smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C1CCC(CNS(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000724445414 777308359 /nfs/dbraw/zinc/30/83/59/777308359.db2.gz WTNWXUMGXPCESK-UHFFFAOYSA-N 0 0 303.815 2.098 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)OC(=O)C1(C(F)(F)F)CC1 ZINC000744924199 784635179 /nfs/dbraw/zinc/63/51/79/784635179.db2.gz NYIYLXTZFPZUCS-JTQLQIEISA-N 0 0 305.296 2.461 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000745231622 784698556 /nfs/dbraw/zinc/69/85/56/784698556.db2.gz KLJMZGAYAYDFDK-GAFUQQFSSA-N 0 0 309.312 2.302 10 30 DEEERN N#Cc1cc(Br)cn(C[C@@H]2CC[C@H](C3CC3)O2)c1=O ZINC000715429479 792436470 /nfs/dbraw/zinc/43/64/70/792436470.db2.gz WFAUEEUHNIODKL-QWHCGFSZSA-N 0 0 323.190 2.440 10 30 DEEERN CC1(CCNc2ncc(Br)cc2C#N)OCCO1 ZINC000716054416 792555015 /nfs/dbraw/zinc/55/50/15/792555015.db2.gz LUHGFIQBEJOCRG-UHFFFAOYSA-N 0 0 312.167 2.281 10 30 DEEERN C#CC[C@@H](COC)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000716356834 792954330 /nfs/dbraw/zinc/95/43/30/792954330.db2.gz CKSLKNDLDUIPMW-NSHDSACASA-N 0 0 303.330 2.133 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(C)c(Br)s1 ZINC000316485637 802512391 /nfs/dbraw/zinc/51/23/91/802512391.db2.gz PXSPELODDIMBEQ-MRVPVSSYSA-N 0 0 304.209 2.486 10 30 DEEERN N#Cc1cccc(C(=O)NCc2cc3ccccc3[nH]c2=O)c1 ZINC000062182699 1074478636 /nfs/dbraw/zinc/47/86/36/1074478636.db2.gz LVCOHEFYGUAFPC-UHFFFAOYSA-N 0 0 303.321 2.330 10 30 DEEERN C#C[C@@H](CO)NC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000718172733 1088399599 /nfs/dbraw/zinc/39/95/99/1088399599.db2.gz MAUXVFGAVZDEJG-MFKMUULPSA-N 0 0 310.191 2.053 10 30 DEEERN C#CCN(CCC)S(=O)(=O)c1cc(F)c(Cl)c(CO)c1 ZINC000162073273 197542719 /nfs/dbraw/zinc/54/27/19/197542719.db2.gz JAECKFSVIWBCKG-UHFFFAOYSA-N 0 0 319.785 2.005 10 30 DEEERN CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1(C#N)CCC1 ZINC000076961924 185061800 /nfs/dbraw/zinc/06/18/00/185061800.db2.gz KJNFKFRSUFOYOT-LBPRGKRZSA-N 0 0 307.394 2.148 10 30 DEEERN N#Cc1ccc(NC(=O)c2ccc(Cl)nn2)c([N+](=O)[O-])c1 ZINC000096601100 185384274 /nfs/dbraw/zinc/38/42/74/185384274.db2.gz XLPWMEYXUMFTDJ-UHFFFAOYSA-N 0 0 303.665 2.162 10 30 DEEERN C=CCN(CCC)C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000162432752 197566749 /nfs/dbraw/zinc/56/67/49/197566749.db2.gz JVOVCXAOQDSDNP-UHFFFAOYSA-N 0 0 316.810 2.026 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N[C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000612506251 361845558 /nfs/dbraw/zinc/84/55/58/361845558.db2.gz ITSHRQLABIIQEA-KBPBESRZSA-N 0 0 322.449 2.263 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)Cc1cccc(N(C)C)c1 ZINC000612670538 361888403 /nfs/dbraw/zinc/88/84/03/361888403.db2.gz MZQHOEWYOHRWGL-KRWDZBQOSA-N 0 0 317.433 2.182 10 30 DEEERN C=CCOCCCC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000079441262 185171750 /nfs/dbraw/zinc/17/17/50/185171750.db2.gz KDVZCSXKAYOYKG-CQSZACIVSA-N 0 0 323.414 2.004 10 30 DEEERN C#CCNCC(=O)Nc1cc(Cl)ccc1Br ZINC000088122726 185240174 /nfs/dbraw/zinc/24/01/74/185240174.db2.gz NKCXVOVSLRADGJ-UHFFFAOYSA-N 0 0 301.571 2.264 10 30 DEEERN Cc1csc(CNC(=O)c2cccc(C#CCO)c2C)n1 ZINC000088443272 185251011 /nfs/dbraw/zinc/25/10/11/185251011.db2.gz DUBCQEZIUQMZHK-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN CCOC(=O)N=C(N)NC(=O)Cc1c(Cl)cccc1Cl ZINC000096941873 185393194 /nfs/dbraw/zinc/39/31/94/185393194.db2.gz NWKJFUNUXVXYGE-UHFFFAOYSA-N 0 0 318.160 2.328 10 30 in-man DEEERN CCc1nc2n(n1)CCC[C@@H]2NCc1ccc(OC)c(C#N)c1 ZINC000088757295 185264414 /nfs/dbraw/zinc/26/44/14/185264414.db2.gz RGISARYYARKEDK-AWEZNQCLSA-N 0 0 311.389 2.345 10 30 DEEERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000613163848 362024837 /nfs/dbraw/zinc/02/48/37/362024837.db2.gz VPDZHFZVDVSPJG-SOUVJXGZSA-N 0 0 301.394 2.058 10 30 DEEERN COC(=O)[C@@H](C)CSCC(=O)Nc1oc(C)c(C)c1C#N ZINC000090103086 185282181 /nfs/dbraw/zinc/28/21/81/185282181.db2.gz IKYRZORMJRNPPV-QMMMGPOBSA-N 0 0 310.375 2.249 10 30 DEEERN N#CCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000613133518 362013138 /nfs/dbraw/zinc/01/31/38/362013138.db2.gz UYQWBHWURDFCTN-KKUMJFAQSA-N 0 0 313.405 2.034 10 30 DEEERN C=CCN(C(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F)C1CC1 ZINC000613239087 362052711 /nfs/dbraw/zinc/05/27/11/362052711.db2.gz JUKSJDJAOWJKBE-VXGBXAGGSA-N 0 0 307.312 2.147 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(C)n(C2CCOCC2)c1C ZINC000613489996 362126558 /nfs/dbraw/zinc/12/65/58/362126558.db2.gz TXTNLZGTSPBWSW-CQSZACIVSA-N 0 0 306.406 2.123 10 30 DEEERN C[C@@H]1C[C@H]1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092423300 185317024 /nfs/dbraw/zinc/31/70/24/185317024.db2.gz ZROAYCYKZRAVFI-GALLPEHLSA-N 0 0 314.389 2.351 10 30 DEEERN CC(C)(C)[N@H+](CCC(=O)Nc1sccc1C#N)CC(=O)[O-] ZINC000092449262 185319244 /nfs/dbraw/zinc/31/92/44/185319244.db2.gz VCFVJXPXSAYWIS-UHFFFAOYSA-N 0 0 309.391 2.133 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(CO)c(Cl)c1 ZINC000613589303 362154841 /nfs/dbraw/zinc/15/48/41/362154841.db2.gz MORPZTBVVFCZDD-CQSZACIVSA-N 0 0 310.781 2.242 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000625349656 365740901 /nfs/dbraw/zinc/74/09/01/365740901.db2.gz DDDYCVWIXJZUNZ-ZDUSSCGKSA-N 0 0 308.403 2.232 10 30 DEEERN COCc1cncc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)c1 ZINC000613681077 362179520 /nfs/dbraw/zinc/17/95/20/362179520.db2.gz GUTHGVSDRGPGKE-LJQANCHMSA-N 0 0 321.380 2.409 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cncc(OC(C)C)c2)C1 ZINC000625353654 365743789 /nfs/dbraw/zinc/74/37/89/365743789.db2.gz FBMJHJVYOOLQBX-ZDUSSCGKSA-N 0 0 310.419 2.456 10 30 DEEERN CCc1nc(C(C)(C)NC(=O)c2c(F)cc(C#N)cc2F)no1 ZINC000441724255 529713122 /nfs/dbraw/zinc/71/31/22/529713122.db2.gz IBLSIALREZTBAH-UHFFFAOYSA-N 0 0 320.299 2.447 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1ccc(F)c(F)c1 ZINC000613852650 362232397 /nfs/dbraw/zinc/23/23/97/362232397.db2.gz JJCJSJXTONXMAL-OAHLLOKOSA-N 0 0 310.344 2.094 10 30 DEEERN C=C[C@@H](O)C(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000613865688 362235837 /nfs/dbraw/zinc/23/58/37/362235837.db2.gz IDJGIONSQMWVPB-GZMMTYOYSA-N 0 0 314.179 2.182 10 30 DEEERN CN(CCC#N)c1ccc(CN[C@@H]2CCCn3ncnc32)cc1 ZINC000176802647 529870295 /nfs/dbraw/zinc/87/02/95/529870295.db2.gz XZFHRSBUSPDUNF-MRXNPFEDSA-N 0 0 310.405 2.253 10 30 DEEERN CC(=O)NC1CN(C(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000190518484 282322573 /nfs/dbraw/zinc/32/25/73/282322573.db2.gz GGHGBWAAETTYRH-UHFFFAOYSA-N 0 0 319.364 2.186 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cn(C)nc1-c1ccco1 ZINC000614374704 362365260 /nfs/dbraw/zinc/36/52/60/362365260.db2.gz HOVCKDRYWZQTQM-BLLLJJGKSA-N 0 0 315.373 2.391 10 30 DEEERN C=CC[C@H](CC)NC(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000614396178 362370170 /nfs/dbraw/zinc/37/01/70/362370170.db2.gz HTJVMDDWUPCCPG-TUAOUCFPSA-N 0 0 309.328 2.441 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@]12C[C@H]1COC2(C)C ZINC000614722902 362445807 /nfs/dbraw/zinc/44/58/07/362445807.db2.gz WECUQMMFWBQQOE-UGSOOPFHSA-N 0 0 319.401 2.492 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1oc(C(C)C)nc1C ZINC000615158785 362547515 /nfs/dbraw/zinc/54/75/15/362547515.db2.gz VTAGPFWMUKTQHM-ZDUSSCGKSA-N 0 0 307.394 2.194 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(OC2CCC2)CC1 ZINC000616337063 362830373 /nfs/dbraw/zinc/83/03/73/362830373.db2.gz ZZXSZPDUOWQKBC-INIZCTEOSA-N 0 0 308.422 2.017 10 30 DEEERN Cn1ncc(C#N)c1NC(=O)c1cc2c(s1)CCSC2 ZINC000123831052 185846403 /nfs/dbraw/zinc/84/64/03/185846403.db2.gz YOBKUOSWBLVWBK-UHFFFAOYSA-N 0 0 304.400 2.395 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@H](C)OC2(CCCC2)C1 ZINC000616504970 362875792 /nfs/dbraw/zinc/87/57/92/362875792.db2.gz DJVJOJSUXWVTAH-ZFWWWQNUSA-N 0 0 308.422 2.017 10 30 DEEERN N#Cc1cccc([C@@H]2CCc3ccccc3N2S(N)(=O)=O)c1 ZINC000616595752 362895140 /nfs/dbraw/zinc/89/51/40/362895140.db2.gz NMPZMJWOAKOTTO-INIZCTEOSA-N 0 0 313.382 2.256 10 30 DEEERN CCCCCCNS(=O)(=O)c1ccc(C#CCCO)cc1 ZINC000070469062 190901042 /nfs/dbraw/zinc/90/10/42/190901042.db2.gz QJUYRTFOWFPESF-UHFFFAOYSA-N 0 0 309.431 2.279 10 30 DEEERN CC(C)[C@]1(C)CC(=O)N(Cc2ccc(C#CCO)s2)C1=O ZINC000071323771 190957941 /nfs/dbraw/zinc/95/79/41/190957941.db2.gz BJYXHKMDLZJUST-INIZCTEOSA-N 0 0 305.399 2.013 10 30 DEEERN N#Cc1cc(S(=O)(=O)N2CCc3cnccc32)ccc1Cl ZINC000084015604 192395649 /nfs/dbraw/zinc/39/56/49/192395649.db2.gz YQYOEMLJKFIAOW-UHFFFAOYSA-N 0 0 319.773 2.358 10 30 DEEERN CC[C@H](C#N)S(=O)(=O)c1ccc(N)cc1Br ZINC000148333470 186044215 /nfs/dbraw/zinc/04/42/15/186044215.db2.gz MRXVTXJNXLFQHG-MRVPVSSYSA-N 0 0 303.181 2.107 10 30 DEEERN Cc1ccc(C(=O)NCc2sccc2C#CCCO)n1C ZINC000148613255 186044987 /nfs/dbraw/zinc/04/49/87/186044987.db2.gz LRJXDCJQCPZBSR-UHFFFAOYSA-N 0 0 302.399 2.059 10 30 DEEERN N#Cc1cc(N)ccc1NS(=O)(=O)CCc1ccccc1 ZINC000149298967 186049032 /nfs/dbraw/zinc/04/90/32/186049032.db2.gz YHJAMGWNVZHCBG-UHFFFAOYSA-N 0 0 301.371 2.125 10 30 DEEERN C=C(C)[C@H](CO)N1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000616879686 362956626 /nfs/dbraw/zinc/95/66/26/362956626.db2.gz JBFYIGNKQCRNDR-OLZOCXBDSA-N 0 0 310.419 2.394 10 30 DEEERN Cn1cc(Cl)cc1C(=O)Nc1ccc(F)c(C#CCO)c1 ZINC000164325342 186155682 /nfs/dbraw/zinc/15/56/82/186155682.db2.gz OLVAVUQGRXKKCQ-UHFFFAOYSA-N 0 0 306.724 2.414 10 30 DEEERN Cc1cc(S(=O)(=O)Nc2cccc(C#N)c2)cc(N)c1F ZINC000164456322 186159458 /nfs/dbraw/zinc/15/94/58/186159458.db2.gz BLAVQWDSCQBAIE-UHFFFAOYSA-N 0 0 305.334 2.389 10 30 DEEERN C#CCCCCC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000179703344 186207988 /nfs/dbraw/zinc/20/79/88/186207988.db2.gz FNWQBKZNFSULDJ-AWEZNQCLSA-N 0 0 305.399 2.215 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000617044155 363007747 /nfs/dbraw/zinc/00/77/47/363007747.db2.gz JDOIOHRQKGZCOP-RBSFLKMASA-N 0 0 313.463 2.452 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cn(CC2(C)COC2)nn1 ZINC000617042982 363008076 /nfs/dbraw/zinc/00/80/76/363008076.db2.gz XWUJXVLECMANAY-KGLIPLIRSA-N 0 0 318.421 2.179 10 30 DEEERN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCc2sccc2[C@@H]1C ZINC000282990626 295822467 /nfs/dbraw/zinc/82/24/67/295822467.db2.gz MXFVJBZDWDASLO-QWRGUYRKSA-N 0 0 313.448 2.146 10 30 DEEERN Cn1cc(-c2ncc(C(=O)NCc3ccc(C#N)cc3)s2)cn1 ZINC000171937624 198011567 /nfs/dbraw/zinc/01/15/67/198011567.db2.gz YVYNPGJOVYTRJX-UHFFFAOYSA-N 0 0 323.381 2.345 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000617265040 363069934 /nfs/dbraw/zinc/06/99/34/363069934.db2.gz VEWGDQBWGBRFKE-CQSZACIVSA-N 0 0 312.373 2.005 10 30 DEEERN C=C(CN1C(=O)NC2(CCCCCCC2)C1=O)C(=O)OCC ZINC000172065520 198033628 /nfs/dbraw/zinc/03/36/28/198033628.db2.gz VGYBQHMIKWQXTG-UHFFFAOYSA-N 0 0 308.378 2.141 10 30 DEEERN CCCn1ccc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC000617433984 363134128 /nfs/dbraw/zinc/13/41/28/363134128.db2.gz OGAOKADHOZANLJ-UHFFFAOYSA-N 0 0 321.377 2.387 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@@H]2C[C@@H](C)n3ncnc32)cc1 ZINC000617449398 363143545 /nfs/dbraw/zinc/14/35/45/363143545.db2.gz NDHIRVWAWQVKST-IUODEOHRSA-N 0 0 312.373 2.208 10 30 DEEERN O=C(N[C@@H](Cc1c[nH]cn1)C(=O)N1CCCO1)C1CCCCC1 ZINC000328750845 539910686 /nfs/dbraw/zinc/91/06/86/539910686.db2.gz CFVDYJWJSHACQI-AWEZNQCLSA-N 0 0 320.393 2.022 10 30 DEEERN C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CCc2cncnc2C1 ZINC000329287590 539917136 /nfs/dbraw/zinc/91/71/36/539917136.db2.gz PGOBRGNUNYDJKV-CZUORRHYSA-N 0 0 318.421 2.344 10 30 DEEERN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000329019171 539913402 /nfs/dbraw/zinc/91/34/02/539913402.db2.gz LGCKTKBQQYMGQV-LQKXBSAESA-N 0 0 321.421 2.395 10 30 DEEERN CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCO[C@@H]2c2cccnc2)C1 ZINC000330061858 539933109 /nfs/dbraw/zinc/93/31/09/539933109.db2.gz OPVVPIBEQRTBHW-HRCADAONSA-N 0 0 317.389 2.127 10 30 DEEERN Cc1c(CC(=O)N[C@H]2CCC[C@@H]2C#N)nnn1-c1ccc(C)cc1 ZINC000332953800 539944888 /nfs/dbraw/zinc/94/48/88/539944888.db2.gz DLCWQWVWAAHMHL-ZBFHGGJFSA-N 0 0 323.400 2.235 10 30 DEEERN C=CCCNC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000617613922 363202521 /nfs/dbraw/zinc/20/25/21/363202521.db2.gz ALMSSWKUJILUGI-LBPRGKRZSA-N 0 0 304.415 2.454 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2ccc3c(c2)NC(=O)CO3)C1 ZINC000626233534 366117722 /nfs/dbraw/zinc/11/77/22/366117722.db2.gz ZCAFBBBGGRVCCK-NSHDSACASA-N 0 0 301.346 2.447 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)c2cnc3c(C)cccn3c2=O)C1 ZINC000617781296 363263712 /nfs/dbraw/zinc/26/37/12/363263712.db2.gz JMYHQMXXLWWUCO-CQSZACIVSA-N 0 0 311.385 2.431 10 30 DEEERN FC(F)(F)c1nnc2n1CCN(CC#Cc1ccccc1)C2 ZINC000192036814 282936910 /nfs/dbraw/zinc/93/69/10/282936910.db2.gz UWSKVWQQVMEUES-UHFFFAOYSA-N 0 0 306.291 2.164 10 30 DEEERN C=CC[C@H](C(=O)N1CCC[C@@](CO)(OC)C1)c1ccccc1 ZINC000617801525 363269146 /nfs/dbraw/zinc/26/91/46/363269146.db2.gz QXIXTPCFMFDQAM-FUHWJXTLSA-N 0 0 303.402 2.346 10 30 DEEERN COC(=O)CCCCCNC(=O)CCc1ccc(C#N)cc1 ZINC000024619776 354066665 /nfs/dbraw/zinc/06/66/65/354066665.db2.gz RYYCSSUXWIREAU-UHFFFAOYSA-N 0 0 302.374 2.340 10 30 DEEERN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CC(CC#N)C2)cc1 ZINC000617896595 363299210 /nfs/dbraw/zinc/29/92/10/363299210.db2.gz WBOYIJVUUVBPBO-AWEZNQCLSA-N 0 0 314.385 2.348 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC000618057736 363362733 /nfs/dbraw/zinc/36/27/33/363362733.db2.gz BIARBPIBLOFYIW-JCURWCKSSA-N 0 0 300.402 2.302 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)Nc1cnn(CCOC)c1 ZINC000058212802 354588048 /nfs/dbraw/zinc/58/80/48/354588048.db2.gz FUYGNYRGRWIBPW-UHFFFAOYSA-N 0 0 306.288 2.112 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CNC(=O)NC1CCCCC1 ZINC000058272311 354588743 /nfs/dbraw/zinc/58/87/43/354588743.db2.gz FEZWPMOXCFYRJC-UHFFFAOYSA-N 0 0 321.343 2.195 10 30 DEEERN Cc1nc2ccnn2c(C)c1CCC(=O)Nc1cc(C#N)ccn1 ZINC000618138074 363391922 /nfs/dbraw/zinc/39/19/22/363391922.db2.gz VNGBLQWTCOSXBD-UHFFFAOYSA-N 0 0 320.356 2.184 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000069344568 354861640 /nfs/dbraw/zinc/86/16/40/354861640.db2.gz MMMUIXAERTZLEI-NEPJUHHUSA-N 0 0 323.418 2.054 10 30 DEEERN C=CCC1(NC(=O)c2ccnn2C2CCOCC2)CCOCC1 ZINC000618251795 363432426 /nfs/dbraw/zinc/43/24/26/363432426.db2.gz SLPNNBXZIUXMRU-UHFFFAOYSA-N 0 0 319.405 2.090 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)C1 ZINC000626588314 366234680 /nfs/dbraw/zinc/23/46/80/366234680.db2.gz QGRZNWZPVITHTM-BLLLJJGKSA-N 0 0 315.373 2.341 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000076486812 355152092 /nfs/dbraw/zinc/15/20/92/355152092.db2.gz OIQYHKHDJJWGCM-UHFFFAOYSA-N 0 0 315.348 2.410 10 30 DEEERN CCOc1ccc(C#N)cc1NCc1nsc(N(C)C)n1 ZINC000179279022 356019224 /nfs/dbraw/zinc/01/92/24/356019224.db2.gz FBKMNJOJRCHNKF-UHFFFAOYSA-N 0 0 303.391 2.487 10 30 DEEERN C=CCNC(=O)CNC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000181154313 356073177 /nfs/dbraw/zinc/07/31/77/356073177.db2.gz ANMCWULXZXTDKS-NSHDSACASA-N 0 0 309.797 2.345 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)c1cnc2c(cnn2C)c1OC ZINC000181302445 356077054 /nfs/dbraw/zinc/07/70/54/356077054.db2.gz QTUJFQVTQHKINZ-LLVKDONJSA-N 0 0 302.378 2.452 10 30 DEEERN C=CCNC(=O)CNC(=O)c1ccccc1Cc1ccccc1 ZINC000181648980 356089170 /nfs/dbraw/zinc/08/91/70/356089170.db2.gz BFNIPCWTNLKRGH-UHFFFAOYSA-N 0 0 308.381 2.309 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)NCCCn1ccnn1 ZINC000183523810 356174504 /nfs/dbraw/zinc/17/45/04/356174504.db2.gz SCPSCOAXNFGHIN-UHFFFAOYSA-N 0 0 305.407 2.128 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccccc1OC1CCC1 ZINC000183514294 356174740 /nfs/dbraw/zinc/17/47/40/356174740.db2.gz AWSWYGSEKYUPBB-CQSZACIVSA-N 0 0 304.390 2.354 10 30 DEEERN N#Cc1cc(-c2nc(CC(=O)Nc3ccccc3)no2)ccn1 ZINC000193175725 356223523 /nfs/dbraw/zinc/22/35/23/356223523.db2.gz JVSDJFDHROQDNJ-UHFFFAOYSA-N 0 0 305.297 2.184 10 30 DEEERN CCn1c(C)nnc1CN(CCOC)Cc1ccc(C#N)cc1 ZINC000195119474 356249934 /nfs/dbraw/zinc/24/99/34/356249934.db2.gz UQTSENIHYGZYAK-UHFFFAOYSA-N 0 0 313.405 2.127 10 30 DEEERN CCOC(=O)c1cccc(I)c1C#N ZINC000238266074 356303063 /nfs/dbraw/zinc/30/30/63/356303063.db2.gz SWTMBHDEVWIDFF-UHFFFAOYSA-N 0 0 301.083 2.340 10 30 DEEERN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cc(C#N)cn2C)c1 ZINC000080999964 192211963 /nfs/dbraw/zinc/21/19/63/192211963.db2.gz ARLWSXWYCRTLPM-LLVKDONJSA-N 0 0 310.357 2.346 10 30 DEEERN CC#CCNC(=O)c1sccc1I ZINC000306149353 356402666 /nfs/dbraw/zinc/40/26/66/356402666.db2.gz AGIGWMHEMUWFTN-UHFFFAOYSA-N 0 0 305.140 2.106 10 30 DEEERN CC[C@@H](CC#N)Nc1ncc(I)cn1 ZINC000306213224 356403696 /nfs/dbraw/zinc/40/36/96/356403696.db2.gz LMFXFNOZGTXWLK-QMMMGPOBSA-N 0 0 302.119 2.185 10 30 DEEERN O=C(C#CBr)Nc1ccnc(Br)c1 ZINC000306715569 356405544 /nfs/dbraw/zinc/40/55/44/356405544.db2.gz ZXRSEFNNUCBXFN-UHFFFAOYSA-N 0 0 303.941 2.138 10 30 DEEERN COC(=O)c1cc(C#N)c(I)cc1C ZINC000306943404 356406543 /nfs/dbraw/zinc/40/65/43/356406543.db2.gz VOAHPUJIUXWOAO-UHFFFAOYSA-N 0 0 301.083 2.258 10 30 DEEERN CN(O)C(=O)c1cnc(Br)c(Br)c1 ZINC000307417073 356408639 /nfs/dbraw/zinc/40/86/39/356408639.db2.gz LLTSSWIOFVLEEP-UHFFFAOYSA-N 0 0 309.945 2.068 10 30 DEEERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)NCCn1cc(C)cn1 ZINC000328631287 356465155 /nfs/dbraw/zinc/46/51/55/356465155.db2.gz QTZJCMOWEVYZAJ-UKRRQHHQSA-N 0 0 317.393 2.142 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cnc(OC)c(OC)c1 ZINC000626717508 366287399 /nfs/dbraw/zinc/28/73/99/366287399.db2.gz NCGJOSSSXHZFDQ-SMDDNHRTSA-N 0 0 321.377 2.202 10 30 DEEERN Cc1ccc(C#N)cc1NS(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081692540 192313184 /nfs/dbraw/zinc/31/31/84/192313184.db2.gz WXCROJXBWUDZLY-UHFFFAOYSA-N 0 0 322.777 2.298 10 30 DEEERN C=CCNC(=O)Cc1noc(-c2sc([C@@H](C)OC)nc2C)n1 ZINC000350700422 356559546 /nfs/dbraw/zinc/55/95/46/356559546.db2.gz FEEGNXBVTULHML-SECBINFHSA-N 0 0 322.390 2.054 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000081673930 192310869 /nfs/dbraw/zinc/31/08/69/192310869.db2.gz CGOUROCZQTWFJR-XCBNKYQSSA-N 0 0 320.201 2.359 10 30 DEEERN C=CCOCCCNC(=O)c1cccc(NC(=O)NC2CC2)c1 ZINC000618521193 363514354 /nfs/dbraw/zinc/51/43/54/363514354.db2.gz PUEYNAZUZFXZDV-UHFFFAOYSA-N 0 0 317.389 2.293 10 30 DEEERN C=CCOCCCNC(=O)Cc1nc(-c2ccco2)oc1C ZINC000618522687 363514842 /nfs/dbraw/zinc/51/48/42/363514842.db2.gz QBUAQFWUDLSLBO-UHFFFAOYSA-N 0 0 304.346 2.494 10 30 DEEERN C=CCOCCCNC(=O)c1c(C)onc1-c1ccccn1 ZINC000618526873 363517661 /nfs/dbraw/zinc/51/76/61/363517661.db2.gz YWTJAZWKXDWPSJ-UHFFFAOYSA-N 0 0 301.346 2.368 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000618489174 363506253 /nfs/dbraw/zinc/50/62/53/363506253.db2.gz BDLNABLRVABFRM-NXOAAHMSSA-N 0 0 301.386 2.266 10 30 DEEERN CCN(c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1N ZINC000085915608 192539653 /nfs/dbraw/zinc/53/96/53/192539653.db2.gz KJWNOYRVKVBVDR-UHFFFAOYSA-N 0 0 301.371 2.356 10 30 DEEERN Cc1cc(S(=O)(=O)[N-]c2ccc3[nH+]ccn3c2)ccc1C#N ZINC000618601903 363544715 /nfs/dbraw/zinc/54/47/15/363544715.db2.gz KIGAJEHEBPBUPN-UHFFFAOYSA-N 0 0 312.354 2.315 10 30 DEEERN C=CCC1(c2nc(-c3cnc4cnccn43)no2)CCOCC1 ZINC000351307347 356650987 /nfs/dbraw/zinc/65/09/87/356650987.db2.gz ZUZMOSFWUGPEFT-UHFFFAOYSA-N 0 0 311.345 2.404 10 30 DEEERN C=CCC1(c2nc(-c3ccn(C)c(=O)c3)no2)CCOCC1 ZINC000351312212 356651479 /nfs/dbraw/zinc/65/14/79/356651479.db2.gz PTWCNBYLURWLTD-UHFFFAOYSA-N 0 0 301.346 2.060 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1Nc1ncc(I)cn1 ZINC000380203969 356669203 /nfs/dbraw/zinc/66/92/03/356669203.db2.gz VMRYMYMIEVHDOC-CBAPKCEASA-N 0 0 314.130 2.185 10 30 DEEERN N#Cc1cccc(NC(=O)C(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000048763915 283209767 /nfs/dbraw/zinc/20/97/67/283209767.db2.gz IUBFKXXACVKYMY-HNNXBMFYSA-N 0 0 321.336 2.137 10 30 DEEERN CC[C@H]1[C@@H](CO)CCN1c1ncc(Br)cc1C#N ZINC000386250921 356695418 /nfs/dbraw/zinc/69/54/18/356695418.db2.gz JCSMDCVYGITUGU-SKDRFNHKSA-N 0 0 310.195 2.313 10 30 DEEERN Cc1cc(S(=O)(=O)Nc2ccc(N(C)C)nc2)ccc1C#N ZINC000387089253 356701174 /nfs/dbraw/zinc/70/11/74/356701174.db2.gz GRCSTNPRKVGXKO-UHFFFAOYSA-N 0 0 316.386 2.129 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)CC2CCC(F)(F)CC2)C1=O ZINC000626848717 366345015 /nfs/dbraw/zinc/34/50/15/366345015.db2.gz HIVFXWIILWTVPP-CYBMUJFWSA-N 0 0 314.376 2.447 10 30 DEEERN C=CCC[C@H](NC(=O)c1cccc2oc(=O)[nH]c21)C(=O)OCC ZINC000578337272 356801501 /nfs/dbraw/zinc/80/15/01/356801501.db2.gz BFRRCXLPCDJNRG-NSHDSACASA-N 0 0 318.329 2.161 10 30 DEEERN C=CCCCCCNC(=O)N1CCSC[C@@H](C(=O)OC)C1 ZINC000580723431 357071999 /nfs/dbraw/zinc/07/19/99/357071999.db2.gz ZNQIJIYAFUUHBS-ZDUSSCGKSA-N 0 0 314.451 2.280 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cncn1-c1ccc(F)cc1 ZINC000581721971 357237620 /nfs/dbraw/zinc/23/76/20/357237620.db2.gz ZMAGECNFLCAZHZ-LRDDRELGSA-N 0 0 315.348 2.332 10 30 DEEERN CC[C@@H](C)CN(CC)C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586860990 357377914 /nfs/dbraw/zinc/37/79/14/357377914.db2.gz UPHKRYPMIMCRQV-GFCCVEGCSA-N 0 0 319.380 2.208 10 30 DEEERN C[C@H](Nc1c(F)cc(C#N)cc1F)C1(S(C)(=O)=O)CC1 ZINC000588072637 357391962 /nfs/dbraw/zinc/39/19/62/357391962.db2.gz XWRQOZGCZLASMG-QMMMGPOBSA-N 0 0 300.330 2.214 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cccc(C(=O)OC)c1C ZINC000590804797 357616051 /nfs/dbraw/zinc/61/60/51/357616051.db2.gz PGTLAZXUASXPJY-KGLIPLIRSA-N 0 0 304.346 2.247 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(CCC(=O)OCC)CC1 ZINC000590945612 357649161 /nfs/dbraw/zinc/64/91/61/357649161.db2.gz ZSUFBMKGJCMNPR-CABCVRRESA-N 0 0 324.421 2.095 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1ncn(CC(=O)OC(C)(C)C)n1 ZINC000592652669 357920168 /nfs/dbraw/zinc/92/01/68/357920168.db2.gz ICBQXBSNJXORPM-LLVKDONJSA-N 0 0 308.382 2.161 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592874954 357967370 /nfs/dbraw/zinc/96/73/70/357967370.db2.gz XOYOLSLAVOROIF-KRWDZBQOSA-N 0 0 311.422 2.284 10 30 DEEERN C=CCSCCNC(=O)Cc1c(C)nn(CC2CC2)c1C ZINC000593121034 358016014 /nfs/dbraw/zinc/01/60/14/358016014.db2.gz VUIUEOVTAGTDDX-UHFFFAOYSA-N 0 0 307.463 2.488 10 30 DEEERN CC#CCCCC(=O)N1C[C@@H](C(=O)OC)Oc2cc(F)ccc21 ZINC000593192165 358031673 /nfs/dbraw/zinc/03/16/73/358031673.db2.gz QQSGAMIEDLDDRI-HNNXBMFYSA-N 0 0 319.332 2.286 10 30 DEEERN CC#CCCCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000185072975 199804824 /nfs/dbraw/zinc/80/48/24/199804824.db2.gz BPZNEGRIWRGVOX-ZDUSSCGKSA-N 0 0 307.415 2.461 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000185203931 199824090 /nfs/dbraw/zinc/82/40/90/199824090.db2.gz PSNGDBRPZRQGNZ-AWEZNQCLSA-N 0 0 318.417 2.372 10 30 DEEERN C=CCCn1cc(CSCCC(=O)N2CCC[C@@H]2C)nn1 ZINC000594564698 358294920 /nfs/dbraw/zinc/29/49/20/358294920.db2.gz AEPJFZCCLOVATH-ZDUSSCGKSA-N 0 0 308.451 2.488 10 30 DEEERN C=CCCSCCNC(=O)N[C@@H](COC)C1CCOCC1 ZINC000595705205 358529237 /nfs/dbraw/zinc/52/92/37/358529237.db2.gz DVMOWTVYGLLWPL-AWEZNQCLSA-N 0 0 316.467 2.037 10 30 DEEERN C=CCCNC(=O)NCc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000595718290 358531621 /nfs/dbraw/zinc/53/16/21/358531621.db2.gz RUNXCUQDFZUKOF-UHFFFAOYSA-N 0 0 303.362 2.121 10 30 DEEERN CC(=O)N(C)c1ccc(NC(=O)N2CC[C@](C)(C#N)C2)cc1 ZINC000596704418 358743075 /nfs/dbraw/zinc/74/30/75/358743075.db2.gz BBPLJFZASPSSIS-MRXNPFEDSA-N 0 0 300.362 2.437 10 30 DEEERN C=CCCSCCNC(=O)C(=O)NC1CCC2(CC2)CC1 ZINC000597292475 358880941 /nfs/dbraw/zinc/88/09/41/358880941.db2.gz QVNXCOZEVPWQMC-UHFFFAOYSA-N 0 0 310.463 2.251 10 30 DEEERN C=C[C@H](C)NC(=O)C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000627408831 366519613 /nfs/dbraw/zinc/51/96/13/366519613.db2.gz KWGSQYKFPPMXMM-LBPRGKRZSA-N 0 0 302.374 2.210 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(C(=O)OC)oc1C ZINC000597609533 358962266 /nfs/dbraw/zinc/96/22/66/358962266.db2.gz KCQKMUASGOIRLE-FZMZJTMJSA-N 0 0 307.346 2.086 10 30 DEEERN C=CCN(CC=C)C(=O)N[C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000185690897 199878200 /nfs/dbraw/zinc/87/82/00/199878200.db2.gz QFTOWINHHUCZNL-HUUCEWRRSA-N 0 0 308.422 2.344 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(COC)c(OC)c1 ZINC000627451518 366527415 /nfs/dbraw/zinc/52/74/15/366527415.db2.gz HFSKRWXBPWRTJR-UHFFFAOYSA-N 0 0 320.389 2.205 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](C(C)=O)C(=O)OCC ZINC000597863365 359027578 /nfs/dbraw/zinc/02/75/78/359027578.db2.gz FDRZXEAUKWNLDX-KFWWJZLASA-N 0 0 309.406 2.396 10 30 DEEERN C=CCc1cc(C(=O)N[C@H](CO)CC=C)cc(OC)c1OC ZINC000185752902 199883994 /nfs/dbraw/zinc/88/39/94/199883994.db2.gz HRJHJFOWPUQPME-AWEZNQCLSA-N 0 0 305.374 2.099 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000185792431 199887865 /nfs/dbraw/zinc/88/78/65/199887865.db2.gz URVAYDOGORHEFW-LBPRGKRZSA-N 0 0 305.403 2.217 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000598149830 359108196 /nfs/dbraw/zinc/10/81/96/359108196.db2.gz WJJMKJMMPNULQE-PMUMKWKESA-N 0 0 323.433 2.405 10 30 DEEERN Cn1ccnc1[C@@H]1OCC[C@H]1Nc1ncc(C#N)cc1Cl ZINC000598915835 359356873 /nfs/dbraw/zinc/35/68/73/359356873.db2.gz BFIAYYAQPYMYMW-VXGBXAGGSA-N 0 0 303.753 2.282 10 30 DEEERN C=CC[C@H]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000599526807 359516558 /nfs/dbraw/zinc/51/65/58/359516558.db2.gz TZMZTAVXDXEYAU-LBPRGKRZSA-N 0 0 319.361 2.440 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H](CC(=O)OCC)C(F)(F)F)C1 ZINC000599806068 359600720 /nfs/dbraw/zinc/60/07/20/359600720.db2.gz OVYHGXXPBSUEKN-GHMZBOCLSA-N 0 0 322.327 2.478 10 30 DEEERN N#CCOc1cccc(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000089760096 192859598 /nfs/dbraw/zinc/85/95/98/192859598.db2.gz KFGZECGUYBUPJY-IAGOWNOFSA-N 0 0 314.385 2.301 10 30 DEEERN COC(=O)[C@@]1(C)CCCN1C(=O)CSc1ccc(C#N)cc1 ZINC000187701076 200147107 /nfs/dbraw/zinc/14/71/07/200147107.db2.gz ZELDBWAPZYBYPP-MRXNPFEDSA-N 0 0 318.398 2.204 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(F)cc1OC ZINC000627688568 366592671 /nfs/dbraw/zinc/59/26/71/366592671.db2.gz KZYZNSVAXLUBIX-UHFFFAOYSA-N 0 0 308.353 2.491 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@@H]2C[C@H](O)C23CCC3)cc1 ZINC000619069017 363691867 /nfs/dbraw/zinc/69/18/67/363691867.db2.gz GYYDAOCGTXGXCK-CVEARBPZSA-N 0 0 301.386 2.214 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](CC)NC(C)=O ZINC000601019115 359895810 /nfs/dbraw/zinc/89/58/10/359895810.db2.gz BGYNOONVKBRHND-OAHLLOKOSA-N 0 0 319.361 2.024 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000188717255 200293515 /nfs/dbraw/zinc/29/35/15/200293515.db2.gz RXXHHXRLWJJJFS-KRWDZBQOSA-N 0 0 314.389 2.112 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc3n[nH]cc3c(C)c2)C1 ZINC000627732938 366603246 /nfs/dbraw/zinc/60/32/46/366603246.db2.gz HNXDOFGGACJGPJ-LBPRGKRZSA-N 0 0 312.373 2.234 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ncc(Cl)cc2C)C1 ZINC000627733406 366603769 /nfs/dbraw/zinc/60/37/69/366603769.db2.gz UGKOBWCDHONYEG-NSHDSACASA-N 0 0 307.781 2.407 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(C(C)=O)c2)C1 ZINC000627733560 366603791 /nfs/dbraw/zinc/60/37/91/366603791.db2.gz XHWNYDUCFOHXHB-LBPRGKRZSA-N 0 0 318.348 2.391 10 30 DEEERN N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H](CO)Cc1ccccn1 ZINC000301567953 229750678 /nfs/dbraw/zinc/75/06/78/229750678.db2.gz QIDYDLOYDSXIJM-LBPRGKRZSA-N 0 0 312.329 2.125 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(C)cc1)C(=O)OC ZINC000601774233 360142759 /nfs/dbraw/zinc/14/27/59/360142759.db2.gz ZQDWRSXAEUDKET-DZGCQCFKSA-N 0 0 305.374 2.386 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCCc1csc(C)n1)C(=O)OC ZINC000601781801 360145823 /nfs/dbraw/zinc/14/58/23/360145823.db2.gz LCXFOWBIKHERHR-CYBMUJFWSA-N 0 0 310.419 2.398 10 30 DEEERN C=C(C)C[C@@H](NC(=O)C[C@H]1OCCc2ccccc21)C(=O)OC ZINC000601780968 360145945 /nfs/dbraw/zinc/14/59/45/360145945.db2.gz GGXOYGCYWKFUIB-HZPDHXFCSA-N 0 0 317.385 2.315 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1CCc2cccc(O)c21)C(=O)OC ZINC000601782012 360146859 /nfs/dbraw/zinc/14/68/59/360146859.db2.gz NHRLRBHJVAVEHS-OLZOCXBDSA-N 0 0 303.358 2.046 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccnn1C(CC)CC)C(=O)OC ZINC000601783506 360147465 /nfs/dbraw/zinc/14/74/65/360147465.db2.gz WVYNLFDRCQGSPM-CYBMUJFWSA-N 0 0 307.394 2.482 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1)C(=O)OC ZINC000601783720 360147791 /nfs/dbraw/zinc/14/77/91/360147791.db2.gz YLUNHLQUJDFFKY-GOEBONIOSA-N 0 0 317.385 2.231 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc2c(n1)CCCC2)C(=O)OC ZINC000601783919 360147876 /nfs/dbraw/zinc/14/78/76/360147876.db2.gz ZYUTYTAHIKUCPH-OAHLLOKOSA-N 0 0 302.374 2.198 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1)C(=O)OC ZINC000601784031 360147963 /nfs/dbraw/zinc/14/79/63/360147963.db2.gz GFTLQBDTYPBALS-ZNMIVQPWSA-N 0 0 303.358 2.120 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccnn1C(CC)CC)C(=O)OC ZINC000601783507 360147977 /nfs/dbraw/zinc/14/79/77/360147977.db2.gz WVYNLFDRCQGSPM-ZDUSSCGKSA-N 0 0 307.394 2.482 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H](OCC)c1ccccc1)C(=O)OC ZINC000601785309 360148663 /nfs/dbraw/zinc/14/86/63/360148663.db2.gz LRSGCFVCROTUPO-HUUCEWRRSA-N 0 0 305.374 2.388 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(C)n([C@@H](C)C2CC2)n1)C(=O)OC ZINC000601787729 360150548 /nfs/dbraw/zinc/15/05/48/360150548.db2.gz NPIIDYZQWYQFDQ-WFASDCNBSA-N 0 0 319.405 2.400 10 30 DEEERN C=CCCn1cc(CSCCn2c(C)ncc2[N+](=O)[O-])nn1 ZINC000601917771 360191043 /nfs/dbraw/zinc/19/10/43/360191043.db2.gz LEPBZJKWSVUNFL-UHFFFAOYSA-N 0 0 322.394 2.201 10 30 DEEERN C=CCn1cc(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)nn1 ZINC000619108379 363708289 /nfs/dbraw/zinc/70/82/89/363708289.db2.gz OWODFRYZLNBCEU-KGLIPLIRSA-N 0 0 318.421 2.320 10 30 DEEERN C=C(C)CS(=O)(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000189546200 200419017 /nfs/dbraw/zinc/41/90/17/200419017.db2.gz FSMJEEKSYVHOBE-UHFFFAOYSA-N 0 0 322.430 2.199 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC000602048567 360250368 /nfs/dbraw/zinc/25/03/68/360250368.db2.gz BOGJSKKQHJHJJB-NSHDSACASA-N 0 0 301.321 2.060 10 30 DEEERN C=CCCN(C)C(=O)NCc1c(OC)cc(OC)cc1OC ZINC000276072462 212661126 /nfs/dbraw/zinc/66/11/26/212661126.db2.gz KCGSACWXYDEENZ-UHFFFAOYSA-N 0 0 308.378 2.430 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1c(C)noc1C(F)F)C(=O)OC ZINC000602416346 360362465 /nfs/dbraw/zinc/36/24/65/360362465.db2.gz XAFXUFNZIIVUDY-MRVPVSSYSA-N 0 0 302.277 2.158 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CC[S@](=O)C[C@H](C)C1 ZINC000602392859 360355820 /nfs/dbraw/zinc/35/58/20/360355820.db2.gz SHBJEAMNNIGZJO-XCLFUZPHSA-N 0 0 300.468 2.389 10 30 DEEERN C=C(C)C[C@H](NCc1cc(C(=O)OCC)c(C)[nH]1)C(=O)OC ZINC000602732407 360523782 /nfs/dbraw/zinc/52/37/82/360523782.db2.gz BUEDFRMYXSTAPH-AWEZNQCLSA-N 0 0 308.378 2.097 10 30 DEEERN CC#CC[C@H](CO)NC(=O)c1cccc(F)c1OC(F)(F)F ZINC000627977575 366683086 /nfs/dbraw/zinc/68/30/86/366683086.db2.gz SYWQFFITUOTDIM-SECBINFHSA-N 0 0 319.254 2.228 10 30 DEEERN C=CCCCCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000628016829 366693450 /nfs/dbraw/zinc/69/34/50/366693450.db2.gz VROVIVSAEPWIAW-DOTOQJQBSA-N 0 0 315.417 2.464 10 30 DEEERN CC(=O)N1CCCN(C(=O)c2ccc(C#N)nc2)c2ccccc21 ZINC000610235251 361370408 /nfs/dbraw/zinc/37/04/08/361370408.db2.gz UOLILHQGTCCLAF-UHFFFAOYSA-N 0 0 320.352 2.357 10 30 DEEERN C[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccncc1 ZINC000610518529 361414791 /nfs/dbraw/zinc/41/47/91/361414791.db2.gz YATYKMMLLAGYHP-NSHDSACASA-N 0 0 319.361 2.174 10 30 DEEERN Cn1c2ccccc2s/c1=N\N=C1\c2ccccc2NC1=O ZINC000006368835 181334311 /nfs/dbraw/zinc/33/43/11/181334311.db2.gz NDUVXZHPMQWFFU-MNDPQUGUSA-N 0 0 308.366 2.497 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000628317485 366807391 /nfs/dbraw/zinc/80/73/91/366807391.db2.gz MAROFJCIDOWORL-VHSXEESVSA-N 0 0 306.328 2.162 10 30 DEEERN N#Cc1cccc(CC(=O)NCc2cc3c([nH]c2=O)CCC3)c1 ZINC000610521767 361416079 /nfs/dbraw/zinc/41/60/79/361416079.db2.gz HUPKRDYMCHDUPW-UHFFFAOYSA-N 0 0 307.353 2.006 10 30 DEEERN CC(C)[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CCO1 ZINC000611523142 361621907 /nfs/dbraw/zinc/62/19/07/361621907.db2.gz XFBATDUPXFDSSE-HNNXBMFYSA-N 0 0 305.353 2.264 10 30 DEEERN CCOC(COCCNC(=O)c1ccc(C#N)cc1C)OCC ZINC000194594038 201258842 /nfs/dbraw/zinc/25/88/42/201258842.db2.gz AGFXBOBVUMOJOO-UHFFFAOYSA-N 0 0 320.389 2.012 10 30 DEEERN COC[C@](C)(NCCOc1ccc(C#N)cc1)C(F)(F)F ZINC000611717849 361666642 /nfs/dbraw/zinc/66/66/42/361666642.db2.gz AMMREURWBRKUNM-ZDUSSCGKSA-N 0 0 302.296 2.494 10 30 DEEERN CCC[C@H](C#N)N1CCN(c2ncncc2Br)CC1 ZINC000090780671 192933272 /nfs/dbraw/zinc/93/32/72/192933272.db2.gz KRVJGXZFDCNVMQ-LLVKDONJSA-N 0 0 324.226 2.053 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CS[C@H](C)C1 ZINC000611961450 361714085 /nfs/dbraw/zinc/71/40/85/361714085.db2.gz IRFPGOSMWITYBU-SYQHCUMBSA-N 0 0 310.463 2.248 10 30 DEEERN C[C@H](CNS(=O)(=O)c1cccc(CC#N)c1)c1ccncc1 ZINC000619489405 363810597 /nfs/dbraw/zinc/81/05/97/363810597.db2.gz BRVGIXFMQYQPQC-CYBMUJFWSA-N 0 0 315.398 2.230 10 30 DEEERN CC(C)[C@H](C#N)N1CCN(C(=O)c2ccoc2C2CC2)CC1 ZINC000619611858 363839919 /nfs/dbraw/zinc/83/99/19/363839919.db2.gz RHOPZTSATUEWFV-HNNXBMFYSA-N 0 0 301.390 2.463 10 30 DEEERN C=CCCn1cc(C(=O)N2CC3(CCCC3)OC[C@H]2C)nn1 ZINC000619932163 363912945 /nfs/dbraw/zinc/91/29/45/363912945.db2.gz HPLOUDBYVCWQHO-CYBMUJFWSA-N 0 0 304.394 2.028 10 30 DEEERN C[C@H](CC#N)N(C)S(=O)(=O)NC1(C)CCC(F)(F)CC1 ZINC000619751189 363871638 /nfs/dbraw/zinc/87/16/38/363871638.db2.gz HDXRTIHHFHFYGR-SNVBAGLBSA-N 0 0 309.382 2.023 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(C)c(C(N)=O)c1CC ZINC000620306922 364014175 /nfs/dbraw/zinc/01/41/75/364014175.db2.gz STXOYUKQVWWZQE-TXEJJXNPSA-N 0 0 301.390 2.308 10 30 DEEERN C=C[C@H](CO)NC(=O)c1cnn(-c2ccccc2C)c1C(F)F ZINC000620591567 364087330 /nfs/dbraw/zinc/08/73/30/364087330.db2.gz AVEHOCNCZYWJIK-LLVKDONJSA-N 0 0 321.327 2.395 10 30 DEEERN CS(=O)(=O)[C@@H]1CSCCN1c1cccc(Cl)c1C#N ZINC000090925080 192948943 /nfs/dbraw/zinc/94/89/43/192948943.db2.gz SCQNKXGVJNRYAJ-GFCCVEGCSA-N 0 0 316.835 2.136 10 30 DEEERN C=CCCC(C)(C)NC(=O)c1cccc(S(N)(=O)=O)c1C ZINC000620857687 364181215 /nfs/dbraw/zinc/18/12/15/364181215.db2.gz FVFMWOOHFLFFHN-UHFFFAOYSA-N 0 0 310.419 2.117 10 30 DEEERN C=CCOCCCC(=O)N[C@H](c1ccncc1)C1(CO)CCC1 ZINC000621031608 364231023 /nfs/dbraw/zinc/23/10/23/364231023.db2.gz XBAONGNMOGDRGO-QGZVFWFLSA-N 0 0 318.417 2.384 10 30 DEEERN CC#CC[C@H](CO)NC(=O)N[C@@H](C(F)F)C1CCCCC1 ZINC000621499703 364427499 /nfs/dbraw/zinc/42/74/99/364427499.db2.gz CQHMMUKKDFYOJY-CHWSQXEVSA-N 0 0 302.365 2.274 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Cn2c(C)nc3ccccc3c2=O)C1 ZINC000628485805 366863802 /nfs/dbraw/zinc/86/38/02/366863802.db2.gz ULAIKOJTYAIQTA-CQSZACIVSA-N 0 0 311.385 2.130 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CCn2c3ccccc3n(C)c2=O)C1 ZINC000628484511 366864038 /nfs/dbraw/zinc/86/40/38/366864038.db2.gz OLPYPXZZJGJWCJ-CQSZACIVSA-N 0 0 313.401 2.155 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Cn2c3ccccc3n(CC)c2=O)C1 ZINC000628483965 366864068 /nfs/dbraw/zinc/86/40/68/366864068.db2.gz AZIBVCDHBGMEAU-AWEZNQCLSA-N 0 0 313.401 2.248 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CCN2C(=O)COc3ccccc32)C1 ZINC000628484033 366864154 /nfs/dbraw/zinc/86/41/54/366864154.db2.gz CFMCVJVBYKNHCZ-AWEZNQCLSA-N 0 0 314.385 2.227 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Cc2cccc(S(=O)(=O)CC)c2)C1 ZINC000628490517 366865163 /nfs/dbraw/zinc/86/51/63/366865163.db2.gz AGALKEZTYJAVKA-AWEZNQCLSA-N 0 0 321.442 2.447 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)c1nc2ccccc2o1 ZINC000622776831 364793439 /nfs/dbraw/zinc/79/34/39/364793439.db2.gz RWZQZQGNGUETMD-ZDUSSCGKSA-N 0 0 301.346 2.262 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000623472529 365043008 /nfs/dbraw/zinc/04/30/08/365043008.db2.gz SAKHUNUYABJZTP-CHWSQXEVSA-N 0 0 319.371 2.478 10 30 DEEERN C=C[C@H](C)NC(=O)NCc1cc(Br)cnc1OC ZINC000623746297 365160540 /nfs/dbraw/zinc/16/05/40/365160540.db2.gz BPWBCKLHRUDOBQ-QMMMGPOBSA-N 0 0 314.183 2.226 10 30 DEEERN C=CCCCN(C)C(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000091241197 193025062 /nfs/dbraw/zinc/02/50/62/193025062.db2.gz FTQCBYHRQYASFB-OAHLLOKOSA-N 0 0 324.446 2.380 10 30 DEEERN C=CCN1CC[C@@H](N(C)c2nc3ccccc3n3cncc23)C1=O ZINC000624180626 365322820 /nfs/dbraw/zinc/32/28/20/365322820.db2.gz BTTQGMOQACUTOB-OAHLLOKOSA-N 0 0 321.384 2.106 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)C1 ZINC000624182149 365322902 /nfs/dbraw/zinc/32/29/02/365322902.db2.gz SDFHVPMCRJHZGM-KFWWJZLASA-N 0 0 318.421 2.248 10 30 DEEERN C=CCN1CC[C@H](N(C)c2nc3ccccc3n3cncc23)C1=O ZINC000624180625 365323246 /nfs/dbraw/zinc/32/32/46/365323246.db2.gz BTTQGMOQACUTOB-HNNXBMFYSA-N 0 0 321.384 2.106 10 30 DEEERN C=CCn1cc(CNC(=O)NCC[C@H]2CCCC2(C)C)nn1 ZINC000624242192 365348920 /nfs/dbraw/zinc/34/89/20/365348920.db2.gz DXMVMKKXMRUTBX-CYBMUJFWSA-N 0 0 305.426 2.480 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000624461879 365429940 /nfs/dbraw/zinc/42/99/40/365429940.db2.gz UESVYFKGHUVVPR-ZDUSSCGKSA-N 0 0 303.410 2.275 10 30 DEEERN C=CC(C)(C)CCNC(=O)N(CCOC)Cc1ccnn1C ZINC000624463629 365430332 /nfs/dbraw/zinc/43/03/32/365430332.db2.gz RAYLBWPKPVXRDC-UHFFFAOYSA-N 0 0 308.426 2.180 10 30 DEEERN C=CC(C)(C)CCNC(=O)N(CC)[C@H](C)CS(=O)(=O)CC ZINC000624466106 365431313 /nfs/dbraw/zinc/43/13/13/365431313.db2.gz IKWDWRGOKIKBOH-CYBMUJFWSA-N 0 0 318.483 2.443 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCc1cccc(C(=O)NC)c1 ZINC000624467748 365431602 /nfs/dbraw/zinc/43/16/02/365431602.db2.gz FZKPKYQHLMIEST-UHFFFAOYSA-N 0 0 303.406 2.448 10 30 DEEERN CC1CCN(C(=O)NCc2cc(C#CCCO)cs2)CC1 ZINC000091992368 193138192 /nfs/dbraw/zinc/13/81/92/193138192.db2.gz BPPFZVHEOLQPCI-UHFFFAOYSA-N 0 0 306.431 2.424 10 30 DEEERN C=C(C)CN(C)C(=O)NC[C@@H]1CCN1Cc1ccc(OC)cc1 ZINC000624586429 365481296 /nfs/dbraw/zinc/48/12/96/365481296.db2.gz QOICYWBWBWOPIW-INIZCTEOSA-N 0 0 317.433 2.487 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](CCc1ccccc1)C(F)F ZINC000624619763 365493462 /nfs/dbraw/zinc/49/34/62/365493462.db2.gz LDVHFGFIEVKNPC-KBPBESRZSA-N 0 0 312.360 2.489 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N(C3CC3)C3CC3)cc2C1=O ZINC000628818281 366978753 /nfs/dbraw/zinc/97/87/53/366978753.db2.gz FYKYGXCCYRYUBG-UHFFFAOYSA-N 0 0 310.353 2.236 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1c2ccccc2C(=O)N1C ZINC000628954528 367025937 /nfs/dbraw/zinc/02/59/37/367025937.db2.gz LTOXVIKBSZVRFD-QAPCUYQASA-N 0 0 316.401 2.158 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2nc(C3CCOCC3)cs2)C1=O ZINC000630519354 367703283 /nfs/dbraw/zinc/70/32/83/367703283.db2.gz LOZMGAJQMKRSOX-NSHDSACASA-N 0 0 321.402 2.428 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cc(OC)c(C)c(OC)c2)C1=O ZINC000630522338 367704442 /nfs/dbraw/zinc/70/44/42/367704442.db2.gz XMCIQHNJMGTNIR-GFCCVEGCSA-N 0 0 304.346 2.403 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cc3c(cc2Cl)OCO3)C1=O ZINC000630510530 367697430 /nfs/dbraw/zinc/69/74/30/367697430.db2.gz HIAHFMFUWFVKTF-VIFPVBQESA-N 0 0 308.721 2.460 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cc3c(cc2Cl)OCO3)C1=O ZINC000630510525 367697717 /nfs/dbraw/zinc/69/77/17/367697717.db2.gz HIAHFMFUWFVKTF-SECBINFHSA-N 0 0 308.721 2.460 10 30 DEEERN C=C(C)COc1cccc(NC(=O)C2(N3CCOCC3)CC2)c1 ZINC000630906896 367906453 /nfs/dbraw/zinc/90/64/53/367906453.db2.gz ZGWIVTHBIADYPA-UHFFFAOYSA-N 0 0 316.401 2.445 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H](c2nccn2C)c2ccccc2)C1=O ZINC000630964462 367938964 /nfs/dbraw/zinc/93/89/64/367938964.db2.gz HRZARPPZXOYLJQ-HUUCEWRRSA-N 0 0 324.384 2.396 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCN2c3ccccc3C[C@@H]2C)C1=O ZINC000630969473 367942364 /nfs/dbraw/zinc/94/23/64/367942364.db2.gz ILMSYBZADJUMHY-ZFWWWQNUSA-N 0 0 313.401 2.324 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccc(OCCOC)cc2)C1=O ZINC000630969416 367942833 /nfs/dbraw/zinc/94/28/33/367942833.db2.gz DYVDZMUMYGVHLU-HNNXBMFYSA-N 0 0 318.373 2.098 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H]2COc3cc(F)cc(F)c32)C1=O ZINC000630979786 367948407 /nfs/dbraw/zinc/94/84/07/367948407.db2.gz VXPAYKRROWALOO-MNOVXSKESA-N 0 0 308.284 2.285 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@]2(C)OCCc3sccc32)C1=O ZINC000630980466 367948801 /nfs/dbraw/zinc/94/88/01/367948801.db2.gz AKBREKODSITBNX-LRDDRELGSA-N 0 0 320.414 2.423 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H](COC)c2cccc(OC)c2)C1=O ZINC000630989276 367953015 /nfs/dbraw/zinc/95/30/15/367953015.db2.gz ZTQLAWRKQNJKJE-CABCVRRESA-N 0 0 318.373 2.269 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2c(OC)cccc2OC)C1=O ZINC000630989042 367953131 /nfs/dbraw/zinc/95/31/31/367953131.db2.gz XZKNIYKBSMEWKV-GFCCVEGCSA-N 0 0 304.346 2.090 10 30 DEEERN CC(=O)c1cccc(C#N)c1OCC(=O)N1CCC(C)CC1 ZINC000631028495 367975471 /nfs/dbraw/zinc/97/54/71/367975471.db2.gz QPSUFIYNBJTMLO-UHFFFAOYSA-N 0 0 300.358 2.398 10 30 DEEERN C=C1CC(C)(C(=O)N(C)C[C@H](O)COCc2ccccc2)C1 ZINC000631606898 368308990 /nfs/dbraw/zinc/30/89/90/368308990.db2.gz ZETOQIKUNUHGOT-INIZCTEOSA-N 0 0 303.402 2.379 10 30 DEEERN C=CCOc1ccc(CNC(=O)C[C@H]2CCOC[C@H]2OC)cc1 ZINC000451671536 243286748 /nfs/dbraw/zinc/28/67/48/243286748.db2.gz ZJQZCMIBDPWTBG-NVXWUHKLSA-N 0 0 319.401 2.309 10 30 DEEERN C=CCOCCCC(=O)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000452478266 244321552 /nfs/dbraw/zinc/32/15/52/244321552.db2.gz LBCDTURKQAGFQT-FUHWJXTLSA-N 0 0 321.392 2.296 10 30 DEEERN CC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000093474632 193257702 /nfs/dbraw/zinc/25/77/02/193257702.db2.gz AOJLYPFAMFECBQ-AWEZNQCLSA-N 0 0 306.387 2.081 10 30 DEEERN CN[C@@]1(C#N)CCC[C@@H]1CCSc1ncnc2[nH]cnc21 ZINC000093581082 193270372 /nfs/dbraw/zinc/27/03/72/193270372.db2.gz KRIMMLZOSCPCDB-QMTHXVAHSA-N 0 0 302.407 2.117 10 30 DEEERN CCN[C@]1(C#N)CCC[C@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093747298 193300437 /nfs/dbraw/zinc/30/04/37/193300437.db2.gz UJNBFSXYPPNVNN-IINYFYTJSA-N 0 0 302.407 2.259 10 30 DEEERN Cc1ncc(CNC(=O)c2csc(C#CCCO)c2)s1 ZINC000093974487 193332509 /nfs/dbraw/zinc/33/25/09/193332509.db2.gz SLNTWTAYSLHGGK-UHFFFAOYSA-N 0 0 306.412 2.177 10 30 DEEERN COc1ccc(NC(=O)c2csc(C#CCCO)c2)cn1 ZINC000093973519 193332652 /nfs/dbraw/zinc/33/26/52/193332652.db2.gz GODBYRRGSGQAGY-UHFFFAOYSA-N 0 0 302.355 2.138 10 30 DEEERN Cc1csc(CNC(=O)c2csc(C#CCCO)c2)n1 ZINC000093974493 193333308 /nfs/dbraw/zinc/33/33/08/193333308.db2.gz OQNFBNOXPHDHSH-UHFFFAOYSA-N 0 0 306.412 2.177 10 30 DEEERN Cn1c(CO)cnc1Sc1nc(C(F)(F)F)ccc1C#N ZINC000094337206 193361117 /nfs/dbraw/zinc/36/11/17/193361117.db2.gz KLMNPJMCECVEOD-UHFFFAOYSA-N 0 0 314.292 2.349 10 30 DEEERN CSC1(C#N)CCN([C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094636526 193387131 /nfs/dbraw/zinc/38/71/31/193387131.db2.gz GNGDOUHTVSQNMA-QWHCGFSZSA-N 0 0 316.492 2.063 10 30 DEEERN OCC#Cc1ccc(O[C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000094408395 193367938 /nfs/dbraw/zinc/36/79/38/193367938.db2.gz IUUBWCQLSOLDNN-IRXDYDNUSA-N 0 0 304.411 2.464 10 30 DEEERN CC[C@H]1COCCN1C(=O)c1cc(C)c(C#CCCO)s1 ZINC000094533916 193377274 /nfs/dbraw/zinc/37/72/74/193377274.db2.gz VQOQWVQORXEZNH-ZDUSSCGKSA-N 0 0 307.415 2.041 10 30 DEEERN Cc1cc(C(=O)NCc2scnc2C)sc1C#CCO ZINC000094535365 193377323 /nfs/dbraw/zinc/37/73/23/193377323.db2.gz JROBAACBJHUVCT-UHFFFAOYSA-N 0 0 306.412 2.095 10 30 DEEERN C=CCOC[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cccc(C)n1 ZINC000096249935 193600326 /nfs/dbraw/zinc/60/03/26/193600326.db2.gz MEGQHDIILFXBRH-PVAVHDDUSA-N 0 0 316.401 2.212 10 30 DEEERN O=C(NCC#Cc1ccc(N2CCCCC2=O)cc1)C1CCC1 ZINC000096349453 193614897 /nfs/dbraw/zinc/61/48/97/193614897.db2.gz ZUJTUEPGQHEGTO-UHFFFAOYSA-N 0 0 310.397 2.471 10 30 DEEERN CNC(=O)c1ccccc1C#CCNC(=O)Cc1cccc(C)c1 ZINC000096348653 193615046 /nfs/dbraw/zinc/61/50/46/193615046.db2.gz SNUQINPCHBYNEN-UHFFFAOYSA-N 0 0 320.392 2.065 10 30 DEEERN N#CCc1cccc(NC(=O)C(=O)N2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000453675677 245249817 /nfs/dbraw/zinc/24/98/17/245249817.db2.gz RNDPCOCCZQKPCD-HUUCEWRRSA-N 0 0 311.385 2.340 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]2C2CC2)c1 ZINC000453837740 245319964 /nfs/dbraw/zinc/31/99/64/245319964.db2.gz CNMYRODTBWCQDN-OAHLLOKOSA-N 0 0 300.358 2.201 10 30 DEEERN C=CCCCN(C)C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 ZINC000266427299 205337019 /nfs/dbraw/zinc/33/70/19/205337019.db2.gz TXQGYMAEQNAQGS-UHFFFAOYSA-N 0 0 316.365 2.101 10 30 DEEERN CCS(=O)(=O)[C@@H]1CSCCN1c1ccc(C#N)c(F)c1 ZINC000160511618 197417771 /nfs/dbraw/zinc/41/77/71/197417771.db2.gz KNLKUDIKFFRFNQ-CYBMUJFWSA-N 0 0 314.407 2.011 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCc1ccc(NC(N)=O)cc1 ZINC000160268196 197396816 /nfs/dbraw/zinc/39/68/16/197396816.db2.gz NADCBWCWWRLNHL-UHFFFAOYSA-N 0 0 308.341 2.287 10 30 DEEERN C=C(C)CCNC(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000454737761 246118471 /nfs/dbraw/zinc/11/84/71/246118471.db2.gz OVEULVCLUKTHCP-CYBMUJFWSA-N 0 0 314.389 2.050 10 30 DEEERN C=CCc1cc(C(=O)N[C@H](CC)C(=O)OC)cc(OC)c1OC ZINC000267655240 206198138 /nfs/dbraw/zinc/19/81/38/206198138.db2.gz ABXFHBXCXGQHPH-CYBMUJFWSA-N 0 0 321.373 2.114 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCC1CCC(OC)CC1 ZINC000563821838 335029344 /nfs/dbraw/zinc/02/93/44/335029344.db2.gz XLZXGXOISSJLMC-UHFFFAOYSA-N 0 0 310.438 2.170 10 30 DEEERN CN(CC(C)(C)C#N)C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000458547004 248368651 /nfs/dbraw/zinc/36/86/51/248368651.db2.gz HTWMTUYPVBYGMG-ZDUSSCGKSA-N 0 0 317.389 2.408 10 30 DEEERN C=CCCOCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000458585550 248387437 /nfs/dbraw/zinc/38/74/37/248387437.db2.gz ILCSBMNDTYCXCH-XHSDSOJGSA-N 0 0 310.438 2.304 10 30 DEEERN C=CCN(C)C(=O)C(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000460010334 248688217 /nfs/dbraw/zinc/68/82/17/248688217.db2.gz JYMFRZRDDGXJPJ-OAHLLOKOSA-N 0 0 304.365 2.004 10 30 DEEERN C#CCOc1ccccc1CNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000268173180 206514622 /nfs/dbraw/zinc/51/46/22/206514622.db2.gz TZDKWHYONDYGDU-AWEZNQCLSA-N 0 0 309.369 2.158 10 30 DEEERN CCN(CC)C(=O)N1CCN([C@@H](C#N)c2ccccc2F)CC1 ZINC000041257839 183181301 /nfs/dbraw/zinc/18/13/01/183181301.db2.gz JTJBTMARGOIQLW-INIZCTEOSA-N 0 0 318.396 2.470 10 30 DEEERN CC(C)C[C@@H](C)N(C)S(=O)(=O)c1ccccc1C#CCO ZINC000042598171 183289551 /nfs/dbraw/zinc/28/95/51/183289551.db2.gz TZOZHTHJTVCWLX-CQSZACIVSA-N 0 0 309.431 2.086 10 30 DEEERN CC(C)CN(CCC#N)S(=O)(=O)c1ccc([C@@H](C)O)cc1 ZINC000043423109 183361675 /nfs/dbraw/zinc/36/16/75/183361675.db2.gz ADOWDHSSJCBGRD-CYBMUJFWSA-N 0 0 310.419 2.300 10 30 DEEERN CS(=O)(=O)c1ccc(CNc2ccc(C#N)cc2N)cc1 ZINC000045173589 183488048 /nfs/dbraw/zinc/48/80/48/183488048.db2.gz PSPIGINSIAVCDM-UHFFFAOYSA-N 0 0 301.371 2.156 10 30 DEEERN C[C@H]1OCC[C@@H]1N(C)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000159415015 197352416 /nfs/dbraw/zinc/35/24/16/197352416.db2.gz VYHGVLJGGWPFAV-SKDRFNHKSA-N 0 0 314.794 2.010 10 30 DEEERN CC(C)(C)CN(CCC#N)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000109812092 194290379 /nfs/dbraw/zinc/29/03/79/194290379.db2.gz IYWCBEJUXQHEHH-JKSUJKDBSA-N 0 0 321.465 2.418 10 30 DEEERN C=CCN[C@@H](C(=O)OCC)c1cc(Cl)c2c(c1)OCCO2 ZINC000051961766 183843125 /nfs/dbraw/zinc/84/31/25/183843125.db2.gz YBJHNQNURZAKEO-CYBMUJFWSA-N 0 0 311.765 2.491 10 30 DEEERN CCCCCC#C[C@](C)(O)C[NH2+][C@@H](CSCC)C(=O)[O-] ZINC000059409713 184138712 /nfs/dbraw/zinc/13/87/12/184138712.db2.gz FOXPWAMMPYFZLF-ZFWWWQNUSA-N 0 0 301.452 2.117 10 30 DEEERN C[C@H](NS(=O)(=O)c1ccc(N)cc1C#N)c1ccsc1 ZINC000061360490 184169067 /nfs/dbraw/zinc/16/90/67/184169067.db2.gz NWBFMKFRYXDQQU-VIFPVBQESA-N 0 0 307.400 2.241 10 30 DEEERN N#Cc1cccc(C(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000062573636 184243891 /nfs/dbraw/zinc/24/38/91/184243891.db2.gz QXJAIFLYMSJEGS-OAHLLOKOSA-N 0 0 319.364 2.341 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CNC(=O)CCC ZINC000063250320 184279875 /nfs/dbraw/zinc/27/98/75/184279875.db2.gz VPFDIUFKTCMQLC-UHFFFAOYSA-N 0 0 319.361 2.026 10 30 DEEERN O=C(NCCC(F)(F)F)c1ccc(F)cc1C#CCCO ZINC000063102079 184271049 /nfs/dbraw/zinc/27/10/49/184271049.db2.gz CYSPJBRZFFLUDN-UHFFFAOYSA-N 0 0 303.255 2.242 10 30 DEEERN C=C(C)COc1ccc(NCC(=O)NC[C@H]2CCCO2)cc1 ZINC000066062043 184386638 /nfs/dbraw/zinc/38/66/38/184386638.db2.gz JTMGDLZAIVNPFC-MRXNPFEDSA-N 0 0 304.390 2.349 10 30 DEEERN C=CCN(CC=C)C(=O)CNc1cccc(C(=O)NC(C)C)c1 ZINC000066083704 184388114 /nfs/dbraw/zinc/38/81/14/184388114.db2.gz AOGYMNVZDJZBGT-UHFFFAOYSA-N 0 0 315.417 2.437 10 30 DEEERN CN[C@](C)(C#N)C[C@H](C)Sc1ccc(S(C)(=O)=O)cc1 ZINC000068627153 184493872 /nfs/dbraw/zinc/49/38/72/184493872.db2.gz KAQIVYJNYDBOKZ-FZMZJTMJSA-N 0 0 312.460 2.462 10 30 DEEERN C[C@@]1(C(=O)N[C@@H](C#N)C2CC2)CCCN1C(=O)c1ccccc1 ZINC000161834061 197522283 /nfs/dbraw/zinc/52/22/83/197522283.db2.gz XOQZBCQLXKAKMG-YJBOKZPZSA-N 0 0 311.385 2.100 10 30 DEEERN N#C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)C1CC1 ZINC000161856248 197524001 /nfs/dbraw/zinc/52/40/01/197524001.db2.gz LFUWUTARFIZAMZ-STQMWFEESA-N 0 0 317.414 2.161 10 30 DEEERN CSc1nc(C2CC2)cc(C(=O)N(C)CCCO)c1C#N ZINC000442998433 533074583 /nfs/dbraw/zinc/07/45/83/533074583.db2.gz JMFYSTVRRRFECP-UHFFFAOYSA-N 0 0 305.403 2.007 10 30 DEEERN CC(C)c1ccc(CCNC(=O)[C@H](C)n2cnc(C#N)n2)cc1 ZINC000540603913 285121541 /nfs/dbraw/zinc/12/15/41/285121541.db2.gz BBVJKSICVGMUFN-ZDUSSCGKSA-N 0 0 311.389 2.193 10 30 DEEERN C#CCOc1ccc(C(=O)NCCCCCC(=O)OC)cc1 ZINC000158685756 197293621 /nfs/dbraw/zinc/29/36/21/197293621.db2.gz WXVPXRAVBKTQSM-UHFFFAOYSA-N 0 0 303.358 2.162 10 30 DEEERN C[C@@H](C(=O)N(C1CC1)[C@H]1CCc2ccccc21)n1cnc(C#N)n1 ZINC000540958296 285145652 /nfs/dbraw/zinc/14/56/52/285145652.db2.gz OODALIMXPRXOND-LRDDRELGSA-N 0 0 321.384 2.389 10 30 DEEERN CC[C@H]1CN(C(=O)c2cc(C)cc(C#CCO)c2)CCS1 ZINC000157976174 197232556 /nfs/dbraw/zinc/23/25/56/197232556.db2.gz MYLIKARRIFEUMZ-INIZCTEOSA-N 0 0 303.427 2.306 10 30 DEEERN CNc1nc(Nc2cc(C#N)ccc2Cl)nc(N(C)C)n1 ZINC000157613807 197201554 /nfs/dbraw/zinc/20/15/54/197201554.db2.gz HECUNDQQBYRVGE-UHFFFAOYSA-N 0 0 303.757 2.248 10 30 DEEERN C#CCn1ncc(N[C@@H](C)CC2CC2)c(Br)c1=O ZINC000157562656 197196982 /nfs/dbraw/zinc/19/69/82/197196982.db2.gz ZHSOBBPGYIGMEP-VIFPVBQESA-N 0 0 310.195 2.240 10 30 DEEERN O=C(NC[C@@H]1CCCCS1)c1cc(F)ccc1C#CCO ZINC000156559183 197123884 /nfs/dbraw/zinc/12/38/84/197123884.db2.gz YXHYYBRJMMBYQQ-AWEZNQCLSA-N 0 0 307.390 2.185 10 30 DEEERN O=C(NCc1cc(C#CCCO)cs1)[C@H]1CCCCS1 ZINC000156275564 197100485 /nfs/dbraw/zinc/10/04/85/197100485.db2.gz PBKDJIQWHLYFNU-CQSZACIVSA-N 0 0 309.456 2.384 10 30 DEEERN C=CCO[C@@H]1CN(Cc2cccnc2OC)[C@H]2CCCO[C@@H]12 ZINC000247882927 257115607 /nfs/dbraw/zinc/11/56/07/257115607.db2.gz QOTHVXOXYFNIGK-ARFHVFGLSA-N 0 0 304.390 2.025 10 30 DEEERN N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2ncccn2)c1 ZINC000503720920 257208622 /nfs/dbraw/zinc/20/86/22/257208622.db2.gz XQKSLYCJCSEQCJ-IAGOWNOFSA-N 0 0 305.385 2.201 10 30 DEEERN N#CC1(NC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)CCCC1 ZINC000069703139 184839089 /nfs/dbraw/zinc/83/90/89/184839089.db2.gz ZEZLHRCECBDCOK-CQSZACIVSA-N 0 0 319.311 2.410 10 30 DEEERN COc1cc(OC)c(C(=O)NC2(C#N)CCCC2)cc1OC ZINC000121950615 195380162 /nfs/dbraw/zinc/38/01/62/195380162.db2.gz DKHXEQRVKJLDMR-UHFFFAOYSA-N 0 0 304.346 2.279 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000124510736 195648990 /nfs/dbraw/zinc/64/89/90/195648990.db2.gz AOQWXWNGYRMMQG-HNNXBMFYSA-N 0 0 309.373 2.011 10 30 DEEERN CSC[C@H](C)N(C)C(=O)c1cc(F)ccc1C#CCCO ZINC000124519057 195650879 /nfs/dbraw/zinc/65/08/79/195650879.db2.gz TVNZURQMZWUODZ-LBPRGKRZSA-N 0 0 309.406 2.383 10 30 DEEERN C=CCCOCCNC(=O)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000126180096 195817561 /nfs/dbraw/zinc/81/75/61/195817561.db2.gz AIPMCDRONQWWAK-DZGCQCFKSA-N 0 0 304.390 2.443 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000126622825 195846422 /nfs/dbraw/zinc/84/64/22/195846422.db2.gz ANEXDJFQKJZODW-UHFFFAOYSA-N 0 0 306.325 2.148 10 30 DEEERN C[C@@H](CC#N)N(C)S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000192626873 533400811 /nfs/dbraw/zinc/40/08/11/533400811.db2.gz HHGKZGPHAZMGGO-NSHDSACASA-N 0 0 308.403 2.323 10 30 DEEERN Cc1nc(-c2ncccn2)sc1C(=O)Nc1cc(C#N)ccn1 ZINC000357404073 133075900 /nfs/dbraw/zinc/07/59/00/133075900.db2.gz VZNATHBSTKFANJ-UHFFFAOYSA-N 0 0 322.353 2.428 10 30 DEEERN COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1sccc1C#N ZINC000357681986 133093281 /nfs/dbraw/zinc/09/32/81/133093281.db2.gz OPEMHBUSZPGFKO-NHYWBVRUSA-N 0 0 306.387 2.471 10 30 DEEERN Cn1[nH]c(-c2ccccc2)nc1=NC(=O)c1sccc1C#N ZINC000361996685 133204117 /nfs/dbraw/zinc/20/41/17/133204117.db2.gz QSIOALQLZVAJDI-UHFFFAOYSA-N 0 0 309.354 2.089 10 30 DEEERN Cc1cc(C(F)(F)F)ncc1NC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000362302251 133222935 /nfs/dbraw/zinc/22/29/35/133222935.db2.gz XPAXHSGJMFBZHT-QMMMGPOBSA-N 0 0 324.266 2.072 10 30 DEEERN CC(C)COCCC(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000362313324 133223254 /nfs/dbraw/zinc/22/32/54/133223254.db2.gz CKDIGFNFXPCKFZ-UHFFFAOYSA-N 0 0 313.361 2.140 10 30 DEEERN COc1ccc(-n2ccc(CNc3ccncc3C#N)n2)cc1 ZINC000368667810 133282484 /nfs/dbraw/zinc/28/24/84/133282484.db2.gz SWGONIOIUMOBRK-UHFFFAOYSA-N 0 0 305.341 2.182 10 30 DEEERN Cn1ccnc1[C@@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000372502074 133356187 /nfs/dbraw/zinc/35/61/87/133356187.db2.gz JAZXEEFVTRJKTR-OAHLLOKOSA-N 0 0 320.396 2.339 10 30 DEEERN N#Cc1ccsc1C(=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000373601934 133397237 /nfs/dbraw/zinc/39/72/37/133397237.db2.gz QJIZRXSHDMWFHS-KRWDZBQOSA-N 0 0 323.377 2.356 10 30 DEEERN N#Cc1ccc(OCCNC(=O)Nc2ccc(F)cn2)cc1 ZINC000123402866 144699559 /nfs/dbraw/zinc/69/95/59/144699559.db2.gz MDGOGWLPMRCVJN-UHFFFAOYSA-N 0 0 300.293 2.293 10 30 DEEERN C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000189222863 145024134 /nfs/dbraw/zinc/02/41/34/145024134.db2.gz RFEXZFPOUKBHBV-CYBMUJFWSA-N 0 0 301.390 2.258 10 30 DEEERN Cc1csc2c1ncnc2NCCCc1[nH]nc(N)c1C#N ZINC000189967726 145036633 /nfs/dbraw/zinc/03/66/33/145036633.db2.gz XPMYGRVEHBJPNI-UHFFFAOYSA-N 0 0 313.390 2.221 10 30 DEEERN Cc1noc(C)c1S(=O)(=O)N(C)Cc1ccc(C#N)c(F)c1 ZINC000189983747 145037172 /nfs/dbraw/zinc/03/71/72/145037172.db2.gz CIOBTOPSRFOVLP-UHFFFAOYSA-N 0 0 323.349 2.123 10 30 DEEERN CCOC[C@H](NC(=O)NCCOc1ccc(C#N)cc1)C(C)C ZINC000190877637 145049326 /nfs/dbraw/zinc/04/93/26/145049326.db2.gz JXHFGLSHFVMTHJ-INIZCTEOSA-N 0 0 319.405 2.297 10 30 DEEERN COc1cccc(Cl)c1CNC(=O)c1cc(C#N)cn1C ZINC000191131910 145053312 /nfs/dbraw/zinc/05/33/12/145053312.db2.gz AGJMKKXNHNBJPX-UHFFFAOYSA-N 0 0 303.749 2.489 10 30 DEEERN Cc1cc(NC(=O)CN(C)Cc2ccc(C#N)c(F)c2)no1 ZINC000191923087 145067708 /nfs/dbraw/zinc/06/77/08/145067708.db2.gz RXVLMKPHFQSLIB-UHFFFAOYSA-N 0 0 302.309 2.064 10 30 DEEERN N#Cc1cc(C(=O)NCc2ccccc2OC(F)F)ccn1 ZINC000192465980 145073680 /nfs/dbraw/zinc/07/36/80/145073680.db2.gz AEVOCLMDZFMLMK-UHFFFAOYSA-N 0 0 303.268 2.485 10 30 DEEERN N#Cc1cccnc1-n1cc(Nc2ncc([N+](=O)[O-])s2)cn1 ZINC000192530940 145075012 /nfs/dbraw/zinc/07/50/12/145075012.db2.gz FVEWQJRXEDDHTD-UHFFFAOYSA-N 0 0 313.302 2.247 10 30 DEEERN Cn1cnnc1-c1cccc(NC(=O)c2ccnc(C#N)c2)c1 ZINC000192637282 145076447 /nfs/dbraw/zinc/07/64/47/145076447.db2.gz OCDXSAITAOYPSZ-UHFFFAOYSA-N 0 0 304.313 2.001 10 30 DEEERN C[C@@H](NC(=O)c1ccnc(C#N)c1)c1nc2ccccc2n1C ZINC000193301320 145084483 /nfs/dbraw/zinc/08/44/83/145084483.db2.gz BVOPGWHPOMXIRD-LLVKDONJSA-N 0 0 305.341 2.331 10 30 DEEERN COC(=O)[C@@H](C)[C@H](NC(=O)c1ccnc(C#N)c1)c1ccccc1 ZINC000193427813 145085601 /nfs/dbraw/zinc/08/56/01/145085601.db2.gz BOZBUWQXNOHQMG-LRDDRELGSA-N 0 0 323.352 2.233 10 30 DEEERN N#Cc1cnc(N2CCC[C@@H](c3ccnc(N)n3)C2)c(Cl)c1 ZINC000193535706 145087104 /nfs/dbraw/zinc/08/71/04/145087104.db2.gz HHZCTVMPYTZNQN-LLVKDONJSA-N 0 0 314.780 2.363 10 30 DEEERN C[C@@H]1CN(C(=O)c2ccnc(C#N)c2)c2ccccc2NC1=O ZINC000193594351 145087844 /nfs/dbraw/zinc/08/78/44/145087844.db2.gz RUQNGLUWNSXUQC-LLVKDONJSA-N 0 0 306.325 2.188 10 30 DEEERN N#Cc1cc(C(=O)NCc2cc(Cl)cc3c2OCC3)ccn1 ZINC000193808429 145090453 /nfs/dbraw/zinc/09/04/53/145090453.db2.gz ODJGFZRVAALLCF-UHFFFAOYSA-N 0 0 313.744 2.472 10 30 DEEERN CC[C@@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H](C)O1 ZINC000246452768 145103760 /nfs/dbraw/zinc/10/37/60/145103760.db2.gz MVSMHZYTNZQRIQ-MRVWCRGKSA-N 0 0 319.430 2.224 10 30 DEEERN Cn1cccc1[C@@H]1COCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000249404158 145184071 /nfs/dbraw/zinc/18/40/71/145184071.db2.gz WDHQURCONOBYKI-ZWKOTPCHSA-N 0 0 311.385 2.004 10 30 DEEERN Cc1oc(C#N)cc1-c1nc([C@@H]2CN3CCCC[C@H]3CO2)no1 ZINC000346883146 146159071 /nfs/dbraw/zinc/15/90/71/146159071.db2.gz SCXRTNUGZFKMFQ-FZMZJTMJSA-N 0 0 314.345 2.436 10 30 DEEERN COC1(c2ccccc2)CN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000375576032 148387580 /nfs/dbraw/zinc/38/75/80/148387580.db2.gz DWLZPPCOHMTLGR-SFHVURJKSA-N 0 0 308.381 2.449 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccc(C#N)cc3C)[C@H]2C1 ZINC000127857849 401752472 /nfs/dbraw/zinc/75/24/72/401752472.db2.gz NVZJCVVMVYWIOO-PVAVHDDUSA-N 0 0 314.385 2.275 10 30 DEEERN N#Cc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000127957305 401757236 /nfs/dbraw/zinc/75/72/36/401757236.db2.gz PSLLQUUJPAZKCS-CRAIPNDOSA-N 0 0 313.401 2.124 10 30 DEEERN C=CCN(C(=O)[C@@]1(C)CCCO1)c1nc(C(=O)OCC)cs1 ZINC000128127757 401763892 /nfs/dbraw/zinc/76/38/92/401763892.db2.gz XTVZSFOSELLXLJ-OAHLLOKOSA-N 0 0 324.402 2.408 10 30 DEEERN CCCN(CC#N)C(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 ZINC000128455441 401777843 /nfs/dbraw/zinc/77/78/43/401777843.db2.gz WYNVYDBRCXYNOF-GDBMZVCRSA-N 0 0 313.401 2.358 10 30 DEEERN N#CC1(NC(=O)c2ccc(-n3cccc3)c(F)c2)CCOCC1 ZINC000115466257 401828925 /nfs/dbraw/zinc/82/89/25/401828925.db2.gz KXOQZSLZKIHUGU-UHFFFAOYSA-N 0 0 313.332 2.419 10 30 DEEERN Cn1cc([C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2)cn1 ZINC000116122931 401842979 /nfs/dbraw/zinc/84/29/79/401842979.db2.gz YSUORVWZWZDXES-INIZCTEOSA-N 0 0 308.385 2.240 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116670428 401856364 /nfs/dbraw/zinc/85/63/64/401856364.db2.gz DHFZRXCOAJXIGM-HNNXBMFYSA-N 0 0 317.433 2.456 10 30 DEEERN C=CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000116934312 401864484 /nfs/dbraw/zinc/86/44/84/401864484.db2.gz YTJQMKLBOLZSRE-VXGBXAGGSA-N 0 0 310.419 2.415 10 30 DEEERN C=CCC(CC=C)C(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000132300450 401865178 /nfs/dbraw/zinc/86/51/78/401865178.db2.gz HFNUWAQZYSHXHZ-KRWDZBQOSA-N 0 0 317.433 2.496 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccn(CCC#N)n1 ZINC000117710808 401882059 /nfs/dbraw/zinc/88/20/59/401882059.db2.gz IQVQHALGIMUTAD-LBPRGKRZSA-N 0 0 309.329 2.074 10 30 DEEERN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccccc1Br ZINC000119234212 401935036 /nfs/dbraw/zinc/93/50/36/401935036.db2.gz LPUKDIMPJYPVJQ-QWRGUYRKSA-N 0 0 309.207 2.238 10 30 DEEERN C=CCOc1ccccc1CNC(=O)NCCn1cc(C)cn1 ZINC000118074671 401890912 /nfs/dbraw/zinc/89/09/12/401890912.db2.gz SYMKJJCJBZAFEL-UHFFFAOYSA-N 0 0 314.389 2.256 10 30 DEEERN COc1ccc(CNC(=O)COc2ccc(C#N)cc2F)cc1 ZINC000134319651 401902337 /nfs/dbraw/zinc/90/23/37/401902337.db2.gz PUFQLDFJNWHIKD-UHFFFAOYSA-N 0 0 314.316 2.401 10 30 DEEERN C=CCC[C@H](O)CNCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036160633 401903201 /nfs/dbraw/zinc/90/32/01/401903201.db2.gz JBZYYHAWKVUSTE-ZDUSSCGKSA-N 0 0 318.333 2.062 10 30 DEEERN C=CCC[C@@H](O)CNCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036160637 401903328 /nfs/dbraw/zinc/90/33/28/401903328.db2.gz JBZYYHAWKVUSTE-CYBMUJFWSA-N 0 0 318.333 2.062 10 30 DEEERN CCN(C[C@@H](C)C#N)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000048960506 402010063 /nfs/dbraw/zinc/01/00/63/402010063.db2.gz ZIYGVYVRLRSKKY-JTQLQIEISA-N 0 0 311.794 2.382 10 30 DEEERN O=C(NO)[C@@H]1CC(c2ccc(OCc3ccccc3)cc2)=NO1 ZINC000103254167 402183070 /nfs/dbraw/zinc/18/30/70/402183070.db2.gz NXVZYEJQVDIBNN-INIZCTEOSA-N 0 0 312.325 2.264 10 30 DEEERN C=CCN(C)C(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1 ZINC000154136783 402194927 /nfs/dbraw/zinc/19/49/27/402194927.db2.gz LBAPEJOKNNNBBY-QGZVFWFLSA-N 0 0 323.396 2.067 10 30 DEEERN CC(C)C(=O)Nc1nc(CC(=O)NC2(C#N)CCCC2)cs1 ZINC000124816774 402198511 /nfs/dbraw/zinc/19/85/11/402198511.db2.gz UXRKMUMODJXVRL-UHFFFAOYSA-N 0 0 320.418 2.233 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)c2cc(C)nn2CC)cc1 ZINC000154523216 402216195 /nfs/dbraw/zinc/21/61/95/402216195.db2.gz KFKSYSRUVOGCTJ-UHFFFAOYSA-N 0 0 312.373 2.380 10 30 DEEERN CCc1nccn1[C@H]1CCCN(C(=O)c2ccc(C#N)cn2)C1 ZINC000107596644 402235869 /nfs/dbraw/zinc/23/58/69/402235869.db2.gz XIQXCKYZMLTDQG-AWEZNQCLSA-N 0 0 309.373 2.189 10 30 DEEERN C=CCNC(=O)C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC000125633909 402242868 /nfs/dbraw/zinc/24/28/68/402242868.db2.gz SGJPYJXBIGMEPF-UHFFFAOYSA-N 0 0 324.384 2.381 10 30 DEEERN C=CCN(C)C(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000155693084 402264805 /nfs/dbraw/zinc/26/48/05/402264805.db2.gz KXFCBDRSYSKVND-ZFWWWQNUSA-N 0 0 321.808 2.439 10 30 DEEERN C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CNC(=O)C1 ZINC000108240079 402248584 /nfs/dbraw/zinc/24/85/84/402248584.db2.gz CPJOXWVYPFZNCL-MNOVXSKESA-N 0 0 303.387 2.013 10 30 DEEERN CCN(CC)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000108608249 402258710 /nfs/dbraw/zinc/25/87/10/402258710.db2.gz JEFURHGZZREPAX-UHFFFAOYSA-N 0 0 305.403 2.499 10 30 DEEERN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@H](C#N)C1CC1 ZINC000108835156 402262585 /nfs/dbraw/zinc/26/25/85/402262585.db2.gz YMNROSXXJIKLLV-OAHLLOKOSA-N 0 0 322.368 2.090 10 30 DEEERN N#C[C@H](NC(=O)CCc1nc(-c2cccs2)no1)C1CC1 ZINC000108840395 402262652 /nfs/dbraw/zinc/26/26/52/402262652.db2.gz XUVKGCNZJDIODT-JTQLQIEISA-N 0 0 302.359 2.149 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1 ZINC000068871042 402207923 /nfs/dbraw/zinc/20/79/23/402207923.db2.gz IBVAWNOKTTXRGU-OAHLLOKOSA-N 0 0 319.361 2.471 10 30 DEEERN C[C@@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)CCCCC#N ZINC000068911657 402209268 /nfs/dbraw/zinc/20/92/68/402209268.db2.gz POGKJNYYNVFVSL-ZBFHGGJFSA-N 0 0 322.430 2.472 10 30 DEEERN COC(=O)c1coc(C(=O)Nc2nn(C(C)(C)C)cc2C#N)c1 ZINC000185067562 402321867 /nfs/dbraw/zinc/32/18/67/402321867.db2.gz GLXFQOOEUZKVPI-UHFFFAOYSA-N 0 0 316.317 2.142 10 30 DEEERN CCN(C[C@@H]1CCN(c2cnc(C#N)cn2)C1)CC(F)(F)F ZINC000126273723 402272405 /nfs/dbraw/zinc/27/24/05/402272405.db2.gz AHYLKGROZJQGPI-NSHDSACASA-N 0 0 313.327 2.059 10 30 DEEERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC000176071409 402276317 /nfs/dbraw/zinc/27/63/17/402276317.db2.gz UOURGJJUORXHDB-LBPRGKRZSA-N 0 0 318.377 2.016 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccccc1C(=O)N(CC)CC ZINC000184592240 402281043 /nfs/dbraw/zinc/28/10/43/402281043.db2.gz DZCQLSGQLDPTLT-ZDUSSCGKSA-N 0 0 319.405 2.227 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1nc(-c2ccccc2)c[nH]1 ZINC000176123521 402281223 /nfs/dbraw/zinc/28/12/23/402281223.db2.gz ORTHYSXWBPXKCY-UHFFFAOYSA-N 0 0 305.341 2.217 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)NCC2(C)CCC2)c1 ZINC000176346731 402301552 /nfs/dbraw/zinc/30/15/52/402301552.db2.gz KLYCHCXMSLYRAB-UHFFFAOYSA-N 0 0 302.374 2.496 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)N[C@H](C)Cn1cncn1 ZINC000158513593 402306963 /nfs/dbraw/zinc/30/69/63/402306963.db2.gz NSMOQODZXSWLNK-OAHLLOKOSA-N 0 0 313.405 2.107 10 30 DEEERN C=CCOc1cccc(NC(=O)N[C@@](C)(CCO)COC)c1 ZINC000176414605 402307289 /nfs/dbraw/zinc/30/72/89/402307289.db2.gz JRTZNMONAIHCEC-INIZCTEOSA-N 0 0 308.378 2.160 10 30 DEEERN CCN(CCc1nccs1)CC(=O)N(CC)C[C@H](C)C#N ZINC000159149396 402318584 /nfs/dbraw/zinc/31/85/84/402318584.db2.gz TZUAGEISEGAVMF-CYBMUJFWSA-N 0 0 308.451 2.016 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccccc1N1CCCC1=O ZINC000176582363 402321006 /nfs/dbraw/zinc/32/10/06/402321006.db2.gz AYCFGLGKIDVWTJ-UHFFFAOYSA-N 0 0 308.341 2.276 10 30 DEEERN N#Cc1ccc(Cl)c(S(=O)(=O)NCC[C@H]2CCCO2)c1 ZINC000160800000 402361199 /nfs/dbraw/zinc/36/11/99/402361199.db2.gz IRUHHRQPLKLLLS-LLVKDONJSA-N 0 0 314.794 2.059 10 30 DEEERN C#CCCCn1ncc(Br)c(Br)c1=O ZINC000160825807 402362028 /nfs/dbraw/zinc/36/20/28/402362028.db2.gz BSLPEYOICMJJBY-UHFFFAOYSA-N 0 0 319.984 2.182 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1cc(-c2ccccc2)on1 ZINC000185921685 402389261 /nfs/dbraw/zinc/38/92/61/402389261.db2.gz GQXLEKLLWWKXMP-ZDUSSCGKSA-N 0 0 301.346 2.078 10 30 DEEERN CNC(=O)CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000185724807 402372158 /nfs/dbraw/zinc/37/21/58/402372158.db2.gz WVBAPJFYRFVINX-UHFFFAOYSA-N 0 0 309.325 2.425 10 30 DEEERN C=CC[C@@H](CO)NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000185775599 402375838 /nfs/dbraw/zinc/37/58/38/402375838.db2.gz YGIJEASVNJCZDR-NSHDSACASA-N 0 0 304.173 2.425 10 30 DEEERN CCOC(=O)C(C)(C)NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000177199162 402381018 /nfs/dbraw/zinc/38/10/18/402381018.db2.gz WMQKGMMWLWJMQR-UHFFFAOYSA-N 0 0 323.418 2.106 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000185841797 402381538 /nfs/dbraw/zinc/38/15/38/402381538.db2.gz VTHIZVFPLAYGNO-AWEZNQCLSA-N 0 0 305.374 2.309 10 30 DEEERN C=C[C@@H](CC(=O)N1CCO[C@@]2(CCOC2)C1)c1ccccc1 ZINC000186088663 402400257 /nfs/dbraw/zinc/40/02/57/402400257.db2.gz MKGLGFRRIHZGHY-YJBOKZPZSA-N 0 0 301.386 2.364 10 30 DEEERN C#CCCCCC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000186243940 402414416 /nfs/dbraw/zinc/41/44/16/402414416.db2.gz IIGPEOABPLLRKS-UHFFFAOYSA-N 0 0 300.406 2.129 10 30 DEEERN CC(C)c1nnc2n1C[C@H]([NH2+]Cc1cc(C#N)cs1)CC2 ZINC000177693570 402427323 /nfs/dbraw/zinc/42/73/23/402427323.db2.gz LOJHBJAZDZMNOE-GFCCVEGCSA-N 0 0 301.419 2.439 10 30 DEEERN N#Cc1ccc(C2(C(=O)N3CCC[C@H](n4cncn4)C3)CC2)cc1 ZINC000186646373 402451053 /nfs/dbraw/zinc/45/10/53/402451053.db2.gz LXNHBXAEAGOFTK-INIZCTEOSA-N 0 0 321.384 2.045 10 30 DEEERN Cc1cccc2[nH]cc(CCNS(=O)(=O)CCCC#N)c21 ZINC000177730500 402431205 /nfs/dbraw/zinc/43/12/05/402431205.db2.gz QLYVIUDSZWLFEI-UHFFFAOYSA-N 0 0 305.403 2.242 10 30 DEEERN C[C@@H](NC(=O)Nc1ncccc1OCCCC#N)[C@H]1CCCO1 ZINC000186451802 402432352 /nfs/dbraw/zinc/43/23/52/402432352.db2.gz NYGCUEHJAYULPX-CHWSQXEVSA-N 0 0 318.377 2.453 10 30 DEEERN C=C(C)COCCNC(=O)N[C@@H](C)COCc1ccccc1 ZINC000178003130 402451453 /nfs/dbraw/zinc/45/14/53/402451453.db2.gz POXJNMNEGTXYFA-HNNXBMFYSA-N 0 0 306.406 2.484 10 30 DEEERN C=CC[C@@H](CO)NC(=O)COc1ccc(Cl)cc1Cl ZINC000185926384 402389598 /nfs/dbraw/zinc/38/95/98/402389598.db2.gz MZLTUSZQFRYQPV-JTQLQIEISA-N 0 0 304.173 2.425 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnn(CC(C)C)c1C(F)F ZINC000185950470 402392541 /nfs/dbraw/zinc/39/25/41/402392541.db2.gz ZCOYNNKWGRXREF-JTQLQIEISA-N 0 0 301.337 2.144 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000185960381 402393039 /nfs/dbraw/zinc/39/30/39/402393039.db2.gz IURRYTYCFNYVTH-CQSZACIVSA-N 0 0 301.390 2.255 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000186660911 402452647 /nfs/dbraw/zinc/45/26/47/402452647.db2.gz NYUPXULWKAOXFM-LLVKDONJSA-N 0 0 323.336 2.229 10 30 DEEERN COc1ccccc1N1CC[C@@H](NC(=O)C#Cc2ccccc2)C1 ZINC000163578695 402453026 /nfs/dbraw/zinc/45/30/26/402453026.db2.gz GSOFTFVBYXCOQQ-QGZVFWFLSA-N 0 0 320.392 2.442 10 30 DEEERN CC(C)(C)OC(=O)[C@H]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000178056921 402456161 /nfs/dbraw/zinc/45/61/61/402456161.db2.gz AVTJVLGPYGDLGL-NSHDSACASA-N 0 0 318.333 2.029 10 30 DEEERN C=CCCCN(C)c1ncc(I)cn1 ZINC000165197592 402474156 /nfs/dbraw/zinc/47/41/56/402474156.db2.gz BJGZOHHWCSZSNP-UHFFFAOYSA-N 0 0 303.147 2.484 10 30 DEEERN C=CCOCCCC(=O)N[C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000187109345 402483154 /nfs/dbraw/zinc/48/31/54/402483154.db2.gz HKTBSXVRXUEUEN-LSDHHAIUSA-N 0 0 311.422 2.060 10 30 DEEERN C[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)Cn1ccnc1 ZINC000187189808 402487286 /nfs/dbraw/zinc/48/72/86/402487286.db2.gz RQJATLGIRMEOTE-AWEZNQCLSA-N 0 0 308.385 2.239 10 30 DEEERN C=C(C)COCCNC(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000187592806 402505641 /nfs/dbraw/zinc/50/56/41/402505641.db2.gz CCMAYEVQOSIOSV-CABCVRRESA-N 0 0 324.446 2.058 10 30 DEEERN C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000178528636 402507896 /nfs/dbraw/zinc/50/78/96/402507896.db2.gz YRQXNUYQBVTTJC-CQSZACIVSA-N 0 0 310.438 2.075 10 30 DEEERN C#CCCCNC(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000178877625 402549720 /nfs/dbraw/zinc/54/97/20/402549720.db2.gz CVSBNTPLJIANRL-CQSZACIVSA-N 0 0 316.336 2.319 10 30 DEEERN CCSc1cc(CNC(=O)c2cc(C#N)cn2C)ccn1 ZINC000189033388 402530383 /nfs/dbraw/zinc/53/03/83/402530383.db2.gz NLRCTDJRTBRZJF-UHFFFAOYSA-N 0 0 300.387 2.334 10 30 DEEERN C=C(C)COc1cc(CN2CCCNC(=O)[C@H]2C)ccc1OC ZINC000189076098 402531115 /nfs/dbraw/zinc/53/11/15/402531115.db2.gz CDYAKXWBCQLMEQ-CQSZACIVSA-N 0 0 318.417 2.361 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)N1CCC(n2cncn2)CC1 ZINC000171369917 402581497 /nfs/dbraw/zinc/58/14/97/402581497.db2.gz CVLLWMFRCRRXOW-UHFFFAOYSA-N 0 0 310.361 2.327 10 30 DEEERN CN(C)c1nc2sc(C(=O)N[C@H](C#N)C3CC3)cc2s1 ZINC000171721466 402614277 /nfs/dbraw/zinc/61/42/77/402614277.db2.gz YRZGRQGFDKQLOP-MRVPVSSYSA-N 0 0 306.416 2.456 10 30 DEEERN CO[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC[C@@H]1C ZINC000190726932 402620537 /nfs/dbraw/zinc/62/05/37/402620537.db2.gz WHVODLAYHLAEFU-XHDPSFHLSA-N 0 0 305.353 2.264 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171777567 402621256 /nfs/dbraw/zinc/62/12/56/402621256.db2.gz HPDPJDNBORYUOP-MRXNPFEDSA-N 0 0 315.417 2.241 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccn(C)n1 ZINC000181250138 402639327 /nfs/dbraw/zinc/63/93/27/402639327.db2.gz UPHSCLXMCNOQCE-UHFFFAOYSA-N 0 0 314.345 2.086 10 30 DEEERN N#Cc1cc(C(=O)NC[C@H]2COC3(CCCCCC3)O2)c[nH]1 ZINC000181464866 402646785 /nfs/dbraw/zinc/64/67/85/402646785.db2.gz MRNVODJYTPYGGX-AWEZNQCLSA-N 0 0 303.362 2.082 10 30 DEEERN Cn1ncc(N=Cc2cccnc2)c1C(=O)NCc1ccco1 ZINC000254766154 402671639 /nfs/dbraw/zinc/67/16/39/402671639.db2.gz ZAFTZLDVDHMDHF-UHFFFAOYSA-N 0 0 309.329 2.089 10 30 DEEERN CCCNc1ccc(C#N)cc1NC(=O)CNC(=O)CCC ZINC000173042526 402683930 /nfs/dbraw/zinc/68/39/30/402683930.db2.gz WJUWGRBFHKXONV-UHFFFAOYSA-N 0 0 302.378 2.235 10 30 DEEERN CNC(=O)[C@@H](NCc1cc(C#N)ccc1Br)C(C)C ZINC000191821140 402694794 /nfs/dbraw/zinc/69/47/94/402694794.db2.gz ASRXVGGLELPWNC-ZDUSSCGKSA-N 0 0 324.222 2.181 10 30 DEEERN Cc1ccccc1-n1nc(C#N)c(N2CCCC[C@H]2CCO)n1 ZINC000256046943 402699594 /nfs/dbraw/zinc/69/95/94/402699594.db2.gz JETAFRQUIMXCNS-AWEZNQCLSA-N 0 0 311.389 2.189 10 30 DEEERN COC(=O)[C@H](N[C@@H](CO)c1ccccc1)c1cccc(C#N)c1 ZINC000182916264 402726847 /nfs/dbraw/zinc/72/68/47/402726847.db2.gz CVSZGDFQMWEICN-DLBZAZTESA-N 0 0 310.353 2.096 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCC[C@@H](C)c1ccc(OC)cc1 ZINC000183599200 402780196 /nfs/dbraw/zinc/78/01/96/402780196.db2.gz OPEAAEWCLFZNIK-HIFRSBDPSA-N 0 0 306.406 2.425 10 30 DEEERN C[C@@H]1COC[C@@H](C)N1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192600759 402739199 /nfs/dbraw/zinc/73/91/99/402739199.db2.gz CJJNGRANJQSGPS-CKEIUWERSA-N 0 0 313.401 2.163 10 30 DEEERN C[C@@H]1CN(c2ccc(NC(=O)c3ccnc(C#N)c3)cc2)CCO1 ZINC000192695991 402745047 /nfs/dbraw/zinc/74/50/47/402745047.db2.gz XQQNTZCRJBUREG-CYBMUJFWSA-N 0 0 322.368 2.431 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)COc1c(C)cccc1C ZINC000183209521 402747475 /nfs/dbraw/zinc/74/74/75/402747475.db2.gz ICUQTIGNBLWWIR-CABCVRRESA-N 0 0 306.406 2.307 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(C)nc1Br ZINC000183285134 402753607 /nfs/dbraw/zinc/75/36/07/402753607.db2.gz CSSZIYAUZAKUPV-SECBINFHSA-N 0 0 314.183 2.211 10 30 DEEERN C=CCN(Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000183294175 402753865 /nfs/dbraw/zinc/75/38/65/402753865.db2.gz CTBJIMDAENHYCK-HNNXBMFYSA-N 0 0 324.402 2.078 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NCCc1ccccc1O ZINC000193641973 402774239 /nfs/dbraw/zinc/77/42/39/402774239.db2.gz BSHWYJQLHJLHAI-ZDUSSCGKSA-N 0 0 310.353 2.390 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(C)nn1Cc1ccccc1 ZINC000183540451 402775100 /nfs/dbraw/zinc/77/51/00/402775100.db2.gz ZLOFIYXKNDTGIU-HNNXBMFYSA-N 0 0 314.389 2.298 10 30 DEEERN C#CCC(C)(C)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000183911203 402804469 /nfs/dbraw/zinc/80/44/69/402804469.db2.gz VLWCSXAKXJKISY-UHFFFAOYSA-N 0 0 318.442 2.472 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cnn(C)c1 ZINC000194841163 402818095 /nfs/dbraw/zinc/81/80/95/402818095.db2.gz QSSQVVPQRGRYFX-UHFFFAOYSA-N 0 0 314.345 2.086 10 30 DEEERN CCC(=O)N1CSC[C@@H]1C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000175758470 402830031 /nfs/dbraw/zinc/83/00/31/402830031.db2.gz BFDMCZZGDWKNKT-SMDDNHRTSA-N 0 0 318.398 2.474 10 30 DEEERN CCn1c(C)nnc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000195079165 402830212 /nfs/dbraw/zinc/83/02/12/402830212.db2.gz AZHJACUGQIWOMX-UHFFFAOYSA-N 0 0 324.432 2.190 10 30 DEEERN CC(C)c1nnc2n1C[C@@H](NC(=O)C1(C#N)CCCCC1)CC2 ZINC000195286145 402840416 /nfs/dbraw/zinc/84/04/16/402840416.db2.gz IRYONPDIYRFLCR-ZDUSSCGKSA-N 0 0 315.421 2.307 10 30 DEEERN CCOC(=O)[C@@H]1CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000184398384 402841111 /nfs/dbraw/zinc/84/11/11/402841111.db2.gz WGHPQXXSKIDGFF-HNNXBMFYSA-N 0 0 312.369 2.409 10 30 DEEERN CS[C@H](C)CC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183647548 402785393 /nfs/dbraw/zinc/78/53/93/402785393.db2.gz TWONKUSBQZQEIT-SNVBAGLBSA-N 0 0 301.375 2.219 10 30 DEEERN C=C1CCN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)CC1 ZINC000264537060 402887173 /nfs/dbraw/zinc/88/71/73/402887173.db2.gz GQOCMJUTQBESMH-CQSZACIVSA-N 0 0 308.447 2.257 10 30 DEEERN N#Cc1ccc(C(F)(F)F)nc1NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000272438920 402937642 /nfs/dbraw/zinc/93/76/42/402937642.db2.gz IAHXRQXCRSPZNN-VIFPVBQESA-N 0 0 324.306 2.395 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000279243004 402920850 /nfs/dbraw/zinc/92/08/50/402920850.db2.gz GFRDBGOBSZSGEL-SECBINFHSA-N 0 0 318.261 2.448 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)[C@@H](OC)c1ccccc1F ZINC000273423128 403003672 /nfs/dbraw/zinc/00/36/72/403003672.db2.gz SDHZGMPQXCZKJY-LALPHHSUSA-N 0 0 310.369 2.138 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1nc(SCCC)ns1 ZINC000273500225 403009988 /nfs/dbraw/zinc/00/99/88/403009988.db2.gz YPESEDIDJOQCCU-QMMMGPOBSA-N 0 0 302.425 2.099 10 30 DEEERN C=CCSCCNS(=O)(=O)c1ccc2ncsc2c1 ZINC000274609464 403071510 /nfs/dbraw/zinc/07/15/10/403071510.db2.gz HIVYJZHWGQECHM-UHFFFAOYSA-N 0 0 314.457 2.494 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000281564569 403071607 /nfs/dbraw/zinc/07/16/07/403071607.db2.gz UCSSJEHRZUGXTC-DOTOQJQBSA-N 0 0 316.401 2.380 10 30 DEEERN N#Cc1cccnc1N1CCN(Cc2ncc(C3CC3)o2)CC1 ZINC000270598287 403203780 /nfs/dbraw/zinc/20/37/80/403203780.db2.gz LHMKNKOVQVELGZ-UHFFFAOYSA-N 0 0 309.373 2.141 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CCOC[C@@H]1C ZINC000277454576 403219574 /nfs/dbraw/zinc/21/95/74/403219574.db2.gz MDJDJZPQBMMYQI-WCQYABFASA-N 0 0 306.337 2.384 10 30 DEEERN C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000277518458 403226337 /nfs/dbraw/zinc/22/63/37/403226337.db2.gz GKGLRXMHYRNHMR-WMLDXEAASA-N 0 0 304.438 2.416 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000284022101 403239307 /nfs/dbraw/zinc/23/93/07/403239307.db2.gz QPNDWCIOTCSUCM-CQSZACIVSA-N 0 0 307.415 2.372 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1nc2ccccc2s1 ZINC000283381027 403193500 /nfs/dbraw/zinc/19/35/00/403193500.db2.gz JAGYORVFORQQDQ-UHFFFAOYSA-N 0 0 317.414 2.337 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N[C@H]1CCOC[C@H]1C ZINC000277687171 403245508 /nfs/dbraw/zinc/24/55/08/403245508.db2.gz QPVXEZJMLMYWQE-HIFRSBDPSA-N 0 0 304.390 2.476 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000277753880 403253153 /nfs/dbraw/zinc/25/31/53/403253153.db2.gz RSTOYYQQOWWORF-MRXNPFEDSA-N 0 0 318.367 2.347 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](C)COc1cccc(F)c1 ZINC000284865801 403272811 /nfs/dbraw/zinc/27/28/11/403272811.db2.gz BVFXEGLWNHLVQU-CYBMUJFWSA-N 0 0 322.380 2.134 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cnc(C)s1 ZINC000285286294 403280213 /nfs/dbraw/zinc/28/02/13/403280213.db2.gz JVEDBUAZUVWZNA-AWEZNQCLSA-N 0 0 320.439 2.364 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000286003917 403429225 /nfs/dbraw/zinc/42/92/25/403429225.db2.gz GLTCDARYGYDHBL-QAPCUYQASA-N 0 0 317.433 2.290 10 30 DEEERN C=CCCC[C@H](C)NC(=O)NCCC1CCS(=O)(=O)CC1 ZINC000342972050 403414490 /nfs/dbraw/zinc/41/44/90/403414490.db2.gz PCVRJHFAVRGKID-ZDUSSCGKSA-N 0 0 316.467 2.245 10 30 DEEERN C=CCCCCNC(=O)C(=O)N[C@H]1CCc2c1cccc2F ZINC000343093212 403459930 /nfs/dbraw/zinc/45/99/30/403459930.db2.gz GNFXDTARUYNZMT-HNNXBMFYSA-N 0 0 304.365 2.402 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293491377 403486308 /nfs/dbraw/zinc/48/63/08/403486308.db2.gz NALWSGRXJANJFU-UHFFFAOYSA-N 0 0 311.329 2.026 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000298921106 403486503 /nfs/dbraw/zinc/48/65/03/403486503.db2.gz IOTKNUKGSOWBFX-UHFFFAOYSA-N 0 0 318.373 2.151 10 30 DEEERN C=C(C)CNC(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000345966249 403552385 /nfs/dbraw/zinc/55/23/85/403552385.db2.gz WJMCBZOTIVIZIK-UHFFFAOYSA-N 0 0 324.812 2.148 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000345859938 403512568 /nfs/dbraw/zinc/51/25/68/403512568.db2.gz HCUIRXPGKDSNJE-GFCCVEGCSA-N 0 0 322.355 2.385 10 30 DEEERN C=CCC(F)(F)C(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000293600014 403515548 /nfs/dbraw/zinc/51/55/48/403515548.db2.gz FYNLILLNAGATLK-ZDUSSCGKSA-N 0 0 308.328 2.462 10 30 DEEERN C=CC[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1C ZINC000293600249 403515640 /nfs/dbraw/zinc/51/56/40/403515640.db2.gz XVQJHRHCHFMCCR-JTQLQIEISA-N 0 0 315.366 2.164 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@H](C)[C@H]1C ZINC000287366075 403584093 /nfs/dbraw/zinc/58/40/93/403584093.db2.gz MCRWVVACVNXDSD-BFYDXBDKSA-N 0 0 300.402 2.440 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000346444380 403590751 /nfs/dbraw/zinc/59/07/51/403590751.db2.gz WZXXZBJTPNCBBN-UKRRQHHQSA-N 0 0 316.405 2.231 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)C(=O)Nc1ccc(OC)cc1 ZINC000346540570 403593696 /nfs/dbraw/zinc/59/36/96/403593696.db2.gz GZYOTLKKCIKWJJ-UHFFFAOYSA-N 0 0 316.279 2.211 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC ZINC000287464415 403605513 /nfs/dbraw/zinc/60/55/13/403605513.db2.gz SFDAJXAOROQQDY-QGTPRVQTSA-N 0 0 314.429 2.288 10 30 DEEERN C=CCNC(=O)Cc1noc(-c2sc(CC3CC3)nc2C)n1 ZINC000346978307 403609515 /nfs/dbraw/zinc/60/95/15/403609515.db2.gz CBCLCIDGLYVGIQ-UHFFFAOYSA-N 0 0 318.402 2.299 10 30 DEEERN COCc1cc(N[C@@H](C)c2cccc(C#N)c2)n2ncnc2n1 ZINC000301450378 403631687 /nfs/dbraw/zinc/63/16/87/403631687.db2.gz PRDDUHLKLFCAHE-NSHDSACASA-N 0 0 308.345 2.315 10 30 DEEERN N#Cc1cc(F)ccc1N[C@H]1CCN(C(=O)c2ccccn2)C1 ZINC000301828138 403686501 /nfs/dbraw/zinc/68/65/01/403686501.db2.gz GBWMPRKGTVOPQN-AWEZNQCLSA-N 0 0 310.332 2.419 10 30 DEEERN C#Cc1cccc(N(CC)S(=O)(=O)[C@H]2CCO[C@H](C)C2)c1 ZINC000294350158 403710972 /nfs/dbraw/zinc/71/09/72/403710972.db2.gz ZFJLPTJOPAKTLS-CJNGLKHVSA-N 0 0 307.415 2.392 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1C[C@H](O)C1(C)C ZINC000288081863 403721427 /nfs/dbraw/zinc/72/14/27/403721427.db2.gz HFCKPWRJVBNGGU-PMPSAXMXSA-N 0 0 300.402 2.080 10 30 DEEERN C=C(C)CN(CC)S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000289288340 403896760 /nfs/dbraw/zinc/89/67/60/403896760.db2.gz GOHQFBXAQGZXFH-UHFFFAOYSA-N 0 0 315.391 2.270 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000347834483 403898755 /nfs/dbraw/zinc/89/87/55/403898755.db2.gz QIGQSQPYMKENMT-HNNXBMFYSA-N 0 0 300.402 2.257 10 30 DEEERN FC(F)(F)c1ccc(C#CCN2CCN3CCOC[C@@H]3C2)cc1 ZINC000368832719 403873465 /nfs/dbraw/zinc/87/34/65/403873465.db2.gz GJTWOUNLTHROGV-INIZCTEOSA-N 0 0 324.346 2.073 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCc2nn(CC)c(=O)cc2C1 ZINC000362031827 403919075 /nfs/dbraw/zinc/91/90/75/403919075.db2.gz FSLIDWHUNUDTSA-ZDUSSCGKSA-N 0 0 318.421 2.076 10 30 DEEERN C=CCC(F)(F)C(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000295436050 403922792 /nfs/dbraw/zinc/92/27/92/403922792.db2.gz UDZUZLXRINFHSK-DTWKUNHWSA-N 0 0 301.255 2.360 10 30 DEEERN N#C[C@H]1CN(Cc2cnn(Cc3ccccc3)c2)CCN1C1CC1 ZINC000362119030 403925682 /nfs/dbraw/zinc/92/56/82/403925682.db2.gz RDXZBTDSMWEVEU-IBGZPJMESA-N 0 0 321.428 2.104 10 30 DEEERN CC(=O)c1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1Cl ZINC000337027416 403958497 /nfs/dbraw/zinc/95/84/97/403958497.db2.gz BTVBWQLQUVIZOY-QMMMGPOBSA-N 0 0 317.736 2.205 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)[C@H](C)c1ccco1 ZINC000289547214 403984653 /nfs/dbraw/zinc/98/46/53/403984653.db2.gz FAODTOIRPODEGT-OCCSQVGLSA-N 0 0 318.377 2.342 10 30 DEEERN C=CCOC[C@H]1NC(=O)N(C[C@H](C)c2ccc(F)cc2F)C1=O ZINC000348509833 404074765 /nfs/dbraw/zinc/07/47/65/404074765.db2.gz LKBKIKNPRBQWHH-IINYFYTJSA-N 0 0 324.327 2.191 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@@H]2c3ccccc3C[C@H]2C)C1=O ZINC000348612227 404085162 /nfs/dbraw/zinc/08/51/62/404085162.db2.gz PFTXLLZXKHYJIY-UGFHNGPFSA-N 0 0 300.358 2.043 10 30 DEEERN C=CC[C@@H](CO)Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000320529230 404067466 /nfs/dbraw/zinc/06/74/66/404067466.db2.gz PNQIYUNEQQDPSS-QMMMGPOBSA-N 0 0 316.155 2.410 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)c3cccnc3C)C2)n1 ZINC000328613172 404113862 /nfs/dbraw/zinc/11/38/62/404113862.db2.gz QYRGXLGHTDCYDT-CYBMUJFWSA-N 0 0 313.361 2.282 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)C3=C(C)OCCC3)C2)n1 ZINC000328613133 404114121 /nfs/dbraw/zinc/11/41/21/404114121.db2.gz QVDRNZAXPRBJLM-ZDUSSCGKSA-N 0 0 318.377 2.349 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N(CCC)C3CC3)cc2C1=O ZINC000349183512 404132777 /nfs/dbraw/zinc/13/27/77/404132777.db2.gz MXROWDVCPKZDKF-UHFFFAOYSA-N 0 0 312.369 2.483 10 30 DEEERN C[C@]1(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CCC(=O)NC1 ZINC000328821364 404157357 /nfs/dbraw/zinc/15/73/57/404157357.db2.gz OWRJWMBAVDBQDW-IGCXYCKISA-N 0 0 321.421 2.491 10 30 DEEERN O=C(N[C@@H]1CCN(c2ccccc2)C1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328857418 404163065 /nfs/dbraw/zinc/16/30/65/404163065.db2.gz XWBLCBWJXAKXED-DJIMGWMZSA-N 0 0 315.417 2.336 10 30 DEEERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NC[C@@H]1CCCCC(F)(F)C1 ZINC000329166994 404250328 /nfs/dbraw/zinc/25/03/28/404250328.db2.gz IFBHFGHPGXHHBE-FRRDWIJNSA-N 0 0 318.364 2.140 10 30 DEEERN COc1cc(OC)cc(N2CC[C@H](Nc3ccncc3C#N)C2)c1 ZINC000363948921 404264105 /nfs/dbraw/zinc/26/41/05/404264105.db2.gz MWDIHBGCSPAQCW-AWEZNQCLSA-N 0 0 324.384 2.083 10 30 DEEERN Cc1noc(C)c1C[C@H](C)NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000329245309 404278208 /nfs/dbraw/zinc/27/82/08/404278208.db2.gz AEUHKJWNEQYVAP-HZUKXOBISA-N 0 0 320.437 2.162 10 30 DEEERN COc1cc(F)ccc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000364209868 404327570 /nfs/dbraw/zinc/32/75/70/404327570.db2.gz XWERSJXPGMAIJX-ZDUSSCGKSA-N 0 0 318.352 2.038 10 30 DEEERN COc1cc(F)ccc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000364209867 404328285 /nfs/dbraw/zinc/32/82/85/404328285.db2.gz XWERSJXPGMAIJX-CYBMUJFWSA-N 0 0 318.352 2.038 10 30 DEEERN C[C@@H]1c2ccccc2CN1C(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC000329444170 404338677 /nfs/dbraw/zinc/33/86/77/404338677.db2.gz KOIMWQFDAKEHST-CHWSQXEVSA-N 0 0 322.430 2.302 10 30 DEEERN Cc1noc(C)c1[NH+]=C([O-])N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000329456864 404341922 /nfs/dbraw/zinc/34/19/22/404341922.db2.gz QFHAEUUXCYLZMW-LLVKDONJSA-N 0 0 318.381 2.347 10 30 DEEERN O=C(Nc1cnc2c(c1)CCCC2)N1CCc2cncnc2C1 ZINC000329465915 404343980 /nfs/dbraw/zinc/34/39/80/404343980.db2.gz RQAGBFPFWMXGIY-UHFFFAOYSA-N 0 0 309.373 2.354 10 30 DEEERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@@H]2CCCC(C)(C)C2)nn1 ZINC000329346724 404309007 /nfs/dbraw/zinc/30/90/07/404309007.db2.gz VHJHRJTWOGNJPQ-MRVWCRGKSA-N 0 0 322.409 2.138 10 30 DEEERN O=C(CN1CCC[C@H](C(=O)N2CCCC2)C1)Nc1nccs1 ZINC000329710321 404428404 /nfs/dbraw/zinc/42/84/04/404428404.db2.gz MDJAAVKPWUNOCF-LBPRGKRZSA-N 0 0 322.434 2.066 10 30 DEEERN CC1(C)C(=O)NC(=O)N1CC(=O)NCc1cccc2c1OCO2 ZINC000329762170 404444336 /nfs/dbraw/zinc/44/43/36/404444336.db2.gz SHJRQQNTSURBJL-UHFFFAOYSA-N 0 0 319.317 2.043 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN2CC(F)(F)C[C@@H]2CO)c1C ZINC000364590617 404460665 /nfs/dbraw/zinc/46/06/65/404460665.db2.gz IXZUSGZWVPEPPJ-CYBMUJFWSA-N 0 0 312.360 2.176 10 30 DEEERN C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC000351171685 404525409 /nfs/dbraw/zinc/52/54/09/404525409.db2.gz TYLQIJVAVAMWKA-IHRRRGAJSA-N 0 0 306.410 2.177 10 30 DEEERN C=CCN(CC=C)C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000352742610 404588569 /nfs/dbraw/zinc/58/85/69/404588569.db2.gz OZBYANANOGOBOA-UHFFFAOYSA-N 0 0 303.753 2.130 10 30 DEEERN C=CCCN(C)C(=O)C(=O)NCc1ccc(F)cc1CSC ZINC000345166160 404589611 /nfs/dbraw/zinc/58/96/11/404589611.db2.gz NCVHXNWKYCWWIG-UHFFFAOYSA-N 0 0 324.421 2.339 10 30 DEEERN CC1(C)CN(c2ccc([N+](=O)[O-])cc2C#N)C[C@]2(CCOC2)O1 ZINC000373686327 404557781 /nfs/dbraw/zinc/55/77/81/404557781.db2.gz XEZZNIQGUUEYCG-INIZCTEOSA-N 0 0 317.345 2.241 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1nccc(C)n1 ZINC000342403773 404558134 /nfs/dbraw/zinc/55/81/34/404558134.db2.gz PTZSPNDUJPJRKD-UHFFFAOYSA-N 0 0 301.346 2.089 10 30 DEEERN C=CCn1cc(-c2nc(CC3CCC(OC)CC3)no2)nn1 ZINC000351375802 404565994 /nfs/dbraw/zinc/56/59/94/404565994.db2.gz PPGNTMSDRJRPGG-UHFFFAOYSA-N 0 0 303.366 2.262 10 30 DEEERN C=C(C)[C@H](CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC)OCC ZINC000342483767 404607377 /nfs/dbraw/zinc/60/73/77/404607377.db2.gz DFDOGZAGEBYNTF-RZLSGREXSA-N 0 0 309.406 2.158 10 30 DEEERN C=CCn1c(C(C)C)nnc1N(C[C@H]1CCC(=O)N1)C(C)C ZINC000414510337 404662890 /nfs/dbraw/zinc/66/28/90/404662890.db2.gz DTZKQSAWVIRIHT-CYBMUJFWSA-N 0 0 305.426 2.081 10 30 DEEERN C=CCN(CC(=O)Nc1ccncc1)Cc1ccc(OC)cc1 ZINC000352782303 404618772 /nfs/dbraw/zinc/61/87/72/404618772.db2.gz CQGUYGBEMIJZAB-UHFFFAOYSA-N 0 0 311.385 2.139 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000356792686 404693616 /nfs/dbraw/zinc/69/36/16/404693616.db2.gz BZGJBFWRWXGILK-YOEHRIQHSA-N 0 0 303.402 2.495 10 30 DEEERN C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1nc(N(C)C)no1 ZINC000352923149 404694028 /nfs/dbraw/zinc/69/40/28/404694028.db2.gz VCYPBLMBZOIKJI-UHFFFAOYSA-N 0 0 318.425 2.491 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCN(C)C(=O)[C@H]1C ZINC000359104502 404784340 /nfs/dbraw/zinc/78/43/40/404784340.db2.gz OWRUOELIJOHYPN-CQSZACIVSA-N 0 0 319.453 2.110 10 30 DEEERN C=CCOc1ccc(CNC(=O)Nc2ccc(=O)n(C)c2)cc1 ZINC000353372059 404816512 /nfs/dbraw/zinc/81/65/12/404816512.db2.gz WQMLHAGBAAQFPQ-UHFFFAOYSA-N 0 0 313.357 2.272 10 30 DEEERN COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1ccc(C#N)n1C ZINC000451175447 404889721 /nfs/dbraw/zinc/88/97/21/404889721.db2.gz KOCOVKHMUNKJJX-CQSZACIVSA-N 0 0 317.389 2.139 10 30 DEEERN C=CCN(CCOC)C(=O)c1cnc2c(cnn2CC(C)C)c1 ZINC000361074287 404904106 /nfs/dbraw/zinc/90/41/06/404904106.db2.gz AZKCWGMJWMCTIR-UHFFFAOYSA-N 0 0 316.405 2.362 10 30 DEEERN N#CCCCCNC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000361130214 404935015 /nfs/dbraw/zinc/93/50/15/404935015.db2.gz UHOGMPAENMVJAE-ZDUSSCGKSA-N 0 0 303.362 2.210 10 30 DEEERN CC[C@H](CC#N)NC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000435019703 404951598 /nfs/dbraw/zinc/95/15/98/404951598.db2.gz FXBSNRATQFWMCK-VHSXEESVSA-N 0 0 320.418 2.015 10 30 DEEERN N#Cc1ccnc(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)c1 ZINC000436017906 405037632 /nfs/dbraw/zinc/03/76/32/405037632.db2.gz IKFGOHCGNHDAKR-UHFFFAOYSA-N 0 0 320.352 2.483 10 30 DEEERN N#Cc1ccnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000436017859 405037739 /nfs/dbraw/zinc/03/77/39/405037739.db2.gz QMVABNZQOCNQOJ-GFCCVEGCSA-N 0 0 324.315 2.084 10 30 DEEERN C=CCOC[C@@H](NC(=O)C/C=C/c1ccc(F)cc1)C(=O)OC ZINC000435932928 405028791 /nfs/dbraw/zinc/02/87/91/405028791.db2.gz DOPYKRWYZUUFHK-MBVDDHJVSA-N 0 0 321.348 2.089 10 30 DEEERN COc1ccc(F)c(C(=O)Nc2cc(C#N)ccn2)c1OC ZINC000435988291 405034980 /nfs/dbraw/zinc/03/49/80/405034980.db2.gz GDJZXCUGNQIUSM-UHFFFAOYSA-N 0 0 301.277 2.362 10 30 DEEERN Cc1nc(C(=O)Nc2cc(C#N)ccn2)nn1-c1ccc(F)cc1 ZINC000436004592 405035133 /nfs/dbraw/zinc/03/51/33/405035133.db2.gz DQYXKMVDRAIGED-UHFFFAOYSA-N 0 0 322.303 2.234 10 30 DEEERN CC(=O)N1CC[C@H](C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000408066223 405102573 /nfs/dbraw/zinc/10/25/73/405102573.db2.gz WBCYESMITREDDO-SFHVURJKSA-N 0 0 323.396 2.042 10 30 DEEERN COC[C@H]1CN(c2nc3c(cc2C#N)CCC3)CC(C)(C)O1 ZINC000408030299 405093672 /nfs/dbraw/zinc/09/36/72/405093672.db2.gz FSYFXLBPOYJWAH-CQSZACIVSA-N 0 0 301.390 2.072 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCC[C@H]1COc1cccnc1C ZINC000416357335 405120153 /nfs/dbraw/zinc/12/01/53/405120153.db2.gz DFMAYEFZTZPKQG-YOEHRIQHSA-N 0 0 304.390 2.087 10 30 DEEERN C=CCC1(C(=O)Nc2cccc(NC(N)=O)c2)CCOCC1 ZINC000424576156 405120642 /nfs/dbraw/zinc/12/06/42/405120642.db2.gz XYWAYSINKXJJTG-UHFFFAOYSA-N 0 0 303.362 2.489 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CCOCC1 ZINC000424736357 405163094 /nfs/dbraw/zinc/16/30/94/405163094.db2.gz KCAURIPNSUGJQF-JKSUJKDBSA-N 0 0 301.386 2.134 10 30 DEEERN C=C(C)C(C)(C)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000424856086 405197985 /nfs/dbraw/zinc/19/79/85/405197985.db2.gz VFOZYAABYLJUQU-GFCCVEGCSA-N 0 0 307.415 2.276 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)Nc1nc(COC)cs1 ZINC000354423857 405206678 /nfs/dbraw/zinc/20/66/78/405206678.db2.gz SLWQEAHJAASAMY-JTQLQIEISA-N 0 0 311.407 2.089 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCOc1ccccc1OC ZINC000424913146 405211537 /nfs/dbraw/zinc/21/15/37/405211537.db2.gz JKFVCSFMMLQLRO-KBPBESRZSA-N 0 0 305.374 2.171 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1(c2cccc(OC)c2)CC1 ZINC000424926825 405213993 /nfs/dbraw/zinc/21/39/93/405213993.db2.gz USYXPRXXAFNJDA-BBRMVZONSA-N 0 0 301.386 2.434 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000424931007 405214680 /nfs/dbraw/zinc/21/46/80/405214680.db2.gz IIGRXPAGSGSJQO-FZMZJTMJSA-N 0 0 301.346 2.299 10 30 DEEERN C=CCOC[C@H]1NC(=O)N([C@H]2CCCc3c(F)cccc32)C1=O ZINC000419965583 405275765 /nfs/dbraw/zinc/27/57/65/405275765.db2.gz KBQCHMTVTDBWBD-CABCVRRESA-N 0 0 318.348 2.326 10 30 DEEERN C=CC(C)(C)c1nc(-c2ccc(N3CCN(C)CC3)nc2)no1 ZINC000453101949 405284243 /nfs/dbraw/zinc/28/42/43/405284243.db2.gz ZSEIPFJJTLNSAW-UHFFFAOYSA-N 0 0 313.405 2.347 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CC[S@@](=O)C(CC)(CC)C1 ZINC000438443101 405246575 /nfs/dbraw/zinc/24/65/75/405246575.db2.gz LKADBJNVLOOXJQ-YCRPNKLZSA-N 0 0 315.479 2.365 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000425891562 405326593 /nfs/dbraw/zinc/32/65/93/405326593.db2.gz YOHYMGMMPDWVOG-JONQDZQNSA-N 0 0 322.449 2.025 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000425888289 405326696 /nfs/dbraw/zinc/32/66/96/405326696.db2.gz OWTGHJWMXCBQTJ-UGUYLWEFSA-N 0 0 322.449 2.026 10 30 DEEERN C=C(CC)CNC(=O)N[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000454420538 405344020 /nfs/dbraw/zinc/34/40/20/405344020.db2.gz DLPCRILTRFPEPT-ZDUSSCGKSA-N 0 0 317.389 2.066 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N(CCOC)Cc1ccnn1C ZINC000426221798 405345378 /nfs/dbraw/zinc/34/53/78/405345378.db2.gz DROSQTQYPGBYHA-CQSZACIVSA-N 0 0 308.426 2.323 10 30 DEEERN C=CCN(C)c1nnc([C@]2(C)CCCO2)n1CCCOCC ZINC000453474415 405292124 /nfs/dbraw/zinc/29/21/24/405292124.db2.gz HNHALULSOYCGLC-INIZCTEOSA-N 0 0 308.426 2.353 10 30 DEEERN C=CCC1(CNC(=O)N(CC)Cc2cn(C)nn2)CCCC1 ZINC000455480981 405416512 /nfs/dbraw/zinc/41/65/12/405416512.db2.gz QWGHNRQNTZMYLY-UHFFFAOYSA-N 0 0 305.426 2.483 10 30 DEEERN C=CCCCNC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000448380322 405420943 /nfs/dbraw/zinc/42/09/43/405420943.db2.gz FGOHEUWLLKNMBP-OWCLPIDISA-N 0 0 309.454 2.236 10 30 DEEERN COCCN(Cc1cccs1)C(=O)c1ccc(C#N)n1C ZINC000448649006 405431900 /nfs/dbraw/zinc/43/19/00/405431900.db2.gz RYBZGXHTZPBJPX-UHFFFAOYSA-N 0 0 303.387 2.247 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)Cc1cc(F)cc(OC)c1 ZINC000455606157 405433163 /nfs/dbraw/zinc/43/31/63/405433163.db2.gz NMQFWSCNEKEZHL-BXUZGUMPSA-N 0 0 310.369 2.002 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000448915357 405463586 /nfs/dbraw/zinc/46/35/86/405463586.db2.gz WZXSDGDYWSPHDF-YJNKXOJESA-N 0 0 311.447 2.091 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000633380208 405609056 /nfs/dbraw/zinc/60/90/56/405609056.db2.gz VGOKJEIZKQEVBX-AWEZNQCLSA-N 0 0 307.438 2.431 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N(C)[C@@H](C)CS(C)(=O)=O ZINC000633410821 405628546 /nfs/dbraw/zinc/62/85/46/405628546.db2.gz DCZGEYKTDKZLCY-LBPRGKRZSA-N 0 0 304.456 2.053 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000458788277 405593358 /nfs/dbraw/zinc/59/33/58/405593358.db2.gz ZVKTUFSINLGREO-DOMZBBRYSA-N 0 0 322.380 2.448 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N(C)[C@@H](C)c1ccncc1 ZINC000582311139 405705950 /nfs/dbraw/zinc/70/59/50/405705950.db2.gz DIQPCORMOQQYCA-AWEZNQCLSA-N 0 0 303.406 2.464 10 30 DEEERN C=CCC1(C(=O)N2CCC(OC)(OC)[C@@H](O)C2)CCCCC1 ZINC000636074488 405723016 /nfs/dbraw/zinc/72/30/16/405723016.db2.gz OLPVLVSPACFUAB-AWEZNQCLSA-N 0 0 311.422 2.095 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000457225849 405761374 /nfs/dbraw/zinc/76/13/74/405761374.db2.gz FJZAYVJVTTUPKC-KRWDZBQOSA-N 0 0 317.389 2.091 10 30 DEEERN CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000450219958 405785579 /nfs/dbraw/zinc/78/55/79/405785579.db2.gz GBERRGKQARQTFE-UHFFFAOYSA-N 0 0 311.389 2.387 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCCO[C@H]1CC(C)C ZINC000583930969 405790062 /nfs/dbraw/zinc/79/00/62/405790062.db2.gz KGCZBMVPDAGWHD-FZKCQIBNSA-N 0 0 310.438 2.470 10 30 DEEERN C=CCOCC(=O)N[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633748978 405819229 /nfs/dbraw/zinc/81/92/29/405819229.db2.gz UGZOJXJSVHKLRH-GFCCVEGCSA-N 0 0 303.280 2.058 10 30 DEEERN C=CCCC(C)(C)CNC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000633964628 405933465 /nfs/dbraw/zinc/93/34/65/405933465.db2.gz PZESGLMDIGSOQM-CQSZACIVSA-N 0 0 320.437 2.011 10 30 DEEERN CC#CCN(C)C(=O)NCc1ccc(OC)c(OC(F)F)c1 ZINC000457691638 405951785 /nfs/dbraw/zinc/95/17/85/405951785.db2.gz YTUDGIUMRMIZDK-UHFFFAOYSA-N 0 0 312.316 2.461 10 30 DEEERN C[C@H]1Oc2ccc(NC(=O)Cc3cccc(C#N)c3)cc2NC1=O ZINC000531386321 405952883 /nfs/dbraw/zinc/95/28/83/405952883.db2.gz ZONHREADSNNMMI-LLVKDONJSA-N 0 0 321.336 2.459 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)NCC[C@@H](O)C(F)F ZINC000634002940 405953768 /nfs/dbraw/zinc/95/37/68/405953768.db2.gz QRXXTPKRKTVVSL-GFCCVEGCSA-N 0 0 315.316 2.006 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCc1ccc(F)cc1 ZINC000636450120 405965051 /nfs/dbraw/zinc/96/50/51/405965051.db2.gz CVFICYZULLQOFK-UHFFFAOYSA-N 0 0 306.381 2.203 10 30 DEEERN COC(=O)c1ccc(CCNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000531147675 405914479 /nfs/dbraw/zinc/91/44/79/405914479.db2.gz ZXOPPVLSRDISDG-UHFFFAOYSA-N 0 0 322.364 2.246 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@@H]2CCc3nc(C)ncc3C2)C1 ZINC000636529214 406001203 /nfs/dbraw/zinc/00/12/03/406001203.db2.gz TZZUJDHETWRUMY-DZGCQCFKSA-N 0 0 300.406 2.250 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1cccc(C)n1 ZINC000636555286 406007576 /nfs/dbraw/zinc/00/75/76/406007576.db2.gz QLCHCLSMARIPCN-UHFFFAOYSA-N 0 0 303.406 2.115 10 30 DEEERN N#CC1(CS(=O)(=O)NCCOCC2CCC2)CCCCC1 ZINC000566713300 406090639 /nfs/dbraw/zinc/09/06/39/406090639.db2.gz GBXAEUYSWRQBDP-UHFFFAOYSA-N 0 0 314.451 2.197 10 30 DEEERN C=CCNC(=O)CNC(=O)[C@@H](c1cccnc1)C1CCCCC1 ZINC000632320904 406091780 /nfs/dbraw/zinc/09/17/80/406091780.db2.gz TXJLEDHJJDLLPF-QGZVFWFLSA-N 0 0 315.417 2.164 10 30 DEEERN C=CCN(CCNC(=O)NC(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000566853032 406091950 /nfs/dbraw/zinc/09/19/50/406091950.db2.gz OYRZLXMOTBUWQB-UHFFFAOYSA-N 0 0 320.393 2.290 10 30 DEEERN C=CC[N@@H+](CCc1ccccc1)C[C@H](O)CC1(O)CCOCC1 ZINC000639461837 406098069 /nfs/dbraw/zinc/09/80/69/406098069.db2.gz WUHFOKFMVHAWEH-GOSISDBHSA-N 0 0 319.445 2.010 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N(C)Cc1ccc(F)cc1C ZINC000459817824 406057637 /nfs/dbraw/zinc/05/76/37/406057637.db2.gz NSOFCGXZEOJHMN-UHFFFAOYSA-N 0 0 304.365 2.293 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)OC ZINC000563384524 406059862 /nfs/dbraw/zinc/05/98/62/406059862.db2.gz UTPUTMHULIUONE-UHFFFAOYSA-N 0 0 318.373 2.274 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCC[C@H]1CCCCO1 ZINC000636755581 406073230 /nfs/dbraw/zinc/07/32/30/406073230.db2.gz HVHHPQMWUAHZOF-CQSZACIVSA-N 0 0 310.438 2.170 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)[C@]1(COC)CCOC1 ZINC000460019243 406074056 /nfs/dbraw/zinc/07/40/56/406074056.db2.gz JPACWRKMVXVWQF-KRWDZBQOSA-N 0 0 307.365 2.393 10 30 DEEERN C=CCOc1ccccc1CNC(=O)NCc1cc(OC)no1 ZINC000636767273 406075869 /nfs/dbraw/zinc/07/58/69/406075869.db2.gz QNEHKVGMQTYKCM-UHFFFAOYSA-N 0 0 317.345 2.247 10 30 DEEERN C=CCCCCCNC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000517391936 406125666 /nfs/dbraw/zinc/12/56/66/406125666.db2.gz RXCSVZTZOOYIHO-UHFFFAOYSA-N 0 0 311.407 2.202 10 30 DEEERN C=CCNC(=O)CN1CCN(CC(F)(F)F)c2ccccc21 ZINC000472326377 406137599 /nfs/dbraw/zinc/13/75/99/406137599.db2.gz LCWCNXXUANWOFG-UHFFFAOYSA-N 0 0 313.323 2.178 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CCO[C@@H](CC)C1 ZINC000636976616 406139020 /nfs/dbraw/zinc/13/90/20/406139020.db2.gz JIDZCBVBARFOLJ-KGLIPLIRSA-N 0 0 310.438 2.169 10 30 DEEERN C=CCNC(=O)c1ccc(N2CCC[C@H]([C@H]3CCOC3)C2)nc1 ZINC000533499002 406148056 /nfs/dbraw/zinc/14/80/56/406148056.db2.gz SVZDUTVFNUYZHL-HOTGVXAUSA-N 0 0 315.417 2.250 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)N[C@@H]1CCCn2nccc21 ZINC000632541830 406176884 /nfs/dbraw/zinc/17/68/84/406176884.db2.gz FEZZHVBGASPTFP-CQSZACIVSA-N 0 0 318.421 2.039 10 30 DEEERN CCOC(=O)c1ncc(NC(=O)Cc2cccc(C#N)c2)s1 ZINC000534304049 406179872 /nfs/dbraw/zinc/17/98/72/406179872.db2.gz VMJUSTAIHLJFQZ-UHFFFAOYSA-N 0 0 315.354 2.373 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC(COC)(C2CC2)C1 ZINC000637117422 406181348 /nfs/dbraw/zinc/18/13/48/406181348.db2.gz REVGPMSSKJHZOE-ZFWWWQNUSA-N 0 0 308.422 2.036 10 30 DEEERN C=CCCCS(=O)(=O)NCC(=O)c1cccc(F)c1F ZINC000632604884 406197340 /nfs/dbraw/zinc/19/73/40/406197340.db2.gz ZVKHJSHWYKTIDB-UHFFFAOYSA-N 0 0 303.330 2.033 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000568384918 406217855 /nfs/dbraw/zinc/21/78/55/406217855.db2.gz XMTAIGHXCFJZLF-JYJNAYRXSA-N 0 0 308.422 2.178 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CC2(CCC2)OC[C@H]1C ZINC000632661489 406218898 /nfs/dbraw/zinc/21/88/98/406218898.db2.gz CJGIMPDJOYIATP-CQSZACIVSA-N 0 0 322.449 2.265 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000568504202 406219267 /nfs/dbraw/zinc/21/92/67/406219267.db2.gz LUNGNXYIHQJYJS-ONGXEEELSA-N 0 0 318.299 2.158 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1COc2cccc(C)c2C1 ZINC000637232527 406222705 /nfs/dbraw/zinc/22/27/05/406222705.db2.gz YGHFPQQMSQXAJN-DZKIICNBSA-N 0 0 316.401 2.189 10 30 DEEERN C[C@H](C#N)CNC(=O)NCCc1ccccc1Br ZINC000519734792 406243170 /nfs/dbraw/zinc/24/31/70/406243170.db2.gz ZSDHVURWVRVSLY-SNVBAGLBSA-N 0 0 310.195 2.450 10 30 DEEERN Cn1cc([C@H](NC(=O)c2ccc(C#N)s2)C(F)(F)F)cn1 ZINC000487737137 406260423 /nfs/dbraw/zinc/26/04/23/406260423.db2.gz ZIQBURUDNALZJU-JTQLQIEISA-N 0 0 314.292 2.387 10 30 DEEERN C=CCN(C(=O)NC[C@@H]1Cc2ccccc2CO1)[C@@H](C)COC ZINC000637346190 406268693 /nfs/dbraw/zinc/26/86/93/406268693.db2.gz SJFSKROHDHCCRI-YOEHRIQHSA-N 0 0 318.417 2.360 10 30 DEEERN Cn1c2cc(NC(=O)Cc3cccc(C#N)c3)ccc2[nH]c1=O ZINC000519863030 406265703 /nfs/dbraw/zinc/26/57/03/406265703.db2.gz ZJEAUAAYKNIICI-UHFFFAOYSA-N 0 0 306.325 2.332 10 30 DEEERN C=CCn1c(S[C@@H]2CCCNC2=O)nnc1-c1ccoc1C ZINC000488025424 406286741 /nfs/dbraw/zinc/28/67/41/406286741.db2.gz LZTOUYQUVMFOOV-GFCCVEGCSA-N 0 0 318.402 2.403 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)c1cnc2c(cnn2C)c1OC ZINC000488831149 406353168 /nfs/dbraw/zinc/35/31/68/406353168.db2.gz SBROCPUEPYHWSK-LLVKDONJSA-N 0 0 300.362 2.158 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000488857956 406355076 /nfs/dbraw/zinc/35/50/76/406355076.db2.gz CODCAZDBPLXNLY-LLVKDONJSA-N 0 0 317.780 2.496 10 30 DEEERN COC(=O)COc1ccc(C(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000540958147 406297269 /nfs/dbraw/zinc/29/72/69/406297269.db2.gz FBRMJKSZFXRSMW-UHFFFAOYSA-N 0 0 316.357 2.004 10 30 DEEERN C=C1CC(C)(C(=O)NCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000633046498 406361616 /nfs/dbraw/zinc/36/16/16/406361616.db2.gz XEJFGKRSDVRQBC-UHFFFAOYSA-N 0 0 312.369 2.145 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)NCC1([C@H]2CCCCO2)CCC1 ZINC000637694291 406390935 /nfs/dbraw/zinc/39/09/35/406390935.db2.gz JNDHEYAJURKASJ-LSDHHAIUSA-N 0 0 310.438 2.352 10 30 DEEERN CC(=O)N1CCc2c1cccc2NC(=O)c1cc(C#N)cn1C ZINC000547427283 406410009 /nfs/dbraw/zinc/41/00/09/406410009.db2.gz MUOQIXHYFJXZNG-UHFFFAOYSA-N 0 0 308.341 2.058 10 30 DEEERN C=C1CC(C)(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2O)C1 ZINC000633062272 406369670 /nfs/dbraw/zinc/36/96/70/406369670.db2.gz UJSXTPAXGUNPPE-NWDGAFQWSA-N 0 0 317.389 2.223 10 30 DEEERN C=CCOCCCC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000525190981 406473709 /nfs/dbraw/zinc/47/37/09/406473709.db2.gz ZOZVOLPQIAYTJJ-UHFFFAOYSA-N 0 0 304.390 2.445 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccnc(OC)c1 ZINC000635261217 406479288 /nfs/dbraw/zinc/47/92/88/406479288.db2.gz WXEDNSVAGMMSHB-UHFFFAOYSA-N 0 0 305.378 2.137 10 30 DEEERN CN(CC(=O)Nc1cc(F)cc(F)c1)c1ccncc1C#N ZINC000547824908 406451561 /nfs/dbraw/zinc/45/15/61/406451561.db2.gz CHHAPHQKVZQHDA-UHFFFAOYSA-N 0 0 302.284 2.306 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc2c(c1)CCCN2 ZINC000573557269 406774061 /nfs/dbraw/zinc/77/40/61/406774061.db2.gz ZQZIUUOMIRYWBP-RDJZCZTQSA-N 0 0 315.417 2.435 10 30 DEEERN COC(=O)Cc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1C#N ZINC000575395594 406808799 /nfs/dbraw/zinc/80/87/99/406808799.db2.gz IZOGHNNHTIBRFY-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN CCOC(=O)Cc1c(C#N)cc([N+](=O)[O-])cc1OC(F)(F)F ZINC000575395723 406808960 /nfs/dbraw/zinc/80/89/60/406808960.db2.gz NGUOVHDERFHBQJ-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000129406840 196045564 /nfs/dbraw/zinc/04/55/64/196045564.db2.gz FTGMLXMIVUSTEE-BBRMVZONSA-N 0 0 302.374 2.101 10 30 DEEERN CN[C@@H](C#N)c1ncc(Br)cc1Br ZINC000129870446 196081833 /nfs/dbraw/zinc/08/18/33/196081833.db2.gz WDCUIVUHXJMMAZ-ZETCQYMHSA-N 0 0 304.973 2.391 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(OCC(C)C)nc1 ZINC000130554262 196091010 /nfs/dbraw/zinc/09/10/10/196091010.db2.gz SVOWNIXFPNNVGL-UHFFFAOYSA-N 0 0 319.405 2.480 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(OCC)c(OC)c1 ZINC000130593961 196094568 /nfs/dbraw/zinc/09/45/68/196094568.db2.gz LIEBDVOCHVXMHU-UHFFFAOYSA-N 0 0 320.389 2.457 10 30 DEEERN N#Cc1cc(NS(=O)(=O)c2ccc(N)c(F)c2)ccc1F ZINC000131004709 196131486 /nfs/dbraw/zinc/13/14/86/196131486.db2.gz AGTJDJGWHGNJII-UHFFFAOYSA-N 0 0 309.297 2.219 10 30 DEEERN Cc1cc(C#CCO)cc(C(=O)N2C[C@H](C)S[C@@H](C)C2)c1 ZINC000131663174 196188686 /nfs/dbraw/zinc/18/86/86/196188686.db2.gz DORKJQRALURNRG-KBPBESRZSA-N 0 0 303.427 2.305 10 30 DEEERN Cc1[nH]nc(C(=O)Nc2ccc(Br)cc2C#N)c1N ZINC000132037527 196221538 /nfs/dbraw/zinc/22/15/38/196221538.db2.gz UNVQYGOQOIYWJL-UHFFFAOYSA-N 0 0 320.150 2.187 10 30 DEEERN N#Cc1c(Cl)n([C@@H]2CCS(=O)(=O)C2)nc1C1CCCC1 ZINC000134263173 196375085 /nfs/dbraw/zinc/37/50/85/196375085.db2.gz ASQBIFNTLNUHHV-SNVBAGLBSA-N 0 0 313.810 2.425 10 30 DEEERN CC#CCNC(=O)N[C@H](CC(=O)OCC)c1ccccc1C ZINC000135971862 196512635 /nfs/dbraw/zinc/51/26/35/196512635.db2.gz YILFEOGNMQMICY-OAHLLOKOSA-N 0 0 302.374 2.312 10 30 DEEERN N#CCCN(Cc1ccccn1)C(=O)c1cnn2c1CCCC2 ZINC000127356231 224627156 /nfs/dbraw/zinc/62/71/56/224627156.db2.gz KGAZLLKJBDVTKW-UHFFFAOYSA-N 0 0 309.373 2.170 10 30 DEEERN Cc1ccccc1C(=O)NCC(=O)N[C@@H](C#N)C1CCCCC1 ZINC000155189601 224681764 /nfs/dbraw/zinc/68/17/64/224681764.db2.gz ZYRWRAKYTIAOTF-INIZCTEOSA-N 0 0 313.401 2.314 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@](C)(O)CCC(C)C ZINC000178793900 224873951 /nfs/dbraw/zinc/87/39/51/224873951.db2.gz NBFGSYPQBGAOKV-INIZCTEOSA-N 0 0 324.446 2.332 10 30 DEEERN COC[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H](C)O1 ZINC000188233734 225014404 /nfs/dbraw/zinc/01/44/04/225014404.db2.gz VKVTXODWAQMMPY-BBRMVZONSA-N 0 0 314.385 2.118 10 30 DEEERN N#Cc1ccc(C2(C(=O)NCC(=O)Nc3ccccc3)CC2)cc1 ZINC000188512864 225022344 /nfs/dbraw/zinc/02/23/44/225022344.db2.gz SPEUQYSWTBNBAG-UHFFFAOYSA-N 0 0 319.364 2.345 10 30 DEEERN N#Cc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1O ZINC000188682496 225030138 /nfs/dbraw/zinc/03/01/38/225030138.db2.gz WIYCTGNRQCAEQB-RHSMWYFYSA-N 0 0 300.358 2.031 10 30 DEEERN CCn1cc([C@H]2CN(CC#Cc3ccc(F)cc3)CCO2)cn1 ZINC000190774497 225094680 /nfs/dbraw/zinc/09/46/80/225094680.db2.gz BOSKNZBLEQPNQK-GOSISDBHSA-N 0 0 313.376 2.467 10 30 DEEERN C[C@@](C#N)(NC(=O)CN1CC2(CCCC2)OC(C)(C)C1)C1CC1 ZINC000190962666 225098617 /nfs/dbraw/zinc/09/86/17/225098617.db2.gz IDQVHEIQCLZNLE-KRWDZBQOSA-N 0 0 319.449 2.218 10 30 DEEERN COc1ccccc1O[C@@H]1CCCN(c2nccc(C#N)n2)C1 ZINC000295681913 225118308 /nfs/dbraw/zinc/11/83/08/225118308.db2.gz MHGLVFJJOKGFQM-CQSZACIVSA-N 0 0 310.357 2.405 10 30 DEEERN O=C(NC[C@@H]1CCOc2ccccc21)N[C@@H]1CCCC[C@@H]1O ZINC000329215705 225849474 /nfs/dbraw/zinc/84/94/74/225849474.db2.gz NDJGZCNNCCEPHW-CFVMTHIKSA-N 0 0 304.390 2.360 10 30 DEEERN O=C(NCC(=O)N1CCOCC1)Nc1csc2ccccc12 ZINC000329436878 225880383 /nfs/dbraw/zinc/88/03/83/225880383.db2.gz MBCFDPWUEBLDCD-UHFFFAOYSA-N 0 0 319.386 2.086 10 30 DEEERN CCn1nc(C(=O)NC[C@H]2CCCCO2)c(=O)c2ccccc21 ZINC000329573062 225898020 /nfs/dbraw/zinc/89/80/20/225898020.db2.gz RELPOAZYUJKYNV-GFCCVEGCSA-N 0 0 315.373 2.290 10 30 DEEERN N#C[C@@H]1CN(Cc2cnc([C@H]3CCCO3)s2)CCN1C1CC1 ZINC000371328159 227067554 /nfs/dbraw/zinc/06/75/54/227067554.db2.gz SLIDQSJWFGIJIL-UKRRQHHQSA-N 0 0 318.446 2.167 10 30 DEEERN Cc1ccc(CN2CCN(C3CC3)[C@@H](C#N)C2)cc1[N+](=O)[O-] ZINC000371335881 227067739 /nfs/dbraw/zinc/06/77/39/227067739.db2.gz MIWCZBUIGHYGKY-HNNXBMFYSA-N 0 0 300.362 2.075 10 30 DEEERN CC(=O)N1CCC[C@H]1C(=O)N(C)c1cc(Cl)ccc1C#N ZINC000291540539 222454479 /nfs/dbraw/zinc/45/44/79/222454479.db2.gz SRRFCWOJGRAZRS-ZDUSSCGKSA-N 0 0 305.765 2.185 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cc(O)c3ccccc3c2)CCN1C1CC1 ZINC000376882651 227176750 /nfs/dbraw/zinc/17/67/50/227176750.db2.gz UGIXFJGOIYTHTL-INIZCTEOSA-N 0 0 321.380 2.358 10 30 DEEERN CCc1noc([C@H](C)N2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000408380663 227232383 /nfs/dbraw/zinc/23/23/83/227232383.db2.gz BPKFVFYAGHSRPS-BFHYXJOUSA-N 0 0 303.410 2.003 10 30 DEEERN Cc1ccc(NC[C@H](O)COc2ccc(F)cc2)nc1C#N ZINC000302610356 230316376 /nfs/dbraw/zinc/31/63/76/230316376.db2.gz DUGAKKJAPYAZGT-ZDUSSCGKSA-N 0 0 301.321 2.253 10 30 DEEERN Cc1cc([NH+]=C([O-])N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)no1 ZINC000329282445 424904039 /nfs/dbraw/zinc/90/40/39/424904039.db2.gz NOHAMZIDXCDJHW-LLVKDONJSA-N 0 0 317.393 2.818 10 30 DEEERN CN(C(=O)CNc1ccc(C#N)cn1)C(C)(C)c1ccccc1 ZINC000586834534 424994199 /nfs/dbraw/zinc/99/41/99/424994199.db2.gz VHEDSJOKNYDWEZ-UHFFFAOYSA-N 0 0 308.385 2.759 10 30 DEEERN C=CCNc1ncc(C(=O)NCC2CCC(OC)CC2)s1 ZINC000433067791 425020525 /nfs/dbraw/zinc/02/05/25/425020525.db2.gz OSCHQWIAGDBVKM-UHFFFAOYSA-N 0 0 309.435 2.676 10 30 DEEERN C=CCC(C)(C)C(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1 ZINC000598542695 425038916 /nfs/dbraw/zinc/03/89/16/425038916.db2.gz SUUFXQGICRSQPI-UHFFFAOYSA-N 0 0 307.394 2.766 10 30 DEEERN C[C@H]1C[C@@H]1c1nnc2ccc(NCC3CCC(C#N)CC3)nn21 ZINC000450498231 425074750 /nfs/dbraw/zinc/07/47/50/425074750.db2.gz GDLJAXYWDGQRFU-ABXWRUBCSA-N 0 0 310.405 2.990 10 30 DEEERN CN(C[C@H]1CCCOC1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000173792566 267483182 /nfs/dbraw/zinc/48/31/82/267483182.db2.gz CDPXKVLUBIJPBV-OAHLLOKOSA-N 0 0 317.389 2.005 10 30 DEEERN N#Cc1ccc(OCCNC(=O)NCc2cccc(C#N)c2)cc1 ZINC000175440972 268174889 /nfs/dbraw/zinc/17/48/89/268174889.db2.gz VGOISIXYGZRKJD-UHFFFAOYSA-N 0 0 320.352 2.308 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2cccc(N3CCNC3=O)c2)c1 ZINC000531146196 268278539 /nfs/dbraw/zinc/27/85/39/268278539.db2.gz KFBGPNOKNIFMRD-UHFFFAOYSA-N 0 0 320.352 2.269 10 30 DEEERN Cc1ncc(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1C#N ZINC000314611401 268843855 /nfs/dbraw/zinc/84/38/55/268843855.db2.gz VKDUXONTWHTMHZ-BETUJISGSA-N 0 0 305.403 2.072 10 30 DEEERN N#Cc1cc(Br)cnc1N1CCN(C2CC2)CC1 ZINC000295410261 274918894 /nfs/dbraw/zinc/91/88/94/274918894.db2.gz DEBZOHCOKOHUGK-UHFFFAOYSA-N 0 0 307.195 2.000 10 30 DEEERN CC#CCNC(=O)N[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000189560069 275441637 /nfs/dbraw/zinc/44/16/37/275441637.db2.gz XVYQXSUHHGSYDU-HNNXBMFYSA-N 0 0 313.401 2.040 10 30 DEEERN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2nccnc2C#N)C1 ZINC000329371199 275800308 /nfs/dbraw/zinc/80/03/08/275800308.db2.gz IXPYSYMUZZKTCL-LLVKDONJSA-N 0 0 311.349 2.063 10 30 DEEERN C=CCNC(=O)N[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000189688672 276901925 /nfs/dbraw/zinc/90/19/25/276901925.db2.gz RUSIVAPZRMMVEQ-CQSZACIVSA-N 0 0 301.390 2.202 10 30 DEEERN CC(=O)N1CCc2cc(NC(=O)N[C@H]3CCC[C@H]3C#N)ccc21 ZINC000408235685 277012012 /nfs/dbraw/zinc/01/20/12/277012012.db2.gz LDOYXESIQKOXOW-ZFWWWQNUSA-N 0 0 312.373 2.409 10 30 DEEERN CC(C)(C)c1nnsc1C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000330323829 277280161 /nfs/dbraw/zinc/28/01/61/277280161.db2.gz TVXLLZAJYYURPG-VIFPVBQESA-N 0 0 305.407 2.421 10 30 DEEERN COC(=O)[C@@]12CCC[C@H]1CN(c1ccc(C#N)cc1[N+](=O)[O-])C2 ZINC000302167143 277379212 /nfs/dbraw/zinc/37/92/12/277379212.db2.gz LAOHYKGXQPMZJP-BLLLJJGKSA-N 0 0 315.329 2.246 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCS(=O)(=O)C(CC)(CC)C1 ZINC000331194697 277782431 /nfs/dbraw/zinc/78/24/31/277782431.db2.gz WOWSFDLFRLRRAQ-ZDUSSCGKSA-N 0 0 301.452 2.405 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1nnc2n1CCCCC2 ZINC000372675120 277918933 /nfs/dbraw/zinc/91/89/33/277918933.db2.gz NTCKJLNIGQUNSV-CXAGYDPISA-N 0 0 320.437 2.411 10 30 DEEERN CC(=O)N(CCC(=O)NC1(C#N)CCCC1)Cc1ccccc1 ZINC000101948770 277970382 /nfs/dbraw/zinc/97/03/82/277970382.db2.gz OSCBVPXFVCQHRS-UHFFFAOYSA-N 0 0 313.401 2.378 10 30 DEEERN CCN(CCC#N)C(=O)CN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000170762617 279172794 /nfs/dbraw/zinc/17/27/94/279172794.db2.gz XPDAZFITEXFMGB-RDJZCZTQSA-N 0 0 315.417 2.211 10 30 DEEERN N#Cc1ccc(N[C@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000062961572 279525471 /nfs/dbraw/zinc/52/54/71/279525471.db2.gz PQICAXZWHDWSJV-VIFPVBQESA-N 0 0 304.293 2.176 10 30 DEEERN CCO[C@H]1C[C@@H](NC(=O)c2ccc(C#N)n2C)C12CCCC2 ZINC000449984870 279917971 /nfs/dbraw/zinc/91/79/71/279917971.db2.gz AEXKGJMHXKCTEH-CABCVRRESA-N 0 0 301.390 2.364 10 30 DEEERN CC(C)[C@H](C(=O)N1CCC(C)(C#N)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000356991379 280141153 /nfs/dbraw/zinc/14/11/53/280141153.db2.gz TVELJOZUEFLPKL-OWCLPIDISA-N 0 0 321.465 2.272 10 30 DEEERN COc1ccc(CSCC(=O)NC2CCOCC2)cc1C#N ZINC000135350201 282067986 /nfs/dbraw/zinc/06/79/86/282067986.db2.gz SGQRWMFUBCCPNF-UHFFFAOYSA-N 0 0 320.414 2.095 10 30 DEEERN C=CCn1c(N2CCC[C@H](CO)[C@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000556900430 331751059 /nfs/dbraw/zinc/75/10/59/331751059.db2.gz BKYBBMUJCMBOLR-CKEIUWERSA-N 0 0 320.437 2.087 10 30 DEEERN Cc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1F ZINC000363407513 331899146 /nfs/dbraw/zinc/89/91/46/331899146.db2.gz YZYRLOZVFKJOKE-CQSZACIVSA-N 0 0 302.353 2.338 10 30 DEEERN C=CCn1c(C(C)C)nnc1N1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000558674518 331933955 /nfs/dbraw/zinc/93/39/55/331933955.db2.gz CBHCBTSWTAZTLI-RHSMWYFYSA-N 0 0 320.437 2.362 10 30 DEEERN N#CC1(NC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)CCCC1 ZINC000106772858 332261328 /nfs/dbraw/zinc/26/13/28/332261328.db2.gz POZWOLKRWMVPKY-UHFFFAOYSA-N 0 0 312.373 2.131 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1ccc(F)c(F)c1 ZINC000574340115 332347797 /nfs/dbraw/zinc/34/77/97/332347797.db2.gz VDUSVAKVAAJVGN-UHFFFAOYSA-N 0 0 310.344 2.444 10 30 DEEERN C=CCCCCCNC(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000566420226 332398464 /nfs/dbraw/zinc/39/84/64/332398464.db2.gz LFQGWZRFHIDZDZ-UHFFFAOYSA-N 0 0 315.377 2.147 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(CC(C)C)[nH]c(=O)c1 ZINC000562995878 333025985 /nfs/dbraw/zinc/02/59/85/333025985.db2.gz ALDDHYBBIBBLCI-WFASDCNBSA-N 0 0 304.390 2.307 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc2cc3c(cc2[nH]1)OCO3 ZINC000563021114 333064876 /nfs/dbraw/zinc/06/48/76/333064876.db2.gz ARJSEPBMUGQQLP-YMTOWFKASA-N 0 0 315.329 2.211 10 30 DEEERN N#Cc1ccc(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 ZINC000189647646 333201254 /nfs/dbraw/zinc/20/12/54/333201254.db2.gz FRMOTTMNGDACNG-UHFFFAOYSA-N 0 0 307.401 2.481 10 30 DEEERN C=CCCCCCNC(=O)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000563373395 333595514 /nfs/dbraw/zinc/59/55/14/333595514.db2.gz IQCKCNTXQREHFD-CQSZACIVSA-N 0 0 310.442 2.178 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@@H]1C[C@@H](OCC)[C@H]1n1cccn1)OCC ZINC000342114762 334511056 /nfs/dbraw/zinc/51/10/56/334511056.db2.gz CTMJTJFHYRKACO-DLTWYDFYSA-N 0 0 321.421 2.089 10 30 DEEERN C=CCNC(=O)N(Cc1ccccc1)[C@H](C)CN1CCOCC1 ZINC000076996041 334923700 /nfs/dbraw/zinc/92/37/00/334923700.db2.gz UCLPUVZPLPZNBQ-MRXNPFEDSA-N 0 0 317.433 2.105 10 30 DEEERN Cn1c(CC#N)nnc1SCc1noc(-c2ccccc2)n1 ZINC000357098972 336573622 /nfs/dbraw/zinc/57/36/22/336573622.db2.gz LXBPCNRWVXKXAB-UHFFFAOYSA-N 0 0 312.358 2.223 10 30 DEEERN C[C@@H](CNS(=O)(=O)CCCC#N)c1ccc(F)cc1F ZINC000174005202 337140558 /nfs/dbraw/zinc/14/05/58/337140558.db2.gz YYBQYXPUESECII-JTQLQIEISA-N 0 0 302.346 2.291 10 30 DEEERN CCn1cnnc1[C@@H]1CCCN(C(=O)C#Cc2ccccc2)C1 ZINC000176254662 337149578 /nfs/dbraw/zinc/14/95/78/337149578.db2.gz NSYUFTFMZPVKRW-MRXNPFEDSA-N 0 0 308.385 2.056 10 30 DEEERN CC#CCCCC(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000185274874 337203900 /nfs/dbraw/zinc/20/39/00/337203900.db2.gz MBLXVRPTRAHFQK-LBPRGKRZSA-N 0 0 305.403 2.266 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N(C)[C@@H](C)c1cccnc1 ZINC000583763193 337331393 /nfs/dbraw/zinc/33/13/93/337331393.db2.gz SMQCPVYEVWCNQC-AWEZNQCLSA-N 0 0 303.406 2.464 10 30 DEEERN N#Cc1cccc(-c2cnc3[n-][nH+]cc(N4CCOCC4)c2-3)c1 ZINC000584598774 337370658 /nfs/dbraw/zinc/37/06/58/337370658.db2.gz JGEKLIDEAKFCJJ-UHFFFAOYSA-N 0 0 305.341 2.333 10 30 DEEERN CCOC(=O)C1=C(O)C(I)=CC[C@H]1C ZINC000584604464 337371335 /nfs/dbraw/zinc/37/13/35/337371335.db2.gz FLVMILNKUYAVIL-SVRRBLITSA-N 0 0 308.115 2.094 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C ZINC000497072148 340019610 /nfs/dbraw/zinc/01/96/10/340019610.db2.gz MVPBXOGPEOQNHT-IIYDPXPESA-N 0 0 324.421 2.236 10 30 DEEERN C=C(C)C[C@@H](C)c1nc(-c2ccc(S(N)(=O)=O)cc2)no1 ZINC000510714956 340307571 /nfs/dbraw/zinc/30/75/71/340307571.db2.gz MBINRBOJNNDMST-SNVBAGLBSA-N 0 0 307.375 2.454 10 30 DEEERN Cc1cc(Br)c(S(=O)(=O)NC(C)(C)C#N)s1 ZINC000542713678 341018750 /nfs/dbraw/zinc/01/87/50/341018750.db2.gz VZXNUMGCGDQDOZ-UHFFFAOYSA-N 0 0 323.237 2.400 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(C)c1 ZINC000130535736 341026794 /nfs/dbraw/zinc/02/67/94/341026794.db2.gz FXVPYGRROQEPBX-UHFFFAOYSA-N 0 0 300.318 2.157 10 30 DEEERN C[C@H](C(=O)N(CCC#N)Cc1ccccn1)C1CCOCC1 ZINC000130622293 341034060 /nfs/dbraw/zinc/03/40/60/341034060.db2.gz XTZRAYMWXCJFMO-AWEZNQCLSA-N 0 0 301.390 2.387 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ncc(-c2ccccc2)o1 ZINC000543768267 341057760 /nfs/dbraw/zinc/05/77/60/341057760.db2.gz IIQQSBLRALMBLC-CYBMUJFWSA-N 0 0 301.346 2.078 10 30 DEEERN N#CCC1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000543777918 341058220 /nfs/dbraw/zinc/05/82/20/341058220.db2.gz XSDDEEPNMLOPJR-UHFFFAOYSA-N 0 0 323.374 2.050 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000245917233 341318156 /nfs/dbraw/zinc/31/81/56/341318156.db2.gz SAHOPJPFZKEZDO-XHSDSOJGSA-N 0 0 322.449 2.217 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N1Cc2ccccc2NC(=O)C1 ZINC000567288002 341593385 /nfs/dbraw/zinc/59/33/85/341593385.db2.gz AQQVJJNTONWDGO-AWEZNQCLSA-N 0 0 315.417 2.254 10 30 DEEERN C=CCn1c(N2CC[C@@H](OC(C)C)C2)nnc1[C@]1(C)CCCO1 ZINC000567858546 341637156 /nfs/dbraw/zinc/63/71/56/341637156.db2.gz CMFGTPYWSHAUPR-PBHICJAKSA-N 0 0 320.437 2.493 10 30 DEEERN C=CCOC[C@H]1NC(=O)N(Cc2ccc(C3CC3)cc2F)C1=O ZINC000349125409 341963584 /nfs/dbraw/zinc/96/35/84/341963584.db2.gz KTZHJZLANXCBEJ-OAHLLOKOSA-N 0 0 318.348 2.326 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000372101877 533731207 /nfs/dbraw/zinc/73/12/07/533731207.db2.gz LNCUPOIKTZNZTQ-OAHLLOKOSA-N 0 0 309.373 2.071 10 30 DEEERN Cc1c(C(=O)N2CC(O)(CC#N)C2)sc2nccc(C)c12 ZINC000408158509 533744911 /nfs/dbraw/zinc/74/49/11/533744911.db2.gz LJKPAIJTMMWXTF-UHFFFAOYSA-N 0 0 301.371 2.014 10 30 DEEERN Cc1c(C(=O)Nc2cc(C#N)ccn2)nnn1-c1ccc(C)cc1 ZINC000436015215 533820703 /nfs/dbraw/zinc/82/07/03/533820703.db2.gz MNXKQQOMUCUNHG-UHFFFAOYSA-N 0 0 318.340 2.403 10 30 DEEERN C=CCNC(=S)N/N=C/c1ccc(OC(C)C)c(OC)c1 ZINC000033711973 518948580 /nfs/dbraw/zinc/94/85/80/518948580.db2.gz GJULMMWZEDCLPA-LICLKQGHSA-N 0 0 307.419 2.466 10 30 DEEERN O[C@@H](C[C@@H]1COCCN1CC#Cc1ccccc1)c1ccco1 ZINC000192074058 534403860 /nfs/dbraw/zinc/40/38/60/534403860.db2.gz HJSSXOWDNSNHSL-MSOLQXFVSA-N 0 0 311.381 2.456 10 30 DEEERN C=CCn1c(N(C)CCOCC2CC2)nnc1[C@@]1(C)CCCO1 ZINC000453448011 534441847 /nfs/dbraw/zinc/44/18/47/534441847.db2.gz XRRPXQKVJQNLED-QGZVFWFLSA-N 0 0 320.437 2.353 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000450148132 534579274 /nfs/dbraw/zinc/57/92/74/534579274.db2.gz QTPRKAYBFNKQKX-IKGGRYGDSA-N 0 0 317.385 2.186 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@]1(C)c1ccccc1OC ZINC000449933843 534582815 /nfs/dbraw/zinc/58/28/15/534582815.db2.gz FITRHTNJJFHTPB-BSXOQXRQSA-N 0 0 301.386 2.433 10 30 DEEERN N#CCCCCNC(=O)N1CCC(Nc2nccs2)CC1 ZINC000186989769 534597539 /nfs/dbraw/zinc/59/75/39/534597539.db2.gz RBPFLDNMWXNZIX-UHFFFAOYSA-N 0 0 307.423 2.423 10 30 DEEERN Cc1ccc(CNc2cnc(C#N)cn2)c(O[C@@H]2CCOC2)c1 ZINC000127018264 524619199 /nfs/dbraw/zinc/61/91/99/524619199.db2.gz WINHZYCLRULNBO-OAHLLOKOSA-N 0 0 310.357 2.437 10 30 DEEERN C=CCC[C@@H](NC(=O)c1ncccc1OC(C)C)C(=O)OCC ZINC000456632947 534796987 /nfs/dbraw/zinc/79/69/87/534796987.db2.gz URONXENUAHHMKX-CYBMUJFWSA-N 0 0 320.389 2.497 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000189674034 526290155 /nfs/dbraw/zinc/29/01/55/526290155.db2.gz VJVVQZDQIUHOGX-ZFWWWQNUSA-N 0 0 304.390 2.395 10 30 DEEERN C=CCN1CC[C@@H](N2CCO[C@@H](c3ccc(F)c(C)c3)C2)C1=O ZINC000337193370 526482803 /nfs/dbraw/zinc/48/28/03/526482803.db2.gz VJJRGLOPJHQAMM-IAGOWNOFSA-N 0 0 318.392 2.294 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)CCCC[C@@H](C)C(C)=O)C1=O ZINC000281601676 526491967 /nfs/dbraw/zinc/49/19/67/526491967.db2.gz DJGIFHOUQRVJEO-HIFRSBDPSA-N 0 0 308.422 2.017 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)c2coc3cc(F)ccc23)C1=O ZINC000337094371 526498380 /nfs/dbraw/zinc/49/83/80/526498380.db2.gz OVCSXOWPSYAZJY-AWEZNQCLSA-N 0 0 316.332 2.431 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCOCC1 ZINC000365833131 526661049 /nfs/dbraw/zinc/66/10/49/526661049.db2.gz MVENQWDIKLFYKH-CYBMUJFWSA-N 0 0 302.374 2.358 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000287330881 526673693 /nfs/dbraw/zinc/67/36/93/526673693.db2.gz ORUCYBLRARVGKC-UHFFFAOYSA-N 0 0 317.772 2.390 10 30 DEEERN C#CCCCCC(=O)N[C@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000375272830 526690844 /nfs/dbraw/zinc/69/08/44/526690844.db2.gz TZHGYVBNAJHFRQ-KRWDZBQOSA-N 0 0 312.413 2.140 10 30 DEEERN C#CCCCCNC(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000373784401 526701333 /nfs/dbraw/zinc/70/13/33/526701333.db2.gz ATNICJYSCAZSKG-YQQAZPJKSA-N 0 0 308.422 2.158 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000341952467 526704566 /nfs/dbraw/zinc/70/45/66/526704566.db2.gz RLEHAAPIUQLTRA-STQMWFEESA-N 0 0 324.446 2.456 10 30 DEEERN C=CCOCC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000362181688 526708224 /nfs/dbraw/zinc/70/82/24/526708224.db2.gz GXXSMMOWFQYVMS-UHFFFAOYSA-N 0 0 305.374 2.461 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1[C@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000330405647 526709970 /nfs/dbraw/zinc/70/99/70/526709970.db2.gz YANDNMYJSMGYHL-AIEDFZFUSA-N 0 0 309.406 2.299 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CC(=O)N(C(C)C)C(C)(C)C1)OCC ZINC000339365435 526742539 /nfs/dbraw/zinc/74/25/39/526742539.db2.gz VOJYWTBYPLPSQP-CQSZACIVSA-N 0 0 310.438 2.216 10 30 DEEERN C=CCOCCNC(=O)N(C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000378588066 526774055 /nfs/dbraw/zinc/77/40/55/526774055.db2.gz ABFHCEGRPFFBLQ-CJNGLKHVSA-N 0 0 304.390 2.223 10 30 DEEERN C=C(C)[C@H](CC(=O)NCCCc1c(C)nn(C)c1C)OCC ZINC000341477153 526811762 /nfs/dbraw/zinc/81/17/62/526811762.db2.gz WYEIMNHUSCXFSU-INIZCTEOSA-N 0 0 307.438 2.457 10 30 DEEERN C=CCO[C@@H]1CCN(c2cc(C(C)=O)ccc2S(C)(=O)=O)C1 ZINC000302187855 526820140 /nfs/dbraw/zinc/82/01/40/526820140.db2.gz UUUYVMJXONHYEN-CQSZACIVSA-N 0 0 323.414 2.074 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1COc2cc(F)cc(F)c21 ZINC000377476438 526842334 /nfs/dbraw/zinc/84/23/34/526842334.db2.gz YULQOZWJECTZJT-IFUGULHKSA-N 0 0 309.312 2.496 10 30 DEEERN C=CCC(C)(C)CNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000432554514 527008835 /nfs/dbraw/zinc/00/88/35/527008835.db2.gz CUBYDUSQSXLAON-CQSZACIVSA-N 0 0 319.453 2.290 10 30 DEEERN C=CCSc1ccccc1C(=O)N1CCO[C@@H]([C@@H](C)O)C1 ZINC000412935903 527008719 /nfs/dbraw/zinc/00/87/19/527008719.db2.gz XQSPRSJICUUNQQ-TZMCWYRMSA-N 0 0 307.415 2.187 10 30 DEEERN O=C1CNC(=O)N1Cc1ccc(/N=C/c2ccccc2O)cc1 ZINC000032765445 527012707 /nfs/dbraw/zinc/01/27/07/527012707.db2.gz STNIBDCTUTXKCH-GIJQJNRQSA-N 0 0 309.325 2.195 10 30 DEEERN C=CC[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000116849482 527030501 /nfs/dbraw/zinc/03/05/01/527030501.db2.gz RCIZYAHKNUNIMX-TZMCWYRMSA-N 0 0 306.431 2.362 10 30 DEEERN C=CCC1(C(=O)NCC[C@@H](OC)C(F)(F)F)CCOCC1 ZINC000424798893 527053251 /nfs/dbraw/zinc/05/32/51/527053251.db2.gz UITYBXXSVGXSND-LLVKDONJSA-N 0 0 309.328 2.443 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000341687727 527065096 /nfs/dbraw/zinc/06/50/96/527065096.db2.gz IBDZYSCKKVKGKM-NWDGAFQWSA-N 0 0 310.369 2.379 10 30 DEEERN C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1Cc1ccccc1OC ZINC000294811689 527071149 /nfs/dbraw/zinc/07/11/49/527071149.db2.gz VHBRRIDVFDZBGL-GOEBONIOSA-N 0 0 301.386 2.267 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCc1ccccc1OC(F)F ZINC000191568186 527090190 /nfs/dbraw/zinc/09/01/90/527090190.db2.gz LSLOGJDHAYHKIU-LBPRGKRZSA-N 0 0 314.332 2.067 10 30 DEEERN C=CCCCC(=O)N[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000370064922 527109851 /nfs/dbraw/zinc/10/98/51/527109851.db2.gz LIIGOXRZTJBEDG-CQSZACIVSA-N 0 0 318.421 2.384 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)NCc1nccn1CC ZINC000296688462 527112800 /nfs/dbraw/zinc/11/28/00/527112800.db2.gz BZFIRFGCXGLTQN-UHFFFAOYSA-N 0 0 316.336 2.376 10 30 DEEERN C#CCOc1cccc(NC(=O)C[C@@H]2CCOC[C@H]2OC)c1 ZINC000294459071 527121112 /nfs/dbraw/zinc/12/11/12/527121112.db2.gz CDVYYSJGUCSMHL-XJKSGUPXSA-N 0 0 303.358 2.079 10 30 DEEERN C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000338833808 527124236 /nfs/dbraw/zinc/12/42/36/527124236.db2.gz LZLTYWCDDVYUNF-QMMMGPOBSA-N 0 0 315.295 2.428 10 30 DEEERN C#CC[C@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000371312901 527175115 /nfs/dbraw/zinc/17/51/15/527175115.db2.gz FGAKFXOSAYTXNC-ROUUACIJSA-N 0 0 322.412 2.133 10 30 DEEERN C=CC[C@H](CO)CNC(=O)Nc1cc(OC)cc(OC)c1C ZINC000337609902 527177171 /nfs/dbraw/zinc/17/71/71/527177171.db2.gz UAGONDKZEFWRLL-LBPRGKRZSA-N 0 0 308.378 2.318 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)CCOCc1ccccc1 ZINC000288926173 527200396 /nfs/dbraw/zinc/20/03/96/527200396.db2.gz XVZVBBSLKFTDOF-GDBMZVCRSA-N 0 0 306.406 2.218 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(C(=O)N(CC)CCC)cc1 ZINC000337044089 527206371 /nfs/dbraw/zinc/20/63/71/527206371.db2.gz DLKMKEHEDQGWAT-MRXNPFEDSA-N 0 0 318.417 2.226 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000337077382 527207172 /nfs/dbraw/zinc/20/71/72/527207172.db2.gz RTUULHRUIBCSFS-CQSZACIVSA-N 0 0 312.373 2.016 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000185946215 527208127 /nfs/dbraw/zinc/20/81/27/527208127.db2.gz CEACKUBYQBBXBS-CQSZACIVSA-N 0 0 313.357 2.281 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cccc(Br)c1F ZINC000192210089 527208236 /nfs/dbraw/zinc/20/82/36/527208236.db2.gz HZYLYDQRWJSDAM-MRVPVSSYSA-N 0 0 302.143 2.255 10 30 DEEERN C=CCCCNC(=O)NC[C@@H](Cc1ccccc1Cl)C(N)=O ZINC000448246594 527220715 /nfs/dbraw/zinc/22/07/15/527220715.db2.gz ABHQUUVGAXOYRE-CYBMUJFWSA-N 0 0 323.824 2.249 10 30 DEEERN C=CCCCNC(=O)N[C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000448171470 527221467 /nfs/dbraw/zinc/22/14/67/527221467.db2.gz WKUAPKDKOHPADT-HNNXBMFYSA-N 0 0 303.406 2.471 10 30 DEEERN C=CCc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)cc(OC)c1OC ZINC000377893559 527232249 /nfs/dbraw/zinc/23/22/49/527232249.db2.gz CHAUHQJYOWKPCX-GASCZTMLSA-N 0 0 317.385 2.436 10 30 DEEERN C=CCc1ccc(OCC(=O)N2CC[C@H]2COC)c(OC)c1 ZINC000354034347 527249678 /nfs/dbraw/zinc/24/96/78/527249678.db2.gz FWDWENXLUGLTTQ-AWEZNQCLSA-N 0 0 305.374 2.050 10 30 DEEERN C=CCc1ccc(OCC(=O)N2C[C@@H](O)CC[C@H]2C)c(OC)c1 ZINC000422015816 527250112 /nfs/dbraw/zinc/25/01/12/527250112.db2.gz NQFPWBAEWBTNOA-HIFRSBDPSA-N 0 0 319.401 2.174 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[C@H](C)O ZINC000191964279 527258040 /nfs/dbraw/zinc/25/80/40/527258040.db2.gz DCYNHXXJXVENLQ-ZDUSSCGKSA-N 0 0 318.417 2.364 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000180947251 527292085 /nfs/dbraw/zinc/29/20/85/527292085.db2.gz PJNIFUMRUDJPFL-QWHCGFSZSA-N 0 0 321.425 2.303 10 30 DEEERN C=CCn1c(C(C)C)nnc1N1CC[C@](O)(C(F)(F)F)C1 ZINC000337830820 527292672 /nfs/dbraw/zinc/29/26/72/527292672.db2.gz ZBMNICDYYLISNH-GFCCVEGCSA-N 0 0 304.316 2.091 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CC[C@H](OCCOC)C1 ZINC000337877020 527315845 /nfs/dbraw/zinc/31/58/45/527315845.db2.gz ZNGAJJKAIRQPDY-HNNXBMFYSA-N 0 0 322.453 2.294 10 30 DEEERN C=CCn1c(COCC)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC000351175822 527323505 /nfs/dbraw/zinc/32/35/05/527323505.db2.gz ZCWXUYIWNJLHOF-AWEZNQCLSA-N 0 0 316.409 2.076 10 30 DEEERN C=CCn1c(S[C@@H]2CCNC2=O)nnc1-c1ccccc1F ZINC000179001107 527345644 /nfs/dbraw/zinc/34/56/44/527345644.db2.gz SUCYVCSSSQBLIP-GFCCVEGCSA-N 0 0 318.377 2.251 10 30 DEEERN C=C[C@@H](C)NC(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000362372164 527403155 /nfs/dbraw/zinc/40/31/55/527403155.db2.gz XVKYTPOZKKTNEL-GFCCVEGCSA-N 0 0 307.369 2.240 10 30 DEEERN C=C[C@@H](C)NC(=O)NCc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000355918753 527405966 /nfs/dbraw/zinc/40/59/66/527405966.db2.gz CDCOKWZFZTYQDD-SNVBAGLBSA-N 0 0 303.362 2.119 10 30 DEEERN C=CCCS(=O)(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000292471802 527413939 /nfs/dbraw/zinc/41/39/39/527413939.db2.gz CMEYROSACLIVCM-UHFFFAOYSA-N 0 0 308.325 2.138 10 30 DEEERN C=CCC[C@@H](C(=O)N1CC(C(=O)NCC)C1)c1ccccc1 ZINC000190099498 527422668 /nfs/dbraw/zinc/42/26/68/527422668.db2.gz TWYWXJZKPZIMRZ-MRXNPFEDSA-N 0 0 300.402 2.331 10 30 DEEERN C#Cc1ccc(CNC(=O)NCCCOC2CCOCC2)cc1 ZINC000296712171 527435493 /nfs/dbraw/zinc/43/54/93/527435493.db2.gz IUEJTVBHRRVAMQ-UHFFFAOYSA-N 0 0 316.401 2.053 10 30 DEEERN C#Cc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)CCC)C2)cc1 ZINC000295368353 527436801 /nfs/dbraw/zinc/43/68/01/527436801.db2.gz GFRMIBUGHGPDSC-QGZVFWFLSA-N 0 0 312.413 2.323 10 30 DEEERN C=CCC[C@@H]1NC(=O)N([C@H](CC)c2c(C)nn(C)c2C)C1=O ZINC000419942552 527461320 /nfs/dbraw/zinc/46/13/20/527461320.db2.gz GBWCIIHBGYZDRU-QWHCGFSZSA-N 0 0 304.394 2.375 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1nc(-c2ccco2)oc1C ZINC000424929941 527494871 /nfs/dbraw/zinc/49/48/71/527494871.db2.gz CRMYLFKNWYDALG-JSGCOSHPSA-N 0 0 316.357 2.493 10 30 DEEERN C=C[C@@](C)(CC)c1nc(-c2ccc(S(N)(=O)=O)cc2)no1 ZINC000337995899 527525666 /nfs/dbraw/zinc/52/56/66/527525666.db2.gz XNBUMMFBVYTNAP-AWEZNQCLSA-N 0 0 307.375 2.238 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000189426840 527529180 /nfs/dbraw/zinc/52/91/80/527529180.db2.gz TWAIWRRCTRNNSU-RDJZCZTQSA-N 0 0 304.390 2.290 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCCCNC(=O)c1ccccc1 ZINC000344385360 527531029 /nfs/dbraw/zinc/53/10/29/527531029.db2.gz YJPWNPRZHMCYBJ-SFHVURJKSA-N 0 0 318.417 2.152 10 30 DEEERN C=C[C@H](C)NC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000342243187 527562671 /nfs/dbraw/zinc/56/26/71/527562671.db2.gz ZJAVRFLWCLKWBX-GZBFAFLISA-N 0 0 301.390 2.050 10 30 DEEERN C=C[C@H](CC(=O)NCC(=O)NCc1ccco1)c1ccccc1 ZINC000340068883 527576329 /nfs/dbraw/zinc/57/63/29/527576329.db2.gz TVTSEIMWMTZVQI-CQSZACIVSA-N 0 0 312.369 2.372 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC000190634935 527587455 /nfs/dbraw/zinc/58/74/55/527587455.db2.gz BEJUCMHPQHURDK-GFCCVEGCSA-N 0 0 313.279 2.152 10 30 DEEERN C=CCN(CC=C)C(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC000417479513 527625158 /nfs/dbraw/zinc/62/51/58/527625158.db2.gz AXOAGSKRLAEIDX-OAHLLOKOSA-N 0 0 301.346 2.117 10 30 DEEERN CCN(C)C(=O)c1cccc(C(=O)Nc2cc(C#N)ccn2)c1 ZINC000436030289 527788947 /nfs/dbraw/zinc/78/89/47/527788947.db2.gz UQHRDADJLBTIHT-UHFFFAOYSA-N 0 0 308.341 2.297 10 30 DEEERN CCC[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329228030 527815883 /nfs/dbraw/zinc/81/58/83/527815883.db2.gz ILCAVLGZWXEBAU-ILXRZTDVSA-N 0 0 322.453 2.359 10 30 DEEERN CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@]12CCCO2 ZINC000333212759 527820985 /nfs/dbraw/zinc/82/09/85/527820985.db2.gz KGZZBHXVBNHXAR-XGYYKPKNSA-N 0 0 321.421 2.095 10 30 DEEERN CCCCNC(=O)c1c(NC(=O)[C@H]2CCCCO2)nc(C)n1C ZINC000330856265 528020948 /nfs/dbraw/zinc/02/09/48/528020948.db2.gz TWQFLNMLDIGBGO-GFCCVEGCSA-N 0 0 322.409 2.341 10 30 DEEERN CC(C)[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000246823814 528415080 /nfs/dbraw/zinc/41/50/80/528415080.db2.gz WLXOVZQTNIKVGC-WBVHZDCISA-N 0 0 314.433 2.450 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000189154690 528687091 /nfs/dbraw/zinc/68/70/91/528687091.db2.gz IYMIBRWBZZXPJN-CHWSQXEVSA-N 0 0 317.389 2.341 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](c2nccs2)C1 ZINC000195357603 528693089 /nfs/dbraw/zinc/69/30/89/528693089.db2.gz SVMYVCKVHLVLMZ-KGLIPLIRSA-N 0 0 320.462 2.331 10 30 DEEERN CCOC(=O)CCCNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181424039 528709681 /nfs/dbraw/zinc/70/96/81/528709681.db2.gz WPFRKORMIQZUGE-UHFFFAOYSA-N 0 0 300.358 2.315 10 30 DEEERN CC1(C#N)CCN(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 ZINC000373119434 528837410 /nfs/dbraw/zinc/83/74/10/528837410.db2.gz AUXHHWMOWRAMLY-AWEZNQCLSA-N 0 0 317.393 2.220 10 30 DEEERN CCOC(=O)C[C@H](C)CNC(=O)NCC1CCC(C#N)CC1 ZINC000441037714 528885543 /nfs/dbraw/zinc/88/55/43/528885543.db2.gz RJUMMPVXTJGNPY-HSBZDZAISA-N 0 0 309.410 2.205 10 30 DEEERN CC(C)[C@H](NC(=O)N[C@@H]1CCO[C@@H]1C)c1nnc2ccccn21 ZINC000328952072 529071743 /nfs/dbraw/zinc/07/17/43/529071743.db2.gz XMRKXLVSWSHUGY-BZPMIXESSA-N 0 0 317.393 2.107 10 30 DEEERN CC[C@H](CC#N)NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000183951723 529296691 /nfs/dbraw/zinc/29/66/91/529296691.db2.gz BIWUTPFHVBIKNM-CYBMUJFWSA-N 0 0 319.430 2.409 10 30 DEEERN CCO[C@H]1C[C@@H]1COC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000193143955 625607291 /nfs/dbraw/zinc/60/72/91/625607291.db2.gz LQNPEQLWIGWOCV-ZBFHGGJFSA-N 0 0 319.405 2.314 10 30 DEEERN Cc1cc(COCC(=O)Nc2ccc(F)cc2OCC#N)on1 ZINC000193773616 625664072 /nfs/dbraw/zinc/66/40/72/625664072.db2.gz YRFHOTHSVXHOPQ-UHFFFAOYSA-N 0 0 319.292 2.180 10 30 DEEERN CON=Cc1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000255180141 623754390 /nfs/dbraw/zinc/75/43/90/623754390.db2.gz LSVRSMXOTFCDBU-MRXNPFEDSA-N 0 0 312.373 2.168 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(N2CCC(O)CC2)cc1 ZINC000175978343 624523277 /nfs/dbraw/zinc/52/32/77/624523277.db2.gz LKYVTZVWGXTJEA-UHFFFAOYSA-N 0 0 324.384 2.110 10 30 DEEERN C[C@@H](C#N)NS(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000255913042 625204137 /nfs/dbraw/zinc/20/41/37/625204137.db2.gz YBPHHVFYQYTZLR-UDIARPCQSA-N 0 0 315.192 2.251 10 30 DEEERN C[C@@H](CN1CCOCC1)OC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181616019 625225750 /nfs/dbraw/zinc/22/57/50/625225750.db2.gz ZRLOTNZTPQXQPB-AWEZNQCLSA-N 0 0 314.385 2.119 10 30 DEEERN C#CC[C@H](OC(=O)[C@@H](C)NC(=O)c1ccco1)c1ccccn1 ZINC000073294477 632998449 /nfs/dbraw/zinc/99/84/49/632998449.db2.gz XYOYZDUQMUBTMD-OCCSQVGLSA-N 0 0 312.325 2.101 10 30 DEEERN CC[C@@H](Oc1ccccc1C(C)C)C(=O)OCC(=O)NCC#N ZINC000733551801 633224263 /nfs/dbraw/zinc/22/42/63/633224263.db2.gz ZPGLPDYYPIHFDT-CQSZACIVSA-N 0 0 318.373 2.150 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000733673943 633262853 /nfs/dbraw/zinc/26/28/53/633262853.db2.gz BHIIZCBCETUUCP-UHFFFAOYSA-N 0 0 313.382 2.197 10 30 DEEERN C=C(COC(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)OCC ZINC000734026597 633313043 /nfs/dbraw/zinc/31/30/43/633313043.db2.gz GVSSYOCTDWHETM-UHFFFAOYSA-N 0 0 317.341 2.238 10 30 DEEERN C=CC[C@H](NC(=O)[C@H](C)NC(=O)c1ccco1)c1ccncc1 ZINC000734237785 633348399 /nfs/dbraw/zinc/34/83/99/633348399.db2.gz UPDPEVRLLLOSKI-JSGCOSHPSA-N 0 0 313.357 2.227 10 30 DEEERN N#Cc1ccc(S(=O)(=O)Oc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000102661547 650149994 /nfs/dbraw/zinc/14/99/94/650149994.db2.gz OZEXJMFHRZAFDF-UHFFFAOYSA-N 0 0 322.273 2.373 10 30 DEEERN C#CC[C@H](OC(=O)c1ccnc(O[C@H]2CCOC2)c1)C1CC1 ZINC000183655610 637547041 /nfs/dbraw/zinc/54/70/41/637547041.db2.gz RHWYJSDLHOOVFK-GJZGRUSLSA-N 0 0 301.342 2.208 10 30 DEEERN C=CCCOCC(=O)OC[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000739216623 637597189 /nfs/dbraw/zinc/59/71/89/637597189.db2.gz CIANMQQHHKDOGC-CQSZACIVSA-N 0 0 303.358 2.175 10 30 DEEERN C#C[C@H](C)NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000185327294 637599949 /nfs/dbraw/zinc/59/99/49/637599949.db2.gz ZNWSKOSHOGDLTA-AWEZNQCLSA-N 0 0 306.365 2.221 10 30 DEEERN C=CC[C@@H](NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)c1ccncc1 ZINC000739734403 637689859 /nfs/dbraw/zinc/68/98/59/637689859.db2.gz SPPUKYKBAXEQKM-WTXIUTQJSA-N 0 0 314.385 2.057 10 30 DEEERN C[C@@H]1CCCC[C@H]1CNc1ccc(S(N)(=O)=O)cc1C#N ZINC000742397267 638066763 /nfs/dbraw/zinc/06/67/63/638066763.db2.gz OBHNEHDSLVLNJI-NEPJUHHUSA-N 0 0 307.419 2.444 10 30 DEEERN C#C[C@@H](C)OC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000744181418 638199175 /nfs/dbraw/zinc/19/91/75/638199175.db2.gz OVRNHOYMYDYOIO-UKRRQHHQSA-N 0 0 317.360 2.172 10 30 DEEERN CCOc1ccc(CCC(=O)[C@H](C#N)C(=O)N2CCCC2)cc1 ZINC000121168883 638264558 /nfs/dbraw/zinc/26/45/58/638264558.db2.gz ZTQFDQAVWCMBOI-INIZCTEOSA-N 0 0 314.385 2.349 10 30 DEEERN COc1ccc(CNC(=O)N[C@@H]2C[C@H](OC)C2(C)C)cc1C#N ZINC000746734546 638373349 /nfs/dbraw/zinc/37/33/49/638373349.db2.gz VNBFJKTUDLPBQY-CABCVRRESA-N 0 0 317.389 2.180 10 30 DEEERN COc1ccc(CNC(=O)c2c(C)nn(C)c2Cl)cc1C#N ZINC000746939434 638388690 /nfs/dbraw/zinc/38/86/90/638388690.db2.gz YQKDKKNJWNPNMI-UHFFFAOYSA-N 0 0 318.764 2.192 10 30 DEEERN C#CCNC(=O)[C@@H](C)OC(=O)/C=C(\CC)c1ccc(OC)cc1 ZINC000747134705 638410691 /nfs/dbraw/zinc/41/06/91/638410691.db2.gz NFLCERHZOAKYMJ-MNWMYKRDSA-N 0 0 315.369 2.170 10 30 DEEERN C#CC[C@@H](OC(=O)c1cccc(OCC(=O)OC)c1)C(C)C ZINC000747192398 638416808 /nfs/dbraw/zinc/41/68/08/638416808.db2.gz CJOZEFTUQPHYHD-OAHLLOKOSA-N 0 0 304.342 2.443 10 30 DEEERN C=CC[C@@H](NC(=O)NC1CCC(C(N)=O)CC1)c1ccncc1 ZINC000747582625 638452588 /nfs/dbraw/zinc/45/25/88/638452588.db2.gz DBTHLFJMXDIPBX-YMAMQOFZSA-N 0 0 316.405 2.042 10 30 DEEERN CS(=O)(=O)c1ccc(NN=Cc2ccc(C#N)s2)cc1 ZINC000748780558 638590662 /nfs/dbraw/zinc/59/06/62/638590662.db2.gz KLHQVSVYAWYNLE-UHFFFAOYSA-N 0 0 305.384 2.469 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccc(-n3nccn3)cc2)c1 ZINC000749322836 638635132 /nfs/dbraw/zinc/63/51/32/638635132.db2.gz KGOPQEQBRRUWTN-UHFFFAOYSA-N 0 0 303.325 2.320 10 30 DEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1noc(-c2ccc(F)cc2)n1 ZINC000896835657 638710154 /nfs/dbraw/zinc/71/01/54/638710154.db2.gz RKRYYLWKWFCRQQ-ZYHUDNBSSA-N 0 0 300.293 2.298 10 30 DEEERN CC[C@@H]1CCCCN1C(=O)COC(=O)Cc1cccc(C#N)c1 ZINC000750434108 638744808 /nfs/dbraw/zinc/74/48/08/638744808.db2.gz LNFJUSBIKDRCFD-MRXNPFEDSA-N 0 0 314.385 2.435 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C#N)C(C)C)cc2C1=O ZINC000750648318 639012234 /nfs/dbraw/zinc/01/22/34/639012234.db2.gz NIQBQFBIKNBEJY-AWEZNQCLSA-N 0 0 312.325 2.174 10 30 DEEERN C=CCOc1ccc(C(=O)O[C@@H]2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC000752208553 639163796 /nfs/dbraw/zinc/16/37/96/639163796.db2.gz AZZAYYBNLMFDGJ-CABCVRRESA-N 0 0 324.398 2.374 10 30 DEEERN N#Cc1cccc(CC(=O)NC[C@]2(O)CCc3ccccc32)c1 ZINC000752554129 639196928 /nfs/dbraw/zinc/19/69/28/639196928.db2.gz GQEOKNZFEZXJIR-LJQANCHMSA-N 0 0 306.365 2.051 10 30 DEEERN C#CCCCS(=O)(=O)N1C[C@H](C)Oc2ccc(OC)cc21 ZINC000805017178 639202698 /nfs/dbraw/zinc/20/26/98/639202698.db2.gz CGGBLPNXSGVFES-LBPRGKRZSA-N 0 0 309.387 2.026 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)NCC1(CCO)CC1 ZINC000189017839 640051871 /nfs/dbraw/zinc/05/18/71/640051871.db2.gz WKIVYTAHNFCXPG-UHFFFAOYSA-N 0 0 306.337 2.122 10 30 DEEERN C=CCOCC(=O)OC[C@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC000729900664 640853217 /nfs/dbraw/zinc/85/32/17/640853217.db2.gz TZIQYACKLMMLHP-AWEZNQCLSA-N 0 0 321.373 2.186 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ncccc1O ZINC000805781991 643248706 /nfs/dbraw/zinc/24/87/06/643248706.db2.gz FTJNBXLVPYYADK-OAHLLOKOSA-N 0 0 309.369 2.221 10 30 DEEERN COC(=O)c1ccoc1C(=O)OCc1ccc(F)c(C#N)c1 ZINC000800264597 645248506 /nfs/dbraw/zinc/24/85/06/645248506.db2.gz AAUKRQUJUNPLGQ-UHFFFAOYSA-N 0 0 303.245 2.434 10 30 DEEERN C#CCNC(=O)[C@@H](C)OC(=O)c1cnccc1Oc1ccccc1 ZINC000800271814 645249331 /nfs/dbraw/zinc/24/93/31/645249331.db2.gz FFVLQDBTODQQKO-CYBMUJFWSA-N 0 0 324.336 2.169 10 30 DEEERN C=C[C@@H](N[C@H](C)c1ccc(N2CCCC2=O)cc1)C(=O)OC ZINC000800368746 645263314 /nfs/dbraw/zinc/26/33/14/645263314.db2.gz BMYSFLXPYKXMNO-IUODEOHRSA-N 0 0 302.374 2.192 10 30 DEEERN C=C[C@H](OC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)C(C)(C)C ZINC000802835285 645337901 /nfs/dbraw/zinc/33/79/01/645337901.db2.gz DJUIMFVIMKPIMS-YPMHNXCESA-N 0 0 318.435 2.113 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN2CCO[C@@H](C(F)F)C2)c1C ZINC000801567491 645418055 /nfs/dbraw/zinc/41/80/55/645418055.db2.gz LMHQDJLUCFEXMA-OAHLLOKOSA-N 0 0 312.360 2.440 10 30 DEEERN C#CCOc1cccc(NC(=O)N2CCO[C@@H](C(F)F)C2)c1 ZINC000801627006 645424849 /nfs/dbraw/zinc/42/48/49/645424849.db2.gz ALXFEMSMSJAIND-CYBMUJFWSA-N 0 0 310.300 2.196 10 30 DEEERN C=CCNC(=O)COC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000801908854 645459313 /nfs/dbraw/zinc/45/93/13/645459313.db2.gz XRMXYDLZSVSPRD-CYBMUJFWSA-N 0 0 317.385 2.474 10 30 DEEERN C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@@H](C(C)C)C2)c(F)c1 ZINC000802561445 645534601 /nfs/dbraw/zinc/53/46/01/645534601.db2.gz XUYQWXCKAYZPAL-GFCCVEGCSA-N 0 0 320.339 2.389 10 30 DEEERN C=CCCC(C)(C)OC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000802769553 645554446 /nfs/dbraw/zinc/55/44/46/645554446.db2.gz NOCOATJKCDHMME-GFCCVEGCSA-N 0 0 318.435 2.257 10 30 DEEERN C#CCN1CCN(C(=O)c2ccc(-n3cccc3)c(F)c2)CC1 ZINC000105322200 651030682 /nfs/dbraw/zinc/03/06/82/651030682.db2.gz IBIZKPGBMLHXBL-UHFFFAOYSA-N 0 0 311.360 2.007 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000803697749 645681010 /nfs/dbraw/zinc/68/10/10/645681010.db2.gz QEMLWPHOUQAOCL-SQWLQELKSA-N 0 0 303.402 2.133 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H]1CCN(c2ccccc2F)C1=O ZINC000803699538 645681511 /nfs/dbraw/zinc/68/15/11/645681511.db2.gz HDAHPKLTGUNXJN-INIZCTEOSA-N 0 0 313.328 2.137 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000803698740 645681566 /nfs/dbraw/zinc/68/15/66/645681566.db2.gz YRGXDOBNYFXZRR-QLFBSQMISA-N 0 0 303.402 2.085 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](Cc1ccccc1)C(=O)OCC ZINC000803699775 645681857 /nfs/dbraw/zinc/68/18/57/645681857.db2.gz PNPHAACYMYLOTL-KRWDZBQOSA-N 0 0 312.365 2.367 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](Cc1ccc(F)cc1)C(=O)OC ZINC000803698561 645681967 /nfs/dbraw/zinc/68/19/67/645681967.db2.gz BPPQVMUYLPFVQR-INIZCTEOSA-N 0 0 316.328 2.116 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000803701611 645682432 /nfs/dbraw/zinc/68/24/32/645682432.db2.gz ZCNVOSBGTRBGLA-NVXWUHKLSA-N 0 0 315.413 2.374 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000803700390 645682710 /nfs/dbraw/zinc/68/27/10/645682710.db2.gz NRDWOFHVSCSXSJ-SQWLQELKSA-N 0 0 303.402 2.276 10 30 DEEERN CC(=O)c1ccccc1OCCOC(=O)c1cc(C#N)ccn1 ZINC000803848494 645704225 /nfs/dbraw/zinc/70/42/25/645704225.db2.gz RIFNGOSLNUCJOO-UHFFFAOYSA-N 0 0 310.309 2.392 10 30 DEEERN COC[C@@H](C)C(=O)OCCOc1c(C#N)cnc2ccccc21 ZINC000103701648 645882089 /nfs/dbraw/zinc/88/20/89/645882089.db2.gz WWVFEWTWBWXHNH-GFCCVEGCSA-N 0 0 314.341 2.311 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000807322140 645938974 /nfs/dbraw/zinc/93/89/74/645938974.db2.gz GVRZMJPMAJCUOE-HIFRSBDPSA-N 0 0 315.335 2.249 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(Br)nc1OC ZINC000807376760 645943901 /nfs/dbraw/zinc/94/39/01/645943901.db2.gz JIMJRIBYKIXGIP-UHFFFAOYSA-N 0 0 321.174 2.454 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@@H](O)C1CC1 ZINC000807464975 645953395 /nfs/dbraw/zinc/95/33/95/645953395.db2.gz CPBXAYFQYQKXNM-IAGOWNOFSA-N 0 0 300.402 2.033 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@]1(C)CCO[C@@H]1C ZINC000807466238 645953408 /nfs/dbraw/zinc/95/34/08/645953408.db2.gz QGDAYTIBEPGAGL-KYJSFNMBSA-N 0 0 300.402 2.488 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000807467866 645954123 /nfs/dbraw/zinc/95/41/23/645954123.db2.gz IUFBXANDPOTMNV-KURKYZTESA-N 0 0 314.429 2.471 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@]1(C)CCCOC1 ZINC000807467545 645954629 /nfs/dbraw/zinc/95/46/29/645954629.db2.gz SVTAWPRYDGKDGJ-SJLPKXTDSA-N 0 0 300.402 2.489 10 30 DEEERN C=CCS(=O)(=O)N1CCC[C@@H](c2nc3ccccc3n2C)C1 ZINC000222381724 646445444 /nfs/dbraw/zinc/44/54/44/646445444.db2.gz NAAUTNABQXWHHM-CYBMUJFWSA-N 0 0 319.430 2.269 10 30 DEEERN CC(C)(C)c1cc(C(=O)N2CCO[C@@H](C#N)C2)cc(Cl)n1 ZINC000228130302 646616249 /nfs/dbraw/zinc/61/62/49/646616249.db2.gz SARYBDJSKRIXBU-NSHDSACASA-N 0 0 307.781 2.397 10 30 DEEERN C=C(CSc1nnnn1-c1ccc(C)c(C)c1)C(=O)OCC ZINC000172293863 646728975 /nfs/dbraw/zinc/72/89/75/646728975.db2.gz UCSVURROKHCJPI-UHFFFAOYSA-N 0 0 318.402 2.491 10 30 DEEERN C#C[C@@H](C)OC(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000174434832 646811245 /nfs/dbraw/zinc/81/12/45/646811245.db2.gz SHZUWIINRVOCAI-YGRLFVJLSA-N 0 0 309.312 2.284 10 30 DEEERN C#C[C@H](OC(=O)CSCC(=O)N(C)C1CCCCC1)C1CC1 ZINC000152429907 647162427 /nfs/dbraw/zinc/16/24/27/647162427.db2.gz VMAMVCLXYNYAMY-HNNXBMFYSA-N 0 0 323.458 2.466 10 30 DEEERN C#CCN(C1CCCC1)S(=O)(=O)C1Cc2ccccc2C1 ZINC000153105123 647355527 /nfs/dbraw/zinc/35/55/27/647355527.db2.gz AROYHHKGJJOJCQ-UHFFFAOYSA-N 0 0 303.427 2.361 10 30 DEEERN N#Cc1ccsc1C(=O)NCC[S@](=O)Cc1ccccc1 ZINC000732100009 647540630 /nfs/dbraw/zinc/54/06/30/647540630.db2.gz LKSCXIQXRRUOJH-NRFANRHFSA-N 0 0 318.423 2.298 10 30 DEEERN C[C@@H](Cc1ccccc1)C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000732584085 647627271 /nfs/dbraw/zinc/62/72/71/647627271.db2.gz PJIXXWFRFQOBCX-UGSOOPFHSA-N 0 0 314.385 2.217 10 30 DEEERN C=CCOCC(=O)OC1CCN(C(=O)c2ccccc2F)CC1 ZINC000732602511 647629672 /nfs/dbraw/zinc/62/96/72/647629672.db2.gz QJVQSXIPPUHJQH-UHFFFAOYSA-N 0 0 321.348 2.176 10 30 DEEERN C[C@@H](NC(=S)N1CCN(C2CC2)[C@H](C#N)C1)c1cccs1 ZINC000732625632 647633071 /nfs/dbraw/zinc/63/30/71/647633071.db2.gz LISOCJRTYHLOEZ-DGCLKSJQSA-N 0 0 320.487 2.356 10 30 DEEERN C/C(=C/C(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1cccc(F)c1 ZINC000732648446 647635830 /nfs/dbraw/zinc/63/58/30/647635830.db2.gz UTMLLUZWMAPRGN-HOFZKYPUSA-N 0 0 313.376 2.428 10 30 DEEERN C#CCC(C)(C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000185072725 649428825 /nfs/dbraw/zinc/42/88/25/649428825.db2.gz OIRUJYYWWFHROI-GFCCVEGCSA-N 0 0 307.415 2.317 10 30 DEEERN C#CCOc1ccc(NC(=O)N2CCN(CC(F)F)CC2)cc1 ZINC000108520814 651660705 /nfs/dbraw/zinc/66/07/05/651660705.db2.gz CDSPJPGHVQVNPR-UHFFFAOYSA-N 0 0 323.343 2.113 10 30 DEEERN C=CCN(Cc1ccccc1)Cn1nc(CO)n(C)c1=S ZINC000305122157 685276276 /nfs/dbraw/zinc/27/62/76/685276276.db2.gz NCBGSWIRKKNRSF-UHFFFAOYSA-N 0 0 304.419 2.089 10 30 DEEERN N#CCCOCCOC(=O)c1cc(N)ccc1Br ZINC000385837822 685414910 /nfs/dbraw/zinc/41/49/10/685414910.db2.gz MWHPNTTYSLOYIT-UHFFFAOYSA-N 0 0 313.151 2.118 10 30 DEEERN C#CCN1CCN(C(=O)c2cc(Cl)nc(C(C)(C)C)c2)CC1 ZINC000387562387 685423206 /nfs/dbraw/zinc/42/32/06/685423206.db2.gz KUOPENLHMQGBQR-UHFFFAOYSA-N 0 0 319.836 2.424 10 30 DEEERN C[C@H](OC[C@@H]1CCCO1)C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000079212295 683971425 /nfs/dbraw/zinc/97/14/25/683971425.db2.gz BRJBMHJCKGGLHQ-UAGQMJEPSA-N 0 0 317.385 2.496 10 30 DEEERN CC(C)C(=O)N1CCC[C@@H]1C(=O)OCc1ccc(C#N)cc1 ZINC000079393194 683972337 /nfs/dbraw/zinc/97/23/37/683972337.db2.gz HTEZZCKSKPDQTD-OAHLLOKOSA-N 0 0 300.358 2.248 10 30 DEEERN Cc1ccc(N2C[C@H](C(=O)O[C@H](C#N)C(C)C)CC2=O)cc1 ZINC000080386167 683981781 /nfs/dbraw/zinc/98/17/81/683981781.db2.gz ATUPTWIIIBGUHL-UKRRQHHQSA-N 0 0 300.358 2.439 10 30 DEEERN COc1cccc(COC(=O)c2cc(C#N)cn2C)c1OC ZINC000080939485 683986302 /nfs/dbraw/zinc/98/63/02/683986302.db2.gz QGTWOVRKGJHQAI-UHFFFAOYSA-N 0 0 300.314 2.271 10 30 DEEERN CC[C@H](C#N)OC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000084708332 684005494 /nfs/dbraw/zinc/00/54/94/684005494.db2.gz PXSKJLRXRNJOLC-URWSZGRFSA-N 0 0 314.345 2.164 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)OCCNc1ncccc1C#N ZINC000129727238 684181901 /nfs/dbraw/zinc/18/19/01/684181901.db2.gz IKQLBWZQWUNHBF-UHFFFAOYSA-N 0 0 306.325 2.402 10 30 DEEERN C#CCCCCNC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000155954281 684282365 /nfs/dbraw/zinc/28/23/65/684282365.db2.gz OHCLOXHYTIBZFF-QGZVFWFLSA-N 0 0 316.401 2.182 10 30 DEEERN C=CCC[C@@H](OC(=O)CN1C(=O)NC(CC)(CC)C1=O)C1CC1 ZINC000159477746 684316158 /nfs/dbraw/zinc/31/61/58/684316158.db2.gz RKRFCQGEVRBCSG-CYBMUJFWSA-N 0 0 322.405 2.385 10 30 DEEERN C#CC[C@@H](OC(=O)/C=C/c1cncc(C(=O)NC)c1)C(C)(C)C ZINC000159781815 684321482 /nfs/dbraw/zinc/32/14/82/684321482.db2.gz QTQJDLSPNOVCTC-XVJNWHFHSA-N 0 0 314.385 2.436 10 30 DEEERN CC#CCNC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000187317962 684335933 /nfs/dbraw/zinc/33/59/33/684335933.db2.gz HJQOSVOXBSUVAV-STQMWFEESA-N 0 0 309.410 2.097 10 30 DEEERN C=C[C@@](C)(CCOC)COC(=O)c1cc(OC(F)F)n(C)n1 ZINC000187501319 684339335 /nfs/dbraw/zinc/33/93/35/684339335.db2.gz PMGRGNLUMGUDSU-AWEZNQCLSA-N 0 0 318.320 2.407 10 30 DEEERN C#CCOc1ccccc1NC(=O)NCc1cccc(OC)n1 ZINC000188050421 684348003 /nfs/dbraw/zinc/34/80/03/684348003.db2.gz NKGNFFSJAQINRL-UHFFFAOYSA-N 0 0 311.341 2.424 10 30 DEEERN C=CC[C@H](OC(=O)CCN1CCCS1(=O)=O)c1ccccc1 ZINC000189243966 684376929 /nfs/dbraw/zinc/37/69/29/684376929.db2.gz YWYAPXFHILBSQP-HNNXBMFYSA-N 0 0 323.414 2.273 10 30 DEEERN COCCCOCCOC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000191592107 684432967 /nfs/dbraw/zinc/43/29/67/684432967.db2.gz FNJWAJXGOOZHIQ-UHFFFAOYSA-N 0 0 303.358 2.452 10 30 DEEERN N#CCc1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000192148376 684442315 /nfs/dbraw/zinc/44/23/15/684442315.db2.gz YQVCFCWDIYDBPF-UHFFFAOYSA-N 0 0 324.339 2.490 10 30 DEEERN COc1ccc(O)c(/C=N/[C@H]2CCCN(c3ncccn3)C2)c1 ZINC000193337346 685038089 /nfs/dbraw/zinc/03/80/89/685038089.db2.gz IRDOBJAYAVHCMV-HXJASHHUSA-N 0 0 312.373 2.279 10 30 DEEERN C=C(C)COC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O ZINC000194168407 685058824 /nfs/dbraw/zinc/05/88/24/685058824.db2.gz MTHMBHNUJLKGLQ-CQSZACIVSA-N 0 0 301.342 2.427 10 30 DEEERN C=C(C)CCOC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000246627028 685133748 /nfs/dbraw/zinc/13/37/48/685133748.db2.gz UHGACZUKCVZJLV-OBJOEFQTSA-N 0 0 312.435 2.222 10 30 DEEERN CC(=O)N1C[C@@H](Nc2ccc(C#N)nc2)CC[C@H]1C(F)(F)F ZINC000886065995 691996338 /nfs/dbraw/zinc/99/63/38/691996338.db2.gz DRKRJRXSQUVMAY-STQMWFEESA-N 0 0 312.295 2.307 10 30 DEEERN N#Cc1nc(N2CCC[C@H]2c2ccc(N)nn2)ccc1Cl ZINC000886085506 692000081 /nfs/dbraw/zinc/00/00/81/692000081.db2.gz IPLQSTCLAPHZCP-LBPRGKRZSA-N 0 0 300.753 2.320 10 30 DEEERN C=C[C@H](C)OC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000588539797 777374349 /nfs/dbraw/zinc/37/43/49/777374349.db2.gz CWQPWBTUTMNKGC-ZADCQDASSA-N 0 0 301.346 2.436 10 30 DEEERN CCOc1ncccc1C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746923148 786545203 /nfs/dbraw/zinc/54/52/03/786545203.db2.gz ZFJPFZFAUGLMEI-UHFFFAOYSA-N 0 0 311.341 2.291 10 30 DEEERN N#Cc1cc(S(=O)(=O)NCC[C@@H]2CCCS2)ccc1F ZINC000715970993 792529581 /nfs/dbraw/zinc/52/95/81/792529581.db2.gz XZXHFFOYVPJPDQ-NSHDSACASA-N 0 0 314.407 2.261 10 30 DEEERN N#Cc1ccc(CS(=O)(=O)NCC[C@H]2CCCS2)cc1 ZINC000715967420 792540758 /nfs/dbraw/zinc/54/07/58/792540758.db2.gz MTQPEIAPEQGDLR-CQSZACIVSA-N 0 0 310.444 2.263 10 30 DEEERN C#CC[C@H](COC)NC(=O)Cc1cccc(Br)c1 ZINC000716844042 793009997 /nfs/dbraw/zinc/00/99/97/793009997.db2.gz FASIDGCFMJYDGY-CYBMUJFWSA-N 0 0 310.191 2.146 10 30 DEEERN C#CC[C@H](COC)NC(=O)c1ccc(Br)cc1F ZINC000716850229 793010345 /nfs/dbraw/zinc/01/03/45/793010345.db2.gz XRYNPKVCNQORNU-SNVBAGLBSA-N 0 0 314.154 2.356 10 30 DEEERN CC[C@@H](C[C@H](C)O)NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000716955091 797952939 /nfs/dbraw/zinc/95/29/39/797952939.db2.gz SNTCPBYYHBWRFF-ONGXEEELSA-N 0 0 316.810 2.039 10 30 DEEERN C=CCONC(=O)c1cccc(F)c1I ZINC000721665828 1084031814 /nfs/dbraw/zinc/03/18/14/1084031814.db2.gz GJETYRXQJQFPGW-UHFFFAOYSA-N 0 0 321.089 2.278 10 30 DEEERN CCc1nc(C#N)cc(NCc2cn(C)nc2Br)n1 ZINC000720678252 1085849406 /nfs/dbraw/zinc/84/94/06/1085849406.db2.gz RQXDYACKVOYXBQ-UHFFFAOYSA-N 0 0 321.182 2.019 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000703630834 1086527645 /nfs/dbraw/zinc/52/76/45/1086527645.db2.gz MEKBOTGRESSXDR-SECBINFHSA-N 0 0 304.774 2.461 10 30 DEEERN N#Cc1c(F)cccc1S(=O)(=O)NCC[C@H]1CCSC1 ZINC000704866854 1086594774 /nfs/dbraw/zinc/59/47/74/1086594774.db2.gz GRROOIHKECNDFR-JTQLQIEISA-N 0 0 314.407 2.119 10 30 DEEERN C#CC1(O)CCN(C(=O)c2c(C)cccc2Br)CC1 ZINC000708136547 1086677251 /nfs/dbraw/zinc/67/72/51/1086677251.db2.gz HQUUJFYIAUOKLL-UHFFFAOYSA-N 0 0 322.202 2.358 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)N[C@H]2CCC(F)(F)C2)c1 ZINC000720021209 1089425667 /nfs/dbraw/zinc/42/56/67/1089425667.db2.gz LXIIDAZIAXALPH-JTQLQIEISA-N 0 0 304.293 2.163 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)NCCCC(F)(F)F)c1 ZINC000720023593 1089426381 /nfs/dbraw/zinc/42/63/81/1089426381.db2.gz YMRLKRZCAIAWSB-UHFFFAOYSA-N 0 0 310.272 2.318 10 30 DEEERN Cc1cc2ccc(N)cc2n(C(=O)c2cccc(C#N)c2)c1=O ZINC000074587942 185000142 /nfs/dbraw/zinc/00/01/42/185000142.db2.gz JEWOUAKUJRCRGI-UHFFFAOYSA-N 0 0 303.321 2.452 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1([C@@H](C)CCO)CCC1 ZINC000425491909 334926965 /nfs/dbraw/zinc/92/69/65/334926965.db2.gz RQJSYIBRKLSWHY-KKUMJFAQSA-N 0 0 310.438 2.066 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2ccc3oc(=O)n(C)c3c2)C1 ZINC000624843333 365568334 /nfs/dbraw/zinc/56/83/34/365568334.db2.gz NDNFBFBQZBKVOA-GFCCVEGCSA-N 0 0 315.373 2.239 10 30 DEEERN C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1C[C@@H]2COC[C@]2(C)C1 ZINC000624842901 365568553 /nfs/dbraw/zinc/56/85/53/365568553.db2.gz FADJMXRAQUGOMY-WBOJAVRRSA-N 0 0 318.421 2.177 10 30 DEEERN C=CCn1c(CC(F)(F)F)nnc1N1CC[C@@H](CO)C[C@H]1C ZINC000624841012 365567205 /nfs/dbraw/zinc/56/72/05/365567205.db2.gz SPAWMFKRRXFDQW-GHMZBOCLSA-N 0 0 318.343 2.166 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(Cc2cccc(C)c2)C1 ZINC000612120325 361751570 /nfs/dbraw/zinc/75/15/70/361751570.db2.gz OVFKOLFJAASSAO-SFHVURJKSA-N 0 0 314.429 2.467 10 30 DEEERN C=CCN(C(C)(C)C)S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000162289648 197557034 /nfs/dbraw/zinc/55/70/34/197557034.db2.gz YBNMVUJJRDWRRJ-UHFFFAOYSA-N 0 0 313.379 2.152 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCc2c1cccc2OC ZINC000612374306 361807775 /nfs/dbraw/zinc/80/77/75/361807775.db2.gz LXRBQJZRMCNTEK-HOTGVXAUSA-N 0 0 316.401 2.270 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCc1ccoc1 ZINC000612403424 361816761 /nfs/dbraw/zinc/81/67/61/361816761.db2.gz JAIVYDTXODGXKY-CABCVRRESA-N 0 0 304.390 2.189 10 30 DEEERN C=CCN(C(C)(C)C)S(=O)(=O)c1ccc(CO)cc1F ZINC000162544623 197573713 /nfs/dbraw/zinc/57/37/13/197573713.db2.gz PPTXPWKBGJMPFY-UHFFFAOYSA-N 0 0 301.383 2.293 10 30 DEEERN C=C(C)Cn1c(CC2CC2)nnc1N1CCO[C@H](CCF)C1 ZINC000624980720 365606188 /nfs/dbraw/zinc/60/61/88/365606188.db2.gz XUOIXFJEOONDJD-CQSZACIVSA-N 0 0 308.401 2.372 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000612506253 361845866 /nfs/dbraw/zinc/84/58/66/361845866.db2.gz ITSHRQLABIIQEA-UONOGXRCSA-N 0 0 322.449 2.263 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000612701381 361896796 /nfs/dbraw/zinc/89/67/96/361896796.db2.gz XEVCUILSIGILDF-VSZNYVQBSA-N 0 0 312.413 2.302 10 30 DEEERN CC[C@H](NC(=O)NCC1CCC(C#N)CC1)[C@@H](O)C(F)(F)F ZINC000442741213 529501368 /nfs/dbraw/zinc/50/13/68/529501368.db2.gz UTYWDNSZSVQNQP-MMVSWEMESA-N 0 0 321.343 2.317 10 30 DEEERN CC[C@H](C#N)NC(=O)[C@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000245644458 529585330 /nfs/dbraw/zinc/58/53/30/529585330.db2.gz LERWQXZAQCFOLX-NWANDNLSSA-N 0 0 301.390 2.249 10 30 DEEERN C=CCC[C@H](CO)NS(=O)(=O)CC(C)(C)C(F)(F)CC ZINC000625239041 365694013 /nfs/dbraw/zinc/69/40/13/365694013.db2.gz NLBRFACDEKZBAF-LLVKDONJSA-N 0 0 313.410 2.304 10 30 DEEERN C=C(CC)CNS(=O)(=O)C[C@@H](Cc1ccc(F)cc1)OC ZINC000625246931 365695817 /nfs/dbraw/zinc/69/58/17/365695817.db2.gz NTKCHGOVUYPBAU-OAHLLOKOSA-N 0 0 315.410 2.269 10 30 DEEERN CC(C)c1nnc2n1C[C@H](NC(=O)Nc1cccc(C#N)c1)CC2 ZINC000181362087 199285205 /nfs/dbraw/zinc/28/52/05/199285205.db2.gz KAAFJBYSAATNQW-CQSZACIVSA-N 0 0 324.388 2.410 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1ccc(Br)cc1F ZINC000613486674 362126448 /nfs/dbraw/zinc/12/64/48/362126448.db2.gz DSZPSGYFUDBNEC-LLVKDONJSA-N 0 0 316.170 2.184 10 30 DEEERN C#CCNCc1nc(-c2cc(Cl)c(OC)c(OC)c2)no1 ZINC000092481354 185321419 /nfs/dbraw/zinc/32/14/19/185321419.db2.gz PRYRUXBOCSVGCY-UHFFFAOYSA-N 0 0 307.737 2.130 10 30 DEEERN CCC(CC)[C@H](C(=O)N1CCC(C)(C#N)CC1)N1CCOCC1 ZINC000356993594 282248771 /nfs/dbraw/zinc/24/87/71/282248771.db2.gz WINOSZWJCNCRPK-MRXNPFEDSA-N 0 0 321.465 2.276 10 30 DEEERN C#CCCCCNC(=O)c1cnn2cc(Br)cnc12 ZINC000092600078 185328294 /nfs/dbraw/zinc/32/82/94/185328294.db2.gz RSNDWOXBFBKLNQ-UHFFFAOYSA-N 0 0 321.178 2.025 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000613861063 362234586 /nfs/dbraw/zinc/23/45/86/362234586.db2.gz JOINQYZPXSVOGW-MRXNPFEDSA-N 0 0 318.417 2.139 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000625382137 365756631 /nfs/dbraw/zinc/75/66/31/365756631.db2.gz XMZZYTFOPXQWEM-OAHLLOKOSA-N 0 0 315.417 2.464 10 30 DEEERN CC[C@H]1C(=O)NCCN1c1cccc(Br)c1C#N ZINC000168541260 197725245 /nfs/dbraw/zinc/72/52/45/197725245.db2.gz QOGMNBNGDLMECT-NSHDSACASA-N 0 0 308.179 2.036 10 30 DEEERN CCc1nc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)sc1C ZINC000434832588 529742243 /nfs/dbraw/zinc/74/22/43/529742243.db2.gz FVQCAKSCLOUQMB-UHFFFAOYSA-N 0 0 320.418 2.105 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@@H](C)c1cccnc1 ZINC000625446219 365788797 /nfs/dbraw/zinc/78/87/97/365788797.db2.gz OCITUCRQDYXTGG-ZDUSSCGKSA-N 0 0 303.406 2.320 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCCc1ccccc1F ZINC000614288880 362339448 /nfs/dbraw/zinc/33/94/48/362339448.db2.gz UYBPDCJBKRRMLW-INIZCTEOSA-N 0 0 306.381 2.345 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1c(C(F)(F)F)cnn1C ZINC000614372513 362364677 /nfs/dbraw/zinc/36/46/77/362364677.db2.gz JQEGMWYNUMQNKI-SKDRFNHKSA-N 0 0 317.311 2.150 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)c1c(F)cncc1F ZINC000614797724 362463974 /nfs/dbraw/zinc/46/39/74/362463974.db2.gz OXOUYRSZQYKFMT-ZANVPECISA-N 0 0 311.332 2.008 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000615850381 362716495 /nfs/dbraw/zinc/71/64/95/362716495.db2.gz XNZNODPODGHXBS-HIFRSBDPSA-N 0 0 314.385 2.014 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)CCCc1cccnc1 ZINC000616210346 362796605 /nfs/dbraw/zinc/79/66/05/362796605.db2.gz PCTLIGOLGNSWOF-PBHICJAKSA-N 0 0 317.433 2.380 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cnccc1C(C)(C)C ZINC000616269655 362812199 /nfs/dbraw/zinc/81/21/99/362812199.db2.gz YZMZVIDLGPLVLR-INIZCTEOSA-N 0 0 317.433 2.466 10 30 DEEERN CC(C)(C#N)N1CCN(C(=O)c2ccc(Cl)cc2O)CC1 ZINC000070139971 190862659 /nfs/dbraw/zinc/86/26/59/190862659.db2.gz MANSGHQBRYPEDF-UHFFFAOYSA-N 0 0 307.781 2.106 10 30 DEEERN N#Cc1ccccc1[C@@H]1CCc2ccccc2N1S(N)(=O)=O ZINC000616594690 362895449 /nfs/dbraw/zinc/89/54/49/362895449.db2.gz JSFALNLZBMSSLV-INIZCTEOSA-N 0 0 313.382 2.256 10 30 DEEERN C=CCCC[C@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)CCC ZINC000182617937 539657183 /nfs/dbraw/zinc/65/71/83/539657183.db2.gz JZRHJQJXIUKXFY-UONOGXRCSA-N 0 0 316.467 2.052 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](C)c1nccs1 ZINC000071029278 190930017 /nfs/dbraw/zinc/93/00/17/190930017.db2.gz XRLZPMRZEZAOTC-SNVBAGLBSA-N 0 0 307.400 2.363 10 30 DEEERN CCOC(=O)CN1C(=O)c2ccc(C(F)(F)F)cc2C1C#N ZINC000071680954 191007080 /nfs/dbraw/zinc/00/70/80/191007080.db2.gz FJXDCQWQZCIERH-LLVKDONJSA-N 0 0 312.247 2.289 10 30 DEEERN C[C@@H]1SCCN(C(=O)c2ccc(C#CCO)cc2F)[C@H]1C ZINC000133657314 186003877 /nfs/dbraw/zinc/00/38/77/186003877.db2.gz CAXMRNWPCSJZLL-RYUDHWBXSA-N 0 0 307.390 2.136 10 30 DEEERN N#Cc1ncccc1CS(=O)(=O)c1ccc(Cl)cc1N ZINC000149999703 186053991 /nfs/dbraw/zinc/05/39/91/186053991.db2.gz NXCQDJCFHPRQFF-UHFFFAOYSA-N 0 0 307.762 2.163 10 30 DEEERN [NH3+]CC#Cc1ccsc1CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000148648060 186045763 /nfs/dbraw/zinc/04/57/63/186045763.db2.gz JDDZWPPOUFMDKH-UHFFFAOYSA-N 0 0 320.801 2.347 10 30 DEEERN CCCNc1cc(N(CCC#N)CCOC)nc(SC)n1 ZINC000150219221 186055636 /nfs/dbraw/zinc/05/56/36/186055636.db2.gz JUEFXFMICXQXPZ-UHFFFAOYSA-N 0 0 309.439 2.387 10 30 DEEERN N#Cc1ccc(C(F)(F)F)nc1NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000272438915 209840651 /nfs/dbraw/zinc/84/06/51/209840651.db2.gz IAHXRQXCRSPZNN-SECBINFHSA-N 0 0 324.306 2.395 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)c1c(C)nn(C)c1C ZINC000617038585 363006866 /nfs/dbraw/zinc/00/68/66/363006866.db2.gz ZCZTXKIKPAGYCJ-KBPBESRZSA-N 0 0 303.406 2.471 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CCc1nc(N(C)C)no1 ZINC000617041581 363008153 /nfs/dbraw/zinc/00/81/53/363008153.db2.gz GDQNLSMMWGPIAA-QWHCGFSZSA-N 0 0 306.410 2.319 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](c1nc(C)cs1)C(F)(F)F ZINC000296795064 186700796 /nfs/dbraw/zinc/70/07/96/186700796.db2.gz CJSGLNFDUQTFHV-DTWKUNHWSA-N 0 0 323.340 2.291 10 30 DEEERN C=CCC1(C(=O)NCCC2(CS(C)(=O)=O)CC2)CCCC1 ZINC000617186847 363049263 /nfs/dbraw/zinc/04/92/63/363049263.db2.gz MKXWFTGKPILIPA-UHFFFAOYSA-N 0 0 313.463 2.454 10 30 DEEERN C=C[C@H](CC(=O)N1CC[C@H](Cn2ccnn2)C1)c1ccccc1 ZINC000617258460 363067613 /nfs/dbraw/zinc/06/76/13/363067613.db2.gz JAVJRSYHJITMDJ-JKSUJKDBSA-N 0 0 310.401 2.487 10 30 DEEERN N#C[C@H]1CN(C(=O)Cc2ccccc2)CCN1Cc1ccccc1 ZINC000172154051 198048261 /nfs/dbraw/zinc/04/82/61/198048261.db2.gz VHJQHLNZDBWRMC-IBGZPJMESA-N 0 0 319.408 2.466 10 30 DEEERN C=CCN(C(=O)c1cnn(CC(F)(F)F)c1)[C@H](C)COC ZINC000617582652 363196014 /nfs/dbraw/zinc/19/60/14/363196014.db2.gz RIDZDQQLRLDONX-SNVBAGLBSA-N 0 0 305.300 2.109 10 30 DEEERN C=CCN(C(=O)c1cnn(CCC(F)(F)F)c1)[C@@H](C)COC ZINC000617581345 363196082 /nfs/dbraw/zinc/19/60/82/363196082.db2.gz QCWDDOKQYYHFQT-NSHDSACASA-N 0 0 