smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(/C=C2/SC(=S)N(CN3CCC(C)CC3)C2=O)cc1 ZINC000055195971 214286943 /nfs/dbraw/zinc/28/69/43/214286943.db2.gz TUZOSEVYMKXYNR-LFIBNONCSA-N 0 0 346.521 3.886 50 10 EHCARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(N(C)C)cc2)N3)C1 ZINC000002492914 209858098 /nfs/dbraw/zinc/85/80/98/209858098.db2.gz WJTMEJQKQJALTH-DIFFPNOSSA-N 0 0 341.480 3.793 50 10 EHCARN COc1ccccc1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000031091164 202202341 /nfs/dbraw/zinc/20/23/41/202202341.db2.gz XFSGIYXGCXRMEZ-UHFFFAOYSA-N 0 0 325.412 3.617 50 10 EHCARN CCOc1cc(/C=C2/SC(=S)N(C3CCCC3)C2=O)ccc1O ZINC000033708738 212960468 /nfs/dbraw/zinc/96/04/68/212960468.db2.gz LOTKOXQSNHMBDY-XNTDXEJSSA-N 0 0 349.477 3.935 50 10 EHCARN CN(C)c1ccc(CNc2ncnc3c(-c4ccccc4)noc32)cc1 ZINC000035478677 202305004 /nfs/dbraw/zinc/30/50/04/202305004.db2.gz AJKXCJAIIGQSQV-UHFFFAOYSA-N 0 0 345.406 3.963 50 10 EHCARN O=C(NCc1ccc(Br)cc1O)OCc1ccccc1 ZINC000035287546 202293817 /nfs/dbraw/zinc/29/38/17/202293817.db2.gz WCYLRGVFURSSRN-UHFFFAOYSA-N 0 0 336.185 3.581 50 10 EHCARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000003892425 201360178 /nfs/dbraw/zinc/36/01/78/201360178.db2.gz CDWWJJUGAPQPFT-ZDUSSCGKSA-N 0 0 338.359 3.790 50 10 biogenic EHCARN O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1C1CCCCC1 ZINC000001091462 201498849 /nfs/dbraw/zinc/49/88/49/201498849.db2.gz GSHNXBHHDWKLDN-OQLLNIDSSA-N 0 0 347.461 3.949 50 10 EHCARN O=C(CSc1nnc2c3ccccc3[nH]c2n1)c1ccc(F)cc1 ZINC000006455264 201681788 /nfs/dbraw/zinc/68/17/88/201681788.db2.gz PMUCQMIYCDLIQN-UHFFFAOYSA-N 0 0 338.367 3.620 50 10 EHCARN CCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccc(N2CCCCC2)cc1 ZINC000075572698 203318360 /nfs/dbraw/zinc/31/83/60/203318360.db2.gz SUZWSYYJJQQCJU-IBGZPJMESA-N 0 0 341.499 3.830 50 10 EHCARN O=c1[n-]n2c([nH]c(-c3ccccc3)cc2=O)c1N=Nc1ccccc1F ZINC000103675267 204085172 /nfs/dbraw/zinc/08/51/72/204085172.db2.gz AMGXWYUXHDIXJR-QURGRASLSA-N 0 0 349.325 3.537 50 10 EHCARN CC[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000013745152 535403772 /nfs/dbraw/zinc/40/37/72/535403772.db2.gz IEBADLVMAXTGJA-HXUWFJFHSA-N 0 0 338.451 3.538 50 10 EHCARN CN(C)c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)c(Cl)c1 ZINC000000067850 563214435 /nfs/dbraw/zinc/21/44/35/563214435.db2.gz XXMDHWLNWDAAGB-YBEGLDIGSA-N 0 0 326.783 3.751 50 10 EHCARN O=C1/C(=C/c2ccco2)SC(=S)N1CCOc1ccccc1 ZINC000002445665 563432522 /nfs/dbraw/zinc/43/25/22/563432522.db2.gz FQBPDEGOVHNWTL-KAMYIIQDSA-N 0 0 331.418 3.560 50 10 EHCARN NS(=O)(=O)c1ccc(NN=C2C=CC(=O)c3ccccc32)cc1 ZINC000004543519 563504683 /nfs/dbraw/zinc/50/46/83/563504683.db2.gz DHBWBPLCZRSOBL-VHEBQXMUSA-N 0 0 327.365 3.608 50 10 EHCARN c1c2c(cc3c1CN(CC14CC5CC(CC(C5)C1)C4)CO3)OCO2 ZINC000004909908 563515037 /nfs/dbraw/zinc/51/50/37/563515037.db2.gz YZYVHTKKJGXEKH-UHFFFAOYSA-N 0 0 327.424 3.784 50 10 EHCARN CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(CC)C1=O ZINC000015768582 563791769 /nfs/dbraw/zinc/79/17/69/563791769.db2.gz NTAYAHYIYZZYEP-XYOKQWHBSA-N 0 0 327.858 3.960 50 10 EHCARN CCc1ccc(-c2n[nH]cc2C=C2SC(=S)N(CC)C2=O)cc1 ZINC000017071729 563834987 /nfs/dbraw/zinc/83/49/87/563834987.db2.gz RTLVSKAQYPSQIH-ZROIWOOFSA-N 0 0 343.477 3.860 50 10 EHCARN CN(C)c1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 ZINC000000048455 563970439 /nfs/dbraw/zinc/97/04/39/563970439.db2.gz YSSMZQRRKFLSIW-WJDWOHSUSA-N 0 0 326.783 3.751 50 10 EHCARN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000098009361 563971076 /nfs/dbraw/zinc/97/10/76/563971076.db2.gz CUCNNHDXOSVPAL-BEFAXECRSA-N 0 0 342.395 3.558 50 10 EHCARN Cc1cc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)no1 ZINC000000086531 563975870 /nfs/dbraw/zinc/97/58/70/563975870.db2.gz UGIJXGPDGPQILA-GOSISDBHSA-N 0 0 332.363 3.833 50 10 EHCARN CCc1ccc(N2N=C(C)/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000000134843 563996103 /nfs/dbraw/zinc/99/61/03/563996103.db2.gz YLKSJUQHVOXQJM-YVLHZVERSA-N 0 0 334.375 3.784 50 10 EHCARN O=C(NCc1cccs1)N(Cc1ccco1)Cc1ccccc1O ZINC000044979382 564028028 /nfs/dbraw/zinc/02/80/28/564028028.db2.gz LFRZGTACIPKVQF-UHFFFAOYSA-N 0 0 342.420 3.959 50 10 EHCARN O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21)c1ccn[nH]1 ZINC000048360824 564031413 /nfs/dbraw/zinc/03/14/13/564031413.db2.gz WZFXZOOGMQUEOK-FQEVSTJZSA-N 0 0 343.386 3.788 50 10 EHCARN COc1cccc(C=C2SC(Nc3cccc(C)c3)=NC2=O)c1O ZINC000007163869 564034185 /nfs/dbraw/zinc/03/41/85/564034185.db2.gz VFCFNPHCXGFNPM-GDNBJRDFSA-N 0 0 340.404 3.792 50 10 EHCARN CN(C)c1ccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc1 ZINC000014086299 564112176 /nfs/dbraw/zinc/11/21/76/564112176.db2.gz IYFMHJVLNPQYPE-GDNBJRDFSA-N 0 0 341.461 3.553 50 10 EHCARN Cc1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)ccc1Cl ZINC000003328124 564157376 /nfs/dbraw/zinc/15/73/76/564157376.db2.gz JDOTWEJIUDAJTD-UHFFFAOYSA-N 0 0 332.208 3.808 50 10 EHCARN CN(C)c1ccc(CNC(=O)CCc2nc3ccccc3s2)cc1 ZINC000008171009 564163333 /nfs/dbraw/zinc/16/33/33/564163333.db2.gz JDNFMYYJQKKIHY-UHFFFAOYSA-N 0 0 339.464 3.611 50 10 EHCARN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccs1 ZINC000009846953 564174697 /nfs/dbraw/zinc/17/46/97/564174697.db2.gz SSWZVQSYIQRAMB-PTNGSMBKSA-N 0 0 325.389 3.625 50 10 EHCARN COc1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000012363632 201841314 /nfs/dbraw/zinc/84/13/14/201841314.db2.gz HIVUSBBFSDYUEH-OQLLNIDSSA-N 0 0 337.331 3.893 50 10 EHCARN COc1cccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1O ZINC000013602686 201902803 /nfs/dbraw/zinc/90/28/03/201902803.db2.gz PXFWNEAJPLKPSA-UVTDQMKNSA-N 0 0 349.477 3.935 50 10 EHCARN COc1cc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)ccc1O ZINC000013809741 201916223 /nfs/dbraw/zinc/91/62/23/201916223.db2.gz ZAHCBSGUQIYBJS-OQLLNIDSSA-N 0 0 344.367 3.622 50 10 EHCARN COc1ccc(/C=C2/SC(=S)N(CC(C)C)C2=O)c(OC)c1 ZINC000019891677 202025828 /nfs/dbraw/zinc/02/58/28/202025828.db2.gz QCOBQXGYRMQADS-VGOFMYFVSA-N 0 0 337.466 3.561 50 10 EHCARN O=C(CCc1ccccc1F)NCc1ccc(N2CCCC2)cc1 ZINC000032914703 202241402 /nfs/dbraw/zinc/24/14/02/202241402.db2.gz ZBBCMSJKHVDWID-UHFFFAOYSA-N 0 0 326.415 3.675 50 10 EHCARN O=C(Nc1ccc(F)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000032937675 202244270 /nfs/dbraw/zinc/24/42/70/202244270.db2.gz KJFCEGMNZAQOBR-KRWDZBQOSA-N 0 0 344.386 3.744 50 10 EHCARN CN(C)c1ccc(CNC(=O)c2cnc(-c3ccccc3)s2)cc1 ZINC000036394120 202325153 /nfs/dbraw/zinc/32/51/53/202325153.db2.gz XRDQZZHZAHJZGN-UHFFFAOYSA-N 0 0 337.448 3.806 50 10 EHCARN C[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)c1ccccc1O ZINC000072432564 216227515 /nfs/dbraw/zinc/22/75/15/216227515.db2.gz ZCMFBUKDFVCKKZ-AWEZNQCLSA-N 0 0 327.424 3.587 50 10 EHCARN COc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000004016625 201586777 /nfs/dbraw/zinc/58/67/77/201586777.db2.gz RUUQNDPKAFJWBM-UHFFFAOYSA-N 0 0 345.354 3.920 50 10 EHCARN Cc1ccc(Cl)cc1NC(=O)c1cn(Cc2ccc(N)cc2)cn1 ZINC000071775242 203111929 /nfs/dbraw/zinc/11/19/29/203111929.db2.gz KOBZLCNYWRDFSV-UHFFFAOYSA-N 0 0 340.814 3.728 50 10 EHCARN C[N@H+](Cc1ccccc1)Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3 ZINC000000122782 206372053 /nfs/dbraw/zinc/37/20/53/206372053.db2.gz KRCRLEJHLWTLDE-UHFFFAOYSA-N 0 0 335.403 3.619 50 10 biogenic EHCARN CCC(=O)N[C@H](c1ccccc1OC)c1ccc2cccnc2c1O ZINC000000102606 563226524 /nfs/dbraw/zinc/22/65/24/563226524.db2.gz YNEFSMCIIRWGRL-LJQANCHMSA-N 0 0 336.391 3.565 50 10 EHCARN O=[N+]([O-])c1cc(NCc2cc(Br)ccc2O)ccc1F ZINC000000732336 563362982 /nfs/dbraw/zinc/36/29/82/563362982.db2.gz PAVKOPJNZMQEKA-UHFFFAOYSA-N 0 0 341.136 3.814 50 10 EHCARN CCCCCCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S ZINC000002672933 563445496 /nfs/dbraw/zinc/44/54/96/563445496.db2.gz BGBAKTONJQNQDD-YPKPFQOOSA-N 0 0 346.477 3.790 50 10 EHCARN Nc1c(Oc2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O ZINC000004343638 563500830 /nfs/dbraw/zinc/50/08/30/563500830.db2.gz MHXFWEJMQVIWDH-UHFFFAOYSA-N 0 0 331.327 3.542 50 10 EHCARN CCn1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cn1 ZINC000002797728 563616965 /nfs/dbraw/zinc/61/69/65/563616965.db2.gz LWELLTAUPYOAPK-ZENNRRHLSA-N 0 0 343.477 3.865 50 10 EHCARN COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1O ZINC000013602689 563703563 /nfs/dbraw/zinc/70/35/63/563703563.db2.gz AMYMEJDOXQUFPU-GDNBJRDFSA-N 0 0 349.477 3.935 50 10 EHCARN COc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1O ZINC000013602683 563703665 /nfs/dbraw/zinc/70/36/65/563703665.db2.gz VIYBESIKERATCI-GDNBJRDFSA-N 0 0 349.477 3.935 50 10 EHCARN CCOc1nnc(CSc2ncc(-c3ccccc3)n2C)s1 ZINC000057997399 563936412 /nfs/dbraw/zinc/93/64/12/563936412.db2.gz HUTPOBUGDTVNLR-UHFFFAOYSA-N 0 0 332.454 3.630 50 10 EHCARN CCn1c(C)cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c1C ZINC000033316390 563973647 /nfs/dbraw/zinc/97/36/47/563973647.db2.gz UTBZZRLDHQXSFC-SXGWCWSVSA-N 0 0 343.814 3.876 50 10 EHCARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000100048183 563982304 /nfs/dbraw/zinc/98/23/04/563982304.db2.gz AKQBLOWKUCNKRB-VIZOYTHASA-N 0 0 340.766 3.875 50 10 EHCARN CCN(CC(=O)c1c(C)[nH]c2ccccc21)c1ccc2c(c1)OCO2 ZINC000000545613 564022683 /nfs/dbraw/zinc/02/26/83/564022683.db2.gz UCEYVOLXUJEPBX-UHFFFAOYSA-N 0 0 336.391 3.914 50 10 EHCARN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CC(F)(F)F)cc1 ZINC000083854284 564063867 /nfs/dbraw/zinc/06/38/67/564063867.db2.gz QMCYBBGZZNNADN-UHFFFAOYSA-N 0 0 342.283 3.596 50 10 EHCARN CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc(OC)c1O ZINC000004942462 564093158 /nfs/dbraw/zinc/09/31/58/564093158.db2.gz SZEWRGYCLBCOAU-CYBMUJFWSA-N 0 0 330.409 3.550 50 10 EHCARN O=C1N=C(Nc2cccnc2)SC1=Cc1ccc2ncccc2c1 ZINC000054360789 564093436 /nfs/dbraw/zinc/09/34/36/564093436.db2.gz OGCPDQPXGHRRAQ-YBEGLDIGSA-N 0 0 332.388 3.712 50 10 EHCARN CN(C)c1ccc(CN2CCC[C@H]2c2nc(-c3cccnc3)no2)cc1 ZINC000065286689 564104445 /nfs/dbraw/zinc/10/44/45/564104445.db2.gz PNQCLJHKDVUVGU-SFHVURJKSA-N 0 0 349.438 3.535 50 10 EHCARN Cc1cc(C(=O)N[C@@H](CCO)C(C)(C)C)c(C)n1-c1ccccc1 ZINC000095993446 564144218 /nfs/dbraw/zinc/14/42/18/564144218.db2.gz DXVUEJPUMNDASK-SFHVURJKSA-N 0 0 328.456 3.621 50 10 EHCARN O=C1c2ccccc2N[C@H](c2ccccc2O)N1Cc1cccnc1 ZINC000057771084 564155808 /nfs/dbraw/zinc/15/58/08/564155808.db2.gz ZYMMRBIZXFKDTF-IBGZPJMESA-N 0 0 331.375 3.554 50 10 EHCARN CN(C)c1ccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000008170793 564163331 /nfs/dbraw/zinc/16/33/31/564163331.db2.gz ZVDPEWQMCKTOOB-UHFFFAOYSA-N 0 0 336.357 3.630 50 10 EHCARN O=C1c2ccccc2C(=O)c2c(O)c(Oc3ccccc3)cc(O)c21 ZINC000004976044 1042699746 /nfs/dbraw/zinc/69/97/46/1042699746.db2.gz YWVVRPJWXVQJNX-UHFFFAOYSA-N 0 0 332.311 3.666 50 10 EHCARN CCCN(Cc1ccccc1O)C(=O)c1cncc(Br)c1 ZINC000066096758 1123912713 /nfs/dbraw/zinc/91/27/13/1123912713.db2.gz DEEQJZIJASYXLE-UHFFFAOYSA-N 0 0 349.228 3.602 50 10 EHCARN O=C1C/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1cccc2ccccc21 ZINC000008990921 201765456 /nfs/dbraw/zinc/76/54/56/201765456.db2.gz IBGQYZULISJSTB-XNTDXEJSSA-N 0 0 345.354 3.598 50 10 EHCARN O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1cccc(O)c1 ZINC000012576942 201855775 /nfs/dbraw/zinc/85/57/75/201855775.db2.gz UYNULJAMBFWEFB-ZSOIEALJSA-N 0 0 329.402 3.504 50 10 EHCARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N)cc1 ZINC000019736174 202017247 /nfs/dbraw/zinc/01/72/47/202017247.db2.gz XUBJFRBUNJIINK-VIFPVBQESA-N 0 0 325.195 3.982 50 10 EHCARN Cc1oc2c(ccc([O-])c2C[NH+](C)C)c(=O)c1Oc1ccccc1F ZINC000019883377 202025630 /nfs/dbraw/zinc/02/56/30/202025630.db2.gz FZBLWGJNAGYPIH-UHFFFAOYSA-N 0 0 343.354 3.800 50 10 EHCARN Oc1ccc(Br)cc1C1=NN[C@@H](c2ccccc2F)C1 ZINC000000541574 201358620 /nfs/dbraw/zinc/35/86/20/201358620.db2.gz HZCVZSGLDVPISE-CYBMUJFWSA-N 0 0 335.176 3.733 50 10 EHCARN COc1ccc2c(c1)CCN2Cc1ccc(OCc2nccn2C)cc1 ZINC000058945042 202774760 /nfs/dbraw/zinc/77/47/60/202774760.db2.gz JLBCSLMPKAVXNV-UHFFFAOYSA-N 0 0 349.434 3.570 50 10 EHCARN COC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C ZINC000000044947 201426883 /nfs/dbraw/zinc/42/68/83/201426883.db2.gz RPEBWCAKDVPWSM-CYBMUJFWSA-N 0 0 338.359 3.709 50 10 EHCARN CC(C)c1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)[nH]n1 ZINC000071914175 203148229 /nfs/dbraw/zinc/14/82/29/203148229.db2.gz KXFDAGSEQOMWTF-UHFFFAOYSA-N 0 0 339.395 3.674 50 10 EHCARN C[C@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1ccccc1O ZINC000072410916 203217973 /nfs/dbraw/zinc/21/79/73/203217973.db2.gz KKDNREFLBZHRSJ-AWEZNQCLSA-N 0 0 327.424 3.587 50 10 EHCARN CCN(CC)c1ccc([C@@H]2NN=C(c3ccccc3O)S2)cc1 ZINC000103451033 257868768 /nfs/dbraw/zinc/86/87/68/257868768.db2.gz ZIEYFFFXSJRKHR-QGZVFWFLSA-N 0 0 327.453 3.935 50 10 EHCARN CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S ZINC000001823071 517940740 /nfs/dbraw/zinc/94/07/40/517940740.db2.gz NTTAZTWZXZNSCB-JYRVWZFOSA-N 0 0 346.389 3.686 50 10 EHCARN C[C@H](O[C@@H]1CC(=O)Cc2c(O)c3ccccc3c(O)c21)c1ccccc1 ZINC000252428122 525924121 /nfs/dbraw/zinc/92/41/21/525924121.db2.gz QPZYNQGSSNBJQS-JZOCTASASA-N 0 0 348.398 3.807 50 10 EHCARN COc1cccc(CNc2ccc(Br)cc2F)c1O ZINC000000257137 563267469 /nfs/dbraw/zinc/26/74/69/563267469.db2.gz DLRZFWLWUXYXON-UHFFFAOYSA-N 0 0 326.165 3.915 50 10 EHCARN Cc1ccn2c(c1)c(C(=O)OC(C)C)c1c2C(=O)c2ccccc2C1=O ZINC000002694685 563445903 /nfs/dbraw/zinc/44/59/03/563445903.db2.gz WJMQRRBYCNLMNP-UHFFFAOYSA-N 0 0 347.370 3.588 50 10 biogenic EHCARN COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1O ZINC000013603081 563703523 /nfs/dbraw/zinc/70/35/23/563703523.db2.gz BORAFOMXOZTEDY-DHDCSXOGSA-N 0 0 342.782 3.860 50 10 EHCARN O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1c1ccc(O)cc1 ZINC000016310446 563808203 /nfs/dbraw/zinc/80/82/03/563808203.db2.gz YQSDYUUZZXFCLT-ZROIWOOFSA-N 0 0 329.402 3.504 50 10 EHCARN Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000001208230 563917792 /nfs/dbraw/zinc/91/77/92/563917792.db2.gz VENQLWYJJXDNOD-OQLLNIDSSA-N 0 0 330.384 3.899 50 10 EHCARN C[C@@H](NC(=O)COc1ccccc1F)c1ccc(N2CCCC2)cc1 ZINC000067621378 563962387 /nfs/dbraw/zinc/96/23/87/563962387.db2.gz AQGOYOUTYHPCCW-OAHLLOKOSA-N 0 0 342.414 3.682 50 10 EHCARN CCn1c2ccccc2nc1CN1CCOc2cc(N(C)C)ccc21 ZINC000097143327 563968256 /nfs/dbraw/zinc/96/82/56/563968256.db2.gz UYSYKYLVYHAWOT-UHFFFAOYSA-N 0 0 336.439 3.521 50 10 EHCARN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(N2CCCC2)cc1 ZINC000095218081 563976673 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COc1ccc(N2C(=O)/C(=C\c3ccccc3O)SC2=S)cc1 ZINC000004508937 563743081 /nfs/dbraw/zinc/74/30/81/563743081.db2.gz CXMKIHJMSMWYJS-XNTDXEJSSA-N 0 0 343.429 3.807 50 10 EHCARN C[C@H](O[C@H]1CC(=O)Cc2c(O)c3ccccc3c(O)c21)c1ccccc1 ZINC000018130745 563848929 /nfs/dbraw/zinc/84/89/29/563848929.db2.gz QPZYNQGSSNBJQS-XVVDYKMHSA-N 0 0 348.398 3.807 50 10 EHCARN COc1ccc2c(c1)CCN2Cc1nnc(-c2ccccc2Cl)o1 ZINC000058943328 563947349 /nfs/dbraw/zinc/94/73/49/563947349.db2.gz TWXLFOIKJBRQMU-UHFFFAOYSA-N 0 0 341.798 3.961 50 10 EHCARN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccco1 ZINC000004673553 563963651 /nfs/dbraw/zinc/96/36/51/563963651.db2.gz IRNRNFHDCBLKLJ-BOPFTXTBSA-N 0 0 337.375 3.774 50 10 EHCARN COc1cccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000012537496 564058433 /nfs/dbraw/zinc/05/84/33/564058433.db2.gz MRXWWGODEYKBHU-UHFFFAOYSA-N 0 0 338.451 3.958 50 10 EHCARN COc1ccc(NCN2C(=O)/C(=C/c3ccco3)SC2=S)cc1 ZINC000001307705 564063118 /nfs/dbraw/zinc/06/31/18/564063118.db2.gz HAFNVEJXPANMBI-ZROIWOOFSA-N 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332.816 3.759 50 10 EHCARN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2nncs2)c1 ZINC000021215783 212216401 /nfs/dbraw/zinc/21/64/01/212216401.db2.gz KBWKABCWOOUXNP-UHFFFAOYSA-N 0 0 332.816 3.851 50 10 EHCARN O=C([C@@H]1C[C@H]1c1cccnc1)N(Cc1ccco1)Cc1ccccc1O ZINC000069975212 203068061 /nfs/dbraw/zinc/06/80/61/203068061.db2.gz PPOPCODETVKEFA-RBUKOAKNSA-N 0 0 348.402 3.713 50 10 EHCARN COc1cc(C2=NN(C(C)=O)[C@H](c3ccc(Cl)cc3)C2)ccc1O ZINC000328599417 258041908 /nfs/dbraw/zinc/04/19/08/258041908.db2.gz RQDBLPWVCKPOMK-INIZCTEOSA-N 0 0 344.798 3.752 50 10 EHCARN COCc1ccccc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000101241529 258069085 /nfs/dbraw/zinc/06/90/85/258069085.db2.gz BEXDQCHKGGZULW-UHFFFAOYSA-N 0 0 337.423 3.531 50 10 EHCARN CN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S ZINC000004596657 563505812 /nfs/dbraw/zinc/50/58/12/563505812.db2.gz RFCSAALYIPRRKE-MDWZMJQESA-N 0 0 346.389 3.686 50 10 EHCARN O=C1S/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000005018285 563519064 /nfs/dbraw/zinc/51/90/64/563519064.db2.gz RREMDCBQQJPGGL-ZSOIEALJSA-N 0 0 347.779 3.992 50 10 EHCARN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(F)cc1 ZINC000012413432 563660378 /nfs/dbraw/zinc/66/03/78/563660378.db2.gz RDIJRVDPYHHGIJ-YBEGLDIGSA-N 0 0 331.387 3.544 50 10 EHCARN CN(C)c1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000012534173 563662185 /nfs/dbraw/zinc/66/21/85/563662185.db2.gz VXQGBGAKYBGKCS-GDNBJRDFSA-N 0 0 344.461 3.747 50 10 EHCARN Cc1ccc(C2=C[C@@H](c3ccc(N(C)C)cc3)N3NN=NC3=N2)cc1 ZINC000100572685 563993868 /nfs/dbraw/zinc/99/38/68/563993868.db2.gz IGPQRWQMGLHBLQ-SFHVURJKSA-N 0 0 332.411 3.700 50 10 aggregator EHCARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(O)c1 ZINC000033913199 564000328 /nfs/dbraw/zinc/00/03/28/564000328.db2.gz SKHWGMZDZRHRAR-AQTBWJFISA-N 0 0 349.386 3.660 50 10 EHCARN Cc1c2ccc([O-])c(C[NH+]3CCCC3)c2oc(=O)c1Cc1ccccc1 ZINC000000489426 564017523 /nfs/dbraw/zinc/01/75/23/564017523.db2.gz VZEJWHDAGMTCHS-UHFFFAOYSA-N 0 0 349.430 3.994 50 10 biogenic EHCARN OC1CCN(c2ccc(CNc3nc4ccccc4o3)cc2F)CC1 ZINC000048234524 564030114 /nfs/dbraw/zinc/03/01/14/564030114.db2.gz SFGKUKJZTQDZFX-UHFFFAOYSA-N 0 0 341.386 3.540 50 10 EHCARN O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc21)[C@@H]1CCCO1 ZINC000041978423 564058162 /nfs/dbraw/zinc/05/81/62/564058162.db2.gz PWOLFCUBWWATNE-PZJWPPBQSA-N 0 0 347.414 3.930 50 10 EHCARN CCN1C(=O)C(=Cc2c[nH]nc2-c2ccc(C)cc2)SC1=S ZINC000002112764 564058292 /nfs/dbraw/zinc/05/82/92/564058292.db2.gz DVGQMCROSJJBQF-JYRVWZFOSA-N 0 0 329.450 3.606 50 10 EHCARN Cc1cc(C(=O)CSc2nc[nH]n2)c(C)n1-c1cc(C)cc(C)c1 ZINC000006365851 564085363 /nfs/dbraw/zinc/08/53/63/564085363.db2.gz XSKNBBYAKBAQEZ-UHFFFAOYSA-N 0 0 340.452 3.804 50 10 EHCARN O=C(NCCCSc1nccs1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000095413627 564139702 /nfs/dbraw/zinc/13/97/02/564139702.db2.gz FVQQRUUYAXXNOT-CYBMUJFWSA-N 0 0 336.486 3.500 50 10 EHCARN COc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1Cl ZINC000096125640 564145718 /nfs/dbraw/zinc/14/57/18/564145718.db2.gz JIIPLQKQWRKLSA-UHFFFAOYSA-N 0 0 344.842 3.879 50 10 EHCARN CC(C)c1nc2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2o1 ZINC000008611440 564166069 /nfs/dbraw/zinc/16/60/69/564166069.db2.gz LEHHLFPJYWWYJH-UHFFFAOYSA-N 0 0 337.423 3.947 50 10 EHCARN Cc1ccc(C=C2SC(Nc3ccccc3)=NC2=O)cc1[N+](=O)[O-] ZINC000084190153 1031392309 /nfs/dbraw/zinc/39/23/09/1031392309.db2.gz CNXFSEGKROIYTN-XNTDXEJSSA-N 0 0 339.376 3.986 50 10 EHCARN COc1cccc(C=C2SC(Nc3cccc(C)c3)=NC2=O)c1O ZINC000097990563 219065672 /nfs/dbraw/zinc/06/56/72/219065672.db2.gz VFCFNPHCXGFNPM-XNTDXEJSSA-N 0 0 340.404 3.792 50 10 EHCARN COc1ccccc1/C=C1\SC(=S)N(c2ccc(O)cc2)C1=O ZINC000013712414 201910662 /nfs/dbraw/zinc/91/06/62/201910662.db2.gz XSNFBTYONXKIIL-GDNBJRDFSA-N 0 0 343.429 3.807 50 10 EHCARN COc1ncccc1CNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000030307304 202195416 /nfs/dbraw/zinc/19/54/16/202195416.db2.gz VEOTYOCQQDIINZ-UHFFFAOYSA-N 0 0 349.434 3.736 50 10 EHCARN COc1cccc2cc(/C=C3/SC(=S)N(C4CC4)C3=O)oc21 ZINC000096935917 201377780 /nfs/dbraw/zinc/37/77/80/201377780.db2.gz JVPSIXQSKFAWJJ-MDWZMJQESA-N 0 0 331.418 3.805 50 10 EHCARN Cc1occc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000004903980 201625742 /nfs/dbraw/zinc/62/57/42/201625742.db2.gz GLVZFGUQXYRYLE-UHFFFAOYSA-N 0 0 331.327 3.616 50 10 EHCARN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(F)F ZINC000071759376 203109226 /nfs/dbraw/zinc/10/92/26/203109226.db2.gz UPNKNPDHEMDUNC-YRNVUSSQSA-N 0 0 345.392 3.518 50 10 EHCARN CCCC1=NN2C(=NC(=O)/C(=C/c3c[nH]c4ccccc34)C2=N)S1 ZINC000019949938 212089541 /nfs/dbraw/zinc/08/95/41/212089541.db2.gz ZKXJBIZGCZVYLD-LRVNMVSOSA-N 0 0 337.408 3.587 50 10 EHCARN CCc1ncnc(N(Cc2ccco2)Cc2ccccc2O)c1F ZINC000095985524 203786411 /nfs/dbraw/zinc/78/64/11/203786411.db2.gz FKVCEJWMWSYCOP-UHFFFAOYSA-N 0 0 327.359 3.684 50 10 EHCARN Cc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C1C(=O)C[C@H](C)CC1=N2 ZINC000102602552 204043459 /nfs/dbraw/zinc/04/34/59/204043459.db2.gz ZGJXMEYFMYYBHM-ADLMAVQZSA-N 0 0 337.427 3.570 50 10 EHCARN Cc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000102602557 204042847 /nfs/dbraw/zinc/04/28/47/204042847.db2.gz ZGJXMEYFMYYBHM-BBATYDOGSA-N 0 0 337.427 3.570 50 10 EHCARN CCOC(=O)CSC1=NC(=O)/C(=C/c2ccc(Cl)cc2)S1 ZINC000000062426 205399425 /nfs/dbraw/zinc/39/94/25/205399425.db2.gz ZAKMNXNKYSLRSY-XFFZJAGNSA-N 0 0 341.841 3.607 50 10 EHCARN COC[C@@H](C)NC(=O)/C=C\c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000096943374 218904207 /nfs/dbraw/zinc/90/42/07/218904207.db2.gz WUNUSYZRZGZPNT-MEODZPNASA-N 0 0 326.440 3.567 50 10 EHCARN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccco1 ZINC000000199283 563258401 /nfs/dbraw/zinc/25/84/01/563258401.db2.gz WLNQFJPCYIRUTP-RAXLEYEMSA-N 0 0 343.766 3.810 50 10 EHCARN CC(C)Oc1ccccc1C=C1C(=O)OC(c2ccccc2)OC1=O ZINC000000360968 563293797 /nfs/dbraw/zinc/29/37/97/563293797.db2.gz VUTOMVBHMLAVMT-UHFFFAOYSA-N 0 0 338.359 3.656 50 10 EHCARN Cc1ccc([C@@H]2C[C@H](c3ccc(N(C)C)cc3)Nc3ncnn32)cc1 ZINC000000408817 563307740 /nfs/dbraw/zinc/30/77/40/563307740.db2.gz BFBJXIGZPJPFAT-MOPGFXCFSA-N 0 0 333.439 3.799 50 10 EHCARN CCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O ZINC000003894222 563490530 /nfs/dbraw/zinc/49/05/30/563490530.db2.gz YOCJYBMQWMFFSG-IBGZPJMESA-N 0 0 349.434 3.622 50 10 biogenic EHCARN CCOc1c(/C=C2\C(=O)N(c3ccccc3)N=C2C)cccc1OC ZINC000015658908 563789564 /nfs/dbraw/zinc/78/95/64/563789564.db2.gz OTFUDDXYSXCGFI-LGMDPLHJSA-N 0 0 336.391 3.900 50 10 EHCARN CC(C)c1noc([C@H]2CCCCN2Cc2ccc(N(C)C)cc2)n1 ZINC000065286185 563845052 /nfs/dbraw/zinc/84/50/52/563845052.db2.gz CFYNLGWZGRWEKM-QGZVFWFLSA-N 0 0 328.460 3.986 50 10 EHCARN COC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCC3 ZINC000004994391 563993692 /nfs/dbraw/zinc/99/36/92/563993692.db2.gz SSQPBHIVJDMSBT-UHFFFAOYSA-N 0 0 330.434 3.882 50 10 EHCARN COc1ccc2c(c1)CCCN2Cc1nc(Cc2ccccc2)no1 ZINC000047406804 564026261 /nfs/dbraw/zinc/02/62/61/564026261.db2.gz DIMWVLQRQQYSRP-UHFFFAOYSA-N 0 0 335.407 3.622 50 10 EHCARN CN(C)P(=NN=Nc1nc2ccccc2s1)(N(C)C)N(C)C ZINC000263621590 564062987 /nfs/dbraw/zinc/06/29/87/564062987.db2.gz QUSDOKRWEQTRBX-UHFFFAOYSA-N 0 0 339.409 3.926 50 10 EHCARN Cc1ccc(/C=C2\SC(=S)N(CN3CCC(C)CC3)C2=O)cc1 ZINC000057218365 564153404 /nfs/dbraw/zinc/15/34/04/564153404.db2.gz TUZOSEVYMKXYNR-WJDWOHSUSA-N 0 0 346.521 3.886 50 10 EHCARN CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)cc1 ZINC000067140907 564165148 /nfs/dbraw/zinc/16/51/48/564165148.db2.gz VCMSEBFJEXFQAK-RTBURBONSA-N 0 0 326.415 3.654 50 10 EHCARN Cc1n[nH]c(C)c1C=C1SC(Nc2ccc(C)cc2C)=NC1=O ZINC000104350412 1139208842 /nfs/dbraw/zinc/20/88/42/1139208842.db2.gz BEVXCIQGQVZWMC-OVCLIPMQSA-N 0 0 326.425 3.726 50 10 EHCARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNNc1ccc(Cl)cc1 ZINC000016292692 201974622 /nfs/dbraw/zinc/97/46/22/201974622.db2.gz YJMRNBHGBANGSF-GZTJUZNOSA-N 0 0 340.814 3.872 50 10 EHCARN COc1ccc2nc(C)c(C(=O)NCc3ccc(N(C)C)cc3)cc2c1 ZINC000028669524 202175561 /nfs/dbraw/zinc/17/55/61/202175561.db2.gz SBAWOVNGOPFHLI-UHFFFAOYSA-N 0 0 349.434 3.548 50 10 EHCARN O=C1N=C(Nc2ccc(F)cc2)SC1=Cc1ccc([N+](=O)[O-])cc1 ZINC000000101371 201434527 /nfs/dbraw/zinc/43/45/27/201434527.db2.gz WRTUBJZHGQTRHY-NTEUORMPSA-N 0 0 343.339 3.816 50 10 EHCARN CC1(C)OC(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)O1 ZINC000000118128 201437152 /nfs/dbraw/zinc/43/71/52/201437152.db2.gz MGALVKDFKLRRQV-UHFFFAOYSA-N 0 0 332.739 3.820 50 10 EHCARN COc1ccccc1N[C@H]1SC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000005013307 201633526 /nfs/dbraw/zinc/63/35/26/201633526.db2.gz BMOCOBUOZULINC-INIZCTEOSA-N 0 0 342.420 3.950 50 10 EHCARN c1cc(OC[C@H]2CO2)ccc1N=Nc1ccc(OC[C@@H]2CO2)cc1 ZINC000254293725 244043799 /nfs/dbraw/zinc/04/37/99/244043799.db2.gz ZXKWAVIXAFUNSC-HDICACEKSA-N 0 0 326.352 3.657 50 10 EHCARN COc1ccc(N(Cc2nnc(C3CC3)n2C)[C@H](C)C2CC2)cc1 ZINC000071897153 203141916 /nfs/dbraw/zinc/14/19/16/203141916.db2.gz AFEUJQQTAIGZDD-CYBMUJFWSA-N 0 0 326.444 3.506 50 10 EHCARN Oc1ccccc1CNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000071909837 203147593 /nfs/dbraw/zinc/14/75/93/203147593.db2.gz ZVGJDWYTEFCJEM-UHFFFAOYSA-N 0 0 346.312 3.875 50 10 EHCARN CCOC(=O)c1ccc(NC(=O)/C=C\c2ccc(N(C)C)cc2)cc1 ZINC000016192498 211889183 /nfs/dbraw/zinc/88/91/83/211889183.db2.gz MFBCLEANLCTAST-AUWJEWJLSA-N 0 0 338.407 3.581 50 10 EHCARN CC(=O)N[C@H](c1cccs1)c1cc(Cl)c2cccnc2c1O ZINC000000087281 205399970 /nfs/dbraw/zinc/39/99/70/205399970.db2.gz UZLBHGBBHNHZNS-AWEZNQCLSA-N 0 0 332.812 3.881 50 10 EHCARN CCOC(=O)CN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S ZINC000001277097 205576024 /nfs/dbraw/zinc/57/60/24/205576024.db2.gz LEXFSEUWUFLHNX-ZROIWOOFSA-N 0 0 349.477 3.574 50 10 EHCARN CN(C)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000000975749 206257928 /nfs/dbraw/zinc/25/79/28/206257928.db2.gz WNSQESNFRTWKIT-SFQUDFHCSA-N 0 0 338.432 3.989 50 10 EHCARN Cc1cc(C)cc(Oc2coc3c(ccc([O-])c3C[NH+](C)C)c2=O)c1 ZINC000000037964 563212176 /nfs/dbraw/zinc/21/21/76/563212176.db2.gz QIEBLBCTPZCVSW-UHFFFAOYSA-N 0 0 339.391 3.969 50 10 EHCARN CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3 ZINC000000118318 563233429 /nfs/dbraw/zinc/23/34/29/563233429.db2.gz PMEIWKNMSSSUFB-CYBMUJFWSA-N 0 0 327.424 3.752 50 10 EHCARN COc1cc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)ccc1O ZINC000000257231 563267392 /nfs/dbraw/zinc/26/73/92/563267392.db2.gz SYMWDHQZCMAQBC-YBEGLDIGSA-N 0 0 325.389 3.770 50 10 EHCARN CCC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(N(C)C)cc1 ZINC000000613627 563356411 /nfs/dbraw/zinc/35/64/11/563356411.db2.gz NOBALSNSCSXDIN-IBGZPJMESA-N 0 0 339.414 3.979 50 10 EHCARN Cc1ccc(Cl)cc1NC(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C ZINC000002172643 563425190 /nfs/dbraw/zinc/42/51/90/563425190.db2.gz YRMORVHTSHLNBQ-ZWKOTPCHSA-N 0 0 333.815 3.551 50 10 EHCARN CCCOc1c(Cl)cc(C=C2SC(=S)NC2=O)cc1OC ZINC000002824554 563452900 /nfs/dbraw/zinc/45/29/00/563452900.db2.gz XBZSTWMMGOEFLB-YRNVUSSQSA-N 0 0 343.857 3.626 50 10 EHCARN CCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O ZINC000003894223 563490605 /nfs/dbraw/zinc/49/06/05/563490605.db2.gz YOCJYBMQWMFFSG-LJQANCHMSA-N 0 0 349.434 3.622 50 10 biogenic EHCARN O=c1oc2c(ccc([O-])c2C[NH+]2CCCCC2)c2c1CCCCC2 ZINC000005025772 563519355 /nfs/dbraw/zinc/51/93/55/563519355.db2.gz GGUZEBCHMIFFJH-UHFFFAOYSA-N 0 0 327.424 3.753 50 10 EHCARN CCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cccc(OC)c1O ZINC000006702831 563580818 /nfs/dbraw/zinc/58/08/18/563580818.db2.gz RMCTWUIJPWTKFC-KRWDZBQOSA-N 0 0 338.407 3.797 50 10 EHCARN O=C1NC(=S)S/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 ZINC000012339385 563658582 /nfs/dbraw/zinc/65/85/82/563658582.db2.gz IKXPGAWCZJDQMZ-DHDCSXOGSA-N 0 0 345.420 3.894 50 10 EHCARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccccc1C ZINC000016193343 563805605 /nfs/dbraw/zinc/80/56/05/563805605.db2.gz JBCJRICBTDVNFJ-DHDCSXOGSA-N 0 0 328.462 3.891 50 10 EHCARN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1ccncc1 ZINC000072289641 563908722 /nfs/dbraw/zinc/90/87/22/563908722.db2.gz GZURRWPBFQRWOC-MRXNPFEDSA-N 0 0 340.471 3.829 50 10 EHCARN Cc1cc(C(=O)CSc2cnccn2)c(C)n1-c1cccc(F)c1 ZINC000072298278 563912270 /nfs/dbraw/zinc/91/22/70/563912270.db2.gz OZNFLHMVIMCAAJ-UHFFFAOYSA-N 0 0 341.411 3.998 50 10 EHCARN CSCC[C@H]1c2[nH]cnc2CCN1Cc1cc(Cl)ccc1O ZINC000067692054 563962527 /nfs/dbraw/zinc/96/25/27/563962527.db2.gz NEAJHXCBUHKAAH-AWEZNQCLSA-N 0 0 337.876 3.621 50 10 EHCARN O=C(Cc1cccc(Cl)c1)NCc1ccc(N2CCCC2)cc1 ZINC000067906715 563963025 /nfs/dbraw/zinc/96/30/25/563963025.db2.gz AZNZGWMAEYYIQP-UHFFFAOYSA-N 0 0 328.843 3.799 50 10 EHCARN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000098009359 563971087 /nfs/dbraw/zinc/97/10/87/563971087.db2.gz CUCNNHDXOSVPAL-KXBFYZLASA-N 0 0 342.395 3.558 50 10 EHCARN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNC1CCCCCC1 ZINC000100149068 563982383 /nfs/dbraw/zinc/98/23/83/563982383.db2.gz WFDBJWXQBAFXKA-ATVHPVEESA-N 0 0 342.399 3.514 50 10 EHCARN CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(C)o3)C2=O)cc1 ZINC000005150671 563994725 /nfs/dbraw/zinc/99/47/25/563994725.db2.gz RRNWQXVUTKCTLK-BOPFTXTBSA-N 0 0 338.363 3.571 50 10 EHCARN O=C1c2ccc3nsnc3c2C(=O)c2c(Cl)ccc(Cl)c21 ZINC000005514172 564004927 /nfs/dbraw/zinc/00/49/27/564004927.db2.gz JPLUJCYVKDPSFJ-UHFFFAOYSA-N 0 0 335.171 3.774 50 10 EHCARN CC1=NN(c2ccccc2)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000101421482 564019438 /nfs/dbraw/zinc/01/94/38/564019438.db2.gz BYAJMWGQNVIFOI-DGRUYDBLSA-N 0 0 333.347 3.957 50 10 EHCARN Cc1cc(C(=O)[C@@H](C)Sc2nncn2C)c(C)n1-c1ccccc1 ZINC000005711404 564020706 /nfs/dbraw/zinc/02/07/06/564020706.db2.gz MATACIJGNLXHRX-CQSZACIVSA-N 0 0 340.452 3.586 50 10 EHCARN Cc1ccc(C2=NN[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000000568192 564023541 /nfs/dbraw/zinc/02/35/41/564023541.db2.gz WWUJLQOIOLIXCP-OAHLLOKOSA-N 0 0 331.213 3.902 50 10 EHCARN Cc1ccccc1-n1ccnc1SCC(=O)c1ccc(O)c(O)c1 ZINC000045528141 564028506 /nfs/dbraw/zinc/02/85/06/564028506.db2.gz GASIJOMXDCJPHW-UHFFFAOYSA-N 0 0 340.404 3.567 50 10 EHCARN O=C1NC(=S)S/C1=C\c1ccccc1OCc1ccccc1 ZINC000001083951 564054347 /nfs/dbraw/zinc/05/43/47/564054347.db2.gz MWUFOKSMESXRKW-GDNBJRDFSA-N 0 0 327.430 3.754 50 10 EHCARN COc1cc(Br)cc(CN2CCc3ccccc3C2)c1O ZINC000019634430 564077434 /nfs/dbraw/zinc/07/74/34/564077434.db2.gz KSTXHQWIVLIAMK-UHFFFAOYSA-N 0 0 348.240 3.722 50 10 EHCARN C[C@H](O[C@@H]1CC(=O)Cc2c(O)c3ccccc3c(O)c21)c1ccccc1 ZINC000252428121 564089388 /nfs/dbraw/zinc/08/93/88/564089388.db2.gz QPZYNQGSSNBJQS-BBLUDWJGSA-N 0 0 348.398 3.807 50 10 EHCARN C[C@H]1Oc2ccccc2C=C1C=C1SC(Nc2ccccn2)=NC1=O ZINC000054361096 564093433 /nfs/dbraw/zinc/09/34/33/564093433.db2.gz JRGLBLRFMOHYNE-COOUDCDJSA-N 0 0 349.415 3.871 50 10 EHCARN O=C(Nc1nncs1)N(Cc1ccccc1O)C1CCCCC1 ZINC000065562503 564107619 /nfs/dbraw/zinc/10/76/19/564107619.db2.gz MTSFNJVXRRNULY-UHFFFAOYSA-N 0 0 332.429 3.611 50 10 EHCARN Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2C)n1 ZINC000007423164 564108329 /nfs/dbraw/zinc/10/83/29/564108329.db2.gz CLHGDJZMZNUBMI-UHFFFAOYSA-N 0 0 344.465 3.583 50 10 EHCARN CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1C)c1c(C)noc1C ZINC000095441326 564140508 /nfs/dbraw/zinc/14/05/08/564140508.db2.gz KCJOUQMOCUDRPJ-KRWDZBQOSA-N 0 0 344.459 3.616 50 10 EHCARN CCO[C@H](C)c1nc(CC(=O)N[C@H](CC)c2ccccc2O)cs1 ZINC000096409667 564147575 /nfs/dbraw/zinc/14/75/75/564147575.db2.gz COTVSFDBHFAZPN-IUODEOHRSA-N 0 0 348.468 3.756 50 10 EHCARN Cc1cc(C(=O)CSc2ncccn2)c(C)n1-c1cccc(F)c1 ZINC000003474898 564158333 /nfs/dbraw/zinc/15/83/33/564158333.db2.gz GQIORGDPAKCSGV-UHFFFAOYSA-N 0 0 341.411 3.998 50 10 EHCARN O=C1C(=CNc2ccccc2)SC(=S)N1c1ccc(O)cc1 ZINC000004109179 564160579 /nfs/dbraw/zinc/16/05/79/564160579.db2.gz DDPRSKGVKKJKCC-GXDHUFHOSA-N 0 0 328.418 3.710 50 10 EHCARN CCOc1ccccc1NC1=NC(=O)C(=Cc2cccnc2)S1 ZINC000008659587 564166243 /nfs/dbraw/zinc/16/62/43/564166243.db2.gz UUHIGWSHIXNYJH-GDNBJRDFSA-N 0 0 325.393 3.563 50 10 EHCARN CN(C)c1ccc(CNC(=O)[C@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000040156169 564168419 /nfs/dbraw/zinc/16/84/19/564168419.db2.gz YAAMZEPZCRRSNK-PMACEKPBSA-N 0 0 338.451 3.537 50 10 EHCARN Cc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2C)cc1 ZINC000010347265 564175342 /nfs/dbraw/zinc/17/53/42/564175342.db2.gz NRZIQPBIGZCYKC-UHFFFAOYSA-N 0 0 329.469 3.500 50 10 EHCARN Cc1[nH]c2ccccc2c1C=C1C(=O)OC(c2ccccc2)OC1=O ZINC000008705525 201756680 /nfs/dbraw/zinc/75/66/80/201756680.db2.gz KTQVPZCGOVDANY-UHFFFAOYSA-N 0 0 333.343 3.659 50 10 EHCARN CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@H]2[C@@H]1c1ccccc1 ZINC000019530260 202009903 /nfs/dbraw/zinc/00/99/03/202009903.db2.gz YBYSZNOMGYWBBK-MOPGFXCFSA-N 0 0 345.398 3.923 50 10 EHCARN CC1CC[NH+](Cc2c([O-])c(Cl)cc3c4c(c(=O)oc32)CCC4)CC1 ZINC000020149640 202034224 /nfs/dbraw/zinc/03/42/24/202034224.db2.gz MKNNUMWWIGUASK-UHFFFAOYSA-N 0 0 347.842 3.873 50 10 EHCARN O=c1oc2c(ccc([O-])c2C[NH2+]CCc2ccccc2)c2c1CCCC2 ZINC000020590434 202050568 /nfs/dbraw/zinc/05/05/68/202050568.db2.gz ZECNBLRWGVYPCW-UHFFFAOYSA-N 0 0 349.430 3.710 50 10 EHCARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nccs1 ZINC000032932270 202244129 /nfs/dbraw/zinc/24/41/29/202244129.db2.gz FDAWUDHXNFBPOE-UHFFFAOYSA-N 0 0 344.465 3.676 50 10 EHCARN O=C1/C(=C/c2ccco2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000033924053 202271437 /nfs/dbraw/zinc/27/14/37/202271437.db2.gz HCLXDURHBGFPJF-WQLSENKSSA-N 0 0 332.362 3.594 50 10 EHCARN COc1ccc(N2CCC(NC(=O)c3ccccc3Cl)CC2)cc1 ZINC000069698375 203036737 /nfs/dbraw/zinc/03/67/37/203036737.db2.gz QWMUQNBKWYHGJT-UHFFFAOYSA-N 0 0 344.842 3.747 50 10 EHCARN Cc1cc2n(n1)[C@H](c1ccc(N3CCOCC3)cc1)Nc1ccccc1-2 ZINC000000817693 135653188 /nfs/dbraw/zinc/65/31/88/135653188.db2.gz GIBTVDYQSXKVEV-OAQYLSRUSA-N 0 0 346.434 3.668 50 10 EHCARN COc1ccc(N2CCN(C(=O)Nc3ccc(C)cc3C)CC2)cc1 ZINC000006698792 536686557 /nfs/dbraw/zinc/68/65/57/536686557.db2.gz NUKCPVGIJPQTSB-UHFFFAOYSA-N 0 0 339.439 3.666 50 10 EHCARN CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC ZINC000000063805 563214093 /nfs/dbraw/zinc/21/40/93/563214093.db2.gz VHCCFCNOELPFCN-SFQUDFHCSA-N 0 0 336.391 3.900 50 10 EHCARN CCN(CC)c1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000000199198 563258384 /nfs/dbraw/zinc/25/83/84/563258384.db2.gz AVBLEQIAZGVXDA-NBVRZTHBSA-N 0 0 335.407 3.630 50 10 EHCARN CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=S ZINC000001133414 563375962 /nfs/dbraw/zinc/37/59/62/563375962.db2.gz VHEDNPRVOXYLPL-PTNGSMBKSA-N 0 0 332.494 3.816 50 10 EHCARN CN(C)c1ccc(C=C2SC(Nc3ccc(O)cc3)=NC2=O)cc1 ZINC000016770040 563822853 /nfs/dbraw/zinc/82/28/53/563822853.db2.gz JWEILOGFOMOOHH-WJDWOHSUSA-N 0 0 339.420 3.541 50 10 EHCARN NC(=O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 ZINC000004725826 563966330 /nfs/dbraw/zinc/96/63/30/563966330.db2.gz ULMBGXXVZASLBH-GRDNDAEWSA-N 0 0 335.363 3.520 50 10 EHCARN Cc1cc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)no1 ZINC000000086516 563975888 /nfs/dbraw/zinc/97/58/88/563975888.db2.gz UGIJXGPDGPQILA-SFHVURJKSA-N 0 0 332.363 3.833 50 10 EHCARN Cc1c(Cl)cccc1NC(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C ZINC000005307539 564002479 /nfs/dbraw/zinc/00/24/79/564002479.db2.gz COMNFOBKYUYLFR-ZWKOTPCHSA-N 0 0 333.815 3.551 50 10 EHCARN COc1cc2c(cc1OC)CN(Cc1cc(Cl)ccc1O)CC2 ZINC000004987727 564013941 /nfs/dbraw/zinc/01/39/41/564013941.db2.gz CLDVXNJVCMMRDH-UHFFFAOYSA-N 0 0 333.815 3.621 50 10 EHCARN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccs1 ZINC000005825928 564056586 /nfs/dbraw/zinc/05/65/86/564056586.db2.gz FSZZSXFGKSVCJP-XNTDXEJSSA-N 0 0 343.379 3.764 50 10 EHCARN Cc1cc(C(=O)N[C@@H]2CCc3ccccc32)c(C)n1-c1ccccn1 ZINC000073744384 564062006 /nfs/dbraw/zinc/06/20/06/564062006.db2.gz AWDRFHCSBNYIDJ-LJQANCHMSA-N 0 0 331.419 3.906 50 10 EHCARN O=C(c1cccs1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O ZINC000004292074 564071128 /nfs/dbraw/zinc/07/11/28/564071128.db2.gz FZEFXBSMKLLKED-MRXNPFEDSA-N 0 0 349.415 3.840 50 10 EHCARN O=C(c1cccs1)N1N=C(c2ccncc2)C[C@H]1c1ccccc1O ZINC000006227188 564083092 /nfs/dbraw/zinc/08/30/92/564083092.db2.gz YFAKTJFYONNTDS-INIZCTEOSA-N 0 0 349.415 3.840 50 10 EHCARN Cc1cc(C(=O)COC(=O)C2CCC2)c(C)n1-c1ccccc1F ZINC000006639354 564094897 /nfs/dbraw/zinc/09/48/97/564094897.db2.gz XKZGSPJCTHIZPW-UHFFFAOYSA-N 0 0 329.371 3.759 50 10 EHCARN Cc1cc(C(=O)CN2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000020962699 564141890 /nfs/dbraw/zinc/14/18/90/564141890.db2.gz GKAOTGOAWNLDCV-HUUCEWRRSA-N 0 0 344.430 3.525 50 10 EHCARN O=C(c1cccs1)N1N=C(c2ccccc2O)C[C@H]1c1ccncc1 ZINC000097165248 564149497 /nfs/dbraw/zinc/14/94/97/564149497.db2.gz LYYWUXBMYLAADJ-INIZCTEOSA-N 0 0 349.415 3.840 50 10 EHCARN O=C1Nc2ccccc2[C@@]12NN=C(c1cccc3ccccc31)S2 ZINC000670433375 564156489 /nfs/dbraw/zinc/15/64/89/564156489.db2.gz SEFITSHHMJOSGO-IBGZPJMESA-N 0 0 331.400 3.643 50 10 EHCARN Cc1cc(CC(=O)NC2=NCCS2)c(C)n1-c1ccc(Cl)cc1 ZINC000009466026 564173782 /nfs/dbraw/zinc/17/37/82/564173782.db2.gz HKWSPIKSYJUJLI-UHFFFAOYSA-N 0 0 347.871 3.509 50 10 EHCARN CN(C)c1ccc(/C=C/C(=O)Nc2cc(F)c(N(C)C)c(F)c2)cc1 ZINC000058415830 214579845 /nfs/dbraw/zinc/57/98/45/214579845.db2.gz JBLRURCLKOSEPH-JXMROGBWSA-N 0 0 345.393 3.749 50 10 EHCARN COCCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S ZINC000014199982 201932659 /nfs/dbraw/zinc/93/26/59/201932659.db2.gz IBAHWMXWAQHORJ-JXMROGBWSA-N 0 0 348.276 3.841 50 10 EHCARN Oc1c([C@H](c2ccc(F)cc2)N2CCOCC2)ccc2cccnc21 ZINC000019902436 202025438 /nfs/dbraw/zinc/02/54/38/202025438.db2.gz WUUASRHRNXRJTE-IBGZPJMESA-N 0 0 338.382 3.501 50 10 EHCARN Cc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000040123026 202171078 /nfs/dbraw/zinc/17/10/78/202171078.db2.gz OQXVDNPQPRTWRO-SFHVURJKSA-N 0 0 340.423 3.914 50 10 EHCARN O=C1N=C(NC2CCCCC2)SC1=CC1=Cc2ccccc2OC1 ZINC000096401406 201376716 /nfs/dbraw/zinc/37/67/16/201376716.db2.gz FMJFWNVYLXYEAN-BOPFTXTBSA-N 0 0 340.448 3.898 50 10 EHCARN O=C1/C(=C\c2cc(F)ccc2F)SC(=S)N1c1cccnc1 ZINC000097147325 201379315 /nfs/dbraw/zinc/37/93/15/201379315.db2.gz LIVSIJPLJOHYCN-NTUHNPAUSA-N 0 0 334.372 3.766 50 10 EHCARN COc1ccccc1N1C(=O)/C(=C/c2cccc(O)c2)SC1=S ZINC000001220186 201499864 /nfs/dbraw/zinc/49/98/64/201499864.db2.gz OYMHYMSUOIKKGR-GDNBJRDFSA-N 0 0 343.429 3.807 50 10 EHCARN CCCCN1C(=O)/C(=C/N(C(C)=O)c2ccccc2)SC1=S ZINC000003152410 201558414 /nfs/dbraw/zinc/55/84/14/201558414.db2.gz QOAVHCZTNQQAIK-KAMYIIQDSA-N 0 0 334.466 3.541 50 10 EHCARN CC(NC(C)(C)C)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000100422650 203993897 /nfs/dbraw/zinc/99/38/97/203993897.db2.gz PRELEAPMNHLJTD-UVTDQMKNSA-N 0 0 328.441 3.681 50 10 EHCARN COc1cc(C2=NN(C(C)=O)[C@@H](c3ccc(Cl)cc3)C2)ccc1O ZINC000328599418 258041675 /nfs/dbraw/zinc/04/16/75/258041675.db2.gz RQDBLPWVCKPOMK-MRXNPFEDSA-N 0 0 344.798 3.752 50 10 EHCARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc2nonc2c1 ZINC000000170330 563250871 /nfs/dbraw/zinc/25/08/71/563250871.db2.gz GKTGKFFYUJWQTO-UHFFFAOYSA-N 0 0 325.202 3.942 50 10 EHCARN CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccn3)c2C)C1=O ZINC000004688002 563507612 /nfs/dbraw/zinc/50/76/12/563507612.db2.gz VFBHDUIGFYCUKA-GXDHUFHOSA-N 0 0 327.409 3.545 50 10 EHCARN COc1ccc(-c2ccc(C=C3SC(N)=NC3=O)o2)cc1Cl ZINC000006230728 563561736 /nfs/dbraw/zinc/56/17/36/563561736.db2.gz MFAQCRIMOAWXOS-NTUHNPAUSA-N 0 0 334.784 3.538 50 10 EHCARN CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCSCC1 ZINC000013126340 563689663 /nfs/dbraw/zinc/68/96/63/563689663.db2.gz HBMNUHXPDAGUEP-VHEBQXMUSA-N 0 0 336.392 3.531 50 10 EHCARN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(C)cc1 ZINC000013562282 563701714 /nfs/dbraw/zinc/70/17/14/563701714.db2.gz HIHLZVWLSNKGHF-BOPFTXTBSA-N 0 0 327.424 3.714 50 10 EHCARN O=c1nc(-c2ccc(O)c(O)c2)[nH]c2sc(-c3ccccc3)cc21 ZINC000014184059 563747727 /nfs/dbraw/zinc/74/77/27/563747727.db2.gz DPHCHXYGMOWQRH-UHFFFAOYSA-N 0 0 336.372 3.730 50 10 EHCARN C[C@@H](CCc1ccccc1)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000017116307 563837251 /nfs/dbraw/zinc/83/72/51/563837251.db2.gz FQHOJRGGRJZTQQ-KRWDZBQOSA-N 0 0 339.483 3.915 50 10 EHCARN COc1cc(/C=C2/C=C(c3ccccc3)OC2=O)cc(OC)c1OC ZINC000013590724 563930647 /nfs/dbraw/zinc/93/06/47/563930647.db2.gz CBLVQBMXXKVHBY-DHDCSXOGSA-N 0 0 338.359 3.694 50 10 EHCARN O=C(Cc1ccc(F)cc1)NCc1ccc(N2CCCCC2)cc1 ZINC000049740473 563931412 /nfs/dbraw/zinc/93/14/12/563931412.db2.gz YVKYXEYOIGFTDH-UHFFFAOYSA-N 0 0 326.415 3.675 50 10 EHCARN CN(C)c1ccc([C@H]2C[C@H](c3cccs3)Nc3ncnn32)cc1 ZINC000000080798 563974771 /nfs/dbraw/zinc/97/47/71/563974771.db2.gz 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CCN1C(=O)/C(=C/c2cc(C)n(CC(F)(F)F)c2C)SC1=S ZINC000003190689 1138081664 /nfs/dbraw/zinc/08/16/64/1138081664.db2.gz SRIQAECPGTTXLZ-WDZFZDKYSA-N 0 0 348.415 3.888 50 10 EHCARN CC(=O)c1cccc(N2C(=O)C(=Cc3cccnc3)SC2=S)c1 ZINC000004193742 210143219 /nfs/dbraw/zinc/14/32/19/210143219.db2.gz RNDJTMUUGDDXEU-NVNXTCNLSA-N 0 0 340.429 3.690 50 10 EHCARN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000000068626 201429549 /nfs/dbraw/zinc/42/95/49/201429549.db2.gz URFTYQCGYIEEIK-DHDCSXOGSA-N 0 0 333.815 3.669 50 10 EHCARN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cccs1 ZINC000000118638 201437293 /nfs/dbraw/zinc/43/72/93/201437293.db2.gz DZKZKZMNBHKIBN-PTNGSMBKSA-N 0 0 331.437 3.753 50 10 EHCARN COc1ccccc1N[C@@H]1SC(=O)N(c2ccc(C)cc2)C1=O ZINC000001318632 201502882 /nfs/dbraw/zinc/50/28/82/201502882.db2.gz IHMDDBNXKMBZQK-OAHLLOKOSA-N 0 0 328.393 3.642 50 10 EHCARN O=C(CSc1nnc2c(n1)[nH]c1ccccc12)c1cccs1 ZINC000006455266 201681467 /nfs/dbraw/zinc/68/14/67/201681467.db2.gz XNLRPHVWHNDDNM-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/55/62/22/563556222.db2.gz XQXMCOYUEBINSR-ZROIWOOFSA-N 0 0 325.324 3.611 50 10 EHCARN CC1=CC2=NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C(=N)N2O1 ZINC000004472788 563728388 /nfs/dbraw/zinc/72/83/88/563728388.db2.gz QOPADCBGWAWBCM-FMVWKBIMSA-N 0 0 337.310 3.536 50 10 EHCARN COc1cccc(O)c1CN1Cc2cc(Cl)ccc2O[C@H](C)C1 ZINC000014990142 563770561 /nfs/dbraw/zinc/77/05/61/563770561.db2.gz UTRTZRDUOPOLSD-GFCCVEGCSA-N 0 0 333.815 3.837 50 10 EHCARN CC(C)c1noc([C@@H]2CCCCN2Cc2ccc(N(C)C)cc2)n1 ZINC000065286182 563845222 /nfs/dbraw/zinc/84/52/22/563845222.db2.gz CFYNLGWZGRWEKM-KRWDZBQOSA-N 0 0 328.460 3.986 50 10 EHCARN CC(=O)N1CCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC000023281228 563918457 /nfs/dbraw/zinc/91/84/57/563918457.db2.gz IGVGSMOZBAFBOI-UHFFFAOYSA-N 0 0 346.515 3.651 50 10 EHCARN NC1=NN(c2ccccc2)C(=O)C1=Cc1c(Cl)cccc1Cl ZINC000072332471 563936195 /nfs/dbraw/zinc/93/61/95/563936195.db2.gz DDNDMBVVURVXBI-XFXZXTDPSA-N 0 0 332.190 3.696 50 10 EHCARN CCOc1ccc(/C=C2/SC(N3CCC(C)CC3)=NC2=O)cc1 ZINC000000066425 563971751 /nfs/dbraw/zinc/97/17/51/563971751.db2.gz VBNYWXIOWVJZMD-FOWTUZBSSA-N 0 0 330.453 3.788 50 10 EHCARN Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(C)cc1[N+](=O)[O-] ZINC000100044350 563981396 /nfs/dbraw/zinc/98/13/96/563981396.db2.gz VVSTXMNVZVDBHH-RVDMUPIBSA-N 0 0 336.351 3.622 50 10 EHCARN NS(=O)(=O)c1ccc(NN=C2C(=O)C=Cc3ccccc32)cc1 ZINC000100007181 563982265 /nfs/dbraw/zinc/98/22/65/563982265.db2.gz HNCQBQORWDWXNN-VHEBQXMUSA-N 0 0 327.365 3.608 50 10 EHCARN CCC[C@@H](C)NC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000003460590 564004572 /nfs/dbraw/zinc/00/45/72/564004572.db2.gz NSSMMWQCZWDGGK-CQSZACIVSA-N 0 0 342.439 3.556 50 10 EHCARN COc1ccc(/C=C2/C=C(c3cc(OC)ccc3OC)OC2=O)cc1 ZINC000013616751 564020499 /nfs/dbraw/zinc/02/04/99/564020499.db2.gz DTYDBNVZWWBBPA-UVTDQMKNSA-N 0 0 338.359 3.694 50 10 EHCARN Cc1cccc(NC(=O)C[C@@H]2SC(=O)N(c3ccccc3)C2=O)c1 ZINC000001013818 564054086 /nfs/dbraw/zinc/05/40/86/564054086.db2.gz AYUAUOZBIOAQTG-HNNXBMFYSA-N 0 0 340.404 3.592 50 10 EHCARN COc1ccc(N(CCC(N)=O)Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000012643162 564061999 /nfs/dbraw/zinc/06/19/99/564061999.db2.gz VUGGFDUSBMLAML-UHFFFAOYSA-N 0 0 340.467 3.875 50 10 EHCARN CC(=O)Nc1ccc(C=C2SC(Nc3ccccc3)=NC2=O)cc1 ZINC000006073744 564073472 /nfs/dbraw/zinc/07/34/72/564073472.db2.gz KKGZQEOVNGAJNT-LFIBNONCSA-N 0 0 337.404 3.727 50 10 EHCARN CN1C=CC(C(=O)N=NC(=O)c2ccc(Br)cc2)=CC1 ZINC000409415928 564076590 /nfs/dbraw/zinc/07/65/90/564076590.db2.gz DOQZJRFVBTWOCG-UHFFFAOYSA-N 0 0 334.173 3.784 50 10 EHCARN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000054354383 564093367 /nfs/dbraw/zinc/09/33/67/564093367.db2.gz QVDYMMVQSLXDTE-UHFFFAOYSA-N 0 0 339.420 3.507 50 10 EHCARN COCCCNC(=O)c1ccc(-n2c(C)cc3c2CC[C@@H](C)C3)cc1 ZINC000006877975 564100388 /nfs/dbraw/zinc/10/03/88/564100388.db2.gz VEWYMMSVIWJEOC-OAHLLOKOSA-N 0 0 340.467 3.677 50 10 EHCARN COc1ccc(N2CCC(NC(=O)c3c(C)oc(C)c3C)CC2)cc1 ZINC000065594211 564108049 /nfs/dbraw/zinc/10/80/49/564108049.db2.gz UXRBBERQENXSHS-UHFFFAOYSA-N 0 0 342.439 3.612 50 10 EHCARN CC(C)(C)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000032210190 564177428 /nfs/dbraw/zinc/17/74/28/564177428.db2.gz POVQXWGLNGROCY-UHFFFAOYSA-N 0 0 337.055 3.805 50 10 EHCARN Oc1cccc2ccc(/C=C/c3ccc(N4CCOCC4)cc3)nc12 ZINC000007586324 1027468847 /nfs/dbraw/zinc/46/88/47/1027468847.db2.gz SEJYQJMVOFUTTH-XBXARRHUSA-N 0 0 332.403 3.947 50 10 EHCARN CC(=O)c1ccc(N2C(=O)C(=Cc3cccnc3)SC2=S)cc1 ZINC000004193741 210144221 /nfs/dbraw/zinc/14/42/21/210144221.db2.gz BRVCOMAFCDJEEQ-DHDCSXOGSA-N 0 0 340.429 3.690 50 10 EHCARN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1O ZINC000013403728 201893501 /nfs/dbraw/zinc/89/35/01/201893501.db2.gz NINQWTZFJPOKLG-ZSOIEALJSA-N 0 0 337.466 3.648 50 10 EHCARN COc1ccc(N(Cc2ccco2)Cc2nnc(C3CC3)o2)cc1F ZINC000072682509 216292550 /nfs/dbraw/zinc/29/25/50/216292550.db2.gz SNPXDAZJYXAADR-UHFFFAOYSA-N 0 0 343.358 3.895 50 10 EHCARN C[NH+](C)Cc1c([O-])ccc2cc(-c3ccc(Cl)cc3)c(=O)oc21 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/nfs/dbraw/zinc/71/07/91/563710791.db2.gz GZPXWMKVXFIMPW-UHFFFAOYSA-N 0 0 336.439 3.818 50 10 EHCARN O=C1NC(=S)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 ZINC000013786858 563723298 /nfs/dbraw/zinc/72/32/98/563723298.db2.gz TYYMHTXGYATKRM-GHXNOFRVSA-N 0 0 332.362 3.980 50 10 EHCARN CN(C)c1ccc(/C=C2/C(=O)N=C3Sc4ccccc4N3C2=N)cc1 ZINC000013817335 563725158 /nfs/dbraw/zinc/72/51/58/563725158.db2.gz MKVUIORSBWMLCI-RAHMVZLSSA-N 0 0 348.431 3.622 50 10 EHCARN NC(=O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000013590255 563930644 /nfs/dbraw/zinc/93/06/44/563930644.db2.gz ULMBGXXVZASLBH-CKEIUWERSA-N 0 0 335.363 3.520 50 10 EHCARN O=C1N=C(NC2CCCCC2)SC1=CC1=Cc2ccccc2OC1 ZINC000058392073 563944499 /nfs/dbraw/zinc/94/44/99/563944499.db2.gz FMJFWNVYLXYEAN-GZTJUZNOSA-N 0 0 340.448 3.898 50 10 EHCARN Cc1cc(/C=C2/SC(=S)N(C)C2=O)c(C)n1-c1ccccc1 ZINC000004853717 563992095 /nfs/dbraw/zinc/99/20/95/563992095.db2.gz DRCCKWBYYCMQNC-XNTDXEJSSA-N 0 0 328.462 3.925 50 10 EHCARN O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1ccccc1O ZINC000003167345 564026597 /nfs/dbraw/zinc/02/65/97/564026597.db2.gz DMDKIUWFTZJWTG-ZROIWOOFSA-N 0 0 329.402 3.504 50 10 EHCARN CC[C@H](NC(=O)c1ccc(C)c(-n2c(C)ccc2C)c1)C1CC(O)C1 ZINC000219935657 564035616 /nfs/dbraw/zinc/03/56/16/564035616.db2.gz VLXBTEMRODCGJH-ACBHZAAOSA-N 0 0 340.467 3.682 50 10 EHCARN CCOC(=O)c1sc2nc(N3CCCC3)c3c(c2c1N)CCCC3 ZINC000015670970 564070436 /nfs/dbraw/zinc/07/04/36/564070436.db2.gz MJWPGMFTUWUWFC-UHFFFAOYSA-N 0 0 345.468 3.534 50 10 EHCARN CCCCCOc1ccc2nc3c(nc2c1)C(=O)c1ccccc1C3=O ZINC000004307495 564072351 /nfs/dbraw/zinc/07/23/51/564072351.db2.gz VRYFERNYOUMTTP-UHFFFAOYSA-N 0 0 346.386 3.974 50 10 EHCARN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000085875670 564075126 /nfs/dbraw/zinc/07/51/26/564075126.db2.gz YAOFZBMTCQLESX-MRXNPFEDSA-N 0 0 335.403 3.797 50 10 biogenic EHCARN CN(Cc1ccccc1O)C(=O)c1csc(-c2ccccc2F)n1 ZINC000063767166 564076816 /nfs/dbraw/zinc/07/68/16/564076816.db2.gz YYXCMUGASZIOCB-UHFFFAOYSA-N 0 0 342.395 3.927 50 10 EHCARN CC[C@H](CCO)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000075110952 564080282 /nfs/dbraw/zinc/08/02/82/564080282.db2.gz UAGDIFWDWJWBBH-QGZVFWFLSA-N 0 0 328.456 3.541 50 10 EHCARN CC1(C)OC(=O)C(=CNc2ccc(Nc3ccccc3)cc2)C(=O)O1 ZINC000002534732 564150427 /nfs/dbraw/zinc/15/04/27/564150427.db2.gz WWIUCNYLCPRHPH-UHFFFAOYSA-N 0 0 338.363 3.562 50 10 EHCARN Fc1c(F)c(F)c2c(nc3ccccc3c2N2CCOCC2)c1F ZINC000004269576 564161435 /nfs/dbraw/zinc/16/14/35/564161435.db2.gz ISTLGWKDNAVBLA-UHFFFAOYSA-N 0 0 336.288 3.781 50 10 EHCARN CCN(CC)c1ccc(CNC(=O)[C@@H](C)c2c(C)noc2C)cc1F ZINC000066841629 564164275 /nfs/dbraw/zinc/16/42/75/564164275.db2.gz KFENOLVWOGSEDN-LBPRGKRZSA-N 0 0 347.434 3.697 50 10 EHCARN CN(C)c1ccc(CN(C)C(=O)[C@H]2C[C@H]2c2cccc(F)c2)cc1 ZINC000067140910 564165198 /nfs/dbraw/zinc/16/51/98/564165198.db2.gz VCMSEBFJEXFQAK-OALUTQOASA-N 0 0 326.415 3.654 50 10 EHCARN CC[C@H](C)NC(=O)NCc1cc(C)n(-c2ccccc2OC)c1C ZINC000009228906 564171583 /nfs/dbraw/zinc/17/15/83/564171583.db2.gz MYDHHPGHEPEXEY-ZDUSSCGKSA-N 0 0 329.444 3.700 50 10 EHCARN O=C1N=C(Nc2ccccc2)SC1=Cc1cccc2c1OCCO2 ZINC000054802107 568422311 /nfs/dbraw/zinc/42/23/11/568422311.db2.gz CBHQYRXMFRANGQ-PTNGSMBKSA-N 0 0 338.388 3.540 50 10 EHCARN Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(O)c3)SC2=S)c1 ZINC000001159695 209713186 /nfs/dbraw/zinc/71/31/86/209713186.db2.gz LFROJHGCAQBAEN-DHDCSXOGSA-N 0 0 343.429 3.812 50 10 EHCARN CN(C)c1ccc(/C=C/C(=O)NCCCOC2CCCCC2)cc1 ZINC000030014573 212689227 /nfs/dbraw/zinc/68/92/27/212689227.db2.gz XCCPJYRQZIPJCZ-SDNWHVSQSA-N 0 0 330.472 3.621 50 10 EHCARN CCc1ccc(-n2c(C)cc(/C=C3/SC(=N)NC3=O)c2C)cc1 ZINC000023128341 212352037 /nfs/dbraw/zinc/35/20/37/212352037.db2.gz UDEACKCCNLAKRE-MHWRWJLKSA-N 0 0 325.437 3.795 50 10 EHCARN CCCNC(=S)N(Cc1ccccc1O)c1ccc(OC)cc1 ZINC000020988133 212194968 /nfs/dbraw/zinc/19/49/68/212194968.db2.gz VLZDLAYIYQFDHS-UHFFFAOYSA-N 0 0 330.453 3.692 50 10 EHCARN O=C(NCc1cccnc1)N(Cc1ccccc1O)C1CCCCC1 ZINC000078680139 217101278 /nfs/dbraw/zinc/10/12/78/217101278.db2.gz SATMIAXAEZJBQP-UHFFFAOYSA-N 0 0 339.439 3.832 50 10 EHCARN COCCN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S ZINC000009189385 211050086 /nfs/dbraw/zinc/05/00/86/211050086.db2.gz OJRQYQHHMVWUBC-KAMYIIQDSA-N 0 0 335.494 3.832 50 10 EHCARN Cc1cc(C=C2SC(N)=NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000005127132 210394793 /nfs/dbraw/zinc/39/47/93/210394793.db2.gz FNNVCBHKGRWGBD-ZSOIEALJSA-N 0 0 331.828 3.677 50 10 EHCARN COc1cc(/C=C2\SC(=S)N(C3CCCC3)C2=O)ccc1O ZINC000004745829 210269493 /nfs/dbraw/zinc/26/94/93/210269493.db2.gz JXYRZSFFEYUIKD-ZROIWOOFSA-N 0 0 335.450 3.545 50 10 EHCARN Cc1cc(Cl)ccc1NC(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C ZINC000002172637 258049653 /nfs/dbraw/zinc/04/96/53/258049653.db2.gz WJMKTAYUTQTWMX-ZWKOTPCHSA-N 0 0 333.815 3.551 50 10 EHCARN CCn1c(C)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C ZINC000000366496 563296624 /nfs/dbraw/zinc/29/66/24/563296624.db2.gz DCXQAFVCUDJSNQ-MHWRWJLKSA-N 0 0 343.814 3.876 50 10 EHCARN CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc(O)cc1C ZINC000008301206 563625859 /nfs/dbraw/zinc/62/58/59/563625859.db2.gz UXFWLYSFFUHWHG-MHWRWJLKSA-N 0 0 325.343 3.558 50 10 EHCARN CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)SC1=S ZINC000013475702 563699072 /nfs/dbraw/zinc/69/90/72/563699072.db2.gz FQDBCYFSZSZRBG-BENRWUELSA-N 0 0 342.898 3.931 50 10 EHCARN Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000013541322 563700838 /nfs/dbraw/zinc/70/08/38/563700838.db2.gz XDOKLSJPKKDTBH-DHDCSXOGSA-N 0 0 344.461 3.631 50 10 EHCARN CCOc1cc(/C=C2\C(=O)N(c3cccc(F)c3)N=C2C)ccc1O ZINC000017146118 563838423 /nfs/dbraw/zinc/83/84/23/563838423.db2.gz BZRGVBAIUFISPN-SXGWCWSVSA-N 0 0 340.354 3.736 50 10 EHCARN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(-c2ccccc2)on1 ZINC000028331523 563902522 /nfs/dbraw/zinc/90/25/22/563902522.db2.gz UPYRYTRQVAOXSS-UHFFFAOYSA-N 0 0 347.418 3.872 50 10 EHCARN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccccc2)cc1 ZINC000059925549 563949424 /nfs/dbraw/zinc/94/94/24/563949424.db2.gz XUPIXVWQAXKFBI-HKWRFOASSA-N 0 0 340.382 3.815 50 10 EHCARN O=C1NC(=S)N(C2CCCCC2)C(=O)C1=CC=Cc1ccco1 ZINC000033320034 563974009 /nfs/dbraw/zinc/97/40/09/563974009.db2.gz CIQCFFLSRVUSAB-NDUUIVGLSA-N 0 0 330.409 3.636 50 10 EHCARN CNC(=O)c1cccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 ZINC000024039734 563991565 /nfs/dbraw/zinc/99/15/65/563991565.db2.gz JEJKAOUZMIEQOD-UHFFFAOYSA-N 0 0 347.418 3.706 50 10 EHCARN CN(C)c1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 ZINC000046542790 563993807 /nfs/dbraw/zinc/99/38/07/563993807.db2.gz KRPUFJUTMKRHKV-UHFFFAOYSA-N 0 0 327.815 3.817 50 10 EHCARN O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cccc2ccccc21 ZINC000000616380 564012885 /nfs/dbraw/zinc/01/28/85/564012885.db2.gz BOXNIQZYVTYTBQ-UHFFFAOYSA-N 0 0 333.796 4.000 50 10 EHCARN Oc1c([C@@H](Nc2nccs2)c2ccccn2)ccc2cccnc21 ZINC000001016317 564054022 /nfs/dbraw/zinc/05/40/22/564054022.db2.gz PAFHWBFBRDXLHE-MRXNPFEDSA-N 0 0 334.404 3.993 50 10 EHCARN Cc1nn(C)c(C)c1/C=C\C(=O)N1CCCSc2ccccc21 ZINC000096822542 1039216529 /nfs/dbraw/zinc/21/65/29/1039216529.db2.gz GMTBDERFUNTLPR-KTKRTIGZSA-N 0 0 327.453 3.579 50 10 EHCARN C[C@H]1CN(c2ccc(CNC(=O)C3CCCCC3)cc2F)C[C@H](C)O1 ZINC000048354854 1042318738 /nfs/dbraw/zinc/31/87/38/1042318738.db2.gz IIUPPWSFSUEZKH-GJZGRUSLSA-N 0 0 348.462 3.636 50 10 EHCARN CC(=Nc1cccnc1)c1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000100422666 219098854 /nfs/dbraw/zinc/09/88/54/219098854.db2.gz STLHMXWJXHPOLK-WJDWOHSUSA-N 0 0 349.419 3.800 50 10 EHCARN COc1ccc(OC)c(/C=C2/C(C)=NN(c3ccc(C)cc3)C2=O)c1 ZINC000004477138 210196924 /nfs/dbraw/zinc/19/69/24/210196924.db2.gz JXXRAFDWPWABHM-PDGQHHTCSA-N 0 0 336.391 3.818 50 10 EHCARN Cc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000100711597 219104760 /nfs/dbraw/zinc/10/47/60/219104760.db2.gz ZLGUIXOUPKHWJQ-LJQANCHMSA-N 0 0 331.423 3.709 50 10 EHCARN CCCN(Cc1ccccc1O)C(=O)CCc1nc2ccccc2[nH]1 ZINC000066096677 215009863 /nfs/dbraw/zinc/00/98/63/215009863.db2.gz JITJGJQWPYFFOP-UHFFFAOYSA-N 0 0 337.423 3.640 50 10 EHCARN CN1C(=O)/C(=C\c2cc(Cc3ccccc3)ccc2O)SC1=S ZINC000003893759 210085289 /nfs/dbraw/zinc/08/52/89/210085289.db2.gz YOZPSZZZHYTQPM-LFIBNONCSA-N 0 0 341.457 3.814 50 10 EHCARN O=c1[nH]c(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)cs1 ZINC000040914557 213399276 /nfs/dbraw/zinc/39/92/76/213399276.db2.gz MIPANFMDESCNBQ-HNNXBMFYSA-N 0 0 337.404 3.809 50 10 EHCARN O=C(c1ccccc1)N1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000001512759 209756676 /nfs/dbraw/zinc/75/66/76/209756676.db2.gz UKLXNBQUAHAGQM-KAMYIIQDSA-N 0 0 325.414 3.728 50 10 EHCARN CCCC1=NN2C(=NC(=O)/C(=C\c3c[nH]c4ccccc34)C2=N)S1 ZINC000000106959 209423746 /nfs/dbraw/zinc/42/37/46/209423746.db2.gz ZKXJBIZGCZVYLD-GPHIBNKYSA-N 0 0 337.408 3.587 50 10 EHCARN CCN(CC)c1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 ZINC000000050619 209390985 /nfs/dbraw/zinc/39/09/85/209390985.db2.gz ZXVCYEJBLDNEJY-SAPNQHFASA-N 0 0 343.496 3.989 50 10 EHCARN COc1ccc(-c2nc(/C=C3/SC(=S)N(C)C3=O)cs2)cc1 ZINC000096935930 218902895 /nfs/dbraw/zinc/90/28/95/218902895.db2.gz ALIDOQZQXCJMRI-KPKJPENVSA-N 0 0 348.474 3.650 50 10 EHCARN Cc1ccc(NC(=O)c2cn(Cc3ccc(N)cc3)cn2)c(Cl)c1 ZINC000071775352 258063984 /nfs/dbraw/zinc/06/39/84/258063984.db2.gz XBTBYTCWWRIUMW-UHFFFAOYSA-N 0 0 340.814 3.728 50 10 EHCARN CCC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1ccc(N(C)C)cc1 ZINC000000613401 563355967 /nfs/dbraw/zinc/35/59/67/563355967.db2.gz YMTQRSLBFYXZPO-QGZVFWFLSA-N 0 0 325.412 3.742 50 10 EHCARN Cc1cc2oc(=O)c3c(c2c([O-])c1C[NH+]1CCC(C)CC1)CCC3 ZINC000005235467 563523740 /nfs/dbraw/zinc/52/37/40/563523740.db2.gz LVBCTEXATGQOPJ-UHFFFAOYSA-N 0 0 327.424 3.528 50 10 EHCARN CC[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000013745154 563720279 /nfs/dbraw/zinc/72/02/79/563720279.db2.gz IEBADLVMAXTGJA-FQEVSTJZSA-N 0 0 338.451 3.538 50 10 EHCARN CCOc1ccc(/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)cc1 ZINC000013749810 563720725 /nfs/dbraw/zinc/72/07/25/563720725.db2.gz QKPWJAZGLKTRMX-RERGGYADSA-N 0 0 330.453 3.788 50 10 EHCARN COc1ccc2c(=O)/c(=C/c3ccc(N(C)C)cc3)oc3cccc1c32 ZINC000000246066 563917116 /nfs/dbraw/zinc/91/71/16/563917116.db2.gz DOWMTGRXOQQXMH-MOSHPQCFSA-N 0 0 345.398 3.569 50 10 biogenic EHCARN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cccs1 ZINC000000113021 563986668 /nfs/dbraw/zinc/98/66/68/563986668.db2.gz XZGVGEKLOZMFBL-WJDWOHSUSA-N 0 0 339.416 3.621 50 10 EHCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1cccc(O)c1 ZINC000101141459 564019251 /nfs/dbraw/zinc/01/92/51/564019251.db2.gz BWTURFPXSRCRLF-MHWRWJLKSA-N 0 0 327.771 3.764 50 10 EHCARN CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(CC)C1=O ZINC000001219389 564057842 /nfs/dbraw/zinc/05/78/42/564057842.db2.gz NTAYAHYIYZZYEP-WQLSENKSSA-N 0 0 327.858 3.960 50 10 EHCARN CN(C)c1ccc(CNC(=O)c2ccc(-c3cccs3)nc2)cc1 ZINC000075502315 564087133 /nfs/dbraw/zinc/08/71/33/564087133.db2.gz XUXLQZLOBJCPBP-UHFFFAOYSA-N 0 0 337.448 3.806 50 10 EHCARN CCOc1ccc(N2C(=O)/C(=C/c3cccn3C)SC2=S)cc1 ZINC000002345342 564132501 /nfs/dbraw/zinc/13/25/01/564132501.db2.gz AGFLVCOERYOKSP-PTNGSMBKSA-N 0 0 344.461 3.830 50 10 EHCARN Cc1cc(C(=O)CN2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000020962706 564141912 /nfs/dbraw/zinc/14/19/12/564141912.db2.gz GKAOTGOAWNLDCV-GJZGRUSLSA-N 0 0 344.430 3.525 50 10 EHCARN CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000013838099 1015700488 /nfs/dbraw/zinc/70/04/88/1015700488.db2.gz WNSQESNFRTWKIT-ATVHPVEESA-N 0 0 338.432 3.989 50 10 EHCARN Nc1ccc(-n2ncnc2-c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000261494859 1019373411 /nfs/dbraw/zinc/37/34/11/1019373411.db2.gz MXOYWXHILURKOB-UHFFFAOYSA-N 0 0 339.708 3.584 50 10 EHCARN CC(C)Oc1ccc(NC(=O)N(C)Cc2ccccc2O)c(F)c1 ZINC000052265462 214124774 /nfs/dbraw/zinc/12/47/74/214124774.db2.gz VZLGMAKJXLBUGR-UHFFFAOYSA-N 0 0 332.375 3.982 50 10 EHCARN Cc1cc(/C=C\C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(C)cc1 ZINC000098054051 219074581 /nfs/dbraw/zinc/07/45/81/219074581.db2.gz YAQDRYHGMWKDID-WUQYLLKWSA-N 0 0 338.451 3.711 50 10 EHCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNNc1ccccc1C ZINC000100040873 219089311 /nfs/dbraw/zinc/08/93/11/219089311.db2.gz VLDRUJUAYNZUQF-PDGQHHTCSA-N 0 0 334.423 3.835 50 10 EHCARN CCOC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(F)cc1F ZINC000100249892 219095617 /nfs/dbraw/zinc/09/56/17/219095617.db2.gz KYSDHZLUMHRSIQ-KAMYIIQDSA-N 0 0 343.333 3.657 50 10 EHCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000004155912 210133796 /nfs/dbraw/zinc/13/37/96/210133796.db2.gz WKZCYYOAIIRMLF-OGHNNQOOSA-N 0 0 345.398 3.837 50 10 EHCARN CC(C)CN1C(=O)/C(=C\c2ccc3c(c2)C[C@@H](C)O3)SC1=S ZINC000002325738 209840037 /nfs/dbraw/zinc/84/00/37/209840037.db2.gz PCMLOJNDXYVHGI-OXFWXOROSA-N 0 0 333.478 3.867 50 10 EHCARN CN1c2ccccc2[C@@]2(NN=C(c3cccc4ccccc43)S2)C1=O ZINC000000241081 209501185 /nfs/dbraw/zinc/50/11/85/209501185.db2.gz MEDYXNSONZYDJM-FQEVSTJZSA-N 0 0 345.427 3.667 50 10 EHCARN Cc1ccsc1CN1CC(=O)N(c2c(C)cccc2C)C1=S ZINC000000216415 209490503 /nfs/dbraw/zinc/49/05/03/209490503.db2.gz ZWWWBZVOEMTDGT-UHFFFAOYSA-N 0 0 330.478 3.807 50 10 EHCARN COc1cccc(/C=C2\SC(N3CCCCCC3)=NC2=O)c1OC ZINC000027570604 212565972 /nfs/dbraw/zinc/56/59/72/212565972.db2.gz SOWDNCHKQCLDTG-QINSGFPZSA-N 0 0 346.452 3.550 50 10 EHCARN Cc1cnc(C)c(-c2ccc(O)c(CN(C)Cc3nccs3)c2)n1 ZINC000020210344 212111649 /nfs/dbraw/zinc/11/16/49/212111649.db2.gz WJCZUUZQZCCFDR-UHFFFAOYSA-N 0 0 340.452 3.555 50 10 EHCARN O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1C1CCCCC1 ZINC000013602674 211590299 /nfs/dbraw/zinc/59/02/99/211590299.db2.gz GTSZDLFMMXGVJE-ZROIWOOFSA-N 0 0 335.450 3.632 50 10 EHCARN O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1c1ccccc1 ZINC000013476494 211565160 /nfs/dbraw/zinc/56/51/60/211565160.db2.gz HRAFGHWKNFRMCY-NTEUORMPSA-N 0 0 329.402 3.504 50 10 EHCARN O=C1N=C(Nc2cccnc2)SC1=Cc1ccc2ncccc2c1 ZINC000009419029 211081081 /nfs/dbraw/zinc/08/10/81/211081081.db2.gz OGCPDQPXGHRRAQ-MHWRWJLKSA-N 0 0 332.388 3.712 50 10 EHCARN CCc1ccc(N2N=C(C)/C(=C/c3ccc(O)c(OC)c3)C2=O)cc1 ZINC000005046952 210374934 /nfs/dbraw/zinc/37/49/34/210374934.db2.gz UXEOTDUAAYXPMK-BOPFTXTBSA-N 0 0 336.391 3.769 50 10 EHCARN Cc1c([O-])c(C[NH+]2CCCCC2)cc2c3c(c(=O)oc12)CCCC3 ZINC000004749683 210270963 /nfs/dbraw/zinc/27/09/63/210270963.db2.gz KCDLJJMWMXDAHI-UHFFFAOYSA-N 0 0 327.424 3.672 50 10 EHCARN COc1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000005393894 135671363 /nfs/dbraw/zinc/67/13/63/135671363.db2.gz NRYMXQPPLSBFQW-UHFFFAOYSA-N 0 0 346.430 3.811 50 10 EHCARN CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2Cl)SC1=S ZINC000000988771 563367360 /nfs/dbraw/zinc/36/73/60/563367360.db2.gz WUHWXGWTLMWBDW-GHXNOFRVSA-N 0 0 326.874 3.627 50 10 EHCARN COc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(OC)c1 ZINC000001181987 563377673 /nfs/dbraw/zinc/37/76/73/563377673.db2.gz QCOBQXGYRMQADS-AUWJEWJLSA-N 0 0 337.466 3.561 50 10 EHCARN O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1c1ccc(F)cc1 ZINC000002451392 563432760 /nfs/dbraw/zinc/43/27/60/563432760.db2.gz ZDRVPSBAXCVEQL-NTEUORMPSA-N 0 0 331.393 3.937 50 10 EHCARN CCOc1ccc(/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)cc1 ZINC000013749807 563720798 /nfs/dbraw/zinc/72/07/98/563720798.db2.gz QKPWJAZGLKTRMX-YYTPVVGHSA-N 0 0 330.453 3.788 50 10 EHCARN CC1=CC2=NC(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=N)N2O1 ZINC000013814947 563724930 /nfs/dbraw/zinc/72/49/30/563724930.db2.gz QOPADCBGWAWBCM-WJNHLLBISA-N 0 0 337.310 3.536 50 10 EHCARN CCSc1nnc2c(n1)OC(c1cccnc1)=Nc1ccccc1-2 ZINC000015017433 563772958 /nfs/dbraw/zinc/77/29/58/563772958.db2.gz GLGKHNHESDCSEB-UHFFFAOYSA-N 0 0 335.392 3.516 50 10 EHCARN COC(=O)c1ccccc1NCc1cc(Br)ccc1O ZINC000044836167 563926684 /nfs/dbraw/zinc/92/66/84/563926684.db2.gz ZFTXGFHHEWJTPE-UHFFFAOYSA-N 0 0 336.185 3.553 50 10 EHCARN CCn1ccc2ccc(-c3c(-c4ccccc4)ncn3CC(N)=O)cc21 ZINC000065395689 563959651 /nfs/dbraw/zinc/95/96/51/563959651.db2.gz ZBKOWLFCCAKPMR-UHFFFAOYSA-N 0 0 344.418 3.677 50 10 EHCARN Oc1ccc(Br)cc1C1=NN[C@@H](c2ccc(F)cc2)C1 ZINC000000462546 564000886 /nfs/dbraw/zinc/00/08/86/564000886.db2.gz ADEMRXVZBYKCTR-CYBMUJFWSA-N 0 0 335.176 3.733 50 10 EHCARN Cc1cc(/C=C2/SC(=N)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000033933258 564001190 /nfs/dbraw/zinc/00/11/90/564001190.db2.gz FNNVCBHKGRWGBD-RIYZIHGNSA-N 0 0 331.828 3.886 50 10 EHCARN Cc1ccccc1/C=C1\SC(=S)N(CN2CCCCC2)C1=O ZINC000103838894 564023159 /nfs/dbraw/zinc/02/31/59/564023159.db2.gz NOQJFPJYFZPVBF-PTNGSMBKSA-N 0 0 332.494 3.640 50 10 EHCARN O=C(NCc1ccccc1O)C1c2ccccc2Oc2ccccc21 ZINC000084504781 564068367 /nfs/dbraw/zinc/06/83/67/564068367.db2.gz MHPHUDNKFSSLGH-UHFFFAOYSA-N 0 0 331.371 3.946 50 10 EHCARN CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1 ZINC000007113225 564104908 /nfs/dbraw/zinc/10/49/08/564104908.db2.gz OSJGYSZJIQDBEY-MRXNPFEDSA-N 0 0 349.356 3.881 50 10 EHCARN Cc1cc(C(=O)N2CC[C@H](C)[C@H]2CO)c(C)n1-c1cccc(Cl)c1 ZINC000170604164 564109474 /nfs/dbraw/zinc/10/94/74/564109474.db2.gz QBRBLOQFPQRIGX-KPZWWZAWSA-N 0 0 346.858 3.590 50 10 EHCARN O=C(c1ccccc1)N1N=C(c2ccco2)C[C@H]1c1ccccc1O ZINC000008734921 564167084 /nfs/dbraw/zinc/16/70/84/564167084.db2.gz YDKHKTKGVYXCOC-KRWDZBQOSA-N 0 0 332.359 3.977 50 10 EHCARN Nc1ccc(CC(=O)N2CCCC[C@H]2CCc2cccs2)cc1 ZINC000952980208 1137484844 /nfs/dbraw/zinc/48/48/44/1137484844.db2.gz JTBBPCQPJWTESL-KRWDZBQOSA-N 0 0 328.481 3.887 50 10 EHCARN CCO/C(C)=C1\C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1 ZINC000004741364 210266096 /nfs/dbraw/zinc/26/60/96/210266096.db2.gz BNIHBYGOODTFFQ-JXAWBTAJSA-N 0 0 336.391 3.757 50 10 EHCARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N)cc2)c1 ZINC000004688082 210248117 /nfs/dbraw/zinc/24/81/17/210248117.db2.gz RWDWWQXFNUICKH-UHFFFAOYSA-N 0 0 343.452 3.575 50 10 EHCARN O=C1C(=CNc2cccc(O)c2)SC(=S)N1C1CCCCC1 ZINC000100463928 219099571 /nfs/dbraw/zinc/09/95/71/219099571.db2.gz GBVAXGJGMWJVRQ-UVTDQMKNSA-N 0 0 334.466 3.839 50 10 EHCARN CN(C)P(=N/N=N/c1nc2ccccc2s1)(N(C)C)N(C)C ZINC000004381155 210184025 /nfs/dbraw/zinc/18/40/25/210184025.db2.gz QUSDOKRWEQTRBX-FOCLMDBBSA-N 0 0 339.409 3.926 50 10 EHCARN Cc1nn(C)cc1/C=C1/SC(=S)N([C@H](C)c2ccccc2)C1=O ZINC000002787036 209912394 /nfs/dbraw/zinc/91/23/94/209912394.db2.gz PXUFNLKJDSMICF-KMHUVPDISA-N 0 0 343.477 3.691 50 10 EHCARN COC(=O)[C@H]1Cc2ccccc2CN1Cc1c(O)ccc2ccccc21 ZINC000035526375 213035022 /nfs/dbraw/zinc/03/50/22/213035022.db2.gz CAEYYAXRMOWHKY-HXUWFJFHSA-N 0 0 347.414 3.645 50 10 EHCARN C[C@H]1SCCN(C(=O)Cc2ccc(N)cc2)[C@@H]1c1ccccc1 ZINC000237601251 242714095 /nfs/dbraw/zinc/71/40/95/242714095.db2.gz WQVATQGUXFLWMM-KUHUBIRLSA-N 0 0 326.465 3.517 50 10 EHCARN Cn1ncc2c1nc1c3ccc(O)cc3oc1c2-c1ccc(O)c(O)c1 ZINC000253414725 243932105 /nfs/dbraw/zinc/93/21/05/243932105.db2.gz YJMICEZEGQCYBY-UHFFFAOYSA-N 0 0 347.330 3.652 50 10 biogenic EHCARN CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\N1CCCCC1 ZINC000019925418 212084921 /nfs/dbraw/zinc/08/49/21/212084921.db2.gz KPMYYLUDMOALBQ-PTNGSMBKSA-N 0 0 348.244 3.541 50 10 EHCARN