319.327 2.499 10 30 DEEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H]2CCCNC2=O)cn1 ZINC000330360956 539938382 /nfs/dbraw/zinc/93/83/82/539938382.db2.gz XSRUDWAIYFDSPC-RWMBFGLXSA-N 0 0 306.366 2.056 10 30 DEEERN C/N=C1/S[C@@H](C(=O)Nc2ccc(Cl)cc2)CC(=O)N1C ZINC000002727891 180949464 /nfs/dbraw/zinc/94/94/64/180949464.db2.gz DMBYKGFEYWYECR-NIZNLAEJSA-N 0 0 311.794 2.228 10 30 DEEERN Cc1ccccc1C(=O)NCC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000045250400 354252669 /nfs/dbraw/zinc/25/26/69/354252669.db2.gz RNWNVMOIQXHRRA-UHFFFAOYSA-N 0 0 321.380 2.255 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C)ccn3)cc2C1=O ZINC000047220238 354310347 /nfs/dbraw/zinc/31/03/47/354310347.db2.gz SYRHPFIELOTJBD-UHFFFAOYSA-N 0 0 321.336 2.424 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2cccnc2N2CCOCC2)C1 ZINC000626318203 366146920 /nfs/dbraw/zinc/14/69/20/366146920.db2.gz GYUJUKDYZLMDCM-AWEZNQCLSA-N 0 0 316.405 2.348 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccnn1C ZINC000056873439 354546852 /nfs/dbraw/zinc/54/68/52/354546852.db2.gz RQZUQMLZNKXVJI-UHFFFAOYSA-N 0 0 314.389 2.327 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1csc(NC(C)=O)n1 ZINC000063851638 354658945 /nfs/dbraw/zinc/65/89/45/354658945.db2.gz JDAZLRUMYBNUHG-UHFFFAOYSA-N 0 0 307.297 2.292 10 30 DEEERN CCOC(=O)/C(=C/N(C)C)C(=O)c1ccc(F)c(OC)c1F ZINC000059570916 354605214 /nfs/dbraw/zinc/60/52/14/354605214.db2.gz FGVPLQCIMOOMGJ-CSKARUKUSA-N 0 0 313.300 2.165 10 30 DEEERN C=CCC1(NC(=O)c2cccc3oc(=O)[nH]c32)CCOCC1 ZINC000618250828 363430981 /nfs/dbraw/zinc/43/09/81/363430981.db2.gz QJQRAAKONZAUOQ-UHFFFAOYSA-N 0 0 302.330 2.389 10 30 DEEERN N#Cc1cccc(CC(=O)N[C@H]2CCc3cc(O)ccc3C2)c1 ZINC000618250252 363431327 /nfs/dbraw/zinc/43/13/27/363431327.db2.gz TVPCRFVBEMFKFE-KRWDZBQOSA-N 0 0 306.365 2.480 10 30 DEEERN C=CCNC(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1 ZINC000086989526 355503751 /nfs/dbraw/zinc/50/37/51/355503751.db2.gz FOWDQCWHBMPQDW-CQSZACIVSA-N 0 0 304.390 2.396 10 30 DEEERN N#Cc1cc(N2CC[C@@H](N3CCOCC3)C2)nc2ccccc12 ZINC000109706288 283105584 /nfs/dbraw/zinc/10/55/84/283105584.db2.gz BLPCMSRYKQMDMF-OAHLLOKOSA-N 0 0 308.385 2.017 10 30 DEEERN COc1cccc(CNC(=O)N(C)Cc2ccc(C#N)cc2)n1 ZINC000129293683 355833908 /nfs/dbraw/zinc/83/39/08/355833908.db2.gz RUSPOWIFJXFZIO-UHFFFAOYSA-N 0 0 310.357 2.303 10 30 DEEERN Cc1ccc(S(=O)(=O)OC[C@@H](CO)c2ccccc2)cc1 ZINC000143989698 355901053 /nfs/dbraw/zinc/90/10/53/355901053.db2.gz IYVCZZXOUQPWMM-OAHLLOKOSA-N 0 0 306.383 2.476 10 30 DEEERN Cc1ccc(S(=O)(=O)OC[C@H](CO)c2ccccc2)cc1 ZINC000143989910 355901480 /nfs/dbraw/zinc/90/14/80/355901480.db2.gz IYVCZZXOUQPWMM-HNNXBMFYSA-N 0 0 306.383 2.476 10 30 DEEERN N#CC1(c2ccc(C(=O)N[C@H]3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000181535047 356084942 /nfs/dbraw/zinc/08/49/42/356084942.db2.gz CMKHFWGHKRRQQL-ZFWWWQNUSA-N 0 0 311.385 2.016 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1ccc(Br)s1 ZINC000185780266 356211833 /nfs/dbraw/zinc/21/18/33/356211833.db2.gz ZOUMQDPZVFOKEE-QMMMGPOBSA-N 0 0 304.209 2.106 10 30 DEEERN C[C@@H](NS(=O)(=O)Cc1ccccc1C#N)c1nccs1 ZINC000080276847 192020408 /nfs/dbraw/zinc/02/04/08/192020408.db2.gz OEFOGISRNGPFLN-SNVBAGLBSA-N 0 0 307.400 2.195 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000184033912 356184161 /nfs/dbraw/zinc/18/41/61/356184161.db2.gz LDXNYOOPZHVDLQ-SNVBAGLBSA-N 0 0 319.283 2.081 10 30 DEEERN Cc1nnc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)n1C1CC1 ZINC000184190799 356187547 /nfs/dbraw/zinc/18/75/47/356187547.db2.gz HHFNDMZONXSOKY-UHFFFAOYSA-N 0 0 321.384 2.407 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(NC(C)=O)ccc1Cl ZINC000184492418 356191841 /nfs/dbraw/zinc/19/18/41/356191841.db2.gz PJLJRQAOLQHRFP-NSHDSACASA-N 0 0 311.769 2.357 10 30 DEEERN C#CC[C@H](NN)c1cc(Cl)ccc1I ZINC000236284272 356289491 /nfs/dbraw/zinc/28/94/91/356289491.db2.gz MQDLHYMARXPTRS-JTQLQIEISA-N 0 0 320.561 2.472 10 30 DEEERN COc1ccc(OC)c(CC#N)c1I ZINC000307183425 356407884 /nfs/dbraw/zinc/40/78/84/356407884.db2.gz YANIPBKENKJPIN-UHFFFAOYSA-N 0 0 303.099 2.374 10 30 DEEERN COC(=O)c1c(C)c(C#N)ccc1I ZINC000307433917 356408716 /nfs/dbraw/zinc/40/87/16/356408716.db2.gz OPQPETXOSIRKAQ-UHFFFAOYSA-N 0 0 301.083 2.258 10 30 DEEERN Cc1cnc(CCNC(=O)c2c[nH]nc2[C@H]2CCOC2)s1 ZINC000328634828 356464965 /nfs/dbraw/zinc/46/49/65/356464965.db2.gz UGZGPIQXCBTYHU-JTQLQIEISA-N 0 0 306.391 2.226 10 30 DEEERN Cc1c(C[S@](C)=O)cccc1NC(=O)c1cc(C#N)cn1C ZINC000081540216 192286628 /nfs/dbraw/zinc/28/66/28/192286628.db2.gz UNELSVMYGIVSBZ-JOCHJYFZSA-N 0 0 315.398 2.336 10 30 DEEERN C=CCNC(=O)Cc1noc(C(F)(F)c2ccccc2F)n1 ZINC000350727799 356563311 /nfs/dbraw/zinc/56/33/11/356563311.db2.gz ZMVQUTKPUUJUGJ-UHFFFAOYSA-N 0 0 311.263 2.194 10 30 DEEERN C=CCOCCCNC(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000618515368 363512792 /nfs/dbraw/zinc/51/27/92/363512792.db2.gz AXEBUMALZYOUKG-VXGBXAGGSA-N 0 0 309.328 2.443 10 30 DEEERN C=CCOCCCNC(=O)[C@H](NC(=O)c1cccs1)C(C)C ZINC000618518164 363513599 /nfs/dbraw/zinc/51/35/99/363513599.db2.gz ZZFLVBKOJLYMEN-CQSZACIVSA-N 0 0 324.446 2.211 10 30 DEEERN C=CCOCCCNC(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000618521005 363514476 /nfs/dbraw/zinc/51/44/76/363514476.db2.gz NLILSFGUAFSCRS-UHFFFAOYSA-N 0 0 302.374 2.284 10 30 DEEERN C=CCOCCCNC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000618525569 363516220 /nfs/dbraw/zinc/51/62/20/363516220.db2.gz JQIPDNIQQILWES-UHFFFAOYSA-N 0 0 302.374 2.239 10 30 DEEERN N#CC1(S(=O)(=O)c2cc(Cl)ccc2Cl)CC(=O)C1 ZINC000086035475 192545730 /nfs/dbraw/zinc/54/57/30/192545730.db2.gz ORZIMVHLUIALGI-UHFFFAOYSA-N 0 0 304.154 2.392 10 30 DEEERN CC(C)CN(CCC#N)S(=O)(=O)c1cc(N)cc(F)c1F ZINC000086582491 192583081 /nfs/dbraw/zinc/58/30/81/192583081.db2.gz RRTJGICGZZIGCS-UHFFFAOYSA-N 0 0 317.361 2.107 10 30 DEEERN N#CCCN(CCC#N)C(=O)c1nscc1Br ZINC000404784469 356734203 /nfs/dbraw/zinc/73/42/03/356734203.db2.gz OWKFVDQNDNGWAI-UHFFFAOYSA-N 0 0 313.180 2.175 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@](C)(CO)C1CCCCC1 ZINC000578188747 356775261 /nfs/dbraw/zinc/77/52/61/356775261.db2.gz KAWVSMMFENOOOQ-JLJPHGGASA-N 0 0 310.438 2.208 10 30 DEEERN C[C@H](Nc1ccnc(C#N)c1)C1CCN(CC(F)(F)F)CC1 ZINC000578295286 356791207 /nfs/dbraw/zinc/79/12/07/356791207.db2.gz SHQNTBXXDNCQDO-NSHDSACASA-N 0 0 312.339 2.450 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)Cc1cccc(O)c1 ZINC000578317662 356796781 /nfs/dbraw/zinc/79/67/81/356796781.db2.gz RMVPSHFPYMIIMY-INWMFGNUSA-N 0 0 304.390 2.214 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1nc(C)c(C)s1 ZINC000578837445 356877147 /nfs/dbraw/zinc/87/71/47/356877147.db2.gz QPMUPSVTOXZZDR-VXGBXAGGSA-N 0 0 316.448 2.019 10 30 DEEERN C=CCCO[C@H](C)C(=O)N(C)c1ccc(C(F)(F)F)nn1 ZINC000578710850 356858076 /nfs/dbraw/zinc/85/80/76/356858076.db2.gz SWZJXTBZDIGSQY-SECBINFHSA-N 0 0 303.284 2.439 10 30 DEEERN N#Cc1ccsc1NC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128530541 283227931 /nfs/dbraw/zinc/22/79/31/283227931.db2.gz HKJZKAXEIKUWFD-CJNGLKHVSA-N 0 0 319.430 2.185 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000579585070 356998123 /nfs/dbraw/zinc/99/81/23/356998123.db2.gz CSJZSDVQMVFWMD-YQQAZPJKSA-N 0 0 308.422 2.180 10 30 DEEERN C=CCNC(=O)NC(=O)[C@H](C)N1CC(C)(C)Cc2ccccc21 ZINC000590006473 357511706 /nfs/dbraw/zinc/51/17/06/357511706.db2.gz FUMSKIKBUZXNSY-ZDUSSCGKSA-N 0 0 315.417 2.476 10 30 DEEERN C=CCN(CCC#N)C(=O)c1nnn(C2CC2)c1C(F)(F)F ZINC000590408986 357542253 /nfs/dbraw/zinc/54/22/53/357542253.db2.gz LXDAAOUURRPDHI-UHFFFAOYSA-N 0 0 313.283 2.174 10 30 DEEERN Cc1nc([C@@](C)(NC(=O)c2sccc2C#N)C2CC2)no1 ZINC000590495339 357551868 /nfs/dbraw/zinc/55/18/68/357551868.db2.gz VEYBMHLPZSOKLX-AWEZNQCLSA-N 0 0 302.359 2.366 10 30 DEEERN C=CCCCS(=O)(=O)N1CCc2cccc(C(=O)OC)c2C1 ZINC000592092903 357828320 /nfs/dbraw/zinc/82/83/20/357828320.db2.gz LVKBFOCTTSPKAO-UHFFFAOYSA-N 0 0 323.414 2.127 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000184931893 199783933 /nfs/dbraw/zinc/78/39/33/199783933.db2.gz QTGNTHIQGKNRSQ-GFCCVEGCSA-N 0 0 310.419 2.478 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000593168734 358025525 /nfs/dbraw/zinc/02/55/25/358025525.db2.gz SPONAGSWRXCNSA-DGAVXFQQSA-N 0 0 309.406 2.204 10 30 DEEERN CC(=O)N1CCc2cc(C(=O)NCC3(C#N)CCCC3)ccc21 ZINC000593780865 358141726 /nfs/dbraw/zinc/14/17/26/358141726.db2.gz FGIBAINYTNCDAQ-UHFFFAOYSA-N 0 0 311.385 2.409 10 30 DEEERN C=CCCn1cc(C[S@@](=O)c2ccc(COC)cc2)nn1 ZINC000593940502 358175684 /nfs/dbraw/zinc/17/56/84/358175684.db2.gz OFBDBQNAHNFYFL-OAQYLSRUSA-N 0 0 305.403 2.308 10 30 DEEERN C=CCCn1cc(COc2ccc(C(=O)OC)cc2OC)nn1 ZINC000594443599 358273637 /nfs/dbraw/zinc/27/36/37/358273637.db2.gz FCGYBVGSNQXEHU-UHFFFAOYSA-N 0 0 317.345 2.228 10 30 DEEERN C=CCCn1cc(CSCC(=O)N2CCCC[C@H]2C)nn1 ZINC000594564537 358295024 /nfs/dbraw/zinc/29/50/24/358295024.db2.gz YTNYGQDWECDGBA-CYBMUJFWSA-N 0 0 308.451 2.488 10 30 DEEERN C=CCCn1cc(COc2ccc(OC)c([N+](=O)[O-])c2)nn1 ZINC000594490738 358282629 /nfs/dbraw/zinc/28/26/29/358282629.db2.gz IAZMMBDLYKDKTI-UHFFFAOYSA-N 0 0 304.306 2.350 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000594789558 358337158 /nfs/dbraw/zinc/33/71/58/358337158.db2.gz NHJKOBOODNBOOP-IUODEOHRSA-N 0 0 305.403 2.366 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595372434 358434211 /nfs/dbraw/zinc/43/42/11/358434211.db2.gz IZUSSWBPVDSMGJ-TXEJJXNPSA-N 0 0 308.359 2.467 10 30 DEEERN C=C(C)CN(CC)C(=O)CSC[C@@H](OC)[C@@H]1CCOC1 ZINC000596397990 358679138 /nfs/dbraw/zinc/67/91/38/358679138.db2.gz TVXKDRZVOWQEIT-ZIAGYGMSSA-N 0 0 301.452 2.196 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)OC ZINC000596777202 358759274 /nfs/dbraw/zinc/75/92/74/358759274.db2.gz VMAKLQJTVLVZFU-LBPRGKRZSA-N 0 0 307.350 2.327 10 30 DEEERN C=CCCSCCNC(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000596694963 358741720 /nfs/dbraw/zinc/74/17/20/358741720.db2.gz NBSGEOJMKQQNIV-UHFFFAOYSA-N 0 0 321.402 2.448 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)Nc2ncc(C(=O)OCC)n2C)C1 ZINC000596901341 358784949 /nfs/dbraw/zinc/78/49/49/358784949.db2.gz IZRSPRUQRMOASI-GFCCVEGCSA-N 0 0 320.393 2.417 10 30 DEEERN C=C[C@](C)(O)C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000597308067 358885182 /nfs/dbraw/zinc/88/51/82/358885182.db2.gz ZBTJZHHWYOCXPP-KRWDZBQOSA-N 0 0 305.374 2.195 10 30 DEEERN C=CCCSCCNC(=O)C(=O)NCc1cccc(CC)c1 ZINC000597351097 358894817 /nfs/dbraw/zinc/89/48/17/358894817.db2.gz ANCLLFZNYOIDFX-UHFFFAOYSA-N 0 0 320.458 2.291 10 30 DEEERN C=CCOC[C@@H](NC(=O)C1CC2(C1)CCCCC2)C(=O)OC ZINC000597606155 358961606 /nfs/dbraw/zinc/96/16/06/358961606.db2.gz FACXJJXZJYWYGZ-CQSZACIVSA-N 0 0 309.406 2.207 10 30 DEEERN C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000627456689 366527184 /nfs/dbraw/zinc/52/71/84/366527184.db2.gz VASHTYFLVSZSEF-KBPBESRZSA-N 0 0 318.417 2.439 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000597865024 359028923 /nfs/dbraw/zinc/02/89/23/359028923.db2.gz RHHMPORHHVVEGE-QWHCGFSZSA-N 0 0 319.361 2.008 10 30 DEEERN C=CC(C)(C)C(=O)N1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000597928542 359044355 /nfs/dbraw/zinc/04/43/55/359044355.db2.gz XBXARFJIEBEUKM-ZJUUUORDSA-N 0 0 307.312 2.399 10 30 DEEERN C=CCC[C@@H](NC(=O)Cc1cc(C2CC2)no1)C(=O)OCC ZINC000597732015 358992120 /nfs/dbraw/zinc/99/21/20/358992120.db2.gz HAROJQKYLNOEQP-CYBMUJFWSA-N 0 0 306.362 2.109 10 30 DEEERN C=CCC[C@H](NC(=O)C[C@@H](C)n1ccc(C)n1)C(=O)OCC ZINC000597733027 358993096 /nfs/dbraw/zinc/99/30/96/358993096.db2.gz PEJWVUWKFOJKPR-KGLIPLIRSA-N 0 0 307.394 2.157 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000597794251 359008336 /nfs/dbraw/zinc/00/83/36/359008336.db2.gz LOLSRQNFGDZBHN-MELADBBJSA-N 0 0 309.406 2.062 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(C(=O)OC(C)(C)C)nc1 ZINC000598207055 359122682 /nfs/dbraw/zinc/12/26/82/359122682.db2.gz FHXMIMZKSPDYKA-UHFFFAOYSA-N 0 0 320.389 2.359 10 30 DEEERN C=CCCO[C@H](C)C(=O)NCc1ccc(C(=O)OC)cc1F ZINC000598350031 359173508 /nfs/dbraw/zinc/17/35/08/359173508.db2.gz IPCGHMOXOYZCPC-LLVKDONJSA-N 0 0 309.337 2.210 10 30 DEEERN C=CCN(Cc1ccc(C)c(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000599325176 359462863 /nfs/dbraw/zinc/46/28/63/359462863.db2.gz ATFXHRFLVLMWAN-INIZCTEOSA-N 0 0 304.415 2.042 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)c(C)c2)C1 ZINC000599374414 359481467 /nfs/dbraw/zinc/48/14/67/359481467.db2.gz IJPIKGYZNUBNON-ZDUSSCGKSA-N 0 0 323.414 2.368 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cnc(C(=O)OC(C)(C)C)cn2)C1 ZINC000600214722 359691759 /nfs/dbraw/zinc/69/17/59/359691759.db2.gz ZGUSTOLQFBYPLR-GFCCVEGCSA-N 0 0 317.389 2.470 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2nc(C(F)(F)F)co2)C1 ZINC000627733117 366603151 /nfs/dbraw/zinc/60/31/51/366603151.db2.gz LUHUOPOJXSZJNG-MRVPVSSYSA-N 0 0 317.267 2.057 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cncc(OCCC)c2)C1 ZINC000627733553 366603555 /nfs/dbraw/zinc/60/35/55/366603555.db2.gz XFFKUUVKDWOLIR-CYBMUJFWSA-N 0 0 317.389 2.234 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2-n2cccn2)C1 ZINC000627736385 366604342 /nfs/dbraw/zinc/60/43/42/366604342.db2.gz WJOGZLJXQZXRSH-CQSZACIVSA-N 0 0 324.384 2.235 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc3c[nH]nc3cc2C)C1 ZINC000627734324 366604394 /nfs/dbraw/zinc/60/43/94/366604394.db2.gz PUECRTSXULZTNQ-LBPRGKRZSA-N 0 0 312.373 2.234 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)CCCC3)C1 ZINC000627734494 366604566 /nfs/dbraw/zinc/60/45/66/366604566.db2.gz VBPYBHJVKKOWND-ZDUSSCGKSA-N 0 0 313.401 2.324 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(Br)ncc1Cl ZINC000188998647 200333581 /nfs/dbraw/zinc/33/35/81/200333581.db2.gz VHZFTOBBCGBGEJ-ZETCQYMHSA-N 0 0 319.586 2.164 10 30 DEEERN C=C(C)C[C@H](NS(=O)(=O)c1ccc(CC)s1)C(=O)OC ZINC000601503167 360056393 /nfs/dbraw/zinc/05/63/93/360056393.db2.gz YZPHGXGXZIYDOF-NSHDSACASA-N 0 0 317.432 2.097 10 30 DEEERN CO[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[C@@H]1C ZINC000189256945 200371395 /nfs/dbraw/zinc/37/13/95/200371395.db2.gz BADVMXNBIZDBLQ-WFASDCNBSA-N 0 0 312.373 2.465 10 30 DEEERN C=CC[C@@H](CC)NC(=O)NC[C@]1(C(=O)OCC)CCCOC1 ZINC000601609196 360086267 /nfs/dbraw/zinc/08/62/67/360086267.db2.gz VBBVLFSABKOQNV-CZUORRHYSA-N 0 0 312.410 2.000 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(CCC#N)CC1 ZINC000601619532 360089316 /nfs/dbraw/zinc/08/93/16/360089316.db2.gz LLPPVHDTOAABHB-HZPDHXFCSA-N 0 0 304.438 2.362 10 30 DEEERN C=CCC[C@@H](NC(=O)c1cncc(OC)c1C)C(=O)OCC ZINC000601620469 360090503 /nfs/dbraw/zinc/09/05/03/360090503.db2.gz JXNKZASKXJNJMS-CYBMUJFWSA-N 0 0 306.362 2.026 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](C)Oc1ccccc1F)C(=O)OC ZINC000601777606 360143563 /nfs/dbraw/zinc/14/35/63/360143563.db2.gz HWZPQAZPBVSCRN-YPMHNXCESA-N 0 0 309.337 2.217 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccn(C(CC)CC)n1)C(=O)OC ZINC000601782604 360146683 /nfs/dbraw/zinc/14/66/83/360146683.db2.gz RADOVWZNZNDCFQ-CQSZACIVSA-N 0 0 307.394 2.482 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cccc(C(F)(F)F)n1)C(=O)OC ZINC000601782964 360146817 /nfs/dbraw/zinc/14/68/17/360146817.db2.gz SJQYEHJQBHQXRI-SNVBAGLBSA-N 0 0 316.279 2.338 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cc1c[nH]c2ccc(F)cc12)C(=O)OC ZINC000601782965 360146894 /nfs/dbraw/zinc/14/68/94/360146894.db2.gz TXYNRJWOQWIWNP-OAHLLOKOSA-N 0 0 318.348 2.474 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H](C)c1cccc(OC)c1)C(=O)OC ZINC000601783634 360147679 /nfs/dbraw/zinc/14/76/79/360147679.db2.gz ANVPLHUBPKRTNW-DOMZBBRYSA-N 0 0 305.374 2.423 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(CC)c([N+](=O)[O-])c1)C(=O)OC ZINC000601783908 360147918 /nfs/dbraw/zinc/14/79/18/360147918.db2.gz ZQZPCCFZXWDTBO-CYBMUJFWSA-N 0 0 320.345 2.395 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H](C)Cc1ccc(OC)cc1)C(=O)OC ZINC000601785771 360148706 /nfs/dbraw/zinc/14/87/06/360148706.db2.gz CKYNJDCHISYORY-CZUORRHYSA-N 0 0 319.401 2.498 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN[C@H](C(=O)OC)c1cccc(OC)c1 ZINC000601930482 360195662 /nfs/dbraw/zinc/19/56/62/360195662.db2.gz WIIVVYNVZFYPFH-BPUTZDHNSA-N 0 0 305.374 2.090 10 30 DEEERN C=CCC(CC=C)C(=O)N1CCCC[C@@]1(COC)C(=O)OC ZINC000602368078 360350942 /nfs/dbraw/zinc/35/09/42/360350942.db2.gz QGGKAMVDSOBYBF-QGZVFWFLSA-N 0 0 309.406 2.326 10 30 DEEERN C=CCN(CCC#N)Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602671887 360488249 /nfs/dbraw/zinc/48/82/49/360488249.db2.gz MGPWNQWXYKSNQD-UHFFFAOYSA-N 0 0 304.394 2.277 10 30 DEEERN C=C(C)C[C@@H](NCc1cc(C(=O)OC)c(CC)o1)C(=O)OC ZINC000602734020 360525562 /nfs/dbraw/zinc/52/55/62/360525562.db2.gz MKXJHPRCVFVZIS-CYBMUJFWSA-N 0 0 309.362 2.226 10 30 DEEERN C=C(C)C[C@@H](NCc1cc2c(cc1OC)OCO2)C(=O)OC ZINC000602734667 360525723 /nfs/dbraw/zinc/52/57/23/360525723.db2.gz QUCCQIYXESTMSG-GFCCVEGCSA-N 0 0 307.346 2.021 10 30 DEEERN C=C(C)C[C@@H](NCc1cc(OC)c(OC)cc1OC)C(=O)OC ZINC000602733813 360526067 /nfs/dbraw/zinc/52/60/67/360526067.db2.gz XBFZMKKDCFVDMH-CYBMUJFWSA-N 0 0 323.389 2.310 10 30 DEEERN C=C(C)C[C@@H](NCc1ccc(O[C@H]2CCOC2)cc1)C(=O)OC ZINC000602739699 360529838 /nfs/dbraw/zinc/52/98/38/360529838.db2.gz SLSMZBJAHSGDHD-DLBZAZTESA-N 0 0 319.401 2.452 10 30 DEEERN C=C[C@@H](C(=O)OC)n1cc(CNc2c(C)cccc2C)nn1 ZINC000603232794 360759227 /nfs/dbraw/zinc/75/92/27/360759227.db2.gz FSTQHORJLLMRLA-AWEZNQCLSA-N 0 0 300.362 2.407 10 30 DEEERN C=CCn1c(SCc2cn(C)nc2[N+](=O)[O-])nnc1C1CC1 ZINC000603303914 360784348 /nfs/dbraw/zinc/78/43/48/360784348.db2.gz KLXUQMKTPIYTKT-UHFFFAOYSA-N 0 0 320.378 2.276 10 30 DEEERN CC(=O)N(c1nc(Cn2c(C)c(C)nc2C#N)cs1)C1CC1 ZINC000603350425 360803468 /nfs/dbraw/zinc/80/34/68/360803468.db2.gz UOGKSUCNPRQPBY-UHFFFAOYSA-N 0 0 315.402 2.392 10 30 DEEERN C=CCCCN(C)C(=O)Nc1cccc(N2C(=O)CNC2=O)c1 ZINC000605831822 360988292 /nfs/dbraw/zinc/98/82/92/360988292.db2.gz MLHKRNYRAGXROG-UHFFFAOYSA-N 0 0 316.361 2.173 10 30 DEEERN CC1(CNC(=O)Nc2ccc(C#N)c(Cl)c2)OCCCO1 ZINC000192170371 200830452 /nfs/dbraw/zinc/83/04/52/200830452.db2.gz SVMQKDQMQMXWMS-UHFFFAOYSA-N 0 0 309.753 2.486 10 30 DEEERN N#Cc1cc(C(=O)O[C@@H]([C@@H]2CCCO2)C(F)(F)F)ccn1 ZINC000193676295 201101664 /nfs/dbraw/zinc/10/16/64/201101664.db2.gz WQDLSCWYPJGZLT-QWRGUYRKSA-N 0 0 300.236 2.220 10 30 DEEERN N#Cc1cccc(CC(=O)NCCN2Cc3ccccc3C2)c1 ZINC000610520557 361415025 /nfs/dbraw/zinc/41/50/25/361415025.db2.gz WVKNTDCXWXOUSZ-UHFFFAOYSA-N 0 0 305.381 2.233 10 30 DEEERN C=CCOCCCC(=O)NC[C@]1(C)COc2ccccc2O1 ZINC000628325457 366811703 /nfs/dbraw/zinc/81/17/03/366811703.db2.gz NSQNEWDNCOPKIY-QGZVFWFLSA-N 0 0 305.374 2.316 10 30 DEEERN CO[C@@H]1C[C@H](NC(=O)NCc2ccc(C#N)cc2F)C1(C)C ZINC000610651421 361437171 /nfs/dbraw/zinc/43/71/71/361437171.db2.gz ALNNSQGLAYJOFQ-UONOGXRCSA-N 0 0 305.353 2.310 10 30 DEEERN N#Cc1ccc(CNC(=O)N[C@@H]2CCCc3c[nH]nc32)c(F)c1 ZINC000610847844 361476628 /nfs/dbraw/zinc/47/66/28/361476628.db2.gz YILOAEBTXUUDDJ-CQSZACIVSA-N 0 0 313.336 2.297 10 30 DEEERN CN(C(=O)Cc1cccc(C#N)c1)[C@H]1CCCc2c1cnn2C ZINC000610976863 361502082 /nfs/dbraw/zinc/50/20/82/361502082.db2.gz BIQDJUCCHJYWKB-INIZCTEOSA-N 0 0 308.385 2.370 10 30 DEEERN Cc1cccc(S(=O)(=O)NC[C@@H](C)c2ccncc2)c1C#N ZINC000611025353 361515049 /nfs/dbraw/zinc/51/50/49/361515049.db2.gz PZTMDJMMAWUHDV-CYBMUJFWSA-N 0 0 315.398 2.344 10 30 DEEERN Cc1nc(C(=O)Nc2nc3n(c2C#N)CCS3)c(C)s1 ZINC000611071854 361521426 /nfs/dbraw/zinc/52/14/26/361521426.db2.gz BVWCHWSNZKQSHC-UHFFFAOYSA-N 0 0 305.388 2.186 10 30 DEEERN Cc1nc2cc(F)c(F)cc2n1CC(=O)N[C@H](C#N)C1CC1 ZINC000619435727 363793601 /nfs/dbraw/zinc/79/36/01/363793601.db2.gz CGLOWXKWIQCWPP-CYBMUJFWSA-N 0 0 304.300 2.041 10 30 DEEERN N#Cc1ccc(CNC(=O)[C@H](O)CCc2ccccc2)c(F)c1 ZINC000611214583 361552322 /nfs/dbraw/zinc/55/23/22/361552322.db2.gz IDTZTHXPDDMJKM-QGZVFWFLSA-N 0 0 312.344 2.307 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CCCO[C@H]1C(C)C ZINC000612009080 361724078 /nfs/dbraw/zinc/72/40/78/361724078.db2.gz SMQCWDWKCHKBCY-PMPSAXMXSA-N 0 0 310.438 2.025 10 30 DEEERN N#Cc1ncccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000619460849 363804151 /nfs/dbraw/zinc/80/41/51/363804151.db2.gz ONIOVUHLJHFGFU-UHFFFAOYSA-N 0 0 311.385 2.417 10 30 DEEERN C[C@@H]1NC(=O)CC[C@H]1Nc1ccc(C#N)cc1Br ZINC000281589865 216406241 /nfs/dbraw/zinc/40/62/41/216406241.db2.gz GXLUTOWZHLJOLI-GZMMTYOYSA-N 0 0 308.179 2.400 10 30 DEEERN C=C[C@H](NCc1cccc(COC2CCOCC2)c1)C(=O)OC ZINC000619701619 363859548 /nfs/dbraw/zinc/85/95/48/363859548.db2.gz OWPDVAAZZAKUEQ-KRWDZBQOSA-N 0 0 319.401 2.199 10 30 DEEERN C[C@H](C(=O)Nc1cccc2c1OC(C)(C)C2)n1cnc(C#N)n1 ZINC000619599572 363837657 /nfs/dbraw/zinc/83/76/57/363837657.db2.gz MPAIHVOIHARVAI-SNVBAGLBSA-N 0 0 311.345 2.063 10 30 DEEERN N#Cc1ccc(CNC(=O)NCCCOC(F)F)c(F)c1 ZINC000619768183 363873257 /nfs/dbraw/zinc/87/32/57/363873257.db2.gz VDNZBNSZTQRGFS-UHFFFAOYSA-N 0 0 301.268 2.126 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(Cc2ccccn2)nn1 ZINC000620308918 364014088 /nfs/dbraw/zinc/01/40/88/364014088.db2.gz GVVKDOMRSGOUJX-GASCZTMLSA-N 0 0 309.373 2.045 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000620546902 364077165 /nfs/dbraw/zinc/07/71/65/364077165.db2.gz UYNZAJWWPUHUSE-MWDXBVQZSA-N 0 0 316.376 2.051 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CCOc2ccc(O)cc2C1 ZINC000620346600 364021018 /nfs/dbraw/zinc/02/10/18/364021018.db2.gz QKKNDDGDTIOLNP-KRWDZBQOSA-N 0 0 305.374 2.342 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000621123861 364269826 /nfs/dbraw/zinc/26/98/26/364269826.db2.gz RTGMRDXNVKRQPD-KCPJHIHWSA-N 0 0 305.365 2.486 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCC)cc2)C1 ZINC000628483404 366863973 /nfs/dbraw/zinc/86/39/73/366863973.db2.gz NPUNWGLBFGVEFE-ZDUSSCGKSA-N 0 0 322.430 2.023 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C[C@H](NC(N)=O)c2ccccc2)C1 ZINC000628484154 366864124 /nfs/dbraw/zinc/86/41/24/366864124.db2.gz FRQXKJRSGOBIDM-ZFWWWQNUSA-N 0 0 301.390 2.211 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CNC(=O)c2ccc(F)cc2F)C1 ZINC000628491424 366865039 /nfs/dbraw/zinc/86/50/39/366865039.db2.gz YIMNQTAPGLRYKG-LLVKDONJSA-N 0 0 308.328 2.119 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ncc(CCCC)cn1 ZINC000622881103 364819665 /nfs/dbraw/zinc/81/96/65/364819665.db2.gz QUYXSQNICUXZEN-CQSZACIVSA-N 0 0 304.394 2.229 10 30 DEEERN C=CCCOCCNC(=O)N1CCc2nc(C(C)C)ncc2C1 ZINC000623181992 364909926 /nfs/dbraw/zinc/90/99/26/364909926.db2.gz ZAYVRRTUPLZFPV-UHFFFAOYSA-N 0 0 318.421 2.260 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCCNC(=O)c2ccccc2)C1 ZINC000623405751 365017432 /nfs/dbraw/zinc/01/74/32/365017432.db2.gz YMQYSGLJVLGLIW-AWEZNQCLSA-N 0 0 301.390 2.024 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2cccc(C(=O)N(C)C)c2)C1 ZINC000623464902 365039800 /nfs/dbraw/zinc/03/98/00/365039800.db2.gz VATOCWBEAABXRH-CQSZACIVSA-N 0 0 315.417 2.496 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 ZINC000623800491 365177418 /nfs/dbraw/zinc/17/74/18/365177418.db2.gz LZHBSYWLKVZMJC-LSDHHAIUSA-N 0 0 300.406 2.268 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000623720988 365146675 /nfs/dbraw/zinc/14/66/75/365146675.db2.gz DIPSBVHLOJGAND-RYUDHWBXSA-N 0 0 305.344 2.231 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2C[C@H](OCC)[C@@]23CCCO3)C1 ZINC000623886055 365210205 /nfs/dbraw/zinc/21/02/05/365210205.db2.gz PWEGHBSAGMREMC-PNBKFKSVSA-N 0 0 308.422 2.321 10 30 DEEERN Cc1ccc([C@H](C)NC(=O)c2ccncc2C#CCO)s1 ZINC000091458572 193058871 /nfs/dbraw/zinc/05/88/71/193058871.db2.gz DDWAMQCHVGVDSY-LBPRGKRZSA-N 0 0 300.383 2.286 10 30 DEEERN CSC1(C#N)CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000091473186 193061694 /nfs/dbraw/zinc/06/16/94/193061694.db2.gz LDTPQWDTCFZUSR-AWEZNQCLSA-N 0 0 302.399 2.238 10 30 DEEERN C=CC(C)(C)CCNC(=O)N(CC)[C@@H](C)CS(C)(=O)=O ZINC000624466085 365431399 /nfs/dbraw/zinc/43/13/99/365431399.db2.gz HTZKFGZUDCAUJH-LBPRGKRZSA-N 0 0 304.456 2.053 10 30 DEEERN C=CCC[C@H](C(=O)NC[C@@H](O)[C@@H]1CCCO1)c1ccccc1 ZINC000628594814 366892680 /nfs/dbraw/zinc/89/26/80/366892680.db2.gz VJNMSQBPYOTRGG-BBWFWOEESA-N 0 0 303.402 2.393 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CC(OCCCc2ccccc2)C1 ZINC000450048813 241380672 /nfs/dbraw/zinc/38/06/72/241380672.db2.gz XOUUKEFLIQGELB-UHFFFAOYSA-N 0 0 323.396 2.371 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1Cc2cccc(OC)c2C1 ZINC000629112327 367083148 /nfs/dbraw/zinc/08/31/48/367083148.db2.gz WZAPICFNURAWBP-HNNXBMFYSA-N 0 0 302.374 2.008 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)Oc1ccc(F)cc1C(N)=O ZINC000629382339 367184262 /nfs/dbraw/zinc/18/42/62/367184262.db2.gz XUMLOVQNYOPIJP-NSHDSACASA-N 0 0 308.353 2.117 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cc(C)n(CC(F)(F)F)n2)C1=O ZINC000630522099 367704543 /nfs/dbraw/zinc/70/45/43/367704543.db2.gz NCVMHQTUPSLTAF-SECBINFHSA-N 0 0 316.283 2.145 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cccc([C@@H]3CCC(=O)N3)c2)C1=O ZINC000630522153 367704793 /nfs/dbraw/zinc/70/47/93/367704793.db2.gz NSSGZQFAKVJSKN-KBPBESRZSA-N 0 0 313.357 2.029 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2ccc(F)c(NC(C)=O)c2)C1=O ZINC000630501537 367692465 /nfs/dbraw/zinc/69/24/65/367692465.db2.gz JBRXIHPFJBUWBP-CYBMUJFWSA-N 0 0 305.309 2.175 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cccc(-c3n[nH]c(C)n3)c2)C1=O ZINC000630506212 367694714 /nfs/dbraw/zinc/69/47/14/367694714.db2.gz WHFBRFRGVQZKMC-CYBMUJFWSA-N 0 0 311.345 2.171 10 30 DEEERN C=CCC[C@H]1NC(=O)N(c2ccn(C3CCSCC3)n2)C1=O ZINC000630536699 367711948 /nfs/dbraw/zinc/71/19/48/367711948.db2.gz RSUDWBKHWHCINT-GFCCVEGCSA-N 0 0 320.418 2.342 10 30 DEEERN C=C1CC(C)(C(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000630539954 367714794 /nfs/dbraw/zinc/71/47/94/367714794.db2.gz PVFYPFLBGTWGOQ-UHFFFAOYSA-N 0 0 314.429 2.491 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H](C)O[C@H]2C)cc1 ZINC000630787048 367844978 /nfs/dbraw/zinc/84/49/78/367844978.db2.gz YFMFPSWIUFRZKT-SLEUVZQESA-N 0 0 302.374 2.354 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H](C)Oc2ccc(F)cc2)C1=O ZINC000630973862 367945013 /nfs/dbraw/zinc/94/50/13/367945013.db2.gz GBYIAICWQHYAGY-FZMZJTMJSA-N 0 0 306.337 2.480 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H](COC)Cc2ccccc2)C1=O ZINC000630975344 367946411 /nfs/dbraw/zinc/94/64/11/367946411.db2.gz KWKHERZRJKWJHE-CABCVRRESA-N 0 0 302.374 2.131 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H](CCOC)Cc2ccco2)C1=O ZINC000630975869 367946471 /nfs/dbraw/zinc/94/64/71/367946471.db2.gz AFLLHDGCCJCXSW-JSGCOSHPSA-N 0 0 306.362 2.114 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccnc(OC(C)C)c2)C1=O ZINC000630977478 367948002 /nfs/dbraw/zinc/94/80/02/367948002.db2.gz DMUCIABDWNMGAF-ZDUSSCGKSA-N 0 0 303.362 2.255 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2CCc3cc(O)ccc3C2)C1=O ZINC000630981047 367948437 /nfs/dbraw/zinc/94/84/37/367948437.db2.gz FBRQPFLRXNZEFC-HIFRSBDPSA-N 0 0 300.358 2.136 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2COc3cccc(C)c3C2)C1=O ZINC000630984168 367950840 /nfs/dbraw/zinc/95/08/40/367950840.db2.gz AKXWUPIIDKKQDW-JSGCOSHPSA-N 0 0 300.358 2.185 10 30 DEEERN C=C(C)CN(CC)S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000631645838 368324623 /nfs/dbraw/zinc/32/46/23/368324623.db2.gz BAVRAXJKJCKJFN-UHFFFAOYSA-N 0 0 311.329 2.026 10 30 DEEERN CCC[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)OC ZINC000452296253 244120835 /nfs/dbraw/zinc/12/08/35/244120835.db2.gz JKNYJNIKXZVVMZ-BLLLJJGKSA-N 0 0 312.410 2.179 10 30 DEEERN Cn1nc(-c2ccccc2)c(CN2CCO[C@@H](C#N)C2)c1Cl ZINC000093136317 193206877 /nfs/dbraw/zinc/20/68/77/193206877.db2.gz QVPZAOKIADGOEO-ZDUSSCGKSA-N 0 0 316.792 2.465 10 30 DEEERN CCCc1cc(=O)[nH]c(S[C@H]2CC[C@](C#N)(NCC)C2)n1 ZINC000093806304 193308892 /nfs/dbraw/zinc/30/88/92/193308892.db2.gz IKPUCJPDNYOCIA-WFASDCNBSA-N 0 0 306.435 2.239 10 30 DEEERN N#C[C@@]1(NC2CC2)CC[C@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093806746 193309213 /nfs/dbraw/zinc/30/92/13/193309213.db2.gz QMVURXTYBXIPEQ-IINYFYTJSA-N 0 0 300.391 2.012 10 30 DEEERN COc1cc(F)ccc1NC(=O)c1csc(C#CCO)c1 ZINC000093974519 193333247 /nfs/dbraw/zinc/33/32/47/193333247.db2.gz NCIOIIYUCMUJOV-UHFFFAOYSA-N 0 0 305.330 2.492 10 30 DEEERN CCn1c(Sc2nc(C(F)(F)F)ccc2C#N)n[nH]c1=O ZINC000094336986 193361206 /nfs/dbraw/zinc/36/12/06/193361206.db2.gz PTQGJHSSTWYQQE-UHFFFAOYSA-N 0 0 315.280 2.028 10 30 DEEERN CCCNc1nc(N)c(C#N)c(C(=O)c2ccccc2)c1C#N ZINC000096336744 193614216 /nfs/dbraw/zinc/61/42/16/193614216.db2.gz CIMLKALOXJTDSM-UHFFFAOYSA-N 0 0 305.341 2.460 10 30 DEEERN C#CCN(CC1CC1)S(=O)(=O)c1cc(N)c(Cl)cc1C ZINC000161803052 197520043 /nfs/dbraw/zinc/52/00/43/197520043.db2.gz CVSRQOASNPGPKX-UHFFFAOYSA-N 0 0 312.822 2.265 10 30 DEEERN Cc1ncc(CNC(=O)c2cc(C)ccc2C#CCO)s1 ZINC000161610327 197507395 /nfs/dbraw/zinc/50/73/95/197507395.db2.gz UBWSNUVLURVIIM-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000160226332 197393590 /nfs/dbraw/zinc/39/35/90/197393590.db2.gz ARUHPXCUJKINRC-UHFFFAOYSA-N 0 0 318.340 2.310 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCCNC(=O)c1ccccc1 ZINC000160435878 197410410 /nfs/dbraw/zinc/41/04/10/197410410.db2.gz CYJPTRLINZOMLO-UHFFFAOYSA-N 0 0 307.353 2.027 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)CC)C1 ZINC000098105905 193786086 /nfs/dbraw/zinc/78/60/86/193786086.db2.gz BAHYNKGVVDATRC-LLVKDONJSA-N 0 0 306.328 2.212 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000456754581 247399368 /nfs/dbraw/zinc/39/93/68/247399368.db2.gz IPCYMKZVEBPIFB-DAXOMENPSA-N 0 0 316.401 2.338 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)NCCc1ccc2ccccc2n1 ZINC000458089048 248143755 /nfs/dbraw/zinc/14/37/55/248143755.db2.gz LIJRQDZVXSVEDT-INIZCTEOSA-N 0 0 313.401 2.404 10 30 DEEERN COC(=O)c1coc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)c1 ZINC000183979769 284611435 /nfs/dbraw/zinc/61/14/35/284611435.db2.gz LLVKDVNFLPUYCR-GOSISDBHSA-N 0 0 324.336 2.247 10 30 DEEERN Cc1ccc(/C=C2\Oc3cc(OCC(N)=O)ccc3C2=O)cc1 ZINC000039754422 183021747 /nfs/dbraw/zinc/02/17/47/183021747.db2.gz SIZMMNLFHCAOLB-PXNMLYILSA-N 0 0 309.321 2.475 10 30 DEEERN Cc1ccc(C#CCCO)cc1S(=O)(=O)NCC(C)(C)C ZINC000040495167 183081436 /nfs/dbraw/zinc/08/14/36/183081436.db2.gz HGGUFTFZIJWDAU-UHFFFAOYSA-N 0 0 309.431 2.053 10 30 DEEERN C[C@@H](CN(C)Cc1ccc(Br)cc1F)/C(N)=N/O ZINC000042458315 183273016 /nfs/dbraw/zinc/27/30/16/183273016.db2.gz DLXVLXKDCPOGTK-QMMMGPOBSA-N 0 0 318.190 2.403 10 30 DEEERN CC(C)N(CCC#N)S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000042530592 183282264 /nfs/dbraw/zinc/28/22/64/183282264.db2.gz PCAIYGFVVWZJBW-UHFFFAOYSA-N 0 0 315.326 2.047 10 30 DEEERN N#Cc1cc(N)c(OC(F)F)c(I)c1 ZINC000043415151 183361290 /nfs/dbraw/zinc/36/12/90/183361290.db2.gz JXDHDOCMPWJDON-UHFFFAOYSA-N 0 0 310.041 2.346 10 30 DEEERN COC[C@@H]1CN(CCOc2ccccc2C#N)CC(C)(C)O1 ZINC000284435962 218026177 /nfs/dbraw/zinc/02/61/77/218026177.db2.gz BEXGQVWUFRRHFW-HNNXBMFYSA-N 0 0 304.390 2.063 10 30 DEEERN C=C(Br)CN1CCCN(c2ccc(C)nn2)CC1 ZINC000105909379 194165836 /nfs/dbraw/zinc/16/58/36/194165836.db2.gz SCSIGTCBKVXZJA-UHFFFAOYSA-N 0 0 311.227 2.206 10 30 DEEERN CN(c1cccc(F)c1)S(=O)(=O)c1ccc(N)cc1C#N ZINC000050002462 183767346 /nfs/dbraw/zinc/76/73/46/183767346.db2.gz NSKMIGLRECXYIU-UHFFFAOYSA-N 0 0 305.334 2.105 10 30 DEEERN CCC[C@H](CC)NS(=O)(=O)c1ccccc1C#CCCO ZINC000050398616 183784862 /nfs/dbraw/zinc/78/48/62/183784862.db2.gz UTJASGKMLYGPDM-HNNXBMFYSA-N 0 0 309.431 2.278 10 30 DEEERN CCN[C@](C#N)(CSc1nnc(C)n1C)c1ccccc1 ZINC000110028170 194304422 /nfs/dbraw/zinc/30/44/22/194304422.db2.gz GNMQZDLWASMVQK-OAHLLOKOSA-N 0 0 301.419 2.244 10 30 DEEERN C[C@@H](C#N)CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000054157645 183927276 /nfs/dbraw/zinc/92/72/76/183927276.db2.gz WMCCUWZEMYMKLP-ZETCQYMHSA-N 0 0 312.123 2.247 10 30 DEEERN Cc1nc(N)sc1C(=O)N(C)Cc1cc(C#N)ccc1F ZINC000055173737 183968424 /nfs/dbraw/zinc/96/84/24/183968424.db2.gz QUJWSPOBXCICLV-UHFFFAOYSA-N 0 0 304.350 2.317 10 30 DEEERN CCCOC(=O)c1ccc(NN=C(C#N)C(=O)OCC)cc1 ZINC000059449509 184139120 /nfs/dbraw/zinc/13/91/20/184139120.db2.gz AITDYVUZQYEYRS-QGOAFFKASA-N 0 0 303.318 2.108 10 30 DEEERN Cc1nc(Cl)sc1S(=O)(=O)N[C@@H]1CCC[C@H]1C#N ZINC000061890348 184193007 /nfs/dbraw/zinc/19/30/07/184193007.db2.gz FLUVSQUYCOCPSZ-JGVFFNPUSA-N 0 0 305.812 2.076 10 30 DEEERN O=C(Nc1ncc(C#CCO)s1)c1cc(F)c(F)c(F)c1 ZINC000063008345 184265898 /nfs/dbraw/zinc/26/58/98/184265898.db2.gz LDGGIHVDYPKKQF-UHFFFAOYSA-N 0 0 312.272 2.157 10 30 DEEERN COc1ccc(C(=O)NCc2ccsc2)cc1C#CCO ZINC000063151451 184273568 /nfs/dbraw/zinc/27/35/68/184273568.db2.gz LSYBNGODZWQIMU-UHFFFAOYSA-N 0 0 301.367 2.031 10 30 DEEERN C=CCN(CC=C)CC(=O)Nc1ccc(C(=O)NCC)cc1 ZINC000066215841 184397339 /nfs/dbraw/zinc/39/73/39/184397339.db2.gz JQGJBYKKUJIWFJ-UHFFFAOYSA-N 0 0 301.390 2.049 10 30 DEEERN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1(C#N)CCCC1 ZINC000112903667 194533922 /nfs/dbraw/zinc/53/39/22/194533922.db2.gz JEKLNWDHWGUCGJ-NSHDSACASA-N 0 0 319.792 2.411 10 30 DEEERN C=C(C)[C@H](CC(=O)NC[C@H](O)c1ccccc1OC)OCC ZINC000270174532 208239228 /nfs/dbraw/zinc/23/92/28/208239228.db2.gz DGDHWVXJCRTMJW-HOCLYGCPSA-N 0 0 307.390 2.216 10 30 DEEERN CS(=O)(=O)CCc1ccc(Nc2ccc(C#N)cn2)cc1 ZINC000120161088 195108919 /nfs/dbraw/zinc/10/89/19/195108919.db2.gz MUDFRJUSGJQCGO-UHFFFAOYSA-N 0 0 301.371 2.284 10 30 DEEERN Clc1cccc(C#CCN2CCN(c3cccnn3)CC2)c1 ZINC000158033077 197238161 /nfs/dbraw/zinc/23/81/61/197238161.db2.gz YFKAWQPLPLBTME-UHFFFAOYSA-N 0 0 312.804 2.304 10 30 DEEERN C#Cc1cccc(NC(=O)N2CCCN(c3cccnn3)CC2)c1 ZINC000157959041 197230023 /nfs/dbraw/zinc/23/00/23/197230023.db2.gz RBDGAWUAJHOVNC-UHFFFAOYSA-N 0 0 321.384 2.202 10 30 DEEERN CC(C)Cc1ccc([C@@H](O)[C@]2(C#N)CCS(=O)(=O)C2)cc1 ZINC000157664386 197205510 /nfs/dbraw/zinc/20/55/10/197205510.db2.gz DWVOJXIPEFKXAA-CVEARBPZSA-N 0 0 307.415 2.247 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC000541578959 285173548 /nfs/dbraw/zinc/17/35/48/285173548.db2.gz SJFMLDUHYXQXOQ-OAHLLOKOSA-N 0 0 311.385 2.352 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1CCC[C@H](N2CCCC2=O)C1 ZINC000541578954 285173561 /nfs/dbraw/zinc/17/35/61/285173561.db2.gz SJFMLDUHYXQXOQ-HNNXBMFYSA-N 0 0 311.385 2.352 10 30 DEEERN C[C@H](N(C)CCS(=O)(=O)c1cccc(C#N)c1)C1(C)CC1 ZINC000156838355 197143478 /nfs/dbraw/zinc/14/34/78/197143478.db2.gz UTTBWCCWQHAMHU-ZDUSSCGKSA-N 0 0 306.431 2.452 10 30 DEEERN O=C(NC[C@H]1CCCCS1)c1ccc(C#CCO)cc1F ZINC000156561566 197123605 /nfs/dbraw/zinc/12/36/05/197123605.db2.gz FTMOLDLQNQYAFC-CYBMUJFWSA-N 0 0 307.390 2.185 10 30 DEEERN O=C(NC[C@@H]1CCCCS1)c1sccc1C#CCCO ZINC000156558146 197123047 /nfs/dbraw/zinc/12/30/47/197123047.db2.gz AHBLNLDJUUYTGV-ZDUSSCGKSA-N 0 0 309.456 2.498 10 30 DEEERN C=CCN(CC=C)C(=O)CN1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000156520023 197119870 /nfs/dbraw/zinc/11/98/70/197119870.db2.gz JALZKMPYYGHNDT-HNNXBMFYSA-N 0 0 322.449 2.241 10 30 DEEERN COC(=O)[C@@]12CCC[C@H]1CN(c1ccc(Cl)c(C#N)n1)C2 ZINC000302185464 533154182 /nfs/dbraw/zinc/15/41/82/533154182.db2.gz PEMVPRMTYINKKI-ZUZCIYMTSA-N 0 0 305.765 2.386 10 30 DEEERN CN(Cc1cccc(C#CCO)c1)C(=O)[C@@H]1CCCCS1 ZINC000156271301 197100262 /nfs/dbraw/zinc/10/02/62/197100262.db2.gz LKIVDPNVIGWXCJ-INIZCTEOSA-N 0 0 303.427 2.275 10 30 DEEERN C[C@@H](NC(=O)c1ccc(C#N)cn1)c1cn(-c2ccccc2)nn1 ZINC000155515093 197061810 /nfs/dbraw/zinc/06/18/10/197061810.db2.gz FTIXXJJJRSJLCY-GFCCVEGCSA-N 0 0 318.340 2.025 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000155053522 197017538 /nfs/dbraw/zinc/01/75/38/197017538.db2.gz PUPCFPKRMVPSSO-UHFFFAOYSA-N 0 0 309.373 2.011 10 30 DEEERN C[C@H](CNc1ccc(C#N)cc1Br)[S@](C)=O ZINC000120430958 195165253 /nfs/dbraw/zinc/16/52/53/195165253.db2.gz RWLQDWXMGQKROJ-VPTHRUTESA-N 0 0 301.209 2.500 10 30 DEEERN C[C@@]12CC[C@@H]3[C@H](CC(=O)C4=CC(=O)CC[C@]43C)[C@@]1(O)CCC2=O ZINC000253629650 257257897 /nfs/dbraw/zinc/25/78/97/257257897.db2.gz UKVVNEHFNYKGMX-UOESKWBISA-N 0 0 316.397 2.381 10 30 DEEERN N#Cc1c(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cn2ccccc12 ZINC000121126498 195296242 /nfs/dbraw/zinc/29/62/42/195296242.db2.gz VOXHYCLIRWLVTM-KBPBESRZSA-N 0 0 305.337 2.262 10 30 DEEERN Cn1cc(CN2CCCN(Cc3ccc(C#N)s3)CC2)cn1 ZINC000121588189 195311174 /nfs/dbraw/zinc/31/11/74/195311174.db2.gz YOZHKWZNAMYNIT-UHFFFAOYSA-N 0 0 315.446 2.061 10 30 DEEERN N#Cc1cccc(Cc2nc([C@H]3CC(=O)N(C4CC4)C3)no2)c1 ZINC000544962671 285382990 /nfs/dbraw/zinc/38/29/90/285382990.db2.gz FZRDSMVXQUESFJ-ZDUSSCGKSA-N 0 0 308.341 2.010 10 30 DEEERN COC(=O)C12CCC(C(=O)N[C@H]3CCC[C@@H]3C#N)(CC1)CC2 ZINC000408020384 533262737 /nfs/dbraw/zinc/26/27/37/533262737.db2.gz HMYXVDZBGAWHCP-UDNWOHKBSA-N 0 0 304.390 2.308 10 30 DEEERN COc1ccc2c(c1)OC[C@H](C(=O)N1CCC(C)(C#N)CC1)C2 ZINC000370363920 533282971 /nfs/dbraw/zinc/28/29/71/533282971.db2.gz AQZWATVDJLMOGY-CQSZACIVSA-N 0 0 314.385 2.399 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cccc(CC#N)c3)[C@H]2C1 ZINC000245697297 533432441 /nfs/dbraw/zinc/43/24/41/533432441.db2.gz KSBRIQUKNBTVGU-IKGGRYGDSA-N 0 0 314.385 2.161 10 30 DEEERN C=C(C)CCNC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000454876611 533488022 /nfs/dbraw/zinc/48/80/22/533488022.db2.gz TVKKNAZJZFDYPH-UHFFFAOYSA-N 0 0 319.409 2.030 10 30 DEEERN COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000189622519 533500893 /nfs/dbraw/zinc/50/08/93/533500893.db2.gz ABJBILILKGGDAT-CYBMUJFWSA-N 0 0 318.373 2.019 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N(C)C[C@H](C)CC ZINC000453461294 533536664 /nfs/dbraw/zinc/53/66/64/533536664.db2.gz OMSCOUVLPLUHPI-GFCCVEGCSA-N 0 0 317.441 2.440 10 30 DEEERN Cn1ccnc1[C@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000372502071 133356268 /nfs/dbraw/zinc/35/62/68/133356268.db2.gz JAZXEEFVTRJKTR-HNNXBMFYSA-N 0 0 320.396 2.339 10 30 DEEERN C[C@@H]1CCCN(C(=O)C2CCN(c3ccncc3C#N)CC2)C1 ZINC000373460110 133391896 /nfs/dbraw/zinc/39/18/96/133391896.db2.gz OOKSVYXNVXCIGH-CQSZACIVSA-N 0 0 312.417 2.428 10 30 DEEERN COC(=O)[C@H]1CCCN(c2ncc(Br)cc2C#N)C1 ZINC000294776371 134418777 /nfs/dbraw/zinc/41/87/77/134418777.db2.gz ADUHZBHDFHFHAP-VIFPVBQESA-N 0 0 324.178 2.105 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000350839641 404480329 /nfs/dbraw/zinc/48/03/29/404480329.db2.gz ZWNAPHSOTKRNJX-JKSUJKDBSA-N 0 0 317.433 2.139 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)c3cc(C4CC4)on3)C2)cc1 ZINC000184335981 144942801 /nfs/dbraw/zinc/94/28/01/144942801.db2.gz AZRZPYODRCPFIY-UHFFFAOYSA-N 0 0 309.325 2.327 10 30 DEEERN N#Cc1ccc(C2(C(=O)N[C@@H]3Cc4ccccc4[C@H]3O)CC2)cc1 ZINC000188792121 145017517 /nfs/dbraw/zinc/01/75/17/145017517.db2.gz MTXXHEDYYFNBLE-QZTJIDSGSA-N 0 0 318.376 2.364 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cccc(F)c3C#N)[C@@H]2C1 ZINC000188840560 145018551 /nfs/dbraw/zinc/01/85/51/145018551.db2.gz VSWMDGSCAJKNSZ-LYRGGWFBSA-N 0 0 318.348 2.106 10 30 DEEERN CN(C)c1cccc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)n1 ZINC000188913526 145019640 /nfs/dbraw/zinc/01/96/40/145019640.db2.gz OXOSOXLLFMGGML-UHFFFAOYSA-N 0 0 320.396 2.367 10 30 DEEERN N#Cc1c(F)cccc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000189214747 145024083 /nfs/dbraw/zinc/02/40/83/145024083.db2.gz LVMPXMOODBNIOG-SJCJKPOMSA-N 0 0 302.349 2.465 10 30 DEEERN CCn1cc([C@@H]2CN(C(=O)c3sccc3C#N)CCO2)cn1 ZINC000191774245 145064509 /nfs/dbraw/zinc/06/45/09/145064509.db2.gz LJNJTCNEKIZNHF-ZDUSSCGKSA-N 0 0 316.386 2.050 10 30 DEEERN Cn1ccnc1-c1noc(NCc2c(F)cc(C#N)cc2F)n1 ZINC000192746798 145078597 /nfs/dbraw/zinc/07/85/97/145078597.db2.gz VSPMHPIDWAHNOW-UHFFFAOYSA-N 0 0 316.271 2.232 10 30 DEEERN N#Cc1cc(C(=O)Nc2ccn(CCc3ccncc3)n2)ccn1 ZINC000193046678 145081613 /nfs/dbraw/zinc/08/16/13/145081613.db2.gz BQCCQWRRZXMIBE-UHFFFAOYSA-N 0 0 318.340 2.040 10 30 DEEERN Cn1cc(-c2csc(NC(=O)c3ccnc(C#N)c3)n2)cn1 ZINC000193347351 145085255 /nfs/dbraw/zinc/08/52/55/145085255.db2.gz VCEXZBCBAUDURZ-UHFFFAOYSA-N 0 0 310.342 2.063 10 30 DEEERN N#Cc1ccsc1NC(=O)CN1CC[C@H]2OCCC[C@H]2C1 ZINC000246445748 145102763 /nfs/dbraw/zinc/10/27/63/145102763.db2.gz BOZUNDFPXMHDCD-QWHCGFSZSA-N 0 0 305.403 2.059 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(C#N)ccc1OC ZINC000248870086 145171480 /nfs/dbraw/zinc/17/14/80/145171480.db2.gz UREDLTNGQQMIEW-UNEWFSDZSA-N 0 0 314.385 2.340 10 30 DEEERN Cc1oc(C#N)cc1-c1nc([C@@H]2CN3CCCC[C@@H]3CO2)no1 ZINC000346883149 146158694 /nfs/dbraw/zinc/15/86/94/146158694.db2.gz SCXRTNUGZFKMFQ-RISCZKNCSA-N 0 0 314.345 2.436 10 30 DEEERN Cc1nc[nH]c1CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000359508594 147339457 /nfs/dbraw/zinc/33/94/57/147339457.db2.gz HAACHKXQABGXPY-MRXNPFEDSA-N 0 0 312.373 2.310 10 30 DEEERN C[C@H]1N(C(=O)COc2ccc(C#N)cc2)CCC12CCOCC2 ZINC000374953756 148309781 /nfs/dbraw/zinc/30/97/81/148309781.db2.gz NLXXDHFWOVYIFK-CQSZACIVSA-N 0 0 314.385 2.355 10 30 DEEERN C[C@@H]1CCOCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000374979202 148311835 /nfs/dbraw/zinc/31/18/35/148311835.db2.gz LEORMGIDWXVORZ-SNVBAGLBSA-N 0 0 314.794 2.011 10 30 DEEERN N#Cc1cc(Br)cnc1NCCCn1ccnc1 ZINC000074370452 401737015 /nfs/dbraw/zinc/73/70/15/401737015.db2.gz QQGLMBMBBLNMPD-UHFFFAOYSA-N 0 0 306.167 2.414 10 30 DEEERN N#Cc1ccccc1OCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000128057533 401760642 /nfs/dbraw/zinc/76/06/42/401760642.db2.gz XCEHYEXMYOZUFQ-YJBOKZPZSA-N 0 0 314.385 2.091 10 30 DEEERN CC[C@@H]1CCCCCN1C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000075503684 401761211 /nfs/dbraw/zinc/76/12/11/401761211.db2.gz UDNRGPXSMLPDJO-MRXNPFEDSA-N 0 0 313.401 2.469 10 30 DEEERN C[C@H](O/N=C/c1cccc([N+](=O)[O-])c1)C(=O)NCC(F)(F)F ZINC000012859916 401792826 /nfs/dbraw/zinc/79/28/26/401792826.db2.gz CDMCSLARJLMGHD-INAZWQERSA-N 0 0 319.239 2.012 10 30 DEEERN C=CCCCN(C)C(=O)Cn1c2ccccc2n(CC)c1=O ZINC000076491254 401796393 /nfs/dbraw/zinc/79/63/93/401796393.db2.gz HSDKUFMARVKIGI-UHFFFAOYSA-N 0 0 301.390 2.248 10 30 DEEERN CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1nccs1 ZINC000078004522 401838024 /nfs/dbraw/zinc/83/80/24/401838024.db2.gz WMGKDXSJYFCEDX-GFCCVEGCSA-N 0 0 307.400 2.444 10 30 DEEERN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116318696 401849047 /nfs/dbraw/zinc/84/90/47/401849047.db2.gz KVEOBIKPKBRQET-HIFRSBDPSA-N 0 0 323.400 2.108 10 30 DEEERN C=CCNC(=O)N1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000118051918 401890171 /nfs/dbraw/zinc/89/01/71/401890171.db2.gz CRSHKXTWWORWDO-AWEZNQCLSA-N 0 0 317.389 2.302 10 30 DEEERN N#Cc1cccc(NC(=O)CN2CCC(=O)Nc3ccccc32)c1 ZINC000118845747 401911632 /nfs/dbraw/zinc/91/16/32/401911632.db2.gz GBQIVQFOVUNXTA-UHFFFAOYSA-N 0 0 320.352 2.346 10 30 DEEERN C=C[C@H](CC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000136088438 401960372 /nfs/dbraw/zinc/96/03/72/401960372.db2.gz LLBCTBLPAIRSSH-AEFFLSMTSA-N 0 0 314.429 2.279 10 30 DEEERN C=C(C)COCCNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000136220365 401962999 /nfs/dbraw/zinc/96/29/99/401962999.db2.gz WEJAUFNDKHTXAR-UHFFFAOYSA-N 0 0 320.364 2.275 10 30 DEEERN C#Cc1cccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1 ZINC000136507940 401968317 /nfs/dbraw/zinc/96/83/17/401968317.db2.gz XNLDMUIWTRTYEO-GOEBONIOSA-N 0 0 311.385 2.190 10 30 DEEERN CCOC(=O)CC[C@@H](C)NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000089938913 401975761 /nfs/dbraw/zinc/97/57/61/401975761.db2.gz KCSVJDQMMPQJGL-CYBMUJFWSA-N 0 0 317.389 2.431 10 30 DEEERN C#Cc1cccc(NC(=O)[C@H](CCCC)NC(=O)NCC)c1 ZINC000137131363 401979769 /nfs/dbraw/zinc/97/97/69/401979769.db2.gz OMSUITISIWKNJJ-HNNXBMFYSA-N 0 0 301.390 2.484 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000137477576 401983584 /nfs/dbraw/zinc/98/35/84/401983584.db2.gz QRWVKQMHWNZWRH-UHFFFAOYSA-N 0 0 311.259 2.344 10 30 DEEERN N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2CCC(=O)N2)cc1 ZINC000091101284 401993473 /nfs/dbraw/zinc/99/34/73/401993473.db2.gz QMXKYUBIYPKKCI-KRWDZBQOSA-N 0 0 319.364 2.120 10 30 DEEERN C=CCNC(=O)[C@H]1CCN(c2cccc(C(F)(F)F)c2)C1=O ZINC000096280899 402076189 /nfs/dbraw/zinc/07/61/89/402076189.db2.gz IZFMHJFVEWITFD-GFCCVEGCSA-N 0 0 312.291 2.361 10 30 DEEERN CCOC(=O)[C@@H](CNc1cnc(C#N)cn1)Cc1ccccc1 ZINC000122625349 402087985 /nfs/dbraw/zinc/08/79/85/402087985.db2.gz YSWWRBUSOWGBRL-CQSZACIVSA-N 0 0 310.357 2.182 10 30 DEEERN N#Cc1cc(S(=O)(=O)NC[C@H]2CCCS2)ccc1Cl ZINC000152301141 402088061 /nfs/dbraw/zinc/08/80/61/402088061.db2.gz SKLIDBRRQIOWLS-SNVBAGLBSA-N 0 0 316.835 2.386 10 30 DEEERN C#CCCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)OC)C2)cc1 ZINC000123236850 402117740 /nfs/dbraw/zinc/11/77/40/402117740.db2.gz PQFVKCFDJOOKGZ-MRXNPFEDSA-N 0 0 301.386 2.474 10 30 DEEERN Cc1ccccc1[C@H](CC(=O)NC1(C#N)CCCC1)NC(N)=O ZINC000124798785 402197984 /nfs/dbraw/zinc/19/79/84/402197984.db2.gz MNMSZOLMIAFOMB-AWEZNQCLSA-N 0 0 314.389 2.047 10 30 DEEERN CCN(CC#N)C(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000067687906 402167899 /nfs/dbraw/zinc/16/78/99/402167899.db2.gz SEYDUNBIBHHCKI-CQSZACIVSA-N 0 0 321.808 2.466 10 30 DEEERN C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CNC(=O)C1 ZINC000108981683 402265680 /nfs/dbraw/zinc/26/56/80/402265680.db2.gz MXDXEZUDIJAWGZ-GHMZBOCLSA-N 0 0 303.387 2.155 10 30 DEEERN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C#N ZINC000125736447 402247496 /nfs/dbraw/zinc/24/74/96/402247496.db2.gz LTEYBCUKPXJTJF-YDHLFZDLSA-N 0 0 317.389 2.356 10 30 DEEERN CC[C@@H]1CN(C(=O)c2ccc(C#N)cc2)CCN1CC(F)F ZINC000125788434 402250421 /nfs/dbraw/zinc/25/04/21/402250421.db2.gz DWMHUASTTOGJBV-CQSZACIVSA-N 0 0 307.344 2.360 10 30 DEEERN C=CCCOCCNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000155452027 402257778 /nfs/dbraw/zinc/25/77/78/402257778.db2.gz XOBHQZXVUVEPQO-CABCVRRESA-N 0 0 317.385 2.270 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C)n[nH]1 ZINC000068792492 402206115 /nfs/dbraw/zinc/20/61/15/402206115.db2.gz DLICMNTZRNPMKR-UHFFFAOYSA-N 0 0 300.318 2.455 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2C=CCCC2)cn1 ZINC000184584710 402280040 /nfs/dbraw/zinc/28/00/40/402280040.db2.gz UITRCRNTTHZERU-CYBMUJFWSA-N 0 0 308.345 2.369 10 30 DEEERN C[C@@H]1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000184645872 402287988 /nfs/dbraw/zinc/28/79/88/402287988.db2.gz LEEYXUBOTLSCLP-GFCCVEGCSA-N 0 0 310.361 2.403 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc2nc(OC)ccc2c1 ZINC000184809604 402301391 /nfs/dbraw/zinc/30/13/91/402301391.db2.gz QPPSYWXIESILGY-CYBMUJFWSA-N 0 0 301.346 2.302 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(Cc3cc(C#N)ccc3F)[C@@H]2C1 ZINC000158358554 402305053 /nfs/dbraw/zinc/30/50/53/402305053.db2.gz HULHNEDTHJHAJB-DJIMGWMZSA-N 0 0 304.365 2.466 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000185319994 402343367 /nfs/dbraw/zinc/34/33/67/402343367.db2.gz ZAERWOAGDGNCFX-CYBMUJFWSA-N 0 0 301.390 2.164 10 30 DEEERN COc1ccc(NC(C)=O)c(NC(=O)c2cc(C#N)cn2C)c1 ZINC000176867661 402344225 /nfs/dbraw/zinc/34/42/25/402344225.db2.gz LABQYOATCVJRMN-UHFFFAOYSA-N 0 0 312.329 2.116 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]2c2ccccc2)s1 ZINC000230338624 402350942 /nfs/dbraw/zinc/35/09/42/402350942.db2.gz YQCPLEXHPPQZCQ-STQMWFEESA-N 0 0 304.396 2.454 10 30 DEEERN Cc1nnc(N2CC[C@@H](C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000176955438 402354165 /nfs/dbraw/zinc/35/41/65/402354165.db2.gz WRXFSMJMSVDTPC-GFCCVEGCSA-N 0 0 302.378 2.133 10 30 DEEERN CC(C)C[C@H](C)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000185504609 402357413 /nfs/dbraw/zinc/35/74/13/402357413.db2.gz UWSPOBWIDHKPOM-UONOGXRCSA-N 0 0 315.421 2.068 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(F)ccc1Br ZINC000185719943 402371546 /nfs/dbraw/zinc/37/15/46/402371546.db2.gz UUAVGUWBBAUCHM-SECBINFHSA-N 0 0 302.143 2.255 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CSc1nccc2ccccc21 ZINC000185729950 402372758 /nfs/dbraw/zinc/37/27/58/402372758.db2.gz MOWNJGILBGJGRJ-ZDUSSCGKSA-N 0 0 302.399 2.380 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(Br)c(F)c1 ZINC000185911346 402388484 /nfs/dbraw/zinc/38/84/84/402388484.db2.gz HCZDOHATTBDXNX-VIFPVBQESA-N 0 0 302.143 2.255 10 30 DEEERN C=CC[C@H](CO)NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 ZINC000185761957 402374530 /nfs/dbraw/zinc/37/45/30/402374530.db2.gz XQCOXBSIYAMGDZ-NWDGAFQWSA-N 0 0 319.430 2.410 10 30 DEEERN CCN(CC#Cc1ccc(Cl)cc1)[C@H](C)CS(C)(=O)=O ZINC000177167462 402377917 /nfs/dbraw/zinc/37/79/17/402377917.db2.gz YYPHWRJGUYNUOK-CYBMUJFWSA-N 0 0 313.850 2.447 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000176757029 402334504 /nfs/dbraw/zinc/33/45/04/402334504.db2.gz PYYBMJHGFMSDBZ-UHFFFAOYSA-N 0 0 322.368 2.271 10 30 DEEERN COc1ccccc1-c1nn(C)cc1C(=O)N[C@H](C#N)C1CC1 ZINC000161679121 402395808 /nfs/dbraw/zinc/39/58/08/402395808.db2.gz SXXBBHUEPQUZPE-CQSZACIVSA-N 0 0 310.357 2.128 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](Cc1ccccc1OC)C(C)C ZINC000186382271 402426870 /nfs/dbraw/zinc/42/68/70/402426870.db2.gz VTRLITMZMVIVKX-CVEARBPZSA-N 0 0 320.433 2.499 10 30 DEEERN N#Cc1cccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000162654739 402427279 /nfs/dbraw/zinc/42/72/79/402427279.db2.gz SWFLPRIVZSJTGG-AEFFLSMTSA-N 0 0 313.401 2.395 10 30 DEEERN N#CC1(c2ccc(C(=O)N3CCC[C@@]34CCOC4=O)cc2)CC1 ZINC000186477134 402434438 /nfs/dbraw/zinc/43/44/38/402434438.db2.gz UDWZGIXDHAXYAL-SFHVURJKSA-N 0 0 310.353 2.163 10 30 DEEERN CCC1(CC)CN(C(=O)c2cccc(C#N)c2)CC[S@@]1=O ZINC000186717572 402459086 /nfs/dbraw/zinc/45/90/86/402459086.db2.gz IHKCQURNPSZANT-NRFANRHFSA-N 0 0 304.415 2.322 10 30 DEEERN CCC1(CC)[C@H](NC(=O)c2cc(C#N)cn2C)[C@@H](C)[C@H]1OC ZINC000245640456 402475793 /nfs/dbraw/zinc/47/57/93/402475793.db2.gz YLPUDKSFYKKGRR-KCPJHIHWSA-N 0 0 303.406 2.466 10 30 DEEERN Cn1ccnc1C[C@@H]1CCCN(C(=O)c2cc(C#N)cs2)C1 ZINC000178286066 402479684 /nfs/dbraw/zinc/47/96/84/402479684.db2.gz DPGRMFOKBXXGPG-LBPRGKRZSA-N 0 0 314.414 2.448 10 30 DEEERN Cn1cc([C@@H]2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)cn1 ZINC000187060418 402480323 /nfs/dbraw/zinc/48/03/23/402480323.db2.gz ALEFQMXSHFWOEH-OAHLLOKOSA-N 0 0 320.396 2.339 10 30 DEEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)C1 ZINC000247583684 402572963 /nfs/dbraw/zinc/57/29/63/402572963.db2.gz ZCQINYPRCWASJM-CDHAZOANSA-N 0 0 312.369 2.357 10 30 DEEERN Cc1cc(C)c2ncc(C#N)c(N3CC[N@H+](CCO)[C@H](C)C3)c2c1 ZINC000189400153 402536285 /nfs/dbraw/zinc/53/62/85/402536285.db2.gz SOPPIKNREUKBTK-OAHLLOKOSA-N 0 0 324.428 2.226 10 30 DEEERN CN1C(=O)C[C@@H](C(=O)NCCCCC#N)[C@H]1c1ccc(F)cc1 ZINC000179331604 402585110 /nfs/dbraw/zinc/58/51/10/402585110.db2.gz UTNIYASWPYIRJS-GDBMZVCRSA-N 0 0 317.364 2.155 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000180568558 402620463 /nfs/dbraw/zinc/62/04/63/402620463.db2.gz PTPCDIQVCSBKNO-GJZGRUSLSA-N 0 0 317.437 2.489 10 30 DEEERN N#C[C@@H](NC(=O)c1[nH]nc2ccc(Br)cc21)C1CC1 ZINC000171829497 402626338 /nfs/dbraw/zinc/62/63/38/402626338.db2.gz ZMLSQHVKCLWCQT-LLVKDONJSA-N 0 0 319.162 2.357 10 30 DEEERN C[C@@H]1CC(O)C[C@@H](C)N1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000191282243 402656887 /nfs/dbraw/zinc/65/68/87/402656887.db2.gz WHVRQVICLPZMQN-GHMZBOCLSA-N 0 0 321.808 2.384 10 30 DEEERN COc1ccc(Br)cc1CC(=O)NC[C@@H](C)C#N ZINC000173648230 402707035 /nfs/dbraw/zinc/70/70/35/402707035.db2.gz IWTHGTFVPDIJQS-VIFPVBQESA-N 0 0 311.179 2.276 10 30 DEEERN Cc1csc([C@@H]2CCCN(S(=O)(=O)CCCC#N)C2)n1 ZINC000173721277 402709994 /nfs/dbraw/zinc/70/99/94/402709994.db2.gz OJKJDSLLOWMNDS-GFCCVEGCSA-N 0 0 313.448 2.265 10 30 DEEERN Cc1cc(C)c(C#N)c(N2CCC(N(C)c3cccnn3)CC2)n1 ZINC000192164644 402715147 /nfs/dbraw/zinc/71/51/47/402715147.db2.gz SJEAZEWQXNXEPG-UHFFFAOYSA-N 0 0 322.416 2.465 10 30 DEEERN COc1ccc(C(=O)NCCOc2ccc(C#N)cc2)c(O)c1 ZINC000173894297 402717668 /nfs/dbraw/zinc/71/76/68/402717668.db2.gz IJWFNNCANJJENN-UHFFFAOYSA-N 0 0 312.325 2.081 10 30 DEEERN O=C1CSC(=S)N1N=Cc1ccc(OC(F)F)cc1 ZINC000254518099 402671228 /nfs/dbraw/zinc/67/12/28/402671228.db2.gz WYZASFHTHCPBJK-UHFFFAOYSA-N 0 0 302.327 2.482 10 30 DEEERN CC(=NNS(=O)(=O)c1ccc(C)c(C)c1)c1ccncc1 ZINC000254702854 402671379 /nfs/dbraw/zinc/67/13/79/402671379.db2.gz DTYUXVSZBMGYRX-UHFFFAOYSA-N 0 0 303.387 2.401 10 30 DEEERN C#CCCCNC(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000174121376 402727698 /nfs/dbraw/zinc/72/76/98/402727698.db2.gz FNPGQGPERPUOIQ-HNNXBMFYSA-N 0 0 315.417 2.377 10 30 DEEERN N#Cc1cc(C(=O)NCCCN2CCc3ccccc32)ccn1 ZINC000192554359 402736399 /nfs/dbraw/zinc/73/63/99/402736399.db2.gz PDQLTTJGMIBMMV-UHFFFAOYSA-N 0 0 306.369 2.136 10 30 DEEERN N#Cc1cc(C(=O)NCCCOCCc2ccccc2)ccn1 ZINC000192803748 402750875 /nfs/dbraw/zinc/75/08/75/402750875.db2.gz PMHAUBWOLXCJEW-UHFFFAOYSA-N 0 0 309.369 2.332 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](COCC(C)C)c1ccco1 ZINC000183280502 402753020 /nfs/dbraw/zinc/75/30/20/402753020.db2.gz LEMJBAQAFFNAKO-KGLIPLIRSA-N 0 0 310.394 2.230 10 30 DEEERN N#C[C@H](NC(=O)c1ccn(-c2ccc(F)cc2F)n1)C1CC1 ZINC000183686770 402788771 /nfs/dbraw/zinc/78/87/71/402788771.db2.gz OIDLSUKETBMUEI-ZDUSSCGKSA-N 0 0 302.284 2.182 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000175286789 402794201 /nfs/dbraw/zinc/79/42/01/402794201.db2.gz UEPYYWNLVXSFML-QGZVFWFLSA-N 0 0 323.396 2.371 10 30 DEEERN N#Cc1cccc(C#N)c1N[C@@H]1CCCN(c2ncccn2)C1 ZINC000195200966 402836710 /nfs/dbraw/zinc/83/67/10/402836710.db2.gz MLQLYHIFMUNGOH-OAHLLOKOSA-N 0 0 304.357 2.301 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cccc(NC(=O)NCC)c1C ZINC000279013119 402895267 /nfs/dbraw/zinc/89/52/67/402895267.db2.gz OSNWGOWGQCVKBI-GFCCVEGCSA-N 0 0 320.393 2.195 10 30 DEEERN CCOC(=O)C1(O)CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000266774227 402990440 /nfs/dbraw/zinc/99/04/40/402990440.db2.gz ZADCEHQONTVSKD-UHFFFAOYSA-N 0 0 308.765 2.106 10 30 DEEERN C=C(C)CS(=O)(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000280637989 403021844 /nfs/dbraw/zinc/02/18/44/403021844.db2.gz UOOOYQOEMMFWHB-CQSZACIVSA-N 0 0 