CCCC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1O ZINC000008774928 211003934 /nfs/dbraw/zinc/00/39/34/211003934.db2.gz GMHVGTCGMOWSAV-GOSISDBHSA-N 0 0 338.407 3.879 50 10 EHCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1F ZINC000004990431 210352886 /nfs/dbraw/zinc/35/28/86/210352886.db2.gz ZECJHXJLPDOKHF-UHFFFAOYSA-N 0 0 345.329 3.853 50 10 EHCARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1C ZINC000000073621 258047490 /nfs/dbraw/zinc/04/74/90/258047490.db2.gz LEXWYGNLTSQMSI-UHFFFAOYSA-N 0 0 325.817 3.772 50 10 EHCARN Cc1nc2ncnc(N3CC=C(c4c[nH]c5cc(F)ccc54)CC3)c2[nH]1 ZINC000041123954 132408340 /nfs/dbraw/zinc/40/83/40/132408340.db2.gz MGEFUPNODIGTNP-UHFFFAOYSA-N 0 0 348.385 3.575 50 10 EHCARN CCn1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)c2ccccc21 ZINC000000078999 563217942 /nfs/dbraw/zinc/21/79/42/563217942.db2.gz ALYNVKDIACQTRX-UHFFFAOYSA-N 0 0 341.407 3.907 50 10 EHCARN O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c([O-])c2ncccc12 ZINC000000310124 563280332 /nfs/dbraw/zinc/28/03/32/563280332.db2.gz NCXLPGIFFKJJHL-HNNXBMFYSA-N 0 0 349.390 3.838 50 10 EHCARN O=C(c1ccco1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O ZINC000000505561 563339317 /nfs/dbraw/zinc/33/93/17/563339317.db2.gz PGHUFOJFKZXUDV-QGZVFWFLSA-N 0 0 332.359 3.977 50 10 EHCARN Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccccn1 ZINC000000981444 563367089 /nfs/dbraw/zinc/36/70/89/563367089.db2.gz ARZWTGUPDHMLCX-XNTDXEJSSA-N 0 0 341.436 3.934 50 10 EHCARN COc1ccc(OC)c(/C=C2\SC(c3ccccc3)=NC2=O)c1 ZINC000015016229 563772503 /nfs/dbraw/zinc/77/25/03/563772503.db2.gz AXWRJWJOFZEMEV-WJDWOHSUSA-N 0 0 325.389 3.765 50 10 EHCARN O=C(CSc1ccc(F)cc1)NCc1ccc(N2CCCC2)cc1 ZINC000028046936 563901246 /nfs/dbraw/zinc/90/12/46/563901246.db2.gz ZMTQTZQJUUBCKL-UHFFFAOYSA-N 0 0 344.455 3.834 50 10 EHCARN Cc1noc(C(C)C)c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000028330211 563902516 /nfs/dbraw/zinc/90/25/16/563902516.db2.gz CQJJHPLOOIKQMX-UHFFFAOYSA-N 0 0 327.428 3.637 50 10 EHCARN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1ccncc1 ZINC000072289640 563908771 /nfs/dbraw/zinc/90/87/71/563908771.db2.gz GZURRWPBFQRWOC-INIZCTEOSA-N 0 0 340.471 3.829 50 10 EHCARN COc1cccc2c1Sc1ccccc1C=C2N1CC[NH+](C)CC1 ZINC000033824114 563994477 /nfs/dbraw/zinc/99/44/77/563994477.db2.gz GGFCSIZHHFUACG-UHFFFAOYSA-N 0 0 338.476 3.905 50 10 EHCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(O)c1 ZINC000101148946 564019236 /nfs/dbraw/zinc/01/92/36/564019236.db2.gz ARXTWNXHOJOBGA-MHWRWJLKSA-N 0 0 327.771 3.764 50 10 EHCARN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2-c1ccc(O)cc1 ZINC000604405856 564034699 /nfs/dbraw/zinc/03/46/99/564034699.db2.gz WLQFPIVYLDNKPY-UHFFFAOYSA-N 0 0 339.350 3.908 50 10 biogenic EHCARN COc1cccc(/C=C2/SC(=S)N(Nc3ccccc3)C2=O)c1 ZINC000001208350 564056446 /nfs/dbraw/zinc/05/64/46/564056446.db2.gz FNITXGVQDJWRMC-RVDMUPIBSA-N 0 0 342.445 3.924 50 10 EHCARN O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1ccccc1O ZINC000096022760 564086310 /nfs/dbraw/zinc/08/63/10/564086310.db2.gz DMDKIUWFTZJWTG-NTEUORMPSA-N 0 0 329.402 3.504 50 10 EHCARN Cc1cc(-c2csc(CC(N)=O)n2)c(C)n1-c1ccc(Cl)cc1 ZINC000008042228 564162390 /nfs/dbraw/zinc/16/23/90/564162390.db2.gz NFOMWMLMFIXAOZ-UHFFFAOYSA-N 0 0 345.855 3.899 50 10 EHCARN COc1cccc(CNC(=O)Nc2ccc(OC(C)C)cc2C)c1O ZINC000070039508 564173492 /nfs/dbraw/zinc/17/34/92/564173492.db2.gz DBJZPJSZCVZIAI-UHFFFAOYSA-N 0 0 344.411 3.818 50 10 EHCARN C[C@H]1CCCN(c2ccc(CNC(=O)Cc3cccs3)cc2)C1 ZINC000098086209 219081168 /nfs/dbraw/zinc/08/11/68/219081168.db2.gz VAXDWMNCMKHOFJ-HNNXBMFYSA-N 0 0 328.481 3.843 50 10 EHCARN Cc1c(/C=C/c2nc3ccccc3c(=O)n2C)c2ccccc2n1C ZINC000003894044 210084983 /nfs/dbraw/zinc/08/49/83/210084983.db2.gz IGJSPTMMMVCANJ-OUKQBFOZSA-N 0 0 329.403 3.904 50 10 EHCARN Cc1cc(-c2csc(N)n2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000003886907 210085304 /nfs/dbraw/zinc/08/53/04/210085304.db2.gz FBRVUSAXTQLQTE-UHFFFAOYSA-N 0 0 327.409 3.571 50 10 EHCARN Cc1c(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)cnn1C ZINC000002798472 209915876 /nfs/dbraw/zinc/91/58/76/209915876.db2.gz BGUPLCQLHDVTHY-DGGAMASNSA-N 0 0 343.477 3.691 50 10 EHCARN CCCCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S ZINC000002666847 209888763 /nfs/dbraw/zinc/88/87/63/209888763.db2.gz IXADVYUUICIPJR-RAXLEYEMSA-N 0 0 336.438 3.986 50 10 EHCARN CCCCc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)cc1 ZINC000001805582 209795751 /nfs/dbraw/zinc/79/57/51/209795751.db2.gz PPRDJLZONBKPBL-LEWJYISDSA-N 0 0 341.451 3.932 50 10 EHCARN CN(C)c1ccc(CN(C)C(=O)NCc2ccc(F)c(Cl)c2)cc1 ZINC000072075464 216003147 /nfs/dbraw/zinc/00/31/47/216003147.db2.gz RYUQEKPXSTZOKG-UHFFFAOYSA-N 0 0 349.837 3.887 50 10 EHCARN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccccc1 ZINC000000277488 209516420 /nfs/dbraw/zinc/51/64/20/209516420.db2.gz JZFUSHKGMBOUTO-AQTBWJFISA-N 0 0 333.387 3.559 50 10 EHCARN CN1c2ccccc2[C@]2(NN=C(c3cccc4ccccc43)S2)C1=O ZINC000000241077 209501471 /nfs/dbraw/zinc/50/14/71/209501471.db2.gz MEDYXNSONZYDJM-HXUWFJFHSA-N 0 0 345.427 3.667 50 10 EHCARN CC1=NN(c2ccccc2)C(=O)C1=Cc1c[nH]nc1-c1ccccc1 ZINC000012412825 211373135 /nfs/dbraw/zinc/37/31/35/211373135.db2.gz UOXSHILWWIJSKZ-PDGQHHTCSA-N 0 0 328.375 3.883 50 10 EHCARN CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1cc(C)on1 ZINC000009156753 211047519 /nfs/dbraw/zinc/04/75/19/211047519.db2.gz QQFUSNVTLCUHPV-UHFFFAOYSA-N 0 0 342.424 3.597 50 10 EHCARN O=C1/C(=C\c2cccnc2)c2ccc(Cl)cc2N1CN1CCCC1 ZINC000008991929 211028215 /nfs/dbraw/zinc/02/82/15/211028215.db2.gz RTEGZJUAXUFYSV-YVLHZVERSA-N 0 0 339.826 3.676 50 10 EHCARN COc1ccc(-c2coc3c(C[NH+](C)C)c([O-])cc(C)c3c2=O)cc1 ZINC000008879936 211014150 /nfs/dbraw/zinc/01/41/50/211014150.db2.gz IDSZAAGALPBCEO-UHFFFAOYSA-N 0 0 339.391 3.544 50 10 biogenic EHCARN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1ccccn1 ZINC000071913615 519655432 /nfs/dbraw/zinc/65/54/32/519655432.db2.gz MAAQIIUIRFWUCZ-INIZCTEOSA-N 0 0 340.471 3.829 50 10 EHCARN Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1cccc(C)c1C ZINC000000196753 563257972 /nfs/dbraw/zinc/25/79/72/563257972.db2.gz IOXBMNWHXGPDDV-UHFFFAOYSA-N 0 0 328.481 3.719 50 10 EHCARN Cc1ccc(S(=O)(=O)Nc2c(C)cc(O)c(Cl)c2C)cc1 ZINC000000245107 563265800 /nfs/dbraw/zinc/26/58/00/563265800.db2.gz KXDUESUWKNVBHO-UHFFFAOYSA-N 0 0 325.817 3.772 50 10 EHCARN CCN1C(=O)/C(=C/c2cccc(N(C)C)c2Cl)SC1=S ZINC000001135391 563376089 /nfs/dbraw/zinc/37/60/89/563376089.db2.gz HMARMHHQHHIFIS-FLIBITNWSA-N 0 0 326.874 3.627 50 10 EHCARN COc1ccccc1N[C@@H]1SC(=O)N(c2cccc(C)c2)C1=O ZINC000001232454 563380509 /nfs/dbraw/zinc/38/05/09/563380509.db2.gz RJLAZSVFARJSTF-OAHLLOKOSA-N 0 0 328.393 3.642 50 10 EHCARN CSc1ccc(C2OC(=O)C(=Cc3cccs3)C(=O)O2)cc1 ZINC000002999576 563469151 /nfs/dbraw/zinc/46/91/51/563469151.db2.gz FQYURJNQBOXFJW-UHFFFAOYSA-N 0 0 332.402 3.652 50 10 EHCARN NC1=NC(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)S1 ZINC000015055916 563774280 /nfs/dbraw/zinc/77/42/80/563774280.db2.gz LMMODKUVVDSJOZ-DHDCSXOGSA-N 0 0 344.823 3.848 50 10 EHCARN CN(C)c1ccc(CNC(=O)c2sccc2-n2cccc2)cc1 ZINC000032899532 563785360 /nfs/dbraw/zinc/78/53/60/563785360.db2.gz OZGPWSDFJLPLLG-UHFFFAOYSA-N 0 0 325.437 3.535 50 10 EHCARN COc1ccc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000015519752 563786096 /nfs/dbraw/zinc/78/60/96/563786096.db2.gz YYSRYQSIDMDIFG-UHFFFAOYSA-N 0 0 344.480 3.512 50 10 EHCARN CCCCOC(=O)c1ccc(NCc2cccc(OC)c2O)cc1 ZINC000044836327 563926789 /nfs/dbraw/zinc/92/67/89/563926789.db2.gz BXJJSNNZHYBHRW-UHFFFAOYSA-N 0 0 329.396 3.970 50 10 EHCARN COc1ccc(/C=C2/C=C(c3ccc(OC)cc3OC)OC2=O)cc1 ZINC000013616758 563930655 /nfs/dbraw/zinc/93/06/55/563930655.db2.gz UDTJRGWHIJZBKB-UVTDQMKNSA-N 0 0 338.359 3.694 50 10 EHCARN Cc1cc(C)cc(NC=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 ZINC000084083785 563950401 /nfs/dbraw/zinc/95/04/01/563950401.db2.gz BGOIUOZHNFOKTQ-BUYRESAOSA-N 0 0 348.493 3.596 50 10 EHCARN COc1ccccc1NC[C@H](O)COc1ccc(Cl)cc1Cl ZINC000000074230 563974477 /nfs/dbraw/zinc/97/44/77/563974477.db2.gz PNYCMUCLQNEIQS-LBPRGKRZSA-N 0 0 342.222 3.854 50 10 EHCARN COc1ccc(C2=C/C(=C/c3cc([N+](=O)[O-])ccc3C)C(=O)O2)cc1 ZINC000000312841 564012379 /nfs/dbraw/zinc/01/23/79/564012379.db2.gz AFVLVHOQWWKARV-DHDCSXOGSA-N 0 0 337.331 3.893 50 10 EHCARN CC1=NN(c2nc3ccccc3s2)C(=O)C1=CNC1CCCCC1 ZINC000017994397 564013591 /nfs/dbraw/zinc/01/35/91/564013591.db2.gz BEJSAHSRNBFOJL-KAMYIIQDSA-N 0 0 340.452 3.825 50 10 EHCARN COc1ccc(N2CCN(Cc3cc(-c4ccccc4)no3)CC2)cc1 ZINC000012592858 564060255 /nfs/dbraw/zinc/06/02/55/564060255.db2.gz GDYFBHNTMPGFHM-UHFFFAOYSA-N 0 0 349.434 3.672 50 10 EHCARN O=C1N=C(N2CCCCC2)SC1=Cc1c[nH]nc1-c1ccccc1 ZINC000001268403 564062780 /nfs/dbraw/zinc/06/27/80/564062780.db2.gz ZDXUFFRKWSIPHQ-PTNGSMBKSA-N 0 0 338.436 3.533 50 10 EHCARN O=C(N1N=C(c2ccccc2O)C[C@H]1c1ccccc1)C(F)(F)F ZINC000170620254 564110270 /nfs/dbraw/zinc/11/02/70/564110270.db2.gz DPVNKEJEWVKDFZ-AWEZNQCLSA-N 0 0 334.297 3.632 50 10 EHCARN Cc1nc(Cl)cc(N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000095460483 564140804 /nfs/dbraw/zinc/14/08/04/564140804.db2.gz LUSLHZOOEUGPSI-UHFFFAOYSA-N 0 0 329.787 3.944 50 10 EHCARN O=C([C@H]1C[C@H]1c1cccnc1)N(Cc1ccco1)Cc1ccccc1O ZINC000069975217 564173028 /nfs/dbraw/zinc/17/30/28/564173028.db2.gz PPOPCODETVKEFA-OALUTQOASA-N 0 0 348.402 3.713 50 10 EHCARN CC1=NNC(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000102682503 1137781047 /nfs/dbraw/zinc/78/10/47/1137781047.db2.gz NYSNWKVZPJLWBH-WOJGMQOQSA-N 0 0 346.365 3.568 50 10 EHCARN Cc1ccccc1C(=O)Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC000004659169 210239895 /nfs/dbraw/zinc/23/98/95/210239895.db2.gz KRDCGQYNLGBBLD-UHFFFAOYSA-N 0 0 342.350 3.990 50 10 EHCARN CCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1CCC ZINC000100429111 219099247 /nfs/dbraw/zinc/09/92/47/219099247.db2.gz GGMGPKZLMUJTOL-VAWYXSNFSA-N 0 0 328.441 3.683 50 10 EHCARN CC(C)Oc1ccccc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000048345713 213927458 /nfs/dbraw/zinc/92/74/58/213927458.db2.gz FFZBYNOBSKMXPH-UHFFFAOYSA-N 0 0 327.428 3.862 50 10 EHCARN Cc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C1C(=O)C[C@H](C)CC1=N2 ZINC000102602555 219213260 /nfs/dbraw/zinc/21/32/60/219213260.db2.gz ZGJXMEYFMYYBHM-ZMZPIMSZSA-N 0 0 337.427 3.570 50 10 EHCARN CCOc1cc(/C=C2/SC(=S)N(CC(C)C)C2=O)ccc1O ZINC000002707211 209892631 /nfs/dbraw/zinc/89/26/31/209892631.db2.gz NINQWTZFJPOKLG-RIYZIHGNSA-N 0 0 337.466 3.648 50 10 EHCARN CCCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000032906325 212867003 /nfs/dbraw/zinc/86/70/03/212867003.db2.gz AVCWHYZNVBZQRV-UHFFFAOYSA-N 0 0 335.245 3.996 50 10 EHCARN Cc1cc(/C=C2\SC(=N)NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000023128335 212352723 /nfs/dbraw/zinc/35/27/23/212352723.db2.gz ZTENVIGVKMPGIM-SXGWCWSVSA-N 0 0 325.437 3.850 50 10 EHCARN Cc1cc2oc(=O)c3c(c2c([O-])c1C[N@H+]1CCC[C@@H](C)C1)CCC3 ZINC000019912933 212083461 /nfs/dbraw/zinc/08/34/61/212083461.db2.gz LLIYLPUJZHLKKS-GFCCVEGCSA-N 0 0 327.424 3.528 50 10 EHCARN Cc1cc(C(=O)Cn2cnc3ccccc32)c(C)n1-c1ccccn1 ZINC000012586758 211415511 /nfs/dbraw/zinc/41/55/11/211415511.db2.gz YNDAIQSHJWSNBQ-UHFFFAOYSA-N 0 0 330.391 3.722 50 10 EHCARN CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cccc(OC)c1O ZINC000008774980 211003462 /nfs/dbraw/zinc/00/34/62/211003462.db2.gz BCQYNGDAXVRWQZ-KRWDZBQOSA-N 0 0 338.407 3.879 50 10 EHCARN CCO[C@@H](C)c1nc(CC(=O)N[C@H](CC)c2ccccc2O)cs1 ZINC000096409669 218762769 /nfs/dbraw/zinc/76/27/69/218762769.db2.gz COTVSFDBHFAZPN-SWLSCSKDSA-N 0 0 348.468 3.756 50 10 EHCARN O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1Cc1cccnc1 ZINC000001146701 563376333 /nfs/dbraw/zinc/37/63/33/563376333.db2.gz QYTUMCWUNDRGIX-ZSOIEALJSA-N 0 0 330.409 3.622 50 10 EHCARN CCc1ccc(-n2c(C)cc(C=C3SC(=O)NC3=O)c2C)cc1 ZINC000001211829 563379529 /nfs/dbraw/zinc/37/95/29/563379529.db2.gz OVQJQHKWRIDXAG-MHWRWJLKSA-N 0 0 326.421 3.980 50 10 EHCARN Cc1ccccc1NC(=O)C[C@@H]1SC(=O)N(c2ccccc2)C1=O ZINC000001318051 563383166 /nfs/dbraw/zinc/38/31/66/563383166.db2.gz RKKBKFJEZACNKO-HNNXBMFYSA-N 0 0 340.404 3.592 50 10 EHCARN Cc1nn(-c2ccccc2)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C ZINC000005446604 563533193 /nfs/dbraw/zinc/53/31/93/563533193.db2.gz JLOJSXAPTCXIKQ-MOSHPQCFSA-N 0 0 342.402 3.987 50 10 EHCARN COc1ccc(N2CCN(C(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000006714745 563582027 /nfs/dbraw/zinc/58/20/27/563582027.db2.gz VAORVVDJLMRTEJ-UHFFFAOYSA-N 0 0 338.451 3.583 50 10 EHCARN Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1-c1cccc(O)c1 ZINC000013539835 563700473 /nfs/dbraw/zinc/70/04/73/563700473.db2.gz OOKBNDKJSKBKTB-NVNXTCNLSA-N 0 0 344.461 3.631 50 10 EHCARN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2ccccc2n1 ZINC000032914718 563811718 /nfs/dbraw/zinc/81/17/18/563811718.db2.gz JWHYSLGRRMUIEH-UHFFFAOYSA-N 0 0 331.419 3.765 50 10 EHCARN COc1ccc(N2CCN(Cc3nc4ccccc4s3)CC2)cc1 ZINC000023818232 563867573 /nfs/dbraw/zinc/86/75/73/563867573.db2.gz SZIUPMJUGDXOPV-UHFFFAOYSA-N 0 0 339.464 3.627 50 10 EHCARN c1[nH]c2ncccc2c1C1=CCN(c2ncnc3ccccc32)CC1 ZINC000025151287 563881489 /nfs/dbraw/zinc/88/14/89/563881489.db2.gz MSGSKBJQCYNHGR-UHFFFAOYSA-N 0 0 327.391 3.800 50 10 EHCARN CC(=O)N[C@@H](c1ccccc1Cl)c1ccc2cccnc2c1O ZINC000000102721 563916978 /nfs/dbraw/zinc/91/69/78/563916978.db2.gz GQUKAAWDXGPUOG-KRWDZBQOSA-N 0 0 326.783 3.819 50 10 EHCARN Cn1[n-]c(C(F)(F)F)c(C=Nc2cc(Cl)cc(Cl)c2)c1=O ZINC000100271377 563992060 /nfs/dbraw/zinc/99/20/60/563992060.db2.gz OIIJVIQCADYCHO-UITAMQMPSA-N 0 0 338.116 3.680 50 10 EHCARN CCN1C(=O)C(=Cc2c[nH]nc2-c2ccc(C)cc2)SC1=S ZINC000005807201 563994255 /nfs/dbraw/zinc/99/42/55/563994255.db2.gz DVGQMCROSJJBQF-MDWZMJQESA-N 0 0 329.450 3.606 50 10 EHCARN CCOc1ccccc1N1C(=O)/C(=C/c2cccn2C)SC1=S ZINC000005215792 564001120 /nfs/dbraw/zinc/00/11/20/564001120.db2.gz NPCWSNYSMHSYEX-PTNGSMBKSA-N 0 0 344.461 3.830 50 10 EHCARN CCOC(=O)/C(=C/c1ccc(N(C)C)cc1)c1nc2ccccc2[nH]1 ZINC000005499596 564032424 /nfs/dbraw/zinc/03/24/24/564032424.db2.gz XXUPOMSXDZQKHH-DTQAZKPQSA-N 0 0 335.407 3.733 50 10 EHCARN Cc1ccc(O)c(C2=NN[C@H](c3cc(Br)ccc3O)C2)c1 ZINC000000950330 564053709 /nfs/dbraw/zinc/05/37/09/564053709.db2.gz UHACMSRMHDDGBU-AWEZNQCLSA-N 0 0 347.212 3.607 50 10 EHCARN COc1ccc(C2=NN(C(=O)C(C)C)[C@@H](c3ccccc3O)C2)cc1 ZINC000012779269 564069735 /nfs/dbraw/zinc/06/97/35/564069735.db2.gz VMLNYTBSGBSJTM-GOSISDBHSA-N 0 0 338.407 3.735 50 10 EHCARN CC1CC[NH+](Cc2c([O-])ccc3c4c(c(=O)oc32)CCCC4)CC1 ZINC000006142181 564090760 /nfs/dbraw/zinc/09/07/60/564090760.db2.gz GEEDXBARCMXBCA-UHFFFAOYSA-N 0 0 327.424 3.609 50 10 biogenic EHCARN COCCCNC(=O)c1ccc(-n2c(C)cc3c2CC[C@H](C)C3)cc1 ZINC000006877974 564100406 /nfs/dbraw/zinc/10/04/06/564100406.db2.gz VEWYMMSVIWJEOC-HNNXBMFYSA-N 0 0 340.467 3.677 50 10 EHCARN O=C(N1N=C(c2ccccc2O)C[C@@H]1c1ccccc1)C(F)(F)F ZINC000170620255 564110266 /nfs/dbraw/zinc/11/02/66/564110266.db2.gz DPVNKEJEWVKDFZ-CQSZACIVSA-N 0 0 334.297 3.632 50 10 EHCARN Cc1cccc(N=Nc2c(N)nn3c2[nH]c(=O)cc3C(F)(F)F)c1 ZINC000253531457 564133044 /nfs/dbraw/zinc/13/30/44/564133044.db2.gz RHXPXSHUCNQOFT-UHFFFAOYSA-N 0 0 336.277 3.760 50 10 EHCARN Oc1ccccc1CN(Cc1ccco1)Cc1nnc(C2CCC2)o1 ZINC000096410330 564147606 /nfs/dbraw/zinc/14/76/06/564147606.db2.gz CABJMYFGZVMCDH-UHFFFAOYSA-N 0 0 339.395 3.838 50 10 EHCARN COc1cccc(C=C2SC(Nc3ccc(C)cc3)=NC2=O)c1O ZINC000096663336 1038425523 /nfs/dbraw/zinc/42/55/23/1038425523.db2.gz OLDKETMMAFOXPV-XNTDXEJSSA-N 0 0 340.404 3.792 50 10 EHCARN Cc1cc2oc(=O)c3c(c2c([O-])c1C[NH+]1CCC(C)CC1)CCCC3 ZINC000004540344 210217103 /nfs/dbraw/zinc/21/71/03/210217103.db2.gz MOOOOAKOGGRDCN-UHFFFAOYSA-N 0 0 341.451 3.918 50 10 EHCARN O=C1NN=C(c2ccccc2)C1=CNc1ccc(C(F)(F)F)cc1 ZINC000100406352 219098440 /nfs/dbraw/zinc/09/84/40/219098440.db2.gz IHNMVALFEBJQGR-GXDHUFHOSA-N 0 0 331.297 3.535 50 10 EHCARN Cc1cc(C(=O)CSc2cccc[n+]2[O-])c(C)n1-c1ccccc1 ZINC000003337072 210012542 /nfs/dbraw/zinc/01/25/42/210012542.db2.gz NZCDKYVOTDASIH-UHFFFAOYSA-N 0 0 338.432 3.703 50 10 EHCARN C[C@H](NC(=O)COc1ccccc1F)c1ccc(N2CCCC2)cc1 ZINC000067621368 215168828 /nfs/dbraw/zinc/16/88/28/215168828.db2.gz AQGOYOUTYHPCCW-HNNXBMFYSA-N 0 0 342.414 3.682 50 10 EHCARN Cc1ccccc1NC1=NC(=O)C(=Cc2cccc3c2OCO3)S1 ZINC000040139642 213271317 /nfs/dbraw/zinc/27/13/17/213271317.db2.gz FOERLEHWINUVBN-OQLLNIDSSA-N 0 0 338.388 3.806 50 10 EHCARN COc1ccc(/C=C2\SC(=S)N(c3ccccc3O)C2=O)cc1 ZINC000001297953 209724606 /nfs/dbraw/zinc/72/46/06/209724606.db2.gz OAHKMXDDNWWAPP-GDNBJRDFSA-N 0 0 343.429 3.807 50 10 EHCARN Cc1ccc(SCCNC(=O)CSc2nccs2)cc1C ZINC000032932510 212877504 /nfs/dbraw/zinc/87/75/04/212877504.db2.gz QTJLPFCMDCQFQR-UHFFFAOYSA-N 0 0 338.523 3.761 50 10 EHCARN Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2Cl)cc1 ZINC000000065406 209397097 /nfs/dbraw/zinc/39/70/97/209397097.db2.gz MZLARZWVLAPYDN-UHFFFAOYSA-N 0 0 325.817 3.772 50 10 EHCARN CCN1C(=O)/C(=C\c2ccccc2OC(F)(F)F)SC1=S ZINC000022016080 212269962 /nfs/dbraw/zinc/26/99/62/212269962.db2.gz CNVWYATWURVTFJ-JXMROGBWSA-N 0 0 333.356 3.806 50 10 EHCARN C[NH+](C)Cc1c([O-])ccc2c(=O)c(-c3ccccc3Cl)coc21 ZINC000019791811 212067871 /nfs/dbraw/zinc/06/78/71/212067871.db2.gz PHXTXIXKEZXMDM-UHFFFAOYSA-N 0 0 329.783 3.881 50 10 biogenic EHCARN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccnc1-n1cccn1 ZINC000078394090 217046563 /nfs/dbraw/zinc/04/65/63/217046563.db2.gz RAYPSBKGFRSIEA-UHFFFAOYSA-N 0 0 349.221 3.570 50 10 EHCARN CCN(CCO)c1ccc(/N=N/c2ncc([N+](=O)[O-])s2)c(C)c1 ZINC000005139570 210398134 /nfs/dbraw/zinc/39/81/34/210398134.db2.gz UIHYHADQHHUIOF-WUKNDPDISA-N 0 0 335.389 3.594 50 10 EHCARN Cc1cc(C(=O)COC(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 ZINC000003509759 208562577 /nfs/dbraw/zinc/56/25/77/208562577.db2.gz SHVLHUKMVNMHMI-UHFFFAOYSA-N 0 0 341.338 3.866 50 10 EHCARN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(F)cc1 ZINC000007128631 258052935 /nfs/dbraw/zinc/05/29/35/258052935.db2.gz 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/nfs/dbraw/zinc/96/83/84/563968384.db2.gz QVTUTXKZXGMXQW-MHWRWJLKSA-N 0 0 336.343 3.602 50 10 EHCARN COc1ccc(C2=C/C(=C/c3ccc(F)cc3)C(=O)O2)c(OC)c1 ZINC000000199975 563988312 /nfs/dbraw/zinc/98/83/12/563988312.db2.gz ZKSPNEOOTPIGTL-LCYFTJDESA-N 0 0 326.323 3.824 50 10 EHCARN O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc21)c1ccn[nH]1 ZINC000048360826 564031415 /nfs/dbraw/zinc/03/14/15/564031415.db2.gz WZFXZOOGMQUEOK-HXUWFJFHSA-N 0 0 343.386 3.788 50 10 EHCARN Cc1ocnc1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000225707845 564049619 /nfs/dbraw/zinc/04/96/19/564049619.db2.gz MHJWUHCTYUSXTH-GFCCVEGCSA-N 0 0 347.846 3.803 50 10 EHCARN COc1cccc2c1O[C@H](C(C)C)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000006721701 564096415 /nfs/dbraw/zinc/09/64/15/564096415.db2.gz VCVUMIIGVDZHLQ-OXJNMPFZSA-N 0 0 338.407 3.926 50 10 EHCARN CCC(=O)N1N=C(c2cccc(OC)c2O)C[C@@H]1c1cccc(C)c1 ZINC000170618463 564110133 /nfs/dbraw/zinc/11/01/33/564110133.db2.gz YOGBTRHATMUHCQ-QGZVFWFLSA-N 0 0 338.407 3.797 50 10 EHCARN Cc1c(C(=O)NCCc2ccc(O)c(O)c2)oc2c1c(C)ccc2C ZINC000089626902 564112779 /nfs/dbraw/zinc/11/27/79/564112779.db2.gz WMRFQKJXXBRXQP-UHFFFAOYSA-N 0 0 339.391 3.742 50 10 EHCARN Cc1ccc([C@H]2CC(c3cc(Br)ccc3O)=NN2)cc1 ZINC000000462827 564116725 /nfs/dbraw/zinc/11/67/25/564116725.db2.gz UBAVJSAWIHFCLP-CQSZACIVSA-N 0 0 331.213 3.902 50 10 EHCARN COc1cccc(OC)c1C=C1SC(NC2CCCCC2)=NC1=O ZINC000221961772 1138232422 /nfs/dbraw/zinc/23/24/22/1138232422.db2.gz LHOCVJLTTJZFBE-WJDWOHSUSA-N 0 0 346.452 3.596 50 10 EHCARN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccco1 ZINC000004703011 210254004 /nfs/dbraw/zinc/25/40/04/210254004.db2.gz LVFPDMOONMSLBO-BOPFTXTBSA-N 0 0 337.375 3.774 50 10 EHCARN Cc1cc(C)c(O)c(C2=NN[C@H](c3ccc(Br)o3)C2)c1 ZINC000004423351 210190619 /nfs/dbraw/zinc/19/06/19/210190619.db2.gz CVDDLJMDFOXTFU-LBPRGKRZSA-N 0 0 335.201 3.803 50 10 EHCARN CC(C)N1C(=O)/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000003901721 210088517 /nfs/dbraw/zinc/08/85/17/210088517.db2.gz XSBGPFKXNCNRJA-XKZGMXHESA-N 0 0 334.422 3.761 50 10 EHCARN CCOc1ccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)cc1 ZINC000037866350 213171304 /nfs/dbraw/zinc/17/13/04/213171304.db2.gz LEXOGHWMHREIFB-PTNGSMBKSA-N 0 0 342.445 3.886 50 10 EHCARN CCn1c(C)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1C ZINC000000463892 209616822 /nfs/dbraw/zinc/61/68/22/209616822.db2.gz UTBZZRLDHQXSFC-CXUHLZMHSA-N 0 0 343.814 3.876 50 10 EHCARN CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccc(Cl)cc3)C2=N)S1 ZINC000000054315 209391598 /nfs/dbraw/zinc/39/15/98/209391598.db2.gz FFERDZJYHNFIJK-XZPRFMIFSA-N 0 0 332.816 3.615 50 10 EHCARN O=C(NCCCSc1nccs1)C12CC3CC(CC(C3)C1)C2 ZINC000078713577 217106977 /nfs/dbraw/zinc/10/69/77/217106977.db2.gz GIGGJINXMYMVPU-UHFFFAOYSA-N 0 0 336.526 3.958 50 10 EHCARN CCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc(OC)c1O ZINC000004942461 210333754 /nfs/dbraw/zinc/33/37/54/210333754.db2.gz SZEWRGYCLBCOAU-ZDUSSCGKSA-N 0 0 330.409 3.550 50 10 EHCARN C[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)C1CCOCC1 ZINC000132581880 533281429 /nfs/dbraw/zinc/28/14/29/533281429.db2.gz TUYNFOMVAGWAAE-QGZVFWFLSA-N 0 0 344.499 3.602 50 10 EHCARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1cccc(F)c1 ZINC000001172635 563377459 /nfs/dbraw/zinc/37/74/59/563377459.db2.gz CCDBFVZQIVLYCS-VGOFMYFVSA-N 0 0 332.425 3.722 50 10 EHCARN CC1(C)OC(=O)C(=CSc2ccc(Cl)cc2Cl)C(=O)O1 ZINC000001404294 563387670 /nfs/dbraw/zinc/38/76/70/563387670.db2.gz QTNKIUHHQFMJPM-UHFFFAOYSA-N 0 0 333.192 3.806 50 10 EHCARN Cc1ccc(NC(=O)Cc2nc(-c3ccc(O)c(O)c3)cs2)cc1 ZINC000012805382 563674551 /nfs/dbraw/zinc/67/45/51/563674551.db2.gz HUROYQBYHMRMGN-UHFFFAOYSA-N 0 0 340.404 3.711 50 10 EHCARN CN(C)c1ccc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)cc1 ZINC000016941203 563826504 /nfs/dbraw/zinc/82/65/04/563826504.db2.gz LAUOVTMEHBOMBI-UHFFFAOYSA-N 0 0 336.420 3.713 50 10 EHCARN COc1ccc(N2CCN(C/C=C/c3ccccc3OC)CC2)cc1 ZINC000023281844 563918881 /nfs/dbraw/zinc/91/88/81/563918881.db2.gz FFSGCRBYTNWUOJ-FNORWQNLSA-N 0 0 338.451 3.539 50 10 EHCARN Cc1cccc(OCC(=O)N[C@H](C)c2ccc(N3CCCC3)cc2)c1 ZINC000065362645 563958194 /nfs/dbraw/zinc/95/81/94/563958194.db2.gz UPDHCDCKWXFHSN-QGZVFWFLSA-N 0 0 338.451 3.851 50 10 EHCARN COc1ccc(N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1 ZINC000005094388 563994301 /nfs/dbraw/zinc/99/43/01/563994301.db2.gz XCTYPZJTXHLCLB-UHFFFAOYSA-N 0 0 338.451 3.781 50 10 EHCARN CCc1ccccc1N1C(=O)/C(=C\c2cccn2C)SC1=S ZINC000005213991 564001104 /nfs/dbraw/zinc/00/11/04/564001104.db2.gz SAPZPPTVWBIXOB-RVDMUPIBSA-N 0 0 328.462 3.993 50 10 EHCARN Cc1cc(C(=O)CSc2nc[nH]n2)c(C)n1-c1ccc(Cl)cc1 ZINC000005620756 564006574 /nfs/dbraw/zinc/00/65/74/564006574.db2.gz WGSOMFWMHPSSOE-UHFFFAOYSA-N 0 0 346.843 3.841 50 10 EHCARN CCc1sc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C ZINC000007181467 564034223 /nfs/dbraw/zinc/03/42/23/564034223.db2.gz IBUJTQNYVRKZJG-UHFFFAOYSA-N 0 0 344.480 3.590 50 10 EHCARN COC(=O)c1ccc2c(c1)CCCN2Cc1c(O)ccc2ncccc21 ZINC000083895852 564064405 /nfs/dbraw/zinc/06/44/05/564064405.db2.gz BFSSYICZIJQWJU-UHFFFAOYSA-N 0 0 348.402 3.680 50 10 EHCARN COc1cccc2c1O[C@@H](C(C)C)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000006721702 564096409 /nfs/dbraw/zinc/09/64/09/564096409.db2.gz VCVUMIIGVDZHLQ-JXFKEZNVSA-N 0 0 338.407 3.926 50 10 EHCARN CCCOc1ccccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000170609666 564109703 /nfs/dbraw/zinc/10/97/03/564109703.db2.gz LBONWRKHXURSMU-ZDUSSCGKSA-N 0 0 344.411 3.639 50 10 EHCARN O=C([C@H]1C[C@@H]1c1cccnc1)N(Cc1ccco1)Cc1ccccc1O ZINC000069975206 564173025 /nfs/dbraw/zinc/17/30/25/564173025.db2.gz PPOPCODETVKEFA-MOPGFXCFSA-N 0 0 348.402 3.713 50 10 EHCARN CCc1ccccc1-n1c(C)cc(C=C2SC(=O)NC2=O)c1C ZINC000004704768 210255138 /nfs/dbraw/zinc/25/51/38/210255138.db2.gz AQICXVWPLBXISM-MHWRWJLKSA-N 0 0 326.421 3.980 50 10 EHCARN C[C@@H](O[C@@H]1CC(=O)Cc2c(O)c3ccccc3c(O)c21)c1ccccc1 ZINC000004568269 210223834 /nfs/dbraw/zinc/22/38/34/210223834.db2.gz QPZYNQGSSNBJQS-AQWZQNETSA-N 0 0 348.398 3.807 50 10 EHCARN CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(N)cc3)n2)s1 ZINC000004116996 210123316 /nfs/dbraw/zinc/12/33/16/210123316.db2.gz 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211572939 /nfs/dbraw/zinc/57/29/39/211572939.db2.gz VHCCFCNOELPFCN-ATVHPVEESA-N 0 0 336.391 3.900 50 10 EHCARN CCOc1ccc(C=C2SC(NC3CCCCC3)=NC2=O)cc1 ZINC000012820981 211465392 /nfs/dbraw/zinc/46/53/92/211465392.db2.gz QZBAYBZBJLFGCV-VBKFSLOCSA-N 0 0 330.453 3.978 50 10 EHCARN CCCC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1O ZINC000008774925 211003685 /nfs/dbraw/zinc/00/36/85/211003685.db2.gz GMHVGTCGMOWSAV-SFHVURJKSA-N 0 0 338.407 3.879 50 10 EHCARN COc1ccc(C=C2SC(NC3CCCCC3)=NC2=O)cc1C ZINC000096793789 218890925 /nfs/dbraw/zinc/89/09/25/218890925.db2.gz VMNAQYYPBWKOSV-LFIBNONCSA-N 0 0 330.453 3.896 50 10 EHCARN CN(C)c1ccc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)cc1 ZINC000005140097 210398955 /nfs/dbraw/zinc/39/89/55/210398955.db2.gz UZLQIUWEJNAISS-WJDWOHSUSA-N 0 0 341.411 3.974 50 10 EHCARN CCn1c(-c2ccccc2)cnc1SCC(=O)N[C@@H](C)C(C)C ZINC000007126668 258052880 /nfs/dbraw/zinc/05/28/80/258052880.db2.gz ZDDHGVXRVYBUAW-AWEZNQCLSA-N 0 0 331.485 3.823 50 10 EHCARN CC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1c(F)cccc1Cl ZINC000006701762 563580136 /nfs/dbraw/zinc/58/01/36/563580136.db2.gz SDDOMSRMWSQWAA-OAHLLOKOSA-N 0 0 332.762 3.882 50 10 EHCARN CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc(O)cc1C ZINC000018194236 563850696 /nfs/dbraw/zinc/85/06/96/563850696.db2.gz UXFWLYSFFUHWHG-YBEGLDIGSA-N 0 0 325.343 3.558 50 10 EHCARN Cc1cc(C)cc(NC=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c1 ZINC000084083787 563950443 /nfs/dbraw/zinc/95/04/43/563950443.db2.gz BGOIUOZHNFOKTQ-WJQTUHTMSA-N 0 0 348.493 3.596 50 10 EHCARN Cc1ccc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc1 ZINC000000121374 563986739 /nfs/dbraw/zinc/98/67/39/563986739.db2.gz WYJVUFMIXBVQQD-CRFANRBNSA-N 0 0 326.425 3.660 50 10 EHCARN O=C(c1ccccc1)N1C(=O)/C(=C\c2ccccc2)SC1=S ZINC000001512756 564003584 /nfs/dbraw/zinc/00/35/84/564003584.db2.gz UKLXNBQUAHAGQM-SDNWHVSQSA-N 0 0 325.414 3.728 50 10 EHCARN Cc1cc(C(N)=O)c(C)n1-c1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000012531130 564058277 /nfs/dbraw/zinc/05/82/77/564058277.db2.gz JNRJAHZAKJIKDC-UHFFFAOYSA-N 0 0 330.391 3.736 50 10 EHCARN O=C(Cc1ccccc1)Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC000075284311 564081597 /nfs/dbraw/zinc/08/15/97/564081597.db2.gz YIVXIXVHSRHQKZ-UHFFFAOYSA-N 0 0 342.350 3.610 50 10 EHCARN CCN1C(=O)/C(=C\c2c(F)c(F)c(F)c(F)c2F)SC1=S ZINC000016404956 564084802 /nfs/dbraw/zinc/08/48/02/564084802.db2.gz RXNPEASDNKXEOZ-HWKANZROSA-N 0 0 339.310 3.603 50 10 EHCARN CCNc1cc(NCC(C)C)c(N)c2c1C(=O)c1ccccc1C2=O ZINC000006664921 564095637 /nfs/dbraw/zinc/09/56/37/564095637.db2.gz QNPACIUQRNMRNN-UHFFFAOYSA-N 0 0 337.423 3.544 50 10 EHCARN Cc1cc(=O)[nH]c2c(N=Nc3ccc(Br)cc3)c(N)nn21 ZINC000253531470 564133047 /nfs/dbraw/zinc/13/30/47/564133047.db2.gz UQJKSKDYWCQLRV-UHFFFAOYSA-N 0 0 347.176 3.503 50 10 EHCARN CCCO[C@H]1CCCN(c2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC000004168926 564161001 /nfs/dbraw/zinc/16/10/01/564161001.db2.gz WXBMPCQDCIWPOD-HNNXBMFYSA-N 0 0 349.430 3.857 50 10 EHCARN Cc1cnc(C2CC2)n1C[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000581807423 1132370032 /nfs/dbraw/zinc/37/00/32/1132370032.db2.gz 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CCCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc(OC)c1O ZINC000009970817 211137235 /nfs/dbraw/zinc/13/72/35/211137235.db2.gz HSDZLAYZLVEBRG-CQSZACIVSA-N 0 0 344.436 3.940 50 10 EHCARN O=C(c1ccccc1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O ZINC000009260494 211059748 /nfs/dbraw/zinc/05/97/48/211059748.db2.gz RBLULJOTNCOCPP-LJQANCHMSA-N 0 0 343.386 3.779 50 10 EHCARN CC(C)(C)c1n[nH]cc1C=C1SC(=S)N(c2cccnc2)C1=O ZINC000096401827 218750302 /nfs/dbraw/zinc/75/03/02/218750302.db2.gz YRJXMCCNKIDSCL-KPKJPENVSA-N 0 0 344.465 3.508 50 10 EHCARN CCN1C(=O)/C(=C\c2ccc(OC(F)F)c(OC)c2)SC1=S ZINC000005868329 210551621 /nfs/dbraw/zinc/55/16/21/210551621.db2.gz YDELTNHHKURKJP-YRNVUSSQSA-N 0 0 345.392 3.518 50 10 EHCARN CN1C(=O)/C(=C/c2ccc(SCc3ccco3)o2)SC1=S ZINC000005025797 210364766 /nfs/dbraw/zinc/36/47/66/210364766.db2.gz NATXMVDQKKPMNU-XFFZJAGNSA-N 0 0 337.447 3.996 50 10 EHCARN CCOc1ccc(N(C)Cc2cc(=O)oc3ccc(OC)cc23)cc1 ZINC000004943069 210333818 /nfs/dbraw/zinc/33/38/18/210333818.db2.gz JPIKUHSRNJGLEK-UHFFFAOYSA-N 0 0 339.391 3.837 50 10 EHCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(F)c1 ZINC000004905099 210319796 /nfs/dbraw/zinc/31/97/96/210319796.db2.gz FDOYNBGWJFZVKM-UHFFFAOYSA-N 0 0 345.329 3.853 50 10 EHCARN COc1ccc(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)cc1 ZINC000007489476 135680406 /nfs/dbraw/zinc/68/04/06/135680406.db2.gz YAUQKPYDLLXVFV-UHFFFAOYSA-N 0 0 349.434 3.672 50 10 EHCARN CCOC(=O)c1c(NCc2cc(OC)ccc2O)sc2c1CCC2 ZINC000000477236 563335117 /nfs/dbraw/zinc/33/51/17/563335117.db2.gz WCOMZBAGLWPPEM-UHFFFAOYSA-N 0 0 347.436 3.740 50 10 EHCARN CCN1C(=O)/C(=C/c2ccccc2Br)SC1=S ZINC000001188597 563378091 /nfs/dbraw/zinc/37/80/91/563378091.db2.gz IDIQAAJSBJFKLX-YFHOEESVSA-N 0 0 328.256 3.670 50 10 EHCARN CCN1c2ccccc2S/C1=C/C=C1\SC(=S)N(C)C1=O ZINC000001225219 563380403 /nfs/dbraw/zinc/38/04/03/563380403.db2.gz MLLFSPQVPQRZIN-QRBCZBMESA-N 0 0 334.491 3.834 50 10 EHCARN CCOc1ccc(N2C(=O)/C(=C\c3ccccn3)SC2=S)cc1 ZINC000005214774 563522948 /nfs/dbraw/zinc/52/29/48/563522948.db2.gz LEXOGHWMHREIFB-RVDMUPIBSA-N 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564138338 /nfs/dbraw/zinc/13/83/38/564138338.db2.gz NOBHDQACOSQUPR-KRWDZBQOSA-N 0 0 325.387 3.958 50 10 EHCARN C[C@@H]1CN(c2ccc(CNC(=O)C3CCCCC3)cc2F)C[C@H](C)O1 ZINC000048354853 1042318957 /nfs/dbraw/zinc/31/89/57/1042318957.db2.gz IIUPPWSFSUEZKH-GASCZTMLSA-N 0 0 348.462 3.636 50 10 EHCARN O=C1Nc2ccccc2/C1=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000033422537 1122704942 /nfs/dbraw/zinc/70/49/42/1122704942.db2.gz DNHGWVRVVAZXAB-PTNGSMBKSA-N 0 0 335.363 3.688 50 10 EHCARN Cc1nn(-c2ccccc2)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C ZINC000033735478 1123040792 /nfs/dbraw/zinc/04/07/92/1123040792.db2.gz JLOJSXAPTCXIKQ-DEDYPNTBSA-N 0 0 342.402 3.987 50 10 EHCARN O=C1c2ccccc2C(=O)C1[C@@H](C[N+](=O)[O-])c1c(F)cccc1Cl ZINC000100394190 219098502 /nfs/dbraw/zinc/09/85/02/219098502.db2.gz YQPHJQROGCTWQA-NSHDSACASA-N 0 0 347.729 3.535 50 10 EHCARN Cc1cc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)c(C)n1-c1ccccn1 ZINC000067811415 215218577 /nfs/dbraw/zinc/21/85/77/215218577.db2.gz VFRXTVNUSCEFKP-MOPGFXCFSA-N 0 0 331.419 3.775 50 10 EHCARN Cc1n[nH]c(C)c1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O ZINC000040139646 213270750 /nfs/dbraw/zinc/27/07/50/213270750.db2.gz OYHUBFCBBDLZDO-QPEQYQDCSA-N 0 0 333.413 3.571 50 10 EHCARN CCOc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1OC ZINC000001427377 209746313 /nfs/dbraw/zinc/74/63/13/209746313.db2.gz IHHOJQQMPVARNY-FOWTUZBSSA-N 0 0 346.452 3.550 50 10 EHCARN CN(C)c1ccc([C@@H]2C[C@@H](c3cccs3)Nc3ncnn32)cc1 ZINC000000080792 209406551 /nfs/dbraw/zinc/40/65/51/209406551.db2.gz OLEVJJXTKBJNDN-GJZGRUSLSA-N 0 0 325.441 3.552 50 10 EHCARN C[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)C1CCOCC1 ZINC000132581666 223344801 /nfs/dbraw/zinc/34/48/01/223344801.db2.gz TUYNFOMVAGWAAE-KRWDZBQOSA-N 0 0 344.499 3.602 50 10 EHCARN CC(C)c1noc(CC2(c3ccccc3)C(=O)c3ccccc3C2=O)n1 ZINC000020993055 212194784 /nfs/dbraw/zinc/19/47/84/212194784.db2.gz GTONJXYSLXLGGO-UHFFFAOYSA-N 0 0 346.386 3.753 50 10 EHCARN Cc1cnc(N2C(=O)[C@@H](C)S[C@@H]2c2ccc(N(C)C)cc2)s1 ZINC000019927684 212085008 /nfs/dbraw/zinc/08/50/08/212085008.db2.gz 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/nfs/dbraw/zinc/29/17/68/210291768.db2.gz LXHIAUXUHAZAHT-XFFZJAGNSA-N 0 0 348.276 3.841 50 10 EHCARN COc1ccc(N2CCN(c3cc(C)c4ccccc4n3)CC2)cc1 ZINC000006823799 135677391 /nfs/dbraw/zinc/67/73/91/135677391.db2.gz BEKDMWUPVWIZGM-UHFFFAOYSA-N 0 0 333.435 3.878 50 10 EHCARN CCOc1ccc(C=C2SC(Nc3ccccc3O)=NC2=O)cc1 ZINC000000350554 563289473 /nfs/dbraw/zinc/28/94/73/563289473.db2.gz BYWAMBNNRJMQCX-LFIBNONCSA-N 0 0 340.404 3.873 50 10 EHCARN O=S(=O)(Nc1ccc(O)cc1)c1ccc(-c2ccccc2)cc1 ZINC000000470855 563331370 /nfs/dbraw/zinc/33/13/70/563331370.db2.gz SZOPCHOOHZIDKC-UHFFFAOYSA-N 0 0 325.389 3.860 50 10 EHCARN O=C1/C(=C\c2ccccc2)SC(=S)N1CNc1ccccc1 ZINC000000985478 563367336 /nfs/dbraw/zinc/36/73/36/563367336.db2.gz DJSRQTYEPJPZPI-RVDMUPIBSA-N 0 0 326.446 3.957 50 10 EHCARN COc1ccc2c3ccc(OCC(=O)C(C)(C)C)cc3oc(=O)c2c1 ZINC000001165215 563376953 /nfs/dbraw/zinc/37/69/53/563376953.db2.gz TZDUNJUJCBEFLD-UHFFFAOYSA-N 0 0 340.375 3.949 50 10 EHCARN Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1cccc(F)c1 ZINC000001172931 563377369 /nfs/dbraw/zinc/37/73/69/563377369.db2.gz DKIKRKKVOFFACD-OVCLIPMQSA-N 0 0 330.384 3.899 50 10 EHCARN COCCN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S ZINC000002288772 563428394 /nfs/dbraw/zinc/42/83/94/563428394.db2.gz XQWVBXCCSZQBNQ-PTNGSMBKSA-N 0 0 329.446 3.687 50 10 EHCARN COCCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=S ZINC000002677641 563445511 /nfs/dbraw/zinc/44/55/11/563445511.db2.gz OJRQYQHHMVWUBC-SDNWHVSQSA-N 0 0 335.494 3.832 50 10 EHCARN CCCCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S ZINC000005502654 563535671 /nfs/dbraw/zinc/53/56/71/563535671.db2.gz IXADVYUUICIPJR-JLHYYAGUSA-N 0 0 336.438 3.986 50 10 EHCARN Cc1c(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)cnn1C ZINC000002798474 563615213 /nfs/dbraw/zinc/61/52/13/563615213.db2.gz BGUPLCQLHDVTHY-KMHUVPDISA-N 0 0 343.477 3.691 50 10 EHCARN O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1c1ccccc1 ZINC000002892122 563619667 /nfs/dbraw/zinc/61/96/67/563619667.db2.gz HRAFGHWKNFRMCY-ZROIWOOFSA-N 0 0 329.402 3.504 50 10 EHCARN Nc1ccc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000012396526 563659641 /nfs/dbraw/zinc/65/96/41/563659641.db2.gz SFXGNGGTOITZHM-UHFFFAOYSA-N 0 0 336.266 3.898 50 10 EHCARN CCOc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1OC ZINC000013547659 563701074 /nfs/dbraw/zinc/70/10/74/563701074.db2.gz IHHOJQQMPVARNY-VBKFSLOCSA-N 0 0 346.452 3.550 50 10 EHCARN Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1-c1ccccc1O ZINC000013554272 563701519 /nfs/dbraw/zinc/70/15/19/563701519.db2.gz CJDFQIXZPZCUIQ-DHDCSXOGSA-N 0 0 344.461 3.631 50 10 EHCARN CCOc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1OC ZINC000015016248 563772365 /nfs/dbraw/zinc/77/23/65/563772365.db2.gz SDQMFLNNRCAVQP-LGMDPLHJSA-N 0 0 336.391 3.900 50 10 EHCARN O=c1[nH]nc2c3c1ccc(NC1CCCCC1)c3C(=O)c1ccccc1-2 ZINC000017779352 563845481 /nfs/dbraw/zinc/84/54/81/563845481.db2.gz GAEAXAZUJNAMFO-UHFFFAOYSA-N 0 0 345.402 3.879 50 10 EHCARN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccn(C)n2)c1 ZINC000025169493 563881931 /nfs/dbraw/zinc/88/19/31/563881931.db2.gz BCBBSJJKUFIZBY-UHFFFAOYSA-N 0 0 328.803 3.733 50 10 EHCARN COc1ccc(NCc2cc(Br)ccc2O)cc1F ZINC000044836294 563926793 /nfs/dbraw/zinc/92/67/93/563926793.db2.gz VTUZNDHQOQNICE-UHFFFAOYSA-N 0 0 326.165 3.915 50 10 EHCARN O=C1/C(=C\c2ccccc2O)SC(=S)N1Cc1ccccc1 ZINC000013756587 564020664 /nfs/dbraw/zinc/02/06/64/564020664.db2.gz VLXOALANDYHFIS-XNTDXEJSSA-N 0 0 327.430 3.794 50 10 EHCARN COc1ccc(C=C2SC(Nc3ccccc3)=NC2=O)c(OC)c1 ZINC000000552637 564023017 /nfs/dbraw/zinc/02/30/17/564023017.db2.gz VLTFLEBAIZPAMB-YBEGLDIGSA-N 0 0 340.404 3.786 50 10 EHCARN CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc21 ZINC000000245324 564023477 /nfs/dbraw/zinc/02/34/77/564023477.db2.gz DGJBDLGVFUCLON-IBGZPJMESA-N 0 0 336.347 3.679 50 10 EHCARN Oc1c([C@H](Nc2nccs2)c2cccnc2)ccc2cccnc21 ZINC000001106304 564054452 /nfs/dbraw/zinc/05/44/52/564054452.db2.gz GRQALDDEXYEUFH-OAHLLOKOSA-N 0 0 334.404 3.993 50 10 EHCARN CCOc1ccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)cc1 ZINC000001746440 564056846 /nfs/dbraw/zinc/05/68/46/564056846.db2.gz XZHLANLDWFEBRY-GDNBJRDFSA-N 0 0 342.445 3.886 50 10 EHCARN COC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3 ZINC000001315182 564063105 /nfs/dbraw/zinc/06/31/05/564063105.db2.gz VYWMINAISHPMPB-UHFFFAOYSA-N 0 0 328.393 3.804 50 10 EHCARN CCC[C@H](C[N+](=O)[O-])C1(c2ccccc2)C(=O)c2ccccc2C1=O ZINC000075286091 564081540 /nfs/dbraw/zinc/08/15/40/564081540.db2.gz MNRQWNSTPFAXEK-OAHLLOKOSA-N 0 0 337.375 3.697 50 10 EHCARN CCC[C@@H](C[N+](=O)[O-])C1(c2ccccc2)C(=O)c2ccccc2C1=O ZINC000075286090 564081563 /nfs/dbraw/zinc/08/15/63/564081563.db2.gz MNRQWNSTPFAXEK-HNNXBMFYSA-N 0 0 337.375 3.697 50 10 EHCARN Cc1csc(NC(=O)C(=O)c2cc(C)n(-c3ccccc3)c2C)n1 ZINC000006780851 564097591 /nfs/dbraw/zinc/09/75/91/564097591.db2.gz FQUDQTQILLMDQQ-UHFFFAOYSA-N 0 0 339.420 3.680 50 10 EHCARN CC(=O)N1N=C(c2ccccc2O)C[C@H]1c1ccc(F)c(Cl)c1 ZINC000170618973 564110137 /nfs/dbraw/zinc/11/01/37/564110137.db2.gz YJDVGOLCFLLFMM-INIZCTEOSA-N 0 0 332.762 3.882 50 10 EHCARN Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000008171998 564163300 /nfs/dbraw/zinc/16/33/00/564163300.db2.gz KQJMZLPNCSJYDG-HNNXBMFYSA-N 0 0 328.481 3.858 50 10 EHCARN CCN1C(=O)C(=CNc2ccc(Br)cc2)SC1=S ZINC000105033437 1139292700 /nfs/dbraw/zinc/29/27/00/1139292700.db2.gz RKRYARPGDXKJOV-YFHOEESVSA-N 0 0 343.271 3.583 50 10 EHCARN Cc1ccc(-c2ccc(C=C3SC(=S)NC3=O)o2)cc1[N+](=O)[O-] ZINC000004739900 210266461 /nfs/dbraw/zinc/26/64/61/210266461.db2.gz YYKNERZDMBFTSB-QPEQYQDCSA-N 0 0 346.389 3.652 50 10 EHCARN O=C(NC1CCCCC1)c1nc(-c2ccc(-n3cccc3)cc2)no1 ZINC000004707469 210254876 /nfs/dbraw/zinc/25/48/76/210254876.db2.gz DJHSVBUYZIVXFB-UHFFFAOYSA-N 0 0 336.395 3.590 50 10 EHCARN CN(Cc1ccccc1O)C(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000054785173 214254880 /nfs/dbraw/zinc/25/48/80/214254880.db2.gz NKCADTYBAXNNTG-INIZCTEOSA-N 0 0 344.386 3.587 50 10 EHCARN C[C@H](c1ccccc1)N1C(=O)/C(=C2\C=CC=CN2C)SC1=S ZINC000004545611 210218652 /nfs/dbraw/zinc/21/86/52/210218652.db2.gz LDBSCGUGVMZKKL-DKASORFFSA-N 0 0 328.462 3.835 50 10 EHCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNCc1ccccc1 ZINC000100149108 219092717 /nfs/dbraw/zinc/09/27/17/219092717.db2.gz OFKNZQJWJUCLBK-SFQUDFHCSA-N 0 0 325.799 3.736 50 10 EHCARN COc1cc2c(cc1OC)/C(=C/C(=S)Nc1ccccc1)NCC2 ZINC000101370389 219124211 /nfs/dbraw/zinc/12/42/11/219124211.db2.gz UEKHJOAMSMCCAF-VBKFSLOCSA-N 0 0 340.448 3.630 50 10 EHCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccs1 ZINC000003896024 210086383 /nfs/dbraw/zinc/08/63/83/210086383.db2.gz FIYXIBUMKKQQDP-UHFFFAOYSA-N 0 0 333.368 3.776 50 10 EHCARN Cc1oc2c(ccc([O-])c2C[NH+](C)C)c(=O)c1Oc1ccccc1 ZINC000021486926 212225667 /nfs/dbraw/zinc/22/56/67/212225667.db2.gz HNORBTQIVFBRGQ-UHFFFAOYSA-N 0 0 325.364 3.661 50 10 EHCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1cccc(N)c1 ZINC000020074731 212099489 /nfs/dbraw/zinc/09/94/89/212099489.db2.gz IJYHFIYHDDQQDG-MHWRWJLKSA-N 0 0 326.787 3.641 50 10 EHCARN Cc1cnc(N2C(=O)[C@@H](C)S[C@H]2c2ccc(N(C)C)cc2)s1 ZINC000019927678 212084555 /nfs/dbraw/zinc/08/45/55/212084555.db2.gz VQRFFTGSCRYXFF-ABAIWWIYSA-N 0 0 333.482 3.685 50 10 EHCARN O=C1c2ncn(-c3cccc(C(F)(F)F)c3)c2C(=O)c2ccccc21 ZINC000015906343 211867603 /nfs/dbraw/zinc/86/76/03/211867603.db2.gz ODPNSGKPQUJNJS-UHFFFAOYSA-N 0 0 342.276 3.667 50 10 EHCARN CCOc1ccc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)cc1 ZINC000012436473 211379804 /nfs/dbraw/zinc/37/98/04/211379804.db2.gz VBNYWXIOWVJZMD-VBKFSLOCSA-N 0 0 330.453 3.788 50 10 EHCARN CC(C)CN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S ZINC000006306799 210614407 /nfs/dbraw/zinc/61/44/07/210614407.db2.gz IONMPUVVYKVWBV-NVNXTCNLSA-N 0 0 331.462 3.863 50 10 EHCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1n[nH]c2ccccc21 ZINC000010963552 135689329 /nfs/dbraw/zinc/68/93/29/135689329.db2.gz XLIJYABXUFXRQS-UHFFFAOYSA-N 0 0 348.450 3.825 50 10 EHCARN COc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1 ZINC000000076865 524441658 /nfs/dbraw/zinc/44/16/58/524441658.db2.gz IOEYGCHKPFWDEG-UHFFFAOYSA-N 0 0 349.386 3.647 50 10 biogenic EHCARN Cc1ccccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])o2)SC1=S ZINC000001159590 563376324 /nfs/dbraw/zinc/37/63/24/563376324.db2.gz CKKYLXLCDXZSCB-WQLSENKSSA-N 0 0 346.389 3.902 50 10 EHCARN Cc1ccccc1NC(=O)C[C@H]1SC(=O)N(c2ccccc2)C1=O ZINC000001318053 563383118 /nfs/dbraw/zinc/38/31/18/563383118.db2.gz RKKBKFJEZACNKO-OAHLLOKOSA-N 0 0 340.404 3.592 50 10 EHCARN CCn1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cn1 ZINC000002797730 563616914 /nfs/dbraw/zinc/61/69/14/563616914.db2.gz LWELLTAUPYOAPK-CDCQXCROSA-N 0 0 343.477 3.865 50 10 EHCARN CCOc1ccccc1C=C1SC(NC2CCCCC2)=NC1=O ZINC000008322946 563626148 /nfs/dbraw/zinc/62/61/48/563626148.db2.gz TZZWBQDVSPPHMF-VBKFSLOCSA-N 0 0 330.453 3.978 50 10 EHCARN COc1ccccc1N[C@H]1SC(=O)N(c2ccccc2C)C1=O ZINC000008415927 563629768 /nfs/dbraw/zinc/62/97/68/563629768.db2.gz YMGNAFOFAFLSJE-HNNXBMFYSA-N 0 0 328.393 3.642 50 10 EHCARN COc1ccc(N2CCN(C(=S)Nc3cccc(C)c3)CC2)cc1 ZINC000013477489 563699602 /nfs/dbraw/zinc/69/96/02/563699602.db2.gz ZQOVENVZHJTQCE-UHFFFAOYSA-N 0 0 341.480 3.523 50 10 aggregator EHCARN O=C1/C(=C\c2nc3ccccc3[nH]2)SC(=S)N1c1ccccc1 ZINC000027533713 563896285 /nfs/dbraw/zinc/89/62/85/563896285.db2.gz WNXZZCVHRASUHI-GXDHUFHOSA-N 0 0 337.429 3.969 50 10 EHCARN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1ccccn1 ZINC000071913616 563932232 /nfs/dbraw/zinc/93/22/32/563932232.db2.gz MAAQIIUIRFWUCZ-MRXNPFEDSA-N 0 0 340.471 3.829 50 10 EHCARN COc1cccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)c1O ZINC000016948894 563977600 /nfs/dbraw/zinc/97/76/00/563977600.db2.gz MFRPEIYAKGDGBX-GDNBJRDFSA-N 0 0 342.782 3.860 50 10 EHCARN COc1ccc2ccccc2c1C=C1C(=O)OC2(CCCC2)OC1=O ZINC000000110986 563986663 /nfs/dbraw/zinc/98/66/63/563986663.db2.gz BIEPXDRXVRZLLN-UHFFFAOYSA-N 0 0 338.359 3.602 50 10 EHCARN CN(C)c1ccc(CNC(=O)c2csc(-c3cccs3)n2)cc1 ZINC000012591895 564060249 /nfs/dbraw/zinc/06/02/49/564060249.db2.gz UNIAKFVZZSDSCZ-UHFFFAOYSA-N 0 0 343.477 3.868 50 10 EHCARN Oc1ccc(Cl)cc1[C@@H]1C[C@@H](c2ccccc2)n2ncnc2N1 ZINC000000389014 564082669 /nfs/dbraw/zinc/08/26/69/564082669.db2.gz NXPCCCKULPDFFU-GJZGRUSLSA-N 0 0 326.787 3.783 50 10 EHCARN COc1ccc(C(=O)c2c(C)oc3ccc([O-])c(C[NH+](C)C)c32)cc1 ZINC000006720174 564096366 /nfs/dbraw/zinc/09/63/66/564096366.db2.gz BWVLWZVKKBVGPM-UHFFFAOYSA-N 0 0 339.391 3.748 50 10 EHCARN CCCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1OC ZINC000017070937 564116367 /nfs/dbraw/zinc/11/63/67/564116367.db2.gz LNFNDAQTMFWTJY-UVTDQMKNSA-N 0 0 337.466 3.705 50 10 EHCARN Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 ZINC000000022442 564130158 /nfs/dbraw/zinc/13/01/58/564130158.db2.gz IODOBBFRLZLCJR-UHFFFAOYSA-N 0 0 329.396 3.995 50 10 EHCARN Cc1ccc(C(=O)COC(=O)c2sc3nc(C)ccc3c2N)cc1 ZINC000013575239 568421593 /nfs/dbraw/zinc/42/15/93/568421593.db2.gz XHYIVIHBURPBAI-UHFFFAOYSA-N 0 0 340.404 3.535 50 10 EHCARN Cc1nnc(NC(=O)/C=C/c2cc(C)n(-c3ccccc3)c2C)s1 ZINC000032722062 1037625577 /nfs/dbraw/zinc/62/55/77/1037625577.db2.gz MXBSOVJOXBZIQU-MDZDMXLPSA-N 0 0 338.436 3.906 50 10 EHCARN CC1=CC(=NNc2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)C=C1 ZINC000100012656 219088213 /nfs/dbraw/zinc/08/82/13/219088213.db2.gz QPHMQXKZHXWDTK-VHEBQXMUSA-N 0 0 345.424 3.901 50 10 EHCARN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCc1ccco1 ZINC000100111170 219091358 /nfs/dbraw/zinc/09/13/58/219091358.db2.gz HTYRBWMXTDBVAK-FOWTUZBSSA-N 0 0 327.359 3.595 50 10 EHCARN COc1ccc(C=C2SC(NC3CCCCC3)=NC2=O)cc1OC ZINC000003377552 210022357 /nfs/dbraw/zinc/02/23/57/210022357.db2.gz OLTYEBPTLXRWOB-LFIBNONCSA-N 0 0 346.452 3.596 50 10 EHCARN Cc1cnc(N2C(=O)[C@H](C)S[C@@H]2c2ccc(N(C)C)cc2)s1 ZINC000019927681 212084650 /nfs/dbraw/zinc/08/46/50/212084650.db2.gz VQRFFTGSCRYXFF-XHDPSFHLSA-N 0 0 333.482 3.685 50 10 EHCARN Oc1c([C@@H](c2ccc(F)cc2)N2CCOCC2)ccc2cccnc21 ZINC000019902438 212081740 /nfs/dbraw/zinc/08/17/40/212081740.db2.gz WUUASRHRNXRJTE-LJQANCHMSA-N 0 0 338.382 3.501 50 10 EHCARN O=C(c1ccccc1)N1C(=O)/C(=C\c2ccccc2F)SC1=S ZINC000016476633 211907255 /nfs/dbraw/zinc/90/72/55/211907255.db2.gz WKBCMKUVMWLDTE-GXDHUFHOSA-N 0 0 343.404 3.867 50 10 EHCARN Cc1cc(C2=NNC(=NC3CC3)SC2)c(C)n1-c1cccc(F)c1 ZINC000015404949 211821412 /nfs/dbraw/zinc/82/14/12/211821412.db2.gz QAPNRPUNSGIKRF-UHFFFAOYSA-N 0 0 342.443 3.792 50 10 EHCARN COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1C ZINC000015011049 211788002 /nfs/dbraw/zinc/78/80/02/211788002.db2.gz NENUUEDJHBBUQS-DHDCSXOGSA-N 0 0 345.445 3.998 50 10 EHCARN COc1ccccc1NC=C1SC(=S)N(Cc2ccco2)C1=O ZINC000009421919 211082440 /nfs/dbraw/zinc/08/24/40/211082440.db2.gz PLBDRVKSOLGNSD-NTEUORMPSA-N 0 0 346.433 3.602 50 10 EHCARN O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1C[C@H]1CCCO1 ZINC000004791798 210278855 /nfs/dbraw/zinc/27/88/55/210278855.db2.gz IEVDSMZLFHKILP-CMGZJDDPSA-N 0 0 331.462 3.623 50 10 EHCARN O=C1NC(=Cc2ccc(N3CCCCC3)cc2)C(=O)N1c1ccccc1 ZINC000004498742 135664309 /nfs/dbraw/zinc/66/43/09/135664309.db2.gz QCMHOEJBTLXZEC-XDJHFCHBSA-N 0 0 347.418 3.774 50 10 EHCARN COc1cc(C=O)cc(C[NH+]2CCC(Cc3ccccc3)CC2)c1[O-] ZINC000226762992 536722674 /nfs/dbraw/zinc/72/26/74/536722674.db2.gz RKXZHPSAGPOXNY-UHFFFAOYSA-N 0 0 339.435 3.668 50 10 EHCARN CCC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(N(C)C)cc1 ZINC000000613626 563356387 /nfs/dbraw/zinc/35/63/87/563356387.db2.gz NOBALSNSCSXDIN-LJQANCHMSA-N 0 0 339.414 3.979 50 10 EHCARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000001195128 563378937 /nfs/dbraw/zinc/37/89/37/563378937.db2.gz GLMSHULJQBPZCX-OQLLNIDSSA-N 0 0 328.462 3.891 50 10 EHCARN N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000004183511 563496888 /nfs/dbraw/zinc/49/68/88/563496888.db2.gz FBCRTSMEGYAJJH-CKLXWILVSA-N 0 0 347.399 3.696 50 10 EHCARN COc1ccc(OC)c2c1C(=O)c1c(Cl)ccc(Cl)c1C2=O ZINC000005249063 563524410 /nfs/dbraw/zinc/52/44/10/563524410.db2.gz IYWHTWDKEMGICP-UHFFFAOYSA-N 0 0 337.158 3.786 50 10 EHCARN COc1ccc2[nH]cc(/C=C/c3nc4ccccc4c(=O)n3C)c2c1 ZINC000005478566 563534251 /nfs/dbraw/zinc/53/42/51/563534251.db2.gz ZVDNGRZRTGVRHF-JXMROGBWSA-N 0 0 331.375 3.594 50 10 EHCARN O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000013584043 563702941 /nfs/dbraw/zinc/70/29/41/563702941.db2.gz PANDWSGQYRFOLI-OEMOTLHWSA-N 0 0 339.869 3.720 50 10 EHCARN Cc1cccc(NC2=NC(=O)C(=C3c4ccccc4NC3=O)S2)c1C ZINC000013765624 563721788 /nfs/dbraw/zinc/72/17/88/563721788.db2.gz MNHUQNMQMMLMNL-FOCLMDBBSA-N 0 0 349.415 3.708 50 10 EHCARN CCN1C(=O)/C(=C/C=C\N2CCCc3ccccc32)SC1=S ZINC000016115494 563803944 /nfs/dbraw/zinc/80/39/44/563803944.db2.gz CAJIOGHJTNPRHT-XLFDVFNTSA-N 0 0 330.478 3.717 50 10 EHCARN COc1cccc(/C=C2/C=C(c3cc(OC)ccc3OC)OC2=O)c1 ZINC000013616749 563930675 /nfs/dbraw/zinc/93/06/75/563930675.db2.gz HHFVOECLWIXDHO-ZROIWOOFSA-N 0 0 338.359 3.694 50 10 EHCARN O=C1/C(=C\c2ccc(O)c(Cl)c2)SC(=S)N1c1cccnc1 ZINC000084425128 564001206 /nfs/dbraw/zinc/00/12/06/564001206.db2.gz ZCXLYFKTRSVIHW-NTUHNPAUSA-N 0 0 348.836 3.846 50 10 EHCARN CC(=O)Nc1ccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1 ZINC000000472790 564006227 /nfs/dbraw/zinc/00/62/27/564006227.db2.gz ADWJFQWQDORMDR-UHFFFAOYSA-N 0 0 341.392 3.923 50 10 EHCARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1CCCCC1 ZINC000000501059 564019039 /nfs/dbraw/zinc/01/90/39/564019039.db2.gz PTNIRRNZXYFBBR-FMQUCBEESA-N 0 0 330.388 3.838 50 10 EHCARN CCCc1nc2sc(C(=O)OCC)c(N)c2c2c1COC(C)(C)C2 ZINC000000507163 564019631 /nfs/dbraw/zinc/01/96/31/564019631.db2.gz KDDFXMFYJJDRGC-UHFFFAOYSA-N 0 0 348.468 3.859 50 10 EHCARN Cc1cc(C(=O)COC(=O)C2CC2)c(C)n1-c1ccc(C)c(F)c1 ZINC000005711236 564020716 /nfs/dbraw/zinc/02/07/16/564020716.db2.gz DFEYXROJZCLSGE-UHFFFAOYSA-N 0 0 329.371 3.678 50 10 EHCARN COc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2)c(OC)c1 ZINC000000523906 564021169 /nfs/dbraw/zinc/02/11/69/564021169.db2.gz ZQCWGLGRQFUTCM-CQSZACIVSA-N 0 0 332.787 3.502 50 10 EHCARN Cc1cc(N2CCCC2)ccc1NC(=O)CSc1nccs1 ZINC000047271894 564026064 /nfs/dbraw/zinc/02/60/64/564026064.db2.gz BWDAVVIMLAHFHN-UHFFFAOYSA-N 0 0 333.482 3.783 50 10 EHCARN CN(Cc1ccccc1O)C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000047380604 564026191 /nfs/dbraw/zinc/02/61/91/564026191.db2.gz IQEOUAWSBRRZMQ-UHFFFAOYSA-N 0 0 346.456 3.955 50 10 EHCARN O=C([C@H]1COc2ccccc21)N(Cc1ccco1)Cc1ccccc1O ZINC000084504634 564068347 /nfs/dbraw/zinc/06/83/47/564068347.db2.gz GJWDKGYCPNBNIJ-SFHVURJKSA-N 0 0 349.386 3.690 50 10 EHCARN O=C(NCc1ccccc1O)c1ccccc1C(=O)c1ccccc1 ZINC000084519323 564068394 /nfs/dbraw/zinc/06/83/94/564068394.db2.gz QRIAOSKSEIPFDL-UHFFFAOYSA-N 0 0 331.371 3.553 50 10 EHCARN Cc1ccc(Nc2ccc(C=C3C(=O)OC(C)(C)OC3=O)o2)c(C)c1 ZINC000075260878 564081246 /nfs/dbraw/zinc/08/12/46/564081246.db2.gz MQJJFHTWZLEQLB-UHFFFAOYSA-N 0 0 341.363 3.860 50 10 EHCARN CCCCOC(=O)c1sc2nc3c(cc2c1N)C(=O)CC(C)(C)C3 ZINC000001794610 564087691 /nfs/dbraw/zinc/08/76/91/564087691.db2.gz TWNJONYRPHVXPO-UHFFFAOYSA-N 0 0 346.452 3.991 50 10 EHCARN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccs2)cc1 ZINC000006747938 564096997 /nfs/dbraw/zinc/09/69/97/564096997.db2.gz ZACDBNPNDJNBGF-KRWDZBQOSA-N 0 0 344.480 3.636 50 10 EHCARN O=C1c2ccccc2N[C@H](c2ccc(O)c(O)c2)N1Cc1ccccc1 ZINC000007884126 564124356 /nfs/dbraw/zinc/12/43/56/564124356.db2.gz CQHJPMKTUVHNFL-FQEVSTJZSA-N 0 0 346.386 3.865 50 10 EHCARN Cc1cc(NC(=O)[C@H](Sc2nccs2)c2ccccc2)no1 ZINC000052914184 214155054 /nfs/dbraw/zinc/15/50/54/214155054.db2.gz LDQZGBWXNULNCM-CYBMUJFWSA-N 0 0 331.422 3.912 50 10 EHCARN C[C@@H]1Oc2ccccc2C=C1C=C1SC(Nc2ccccn2)=NC1=O ZINC000054361097 214233198 /nfs/dbraw/zinc/23/31/98/214233198.db2.gz JRGLBLRFMOHYNE-IEMQHYRPSA-N 0 0 349.415 3.871 50 10 EHCARN CCCCN1c2ccccc2[C@]2(NN=C(c3ccccc3)S2)C1=O ZINC000004689931 210249407 /nfs/dbraw/zinc/24/94/07/210249407.db2.gz UZWNINAIFFTNSD-LJQANCHMSA-N 0 0 337.448 3.684 50 10 EHCARN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(F)cc1 ZINC000003899117 210087744 /nfs/dbraw/zinc/08/77/44/210087744.db2.gz WJDJFLYXANINQF-UHFFFAOYSA-N 0 0 345.329 3.853 50 10 EHCARN CCCCCOc1ccc(C=C2SC(=S)NC2=O)cc1OC ZINC000003660829 210072617 /nfs/dbraw/zinc/07/26/17/210072617.db2.gz PQUSMAMJEFIJOM-UVTDQMKNSA-N 0 0 337.466 3.753 50 10 biogenic EHCARN CCC(CC)NC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000003378761 210022214 /nfs/dbraw/zinc/02/22/14/210022214.db2.gz YZGIGGHITAGWFD-UHFFFAOYSA-N 0 0 342.439 3.556 50 10 EHCARN COc1ccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1 ZINC000002116842 209820646 /nfs/dbraw/zinc/82/06/46/209820646.db2.gz AOWKGDHKRCFDLE-UHFFFAOYSA-N 0 0 337.375 3.775 50 10 biogenic EHCARN Cc1cnc(N2C(=O)[C@H](C)S[C@H]2c2ccc(N(C)C)cc2)s1 ZINC000019927674 212084790 /nfs/dbraw/zinc/08/47/90/212084790.db2.gz VQRFFTGSCRYXFF-NHYWBVRUSA-N 0 0 333.482 3.685 50 10 EHCARN CCCN(Cc1ccccc1O)C(=O)c1cc(C)nc2onc(C)c21 ZINC000079336389 217211047 /nfs/dbraw/zinc/21/10/47/217211047.db2.gz DHZMVQJOEUWCKJ-UHFFFAOYSA-N 0 0 339.395 3.598 50 10 EHCARN CCCC(=O)N1N=C(c2cccc(OC)c2O)C[C@@H]1c1ccccc1 ZINC000097105844 218956752 /nfs/dbraw/zinc/95/67/52/218956752.db2.gz XHMQHSOQUHSCTO-QGZVFWFLSA-N 0 0 338.407 3.879 50 10 EHCARN Cc1cc(C)cc(NC=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c1 ZINC000005021801 210365710 /nfs/dbraw/zinc/36/57/10/210365710.db2.gz BGOIUOZHNFOKTQ-UWZYDCLUSA-N 0 0 348.493 3.596 50 10 EHCARN COCCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000004816004 210286259 /nfs/dbraw/zinc/28/62/59/210286259.db2.gz ZZNPLYDJFNQTFL-XFXZXTDPSA-N 0 0 327.858 3.578 50 10 EHCARN COc1cccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c1O ZINC000000031269 563211717 /nfs/dbraw/zinc/21/17/17/563211717.db2.gz BCDMYTWXELVGAH-GDNBJRDFSA-N 0 0 325.389 3.770 50 10 EHCARN c1cc2n(c1)[C@H](c1ccc(N3CCOCC3)cc1)Nc1ccccc1-2 ZINC000000158251 563248488 /nfs/dbraw/zinc/24/84/88/563248488.db2.gz ZWRLBXBINWBMRM-OAQYLSRUSA-N 0 0 331.419 3.964 50 10 EHCARN COc1cccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)c1 ZINC000000978020 563366984 /nfs/dbraw/zinc/36/69/84/563366984.db2.gz LCSDFJDUGBQUAC-DHDCSXOGSA-N 0 0 343.429 3.807 50 10 EHCARN O=C1/C(=C/c2cccc(O)c2)SC(=S)N1Nc1ccccc1 ZINC000001210453 563379555 /nfs/dbraw/zinc/37/95/55/563379555.db2.gz SAHHOUGTKHBYQF-UVTDQMKNSA-N 0 0 328.418 3.621 50 10 EHCARN Cc1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)o1 ZINC000030725502 563910340 /nfs/dbraw/zinc/91/03/40/563910340.db2.gz ZIRCSEDIYKOHBQ-RBCZPYDQSA-N 0 0 335.388 3.892 50 10 EHCARN O=C(c1ccco1)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1 ZINC000097105831 563967663 /nfs/dbraw/zinc/96/76/63/563967663.db2.gz BTPLUYYJYUZFFO-KRWDZBQOSA-N 0 0 332.359 3.977 50 10 EHCARN COc1ccc(C2=C/C(=C/c3ccccc3OC)C(=O)O2)c(OC)c1 ZINC000000200023 563988316 /nfs/dbraw/zinc/98/83/16/563988316.db2.gz JCLJZISPZAXEFU-UVTDQMKNSA-N 0 0 338.359 3.694 50 10 EHCARN CC(=O)c1ccc(NC=C2C(C)=NN(c3ccccc3C)C2=O)cc1 ZINC000005730813 564024590 /nfs/dbraw/zinc/02/45/90/564024590.db2.gz QNLJJGXRBFUSFA-LDADJPATSA-N 0 0 333.391 3.916 50 10 EHCARN CC[C@@H](NC(=O)c1ccc(C)c(-n2c(C)ccc2C)c1)C1CC(O)C1 ZINC000219935635 564035618 /nfs/dbraw/zinc/03/56/18/564035618.db2.gz VLXBTEMRODCGJH-CTWPCTMYSA-N 0 0 340.467 3.682 50 10 EHCARN Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1-c1ccccc1 ZINC000003509849 564059896 /nfs/dbraw/zinc/05/98/96/564059896.db2.gz GMJPRCQYWLFEKJ-UHFFFAOYSA-N 0 0 344.465 3.503 50 10 EHCARN O=C(NCc1ccc(N2CCSCC2)cc1)NC1CCCCCC1 ZINC000084403126 564068033 /nfs/dbraw/zinc/06/80/33/564068033.db2.gz SKGWKPLXNBDKOI-UHFFFAOYSA-N 0 0 347.528 3.762 50 10 EHCARN CCOc1ccc(N[C@@H]2SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000006712531 564096314 /nfs/dbraw/zinc/09/63/14/564096314.db2.gz OCJUOZBMBQOIPJ-OAHLLOKOSA-N 0 0 344.461 3.888 50 10 EHCARN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccs2)cc1 ZINC000006747939 564097000 /nfs/dbraw/zinc/09/70/00/564097000.db2.gz ZACDBNPNDJNBGF-QGZVFWFLSA-N 0 0 344.480 3.636 50 10 EHCARN CN(C)c1ccc(CN(C)C(=O)c2cc3ccccc3cc2O)cc1 ZINC000039981674 564167783 /nfs/dbraw/zinc/16/77/83/564167783.db2.gz HENJIKKNTRXTFW-UHFFFAOYSA-N 0 0 334.419 3.884 50 10 EHCARN CN(C)c1ccc([C@@H]2CC(c3ccc(F)cc3)=Nc3ncnn32)cc1 ZINC000100635250 219103419 /nfs/dbraw/zinc/10/34/19/219103419.db2.gz GXJGLQPTQPZELK-SFHVURJKSA-N 0 0 335.386 3.539 50 10 EHCARN O=C1c2cccc(N3CCCC3)c2C(=O)c2cccc(N3CCCC3)c21 ZINC000004140698 210131205 /nfs/dbraw/zinc/13/12/05/210131205.db2.gz HTIMVQGLGPIWHE-UHFFFAOYSA-N 0 0 346.430 3.662 50 10 EHCARN Cc1nc(N)sc1-c1csc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000004123319 210126011 /nfs/dbraw/zinc/12/60/11/210126011.db2.gz WNBYEEZWEBAPPT-UHFFFAOYSA-N 0 0 333.398 3.809 50 10 EHCARN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000003997778 210097736 /nfs/dbraw/zinc/09/77/36/210097736.db2.gz SIGATAYQAZTAOH-UHFFFAOYSA-N 0 0 327.339 3.714 50 10 EHCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C\c4ccccc4)C3=N)S2)cc1 ZINC000003858698 210080968 /nfs/dbraw/zinc/08/09/68/210080968.db2.gz LRMXEHVNKQWLJL-GQECEEOXSA-N 0 0 346.415 3.662 50 10 EHCARN Cc1cc(C(=O)CSc2nncn2C)c(C)n1-c1ccc(C)cc1 ZINC000003396516 210026527 /nfs/dbraw/zinc/02/65/27/210026527.db2.gz FKASOQHIRZBUEJ-UHFFFAOYSA-N 0 0 340.452 3.506 50 10 EHCARN O=C1C(=CNc2cccc(O)c2)SC(=S)N1C1CCCCC1 ZINC000002026417 209813164 /nfs/dbraw/zinc/81/31/64/209813164.db2.gz GBVAXGJGMWJVRQ-GXDHUFHOSA-N 0 0 334.466 3.839 50 10 EHCARN COC(=O)c1ccc(NCc2cc(Br)ccc2O)cc1 ZINC000040477102 213313086 /nfs/dbraw/zinc/31/30/86/213313086.db2.gz TZZARNCRFCIPIR-UHFFFAOYSA-N 0 0 336.185 3.553 50 10 EHCARN C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccccc1O ZINC000040063354 213256718 /nfs/dbraw/zinc/25/67/18/213256718.db2.gz CVIKDNMKPKLAGF-AWEZNQCLSA-N 0 0 336.391 3.857 50 10 EHCARN O=C1NC(=S)S/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000000978905 209697111 /nfs/dbraw/zinc/69/71/11/209697111.db2.gz IKXPGAWCZJDQMZ-OQLLNIDSSA-N 0 0 345.420 3.894 50 10 EHCARN Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000037087356 213133211 /nfs/dbraw/zinc/13/32/11/213133211.db2.gz XQQBKAYQGIQXRX-CYBMUJFWSA-N 0 0 326.227 3.600 50 10 EHCARN COc1ccc(N(Cc2nnc(-c3ccco3)o2)C(C)C)cc1F ZINC000072598524 216279823 /nfs/dbraw/zinc/27/98/23/216279823.db2.gz GJSXFSRXIMTGEG-UHFFFAOYSA-N 0 0 331.347 3.892 50 10 EHCARN Cc1cccc(-c2ocnc2C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000015782280 211852217 /nfs/dbraw/zinc/85/22/17/211852217.db2.gz IZKCKVIXEOCMMU-UHFFFAOYSA-N 0 0 335.407 3.646 50 10 EHCARN COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)C(C)C)c1O ZINC000009260516 211059936 /nfs/dbraw/zinc/05/99/36/211059936.db2.gz KCXBJWMJLQOTJW-AWEZNQCLSA-N 0 0 344.436 3.796 50 10 EHCARN Cc1ccc(C)n1-c1ccc(C(=O)Nn2cnc3ccccc32)cc1 ZINC000027037867 258057907 /nfs/dbraw/zinc/05/79/07/258057907.db2.gz FHRSWMIPEHOZOZ-UHFFFAOYSA-N 0 0 330.391 3.828 50 10 EHCARN Cc1c(C(=O)N2CCOCC2)cc(C(C)(C)C)n1-c1ccccc1 ZINC000000113758 563230694 /nfs/dbraw/zinc/23/06/94/563230694.db2.gz AKKBKYRPIMIZFJ-UHFFFAOYSA-N 0 0 326.440 3.556 50 10 EHCARN CN1C(=O)/C(=C/C=C/c2ccc(Br)cc2)SC1=S ZINC000000975342 563366740 /nfs/dbraw/zinc/36/67/40/563366740.db2.gz JBJVRZXZDBYWNX-ICKRUQPGSA-N 0 0 340.267 3.836 50 10 EHCARN Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000013671441 563709396 /nfs/dbraw/zinc/70/93/96/563709396.db2.gz QSBOVSDJDWHZHI-KRWDZBQOSA-N 0 0 338.451 3.679 50 10 EHCARN CN(C1=NC(=O)/C(=C/c2ccc(F)cc2)S1)c1ccc(O)cc1 ZINC000000107175 563986482 /nfs/dbraw/zinc/98/64/82/563986482.db2.gz IKWJEOZZUWKNSR-GDNBJRDFSA-N 0 0 328.368 3.638 50 10 EHCARN CN(C)c1ccc(C=C2SC(NCc3ccccc3)=NC2=O)cc1 ZINC000000133227 563987002 /nfs/dbraw/zinc/98/70/02/563987002.db2.gz MZALXMDFGMVKND-SFQUDFHCSA-N 0 0 337.448 3.513 50 10 EHCARN CCOc1ccc(NC2=NC(=O)C(=Cc3ccccc3O)S2)cc1 ZINC000018193725 564018644 /nfs/dbraw/zinc/01/86/44/564018644.db2.gz RARVXXCMKOMXIH-WJDWOHSUSA-N 0 0 340.404 3.873 50 10 EHCARN COC(=O)C1=C(C)/C(=C\c2ccc(F)cc2)C(=O)N1C1CCCCC1 ZINC000211066113 564054527 /nfs/dbraw/zinc/05/45/27/564054527.db2.gz ZNLJPRZDAABWBJ-SFQUDFHCSA-N 0 0 343.398 3.831 50 10 EHCARN Cc1cc(C(=O)OCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1 ZINC000003264488 564058804 /nfs/dbraw/zinc/05/88/04/564058804.db2.gz DMLQXQBURZQWRR-UHFFFAOYSA-N 0 0 348.402 3.890 50 10 EHCARN COCCN(Cc1ccc(C)s1)C(=O)N[C@@H](C)c1ccccc1O ZINC000534639969 564061412 /nfs/dbraw/zinc/06/14/12/564061412.db2.gz NVRKIIJNJOSDQA-AWEZNQCLSA-N 0 0 348.468 3.681 50 10 EHCARN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1cccc(O)c1 ZINC000001243632 564062679 /nfs/dbraw/zinc/06/26/79/564062679.db2.gz KZZHXFHDYFPXPA-ZSOIEALJSA-N 0 0 331.393 3.937 50 10 EHCARN COc1cccc(C=C2SC(Nc3ccc(C)cc3)=NC2=O)c1O ZINC000012610264 564135327 /nfs/dbraw/zinc/13/53/27/564135327.db2.gz OLDKETMMAFOXPV-GDNBJRDFSA-N 0 0 340.404 3.792 50 10 EHCARN CCC(=O)N1N=C(c2ccc(O)c(OC)c2)C[C@H]1c1cccc(C)c1 ZINC000095946343 564142210 /nfs/dbraw/zinc/14/22/10/564142210.db2.gz KIPMLEPHJZUKSB-KRWDZBQOSA-N 0 0 338.407 3.797 50 10 EHCARN CCC(=O)N1N=C(c2ccc(O)c(OC)c2)C[C@@H]1c1cccc(C)c1 ZINC000095946344 564142238 /nfs/dbraw/zinc/14/22/38/564142238.db2.gz KIPMLEPHJZUKSB-QGZVFWFLSA-N 0 0 338.407 3.797 50 10 EHCARN Cc1cccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1C ZINC000071797623 564175388 /nfs/dbraw/zinc/17/53/88/564175388.db2.gz BOOWOCRSAFFPMY-SFHVURJKSA-N 0 0 339.435 3.830 50 10 EHCARN CC[NH+](CC)Cc1c2c(ccc1[O-])oc(C)c2C(=O)NC1CCCC1 ZINC000005182442 1033406536 /nfs/dbraw/zinc/40/65/36/1033406536.db2.gz OJWKFKRGBUIKFM-UHFFFAOYSA-N 0 0 344.455 3.961 50 10 EHCARN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000098009360 219067993 /nfs/dbraw/zinc/06/79/93/219067993.db2.gz CUCNNHDXOSVPAL-DNVCBOLYSA-N 0 0 342.395 3.558 50 10 EHCARN C[C@@H]1CCCN(c2ccc(CNC(=O)Cc3cccs3)cc2)C1 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COCCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000002677637 563445577 /nfs/dbraw/zinc/44/55/77/563445577.db2.gz DUAYVIJCTVFZGC-WDZFZDKYSA-N 0 0 348.276 3.841 50 10 EHCARN COc1ccc(N(Cc2nnc(C3CC3)n2C)[C@@H](C)C2CC2)cc1 ZINC000071897152 563492936 /nfs/dbraw/zinc/49/29/36/563492936.db2.gz AFEUJQQTAIGZDD-ZDUSSCGKSA-N 0 0 326.444 3.506 50 10 EHCARN COc1ccc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)cc1 ZINC000013659141 563707422 /nfs/dbraw/zinc/70/74/22/563707422.db2.gz SSRNFZVWAZNIOY-GDNBJRDFSA-N 0 0 343.429 3.807 50 10 EHCARN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccccc1F ZINC000013801413 563723999 /nfs/dbraw/zinc/72/39/99/563723999.db2.gz YBTYDKATKCXHCU-GDNBJRDFSA-N 0 0 331.387 3.544 50 10 EHCARN CCc1ccc(-n2c(C)cc(C=C3SC(=O)NC3=O)c2C)cc1 ZINC000013810554 563724147 /nfs/dbraw/zinc/72/41/47/563724147.db2.gz OVQJQHKWRIDXAG-YBEGLDIGSA-N 0 0 326.421 3.980 50 10 EHCARN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OC ZINC000013880015 563728419 /nfs/dbraw/zinc/72/84/19/563728419.db2.gz SKJSXHHACBCPMW-ATVHPVEESA-N 0 0 336.391 3.900 50 10 EHCARN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(Cl)cc1Cl ZINC000000242002 563989203 /nfs/dbraw/zinc/98/92/03/563989203.db2.gz YZUZXYYHHNSMKU-UHFFFAOYSA-N 0 0 327.163 3.747 50 10 EHCARN COc1ccc(N2CCN(c3cc(C)c4ccc(=O)cc-4[nH]3)CC2)cc1 ZINC000004961205 563993425 /nfs/dbraw/zinc/99/34/25/563993425.db2.gz KKKQJQHYCBKAGK-UHFFFAOYSA-N 0 0 349.434 3.584 50 10 EHCARN COc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2)c(OC)c1 ZINC000000523907 564021182 /nfs/dbraw/zinc/02/11/82/564021182.db2.gz ZQCWGLGRQFUTCM-AWEZNQCLSA-N 0 0 332.787 3.502 50 10 EHCARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccco1 ZINC000012528863 564058165 /nfs/dbraw/zinc/05/81/65/564058165.db2.gz OPOBGRPLCPTBIS-ATVHPVEESA-N 0 0 337.375 3.855 50 10 EHCARN COCCn1c(-c2ccc(Br)cc2)cnc1SC ZINC000044085277 564059479 /nfs/dbraw/zinc/05/94/79/564059479.db2.gz FPADMLAVYUGJRR-UHFFFAOYSA-N 0 0 327.247 3.681 50 10 EHCARN O=C([C@@H]1COc2ccccc21)N(Cc1ccco1)Cc1ccccc1O ZINC000084504632 564068317 /nfs/dbraw/zinc/06/83/17/564068317.db2.gz GJWDKGYCPNBNIJ-GOSISDBHSA-N 0 0 349.386 3.690 50 10 EHCARN C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc2c3c(c(=O)oc2cc1[O-])CCC3 ZINC000006078286 564073519 /nfs/dbraw/zinc/07/35/19/564073519.db2.gz RKUHDQVHEZHFQE-CHWSQXEVSA-N 0 0 327.424 3.750 50 10 EHCARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(N)cc2)cc1 ZINC000084704236 564091405 /nfs/dbraw/zinc/09/14/05/564091405.db2.gz NLAXTZPUTNGRDU-UHFFFAOYSA-N 0 0 327.453 3.693 50 10 in-vitro EHCARN CCCOc1ccccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000170609667 564109678 /nfs/dbraw/zinc/10/96/78/564109678.db2.gz LBONWRKHXURSMU-CYBMUJFWSA-N 0 0 344.411 3.639 50 10 EHCARN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCOc2cc(N(C)C)ccc21 ZINC000089905355 564115100 /nfs/dbraw/zinc/11/51/00/564115100.db2.gz HBKNIKQOHCQNER-CYBMUJFWSA-N 0 0 327.384 3.621 50 10 EHCARN O=C1Nc2ccccc2[C@]12NN=C(c1cccc3ccccc31)S2 ZINC000670433376 564156174 /nfs/dbraw/zinc/15/61/74/564156174.db2.gz SEFITSHHMJOSGO-LJQANCHMSA-N 0 0 331.400 3.643 50 10 EHCARN Cc1[nH]c2ccccc2c1CCNC(=O)N(C)Cc1ccccc1O ZINC000069847910 564172499 /nfs/dbraw/zinc/17/24/99/564172499.db2.gz BICVQFWDZHOKOX-UHFFFAOYSA-N 0 0 337.423 3.566 50 10 EHCARN Cc1ncsc1/C=C1/CCn2c1nc1ccc(Cl)cc1c2=O ZINC000095962031 1031156553 /nfs/dbraw/zinc/15/65/53/1031156553.db2.gz NUZWAXOPRFTLSU-POHAHGRESA-N 0 0 329.812 3.759 50 10 EHCARN CCO/C=C1/SC(=S)N(CCc2ccc(Cl)cc2)C1=O ZINC000004371466 210181314 /nfs/dbraw/zinc/18/13/14/210181314.db2.gz XJQMOAROLAIDAA-FMIVXFBMSA-N 0 0 327.858 3.621 50 10 EHCARN O=C(c1cccs1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O ZINC000004292073 210162638 /nfs/dbraw/zinc/16/26/38/210162638.db2.gz FZEFXBSMKLLKED-INIZCTEOSA-N 0 0 349.415 3.840 50 10 EHCARN COc1ccc2c3ccc(O[C@@H]4CCCCC4=O)cc3oc(=O)c2c1 ZINC000000523058 209646830 /nfs/dbraw/zinc/64/68/30/209646830.db2.gz JTXXZSZCCYEPDL-GOSISDBHSA-N 0 0 338.359 3.845 50 10 EHCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc2c(cc1Cl)OCO2 ZINC000022781937 212323215 /nfs/dbraw/zinc/32/32/15/212323215.db2.gz PGCYGVVUSLGERP-AUWJEWJLSA-N 0 0 340.766 3.875 50 10 EHCARN Cc1cc([C@H]2CCCN2Cc2cc(Br)ccc2O)no1 ZINC000021720187 212243807 /nfs/dbraw/zinc/24/38/07/212243807.db2.gz YBPOWRRGIPXFIK-CQSZACIVSA-N 0 0 337.217 3.788 50 10 EHCARN C[NH+](C)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)coc21 ZINC000019787175 212066802 /nfs/dbraw/zinc/06/68/02/212066802.db2.gz LLOZTZGFSFSCOS-UHFFFAOYSA-N 0 0 329.783 3.881 50 10 biogenic EHCARN CC[C@@H](C)NC(=O)NCc1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000009228682 211054344 /nfs/dbraw/zinc/05/43/44/211054344.db2.gz SMHGYLGWBCAYDE-CYBMUJFWSA-N 0 0 329.444 3.700 50 10 EHCARN CC(=O)Nc1ccc(NC=C2C(C)=NN(c3ccc(C)cc3)C2=O)cc1 ZINC000005730569 210525125 /nfs/dbraw/zinc/52/51/25/210525125.db2.gz SKQPOQLSLLROJI-XDHOZWIPSA-N 0 0 348.406 3.672 50 10 EHCARN Cc1ccc(C)n1N1C(=O)/C(=C/c2ccccc2F)SC1=S ZINC000005241101 210421076 /nfs/dbraw/zinc/42/10/76/210421076.db2.gz BASARZWYCOKAIH-ZROIWOOFSA-N 0 0 332.425 3.781 