324.446 2.017 10 30 DEEERN C=CCN1CC[C@H](Sc2nnc(C(F)(F)F)s2)C1=O ZINC000281102847 403058760 /nfs/dbraw/zinc/05/87/60/403058760.db2.gz YKXRBRRQWPPRKV-LURJTMIESA-N 0 0 309.338 2.436 10 30 DEEERN C=CCN1CC[C@H](N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000281964053 403108930 /nfs/dbraw/zinc/10/89/30/403108930.db2.gz KQFFVGQZFIOPRD-DOMZBBRYSA-N 0 0 303.362 2.375 10 30 DEEERN C=C(Cn1cc(C(=O)OCC)c(C(F)(F)F)n1)C(=O)OCC ZINC000276411762 403172361 /nfs/dbraw/zinc/17/23/61/403172361.db2.gz BATXZSOLOYNVKE-UHFFFAOYSA-N 0 0 320.267 2.198 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1CC[C@@H](Oc2ccccn2)C1 ZINC000282511586 403156277 /nfs/dbraw/zinc/15/62/77/403156277.db2.gz FSAOSCLXHDLGLH-CQSZACIVSA-N 0 0 311.389 2.394 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000277391676 403213058 /nfs/dbraw/zinc/21/30/58/403213058.db2.gz IKUTWRGWYZBCAR-UHFFFAOYSA-N 0 0 310.397 2.120 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCN(c2ccccc2OCC)CC1 ZINC000277605318 403236039 /nfs/dbraw/zinc/23/60/39/403236039.db2.gz XVBLNPOVOXJWAL-UHFFFAOYSA-N 0 0 324.424 2.397 10 30 DEEERN C=C(C)[C@@H](CC(=O)N(C)Cc1nc([C@H](C)OC)no1)OCC ZINC000270201808 403179614 /nfs/dbraw/zinc/17/96/14/403179614.db2.gz QHAITTVDIJDUPX-NWDGAFQWSA-N 0 0 311.382 2.107 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](O)CC1 ZINC000298030006 403306310 /nfs/dbraw/zinc/30/63/10/403306310.db2.gz QQONDOQLLXEMER-IAGOWNOFSA-N 0 0 300.402 2.177 10 30 DEEERN C=C[C@H](CC(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccccc1 ZINC000342699953 403313895 /nfs/dbraw/zinc/31/38/95/403313895.db2.gz PTKQZQYBJYBONP-UONOGXRCSA-N 0 0 321.442 2.428 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCc1csc(C(C)C)n1 ZINC000285748128 403371427 /nfs/dbraw/zinc/37/14/27/403371427.db2.gz CPPMLXSMMUHDCT-UHFFFAOYSA-N 0 0 323.462 2.350 10 30 DEEERN C=CCCCCCCNS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000286697851 403542554 /nfs/dbraw/zinc/54/25/54/403542554.db2.gz MDOCQAWVTHUGDW-UHFFFAOYSA-N 0 0 324.446 2.461 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1cccc(C(=O)NCCC)c1 ZINC000286974881 403550654 /nfs/dbraw/zinc/55/06/54/403550654.db2.gz AOXNLGAXKODEKT-UHFFFAOYSA-N 0 0 310.397 2.105 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1nc(C)c(C(=O)OCC)s1 ZINC000286987012 403550783 /nfs/dbraw/zinc/55/07/83/403550783.db2.gz GDSRUXQRQXSEKP-UHFFFAOYSA-N 0 0 304.371 2.230 10 30 DEEERN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(C#N)cc1 ZINC000287065863 403553651 /nfs/dbraw/zinc/55/36/51/403553651.db2.gz WBKBRKHUEUOIDB-IXDOHACOSA-N 0 0 314.385 2.214 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N(C)[C@H]1C[C@@H](OC)C1 ZINC000287264294 403562909 /nfs/dbraw/zinc/56/29/09/403562909.db2.gz UQTFYQBDQWMCKY-BETUJISGSA-N 0 0 306.337 2.479 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCCCc1c[nH]nn1 ZINC000287292107 403568943 /nfs/dbraw/zinc/56/89/43/403568943.db2.gz LCBOLTUNHUNCBZ-MRXNPFEDSA-N 0 0 310.401 2.268 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](C)[C@H]1C ZINC000287366079 403583872 /nfs/dbraw/zinc/58/38/72/403583872.db2.gz MCRWVVACVNXDSD-HLLBOEOZSA-N 0 0 300.402 2.440 10 30 DEEERN CNS(=O)(=O)c1ccccc1CNc1ccc(F)cc1C#N ZINC000301387294 403622453 /nfs/dbraw/zinc/62/24/53/403622453.db2.gz DDPCYVVCSXJWRC-UHFFFAOYSA-N 0 0 319.361 2.218 10 30 DEEERN CN(CC(F)(F)F)C(=O)CNc1c(F)c(F)nc(F)c1F ZINC000301617227 403654358 /nfs/dbraw/zinc/65/43/58/403654358.db2.gz WDBVKDLIJAEPSP-UHFFFAOYSA-N 0 0 319.180 2.071 10 30 DEEERN C=CC[C@@H](CO)Nc1ccccc1S(=O)(=O)C(F)(F)F ZINC000302129079 403708064 /nfs/dbraw/zinc/70/80/64/403708064.db2.gz JOHUSLAYHDKACG-VIFPVBQESA-N 0 0 309.309 2.329 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C)(CO)CC1 ZINC000288050949 403715544 /nfs/dbraw/zinc/71/55/44/403715544.db2.gz FHKNZGPRZBRQFA-QGZVFWFLSA-N 0 0 314.429 2.425 10 30 DEEERN C#CCNC(=O)CNc1ccnc2c(Br)cccc12 ZINC000302770766 403724038 /nfs/dbraw/zinc/72/40/38/403724038.db2.gz ZVDRCKUTPDGQJI-UHFFFAOYSA-N 0 0 318.174 2.159 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCCO[C@@H](C)C1 ZINC000288288605 403745443 /nfs/dbraw/zinc/74/54/43/403745443.db2.gz VRYRHTMLFSXTRG-RDJZCZTQSA-N 0 0 300.402 2.441 10 30 DEEERN C#CCCCC(=O)Nc1cccc(N2C(=O)N[C@H](C)C2=O)c1C ZINC000288434179 403754701 /nfs/dbraw/zinc/75/47/01/403754701.db2.gz LDVINKBUSDESDW-GFCCVEGCSA-N 0 0 313.357 2.182 10 30 DEEERN C=CCOc1ccccc1CNS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000303462811 403755272 /nfs/dbraw/zinc/75/52/72/403755272.db2.gz LXGGTBLTYTZHGL-CQSZACIVSA-N 0 0 324.446 2.318 10 30 DEEERN C#CCC(CC#C)C(=O)N1CC[C@](C(=O)OCC)(C(C)C)C1 ZINC000288482823 403756082 /nfs/dbraw/zinc/75/60/82/403756082.db2.gz QCXWUOGQCGYLEF-GOSISDBHSA-N 0 0 303.402 2.087 10 30 DEEERN C#Cc1ccc(CNC(=O)[C@H]2CCCN(C(=O)CCC)C2)cc1 ZINC000295368350 403885371 /nfs/dbraw/zinc/88/53/71/403885371.db2.gz GFRMIBUGHGPDSC-KRWDZBQOSA-N 0 0 312.413 2.323 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1cc(Br)ccn1 ZINC000295499798 403960051 /nfs/dbraw/zinc/96/00/51/403960051.db2.gz DLUOZFMCRBRJLE-UHFFFAOYSA-N 0 0 305.175 2.123 10 30 DEEERN C=CCSc1ccccc1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000362398958 403952561 /nfs/dbraw/zinc/95/25/61/403952561.db2.gz YBYSLTVSYMIIEM-GFCCVEGCSA-N 0 0 304.415 2.315 10 30 DEEERN C=CCn1c(Cc2ccccc2F)nnc1N1CCOC[C@@H]1C ZINC000289683700 403993113 /nfs/dbraw/zinc/99/31/13/403993113.db2.gz NJTHGYMQBSIKPW-ZDUSSCGKSA-N 0 0 316.380 2.419 10 30 DEEERN C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCOC[C@H]1C ZINC000289718957 403995009 /nfs/dbraw/zinc/99/50/09/403995009.db2.gz PIFWITUYMSPZTK-CYBMUJFWSA-N 0 0 316.380 2.419 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)cc1 ZINC000344276049 404025201 /nfs/dbraw/zinc/02/52/01/404025201.db2.gz ZMXJISHBPFUCTQ-MRXNPFEDSA-N 0 0 315.369 2.072 10 30 DEEERN C=C[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000362587781 403969342 /nfs/dbraw/zinc/96/93/42/403969342.db2.gz MZNSXJPXBQGEOJ-ZDUSSCGKSA-N 0 0 324.446 2.169 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N(Cc2ccc(C(F)F)cc2)C1=O ZINC000348573605 404081071 /nfs/dbraw/zinc/08/10/71/404081071.db2.gz NLUVETOBEXMWFA-LBPRGKRZSA-N 0 0 310.300 2.247 10 30 DEEERN C=C(C)COCCN1C(=O)N[C@H](Cc2cccc(Cl)c2)C1=O ZINC000348589687 404081460 /nfs/dbraw/zinc/08/14/60/404081460.db2.gz GBWCYVXGGSDOJB-CQSZACIVSA-N 0 0 322.792 2.396 10 30 DEEERN Cc1ccc(C(C)(C)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000363080217 404065399 /nfs/dbraw/zinc/06/53/99/404065399.db2.gz XCQRHEKBYSVMOZ-QGZVFWFLSA-N 0 0 311.429 2.471 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)c3ccoc3C)C2)n1 ZINC000328609305 404113533 /nfs/dbraw/zinc/11/35/33/404113533.db2.gz CSYVPSHITABTTP-LBPRGKRZSA-N 0 0 302.334 2.480 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)c3ccoc3C)C2)n1 ZINC000328609303 404113960 /nfs/dbraw/zinc/11/39/60/404113960.db2.gz CSYVPSHITABTTP-GFCCVEGCSA-N 0 0 302.334 2.480 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N[C@@H](CC(=O)OCC)c1ccccc1C ZINC000290296847 404115108 /nfs/dbraw/zinc/11/51/08/404115108.db2.gz IAOUVKXPWIGKCW-MAUKXSAKSA-N 0 0 319.401 2.433 10 30 DEEERN CCc1nsc(N2CC[C@H](n3ccc(NC(C)=O)n3)C2)n1 ZINC000328615154 404115174 /nfs/dbraw/zinc/11/51/74/404115174.db2.gz XWEQVCHHGHSMLN-JTQLQIEISA-N 0 0 306.395 2.356 10 30 DEEERN Cc1c([C@H]2OCC[C@@H]2NC(=O)Nc2ccc(F)cn2)cnn1C ZINC000328628369 404120475 /nfs/dbraw/zinc/12/04/75/404120475.db2.gz NRLPXTUCFFKQNO-GXTWGEPZSA-N 0 0 319.340 2.119 10 30 DEEERN C[C@H](CNC(=O)C[C@@H]1CCCCNC1=O)CN1CCOCC1 ZINC000328775221 404147263 /nfs/dbraw/zinc/14/72/63/404147263.db2.gz CDNPVXHAMROFOX-KGLIPLIRSA-N 0 0 311.426 2.058 10 30 DEEERN C=CCN(C(=O)c1ncoc1C)c1nc(C(=O)OCC)cs1 ZINC000355095540 404213601 /nfs/dbraw/zinc/21/36/01/404213601.db2.gz QHBRHNQYFYTTNA-UHFFFAOYSA-N 0 0 321.358 2.449 10 30 DEEERN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)[C@H]1CCc2n[nH]nc2C1 ZINC000328996935 404195278 /nfs/dbraw/zinc/19/52/78/404195278.db2.gz WOGJYEVBEFNGFR-LNSITVRQSA-N 0 0 314.393 2.247 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CCC(C)(C)CC1 ZINC000352315920 404284738 /nfs/dbraw/zinc/28/47/38/404284738.db2.gz QKVJFFRZCPONLX-ZFWWWQNUSA-N 0 0 322.449 2.169 10 30 DEEERN C=CCN1CC[C@H](N(C)Cc2ccc3c(c2)OC(F)(F)O3)C1=O ZINC000352403744 404345470 /nfs/dbraw/zinc/34/54/70/404345470.db2.gz XHSSIIMLRYBPSH-LBPRGKRZSA-N 0 0 324.327 2.227 10 30 DEEERN C#Cc1ccc(CNC(=O)NCCC(OCC)OCC)cc1 ZINC000296693124 404316100 /nfs/dbraw/zinc/31/61/00/404316100.db2.gz DHYIJOOOUSOFIJ-UHFFFAOYSA-N 0 0 304.390 2.256 10 30 DEEERN C=CCN(CCOC)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000350093696 404318874 /nfs/dbraw/zinc/31/88/74/404318874.db2.gz GOOIIQMTYFKUNX-UHFFFAOYSA-N 0 0 317.349 2.029 10 30 DEEERN COc1ccc2c(c1)OC[C@H](NC(=O)[C@@H]1[C@@H]3CCCO[C@H]13)C2 ZINC000329530548 404366270 /nfs/dbraw/zinc/36/62/70/404366270.db2.gz VTLRLZVZOFVVDH-JMGFVUJMSA-N 0 0 303.358 2.380 10 30 DEEERN C[C@H](C(=O)NC1CCCCC1)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000329558680 404376233 /nfs/dbraw/zinc/37/62/33/404376233.db2.gz ICYAUGIRLSGKTI-OLZOCXBDSA-N 0 0 316.467 2.031 10 30 DEEERN C=CCSCCNC(=O)N[C@H](C)c1nnc2n1CCCCC2 ZINC000352456805 404383878 /nfs/dbraw/zinc/38/38/78/404383878.db2.gz AYOBJGJURZUJEH-GFCCVEGCSA-N 0 0 323.466 2.284 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C ZINC000291456143 404386117 /nfs/dbraw/zinc/38/61/17/404386117.db2.gz CZNHCGZGOMMDNY-JTQLQIEISA-N 0 0 303.362 2.123 10 30 DEEERN C#CCOc1ccc(CNC(=O)N2CC[C@@H](C)[C@H](OC)C2)cc1 ZINC000296957168 404387834 /nfs/dbraw/zinc/38/78/34/404387834.db2.gz HTSDDHWMRRSOFC-RHSMWYFYSA-N 0 0 316.401 2.265 10 30 DEEERN Cn1cc(NC(=O)N2CCC(c3c[nH]cn3)CC2)c(C2CC2)n1 ZINC000329629937 404400060 /nfs/dbraw/zinc/40/00/60/404400060.db2.gz QOFHSSXISGIOQR-UHFFFAOYSA-N 0 0 314.393 2.446 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000291499117 404404897 /nfs/dbraw/zinc/40/48/97/404404897.db2.gz HGYZVYMZYMVPPI-KSSFIOAISA-N 0 0 317.433 2.253 10 30 DEEERN CCC(=O)N1CC[C@H](NC(=O)N2CC3(CCC3)[C@H]2C2CC2)C1 ZINC000329642353 404406700 /nfs/dbraw/zinc/40/67/00/404406700.db2.gz HYIZNWNZGWIHKO-DZGCQCFKSA-N 0 0 305.422 2.176 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000342208100 404443076 /nfs/dbraw/zinc/44/30/76/404443076.db2.gz LKSFIXWROJKCCU-NSHDSACASA-N 0 0 303.337 2.130 10 30 DEEERN C=C(C)CN(CC)c1nnc([C@H]2COCCO2)n1CC(C)C ZINC000291620047 404450852 /nfs/dbraw/zinc/45/08/52/404450852.db2.gz RSBFDTGXGRPHAN-CQSZACIVSA-N 0 0 308.426 2.424 10 30 DEEERN C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2CCC[C@@H]21 ZINC000350729882 404452225 /nfs/dbraw/zinc/45/22/25/404452225.db2.gz OHOLAXARYDFTID-OCCSQVGLSA-N 0 0 317.437 2.371 10 30 DEEERN C[C@@H]1CC(CNC(=O)N2CCC[C@@H]2Cn2ccnc2)C[C@@H](C)O1 ZINC000329800007 404456655 /nfs/dbraw/zinc/45/66/55/404456655.db2.gz ICTSUXBWFAJSAA-IIAWOOMASA-N 0 0 320.437 2.465 10 30 DEEERN C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@H]2CCC[C@@H]21 ZINC000351171687 404525860 /nfs/dbraw/zinc/52/58/60/404525860.db2.gz TYLQIJVAVAMWKA-MJBXVCDLSA-N 0 0 306.410 2.177 10 30 DEEERN C[C@](O)(CNC(=O)N[C@@H]1CCO[C@@H]1C1CC1)C1CCCCC1 ZINC000330024053 404530524 /nfs/dbraw/zinc/53/05/24/404530524.db2.gz ABBZYECEPZSGCJ-INMHGKMJSA-N 0 0 310.438 2.389 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000330166708 404570177 /nfs/dbraw/zinc/57/01/77/404570177.db2.gz VIERSSRTDALNMC-RRCSTGOVSA-N 0 0 319.405 2.412 10 30 DEEERN C=C(C)CN(C)C(=O)c1nc2ccc(Br)cn2n1 ZINC000414407270 404617983 /nfs/dbraw/zinc/61/79/83/404617983.db2.gz WXNGYBGKDFAURJ-UHFFFAOYSA-N 0 0 309.167 2.140 10 30 DEEERN O=C(N[C@@H]1CCc2ccccc2C1)N[C@H]1CCn2ccnc2C1 ZINC000330313598 404622943 /nfs/dbraw/zinc/62/29/43/404622943.db2.gz XHWQVYUJXRIKJR-CVEARBPZSA-N 0 0 310.401 2.259 10 30 DEEERN Cc1occc1C(=O)NC1CCN(C(=O)CC(C)(C)C#N)CC1 ZINC000365830775 404728323 /nfs/dbraw/zinc/72/83/23/404728323.db2.gz MBRYGXSAOLGGQH-UHFFFAOYSA-N 0 0 317.389 2.249 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000375721173 404734208 /nfs/dbraw/zinc/73/42/08/404734208.db2.gz USLQIZGRGBOYSC-QCODTGAPSA-N 0 0 305.418 2.432 10 30 DEEERN Cc1nc(Cl)ccc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000366122712 404760354 /nfs/dbraw/zinc/76/03/54/404760354.db2.gz BWWGDULMFIRARS-LBPRGKRZSA-N 0 0 319.796 2.248 10 30 DEEERN C=C(CNC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O)c1ccccc1 ZINC000358589428 404767797 /nfs/dbraw/zinc/76/77/97/404767797.db2.gz MNUQZZGMOTZLKG-JKSUJKDBSA-N 0 0 315.417 2.433 10 30 DEEERN CCCC(=O)N1CCC[C@H](C(=O)N2CCC(C)(C#N)CC2)C1 ZINC000356970554 404722902 /nfs/dbraw/zinc/72/29/02/404722902.db2.gz JCKVOXTWHWDVOV-AWEZNQCLSA-N 0 0 305.422 2.177 10 30 DEEERN C=CCN(CCC#N)C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000359394007 404792320 /nfs/dbraw/zinc/79/23/20/404792320.db2.gz RWKXETJVRNERDD-GJZGRUSLSA-N 0 0 312.369 2.490 10 30 DEEERN CCOCc1nc([C@@H](C)NC(=O)NCC(C)(C)CCC#N)no1 ZINC000359739982 404803416 /nfs/dbraw/zinc/80/34/16/404803416.db2.gz OYONVIYWCNEXLY-LLVKDONJSA-N 0 0 323.397 2.296 10 30 DEEERN C=CCCCCNC(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000353333748 404805049 /nfs/dbraw/zinc/80/50/49/404805049.db2.gz HXRXWZFNRQUYRG-AWEZNQCLSA-N 0 0 321.396 2.125 10 30 DEEERN CCOCc1nc([C@@H](C)NC(=O)N2CCC(C)(C#N)CC2)no1 ZINC000360435131 404828238 /nfs/dbraw/zinc/82/82/38/404828238.db2.gz BXZAIQRKBRINKW-LLVKDONJSA-N 0 0 321.381 2.002 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000360557199 404831143 /nfs/dbraw/zinc/83/11/43/404831143.db2.gz RTANQYNSWOLXFM-RDJZCZTQSA-N 0 0 319.401 2.274 10 30 DEEERN CN1CCN(c2nccnc2C#N)C[C@@H]1c1ccccc1Cl ZINC000377138015 404833417 /nfs/dbraw/zinc/83/34/17/404833417.db2.gz CBHQUHHFZKYCTK-OAHLLOKOSA-N 0 0 313.792 2.495 10 30 DEEERN C=CCOC[C@@H](NC(=O)c1ccc(CCC)cc1)C(=O)OC ZINC000360726464 404835508 /nfs/dbraw/zinc/83/55/08/404835508.db2.gz QVIOWZILWNMRKB-OAHLLOKOSA-N 0 0 305.374 2.113 10 30 DEEERN C=CCCN(C)C(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000435318654 404969829 /nfs/dbraw/zinc/96/98/29/404969829.db2.gz HEODVKWGJKSEEB-JTQLQIEISA-N 0 0 307.419 2.241 10 30 DEEERN CC#CCCOc1ccc(Cl)cc1S(=O)(=O)N(C)C ZINC000434643581 404918008 /nfs/dbraw/zinc/91/80/08/404918008.db2.gz BOYJVMGYXVGVOS-UHFFFAOYSA-N 0 0 301.795 2.383 10 30 DEEERN C=CCOCCNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000361105678 404920162 /nfs/dbraw/zinc/92/01/62/404920162.db2.gz MMGINSHNNIKOLJ-AWEZNQCLSA-N 0 0 321.396 2.154 10 30 DEEERN Cc1cc(C[C@@H](C)NC(=O)C2(c3cccc(C#N)c3)CC2)[nH]n1 ZINC000435341583 404971128 /nfs/dbraw/zinc/97/11/28/404971128.db2.gz ZFLHDEZBVSLNRI-GFCCVEGCSA-N 0 0 308.385 2.369 10 30 DEEERN N#Cc1ccnc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000436017779 405037046 /nfs/dbraw/zinc/03/70/46/405037046.db2.gz ZTDQDKSORZCHHW-UHFFFAOYSA-N 0 0 312.285 2.269 10 30 DEEERN Cc1cc(C#N)nc(N[C@H]2CCCN(Cc3ccccc3)C2=O)n1 ZINC000367338862 405017389 /nfs/dbraw/zinc/01/73/89/405017389.db2.gz GFOPCXNDVHSCSH-INIZCTEOSA-N 0 0 321.384 2.260 10 30 DEEERN Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1cc(C#N)ccn1 ZINC000435995038 405034925 /nfs/dbraw/zinc/03/49/25/405034925.db2.gz LSGBRADKVLOAOY-UHFFFAOYSA-N 0 0 324.369 2.371 10 30 DEEERN CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1ccc(C#N)n1C ZINC000451435538 404995589 /nfs/dbraw/zinc/99/55/89/404995589.db2.gz QPMJEFWKDDVMRR-KRWDZBQOSA-N 0 0 317.389 2.235 10 30 DEEERN Cc1cc(C#N)nc(N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)n1 ZINC000367425781 405044817 /nfs/dbraw/zinc/04/48/17/405044817.db2.gz IFOYBPBZGCULGC-IUODEOHRSA-N 0 0 307.357 2.263 10 30 DEEERN C=CCN1CC[C@H](Nc2cccc(N(C)C(=O)NCC)c2)C1=O ZINC000354160910 405074605 /nfs/dbraw/zinc/07/46/05/405074605.db2.gz DFGUXKJPYWAXDM-HNNXBMFYSA-N 0 0 316.405 2.051 10 30 DEEERN C[C@@H]1CC[S@@](=O)CCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000407953819 405075519 /nfs/dbraw/zinc/07/55/19/405075519.db2.gz MTFMSNXWLTUNHJ-AOUSDQRYSA-N 0 0 317.336 2.319 10 30 DEEERN Cc1ccc(N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)nc1C#N ZINC000408033376 405093391 /nfs/dbraw/zinc/09/33/91/405093391.db2.gz LIJKLHAXFGZJGY-LXZKKBNFSA-N 0 0 301.390 2.018 10 30 DEEERN C=CCC1(C(=O)Nc2ccc(NC(N)=O)cc2)CCOCC1 ZINC000424554694 405114519 /nfs/dbraw/zinc/11/45/19/405114519.db2.gz FIWPNQSVQQCIGW-UHFFFAOYSA-N 0 0 303.362 2.489 10 30 DEEERN N#Cc1cc(Br)ccc1CN1CC(O)(C2CC2)C1 ZINC000367655671 405115485 /nfs/dbraw/zinc/11/54/85/405115485.db2.gz GLHKNCZMCUZECE-UHFFFAOYSA-N 0 0 307.191 2.277 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(C)cc(=O)[nH]1 ZINC000354282847 405138213 /nfs/dbraw/zinc/13/82/13/405138213.db2.gz PRPASELUWSZZHH-UHFFFAOYSA-N 0 0 316.357 2.399 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)CN(Cc2ccccc2)C1=O ZINC000424630346 405133249 /nfs/dbraw/zinc/13/32/49/405133249.db2.gz ZDMSTSOVBYRJGZ-GJZGRUSLSA-N 0 0 300.358 2.042 10 30 DEEERN C=CCCCCNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000354275438 405135647 /nfs/dbraw/zinc/13/56/47/405135647.db2.gz FIFMLWOVTDPGIS-UHFFFAOYSA-N 0 0 315.461 2.277 10 30 DEEERN C=CCCCN1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000367866554 405178215 /nfs/dbraw/zinc/17/82/15/405178215.db2.gz SBRPCVFHNFBQHK-GJZGRUSLSA-N 0 0 300.402 2.462 10 30 DEEERN C=CCOCCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000367932823 405195627 /nfs/dbraw/zinc/19/56/27/405195627.db2.gz URRCOBITSBREBI-LBPRGKRZSA-N 0 0 322.792 2.012 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCc1nc(C(C)(C)C)no1 ZINC000437464702 405200715 /nfs/dbraw/zinc/20/07/15/405200715.db2.gz CSGAWJOJFKEOJM-WFASDCNBSA-N 0 0 321.421 2.397 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCc2cccc(OC)c21 ZINC000424904701 405209597 /nfs/dbraw/zinc/20/95/97/405209597.db2.gz ADNCDIVLXWFWOA-KKUMJFAQSA-N 0 0 301.386 2.432 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)OCc1cccc(OC)c1 ZINC000424929598 405214315 /nfs/dbraw/zinc/21/43/15/405214315.db2.gz BWCZDPIZKBYSEC-QRTARXTBSA-N 0 0 319.401 2.308 10 30 DEEERN C=C(C)C(C)(C)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000424773412 405173986 /nfs/dbraw/zinc/17/39/86/405173986.db2.gz FZZQOVPPTMMNMD-UHFFFAOYSA-N 0 0 321.396 2.276 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@H]2CCCc3c(F)cccc32)C1=O ZINC000419965584 405275768 /nfs/dbraw/zinc/27/57/68/405275768.db2.gz KBQCHMTVTDBWBD-GJZGRUSLSA-N 0 0 318.348 2.326 10 30 DEEERN C=CC(C)(C)CNC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000452774497 405241101 /nfs/dbraw/zinc/24/11/01/405241101.db2.gz LREKSYABGBHVFG-UHFFFAOYSA-N 0 0 305.769 2.258 10 30 DEEERN C=CCCS(=O)(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC000425189355 405255273 /nfs/dbraw/zinc/25/52/73/405255273.db2.gz MHOMDHBXGKXEEK-CYBMUJFWSA-N 0 0 319.467 2.486 10 30 DEEERN C=CC[C@@H](CC)NC(=O)NC(C)(C)c1nocc1C(=O)OC ZINC000425755198 405318074 /nfs/dbraw/zinc/31/80/74/405318074.db2.gz JTICQHBUPVRIBY-SNVBAGLBSA-N 0 0 309.366 2.350 10 30 DEEERN C=C(C)CNC(=O)C(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000427031051 405386529 /nfs/dbraw/zinc/38/65/29/405386529.db2.gz XCGXDDMGBPIRMU-UHFFFAOYSA-N 0 0 306.410 2.293 10 30 DEEERN C=CCNC(=O)CNC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000427104979 405389530 /nfs/dbraw/zinc/38/95/30/405389530.db2.gz TXEUHSLQIGCAPC-UHFFFAOYSA-N 0 0 317.776 2.367 10 30 DEEERN C=CCC1(CNC(=O)N2CCN(C(C)=O)C[C@@H]2C)CCCC1 ZINC000455470614 405414607 /nfs/dbraw/zinc/41/46/07/405414607.db2.gz BXFZTJRXRDMZEU-AWEZNQCLSA-N 0 0 307.438 2.385 10 30 DEEERN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000427645977 405417138 /nfs/dbraw/zinc/41/71/38/405417138.db2.gz PEDLCGSWTRRBEC-MUJYYYPQSA-N 0 0 314.385 2.495 10 30 DEEERN C[C@@H](CNC(=O)c1ccc(C#N)n1C)N1CCc2ccccc21 ZINC000448682028 405435962 /nfs/dbraw/zinc/43/59/62/405435962.db2.gz PPOCASKYBRYHJG-ZDUSSCGKSA-N 0 0 308.385 2.078 10 30 DEEERN Cc1nn(C)cc1CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000448923098 405464465 /nfs/dbraw/zinc/46/44/65/405464465.db2.gz DVBJNJCRQLVSFJ-CQSZACIVSA-N 0 0 302.765 2.306 10 30 DEEERN CCOC(=O)C1(CNC(=O)NCC2CCC(C#N)CC2)CCC1 ZINC000577818627 405517665 /nfs/dbraw/zinc/51/76/65/405517665.db2.gz UNJKRMWIZXHFRP-UHFFFAOYSA-N 0 0 321.421 2.349 10 30 DEEERN C=CCN(CCOC)C(=O)C[C@@H](n1ccnc1)C(F)(F)F ZINC000635848838 405551266 /nfs/dbraw/zinc/55/12/66/405551266.db2.gz RUGNRQREVOEGAK-LLVKDONJSA-N 0 0 305.300 2.038 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@@](C)(CC)C1 ZINC000580453591 405622662 /nfs/dbraw/zinc/62/26/62/405622662.db2.gz NVBXLGYALQHDBK-XJKSGUPXSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCC[C@H](CO)NC(=O)NCCc1cccc2[nH]ccc21 ZINC000458749337 405570078 /nfs/dbraw/zinc/57/00/78/405570078.db2.gz SJLMNZAFKGYFBD-CQSZACIVSA-N 0 0 301.390 2.337 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCOC[C@H]1c1ccccc1 ZINC000580067392 405577014 /nfs/dbraw/zinc/57/70/14/405577014.db2.gz NDMPMXUYNZPNFL-ULQDDVLXSA-N 0 0 316.401 2.361 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1cc2c(cc(OC)cc2OC)[nH]1 ZINC000633357666 405592425 /nfs/dbraw/zinc/59/24/25/405592425.db2.gz REFDGMZHKOLNPT-NSHDSACASA-N 0 0 318.373 2.242 10 30 DEEERN C=CC(C)(C)CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000458988900 405680066 /nfs/dbraw/zinc/68/00/66/405680066.db2.gz OKSYYKJOIOTIRQ-UONOGXRCSA-N 0 0 310.438 2.066 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1nccn1CC(F)(F)F ZINC000558689956 405690515 /nfs/dbraw/zinc/69/05/15/405690515.db2.gz YBMSZCPWIGPDFX-ZYHUDNBSSA-N 0 0 317.311 2.043 10 30 DEEERN C=CC(C)(C)C(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000457123043 405709907 /nfs/dbraw/zinc/70/99/07/405709907.db2.gz ICEXWGBMTJSNBD-NSHDSACASA-N 0 0 307.419 2.028 10 30 DEEERN C=C(CC)CNC(=O)NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000459093854 405742370 /nfs/dbraw/zinc/74/23/70/405742370.db2.gz OMHIIVYEBUCUOG-ZDUSSCGKSA-N 0 0 312.360 2.381 10 30 DEEERN C=C(C)COc1cccc(NC(=O)NC[C@@H](O)[C@H]2CCCO2)c1 ZINC000528966669 405745219 /nfs/dbraw/zinc/74/52/19/405745219.db2.gz MHSUXCITBJIIGP-HZPDHXFCSA-N 0 0 320.389 2.303 10 30 DEEERN C=CCC1(C(=O)N2CCO[C@@H](Cn3ccnn3)C2)CCCCC1 ZINC000636214824 405819277 /nfs/dbraw/zinc/81/92/77/405819277.db2.gz RTIJETBLPGMMPW-OAHLLOKOSA-N 0 0 318.421 2.032 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000633750287 405820167 /nfs/dbraw/zinc/82/01/67/405820167.db2.gz OXHLXRORWQSJFL-UKRRQHHQSA-N 0 0 315.772 2.346 10 30 DEEERN CCc1cccc(NC(=O)CNC(=O)Cc2cccc(C#N)c2)c1 ZINC000530914758 405879467 /nfs/dbraw/zinc/87/94/67/405879467.db2.gz KHDZZIBDORULDI-UHFFFAOYSA-N 0 0 321.380 2.418 10 30 DEEERN C=CCC(C)(C)CNC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000432951951 405841114 /nfs/dbraw/zinc/84/11/14/405841114.db2.gz VNPJPDDXOXTNGH-UHFFFAOYSA-N 0 0 300.366 2.386 10 30 DEEERN COCCCOC1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000530674388 405842441 /nfs/dbraw/zinc/84/24/41/405842441.db2.gz BBRLFRTXPCOSTH-UHFFFAOYSA-N 0 0 316.401 2.145 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C(C)(C)C)[nH]c1=O ZINC000633817604 405857399 /nfs/dbraw/zinc/85/73/99/405857399.db2.gz VHFAJIYIUJDBFR-OLZOCXBDSA-N 0 0 304.390 2.292 10 30 DEEERN C=CCCC(C)(C)CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000633964568 405933547 /nfs/dbraw/zinc/93/35/47/405933547.db2.gz DWPPHOGWFSSMIS-LBPRGKRZSA-N 0 0 318.483 2.059 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1sccc1-n1cnnn1 ZINC000633963665 405933752 /nfs/dbraw/zinc/93/37/52/405933752.db2.gz ONFHGMMUQNCZEM-UHFFFAOYSA-N 0 0 305.407 2.446 10 30 DEEERN C=CCOc1ccc(C(=O)NCC[C@H](O)C(F)F)cc1OC ZINC000633994635 405947314 /nfs/dbraw/zinc/94/73/14/405947314.db2.gz NWCLPCXMGHIALH-NSHDSACASA-N 0 0 315.316 2.006 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccn(C3CCCC3)n2)C1=O ZINC000630979564 405950074 /nfs/dbraw/zinc/95/00/74/405950074.db2.gz QTDUHJIRIVHDSY-AWEZNQCLSA-N 0 0 302.378 2.385 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@]2(C)OCCc3sccc32)C1=O ZINC000630980475 405950428 /nfs/dbraw/zinc/95/04/28/405950428.db2.gz AKBREKODSITBNX-WBMJQRKESA-N 0 0 320.414 2.423 10 30 DEEERN CCOC(=O)[C@](C)(CNc1ccncc1C#N)c1ccccc1 ZINC000561337517 405921967 /nfs/dbraw/zinc/92/19/67/405921967.db2.gz GMBIJUBNRDQOOU-GOSISDBHSA-N 0 0 309.369 2.308 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000434037113 406012545 /nfs/dbraw/zinc/01/25/45/406012545.db2.gz PDVXLYWIOQKVFV-YRGRVCCFSA-N 0 0 323.355 2.377 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1cc(C)ccc1OC ZINC000636575032 406015211 /nfs/dbraw/zinc/01/52/11/406015211.db2.gz SNGDVEUFFDYSIY-UHFFFAOYSA-N 0 0 318.417 2.338 10 30 DEEERN C[C@H]1CCN(C(=O)Cc2cccc(C#N)c2)C[C@@H]1n1ccnc1 ZINC000531581200 405981676 /nfs/dbraw/zinc/98/16/76/405981676.db2.gz UPVJWXMSFLHAOG-YOEHRIQHSA-N 0 0 308.385 2.407 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1cc(F)ccc1F ZINC000565947202 406084513 /nfs/dbraw/zinc/08/45/13/406084513.db2.gz SBDKFSFSFDQTRD-WFASDCNBSA-N 0 0 310.344 2.398 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000566141202 406086608 /nfs/dbraw/zinc/08/66/08/406086608.db2.gz RPDVCRJIZTZYHU-ZQDZILKHSA-N 0 0 310.438 2.469 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](CC)C1CCOCC1 ZINC000636810419 406087764 /nfs/dbraw/zinc/08/77/64/406087764.db2.gz DFOAHCLNJHPGRU-AWEZNQCLSA-N 0 0 310.438 2.026 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCC[C@H]1CCO[C@H](C)C1 ZINC000636811336 406088586 /nfs/dbraw/zinc/08/85/86/406088586.db2.gz UDPQEGJEYRWDRL-CABCVRRESA-N 0 0 324.465 2.416 10 30 DEEERN C=CCCOCCNC(=O)C(=O)NCC[C@@H]1CCCC1(C)C ZINC000636826312 406092455 /nfs/dbraw/zinc/09/24/55/406092455.db2.gz JHGHMEOOJWQFIA-AWEZNQCLSA-N 0 0 310.438 2.028 10 30 DEEERN C=CCN1C(=O)N=NC1SCc1cc(C(=O)OC)oc1C ZINC000532103618 406044974 /nfs/dbraw/zinc/04/49/74/406044974.db2.gz DKFICYKLVFSXLQ-UHFFFAOYSA-N 0 0 309.347 2.150 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1csc(CC)n1 ZINC000636686316 406054229 /nfs/dbraw/zinc/05/42/29/406054229.db2.gz DJUQRWNXSNLXGE-UHFFFAOYSA-N 0 0 309.435 2.040 10 30 DEEERN C=C[C@@H](Cc1nc(CCS(C)(=O)=O)no1)c1ccccc1 ZINC000632232059 406060751 /nfs/dbraw/zinc/06/07/51/406060751.db2.gz MRQSKEUGIQJPSD-LBPRGKRZSA-N 0 0 306.387 2.169 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1cc(C(C)C)no1 ZINC000636720507 406062509 /nfs/dbraw/zinc/06/25/09/406062509.db2.gz QQIKHMFUYNCPBQ-UHFFFAOYSA-N 0 0 307.394 2.133 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1ccc(OC)c(O)c1 ZINC000564889066 406068282 /nfs/dbraw/zinc/06/82/82/406068282.db2.gz QJTGMXAMSLDLGU-ZFWWWQNUSA-N 0 0 320.389 2.133 10 30 DEEERN C=CCCCCNC(=O)NC[C@@H]1c2ccccc2C(=O)N1C ZINC000637054677 406163874 /nfs/dbraw/zinc/16/38/74/406163874.db2.gz BQTPFSDBGPWZEL-OAHLLOKOSA-N 0 0 301.390 2.469 10 30 DEEERN C=CCn1c(C(C)C)nnc1N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000634342050 406107253 /nfs/dbraw/zinc/10/72/53/406107253.db2.gz XUTGPXNGZHTNIT-WDEREUQCSA-N 0 0 318.343 2.195 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000636881289 406111583 /nfs/dbraw/zinc/11/15/83/406111583.db2.gz AEKMVUWHIIPAPF-RRFJBIMHSA-N 0 0 322.449 2.169 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000634354640 406111772 /nfs/dbraw/zinc/11/17/72/406111772.db2.gz GXDCALKJEFZUHF-VXGBXAGGSA-N 0 0 306.328 2.258 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NC[C@H](C)c1c(C)noc1C ZINC000636891036 406114437 /nfs/dbraw/zinc/11/44/37/406114437.db2.gz YWJJAQCLRXPQGA-NSHDSACASA-N 0 0 321.421 2.230 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC[C@@H]1CCCOC1 ZINC000637039158 406157924 /nfs/dbraw/zinc/15/79/24/406157924.db2.gz VCWFWSXGQXELPX-XHSDSOJGSA-N 0 0 322.449 2.170 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(OC(C)C)nc2)C1 ZINC000632591324 406193016 /nfs/dbraw/zinc/19/30/16/406193016.db2.gz UDRBCRWSCYXOGJ-CYBMUJFWSA-N 0 0 310.419 2.456 10 30 DEEERN C=CCC(C)(C)CNC(=O)N1CCC(CCO)(CCO)CC1 ZINC000637170678 406198491 /nfs/dbraw/zinc/19/84/91/406198491.db2.gz QGCJJIWYOBESTE-UHFFFAOYSA-N 0 0 312.454 2.145 10 30 DEEERN CC(=O)c1ccc(F)cc1OC[C@@H](O)CC1(C#N)CCOCC1 ZINC000634647250 406205271 /nfs/dbraw/zinc/20/52/71/406205271.db2.gz UIEHHTGJJGPSSK-AWEZNQCLSA-N 0 0 321.348 2.478 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCC[C@@H]4C[C@@H]43)cc2C1=O ZINC000569077873 406224262 /nfs/dbraw/zinc/22/42/62/406224262.db2.gz QOOJKYYQNJCKMF-WPGHFRTFSA-N 0 0 324.380 2.387 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc(C)o1 ZINC000637238979 406224567 /nfs/dbraw/zinc/22/45/67/406224567.db2.gz JYQQCRJYJRPVIU-UKRRQHHQSA-N 0 0 304.390 2.455 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000569215898 406225144 /nfs/dbraw/zinc/22/51/44/406225144.db2.gz QWSDVNJJIWCIRL-WFASDCNBSA-N 0 0 317.389 2.228 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC2(CCOCC2)[C@H]1C(C)C ZINC000569234182 406225891 /nfs/dbraw/zinc/22/58/91/406225891.db2.gz URALSFJPITUUEU-HRCADAONSA-N 0 0 322.449 2.424 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000519761514 406248909 /nfs/dbraw/zinc/24/89/09/406248909.db2.gz DOSLGVQLBRUQDW-JONQDZQNSA-N 0 0 308.422 2.178 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)C1 ZINC000632770088 406256371 /nfs/dbraw/zinc/25/63/71/406256371.db2.gz LGXYHPARPAEMNH-CQSZACIVSA-N 0 0 302.422 2.170 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@@H](c1nccn1C)C(C)(C)CO ZINC000637323356 406259179 /nfs/dbraw/zinc/25/91/79/406259179.db2.gz GUWONZXTMDBVTJ-ZDUSSCGKSA-N 0 0 322.453 2.381 10 30 DEEERN C=CCn1c([C@H]2CCCS2)nnc1N(C)Cc1cnn(C)c1 ZINC000521609966 406357454 /nfs/dbraw/zinc/35/74/54/406357454.db2.gz TUGDZGCOEWLNSM-CYBMUJFWSA-N 0 0 318.450 2.402 10 30 DEEERN CC#CC[C@H](CO)NC(=O)N[C@H]1C[C@H](Sc2ccccc2)C1 ZINC000637705205 406398329 /nfs/dbraw/zinc/39/83/29/406398329.db2.gz LJKURPVTARWDOK-IIAWOOMASA-N 0 0 318.442 2.383 10 30 DEEERN O=C(NCC#Cc1ccccc1)NC[C@H](CO)c1ccccc1 ZINC000489396573 406402216 /nfs/dbraw/zinc/40/22/16/406402216.db2.gz WLMGRIJXVMHUFI-GOSISDBHSA-N 0 0 308.381 2.113 10 30 DEEERN C=CCCCCCN(C)C(=O)NC1CN(c2ccncn2)C1 ZINC000637714702 406402890 /nfs/dbraw/zinc/40/28/90/406402890.db2.gz MVVJXXYCXGWBRK-UHFFFAOYSA-N 0 0 303.410 2.053 10 30 DEEERN C=CCCCS(=O)(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000489546746 406416633 /nfs/dbraw/zinc/41/66/33/406416633.db2.gz DOFRTXWQIFUADJ-UHFFFAOYSA-N 0 0 306.387 2.326 10 30 DEEERN C=CCCCS(=O)(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000489702130 406426815 /nfs/dbraw/zinc/42/68/15/406426815.db2.gz WNDHJKNCQVWVHP-ZDUSSCGKSA-N 0 0 319.492 2.317 10 30 DEEERN COC(=O)COc1ccc(CN(C)c2ccncc2C#N)cc1 ZINC000548155620 406486877 /nfs/dbraw/zinc/48/68/77/406486877.db2.gz DGVHZVDSLASUGP-UHFFFAOYSA-N 0 0 311.341 2.141 10 30 DEEERN N#Cc1cnccc1NCc1cc2c(cc1OC(F)F)OCO2 ZINC000547835799 406452451 /nfs/dbraw/zinc/45/24/51/406452451.db2.gz YENBNJCSMRDYPR-UHFFFAOYSA-N 0 0 319.267 2.317 10 30 DEEERN C=CCCn1cc(C(=O)N2CCn3c(cc4ccccc43)C2)nn1 ZINC000571636896 406545484 /nfs/dbraw/zinc/54/54/84/406545484.db2.gz UGTSMQPHNLXHEE-UHFFFAOYSA-N 0 0 321.384 2.465 10 30 DEEERN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000548727004 406545962 /nfs/dbraw/zinc/54/59/62/406545962.db2.gz NNUKCSSQIWSBAM-OAHLLOKOSA-N 0 0 324.384 2.367 10 30 DEEERN CC(C)OC(=O)CC[C@H](C)NC(=O)Cc1cccc(C#N)c1 ZINC000525948199 406522198 /nfs/dbraw/zinc/52/21/98/406522198.db2.gz FUPJCZRKDWKDQR-ZDUSSCGKSA-N 0 0 302.374 2.337 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000571855812 406574390 /nfs/dbraw/zinc/57/43/90/406574390.db2.gz PYOWAPROQCRAPL-KFWWJZLASA-N 0 0 320.364 2.464 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2cnn(CC)c2nc1C ZINC000573359640 406771922 /nfs/dbraw/zinc/77/19/22/406771922.db2.gz ZGSXMSUWDNJAIR-WFASDCNBSA-N 0 0 314.389 2.081 10 30 DEEERN CC(C)[C@@H](CO)CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000553748929 406772397 /nfs/dbraw/zinc/77/23/97/406772397.db2.gz DWEFUUFNRIIEJC-NVXWUHKLSA-N 0 0 318.417 2.342 10 30 DEEERN C=CCn1cc(CNCc2cc(OCC)c(OC)cc2F)nn1 ZINC000527722409 406728952 /nfs/dbraw/zinc/72/89/52/406728952.db2.gz WBNYBDPMTYPXBB-UHFFFAOYSA-N 0 0 320.368 2.300 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC000574871478 406786710 /nfs/dbraw/zinc/78/67/10/406786710.db2.gz JQJOPHFOXDVOTH-ZJOBFFGXSA-N 0 0 310.438 2.423 10 30 DEEERN C=CCn1c(C)nnc1N1CCO[C@H](COc2ccccc2)C1 ZINC000554609766 406817774 /nfs/dbraw/zinc/81/77/74/406817774.db2.gz HBLNDDQKSRVFJK-INIZCTEOSA-N 0 0 314.389 2.057 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC000554611980 406817831 /nfs/dbraw/zinc/81/78/31/406817831.db2.gz SXJXYXIKQTYVJX-HUUCEWRRSA-N 0 0 320.437 2.424 10 30 DEEERN COC(=O)Cc1cc(OC(F)(F)F)c(C#N)cc1[N+](=O)[O-] ZINC000575395574 406808757 /nfs/dbraw/zinc/80/87/57/406808757.db2.gz HWJMTPRKASZCGE-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN CCOC(=O)Cc1c(OC(F)F)ccc(C#N)c1[N+](=O)[O-] ZINC000575387866 406809098 /nfs/dbraw/zinc/80/90/98/406809098.db2.gz MZEUQFMLYAWIAT-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN C[C@@H]1C(=O)Nc2cc(C(=O)NC3(C#N)CCCC3)ccc2N1C ZINC000267352724 287188640 /nfs/dbraw/zinc/18/86/40/287188640.db2.gz FPDCWZWWZUBMRH-LLVKDONJSA-N 0 0 312.373 2.030 10 30 DEEERN N#CCCN(C(=O)c1ccc(C#CCO)c(Cl)c1)C1CC1 ZINC000128797978 195991957 /nfs/dbraw/zinc/99/19/57/195991957.db2.gz NOWLTADICJDYJG-UHFFFAOYSA-N 0 0 302.761 2.202 10 30 DEEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(C(N)=O)cn1C ZINC000129199183 196028056 /nfs/dbraw/zinc/02/80/56/196028056.db2.gz LNKHWJKUTSGRMA-UHFFFAOYSA-N 0 0 324.384 2.046 10 30 DEEERN Cc1cccc(OC[C@@H](O)CNC(=O)c2ccc(C#N)cc2C)c1 ZINC000129311882 196037971 /nfs/dbraw/zinc/03/79/71/196037971.db2.gz YBRZYNJSKOCWFQ-INIZCTEOSA-N 0 0 324.380 2.345 10 30 DEEERN COc1ccc(CSc2nc(C)ns2)cc1C#CCO ZINC000130988962 196129604 /nfs/dbraw/zinc/12/96/04/196129604.db2.gz HKGCSIVPEOHHJR-UHFFFAOYSA-N 0 0 306.412 2.491 10 30 DEEERN Cc1cc(C#CCCO)cc(C(=O)NC[C@H]2CCCS2)c1 ZINC000131685313 196191429 /nfs/dbraw/zinc/19/14/29/196191429.db2.gz CQKPBTFTOWLQBE-MRXNPFEDSA-N 0 0 303.427 2.354 10 30 DEEERN N#Cc1c(F)cccc1S(=O)(=O)Nc1c(N)cccc1F ZINC000132322253 196244932 /nfs/dbraw/zinc/24/49/32/196244932.db2.gz UYTCYTUEDFQWSP-UHFFFAOYSA-N 0 0 309.297 2.219 10 30 DEEERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cccc(C#N)c1)CC2 ZINC000133955248 196348725 /nfs/dbraw/zinc/34/87/25/196348725.db2.gz SWWOKACZBJCUOF-CQSZACIVSA-N 0 0 309.373 2.018 10 30 DEEERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2cccc(CC#N)c2)C1 ZINC000171816699 224752673 /nfs/dbraw/zinc/75/26/73/224752673.db2.gz MTFQOQKSGMVGHT-MRXNPFEDSA-N 0 0 323.400 2.384 10 30 DEEERN CCn1cnnc1-c1cccc(NC(=O)c2cc(C#N)cn2C)c1 ZINC000176688904 224826942 /nfs/dbraw/zinc/82/69/42/224826942.db2.gz IJDQZEOHFHPTSB-UHFFFAOYSA-N 0 0 320.356 2.427 10 30 DEEERN Cc1ccnc2c1NC(=O)CN2C(=O)c1cccc(CC#N)c1 ZINC000180866227 224898311 /nfs/dbraw/zinc/89/83/11/224898311.db2.gz GFTFHVVYFXFCIZ-UHFFFAOYSA-N 0 0 306.325 2.055 10 30 DEEERN N#Cc1ccc(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)cc1O ZINC000188685797 225029999 /nfs/dbraw/zinc/02/99/99/225029999.db2.gz YQLASXBYZSCCMN-KRWDZBQOSA-N 0 0 324.336 2.183 10 30 DEEERN O=C(Nc1cc(F)ccc1-n1cccn1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000329807469 225931899 /nfs/dbraw/zinc/93/18/99/225931899.db2.gz ADXZSZPNLDDJEP-BETUJISGSA-N 0 0 316.336 2.420 10 30 DEEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000329750416 225925729 /nfs/dbraw/zinc/92/57/29/225925729.db2.gz ICKRSCDIIVGRBY-MZBWOGCUSA-N 0 0 322.449 2.483 10 30 DEEERN Cc1nn(-c2ccccc2)cc1CNC(=O)N[C@@H]1CCO[C@H]1C ZINC000329350208 225869610 /nfs/dbraw/zinc/86/96/10/225869610.db2.gz SWIURQRNGBHIJP-XJKSGUPXSA-N 0 0 314.389 2.362 10 30 DEEERN CCc1nnc(C)cc1C(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000329437480 225880930 /nfs/dbraw/zinc/88/09/30/225880930.db2.gz AGJLETBNVQPKSM-GFCCVEGCSA-N 0 0 304.394 2.053 10 30 DEEERN Cn1ccc(CCNC(=O)N2CCO[C@H](C3CCCCC3)C2)n1 ZINC000329599759 225901860 /nfs/dbraw/zinc/90/18/60/225901860.db2.gz WWVHJCJWNBUQNA-INIZCTEOSA-N 0 0 320.437 2.158 10 30 DEEERN N#C[C@@H]1CN(C(=O)/C=C/SCc2ccco2)CCN1C1CC1 ZINC000370327696 227050118 /nfs/dbraw/zinc/05/01/18/227050118.db2.gz WRXSHIMUXVGJGG-VZUFXWRPSA-N 0 0 317.414 2.225 10 30 DEEERN C[C@H](Cc1cccc(F)c1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000370991628 227061420 /nfs/dbraw/zinc/06/14/20/227061420.db2.gz LFJYVMPYKFVVEY-DYVFJYSZSA-N 0 0 315.392 2.203 10 30 DEEERN N#C[C@H]1CN(Cc2cnc([C@H]3CCCO3)s2)CCN1C1CC1 ZINC000371328157 227068832 /nfs/dbraw/zinc/06/88/32/227068832.db2.gz SLIDQSJWFGIJIL-DZGCQCFKSA-N 0 0 318.446 2.167 10 30 DEEERN N#CC1CCC(CNC(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC000374203745 227128867 /nfs/dbraw/zinc/12/88/67/227128867.db2.gz FJMCGJVMLJJSRB-VMBOVVBDSA-N 0 0 319.449 2.076 10 30 DEEERN Cn1nccc1[C@@H]1CCCCN1C(=O)NCC1(CC#N)CC1 ZINC000374261843 227129503 /nfs/dbraw/zinc/12/95/03/227129503.db2.gz HQCYTAUDYXZQAN-AWEZNQCLSA-N 0 0 301.394 2.351 10 30 DEEERN Cc1ccc(F)c(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 ZINC000377672948 227193959 /nfs/dbraw/zinc/19/39/59/227193959.db2.gz MWOPRXXGAIHLDG-ZDUSSCGKSA-N 0 0 302.353 2.338 10 30 DEEERN N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Br)o1 ZINC000408217504 227229782 /nfs/dbraw/zinc/22/97/82/227229782.db2.gz ZBJDGQXNMFLSJZ-HTQZYQBOSA-N 0 0 319.180 2.013 10 30 DEEERN Cc1ccc(N2CCC[C@@H](CNC(=O)C(C)C)C2)nc1C#N ZINC000302624708 230323021 /nfs/dbraw/zinc/32/30/21/230323021.db2.gz HTVHHRJQBKNHEZ-AWEZNQCLSA-N 0 0 300.406 2.250 10 30 DEEERN Cn1ccnc1C[C@@H](Nc1ccc(C#N)nn1)c1ccccc1 ZINC000611241161 422475020 /nfs/dbraw/zinc/47/50/20/422475020.db2.gz LZJYKJKRLQZHKB-OAHLLOKOSA-N 0 0 304.357 2.478 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000612508790 422483816 /nfs/dbraw/zinc/48/38/16/422483816.db2.gz VHGJIDDKBCTENC-CQSZACIVSA-N 0 0 306.410 2.339 10 30 DEEERN COCc1cncc(C(=O)Nc2nn(C(C)(C)C)cc2C#N)c1 ZINC000613185495 422488053 /nfs/dbraw/zinc/48/80/53/422488053.db2.gz OBUZVVAAGHKROM-UHFFFAOYSA-N 0 0 313.361 2.303 10 30 DEEERN N#Cc1ccc(NCC(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cc1 ZINC000619423508 422530422 /nfs/dbraw/zinc/53/04/22/422530422.db2.gz RQVDPPFFNAUGAE-CQSZACIVSA-N 0 0 311.345 2.183 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCO[C@](C)(C3CC3)C2)s1 ZINC000622136832 422538039 /nfs/dbraw/zinc/53/80/39/422538039.db2.gz VWLOXGVBOJQIQS-HNNXBMFYSA-N 0 0 307.419 2.382 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCO[C@@H](C(F)F)CC2)s1 ZINC000634743043 422608436 /nfs/dbraw/zinc/60/84/36/422608436.db2.gz HOUBVSOUWOIFQW-SECBINFHSA-N 0 0 317.361 2.237 10 30 DEEERN Cc1nc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)ccc1C#N ZINC000533841088 269996848 /nfs/dbraw/zinc/99/68/48/269996848.db2.gz SFDBORQUJHQSLF-UHFFFAOYSA-N 0 0 322.324 2.368 10 30 DEEERN C[C@@H]1C[C@H]1CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000358700400 424824497 /nfs/dbraw/zinc/82/44/97/424824497.db2.gz XMUSCNAUUYLITF-MNOVXSKESA-N 0 0 313.336 2.661 10 30 DEEERN N#Cc1cc(F)ccc1NC(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000548709849 424872305 /nfs/dbraw/zinc/87/23/05/424872305.db2.gz FSWFLGZQLMKQPE-CYBMUJFWSA-N 0 0 315.308 2.916 10 30 DEEERN C=C(C)Cn1c(Nc2ccn(C)n2)nnc1-c1scnc1C ZINC000567856665 424916496 /nfs/dbraw/zinc/91/64/96/424916496.db2.gz OREDQQNCBMTFAR-UHFFFAOYSA-N 0 0 315.406 2.763 10 30 DEEERN Cc1nc(N[C@H]2c3sccc3OC(C)(C)[C@@H]2O)ccc1C#N ZINC000334024248 424924993 /nfs/dbraw/zinc/92/49/93/424924993.db2.gz GCUPRFMSXQNRTN-DZGCQCFKSA-N 0 0 315.398 3.008 10 30 DEEERN C=CCC1(C(=O)Nc2cc(C3CCOCC3)[nH]n2)CCOCC1 ZINC000424681844 424993504 /nfs/dbraw/zinc/99/35/04/424993504.db2.gz DBIKLIGHVAMNEX-UHFFFAOYSA-N 0 0 319.405 2.615 10 30 DEEERN C=CCC(C)(C)CNC(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000455235881 425095383 /nfs/dbraw/zinc/09/53/83/425095383.db2.gz WOPYXRGEJBKHRE-UHFFFAOYSA-N 0 0 320.422 2.960 10 30 DEEERN C=CCNc1ncc(C(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)s1 ZINC000452609882 425087132 /nfs/dbraw/zinc/08/71/32/425087132.db2.gz ZVHDDJYSDYAWHK-ZHRONYKTSA-N 0 0 315.442 3.025 10 30 DEEERN Cc1ccc(-c2nc(NC(=O)Cc3cccc(C#N)c3)n[nH]2)o1 ZINC000531936722 268023153 /nfs/dbraw/zinc/02/31/53/268023153.db2.gz OMZCESFDHGILMT-UHFFFAOYSA-N 0 0 307.313 2.426 10 30 DEEERN N#Cc1ccc(CNC(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000175153462 268071544 /nfs/dbraw/zinc/07/15/44/268071544.db2.gz PUNQVWQHBNMZAK-UHFFFAOYSA-N 0 0 320.352 2.308 10 30 DEEERN CCc1nnc(NCCc2c(C)nn(C)c2C)c(C#N)c1CC ZINC000301612176 268823564 /nfs/dbraw/zinc/82/35/64/268823564.db2.gz FPKQLRLRYAJHTE-UHFFFAOYSA-N 0 0 312.421 2.478 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)NCCCCOCc1ccccc1 ZINC000358529172 275416312 /nfs/dbraw/zinc/41/63/12/275416312.db2.gz QBKHQTQSCFHWPX-UHFFFAOYSA-N 0 0 318.417 2.134 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(c3ncc(C)c(C)n3)C2)n1 ZINC000328610139 275800542 /nfs/dbraw/zinc/80/05/42/275800542.db2.gz GOJKPVCIRRCKJO-ZDUSSCGKSA-N 0 0 300.366 2.349 10 30 DEEERN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N1CCc2cncnc2C1 ZINC000330059467 275909342 /nfs/dbraw/zinc/90/93/42/275909342.db2.gz KYXVORCQAMKKSK-ZBFHGGJFSA-N 0 0 318.421 2.342 10 30 DEEERN CC(C)c1nc2c(n1C)CCN(C(=O)C#Cc1ccccc1)C2 ZINC000176292224 276065400 /nfs/dbraw/zinc/06/54/00/276065400.db2.gz UTQYLFVGXXZVHQ-UHFFFAOYSA-N 0 0 307.397 2.480 10 30 DEEERN C=C(CNC(=O)N[C@H]1CCCCC[C@@H]1C(N)=O)c1ccccc1 ZINC000358589417 276876516 /nfs/dbraw/zinc/87/65/16/276876516.db2.gz MNUQZZGMOTZLKG-HOTGVXAUSA-N 0 0 315.417 2.433 10 30 DEEERN C=CCCCS(=O)(=O)N1CC[C@H](C(=O)OC)c2ccccc21 ZINC000292176992 276884445 /nfs/dbraw/zinc/88/44/45/276884445.db2.gz DSDUDUFCICIRMT-AWEZNQCLSA-N 0 0 323.414 2.449 10 30 DEEERN CC(C)(C)[C@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C[C@H]1O ZINC000408150065 277258568 /nfs/dbraw/zinc/25/85/68/277258568.db2.gz UBNHSWGRRFEQGD-LSDHHAIUSA-N 0 0 321.465 2.058 10 30 DEEERN COc1ccc(OC)c2c1CN(c1ccncc1C#N)C[C@H]2O ZINC000375096105 277423915 /nfs/dbraw/zinc/42/39/15/277423915.db2.gz BFEVLCNCPWTEDQ-CQSZACIVSA-N 0 0 311.341 2.024 10 30 DEEERN C(#CCN1CCC[C@@H]1c1ncc[nH]1)CN1CCC[C@@H]1c1ncc[nH]1 ZINC000367457900 277713053 /nfs/dbraw/zinc/71/30/53/277713053.db2.gz IKEKZPRDKBXFHF-HZPDHXFCSA-N 0 0 324.432 2.110 10 30 DEEERN C=C(Br)CN1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000374474107 277761830 /nfs/dbraw/zinc/76/18/30/277761830.db2.gz VXXCZMAYNIRUCB-GFCCVEGCSA-N 0 0 314.227 2.319 10 30 DEEERN COc1ccc2c(c1)N(C(=O)c1ccnc(C#N)c1)C[C@@H](C)O2 ZINC000193368849 277969543 /nfs/dbraw/zinc/96/95/43/277969543.db2.gz OVUKDPSBOGUGQW-LLVKDONJSA-N 0 0 309.325 2.390 10 30 DEEERN CC(C)c1scnc1NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000329546302 278117627 /nfs/dbraw/zinc/11/76/27/278117627.db2.gz ICDQHIGKPGGWKE-NWDGAFQWSA-N 0 0 324.450 2.217 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCS[C@H]2COCC[C@@H]21 ZINC000133505687 280315902 /nfs/dbraw/zinc/31/59/02/280315902.db2.gz IRRAUMJROJGKKI-GJZGRUSLSA-N 0 0 302.399 2.213 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@@H]1COc2ccccc2C1=O ZINC000181553844 280316288 /nfs/dbraw/zinc/31/62/88/280316288.db2.gz MGOBYKRJAARKAG-OAHLLOKOSA-N 0 0 306.321 2.240 10 30 DEEERN CC1CCC(N2C[C@@H](C(=O)NC3(C#N)CCCC3)CC2=O)CC1 ZINC000066838530 281744803 /nfs/dbraw/zinc/74/48/03/281744803.db2.gz KPLXEGKEXLXGEP-SLTAFYQDSA-N 0 0 317.433 2.366 10 30 DEEERN C[C@@H]1OCC[C@@H]1S(=O)(=O)Oc1ccc(C#N)cc1Cl ZINC000184318028 288896819 /nfs/dbraw/zinc/89/68/19/288896819.db2.gz ZGWATSCBVJRRPS-UFBFGSQYSA-N 0 0 301.751 2.098 10 30 DEEERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)[C@@H]1CCCCO1 ZINC000329491437 297946440 /nfs/dbraw/zinc/94/64/40/297946440.db2.gz STUGSBTYSDPAFR-QSJFSLAZSA-N 0 0 310.438 2.485 10 30 DEEERN Cc1cc(C)c(C#N)c(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1 ZINC000373685604 301162147 /nfs/dbraw/zinc/16/21/47/301162147.db2.gz UPHJSWDCUANWPH-QGZVFWFLSA-N 0 0 301.390 2.344 10 30 DEEERN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1cc2n(n1)CCCO2 ZINC000329898173 303509605 /nfs/dbraw/zinc/50/96/05/303509605.db2.gz LXJJRLGOPWHFQY-TZMCWYRMSA-N 0 0 315.377 2.351 10 30 DEEERN O=C(N[C@@H]1CCCOc2ccccc21)N1CC(O)(C2CC2)C1 ZINC000330234134 303510208 /nfs/dbraw/zinc/51/02/08/303510208.db2.gz GHDLWLXQROQMRW-CQSZACIVSA-N 0 0 302.374 2.271 10 30 DEEERN C=C1CCN(CC(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000533419790 331524435 /nfs/dbraw/zinc/52/44/35/331524435.db2.gz QVXLMWBDICHYBA-UHFFFAOYSA-N 0 0 310.401 2.141 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc([S@@](C)=O)c1 ZINC000565595922 331734293 /nfs/dbraw/zinc/73/42/93/331734293.db2.gz KCBCMBGELSCRGD-YLTSQODRSA-N 0 0 308.403 2.137 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CC(C)(C)C[C@H]1C ZINC000569451082 332090018 /nfs/dbraw/zinc/09/00/18/332090018.db2.gz RGBNIKYZOJEGRO-LLVKDONJSA-N 0 0 315.425 2.193 10 30 DEEERN C=CCCCNC(=O)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000560039375 332305172 /nfs/dbraw/zinc/30/51/72/332305172.db2.gz NUJPYRWCOQGWMF-UHFFFAOYSA-N 0 0 307.438 2.387 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1cc(F)ccc1F ZINC000583391699 332383226 /nfs/dbraw/zinc/38/32/26/332383226.db2.gz DBCZMJXVYMNVOE-UHFFFAOYSA-N 0 0 310.344 2.444 10 30 DEEERN C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000027636202 332463536 /nfs/dbraw/zinc/46/35/36/332463536.db2.gz MZPFZLIUISCHPN-AWEZNQCLSA-N 0 0 314.410 2.391 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N(C)CC1CCCC1 ZINC000562790318 332626900 /nfs/dbraw/zinc/62/69/00/332626900.db2.gz PJIOOKPMWCJKQL-UHFFFAOYSA-N 0 0 315.425 2.194 10 30 DEEERN C=CCn1cc(CNC(=O)c2coc(C3CCCC3)n2)nn1 ZINC000562996650 333026316 /nfs/dbraw/zinc/02/63/16/333026316.db2.gz FCXWNDOEPKVBMR-UHFFFAOYSA-N 0 0 301.350 2.040 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c[nH]nc1-c1ccsc1 ZINC000562997735 333026526 /nfs/dbraw/zinc/02/65/26/333026526.db2.gz NMVUVFAVEOCXJM-GWCFXTLKSA-N 0 0 303.387 2.459 10 30 DEEERN C=CCNC(=O)N1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000186936771 333381820 /nfs/dbraw/zinc/38/18/20/333381820.db2.gz ZVOVTJCARXVNQM-UHFFFAOYSA-N 0 0 317.418 2.017 10 30 DEEERN C=CCNC(=O)CNC(=O)Nc1c(F)cc(Cl)c(C)c1F ZINC000348209860 335561641 /nfs/dbraw/zinc/56/16/41/335561641.db2.gz ATLSEQYEYMUUPC-UHFFFAOYSA-N 0 0 317.723 2.350 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000520400022 335974029 /nfs/dbraw/zinc/97/40/29/335974029.db2.gz RHGKDJCHZYKRTB-YVSFHVDLSA-N 0 0 316.401 2.407 10 30 DEEERN C#CCNC(=O)c1ccc(N(C)CCc2ccc(F)cc2)nc1 ZINC000301244707 336296502 /nfs/dbraw/zinc/29/65/02/336296502.db2.gz PNJGCFUMAUIAHD-UHFFFAOYSA-N 0 0 311.360 2.263 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccc2nccnc2c1 ZINC000514614503 336385960 /nfs/dbraw/zinc/38/59/60/336385960.db2.gz WBHIIBNJFWMHDK-UHFFFAOYSA-N 0 0 312.373 2.431 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnc(OCC)c(Cl)c1 ZINC000563952486 336388610 /nfs/dbraw/zinc/38/86/10/336388610.db2.gz IVSUBCNAUZKBKH-GWCFXTLKSA-N 0 0 310.781 2.455 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N(C)c1ncc(C(=O)OC)s1 ZINC000356008289 336531949 /nfs/dbraw/zinc/53/19/49/336531949.db2.gz WZJXPAXGBYAZNG-CQSZACIVSA-N 0 0 312.391 2.121 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000582371649 336947613 /nfs/dbraw/zinc/94/76/13/336947613.db2.gz GZNXXQZMGXPUQU-MLGOLLRUSA-N 0 0 315.417 2.233 10 30 DEEERN C#CCC(C)(C)C(=O)N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000375118661 337003734 /nfs/dbraw/zinc/00/37/34/337003734.db2.gz ACLWBPWWNZSXEU-CQSZACIVSA-N 0 0 304.390 2.458 10 30 DEEERN CC(C)(C#N)CCCN1CCn2c(nnc2-c2cccnc2)C1 ZINC000378186817 337068053 /nfs/dbraw/zinc/06/80/53/337068053.db2.gz ZLVXSMBRUPITQK-UHFFFAOYSA-N 0 0 310.405 2.486 10 30 DEEERN COC[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000177293499 337154671 /nfs/dbraw/zinc/15/46/71/337154671.db2.gz MYALSCQMFRISJX-OAHLLOKOSA-N 0 0 313.319 2.404 10 30 DEEERN Cc1cnc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)s1 ZINC000571711865 337571151 /nfs/dbraw/zinc/57/11/51/337571151.db2.gz BMBFHFNXHQWPNI-HNNXBMFYSA-N 0 0 323.418 2.329 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@]1(O)CCCC(C)(C)C1 ZINC000571996243 337585839 /nfs/dbraw/zinc/58/58/39/337585839.db2.gz QKWYILFKTMRAPK-ZQIUZPCESA-N 0 0 310.438 2.208 10 30 DEEERN C=CCn1c(N2C[C@@H](CC)O[C@@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000515337310 337986015 /nfs/dbraw/zinc/98/60/15/337986015.db2.gz YHTXPKLXGAVMGW-VBQJREDUSA-N 0 0 320.437 2.493 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000575002219 338532752 /nfs/dbraw/zinc/53/27/52/338532752.db2.gz AEONWAVWEKSEKH-UHFFFAOYSA-N 0 0 309.391 2.293 10 30 DEEERN CC1(C#N)CCN(C(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000541886620 340987378 /nfs/dbraw/zinc/98/73/78/340987378.db2.gz MYBFCBWPCOYFKT-AWEZNQCLSA-N 0 0 317.433 2.320 10 30 DEEERN C[C@@H]1C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000543735098 341055883 /nfs/dbraw/zinc/05/58/83/341055883.db2.gz FGQKDHCJAUXNJB-LKQDWFRTSA-N 0 0 324.421 2.320 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1C ZINC000564633321 341505648 /nfs/dbraw/zinc/50/56/48/341505648.db2.gz LNMITOHZMJSLGD-NEPJUHHUSA-N 0 0 301.795 2.270 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000564772629 341509108 /nfs/dbraw/zinc/50/91/08/341509108.db2.gz YEUWCQIWPOUGTK-VQHPVUNQSA-N 0 0 322.449 2.426 10 30 DEEERN C=CCCCCCNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000567402220 341601646 /nfs/dbraw/zinc/60/16/46/341601646.db2.gz MNSIZVBOMNLLEI-AWEZNQCLSA-N 0 0 304.390 2.491 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000567472241 341608917 /nfs/dbraw/zinc/60/89/17/341608917.db2.gz FXLSTNHFAMOABC-HNNXBMFYSA-N 0 0 317.437 2.001 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C1(C(=O)OC(C)(C)C)CC1 ZINC000568048184 341647812 /nfs/dbraw/zinc/64/78/12/341647812.db2.gz FKQNHDQVLNBJES-CHWSQXEVSA-N 0 0 309.406 2.206 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000576678629 341858142 /nfs/dbraw/zinc/85/81/42/341858142.db2.gz APCPQZMXTXXKQR-CVEARBPZSA-N 0 0 317.364 2.492 10 30 DEEERN CCOc1cccc(CCNc2ncc([N+](=O)[O-])cc2C#N)n1 ZINC000610755573 483936874 /nfs/dbraw/zinc/93/68/74/483936874.db2.gz YRSRAMFVEBQRQW-UHFFFAOYSA-N 0 0 313.317 2.310 10 30 DEEERN Cc1cc(Cl)ncc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000370685360 533799361 /nfs/dbraw/zinc/79/93/61/533799361.db2.gz AIFXVXBZMGLKTR-LBPRGKRZSA-N 0 0 319.796 2.248 10 30 DEEERN Cc1cc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cnc1Cl ZINC000366014889 533963651 /nfs/dbraw/zinc/96/36/51/533963651.db2.gz ODHZSIIIXRHKEG-ZDUSSCGKSA-N 0 0 319.796 2.248 10 30 DEEERN CS[C@H](C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000365465297 534014087 /nfs/dbraw/zinc/01/40/87/534014087.db2.gz HVTPMGBLYVJAEJ-HOTGVXAUSA-N 0 0 315.442 2.289 10 30 DEEERN C=C(CC)CNC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000454843452 534414063 /nfs/dbraw/zinc/41/40/63/534414063.db2.gz BVOGVSZJRVZELE-HNNXBMFYSA-N 0 0 319.380 2.192 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N(CCC)CC1CC1 ZINC000453422929 534427720 /nfs/dbraw/zinc/42/77/20/534427720.db2.gz KYHUDAUQGIQKOT-UHFFFAOYSA-N 0 0 315.425 2.194 10 30 DEEERN Cc1noc([C@@H](C)N2CCN(CC#Cc3ccccc3)CC2)n1 ZINC000192003919 534437383 /nfs/dbraw/zinc/43/73/83/534437383.db2.gz JUOALYLYSCZAES-OAHLLOKOSA-N 0 0 310.401 2.108 10 30 DEEERN CCOCCN1CCN(C(=O)c2sccc2C#N)C[C@@H]1CC ZINC000116767051 519918483 /nfs/dbraw/zinc/91/84/83/519918483.db2.gz VSKZNWMBYBRCAG-AWEZNQCLSA-N 0 0 321.446 2.193 10 30 DEEERN C=CCC(C)(C)C(=O)N1CCN(c2ccc(OC)cn2)CC1 ZINC000457026771 534536959 /nfs/dbraw/zinc/53/69/59/534536959.db2.gz PRLZBDANSUGSSO-UHFFFAOYSA-N 0 0 303.406 2.341 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000456262435 534569383 /nfs/dbraw/zinc/56/93/83/534569383.db2.gz DNNKNIHWJZVFMZ-IPYPFGDCSA-N 0 0 307.777 2.493 10 30 DEEERN C=C[C@H](C)NC(=O)C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000453678485 534632690 /nfs/dbraw/zinc/63/26/90/534632690.db2.gz QWNKRFFFAZUZQR-NSHDSACASA-N 0 0 304.394 2.097 10 30 DEEERN COc1cc(OC)c(CN=NC(N)=S)cc1Br ZINC000033281736 522788871 /nfs/dbraw/zinc/78/88/71/522788871.db2.gz JSMDSUAJJNISAI-ACAGNQJTSA-N 0 0 318.196 2.045 10 30 DEEERN CC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)C[C@@H](C)O1 ZINC000111015998 523409449 /nfs/dbraw/zinc/40/94/49/523409449.db2.gz IPCKQCAJQVHWNB-UMVBOHGHSA-N 0 0 302.374 2.351 10 30 DEEERN N#Cc1c(F)cccc1C(=O)NCc1ccc(CO)c(F)c1 ZINC000186545624 534763793 /nfs/dbraw/zinc/76/37/93/534763793.db2.gz SDYCNKSZPBQUQO-UHFFFAOYSA-N 0 0 302.280 2.259 10 30 DEEERN CC#CCCCC(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000360582948 526293733 /nfs/dbraw/zinc/29/37/33/526293733.db2.gz ROILKPMRFUWFQI-KRWDZBQOSA-N 0 0 301.386 2.486 10 30 DEEERN CC#CCCCC(=O)NCCc1cnc2c(Cl)cnn2c1 ZINC000295286725 526296443 /nfs/dbraw/zinc/29/64/43/526296443.db2.gz FYEXPGQHLJGSBL-UHFFFAOYSA-N 0 0 304.781 2.235 10 30 DEEERN C=CCN(CCOC)S(=O)(=O)c1c(F)cccc1Cl ZINC000190511078 526301783 /nfs/dbraw/zinc/30/17/83/526301783.db2.gz CWSKBZKOSSWWTQ-UHFFFAOYSA-N 0 0 307.774 2.302 10 30 DEEERN CC#CCN(C)C(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000341014003 526353244 /nfs/dbraw/zinc/35/32/44/526353244.db2.gz DZNSPKLOLPLZRA-ZDUSSCGKSA-N 0 0 316.426 2.243 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)c1cc(C(=O)OC)on1 ZINC000342705098 526356538 /nfs/dbraw/zinc/35/65/38/526356538.db2.gz YIOJMBZXNHNJDJ-UHFFFAOYSA-N 0 0 300.314 2.290 10 30 DEEERN C=CCN1CC[C@H](NC2(c3noc(C(C)C)n3)CCCC2)C1=O ZINC000281176327 526513267 /nfs/dbraw/zinc/51/32/67/526513267.db2.gz LLQGIRSVIIPABW-ZDUSSCGKSA-N 0 0 318.421 2.339 10 30 DEEERN C=CCNC(=O)C(=O)Nc1cc(Cc2ccccn2)ccc1C ZINC000338787523 526522559 /nfs/dbraw/zinc/52/25/59/526522559.db2.gz SPZXWMGRUMWLTD-UHFFFAOYSA-N 0 0 309.369 2.222 10 30 DEEERN C=C(C)CN(CC)C(=O)Cn1c(-c2ccccc2C)noc1=O ZINC000341417893 526531614 /nfs/dbraw/zinc/53/16/14/526531614.db2.gz MLHLNPRNFSOAQC-UHFFFAOYSA-N 0 0 315.373 2.236 10 30 DEEERN N#Cc1ccc(C2(C(=O)Nc3ccc4nncn4c3)CC2)cc1 ZINC000188990405 526602771 /nfs/dbraw/zinc/60/27/71/526602771.db2.gz IGOFULWPNURMGV-UHFFFAOYSA-N 0 0 303.325 2.271 10 30 DEEERN C=CCNC(=O)[C@H](C)N(CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000411195946 