50 10 EHCARN CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S ZINC000004892204 210314004 /nfs/dbraw/zinc/31/40/04/210314004.db2.gz NTTAZTWZXZNSCB-MDWZMJQESA-N 0 0 346.389 3.686 50 10 EHCARN Cc1cc(C(=O)OCC(=O)c2ccc[nH]2)c(C)n1-c1ccc(F)cc1 ZINC000007786667 258053513 /nfs/dbraw/zinc/05/35/13/258053513.db2.gz SKCSDGHZGCUDTJ-UHFFFAOYSA-N 0 0 340.354 3.601 50 10 EHCARN O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000013584046 258056095 /nfs/dbraw/zinc/05/60/95/258056095.db2.gz PANDWSGQYRFOLI-YFBAIUBQSA-N 0 0 339.869 3.720 50 10 EHCARN COCc1cc(C)nc2sc(C(=O)OCc3ccccc3)c(N)c21 ZINC000012445346 522919640 /nfs/dbraw/zinc/91/96/40/522919640.db2.gz ZJVLBQKQTZZBDY-UHFFFAOYSA-N 0 0 342.420 3.690 50 10 EHCARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O)c3ccccc23)c1 ZINC000000189828 563256011 /nfs/dbraw/zinc/25/60/11/563256011.db2.gz SEBVJYWOFMIHFC-UHFFFAOYSA-N 0 0 327.405 3.963 50 10 EHCARN CCN1C(=O)/C(=C/c2cc(C)n(-c3cccnc3)c2C)SC1=S ZINC000001161052 563376349 /nfs/dbraw/zinc/37/63/49/563376349.db2.gz GOKOLMSOIMVWAI-DHDCSXOGSA-N 0 0 343.477 3.710 50 10 EHCARN O=C1N=C(N2CCCCC2)S/C1=C/c1csc(-c2ccco2)n1 ZINC000058344354 563943181 /nfs/dbraw/zinc/94/31/81/563943181.db2.gz ODLGNCDNEXOCGG-UKTHLTGXSA-N 0 0 345.449 3.859 50 10 EHCARN CN(C)c1ccc(/C=C2/SC(N3CCCCCC3)=NC2=O)cc1 ZINC000000088732 563976419 /nfs/dbraw/zinc/97/64/19/563976419.db2.gz NBBZXWJMRKQULS-DTQAZKPQSA-N 0 0 329.469 3.599 50 10 EHCARN CN(C)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2C)CCCC4)cc1 ZINC000000213263 563988578 /nfs/dbraw/zinc/98/85/78/563988578.db2.gz JUFQXVAXNBVLSZ-KRWDZBQOSA-N 0 0 341.480 3.889 50 10 EHCARN COc1ccc(N2CSC(=S)N(c3ccc(OC)cc3)C2)cc1 ZINC000000096964 563996122 /nfs/dbraw/zinc/99/61/22/563996122.db2.gz ORDJISIBDAABOZ-UHFFFAOYSA-N 0 0 346.477 3.964 50 10 EHCARN O=C1/C(=C/C=C/c2ccco2)SC(=S)N1c1cccc(O)c1 ZINC000005375822 564003237 /nfs/dbraw/zinc/00/32/37/564003237.db2.gz UDWAAPWKAAZYOG-NTOUICHMSA-N 0 0 329.402 3.947 50 10 EHCARN CCOC(=O)C(=Cc1cc(C)n(-c2ccccc2)c1C)C(=O)OCC ZINC000003177138 564004099 /nfs/dbraw/zinc/00/40/99/564004099.db2.gz ZHDSHIRLSBEKJU-UHFFFAOYSA-N 0 0 341.407 3.604 50 10 EHCARN CCOC(=O)c1ccc(NC=C2C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000005650691 564007020 /nfs/dbraw/zinc/00/70/20/564007020.db2.gz VAKQMGPODKZNQB-QGOAFFKASA-N 0 0 349.390 3.582 50 10 EHCARN O=C1/C(=C/c2ccc([N+](=O)[O-])o2)SC(=S)N1Cc1ccccc1 ZINC000001209210 564012993 /nfs/dbraw/zinc/01/29/93/564012993.db2.gz JXRXGCSSYOEQGJ-WQLSENKSSA-N 0 0 346.389 3.589 50 10 EHCARN Cc1ccc(Cn2cccc2/C=C2/C(=N)N3C=CSC3=NC2=O)cc1 ZINC000013122217 564103632 /nfs/dbraw/zinc/10/36/32/564103632.db2.gz GDVKXUIBNVBRIW-VXBULBDJSA-N 0 0 348.431 3.622 50 10 EHCARN CN(Cc1ccccc1O)C(=O)Nc1cc(F)cc(N2CCCC2)c1 ZINC000065607328 564108207 /nfs/dbraw/zinc/10/82/07/564108207.db2.gz UJILOUDSVFVGPC-UHFFFAOYSA-N 0 0 343.402 3.795 50 10 EHCARN C[C@@H]1COCCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000252457184 564118575 /nfs/dbraw/zinc/11/85/75/564118575.db2.gz KRXUNBPMZUCCAX-OAHLLOKOSA-N 0 0 338.411 3.761 50 10 EHCARN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccc2cccnc21 ZINC000042720221 564175205 /nfs/dbraw/zinc/17/52/05/564175205.db2.gz BIMUPBVVIXZRNR-UHFFFAOYSA-N 0 0 347.462 3.892 50 10 EHCARN CCN1CCS/C1=C\C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000004579121 210224788 /nfs/dbraw/zinc/22/47/88/210224788.db2.gz PZZPIUNFPIPITO-MGDWIPCISA-N 0 0 348.518 3.845 50 10 EHCARN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(C)C ZINC000098087018 219081804 /nfs/dbraw/zinc/08/18/04/219081804.db2.gz ALCMBGFZGCBFQN-RIYZIHGNSA-N 0 0 337.466 3.561 50 10 EHCARN Cc1cccc(NC2=NC(=O)C(=Cc3cccc4c3OCO4)S2)c1 ZINC000040139619 213271087 /nfs/dbraw/zinc/27/10/87/213271087.db2.gz HBTWQURUWGBUFP-OQLLNIDSSA-N 0 0 338.388 3.806 50 10 EHCARN Cc1cc(C(=O)NO[C@@H]2CCCCO2)c(C)n1-c1ccccc1C ZINC000072059990 216000352 /nfs/dbraw/zinc/00/03/52/216000352.db2.gz QOOCSQCMTXLWSE-GOSISDBHSA-N 0 0 328.412 3.591 50 10 EHCARN COc1ccc(Cl)cc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000072115707 216011159 /nfs/dbraw/zinc/01/11/59/216011159.db2.gz STXGXLULKIWEKF-UHFFFAOYSA-N 0 0 344.842 3.879 50 10 EHCARN CCn1ccc2ccc(CCC(=O)NCc3ccc(N(C)C)cc3)cc21 ZINC000075550814 216634211 /nfs/dbraw/zinc/63/42/11/216634211.db2.gz ZSGVXMRQWHFLTB-UHFFFAOYSA-N 0 0 349.478 3.976 50 10 EHCARN CC(C)c1nnc2n1N1C(=CS[C@H]1c1ccc(N(C)C)cc1)S2 ZINC000020746127 212168447 /nfs/dbraw/zinc/16/84/47/212168447.db2.gz JDTVUUMKLPNQEY-HNNXBMFYSA-N 0 0 345.497 3.756 50 10 EHCARN COc1cccc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)c1 ZINC000016677541 211927179 /nfs/dbraw/zinc/92/71/79/211927179.db2.gz FNITXGVQDJWRMC-PTNGSMBKSA-N 0 0 342.445 3.924 50 10 EHCARN Oc1ccccc1C1=N[C@@H](c2ccccn2)N[C@@H](c2ccccc2O)C1 ZINC000080324888 217297302 /nfs/dbraw/zinc/29/73/02/217297302.db2.gz OFWAEIMXKGFGCG-UTKZUKDTSA-N 0 0 345.402 3.715 50 10 EHCARN CCN(CC)c1ccc(CN(C)C(=O)c2ccc3[nH]cnc3c2)cc1 ZINC000009931414 211135228 /nfs/dbraw/zinc/13/52/28/211135228.db2.gz PWNZETUMBPLQSQ-UHFFFAOYSA-N 0 0 336.439 3.681 50 10 EHCARN CCn1c(-c2ccccc2)cnc1SCC(=O)N[C@H](C)C(C)C ZINC000007126676 258052861 /nfs/dbraw/zinc/05/28/61/258052861.db2.gz ZDDHGVXRVYBUAW-CQSZACIVSA-N 0 0 331.485 3.823 50 10 EHCARN O=C(COc1ccccc1F)NCc1ccc(N2CCCCC2)cc1 ZINC000062225654 132434970 /nfs/dbraw/zinc/43/49/70/132434970.db2.gz RTRDWKAJSIKDMA-UHFFFAOYSA-N 0 0 342.414 3.511 50 10 EHCARN CCOc1ccc(/C=C2/SC(N3CCCC3)=NC2=O)c(OCC)c1 ZINC000000087494 563221145 /nfs/dbraw/zinc/22/11/45/563221145.db2.gz VPORTFBSZSMLQZ-LFIBNONCSA-N 0 0 346.452 3.550 50 10 EHCARN COc1ccc(C2=C/C(=C/c3cc(OC)ccc3OC)C(=O)O2)cc1 ZINC000000199934 563258348 /nfs/dbraw/zinc/25/83/48/563258348.db2.gz VSKAFEVVHNYYFK-GDNBJRDFSA-N 0 0 338.359 3.694 50 10 EHCARN COc1ccc(-c2nc(-c3ccc(O)c(O)c3)cs2)cc1OC ZINC000000285823 563272693 /nfs/dbraw/zinc/27/26/93/563272693.db2.gz USTHRTPSFLWXTR-UHFFFAOYSA-N 0 0 329.377 3.906 50 10 EHCARN CCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)c(OCC)c1 ZINC000002742365 563448197 /nfs/dbraw/zinc/44/81/97/563448197.db2.gz HLBLZJOUSXGXCI-ZROIWOOFSA-N 0 0 337.466 3.705 50 10 EHCARN COc1ccc(CN2C(=O)/C(=C/c3ccco3)SC2=S)cc1 ZINC000002814044 563452295 /nfs/dbraw/zinc/45/22/95/563452295.db2.gz INGWUVMJBOCBLS-ZROIWOOFSA-N 0 0 331.418 3.690 50 10 EHCARN Cc1ccc(C(=O)CSc2nnc3c4ccccc4[nH]c3n2)cc1 ZINC000018087341 563848213 /nfs/dbraw/zinc/84/82/13/563848213.db2.gz QECOTHWWYCWPSJ-UHFFFAOYSA-N 0 0 334.404 3.790 50 10 EHCARN Cc1cccc2[nH]cc(CCNC(=O)N(C)Cc3ccccc3O)c21 ZINC000071799702 563921860 /nfs/dbraw/zinc/92/18/60/563921860.db2.gz ZZERILJAQBUASV-UHFFFAOYSA-N 0 0 337.423 3.566 50 10 EHCARN Cc1cc(C(=O)[C@@H](C)Sc2nc[nH]n2)c(C)n1-c1ccccc1 ZINC000005620802 564006572 /nfs/dbraw/zinc/00/65/72/564006572.db2.gz ISEBWACIVMVDOY-CYBMUJFWSA-N 0 0 326.425 3.576 50 10 EHCARN O=C1N=C(NC2CCCC2)SC1=Cc1ccc(OC(F)F)cc1 ZINC000003362594 1138094503 /nfs/dbraw/zinc/09/45/03/1138094503.db2.gz YANRGZWNVULRFW-UKTHLTGXSA-N 0 0 338.379 3.791 50 10 EHCARN CCC[C@H](C)NC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000003460595 210045033 /nfs/dbraw/zinc/04/50/33/210045033.db2.gz NSSMMWQCZWDGGK-AWEZNQCLSA-N 0 0 342.439 3.556 50 10 EHCARN CN(C)c1ccc(Nc2nc3c(s2)C(=O)c2ccccc2C3=O)cc1 ZINC000072194232 216068548 /nfs/dbraw/zinc/06/85/48/216068548.db2.gz LEVLQACRDNIMCT-UHFFFAOYSA-N 0 0 349.415 3.728 50 10 EHCARN CCc1ccc(-c2n[nH]cc2C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000072329195 216153351 /nfs/dbraw/zinc/15/33/51/216153351.db2.gz UVILTLXBGSQOGU-UHFFFAOYSA-N 0 0 348.450 3.635 50 10 EHCARN C[C@@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1ccccc1O ZINC000072410917 216202808 /nfs/dbraw/zinc/20/28/08/216202808.db2.gz KKDNREFLBZHRSJ-CQSZACIVSA-N 0 0 327.424 3.587 50 10 EHCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc2cccc(C)c2[nH]c1=O ZINC000022078828 212276666 /nfs/dbraw/zinc/27/66/66/212276666.db2.gz FZVJUFYIQPPMQC-PDGQHHTCSA-N 0 0 343.386 3.643 50 10 EHCARN Cc1nc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)c(C)s1 ZINC000216346324 241183095 /nfs/dbraw/zinc/18/30/95/241183095.db2.gz CERGDJBAGSBQPK-ZDUSSCGKSA-N 0 0 343.496 3.926 50 10 EHCARN CC(C)c1nnc2n1N1C(=CS[C@@H]1c1ccc(N(C)C)cc1)S2 ZINC000020746128 212168199 /nfs/dbraw/zinc/16/81/99/212168199.db2.gz JDTVUUMKLPNQEY-OAHLLOKOSA-N 0 0 345.497 3.756 50 10 EHCARN COCCCNC(=O)NCc1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000009228816 211054910 /nfs/dbraw/zinc/05/49/10/211054910.db2.gz 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/nfs/dbraw/zinc/11/79/80/518117980.db2.gz BTSRRYPCNHWVPH-JLTOFOAXSA-N 0 0 335.403 3.786 50 10 EHCARN COc1ccc(OC)c(Nc2nc(-c3sc(N)nc3C)cs2)c1 ZINC000000190506 563256256 /nfs/dbraw/zinc/25/62/56/563256256.db2.gz HRKHVNBKAKFINO-UHFFFAOYSA-N 0 0 348.453 3.918 50 10 EHCARN COc1cc(/C=C2\C=C(c3ccccc3)OC2=O)ccc1OC(C)=O ZINC000000308716 563279189 /nfs/dbraw/zinc/27/91/89/563279189.db2.gz UCZITQGONRVSFT-MHWRWJLKSA-N 0 0 336.343 3.602 50 10 EHCARN Cc1ccc(NC(=O)C[C@@H]2SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000001013840 563368416 /nfs/dbraw/zinc/36/84/16/563368416.db2.gz DXNXFDOTFNJPOQ-HNNXBMFYSA-N 0 0 340.404 3.592 50 10 EHCARN COc1ccccc1/C=C1/SC(=S)N(Cc2ccco2)C1=O ZINC000001216108 563379583 /nfs/dbraw/zinc/37/95/83/563379583.db2.gz IOTLGRCIVJPNMF-NTEUORMPSA-N 0 0 331.418 3.690 50 10 EHCARN CC1(C)OC(=O)C(=CSCc2ccc(Cl)cc2Cl)C(=O)O1 ZINC000001404310 563387729 /nfs/dbraw/zinc/38/77/29/563387729.db2.gz IKASRMCLBUQRKA-UHFFFAOYSA-N 0 0 347.219 3.947 50 10 EHCARN CN(C)c1ccc(/C=C/CN2CCN(c3ccccc3F)CC2)cc1 ZINC000004980796 563516998 /nfs/dbraw/zinc/51/69/98/563516998.db2.gz BUWYZOHUTAUJRH-AATRIKPKSA-N 0 0 339.458 3.727 50 10 EHCARN CC(C)(C)c1ccc(/C=C2/C(=O)NN(c3cccc(F)c3)C2=O)cc1 ZINC000017145936 563838491 /nfs/dbraw/zinc/83/84/91/563838491.db2.gz WNSQGWABWNKLCB-BOPFTXTBSA-N 0 0 338.382 3.585 50 10 EHCARN C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000071754865 563965266 /nfs/dbraw/zinc/96/52/66/563965266.db2.gz RCEZECQNFPRXFS-MRXNPFEDSA-N 0 0 344.480 3.716 50 10 EHCARN Cc1cccc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c1 ZINC000015800710 563967532 /nfs/dbraw/zinc/96/75/32/563967532.db2.gz LBZGEAHUHOKMCE-GQECEEOXSA-N 0 0 346.415 3.662 50 10 EHCARN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000000113293 563986606 /nfs/dbraw/zinc/98/66/06/563986606.db2.gz NPAGTEBPSXOJCF-PDGQHHTCSA-N 0 0 349.386 3.578 50 10 EHCARN CSC1=NSC2=NC(=O)/C(=C\c3ccc(C(C)C)cc3)C(=N)N12 ZINC000000214042 563988630 /nfs/dbraw/zinc/98/86/30/563988630.db2.gz WPXCXVZLLMMWIO-XWFJYDPRSA-N 0 0 344.465 3.750 50 10 EHCARN Cc1cc(-c2ccc(C=C3SC(=S)NC3=O)o2)ccc1[N+](=O)[O-] ZINC000005174144 563999955 /nfs/dbraw/zinc/99/99/55/563999955.db2.gz XOBPRFCFRIQVBN-QPEQYQDCSA-N 0 0 346.389 3.652 50 10 EHCARN Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000005699470 564019309 /nfs/dbraw/zinc/01/93/09/564019309.db2.gz PUNIFBJXDGIUNM-UHFFFAOYSA-N 0 0 348.402 3.753 50 10 EHCARN CN1C(=O)/C(=C/C=C\c2ccc(Br)cc2)SC1=S ZINC000005912456 564056981 /nfs/dbraw/zinc/05/69/81/564056981.db2.gz JBJVRZXZDBYWNX-RHSAXJQZSA-N 0 0 340.267 3.836 50 10 EHCARN CN(C)c1ccc([C@H]2OCCCN2C(=S)Nc2ccccc2)cc1 ZINC000001249839 564062709 /nfs/dbraw/zinc/06/27/09/564062709.db2.gz IYURRXGEVNWQFG-GOSISDBHSA-N 0 0 341.480 3.871 50 10 EHCARN Cc1cc2c(n1-c1ccc(C(=O)NCc3cccnc3)cc1)CCCC2 ZINC000006751323 564097175 /nfs/dbraw/zinc/09/71/75/564097175.db2.gz VBSVBVHKVWWVIC-UHFFFAOYSA-N 0 0 345.446 3.990 50 10 EHCARN COc1ccc(-n2c(C)cc(C=C3SC(=S)NC3=O)c2C)cc1 ZINC000012543627 564120049 /nfs/dbraw/zinc/12/00/49/564120049.db2.gz SCBCFUZZZPEIDZ-DHDCSXOGSA-N 0 0 344.461 3.592 50 10 EHCARN CCC(=O)N1N=C(c2ccc(O)c(OC)c2)C[C@H]1c1cccs1 ZINC000253426269 564131174 /nfs/dbraw/zinc/13/11/74/564131174.db2.gz GGYDQJGWXGVLCJ-ZDUSSCGKSA-N 0 0 330.409 3.550 50 10 EHCARN COc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000031091142 564158785 /nfs/dbraw/zinc/15/87/85/564158785.db2.gz RIVDKXIBISACQP-UHFFFAOYSA-N 0 0 325.412 3.617 50 10 EHCARN CSCCc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1 ZINC000069684347 564171440 /nfs/dbraw/zinc/17/14/40/564171440.db2.gz ABSQRGFZABLPOW-UHFFFAOYSA-N 0 0 330.453 3.962 50 10 EHCARN O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc21)[C@H]1CCCO1 ZINC000041978427 564174561 /nfs/dbraw/zinc/17/45/61/564174561.db2.gz PWOLFCUBWWATNE-TZIWHRDSSA-N 0 0 347.414 3.930 50 10 EHCARN CN(C)c1ccc(C=C(Cl)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000012533870 1130229669 /nfs/dbraw/zinc/22/96/69/1130229669.db2.gz QJGBFZVCKGWTRW-PTNGSMBKSA-N 0 0 325.799 3.726 50 10 EHCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(C)cc3)C2=N)S1 ZINC000004725383 210261398 /nfs/dbraw/zinc/26/13/98/210261398.db2.gz XXUXYNXMDFBGNM-JADYNCEHSA-N 0 0 326.425 3.804 50 10 EHCARN Cc1oc(-c2cccs2)nc1C(=O)N(C)Cc1ccccc1O ZINC000053916310 214204482 /nfs/dbraw/zinc/20/44/82/214204482.db2.gz SWDDVHGUPLLBRV-UHFFFAOYSA-N 0 0 328.393 3.689 50 10 EHCARN CCOc1ccc(/C=C2/SC(N3CCCC3)=NC2=O)cc1OCC ZINC000004694800 210250173 /nfs/dbraw/zinc/25/01/73/210250173.db2.gz XJAHEODUQUPNKP-FOWTUZBSSA-N 0 0 346.452 3.550 50 10 EHCARN CN1C(=O)/C(=C/c2cc(Cc3ccccc3)ccc2O)SC1=S ZINC000004675217 210243233 /nfs/dbraw/zinc/24/32/33/210243233.db2.gz YOZPSZZZHYTQPM-WJDWOHSUSA-N 0 0 341.457 3.814 50 10 EHCARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000003892424 210084813 /nfs/dbraw/zinc/08/48/13/210084813.db2.gz CDWWJJUGAPQPFT-CYBMUJFWSA-N 0 0 338.359 3.790 50 10 biogenic EHCARN CCN1C(=O)/C(=C\c2cc(C)n(Cc3ccco3)c2C)SC1=S ZINC000023200488 212359764 /nfs/dbraw/zinc/35/97/64/212359764.db2.gz XMDIBFZPXDCSJM-OQLLNIDSSA-N 0 0 346.477 3.967 50 10 EHCARN COc1ccccc1-c1c(C)oc2c(ccc([O-])c2C[NH+](C)C)c1=O ZINC000020412114 212127067 /nfs/dbraw/zinc/12/70/67/212127067.db2.gz CVCZPHJLADEJMU-UHFFFAOYSA-N 0 0 339.391 3.544 50 10 biogenic EHCARN COc1cccc(C=C2SC(Nc3ccccc3C)=NC2=O)c1O ZINC000012549086 211407014 /nfs/dbraw/zinc/40/70/14/211407014.db2.gz YHRJKSRBYNIZNW-GDNBJRDFSA-N 0 0 340.404 3.792 50 10 EHCARN CCCOc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1 ZINC000012436869 211380695 /nfs/dbraw/zinc/38/06/95/211380695.db2.gz REEFLTRHUFXXBA-SSZFMOIBSA-N 0 0 330.453 3.932 50 10 EHCARN Cc1cccc(N=CC2C(=O)OC3(CCCCC3)OC2=O)c1Cl ZINC000012274930 211331731 /nfs/dbraw/zinc/33/17/31/211331731.db2.gz OVQMGBWSPCEXLX-UHFFFAOYSA-N 0 0 335.787 3.705 50 10 EHCARN CCCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc(OC)c1O ZINC000009970816 211138097 /nfs/dbraw/zinc/13/80/97/211138097.db2.gz HSDZLAYZLVEBRG-AWEZNQCLSA-N 0 0 344.436 3.940 50 10 EHCARN O=C(NCCCSc1nccs1)N1CCC[C@H]1c1ccncc1 ZINC000095413621 218351466 /nfs/dbraw/zinc/35/14/66/218351466.db2.gz XBBSPZDCGFUDOW-AWEZNQCLSA-N 0 0 348.497 3.567 50 10 EHCARN Cc1n[nH]c(C)c1/C=C1/SC(=S)N(c2ccc(F)cc2)C1=O ZINC000097147316 218974084 /nfs/dbraw/zinc/97/40/84/218974084.db2.gz OYHUBFCBBDLZDO-NTUHNPAUSA-N 0 0 333.413 3.571 50 10 EHCARN O=C1NC(=S)S/C1=C/c1ccc(OCCc2ccccc2)cc1 ZINC000006927356 258052242 /nfs/dbraw/zinc/05/22/42/258052242.db2.gz VYNQJINPHORWHR-FOWTUZBSSA-N 0 0 341.457 3.797 50 10 EHCARN CCN(CC)c1ccc(/C=C2\NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000014009486 258056324 /nfs/dbraw/zinc/05/63/24/258056324.db2.gz AVBLEQIAZGVXDA-JXAWBTAJSA-N 0 0 335.407 3.630 50 10 EHCARN Oc1ccc(Cl)cc1[C@H]1C[C@@H](c2ccccc2)n2ncnc2N1 ZINC000000389016 563303776 /nfs/dbraw/zinc/30/37/76/563303776.db2.gz NXPCCCKULPDFFU-CABCVRRESA-N 0 0 326.787 3.783 50 10 EHCARN Cc1ccc([C@@H]2C[C@@H](c3ccc(N(C)C)cc3)Nc3ncnn32)cc1 ZINC000000408815 563307718 /nfs/dbraw/zinc/30/77/18/563307718.db2.gz BFBJXIGZPJPFAT-OALUTQOASA-N 0 0 333.439 3.799 50 10 EHCARN COc1ccc(C2=C/C(=C\c3ccccc3OC(C)=O)C(=O)O2)cc1 ZINC000000447444 563317735 /nfs/dbraw/zinc/31/77/35/563317735.db2.gz LIKQCZYSITXJML-LFIBNONCSA-N 0 0 336.343 3.602 50 10 EHCARN COc1ccc(Nc2nc(-c3sc(N)nc3C)cs2)c(OC)c1 ZINC000000613669 563356420 /nfs/dbraw/zinc/35/64/20/563356420.db2.gz VQFZHSYGNAHMSM-UHFFFAOYSA-N 0 0 348.453 3.918 50 10 EHCARN CN(c1ccccc1)c1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000001147353 563376310 /nfs/dbraw/zinc/37/63/10/563376310.db2.gz WZUWFPOJMZGJTP-RVDMUPIBSA-N 0 0 326.446 3.943 50 10 EHCARN CCCCc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)C2=O)C3(C)C)cc1 ZINC000001805583 563412866 /nfs/dbraw/zinc/41/28/66/563412866.db2.gz PPRDJLZONBKPBL-RTWAWAEBSA-N 0 0 341.451 3.932 50 10 EHCARN C[C@@H](O[C@H]1CC(=O)Cc2c(O)c3ccccc3c(O)c21)c1ccccc1 ZINC000005573065 563540802 /nfs/dbraw/zinc/54/08/02/563540802.db2.gz QPZYNQGSSNBJQS-YFMMTPMMSA-N 0 0 348.398 3.807 50 10 EHCARN c1cc2c(ncnc2N2CC=C(c3c[nH]c4ncccc34)CC2)s1 ZINC000022357200 563862584 /nfs/dbraw/zinc/86/25/84/563862584.db2.gz NZTNTMZBIRWVEQ-UHFFFAOYSA-N 0 0 333.420 3.861 50 10 EHCARN Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000041105578 563924360 /nfs/dbraw/zinc/92/43/60/563924360.db2.gz BKLFHCZVMUQFGF-UHFFFAOYSA-N 0 0 332.208 3.808 50 10 EHCARN CNc1ccc(Cl)cc1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000000261973 563989715 /nfs/dbraw/zinc/98/97/15/563989715.db2.gz RHYSABVJUQRRBF-UHFFFAOYSA-N 0 0 335.787 3.639 50 10 EHCARN Oc1c([C@@H](Nc2nccs2)c2cccnc2)ccc2cccnc21 ZINC000001106305 564054443 /nfs/dbraw/zinc/05/44/43/564054443.db2.gz GRQALDDEXYEUFH-HNNXBMFYSA-N 0 0 334.404 3.993 50 10 EHCARN CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)N1CCCCC1 ZINC000044085636 564059480 /nfs/dbraw/zinc/05/94/80/564059480.db2.gz CAOJIUGCGZCXBT-UHFFFAOYSA-N 0 0 343.496 3.983 50 10 EHCARN CCOc1ccccc1N1C(=O)/C(=C/c2ccncc2)SC1=S ZINC000001247728 564062683 /nfs/dbraw/zinc/06/26/83/564062683.db2.gz VVZJEEHJIODPGA-PTNGSMBKSA-N 0 0 342.445 3.886 50 10 EHCARN COc1ccc(N(C)Cc2cc(Cl)cc3c2OCOC3)cc1OC ZINC000063616733 564073471 /nfs/dbraw/zinc/07/34/71/564073471.db2.gz AVBXPPADHLCNOR-UHFFFAOYSA-N 0 0 349.814 3.860 50 10 EHCARN CCn1cc(-c2ccncc2)cc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000065209804 564102714 /nfs/dbraw/zinc/10/27/14/564102714.db2.gz FXPCPPJSSDUBKS-UHFFFAOYSA-N 0 0 348.450 3.566 50 10 EHCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc2ccc(C)cc2[nH]c1=O ZINC000012555275 564135274 /nfs/dbraw/zinc/13/52/74/564135274.db2.gz CEACDUIOMMXLJW-PDGQHHTCSA-N 0 0 343.386 3.643 50 10 EHCARN COc1cccc(/C=C2/SC(c3ccc(C)cc3)=NC2=O)c1O ZINC000032313551 564161200 /nfs/dbraw/zinc/16/12/00/564161200.db2.gz BCDMYTWXELVGAH-XNTDXEJSSA-N 0 0 325.389 3.770 50 10 EHCARN Cc1cc2c(cc1C)N1C(=NC(=O)/C(=C/c3ccc(O)cc3)C1=N)S2 ZINC000013540804 568415219 /nfs/dbraw/zinc/41/52/19/568415219.db2.gz NZAACQBEUZGFHZ-WJNHLLBISA-N 0 0 349.415 3.878 50 10 EHCARN COCCn1c(C)cc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1C ZINC000013038433 1020643302 /nfs/dbraw/zinc/64/33/02/1020643302.db2.gz XUZQAPMCRRXIHQ-SXGWCWSVSA-N 0 0 330.815 3.897 50 10 EHCARN O=C1NC(=S)SC1=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000015912600 1027337992 /nfs/dbraw/zinc/33/79/92/1027337992.db2.gz RYCKJICZBAYPJV-WQLSENKSSA-N 0 0 335.410 3.524 50 10 EHCARN Cc1ccn2c(C=C3SC(NC4CCCCC4)=NC3=O)cnc2c1 ZINC000170639984 1033360414 /nfs/dbraw/zinc/36/04/14/1033360414.db2.gz CRCRWEDXSAZVIM-XNTDXEJSSA-N 0 0 340.452 3.535 50 10 EHCARN CCN(CC)c1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1 ZINC000000461880 1037431895 /nfs/dbraw/zinc/43/18/95/1037431895.db2.gz MNZGHBJANZEQEU-QINSGFPZSA-N 0 0 326.421 3.939 50 10 EHCARN O=C1Nc2ccccc2/C1=C\c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000005692621 1138482626 /nfs/dbraw/zinc/48/26/26/1138482626.db2.gz DNHGWVRVVAZXAB-RVDMUPIBSA-N 0 0 335.363 3.688 50 10 EHCARN CC(C)CSC1=NSC2=NC(=O)/C(=C\c3ccccc3)C(=N)N12 ZINC000003894889 210086433 /nfs/dbraw/zinc/08/64/33/210086433.db2.gz BXZRGRLVENRJCI-XWFJYDPRSA-N 0 0 344.465 3.652 50 10 EHCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C/c4ccccc4)C3=N)S2)cc1 ZINC000003858699 210080546 /nfs/dbraw/zinc/08/05/46/210080546.db2.gz LRMXEHVNKQWLJL-UMWCEBECSA-N 0 0 346.415 3.662 50 10 EHCARN Cc1ccc(OCC(=O)NCc2ccc(N3CCCC3)cc2)c(C)c1 ZINC000067604961 215167386 /nfs/dbraw/zinc/16/73/86/215167386.db2.gz ZUJKAGDGAJSOPA-UHFFFAOYSA-N 0 0 338.451 3.599 50 10 EHCARN CCCOc1ccccc1/C=C1/SC(N2CCCCC2)=NC1=O ZINC000002298791 209838341 /nfs/dbraw/zinc/83/83/41/209838341.db2.gz BNHDPYYOSDNRBF-DTQAZKPQSA-N 0 0 330.453 3.932 50 10 EHCARN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000000112808 209429601 /nfs/dbraw/zinc/42/96/01/209429601.db2.gz ULJVDCKOFDQMPM-DHDCSXOGSA-N 0 0 333.815 3.669 50 10 EHCARN Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(N(C)C)cc1 ZINC000012542432 211403288 /nfs/dbraw/zinc/40/32/88/211403288.db2.gz QAJIKEXAWWXKRU-UHFFFAOYSA-N 0 0 335.407 3.646 50 10 EHCARN COc1ccc(-n2c(C)cc(CNC(=O)NCC(C)C)c2C)cc1 ZINC000009969739 211138293 /nfs/dbraw/zinc/13/82/93/211138293.db2.gz ZNILLYVCODJAQD-UHFFFAOYSA-N 0 0 329.444 3.558 50 10 EHCARN CN(C)c1ccc(N2C(=O)/C(=C/c3ccco3)SC2=S)cc1 ZINC000005067123 210382108 /nfs/dbraw/zinc/38/21/08/210382108.db2.gz BDTMSNPIIBOMLN-UVTDQMKNSA-N 0 0 330.434 3.751 50 10 EHCARN Cn1c(-c2ccccc2)cnc1SCC(=O)NC1CCCCC1 ZINC000007128942 258052751 /nfs/dbraw/zinc/05/27/51/258052751.db2.gz QPBQTRHQTFIMJJ-UHFFFAOYSA-N 0 0 329.469 3.628 50 10 EHCARN CCOc1ccc(-n2c(C)cc(C(=S)N3CCOCC3)c2C)cc1 ZINC000000133621 563239386 /nfs/dbraw/zinc/23/93/86/563239386.db2.gz XJRJJHQJROBKDB-UHFFFAOYSA-N 0 0 344.480 3.501 50 10 EHCARN O=c1oc2c(ccc([O-])c2C[NH+]2CCCCCC2)c2c1CCCC2 ZINC000000150029 563246111 /nfs/dbraw/zinc/24/61/11/563246111.db2.gz SCCQFAQJECPUFQ-UHFFFAOYSA-N 0 0 327.424 3.753 50 10 EHCARN O=S(=O)(Nc1ccc(O)c(Cl)c1)c1ccc2ccccc2c1 ZINC000002071667 563421388 /nfs/dbraw/zinc/42/13/88/563421388.db2.gz AMEJTNGSGMEXKT-UHFFFAOYSA-N 0 0 333.796 4.000 50 10 EHCARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(N(C)C)cc2)N3)C1 ZINC000002492909 563433971 /nfs/dbraw/zinc/43/39/71/563433971.db2.gz WJTMEJQKQJALTH-APPDUMDISA-N 0 0 341.480 3.793 50 10 EHCARN CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2)c2ccccc12 ZINC000003141101 563474370 /nfs/dbraw/zinc/47/43/70/563474370.db2.gz RRMJEWGASCVKRE-UHFFFAOYSA-N 0 0 343.404 3.745 50 10 EHCARN CCCCOc1ccccc1/C=C1\SC(N2CCCC2)=NC1=O ZINC000013511871 563700263 /nfs/dbraw/zinc/70/02/63/563700263.db2.gz SBLHLDXFFGDCRA-SSZFMOIBSA-N 0 0 330.453 3.932 50 10 EHCARN CC(=O)c1ccc(-c2ccc(C=C3SC(=S)NC3=O)o2)cc1 ZINC000013843902 563726000 /nfs/dbraw/zinc/72/60/00/563726000.db2.gz BMDUKCMLAWNULI-ZSOIEALJSA-N 0 0 329.402 3.638 50 10 EHCARN COc1ccc2c(c1)CCCN2CC(=O)Nc1cccc2ncccc21 ZINC000021333386 563860675 /nfs/dbraw/zinc/86/06/75/563860675.db2.gz IIIGOZLWTUZZMC-UHFFFAOYSA-N 0 0 347.418 3.635 50 10 EHCARN C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000028336223 563902518 /nfs/dbraw/zinc/90/25/18/563902518.db2.gz ASTNKBQWDVZGFY-AWEZNQCLSA-N 0 0 346.858 3.832 50 10 EHCARN Cc1cc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)c(C)n1-c1ccccc1 ZINC000075556659 563967365 /nfs/dbraw/zinc/96/73/65/563967365.db2.gz UXKZXEYCNOJVMN-KRWDZBQOSA-N 0 0 348.450 3.837 50 10 EHCARN Cc1ccc(Cl)cc1N1C(=O)CN(Cc2cccs2)C1=S ZINC000000216341 563988674 /nfs/dbraw/zinc/98/86/74/563988674.db2.gz GHHKSVSMJRCFRR-UHFFFAOYSA-N 0 0 336.869 3.844 50 10 EHCARN CCC(=O)N1N=C(c2ccc(OC)cc2O)C[C@H]1c1cccs1 ZINC000252489546 563997809 /nfs/dbraw/zinc/99/78/09/563997809.db2.gz JTDHXYNPMKQGNS-AWEZNQCLSA-N 0 0 330.409 3.550 50 10 EHCARN O=C1NC(=S)S/C1=C\c1c(OC(F)F)ccc2ccccc21 ZINC000012623454 564018735 /nfs/dbraw/zinc/01/87/35/564018735.db2.gz WUEBGHAWARRBIN-GHXNOFRVSA-N 0 0 337.372 3.930 50 10 EHCARN CC(C)(C)c1ccc(CSC=C2C(=O)OC(C)(C)OC2=O)cc1 ZINC000001404312 564065135 /nfs/dbraw/zinc/06/51/35/564065135.db2.gz IUEQYBKTTWJOAZ-UHFFFAOYSA-N 0 0 334.437 3.937 50 10 EHCARN Cc1c(C)n(C)c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc12 ZINC000015732215 564072695 /nfs/dbraw/zinc/07/26/95/564072695.db2.gz QSOHCBWEAWVOOC-UHFFFAOYSA-N 0 0 335.451 3.791 50 10 EHCARN Oc1ccc(Cl)cc1[C@H]1C[C@H](c2ccccc2)n2ncnc2N1 ZINC000000389015 564082674 /nfs/dbraw/zinc/08/26/74/564082674.db2.gz NXPCCCKULPDFFU-HUUCEWRRSA-N 0 0 326.787 3.783 50 10 EHCARN C[C@@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCO1 ZINC000252452794 564118524 /nfs/dbraw/zinc/11/85/24/564118524.db2.gz DKJFELXDCNWZLG-OAHLLOKOSA-N 0 0 338.411 3.761 50 10 EHCARN CCCCNc1ccc2c3c(cc(=O)n2C)-c2ccccc2C(=O)c13 ZINC000002144629 564119458 /nfs/dbraw/zinc/11/94/58/564119458.db2.gz NWWZJLRZCYKKNH-UHFFFAOYSA-N 0 0 332.403 3.962 50 10 biogenic EHCARN CC[C@@H](C)N1C(=O)c2ccccc2N[C@@H]1c1cccc(OC)c1O ZINC000007885516 564124395 /nfs/dbraw/zinc/12/43/95/564124395.db2.gz TXPMDZIDOUHKGS-XIKOKIGWSA-N 0 0 326.396 3.766 50 10 EHCARN CCCC(=O)N1N=C(c2ccc(O)c(OC)c2)C[C@@H]1c1ccccc1 ZINC000095945950 564142236 /nfs/dbraw/zinc/14/22/36/564142236.db2.gz UAQCXMXAIRJESZ-QGZVFWFLSA-N 0 0 338.407 3.879 50 10 EHCARN O=C(NCc1ccccc1O)Nc1ccccc1N1CCCCC1 ZINC000069417645 564169330 /nfs/dbraw/zinc/16/93/30/564169330.db2.gz OEOGNODNAVHPRR-UHFFFAOYSA-N 0 0 325.412 3.704 50 10 EHCARN Cc1c(NC(=O)N(C)Cc2ccccc2O)cccc1OC(F)F ZINC000069668772 564171425 /nfs/dbraw/zinc/17/14/25/564171425.db2.gz UCROALCCWHQMDQ-UHFFFAOYSA-N 0 0 336.338 3.966 50 10 EHCARN O=C(NCCCSc1nccs1)c1nc(Cl)ccc1Cl ZINC000069768970 564172002 /nfs/dbraw/zinc/17/20/02/564172002.db2.gz KUCPEFBQJFABEG-UHFFFAOYSA-N 0 0 348.280 3.757 50 10 EHCARN CN(Cc1ccccc1O)C(=O)c1ccc(OC2CCCC2)cc1 ZINC000053916100 214204175 /nfs/dbraw/zinc/20/41/75/214204175.db2.gz SBHHRIPKWARLMT-UHFFFAOYSA-N 0 0 325.408 3.986 50 10 EHCARN CCOc1cccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)c1 ZINC000040139651 213271066 /nfs/dbraw/zinc/27/10/66/213271066.db2.gz AJUBKRXHJVLKAZ-GDNBJRDFSA-N 0 0 342.445 3.886 50 10 EHCARN O=C1N=C(N2CCCC2)S/C1=C/c1cccc(Br)c1 ZINC000000064005 209397076 /nfs/dbraw/zinc/39/70/76/209397076.db2.gz GPFYMPXJAKGHIU-FMIVXFBMSA-N 0 0 337.242 3.515 50 10 EHCARN Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(Cl)c2C)cc1 ZINC000000065392 209396553 /nfs/dbraw/zinc/39/65/53/209396553.db2.gz STNDZYUKRMECAX-UHFFFAOYSA-N 0 0 325.817 3.772 50 10 EHCARN CC(C)c1ccc(-c2c(=O)c(=O)c2NCc2ccc(N(C)C)cc2)cc1 ZINC000020510307 212140975 /nfs/dbraw/zinc/14/09/75/212140975.db2.gz QVRPCZRYLWDKKZ-UHFFFAOYSA-N 0 0 348.446 3.751 50 10 EHCARN COc1ccc(OC)c(/C=C2\C(C)=NN(c3ccc(C)cc3)C2=O)c1 ZINC000019809236 212070752 /nfs/dbraw/zinc/07/07/52/212070752.db2.gz JXXRAFDWPWABHM-LDADJPATSA-N 0 0 336.391 3.818 50 10 EHCARN Cc1ccc(C2=NC(=O)/C(=C3/c4cc(C)cc(C)c4NC3=O)S2)cc1 ZINC000019731806 212058696 /nfs/dbraw/zinc/05/86/96/212058696.db2.gz USHNXOODGOJWPK-BMRADRMJSA-N 0 0 348.427 3.995 50 10 EHCARN O=C1/C(=C/c2ccccc2Cl)SC(=S)N1C[C@H]1CCCO1 ZINC000013564073 211580652 /nfs/dbraw/zinc/58/06/52/211580652.db2.gz KQTDRQTZVZTTBR-JYVXZMADSA-N 0 0 339.869 3.720 50 10 EHCARN COc1ccc(C=C2SC(NC3CCCCC3)=NC2=O)cc1C ZINC000011293849 211212284 /nfs/dbraw/zinc/21/22/84/211212284.db2.gz VMNAQYYPBWKOSV-WJDWOHSUSA-N 0 0 330.453 3.896 50 10 EHCARN Cc1c([O-])c(C[NH+]2CCC(C)CC2)cc2c3c(c(=O)oc12)CCCC3 ZINC000005235485 210420418 /nfs/dbraw/zinc/42/04/18/210420418.db2.gz YKQQTOZYMNZZOW-UHFFFAOYSA-N 0 0 341.451 3.918 50 10 EHCARN CCN1C(=O)/C(=C\c2ccccc2Br)SC1=S ZINC000005008596 210361313 /nfs/dbraw/zinc/36/13/13/210361313.db2.gz IDIQAAJSBJFKLX-JXMROGBWSA-N 0 0 328.256 3.670 50 10 EHCARN C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000028336216 262524266 /nfs/dbraw/zinc/52/42/66/262524266.db2.gz ASTNKBQWDVZGFY-CQSZACIVSA-N 0 0 346.858 3.832 50 10 EHCARN Oc1c([C@@H](Nc2ccccn2)c2ccncc2)ccc2cccnc21 ZINC000000086450 563220453 /nfs/dbraw/zinc/22/04/53/563220453.db2.gz GYRDVQBCFXEYGD-SFHVURJKSA-N 0 0 328.375 3.932 50 10 EHCARN COc1ccc(C2=C/C(=C\c3ccc(OC(C)=O)cc3)C(=O)O2)cc1 ZINC000000447609 563318026 /nfs/dbraw/zinc/31/80/26/563318026.db2.gz KZTHPCJPUAVZFG-LFIBNONCSA-N 0 0 336.343 3.602 50 10 EHCARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1Cc1ccco1 ZINC000001450932 563389846 /nfs/dbraw/zinc/38/98/46/563389846.db2.gz MKXNOKKSBOIWEG-JYRVWZFOSA-N 0 0 346.389 3.589 50 10 EHCARN O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1C1CCCC1 ZINC000002347194 563429781 /nfs/dbraw/zinc/42/97/81/563429781.db2.gz ZKGQKIVZQUZJSL-LCYFTJDESA-N 0 0 329.450 3.707 50 10 EHCARN COc1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000005593466 563541788 /nfs/dbraw/zinc/54/17/88/563541788.db2.gz XITXPORAXZSLRS-UHFFFAOYSA-N 0 0 347.827 3.956 50 10 EHCARN Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\SC(=S)N(C)C1=O ZINC000013471652 563699126 /nfs/dbraw/zinc/69/91/26/563699126.db2.gz HAKWNMXKVXGEEM-WQLSENKSSA-N 0 0 349.868 3.665 50 10 EHCARN CCOc1ccccc1/C=C1\SC(N2CCC(C)CC2)=NC1=O ZINC000013758543 563721589 /nfs/dbraw/zinc/72/15/89/563721589.db2.gz NIZVRACYWMQSMF-VBKFSLOCSA-N 0 0 330.453 3.788 50 10 EHCARN Cc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)n1C ZINC000015011061 563771850 /nfs/dbraw/zinc/77/18/50/563771850.db2.gz IAOWAWRCDIFYDS-ZSOIEALJSA-N 0 0 332.450 3.636 50 10 EHCARN CCCN1C(=O)/C(=C/c2ccc3c(c2)CCCN3C)SC1=S ZINC000027023073 563894401 /nfs/dbraw/zinc/89/44/01/563894401.db2.gz LOFUNYZNDVVFAT-PTNGSMBKSA-N 0 0 332.494 3.680 50 10 EHCARN C[C@H](Cc1nc(-c2ccc(O)c(O)c2)cs1)n1cc(Cl)cn1 ZINC000058193933 563939489 /nfs/dbraw/zinc/93/94/89/563939489.db2.gz LXNSURPNOVDRSO-SECBINFHSA-N 0 0 335.816 3.875 50 10 EHCARN Cc1ccc(C)n1-c1ncc(I)cc1Cl ZINC000141139838 564000239 /nfs/dbraw/zinc/00/02/39/564000239.db2.gz PZCQRALVOUBUHR-UHFFFAOYSA-N 0 0 332.572 3.747 50 10 EHCARN CCOc1ccc(N[C@H]2SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000006712529 564096304 /nfs/dbraw/zinc/09/63/04/564096304.db2.gz OCJUOZBMBQOIPJ-HNNXBMFYSA-N 0 0 344.461 3.888 50 10 EHCARN O=C1NC(=S)S/C1=C/c1ccc(OCc2cccc(F)c2)cc1 ZINC000059266479 564160973 /nfs/dbraw/zinc/16/09/73/564160973.db2.gz RJMMPKUMSXDECB-OQLLNIDSSA-N 0 0 345.420 3.894 50 10 EHCARN COc1ccc(N(CCC(N)=O)Cc2cccc3ccccc32)cc1 ZINC000008707957 564166526 /nfs/dbraw/zinc/16/65/26/564166526.db2.gz QZFRXPOCPSWFRG-UHFFFAOYSA-N 0 0 334.419 3.730 50 10 EHCARN CN(C)c1ccc([C@H]2CC(c3ccc(F)cc3)=Nc3ncnn32)cc1 ZINC000100635251 219103427 /nfs/dbraw/zinc/10/34/27/219103427.db2.gz GXJGLQPTQPZELK-GOSISDBHSA-N 0 0 335.386 3.539 50 10 EHCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNNc1cccc(C)c1 ZINC000004413326 210189043 /nfs/dbraw/zinc/18/90/43/210189043.db2.gz NZCJDRKHXAYHNA-UNOMPAQXSA-N 0 0 334.423 3.835 50 10 EHCARN CCCCN1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S ZINC000002707140 209892987 /nfs/dbraw/zinc/89/29/87/209892987.db2.gz WRIDJPGVZDNUCY-ZROIWOOFSA-N 0 0 337.466 3.705 50 10 EHCARN COc1ccc(NCc2cc(Br)ccc2O)cc1OC ZINC000040477091 213312533 /nfs/dbraw/zinc/31/25/33/213312533.db2.gz XETDVZRSZFQAFH-UHFFFAOYSA-N 0 0 338.201 3.784 50 10 EHCARN Cc1ccc(O[C@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000072115973 216011290 /nfs/dbraw/zinc/01/12/90/216011290.db2.gz KWRYFORSAJQINB-QGZVFWFLSA-N 0 0 338.451 3.679 50 10 EHCARN COc1cc(OC)cc(C(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000000381937 209561227 /nfs/dbraw/zinc/56/12/27/209561227.db2.gz XYKPIPMIOZMKLY-UHFFFAOYSA-N 0 0 326.396 3.556 50 10 aggregator EHCARN Cc1[nH]c2ccccc2c1C=C1C(=O)OC2(CCCCC2)OC1=O ZINC000000092728 209415488 /nfs/dbraw/zinc/41/54/88/209415488.db2.gz QFNUMHWMGPYNRJ-UHFFFAOYSA-N 0 0 325.364 3.620 50 10 EHCARN COc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1C ZINC000072437011 216232533 /nfs/dbraw/zinc/23/25/33/216232533.db2.gz SYVPKCWOFWTDFS-UHFFFAOYSA-N 0 0 338.451 3.924 50 10 EHCARN O=C(Cc1ccccc1)c1ccc([O-])c(C[NH+]2CCCCC2)c1O ZINC000023135312 212353638 /nfs/dbraw/zinc/35/36/38/212353638.db2.gz OGEHKOMXODVETQ-UHFFFAOYSA-N 0 0 325.408 3.509 50 10 biogenic EHCARN COc1ccc(C2=C/C(=C/c3ccc(OC)cc3OC)C(=O)O2)cc1 ZINC000022135404 212279334 /nfs/dbraw/zinc/27/93/34/212279334.db2.gz WRQAIVYXVZEEKV-GDNBJRDFSA-N 0 0 338.359 3.694 50 10 EHCARN Oc1ccccc1C1=N[C@H](c2ccccn2)N[C@@H](c2ccccc2O)C1 ZINC000080324879 217297650 /nfs/dbraw/zinc/29/76/50/217297650.db2.gz OFWAEIMXKGFGCG-DYESRHJHSA-N 0 0 345.402 3.715 50 10 EHCARN CCN1C(=O)/C(=C/c2cccc(OC)c2OC(C)C)SC1=S ZINC000005979381 210571718 /nfs/dbraw/zinc/57/17/18/210571718.db2.gz WOLDJIPSAIPJQJ-LCYFTJDESA-N 0 0 337.466 3.704 50 10 EHCARN Cc1cc(C)cc(NC=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 ZINC000005021800 210365712 /nfs/dbraw/zinc/36/57/12/210365712.db2.gz BGOIUOZHNFOKTQ-AHSSXEFNSA-N 0 0 348.493 3.596 50 10 EHCARN O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CN1CCCC1 ZINC000334163635 258016155 /nfs/dbraw/zinc/01/61/55/258016155.db2.gz ZKOUKMHXKWHOFT-LCYFTJDESA-N 0 0 338.885 3.595 50 10 EHCARN CC(=O)Nc1ccc(Nc2nc(-c3sc(N)nc3C)cs2)cc1 ZINC000000235287 563263796 /nfs/dbraw/zinc/26/37/96/563263796.db2.gz DCUSBOBFLJMFTB-UHFFFAOYSA-N 0 0 345.453 3.859 50 10 EHCARN COc1ccc(N2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000000496798 563338639 /nfs/dbraw/zinc/33/86/39/563338639.db2.gz UZMCVMRFDCILSO-UHFFFAOYSA-N 0 0 346.430 3.811 50 10 EHCARN CCCOC(=O)CCCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000002350517 563430070 /nfs/dbraw/zinc/43/00/70/563430070.db2.gz PLZHTGVGSXRNJL-OWBHPGMISA-N 0 0 349.477 3.621 50 10 EHCARN CCN1C(=O)/C(=C/c2c(F)c(F)c(F)c(F)c2F)SC1=S ZINC000002769174 563450234 /nfs/dbraw/zinc/45/02/34/563450234.db2.gz RXNPEASDNKXEOZ-HYXAFXHYSA-N 0 0 339.310 3.603 50 10 EHCARN O=C(NC1CCC(O)CC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000071913550 563600381 /nfs/dbraw/zinc/60/03/81/563600381.db2.gz QIWWCMCNOCNKDK-UHFFFAOYSA-N 0 0 346.471 3.540 50 10 EHCARN CCN(CC)c1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1 ZINC000013547657 563701022 /nfs/dbraw/zinc/70/10/22/563701022.db2.gz ZXVCYEJBLDNEJY-VKAVYKQESA-N 0 0 343.496 3.989 50 10 EHCARN COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1O ZINC000015011463 563771791 /nfs/dbraw/zinc/77/17/91/563771791.db2.gz AMYMEJDOXQUFPU-XNTDXEJSSA-N 0 0 349.477 3.935 50 10 EHCARN O=C(Nc1ccc(F)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000032937677 563852554 /nfs/dbraw/zinc/85/25/54/563852554.db2.gz KJFCEGMNZAQOBR-QGZVFWFLSA-N 0 0 344.386 3.744 50 10 EHCARN C[C@@H](Cc1nc(-c2ccc(O)c(O)c2)cs1)n1cc(Cl)cn1 ZINC000058193928 563939458 /nfs/dbraw/zinc/93/94/58/563939458.db2.gz LXNSURPNOVDRSO-VIFPVBQESA-N 0 0 335.816 3.875 50 10 EHCARN O=C(Cc1noc2ccccc21)NCc1ccc(N2CCCCC2)cc1 ZINC000058281916 563941581 /nfs/dbraw/zinc/94/15/81/563941581.db2.gz WYSYROSUJPDIBR-UHFFFAOYSA-N 0 0 349.434 3.677 50 10 EHCARN CN(C)c1ccc(CNC(=O)Nc2nc3ccccc3s2)cc1F ZINC000058514979 563946697 /nfs/dbraw/zinc/94/66/97/563946697.db2.gz XNNOHDFMSJZUPT-UHFFFAOYSA-N 0 0 344.415 3.823 50 10 EHCARN CCC(=O)N[C@@H](c1ccc(OC)cc1)c1ccc2cccnc2c1O ZINC000000102619 563984093 /nfs/dbraw/zinc/98/40/93/563984093.db2.gz FSLHISZBVSUXSA-SFHVURJKSA-N 0 0 336.391 3.565 50 10 EHCARN Cc1cc(C(=O)CSc2nc[nH]n2)c(C)n1-c1ccc(C)c(F)c1 ZINC000006365858 564002221 /nfs/dbraw/zinc/00/22/21/564002221.db2.gz SMVYXDJFMFLXPU-UHFFFAOYSA-N 0 0 344.415 3.635 50 10 EHCARN CCN1C(=O)/C(=C/c2coc3cc(C)cc(C)c3c2=O)SC1=S ZINC000005715770 564022023 /nfs/dbraw/zinc/02/20/23/564022023.db2.gz KDVNIPBXBPCKPO-QPEQYQDCSA-N 0 0 345.445 3.631 50 10 EHCARN CCOc1cc(/C=C2/C(=O)N(c3cccc(C)c3)N=C2C)ccc1O ZINC000005718512 564023316 /nfs/dbraw/zinc/02/33/16/564023316.db2.gz QSGWLXNWAMITIY-GZTJUZNOSA-N 0 0 336.391 3.905 50 10 EHCARN COc1ccc(C2=NN[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000000568012 564023459 /nfs/dbraw/zinc/02/34/59/564023459.db2.gz LFEPVZOBWSQTMH-OAHLLOKOSA-N 0 0 347.212 3.602 50 10 EHCARN Cc1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)c(C)n1-c1ccccn1 ZINC000063817852 564078761 /nfs/dbraw/zinc/07/87/61/564078761.db2.gz JRRKDXCKIBPOOJ-UHFFFAOYSA-N 0 0 349.438 3.829 50 10 EHCARN Cc1cc(C(=O)CSc2nc[nH]n2)c(C)n1-c1cccc(Cl)c1 ZINC000006365831 564085354 /nfs/dbraw/zinc/08/53/54/564085354.db2.gz QSBJRLSARLHONO-UHFFFAOYSA-N 0 0 346.843 3.841 50 10 EHCARN CCOc1ccccc1N1C(=O)/C(=C/c2cccnc2)SC1=S ZINC000001812169 564088698 /nfs/dbraw/zinc/08/86/98/564088698.db2.gz FTKQHPQACFNGAL-GDNBJRDFSA-N 0 0 342.445 3.886 50 10 EHCARN Cc1nn(C)cc1/C=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000006527147 564091449 /nfs/dbraw/zinc/09/14/49/564091449.db2.gz PQHUVIRKYOCRNQ-CPNJWEJPSA-N 0 0 342.402 3.563 50 10 EHCARN Cc1cc(C)c(NC(=O)CN(C)c2ccc3c(c2)OCO3)c(Cl)c1 ZINC000089568889 564092902 /nfs/dbraw/zinc/09/29/02/564092902.db2.gz UFOVDNOSFWQDDM-UHFFFAOYSA-N 0 0 346.814 3.760 50 10 EHCARN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2ccc(Cl)cc2Cl)c1 ZINC000057567063 564154976 /nfs/dbraw/zinc/15/49/76/564154976.db2.gz XLAHUFSOMVCGLG-UHFFFAOYSA-N 0 0 327.167 3.897 50 10 EHCARN CCCN1C(=O)/C(=C\c2cc3c(c(Cl)c2)OCO3)SC1=S ZINC000014245796 1038728246 /nfs/dbraw/zinc/72/82/46/1038728246.db2.gz MJVMTQHUSXEYNT-IZZDOVSWSA-N 0 0 341.841 3.680 50 10 EHCARN CC(C)n1ncc2cc(NC(=O)/C=C\c3ccc(N(C)C)cc3)cnc21 ZINC000096926518 1039541396 /nfs/dbraw/zinc/54/13/96/1039541396.db2.gz BWLXDFAHDFAYFF-YFHOEESVSA-N 0 0 349.438 3.730 50 10 EHCARN Cc1ncsc1/C=C1\CCn2c1nc1ccc(Cl)cc1c2=O ZINC000221800483 1138217397 /nfs/dbraw/zinc/21/73/97/1138217397.db2.gz NUZWAXOPRFTLSU-UXBLZVDNSA-N 0 0 329.812 3.759 50 10 EHCARN CN(Cc1ccccc1O)C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000053916156 214204368 /nfs/dbraw/zinc/20/43/68/214204368.db2.gz XKLWQRPAHQNRKW-UHFFFAOYSA-N 0 0 342.782 3.973 50 10 EHCARN CN1CCN(Cc2c[nH]nc2-c2cccnc2)c2cc(Cl)ccc21 ZINC000153366353 529773282 /nfs/dbraw/zinc/77/32/82/529773282.db2.gz AQQWLVZHOJOVGL-UHFFFAOYSA-N 0 0 339.830 3.582 50 10 EHCARN CC(NCC(C)C)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000100422713 219099132 /nfs/dbraw/zinc/09/91/32/219099132.db2.gz OPDYDZGSISAFPN-PTNGSMBKSA-N 0 0 328.441 3.538 50 10 EHCARN Cc1cc(C)c(O)c(C2=NN[C@@H](c3ccc(Br)o3)C2)c1 ZINC000004423354 210190684 /nfs/dbraw/zinc/19/06/84/210190684.db2.gz CVDDLJMDFOXTFU-GFCCVEGCSA-N 0 0 335.201 3.803 50 10 EHCARN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccs1 ZINC000004151782 210134382 /nfs/dbraw/zinc/13/43/82/210134382.db2.gz NJRWCOMKYRSEOF-UHFFFAOYSA-N 0 0 333.368 3.776 50 10 EHCARN O=c1nc(C(F)(F)F)cc(C=Cc2ccc(N3CCCC3)cc2)[nH]1 ZINC000004082554 210114319 /nfs/dbraw/zinc/11/43/19/210114319.db2.gz QVILAMQEWHPVDX-ZZXKWVIFSA-N 0 0 335.329 3.559 50 10 EHCARN COC[C@H](C)NC(=O)/C=C/c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000012545344 211405165 /nfs/dbraw/zinc/40/51/65/211405165.db2.gz WUNUSYZRZGZPNT-SHQCLWGWSA-N 0 0 326.440 3.567 50 10 EHCARN CCCn1c(C)nnc1CSc1ncc(-c2ccccc2)n1C ZINC000095448522 218393163 /nfs/dbraw/zinc/39/31/63/218393163.db2.gz BKNJBPAMUDEZBI-UHFFFAOYSA-N 0 0 327.457 3.689 50 10 EHCARN CCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S ZINC000005008533 210361012 /nfs/dbraw/zinc/36/10/12/210361012.db2.gz NXPOAXWIFPXKAK-JXMROGBWSA-N 0 0 328.256 3.670 50 10 EHCARN CCCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S ZINC000004795117 210279857 /nfs/dbraw/zinc/27/98/57/210279857.db2.gz TYSDPNSLIMQIPH-GXDHUFHOSA-N 0 0 337.466 3.705 50 10 EHCARN COc1ccc(N2CCN(C(=O)c3ccc(C)cc3Cl)CC2)cc1 ZINC000000614278 563357044 /nfs/dbraw/zinc/35/70/44/563357044.db2.gz OQKKHJNYSVQJIV-UHFFFAOYSA-N 0 0 344.842 3.619 50 10 EHCARN O=Cc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000000966776 563366356 /nfs/dbraw/zinc/36/63/56/563366356.db2.gz VFFSLHRMNXJEBM-YBEGLDIGSA-N 0 0 339.441 3.901 50 10 EHCARN Cc1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])o3)SC2=S)c1 ZINC000001159336 563376354 /nfs/dbraw/zinc/37/63/54/563376354.db2.gz VWYCSZARMDVLCY-WQLSENKSSA-N 0 0 346.389 3.902 50 10 EHCARN O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1ccc(O)cc1 ZINC000001202961 563378778 /nfs/dbraw/zinc/37/87/78/563378778.db2.gz ZENZSPKWZZIGSX-ZROIWOOFSA-N 0 0 329.402 3.504 50 10 EHCARN Cc1cccc(-n2ccnc2SCC(=O)c2ccc(O)c(O)c2)c1 ZINC000026046382 563889798 /nfs/dbraw/zinc/88/97/98/563889798.db2.gz SVZJPBQXDODEPX-UHFFFAOYSA-N 0 0 340.404 3.567 50 10 EHCARN Cc1cc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c(C)n1-c1ccccc1 ZINC000075556663 563967355 /nfs/dbraw/zinc/96/73/55/563967355.db2.gz UXKZXEYCNOJVMN-QGZVFWFLSA-N 0 0 348.450 3.837 50 10 EHCARN C[C@@H]1SCCN(C(=O)Cc2ccc(N)cc2)[C@H]1c1ccccc1 ZINC000237386144 563991942 /nfs/dbraw/zinc/99/19/42/563991942.db2.gz WQVATQGUXFLWMM-IFXJQAMLSA-N 0 0 326.465 3.517 50 10 EHCARN C[C@H]1SCCN(C(=O)Cc2ccc(N)cc2)[C@H]1c1ccccc1 ZINC000237601286 563993439 /nfs/dbraw/zinc/99/34/39/563993439.db2.gz WQVATQGUXFLWMM-AUUYWEPGSA-N 0 0 326.465 3.517 50 10 EHCARN Cn1c(-c2ccccc2)cnc1SCc1nc(N)c2ccccc2n1 ZINC000018339592 564024183 /nfs/dbraw/zinc/02/41/83/564024183.db2.gz OJNUGTDGECBFCQ-UHFFFAOYSA-N 0 0 347.447 3.905 50 10 EHCARN Oc1ccc(-c2cccnc2)cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000299769491 564060749 /nfs/dbraw/zinc/06/07/49/564060749.db2.gz XQIYFYVAOGVGQQ-UHFFFAOYSA-N 0 0 345.446 3.776 50 10 EHCARN Cc1sc2ncnc(SCC(=O)c3ccc(O)c(O)c3)c2c1C ZINC000006113141 564074370 /nfs/dbraw/zinc/07/43/70/564074370.db2.gz WGEQXUJREWXBDU-UHFFFAOYSA-N 0 0 346.433 3.694 50 10 EHCARN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C/c1cccs1 ZINC000006199758 564081997 /nfs/dbraw/zinc/08/19/97/564081997.db2.gz OENYAGZGZMOEBU-LFIBNONCSA-N 0 0 339.416 3.934 50 10 EHCARN CC(=O)Nc1cccc(NC=C2C(C)=NN(c3ccc(C)cc3)C2=O)c1 ZINC000006815006 564098684 /nfs/dbraw/zinc/09/86/84/564098684.db2.gz CEABNZITXDLCMV-UNOMPAQXSA-N 0 0 348.406 3.672 50 10 EHCARN CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)ccc1O ZINC000013914316 564112120 /nfs/dbraw/zinc/11/21/20/564112120.db2.gz QSGWLXNWAMITIY-BOPFTXTBSA-N 0 0 336.391 3.905 50 10 EHCARN CCN(CC)c1ccc([C@H]2NN=C(c3ccccc3O)S2)cc1 ZINC000103451035 564177281 /nfs/dbraw/zinc/17/72/81/564177281.db2.gz ZIEYFFFXSJRKHR-KRWDZBQOSA-N 0 0 327.453 3.935 50 10 EHCARN CCOC(=O)CC1(Cc2ccc(C)cc2)C(=O)c2ccccc2C1=O ZINC000000290885 1033425166 /nfs/dbraw/zinc/42/51/66/1033425166.db2.gz FYCLBPACFAPHFQ-UHFFFAOYSA-N 0 0 336.387 3.556 50 10 EHCARN Nc1ccc(CC(=O)N2CCCC[C@@H]2CCc2cccs2)cc1 ZINC000952980213 1137484777 /nfs/dbraw/zinc/48/47/77/1137484777.db2.gz JTBBPCQPJWTESL-QGZVFWFLSA-N 0 0 328.481 3.887 50 10 EHCARN CCOC(=O)CCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S ZINC000004725621 210261885 /nfs/dbraw/zinc/26/18/85/210261885.db2.gz PDEPVJVKHVLLNC-KAMYIIQDSA-N 0 0 349.477 3.540 50 10 EHCARN COc1ccc(CN(C(=O)/C=C\c2cccnc2)c2ccncc2)cc1 ZINC000098013355 219068915 /nfs/dbraw/zinc/06/89/15/219068915.db2.gz CUKUCVQTDYRTBB-TWGQIWQCSA-N 0 0 345.402 3.732 50 10 EHCARN CCOC(=O)c1c(C)nc2c(c1-c1cccnc1)C(=O)c1ccccc1-2 ZINC000004372277 210181679 /nfs/dbraw/zinc/18/16/79/210181679.db2.gz CGUMPEZPFJTMED-UHFFFAOYSA-N 0 0 344.370 3.840 50 10 EHCARN Cc1cc(/C=C2/NC(=S)N(C3CCCCC3)C2=O)c(C)n1C1CC1 ZINC000101448243 219127219 /nfs/dbraw/zinc/12/72/19/219127219.db2.gz OBNGAPXFANKWDA-GZTJUZNOSA-N 0 0 343.496 3.830 50 10 EHCARN Cc1ccc(Nc2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1 ZINC000003879122 210083666 /nfs/dbraw/zinc/08/36/66/210083666.db2.gz KDKVVQBBFVQTPQ-UHFFFAOYSA-N 0 0 345.354 3.925 50 10 biogenic EHCARN CCCOC(=O)CCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S ZINC000002217112 209830866 /nfs/dbraw/zinc/83/08/66/209830866.db2.gz NIXOKRATIXCAJJ-KAMYIIQDSA-N 0 0 349.477 3.540 50 10 EHCARN COc1cc(NCc2cc(Br)ccc2O)cc(OC)c1 ZINC000040477092 213312786 /nfs/dbraw/zinc/31/27/86/213312786.db2.gz IVNCFCYYPPAFAR-UHFFFAOYSA-N 0 0 338.201 3.784 50 10 EHCARN O=c1cc(-c2ccccc2)c2cc(Cl)c(OC[C@@H]3CO3)cc2o1 ZINC000030822700 212711018 /nfs/dbraw/zinc/71/10/18/212711018.db2.gz YYATWTQAWFFZNT-LBPRGKRZSA-N 0 0 328.751 3.891 50 10 EHCARN Cc1ccc([C@@H]2C[C@H](c3ccc(N(C)C)cc3)n3ncnc3N2)cc1 ZINC000000407810 209572244 /nfs/dbraw/zinc/57/22/44/209572244.db2.gz RAGXUGCDQGRNGQ-RBUKOAKNSA-N 0 0 333.439 3.799 50 10 EHCARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(O)c2ccccc12 ZINC000000081763 209406893 /nfs/dbraw/zinc/40/68/93/209406893.db2.gz HCSXMNBZMJNQDV-UHFFFAOYSA-N 0 0 331.368 3.794 50 10 EHCARN CCCN1C(=O)C(=Cc2c[nH]nc2-c2ccccc2)SC1=S ZINC000009270943 211061757 /nfs/dbraw/zinc/06/17/57/211061757.db2.gz VKBUYHLFYCQFIJ-LCYFTJDESA-N 0 0 329.450 3.688 50 10 EHCARN CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccc(OC)c1O ZINC000008774982 211003154 /nfs/dbraw/zinc/00/31/54/211003154.db2.gz BCQYNGDAXVRWQZ-QGZVFWFLSA-N 0 0 338.407 3.879 50 10 EHCARN CC(=O)Nc1ccc(N2C(=O)/C(=C\c3ccco3)SC2=S)cc1 ZINC000008565915 210967337 /nfs/dbraw/zinc/96/73/37/210967337.db2.gz GNQMOPAWEQDJAJ-NTEUORMPSA-N 0 0 344.417 3.644 50 10 EHCARN CCCO[C@@H]1CCCN(c2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC000004168925 135662902 /nfs/dbraw/zinc/66/29/02/135662902.db2.gz WXBMPCQDCIWPOD-OAHLLOKOSA-N 0 0 349.430 3.857 50 10 EHCARN COc1ccc(OC)c(/C=C2\SC(N3CCCCCC3)=NC2=O)c1 ZINC000000209912 563260719 /nfs/dbraw/zinc/26/07/19/563260719.db2.gz UXGBQDVDWBPQQY-VBKFSLOCSA-N 0 0 346.452 3.550 50 10 EHCARN CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1cccc2nsnc21 ZINC000000213008 563261134 /nfs/dbraw/zinc/26/11/34/563261134.db2.gz ANDSQYNNTRMVSM-UHFFFAOYSA-N 0 0 347.465 3.523 50 10 EHCARN COc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000000215865 563261885 /nfs/dbraw/zinc/26/18/85/563261885.db2.gz NOLQRBMUAADLKV-UHFFFAOYSA-N 0 0 345.830 3.703 50 10 EHCARN Cc1ccc([C@H]2C[C@@H](c3ccc(N(C)C)cc3)Nc3ncnn32)cc1 ZINC000000408814 563307703 /nfs/dbraw/zinc/30/77/03/563307703.db2.gz BFBJXIGZPJPFAT-RBUKOAKNSA-N 0 0 333.439 3.799 50 10 EHCARN CC(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc21 ZINC000000446338 563317349 /nfs/dbraw/zinc/31/73/49/563317349.db2.gz OSCBMTMQZNLLGE-IBGZPJMESA-N 0 0 336.347 3.679 50 10 EHCARN CCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(N(C)C)cc1 ZINC000000613563 563356471 /nfs/dbraw/zinc/35/64/71/563356471.db2.gz RMCJSBYGBLYBCV-INIZCTEOSA-N 0 0 327.453 3.902 50 10 EHCARN CC(=O)N[C@H](c1ccccc1)c1cc(Cl)c2cccnc2c1O ZINC000000087249 563715707 /nfs/dbraw/zinc/71/57/07/563715707.db2.gz OGOXQDKTBGYXDB-MRXNPFEDSA-N 0 0 326.783 3.819 50 10 EHCARN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000013810278 563724057 /nfs/dbraw/zinc/72/40/57/563724057.db2.gz VENQLWYJJXDNOD-DHDCSXOGSA-N 0 0 330.384 3.899 50 10 EHCARN CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc2ncccc21 ZINC000016102411 563803582 /nfs/dbraw/zinc/80/35/82/563803582.db2.gz DCKSGMLWQWWXOE-LGMDPLHJSA-N 0 0 328.375 3.953 50 10 EHCARN Cc1cc(C)n(Cc2ccc(C(=O)N(C)Cc3ccccc3O)cc2)n1 ZINC000058343518 563943056 /nfs/dbraw/zinc/94/30/56/563943056.db2.gz YKXYDDYIAPPQTF-UHFFFAOYSA-N 0 0 349.434 3.526 50 10 EHCARN Cc1cc(C(=O)N2Cc3ccccc3[C@H](O)C2)c(C)n1-c1ccccc1 ZINC000082096281 563972118 /nfs/dbraw/zinc/97/21/18/563972118.db2.gz YXCDOBUXIVLVDM-OAQYLSRUSA-N 0 0 346.430 3.784 50 10 EHCARN CC(=O)N[C@H](c1ccc(N(C)C)cc1)c1c(O)ccc2ccccc21 ZINC000000264553 563989864 /nfs/dbraw/zinc/98/98/64/563989864.db2.gz YSHSLFQVPOQIHV-OAQYLSRUSA-N 0 0 334.419 3.837 50 10 EHCARN CCOc1ccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)cc1 ZINC000005181773 564000074 /nfs/dbraw/zinc/00/00/74/564000074.db2.gz XZHLANLDWFEBRY-XNTDXEJSSA-N 0 0 342.445 3.886 50 10 EHCARN Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2O)C3=O)cc1 ZINC000003091825 564004147 /nfs/dbraw/zinc/00/41/47/564004147.db2.gz ZPOVHVDPDFNNQR-UHFFFAOYSA-N 0 0 346.342 3.567 50 10 EHCARN Cc1cc(C(=O)[C@H](C)Sc2nc[nH]n2)c(C)n1-c1ccccc1 ZINC000005620805 564006594 /nfs/dbraw/zinc/00/65/94/564006594.db2.gz ISEBWACIVMVDOY-ZDUSSCGKSA-N 0 0 326.425 3.576 50 10 EHCARN CN(C)c1ccc(CN(C)C(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000018150430 564018411 /nfs/dbraw/zinc/01/84/11/564018411.db2.gz JYLXCOPTMKAHNK-UHFFFAOYSA-N 0 0 335.451 3.825 50 10 EHCARN Cc1ccccc1N1C(=O)C(=CC=Cc2ccco2)C(=O)[N-]C1=S ZINC000000545706 564022687 /nfs/dbraw/zinc/02/26/87/564022687.db2.gz FWZDOGWMDZWIAL-CEOICYJGSA-N 0 0 338.388 3.816 50 10 EHCARN COc1ccc(C2=NN[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000000568015 564023435 /nfs/dbraw/zinc/02/34/35/564023435.db2.gz LFEPVZOBWSQTMH-HNNXBMFYSA-N 0 0 347.212 3.602 50 10 EHCARN COc1cccc(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)c1 ZINC000006007311 564057573 /nfs/dbraw/zinc/05/75/73/564057573.db2.gz LCSDFJDUGBQUAC-OQLLNIDSSA-N 0 0 343.429 3.807 50 10 EHCARN COc1cccc(-n2c(C)cc(C(=O)Nc3c(C)noc3C)c2C)c1 ZINC000063489080 564057657 /nfs/dbraw/zinc/05/76/57/564057657.db2.gz WQNIQSAVUOBVCJ-UHFFFAOYSA-N 0 0 339.395 3.960 50 10 EHCARN O=C1/C(=C\c2cccs2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000001248950 564062706 /nfs/dbraw/zinc/06/27/06/564062706.db2.gz WWXPHNJSOAZQRC-NTUHNPAUSA-N 0 0 347.442 3.883 50 10 EHCARN C[C@H]1CCC[C@H](C)[NH+]1Cc1cc2c3c(c(=O)oc2cc1[O-])CCC3 ZINC000006078278 564073511 /nfs/dbraw/zinc/07/35/11/564073511.db2.gz RKUHDQVHEZHFQE-STQMWFEESA-N 0 0 327.424 3.750 50 10 EHCARN C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc2c3c(c(=O)oc2cc1[O-])CCC3 ZINC000006078268 564073535 /nfs/dbraw/zinc/07/35/35/564073535.db2.gz RKUHDQVHEZHFQE-BETUJISGSA-N 0 0 327.424 3.750 50 10 EHCARN O=C(N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O)C(F)(F)F ZINC000006590548 564092478 /nfs/dbraw/zinc/09/24/78/564092478.db2.gz VBSVFCVUBVAXMH-CQSZACIVSA-N 0 0 334.297 3.632 50 10 EHCARN O=C(c1ccccc1)N1N=C(c2ccco2)C[C@@H]1c1ccccc1O ZINC000008734922 564167102 /nfs/dbraw/zinc/16/71/02/564167102.db2.gz YDKHKTKGVYXCOC-QGZVFWFLSA-N 0 0 332.359 3.977 50 10 EHCARN CN(C)c1ccc(C=C2SC(NC3CCCCC3)=NC2=O)cc1 ZINC000057548731 214435702 /nfs/dbraw/zinc/43/57/02/214435702.db2.gz BHWWLIQLUJQINF-FOWTUZBSSA-N 0 0 329.469 3.645 50 10 EHCARN COc1ccc(/C=C2/C(C)=NN(c3cccc(C)c3)C2=O)cc1OC ZINC000004614044 210232174 /nfs/dbraw/zinc/23/21/74/210232174.db2.gz IAPIHAGWQUEMIA-BOPFTXTBSA-N 0 0 336.391 3.818 50 10 EHCARN CC(=O)Nc1ccc(NC=C2C(C)=NN(c3ccc(C)cc3)C2=O)cc1 ZINC000100040880 219089125 /nfs/dbraw/zinc/08/91/25/219089125.db2.gz SKQPOQLSLLROJI-UNOMPAQXSA-N 0 0 348.406 3.672 50 10 EHCARN O=C1NN=C(c2ccccc2)C1=CNc1cccc(C(F)(F)F)c1 ZINC000100408023 219098644 /nfs/dbraw/zinc/09/86/44/219098644.db2.gz DXKUHAOGVKMMMH-UVTDQMKNSA-N 0 0 331.297 3.535 50 10 EHCARN O=C1c2ccccc2C(=O)C1C1(O)c2ccccc2Oc2ccccc21 ZINC000100704217 219104982 /nfs/dbraw/zinc/10/49/82/219104982.db2.gz CFBGJLGQPKETPB-UHFFFAOYSA-N 0 0 342.350 3.724 50 10 EHCARN CCCCOc1ccc2nc3c(nc2c1)C(=O)c1ccccc1C3=O ZINC000004307497 210166685 /nfs/dbraw/zinc/16/66/85/210166685.db2.gz BDIXGUCXUXLBCE-UHFFFAOYSA-N 0 0 332.359 3.584 50 10 EHCARN CN(/N=N/c1nonc1-c1ccccc1)c1nonc1-c1ccccc1 ZINC000004109493 210121746 /nfs/dbraw/zinc/12/17/46/210121746.db2.gz FUPIBBUGTIYGBU-PTGBLXJZSA-N 0 0 347.338 3.922 50 10 EHCARN Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000037087357 213132808 /nfs/dbraw/zinc/13/28/08/213132808.db2.gz XQQBKAYQGIQXRX-ZDUSSCGKSA-N 0 0 326.227 3.600 50 10 EHCARN CC(C)n1ncc2cc(NC(=O)/C=C/c3ccc(N(C)C)cc3)cnc21 ZINC000021901428 212261377 /nfs/dbraw/zinc/26/13/77/212261377.db2.gz BWLXDFAHDFAYFF-JXMROGBWSA-N 0 0 349.438 3.730 50 10 EHCARN Cc1cccc(NC2=NC(=O)C(=Cc3cccc([N+](=O)[O-])c3)S2)c1 ZINC000013141394 211528425 /nfs/dbraw/zinc/52/84/25/211528425.db2.gz NTSNKNOBJQCPBL-XNTDXEJSSA-N 0 0 339.376 3.986 50 10 EHCARN FC(F)(F)c1ccccc1-c1ccc(C(=S)N2CCOCC2)o1 ZINC000009305564 211062777 /nfs/dbraw/zinc/06/27/77/211062777.db2.gz FVEZQZCVIZRZQV-UHFFFAOYSA-N 0 0 341.354 3.973 50 10 EHCARN COC(=O)CCCCCN1C(=O)/C(=C\c2ccccc2)SC1=S ZINC000005214255 210415579 /nfs/dbraw/zinc/41/55/79/210415579.db2.gz RCTZSQOCSPBCCT-WYMLVPIESA-N 0 0 349.477 3.621 50 10 EHCARN Cc1cc2oc(=O)c3c(c2c([O-])c1C[NH+]1CCCCC1)CCCC3 ZINC000004995482 210353783 /nfs/dbraw/zinc/35/37/83/210353783.db2.gz GANBHWZYQFKGOE-UHFFFAOYSA-N 0 0 327.424 3.672 50 10 EHCARN COC(=O)c1ccc(NN=Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000004952272 210337096 /nfs/dbraw/zinc/33/70/96/210337096.db2.gz VBULSGSPONIPLW-UHFFFAOYSA-N 0 0 330.300 3.501 50 10 EHCARN COc1ccccc1-n1c(C)cc(C=C2SC(=S)NC2=O)c1C ZINC000004845201 210298256 /nfs/dbraw/zinc/29/82/56/210298256.db2.gz CGBDNYIADZTMKV-DHDCSXOGSA-N 0 0 344.461 3.592 50 10 EHCARN COc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000015634263 536695642 /nfs/dbraw/zinc/69/56/42/536695642.db2.gz XXYVAVHXNOIGAK-UHFFFAOYSA-N 0 0 338.451 3.958 50 10 EHCARN CC(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1 ZINC000000134757 563240016 /nfs/dbraw/zinc/24/00/16/563240016.db2.gz OCMZYBIJNBPHSL-UHFFFAOYSA-N 0 0 325.817 3.970 50 10 EHCARN Cc1ccc([C@@H]2C[C@@H](c3ccc(N(C)C)cc3)n3ncnc3N2)cc1 ZINC000000407808 563307379 /nfs/dbraw/zinc/30/73/79/563307379.db2.gz RAGXUGCDQGRNGQ-OALUTQOASA-N 0 0 333.439 3.799 50 10 EHCARN O=Cc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000001001115 563367775 /nfs/dbraw/zinc/36/77/75/563367775.db2.gz QKAPYFWWPXZVLS-XNTDXEJSSA-N 0 0 325.414 3.905 50 10 EHCARN O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1ccc(O)cc1 ZINC000001209504 563379107 /nfs/dbraw/zinc/37/91/07/563379107.db2.gz TXHZPLLYZRAESA-ZROIWOOFSA-N 0 0 331.393 3.937 50 10 EHCARN C[C@H]1CCC[N@H+](Cc2c([O-])ccc3c4c(c(=O)oc32)CCCC4)C1 ZINC000002549595 563440535 /nfs/dbraw/zinc/44/05/35/563440535.db2.gz JZGHSGDMSTWICS-ZDUSSCGKSA-N 0 0 327.424 3.609 50 10 EHCARN CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000013130661 563689967 /nfs/dbraw/zinc/68/99/67/563689967.db2.gz NYSNWKVZPJLWBH-WQRHYEAKSA-N 0 0 346.365 3.568 50 10 EHCARN COC(=O)[C@@H](c1ccc(N)cc1)c1ccc(Oc2ccc(N)cc2)cc1 ZINC000096675756 563962209 /nfs/dbraw/zinc/96/22/09/563962209.db2.gz IFHKTDMRNGMZDT-FQEVSTJZSA-N 0 0 348.402 3.948 50 10 EHCARN CN(C)c1ccc(CN(C)C(=O)c2cccc(Br)c2)cc1 ZINC000018150453 564018429 /nfs/dbraw/zinc/01/84/29/564018429.db2.gz BKHUIDDFIXQKGC-UHFFFAOYSA-N 0 0 347.256 3.787 50 10 EHCARN CCc1ccc(N2N=C(C)/C(=C\c3ccc(O)c(OC)c3)C2=O)cc1 ZINC000005686781 564018732 /nfs/dbraw/zinc/01/87/32/564018732.db2.gz UXEOTDUAAYXPMK-GZTJUZNOSA-N 0 0 336.391 3.769 50 10 EHCARN CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc21 ZINC000000245333 564023398 /nfs/dbraw/zinc/02/33/98/564023398.db2.gz DGJBDLGVFUCLON-LJQANCHMSA-N 0 0 336.347 3.679 50 10 EHCARN Cc1cc(C(=O)Nc2cccc(CO)c2)c(C)n1-c1ccccc1F ZINC000120617636 564026636 /nfs/dbraw/zinc/02/66/36/564026636.db2.gz OZRLMWPFFYLJES-UHFFFAOYSA-N 0 0 338.382 3.978 50 10 EHCARN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc2ncccc2c1 ZINC000044827006 564027210 /nfs/dbraw/zinc/02/72/10/564027210.db2.gz IADPUMGEBXBGOU-AQTBWJFISA-N 0 0 328.375 3.953 50 10 EHCARN COc1ccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1 ZINC000001416234 564065985 /nfs/dbraw/zinc/06/59/85/564065985.db2.gz YDKYGSILBCQCIN-GDNBJRDFSA-N 0 0 343.429 3.807 50 10 EHCARN CCOc1cc(-c2ccc(O)c(O)c2)cc(=O)c2c(C)oc(C)c21 ZINC000000111962 564090438 /nfs/dbraw/zinc/09/04/38/564090438.db2.gz XNTCTTULQBTOJK-UHFFFAOYSA-N 0 0 326.348 3.887 50 10 biogenic EHCARN O=C1c2ccccc2N[C@@H](c2cccc(O)c2O)N1Cc1ccccc1 ZINC000007884111 564124338 /nfs/dbraw/zinc/12/43/38/564124338.db2.gz CYFZRPIWYOKQLJ-HXUWFJFHSA-N 0 0 346.386 3.865 50 10 EHCARN CCN1C(=O)/C(=C2\C=Cc3cc(OC)ccc3N2CC)SC1=S ZINC000057837546 564156050 /nfs/dbraw/zinc/15/60/50/564156050.db2.gz POFNDOYRZTUNPP-PFONDFGASA-N 0 0 346.477 3.640 50 10 EHCARN CSc1nnc(CN(Cc2ccccc2O)C2CCCC2)s1 ZINC000069707592 564171710 /nfs/dbraw/zinc/17/17/10/564171710.db2.gz MJLHUFOCTSJGSM-UHFFFAOYSA-N 0 0 335.498 3.910 50 10 EHCARN Cc1cc(NC(=O)[C@@H](Sc2nccs2)c2ccccc2)no1 ZINC000052914185 214155387 /nfs/dbraw/zinc/15/53/87/214155387.db2.gz LDQZGBWXNULNCM-ZDUSSCGKSA-N 0 0 331.422 3.912 50 10 EHCARN O=C1N=C(Nc2ccccc2)SC1=Cc1cccc2c1OCCO2 ZINC000054802106 214255580 /nfs/dbraw/zinc/25/55/80/214255580.db2.gz CBHQYRXMFRANGQ-RVDMUPIBSA-N 0 0 338.388 3.540 50 10 EHCARN CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2Cl)SC1=S ZINC000004579206 210225813 /nfs/dbraw/zinc/22/58/13/210225813.db2.gz WUHWXGWTLMWBDW-KPKJPENVSA-N 0 0 326.874 3.627 50 10 EHCARN O=C(Cc1ccccc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000004151785 210133401 /nfs/dbraw/zinc/13/34/01/210133401.db2.gz YAYRVLMZUHRIGP-UHFFFAOYSA-N 0 0 341.366 3.643 50 10 EHCARN O=C(Cc1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000003898688 210087161 /nfs/dbraw/zinc/08/71/61/210087161.db2.gz OUIBMHAGJRLWNT-UHFFFAOYSA-N 0 0 341.366 3.643 50 10 EHCARN COc1c2ccoc2cc2oc(=O)c3c4cc(O)c(O)cc4oc3c21 ZINC000068741505 215330359 /nfs/dbraw/zinc/33/03/59/215330359.db2.gz KMNSRZSFIOXJDC-UHFFFAOYSA-N 0 0 338.271 3.858 50 10 EHCARN COc1ccc(NN=C2C=CC(=O)C(CN3CCOCC3)=C2)cc1 ZINC000020413612 212126810 /nfs/dbraw/zinc/12/68/10/212126810.db2.gz XSTLIZJUWOLKTH-FMQUCBEESA-N 0 0 327.384 3.648 50 10 EHCARN Cc1cc(C(=O)CN2C[C@@H](C)O[C@@H](C)C2)c(C)n1-c1ccc(C)cc1 ZINC000012377637 211360806 /nfs/dbraw/zinc/36/08/06/211360806.db2.gz HBURWRQHHRVFDR-CALCHBBNSA-N 0 0 340.467 3.694 50 10 EHCARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000012417751 211373941 /nfs/dbraw/zinc/37/39/41/211373941.db2.gz OIGBFUYSVIRKGB-BFUOFWGJSA-N 0 0 347.414 3.771 50 10 EHCARN CN(C)c1ccc(CNC(=O)Nc2nc3ccccc3s2)cc1 ZINC000009979106 211137766 /nfs/dbraw/zinc/13/77/66/211137766.db2.gz VZTHKXZJTUECNC-UHFFFAOYSA-N 0 0 326.425 3.684 50 10 EHCARN COc1cccc([C@H]2Nc3ccccc3C(=O)N2CC(C)C)c1O ZINC000009747637 211121458 /nfs/dbraw/zinc/12/14/58/211121458.db2.gz QFBVLQAQHJNQGD-SFHVURJKSA-N 0 0 326.396 3.623 50 10 EHCARN O=C1NC(=Cc2cccn2-c2ccccc2F)C(=O)N1c1ccccc1 ZINC000009015738 211031289 /nfs/dbraw/zinc/03/12/89/211031289.db2.gz UBUIGERGVJBIJL-GHRIWEEISA-N 0 0 347.349 3.918 50 10 EHCARN Cc1c([O-])c(C[N@H+]2CCC[C@H](C)C2)cc2c3c(c(=O)oc12)CCC3 ZINC000005025275 210364816 /nfs/dbraw/zinc/36/48/16/210364816.db2.gz QQUSMDJNSUOXTP-LBPRGKRZSA-N 0 0 327.424 3.528 50 10 EHCARN COc1ccc(Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000004774783 210274847 /nfs/dbraw/zinc/27/48/47/210274847.db2.gz MMFCPKYGMSQKCQ-UHFFFAOYSA-N 0 0 344.370 3.796 50 10 EHCARN O=C(CCc1ccsc1)NCc1ccc(N2CCSCC2)cc1 ZINC000054035414 132189123 /nfs/dbraw/zinc/18/91/23/132189123.db2.gz FTLXGJAXHPWQRB-UHFFFAOYSA-N 0 0 346.521 3.550 50 10 EHCARN COc1ccc(S(=O)(=O)Nc2cc(C)c(O)cc2C(C)C)cc1 ZINC000000092476 563223121 /nfs/dbraw/zinc/22/31/21/563223121.db2.gz OSQDODPYEYNYBE-UHFFFAOYSA-N 0 0 335.425 3.633 50 10 EHCARN CCOC(=O)c1cc(C)n(-c2ccc(-c3csnn3)cc2)c1C ZINC000000114625 563231420 /nfs/dbraw/zinc/23/14/20/563231420.db2.gz FCQSCNUAMXSSJR-UHFFFAOYSA-N 0 0 327.409 3.789 50 10 EHCARN CN(C)c1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000000202370 563259118 /nfs/dbraw/zinc/25/91/18/563259118.db2.gz KHTGTFULQHGQGG-MHWRWJLKSA-N 0 0 341.798 3.503 50 10 EHCARN CN(C)c1ccc([C@H]2CC(c3ccco3)=NN2C(=O)c2ccco2)cc1 ZINC000058196768 563939548 /nfs/dbraw/zinc/93/95/48/563939548.db2.gz JFIMFBFEZAVQGL-QGZVFWFLSA-N 0 0 349.390 3.930 50 10 EHCARN CC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1ccc(Cl)c(F)c1 ZINC000097105088 563967657 /nfs/dbraw/zinc/96/76/57/563967657.db2.gz YOQMERRRKTWWDU-MRXNPFEDSA-N 0 0 332.762 3.882 50 10 EHCARN C[C@@H]1CCC[C@@H](C)[NH+]1Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3 ZINC000000122744 563986851 /nfs/dbraw/zinc/98/68/51/563986851.db2.gz BXBZFKOKZVDMTA-CHWSQXEVSA-N 0 0 327.424 3.750 50 10 EHCARN C[C@H]1CCC[C@H](C)[NH+]1Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3 ZINC000000122747 563986857 /nfs/dbraw/zinc/98/68/57/563986857.db2.gz BXBZFKOKZVDMTA-STQMWFEESA-N 0 0 327.424 3.750 50 10 EHCARN COC(=O)c1sc2nc(-c3ccco3)cc(C(F)(F)F)c2c1N ZINC000000205398 563998003 /nfs/dbraw/zinc/99/80/03/563998003.db2.gz NAZFGKQJEWMYFX-UHFFFAOYSA-N 0 0 342.298 3.944 50 10 EHCARN Cc1ccccc1NC1=NC(=O)C(=Cc2cccc([N+](=O)[O-])c2)S1 ZINC000007165836 564006783 /nfs/dbraw/zinc/00/67/83/564006783.db2.gz KOAYHYXHEAGQRK-XNTDXEJSSA-N 0 0 339.376 3.986 50 10 EHCARN CN(Cc1ccccc1O)C(=O)c1ccccc1NC(=O)C(C)(C)C ZINC000084169044 564067093 /nfs/dbraw/zinc/06/70/93/564067093.db2.gz RZAOYFWXZHRUHZ-UHFFFAOYSA-N 0 0 340.423 3.649 50 10 EHCARN Cn1c(CNc2ccccc2C(=O)c2ccccc2)nnc1C1CC1 ZINC000192587172 564092096 /nfs/dbraw/zinc/09/20/96/564092096.db2.gz UBSDUKPOWFJHOY-UHFFFAOYSA-N 0 0 332.407 3.536 50 10 EHCARN CCCCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=S ZINC000006264160 564117372 /nfs/dbraw/zinc/11/73/72/564117372.db2.gz VQGHRWDNIWMIPB-GXDHUFHOSA-N 0 0 337.466 3.792 50 10 EHCARN O=C1c2ccccc2N[C@@H](c2ccc(O)c(O)c2)N1Cc1ccccc1 ZINC000007884125 564124341 /nfs/dbraw/zinc/12/43/41/564124341.db2.gz CQHJPMKTUVHNFL-HXUWFJFHSA-N 0 0 346.386 3.865 50 10 EHCARN Cc1cccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1C ZINC000071797624 564175414 /nfs/dbraw/zinc/17/54/14/564175414.db2.gz BOOWOCRSAFFPMY-GOSISDBHSA-N 0 0 339.435 3.830 50 10 EHCARN COc1cccc(OC)c1C=C1SC(NC2CCCCC2)=NC1=O ZINC000095435756 1033756338 /nfs/dbraw/zinc/75/63/38/1033756338.db2.gz LHOCVJLTTJZFBE-LFIBNONCSA-N 0 0 346.452 3.596 50 10 EHCARN CCOC(=O)/C(=C\c1cnccc1C)c1nccn1Cc1ccccc1 ZINC000585079753 1136964167 /nfs/dbraw/zinc/96/41/67/1136964167.db2.gz HBDFUDJLPHTPDB-UYRXBGFRSA-N 0 0 347.418 3.739 50 10 EHCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(F)cc3)C2=N)S1 ZINC000004725420 210261682 /nfs/dbraw/zinc/26/16/82/210261682.db2.gz FFEDSUFXJJWQBB-LITBSJMGSA-N 0 0 330.388 3.635 50 10 EHCARN Cc1cc(C(=O)C(=O)N(C)C)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000003131352 209967580 /nfs/dbraw/zinc/96/75/80/209967580.db2.gz AZZRTBOQHDTVSK-UHFFFAOYSA-N 0 0 339.222 3.672 50 10 EHCARN CN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S ZINC000001087652 209710637 /nfs/dbraw/zinc/71/06/37/209710637.db2.gz RFCSAALYIPRRKE-JYRVWZFOSA-N 0 0 346.389 3.686 50 10 EHCARN O=C1N=C(N2CCc3ccccc3C2)S/C1=C\c1ccc(F)cc1 ZINC000036621538 213105381 /nfs/dbraw/zinc/10/53/81/213105381.db2.gz ZTARAXXAOGIPIU-BOPFTXTBSA-N 0 0 338.407 3.854 50 10 EHCARN C[C@@H](NC(=O)c1cccc(CCC(C)(C)O)c1)c1ccccc1O ZINC000072432566 216226607 /nfs/dbraw/zinc/22/66/07/216226607.db2.gz ZCMFBUKDFVCKKZ-CQSZACIVSA-N 0 0 327.424 3.587 50 10 EHCARN COc1ccc(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(OC)c1 ZINC000013787599 211639197 /nfs/dbraw/zinc/63/91/97/211639197.db2.gz OMAXVODQKXOKRW-DHDCSXOGSA-N 0 0 349.477 3.848 50 10 EHCARN N=C1/C(=C/c2cccs2)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000011536112 211221739 /nfs/dbraw/zinc/22/17/39/211221739.db2.gz WEOAKHRQWOSDMU-NAXSCAEVSA-N 0 0 344.465 3.948 50 10 EHCARN CC[C@H](C)NC(=O)NCc1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000009228683 211054438 /nfs/dbraw/zinc/05/44/38/211054438.db2.gz SMHGYLGWBCAYDE-ZDUSSCGKSA-N 0 0 329.444 3.700 50 10 EHCARN Cc1ccc(S[C@H](C)C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000008172001 210905912 /nfs/dbraw/zinc/90/59/12/210905912.db2.gz KQJMZLPNCSJYDG-OAHLLOKOSA-N 0 0 328.481 3.858 50 10 EHCARN CC(=O)c1cccc(N2C(=O)C(=Cc3ccco3)SC2=S)c1 ZINC000005371555 210451075 /nfs/dbraw/zinc/45/10/75/210451075.db2.gz RNMJETKTKLOIIB-NTEUORMPSA-N 0 0 329.402 3.888 50 10 EHCARN COc1ccccc1N[C@@H]1SC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000005013299 210360128 /nfs/dbraw/zinc/36/01/28/210360128.db2.gz BMOCOBUOZULINC-MRXNPFEDSA-N 0 0 342.420 3.950 50 10 EHCARN COc1ccc(OC)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c1 ZINC000004894618 210314168 /nfs/dbraw/zinc/31/41/68/210314168.db2.gz HIWIQHPIOKFNBO-ZSOIEALJSA-N 0 0 337.466 3.561 50 10 EHCARN OCC1CCN(c2ccc(CNc3nc4ccccc4o3)cc2)CC1 ZINC000052446656 132183976 /nfs/dbraw/zinc/18/39/76/132183976.db2.gz LVRJPWFZNDRTNQ-UHFFFAOYSA-N 0 0 337.423 3.649 50 10 EHCARN Cc1nc(/C=C/C(=O)NCc2ccc(N3CCCCC3)cc2)cs1 ZINC000058417434 132804019 /nfs/dbraw/zinc/80/40/19/132804019.db2.gz CKAYEXSAGHSJOI-JXMROGBWSA-N 0 0 341.480 3.771 50 10 EHCARN CCOc1ccc(N2COc3ccc4c(C)cc(=O)oc4c3C2)cc1 ZINC000000140979 135640821 /nfs/dbraw/zinc/64/08/21/135640821.db2.gz WCBGKMVBDOWWOG-UHFFFAOYSA-N 0 0 337.375 3.857 50 10 biogenic EHCARN COc1ccc(-n2c(C)cc(C(=O)CN3CCCCC3)c2C)cc1 ZINC000000089251 563221801 /nfs/dbraw/zinc/22/18/01/563221801.db2.gz VBOQOZOWVULYSK-UHFFFAOYSA-N 0 0 326.440 3.771 50 10 EHCARN Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(C)c2C)cc1 ZINC000000361236 563293788 /nfs/dbraw/zinc/29/37/88/563293788.db2.gz DGZJHWPCRFNLSW-UHFFFAOYSA-N 0 0 325.817 3.772 50 10 EHCARN Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000000447626 563317949 /nfs/dbraw/zinc/31/79/49/563317949.db2.gz HZLXRPRQKHVGJG-UHFFFAOYSA-N 0 0 334.872 3.755 50 10 EHCARN Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1C1CCCCC1 ZINC000001270509 563382062 /nfs/dbraw/zinc/38/20/62/563382062.db2.gz YBBPQSODVBZFET-XNTDXEJSSA-N 0 0 345.468 3.707 50 10 EHCARN CN1C(=O)/C(=C\C=C\c2ccc(Br)cc2)SC1=S ZINC000015011507 563771925 /nfs/dbraw/zinc/77/19/25/563771925.db2.gz JBJVRZXZDBYWNX-TTWWKFCBSA-N 0 0 340.267 3.836 50 10 EHCARN COc1ccc(/C=C2\SC(c3ccccc3)=NC2=O)cc1OC ZINC000015016641 563772842 /nfs/dbraw/zinc/77/28/42/563772842.db2.gz VQXWBQDOHGOIKZ-WJDWOHSUSA-N 0 0 325.389 3.765 50 10 EHCARN Cc1cc(C(=O)NC2CCCC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000028273874 563902040 /nfs/dbraw/zinc/90/20/40/563902040.db2.gz MUJKGYZGFNPMNT-UHFFFAOYSA-N 0 0 340.423 3.538 50 10 EHCARN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Nc1cn[nH]c1 ZINC000058202413 563939733 /nfs/dbraw/zinc/93/97/33/563939733.db2.gz WILWOTSLSNJPNK-AWEZNQCLSA-N 0 0 336.395 3.911 50 10 EHCARN Cc1cccc(Cn2cccc2/C=C2/C(=N)N3C=CSC3=NC2=O)c1 ZINC000033157338 563963990 /nfs/dbraw/zinc/96/39/90/563963990.db2.gz ZWKHRFZNQGIEJP-VXBULBDJSA-N 0 0 348.431 3.622 50 10 EHCARN CN(C)c1ccc([C@@H]2C[C@H](c3cccs3)Nc3ncnn32)cc1 ZINC000000080800 563974788 /nfs/dbraw/zinc/97/47/88/563974788.db2.gz OLEVJJXTKBJNDN-CABCVRRESA-N 0 0 325.441 3.552 50 10 EHCARN CN(C)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2C)CCCC4)cc1 ZINC000000213268 563999465 /nfs/dbraw/zinc/99/94/65/563999465.db2.gz