526631231 /nfs/dbraw/zinc/63/12/31/526631231.db2.gz UBMLPZUDCPFEAZ-ZDUSSCGKSA-N 0 0 303.362 2.274 10 30 DEEERN C=C(C)COCCNC(=O)NCc1ccn(C2CCCC2)n1 ZINC000151600913 526642793 /nfs/dbraw/zinc/64/27/93/526642793.db2.gz QQOWTDBAVVFPGL-UHFFFAOYSA-N 0 0 306.410 2.390 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)c2cn(C(C)C)nn2)cc1 ZINC000428125616 526652892 /nfs/dbraw/zinc/65/28/92/526652892.db2.gz PGBOLWIDCGMBEJ-UHFFFAOYSA-N 0 0 313.361 2.027 10 30 DEEERN C#CCCCCC(=O)N[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000378402313 526689033 /nfs/dbraw/zinc/68/90/33/526689033.db2.gz WJMNRNPEIQVXEW-CQSZACIVSA-N 0 0 314.385 2.110 10 30 DEEERN C#CCCCCNC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000155059222 526695715 /nfs/dbraw/zinc/69/57/15/526695715.db2.gz LHMDMTMBGPYCJD-INIZCTEOSA-N 0 0 313.401 2.237 10 30 DEEERN C#CCCCCNC(=O)N1CC(O)(c2ccc(Cl)cc2)C1 ZINC000378082089 526695767 /nfs/dbraw/zinc/69/57/67/526695767.db2.gz YBQCQUYNTSNFNW-UHFFFAOYSA-N 0 0 306.793 2.356 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1F ZINC000364053445 526695861 /nfs/dbraw/zinc/69/58/61/526695861.db2.gz CQCXEULNZJGZFJ-DOMZBBRYSA-N 0 0 304.365 2.428 10 30 DEEERN C#CCCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245650142 526714348 /nfs/dbraw/zinc/71/43/48/526714348.db2.gz DGEKAKATADNFAT-HZPDHXFCSA-N 0 0 321.371 2.423 10 30 DEEERN C#CCCCS(=O)(=O)N1CCc2ccc(C(C)=O)cc2CC1 ZINC000376357341 526719678 /nfs/dbraw/zinc/71/96/78/526719678.db2.gz FGKFLPOXMMSBDY-UHFFFAOYSA-N 0 0 319.426 2.033 10 30 DEEERN C=CCOCCCC(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375543762 526736067 /nfs/dbraw/zinc/73/60/67/526736067.db2.gz SEGAHBJOMSTAAO-ZDUSSCGKSA-N 0 0 305.378 2.246 10 30 DEEERN C#CCCNS(=O)(=O)c1cc(OC)cc(C(F)(F)F)c1 ZINC000296776050 526737200 /nfs/dbraw/zinc/73/72/00/526737200.db2.gz PXOSDEPMSGSMNR-UHFFFAOYSA-N 0 0 307.293 2.016 10 30 DEEERN C#CCCOc1ccc(C(=O)N(C)[C@H]2CC[C@H](O)CC2)cc1 ZINC000295708082 526739194 /nfs/dbraw/zinc/73/91/94/526739194.db2.gz FWDZMMZGIOEIQX-WKILWMFISA-N 0 0 301.386 2.464 10 30 DEEERN C=C(C)[C@@H](CC(=O)N(C)c1ncc(C(=O)OC)s1)OCC ZINC000339436823 526740820 /nfs/dbraw/zinc/74/08/20/526740820.db2.gz HVYFKCKWIOFTGX-SNVBAGLBSA-N 0 0 312.391 2.264 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(OCC(=O)OC)c1 ZINC000362536645 526764455 /nfs/dbraw/zinc/76/44/55/526764455.db2.gz BAUUQLZHOFWATK-HOCLYGCPSA-N 0 0 319.357 2.158 10 30 DEEERN C=CCOCCNC(=O)N1CCC(N(C)c2ccccc2)CC1 ZINC000374738981 526773813 /nfs/dbraw/zinc/77/38/13/526773813.db2.gz QOGPBTVSBYVUNC-UHFFFAOYSA-N 0 0 317.433 2.499 10 30 DEEERN C=CCOCCNC(=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000369973078 526777579 /nfs/dbraw/zinc/77/75/79/526777579.db2.gz JKHCQCHACAOQST-QGZVFWFLSA-N 0 0 302.374 2.030 10 30 DEEERN C=CCOCCNC(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000371634229 526779729 /nfs/dbraw/zinc/77/97/29/526779729.db2.gz OAHHKZUYUBERDB-CQSZACIVSA-N 0 0 321.396 2.296 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@H](C)c1noc(COCC)n1)OCC ZINC000358377688 526815479 /nfs/dbraw/zinc/81/54/79/526815479.db2.gz AWWJXCNCKIMQER-NEPJUHHUSA-N 0 0 311.382 2.155 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC(C)(C)c1noc(CC)n1 ZINC000442594108 526845977 /nfs/dbraw/zinc/84/59/77/526845977.db2.gz LDYXYHHPBGZTMP-WCQYABFASA-N 0 0 322.409 2.148 10 30 DEEERN C=CC1CCN(C(=O)C(=O)Nc2cnc(C)nc2C2CC2)CC1 ZINC000411223689 526960751 /nfs/dbraw/zinc/96/07/51/526960751.db2.gz YKOQAHPWVJIGMF-UHFFFAOYSA-N 0 0 314.389 2.026 10 30 DEEERN C=CCOc1cccnc1C(=O)Nc1nnc2cc(C)ccn21 ZINC000341968563 526969048 /nfs/dbraw/zinc/96/90/48/526969048.db2.gz HZJOHAFSZAWWCG-UHFFFAOYSA-N 0 0 309.329 2.250 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C1(c2ccc(OC)c(OC)c2)CCC1 ZINC000337033937 527085189 /nfs/dbraw/zinc/08/51/89/527085189.db2.gz HKCDGDXLPLTJOY-AWEZNQCLSA-N 0 0 319.401 2.179 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1cccc(OCC(C)C)c1 ZINC000183209136 527090784 /nfs/dbraw/zinc/09/07/84/527090784.db2.gz VXSCNPUYPLNSSD-HNNXBMFYSA-N 0 0 306.406 2.458 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(N(C(C)=O)C2CC2)cc1 ZINC000297432228 527095788 /nfs/dbraw/zinc/09/57/88/527095788.db2.gz PDTBGCREKAYXHO-AWEZNQCLSA-N 0 0 317.389 2.260 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(Br)cn1C(C)C ZINC000185946815 527097943 /nfs/dbraw/zinc/09/79/43/527097943.db2.gz WUELENJTVQXDSN-NSHDSACASA-N 0 0 315.211 2.498 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnn2c1nccc2-c1ccccc1 ZINC000337022039 527101075 /nfs/dbraw/zinc/10/10/75/527101075.db2.gz ACCKAPLMTTXVLY-AWEZNQCLSA-N 0 0 322.368 2.063 10 30 DEEERN C#CCOc1ccc(CNC(=O)N2CC[C@H](C)[C@H](OC)C2)cc1 ZINC000296957170 527102819 /nfs/dbraw/zinc/10/28/19/527102819.db2.gz HTSDDHWMRRSOFC-WMLDXEAASA-N 0 0 316.401 2.265 10 30 DEEERN C#CCSCCN1C(=O)[C@H](C)N(Cc2ccccc2)C1=O ZINC000288454059 527134853 /nfs/dbraw/zinc/13/48/53/527134853.db2.gz TXVBTPHUJQBODT-ZDUSSCGKSA-N 0 0 302.399 2.206 10 30 DEEERN C=CCCCCNC(=O)C(=O)NC[C@H]1CC12CCSCC2 ZINC000422585726 527140619 /nfs/dbraw/zinc/14/06/19/527140619.db2.gz AETKABQCUSLFHJ-CYBMUJFWSA-N 0 0 310.463 2.108 10 30 DEEERN C=CC[C@H](CC)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000281062354 527158921 /nfs/dbraw/zinc/15/89/21/527158921.db2.gz LNAKPLMMPZYCCU-SQWLQELKSA-N 0 0 301.390 2.072 10 30 DEEERN C=CC[C@H](CC)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000374156699 527159732 /nfs/dbraw/zinc/15/97/32/527159732.db2.gz DBSNCZLGYSOGFE-ZFWWWQNUSA-N 0 0 316.401 2.468 10 30 DEEERN C=CCCCCNC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000368820183 527161210 /nfs/dbraw/zinc/16/12/10/527161210.db2.gz BZKBDBWZTGLUPT-HNNXBMFYSA-N 0 0 316.405 2.233 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCc1ccc(=O)[nH]c1 ZINC000287449159 527171003 /nfs/dbraw/zinc/17/10/03/527171003.db2.gz VNTDQCJHIQOEPM-QGZVFWFLSA-N 0 0 308.381 2.471 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)CCN(C)c1ccccc1 ZINC000410524760 527172367 /nfs/dbraw/zinc/17/23/67/527172367.db2.gz LYHRTKAPFXKBPD-UHFFFAOYSA-N 0 0 317.433 2.006 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@H](C2CC2)C1 ZINC000376561270 527172368 /nfs/dbraw/zinc/17/23/68/527172368.db2.gz HNYVXCWGEIFOGL-MSOLQXFVSA-N 0 0 312.413 2.441 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(CCC)C[C@H]1CCCCO1 ZINC000410509313 527173286 /nfs/dbraw/zinc/17/32/86/527173286.db2.gz OXPNQIVVIDZEAM-OAHLLOKOSA-N 0 0 310.438 2.219 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCOC[C@@H]1C ZINC000288825039 527173357 /nfs/dbraw/zinc/17/33/57/527173357.db2.gz VIFPCDGWOFJGBU-UAGQMJEPSA-N 0 0 300.402 2.345 10 30 DEEERN C#CC[C@H](NC(=O)N[C@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000368192292 527174542 /nfs/dbraw/zinc/17/45/42/527174542.db2.gz XGKYSRHKZSTKIX-GJZGRUSLSA-N 0 0 308.385 2.331 10 30 DEEERN C#CCn1ccc(CN(CC)c2nc(C(=O)OCC)cs2)n1 ZINC000296719063 527184546 /nfs/dbraw/zinc/18/45/46/527184546.db2.gz HGKPQNDOPDZBAI-UHFFFAOYSA-N 0 0 318.402 2.176 10 30 DEEERN C=CCCCN(C)c1nnc(COCC)n1C[C@@H]1CCOC1 ZINC000339141877 527195140 /nfs/dbraw/zinc/19/51/40/527195140.db2.gz NNTYLGQFNYMQGW-AWEZNQCLSA-N 0 0 308.426 2.254 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@H](CC)Oc1cccc(F)c1 ZINC000183671417 527196274 /nfs/dbraw/zinc/19/62/74/527196274.db2.gz SOPGKAIMISYYJN-KGLIPLIRSA-N 0 0 310.369 2.219 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000183617867 527196561 /nfs/dbraw/zinc/19/65/61/527196561.db2.gz HSQHMJWGOMRUOR-NWDGAFQWSA-N 0 0 312.797 2.344 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccccc1OCC1CC1 ZINC000183570679 527197263 /nfs/dbraw/zinc/19/72/63/527197263.db2.gz HTGSPUWXQOIFBL-OAHLLOKOSA-N 0 0 304.390 2.212 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(C(F)(F)F)nc1OCC ZINC000337022924 527207106 /nfs/dbraw/zinc/20/71/06/527207106.db2.gz ANSDIELZDOALBX-SECBINFHSA-N 0 0 318.295 2.166 10 30 DEEERN C=CCCCNC(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000448042848 527217063 /nfs/dbraw/zinc/21/70/63/527217063.db2.gz LMRYPTYIKPNPDF-UHFFFAOYSA-N 0 0 319.380 2.146 10 30 DEEERN C=CCCCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000448380325 527217557 /nfs/dbraw/zinc/21/75/57/527217557.db2.gz FGYVDALUKAVZIV-QGZVFWFLSA-N 0 0 312.417 2.372 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)NCCc1cn(C)cn1 ZINC000413615981 527218067 /nfs/dbraw/zinc/21/80/67/527218067.db2.gz XXZUBJDBYGARKX-MRXNPFEDSA-N 0 0 312.417 2.449 10 30 DEEERN C=CCc1cc(CNC(=O)C2CC(C)(O)C2)cc(OC)c1OC ZINC000448837671 527238653 /nfs/dbraw/zinc/23/86/53/527238653.db2.gz UAWIOKOHUQHOFN-UHFFFAOYSA-N 0 0 319.401 2.210 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)NCC1CCC(OC)CC1 ZINC000352316903 527255946 /nfs/dbraw/zinc/25/59/46/527255946.db2.gz YVCWOIBAAAMOBE-WLYUNCDWSA-N 0 0 310.438 2.169 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCOCC1 ZINC000191929480 527257072 /nfs/dbraw/zinc/25/70/72/527257072.db2.gz PJXYJUWVCYWUGU-UHFFFAOYSA-N 0 0 316.401 2.336 10 30 DEEERN C=CCCC[C@H](C)NC(=O)c1sc(S(N)(=O)=O)cc1C ZINC000343528241 527296931 /nfs/dbraw/zinc/29/69/31/527296931.db2.gz SFZPAINCXNOSKJ-JTQLQIEISA-N 0 0 316.448 2.179 10 30 DEEERN C=CCn1c(C)nnc1N1CCc2cc(OC)c(F)cc2C1 ZINC000351077905 527300678 /nfs/dbraw/zinc/30/06/78/527300678.db2.gz XNCVLUJHPAHKRJ-UHFFFAOYSA-N 0 0 302.353 2.483 10 30 DEEERN C=CCn1c(CC2CCCC2)nnc1N1CCN(C2CC2)CC1 ZINC000337851974 527314513 /nfs/dbraw/zinc/31/45/13/527314513.db2.gz JSGRABDZOLTCFR-UHFFFAOYSA-N 0 0 315.465 2.481 10 30 DEEERN C=CCn1c(N(C)CCCCOC)nnc1[C@@]1(C)CCCO1 ZINC000417453732 527329359 /nfs/dbraw/zinc/32/93/59/527329359.db2.gz PHEYXZAIWMGDAD-MRXNPFEDSA-N 0 0 308.426 2.353 10 30 DEEERN C=CCn1nnnc1SCc1cncn1Cc1ccccc1 ZINC000445607015 527392000 /nfs/dbraw/zinc/39/20/00/527392000.db2.gz HOCKUGXJHLVMBF-UHFFFAOYSA-N 0 0 312.402 2.396 10 30 DEEERN C#Cc1ccc(CNC(=O)NCCCCn2ccnc2C)cc1 ZINC000296618893 527435011 /nfs/dbraw/zinc/43/50/11/527435011.db2.gz WHVPFIMBPSQYBM-UHFFFAOYSA-N 0 0 310.401 2.452 10 30 DEEERN C#Cc1ccc(CNC(=O)N(C)C2CCC(CO)CC2)cc1 ZINC000297448871 527435362 /nfs/dbraw/zinc/43/53/62/527435362.db2.gz BNYADKHKIYUWJC-UHFFFAOYSA-N 0 0 300.402 2.360 10 30 DEEERN C=CCC[C@@H](NC(=O)NC[C@H]1CN(C)CCO1)c1ccccc1 ZINC000246166525 527441189 /nfs/dbraw/zinc/44/11/89/527441189.db2.gz DFMSXWMMRDBXFY-DLBZAZTESA-N 0 0 317.433 2.324 10 30 DEEERN C=CCC[C@H](C(=O)N1CCN2C(=O)N=NC2C1)c1ccccc1 ZINC000438456307 527462245 /nfs/dbraw/zinc/46/22/45/527462245.db2.gz DZBNTTMAMDOIAD-AWEZNQCLSA-N 0 0 312.373 2.076 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000333231181 527470958 /nfs/dbraw/zinc/47/09/58/527470958.db2.gz YDBJKGGFIUAFSN-PNBKFKSVSA-N 0 0 308.422 2.057 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CSc1ccccc1OC ZINC000424933797 527493256 /nfs/dbraw/zinc/49/32/56/527493256.db2.gz RXGZUBUYCZLPGA-STQMWFEESA-N 0 0 307.415 2.495 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000424919618 527496569 /nfs/dbraw/zinc/49/65/69/527496569.db2.gz XSHYCIHIBVKOIZ-VZJVUDMVSA-N 0 0 307.777 2.351 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1cncc(SCC(=O)OCC)n1 ZINC000425287255 527499017 /nfs/dbraw/zinc/49/90/17/527499017.db2.gz VUOCXOSXXQGTPU-RYUDHWBXSA-N 0 0 323.418 2.135 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C)COCC ZINC000337655645 527502169 /nfs/dbraw/zinc/50/21/69/527502169.db2.gz NJHWLOICXYYNGF-ZDUSSCGKSA-N 0 0 304.390 2.285 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)Cn1ccc(C(F)(F)F)n1 ZINC000299293491 527586349 /nfs/dbraw/zinc/58/63/49/527586349.db2.gz KECYHGZVSZBKNN-UHFFFAOYSA-N 0 0 315.217 2.479 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](CC)N1CCO[C@H](CC)C1 ZINC000339252010 527587281 /nfs/dbraw/zinc/58/72/81/527587281.db2.gz DZXHKAPCAJLHEI-CHWSQXEVSA-N 0 0 322.371 2.453 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N[C@H]1COc2ccc(F)cc2C1 ZINC000292953024 527621962 /nfs/dbraw/zinc/62/19/62/527621962.db2.gz HGRYCFSJSKAJQC-RHSMWYFYSA-N 0 0 307.365 2.474 10 30 DEEERN C=CCN(CC=C)C(=O)N[C@H](C)c1nnc2n1CCCCC2 ZINC000370795884 527623485 /nfs/dbraw/zinc/62/34/85/527623485.db2.gz NBBCFAHIFIWTQS-CYBMUJFWSA-N 0 0 303.410 2.449 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000193121183 527630910 /nfs/dbraw/zinc/63/09/10/527630910.db2.gz WQGJHNZHTQNWRZ-HNNXBMFYSA-N 0 0 314.385 2.197 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)N1CCO[C@@H](c2nccs2)C1 ZINC000249800932 527633713 /nfs/dbraw/zinc/63/37/13/527633713.db2.gz AERNEWZKQJMYQJ-UONOGXRCSA-N 0 0 321.446 2.106 10 30 DEEERN CCO[C@@H]1C[C@@](O)(CNC(=O)c2cn3ccnc3s2)C1(C)C ZINC000330025501 527882459 /nfs/dbraw/zinc/88/24/59/527882459.db2.gz KPVDHPARJMFJLQ-IAQYHMDHSA-N 0 0 323.418 2.267 10 30 DEEERN CCCCCCCS(=O)(=O)N[C@H]1CCCn2ncnc21 ZINC000195343868 528137979 /nfs/dbraw/zinc/13/79/79/528137979.db2.gz GDAIJXUCLFJLJJ-LBPRGKRZSA-N 0 0 300.428 2.003 10 30 DEEERN CC1CCC(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000369221058 528181466 /nfs/dbraw/zinc/18/14/66/528181466.db2.gz VSCOWSXBZHNKHG-XUJLQICISA-N 0 0 304.438 2.194 10 30 DEEERN CCCNC(=O)CN(CCC)C(=O)NCC1CCC(C#N)CC1 ZINC000440999697 528381073 /nfs/dbraw/zinc/38/10/73/528381073.db2.gz CJEJGPJNIQKKAK-UHFFFAOYSA-N 0 0 322.453 2.264 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000195479766 528701037 /nfs/dbraw/zinc/70/10/37/528701037.db2.gz ZTSZIJRXQUFRMJ-ZBFHGGJFSA-N 0 0 313.401 2.299 10 30 DEEERN CCC1(CC)CN(C(=O)c2cccc(F)c2C#N)CC[S@@]1=O ZINC000188266473 529078517 /nfs/dbraw/zinc/07/85/17/529078517.db2.gz AWCMRWPDLQWUIW-JOCHJYFZSA-N 0 0 322.405 2.461 10 30 DEEERN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@H](C)CO ZINC000077691710 534974690 /nfs/dbraw/zinc/97/46/90/534974690.db2.gz RRSHYWJFKZKJKU-NEPJUHHUSA-N 0 0 305.378 2.484 10 30 DEEERN CC(C)COc1ccccc1NC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000356995416 535245011 /nfs/dbraw/zinc/24/50/11/535245011.db2.gz PPPRQFRWLWBLJW-LBPRGKRZSA-N 0 0 313.361 2.384 10 30 DEEERN CN(CC(C)(C)C#N)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451586447 536177393 /nfs/dbraw/zinc/17/73/93/536177393.db2.gz YIKREFWWENEICT-UHFFFAOYSA-N 0 0 309.366 2.009 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC000246813496 536699013 /nfs/dbraw/zinc/69/90/13/536699013.db2.gz PXAMDUQPDNKEJY-IKGGRYGDSA-N 0 0 304.365 2.466 10 30 DEEERN C#CCN(CC#C)C(=O)CSc1nc2ccccc2s1 ZINC000175732924 622694875 /nfs/dbraw/zinc/69/48/75/622694875.db2.gz QNGADOZDMLFEOY-UHFFFAOYSA-N 0 0 300.408 2.483 10 30 DEEERN CON=Cc1ccc(C(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000255103925 623445551 /nfs/dbraw/zinc/44/55/51/623445551.db2.gz UIKMSBSKLIKPCX-UHFFFAOYSA-N 0 0 312.373 2.410 10 30 DEEERN C#CCSCCNS(=O)(=O)c1cccc2ccccc21 ZINC000176722528 624927937 /nfs/dbraw/zinc/92/79/37/624927937.db2.gz ZHCZLRAYWZXBBK-UHFFFAOYSA-N 0 0 305.424 2.485 10 30 DEEERN C#CC[C@H](OC(=O)CSc1nnnn1C1CCCC1)C(C)C ZINC000177737355 625074197 /nfs/dbraw/zinc/07/41/97/625074197.db2.gz SNSIPENHXDLQCG-ZDUSSCGKSA-N 0 0 322.434 2.471 10 30 DEEERN COc1ccccc1[C@@H](O)CNC(=O)c1sccc1C#N ZINC000052147839 625121704 /nfs/dbraw/zinc/12/17/04/625121704.db2.gz MQLSHFPYZHBRLG-LBPRGKRZSA-N 0 0 302.355 2.092 10 30 DEEERN C#CCSCCNC(=O)N[C@@H](CC)c1c(C)nn(C)c1C ZINC000743623070 625128705 /nfs/dbraw/zinc/12/87/05/625128705.db2.gz DYBMTDIHCLRNBN-ZDUSSCGKSA-N 0 0 308.451 2.154 10 30 DEEERN O=C(NCc1nc2c(s1)CCCC2)[C@@H]1CCc2n[nH]nc2C1 ZINC000328922439 625150432 /nfs/dbraw/zinc/15/04/32/625150432.db2.gz CMSXOVXGCNPNQL-SECBINFHSA-N 0 0 317.418 2.402 10 30 DEEERN C=C(Br)COC(=O)c1cnc2c(C)cccn2c1=O ZINC000180640575 625215599 /nfs/dbraw/zinc/21/55/99/625215599.db2.gz JTYZTCNQHOIVCH-UHFFFAOYSA-N 0 0 323.146 2.068 10 30 DEEERN C[C@H](C#N)CNC(=O)N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000182687451 625271702 /nfs/dbraw/zinc/27/17/02/625271702.db2.gz CTPDQNOJHPGTBL-UPJWGTAASA-N 0 0 324.425 2.139 10 30 DEEERN C=CCNC(=O)COC(=O)c1ccccc1N1CCCCC1 ZINC000733591388 633240857 /nfs/dbraw/zinc/24/08/57/633240857.db2.gz KOFZGEUGJRRCTK-UHFFFAOYSA-N 0 0 302.374 2.136 10 30 DEEERN C=C(COC(=O)c1ccc(C(F)(F)F)nc1)C(=O)OCC ZINC000734027056 633312926 /nfs/dbraw/zinc/31/29/26/633312926.db2.gz FSHJLAHHOOKPPX-UHFFFAOYSA-N 0 0 303.236 2.377 10 30 DEEERN Cc1cccc(OCCCC(=O)[C@@H](C#N)C(=O)N2CCCC2)c1 ZINC000124687484 633409139 /nfs/dbraw/zinc/40/91/39/633409139.db2.gz NUONDKSKWVEKCD-MRXNPFEDSA-N 0 0 314.385 2.485 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)NCC[S@](=O)CC ZINC000735109382 633462892 /nfs/dbraw/zinc/46/28/92/633462892.db2.gz HVAVVDZYBCJIEW-LJQANCHMSA-N 0 0 300.449 2.214 10 30 DEEERN COCCCNC(=O)[C@@H](C#N)C(=O)CCCc1ccc(C)cc1 ZINC000125153751 633514157 /nfs/dbraw/zinc/51/41/57/633514157.db2.gz ZCSIJWUCHOQWCS-INIZCTEOSA-N 0 0 316.401 2.179 10 30 DEEERN N#Cc1ccc(COC(=O)CNC(=O)CC2CCCC2)cc1 ZINC000725989564 634832382 /nfs/dbraw/zinc/83/23/82/634832382.db2.gz ABGRUYCGXDERPD-UHFFFAOYSA-N 0 0 300.358 2.298 10 30 DEEERN C=CCCO[C@H](C)C(=O)OCCn1c2ccccc2oc1=O ZINC000066960311 635050873 /nfs/dbraw/zinc/05/08/73/635050873.db2.gz DCHDKDYCAQKALB-GFCCVEGCSA-N 0 0 305.330 2.119 10 30 DEEERN CCCCCCCCOC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000125991183 635587442 /nfs/dbraw/zinc/58/74/42/635587442.db2.gz VBWCBPVNJTUISZ-UHFFFAOYSA-N 0 0 320.393 2.034 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)[C@@H](C)n1nc(C)cc1C ZINC000120432839 636032494 /nfs/dbraw/zinc/03/24/94/636032494.db2.gz YIEAOLCLISAFJP-CQSZACIVSA-N 0 0 324.384 2.063 10 30 DEEERN CCCCCCCCCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000126305354 636503238 /nfs/dbraw/zinc/50/32/38/636503238.db2.gz OHZAUZMKRNQTND-UHFFFAOYSA-N 0 0 311.426 2.184 10 30 DEEERN CC[C@H]1NC(=O)N(Cc2cc(Cl)ccc2OCC#N)C1=O ZINC000747836803 636572880 /nfs/dbraw/zinc/57/28/80/636572880.db2.gz DJKHTCPMXNCTRP-LLVKDONJSA-N 0 0 307.737 2.073 10 30 DEEERN C#Cc1cccc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1 ZINC000074043308 636650226 /nfs/dbraw/zinc/65/02/26/636650226.db2.gz KRIFXMDEDLQPJH-AEFFLSMTSA-N 0 0 319.364 2.221 10 30 DEEERN C#CCSCCNC(=O)NCCc1ccc2ccccc2n1 ZINC000740047252 637222923 /nfs/dbraw/zinc/22/29/23/637222923.db2.gz YWVKMEFYYZKOOK-UHFFFAOYSA-N 0 0 313.426 2.443 10 30 DEEERN COCCN(C/C=C(/C)C(=O)OC)Cc1ccc(C#N)cc1 ZINC000748815442 637313925 /nfs/dbraw/zinc/31/39/25/637313925.db2.gz NCVOTRMZPOECEZ-ZSOIEALJSA-N 0 0 302.374 2.126 10 30 DEEERN CC(C)C[C@@](C)(C#N)NC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000737823600 637367224 /nfs/dbraw/zinc/36/72/24/637367224.db2.gz UBFARIJDZHCZSF-INIZCTEOSA-N 0 0 315.352 2.465 10 30 DEEERN C#CCCOC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000727042816 637597564 /nfs/dbraw/zinc/59/75/64/637597564.db2.gz SANGNKXWZPQGAO-ZDUSSCGKSA-N 0 0 305.761 2.255 10 30 DEEERN COC[C@@H]1CN(Cc2cc(Cl)ccc2OCC#N)CCO1 ZINC000741794255 638015250 /nfs/dbraw/zinc/01/52/50/638015250.db2.gz GZQGYEZYSXSJJT-AWEZNQCLSA-N 0 0 310.781 2.090 10 30 DEEERN C#CCN(CC#CC)C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000742001024 638031315 /nfs/dbraw/zinc/03/13/15/638031315.db2.gz QLPJTTRNMDDUOT-OAHLLOKOSA-N 0 0 318.417 2.119 10 30 DEEERN C#CCCN1CCN(S(=O)(=O)c2cccc(C(C)C)c2)CC1 ZINC000742282131 638056624 /nfs/dbraw/zinc/05/66/24/638056624.db2.gz MLLVNIKCTNINRG-UHFFFAOYSA-N 0 0 320.458 2.140 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N(C)Cc1cnccn1 ZINC000743199527 638123993 /nfs/dbraw/zinc/12/39/93/638123993.db2.gz FZMRLTLZSWDAHO-UHFFFAOYSA-N 0 0 314.320 2.292 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)OCC3(CC#N)CC3)cc2C1=O ZINC000744278709 638206309 /nfs/dbraw/zinc/20/63/09/638206309.db2.gz QTEDVAYYNLSGGA-UHFFFAOYSA-N 0 0 324.336 2.319 10 30 DEEERN C=C(C)CCOC(=O)C1CCN(C(=O)c2cccnc2)CC1 ZINC000744305168 638208136 /nfs/dbraw/zinc/20/81/36/638208136.db2.gz QGOVOVFDTIBTII-UHFFFAOYSA-N 0 0 302.374 2.443 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1c[nH]nc1C(C)C ZINC000744731080 638241380 /nfs/dbraw/zinc/24/13/80/638241380.db2.gz GIQDWKIRKFSMKV-GFCCVEGCSA-N 0 0 305.378 2.279 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)CCN1C1CC1 ZINC000745874954 638295303 /nfs/dbraw/zinc/29/53/03/638295303.db2.gz AYAAFIIWUWLCPF-KCYZZUKISA-N 0 0 316.449 2.337 10 30 DEEERN C#CCNC(=O)[C@H](C)OC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000746090185 638310668 /nfs/dbraw/zinc/31/06/68/638310668.db2.gz SGXYABRZTOASBK-ZDUSSCGKSA-N 0 0 312.369 2.090 10 30 DEEERN COc1ccc(CNC(=O)Nc2nc(C)c(C)o2)cc1C#N ZINC000746668090 638366379 /nfs/dbraw/zinc/36/63/79/638366379.db2.gz GUDWJJPSNOBIGI-UHFFFAOYSA-N 0 0 300.318 2.493 10 30 DEEERN CCC[C@H](C)CS(=O)(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746679648 638368972 /nfs/dbraw/zinc/36/89/72/638368972.db2.gz AMSUAJLVJFJZDG-LBPRGKRZSA-N 0 0 310.419 2.422 10 30 DEEERN COc1ccc(CNC(=O)NCCc2nccs2)cc1C#N ZINC000746722645 638372852 /nfs/dbraw/zinc/37/28/52/638372852.db2.gz LHGZUQXGVATALO-UHFFFAOYSA-N 0 0 316.386 2.065 10 30 DEEERN COc1ccc(CNC(=O)CCn2nc(C)cc2C)cc1C#N ZINC000746885688 638384775 /nfs/dbraw/zinc/38/47/75/638384775.db2.gz AOPUJTKSCWTLJA-UHFFFAOYSA-N 0 0 312.373 2.087 10 30 DEEERN C=CCNc1ncc(C(=O)OCc2ccnc(C#N)c2)s1 ZINC000747091233 638406504 /nfs/dbraw/zinc/40/65/04/638406504.db2.gz ZEYFDDZBJDDTMW-UHFFFAOYSA-N 0 0 300.343 2.365 10 30 DEEERN C=CCN(C(C)C)S(=O)(=O)c1ccc(/C=C/C(=O)OC)cc1 ZINC000747250064 638422767 /nfs/dbraw/zinc/42/27/67/638422767.db2.gz HOEDYFDKVCJOSJ-DHZHZOJOSA-N 0 0 323.414 2.458 10 30 DEEERN COc1ccc(CNC(=O)c2cccc3c[nH]nc32)cc1C#N ZINC000747446997 638438720 /nfs/dbraw/zinc/43/87/20/638438720.db2.gz QHKWXWZACMLJPG-UHFFFAOYSA-N 0 0 306.325 2.373 10 30 DEEERN CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000747968305 638495712 /nfs/dbraw/zinc/49/57/12/638495712.db2.gz WTIGEHAEWPHQQY-NSHDSACASA-N 0 0 309.797 2.056 10 30 DEEERN N#Cc1cccc(CC(=O)O[C@H]2CCN(c3ccccc3)C2=O)c1 ZINC000750433545 638745030 /nfs/dbraw/zinc/74/50/30/638745030.db2.gz BJIVNFZCOJLEDR-KRWDZBQOSA-N 0 0 320.348 2.449 10 30 DEEERN CCOC(=O)[C@H](CC1CC1)NC(=O)c1cccc(CC#N)c1 ZINC000752386780 639179693 /nfs/dbraw/zinc/17/96/93/639179693.db2.gz ICUFZGRVIKZYFU-HNNXBMFYSA-N 0 0 300.358 2.214 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)(C)C ZINC000805146859 639840931 /nfs/dbraw/zinc/84/09/31/639840931.db2.gz NZJCZEHORVYXIH-OAHLLOKOSA-N 0 0 323.414 2.174 10 30 DEEERN C=CCCCCCCNC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000805190516 640139072 /nfs/dbraw/zinc/13/90/72/640139072.db2.gz QKVMQLDWZOYITA-ZNMIVQPWSA-N 0 0 307.438 2.431 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](CO)CC1CC1 ZINC000805781885 643247938 /nfs/dbraw/zinc/24/79/38/643247938.db2.gz DIZCPYPKQKUUPC-IRXDYDNUSA-N 0 0 300.402 2.081 10 30 DEEERN COC(=O)c1ccoc1C(=O)OCc1ccc(C#N)cc1F ZINC000800264947 645248144 /nfs/dbraw/zinc/24/81/44/645248144.db2.gz NIEOZDOPPKHFIN-UHFFFAOYSA-N 0 0 303.245 2.434 10 30 DEEERN C#C[C@@H](NC(=O)Nc1cc(OC)cc(OC)c1C)[C@H]1CCCO1 ZINC000800573155 645288773 /nfs/dbraw/zinc/28/87/73/645288773.db2.gz MOSWMMMHJGPYHE-UKRRQHHQSA-N 0 0 318.373 2.315 10 30 DEEERN C[C@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccsc1 ZINC000801066170 645337083 /nfs/dbraw/zinc/33/70/83/645337083.db2.gz NVYABMYLNWPCRJ-FZMZJTMJSA-N 0 0 304.419 2.191 10 30 DEEERN CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000121547002 651004643 /nfs/dbraw/zinc/00/46/43/651004643.db2.gz XGLJPOPYJORBHL-NILFDRSVSA-N 0 0 300.358 2.464 10 30 DEEERN CCOC(=O)[C@@H]1CCC(=NNCCCOC)c2ccccc21 ZINC000802713667 645546005 /nfs/dbraw/zinc/54/60/05/645546005.db2.gz QYMNVMXAZXCLIY-OAHLLOKOSA-N 0 0 304.390 2.457 10 30 DEEERN CCN1CC[C@H](NC(=S)Nc2ccc(C#N)c(Cl)c2)C1=O ZINC000802718700 645547328 /nfs/dbraw/zinc/54/73/28/645547328.db2.gz GNQQWXHSPGZMNA-LBPRGKRZSA-N 0 0 322.821 2.119 10 30 DEEERN C=CCOc1cccnc1C(=O)OCCCc1nccn1C ZINC000802783942 645558041 /nfs/dbraw/zinc/55/80/41/645558041.db2.gz HLAZXQRRJGNMKF-UHFFFAOYSA-N 0 0 301.346 2.170 10 30 DEEERN C#C[C@@H](C)Oc1ccc(COC(=O)C[C@H]2COC(=O)C2)cc1 ZINC000802808643 645562043 /nfs/dbraw/zinc/56/20/43/645562043.db2.gz OKABOVWYFUODKY-TZMCWYRMSA-N 0 0 302.326 2.084 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)c1[nH]c2ccccc2c1OC ZINC000802880999 645573468 /nfs/dbraw/zinc/57/34/68/645573468.db2.gz IYFAUNLXHRJOIJ-UHFFFAOYSA-N 0 0 316.357 2.368 10 30 DEEERN C#CC(=O)N(CCNC(=O)OC(C)(C)C)CCc1ccccc1 ZINC000803649778 645677998 /nfs/dbraw/zinc/67/79/98/645677998.db2.gz OINSMDCITYBQKC-UHFFFAOYSA-N 0 0 316.401 2.216 10 30 DEEERN C#CCC(CC#C)C(=O)OCCOCc1ccc(OC)cc1 ZINC000803699233 645681477 /nfs/dbraw/zinc/68/14/77/645681477.db2.gz WPBUJHLRGWACOV-UHFFFAOYSA-N 0 0 300.354 2.418 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000803700545 645682491 /nfs/dbraw/zinc/68/24/91/645682491.db2.gz VBRWYKODTTZTHL-GOEBONIOSA-N 0 0 303.402 2.230 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000803700096 645682846 /nfs/dbraw/zinc/68/28/46/645682846.db2.gz BREOQOUZXYBLOF-UHFFFAOYSA-N 0 0 313.353 2.223 10 30 DEEERN C=CCN1CC[C@H](OC(=O)c2[nH]c3ccccc3c2OC)C1=O ZINC000803816151 645700767 /nfs/dbraw/zinc/70/07/67/645700767.db2.gz LCHLRYBJMPGULF-ZDUSSCGKSA-N 0 0 314.341 2.120 10 30 DEEERN C=C(COC(=O)c1c(C)onc1-c1cccnc1)C(=O)OCC ZINC000803824317 645701837 /nfs/dbraw/zinc/70/18/37/645701837.db2.gz IPAAFJPJYJYBKH-UHFFFAOYSA-N 0 0 316.313 2.321 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1nc(CC)oc1C ZINC000803913621 645715795 /nfs/dbraw/zinc/71/57/95/645715795.db2.gz KOLHBBJXUQKESJ-GFCCVEGCSA-N 0 0 306.362 2.291 10 30 DEEERN C#CCN(C(=O)C(=O)N[C@H](C)c1cccc(C#N)c1)C1CCCC1 ZINC000804402250 645766940 /nfs/dbraw/zinc/76/69/40/645766940.db2.gz JDNAZCZDEYEJOM-CQSZACIVSA-N 0 0 323.396 2.140 10 30 DEEERN Cc1cc(C#N)nc(NCCN(C(=O)OC(C)(C)C)C2CC2)n1 ZINC000804424917 645768473 /nfs/dbraw/zinc/76/84/73/645768473.db2.gz KJCQZAYYYRGYNY-UHFFFAOYSA-N 0 0 317.393 2.468 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCNC(=O)C(C)(C)C ZINC000804452743 645773284 /nfs/dbraw/zinc/77/32/84/645773284.db2.gz MLTNQOGPIZWNTE-INIZCTEOSA-N 0 0 314.429 2.290 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)C(F)(F)C1(O)CCC1 ZINC000804454320 645774044 /nfs/dbraw/zinc/77/40/44/645774044.db2.gz OHPXYVTVARCMEN-CQSZACIVSA-N 0 0 307.340 2.288 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(COC)ncn1 ZINC000806357035 645821640 /nfs/dbraw/zinc/82/16/40/645821640.db2.gz IRUOINJTLRAEGL-HNNXBMFYSA-N 0 0 324.384 2.379 10 30 DEEERN COC[C@H](C)C(=O)OCCOc1c(C#N)cnc2ccccc21 ZINC000103701643 645881734 /nfs/dbraw/zinc/88/17/34/645881734.db2.gz WWVFEWTWBWXHNH-LBPRGKRZSA-N 0 0 314.341 2.311 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000807065483 645908415 /nfs/dbraw/zinc/90/84/15/645908415.db2.gz GQRCJSIWWVOHJF-HNNXBMFYSA-N 0 0 316.401 2.420 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cccc(N(C)C(=O)NCC)c1 ZINC000807450603 645952331 /nfs/dbraw/zinc/95/23/31/645952331.db2.gz DJRORBBOUAFOTG-UHFFFAOYSA-N 0 0 311.385 2.454 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(CC=C)CCOC ZINC000807466481 645954326 /nfs/dbraw/zinc/95/43/26/645954326.db2.gz BGIQACZASBBGJC-QGZVFWFLSA-N 0 0 300.402 2.465 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@@H]1CCCOC1 ZINC000807468538 645954391 /nfs/dbraw/zinc/95/43/91/645954391.db2.gz WYFRURUBHFXCPZ-DLBZAZTESA-N 0 0 300.402 2.441 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@]1(C)CCCOC1 ZINC000807467544 645954705 /nfs/dbraw/zinc/95/47/05/645954705.db2.gz SVTAWPRYDGKDGJ-FUHWJXTLSA-N 0 0 300.402 2.489 10 30 DEEERN N#C[C@H](C(=O)CSCC(F)(F)F)C(=O)NC1CCCCC1 ZINC000156041920 646059609 /nfs/dbraw/zinc/05/96/09/646059609.db2.gz UZYIRZIMNQFYDV-SNVBAGLBSA-N 0 0 322.352 2.440 10 30 DEEERN C#CCCOC(=O)[C@H]1CC(=O)N(c2ccccc2OCC)C1 ZINC000170718912 646661358 /nfs/dbraw/zinc/66/13/58/646661358.db2.gz AYQZJROORYKPHP-ZDUSSCGKSA-N 0 0 301.342 2.005 10 30 DEEERN COC(=O)N[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)C(C)C ZINC000171777153 646712579 /nfs/dbraw/zinc/71/25/79/646712579.db2.gz GAKWFWZMEXZIDV-ZWNOBZJWSA-N 0 0 315.329 2.385 10 30 DEEERN C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)CC1CC1 ZINC000748055071 646739950 /nfs/dbraw/zinc/73/99/50/646739950.db2.gz KWZUZVKRUIAOQP-UHFFFAOYSA-N 0 0 310.371 2.355 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2ccc(Cl)nc2)cc1 ZINC000173898064 646783104 /nfs/dbraw/zinc/78/31/04/646783104.db2.gz IBVXSVMQLPPKKR-UHFFFAOYSA-N 0 0 301.733 2.415 10 30 DEEERN C#C[C@H](OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C1CC1 ZINC000152442803 647165610 /nfs/dbraw/zinc/16/56/10/647165610.db2.gz WXMVJDVFKDMIML-LBPRGKRZSA-N 0 0 314.309 2.252 10 30 DEEERN Cc1cccc([C@@H](O)CNC(=O)[C@@H](C)Oc2ccccc2C#N)c1 ZINC000153542803 647504709 /nfs/dbraw/zinc/50/47/09/647504709.db2.gz FCJYTAWEUZSXGN-PBHICJAKSA-N 0 0 324.380 2.484 10 30 DEEERN N#C[C@H]1CN(C(=S)Nc2ccccc2F)CCN1C1CC1 ZINC000732625592 647633004 /nfs/dbraw/zinc/63/30/04/647633004.db2.gz KASTUJISTGJGEC-LBPRGKRZSA-N 0 0 304.394 2.195 10 30 DEEERN C[C@@H](NC(=S)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000732626044 647633150 /nfs/dbraw/zinc/63/31/50/647633150.db2.gz RMPHUZXKERMFQL-CJNGLKHVSA-N 0 0 314.458 2.294 10 30 DEEERN N#C[C@@H]1CN(C(=O)/C=C\Sc2ccccc2)CCN1C1CC1 ZINC000732652286 647637546 /nfs/dbraw/zinc/63/75/46/647637546.db2.gz UNMGGFDEOPMZMR-MEODZPNASA-N 0 0 313.426 2.491 10 30 DEEERN C[C@@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000732700974 647643584 /nfs/dbraw/zinc/64/35/84/647643584.db2.gz NDINUHKZGPMZQD-YOEHRIQHSA-N 0 0 312.417 2.172 10 30 DEEERN CCNC(=O)NCCCOC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180044061 648451623 /nfs/dbraw/zinc/45/16/23/648451623.db2.gz RGCLCMWLFUKVRO-UHFFFAOYSA-N 0 0 315.373 2.108 10 30 DEEERN C=C[C@H](CC)OC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 ZINC000181243424 648592539 /nfs/dbraw/zinc/59/25/39/648592539.db2.gz BEKLZRKVZIHRRQ-NMKXLXIOSA-N 0 0 312.435 2.220 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)OCCOCC(F)(F)F ZINC000069658524 648718940 /nfs/dbraw/zinc/71/89/40/648718940.db2.gz UPCRSZJTPYWVBY-JTQLQIEISA-N 0 0 317.263 2.448 10 30 DEEERN CC(=O)N[C@H](CC(=O)OCC1(C#N)CCC1)c1ccccc1 ZINC000183923350 649201531 /nfs/dbraw/zinc/20/15/31/649201531.db2.gz YIKNRIHAOIYPQV-OAHLLOKOSA-N 0 0 300.358 2.491 10 30 DEEERN CN(CC1CC1)C(=O)CON=CC(=O)Nc1ccccc1Cl ZINC000733192157 649451426 /nfs/dbraw/zinc/45/14/26/649451426.db2.gz ZNAIZMMCWRXNOC-UHFFFAOYSA-N 0 0 323.780 2.149 10 30 DEEERN C#CCCNS(=O)(=O)/C=C\c1ccccc1Br ZINC000733322383 649542413 /nfs/dbraw/zinc/54/24/13/649542413.db2.gz TZXRVGSMKVCMMO-NTMALXAHSA-N 0 0 314.204 2.363 10 30 DEEERN C#CCOc1cccc(COC(=O)[C@H](C)OC[C@@H]2CCCO2)c1 ZINC000107021513 651408299 /nfs/dbraw/zinc/40/82/99/651408299.db2.gz HIIPVIHMQHNGLU-YOEHRIQHSA-N 0 0 318.369 2.326 10 30 DEEERN C=CCNC(=O)CNC(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC000393841430 685454443 /nfs/dbraw/zinc/45/44/43/685454443.db2.gz ZHQHXSYLYQYVPL-UHFFFAOYSA-N 0 0 309.797 2.065 10 30 DEEERN COc1cccc(/C=N/[C@@H]2CCCN(c3ncccn3)C2)c1O ZINC000044012274 683901571 /nfs/dbraw/zinc/90/15/71/683901571.db2.gz GHAWYADQLKBEHF-XLTHYULKSA-N 0 0 312.373 2.279 10 30 DEEERN CC(C)CC[C@](C)(O)CNC(=O)Cc1ccc(OCC#N)cc1 ZINC000075124745 683934513 /nfs/dbraw/zinc/93/45/13/683934513.db2.gz ACPMHINRASGOAG-SFHVURJKSA-N 0 0 318.417 2.435 10 30 DEEERN C#CCOc1ccc(C(=O)N(C)c2cccnc2N(C)C)cc1 ZINC000079722760 683975041 /nfs/dbraw/zinc/97/50/41/683975041.db2.gz PSXHDAKALPNXTH-UHFFFAOYSA-N 0 0 309.369 2.436 10 30 DEEERN C[C@H]1CN(c2ccc(NC(=O)c3cc(C#N)cn3C)cc2)CCO1 ZINC000081547431 683991716 /nfs/dbraw/zinc/99/17/16/683991716.db2.gz XCOPECMSOGRRQY-ZDUSSCGKSA-N 0 0 324.384 2.374 10 30 DEEERN C#CC[C@@H](OC(=O)CCOC1CCOCC1)c1ccccn1 ZINC000084694235 684004933 /nfs/dbraw/zinc/00/49/33/684004933.db2.gz HKEVELOBFYESEY-MRXNPFEDSA-N 0 0 303.358 2.275 10 30 DEEERN CCOc1cc2c(cc1/C=C/C(=O)N[C@H](C)C#N)O[C@H](C)C2 ZINC000125918737 684149745 /nfs/dbraw/zinc/14/97/45/684149745.db2.gz QUDJLPRGZDSTRQ-IEVRTODYSA-N 0 0 300.358 2.450 10 30 DEEERN N#CCOc1cccc(CC(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000129293252 684178066 /nfs/dbraw/zinc/17/80/66/684178066.db2.gz NVRDJDTXKNPHBD-MRXNPFEDSA-N 0 0 324.384 2.019 10 30 DEEERN C[C@H](O)C1CCN(C(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC000135292879 684234190 /nfs/dbraw/zinc/23/41/90/684234190.db2.gz NXAVVJSVXQDTMA-NSHDSACASA-N 0 0 321.352 2.353 10 30 DEEERN C#CC[C@@H](OC(=O)c1cccc(S(=O)(=O)CC)c1)C1CC1 ZINC000136352730 684239503 /nfs/dbraw/zinc/23/95/03/684239503.db2.gz TYQUJJZWWYQVEG-OAHLLOKOSA-N 0 0 306.383 2.439 10 30 DEEERN CNC(=O)C(C#N)=C(O)C=Cc1ccc2ccc(Cl)cc2n1 ZINC000136790681 684241929 /nfs/dbraw/zinc/24/19/29/684241929.db2.gz DFLUKQJRHSNKOT-KTRBRXNASA-N 0 0 313.744 2.356 10 30 DEEERN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)O[C@@H](C#N)C1CC1 ZINC000155790131 684280171 /nfs/dbraw/zinc/28/01/71/684280171.db2.gz CYQBTLJHNSJKFC-LBPRGKRZSA-N 0 0 315.295 2.450 10 30 DEEERN C=CCOCCCC(=O)O[C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000187654106 684341632 /nfs/dbraw/zinc/34/16/32/684341632.db2.gz NTDBHRGWULVTSX-LSDHHAIUSA-N 0 0 312.406 2.487 10 30 DEEERN CCOC[C@@H](C)OC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000190730505 684413215 /nfs/dbraw/zinc/41/32/15/684413215.db2.gz YVLDJTQIZWTASC-GFCCVEGCSA-N 0 0 307.394 2.314 10 30 DEEERN Cc1nn(C)c(C)c1CCNC(=O)/C=C/c1ccccc1C#N ZINC000193304896 685036988 /nfs/dbraw/zinc/03/69/88/685036988.db2.gz CKLPNDPJBNXEKK-CMDGGOBGSA-N 0 0 308.385 2.281 10 30 DEEERN O=S(=O)(OCC(F)(F)F)c1c(Cl)nc2ccccn21 ZINC000193710841 685047466 /nfs/dbraw/zinc/04/74/66/685047466.db2.gz PCGNOOCDYKTDEO-UHFFFAOYSA-N 0 0 314.672 2.255 10 30 DEEERN CCCCCCCS(=O)(=O)N1CCC[C@]1(C)C(=O)OC ZINC000195462238 685100185 /nfs/dbraw/zinc/10/01/85/685100185.db2.gz KXFLOABLDHIHAM-CQSZACIVSA-N 0 0 305.440 2.314 10 30 DEEERN N#Cc1ccccc1/C=C\C(=O)N1CCN[C@H](c2ccncc2)C1 ZINC000886041116 691990497 /nfs/dbraw/zinc/99/04/97/691990497.db2.gz VEQGOLYCLMNVTK-XFHJGTJQSA-N 0 0 318.380 2.140 10 30 DEEERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1sccc1C#N ZINC000588433716 777170687 /nfs/dbraw/zinc/17/06/87/777170687.db2.gz DFPJRWJVKHLZOS-PLNGDYQASA-N 0 0 321.402 2.430 10 30 DEEERN CCN(C)C(=O)Cn1c(C)csc1=Nc1ccccc1C#N ZINC000588508439 777320705 /nfs/dbraw/zinc/32/07/05/777320705.db2.gz AISBIAPASVPZHJ-UHFFFAOYSA-N 0 0 314.414 2.440 10 30 DEEERN N#Cc1cccc(S(=O)(=O)CCN2CCC=C(Cl)C2)c1 ZINC000404423443 777456765 /nfs/dbraw/zinc/45/67/65/777456765.db2.gz KNIVZWVJTFINNM-UHFFFAOYSA-N 0 0 310.806 2.160 10 30 DEEERN C#Cc1ccc(C(=O)OCC(=O)N(CC)Cc2ccccc2)nc1 ZINC000729011677 778921574 /nfs/dbraw/zinc/92/15/74/778921574.db2.gz AUNPACGZWVVCCT-UHFFFAOYSA-N 0 0 322.364 2.268 10 30 DEEERN C=C[C@H](NCCc1sccc1Br)C(=O)OC ZINC000713051948 792212853 /nfs/dbraw/zinc/21/28/53/792212853.db2.gz FWJSQGTVNYHLLM-VIFPVBQESA-N 0 0 304.209 2.370 10 30 DEEERN C=CCCC(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000161876580 798857327 /nfs/dbraw/zinc/85/73/27/798857327.db2.gz VJWNKTXCRGMSHR-DLBZAZTESA-N 0 0 300.402 2.064 10 30 DEEERN N#C[C@@H]1CCCN(C(=O)c2nscc2Br)C1 ZINC000404792026 802031138 /nfs/dbraw/zinc/03/11/38/802031138.db2.gz RMUYZLQJVGJXFR-ZETCQYMHSA-N 0 0 300.181 2.281 10 30 DEEERN C#CC1(O)CCN(C(=O)c2ccc(C)c(Br)c2)CC1 ZINC000708136549 1086676704 /nfs/dbraw/zinc/67/67/04/1086676704.db2.gz HSBKPDAROINMFB-UHFFFAOYSA-N 0 0 322.202 2.358 10 30 DEEERN C#CC1(O)CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000708147705 1086677024 /nfs/dbraw/zinc/67/70/24/1086677024.db2.gz BQWXADRBGSLILG-UHFFFAOYSA-N 0 0 323.190 2.441 10 30 DEEERN C#CC1(O)CCN(C(=O)CSc2ccc(Cl)cc2)CC1 ZINC000708126654 1086677168 /nfs/dbraw/zinc/67/71/68/1086677168.db2.gz DCEFXBZAEAMYQZ-UHFFFAOYSA-N 0 0 309.818 2.419 10 30 DEEERN C#CC1(O)CCN(C(=O)c2sccc2Br)CC1 ZINC000708153557 1086677276 /nfs/dbraw/zinc/67/72/76/1086677276.db2.gz VXRHRZWMDRMWBF-UHFFFAOYSA-N 0 0 314.204 2.111 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)N2CCC[C@H](CF)C2)c1 ZINC000711447242 1087114573 /nfs/dbraw/zinc/11/45/73/1087114573.db2.gz JAFVCRSNLOMMIY-SNVBAGLBSA-N 0 0 300.330 2.068 10 30 DEEERN C#C[C@H](CO)NC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000718172734 1088398526 /nfs/dbraw/zinc/39/85/26/1088398526.db2.gz MAUXVFGAVZDEJG-ZWNOBZJWSA-N 0 0 310.191 2.053 10 30 DEEERN CC#CC[C@H](CO)NCc1nc(C)c(Br)s1 ZINC000719277750 1088921814 /nfs/dbraw/zinc/92/18/14/1088921814.db2.gz JIHDYYPNUVLBAJ-SECBINFHSA-N 0 0 303.225 2.078 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)NCC[C@@H]2CCCS2)c1 ZINC000719989459 1089423075 /nfs/dbraw/zinc/42/30/75/1089423075.db2.gz JCLWKYHHOSXXJS-LBPRGKRZSA-N 0 0 314.407 2.261 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)N2CCCC(F)(F)C2)c1 ZINC000720008695 1089424254 /nfs/dbraw/zinc/42/42/54/1089424254.db2.gz FZRPHGQTEHPMRU-UHFFFAOYSA-N 0 0 304.293 2.117 10 30 DEEERN CC[C@@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)CCS1 ZINC000720035897 1089428359 /nfs/dbraw/zinc/42/83/59/1089428359.db2.gz GNZPIUVVNRWJSZ-GFCCVEGCSA-N 0 0 314.407 2.213 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000278282870 214066376 /nfs/dbraw/zinc/06/63/76/214066376.db2.gz QBYZYWZZCHVDKS-IAGOWNOFSA-N 0 0 300.402 2.316 10 30 DEEERN C=CCn1c(-c2ccccn2)nnc1N1CC[C@@H](CO)C[C@H]1C ZINC000624812648 365557902 /nfs/dbraw/zinc/55/79/02/365557902.db2.gz RYIUGRVHXPSJMO-ZIAGYGMSSA-N 0 0 313.405 2.123 10 30 DEEERN C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1C[C@H]2COC[C@@]2(C)C1 ZINC000624842899 365568706 /nfs/dbraw/zinc/56/87/06/365568706.db2.gz FADJMXRAQUGOMY-UMPJEAMMSA-N 0 0 318.421 2.177 10 30 DEEERN COc1ccsc1C(=O)Nc1ccc(C#CCO)cc1F ZINC000162161060 197549642 /nfs/dbraw/zinc/54/96/42/197549642.db2.gz DDTOMSUKPOJSES-UHFFFAOYSA-N 0 0 305.330 2.492 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000076959303 185060935 /nfs/dbraw/zinc/06/09/35/185060935.db2.gz IJXANRHYWHNWHU-OLZOCXBDSA-N 0 0 309.410 2.252 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(F)c(OC)cc1F ZINC000612326169 361793883 /nfs/dbraw/zinc/79/38/83/361793883.db2.gz GKCVNKYAEANZIP-CYBMUJFWSA-N 0 0 312.316 2.383 10 30 DEEERN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](CCF)C1 ZINC000624965473 365602103 /nfs/dbraw/zinc/60/21/03/365602103.db2.gz DAMHPISFHCQNRN-ZDUSSCGKSA-N 0 0 319.384 2.414 10 30 DEEERN C=CC[C@@H](C)NS(=O)(=O)C[C@H](Cc1ccc(F)cc1)OC ZINC000624973522 365603080 /nfs/dbraw/zinc/60/30/80/365603080.db2.gz HAWZMJYECWAVNC-DOMZBBRYSA-N 0 0 315.410 2.267 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](CCF)C1 ZINC000624973680 365603186 /nfs/dbraw/zinc/60/31/86/365603186.db2.gz HUCRYQKFCZJMME-UONOGXRCSA-N 0 0 324.400 2.271 10 30 DEEERN C=C(C)Cn1c(N(C)CC2(C)COC2)nnc1[C@@]1(C)CCCO1 ZINC000624972684 365603445 /nfs/dbraw/zinc/60/34/45/365603445.db2.gz BLEGGDMTCVDYEZ-QGZVFWFLSA-N 0 0 320.437 2.353 10 30 DEEERN C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000624984635 365606238 /nfs/dbraw/zinc/60/62/38/365606238.db2.gz JYRMCWIJUSNXIN-APIJFGDWSA-N 0 0 318.421 2.462 10 30 DEEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N(CC)[C@@H]1CCCOC1 ZINC000624998258 365610337 /nfs/dbraw/zinc/61/03/37/365610337.db2.gz SYWTXDJXPNJYIL-CQSZACIVSA-N 0 0 316.409 2.250 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000612426894 361824611 /nfs/dbraw/zinc/82/46/11/361824611.db2.gz RRRDGRAFCCXJMY-WCVJEAGWSA-N 0 0 322.449 2.311 10 30 DEEERN CC(=O)c1cccn1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000163370690 197626794 /nfs/dbraw/zinc/62/67/94/197626794.db2.gz NLBQNIMSNBXIFJ-UHFFFAOYSA-N 0 0 302.355 2.036 10 30 DEEERN COC(=O)[C@@H](C)CSCC(=O)NC1(C#N)CCCCCC1 ZINC000078826382 185116704 /nfs/dbraw/zinc/11/67/04/185116704.db2.gz RJCZXXMSCQEQKI-LBPRGKRZSA-N 0 0 312.435 2.261 10 30 DEEERN Cn1nc(CNC(=O)N2CCC(C)(C#N)CC2)c2ccccc21 ZINC000612709307 361898948 /nfs/dbraw/zinc/89/89/48/361898948.db2.gz GWMJWIUTQJIXIQ-UHFFFAOYSA-N 0 0 311.389 2.409 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCOc1ccc(F)c(F)c1 ZINC000278674778 214317489 /nfs/dbraw/zinc/31/74/89/214317489.db2.gz HCJBGAPJYYMEKO-IUODEOHRSA-N 0 0 311.328 2.441 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCC1Cc2ccccc2C1 ZINC000612993510 361974444 /nfs/dbraw/zinc/97/44/44/361974444.db2.gz DFGORGIPTCHVLK-SFHVURJKSA-N 0 0 314.429 2.379 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000278748559 214373456 /nfs/dbraw/zinc/37/34/56/214373456.db2.gz JHBMAASIIQUZTG-HUUCEWRRSA-N 0 0 312.373 2.402 10 30 DEEERN C[C@H]1CC[S@](=O)CCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000407953835 290643999 /nfs/dbraw/zinc/64/39/99/290643999.db2.gz MTFMSNXWLTUNHJ-FPVGNUTFSA-N 0 0 317.336 2.319 10 30 DEEERN Cc1ncsc1CNC(=O)c1cc(C#CCO)ccc1C ZINC000087746335 185231169 /nfs/dbraw/zinc/23/11/69/185231169.db2.gz IGDHBVYCUDWWKJ-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN Cc1ccc(C#CCO)cc1C(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000087746404 185231200 /nfs/dbraw/zinc/23/12/00/185231200.db2.gz CEOWXABOLFCBKL-ZIAGYGMSSA-N 0 0 303.427 2.305 10 30 DEEERN N#CCCCS(=O)(=O)c1ccc(Br)cc1N ZINC000088064677 185238575 /nfs/dbraw/zinc/23/85/75/185238575.db2.gz HTVOBOGSKCUKTF-UHFFFAOYSA-N 0 0 303.181 2.109 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H](C2(C)OCCO2)C1 ZINC000181337700 199282240 /nfs/dbraw/zinc/28/22/40/199282240.db2.gz YWQWWUMQDMPJQE-OAHLLOKOSA-N 0 0 314.385 2.482 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C[C@@H](C)c1nccs1 ZINC000613468699 362121754 /nfs/dbraw/zinc/12/17/54/362121754.db2.gz VKCKGKLAXWVWPA-YPMHNXCESA-N 0 0 309.435 2.176 10 30 DEEERN CC(C)(C)OC(=O)CS(=O)(=O)[C@@H]1CCCCC[C@H]1C#N ZINC000166989295 197702786 /nfs/dbraw/zinc/70/27/86/197702786.db2.gz RQAGNNKENZBGSD-NWDGAFQWSA-N 0 0 301.408 2.215 10 30 DEEERN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000374451953 295693715 /nfs/dbraw/zinc/69/37/15/295693715.db2.gz WZTCTBJUYMJSKM-LSDHHAIUSA-N 0 0 311.451 2.145 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)c1ccc(Cl)cn1 ZINC000613766761 362204052 /nfs/dbraw/zinc/20/40/52/362204052.db2.gz QURJKQBDNRKOII-YGRLFVJLSA-N 0 0 309.797 2.383 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cc(OC)ccc2OC)C1 ZINC000625349819 365742376 /nfs/dbraw/zinc/74/23/76/365742376.db2.gz GJWKZMMTSAUXBE-GFCCVEGCSA-N 0 0 311.403 2.291 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2c(OC)cccc2OC)C1 ZINC000625354210 365743823 /nfs/dbraw/zinc/74/38/23/365743823.db2.gz INBHNNVFOOVGNF-LBPRGKRZSA-N 0 0 311.403 2.291 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cnc3onc(CC)c3c2)C1 ZINC000625356019 365745485 /nfs/dbraw/zinc/74/54/85/365745485.db2.gz YJHLBXZDKMAMLY-LLVKDONJSA-N 0 0 321.402 2.372 10 30 DEEERN Cc1ccc(CC(=O)N2CCN(Cc3ccc(C#N)o3)CC2)cc1 ZINC000092937480 185349929 /nfs/dbraw/zinc/34/99/29/185349929.db2.gz VMKVEEMAJVTQLN-UHFFFAOYSA-N 0 0 323.396 2.347 10 30 DEEERN N#Cc1ccc(NC(=O)c2cc(Cl)nc(NN)c2)c(F)c1 ZINC000168525805 197724572 /nfs/dbraw/zinc/72/45/72/197724572.db2.gz RKTWGFAXWNFJRK-UHFFFAOYSA-N 0 0 305.700 2.284 10 30 DEEERN C=CCN(CCOC)C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000613934701 362248096 /nfs/dbraw/zinc/24/80/96/362248096.db2.gz ZNIRRDZQIFKQMR-UHFFFAOYSA-N 0 0 316.401 2.215 10 30 DEEERN CN1CCc2ccc(NC(=O)N[C@@H]3CCC[C@H]3C#N)cc2C1=O ZINC000408234572 529813475 /nfs/dbraw/zinc/81/34/75/529813475.db2.gz FTTVDQJZEGNJFY-SWLSCSKDSA-N 0 0 312.373 2.128 10 30 DEEERN C=CCCCNC(=O)CN1CC[C@H](c2ccccc2)NC1=O ZINC000614208976 362316613 /nfs/dbraw/zinc/31/66/13/362316613.db2.gz BLHAMFKHTHUVNR-OAHLLOKOSA-N 0 0 301.390 2.225 10 30 DEEERN CN1C(=O)CC[C@H]1C(=O)Nc1ccc2nnc(C3CCC3)n2c1 ZINC000329373551 530042722 /nfs/dbraw/zinc/04/27/22/530042722.db2.gz JWUWRCWDRCGPJR-LBPRGKRZSA-N 0 0 313.361 2.206 10 30 DEEERN CN1CCN(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)C[C@@H]1C#N ZINC000333522853 530068876 /nfs/dbraw/zinc/06/88/76/530068876.db2.gz OGJGCKMUCCRFFS-JYJNAYRXSA-N 0 0 304.438 2.052 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc2oc(CO)cc2c1 ZINC000615301365 362578881 /nfs/dbraw/zinc/57/88/81/362578881.db2.gz LHDOIAGYUZTCHL-OAHLLOKOSA-N 0 0 316.357 2.335 10 30 DEEERN C=C[C@@H](O)C(=O)NC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000615467075 362614220 /nfs/dbraw/zinc/61/42/20/362614220.db2.gz QFHWPLLZUITHOI-LLVKDONJSA-N 0 0 301.264 2.237 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]2c2ccccc2)cn1 ZINC000111358441 185587793 /nfs/dbraw/zinc/58/77/93/185587793.db2.gz ISULPSQEXNRHDJ-CZUORRHYSA-N 0 0 313.382 2.035 10 30 DEEERN CC(C)(C)c1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C#N ZINC000111467228 185606949 /nfs/dbraw/zinc/60/69/49/185606949.db2.gz PIXFBPZFQWWFFX-QMMMGPOBSA-N 0 0 301.799 2.065 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(CCOC)[C@H]1CC[C@H](C)C1 ZINC000625589472 365843560 /nfs/dbraw/zinc/84/35/60/365843560.db2.gz LAZMVHHERIWLFP-GJZGRUSLSA-N 0 0 324.465 2.369 10 30 DEEERN COC(=O)CCN1C(=O)c2ccc(C(F)(F)F)cc2C1C#N ZINC000071680963 191006461 /nfs/dbraw/zinc/00/64/61/191006461.db2.gz XWUQQMFSPNHGBW-NSHDSACASA-N 0 0 312.247 2.289 10 30 DEEERN C[C@H]1SCCN(C(=O)c2ccc(F)cc2C#CCO)[C@@H]1C ZINC000133652554 186003322 /nfs/dbraw/zinc/00/33/22/186003322.db2.gz NYZSGBXSWCKAMI-VXGBXAGGSA-N 0 0 307.390 2.136 10 30 DEEERN C[C@@H]1[C@H](C)SCCN1C(=O)c1ccc(C#CCO)c(F)c1 ZINC000133637532 186001564 /nfs/dbraw/zinc/00/15/64/186001564.db2.gz OHPZGJUIUNWMFJ-NEPJUHHUSA-N 0 0 307.390 2.136 10 30 DEEERN CN[C@@H](C#N)CCOc1c(Br)cccc1[N+](=O)[O-] ZINC000133641692 186002099 /nfs/dbraw/zinc/00/20/99/186002099.db2.gz LWOORCKODSDVGL-MRVPVSSYSA-N 0 0 314.139 2.238 10 30 DEEERN CC[C@@H](NC(=O)c1ccc(C#CCCO)s1)c1ncc[nH]1 ZINC000141593775 186030789 /nfs/dbraw/zinc/03/07/89/186030789.db2.gz BGWPKSUCNPMBKW-GFCCVEGCSA-N 0 0 303.387 2.086 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(N)cc(Br)c1 ZINC000147762843 186041263 /nfs/dbraw/zinc/04/12/63/186041263.db2.gz OYOYPCCPFURPIZ-PELKAZGASA-N 0 0 308.179 2.453 10 30 DEEERN CSc1nc(N)cc(Oc2ccc(C#N)cc2[N+](=O)[O-])n1 ZINC000148225798 186043721 /nfs/dbraw/zinc/04/37/21/186043721.db2.gz BSFOHBASYRERTL-UHFFFAOYSA-N 0 0 303.303 2.353 10 30 DEEERN C#CCOCCC(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000152675291 186096277 /nfs/dbraw/zinc/09/62/77/186096277.db2.gz HEFXXMGZJWXEGV-GOEBONIOSA-N 0 0 301.386 2.440 10 30 DEEERN C=C(C)COCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1F ZINC000164173892 186151130 /nfs/dbraw/zinc/15/11/30/186151130.db2.gz QBWAKLZESAMPHT-UHFFFAOYSA-N 0 0 300.261 2.196 10 30 DEEERN COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cccc(C#N)c1 ZINC000181903381 186217058 /nfs/dbraw/zinc/21/70/58/186217058.db2.gz WOWTWIVRMUWXRD-SWLSCSKDSA-N 0 0 311.389 2.482 10 30 DEEERN Nn1c(SCC#Cc2ccccc2)nnc1[C@H]1CCCCO1 ZINC000188049497 186249848 /nfs/dbraw/zinc/24/98/48/186249848.db2.gz KRHHHAHRPYWQIV-CQSZACIVSA-N 0 0 314.414 2.377 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CC1(CS(C)(=O)=O)CC1 ZINC000617039449 363006742 /nfs/dbraw/zinc/00/67/42/363006742.db2.gz HMYPLQJUJFSKDP-ZIAGYGMSSA-N 0 0 313.463 2.452 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CCC[C@@]1(C)NC(=O)NC1=O ZINC000617040664 363006911 /nfs/dbraw/zinc/00/69/11/363006911.db2.gz XHAIAHYXSYODSS-PBFPGSCMSA-N 0 0 321.421 2.006 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(OCC(N)=O)c1 ZINC000617037570 363007032 /nfs/dbraw/zinc/00/70/32/363007032.db2.gz OOSGJPZVQCBBEC-XJKSGUPXSA-N 0 0 316.401 2.415 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cn(CC2(C)COC2)nn1 ZINC000617042983 363008070 /nfs/dbraw/zinc/00/80/70/363008070.db2.gz XWUJXVLECMANAY-UONOGXRCSA-N 0 0 318.421 2.179 10 30 DEEERN C=CCSCCNC(=O)N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000595491074 358463681 /nfs/dbraw/zinc/46/36/81/358463681.db2.gz HNDCFSIMMMCEIS-GWCFXTLKSA-N 0 0 308.394 2.360 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCc1cnc(C(F)(F)F)nc1)OCC ZINC000617222561 363056089 /nfs/dbraw/zinc/05/60/89/363056089.db2.gz PRVVWCVWZPUIHB-LLVKDONJSA-N 0 0 317.311 2.483 10 30 DEEERN C=CCCO[C@H](C)C(=O)NCc1cnc(C(F)(F)F)nc1 ZINC000617224601 363057081 /nfs/dbraw/zinc/05/70/81/363057081.db2.gz BYYOESIYTFOFRD-SECBINFHSA-N 0 0 303.284 2.093 10 30 DEEERN C=C(CSc1nncn1CCc1ccccn1)C(=O)OCC ZINC000172295340 198073081 /nfs/dbraw/zinc/07/30/81/198073081.db2.gz OTDDVOFKEDZLHE-UHFFFAOYSA-N 0 0 318.402 2.127 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(c2ccco2)CC1 ZINC000617386893 363118277 /nfs/dbraw/zinc/11/82/77/363118277.db2.gz RRRJDGUXSDWLFT-OAHLLOKOSA-N 0 0 304.390 2.457 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)[C@@H]1CCCN(C)C1=O ZINC000294363698 539841717 /nfs/dbraw/zinc/84/17/17/539841717.db2.gz APMDKDJHMFXAOL-MRXNPFEDSA-N 0 0 300.402 2.112 10 30 DEEERN N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)nc1 ZINC000172971511 198171385 /nfs/dbraw/zinc/17/13/85/198171385.db2.gz KVLLODCGWZFSJU-KGLIPLIRSA-N 0 0 321.336 2.467 10 30 DEEERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)Cn1cccn1 ZINC000328623509 539909170 /nfs/dbraw/zinc/90/91/70/539909170.db2.gz JGHIQFIMEQVDEP-GZBFAFLISA-N 0 0 317.393 2.222 10 30 DEEERN Cc1csc(C2(NC(=O)[C@H]3CCS(=O)(=O)C3)CCC2)n1 ZINC000329283515 539917268 /nfs/dbraw/zinc/91/72/68/539917268.db2.gz FSBYGDBLIBEEJS-JTQLQIEISA-N 0 0 314.432 2.222 10 30 DEEERN C=CCN(C(=O)c1ccc(N(C)C(C)=O)cc1)[C@@H](C)COC ZINC000617582726 363196163 /nfs/dbraw/zinc/19/61/63/363196163.db2.gz TVYPEYLQHJLTSL-ZDUSSCGKSA-N 0 0 304.390 2.332 10 30 DEEERN CCCC(=O)NCc1nc([C@@H]2CN3CCCC[C@H]3CO2)no1 ZINC000329720325 539928328 /nfs/dbraw/zinc/92/83/28/539928328.db2.gz MSFAWTWHZAGMCR-RYUDHWBXSA-N 0 0 308.382 2.252 10 30 DEEERN C#CCSCCNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000173881120 198263859 /nfs/dbraw/zinc/26/38/59/198263859.db2.gz JZPHOOKZJIUUJD-KGLIPLIRSA-N 0 0 317.410 2.044 10 30 DEEERN CCC(=O)N1CSC[C@@H]1C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000175758510 198506166 /nfs/dbraw/zinc/50/61/66/198506166.db2.gz BFDMCZZGDWKNKT-BXUZGUMPSA-N 0 0 318.398 2.474 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2cccc(-n3nnnc3C)c2)C1 ZINC000626273087 366131536 /nfs/dbraw/zinc/13/15/36/366131536.db2.gz ZTFYCRATVDZADP-ZDUSSCGKSA-N 0 0 312.377 2.401 10 30 DEEERN COC(=O)c1cccc(NCC(=O)N[C@](C)(C#N)C(C)C)c1C ZINC000026791869 354085577 /nfs/dbraw/zinc/08/55/77/354085577.db2.gz WXZRBGIHBLHYDD-QGZVFWFLSA-N 0 0 317.389 2.248 10 30 DEEERN Cn1ccnc1C[C@H](Nc1cc(C#N)ncn1)c1ccccc1 ZINC000617956914 363328631 /nfs/dbraw/zinc/32/86/31/363328631.db2.gz QORYAEGZGRMBOI-HNNXBMFYSA-N 0 0 304.357 2.478 10 30 DEEERN O=[N+]([O-])c1ccc(/C=N/NC(=S)N[C@H]2C[C@@H]3C=C[C@H]2C3)cc1 ZINC000004322241 181097689 /nfs/dbraw/zinc/09/76/89/181097689.db2.gz NGSNIKMIAFFSKP-YSLNGQDXSA-N 0 0 316.386 2.357 10 30 DEEERN C=CCn1nnnc1S[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000052894738 354415910 /nfs/dbraw/zinc/41/59/10/354415910.db2.gz DBLLDYFABUUYQK-NEPJUHHUSA-N 0 0 317.418 2.217 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)NCc1ccnn1C ZINC000056873708 354547003 /nfs/dbraw/zinc/54/70/03/354547003.db2.gz BAZNNBUEJICZKK-UHFFFAOYSA-N 0 0 302.353 2.457 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000618115336 363380159 /nfs/dbraw/zinc/38/01/59/363380159.db2.gz ZERPSQKRZJUBDE-JKSUJKDBSA-N 0 0 305.374 2.287 10 30 DEEERN Cc1cc(C(=O)Nc2cc(C#N)ccn2)ccc1N1CCNC1=O ZINC000618138291 363391431 /nfs/dbraw/zinc/39/14/31/363391431.db2.gz CUNXLAOFRPZNOO-UHFFFAOYSA-N 0 0 321.340 2.044 10 30 DEEERN N#Cc1cccc(CC(=O)N[C@@H]2CCc3cc(O)ccc3C2)c1 ZINC000618250253 363431003 /nfs/dbraw/zinc/43/10/03/363431003.db2.gz TVPCRFVBEMFKFE-QGZVFWFLSA-N 0 0 306.365 2.480 10 30 DEEERN N#Cc1cccnc1N1CCN(Cc2nc3ccccc3o2)CC1 ZINC000073108501 354943037 /nfs/dbraw/zinc/94/30/37/354943037.db2.gz KWAHWWKJGJCLFW-UHFFFAOYSA-N 0 0 319.368 2.417 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2ccc3ccccc3n2)CCN1C1CC1 ZINC000370971316 283060481 /nfs/dbraw/zinc/06/04/81/283060481.db2.gz CKMBSVAERCAAFL-OAHLLOKOSA-N 0 0 306.369 2.047 10 30 DEEERN C=CCN(Cc1ccccc1)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000075660973 355100633 /nfs/dbraw/zinc/10/06/33/355100633.db2.gz PENMCLXRKOLKKY-GASCZTMLSA-N 0 0 324.446 2.029 10 30 DEEERN C=CCCCN(C)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000077576539 355213758 /nfs/dbraw/zinc/21/37/58/355213758.db2.gz INLRWEANOMQNFX-UHFFFAOYSA-N 0 0 321.396 2.092 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000077862281 355234343 /nfs/dbraw/zinc/23/43/43/355234343.db2.gz MHGXJOZMAAPFMJ-UHFFFAOYSA-N 0 0 312.373 2.235 10 30 DEEERN Cc1nc(CN2CCN(c3c(Cl)cccc3C#N)CC2)no1 ZINC000078251685 355249264 /nfs/dbraw/zinc/24/92/64/355249264.db2.gz JUDQJOHXJRLGSC-UHFFFAOYSA-N 0 0 317.780 2.225 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3O)cc2C1=O ZINC000078269100 355250464 /nfs/dbraw/zinc/25/04/64/355250464.db2.gz IRLATNODVFWTJD-UHFFFAOYSA-N 0 0 322.320 2.427 10 30 DEEERN N#C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CC1 ZINC000108827551 355738328 /nfs/dbraw/zinc/73/83/28/355738328.db2.gz HKZMDKNPCKNUDO-FZMZJTMJSA-N 0 0 317.776 2.111 10 30 DEEERN COc1cc(C#N)ccc1OCC(=O)NCCCCSC ZINC000125862260 355813444 /nfs/dbraw/zinc/81/34/44/355813444.db2.gz ASEJOKTYCMUOFL-UHFFFAOYSA-N 0 0 308.403 2.205 10 30 DEEERN N#CC1CCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000147210276 355911413 /nfs/dbraw/zinc/91/14/13/355911413.db2.gz NABOAGWJGFTZBH-CQSZACIVSA-N 0 0 315.398 2.252 10 30 DEEERN Cc1ccc([C@@H](C)NC(=O)CNC(=O)c2ccc(C#N)cc2)o1 ZINC000171108282 355997093 /nfs/dbraw/zinc/99/70/93/355997093.db2.gz FADQWAZYFGPNKX-GFCCVEGCSA-N 0 0 311.341 2.067 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)CCO1 ZINC000155600661 355948236 /nfs/dbraw/zinc/94/82/36/355948236.db2.gz IUWIWZODFSNYDZ-GBIKHYSHSA-N 0 0 323.755 2.269 10 30 DEEERN N#CC1(c2ccc(C(=O)NCc3ccc(C(N)=O)cc3)cc2)CC1 ZINC000182468639 356128709 /nfs/dbraw/zinc/12/87/09/356128709.db2.gz ATDGMGCZLQQQIP-UHFFFAOYSA-N 0 0 319.364 2.271 10 30 DEEERN CCCCN(CCCO)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000182339748 356123069 /nfs/dbraw/zinc/12/30/69/356123069.db2.gz BJBZHLMZXDVXGY-AWEZNQCLSA-N 0 0 304.390 2.337 10 30 DEEERN C=CCn1c(C)nnc1SCc1nnc(C2CCC2)n1C ZINC000181004612 356070478 /nfs/dbraw/zinc/07/04/78/356070478.db2.gz VJCUCCQMGZHCMN-UHFFFAOYSA-N 0 0 304.423 2.461 10 30 DEEERN COc1ccc(CNC(=O)NC[C@H](C)C#N)cc1OC(F)F ZINC000182504178 356129391 /nfs/dbraw/zinc/12/93/91/356129391.db2.gz