JUFQXVAXNBVLSZ-QGZVFWFLSA-N 0 0 341.480 3.889 50 10 EHCARN COC(=O)CCNC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C ZINC000048341287 564031248 /nfs/dbraw/zinc/03/12/48/564031248.db2.gz WWAVZBLFLHNPMG-UHFFFAOYSA-N 0 0 342.439 3.510 50 10 EHCARN COc1ccccc1N1C(=O)/C(=C\c2cccc(O)c2)SC1=S ZINC000006007471 564057576 /nfs/dbraw/zinc/05/75/76/564057576.db2.gz OYMHYMSUOIKKGR-XNTDXEJSSA-N 0 0 343.429 3.807 50 10 EHCARN Cc1ccsc1CN(CC(C)C)C(=O)NCc1ccc(O)cc1O ZINC000534577687 564061124 /nfs/dbraw/zinc/06/11/24/564061124.db2.gz ADAQDUPFPIGSBD-UHFFFAOYSA-N 0 0 348.468 3.836 50 10 EHCARN O=C1NC(=S)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 ZINC000001452085 564072860 /nfs/dbraw/zinc/07/28/60/564072860.db2.gz NYGLSIBLLIHMHR-KPKJPENVSA-N 0 0 332.362 3.980 50 10 EHCARN O=C(c1cccs1)N1N=C(c2ccncc2)C[C@@H]1c1ccccc1O ZINC000006227231 564083100 /nfs/dbraw/zinc/08/31/00/564083100.db2.gz YFAKTJFYONNTDS-MRXNPFEDSA-N 0 0 349.415 3.840 50 10 EHCARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(Cl)c(N)c1 ZINC000006438797 564086796 /nfs/dbraw/zinc/08/67/96/564086796.db2.gz ZQUBQHPWJMBVGU-XNTDXEJSSA-N 0 0 340.814 3.949 50 10 EHCARN COc1ccc(-c2cc(=O)oc3c(C)c([O-])c(C[NH+](C)C)cc23)cc1 ZINC000000489632 564090564 /nfs/dbraw/zinc/09/05/64/564090564.db2.gz CJLPBRABBONKIB-UHFFFAOYSA-N 0 0 339.391 3.544 50 10 biogenic EHCARN O=C1NN=C(c2ccccc2)C1=CNc1cccc(C(F)(F)F)c1 ZINC000013285702 564136156 /nfs/dbraw/zinc/13/61/56/564136156.db2.gz DXKUHAOGVKMMMH-GXDHUFHOSA-N 0 0 331.297 3.535 50 10 EHCARN Cc1cc(C)n(CCOC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000095954166 564142453 /nfs/dbraw/zinc/14/24/53/564142453.db2.gz BCEFKGAVCYDHKJ-UHFFFAOYSA-N 0 0 337.423 3.764 50 10 EHCARN O=C(c1cccs1)N1N=C(c2ccccc2O)C[C@@H]1c1ccncc1 ZINC000097165249 564149505 /nfs/dbraw/zinc/14/95/05/564149505.db2.gz LYYWUXBMYLAADJ-MRXNPFEDSA-N 0 0 349.415 3.840 50 10 EHCARN CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@H]2c2cccc(F)c2)cc1 ZINC000067140909 564165178 /nfs/dbraw/zinc/16/51/78/564165178.db2.gz VCMSEBFJEXFQAK-RBUKOAKNSA-N 0 0 326.415 3.654 50 10 EHCARN NC(=O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000004725824 210261949 /nfs/dbraw/zinc/26/19/49/210261949.db2.gz ULMBGXXVZASLBH-JJRVBVJISA-N 0 0 335.363 3.520 50 10 EHCARN CCCCN1c2ccccc2[C@@]2(NN=C(c3ccccc3)S2)C1=O ZINC000004689932 210249484 /nfs/dbraw/zinc/24/94/84/210249484.db2.gz UZWNINAIFFTNSD-IBGZPJMESA-N 0 0 337.448 3.684 50 10 EHCARN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Nc1cn[nH]c1 ZINC000058202414 214502470 /nfs/dbraw/zinc/50/24/70/214502470.db2.gz WILWOTSLSNJPNK-CQSZACIVSA-N 0 0 336.395 3.911 50 10 EHCARN CCCCC1(C)OC(=O)C(=Cc2ccc(N3CCCC3)cc2)C(=O)O1 ZINC000003767734 210074913 /nfs/dbraw/zinc/07/49/13/210074913.db2.gz OVLBKXPZCPOGGO-UHFFFAOYSA-N 0 0 343.423 3.677 50 10 EHCARN O=C1N=C(NC2CCCC2)SC1=Cc1ccccc1OC(F)F ZINC000033576621 212955557 /nfs/dbraw/zinc/95/55/57/212955557.db2.gz IJYBPKPDKVDEPL-UKTHLTGXSA-N 0 0 338.379 3.791 50 10 EHCARN O=c1cc(-c2ccccc2)c2cc(Cl)c(OC[C@H]3CO3)cc2o1 ZINC000030822701 212711235 /nfs/dbraw/zinc/71/12/35/212711235.db2.gz YYATWTQAWFFZNT-GFCCVEGCSA-N 0 0 328.751 3.891 50 10 EHCARN COc1ccc(Cc2nc(-c3ccc(O)c(O)c3)cs2)cc1OC ZINC000023624880 212386356 /nfs/dbraw/zinc/38/63/56/212386356.db2.gz KBQOHZSCZYQPGO-UHFFFAOYSA-N 0 0 343.404 3.829 50 10 EHCARN Cc1ccccc1/C=C1/SC(=S)N(CN2CCCCC2)C1=O ZINC000023279548 212366264 /nfs/dbraw/zinc/36/62/64/212366264.db2.gz NOQJFPJYFZPVBF-RVDMUPIBSA-N 0 0 332.494 3.640 50 10 EHCARN CC1CC[NH+](Cc2c([O-])ccc(C(=O)Cc3ccccc3)c2O)CC1 ZINC000023135354 212353592 /nfs/dbraw/zinc/35/35/92/212353592.db2.gz VXELKIKTXIAGJX-UHFFFAOYSA-N 0 0 339.435 3.755 50 10 biogenic EHCARN Cc1cc([C@@H]2CCCN2Cc2cc(Br)ccc2O)no1 ZINC000021720185 212244988 /nfs/dbraw/zinc/24/49/88/212244988.db2.gz YBPOWRRGIPXFIK-AWEZNQCLSA-N 0 0 337.217 3.788 50 10 EHCARN Cc1cc(CN2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000020528638 212143382 /nfs/dbraw/zinc/14/33/82/212143382.db2.gz IPTKKFPKSJSSRB-UHFFFAOYSA-N 0 0 338.373 3.945 50 10 EHCARN O=C1c2ccccc2C(=O)C1(NCc1ccccc1)c1ccccc1 ZINC000019873833 212078196 /nfs/dbraw/zinc/07/81/96/212078196.db2.gz RBWBXDYSCHQCKQ-UHFFFAOYSA-N 0 0 327.383 3.751 50 10 EHCARN CC[NH+](CC)Cc1c([O-])c(Cl)cc2c3c(c(=O)oc21)CCCC3 ZINC000019789537 212067014 /nfs/dbraw/zinc/06/70/14/212067014.db2.gz NQCHMHDBNXMFRY-UHFFFAOYSA-N 0 0 335.831 3.873 50 10 EHCARN COc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000000386876 563303170 /nfs/dbraw/zinc/30/31/70/563303170.db2.gz MDFCLUQXFTURQW-UHFFFAOYSA-N 0 0 345.830 3.703 50 10 EHCARN C[C@@H]1CCC[N@H+](Cc2c([O-])ccc3c4c(c(=O)oc32)CCCC4)C1 ZINC000002549597 563440519 /nfs/dbraw/zinc/44/05/19/563440519.db2.gz JZGHSGDMSTWICS-CYBMUJFWSA-N 0 0 327.424 3.609 50 10 EHCARN CCO[C@H](C)c1noc(CSc2ncc(-c3ccccc3)n2C)n1 ZINC000071914709 563614208 /nfs/dbraw/zinc/61/42/08/563614208.db2.gz DUZVTWRMLAEVJV-GFCCVEGCSA-N 0 0 344.440 3.860 50 10 EHCARN O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000013739202 563720031 /nfs/dbraw/zinc/72/00/31/563720031.db2.gz IEVDSMZLFHKILP-PFVGPUFPSA-N 0 0 331.462 3.623 50 10 EHCARN c1cc2ncnc(N3CC=C(c4c[nH]c5ncccc45)CC3)c2s1 ZINC000025151291 563881554 /nfs/dbraw/zinc/88/15/54/563881554.db2.gz SLKHLKLPNHHXRZ-UHFFFAOYSA-N 0 0 333.420 3.861 50 10 EHCARN CO[C@@H](C)C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000057995883 563936403 /nfs/dbraw/zinc/93/64/03/563936403.db2.gz BTSRRYPCNHWVPH-VBKZILBWSA-N 0 0 335.403 3.786 50 10 EHCARN C[C@H](c1ccco1)N(Cc1cc(=O)oc2cc(O)c(O)cc12)C1CC1 ZINC000097135212 563968136 /nfs/dbraw/zinc/96/81/36/563968136.db2.gz STJQZXVKBGKWHU-LLVKDONJSA-N 0 0 341.363 3.523 50 10 EHCARN Nc1ccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 ZINC000170676178 564121409 /nfs/dbraw/zinc/12/14/09/564121409.db2.gz ZOJUINHKBRZABH-UHFFFAOYSA-N 0 0 348.284 3.590 50 10 EHCARN CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1c[nH]c2ccccc12 ZINC000002405493 564134622 /nfs/dbraw/zinc/13/46/22/564134622.db2.gz WCUQBPHRWXOCRN-LEQVUBRHSA-N 0 0 343.430 3.805 50 10 EHCARN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(OC(F)F)cc1 ZINC000096401279 564147079 /nfs/dbraw/zinc/14/70/79/564147079.db2.gz LEKMUGJMDWUNAS-JLHYYAGUSA-N 0 0 338.379 3.744 50 10 EHCARN CN(C)c1ccc(CNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000008170807 564163305 /nfs/dbraw/zinc/16/33/05/564163305.db2.gz KSUJSOIFNXRLAJ-UHFFFAOYSA-N 0 0 337.250 3.918 50 10 EHCARN Cc1nc2ncnc(N3CC=C(c4c[nH]c5cccc(C)c45)CC3)c2[nH]1 ZINC000041123952 564173383 /nfs/dbraw/zinc/17/33/83/564173383.db2.gz CAPHHOWEEOGBQG-UHFFFAOYSA-N 0 0 344.422 3.745 50 10 EHCARN O=C1Nc2cc(Cl)ccc2/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000003215734 1138082055 /nfs/dbraw/zinc/08/20/55/1138082055.db2.gz GDXAOUQRTVSMTE-GZTJUZNOSA-N 0 0 340.810 3.669 50 10 EHCARN CCc1cc2c(cc1OCC(=O)OC)oc(=O)cc2-c1ccccc1 ZINC000004387701 210186146 /nfs/dbraw/zinc/18/61/46/210186146.db2.gz SNQUBCWRSBZCMO-UHFFFAOYSA-N 0 0 338.359 3.574 50 10 EHCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NC(=O)Nc1ccccc1 ZINC000102522397 219209355 /nfs/dbraw/zinc/20/93/55/219209355.db2.gz VMJCQUDQHNDTJG-PDGQHHTCSA-N 0 0 348.406 3.732 50 10 EHCARN Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccccc1 ZINC000003413012 210031598 /nfs/dbraw/zinc/03/15/98/210031598.db2.gz QTXDBNDYSAPXLS-UHFFFAOYSA-N 0 0 329.450 3.921 50 10 EHCARN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1O ZINC000001774386 209791316 /nfs/dbraw/zinc/79/13/16/209791316.db2.gz JXRWQBVSWWYLGD-XNTDXEJSSA-N 0 0 343.429 3.807 50 10 EHCARN COc1ccc(N2CCC(NC(=O)Nc3ccccc3C)CC2)cc1 ZINC000069557365 215469060 /nfs/dbraw/zinc/46/90/60/215469060.db2.gz QQNJWLOUZLCGAH-UHFFFAOYSA-N 0 0 339.439 3.794 50 10 EHCARN Cc1ccc([C@@H]2CC(c3cc(Br)ccc3O)=NN2)cc1 ZINC000000462829 209617026 /nfs/dbraw/zinc/61/70/26/209617026.db2.gz UBAVJSAWIHFCLP-AWEZNQCLSA-N 0 0 331.213 3.902 50 10 EHCARN Cc1cc([C@H]2CCCN2Cc2cc(Br)ccc2O)on1 ZINC000035511238 213035720 /nfs/dbraw/zinc/03/57/20/213035720.db2.gz FWHJWONUGMUFIO-CYBMUJFWSA-N 0 0 337.217 3.788 50 10 EHCARN COc1ccc(-c2c(C)oc3c(ccc([O-])c3C[NH+](C)C)c2=O)cc1 ZINC000020411616 212126594 /nfs/dbraw/zinc/12/65/94/212126594.db2.gz XMPBIJOGTMRQAF-UHFFFAOYSA-N 0 0 339.391 3.544 50 10 biogenic EHCARN Oc1ccccc1C1=N[C@H](c2ccccn2)N[C@H](c2ccccc2O)C1 ZINC000080324873 217298291 /nfs/dbraw/zinc/29/82/91/217298291.db2.gz OFWAEIMXKGFGCG-LAUBAEHRSA-N 0 0 345.402 3.715 50 10 EHCARN COc1ccc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)cc1OC ZINC000012469827 211390013 /nfs/dbraw/zinc/39/00/13/211390013.db2.gz YAFGLTLZXBUTKT-NTEUORMPSA-N 0 0 326.323 3.824 50 10 EHCARN CC(=O)Nc1ccc(C=C2SC(NC3CCCCC3)=NC2=O)cc1 ZINC000007209178 210769303 /nfs/dbraw/zinc/76/93/03/210769303.db2.gz MFJNKAQZLOYWMF-WJDWOHSUSA-N 0 0 343.452 3.538 50 10 EHCARN Cc1cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc(C)c1O ZINC000007166173 210764656 /nfs/dbraw/zinc/76/46/56/210764656.db2.gz ACPHKDOASVMRJV-ZSOIEALJSA-N 0 0 342.445 3.810 50 10 EHCARN CC(C)SC1=NSC2=NC(=O)/C(=C\c3ccc(F)cc3)C(=N)N12 ZINC000004916945 210323068 /nfs/dbraw/zinc/32/30/68/210323068.db2.gz WYAORXMSKWZVSA-XZPRFMIFSA-N 0 0 348.428 3.544 50 10 EHCARN CCOc1cc(N2CCOCC2)c(OCC)cc1-n1c(C)ccc1C ZINC000000128595 563237647 /nfs/dbraw/zinc/23/76/47/563237647.db2.gz LTEIUGDHTZMVCU-UHFFFAOYSA-N 0 0 344.455 3.728 50 10 EHCARN COc1ccc(N2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)cc1 ZINC000004091915 563494208 /nfs/dbraw/zinc/49/42/08/563494208.db2.gz MNLYCBLRWLLRDA-UHFFFAOYSA-N 0 0 347.802 3.583 50 10 EHCARN N=C1/C(=C/c2ccccc2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000013785488 563723279 /nfs/dbraw/zinc/72/32/79/563723279.db2.gz KOAGZKIYOPDLTC-ZRSPDKKLSA-N 0 0 331.400 3.991 50 10 EHCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Br)o1 ZINC000014011434 563735255 /nfs/dbraw/zinc/73/52/55/563735255.db2.gz JBYHAJNQDWXAOR-LCYFTJDESA-N 0 0 331.169 3.848 50 10 EHCARN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(Cl)cc1O ZINC000015016441 563772690 /nfs/dbraw/zinc/77/26/90/563772690.db2.gz HBFIBGVUJXWCIT-ZSOIEALJSA-N 0 0 342.782 3.860 50 10 EHCARN Cc1cc(C(=O)NC(C)C)c(C)n1-c1ccc(Br)cc1 ZINC000032906284 563792663 /nfs/dbraw/zinc/79/26/63/563792663.db2.gz DGIDSGJVCHGOQF-UHFFFAOYSA-N 0 0 335.245 3.995 50 10 EHCARN Oc1ccc(Cl)cc1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000022579054 563863470 /nfs/dbraw/zinc/86/34/70/563863470.db2.gz RXGURCUANJMKCF-QPJJXVBHSA-N 0 0 342.870 3.877 50 10 EHCARN CN(C)c1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000000070712 563974139 /nfs/dbraw/zinc/97/41/39/563974139.db2.gz VDRXBWYJNSWGDR-WJDWOHSUSA-N 0 0 326.783 3.751 50 10 EHCARN CC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1c(O)ccc2ccccc21 ZINC000000264552 563989889 /nfs/dbraw/zinc/98/98/89/563989889.db2.gz YSHSLFQVPOQIHV-NRFANRHFSA-N 0 0 334.419 3.837 50 10 EHCARN CN1N=C(c2ccccc2F)C(=CNc2ccc(Cl)cc2)C1=O ZINC000210999473 564053643 /nfs/dbraw/zinc/05/36/43/564053643.db2.gz JNGHZSGDYVXJDJ-UVTDQMKNSA-N 0 0 329.762 3.651 50 10 EHCARN COCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S ZINC000005905829 564056924 /nfs/dbraw/zinc/05/69/24/564056924.db2.gz SYNXTXRNPBVZBH-FMIVXFBMSA-N 0 0 327.858 3.578 50 10 EHCARN O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1cccc(O)c1 ZINC000006132528 564076707 /nfs/dbraw/zinc/07/67/07/564076707.db2.gz COHBVMBCXJLXTA-RIYZIHGNSA-N 0 0 331.393 3.937 50 10 EHCARN CN(C)c1ccc(CN(C)C(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000017112567 564116463 /nfs/dbraw/zinc/11/64/63/564116463.db2.gz AYNUKBOQYWTSGJ-UHFFFAOYSA-N 0 0 345.874 3.790 50 10 EHCARN CC[C@H](C)N1C(=O)c2ccccc2N[C@@H]1c1cccc(OC)c1O ZINC000007885518 564124376 /nfs/dbraw/zinc/12/43/76/564124376.db2.gz TXPMDZIDOUHKGS-SGTLLEGYSA-N 0 0 326.396 3.766 50 10 EHCARN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(OC(F)F)cc1 ZINC000008117788 564162774 /nfs/dbraw/zinc/16/27/74/564162774.db2.gz LEKMUGJMDWUNAS-RAXLEYEMSA-N 0 0 338.379 3.744 50 10 EHCARN CN1CCCCCC[N@H+](Cc2cccc(F)c2[O-])[C@H]2CCC[C@H]2C1=O ZINC000257179220 1034725612 /nfs/dbraw/zinc/72/56/12/1034725612.db2.gz IEBDUZRXXOKJKY-AEFFLSMTSA-N 0 0 348.462 3.534 50 10 EHCARN CCOc1cccc(/C=C2/SC(N3CCCCC3)=NC2=O)c1OC ZINC000096759411 1038633038 /nfs/dbraw/zinc/63/30/38/1038633038.db2.gz DMWVMDLIRUEHHM-NTCAYCPXSA-N 0 0 346.452 3.550 50 10 EHCARN Oc1ccc(Br)cc1CNc1ccc2c(c1)OCCO2 ZINC000040477096 213313355 /nfs/dbraw/zinc/31/33/55/213313355.db2.gz NPKBEDCPDPUBTD-UHFFFAOYSA-N 0 0 336.185 3.538 50 10 EHCARN CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2Cl)SC1=S ZINC000001163130 209714336 /nfs/dbraw/zinc/71/43/36/209714336.db2.gz VEOAXXVWWKWFMR-SDQBBNPISA-N 0 0 343.857 3.578 50 10 EHCARN CCSc1nnc2c(n1)OC(c1ccncc1)=Nc1ccccc1-2 ZINC000015017930 211790115 /nfs/dbraw/zinc/79/01/15/211790115.db2.gz NKYLWJMFJHFDDO-UHFFFAOYSA-N 0 0 335.392 3.516 50 10 EHCARN COc1ccc(/C=C2\C(C)=NN(c3cccc(C)c3)C2=O)cc1OC ZINC000013915482 211655583 /nfs/dbraw/zinc/65/55/83/211655583.db2.gz IAPIHAGWQUEMIA-GZTJUZNOSA-N 0 0 336.391 3.818 50 10 EHCARN COc1ccc(-n2c(C)cc(C(=O)N3CCC(C)CC3)c2C)cc1 ZINC000010742395 211186382 /nfs/dbraw/zinc/18/63/82/211186382.db2.gz UUAMDOJADMSAAX-UHFFFAOYSA-N 0 0 326.440 3.975 50 10 EHCARN Cc1ccc(C)n1-c1ccc(C(=O)N2CCc3ccc(O)cc3C2)cc1 ZINC000095356884 218290391 /nfs/dbraw/zinc/29/03/91/218290391.db2.gz RCZKGKXGWUATFE-UHFFFAOYSA-N 0 0 346.430 3.998 50 10 EHCARN CN(C)c1ccc(C2=CCN(C(=O)c3cccc(F)c3F)C2)cc1 ZINC000095456523 218399575 /nfs/dbraw/zinc/39/95/75/218399575.db2.gz IPENYSBRJFNSRX-UHFFFAOYSA-N 0 0 328.362 3.570 50 10 EHCARN CCCOC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S ZINC000005124176 210395076 /nfs/dbraw/zinc/39/50/76/210395076.db2.gz NIXOKRATIXCAJJ-SDNWHVSQSA-N 0 0 349.477 3.540 50 10 EHCARN COc1ccccc1NC=C1SC(=S)N(C2CCCC2)C1=O ZINC000005021785 210364761 /nfs/dbraw/zinc/36/47/61/210364761.db2.gz QNBPKUOPKLRCLC-UVTDQMKNSA-N 0 0 334.466 3.751 50 10 EHCARN Cc1cc(-c2csc(CC(N)=O)n2)c(C)n1-c1cc(C)cc(C)c1 ZINC000008042290 258053633 /nfs/dbraw/zinc/05/36/33/258053633.db2.gz BLOVHKBSPKHIBS-UHFFFAOYSA-N 0 0 339.464 3.862 50 10 EHCARN O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c([O-])c2ncccc12 ZINC000000310123 563280231 /nfs/dbraw/zinc/28/02/31/563280231.db2.gz NCXLPGIFFKJJHL-OAHLLOKOSA-N 0 0 349.390 3.838 50 10 EHCARN CCC[NH+](CCC)Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3 ZINC000002549615 563440470 /nfs/dbraw/zinc/44/04/70/563440470.db2.gz CABURUJAESMVDK-UHFFFAOYSA-N 0 0 329.440 3.999 50 10 EHCARN CNC(=S)Nc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=O)cc1 ZINC000002561622 563441565 /nfs/dbraw/zinc/44/15/65/563441565.db2.gz YXESMEFAXRSECX-UHFFFAOYSA-N 0 0 341.480 3.857 50 10 EHCARN CCN1C(=O)C(=CNc2ccc(C(F)(F)F)cc2)SC1=S ZINC000006791912 563586780 /nfs/dbraw/zinc/58/67/80/563586780.db2.gz FGFOPWPLRWFUKZ-JXMROGBWSA-N 0 0 332.372 3.839 50 10 EHCARN CN(C)c1ccc(CN(C)C(=O)Nc2cccc3cnccc32)cc1 ZINC000043162196 563597134 /nfs/dbraw/zinc/59/71/34/563597134.db2.gz MJIAZKLEDJKQRI-UHFFFAOYSA-N 0 0 334.423 3.965 50 10 EHCARN COc1ccccc1NCc1c(O)ccc2c3c(c(=O)oc21)CCC3 ZINC000008744377 563639084 /nfs/dbraw/zinc/63/90/84/563639084.db2.gz 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C[C@H]1CCCN(c2ccc(CNC(=O)CCc3ccncc3)cc2)C1 ZINC000097259261 219006407 /nfs/dbraw/zinc/00/64/07/219006407.db2.gz IANRPONZIATRAI-KRWDZBQOSA-N 0 0 337.467 3.567 50 10 EHCARN CCN1CCS/C1=C/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000097578159 219036276 /nfs/dbraw/zinc/03/62/76/219036276.db2.gz PZZPIUNFPIPITO-UQNWOCKMSA-N 0 0 348.518 3.845 50 10 EHCARN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccs1 ZINC000000118959 258047271 /nfs/dbraw/zinc/04/72/71/258047271.db2.gz FSZZSXFGKSVCJP-GDNBJRDFSA-N 0 0 343.379 3.764 50 10 EHCARN O=[N+]([O-])c1cnc(Sc2nnc(-c3ccc(Cl)cc3)o2)s1 ZINC000000128394 563237604 /nfs/dbraw/zinc/23/76/04/563237604.db2.gz ZEETYMQMBUWUTD-UHFFFAOYSA-N 0 0 340.773 3.906 50 10 EHCARN COc1ccc(N2CCN(C(=O)Nc3cc(C)cc(C)c3)CC2)cc1 ZINC000006714921 563582060 /nfs/dbraw/zinc/58/20/60/563582060.db2.gz OWNIKVALWKYCEN-UHFFFAOYSA-N 0 0 339.439 3.666 50 10 EHCARN C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000013671448 563709411 /nfs/dbraw/zinc/70/94/11/563709411.db2.gz FCXVCSCSLWYZQJ-OAHLLOKOSA-N 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O=[N+]([O-])c1ccc(CN(Cc2ccco2)Cc2ccccc2O)o1 ZINC000095430310 218373140 /nfs/dbraw/zinc/37/31/40/218373140.db2.gz VYNSVKHNOLAAAC-UHFFFAOYSA-N 0 0 328.324 3.689 50 10 EHCARN COc1ccc2c3ccc(O[C@H]4CCCCC4=O)cc3oc(=O)c2c1 ZINC000004993640 210352623 /nfs/dbraw/zinc/35/26/23/210352623.db2.gz JTXXZSZCCYEPDL-SFHVURJKSA-N 0 0 338.359 3.845 50 10 EHCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNCCc1ccccc1 ZINC000004872615 210310649 /nfs/dbraw/zinc/31/06/49/210310649.db2.gz JMAFFIGSKRBBHE-AQTBWJFISA-N 0 0 339.826 3.779 50 10 EHCARN CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(C[NH+](C)C)c1[O-] ZINC000004888408 210313251 /nfs/dbraw/zinc/31/32/51/210313251.db2.gz JYNXJALSRBHDNB-UHFFFAOYSA-N 0 0 344.436 3.555 50 10 EHCARN CN(C)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000000070707 563215159 /nfs/dbraw/zinc/21/51/59/563215159.db2.gz VDRXBWYJNSWGDR-LFIBNONCSA-N 0 0 326.783 3.751 50 10 EHCARN CCCCCC1=NN2C(=NC(=O)/C(=C/c3cccs3)C2=N)S1 ZINC000034868899 563482870 /nfs/dbraw/zinc/48/28/70/563482870.db2.gz 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CCCCN1C(=O)/C(=C\c2ccc(O)c(OCC)c2)SC1=S ZINC000004506157 210207459 /nfs/dbraw/zinc/20/74/59/210207459.db2.gz RFJYKRXXKZNKMG-GXDHUFHOSA-N 0 0 337.466 3.792 50 10 EHCARN O=C(c1ccccc1)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccco1 ZINC000004292024 210162572 /nfs/dbraw/zinc/16/25/72/210162572.db2.gz XDUPSAJJDQPMQV-GOSISDBHSA-N 0 0 332.359 3.977 50 10 EHCARN CC(=O)[C@H](N=Nc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000068601313 215320779 /nfs/dbraw/zinc/32/07/79/215320779.db2.gz MFYSUUPKMDJYPF-QBNCKDSPSA-N 0 0 340.339 3.583 50 10 EHCARN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2Cc1ccco1 ZINC000001578553 209762256 /nfs/dbraw/zinc/76/22/56/209762256.db2.gz ZPFUGHSCVQWWBR-UHFFFAOYSA-N 0 0 327.339 3.854 50 10 biogenic EHCARN Cc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000040123027 213270193 /nfs/dbraw/zinc/27/01/93/213270193.db2.gz OQXVDNPQPRTWRO-GOSISDBHSA-N 0 0 340.423 3.914 50 10 EHCARN Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S ZINC000022310289 212288302 /nfs/dbraw/zinc/28/83/02/212288302.db2.gz 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ZINC000001590838 563395098 /nfs/dbraw/zinc/39/50/98/563395098.db2.gz FUEGWHHUYNHBNI-UHFFFAOYSA-N 0 0 342.350 3.818 50 10 EHCARN COC(=O)c1ccc(-n2c(C)cc(-c3csc(N)n3)c2C)cc1 ZINC000002650731 563445229 /nfs/dbraw/zinc/44/52/29/563445229.db2.gz ZEEUOOOLMCAAPF-UHFFFAOYSA-N 0 0 327.409 3.586 50 10 EHCARN CCc1ccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000006715515 563582047 /nfs/dbraw/zinc/58/20/47/563582047.db2.gz USAKIHNYJSNIMP-UHFFFAOYSA-N 0 0 339.439 3.612 50 10 EHCARN O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1ccc(F)cc1 ZINC000015015238 563772236 /nfs/dbraw/zinc/77/22/36/563772236.db2.gz MXGWZPKJPKOGCH-ZROIWOOFSA-N 0 0 331.393 3.937 50 10 EHCARN COc1ccc(Cl)c(NC2=NC(=O)C(=Cc3cccnc3)S2)c1 ZINC000005151007 563994753 /nfs/dbraw/zinc/99/47/53/563994753.db2.gz KQOUIBQWALEQQM-VGOFMYFVSA-N 0 0 345.811 3.826 50 10 EHCARN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1cccc(F)c1 ZINC000005175031 563999997 /nfs/dbraw/zinc/99/99/97/563999997.db2.gz XXVFXJSLMWXNLM-UHFFFAOYSA-N 0 0 341.411 3.957 50 10 EHCARN CCN1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S ZINC000005201083 564000516 /nfs/dbraw/zinc/00/05/16/564000516.db2.gz VMPCRVOQEFXATB-UXBLZVDNSA-N 0 0 346.246 3.809 50 10 EHCARN Cc1cc(C(=O)N[C@H]2C[C@H]2c2ccccc2)c(C)n1-c1ccccn1 ZINC000062299225 564004471 /nfs/dbraw/zinc/00/44/71/564004471.db2.gz VFRXTVNUSCEFKP-OALUTQOASA-N 0 0 331.419 3.775 50 10 EHCARN Oc1c([C@@H](Nc2ccccn2)c2cccnc2)ccc2cccnc21 ZINC000085584344 564013819 /nfs/dbraw/zinc/01/38/19/564013819.db2.gz GQODCZOMDGLLAB-SFHVURJKSA-N 0 0 328.375 3.932 50 10 EHCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccccc1O ZINC000100989528 564017144 /nfs/dbraw/zinc/01/71/44/564017144.db2.gz KWMLBRZFQIPLSI-GXDHUFHOSA-N 0 0 327.771 3.764 50 10 EHCARN Nc1ccc(CC(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000225489558 564047224 /nfs/dbraw/zinc/04/72/24/564047224.db2.gz NRBDEHYDZXSRAR-QZTJIDSGSA-N 0 0 328.843 3.917 50 10 EHCARN COC(=O)c1ccc(NCc2c(O)ccc(Cl)c2F)c(F)c1 ZINC000225641748 564048900 /nfs/dbraw/zinc/04/89/00/564048900.db2.gz QMFIYAKUKLIMNH-UHFFFAOYSA-N 0 0 327.714 3.723 50 10 EHCARN Cc1ccc(/C=C2/SC(=S)N(Cc3cccnc3)C2=O)cc1 ZINC000001255230 564062759 /nfs/dbraw/zinc/06/27/59/564062759.db2.gz DXKCXABMMXDZMN-OQLLNIDSSA-N 0 0 326.446 3.791 50 10 EHCARN Cc1nn(C(C)C)c(C)c1NCc1ccc(N2CCOCC2)cc1 ZINC000084008425 564065801 /nfs/dbraw/zinc/06/58/01/564065801.db2.gz DOBUTVYYSOSYBC-UHFFFAOYSA-N 0 0 328.460 3.530 50 10 EHCARN CN(C)c1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000006831386 564099205 /nfs/dbraw/zinc/09/92/05/564099205.db2.gz VXGBXEZXKAWQMZ-UHFFFAOYSA-N 0 0 337.250 3.918 50 10 EHCARN O=C(CCc1ccc(F)cc1)NCc1c(O)ccc2c1CCCC2 ZINC000076089121 564115579 /nfs/dbraw/zinc/11/55/79/564115579.db2.gz BKAKPRLZHJVDNL-UHFFFAOYSA-N 0 0 327.399 3.659 50 10 EHCARN O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c32 ZINC000002417895 564134774 /nfs/dbraw/zinc/13/47/74/564134774.db2.gz SIJFRVCYVJSYJY-UHFFFAOYSA-N 0 0 344.374 3.738 50 10 EHCARN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc2ccccc21 ZINC000096011692 564144714 /nfs/dbraw/zinc/14/47/14/564144714.db2.gz KELBPVFMKCZYEU-CQSZACIVSA-N 0 0 335.403 3.541 50 10 EHCARN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1 ZINC000069493865 564169952 /nfs/dbraw/zinc/16/99/52/564169952.db2.gz RTAVPQACBRFXOE-UHFFFAOYSA-N 0 0 346.377 3.687 50 10 EHCARN Cc1cc(/C=C\C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(C)cc1 ZINC000098054052 219074419 /nfs/dbraw/zinc/07/44/19/219074419.db2.gz YAQDRYHGMWKDID-NHHWLVAYSA-N 0 0 338.451 3.711 50 10 EHCARN c1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)nc1 ZINC000004597435 210229346 /nfs/dbraw/zinc/22/93/46/210229346.db2.gz WJUCHYUNFGSMFB-UHFFFAOYSA-N 0 0 344.374 3.911 50 10 EHCARN CN(C1=NC(=O)/C(=C\c2ccc(F)cc2)S1)c1ccc(O)cc1 ZINC000004464208 210195574 /nfs/dbraw/zinc/19/55/74/210195574.db2.gz IKWJEOZZUWKNSR-XNTDXEJSSA-N 0 0 328.368 3.638 50 10 EHCARN CSC1=NC(=O)/C(=C/c2cccc(Oc3ncccn3)c2)S1 ZINC000004088947 210117350 /nfs/dbraw/zinc/11/73/50/210117350.db2.gz OTCLIDVEDAJWJD-XFXZXTDPSA-N 0 0 329.406 3.602 50 10 EHCARN c1ccn(-c2ccc(-c3noc(-c4ccc5c(c4)OCO5)n3)cc2)c1 ZINC000001422043 209744937 /nfs/dbraw/zinc/74/49/37/209744937.db2.gz XXAIOGWUTHCLQR-UHFFFAOYSA-N 0 0 331.331 3.923 50 10 EHCARN Cc1ccccc1Nc1c(-c2ccc(O)c(O)c2)nc2ncccn21 ZINC000035606387 213041867 /nfs/dbraw/zinc/04/18/67/213041867.db2.gz YNJOAYIJSUJEEF-UHFFFAOYSA-N 0 0 332.363 3.860 50 10 EHCARN Cc1ccc(Nc2c(-c3ccc(O)c(O)c3)nc3ncccn32)cc1 ZINC000035606425 213041084 /nfs/dbraw/zinc/04/10/84/213041084.db2.gz RJAXXGOLYPTTPO-UHFFFAOYSA-N 0 0 332.363 3.860 50 10 EHCARN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1cccnc1 ZINC000023230575 212362141 /nfs/dbraw/zinc/36/21/41/212362141.db2.gz VNMNBEMENCYJOS-NVNXTCNLSA-N 0 0 337.429 3.969 50 10 EHCARN CN(C)c1ccc(CN(C)C(=O)NCC2(c3ccccc3)CC2)cc1 ZINC000022427264 212296983 /nfs/dbraw/zinc/29/69/83/212296983.db2.gz MJHYWJUGVCBGTJ-UHFFFAOYSA-N 0 0 337.467 3.626 50 10 EHCARN Cc1cc(C(=O)NCc2ccc(O)cc2O)c2cccc(Cl)c2n1 ZINC000215109355 241104570 /nfs/dbraw/zinc/10/45/70/241104570.db2.gz ZIRKWFNCMQRDHV-UHFFFAOYSA-N 0 0 342.782 3.538 50 10 EHCARN COc1c(Cl)cc(Cl)cc1/C=C1/SC(=S)N(C)C1=O ZINC000015011848 211788573 /nfs/dbraw/zinc/78/85/73/211788573.db2.gz SZEFOVOCYRVIGR-RUDMXATFSA-N 0 0 334.249 3.833 50 10 EHCARN COc1ccccc1/C=C1\SC(=S)N(Cc2ccco2)C1=O ZINC000014183161 211703024 /nfs/dbraw/zinc/70/30/24/211703024.db2.gz IOTLGRCIVJPNMF-ZROIWOOFSA-N 0 0 331.418 3.690 50 10 EHCARN Cc1cc(CNC(=O)NCc2ccco2)c(C)n1-c1ccc(F)cc1 ZINC000009228725 211055068 /nfs/dbraw/zinc/05/50/68/211055068.db2.gz SVIDRJMHTHPKFS-UHFFFAOYSA-N 0 0 341.386 3.826 50 10 EHCARN O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccncc1 ZINC000005018957 210364252 /nfs/dbraw/zinc/36/42/52/210364252.db2.gz HHFNRSSLJAWRIT-LCYFTJDESA-N 0 0 328.165 3.825 50 10 EHCARN CC(C)c1ccc(NC(=O)c2cn(Cc3ccc(N)cc3)cn2)cc1 ZINC000071775244 258063995 /nfs/dbraw/zinc/06/39/95/258063995.db2.gz BEJCWJBBGKWLLH-UHFFFAOYSA-N 0 0 334.423 3.889 50 10 EHCARN COc1ccc(N2CCN(C(=O)c3ccc(C)c(Cl)c3)CC2)cc1 ZINC000000516056 135651670 /nfs/dbraw/zinc/65/16/70/135651670.db2.gz NAHZVHJMGYQDHI-UHFFFAOYSA-N 0 0 344.842 3.619 50 10 EHCARN O=[N+]([O-])c1cnc(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)s1 ZINC000002148172 563423995 /nfs/dbraw/zinc/42/39/95/563423995.db2.gz LSJRWZHBRMRDEI-UHFFFAOYSA-N 0 0 339.789 3.641 50 10 EHCARN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(C)c1 ZINC000012632153 563666549 /nfs/dbraw/zinc/66/65/49/563666549.db2.gz FXRCPTFPPDYYEP-AQTBWJFISA-N 0 0 333.387 3.872 50 10 EHCARN COc1ccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cn1 ZINC000015617381 563788770 /nfs/dbraw/zinc/78/87/70/563788770.db2.gz VSRFSMZJIHWLQC-UHFFFAOYSA-N 0 0 339.370 3.889 50 10 EHCARN CC(=O)Nc1ccc(NCc2cc(Br)ccc2O)cc1 ZINC000044836184 563926719 /nfs/dbraw/zinc/92/67/19/563926719.db2.gz CRQQDUMTZAMADN-UHFFFAOYSA-N 0 0 335.201 3.725 50 10 EHCARN Cc1cc(C(=O)CSc2n[nH]c(C)n2)c(C)n1-c1cccc(C)c1 ZINC000044030807 563980897 /nfs/dbraw/zinc/98/08/97/563980897.db2.gz PARUOUMNSPBOJS-UHFFFAOYSA-N 0 0 340.452 3.804 50 10 EHCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNNc1ccc(C)cc1 ZINC000223247471 564039378 /nfs/dbraw/zinc/03/93/78/564039378.db2.gz HBOFWEILFZPKQI-BOPFTXTBSA-N 0 0 340.814 3.872 50 10 EHCARN CCCC(=O)N1N=C(c2ccc(OC)cc2O)C[C@H]1c1cccs1 ZINC000241173100 564051884 /nfs/dbraw/zinc/05/18/84/564051884.db2.gz KGBUNQYKFFSVMB-HNNXBMFYSA-N 0 0 344.436 3.940 50 10 EHCARN CC(C)Oc1ccc(CNC(=O)N(C)Cc2ccccc2O)cc1F ZINC000075133505 564080502 /nfs/dbraw/zinc/08/05/02/564080502.db2.gz QWOFTDSYOHKMNY-UHFFFAOYSA-N 0 0 346.402 3.660 50 10 EHCARN Cc1cc(C(=O)C(=O)Nc2nccs2)c(C)n1-c1cccc(C)c1 ZINC000006780853 564097608 /nfs/dbraw/zinc/09/76/08/564097608.db2.gz DFAOGWLQTLNLPP-UHFFFAOYSA-N 0 0 339.420 3.680 50 10 EHCARN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2Cc1ccccn1 ZINC000028641045 564152086 /nfs/dbraw/zinc/15/20/86/564152086.db2.gz RYCSNCAJGGSBLK-UHFFFAOYSA-N 0 0 338.366 3.656 50 10 biogenic EHCARN O=C(Nc1cccs1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000069514346 564170033 /nfs/dbraw/zinc/17/00/33/564170033.db2.gz ULFCUKMAAXHHHF-AWEZNQCLSA-N 0 0 332.425 3.667 50 10 EHCARN O=C1C(=CNc2ccccc2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000100329297 219096844 /nfs/dbraw/zinc/09/68/44/219096844.db2.gz VHNVXCQMNJXHGT-KAMYIIQDSA-N 0 0 331.297 3.948 50 10 EHCARN O=C1/C(=C/C=C/c2ccco2)SC(=S)N1c1ccc(O)cc1 ZINC000004387521 210185762 /nfs/dbraw/zinc/18/57/62/210185762.db2.gz YIPZYGCMVAMSCZ-NQDFZQDQSA-N 0 0 329.402 3.947 50 10 EHCARN COc1ccc(-c2c(C)c3ccc([O-])c(C[NH+](C)C)c3oc2=O)cc1 ZINC000004353828 210177220 /nfs/dbraw/zinc/17/72/20/210177220.db2.gz VXZGKPZOKQYPDA-UHFFFAOYSA-N 0 0 339.391 3.544 50 10 biogenic EHCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1coc2ccccc2c1=O ZINC000101498304 219128956 /nfs/dbraw/zinc/12/89/56/219128956.db2.gz NFAZUNRFWZCXTK-GZTJUZNOSA-N 0 0 330.343 3.599 50 10 EHCARN COCCNC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000003277039 209994852 /nfs/dbraw/zinc/99/48/52/209994852.db2.gz VITMRGFJXXQRMS-UHFFFAOYSA-N 0 0 348.855 3.504 50 10 EHCARN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(C)cc1 ZINC000103850928 219325522 /nfs/dbraw/zinc/32/55/22/219325522.db2.gz HIHLZVWLSNKGHF-GZTJUZNOSA-N 0 0 327.424 3.714 50 10 EHCARN O=C(Nc1cccs1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000069514350 215452033 /nfs/dbraw/zinc/45/20/33/215452033.db2.gz ULFCUKMAAXHHHF-CQSZACIVSA-N 0 0 332.425 3.667 50 10 EHCARN COc1ccc(NC(=O)c2cc(C)n(-c3ccccc3F)c2C)cn1 ZINC000040050163 213255829 /nfs/dbraw/zinc/25/58/29/213255829.db2.gz AUERGVDEDDUWTM-UHFFFAOYSA-N 0 0 339.370 3.889 50 10 EHCARN Cc1nc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c(C)s1 ZINC000216346368 241184519 /nfs/dbraw/zinc/18/45/19/241184519.db2.gz CERGDJBAGSBQPK-CYBMUJFWSA-N 0 0 343.496 3.926 50 10 EHCARN C[C@@H]1CCC[N@H+](Cc2c([O-])c(Cl)cc3c4c(c(=O)oc32)CCC4)C1 ZINC000019913146 212083387 /nfs/dbraw/zinc/08/33/87/212083387.db2.gz AHKMKPDAZASEIB-LLVKDONJSA-N 0 0 347.842 3.873 50 10 EHCARN C[NH+](C)Cc1c([O-])c(Cl)cc2c(-c3ccccc3)cc(=O)oc21 ZINC000019789429 212066768 /nfs/dbraw/zinc/06/67/68/212066768.db2.gz GKQNWOIDXNKHFQ-UHFFFAOYSA-N 0 0 329.783 3.881 50 10 EHCARN Cc1ccccc1NC(=O)Cc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000014186960 211704439 /nfs/dbraw/zinc/70/44/39/211704439.db2.gz KBTVOWWLRHYTBE-UHFFFAOYSA-N 0 0 340.404 3.711 50 10 EHCARN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@H]2CCCO2)c1 ZINC000012824083 211467245 /nfs/dbraw/zinc/46/72/45/211467245.db2.gz KORFJUYADYWTPN-OAHLLOKOSA-N 0 0 332.831 3.656 50 10 EHCARN COc1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1 ZINC000012731531 211439880 /nfs/dbraw/zinc/43/98/80/211439880.db2.gz PZOXRWHIFUFFGV-XNTDXEJSSA-N 0 0 344.461 3.651 50 10 EHCARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000012417752 211373584 /nfs/dbraw/zinc/37/35/84/211373584.db2.gz OIGBFUYSVIRKGB-ORAYPTAESA-N 0 0 347.414 3.771 50 10 EHCARN CC[C@@H](C)NC(=O)NCc1cc(C)n(-c2ccccc2OC)c1C ZINC000009228905 211056474 /nfs/dbraw/zinc/05/64/74/211056474.db2.gz MYDHHPGHEPEXEY-CYBMUJFWSA-N 0 0 329.444 3.700 50 10 EHCARN CCN1C(=O)C(=CNc2ccc(Br)cc2)SC1=S ZINC000006822213 210722055 /nfs/dbraw/zinc/72/20/55/210722055.db2.gz RKRYARPGDXKJOV-JXMROGBWSA-N 0 0 343.271 3.583 50 10 EHCARN COc1ccc(OC)c(C2=C/C(=C/c3ccccc3F)C(=O)O2)c1 ZINC000005018596 210363817 /nfs/dbraw/zinc/36/38/17/210363817.db2.gz VCTDFCPCATZUKC-LCYFTJDESA-N 0 0 326.323 3.824 50 10 EHCARN CC(C)Oc1ccccc1C=C1SC(NC2CCCC2)=NC1=O ZINC000006598729 257836846 /nfs/dbraw/zinc/83/68/46/257836846.db2.gz OJGQIKLAWXXZHM-LFIBNONCSA-N 0 0 330.453 3.976 50 10 EHCARN O=C(N1N=C(c2ccccc2)C[C@H]1c1ccccc1O)C(F)(F)F ZINC000006590547 257927575 /nfs/dbraw/zinc/92/75/75/257927575.db2.gz VBSVFCVUBVAXMH-AWEZNQCLSA-N 0 0 334.297 3.632 50 10 EHCARN CCC(=O)N1N=C(c2ccc(O)c(OC)c2)C[C@@H]1c1ccsc1 ZINC000328600334 258041721 /nfs/dbraw/zinc/04/17/21/258041721.db2.gz WZIRYOFFYXRSTK-CQSZACIVSA-N 0 0 330.409 3.550 50 10 EHCARN CCN1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S ZINC000016049423 563802775 /nfs/dbraw/zinc/80/27/75/563802775.db2.gz LTOHJRWJETYDIL-BJMVGYQFSA-N 0 0 346.246 3.809 50 10 EHCARN COc1ccc(NCc2cc(Br)ccc2O)c(OC)c1 ZINC000000405321 563306569 /nfs/dbraw/zinc/30/65/69/563306569.db2.gz YMOUERFODBEGRA-UHFFFAOYSA-N 0 0 338.201 3.784 50 10 EHCARN CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000001188261 563378166 /nfs/dbraw/zinc/37/81/66/563378166.db2.gz NXPOAXWIFPXKAK-YFHOEESVSA-N 0 0 328.256 3.670 50 10 EHCARN Cc1ccc(-c2ccc(C=C3SC(=S)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000002772565 563450404 /nfs/dbraw/zinc/45/04/04/563450404.db2.gz ZNEALITWLZUITR-QPEQYQDCSA-N 0 0 346.389 3.652 50 10 EHCARN O=C1c2ccccc2-c2onc3c2c1c(N1CC1)cc3Br ZINC000002895668 563462375 /nfs/dbraw/zinc/46/23/75/563462375.db2.gz CNDVXLXJVIAWQM-UHFFFAOYSA-N 0 0 341.164 3.622 50 10 EHCARN COc1ccc(N2CCN(C(=O)CCC3CCCCC3)CC2)cc1 ZINC000013331715 563696602 /nfs/dbraw/zinc/69/66/02/563696602.db2.gz QHWXLDUIAZVYPO-UHFFFAOYSA-N 0 0 330.472 3.704 50 10 EHCARN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1Cc1ccco1 ZINC000016667824 563819681 /nfs/dbraw/zinc/81/96/81/563819681.db2.gz CVCZLYCVMGMLPQ-JYRVWZFOSA-N 0 0 346.389 3.589 50 10 EHCARN Cc1ccc(/C=C2\C(=O)N=C3SN=C(SCC(C)C)N3C2=N)o1 ZINC000032957619 563901430 /nfs/dbraw/zinc/90/14/30/563901430.db2.gz FUNIIRAIDDXMBD-IUJVOJJXSA-N 0 0 348.453 3.554 50 10 EHCARN CN(Cc1noc(C(C)(C)C)n1)Cc1ccc(N2CCCCC2)cc1 ZINC000048287038 564030496 /nfs/dbraw/zinc/03/04/96/564030496.db2.gz PRLRYOFISQOENB-UHFFFAOYSA-N 0 0 342.487 3.989 50 10 EHCARN CCOc1ccc(N2C(=O)/C(=C\c3cccn3C)SC2=S)cc1 ZINC000005791100 564052202 /nfs/dbraw/zinc/05/22/02/564052202.db2.gz AGFLVCOERYOKSP-RVDMUPIBSA-N 0 0 344.461 3.830 50 10 EHCARN COc1ccccc1NC[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000012561500 564059598 /nfs/dbraw/zinc/05/95/98/564059598.db2.gz CHJUSPVUTHZBGM-GFCCVEGCSA-N 0 0 342.222 3.854 50 10 EHCARN Cc1cc(C(=O)N[C@H]2CCc3ccccc32)c(C)n1-c1ccccn1 ZINC000073744386 564061996 /nfs/dbraw/zinc/06/19/96/564061996.db2.gz AWDRFHCSBNYIDJ-IBGZPJMESA-N 0 0 331.419 3.906 50 10 EHCARN Cc1cc(C(=O)CN2C[C@@H](C)O[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000013208758 564103700 /nfs/dbraw/zinc/10/37/00/564103700.db2.gz GKAOTGOAWNLDCV-GASCZTMLSA-N 0 0 344.430 3.525 50 10 EHCARN COc1ccccc1NC[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000002878102 564117086 /nfs/dbraw/zinc/11/70/86/564117086.db2.gz HARQWJQPOOPMQM-MRXNPFEDSA-N 0 0 329.440 3.845 50 10 EHCARN O=C([C@@H]1C[C@@H]1c1cccnc1)N(Cc1ccco1)Cc1ccccc1O ZINC000069975204 564173015 /nfs/dbraw/zinc/17/30/15/564173015.db2.gz PPOPCODETVKEFA-RTBURBONSA-N 0 0 348.402 3.713 50 10 EHCARN O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1c1ccccc1 ZINC000004471643 210195567 /nfs/dbraw/zinc/19/55/67/210195567.db2.gz YYJHBJZHHUGFBT-OQLLNIDSSA-N 0 0 341.413 3.821 50 10 EHCARN CC(=O)c1ccc(N2C(=O)C(=Cc3ccccn3)SC2=S)cc1 ZINC000004193736 210144218 /nfs/dbraw/zinc/14/42/18/210144218.db2.gz CRYIJJSMLSPNMT-GDNBJRDFSA-N 0 0 340.429 3.690 50 10 EHCARN Cc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000102602560 219213022 /nfs/dbraw/zinc/21/30/22/219213022.db2.gz ZGJXMEYFMYYBHM-VOJFVSQTSA-N 0 0 337.427 3.570 50 10 EHCARN Cc1ccc(C)n1-c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000003242470 209986140 /nfs/dbraw/zinc/98/61/40/209986140.db2.gz RJYNSULDOHGVIN-UHFFFAOYSA-N 0 0 332.469 3.577 50 10 EHCARN COCCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000002820348 209922004 /nfs/dbraw/zinc/92/20/04/209922004.db2.gz WSGNUPZIDHWBOZ-XFFZJAGNSA-N 0 0 348.276 3.841 50 10 EHCARN O=C1/C(=C/c2ccccc2O)SC(=S)N1Cc1ccccc1 ZINC000001009741 209700481 /nfs/dbraw/zinc/70/04/81/209700481.db2.gz VLXOALANDYHFIS-GDNBJRDFSA-N 0 0 327.430 3.794 50 10 EHCARN Cc1ccc(-c2ocnc2C(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000033049170 212892983 /nfs/dbraw/zinc/89/29/83/212892983.db2.gz KYUWTEMBJNDDTB-UHFFFAOYSA-N 0 0 341.436 3.708 50 10 EHCARN Cc1ccc([C@H]2C[C@@H](c3ccc(N(C)C)cc3)n3ncnc3N2)cc1 ZINC000000407807 209572850 /nfs/dbraw/zinc/57/28/50/209572850.db2.gz RAGXUGCDQGRNGQ-MOPGFXCFSA-N 0 0 333.439 3.799 50 10 EHCARN CC(=O)C[C@@H](c1ccccc1)C1(Cl)C(=O)c2ccccc2C1=O ZINC000000349283 209544119 /nfs/dbraw/zinc/54/41/19/209544119.db2.gz OWRBRNJMOKYORB-INIZCTEOSA-N 0 0 326.779 3.806 50 10 EHCARN COC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl ZINC000000044166 209386466 /nfs/dbraw/zinc/38/64/66/209386466.db2.gz LLJWJMLMKXMMGS-UHFFFAOYSA-N 0 0 344.750 3.665 50 10 biogenic EHCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1O ZINC000021966100 212266721 /nfs/dbraw/zinc/26/67/21/212266721.db2.gz WNMYDEHMYUFQPN-UVTDQMKNSA-N 0 0 327.771 3.764 50 10 EHCARN Cc1ccc(O)c(CNc2nnc(-c3cccc(OC(F)F)c3)o2)c1 ZINC000225431510 241858002 /nfs/dbraw/zinc/85/80/02/241858002.db2.gz TZCLFZQJPOKKPI-UHFFFAOYSA-N 0 0 347.321 3.964 50 10 EHCARN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@@H]2CCCO2)c1 ZINC000012824081 211466999 /nfs/dbraw/zinc/46/69/99/211466999.db2.gz KORFJUYADYWTPN-HNNXBMFYSA-N 0 0 332.831 3.656 50 10 EHCARN COCCCNC(=O)NCc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000009228610 211055379 /nfs/dbraw/zinc/05/53/79/211055379.db2.gz TWODGLHZWUXHED-UHFFFAOYSA-N 0 0 349.862 3.583 50 10 EHCARN Cc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)c(C)n1-c1ccccc1 ZINC000004921793 210323509 /nfs/dbraw/zinc/32/35/09/210323509.db2.gz IETCWNQSLROKHI-RZZJTRJGSA-N 0 0 346.390 3.545 50 10 EHCARN Cc1cc(C=O)c(C)n1-c1cccc(I)c1 ZINC000000453634 257976965 /nfs/dbraw/zinc/97/69/65/257976965.db2.gz INOXXKWKQGWVDR-UHFFFAOYSA-N 0 0 325.149 3.511 50 10 EHCARN CCOC(=O)c1c(-c2ccccc2)oc2c1C(=O)c1ccccc1C2=O ZINC000000340461 563286209 /nfs/dbraw/zinc/28/62/09/563286209.db2.gz KUAHQNZYBKFZDR-UHFFFAOYSA-N 0 0 346.338 3.899 50 10 EHCARN O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1Nc1ccccc1 ZINC000001211182 563379663 /nfs/dbraw/zinc/37/96/63/563379663.db2.gz QLJJIJBMCISLBF-UVTDQMKNSA-N 0 0 328.418 3.621 50 10 EHCARN CCCOC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002975756 563465219 /nfs/dbraw/zinc/46/52/19/563465219.db2.gz PYLLWZCWOCKWEU-UHFFFAOYSA-N 0 0 338.359 3.792 50 10 EHCARN CN1CCC(=C2c3ccsc3[S@](=O)Cc3ccccc32)CC1 ZINC000006638484 563575859 /nfs/dbraw/zinc/57/58/59/563575859.db2.gz FSQVDETZDASOAR-QFIPXVFZSA-N 0 0 329.490 3.897 50 10 EHCARN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OC)cc1OC ZINC000071911704 563588628 /nfs/dbraw/zinc/58/86/28/563588628.db2.gz HAZWYYBIAIAVOR-UHFFFAOYSA-N 0 0 344.411 3.854 50 10 EHCARN CCCCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000002666911 563601227 /nfs/dbraw/zinc/60/12/27/563601227.db2.gz RZINIOGJBKDVRZ-RAXLEYEMSA-N 0 0 336.438 3.986 50 10 EHCARN O=C(CSc1nccs1)Nc1cccc(OC(F)(F)F)c1 ZINC000032932290 563842938 /nfs/dbraw/zinc/84/29/38/563842938.db2.gz UNPXWSMAMHEMEB-UHFFFAOYSA-N 0 0 334.344 3.773 50 10 EHCARN O=C1/C(=C\c2ccncc2)SC(=S)N1CCc1ccccc1 ZINC000027229396 563895065 /nfs/dbraw/zinc/89/50/65/563895065.db2.gz MORGTPJJVPIDDT-NTCAYCPXSA-N 0 0 326.446 3.526 50 10 EHCARN O=C1/C(=C\C=C\c2ccco2)SC(=S)N1c1cccc(O)c1 ZINC000027533629 563896289 /nfs/dbraw/zinc/89/62/89/563896289.db2.gz UDWAAPWKAAZYOG-BOAPOFAJSA-N 0 0 329.402 3.947 50 10 EHCARN CN(C)c1ccc(CN(C(=O)c2ccccc2)c2ccccn2)cc1 ZINC000028286944 563902033 /nfs/dbraw/zinc/90/20/33/563902033.db2.gz VRHBFTZUZPNCDX-UHFFFAOYSA-N 0 0 331.419 3.995 50 10 EHCARN Oc1ccc(Br)cc1C1=NN[C@H](c2ccc(F)cc2)C1 ZINC000000462547 564000971 /nfs/dbraw/zinc/00/09/71/564000971.db2.gz ADEMRXVZBYKCTR-ZDUSSCGKSA-N 0 0 335.176 3.733 50 10 EHCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1cccc(N)c1 ZINC000100989457 564017169 /nfs/dbraw/zinc/01/71/69/564017169.db2.gz IJYHFIYHDDQQDG-YBEGLDIGSA-N 0 0 326.787 3.641 50 10 EHCARN CN(C)c1ccc(CNC(=O)Nc2cccc(OC(F)F)c2)cc1 ZINC000047907602 564029765 /nfs/dbraw/zinc/02/97/65/564029765.db2.gz RIGUBFXKAHFUBA-UHFFFAOYSA-N 0 0 335.354 3.676 50 10 EHCARN Cc1oc(C2CCC2)nc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000065293604 564104819 /nfs/dbraw/zinc/10/48/19/564104819.db2.gz QFKYJPRYOATUTA-UHFFFAOYSA-N 0 0 339.439 3.781 50 10 EHCARN CCN(CC)c1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1 ZINC000002823997 564117025 /nfs/dbraw/zinc/11/70/25/564117025.db2.gz MNZGHBJANZEQEU-NTCAYCPXSA-N 0 0 326.421 3.939 50 10 EHCARN COc1ccc(N2CCN(Cc3coc(C(C)C)n3)CC2(C)C)cc1 ZINC000097698687 219049189 /nfs/dbraw/zinc/04/91/89/219049189.db2.gz BEPOAPBZYODMBA-UHFFFAOYSA-N 0 0 343.471 3.907 50 10 EHCARN O=C1NN=C(C(F)(F)F)C1=CNc1ccc(Oc2ccccc2)cc1 ZINC000100408792 219098292 /nfs/dbraw/zinc/09/82/92/219098292.db2.gz MUJKNWMKAIBWNC-GXDHUFHOSA-N 0 0 347.296 3.823 50 10 EHCARN O=C1c2ccccc2C(=O)c2c(OCC(F)(F)C(F)F)cccc21 ZINC000004305853 210164678 /nfs/dbraw/zinc/16/46/78/210164678.db2.gz GHQZRWFQDNYBRD-UHFFFAOYSA-N 0 0 338.256 3.741 50 10 EHCARN Cc1cccc(C2=NN3C(=NC(=O)/C(=C/c4ccccc4)C3=N)S2)c1 ZINC000003863127 210080933 /nfs/dbraw/zinc/08/09/33/210080933.db2.gz ZMSLWEMNSPRMAH-UMWCEBECSA-N 0 0 346.415 3.662 50 10 EHCARN Cc1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)c(C)n1-c1ccccn1 ZINC000067811416 215218263 /nfs/dbraw/zinc/21/82/63/215218263.db2.gz VFRXTVNUSCEFKP-RBUKOAKNSA-N 0 0 331.419 3.775 50 10 EHCARN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCCC1 ZINC000069509721 215448673 /nfs/dbraw/zinc/44/86/73/215448673.db2.gz XJKQQOHRQVZCBN-UHFFFAOYSA-N 0 0 338.398 3.563 50 10 EHCARN CC1(C)OC(=O)C(=CSc2cccc(C(F)(F)F)c2)C(=O)O1 ZINC000001404299 209741008 /nfs/dbraw/zinc/74/10/08/209741008.db2.gz WFQOVJFUAHZUEV-UHFFFAOYSA-N 0 0 332.299 3.518 50 10 EHCARN COc1cccc(-c2nc(OCC(C)C)nn2-c2ccc(N)cc2)c1 ZINC000037384783 213142977 /nfs/dbraw/zinc/14/29/77/213142977.db2.gz SYOYZARMZUNERB-UHFFFAOYSA-N 0 0 338.411 3.560 50 10 EHCARN CCCc1noc(CC2(c3ccccc3)C(=O)c3ccccc3C2=O)n1 ZINC000020599540 212151388 /nfs/dbraw/zinc/15/13/88/212151388.db2.gz SICWVJLLZOPWLR-UHFFFAOYSA-N 0 0 346.386 3.582 50 10 EHCARN Cc1ccc(Cl)cc1NC(=O)[C@]12CC[C@](C)(C(=O)C1=O)C2(C)C ZINC000002172645 258049601 /nfs/dbraw/zinc/04/96/01/258049601.db2.gz YRMORVHTSHLNBQ-MSOLQXFVSA-N 0 0 333.815 3.551 50 10 EHCARN CCc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1 ZINC000000134799 563240026 /nfs/dbraw/zinc/24/00/26/563240026.db2.gz JJXIILZJBJAPRX-UHFFFAOYSA-N 0 0 327.405 3.909 50 10 EHCARN O=C(c1ccc(F)cc1)N1C(=O)/C(=C\c2ccccc2)SC1=S ZINC000001086342 563374251 /nfs/dbraw/zinc/37/42/51/563374251.db2.gz BDKBDKPYWWPGDZ-GXDHUFHOSA-N 0 0 343.404 3.867 50 10 EHCARN CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCC ZINC000001190221 563378409 /nfs/dbraw/zinc/37/84/09/563378409.db2.gz FFLOMPUTWSSDAS-YRNVUSSQSA-N 0 0 343.857 3.626 50 10 EHCARN COc1ccc(N2CCN(C(=O)c3csc(C(C)C)c3)CC2)cc1 ZINC000012382866 563659423 /nfs/dbraw/zinc/65/94/23/563659423.db2.gz IHGWNAYCMZGYOC-UHFFFAOYSA-N 0 0 344.480 3.843 50 10 EHCARN CCc1c(C)scc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000013331789 563696671 /nfs/dbraw/zinc/69/66/71/563696671.db2.gz HFYYYGYNUMCMPH-UHFFFAOYSA-N 0 0 344.480 3.590 50 10 EHCARN COc1cccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1 ZINC000013597291 563703298 /nfs/dbraw/zinc/70/32/98/563703298.db2.gz ZVEVLJTZRORWJQ-ZROIWOOFSA-N 0 0 331.418 3.690 50 10 EHCARN CN(C)c1ccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2ccco2)cc1 ZINC000058196765 563939592 /nfs/dbraw/zinc/93/95/92/563939592.db2.gz JFIMFBFEZAVQGL-KRWDZBQOSA-N 0 0 349.390 3.930 50 10 EHCARN CN(C)c1ccc([C@H]2C[C@@H](c3cccs3)Nc3ncnn32)cc1 ZINC000000080790 563974780 /nfs/dbraw/zinc/97/47/80/563974780.db2.gz OLEVJJXTKBJNDN-LSDHHAIUSA-N 0 0 325.441 3.552 50 10 EHCARN CN(C)c1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 ZINC000000176521 563987668 /nfs/dbraw/zinc/98/76/68/563987668.db2.gz JEEVNSPXLFLGSX-YBEGLDIGSA-N 0 0 326.783 3.751 50 10 EHCARN COC(=O)c1sc2nc(N3CCCCC3)c3c(c2c1N)CCCC3 ZINC000004844257 563988657 /nfs/dbraw/zinc/98/86/57/563988657.db2.gz BDGQJSFESGZITR-UHFFFAOYSA-N 0 0 345.468 3.534 50 10 EHCARN O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccccn1 ZINC000000432630 564012594 /nfs/dbraw/zinc/01/25/94/564012594.db2.gz VHHFGVUXQSIXEL-XFXZXTDPSA-N 0 0 328.165 3.825 50 10 EHCARN CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1c[nH]c2ccccc12 ZINC000000534972 564022055 /nfs/dbraw/zinc/02/20/55/564022055.db2.gz WCUQBPHRWXOCRN-VDZCTEQFSA-N 0 0 343.430 3.805 50 10 EHCARN Cc1ccc(NC(=O)CSc2nccs2)c(Br)c1 ZINC000047240998 564025946 /nfs/dbraw/zinc/02/59/46/564025946.db2.gz DDMFFLTWZYBLEI-UHFFFAOYSA-N 0 0 343.271 3.945 50 10 EHCARN CN(C)c1ccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc1 ZINC000001015801 564054080 /nfs/dbraw/zinc/05/40/80/564054080.db2.gz IYFMHJVLNPQYPE-XNTDXEJSSA-N 0 0 341.461 3.553 50 10 EHCARN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000085875666 564075150 /nfs/dbraw/zinc/07/51/50/564075150.db2.gz YAOFZBMTCQLESX-INIZCTEOSA-N 0 0 335.403 3.797 50 10 biogenic EHCARN COc1ccc(O)c(CNC(=O)c2cc3c(s2)CCCCC3)c1 ZINC000170626933 564110575 /nfs/dbraw/zinc/11/05/75/564110575.db2.gz ZWFIOUMWAQIDKD-UHFFFAOYSA-N 0 0 331.437 3.661 50 10 EHCARN CC[C@@H](C)N1C(=O)c2ccccc2N[C@H]1c1cccc(OC)c1O ZINC000007885513 564124372 /nfs/dbraw/zinc/12/43/72/564124372.db2.gz TXPMDZIDOUHKGS-KZULUSFZSA-N 0 0 326.396 3.766 50 10 EHCARN Cc1ccccc1C1=NN2C(=NC(=O)/C(=C\c3ccccc3)C2=N)S1 ZINC000002824399 564152802 /nfs/dbraw/zinc/15/28/02/564152802.db2.gz INBUCMJDYJDZDS-GQECEEOXSA-N 0 0 346.415 3.662 50 10 EHCARN CC(C)(C)c1noc(CN(Cc2ccco2)Cc2ccccc2O)n1 ZINC000069696645 564171486 /nfs/dbraw/zinc/17/14/86/564171486.db2.gz SYOPOJIAKYGIIL-UHFFFAOYSA-N 0 0 341.411 3.868 50 10 EHCARN Cc1cc(/C=C/C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(C)cc1 ZINC000025704975 1025903519 /nfs/dbraw/zinc/90/35/19/1025903519.db2.gz YAQDRYHGMWKDID-OJLWIZQOSA-N 0 0 338.451 3.711 50 10 EHCARN CCc1ccc(N2N=C(C)/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000005047000 1042784003 /nfs/dbraw/zinc/78/40/03/1042784003.db2.gz XXNLZKLRHTZDFG-PDGQHHTCSA-N 0 0 335.363 3.963 50 10 EHCARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1ccco1 ZINC000101651782 1128897237 /nfs/dbraw/zinc/89/72/37/1128897237.db2.gz OPOBGRPLCPTBIS-SFQUDFHCSA-N 0 0 337.375 3.855 50 10 EHCARN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Cl)c1O ZINC000033315691 1122596392 /nfs/dbraw/zinc/59/63/92/1122596392.db2.gz BYVWTLUIJSVEAK-YRNVUSSQSA-N 0 0 343.857 3.665 50 10 EHCARN Cc1ccc(C(=O)N2CCOc3ccc(N4CCCC4)cc3C2)s1 ZINC000581789044 1132363006 /nfs/dbraw/zinc/36/30/06/1132363006.db2.gz HCFOJAXZDSAMFA-UHFFFAOYSA-N 0 0 342.464 3.692 50 10 EHCARN O=C1/C(=C/c2cccc(O)c2)SC(=S)N1CCc1ccccc1 ZINC000004680468 210246777 /nfs/dbraw/zinc/24/67/77/210246777.db2.gz JTKZZESAGQGXLR-VBKFSLOCSA-N 0 0 341.457 3.836 50 10 EHCARN COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1O ZINC000097990664 219065568 /nfs/dbraw/zinc/06/55/68/219065568.db2.gz SOGOFYZNYGQGLT-XNTDXEJSSA-N 0 0 343.429 3.807 50 10 EHCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNCc1ccccc1 ZINC000100044389 219089062 /nfs/dbraw/zinc/08/90/62/219089062.db2.gz MFTTXNVCGDNXOS-SFQUDFHCSA-N 0 0 325.799 3.736 50 10 EHCARN O=C1N=C(Nc2ccc(F)cc2)SC1=Cc1ccc2c(c1)OCO2 ZINC000004470507 210194736 /nfs/dbraw/zinc/19/47/36/210194736.db2.gz DATRBBIPTFEIBI-OVCLIPMQSA-N 0 0 342.351 3.637 50 10 EHCARN CCN1c2cc(Cl)ccc2S/C1=C1/SC(=S)N(C)C1=O ZINC000004048194 210107059 /nfs/dbraw/zinc/10/70/59/210107059.db2.gz WUJVQDZOXODOEV-ZRDIBKRKSA-N 0 0 342.898 3.931 50 10 EHCARN CCCCN(c1ccccc1)S(=O)(=O)c1cccc2nsnc21 ZINC000003620129 210067313 /nfs/dbraw/zinc/06/73/13/210067313.db2.gz SFKGPIDNJWYFAV-UHFFFAOYSA-N 0 0 347.465 3.687 50 10 EHCARN CCc1nnc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)s1 ZINC000003405364 210030158 /nfs/dbraw/zinc/03/01/58/210030158.db2.gz YEMZIXKGVDEQKX-UHFFFAOYSA-N 0 0 326.425 3.760 50 10 EHCARN Cc1ccccc1/C=C1/C(=N)N2N=C(CC(C)C)SC2=NC1=O ZINC000000121384 209435618 /nfs/dbraw/zinc/43/56/18/209435618.db2.gz SDFMLBXEOPYTCS-CRFANRBNSA-N 0 0 326.425 3.660 50 10 EHCARN Oc1ccc2c(c1)oc1c2nc2n[nH]cc2c1-c1ccc(O)c(O)c1 ZINC000217615810 241263851 /nfs/dbraw/zinc/26/38/51/241263851.db2.gz NCWJBYWQTOXNJD-UHFFFAOYSA-N 0 0 333.303 3.641 50 10 biogenic EHCARN Cc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c(C)n1-c1ccccc1 ZINC000020037159 212096516 /nfs/dbraw/zinc/09/65/16/212096516.db2.gz OFMJDTFRYSYGLK-VXBULBDJSA-N 0 0 348.431 3.871 50 10 EHCARN COc1cc(C=C2SC(Nc3ccc(C)cc3)=NC2=O)ccc1O ZINC000015723006 211845667 /nfs/dbraw/zinc/84/56/67/211845667.db2.gz RORJJIDQRPTJKK-YBEGLDIGSA-N 0 0 340.404 3.792 50 10 EHCARN O=Cc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000015011472 211788153 /nfs/dbraw/zinc/78/81/53/211788153.db2.gz VFFSLHRMNXJEBM-MHWRWJLKSA-N 0 0 339.441 3.901 50 10 EHCARN COc1ccc(-c2nc(/C=C3\SC(=S)N(C)C3=O)cs2)cc1 ZINC000014197644 211707244 /nfs/dbraw/zinc/70/72/44/211707244.db2.gz ALIDOQZQXCJMRI-GHXNOFRVSA-N 0 0 348.474 3.650 50 10 EHCARN COc1ccc(OC)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c1 ZINC000013787452 211639485 /nfs/dbraw/zinc/63/94/85/211639485.db2.gz ZMPAQMAOTMUSOH-GDNBJRDFSA-N 0 0 349.477 3.848 50 10 EHCARN Cc1cc(C2=NNC(=NC3CC3)SC2)c(C)n1-c1ccccc1F ZINC000005861414 210549776 /nfs/dbraw/zinc/54/97/76/210549776.db2.gz XYQOHLSKJGPUEZ-UHFFFAOYSA-N 0 0 342.443 3.792 50 10 aggregator EHCARN CC(C)CN1C(=O)C(=Cc2c[nH]nc2-c2ccccc2)SC1=S ZINC000004981888 210347719 /nfs/dbraw/zinc/34/77/19/210347719.db2.gz XVWNZWUBQWZRRP-ZSOIEALJSA-N 0 0 343.477 3.934 50 10 EHCARN COc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2C(C)=O)cc1 ZINC000000542999 563344187 /nfs/dbraw/zinc/34/41/87/563344187.db2.gz WDNLLVWWUFYGOQ-QGZVFWFLSA-N 0 0 344.798 3.752 50 10 EHCARN NN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000001006710 563368256 /nfs/dbraw/zinc/36/82/56/563368256.db2.gz YPDVXNOSIUUQHM-GHXNOFRVSA-N 0 0 336.825 3.675 50 10 EHCARN O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1Cc1ccco1 ZINC000001202837 563378886 /nfs/dbraw/zinc/37/88/86/563378886.db2.gz CVCZLYCVMGMLPQ-MDWZMJQESA-N 0 0 346.389 3.589 50 10 EHCARN O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=S)N1Cc1ccco1 ZINC000016671111 563820309 /nfs/dbraw/zinc/82/03/09/563820309.db2.gz SAYINLAWDRJORQ-JYRVWZFOSA-N 0 0 346.389 3.589 50 10 EHCARN O=[N+]([O-])c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)c(F)c1 ZINC000032923342 563825267 /nfs/dbraw/zinc/82/52/67/563825267.db2.gz GPHUQLVWKGQEBU-UHFFFAOYSA-N 0 0 338.342 3.904 50 10 EHCARN CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@@H]2[C@H]1c1ccccc1 ZINC000017348631 563843494 /nfs/dbraw/zinc/84/34/94/563843494.db2.gz YBYSZNOMGYWBBK-RBUKOAKNSA-N 0 0 345.398 3.923 50 10 EHCARN COc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1O ZINC000013476504 563876891 /nfs/dbraw/zinc/87/68/91/563876891.db2.gz BJJBRWPGAWMVOD-GXDHUFHOSA-N 0 0 343.429 3.807 50 10 EHCARN CCOC(=O)c1sc2nccc(NCc3ccccc3)c2c1N ZINC000000207000 563917142 /nfs/dbraw/zinc/91/71/42/563917142.db2.gz GTXBPBZPCJTIIW-UHFFFAOYSA-N 0 0 327.409 3.667 50 10 EHCARN Cc1cccc(C2=NN3C(=NC(=O)/C(=C\c4ccccc4)C3=N)S2)c1 ZINC000000380483 563991917 /nfs/dbraw/zinc/99/19/17/563991917.db2.gz ZMSLWEMNSPRMAH-GQECEEOXSA-N 0 0 346.415 3.662 50 10 EHCARN CCN(C)c1ccc(CN(C)CC(=O)Nc2cccc(C)c2C)cc1 ZINC000252539833 563997917 /nfs/dbraw/zinc/99/79/17/563997917.db2.gz OLZKSKSXOHNZQR-UHFFFAOYSA-N 0 0 339.483 3.830 50 10 EHCARN CCOc1ccccc1N1C(=O)/C(=C/c2ccccn2)SC1=S ZINC000005478101 564004535 /nfs/dbraw/zinc/00/45/35/564004535.db2.gz KYWRNDIITFPKOP-PTNGSMBKSA-N 0 0 342.445 3.886 50 10 EHCARN Cc1ccc(O)c(C2=NN[C@@H](c3cc(Br)ccc3O)C2)c1 ZINC000000950329 564053712 /nfs/dbraw/zinc/05/37/12/564053712.db2.gz UHACMSRMHDDGBU-CQSZACIVSA-N 0 0 347.212 3.607 50 10 EHCARN COc1ccc(N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000005836143 564056588 /nfs/dbraw/zinc/05/65/88/564056588.db2.gz IPCBGWWQZSRDSN-UHFFFAOYSA-N 0 0 347.802 3.583 50 10 EHCARN CC(C)C1=NN2C(=NC(=O)/C(=C/c3ccc(Cl)cc3)C2=N)S1 ZINC000005842566 564056618 /nfs/dbraw/zinc/05/66/18/564056618.db2.gz FFERDZJYHNFIJK-XXHWOJSFSA-N 0 0 332.816 3.615 50 10 EHCARN Cc1ccccc1/C=C1/C(=N)N2N=C(c3ccccc3)SC2=NC1=O ZINC000015800222 564075206 /nfs/dbraw/zinc/07/52/06/564075206.db2.gz LQUMHKUEXYWIMS-GQECEEOXSA-N 0 0 346.415 3.662 50 10 EHCARN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccco1 ZINC000075280303 564081467 /nfs/dbraw/zinc/08/14/67/564081467.db2.gz LVFPDMOONMSLBO-GZTJUZNOSA-N 0 0 337.375 3.774 50 10 EHCARN CCCCOC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000001750275 564087251 /nfs/dbraw/zinc/08/72/51/564087251.db2.gz XXNRUBCOJRWEOM-OWBHPGMISA-N 0 0 349.477 3.621 50 10 EHCARN O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1c1ccc(F)cc1 ZINC000016669774 564092788 /nfs/dbraw/zinc/09/27/88/564092788.db2.gz XXRMBLQUJNUNKQ-RIYZIHGNSA-N 0 0 347.392 3.643 50 10 EHCARN Cc1cc(C(=O)COc2nc(C(C)C)no2)c(C)n1-c1ccccc1 ZINC000170623089 564110385 /nfs/dbraw/zinc/11/03/85/564110385.db2.gz GGUNOMDJDDJNFU-UHFFFAOYSA-N 0 0 339.395 3.862 50 10 EHCARN Cc1cc(-c2csc(CC(N)=O)n2)c(C)n1-c1cccc(Cl)c1 ZINC000008042272 564162387 /nfs/dbraw/zinc/16/23/87/564162387.db2.gz RYWYPBWUFZPVSP-UHFFFAOYSA-N 0 0 345.855 3.899 50 10 EHCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1 ZINC000005023599 1042771260 /nfs/dbraw/zinc/77/12/60/1042771260.db2.gz MGSTVIFOTQFPCV-OQLLNIDSSA-N 0 0 325.324 3.611 50 10 EHCARN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=CNCC(C)C ZINC000100163518 219093031 /nfs/dbraw/zinc/09/30/31/219093031.db2.gz HXNYIJZTPNIRDT-ACCUITESSA-N 0 0 342.468 3.929 50 10 EHCARN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(F)cc1 ZINC000101673389 219155357 /nfs/dbraw/zinc/15/53/57/219155357.db2.gz RDIJRVDPYHHGIJ-MHWRWJLKSA-N 0 0 331.387 3.544 50 10 EHCARN O=C1NC(=Nc2ccccn2)SC1=Cc1ccc2ncccc2c1 ZINC000013725069 211622666 /nfs/dbraw/zinc/62/26/66/211622666.db2.gz SUPYROXBWYCTIS-RVDMUPIBSA-N 0 0 332.388 3.712 50 10 EHCARN O=C1NC(=S)S/C1=C\c1ccc(OCc2cccc(F)c2)cc1 ZINC000009762159 211122557 /nfs/dbraw/zinc/12/25/57/211122557.db2.gz RJMMPKUMSXDECB-DHDCSXOGSA-N 0 0 345.420 3.894 50 10 EHCARN COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)C(C)C)c1O ZINC000009260518 211059732 /nfs/dbraw/zinc/05/97/32/211059732.db2.gz KCXBJWMJLQOTJW-CQSZACIVSA-N 0 0 344.436 3.796 50 10 EHCARN COc1ccc(-n2c(C)cc(CNC(=O)NC3CCCC3)c2C)cc1 ZINC000009228668 211054850 /nfs/dbraw/zinc/05/48/50/211054850.db2.gz XGIGUEJOCURRAI-UHFFFAOYSA-N 0 0 341.455 3.845 50 10 EHCARN Cc1cc(/C=C2\SC(=N)NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000005027259 210367128 /nfs/dbraw/zinc/36/71/28/210367128.db2.gz CXVMCOVMLYCBSY-SXGWCWSVSA-N 0 0 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/nfs/dbraw/zinc/39/84/72/132398472.db2.gz DSCPGBZIYHCXSM-UHFFFAOYSA-N 0 0 344.499 3.842 50 10 EHCARN O=S(=O)(Nc1cc(Cl)c(O)c2ccccc12)c1ccccc1 ZINC000000134744 563240038 /nfs/dbraw/zinc/24/00/38/563240038.db2.gz PEJWCKUKFDSRPJ-UHFFFAOYSA-N 0 0 333.796 4.000 50 10 EHCARN CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(N(C)C)cc1 ZINC000000612940 563355745 /nfs/dbraw/zinc/35/57/45/563355745.db2.gz ZKKSKPADAMRBPP-IBGZPJMESA-N 0 0 325.387 3.589 50 10 EHCARN O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1ccc(F)cc1 ZINC000000969634 563366696 /nfs/dbraw/zinc/36/66/96/563366696.db2.gz MXGWZPKJPKOGCH-NTEUORMPSA-N 0 0 331.393 3.937 50 10 EHCARN COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OC(C)C ZINC000001189101 563378372 /nfs/dbraw/zinc/37/83/72/563378372.db2.gz JYZUIZIAIPOIDF-IZZDOVSWSA-N 0 0 343.857 3.625 50 10 EHCARN CC1(C)OC(=O)C(=CSCc2cccc(C(F)(F)F)c2)C(=O)O1 ZINC000001404311 563387748 /nfs/dbraw/zinc/38/77/48/563387748.db2.gz NPBMBYNCOHCVOY-UHFFFAOYSA-N 0 0 346.326 3.659 50 10 EHCARN CN(C)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCCC4)cc1 ZINC000002474185 563433432 /nfs/dbraw/zinc/43/34/32/563433432.db2.gz DNHHQXPRORSIHK-MRXNPFEDSA-N 0 0 327.453 3.547 50 10 biogenic EHCARN Cc1c(F)c(F)c(NNC(=S)Nc2ccccc2)c(F)c1F ZINC000002561549 563441607 /nfs/dbraw/zinc/44/16/07/563441607.db2.gz QOKJRRLFKWTZHQ-UHFFFAOYSA-N 0 0 329.322 3.865 50 10 EHCARN CCn1c(C)cc(/C=C2\NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C ZINC000034721245 563462413 /nfs/dbraw/zinc/46/24/13/563462413.db2.gz DCXQAFVCUDJSNQ-YBEGLDIGSA-N 0 0 343.814 3.876 50 10 EHCARN CCOc1ccc(/C=C2\SC(N3CCCC3)=NC2=O)c(OCC)c1 ZINC000013533290 563700400 /nfs/dbraw/zinc/70/04/00/563700400.db2.gz VPORTFBSZSMLQZ-WJDWOHSUSA-N 0 0 346.452 3.550 50 10 EHCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2[nH]cnc2c1 ZINC000010962416 563877281 /nfs/dbraw/zinc/87/72/81/563877281.db2.gz NOZMARFLBLNKHZ-UHFFFAOYSA-N 0 0 348.450 3.825 50 10 EHCARN Cc1cc(C(=O)Nc2cccnc2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000028270102 563901844 /nfs/dbraw/zinc/90/18/44/563901844.db2.gz XMMZWLLCFPEGHW-UHFFFAOYSA-N 0 0 349.390 3.513 50 10 EHCARN O=C1NC(=S)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 ZINC000013584536 563930494 /nfs/dbraw/zinc/93/04/94/563930494.db2.gz OOTQXCAZHQMSHA-GHXNOFRVSA-N 0 0 332.362 3.980 50 10 EHCARN CO[C@@H](C)C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000057995877 563936376 /nfs/dbraw/zinc/93/63/76/563936376.db2.gz BTSRRYPCNHWVPH-XOBRGWDASA-N 0 0 335.403 3.786 50 10 EHCARN CCCn1cc(C=C2C(=O)NC(=S)N(CC)C2=O)c2ccccc21 ZINC000017250170 564011432 /nfs/dbraw/zinc/01/14/32/564011432.db2.gz KVVKEDNANDGFDB-GXDHUFHOSA-N 0 0 341.436 3.538 50 10 EHCARN COc1ccc(C2=NN(C(=O)C(C)C)[C@H](c3ccccc3O)C2)cc1 ZINC000012779273 564069779 /nfs/dbraw/zinc/06/97/79/564069779.db2.gz VMLNYTBSGBSJTM-SFHVURJKSA-N 0 0 338.407 3.735 50 10 EHCARN O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1CCc1ccccc1 ZINC000001455264 564075002 /nfs/dbraw/zinc/07/50/02/564075002.db2.gz YHXJSLLNANMGLB-VBKFSLOCSA-N 0 0 341.457 3.836 50 10 EHCARN Cc1cc(C(=O)COC(=O)C2CCC2)c(C)n1-c1ccc(F)cc1 ZINC000006639263 564094889 /nfs/dbraw/zinc/09/48/89/564094889.db2.gz 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/nfs/dbraw/zinc/16/57/96/564165796.db2.gz XBAZOZGERIPDDZ-LDADJPATSA-N 0 0 348.406 3.672 50 10 EHCARN COc1ccc(/C=C2/SC(=S)N(CC(C)C)C2=O)cc1OC ZINC000033932235 568415103 /nfs/dbraw/zinc/41/51/03/568415103.db2.gz HGARRTVCLYHARZ-RIYZIHGNSA-N 0 0 337.466 3.561 50 10 EHCARN CCOC(=O)c1c2c(n3cc(C)cc(C)c13)C(=O)c1ccccc1C2=O ZINC000004671168 210243404 /nfs/dbraw/zinc/24/34/04/210243404.db2.gz IFZVPGORSHJGFG-UHFFFAOYSA-N 0 0 347.370 3.508 50 10 EHCARN CCOC(=O)c1ccc(NC(=O)c2ccc(/N=N/N(C)C)cc2)cc1 ZINC000004603380 210230744 /nfs/dbraw/zinc/23/07/44/210230744.db2.gz VMNBSTWGMNKOOW-QZQOTICOSA-N 0 0 340.383 3.676 50 10 EHCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C2\C=CC=CN2C)SC1=S ZINC000004545610 210219530 /nfs/dbraw/zinc/21/95/30/210219530.db2.gz LDBSCGUGVMZKKL-VCHHOEMESA-N 0 0 328.462 3.835 50 10 EHCARN Cc1ccc(C2=Nc3ncnn3[C@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000100711598 219105080 /nfs/dbraw/zinc/10/50/80/219105080.db2.gz ZLGUIXOUPKHWJQ-IBGZPJMESA-N 0 0 331.423 3.709 50 10 EHCARN O=C(c1ccccc1)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccco1 ZINC000004292023 210162842 /nfs/dbraw/zinc/16/28/42/210162842.db2.gz XDUPSAJJDQPMQV-SFHVURJKSA-N 0 0 332.359 3.977 50 10 EHCARN COc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)N=C2C)c(OC)c1 ZINC000003863387 210081034 /nfs/dbraw/zinc/08/10/34/210081034.db2.gz DFOSGGZAMUUHMN-LICLKQGHSA-N 0 0 340.354 3.649 50 10 EHCARN CC(C)c1nnc(NC(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000040104042 213264645 /nfs/dbraw/zinc/26/46/45/213264645.db2.gz RRRJNUXKVNMXBS-UHFFFAOYSA-N 0 0 345.472 3.583 50 10 EHCARN Cc1cc([C@@H]2CCCN2Cc2cc(Br)ccc2O)on1 ZINC000035511237 213035471 /nfs/dbraw/zinc/03/54/71/213035471.db2.gz FWHJWONUGMUFIO-ZDUSSCGKSA-N 0 0 337.217 3.788 50 10 EHCARN COc1ccc(OC)c(C2=C/C(=C/c3ccc(F)cc3)C(=O)O2)c1 ZINC000000432534 209597257 /nfs/dbraw/zinc/59/72/57/209597257.db2.gz OCCCNNQGLLKEQZ-LCYFTJDESA-N 0 0 326.323 3.824 50 10 EHCARN CCOC(=O)CCc1ccc2c(c1)N[C@H](c1ccc(N(C)C)cc1)O2 ZINC000000094519 209416845 /nfs/dbraw/zinc/41/68/45/209416845.db2.gz XUARWUVGOAVMQR-FQEVSTJZSA-N 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/nfs/dbraw/zinc/37/89/00/563378900.db2.gz NHPRBPJMWVHSNZ-ZSOIEALJSA-N 0 0 331.393 3.937 50 10 EHCARN COc1ccc(N2CCC(NC(=O)C3=C(Cl)CCCC3)CC2)cc1 ZINC000071888069 563386390 /nfs/dbraw/zinc/38/63/90/563386390.db2.gz KGZIDESUZXMWTN-UHFFFAOYSA-N 0 0 348.874 3.847 50 10 EHCARN Cc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)c(C)c1 ZINC000000189710 563594637 /nfs/dbraw/zinc/59/46/37/563594637.db2.gz BUAHBIAKRIDOHI-UHFFFAOYSA-N 0 0 327.405 3.963 50 10 EHCARN COc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OC ZINC000002707225 563603205 /nfs/dbraw/zinc/60/32/05/563603205.db2.gz HGARRTVCLYHARZ-ZSOIEALJSA-N 0 0 337.466 3.561 50 10 EHCARN COc1ccccc1/C=C1\SC(=S)N(Nc2ccccc2)C1=O ZINC000013769303 563722172 /nfs/dbraw/zinc/72/21/72/563722172.db2.gz XUMMMWMWBPLJCH-PTNGSMBKSA-N 0 0 342.445 3.924 50 10 EHCARN COc1ccc(N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 ZINC000025638673 563886745 /nfs/dbraw/zinc/88/67/45/563886745.db2.gz TXIRMQCMEVQHSJ-UHFFFAOYSA-N 0 0 338.238 3.724 50 10 EHCARN CCCN(Cc1ccccc1O)C(=O)Nc1cc(OC)ccc1OC ZINC000070037231 563903504 /nfs/dbraw/zinc/90/35/04/563903504.db2.gz FNLBTIKZCSTEAW-UHFFFAOYSA-N 0 0 344.411 3.854 50 10 EHCARN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000013603078 563924996 /nfs/dbraw/zinc/92/49/96/563924996.db2.gz NGZZHPSKKWCJJE-NVNXTCNLSA-N 0 0 340.766 3.875 50 10 EHCARN CC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O ZINC000000102694 563984119 /nfs/dbraw/zinc/98/41/19/563984119.db2.gz IXRHAWQJTWGCCU-INIZCTEOSA-N 0 0 326.783 3.819 50 10 EHCARN Cn1[n-]c(C(F)(F)F)c(C=Nc2ccc(Cl)cc2Cl)c1=O ZINC000100271360 563992063 /nfs/dbraw/zinc/99/20/63/563992063.db2.gz WLVWPNPQEAPAQA-ALCCZGGFSA-N 0 0 338.116 3.680 50 10 EHCARN CN1c2c(ccc3ccccc23)OC1=CC=C1SC(=S)NC1=O ZINC000104326270 564023830 /nfs/dbraw/zinc/02/38/30/564023830.db2.gz XGKFDMHGKJHVQU-MGDWIPCISA-N 0 0 340.429 3.542 50 10 EHCARN O=C(c1ccccc1F)N1C(=O)/C(=C\c2ccccc2)SC1=S ZINC000005515174 564077426 /nfs/dbraw/zinc/07/74/26/564077426.db2.gz OEXYECVZNVOLDZ-GXDHUFHOSA-N 0 0 343.404 3.867 50 10 EHCARN CCC(=O)N1N=C(c2ccc(OC)cc2O)C[C@@H]1c1cccs1 ZINC000252489547 564119443 /nfs/dbraw/zinc/11/94/43/564119443.db2.gz JTDHXYNPMKQGNS-CQSZACIVSA-N 0 0 330.409 3.550 50 10 EHCARN Cc1cc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)c(C)n1-c1ccccn1 ZINC000079448038 564138179 /nfs/dbraw/zinc/13/81/79/564138179.db2.gz XFNJOXNXGIIIJG-GOSISDBHSA-N 0 0 334.423 3.795 50 10 EHCARN O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21)[C@H]1CCCO1 ZINC000041978425 564174533 /nfs/dbraw/zinc/17/45/33/564174533.db2.gz PWOLFCUBWWATNE-CTNGQTDRSA-N 0 0 347.414 3.930 50 10 EHCARN CCOC(=O)CSC1=NC(=O)/C(=C\c2ccc(Cl)cc2)S1 ZINC000004472986 210197192 /nfs/dbraw/zinc/19/71/92/210197192.db2.gz ZAKMNXNKYSLRSY-YRNVUSSQSA-N 0 0 341.841 3.607 50 10 EHCARN CN(C)c1ccc(CNC(=O)[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000040156167 213274728 /nfs/dbraw/zinc/27/47/28/213274728.db2.gz YAAMZEPZCRRSNK-VQTJNVASSA-N 0 0 338.451 3.537 50 10 EHCARN C[C@@H](Nc1nc(C2CCCC2)nc2c1cnn2C)c1ccccc1O ZINC000072151374 216039789 /nfs/dbraw/zinc/03/97/89/216039789.db2.gz 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563778775 /nfs/dbraw/zinc/77/87/75/563778775.db2.gz BEKRKSUOVOLAGQ-UHFFFAOYSA-N 0 0 339.258 3.507 50 10 EHCARN CCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)SC1=S ZINC000017070935 563833453 /nfs/dbraw/zinc/83/34/53/563833453.db2.gz SSSSFTNXVSGFDB-NTEUORMPSA-N 0 0 337.466 3.704 50 10 EHCARN Cc1cc(C(=O)OCc2nc(C(C)C)no2)c(C)n1-c1ccccc1 ZINC000022750683 563864086 /nfs/dbraw/zinc/86/40/86/563864086.db2.gz WJGHUAIVDVJAGN-UHFFFAOYSA-N 0 0 339.395 3.958 50 10 EHCARN CCOc1ccc(C2=C/C(=C/c3ccc4c(c3)OCO4)C(=O)O2)cc1 ZINC000000199954 563988260 /nfs/dbraw/zinc/98/82/60/563988260.db2.gz NVOMONYCHSIWOB-DHDCSXOGSA-N 0 0 336.343 3.795 50 10 EHCARN CC(=O)c1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000101225437 564019281 /nfs/dbraw/zinc/01/92/81/564019281.db2.gz OZMBOCUWNNIOGL-UHFFFAOYSA-N 0 0 335.407 3.587 50 10 EHCARN COc1ccc(C2=C/C(=C\c3cc(OC)ccc3OC)C(=O)O2)cc1 ZINC000005959381 564057323 /nfs/dbraw/zinc/05/73/23/564057323.db2.gz VSKAFEVVHNYYFK-XNTDXEJSSA-N 0 0 338.359 3.694 50 10 EHCARN Cc1cc(C(=O)N2CC[C@@H](C)[C@H]2CO)c(C)n1-c1cccc(Cl)c1 ZINC000170604166 564109471 /nfs/dbraw/zinc/10/94/71/564109471.db2.gz QBRBLOQFPQRIGX-KZULUSFZSA-N 0 0 346.858 3.590 50 10 EHCARN COc1ccccc1NC[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000002878103 564117089 /nfs/dbraw/zinc/11/70/89/564117089.db2.gz HARQWJQPOOPMQM-INIZCTEOSA-N 0 0 329.440 3.845 50 10 EHCARN CC[C@H](C)N1C(=O)c2ccccc2N[C@H]1c1cccc(OC)c1O ZINC000007885515 564124387 /nfs/dbraw/zinc/12/43/87/564124387.db2.gz TXPMDZIDOUHKGS-KPZWWZAWSA-N 0 0 326.396 3.766 50 10 EHCARN CC1=CN(c2ccccc2)C(=O)[C@H]1/N=N/c1nc2ccccc2n1C ZINC000106589659 564129757 /nfs/dbraw/zinc/12/97/57/564129757.db2.gz IMBUJBUFPCUCCA-SIUCFOQUSA-N 0 0 331.379 3.976 50 10 EHCARN O=C1N=C(N2CCCCC2)S/C1=C\c1csc(-c2ccco2)n1 ZINC000096401873 564147089 /nfs/dbraw/zinc/14/70/89/564147089.db2.gz ODLGNCDNEXOCGG-LCYFTJDESA-N 0 0 345.449 3.859 50 10 EHCARN Cc1[nH]c2ccccc2c1C1=CCN(c2nccn(C3CC3)c2=O)CC1 ZINC000097037202 564149220 /nfs/dbraw/zinc/14/92/20/564149220.db2.gz 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Cc1nnc(NC(=O)/C=C\c2cc(C)n(-c3ccccc3)c2C)s1 ZINC000096860901 218894829 /nfs/dbraw/zinc/89/48/29/218894829.db2.gz MXBSOVJOXBZIQU-KTKRTIGZSA-N 0 0 338.436 3.906 50 10 EHCARN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(F)c1 ZINC000005092165 210387768 /nfs/dbraw/zinc/38/77/68/210387768.db2.gz OMJYLUDLVNGYMC-UHFFFAOYSA-N 0 0 345.329 3.853 50 10 EHCARN CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O ZINC000004918334 210323130 /nfs/dbraw/zinc/32/31/30/210323130.db2.gz QZDLUBSVTNNVIS-MHWRWJLKSA-N 0 0 342.420 3.856 50 10 EHCARN c1cc2n(c1)[C@@H](c1ccc(N3CCOCC3)cc1)Nc1ccccc1-2 ZINC000000158247 135645648 /nfs/dbraw/zinc/64/56/48/135645648.db2.gz ZWRLBXBINWBMRM-NRFANRHFSA-N 0 0 331.419 3.964 50 10 EHCARN O=C1/C(=C/c2ccccc2O)SC(=S)N1CCc1ccccc1 ZINC000001161401 563376328 /nfs/dbraw/zinc/37/63/28/563376328.db2.gz XVQTWGOXRGCDKD-VBKFSLOCSA-N 0 0 341.457 3.836 50 10 EHCARN CCN1C(=O)/C(=C/c2ccc(F)c(Br)c2)SC1=S ZINC000002119845 563423107 /nfs/dbraw/zinc/42/31/07/563423107.db2.gz VMPCRVOQEFXATB-POHAHGRESA-N 0 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/nfs/dbraw/zinc/11/85/97/564118597.db2.gz KRXUNBPMZUCCAX-HNNXBMFYSA-N 0 0 338.411 3.761 50 10 EHCARN CC(C)Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)NC1CC1 ZINC000008710100 564166605 /nfs/dbraw/zinc/16/66/05/564166605.db2.gz IBJZCBOOFJTGKA-UHFFFAOYSA-N 0 0 347.459 3.716 50 10 EHCARN