APXRJPOYFIZLQE-SECBINFHSA-N 0 0 313.304 2.255 10 30 DEEERN N#Cc1ccc(CN2CCNC(=O)[C@@H]2c2ccccc2F)cc1 ZINC000374588822 283141839 /nfs/dbraw/zinc/14/18/39/283141839.db2.gz UGGFXUXZAMHCAA-KRWDZBQOSA-N 0 0 309.344 2.370 10 30 DEEERN COc1cccc(N2CCC[C@@H](NC(=O)NC[C@@H](C)C#N)C2)c1 ZINC000182669349 356138343 /nfs/dbraw/zinc/13/83/43/356138343.db2.gz YICYXLRWPJMPMI-UONOGXRCSA-N 0 0 316.405 2.123 10 30 DEEERN N#Cc1c(I)nccc1OC(F)(F)F ZINC000238538522 356303963 /nfs/dbraw/zinc/30/39/63/356303963.db2.gz KTSVOWBKAGSDTJ-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN N#Cc1nccc(OC(F)(F)F)c1I ZINC000238537622 356304250 /nfs/dbraw/zinc/30/42/50/356304250.db2.gz RGOFSGGFMSEZGJ-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN N#Cc1ccnc(OC(F)(F)F)c1I ZINC000238549249 356304392 /nfs/dbraw/zinc/30/43/92/356304392.db2.gz DOUAWSVRAKERCO-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN COc1ccc(Cl)cc1CNC(=O)c1cc(C#N)cn1C ZINC000081027826 192217682 /nfs/dbraw/zinc/21/76/82/192217682.db2.gz RCHNGPRNUWPVMF-UHFFFAOYSA-N 0 0 303.749 2.489 10 30 DEEERN COC(=O)c1ccc(NC(=O)c2cc(C#N)cn2C)c(F)c1 ZINC000081155430 192230397 /nfs/dbraw/zinc/23/03/97/192230397.db2.gz GBJCZBNGCHDWSU-UHFFFAOYSA-N 0 0 301.277 2.075 10 30 DEEERN COC(=O)c1ccc(C#N)c(I)c1F ZINC000306602382 356404946 /nfs/dbraw/zinc/40/49/46/356404946.db2.gz LGIVFSULELPOFV-UHFFFAOYSA-N 0 0 305.046 2.089 10 30 DEEERN COc1cc(OC)c(CC#N)cc1I ZINC000306894041 356406108 /nfs/dbraw/zinc/40/61/08/356406108.db2.gz IXXMOKNLPWPOHK-UHFFFAOYSA-N 0 0 303.099 2.374 10 30 DEEERN CCN1CCN(C(=O)Nc2ccc(C)nc2)C[C@@H]1c1ncc[nH]1 ZINC000328615942 356460470 /nfs/dbraw/zinc/46/04/70/356460470.db2.gz BEZWZRSDZOTVJA-CQSZACIVSA-N 0 0 314.393 2.037 10 30 DEEERN Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cc(C#N)cn1C ZINC000081540225 192286016 /nfs/dbraw/zinc/28/60/16/192286016.db2.gz UNELSVMYGIVSBZ-QFIPXVFZSA-N 0 0 315.398 2.336 10 30 DEEERN C=CCNC(=O)Cc1noc(-c2cc(C)n(-c3ccccc3)n2)n1 ZINC000350707097 356560588 /nfs/dbraw/zinc/56/05/88/356560588.db2.gz UZLOOBZZQNSMPR-UHFFFAOYSA-N 0 0 323.356 2.075 10 30 DEEERN Cn1cc([C@@H](NC(=O)c2cc(O)cc(C#N)c2)C(F)(F)F)cn1 ZINC000618541575 363520744 /nfs/dbraw/zinc/52/07/44/363520744.db2.gz BDBYKNPUOGBVSY-GFCCVEGCSA-N 0 0 324.262 2.031 10 30 DEEERN C=CCOCCCNC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000618514270 363512801 /nfs/dbraw/zinc/51/28/01/363512801.db2.gz GOMMNGSVGQKIOG-UHFFFAOYSA-N 0 0 306.387 2.053 10 30 DEEERN C=CCOCCCNC(=O)C[C@@H](NC(C)=O)c1cccs1 ZINC000618514385 363512868 /nfs/dbraw/zinc/51/28/68/363512868.db2.gz KIRFWLWDKSNYKT-CYBMUJFWSA-N 0 0 310.419 2.024 10 30 DEEERN C=CCOCCCNC(=O)c1ccccc1-c1nnc(C)o1 ZINC000618525682 363515499 /nfs/dbraw/zinc/51/54/99/363515499.db2.gz GVWHKBOSZXEDCP-UHFFFAOYSA-N 0 0 301.346 2.368 10 30 DEEERN CC[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2N)[C@@H]1C ZINC000086083069 192547832 /nfs/dbraw/zinc/54/78/32/192547832.db2.gz TWRUVCOMTUKVJY-SCDSUCTJSA-N 0 0 307.419 2.243 10 30 DEEERN CCOC(=O)c1nc(C)n(-c2cc(Cl)ccc2C#N)c1N ZINC000086115201 192548711 /nfs/dbraw/zinc/54/87/11/192548711.db2.gz OVIQDUYGAIHSED-UHFFFAOYSA-N 0 0 304.737 2.465 10 30 DEEERN N#Cc1cc(Br)cn(CCC[C@@H]2CCOC2)c1=O ZINC000400932375 356725489 /nfs/dbraw/zinc/72/54/89/356725489.db2.gz OVHBLOXGIOOHNL-SNVBAGLBSA-N 0 0 311.179 2.299 10 30 DEEERN N#Cc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1C(F)(F)F ZINC000514281487 356741733 /nfs/dbraw/zinc/74/17/33/356741733.db2.gz JPPXJTFGEIDFSV-UHFFFAOYSA-N 0 0 318.198 2.243 10 30 DEEERN C=CCCOCCNC(=O)N[C@H](c1ccccc1F)[C@H](C)O ZINC000578657194 356852525 /nfs/dbraw/zinc/85/25/25/356852525.db2.gz FFGBPAAVIPLFOS-WFASDCNBSA-N 0 0 310.369 2.140 10 30 DEEERN Cc1cc(C#N)cc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1 ZINC000587780320 357383346 /nfs/dbraw/zinc/38/33/46/357383346.db2.gz GVWSFOCYFLMVSY-CQSZACIVSA-N 0 0 300.406 2.250 10 30 DEEERN C=CCOCCNC(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000589013769 357439059 /nfs/dbraw/zinc/43/90/59/357439059.db2.gz CWDXMFQBYCCBFF-UHFFFAOYSA-N 0 0 317.345 2.279 10 30 DEEERN C=CCCOCC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1 ZINC000589451613 357470839 /nfs/dbraw/zinc/47/08/39/357470839.db2.gz NXMZILUZDTVPNI-CQSZACIVSA-N 0 0 320.414 2.119 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000590674585 357577651 /nfs/dbraw/zinc/57/76/51/357577651.db2.gz AVGXFHSBKNKVTM-HRCADAONSA-N 0 0 311.385 2.100 10 30 DEEERN C=CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@](C)(C#N)C1 ZINC000591613572 357743614 /nfs/dbraw/zinc/74/36/14/357743614.db2.gz PIMCFFUVXPJFNH-WMLDXEAASA-N 0 0 315.421 2.488 10 30 DEEERN C#CCOc1ccc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1 ZINC000179358912 199020996 /nfs/dbraw/zinc/02/09/96/199020996.db2.gz UCACEZMTWJTTQX-OAHLLOKOSA-N 0 0 310.357 2.184 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC(=O)C1 ZINC000592755017 357936267 /nfs/dbraw/zinc/93/62/67/357936267.db2.gz IGYZIWWKGALJAX-ZDUSSCGKSA-N 0 0 302.330 2.479 10 30 DEEERN C=CCNC(=O)CNC1(C(=O)OC(C)(C)C)CCCCCC1 ZINC000593064456 358000144 /nfs/dbraw/zinc/00/01/44/358000144.db2.gz ZVOJDQCDMDYULG-UHFFFAOYSA-N 0 0 310.438 2.313 10 30 DEEERN C=CCCCS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000593622782 358113906 /nfs/dbraw/zinc/11/39/06/358113906.db2.gz RUIFWLVVYMZFCR-CHWSQXEVSA-N 0 0 317.451 2.477 10 30 DEEERN C=CCCn1cc(C[S@](=O)Cc2noc3c2CCCC3)nn1 ZINC000593936317 358174812 /nfs/dbraw/zinc/17/48/12/358174812.db2.gz RMMTVHRFYFEYEL-QFIPXVFZSA-N 0 0 320.418 2.170 10 30 DEEERN C=CCCn1cc(CS[C@@H](Cc2ccccc2)C(N)=O)nn1 ZINC000594565041 358295070 /nfs/dbraw/zinc/29/50/70/358295070.db2.gz BXOUGAMCKQVIDB-HNNXBMFYSA-N 0 0 316.430 2.184 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@]1(C)CC1(F)F ZINC000594849889 358347651 /nfs/dbraw/zinc/34/76/51/358347651.db2.gz AUEFBDWWENAGFV-GFCCVEGCSA-N 0 0 300.330 2.190 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](CCF)C2)s1 ZINC000594857199 358349682 /nfs/dbraw/zinc/34/96/82/358349682.db2.gz OJWSNNAZGPSVRU-JTQLQIEISA-N 0 0 302.396 2.380 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595123867 358392125 /nfs/dbraw/zinc/39/21/25/358392125.db2.gz GFPMLTURSISLHT-INIZCTEOSA-N 0 0 317.414 2.025 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000595373866 358434774 /nfs/dbraw/zinc/43/47/74/358434774.db2.gz WNNAHIPOEIVKKC-OKILXGFUSA-N 0 0 303.387 2.133 10 30 DEEERN C=CCOCCCNC(=O)N[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000595768357 358544413 /nfs/dbraw/zinc/54/44/13/358544413.db2.gz ZDOQKMVRPWBTSH-XMHCIUCPSA-N 0 0 324.446 2.377 10 30 DEEERN CN1C[C@@H](CNc2ccc(Br)cc2C#N)CC1=O ZINC000596492387 358698884 /nfs/dbraw/zinc/69/88/84/358698884.db2.gz UMKFVLUCXIGUFE-SECBINFHSA-N 0 0 308.179 2.211 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)N1C[C@H](C)O[C@H](C(=O)OC)C1 ZINC000596661859 358734849 /nfs/dbraw/zinc/73/48/49/358734849.db2.gz LSPPRBHDCUSODN-XQLPTFJDSA-N 0 0 324.421 2.093 10 30 DEEERN C=CCSCCNC(=O)C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000597218213 358858179 /nfs/dbraw/zinc/85/81/79/358858179.db2.gz MGOFVCLGVAILKZ-CQSZACIVSA-N 0 0 310.463 2.061 10 30 DEEERN CC(=O)N(C)c1cccc(NC(=O)CC2(C#N)CCOCC2)c1 ZINC000597324239 358888349 /nfs/dbraw/zinc/88/83/49/358888349.db2.gz ASIXMEZNKLRCBH-UHFFFAOYSA-N 0 0 315.373 2.318 10 30 DEEERN C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc([C@H](C)CC)c1 ZINC000627456690 366527525 /nfs/dbraw/zinc/52/75/25/366527525.db2.gz VASHTYFLVSZSEF-KGLIPLIRSA-N 0 0 318.417 2.439 10 30 DEEERN C=CCN(C(=O)[C@H](C)Oc1ccccc1C#N)[C@H](C)COC ZINC000597951838 359050881 /nfs/dbraw/zinc/05/08/81/359050881.db2.gz LKWMAYZWUDAZBV-KGLIPLIRSA-N 0 0 302.374 2.375 10 30 DEEERN C=CCCSCCNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000597967980 359054621 /nfs/dbraw/zinc/05/46/21/359054621.db2.gz BPYOLVSCLNXSRM-UHFFFAOYSA-N 0 0 319.473 2.191 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000185960359 199909911 /nfs/dbraw/zinc/90/99/11/199909911.db2.gz IURRYTYCFNYVTH-AWEZNQCLSA-N 0 0 301.390 2.255 10 30 DEEERN C=CCCOCC(=O)NC1(c2cccc(C#N)c2)CCOCC1 ZINC000598249069 359137416 /nfs/dbraw/zinc/13/74/16/359137416.db2.gz PVORWHBNWUSLCE-UHFFFAOYSA-N 0 0 314.385 2.273 10 30 DEEERN C[C@]1(C#N)CCN(C(=O)c2ncsc2Br)C1 ZINC000598421692 359194652 /nfs/dbraw/zinc/19/46/52/359194652.db2.gz YEZINEYEAYEJOP-SNVBAGLBSA-N 0 0 300.181 2.281 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N(C)CCN1C(=O)c2ccccc2C1=O ZINC000185937581 199906392 /nfs/dbraw/zinc/90/63/92/199906392.db2.gz OJZWEAJCIDGHTE-ZDUSSCGKSA-N 0 0 314.385 2.343 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000599359412 359475329 /nfs/dbraw/zinc/47/53/29/359475329.db2.gz AYNZLJXNCOVDLQ-UHFFFAOYSA-N 0 0 311.403 2.354 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cccc(C)c2C(=O)OC)C1 ZINC000599373818 359481486 /nfs/dbraw/zinc/48/14/86/359481486.db2.gz DKPFPBJTMOBHCH-ZDUSSCGKSA-N 0 0 323.414 2.368 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)OCC)c2)C1 ZINC000599373895 359481576 /nfs/dbraw/zinc/48/15/76/359481576.db2.gz FSHNQNAOJWTTFU-CYBMUJFWSA-N 0 0 323.414 2.450 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000599397698 359488323 /nfs/dbraw/zinc/48/83/23/359488323.db2.gz NBFUPRYJAWVECP-UHFFFAOYSA-N 0 0 313.401 2.235 10 30 DEEERN C=CCCn1cc(CN2[C@H](C)C[C@@H](C(=O)OC)C[C@@H]2C)nn1 ZINC000599689364 359573578 /nfs/dbraw/zinc/57/35/78/359573578.db2.gz DXJPJKDOMQUGFZ-BTTYYORXSA-N 0 0 306.410 2.016 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000600003876 359632745 /nfs/dbraw/zinc/63/27/45/359632745.db2.gz IHCLMJUFEAGFRM-NSHDSACASA-N 0 0 301.321 2.060 10 30 DEEERN CC[C@]1(CO)CCCN(C(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000187091394 200059823 /nfs/dbraw/zinc/05/98/23/200059823.db2.gz ZNJBKYKQGXQNOG-KSSFIOAISA-N 0 0 316.401 2.337 10 30 DEEERN C#CCOc1ccccc1NC(=O)NC[C@H]1CCCC[C@H]1O ZINC000188054320 200186895 /nfs/dbraw/zinc/18/68/95/200186895.db2.gz BIVJIYCMCRAIFE-UKRRQHHQSA-N 0 0 302.374 2.371 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(C)nn1CC ZINC000627635399 366573670 /nfs/dbraw/zinc/57/36/70/366573670.db2.gz OCEOXKWIYNAJEE-ZIAGYGMSSA-N 0 0 318.421 2.401 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cnn(CCF)c1 ZINC000627635457 366573890 /nfs/dbraw/zinc/57/38/90/366573890.db2.gz QTASXAAVOSETQK-OCCSQVGLSA-N 0 0 322.384 2.042 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cccc(OC)c2C)C1 ZINC000627733434 366603787 /nfs/dbraw/zinc/60/37/87/366603787.db2.gz UVYOQABMMKSOLP-ZDUSSCGKSA-N 0 0 302.374 2.367 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(OC)cc2F)C1 ZINC000627734376 366604737 /nfs/dbraw/zinc/60/47/37/366604737.db2.gz QZVSMTCPJJYSOA-SNVBAGLBSA-N 0 0 324.327 2.337 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2OC(C)C)C1 ZINC000627735676 366604873 /nfs/dbraw/zinc/60/48/73/366604873.db2.gz YMXAQYYLUIMFMK-CYBMUJFWSA-N 0 0 317.389 2.232 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccccc2OCC)C1 ZINC000627736398 366606915 /nfs/dbraw/zinc/60/69/15/366606915.db2.gz XAEITABIWNNFOJ-ZDUSSCGKSA-N 0 0 302.374 2.448 10 30 DEEERN CC(=O)N1CC[C@H](CN(C)c2ncc(C#N)c3ccsc32)C1 ZINC000601135017 359935363 /nfs/dbraw/zinc/93/53/63/359935363.db2.gz QHRIOGIYQVEYJH-GFCCVEGCSA-N 0 0 314.414 2.473 10 30 DEEERN C=C(C)C[C@H](Nc1ncnc2c1ncn2C1CC1)C(=O)OC ZINC000601225874 359972442 /nfs/dbraw/zinc/97/24/42/359972442.db2.gz AUWZKMLIIPDGSH-NSHDSACASA-N 0 0 301.350 2.081 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1 ZINC000601664579 360105287 /nfs/dbraw/zinc/10/52/87/360105287.db2.gz NQTUQKFDGXWFJG-KJWHEZOQSA-N 0 0 309.406 2.204 10 30 DEEERN CC#CCCCC(=O)N1CC[C@](COC)(C(=O)OC(C)(C)C)C1 ZINC000601775364 360142546 /nfs/dbraw/zinc/14/25/46/360142546.db2.gz LQUOCLBGRNHJDN-SFHVURJKSA-N 0 0 323.433 2.387 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H](C)n1cnc2ccccc21)C(=O)OC ZINC000601776533 360143775 /nfs/dbraw/zinc/14/37/75/360143775.db2.gz BIWKLAXZLGFLIY-GXTWGEPZSA-N 0 0 315.373 2.221 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(F)c(F)cc1F)C(=O)OC ZINC000601781599 360146014 /nfs/dbraw/zinc/14/60/14/360146014.db2.gz JJHKNMJEAYYNCP-GFCCVEGCSA-N 0 0 301.264 2.342 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)C(=O)OC ZINC000601783989 360147452 /nfs/dbraw/zinc/14/74/52/360147452.db2.gz FVRMKPZXQROAOY-ARFHVFGLSA-N 0 0 317.385 2.423 10 30 DEEERN C=C(C)C[C@@H](NC(=O)COCc1ccc(C)cc1)C(=O)OC ZINC000601784567 360147501 /nfs/dbraw/zinc/14/75/01/360147501.db2.gz KQADGJKBUDDCJN-OAHLLOKOSA-N 0 0 305.374 2.136 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cc1cc(F)c(C)cc1F)C(=O)OC ZINC000601784706 360147693 /nfs/dbraw/zinc/14/76/93/360147693.db2.gz LGQQTZIWKKOHPY-AWEZNQCLSA-N 0 0 311.328 2.440 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H]1CCc2cc(C)ccc2O1)C(=O)OC ZINC000601784050 360147762 /nfs/dbraw/zinc/14/77/62/360147762.db2.gz ZKKLRAACGBWVTR-GOEBONIOSA-N 0 0 317.385 2.313 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1COc2cc(C)c(C)cc21)C(=O)OC ZINC000601785546 360148775 /nfs/dbraw/zinc/14/87/75/360148775.db2.gz BYWPZAAKDAJVBC-HUUCEWRRSA-N 0 0 317.385 2.403 10 30 DEEERN C=C(C)C[C@H](NC(=O)CSc1ccc(C#N)cc1)C(=O)OC ZINC000601786782 360149510 /nfs/dbraw/zinc/14/95/10/360149510.db2.gz SGQIWYZXUYEICI-AWEZNQCLSA-N 0 0 318.398 2.274 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cc1cc(F)ccc1OC)C(=O)OC ZINC000601787660 360150600 /nfs/dbraw/zinc/15/06/00/360150600.db2.gz MFGJHTLBKUYQKI-CYBMUJFWSA-N 0 0 309.337 2.001 10 30 DEEERN CC(=O)N1CCc2cc(C(=O)N(C)[C@@H]3CCC[C@@H]3C#N)ccc21 ZINC000601812477 360158544 /nfs/dbraw/zinc/15/85/44/360158544.db2.gz FNUILJCUBKQZCR-HZPDHXFCSA-N 0 0 311.385 2.360 10 30 DEEERN CC#CCCCC(=O)N1CCC(c2cc(C(=O)OC)on2)CC1 ZINC000601892326 360185139 /nfs/dbraw/zinc/18/51/39/360185139.db2.gz BRLDONOERJOMTC-UHFFFAOYSA-N 0 0 318.373 2.361 10 30 DEEERN C=CCSCCNC(=O)NC[C@H]1c2ccccc2C(=O)N1C ZINC000602244515 360321765 /nfs/dbraw/zinc/32/17/65/360321765.db2.gz GZLMBFICTQIPTF-AWEZNQCLSA-N 0 0 319.430 2.032 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cccc(F)c1OCC)C(=O)OC ZINC000602414232 360361520 /nfs/dbraw/zinc/36/15/20/360361520.db2.gz MZUAWRBFEFBJHM-ZDUSSCGKSA-N 0 0 309.337 2.462 10 30 DEEERN C=CCCOCC(=O)N1c2cccc(C)c2C[C@@H]1C(=O)OC ZINC000602417404 360363278 /nfs/dbraw/zinc/36/32/78/360363278.db2.gz MVEQNPJGIHRTGL-OAHLLOKOSA-N 0 0 303.358 2.018 10 30 DEEERN C=CCOC[C@H](NC[C@H]1CCc2ccccc2C1)C(=O)OC ZINC000602642859 360473887 /nfs/dbraw/zinc/47/38/87/360473887.db2.gz AQXVPJYBJJFCLT-YOEHRIQHSA-N 0 0 303.402 2.125 10 30 DEEERN C=C(C)C[C@@H](NC1CCN(CC(F)(F)F)CC1)C(=O)OC ZINC000602734150 360525989 /nfs/dbraw/zinc/52/59/89/360525989.db2.gz MUNLOVIJRIZCGN-GFCCVEGCSA-N 0 0 308.344 2.111 10 30 DEEERN C=C(C)C[C@H](NCc1cc(F)c(OC)cc1OC)C(=O)OC ZINC000602738357 360528548 /nfs/dbraw/zinc/52/85/48/360528548.db2.gz JCOLQRDZQSNCAR-ZDUSSCGKSA-N 0 0 311.353 2.440 10 30 DEEERN C=CCc1cc(CN2CCN(CCC#N)CC2)cc(OC)c1O ZINC000602748914 360536137 /nfs/dbraw/zinc/53/61/37/360536137.db2.gz WONKFXFGNVEEMO-UHFFFAOYSA-N 0 0 315.417 2.161 10 30 DEEERN C=CCOc1ccc(C(=O)N2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000603105795 360702699 /nfs/dbraw/zinc/70/26/99/360702699.db2.gz NQCJRNOVFPXYCA-GJZGRUSLSA-N 0 0 313.401 2.310 10 30 DEEERN C=CCOCCn1c(=O)sc2c1[C@H](C(=O)OCC)CCC2 ZINC000603351662 360803566 /nfs/dbraw/zinc/80/35/66/360803566.db2.gz CUTZVPFBOUWHCL-LLVKDONJSA-N 0 0 311.403 2.095 10 30 DEEERN Cc1cc(CN(C)C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)no1 ZINC000609101296 361278777 /nfs/dbraw/zinc/27/87/77/361278777.db2.gz LTBGQFQBRQHNJN-QGZVFWFLSA-N 0 0 324.384 2.482 10 30 DEEERN N#Cc1ccc(OCC(=O)NCc2ccc(C#N)cc2F)cc1 ZINC000609230014 361290828 /nfs/dbraw/zinc/29/08/28/361290828.db2.gz JWMSQBLTSHPMJP-UHFFFAOYSA-N 0 0 309.300 2.264 10 30 DEEERN CC(C)(C)CN(CCO)C(=O)NCc1ccc(C#N)cc1F ZINC000609293649 361297043 /nfs/dbraw/zinc/29/70/43/361297043.db2.gz RPAAMRLDSBLIEQ-UHFFFAOYSA-N 0 0 307.369 2.247 10 30 DEEERN COc1cc2c(cc1CNC(=O)c1ccnc(C#N)c1)O[C@@H](C)C2 ZINC000193624155 201090859 /nfs/dbraw/zinc/09/08/59/201090859.db2.gz WZTNHMZYHPTSLB-NSHDSACASA-N 0 0 323.352 2.215 10 30 DEEERN N#Cc1cc(C(=O)N2CCO[C@H](CCc3ccccc3)C2)ccn1 ZINC000193809768 201126126 /nfs/dbraw/zinc/12/61/26/201126126.db2.gz LEGUMHFYUJOOJR-GOSISDBHSA-N 0 0 321.380 2.427 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000628312547 366805955 /nfs/dbraw/zinc/80/59/55/366805955.db2.gz GIDFRGCJBWUAHN-SFHVURJKSA-N 0 0 300.402 2.163 10 30 DEEERN C=CC(C)(C)CCNC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC000628316089 366808127 /nfs/dbraw/zinc/80/81/27/366808127.db2.gz IZSVQPWCBNZXBI-UHFFFAOYSA-N 0 0 316.405 2.313 10 30 DEEERN C=CC(C)(C)CCNC(=O)CN1C(=O)c2ccccc2C1=O ZINC000628318791 366808983 /nfs/dbraw/zinc/80/89/83/366808983.db2.gz UHAKKKLDTZGDCR-UHFFFAOYSA-N 0 0 300.358 2.001 10 30 DEEERN CC[C@@H]1CN(Cc2ccc(OC)c(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000619434182 363793065 /nfs/dbraw/zinc/79/30/65/363793065.db2.gz MDNXNSJYARAIQQ-SJLPKXTDSA-N 0 0 316.401 2.337 10 30 DEEERN N#CC[C@@H](CC(=O)NC1(CCO)CCOCC1)c1ccccc1 ZINC000619442171 363795866 /nfs/dbraw/zinc/79/58/66/363795866.db2.gz XVAADAATBNRKJH-INIZCTEOSA-N 0 0 316.401 2.122 10 30 DEEERN COCCN(CCC#N)C(=O)Nc1cccc(N(C)C)c1C ZINC000611434528 361599900 /nfs/dbraw/zinc/59/99/00/361599900.db2.gz RYSBFZGPHATHDO-UHFFFAOYSA-N 0 0 304.394 2.455 10 30 DEEERN CC(C)(CCCO)CNC(=O)NCc1ccc(C#N)cc1F ZINC000611327822 361579877 /nfs/dbraw/zinc/57/98/77/361579877.db2.gz WDAZNZOHCLUTIK-UHFFFAOYSA-N 0 0 307.369 2.295 10 30 DEEERN C=CCOCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000611544976 361627288 /nfs/dbraw/zinc/62/72/88/361627288.db2.gz GVEQXKBFXDADDZ-UHFFFAOYSA-N 0 0 305.334 2.102 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc2c(c1)nc(C)n2C ZINC000611645277 361651538 /nfs/dbraw/zinc/65/15/38/361651538.db2.gz XBAYEACBWVYFKY-HNNXBMFYSA-N 0 0 314.389 2.291 10 30 DEEERN COC(=O)C1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000619693832 363856378 /nfs/dbraw/zinc/85/63/78/363856378.db2.gz XALIGQWBSBLZFA-UHFFFAOYSA-N 0 0 313.279 2.361 10 30 DEEERN Cn1cnnc1[C@H]1CCCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000619697254 363857610 /nfs/dbraw/zinc/85/76/10/363857610.db2.gz RQKGRSWXBPQQRV-LLVKDONJSA-N 0 0 322.294 2.442 10 30 DEEERN N#Cc1ccc(CNC(=O)c2cccc3ncnn32)cc1Cl ZINC000619763444 363873158 /nfs/dbraw/zinc/87/31/58/363873158.db2.gz IOMOMBVRMWGIQR-UHFFFAOYSA-N 0 0 311.732 2.184 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CCC1 ZINC000619969183 363923345 /nfs/dbraw/zinc/92/33/45/363923345.db2.gz YOHSGOCNQCKEEC-HZPDHXFCSA-N 0 0 318.461 2.492 10 30 DEEERN C=CCC(CC=C)C(=O)NCCN1C[C@H]2CCCCN2C1=O ZINC000620101086 363956063 /nfs/dbraw/zinc/95/60/63/363956063.db2.gz GDLCXSGZYMOYMQ-OAHLLOKOSA-N 0 0 305.422 2.161 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCCOCCOCCOC ZINC000620302179 364012897 /nfs/dbraw/zinc/01/28/97/364012897.db2.gz UKYWIEAIFOJYQI-IYBDPMFKSA-N 0 0 311.422 2.156 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CSCN1C(=O)CCC ZINC000620310368 364013666 /nfs/dbraw/zinc/01/36/66/364013666.db2.gz NBBIIFUKGSQSTH-MJBXVCDLSA-N 0 0 308.447 2.398 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC000620305800 364014013 /nfs/dbraw/zinc/01/40/13/364014013.db2.gz RJDALRZRBIHTJH-BETUJISGSA-N 0 0 320.339 2.404 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000628402205 366842141 /nfs/dbraw/zinc/84/21/41/366842141.db2.gz IUEQGYDBWAGWRU-WZRBSPASSA-N 0 0 302.365 2.207 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cnc3sc(C)c(C)n3c2=O)C1 ZINC000628490199 366865078 /nfs/dbraw/zinc/86/50/78/366865078.db2.gz RRLIRLJHOZIWKP-LBPRGKRZSA-N 0 0 317.414 2.411 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)CC)cc2)C1 ZINC000628487704 366865587 /nfs/dbraw/zinc/86/55/87/366865587.db2.gz KRGUCQZHWVMMCQ-OAHLLOKOSA-N 0 0 321.442 2.447 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C1Cc2ccccc2C1 ZINC000622789538 364797328 /nfs/dbraw/zinc/79/73/28/364797328.db2.gz RLKFRVRLOINHJS-KRWDZBQOSA-N 0 0 300.402 2.083 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(F)ccc1C(C)=O ZINC000622844543 364810615 /nfs/dbraw/zinc/81/06/15/364810615.db2.gz FPPITQDDSBALDJ-OAHLLOKOSA-N 0 0 306.337 2.438 10 30 DEEERN C=CCOc1cccnc1C(=O)Nc1cc(C)nnc1N(C)C ZINC000622909095 364830462 /nfs/dbraw/zinc/83/04/62/364830462.db2.gz PQZFHFPMZSXLBG-UHFFFAOYSA-N 0 0 313.361 2.063 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000622948478 364838842 /nfs/dbraw/zinc/83/88/42/364838842.db2.gz IHMUVLYONHCLGJ-XYJFISCASA-N 0 0 319.449 2.476 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1Cc2ccccc2NC(=O)[C@@H]1C ZINC000623288977 364967732 /nfs/dbraw/zinc/96/77/32/364967732.db2.gz JDWBWAPVEZUAAC-AWEZNQCLSA-N 0 0 315.417 2.254 10 30 DEEERN C=CCCn1cc(CN2Cc3ccccc3NC(=O)[C@@H]2C)nn1 ZINC000623291066 364970051 /nfs/dbraw/zinc/97/00/51/364970051.db2.gz ARVKHBARDJLWOP-ZDUSSCGKSA-N 0 0 311.389 2.197 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCCCN2CCCCCC2=O)C1 ZINC000623343514 364993172 /nfs/dbraw/zinc/99/31/72/364993172.db2.gz XUFDQOGQNZPAKT-OAHLLOKOSA-N 0 0 307.438 2.387 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCCNC(=O)c1cccs1 ZINC000623471617 365041255 /nfs/dbraw/zinc/04/12/55/365041255.db2.gz HTFCRZDQGCXOPE-UHFFFAOYSA-N 0 0 309.435 2.379 10 30 DEEERN C=CCCOCCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000623809371 365181085 /nfs/dbraw/zinc/18/10/85/365181085.db2.gz AHEAEQVRUAXJFF-MRXNPFEDSA-N 0 0 309.454 2.285 10 30 DEEERN C[C@@H](NC(=O)c1ccncc1C#CCCO)c1cccs1 ZINC000091457747 193058274 /nfs/dbraw/zinc/05/82/74/193058274.db2.gz OMUZSBJBNRNBEG-GFCCVEGCSA-N 0 0 300.383 2.368 10 30 DEEERN C[C@H](NC(=O)c1ccncc1C#CCCO)c1ccsc1 ZINC000091459287 193058591 /nfs/dbraw/zinc/05/85/91/193058591.db2.gz OJZZFQIGLSLSHW-LBPRGKRZSA-N 0 0 300.383 2.368 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2ncn(-c3ccccc3)n2)C1 ZINC000624131534 365300714 /nfs/dbraw/zinc/30/07/14/365300714.db2.gz QOTTXUHSYXQYMW-CQSZACIVSA-N 0 0 311.389 2.375 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2cccc(S(C)(=O)=O)c2)C1 ZINC000624156730 365311149 /nfs/dbraw/zinc/31/11/49/365311149.db2.gz LGOBDMBIWAXHSV-CYBMUJFWSA-N 0 0 322.430 2.198 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@H](CO)[C@H]1CCC[C@H](OC)C1 ZINC000624459441 365428201 /nfs/dbraw/zinc/42/82/01/365428201.db2.gz CDFXLFUFILVOIQ-SOUVJXGZSA-N 0 0 312.454 2.454 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCC1CCc2ccccc2CC1 ZINC000624476505 365436052 /nfs/dbraw/zinc/43/60/52/365436052.db2.gz VEPMHQPOJUMMKC-QGZVFWFLSA-N 0 0 302.418 2.418 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](CCc1ccccc1)C(F)F ZINC000624619766 365493432 /nfs/dbraw/zinc/49/34/32/365493432.db2.gz LDVHFGFIEVKNPC-ZIAGYGMSSA-N 0 0 312.360 2.489 10 30 DEEERN Cn1c(C#N)ccc1C(=O)Nc1ccc(OCC(C)(C)O)cc1 ZINC000449894054 241222421 /nfs/dbraw/zinc/22/24/21/241222421.db2.gz DSWUQDBVSULQMX-UHFFFAOYSA-N 0 0 313.357 2.299 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)Nc1cnc(OC)c(OC)c1 ZINC000629254378 367135235 /nfs/dbraw/zinc/13/52/35/367135235.db2.gz KMMZDRQOTCJUHX-LBPRGKRZSA-N 0 0 307.394 2.324 10 30 DEEERN C=CCn1c(SCCc2cn(C)nn2)nnc1-c1ccco1 ZINC000629112205 367083120 /nfs/dbraw/zinc/08/31/20/367083120.db2.gz QYSXWFCLLMKDRZ-UHFFFAOYSA-N 0 0 316.390 2.187 10 30 DEEERN C=C(CN1C(=O)N[C@@H](C[C@H]2CCCOC2)C1=O)c1ccccc1 ZINC000629470087 367210677 /nfs/dbraw/zinc/21/06/77/367210677.db2.gz HXEDUVZZWSRHCB-ZBFHGGJFSA-N 0 0 314.385 2.437 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000450640742 242044105 /nfs/dbraw/zinc/04/41/05/242044105.db2.gz ADPFEUWHEAKWKR-MCIONIFRSA-N 0 0 309.406 2.158 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CCO[C@@H](C3CC3)C2)cc1 ZINC000450757289 242181295 /nfs/dbraw/zinc/18/12/95/242181295.db2.gz MJRVCOQKMJEBPX-QGZVFWFLSA-N 0 0 301.386 2.431 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2ccc3c(c2)OC(F)(F)O3)C1=O ZINC000630506399 367696162 /nfs/dbraw/zinc/69/61/62/367696162.db2.gz OKZKOJIRZGVPCT-VIFPVBQESA-N 0 0 310.256 2.399 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CC[C@@H]2COc3ccccc3O2)C1=O ZINC000630972571 367944275 /nfs/dbraw/zinc/94/42/75/367944275.db2.gz IFVAYFPERSCKOC-CHWSQXEVSA-N 0 0 316.357 2.103 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCc2ccn(-c3ccccc3)n2)C1=O ZINC000630973889 367945450 /nfs/dbraw/zinc/94/54/50/367945450.db2.gz SJGXUVXIQAWZQY-INIZCTEOSA-N 0 0 324.384 2.301 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H](COC)c2ccc(CC)o2)C1=O ZINC000630975988 367946598 /nfs/dbraw/zinc/94/65/98/367946598.db2.gz LRVPMDRNMWUOCR-CHWSQXEVSA-N 0 0 306.362 2.416 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@](C)(OC)c2ccccc2)C1=O ZINC000630982230 367949354 /nfs/dbraw/zinc/94/93/54/367949354.db2.gz JYYMWCYTEHYYLX-PBHICJAKSA-N 0 0 302.374 2.435 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2cnccc2C(F)(F)F)C1=O ZINC000630985106 367950563 /nfs/dbraw/zinc/95/05/63/367950563.db2.gz DAEMPJYMGHGQQN-NSHDSACASA-N 0 0 313.279 2.487 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2CCC[C@@H]2Cc2cnn(C)c2)C1=O ZINC000630988917 367952919 /nfs/dbraw/zinc/95/29/19/367952919.db2.gz WRQSWHGIVCOBDF-ILXRZTDVSA-N 0 0 316.405 2.018 10 30 DEEERN CC(=O)c1cccc(C#N)c1OCC(=O)NC(C1CC1)C1CC1 ZINC000631027663 367975307 /nfs/dbraw/zinc/97/53/07/367975307.db2.gz DFNPPTQELPGRFT-UHFFFAOYSA-N 0 0 312.369 2.444 10 30 DEEERN CC(=O)c1cccc(C#N)c1OCC(=O)N1CCC[C@H](C)C1 ZINC000631027874 367975350 /nfs/dbraw/zinc/97/53/50/367975350.db2.gz HPSHTUKRIXPRMF-LBPRGKRZSA-N 0 0 300.358 2.398 10 30 DEEERN C=CCOc1ccc(CC(=O)N(CCOC)[C@H]2CCOC2)cc1 ZINC000451280946 242799770 /nfs/dbraw/zinc/79/97/70/242799770.db2.gz IEZBZOVSBBJUAJ-INIZCTEOSA-N 0 0 319.401 2.058 10 30 DEEERN C=C1CC(C)(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)C1 ZINC000631361267 368177015 /nfs/dbraw/zinc/17/70/15/368177015.db2.gz SOBHVCCLZKXFCJ-UHFFFAOYSA-N 0 0 308.403 2.031 10 30 DEEERN C=CCCCCCN(C)C(=O)c1cc(N2CCOCC2)ncn1 ZINC000631436185 368223010 /nfs/dbraw/zinc/22/30/10/368223010.db2.gz IWLCACCJMOGABQ-UHFFFAOYSA-N 0 0 318.421 2.132 10 30 DEEERN C=CCC[C@@H](NC(=O)CC1CS(=O)(=O)C1)c1ccccc1 ZINC000632002413 368487648 /nfs/dbraw/zinc/48/76/48/368487648.db2.gz UWMGODUCAOUOFK-OAHLLOKOSA-N 0 0 307.415 2.245 10 30 DEEERN C=CCOc1ccc(C(=O)NCC2=CCOCC2)cc1OC ZINC000452406193 244253614 /nfs/dbraw/zinc/25/36/14/244253614.db2.gz GBMJPDGAYXVALZ-UHFFFAOYSA-N 0 0 303.358 2.337 10 30 DEEERN CCCN[C@]1(C#N)CCC[C@H]1CCSCCS(C)(=O)=O ZINC000093581529 193270375 /nfs/dbraw/zinc/27/03/75/193270375.db2.gz BLTNRCCFSNZOMU-KBPBESRZSA-N 0 0 318.508 2.216 10 30 DEEERN Cc1nsc(N2CCCN(Cc3ccc(C#N)o3)CC2)n1 ZINC000093716821 193297113 /nfs/dbraw/zinc/29/71/13/193297113.db2.gz KWXRYTDOQYQOSP-UHFFFAOYSA-N 0 0 303.391 2.024 10 30 DEEERN CCCc1cc(=O)[nH]c(S[C@@H]2CCC[C@](C#N)(NC)C2)n1 ZINC000093746884 193299420 /nfs/dbraw/zinc/29/94/20/193299420.db2.gz QIXFSORNRQHLRZ-DOMZBBRYSA-N 0 0 306.435 2.239 10 30 DEEERN CC(C)N[C@@]1(C#N)CCC[C@H](Sc2nnnn2C2CC2)C1 ZINC000093746947 193300654 /nfs/dbraw/zinc/30/06/54/193300654.db2.gz VAXAGTHLLSAAHP-JSGCOSHPSA-N 0 0 306.439 2.303 10 30 DEEERN CCCN[C@@]1(C#N)CCC[C@@H](Sc2nc(C)cc(=O)[nH]2)C1 ZINC000093746981 193300797 /nfs/dbraw/zinc/30/07/97/193300797.db2.gz JAOPPFFFLHGPDZ-DOMZBBRYSA-N 0 0 306.435 2.375 10 30 DEEERN C[C@H](NC(=O)c1csc(C#CCCO)c1)c1ccncc1 ZINC000093973838 193332530 /nfs/dbraw/zinc/33/25/30/193332530.db2.gz FKFBREGOODFQQR-LBPRGKRZSA-N 0 0 300.383 2.368 10 30 DEEERN C[C@H](Cc1ccco1)NC(=O)c1csc(C#CCCO)c1 ZINC000093974388 193333135 /nfs/dbraw/zinc/33/31/35/193333135.db2.gz CNKPMAOMHRLPQN-GFCCVEGCSA-N 0 0 303.383 2.436 10 30 DEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1N ZINC000094045956 193341828 /nfs/dbraw/zinc/34/18/28/193341828.db2.gz YHYPPMUZSQFBRZ-PRHODGIISA-N 0 0 308.179 2.453 10 30 DEEERN Cc1cc(Cl)c(S(=O)(=O)N(CCC#N)C2CC2)cc1N ZINC000094638329 193387604 /nfs/dbraw/zinc/38/76/04/193387604.db2.gz SKGYPJAIACCOGE-UHFFFAOYSA-N 0 0 313.810 2.297 10 30 DEEERN Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H](C)CC#N)cc1N ZINC000094639105 193388275 /nfs/dbraw/zinc/38/82/75/193388275.db2.gz DBJJJNLMULAYLB-VIFPVBQESA-N 0 0 301.799 2.153 10 30 DEEERN OCC#Cc1cccc(O[C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000094408406 193368043 /nfs/dbraw/zinc/36/80/43/193368043.db2.gz AVCMRGJANNOOCB-SJORKVTESA-N 0 0 304.411 2.464 10 30 DEEERN CO[C@H]1CCC[C@@H]1NC(=O)c1cc(C)c(C#CCCO)s1 ZINC000094535093 193377652 /nfs/dbraw/zinc/37/76/52/193377652.db2.gz PRRRGKQACSVELR-STQMWFEESA-N 0 0 307.415 2.088 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000453740264 245269638 /nfs/dbraw/zinc/26/96/38/245269638.db2.gz OIDNZXQIJSVYHB-CQSZACIVSA-N 0 0 312.369 2.321 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=S)NC(=O)C(C)(C)C ZINC000008556044 181563938 /nfs/dbraw/zinc/56/39/38/181563938.db2.gz QLJFLPVRJZKIIZ-UHFFFAOYSA-N 0 0 319.430 2.462 10 30 DEEERN Cn1ncc(C#N)c1NC(=O)c1ccc(Br)cc1 ZINC000011226338 181687445 /nfs/dbraw/zinc/68/74/45/181687445.db2.gz CXNVBJZJPWINAZ-UHFFFAOYSA-N 0 0 305.135 2.307 10 30 DEEERN C=C(Br)CNC(=O)c1snnc1C(C)(C)C ZINC000161533227 197501771 /nfs/dbraw/zinc/50/17/71/197501771.db2.gz MCZGRCITHBHZRN-UHFFFAOYSA-N 0 0 304.213 2.474 10 30 DEEERN C=C(C)CCNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000454938947 246271951 /nfs/dbraw/zinc/27/19/51/246271951.db2.gz UMXANCBQGLTGJG-GOEBONIOSA-N 0 0 315.417 2.441 10 30 DEEERN C=CCOc1ccccc1C(=O)N(C)CC(=O)NC(C)(C)C ZINC000030563079 182592561 /nfs/dbraw/zinc/59/25/61/182592561.db2.gz YHJLSPOPABUBJG-UHFFFAOYSA-N 0 0 304.390 2.238 10 30 DEEERN C=CCC[C@H](NC(=O)c1oc(C2CC2)nc1C)C(=O)OCC ZINC000456603200 247306379 /nfs/dbraw/zinc/30/63/79/247306379.db2.gz ILGMGTPYIZICEQ-LBPRGKRZSA-N 0 0 306.362 2.488 10 30 DEEERN C[C@H](NC(=O)c1ccc(C#N)o1)C(=O)N1c2ccccc2C[C@H]1C ZINC000456657792 247342336 /nfs/dbraw/zinc/34/23/36/247342336.db2.gz RHGMXTYZORYSNY-NEPJUHHUSA-N 0 0 323.352 2.247 10 30 DEEERN COc1cc(F)cc(C[C@@H](C)NC(=O)c2ccc(C#N)n2C)c1 ZINC000457063091 247578302 /nfs/dbraw/zinc/57/83/02/247578302.db2.gz FRGUMZGURCYLDZ-LLVKDONJSA-N 0 0 315.348 2.405 10 30 DEEERN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000457828726 248034659 /nfs/dbraw/zinc/03/46/59/248034659.db2.gz JXCKGTVXGBVDNN-MTSZKFMLSA-N 0 0 307.434 2.367 10 30 DEEERN C=CCOc1ccccc1CNC(=O)NCc1nnc(CC)o1 ZINC000458381345 248283457 /nfs/dbraw/zinc/28/34/57/248283457.db2.gz QBNGWSLWTMAEKD-UHFFFAOYSA-N 0 0 316.361 2.196 10 30 DEEERN CCn1c(-c2ccc(Cl)cc2)c(C#N)c(=O)n(CC)c1=O ZINC000039379058 183017463 /nfs/dbraw/zinc/01/74/63/183017463.db2.gz UVIYKEMNNWBWOJ-UHFFFAOYSA-N 0 0 303.749 2.242 10 30 DEEERN CC(C)CCNc1ncnc(N(CCC#N)CCC#N)c1N ZINC000040751872 183129039 /nfs/dbraw/zinc/12/90/39/183129039.db2.gz YPVJGZFBEZLJST-UHFFFAOYSA-N 0 0 301.398 2.151 10 30 DEEERN C[C@H](C#N)CN(C)CC(=O)Nc1cccc(Br)c1 ZINC000042324806 183254334 /nfs/dbraw/zinc/25/43/34/183254334.db2.gz DIIKBVWBMBXEHV-SNVBAGLBSA-N 0 0 310.195 2.479 10 30 DEEERN C=C(Br)CN1C(=O)C(=O)c2c1cc(F)cc2F ZINC000042134861 183234390 /nfs/dbraw/zinc/23/43/90/183234390.db2.gz PSAWLDWFEKPITI-UHFFFAOYSA-N 0 0 302.074 2.403 10 30 DEEERN CC[C@](C)(C#N)NS(=O)(=O)c1sccc1Br ZINC000042524377 183280048 /nfs/dbraw/zinc/28/00/48/183280048.db2.gz CZLJXLYKAMYRQI-SECBINFHSA-N 0 0 323.237 2.481 10 30 DEEERN C[C@H](C(=O)Nc1ccc(C#N)cc1)N(C)Cc1cscn1 ZINC000042865079 183314813 /nfs/dbraw/zinc/31/48/13/183314813.db2.gz BCBQUTAHAZBERA-LLVKDONJSA-N 0 0 300.387 2.474 10 30 DEEERN C[C@@H](N(C)S(=O)(=O)c1ccc(C#CCO)cc1)C(C)(C)C ZINC000042798027 183310589 /nfs/dbraw/zinc/31/05/89/183310589.db2.gz JXQXQQKXGQJKIY-CYBMUJFWSA-N 0 0 309.431 2.086 10 30 DEEERN Cc1cnn([C@@H]2CCCN(CC(=O)Nc3cccc(C#N)c3)C2)c1 ZINC000105900021 194164701 /nfs/dbraw/zinc/16/47/01/194164701.db2.gz ZRVWSJWRAMSPAA-QGZVFWFLSA-N 0 0 323.400 2.339 10 30 DEEERN CC[C@H](C#N)N1CCN(C(=O)c2ccc(Cl)cc2O)CC1 ZINC000109446387 194263720 /nfs/dbraw/zinc/26/37/20/194263720.db2.gz HXKIDKCUILJUBQ-GFCCVEGCSA-N 0 0 307.781 2.106 10 30 DEEERN CC(C)COC1CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000054322035 183934102 /nfs/dbraw/zinc/93/41/02/183934102.db2.gz CWJLLLOCBPTZGT-QGZVFWFLSA-N 0 0 309.454 2.178 10 30 DEEERN COc1ccccc1C(=O)CNC(=O)Cc1cccc(C#N)c1 ZINC000534944865 284861785 /nfs/dbraw/zinc/86/17/85/284861785.db2.gz FZMRVCRBWGBVST-UHFFFAOYSA-N 0 0 308.337 2.108 10 30 DEEERN CN(Cc1cccnc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055215955 183971874 /nfs/dbraw/zinc/97/18/74/183971874.db2.gz GHZFWFJTGFDLHU-UHFFFAOYSA-N 0 0 321.789 2.427 10 30 DEEERN Cc1ccc(N)cc1S(=O)(=O)N(C)c1cccc(C#N)c1 ZINC000061979711 184200007 /nfs/dbraw/zinc/20/00/07/184200007.db2.gz JRAHSVPXAQOQRY-UHFFFAOYSA-N 0 0 301.371 2.274 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1COc2ccccc21 ZINC000114738481 194688655 /nfs/dbraw/zinc/68/86/55/194688655.db2.gz LPZOFSWXKRDMCW-CQSZACIVSA-N 0 0 314.366 2.279 10 30 DEEERN C#CC[C@@H](NC(=O)N1CCC[C@H](C(=O)OC)C1)c1ccccc1 ZINC000270193333 208255212 /nfs/dbraw/zinc/25/52/12/208255212.db2.gz DDFJVKYOVWCZHU-JKSUJKDBSA-N 0 0 314.385 2.346 10 30 DEEERN C=CCS(=O)(=O)CCNC(=O)N(C)[C@@H](C)c1ccccc1C ZINC000273017144 210397845 /nfs/dbraw/zinc/39/78/45/210397845.db2.gz WIQNHMFCMNKWFQ-AWEZNQCLSA-N 0 0 324.446 2.298 10 30 DEEERN C=CCn1ncc(NCc2ccoc2)c(Br)c1=O ZINC000158940230 197312742 /nfs/dbraw/zinc/31/27/42/197312742.db2.gz ZGWJPZHSVJLKIZ-UHFFFAOYSA-N 0 0 310.151 2.397 10 30 DEEERN CN(CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccoc1 ZINC000158824221 197304322 /nfs/dbraw/zinc/30/43/22/197304322.db2.gz HEYOYZWDVGWDKY-UHFFFAOYSA-N 0 0 304.371 2.057 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cccc(CC#N)c1 ZINC000249271518 533087628 /nfs/dbraw/zinc/08/76/28/533087628.db2.gz JFQCEOJSQYGTMI-JYJNAYRXSA-N 0 0 312.369 2.166 10 30 DEEERN CC[C@H]1CN(C(=O)c2ccc(C#CCCO)s2)CCS1 ZINC000157967013 197231082 /nfs/dbraw/zinc/23/10/82/197231082.db2.gz JXFRJOJCCUTASK-LBPRGKRZSA-N 0 0 309.456 2.450 10 30 DEEERN N#C[C@@]1([C@@H](O)c2csc3ccccc32)CCS(=O)(=O)C1 ZINC000157648081 197204998 /nfs/dbraw/zinc/20/49/98/197204998.db2.gz WWBJATCSZSTNGR-KBPBESRZSA-N 0 0 307.396 2.263 10 30 DEEERN C=CCNC(=O)[C@H](C)Oc1ccc(Br)cc1C#N ZINC000157470943 197189912 /nfs/dbraw/zinc/18/99/12/197189912.db2.gz QXHFOHRWUINIKQ-VIFPVBQESA-N 0 0 309.163 2.390 10 30 DEEERN C#CCn1ncc(N[C@@H]2CCC[C@@H]2C)c(Br)c1=O ZINC000157417779 197186272 /nfs/dbraw/zinc/18/62/72/197186272.db2.gz OEAWLSJHNUCHBL-VHSXEESVSA-N 0 0 310.195 2.240 10 30 DEEERN O=C(NCc1cccc(C#CCCO)c1)[C@@H]1CCCCS1 ZINC000156273078 197100452 /nfs/dbraw/zinc/10/04/52/197100452.db2.gz AWWIWOFGEWILBL-INIZCTEOSA-N 0 0 303.427 2.322 10 30 DEEERN CN(Cc1cccc(C#CCO)c1)C(=O)[C@H]1CCCCS1 ZINC000156271434 197100537 /nfs/dbraw/zinc/10/05/37/197100537.db2.gz LKIVDPNVIGWXCJ-MRXNPFEDSA-N 0 0 303.427 2.275 10 30 DEEERN C[C@H](NC(=O)[C@@H]1CCCCS1)c1cccc(C#CCO)c1 ZINC000156271809 197100277 /nfs/dbraw/zinc/10/02/77/197100277.db2.gz VFGAMGMKPLUOJI-BBRMVZONSA-N 0 0 303.427 2.493 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc2c(c1)OCC(=O)N2 ZINC000120737690 195227498 /nfs/dbraw/zinc/22/74/98/195227498.db2.gz ZNGPYYMFVPZFDL-GFCCVEGCSA-N 0 0 315.373 2.019 10 30 DEEERN O=C(C#Cc1ccccc1)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000152791496 196823983 /nfs/dbraw/zinc/82/39/83/196823983.db2.gz KCMBSRJWVICNOV-GOSISDBHSA-N 0 0 324.424 2.336 10 30 DEEERN Cc1ccn(-c2ccccc2NCC(=O)N[C@](C)(C#N)C2CC2)n1 ZINC000124480506 224617200 /nfs/dbraw/zinc/61/72/00/224617200.db2.gz KQKBKKIEKHCJTC-GOSISDBHSA-N 0 0 323.400 2.401 10 30 DEEERN COC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000544627769 285365272 /nfs/dbraw/zinc/36/52/72/285365272.db2.gz MXPPKAVATKODSC-NSHDSACASA-N 0 0 306.749 2.237 10 30 DEEERN N#Cc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2F)cn1 ZINC000122063278 195396064 /nfs/dbraw/zinc/39/60/64/195396064.db2.gz MEMFEFCRCCQMJT-UHFFFAOYSA-N 0 0 313.260 2.171 10 30 DEEERN C#CCNC(=O)[C@H](C)Sc1ccc(N)cc1Br ZINC000127312487 195865998 /nfs/dbraw/zinc/86/59/98/195865998.db2.gz YRPGPABQLNWLOG-QMMMGPOBSA-N 0 0 313.220 2.261 10 30 DEEERN N#Cc1cc(C(F)(F)F)ccc1N1C(=O)CSCC1=O ZINC000128437892 195964539 /nfs/dbraw/zinc/96/45/39/195964539.db2.gz FIBAHJFQYCFQCR-UHFFFAOYSA-N 0 0 300.261 2.183 10 30 DEEERN COC(=O)c1c(C)nc(=O)[nH]c1SCC#Cc1ccccc1 ZINC000191735541 533660282 /nfs/dbraw/zinc/66/02/82/533660282.db2.gz IRKCZCWKDZZZKZ-UHFFFAOYSA-N 0 0 314.366 2.009 10 30 DEEERN C[C@H]1CC[C@H](C(N)=O)CN1c1ccc(C#N)cc1Br ZINC000213309735 132549950 /nfs/dbraw/zinc/54/99/50/132549950.db2.gz KTRHPYWWVNKFOJ-ONGXEEELSA-N 0 0 322.206 2.411 10 30 DEEERN N#Cc1ccnc(NC(=O)CCc2nc(-c3ccco3)no2)c1 ZINC000357404037 133076019 /nfs/dbraw/zinc/07/60/19/133076019.db2.gz VPKAXMJOKFNBCX-UHFFFAOYSA-N 0 0 309.285 2.168 10 30 DEEERN C[C@H](C(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C)n1cnc(C#N)n1 ZINC000360689354 133194926 /nfs/dbraw/zinc/19/49/26/133194926.db2.gz MOBIJEYOEQUBHE-UPJWGTAASA-N 0 0 303.410 2.384 10 30 DEEERN COC[C@@](C)(NC(=O)CNc1ccc(C#N)cc1)C(F)(F)F ZINC000362202611 133216586 /nfs/dbraw/zinc/21/65/86/133216586.db2.gz IEFPSEXELQUOGO-CYBMUJFWSA-N 0 0 315.295 2.054 10 30 DEEERN C=CCc1ccc(OCC(=O)N2CCC(=O)[C@H](C)C2)c(OC)c1 ZINC000356374904 404483409 /nfs/dbraw/zinc/48/34/09/404483409.db2.gz TVPKYQZPBJQXOM-CYBMUJFWSA-N 0 0 317.385 2.240 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(CCO)Cc1ccccc1 ZINC000097206351 144617957 /nfs/dbraw/zinc/61/79/57/144617957.db2.gz RVTGVOWEAWKPKT-OAHLLOKOSA-N 0 0 324.380 2.347 10 30 DEEERN N#Cc1c(F)cccc1C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000188597200 145014367 /nfs/dbraw/zinc/01/43/67/145014367.db2.gz BCGFGMITOWNUPJ-ZDUSSCGKSA-N 0 0 311.316 2.386 10 30 DEEERN N#Cc1c(F)cccc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000189214701 145023629 /nfs/dbraw/zinc/02/36/29/145023629.db2.gz LVMPXMOODBNIOG-PXAZEXFGSA-N 0 0 302.349 2.465 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(F)cc1C#N ZINC000191182744 145054235 /nfs/dbraw/zinc/05/42/35/145054235.db2.gz SRHNGMJUSGEGNR-WQVCFCJDSA-N 0 0 302.349 2.471 10 30 DEEERN N#Cc1ccc(CN[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)o1 ZINC000191771149 145064385 /nfs/dbraw/zinc/06/43/85/145064385.db2.gz FXBFKEXWPWFSIZ-MRXNPFEDSA-N 0 0 313.332 2.181 10 30 DEEERN CCc1nc(NC(=O)c2ccnc(C#N)c2)sc1C(=O)OC ZINC000192979062 145080984 /nfs/dbraw/zinc/08/09/84/145080984.db2.gz AQXBUQZMUFUAIX-UHFFFAOYSA-N 0 0 316.342 2.011 10 30 DEEERN COC(=O)[C@H](C)[C@@H](NC(=O)c1ccnc(C#N)c1)c1ccccc1 ZINC000193427849 145085866 /nfs/dbraw/zinc/08/58/66/145085866.db2.gz BOZBUWQXNOHQMG-MLGOLLRUSA-N 0 0 323.352 2.233 10 30 DEEERN CCOCCN1CCN(c2ncc(C#N)cc2Cl)C[C@H]1C ZINC000246773868 145113779 /nfs/dbraw/zinc/11/37/79/145113779.db2.gz PABWIKLROHULMT-GFCCVEGCSA-N 0 0 308.813 2.154 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(CCOc3ccccc3C#N)[C@H]2C1 ZINC000247218400 145129807 /nfs/dbraw/zinc/12/98/07/145129807.db2.gz ZAEYZXXFEQHGMI-SOLBZPMBSA-N 0 0 316.401 2.205 10 30 DEEERN N#Cc1cccc(CN2CCN(c3ncccc3C#N)CC2)c1 ZINC000247661082 145143002 /nfs/dbraw/zinc/14/30/02/145143002.db2.gz SLFGWQNUCQUTOP-UHFFFAOYSA-N 0 0 303.369 2.147 10 30 DEEERN CCSCC[C@@H](C)NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000312506917 145354520 /nfs/dbraw/zinc/35/45/20/145354520.db2.gz FXFYJHHEVUQSSM-SNVBAGLBSA-N 0 0 313.448 2.072 10 30 DEEERN COCCC1(C)CN(C(=O)NCCc2cccc(C#N)c2)C1 ZINC000359096259 147261170 /nfs/dbraw/zinc/26/11/70/147261170.db2.gz CIPQRUQQOGDBOM-UHFFFAOYSA-N 0 0 301.390 2.169 10 30 DEEERN N#Cc1c(F)cccc1C(=O)N[C@H]1CCN(c2cccnc2)C1 ZINC000372408138 148204481 /nfs/dbraw/zinc/20/44/81/148204481.db2.gz GENZSMSISCXFGN-LBPRGKRZSA-N 0 0 310.332 2.101 10 30 DEEERN Cc1ncc(S(=O)(=O)N2C[C@H](C)CCC[C@@H]2C)cc1C#N ZINC000408362950 148594780 /nfs/dbraw/zinc/59/47/80/148594780.db2.gz SGJGZCBKBSRRNK-NEPJUHHUSA-N 0 0 307.419 2.461 10 30 DEEERN CC(=O)c1ccc2c(c1)CCN(c1ccc(C#N)c(N)n1)CC2 ZINC000565903078 292190535 /nfs/dbraw/zinc/19/05/35/292190535.db2.gz DUWPXCYTTPCXBQ-UHFFFAOYSA-N 0 0 306.369 2.343 10 30 DEEERN N#CCC[C@@H](C#N)CN1CCC(c2nnc3ccccn32)CC1 ZINC000112560592 401749183 /nfs/dbraw/zinc/74/91/83/401749183.db2.gz SYDXTAIVDMOAIN-AWEZNQCLSA-N 0 0 308.389 2.352 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccc(C#N)cc3C)[C@H]2C1 ZINC000127858058 401752750 /nfs/dbraw/zinc/75/27/50/401752750.db2.gz NVZJCVVMVYWIOO-HYVNUMGLSA-N 0 0 314.385 2.275 10 30 DEEERN CO[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000076389165 401793478 /nfs/dbraw/zinc/79/34/78/401793478.db2.gz BDCKVJKEHNQJRC-NSHDSACASA-N 0 0 314.794 2.011 10 30 DEEERN N#Cc1cccc(NC(=O)CN2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114201836 401794573 /nfs/dbraw/zinc/79/45/73/401794573.db2.gz QBNNPZSNBXTUAT-MRXNPFEDSA-N 0 0 309.373 2.447 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(OC)c(OCC)c1 ZINC000077862542 401835364 /nfs/dbraw/zinc/83/53/64/401835364.db2.gz QURXSTWLJUYYPU-UHFFFAOYSA-N 0 0 320.389 2.457 10 30 DEEERN C=CCCO[C@H](C)C(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000078598867 401857313 /nfs/dbraw/zinc/85/73/13/401857313.db2.gz ZORWHUKDMUSDBT-ZBFHGGJFSA-N 0 0 316.401 2.232 10 30 DEEERN CCOCCN1CCN(C(=O)c2cccc(C#N)c2)C[C@H]1CC ZINC000116769591 401858504 /nfs/dbraw/zinc/85/85/04/401858504.db2.gz NKZJPCLMAJTZFF-QGZVFWFLSA-N 0 0 315.417 2.131 10 30 DEEERN C[C@@H]1CCC[C@](C#N)(NC(=O)c2cccc3c2OCC(=O)N3)C1 ZINC000116798731 401859830 /nfs/dbraw/zinc/85/98/30/401859830.db2.gz LPXACLHPXSVNFL-DIFFPNOSSA-N 0 0 313.357 2.220 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N(CCC(N)=O)c1ccccc1 ZINC000119165247 401930141 /nfs/dbraw/zinc/93/01/41/401930141.db2.gz ZXCJWCNVQVYBPF-UHFFFAOYSA-N 0 0 307.353 2.389 10 30 DEEERN C=CCOCCCC(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000079479232 401873649 /nfs/dbraw/zinc/87/36/49/401873649.db2.gz DWQKAONAOBLRRI-GFCCVEGCSA-N 0 0 323.418 2.055 10 30 DEEERN C[C@@H](NC(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1ccncc1 ZINC000133212220 401880383 /nfs/dbraw/zinc/88/03/83/401880383.db2.gz GFCQKVABUKSNCV-CYBMUJFWSA-N 0 0 322.368 2.487 10 30 DEEERN OC[C@H](O)CSCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000135310176 401935179 /nfs/dbraw/zinc/93/51/79/401935179.db2.gz CJCZRRITBZDNLX-NSHDSACASA-N 0 0 306.305 2.023 10 30 DEEERN C#CCCCCNC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000133915624 401896018 /nfs/dbraw/zinc/89/60/18/401896018.db2.gz HHFMMUSNPQSJCV-UHFFFAOYSA-N 0 0 314.433 2.462 10 30 DEEERN C[C@@H]1CC[C@H](C)CN1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081517244 401896602 /nfs/dbraw/zinc/89/66/02/401896602.db2.gz ICEXIZZBLXUIRO-UONOGXRCSA-N 0 0 306.431 2.452 10 30 DEEERN CC#CCNC(=O)N1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000136052989 401958671 /nfs/dbraw/zinc/95/86/71/401958671.db2.gz AUGODOXMAVFWHZ-ZDUSSCGKSA-N 0 0 302.374 2.226 10 30 DEEERN Cc1cccn2c1ncc(C(=O)Nc1ccc(C#N)cc1)c2=O ZINC000090997110 401990298 /nfs/dbraw/zinc/99/02/98/401990298.db2.gz FNKSAXKNCRFBAT-UHFFFAOYSA-N 0 0 304.309 2.127 10 30 DEEERN N#CC1(C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)CCC1 ZINC000120595509 401995205 /nfs/dbraw/zinc/99/52/05/401995205.db2.gz SZOVESMTMGFHEL-UHFFFAOYSA-N 0 0 317.433 2.368 10 30 DEEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1c(F)cc(C#N)cc1F ZINC000119403708 401947413 /nfs/dbraw/zinc/94/74/13/401947413.db2.gz OJBLMZFYJAIFMB-GFCCVEGCSA-N 0 0 317.299 2.001 10 30 DEEERN C#CCCCCNC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000151089709 402015141 /nfs/dbraw/zinc/01/51/41/402015141.db2.gz ZIJMIKCIFWEKOH-UHFFFAOYSA-N 0 0 314.433 2.462 10 30 DEEERN COc1cccnc1N(C)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000121169478 402017906 /nfs/dbraw/zinc/01/79/06/402017906.db2.gz RKPDZEHKSLCRNQ-GFCCVEGCSA-N 0 0 311.341 2.392 10 30 DEEERN COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)C(C)(C)C#N)C1 ZINC000151397013 402033866 /nfs/dbraw/zinc/03/38/66/402033866.db2.gz LWHYPIBLPUGQBG-CABCVRRESA-N 0 0 314.385 2.341 10 30 DEEERN C=C(C)COCCNC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000151528746 402041362 /nfs/dbraw/zinc/04/13/62/402041362.db2.gz YVJXRUDQEAVGSJ-OAHLLOKOSA-N 0 0 320.437 2.476 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cn1cc(C)cn1 ZINC000062897233 402111054 /nfs/dbraw/zinc/11/10/54/402111054.db2.gz HYLPPSMADMYAMY-UHFFFAOYSA-N 0 0 314.345 2.315 10 30 DEEERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccc(C#N)cc1C ZINC000122098248 402061259 /nfs/dbraw/zinc/06/12/59/402061259.db2.gz ZKSWHUBDGWQUJO-INIZCTEOSA-N 0 0 313.401 2.340 10 30 DEEERN C[C@H](C(=O)N(CCC#N)Cc1cccnc1)C1CCOCC1 ZINC000123463075 402129364 /nfs/dbraw/zinc/12/93/64/402129364.db2.gz CPAYFGNGCZXXRL-AWEZNQCLSA-N 0 0 301.390 2.387 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000066376590 402131582 /nfs/dbraw/zinc/13/15/82/402131582.db2.gz MEZHBYWNEJTIMW-JTQLQIEISA-N 0 0 303.391 2.165 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000123661302 402140303 /nfs/dbraw/zinc/14/03/03/402140303.db2.gz JPSQATDIOLBQOT-HNNXBMFYSA-N 0 0 321.384 2.056 10 30 DEEERN C[C@H](C(=O)NCCOc1ccc(C#N)cc1)C1CCOCC1 ZINC000153573517 402153974 /nfs/dbraw/zinc/15/39/74/402153974.db2.gz BOOFSJWPFGYPKG-ZDUSSCGKSA-N 0 0 302.374 2.116 10 30 DEEERN C[C@H](NC(=O)c1ccc(C#N)cn1)c1ccc(-n2ccnn2)cc1 ZINC000153950934 402182330 /nfs/dbraw/zinc/18/23/30/402182330.db2.gz QKXGDWQLCRVAHV-LBPRGKRZSA-N 0 0 318.340 2.025 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000068539765 402201344 /nfs/dbraw/zinc/20/13/44/402201344.db2.gz NOPRRGJLICQZSP-QWHCGFSZSA-N 0 0 302.374 2.351 10 30 DEEERN N#Cc1nccn1Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000124030794 402160478 /nfs/dbraw/zinc/16/04/78/402160478.db2.gz HJPRDVKEAHRPPE-UHFFFAOYSA-N 0 0 323.381 2.441 10 30 DEEERN N#Cc1cnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cn1 ZINC000124219180 402169497 /nfs/dbraw/zinc/16/94/97/402169497.db2.gz VEOXRDTYBOPQRS-KRWDZBQOSA-N 0 0 312.348 2.437 10 30 DEEERN N#Cc1cnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)cn1 ZINC000124219436 402169571 /nfs/dbraw/zinc/16/95/71/402169571.db2.gz VEOXRDTYBOPQRS-QGZVFWFLSA-N 0 0 312.348 2.437 10 30 DEEERN CN(C(=O)NCCOc1ccc(C#N)cc1)[C@@H]1CCSC1 ZINC000125418847 402230902 /nfs/dbraw/zinc/23/09/02/402230902.db2.gz PBJCLBHFWLKWJM-CYBMUJFWSA-N 0 0 305.403 2.084 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)c1cc(C(N)=O)cn1C ZINC000154321475 402205975 /nfs/dbraw/zinc/20/59/75/402205975.db2.gz ONAKEPVXAAEXBL-UHFFFAOYSA-N 0 0 303.406 2.333 10 30 DEEERN CN1CC[C@@H](CNC(=O)C2(C#N)CCOCC2)c2ccccc21 ZINC000109140954 402269075 /nfs/dbraw/zinc/26/90/75/402269075.db2.gz RUPGIKRYENJZIO-AWEZNQCLSA-N 0 0 313.401 2.047 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H](O)c1cc(OC)cc(OC)c1 ZINC000184589584 402280001 /nfs/dbraw/zinc/28/00/01/402280001.db2.gz STJCXIDOJVXEKE-MLGOLLRUSA-N 0 0 307.390 2.456 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1n[nH]c(-c2ccccc2F)n1 ZINC000176132520 402281886 /nfs/dbraw/zinc/28/18/86/402281886.db2.gz JOWXCADPRXLCIL-UHFFFAOYSA-N 0 0 310.292 2.073 10 30 DEEERN CC(C)C[C@@H](CO)N(C)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000184630458 402286220 /nfs/dbraw/zinc/28/62/20/402286220.db2.gz IAGBLUHQADBRAH-HIFRSBDPSA-N 0 0 304.390 2.191 10 30 DEEERN CC[C@@H]1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000184643134 402287770 /nfs/dbraw/zinc/28/77/70/402287770.db2.gz SXEZSASCOOOLRI-GFCCVEGCSA-N 0 0 310.361 2.403 10 30 DEEERN C=CCN(CC=C)S(=O)(=O)c1cnccc1C(F)(F)F ZINC000220218737 402300829 /nfs/dbraw/zinc/30/08/29/402300829.db2.gz YCJCUIJSBMCVQK-UHFFFAOYSA-N 0 0 306.309 2.463 10 30 DEEERN Cc1oc(NC(=O)CN(C)[C@@H](CO)CC(C)C)c(C#N)c1C ZINC000185331142 402343925 /nfs/dbraw/zinc/34/39/25/402343925.db2.gz BBCXEIWCABGPBF-CYBMUJFWSA-N 0 0 307.394 2.045 10 30 DEEERN C#CCOCCC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC ZINC000160738779 402358891 /nfs/dbraw/zinc/35/88/91/402358891.db2.gz RGRXWUBQYXYPTA-INIZCTEOSA-N 0 0 317.385 2.407 10 30 DEEERN C=CC[C@H](CO)NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000185690650 402369830 /nfs/dbraw/zinc/36/98/30/402369830.db2.gz XAGQRBJYXRINSS-CHWSQXEVSA-N 0 0 318.200 2.470 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000185809317 402379141 /nfs/dbraw/zinc/37/91/41/402379141.db2.gz FRQSGTWSOWUDKP-GFCCVEGCSA-N 0 0 317.307 2.223 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCc1ccccc1Br ZINC000185819455 402379881 /nfs/dbraw/zinc/37/98/81/402379881.db2.gz BJBAJIHDRGVUFA-GFCCVEGCSA-N 0 0 312.207 2.435 10 30 DEEERN Cc1ccc(NC(=O)c2ccc(C#N)cc2C)cc1-n1cnnn1 ZINC000161275018 402380075 /nfs/dbraw/zinc/38/00/75/402380075.db2.gz JZOZAYQFNBCVTH-UHFFFAOYSA-N 0 0 318.340 2.403 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000185855572 402382620 /nfs/dbraw/zinc/38/26/20/402382620.db2.gz QSXOZLXKJKCFQZ-LLVKDONJSA-N 0 0 303.280 2.181 10 30 DEEERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cccc(CC#N)c1)CC2 ZINC000176752853 402333775 /nfs/dbraw/zinc/33/37/75/402333775.db2.gz RIAZDPWWSOIQJH-OAHLLOKOSA-N 0 0 323.400 2.212 10 30 DEEERN C=C[C@H](CC(=O)N1CCO[C@]2(CCOC2)C1)c1ccccc1 ZINC000186088647 402400236 /nfs/dbraw/zinc/40/02/36/402400236.db2.gz MKGLGFRRIHZGHY-CRAIPNDOSA-N 0 0 301.386 2.364 10 30 DEEERN C=C[C@@H](CC(=O)N1CCO[C@]2(CCOC2)C1)c1ccccc1 ZINC000186088628 402400471 /nfs/dbraw/zinc/40/04/71/402400471.db2.gz MKGLGFRRIHZGHY-MAUKXSAKSA-N 0 0 301.386 2.364 10 30 DEEERN N#Cc1cccc(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000186212406 402410717 /nfs/dbraw/zinc/41/07/17/402410717.db2.gz VDAHPAFJUQYYRF-UHFFFAOYSA-N 0 0 321.384 2.121 10 30 DEEERN Cc1nc(C(=O)N2CCCN(c3ccccn3)CC2)ccc1C#N ZINC000186425966 402429904 /nfs/dbraw/zinc/42/99/04/402429904.db2.gz XXJZYGZJIVJPHP-UHFFFAOYSA-N 0 0 321.384 2.009 10 30 DEEERN C[C@@H]1CC[C@H](C(=O)NCCSCc2ccccc2C#N)O1 ZINC000177941173 402445689 /nfs/dbraw/zinc/44/56/89/402445689.db2.gz MGIIHNIWYYGHDW-IUODEOHRSA-N 0 0 304.415 2.475 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000186665922 402453650 /nfs/dbraw/zinc/45/36/50/402453650.db2.gz YLJDGJHGUHSGNH-NSHDSACASA-N 0 0 324.229 2.350 10 30 DEEERN COCCOc1ccc(C(=O)N[C@@H](C#N)C2CC2)c(Cl)c1 ZINC000186673441 402454099 /nfs/dbraw/zinc/45/40/99/402454099.db2.gz JHPWHJZTMCEFCY-AWEZNQCLSA-N 0 0 308.765 2.397 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)Cn1cnc2ccccc2c1=O ZINC000178391806 402492831 /nfs/dbraw/zinc/49/28/31/402492831.db2.gz ZFIHXRBBQQMZEH-UHFFFAOYSA-N 0 0 318.336 2.215 10 30 DEEERN N#Cc1cc(F)ccc1S(=O)(=O)NCCc1ccsc1 ZINC000178508029 402505144 /nfs/dbraw/zinc/50/51/44/402505144.db2.gz VFSYNHYIJXDNMK-UHFFFAOYSA-N 0 0 310.375 2.280 10 30 DEEERN N#Cc1ccc(SCC(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000171291939 402574948 /nfs/dbraw/zinc/57/49/48/402574948.db2.gz NHXUCUMRTBKLKJ-HNNXBMFYSA-N 0 0 315.442 2.347 10 30 DEEERN CO[C@H]1C[C@@H](c2nc(C)no2)N(c2cccc(F)c2C#N)C1 ZINC000190086537 402575258 /nfs/dbraw/zinc/57/52/58/402575258.db2.gz KRTDKRQPDGVPJD-HZMBPMFUSA-N 0 0 302.309 2.355 10 30 DEEERN CC(C)(C)NC(=O)CNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000171140401 402561087 /nfs/dbraw/zinc/56/10/87/402561087.db2.gz HEKWSRSMLXKBGD-UHFFFAOYSA-N 0 0 319.409 2.151 10 30 DEEERN COc1cccc(-c2nsc(NC(=O)CSCC#N)n2)c1 ZINC000170849486 402532355 /nfs/dbraw/zinc/53/23/55/402532355.db2.gz YIBMXYVKUUHYLG-UHFFFAOYSA-N 0 0 320.399 2.409 10 30 DEEERN COC(C)(C)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000171588532 402598013 /nfs/dbraw/zinc/59/80/13/402598013.db2.gz DGXNULSMPMWATD-UHFFFAOYSA-N 0 0 315.417 2.018 10 30 DEEERN C=C(C)CN(C)C(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000180471647 402617474 /nfs/dbraw/zinc/61/74/74/402617474.db2.gz GCNOSCRIOBPNSB-INIZCTEOSA-N 0 0 304.390 2.297 10 30 DEEERN CO[C@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC[C@H]1C ZINC000190726884 402620440 /nfs/dbraw/zinc/62/04/40/402620440.db2.gz WHVODLAYHLAEFU-ABAIWWIYSA-N 0 0 305.353 2.264 10 30 DEEERN N#Cc1cccc(OCCCCC(=O)N[C@H]2CCCOC2)c1 ZINC000171868694 402630529 /nfs/dbraw/zinc/63/05/29/402630529.db2.gz HWNVNJQJFDRAKH-HNNXBMFYSA-N 0 0 302.374 2.403 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000181374011 402643374 /nfs/dbraw/zinc/64/33/74/402643374.db2.gz MQIWKBPNJOTUHL-CABCVRRESA-N 0 0 319.453 2.433 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)CNC(=O)c1ccccn1 ZINC000172502651 402659399 /nfs/dbraw/zinc/65/93/99/402659399.db2.gz SXGOGJQPEWZSQR-UHFFFAOYSA-N 0 0 315.398 2.088 10 30 DEEERN N#Cc1cc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)c[nH]1 ZINC000181581043 402650726 /nfs/dbraw/zinc/65/07/26/402650726.db2.gz WMNBMKIMENUTSM-UONOGXRCSA-N 0 0 305.403 2.013 10 30 DEEERN CO[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2C#N)CC[C@@H]1C ZINC000251899675 402651093 /nfs/dbraw/zinc/65/10/93/402651093.db2.gz QWMTYGKKRQBONL-HEHGZKQESA-N 0 0 301.390 2.242 10 30 DEEERN CO[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)CC[C@@H]1C ZINC000251938175 402651708 /nfs/dbraw/zinc/65/17/08/402651708.db2.gz ULAUSMIETBITKO-FPMFFAJLSA-N 0 0 319.430 2.082 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(C#N)ccc1F ZINC000191226392 402652537 /nfs/dbraw/zinc/65/25/37/402652537.db2.gz GJHBKGCFQSHLOO-INWMFGNUSA-N 0 0 302.349 2.471 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCOc1ccc(C#N)cc1 ZINC000191228952 402652956 /nfs/dbraw/zinc/65/29/56/402652956.db2.gz MXPKXDWAPXCPOJ-PVAVHDDUSA-N 0 0 314.385 2.211 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C1CCN(Cc2nccn2C)CC1 ZINC000182624645 402705092 /nfs/dbraw/zinc/70/50/92/402705092.db2.gz OSUDHFKXIKMSRM-OAHLLOKOSA-N 0 0 318.465 2.493 10 30 DEEERN N#C[C@H](NC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O)C1CC1 ZINC000173629961 402705231 /nfs/dbraw/zinc/70/52/31/402705231.db2.gz XJFWXRAPDSVLKC-KGLIPLIRSA-N 0 0 317.776 2.111 10 30 DEEERN N#C[C@H](NC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C1CC1 ZINC000173629972 402705318 /nfs/dbraw/zinc/70/53/18/402705318.db2.gz XJFWXRAPDSVLKC-KBPBESRZSA-N 0 0 317.776 2.111 10 30 DEEERN CCOC(=O)C[C@@H](NC(=O)CSCC#N)c1ccccc1C ZINC000173816251 402713937 /nfs/dbraw/zinc/71/39/37/402713937.db2.gz HXDUPWPLLKAXGO-CQSZACIVSA-N 0 0 320.414 2.362 10 30 DEEERN N#CC1CCN(C(=O)N[C@@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000174407620 402739685 /nfs/dbraw/zinc/73/96/85/402739685.db2.gz WILIFQPZWBRNRO-HUUCEWRRSA-N 0 0 301.394 2.312 10 30 DEEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1c(C)cccc1C(C)C ZINC000183193409 402746465 /nfs/dbraw/zinc/74/64/65/402746465.db2.gz NCDJYYNGTRRHBW-CYBMUJFWSA-N 0 0 304.390 2.110 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](COCC(C)C)c1ccco1 ZINC000183280474 402752589 /nfs/dbraw/zinc/75/25/89/402752589.db2.gz LEMJBAQAFFNAKO-KBPBESRZSA-N 0 0 310.394 2.230 10 30 DEEERN N#Cc1cc(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)ccn1 ZINC000192897483 402755899 /nfs/dbraw/zinc/75/58/99/402755899.db2.gz KSCBTXVMJDLOLJ-CYBMUJFWSA-N 0 0 324.359 2.349 10 30 DEEERN C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000174767770 402756163 /nfs/dbraw/zinc/75/61/63/402756163.db2.gz CYAGTFXVFTTXSR-DOMZBBRYSA-N 0 0 318.396 2.321 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000183333977 402757790 /nfs/dbraw/zinc/75/77/90/402757790.db2.gz BDWBHHPYHAUGGI-NSHDSACASA-N 0 0 311.451 2.219 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000183759254 402795534 /nfs/dbraw/zinc/79/55/34/402795534.db2.gz CLNBROAFIKKLDT-CHWSQXEVSA-N 0 0 316.323 2.396 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000183854083 402801977 /nfs/dbraw/zinc/80/19/77/402801977.db2.gz BMEDIEWUUNHZHB-OCCSQVGLSA-N 0 0 308.353 2.276 10 30 DEEERN Cc1nc(CNC(=O)Nc2cc(C#N)ccc2OC(C)C)no1 ZINC000175564802 402817845 /nfs/dbraw/zinc/81/78/45/402817845.db2.gz RFNAYKIVRBZUQE-UHFFFAOYSA-N 0 0 315.333 2.359 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000184137406 402821450 /nfs/dbraw/zinc/82/14/50/402821450.db2.gz SYUKDCJHIHZHQJ-GOEBONIOSA-N 0 0 320.389 2.303 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)Cc2cccc(O)c2)cn1 ZINC000184276280 402832160 /nfs/dbraw/zinc/83/21/60/402832160.db2.gz QCXYQEFKCKOLLT-UHFFFAOYSA-N 0 0 319.324 2.026 10 30 DEEERN Cc1cc(C)c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)[nH]1 ZINC000184284622 402832489 /nfs/dbraw/zinc/83/24/89/402832489.db2.gz APECTYZNOGPLMS-UHFFFAOYSA-N 0 0 306.329 2.336 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000183666748 402787169 /nfs/dbraw/zinc/78/71/69/402787169.db2.gz ISHDSCOIGRZVNR-UONOGXRCSA-N 0 0 323.824 2.155 10 30 DEEERN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(c2cc[nH]n2)CC1 ZINC000195506441 402848003 /nfs/dbraw/zinc/84/80/03/402848003.db2.gz ORCUASSKZRWQNK-CYBMUJFWSA-N 0 0 323.400 2.488 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cn(C)nc1-c1ccccc1 ZINC000273400530 403001876 /nfs/dbraw/zinc/00/18/76/403001876.db2.gz LYIOLWLFZKLWJR-CYBMUJFWSA-N 0 0 300.362 2.146 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000273607647 403019176 /nfs/dbraw/zinc/01/91/76/403019176.db2.gz OPMAIJBHVLJJGF-CYBMUJFWSA-N 0 0 305.353 2.086 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000280657694 403024078 /nfs/dbraw/zinc/02/40/78/403024078.db2.gz KTEQLBAPYCPFSL-GBIKHYSHSA-N 0 0 314.307 2.196 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-c2ncon2)cc1 ZINC000281237923 403061802 /nfs/dbraw/zinc/06/18/02/403061802.db2.gz FHWQCMRPMFVSCO-GJZGRUSLSA-N 0 0 313.357 2.448 10 30 DEEERN C=CCCCCNC(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000274703318 403080030 /nfs/dbraw/zinc/08/00/30/403080030.db2.gz YYCIDWSMMFGTHR-CABCVRRESA-N 0 0 322.405 2.470 10 30 DEEERN N#Cc1ccc(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)[nH]1 ZINC000282848314 403161771 /nfs/dbraw/zinc/16/17/71/403161771.db2.gz RTHZQWPJYNTOFU-CYBMUJFWSA-N 0 0 323.400 2.439 10 30 DEEERN C=C(C)Cn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC000283228103 403182139 /nfs/dbraw/zinc/18/21/39/403182139.db2.gz JRRQHSUYTIQIEH-AWEZNQCLSA-N 0 0 320.437 2.442 10 30 DEEERN Cc1nc(C#N)c(N2CCC(C(=O)N3CCCC3(C)C)CC2)o1 ZINC000276520506 403183147 /nfs/dbraw/zinc/18/31/47/403183147.db2.gz CMJQUXKECDORDD-UHFFFAOYSA-N 0 0 316.405 2.472 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@@H](C)Oc1ccc(C)cc1 ZINC000283984314 403236605 /nfs/dbraw/zinc/23/66/05/403236605.db2.gz JETDXWRUVBMXKP-OAHLLOKOSA-N 0 0 318.417 2.303 10 30 DEEERN C=CCN(Cc1cc(C)c(O)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000284085715 403243924 /nfs/dbraw/zinc/24/39/24/403243924.db2.gz NTRHSQCMOAGZSK-OAHLLOKOSA-N 0 0 309.431 2.184 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000277778024 403255972 /nfs/dbraw/zinc/25/59/72/403255972.db2.gz UCYJICLSWMCTIS-UHFFFAOYSA-N 0 0 314.360 2.264 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)Cn1ccnc1 ZINC000284953747 403273827 /nfs/dbraw/zinc/27/38/27/403273827.db2.gz DZTLNKNGVGJLJU-NVXWUHKLSA-N 0 0 310.401 2.205 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)N1CCCC[C@H]1C ZINC000285227227 403279879 /nfs/dbraw/zinc/27/98/79/403279879.db2.gz FROLMGPHEXCJHQ-WBVHZDCISA-N 0 0 320.458 2.330 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)[C@H](CC(C)C)C(=O)OC)c1 ZINC000285866612 403399222 /nfs/dbraw/zinc/39/92/22/403399222.db2.gz DRPYWCAKRNRCML-MRXNPFEDSA-N 0 0 316.401 2.126 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N[C@H]1CCC[C@@H](CO)C1 ZINC000298509996 403400791 /nfs/dbraw/zinc/40/07/91/403400791.db2.gz BFBQCHJKCLRBEM-ZBFHGGJFSA-N 0 0 316.401 2.049 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCOC1 ZINC000287054916 403552721 /nfs/dbraw/zinc/55/27/21/403552721.db2.gz WUKFFZRAPOPKNJ-IAGOWNOFSA-N 0 0 300.402 2.347 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC000287369955 403585121 /nfs/dbraw/zinc/58/51/21/403585121.db2.gz QKMIKWZVGGTEEB-GDBMZVCRSA-N 0 0 314.429 2.288 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)OCCOCC ZINC000287314845 403572967 /nfs/dbraw/zinc/57/29/67/403572967.db2.gz LYDZBCOWZAXDNH-RDJZCZTQSA-N 0 0 303.402 2.179 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCOc1ccc(F)cc1F ZINC000346196919 403578347 /nfs/dbraw/zinc/57/83/47/403578347.db2.gz YMAYHSJBIDTZRR-IUODEOHRSA-N 0 0 311.328 2.441 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000287516639 403614911 /nfs/dbraw/zinc/61/49/11/403614911.db2.gz BAXZSBZTPUZDGN-INIZCTEOSA-N 0 0 310.397 2.053 10 30 DEEERN CC[C@H](NC(=O)c1cc(C#N)ccn1)c1nnc2n1CCCCC2 ZINC000287584599 403628183 /nfs/dbraw/zinc/62/81/83/403628183.db2.gz CKSGQJBAFIPIOP-ZDUSSCGKSA-N 0 0 324.388 2.152 10 30 DEEERN CC(C)[C@H](C)NC(=O)C1CCN(c2ccc(C#N)nc2)CC1 ZINC000301494764 403637101 /nfs/dbraw/zinc/63/71/01/403637101.db2.gz AXKDMEWHAILMHO-ZDUSSCGKSA-N 0 0 300.406 2.330 10 30 DEEERN N#Cc1ccc(C(F)(F)F)nc1NCC(=O)Nc1ccccn1 ZINC000301648962 403658783 /nfs/dbraw/zinc/65/87/83/403658783.db2.gz FLUSVDHCVRRVLK-UHFFFAOYSA-N 0 0 321.262 2.418 10 30 DEEERN C=C(CNC(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)c1ccccc1 ZINC000287952753 403698285 /nfs/dbraw/zinc/69/82/85/403698285.db2.gz HASDKONPGQFMJM-JKSUJKDBSA-N 0 0 320.433 2.157 10 30 DEEERN N#Cc1ccc(NC[C@@H](CO)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC000301571799 403649514 /nfs/dbraw/zinc/64/95/14/403649514.db2.gz RLEVLMXMTVGMFY-ZDUSSCGKSA-N 0 0 312.329 2.125 10 30 DEEERN N#Cc1cnc(NCCN2CCc3c(Cl)cccc3C2)cn1 ZINC000302702904 403712948 /nfs/dbraw/zinc/71/29/48/403712948.db2.gz XUCBXPGSZFYKIG-UHFFFAOYSA-N 0 0 313.792 2.472 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000288055594 403716542 /nfs/dbraw/zinc/71/65/42/403716542.db2.gz FLQMNWVAHXVZRG-ZWKOTPCHSA-N 0 0 313.445 2.357 10 30 DEEERN C#CCNC(=O)CNc1ccnc2ccc(Br)cc21 ZINC000302743940 403719878 /nfs/dbraw/zinc/71/98/78/403719878.db2.gz RISNPNWARCFJNG-UHFFFAOYSA-N 0 0 318.174 2.159 10 30 DEEERN CN(Cc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302754903 403720868 /nfs/dbraw/zinc/72/08/68/403720868.db2.gz WIMWMQIYYHBMQW-UHFFFAOYSA-N 0 0 312.285 2.227 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H](C)OC[C@@H]1C ZINC000288242785 403743140 /nfs/dbraw/zinc/74/31/40/403743140.db2.gz SJLXGQFHAVRDFZ-YQQAZPJKSA-N 0 0 300.402 2.440 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000288409765 403748971 /nfs/dbraw/zinc/74/89/71/403748971.db2.gz JNTQJZHQSTYFBI-HNNXBMFYSA-N 0 0 310.401 2.051 10 30 DEEERN C=CCOc1ccc(CNC(=O)N[C@@H]2CCOC[C@@H]2C)cc1 ZINC000288521272 403756498 /nfs/dbraw/zinc/75/64/98/403756498.db2.gz CJEFGJZGDOTSJJ-XJKSGUPXSA-N 0 0 304.390 2.476 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1nc(C(C)C)cs1 ZINC000289021862 403810326 /nfs/dbraw/zinc/81/03/26/403810326.db2.gz BNVWYUHJXDJIOX-UHFFFAOYSA-N 0 0 309.435 2.307 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NC(C)(C)C(F)(F)F ZINC000295195574 403792608 /nfs/dbraw/zinc/79/26/08/403792608.db2.gz MBVWGJJKIPLQAB-UHFFFAOYSA-N 0 0 306.309 2.486 10 30 DEEERN C=CC[C@H](CO)CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000354535059 403863117 /nfs/dbraw/zinc/86/31/17/403863117.db2.gz FARFHKFMCDOOMR-LBPRGKRZSA-N 0 0 302.349 2.030 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N(CC)[C@@H]1CCOC1 ZINC000361876122 403906076 /nfs/dbraw/zinc/90/60/76/403906076.db2.gz UHDTVZNGTCZCBU-OAHLLOKOSA-N 0 0 316.401 2.381 10 30 DEEERN C#CCSCCNC(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000362335429 403944642 /nfs/dbraw/zinc/94/46/42/403944642.db2.gz LAHZWYAUAOKBHO-JKSUJKDBSA-N 0 0 318.442 2.430 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)C1CN(CC(F)(F)F)C1 ZINC000362341752 403945963 /nfs/dbraw/zinc/94/59/63/403945963.db2.gz XEZHRZZUZZXMKU-UHFFFAOYSA-N 0 0 304.234 2.057 10 30 DEEERN COC(=O)c1cc(F)c(I)c(C#N)c1 ZINC000307519807 403953593 /nfs/dbraw/zinc/95/35/93/403953593.db2.gz WWOCTSXFJXVSFA-UHFFFAOYSA-N 0 0 305.046 2.089 10 30 DEEERN C=CCCOCCNC(=O)NC1CCC(c2nc(C)no2)CC1 ZINC000362725624 403982739 /nfs/dbraw/zinc/98/27/39/403982739.db2.gz OGGFZLUVHPEXEQ-UHFFFAOYSA-N 0 0 322.409 2.296 10 30 DEEERN C=C(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000351911823 404001606 /nfs/dbraw/zinc/00/16/06/404001606.db2.gz SCBJVNJGEKLSBU-UHFFFAOYSA-N 0 0 309.391 2.380 10 30 DEEERN N#C[C@H](C(=O)Nc1cccc(Br)c1)c1ccncn1 ZINC000362935497 404012624 /nfs/dbraw/zinc/01/26/24/404012624.db2.gz PLOZLJFODWBXAX-NSHDSACASA-N 0 0 317.146 2.485 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)c3ccc(C)o3)C2)n1 ZINC000328613625 404115360 /nfs/dbraw/zinc/11/53/60/404115360.db2.gz SUTZARKNBRIIPU-LBPRGKRZSA-N 0 0 302.334 2.480 10 30 DEEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)NCc2cnn(C)c2C)cn1 ZINC000328637325 404118805 /nfs/dbraw/zinc/11/88/05/404118805.db2.gz VWQMAPGEWDPDHU-LSDHHAIUSA-N 0 0 317.393 2.179 10 30 DEEERN Cc1nnc(NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)n1C1CC1 ZINC000329055915 404215016 /nfs/dbraw/zinc/21/50/16/404215016.db2.gz MDHOQKRLHHIBCX-DGCLKSJQSA-N 0 0 316.365 2.021 10 30 DEEERN N#C[C@H]1CN(Cc2ccc(OC(F)F)cc2)CCN1C1CC1 ZINC000363498838 404169395 /nfs/dbraw/zinc/16/93/95/404169395.db2.gz JFZBOICSVWFVSU-AWEZNQCLSA-N 0 0 307.344 2.460 10 30 DEEERN C=CCN(C(=O)[C@H](CC)OC)c1nc(C(=O)OCC)cs1 ZINC000355072717 404198963 /nfs/dbraw/zinc/19/89/63/404198963.db2.gz HVTPLJSMSVXOGV-NSHDSACASA-N 0 0 312.391 2.264 10 30 DEEERN C=C(C)CN(Cc1ccccc1)C(=O)NCCCn1ccnn1 ZINC000349873496 404236885 /nfs/dbraw/zinc/23/68/85/404236885.db2.gz AJZDXVKXMUVBHG-UHFFFAOYSA-N 0 0 313.405 2.456 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412321077 404245264 /nfs/dbraw/zinc/24/52/64/404245264.db2.gz XZLQIBZSPCKJAN-LBPRGKRZSA-N 0 0 308.334 2.049 10 30 DEEERN CC(=O)N1CCC[C@](O)(C(=O)NCc2ccc(C3CC3)cc2)C1 ZINC000329165769 404251138 /nfs/dbraw/zinc/25/11/38/404251138.db2.gz HJQXIBGFSBOLKU-GOSISDBHSA-N 0 0 316.401 2.394 10 30 DEEERN C=CCCC(=O)Nc1cccc(N2C(=O)N[C@@H](C)C2=O)c1C ZINC000290678757 404269853 /nfs/dbraw/zinc/26/98/53/404269853.db2.gz QCIRHTHFGFWXOS-NSHDSACASA-N 0 0 301.346 2.344 10 30 DEEERN C#Cc1ccc(CNC(=O)[C@@H](CCCC)NC(=O)NCC)cc1 ZINC000296481190 404270029 /nfs/dbraw/zinc/27/00/29/404270029.db2.gz RIAYDZFBPLBUBQ-MRXNPFEDSA-N 0 0 315.417 2.162 10 30 DEEERN C=CCCN(C)C(=O)[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1 ZINC000290838167 404332517 /nfs/dbraw/zinc/33/25/17/404332517.db2.gz XOBCFMGCHBOGHV-LBPRGKRZSA-N 0 0 300.374 2.226 10 30 DEEERN C#CCSCCNC(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000296869646 404349586 /nfs/dbraw/zinc/34/95/86/404349586.db2.gz LRBKZWQGEZMNFF-QMMMGPOBSA-N 0 0 323.365 2.412 10 30 DEEERN CCc1ocnc1C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000329501329 404358343 /nfs/dbraw/zinc/35/83/43/404358343.db2.gz HNMXZWJLGQBFGE-JTQLQIEISA-N 0 0 303.366 2.272 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000350011634 404294402 /nfs/dbraw/zinc/29/44/02/404294402.db2.gz MPTJVKUTVXLAEQ-LLVKDONJSA-N 0 0 313.350 2.096 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1COc2c(C)cccc2C1 ZINC000290758354 404299619 /nfs/dbraw/zinc/29/96/19/404299619.db2.gz QGKQGVDUGMGPQW-ARFHVFGLSA-N 0 0 301.386 2.396 10 30 DEEERN CCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc2c1OCO2 ZINC000329323112 404302012 /nfs/dbraw/zinc/30/20/12/404302012.db2.gz UYXUPTGOGMNCOO-SNVBAGLBSA-N 0 0 308.359 2.315 10 30 DEEERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCC3CCCC3)CCO2)n1 ZINC000329373886 404317886 /nfs/dbraw/zinc/31/78/86/404317886.db2.gz NHHDREGTZHKOOE-MRXNPFEDSA-N 0 0 320.437 2.305 10 30 DEEERN C=CCSCCNC(=O)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000355303936 404321371 /nfs/dbraw/zinc/32/13/71/404321371.db2.gz XCSPZBVKGFSBNF-QGZVFWFLSA-N 0 0 322.474 2.371 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](c1nc(C)cs1)C(F)(F)F ZINC000296795069 404324493 /nfs/dbraw/zinc/32/44/93/404324493.db2.gz CJSGLNFDUQTFHV-IUCAKERBSA-N 0 0 323.340 2.291 10 30 DEEERN N#Cc1cnccc1N1CCn2c(nnc2-c2ccccc2)C1 ZINC000364363668 404367328 /nfs/dbraw/zinc/36/73/28/404367328.db2.gz MOOHHHDBMDNZAF-UHFFFAOYSA-N 0 0 302.341 2.232 10 30 DEEERN C[C@H](NC(=O)N1CCO[C@@H](C2CCCCC2)C1)c1nncn1C ZINC000329594308 404387278 /nfs/dbraw/zinc/38/72/78/404387278.db2.gz OQNPPWBDPJUXSI-GXTWGEPZSA-N 0 0 321.425 2.071 10 30 DEEERN C=CCOc1cccnc1C(=O)N[C@@H](CO)c1sccc1C ZINC000342130402 404388674 /nfs/dbraw/zinc/38/86/74/404388674.db2.gz OXAVOSHLWSQKFA-LBPRGKRZSA-N 0 0 318.398 2.480 10 30 DEEERN O=C(NCc1cn2c(n1)CCCC2)c1cn2ccnc2s1 ZINC000329917427 404495369 /nfs/dbraw/zinc/49/53/69/404495369.db2.gz FICDPSNVDARCTG-UHFFFAOYSA-N 0 0 301.375 2.433 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCc1ncccc1C ZINC000297097055 404449227 /nfs/dbraw/zinc/44/92/27/404449227.db2.gz XTTBRKCSRHFVJS-ZBFHGGJFSA-N 0 0 303.406 2.213 10 30 DEEERN Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)C2(C)CCC2)CC(=O)N1C ZINC000330209228 404586005 /nfs/dbraw/zinc/58/60/05/404586005.db2.gz HLOKZYKMKOJGMU-IUODEOHRSA-N 0 0 318.421 2.455 10 30 DEEERN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CCc2cncnc2C1 ZINC000330211936 404587744 /nfs/dbraw/zinc/58/77/44/404587744.db2.gz JQVLESYFATZALS-HOCLYGCPSA-N 0 0 318.421 2.200 10 30 DEEERN O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000330040601 404536896 /nfs/dbraw/zinc/53/68/96/404536896.db2.gz CMWNVXOVENQJKZ-CNABLZDZSA-N 0 0 315.295 2.135 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CCCCO1 ZINC000330168303 404572874 /nfs/dbraw/zinc/57/28/74/404572874.db2.gz WICBDZKSKVWPDB-GZBFAFLISA-N 0 0 307.394 2.413 10 30 DEEERN C=CCCN(C)C(=O)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000342571566 404657574 /nfs/dbraw/zinc/65/75/74/404657574.db2.gz RFLRZDFJWTZPAJ-UHFFFAOYSA-N 0 0 317.389 2.254 10 30 DEEERN Cc1ncc(CNC(=O)N2CCc3cc[nH]c(=O)c3C2)s1 ZINC000330250462 404601838 /nfs/dbraw/zinc/60/18/38/404601838.db2.gz GVTYTTFEYJXRIT-UHFFFAOYSA-N 0 0 304.375 2.024 10 30 DEEERN C=CCCCNC(=O)C(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000342509767 404623441 /nfs/dbraw/zinc/62/34/41/404623441.db2.gz MCMIIBLRBSTMLC-SFHVURJKSA-N 0 0 300.402 2.259 10 30 DEEERN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000374451937 404706768 /nfs/dbraw/zinc/70/67/68/404706768.db2.gz WZTCTBJUYMJSKM-GJZGRUSLSA-N 0 0 311.451 2.145 10 30 DEEERN C=C(C)CS(=O)(=O)N[C@@H](CCC(C)(C)C)C(=O)OCC ZINC000357435374 404734497 /nfs/dbraw/zinc/73/44/97/404734497.db2.gz LRZGZEPSIDKILX-LBPRGKRZSA-N 0 0 305.440 2.240 10 30 DEEERN C=CCN(C(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1)C1CC1 ZINC000357943021 404748772 /nfs/dbraw/zinc/74/87/72/404748772.db2.gz AXIIGFHSFHJRQC-UHFFFAOYSA-N 0 0 315.373 2.394 10 30 DEEERN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCc1cn[nH]c1 ZINC000358193621 404755764 /nfs/dbraw/zinc/75/57/64/404755764.db2.gz KBGMAUUPBMOPHI-IAGOWNOFSA-N 0 0 323.400 2.434 10 30 DEEERN C=C(CC)CN1CCN(c2ncc(C(=O)OCC)s2)CC1 ZINC000358502591 404765043 /nfs/dbraw/zinc/76/50/43/404765043.db2.gz WMDXISPWUXDLQR-UHFFFAOYSA-N 0 0 309.435 2.408 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000352987994 404712299 /nfs/dbraw/zinc/71/22/99/404712299.db2.gz KEEPINLCBMONHE-DYVFJYSZSA-N 0 0 311.422 2.405 10 30 DEEERN CC1(C#N)CCN(C(=O)CCCNC(=O)c2ccccc2)CC1 ZINC000356965233 404722598 /nfs/dbraw/zinc/72/25/98/404722598.db2.gz BCFUFRPGWUIHAF-UHFFFAOYSA-N 0 0 313.401 2.349 10 30 DEEERN CC(C)c1n[nH]c(C(=O)N2CCC(C)(C#N)CC2)c1[N+](=O)[O-] ZINC000356982890 404723804 /nfs/dbraw/zinc/72/38/04/404723804.db2.gz VZMMGTZTZKCHLO-UHFFFAOYSA-N 0 0 305.338 2.207 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N(CCOC)[C@@H]1CCOC1 ZINC000358808035 404776232 /nfs/dbraw/zinc/77/62/32/404776232.db2.gz QYQYRRXAFXUNPY-CQSZACIVSA-N 0 0 308.426 2.219 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)c1noc(COC(C)C)n1 ZINC000359579243 404797491 /nfs/dbraw/zinc/79/74/91/404797491.db2.gz JKYCRSQFYRIJQL-DYEKYZERSA-N 0 0 323.393 2.153 10 30 DEEERN C[C@](C#N)(CCc1ccccc1)NC(=O)c1cccc2ncnn21 ZINC000359639482 404799858 /nfs/dbraw/zinc/79/98/58/404799858.db2.gz FDGSVDYOEAVMJF-GOSISDBHSA-N 0 0 319.368 2.374 10 30 DEEERN CC1(C)CN(C(=O)C2(C#N)CCCCC2)C[C@]2(CCOC2)O1 ZINC000366526856 404808263 /nfs/dbraw/zinc/80/82/63/404808263.db2.gz YSRASYDAHNUCHR-KRWDZBQOSA-N 0 0 306.406 2.257 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000360082366 404817812 /nfs/dbraw/zinc/81/78/12/404817812.db2.gz KZXKEFQUVSDZRQ-SJORKVTESA-N 0 0 323.400 2.423 10 30 DEEERN C=CCOCCNC(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000360641173 404833278 /nfs/dbraw/zinc/83/32/78/404833278.db2.gz IGQAQGXDSOZOAF-UHFFFAOYSA-N 0 0 303.362 2.286 10 30 DEEERN C=CCNC(=O)[C@H](C)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360669286 404834268 /nfs/dbraw/zinc/83/42/68/404834268.db2.gz NSUUPZJGWQCJOJ-KSSFIOAISA-N 0 0 300.402 2.199 10 30 DEEERN C#Cc1cccc(NC(=O)N2C[C@H](CC)O[C@]3(CCOC3)C2)c1 ZINC000366812405 404851461 /nfs/dbraw/zinc/85/14/61/404851461.db2.gz UCECNQVMXVUXIL-FUHWJXTLSA-N 0 0 314.385 2.470 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@H]1CCO[C@@H](C(CC)CC)C1 ZINC000361121978 404931060 /nfs/dbraw/zinc/93/10/60/404931060.db2.gz XIOXOHYTFCNJKU-LSDHHAIUSA-N 0 0 310.438 2.169 10 30 DEEERN CC(C)(CC#N)CS(=O)(=O)NC[C@@](C)(O)C1CCCCC1 ZINC000451455605 405003956 /nfs/dbraw/zinc/00/39/56/405003956.db2.gz KCFCZEACSHMVHH-OAHLLOKOSA-N 0 0 316.467 2.177 10 30 DEEERN C=CCn1c([C@H]2CCCS2)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000424130247 405016549 /nfs/dbraw/zinc/01/65/49/405016549.db2.gz URQCRNKTONRBAR-FRRDWIJNSA-N 0 0 306.435 2.400 10 30 DEEERN N#Cc1ccsc1C(=O)N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000378474422 404976414 /nfs/dbraw/zinc/97/64/14/404976414.db2.gz PMPLEKMOISPBNI-MRXNPFEDSA-N 0 0 316.357 2.493 10 30 DEEERN CCOC1(C)CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000400002702 405063407 /nfs/dbraw/zinc/06/34/07/405063407.db2.gz ZJLANTQVDKVSJQ-UHFFFAOYSA-N 0 0 314.794 2.011 10 30 DEEERN N#C[C@@]1(NC(=O)c2nscc2Br)CCSC1 ZINC000404883054 405069507 /nfs/dbraw/zinc/06/95/07/405069507.db2.gz CHFKCPOTVRAFLX-VIFPVBQESA-N 0 0 318.221 2.035 10 30 DEEERN CC#CCCNC(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000361457237 405084005 /nfs/dbraw/zinc/08/40/05/405084005.db2.gz MANGMDUGYYMMNH-HNNXBMFYSA-N 0 0 315.417 2.377 10 30 DEEERN CC#CCNC(=O)Nc1cnc2c(Br)cccn12 ZINC000436498681 405091023 /nfs/dbraw/zinc/09/10/23/405091023.db2.gz PKOAGEGWSFDQJX-UHFFFAOYSA-N 0 0 307.151 2.242 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000408129154 405118401 /nfs/dbraw/zinc/11/84/01/405118401.db2.gz NOXKCOQKKAYKJN-ZDUSSCGKSA-N 0 0 317.414 2.094 10 30 DEEERN C=CC[C@@H](CC)NS(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000416529361 405166595 /nfs/dbraw/zinc/16/65/95/405166595.db2.gz RFHHMZMBUYALDC-SECBINFHSA-N 0 0 307.366 2.299 10 30 DEEERN C=CCC1(C(=O)N2CCCN(CC(F)F)CC2)CCOCC1 ZINC000424742641 405165429 /nfs/dbraw/zinc/16/54/29/405165429.db2.gz GWKLGOGUZXSOEI-UHFFFAOYSA-N 0 0 316.392 2.159 10 30 DEEERN C=CCC1(C(=O)N2C[C@@H](CO)c3ccccc32)CCOCC1 ZINC000424842038 405193729 /nfs/dbraw/zinc/19/37/29/405193729.db2.gz IJMQGONYAOWOKR-AWEZNQCLSA-N 0 0 301.386 2.482 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC000424904702 405209491 /nfs/dbraw/zinc/20/94/91/405209491.db2.gz ADNCDIVLXWFWOA-ZNMIVQPWSA-N 0 0 301.386 2.432 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC000424922965 405213224 /nfs/dbraw/zinc/21/32/24/405213224.db2.gz ICKXEXSTKSRUFT-QRTARXTBSA-N 0 0 301.386 2.432 10 30 DEEERN C=CCOCCn1nc(C(=O)OCC)cc1-c1ccncc1 ZINC000418947130 405214099 /nfs/dbraw/zinc/21/40/99/405214099.db2.gz NQZSYVSRLUOJKZ-UHFFFAOYSA-N 0 0 301.346 2.324 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)Oc1ccc(F)c(F)c1 ZINC000424929648 405214557 /nfs/dbraw/zinc/21/45/57/405214557.db2.gz CHKIRTKEFAPIGQ-PGUXBMHVSA-N 0 0 311.328 2.439 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CCOCC1 ZINC000424762387 405170605 /nfs/dbraw/zinc/17/06/05/405170605.db2.gz FUGWYSKVQKITIR-RRFJBIMHSA-N 0 0 305.418 2.433 10 30 DEEERN C=CCN(C(=O)[C@H]1CO[C@@H](C)C1)c1nc(C(=O)OCC)cs1 ZINC000439106551 405265923 /nfs/dbraw/zinc/26/59/23/405265923.db2.gz IABUDAORERQGGX-WDEREUQCSA-N 0 0 324.402 2.264 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cccc2c1OCC[C@@H]2OC ZINC000439405028 405276562 /nfs/dbraw/zinc/27/65/62/405276562.db2.gz BUSAJHDWXIHODD-FZMZJTMJSA-N 0 0 306.362 2.215 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC[C@H](OC)C(F)(F)F ZINC000437860469 405222844 /nfs/dbraw/zinc/22/28/44/405222844.db2.gz QGDJDQHIHPKOBC-SRVKXCTJSA-N 0 0 324.343 2.234 10 30 DEEERN C=C(C)CCNC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000452726476 405234151 /nfs/dbraw/zinc/23/41/51/405234151.db2.gz VGOSABTUHPWJPN-UHFFFAOYSA-N 0 0 324.446 2.006 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(COC)c1 ZINC000425429128 405289008 /nfs/dbraw/zinc/28/90/08/405289008.db2.gz YDNKQFWBGSIWQO-HOTGVXAUSA-N 0 0 304.390 2.223 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H](C)SCc1ncc(C#N)cn1 ZINC000419616720 405260572 /nfs/dbraw/zinc/26/05/72/405260572.db2.gz AHZCGIUWEJWKQX-GFCCVEGCSA-N 0 0 302.403 2.171 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1c1cccn1C ZINC000425858731 405324757 /nfs/dbraw/zinc/32/47/57/405324757.db2.gz RAEUJRHGFPPXIX-BPUTZDHNSA-N 0 0 303.406 2.463 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]1CCCC ZINC000425881522 405326154 /nfs/dbraw/zinc/32/61/54/405326154.db2.gz KTZQJQKIUQAVLW-QXSJWSMHSA-N 0 0 322.449 2.169 10 30 DEEERN C=CC[C@H]1N(C(=O)N[C@H]2CCC(=O)N(C)C2)CCCC1(C)C ZINC000445151709 405346569 /nfs/dbraw/zinc/34/65/69/405346569.db2.gz TUTOCRXZQVZTDV-UONOGXRCSA-N 0 0 307.438 2.384 10 30 DEEERN C=C(C)CCNC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000455307798 405396241 /nfs/dbraw/zinc/39/62/41/405396241.db2.gz AFEDNQKKCGEWMY-UHFFFAOYSA-N 0 0 303.410 2.085 10 30 DEEERN CN(CC(C)(C)C#N)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000455363848 405401361 /nfs/dbraw/zinc/40/13/61/405401361.db2.gz HWTNWLZZXXKJQC-UHFFFAOYSA-N 0 0 300.362 2.437 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000455493589 405417319 /nfs/dbraw/zinc/41/73/19/405417319.db2.gz YROMPNNOFVLYKZ-KKUMJFAQSA-N 0 0 304.390 2.177 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc2nc(C)cn2c1 ZINC000427679415 405419345 /nfs/dbraw/zinc/41/93/45/405419345.db2.gz RFHIEUZJAAVCCT-CQSZACIVSA-N 0 0 312.373 2.148 10 30 DEEERN CCn1c(CCNC(=O)c2ccc(C#N)n2C)nc2ccccc21 ZINC000448815643 405451616 /nfs/dbraw/zinc/45/16/16/405451616.db2.gz HEQWZTBQCNQBPT-UHFFFAOYSA-N 0 0 321.384 2.239 10 30 DEEERN CC(=O)N1CCCc2cc(NC(=O)c3ccc(C#N)n3C)ccc21 ZINC000448849984 405455832 /nfs/dbraw/zinc/45/58/32/405455832.db2.gz ZEZLMOHPBIVFJI-UHFFFAOYSA-N 0 0 322.368 2.448 10 30 DEEERN C=C(C)CNC(=O)C(=O)N1CCc2c1cccc2Br ZINC000421206985 405456768 /nfs/dbraw/zinc/45/67/68/405456768.db2.gz VDNZVSBSIFRXKR-UHFFFAOYSA-N 0 0 323.190 2.031 10 30 DEEERN C=CCCn1cc(C(=O)N2CCC(=O)C[C@H]2c2ccccc2)nn1 ZINC000633164203 405477240 /nfs/dbraw/zinc/47/72/40/405477240.db2.gz NZOVBIRJGSYSBD-KRWDZBQOSA-N 0 0 324.384 2.401 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC000633295442 405556282 /nfs/dbraw/zinc/55/62/82/405556282.db2.gz OKSXSXBLFNOKGB-ZIAGYGMSSA-N 0 0 307.438 2.431 10 30 DEEERN C=CCC[C@H](CO)NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000456774828 405561087 /nfs/dbraw/zinc/56/10/87/405561087.db2.gz JZKPDQIETOCPEK-ILXRZTDVSA-N 0 0 317.385 2.005 10 30 DEEERN C=CCC(C)(C)CNC(=O)N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000458814053 405604948 /nfs/dbraw/zinc/60/49/48/405604948.db2.gz UAPVFZCUNKNBKY-KFWWJZLASA-N 0 0 310.438 2.160 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000633411419 405629100 /nfs/dbraw/zinc/62/91/00/405629100.db2.gz RQZKZIOXELPPIF-CYBMUJFWSA-N 0 0 305.426 2.193 10 30 DEEERN C=CCn1c(-c2scnc2C)nnc1N(C)C[C@H]1CCOC1 ZINC000580073676 405579039 /nfs/dbraw/zinc/57/90/39/405579039.db2.gz OMTYSMFNFRBOJG-GFCCVEGCSA-N 0 0 319.434 2.369 10 30 DEEERN C[C@H]1C[C@@H]1CNC(=O)COc1cccc(Br)c1C#N ZINC000449597137 405633092 /nfs/dbraw/zinc/63/30/92/405633092.db2.gz DCAJORBYCYPUHJ-VHSXEESVSA-N 0 0 323.190 2.472 10 30 DEEERN C[C@@H]1C[C@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449597874 405633520 /nfs/dbraw/zinc/63/35/20/405633520.db2.gz GRTBKBPLMJQWBO-KOLCDFICSA-N 0 0 323.190 2.472 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000633422991 405637283 /nfs/dbraw/zinc/63/72/83/405637283.db2.gz QFDYNJHAPWXWRA-UHFFFAOYSA-N 0 0 307.438 2.243 10 30 DEEERN C=C[C@H]1CCCCN1S(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000558970697 405713763 /nfs/dbraw/zinc/71/37/63/405713763.db2.gz SQFVYAKDWFILND-AWEZNQCLSA-N 0 0 323.414 2.131 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633750176 405820030 /nfs/dbraw/zinc/82/00/30/405820030.db2.gz NLXVFGPIXDMCHG-GXTWGEPZSA-N 0 0 317.307 2.182 10 30 DEEERN CC[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc(C#N)n1C ZINC000450177445 405767863 /nfs/dbraw/zinc/76/78/63/405767863.db2.gz XHOAPRSWCQOEOT-INIZCTEOSA-N 0 0 311.385 2.310 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000457542310 405890038 /nfs/dbraw/zinc/89/00/38/405890038.db2.gz UVDWFXWSNDYBCB-STQMWFEESA-N 0 0 322.405 2.391 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C1(S(C)(=O)=O)CCCC1 ZINC000633965147 405933422 /nfs/dbraw/zinc/93/34/22/405933422.db2.gz ZWZMMEGUWCXCMK-UHFFFAOYSA-N 0 0 301.452 2.452 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000633966600 405933513 /nfs/dbraw/zinc/93/35/13/405933513.db2.gz RAHGZRPNMPBHQH-UHFFFAOYSA-N 0 0 305.422 2.245 10 30 DEEERN C=CCCC(C)(C)CNC(=O)CS(=O)(=O)C1CCCC1 ZINC000633964328 405933622 /nfs/dbraw/zinc/93/36/22/405933622.db2.gz KUKBPNHHSGRWJS-UHFFFAOYSA-N 0 0 301.452 2.452 10 30 DEEERN C=CCN(CCC#N)C(=O)Nc1cc(C)nn1C1CCOCC1 ZINC000433265936 405909327 /nfs/dbraw/zinc/90/93/27/405909327.db2.gz PFYCYIFKQWLAMF-UHFFFAOYSA-N 0 0 317.393 2.477 10 30 DEEERN C=CCNC(=O)NC(=O)CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433309014 405918679 /nfs/dbraw/zinc/91/86/79/405918679.db2.gz ZRLSSWBDXOJLTK-CYBMUJFWSA-N 0 0 321.808 2.141 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000434037110 406012484 /nfs/dbraw/zinc/01/24/84/406012484.db2.gz PDVXLYWIOQKVFV-OUCADQQQSA-N 0 0 323.355 2.377 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000434042603 406013660 /nfs/dbraw/zinc/01/36/60/406013660.db2.gz PMWLONNCFTZXRY-IJLUTSLNSA-N 0 0 309.328 2.129 10 30 DEEERN CCN(CC)C(=O)c1ccc(CNc2ccncc2C#N)cc1 ZINC000562312293 405981711 /nfs/dbraw/zinc/98/17/11/405981711.db2.gz DSLMGTLLDHGMCW-UHFFFAOYSA-N 0 0 308.385 2.469 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@@](C)(CO)Cc1ccccc1F ZINC000634279257 406080411 /nfs/dbraw/zinc/08/04/11/406080411.db2.gz LHWQSGSDZYRVTO-CXAGYDPISA-N 0 0 309.381 2.217 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)C1CCC(C)CC1 ZINC000632301197 406084162 /nfs/dbraw/zinc/08/41/62/406084162.db2.gz PQOMULQBEOFDSX-HXSCFSKGSA-N 0 0 301.452 2.466 10 30 DEEERN CCCN(CCC)S(=O)(=O)NCC1CCC(C#N)CC1 ZINC000566048134 406084676 /nfs/dbraw/zinc/08/46/76/406084676.db2.gz NXRNDUBNNRZHAW-UHFFFAOYSA-N 0 0 301.456 2.273 10 30 DEEERN C=CCN(CCc1ccccc1)S(=O)(=O)C[C@H](OC)C1CC1 ZINC000566160640 406086478 /nfs/dbraw/zinc/08/64/78/406086478.db2.gz AXQHFUHKJTUDHB-KRWDZBQOSA-N 0 0 323.458 2.472 10 30 DEEERN C=CCn1c(-c2scnc2C)nnc1N(C)C[C@@H](C)C#N ZINC000566914790 406092401 /nfs/dbraw/zinc/09/24/01/406092401.db2.gz ZFRDRNDPXDABQB-JTQLQIEISA-N 0 0 302.407 2.492 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000636663247 406045630 /nfs/dbraw/zinc/04/56/30/406045630.db2.gz ROBOIMASBFVZBN-NSHDSACASA-N 0 0 309.435 2.347 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000564859300 406066222 /nfs/dbraw/zinc/06/62/22/406066222.db2.gz YHKWHLJCALGRKT-CABZTGNLSA-N 0 0 309.749 2.390 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000636753045 406072447 /nfs/dbraw/zinc/07/24/47/406072447.db2.gz XTYXRCVFPMABRI-MGPQQGTHSA-N 0 0 322.449 2.025 10 30 DEEERN COCCNc1ccccc1CNC(=O)Cc1cccc(C#N)c1 ZINC000532412031 406075403 /nfs/dbraw/zinc/07/54/03/406075403.db2.gz QEMCMLJYMGAPBD-UHFFFAOYSA-N 0 0 323.396 2.475 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)C[C@H]1CCOC1 ZINC000636769811 406076863 /nfs/dbraw/zinc/07/68/63/406076863.db2.gz DMPVCLQIIFPNQT-ZIAGYGMSSA-N 0 0 310.438 2.026 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@@H]1CCO[C@H]1C(=C)C ZINC000636936454 406126809 /nfs/dbraw/zinc/12/68/09/406126809.db2.gz MZVTZFUEMQHLGP-GJZGRUSLSA-N 0 0 322.449 2.192 10 30 DEEERN C=C1CC(C)(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000632412443 406127379 /nfs/dbraw/zinc/12/73/79/406127379.db2.gz BESILOCCSGFFIE-HNNXBMFYSA-N 0 0 313.401 2.045 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1nc2c(s1)CCC2 ZINC000567749613 406133952 /nfs/dbraw/zinc/13/39/52/406133952.db2.gz PTOBYFAOBCZHKY-UHFFFAOYSA-N 0 0 307.419 2.433 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000637012004 406149835 /nfs/dbraw/zinc/14/98/35/406149835.db2.gz FMSMYIACAYQASA-UONOGXRCSA-N 0 0 310.438 2.169 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000632543313 406176599 /nfs/dbraw/zinc/17/65/99/406176599.db2.gz XTRRAHTUKTZFGT-HUUCEWRRSA-N 0 0 324.465 2.105 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC(Cc2ccco2)C1 ZINC000637116918 406181604 /nfs/dbraw/zinc/18/16/04/406181604.db2.gz FMKBZAXARQECLZ-HOCLYGCPSA-N 0 0 304.390 2.445 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)Cc1cnccc1C ZINC000632562432 406182901 /nfs/dbraw/zinc/18/29/01/406182901.db2.gz PFVIJPAKYIHDMR-UHFFFAOYSA-N 0 0 317.433 2.457 10 30 DEEERN C=CCCC(C)(C)CNS(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000632642214 406210072 /nfs/dbraw/zinc/21/00/72/406210072.db2.gz OSQUJFULGNVICW-UHFFFAOYSA-N 0 0 324.446 2.365 10 30 DEEERN C=CCCCCCNC(=O)CNC(=O)Cc1cccc(F)c1 ZINC000568223736 406217029 /nfs/dbraw/zinc/21/70/29/406217029.db2.gz UJDKTZVZTBXWTF-UHFFFAOYSA-N 0 0 306.381 2.347 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000637321050 406257904 /nfs/dbraw/zinc/25/79/04/406257904.db2.gz DCJDPYBWFOLVRP-ZIAGYGMSSA-N 0 0 307.438 2.289 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000569962104 406326403 /nfs/dbraw/zinc/32/64/03/406326403.db2.gz HICPELMUXGBYIA-AAEUAGOBSA-N 0 0 304.394 2.487 10 30 DEEERN C=CCN(Cc1cc2cccnc2o1)[C@@H]1CCS(=O)(=O)C1 ZINC000570156501 406353963 /nfs/dbraw/zinc/35/39/63/406353963.db2.gz BXRJXOASUTUFNI-CYBMUJFWSA-N 0 0 306.387 2.003 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000488882742 406357866 /nfs/dbraw/zinc/35/78/66/406357866.db2.gz VGVLHHYOKICYLE-ZDUSSCGKSA-N 0 0 300.362 2.409 10 30 DEEERN CC(C)(C#N)NS(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000541782469 406301000 /nfs/dbraw/zinc/30/10/00/406301000.db2.gz VVCDFEZVDRUYFX-UHFFFAOYSA-N 0 0 307.400 2.391 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-c2n[nH]c(C)n2)cc1 ZINC000520569049 406301723 /nfs/dbraw/zinc/30/17/23/406301723.db2.gz QYWYQDXDUYCPTB-GJZGRUSLSA-N 0 0 312.373 2.101 10 30 DEEERN C=C[C@H](C)NC(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1 ZINC000489214691 406384562 /nfs/dbraw/zinc/38/45/62/406384562.db2.gz DVBDYWAJGQGHDC-ZDUSSCGKSA-N 0 0 317.389 2.163 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@H](C)CCS(C)(=O)=O ZINC000633125435 406386471 /nfs/dbraw/zinc/38/64/71/406386471.db2.gz VUMWBOIRMJXZLS-GFCCVEGCSA-N 0 0 304.456 2.101 10 30 DEEERN C=CCC[C@H](CO)NC(=O)NCC1([C@H]2CCCCO2)CCC1 ZINC000637694290 406391069 /nfs/dbraw/zinc/39/10/69/406391069.db2.gz JNDHEYAJURKASJ-HUUCEWRRSA-N 0 0 310.438 2.352 10 30 DEEERN C=CC[C@H](CO)CNC(=O)NCC1([C@@H]2CCCCO2)CCC1 ZINC000637701305 406395657 /nfs/dbraw/zinc/39/56/57/406395657.db2.gz TXFGYADNXKXWNP-GJZGRUSLSA-N 0 0 310.438 2.210 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(OC)c(COC)c1 ZINC000635058085 406413041 /nfs/dbraw/zinc/41/30/41/406413041.db2.gz GURDPHQUOKSXKA-UHFFFAOYSA-N 0 0 320.389 2.205 10 30 DEEERN C=CCCCS(=O)(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000489654607 406423517 /nfs/dbraw/zinc/42/35/17/406423517.db2.gz WANJXNVYIPWABR-ZDUSSCGKSA-N 0 0 317.451 2.479 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCC[C@H](N2CCNC2=O)C1 ZINC000637621185 406368096 /nfs/dbraw/zinc/36/80/96/406368096.db2.gz LDSUHIVFVFTFAV-AWEZNQCLSA-N 0 0 322.453 2.178 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N(CCO)Cc1ccnn1CC ZINC000637620766 406368404 /nfs/dbraw/zinc/36/84/04/406368404.db2.gz HCSNNNYQHYRXAR-UHFFFAOYSA-N 0 0 322.453 2.399 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000635275734 406483698 /nfs/dbraw/zinc/48/36/98/406483698.db2.gz LDPNIIZQYUKNLJ-WOSRLPQWSA-N 0 0 316.401 2.426 10 30 DEEERN C=CCCCCCNC(=O)CN1CCN(c2ccccn2)CC1 ZINC000574219805 406780573 /nfs/dbraw/zinc/78/05/73/406780573.db2.gz TXQOPJZNKKAVGG-UHFFFAOYSA-N 0 0 316.449 2.066 10 30 DEEERN CCOC(=O)Cc1cc([N+](=O)[O-])c(C#N)cc1Br ZINC000575383624 406808264 /nfs/dbraw/zinc/80/82/64/406808264.db2.gz TWGQRXNIGNXMHC-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN CCOC(=O)Cc1cc(C#N)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575388411 406809114 /nfs/dbraw/zinc/80/91/14/406809114.db2.gz UJMYPHKDEGSORS-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000575982892 406828063 /nfs/dbraw/zinc/82/80/63/406828063.db2.gz ABPVURZNXJPZCS-FXUDXRNXSA-N 0 0 310.438 2.328 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)Cc1cc(C)cc(C)c1 ZINC000577276298 406835870 /nfs/dbraw/zinc/83/58/70/406835870.db2.gz FNROPTDTROQPAL-HOTGVXAUSA-N 0 0 309.431 2.314 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2C[C@@H](OCC)[C@]23CCCO3)CCOCC1 ZINC000577216630 406835934 /nfs/dbraw/zinc/83/59/34/406835934.db2.gz STTFKYSHBHCROH-RKVPGOIHSA-N 0 0 323.433 2.202 10 30 DEEERN C#CCNCc1ncc(Br)cc1Br ZINC000129817055 196078566 /nfs/dbraw/zinc/07/85/66/196078566.db2.gz OZEHWRYGOGEIGM-UHFFFAOYSA-N 0 0 303.985 2.329 10 30 DEEERN N#CCc1ccc(NS(=O)(=O)c2ccc(N)c(F)c2)cc1 ZINC000131004073 196132028 /nfs/dbraw/zinc/13/20/28/196132028.db2.gz LONQCFPYOWQSCM-UHFFFAOYSA-N 0 0 305.334 2.275 10 30 DEEERN Cc1ncsc1CNC(=O)c1cc(C)cc(C#CCO)c1 ZINC000131648100 196187306 /nfs/dbraw/zinc/18/73/06/196187306.db2.gz NAKFZIHGASUYOY-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN CCCn1c(Sc2cc(C#N)ccc2[C@@H](C)O)n[nH]c1=O ZINC000131737734 196195717 /nfs/dbraw/zinc/19/57/17/196195717.db2.gz HTMQKECOYXQEES-SECBINFHSA-N 0 0 304.375 2.058 10 30 DEEERN CSCC[C@@H](C)NC(=O)c1ccc(C#CCCO)cc1F ZINC000132358776 196249165 /nfs/dbraw/zinc/24/91/65/196249165.db2.gz PWCYREZUCMOJDT-GFCCVEGCSA-N 0 0 309.406 2.431 10 30 DEEERN C#CCn1ncc(N[C@H]2CC[C@H](C)C2)c(Br)c1=O ZINC000133262689 196325797 /nfs/dbraw/zinc/32/57/97/196325797.db2.gz NDDUCSPZYWOOQO-UWVGGRQHSA-N 0 0 310.195 2.240 10 30 DEEERN C[C@@H](NC(=O)c1sccc1C#N)c1nnc2n1CCCC2 ZINC000134073716 196358788 /nfs/dbraw/zinc/35/87/88/196358788.db2.gz JRELPFUPRWGAGT-SECBINFHSA-N 0 0 301.375 2.039 10 30 DEEERN C=CCN(CC(=O)OCC)[C@H]1CCOC2(CCSCC2)C1 ZINC000134121288 196363572 /nfs/dbraw/zinc/36/35/72/196363572.db2.gz IRNUSPHMEVUREB-AWEZNQCLSA-N 0 0 313.463 2.482 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000134128914 196364209 /nfs/dbraw/zinc/36/42/09/196364209.db2.gz OQVYMEGLTRWIGB-HNNXBMFYSA-N 0 0 300.406 2.330 10 30 DEEERN C=CCCCN(C)C(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000135097945 196443833 /nfs/dbraw/zinc/44/38/33/196443833.db2.gz GVHYZEAGLCXPGM-ZDUSSCGKSA-N 0 0 302.374 2.225 10 30 DEEERN N#Cc1ccc(CC(=O)Nc2cn(Cc3ccccc3)nn2)cc1 ZINC000191955545 225120810 /nfs/dbraw/zinc/12/08/10/225120810.db2.gz IGYKQALZVDBYAQ-UHFFFAOYSA-N 0 0 317.352 2.379 10 30 DEEERN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)CC#N)C(C)C ZINC000194722041 225188770 /nfs/dbraw/zinc/18/87/70/225188770.db2.gz WABQQPSINUYOCC-ZFWWWQNUSA-N 0 0 301.390 2.168 10 30 DEEERN O=C(Cc1cncnc1)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000329731420 225922581 /nfs/dbraw/zinc/92/25/81/225922581.db2.gz PTHPVRRWYBSVEF-AAEUAGOBSA-N 0 0 317.311 2.459 10 30 DEEERN O=C(NCCc1cc(F)c(F)c(F)c1)N1CC(O)(C2CC2)C1 ZINC000329540309 225892894 /nfs/dbraw/zinc/89/28/94/225892894.db2.gz NBUVPVBHECOGCX-UHFFFAOYSA-N 0 0 314.307 2.017 10 30 DEEERN Cc1ccnc(NC(=O)N2CCC[C@H](NC(=O)C(C)C)C2)c1 ZINC000330814010 226032159 /nfs/dbraw/zinc/03/21/59/226032159.db2.gz KLLJDLZJYGZQOW-ZDUSSCGKSA-N 0 0 304.394 2.172 10 30 DEEERN N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2CCOC3(CCOCC3)C2)C1 ZINC000333360657 226104916 /nfs/dbraw/zinc/10/49/16/226104916.db2.gz HBYKDJZFPAJMPH-KKUMJFAQSA-N 0 0 321.421 2.096 10 30 DEEERN N#C[C@@]1(c2nc(CC(=O)NC3CCCC3)no2)CC12CCCC2 ZINC000333845262 226111272 /nfs/dbraw/zinc/11/12/72/226111272.db2.gz ODONRCBVFPAFFB-QGZVFWFLSA-N 0 0 314.389 2.396 10 30 DEEERN N#CC[C@@H]1CC[C@H](NC(=O)NCC2(CO)CC3(CCC3)C2)C1 ZINC000334100654 226115299 /nfs/dbraw/zinc/11/52/99/226115299.db2.gz WANJGNVAIJSWJA-KBPBESRZSA-N 0 0 305.422 2.311 10 30 DEEERN N#C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CCN1C1CC1 ZINC000369403897 227029638 /nfs/dbraw/zinc/02/96/38/227029638.db2.gz NPEXSUUUXXBBFF-CQSZACIVSA-N 0 0 320.780 2.420 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)CCN1C1CC1 ZINC000370713976 227058179 /nfs/dbraw/zinc/05/81/79/227058179.db2.gz DFMXCARQGBHXAP-GFCCVEGCSA-N 0 0 307.756 2.291 10 30 DEEERN N#C[C@H]1CN(C(=O)c2nccc3ccccc32)CCN1C1CC1 ZINC000370967995 227060275 /nfs/dbraw/zinc/06/02/75/227060275.db2.gz JJKVCPSQWVPFMA-HNNXBMFYSA-N 0 0 306.369 2.047 10 30 DEEERN N#C[C@H]1CN(Cc2cc(Cl)cc3c2OCC3)CCN1C1CC1 ZINC000371680938 227076444 /nfs/dbraw/zinc/07/64/44/227076444.db2.gz MXBJTUKSFVPETH-INIZCTEOSA-N 0 0 317.820 2.447 10 30 DEEERN Cc1ccn2c(c1)nnc2NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000088253731 418492557 /nfs/dbraw/zinc/49/25/57/418492557.db2.gz LAYABPWKTTZDQT-LBPRGKRZSA-N 0 0 321.340 2.315 10 30 DEEERN C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC000291096041 222132986 /nfs/dbraw/zinc/13/29/86/222132986.db2.gz SVKBLPMGNYCDFV-CQSZACIVSA-N 0 0 313.409 2.165 10 30 DEEERN N#CC1(c2ccccn2)CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC000376594509 227172625 /nfs/dbraw/zinc/17/26/25/227172625.db2.gz FIRFYEMVWYIRRD-LBPRGKRZSA-N 0 0 313.323 2.252 10 30 DEEERN C[C@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@H]1c1ccco1 ZINC000407954366 227224927 /nfs/dbraw/zinc/22/49/27/227224927.db2.gz GJMHEOSRONIBNC-OLZOCXBDSA-N 0 0 311.407 2.143 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccncc1Br ZINC000408236746 227229162 /nfs/dbraw/zinc/22/91/62/227229162.db2.gz QPPFUAIWNLUDNH-SCZZXKLOSA-N 0 0 309.167 2.080 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000408340058 227232708 /nfs/dbraw/zinc/23/27/08/227232708.db2.gz UAXRERDYUNNXHS-HQJQHLMTSA-N 0 0 304.293 2.074 10 30 DEEERN Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2C#N)c(F)cc1F ZINC000408421968 227234018 /nfs/dbraw/zinc/23/40/18/227234018.db2.gz DFXSUGAHLABFQE-SKDRFNHKSA-N 0 0 300.330 2.244 10 30 DEEERN N#Cc1ccc(Oc2ccc(I)nc2)nn1 ZINC000301980141 230016812 /nfs/dbraw/zinc/01/68/12/230016812.db2.gz XOAUUHQUSDPBBU-UHFFFAOYSA-N 0 0 324.081 2.140 10 30 DEEERN CNC(=O)[C@@H]1CCC[C@H]1Nc1ccc(C(F)(F)F)c(C#N)n1 ZINC000619697256 422532006 /nfs/dbraw/zinc/53/20/06/422532006.db2.gz RWEGVCJJTGUFOR-PSASIEDQSA-N 0 0 312.295 2.299 10 30 DEEERN N#Cc1ccc(C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)[nH]1 ZINC000119558635 264024998 /nfs/dbraw/zinc/02/49/98/264024998.db2.gz VISCEYPYHYRFMD-AWEZNQCLSA-N 0 0 324.388 2.182 10 30 DEEERN CC1(C)C[C@H]1NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000358702419 424824328 /nfs/dbraw/zinc/82/43/28/424824328.db2.gz FOXCONWTXWXTTI-CYBMUJFWSA-N 0 0 313.336 2.803 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNc1nnc(C2CCOCC2)s1 ZINC000555200071 424880018 /nfs/dbraw/zinc/88/00/18/424880018.db2.gz PWIUYLGDVBPEHD-OLZOCXBDSA-N 0 0 309.435 2.825 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1ncnc2c(OC)cc(OC)cc12 ZINC000566910554 424912598 /nfs/dbraw/zinc/91/25/98/424912598.db2.gz RWXFSJIWNGMSOF-FZMZJTMJSA-N 0 0 315.373 2.650 10 30 DEEERN Cc1nc(N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)ccc1C#N ZINC000568732012 424920312 /nfs/dbraw/zinc/92/03/12/424920312.db2.gz AXECEQGYRABPFO-QAPCUYQASA-N 0 0 306.369 2.694 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1nc(-c2ccc(OC)cc2)no1 ZINC000564878648 424903615 /nfs/dbraw/zinc/90/36/15/424903615.db2.gz HXHPUWUVMPNWLL-JSGCOSHPSA-N 0 0 301.346 2.748 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1nnc(CCCC)s1 ZINC000425617923 424998775 /nfs/dbraw/zinc/99/87/75/424998775.db2.gz CXYQCFFAVXXBRS-QWRGUYRKSA-N 0 0 310.423 2.593 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCC[C@@]3(CCCOC3)C2)s1 ZINC000433205195 425021236 /nfs/dbraw/zinc/02/12/36/425021236.db2.gz BVHWTLMVEPKDND-MRXNPFEDSA-N 0 0 321.446 2.774 10 30 DEEERN C=CCn1c(Nc2cnn(C)c2)nnc1-c1ccc(C)c(F)c1 ZINC000350730278 425032702 /nfs/dbraw/zinc/03/27/02/425032702.db2.gz ROZYJPKZDUIBHD-UHFFFAOYSA-N 0 0 312.352 3.056 10 30 DEEERN CCCCCc1nnc(NC(=O)c2ccc(C#N)n2C)s1 ZINC000448758215 425059137 /nfs/dbraw/zinc/05/91/37/425059137.db2.gz BTPAAIODYXABTN-UHFFFAOYSA-N 0 0 303.391 2.733 10 30 DEEERN C=C(C)CCNC(=O)C(=O)Nc1nn(C2CCCCC2)cc1C ZINC000453885184 425088419 /nfs/dbraw/zinc/08/84/19/425088419.db2.gz UTEMFHYYZVJXPZ-UHFFFAOYSA-N 0 0 318.421 2.718 10 30 DEEERN Cc1cc(NC(=O)c2cc(C#N)cn2C)n(-c2ccccn2)n1 ZINC000177269703 267345803 /nfs/dbraw/zinc/34/58/03/267345803.db2.gz MAQJSQQTHYPDJR-UHFFFAOYSA-N 0 0 306.329 2.038 10 30 DEEERN N#Cc1cc(NC(=O)[C@H]2CNC(=O)C2)ccc1Oc1ccccc1 ZINC000186260683 268011739 /nfs/dbraw/zinc/01/17/39/268011739.db2.gz JTWNZHCAPJIRLT-CYBMUJFWSA-N 0 0 321.336 2.425 10 30 DEEERN N#Cc1ccc(OCCNC(=O)NCCOC2CCCC2)cc1 ZINC000176426716 268175153 /nfs/dbraw/zinc/17/51/53/268175153.db2.gz UFMQVHJFNGUIHO-UHFFFAOYSA-N 0 0 317.389 2.195 10 30 DEEERN N#Cc1cccc(CC(=O)N2CCn3c4ccccc4nc32)c1 ZINC000531386540 268274014 /nfs/dbraw/zinc/27/40/14/268274014.db2.gz PWVBQRQQZRPFQO-UHFFFAOYSA-N 0 0 302.337 2.497 10 30 DEEERN N#Cc1cccc(CC(=O)NCCC(=O)Nc2ccccc2)c1 ZINC000531147246 268274292 /nfs/dbraw/zinc/27/42/92/268274292.db2.gz ZANBZBUEZIJLDZ-UHFFFAOYSA-N 0 0 307.353 2.246 10 30 DEEERN N#Cc1cccc(CC(=O)NCCOc2ccc3c(c2)OCO3)c1 ZINC000531384230 268275783 /nfs/dbraw/zinc/27/57/83/268275783.db2.gz VBUVSRCQEGLPOG-UHFFFAOYSA-N 0 0 324.336 2.025 10 30 DEEERN Cc1nsc(NC(=O)N[C@H]2C[C@H](C)n3ccnc32)c1C#N ZINC000333802668 268993414 /nfs/dbraw/zinc/99/34/14/268993414.db2.gz DPODHVXOHVFRCJ-XVKPBYJWSA-N 0 0 302.363 2.347 10 30 DEEERN N#Cc1ncn(CC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)n1 ZINC000519516936 269416048 /nfs/dbraw/zinc/41/60/48/269416048.db2.gz FENZPXYPJQPWBR-CQSZACIVSA-N 0 0 313.336 2.043 10 30 DEEERN CCN1CN(c2cc(C)c(C#N)c3nc4ccccc4n32)CC1=O ZINC000302683480 273677756 /nfs/dbraw/zinc/67/77/56/273677756.db2.gz ANIHWSDQQKOSQS-UHFFFAOYSA-N 0 0 319.368 2.294 10 30 DEEERN C=CCn1c(C)nnc1N1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000453445723 276911871 /nfs/dbraw/zinc/91/18/71/276911871.db2.gz OENSBIIAJCTFPX-NSHDSACASA-N 0 0 317.359 2.093 10 30 DEEERN C=C(C)CN(C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000367940777 277767854 /nfs/dbraw/zinc/76/78/54/277767854.db2.gz GUTOEAUAOUTGFC-RDJZCZTQSA-N 0 0 316.401 2.249 10 30 DEEERN C=C(C)CS(=O)(=O)N1CC[C@H](C(=O)OC)c2ccccc21 ZINC000276507072 277779679 /nfs/dbraw/zinc/77/96/79/277779679.db2.gz DGVOBZPCSWBINE-ZDUSSCGKSA-N 0 0 309.387 2.059 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000188539190 277783226 /nfs/dbraw/zinc/78/32/26/277783226.db2.gz DZWFWYSQLRKXEG-AHIWAGSCSA-N 0 0 311.422 2.452 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)CCOCC1 ZINC000424737049 277823929 /nfs/dbraw/zinc/82/39/29/277823929.db2.gz NPISEHJQKUYGSJ-NWDGAFQWSA-N 0 0 321.339 2.274 10 30 DEEERN C[C@@H]1CS(=O)(=O)CCN1C(=O)Nc1ccc2ccoc2c1 ZINC000329770326 277950489 /nfs/dbraw/zinc/95/04/89/277950489.db2.gz IRMVHVJXMLJAMA-SNVBAGLBSA-N 0 0 308.359 2.097 10 30 DEEERN CC1(O)CCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000408449963 278472955 /nfs/dbraw/zinc/47/29/55/278472955.db2.gz CINVUTAKDAWURH-UHFFFAOYSA-N 0 0 323.190 2.308 10 30 DEEERN Cn1ncc(C(=O)N2CC3(CCOCC3)c3ccccc32)c1C#N ZINC000357037284 279402032 /nfs/dbraw/zinc/40/20/32/279402032.db2.gz LBDAFUSRXDMVSR-UHFFFAOYSA-N 0 0 322.368 2.000 10 30 DEEERN C[C@H]1CCc2nc(NC(=O)C[C@@H]3NC(=O)NC3=O)sc2C1 ZINC000328925676 279773418 /nfs/dbraw/zinc/77/34/18/279773418.db2.gz OKNADASBFMGTFB-XPUUQOCRSA-N 0 0 308.363 2.499 10 30 DEEERN Cc1n[nH]c(C)c1[C@H](C)C(=O)NCCOc1ccc(C#N)cc1 ZINC000132995450 282005013 /nfs/dbraw/zinc/00/50/13/282005013.db2.gz ASMANXLAHOWUAR-NSHDSACASA-N 0 0 312.373 2.197 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(O)c(F)c1 ZINC000133045960 282006421 /nfs/dbraw/zinc/00/64/21/282006421.db2.gz DVMSKCXRVCKWCQ-NSHDSACASA-N 0 0 314.316 2.487 10 30 DEEERN C[C@@H]1[C@H](C(F)(F)F)CCN1S(=O)(=O)CC1(CC#N)CC1 ZINC000451514532 289006569 /nfs/dbraw/zinc/00/65/69/289006569.db2.gz ZVEHQAQUPZPSAZ-NXEZZACHSA-N 0 0 310.341 2.283 10 30 DEEERN CO[C@@H]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(C#N)oc1C ZINC000286906748 293718054 /nfs/dbraw/zinc/71/80/54/293718054.db2.gz PKGBNKZGWFHRKO-NUEKZKHPSA-N 0 0 318.373 2.116 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2c(F)cccc2Cl)CCN1C1CC1 ZINC000370968840 294827206 /nfs/dbraw/zinc/82/72/06/294827206.db2.gz NXUPKAYHDSXVLS-LLVKDONJSA-N 0 0 307.756 2.291 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000408357887 294838588 /nfs/dbraw/zinc/83/85/88/294838588.db2.gz COXQUCKSXUSJAY-MFKMUULPSA-N 0 0 301.321 2.132 10 30 DEEERN O=C(N[C@@H]1CCOc2ccccc21)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329497791 295382801 /nfs/dbraw/zinc/38/28/01/295382801.db2.gz FFDAAXJZNSZOPD-MHEUCROKSA-N 0 0 302.374 2.127 10 30 DEEERN N#C[C@@H]1CN(C(=O)C(C2CCC2)C2CCC2)CCN1C1CC1 ZINC000375812548 303160769 /nfs/dbraw/zinc/16/07/69/303160769.db2.gz YBBOXVUCAWGSRY-MRXNPFEDSA-N 0 0 301.434 2.402 10 30 DEEERN COC(=O)c1cccc(CN2CCC[C@@H]2c2cc[nH]n2)c1C#N ZINC000574180534 326131243 /nfs/dbraw/zinc/13/12/43/326131243.db2.gz LHLVZMORMKVSHU-MRXNPFEDSA-N 0 0 310.357 2.405 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC000556444673 331704987 /nfs/dbraw/zinc/70/49/87/331704987.db2.gz RWKLKMSBBUIKRM-VXGBXAGGSA-N 0 0 315.425 2.050 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000569598472 332191718 /nfs/dbraw/zinc/19/17/18/332191718.db2.gz DWMSZUHLZZNSIV-JYJNAYRXSA-N 0 0 308.422 2.036 10 30 DEEERN C=CCn1c(SC[C@@H](C)CS(C)(=O)=O)nnc1C1CC1 ZINC000154938834 332440574 /nfs/dbraw/zinc/44/05/74/332440574.db2.gz RAZSGTWRUXAWEC-SNVBAGLBSA-N 0 0 315.464 2.114 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCCc1cccc(F)c1 ZINC000516663784 333120954 /nfs/dbraw/zinc/12/09/54/333120954.db2.gz AEXCTGTTZHZKMB-UHFFFAOYSA-N 0 0 306.381 2.347 10 30 DEEERN N#C[C@@]1(NC(=O)c2cnn3c2CCCC3)CCc2ccccc2C1 ZINC000183987414 333190728 /nfs/dbraw/zinc/19/07/28/333190728.db2.gz DBZQMFKENDDEPF-LJQANCHMSA-N 0 0 320.396 2.400 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000185716892 333370819 /nfs/dbraw/zinc/37/08/19/333370819.db2.gz SNXVMPMVLKZREK-GFCCVEGCSA-N 0 0 305.765 2.397 10 30 DEEERN N#C[C@@H]1CN(C(=O)Nc2c(F)cccc2F)CCN1C1CC1 ZINC000365239675 333399844 /nfs/dbraw/zinc/39/98/44/333399844.db2.gz LWGATMGEZJESKD-LLVKDONJSA-N 0 0 306.316 2.169 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)c1cc(C(N)=O)cn1C ZINC000125017614 334272458 /nfs/dbraw/zinc/27/24/58/334272458.db2.gz BEUSTTSGFKTZFK-UHFFFAOYSA-N 0 0 315.348 2.092 10 30 DEEERN C=CCSCCNC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000344183809 335228377 /nfs/dbraw/zinc/22/83/77/335228377.db2.gz TWJMHVIXJNKMPY-QWHCGFSZSA-N 0 0 300.468 2.344 10 30 DEEERN Cn1c2cc(NC(=O)N3CCC(C#N)CC3)ccc2ccc1=O ZINC000582641847 337114307 /nfs/dbraw/zinc/11/43/07/337114307.db2.gz FDFWTGJCKGONQG-UHFFFAOYSA-N 0 0 310.357 2.306 10 30 DEEERN Cc1nnc([C@H]2CN(CC#Cc3ccc(Cl)cc3)CCO2)[nH]1 ZINC000177350348 337157087 /nfs/dbraw/zinc/15/70/87/337157087.db2.gz VJLOLGVZXDDWEV-OAHLLOKOSA-N 0 0 316.792 2.192 10 30 DEEERN C#C[C@H](C)NC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000185319563 337204976 /nfs/dbraw/zinc/20/49/76/337204976.db2.gz HJKLVTSGNWWMFF-WPRPVWTQSA-N 0 0 311.307 2.047 10 30 DEEERN C=CCn1c(N2CCC(COC)CC2)nnc1[C@]1(C)CCCO1 ZINC000583006668 337228339 /nfs/dbraw/zinc/22/83/39/337228339.db2.gz FCUPZOLXVFOVSG-KRWDZBQOSA-N 0 0 320.437 2.353 10 30 DEEERN Cc1ccc(-c2cc(C(=O)N3CCO[C@@H](C#N)C3)[nH]n2)c(C)c1 ZINC000189288448 337278261 /nfs/dbraw/zinc/27/82/61/337278261.db2.gz SKYFGQAZTNAAJE-ZDUSSCGKSA-N 0 0 310.357 2.058 10 30 DEEERN CC(=O)N(c1ccccc1I)[C@H](C)C=O ZINC000584607778 337371790 /nfs/dbraw/zinc/37/17/90/337371790.db2.gz CVKXJEZXNKLJOH-MRVPVSSYSA-N 0 0 317.126 2.232 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[C@@H](C)[C@H]1C ZINC000516150954 338005529 /nfs/dbraw/zinc/00/55/29/338005529.db2.gz ROFXDMDSDLIION-VXGBXAGGSA-N 0 0 315.425 2.193 10 30 DEEERN C=CC[C@@H](C(=O)N1CCC[C@H](NC(C)=O)C1)c1ccccc1 ZINC000186835639 340516395 /nfs/dbraw/zinc/51/63/95/340516395.db2.gz XAXADPYXAGGSSP-DLBZAZTESA-N 0 0 300.402 2.473 10 30 DEEERN CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000128304479 340870322 /nfs/dbraw/zinc/87/03/22/340870322.db2.gz XBRPQPAUPNVMPI-SNVBAGLBSA-N 0 0 321.764 2.290 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1C[C@H]1c1cccc(OCC)c1 ZINC000545163559 341110826 /nfs/dbraw/zinc/11/08/26/341110826.db2.gz QHDCLQHHMSPGAT-CWRNSKLLSA-N 0 0 304.390 2.177 10 30 DEEERN C=CCN1CC[C@@H](N(C)Cc2c[nH]c(-c3ccccc3)n2)C1=O ZINC000547406714 341211545 /nfs/dbraw/zinc/21/15/45/341211545.db2.gz WXQIFPYWUFPRHB-MRXNPFEDSA-N 0 0 310.401 2.295 10 30 DEEERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000134735843 341222822 /nfs/dbraw/zinc/22/28/22/341222822.db2.gz FTHNHUSLSRXLOB-ZDUSSCGKSA-N 0 0 305.422 2.080 10 30 DEEERN C=CCN(CC#Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000135187164 341232984 /nfs/dbraw/zinc/23/29/84/341232984.db2.gz HXSPJJNIBVDQAD-OAHLLOKOSA-N 0 0 323.845 2.367 10 30 DEEERN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000135250211 341234425 /nfs/dbraw/zinc/23/44/25/341234425.db2.gz IMWPEZRHBGNRMG-RHSMWYFYSA-N 0 0 301.390 2.296 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC000548853487 341278186 /nfs/dbraw/zinc/27/81/86/341278186.db2.gz AJHNPJPOUDKACE-GJZGRUSLSA-N 0 0 320.437 2.424 10 30 DEEERN CC(C)[C@@H]1OCCC[C@@H]1Nc1nccc(N(C)CCC#N)n1 ZINC000572548984 341467643 /nfs/dbraw/zinc/46/76/43/341467643.db2.gz ZPYXGEOGSFDBPD-ZFWWWQNUSA-N 0 0 303.410 2.442 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CCC[C@H]1CC ZINC000568031690 341646879 /nfs/dbraw/zinc/64/68/79/341646879.db2.gz HFSBFXICLALDBN-CYBMUJFWSA-N 0 0 315.425 2.337 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1cc(C)nc(C)c1 ZINC000574053416 341747147 /nfs/dbraw/zinc/74/71/47/341747147.db2.gz LARBYORTUJXWNB-UHFFFAOYSA-N 0 0 303.406 2.177 10 30 DEEERN C=CCN(C)c1nnc([C@@]2(C)CCCO2)n1C[C@H]1CCCO1 ZINC000576590593 341854048 /nfs/dbraw/zinc/85/40/48/341854048.db2.gz XUPYXBGRRWIZFE-CZUORRHYSA-N 0 0 306.410 2.105 10 30 DEEERN C=CCn1c(N2CC(C)(C)OC[C@@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000576825204 341864994 /nfs/dbraw/zinc/86/49/94/341864994.db2.gz BNKWQAMQOYFANP-SUMWQHHRSA-N 0 0 320.437 2.493 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C)c2nccn2c1 ZINC000580545987 341873154 /nfs/dbraw/zinc/87/31/54/341873154.db2.gz GVYSZAHIUXVOJJ-JSGCOSHPSA-N 0 0 300.362 2.355 10 30 DEEERN C=CCCCCCNC(=O)N1CCCC[C@@H]1CS(C)(=O)=O ZINC000577623257 341924867 /nfs/dbraw/zinc/92/48/67/341924867.db2.gz JPMZCZACXXDGMO-CQSZACIVSA-N 0 0 316.467 2.342 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000178568534 533730039 /nfs/dbraw/zinc/73/00/39/533730039.db2.gz RMQUQGKCJZLTLQ-CYBMUJFWSA-N 0 0 313.279 2.398 10 30 DEEERN Cc1c(F)cccc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000377947876 533887531 /nfs/dbraw/zinc/88/75/31/533887531.db2.gz GZUWYXKQAOXNNJ-CYBMUJFWSA-N 0 0 302.353 2.338 10 30 DEEERN C[C@H](N[C@@H]1CCC[C@H]1C#N)C(=O)N1CCc2sccc2C1 ZINC000408200023 533984566 /nfs/dbraw/zinc/98/45/66/533984566.db2.gz YSMAXTQTMZNKBI-SGMGOOAPSA-N 0 0 303.431 2.303 10 30 DEEERN CS[C@H](CO)[C@@H](C)Nc1ncc(Br)cc1C#N ZINC000297280836 534072916 /nfs/dbraw/zinc/07/29/16/534072916.db2.gz XJBYOQRHNHGTBW-GMSGAONNSA-N 0 0 316.224 2.240 10 30 DEEERN Cc1ccc(-c2n[nH]cc2CN2CCN(C3CC3)[C@H](C#N)C2)o1 ZINC000371328758 534202546 /nfs/dbraw/zinc/20/25/46/534202546.db2.gz YRVCSNXEQCQJLA-OAHLLOKOSA-N 0 0 311.389 2.150 10 30 DEEERN CC1CCN(C(=O)C2CCN(c3ccncc3C#N)CC2)CC1 ZINC000364908683 520973407 /nfs/dbraw/zinc/97/34/07/520973407.db2.gz JEIGWLIODFDLOA-UHFFFAOYSA-N 0 0 312.417 2.428 10 30 DEEERN CCC1(CC)CN(C(=O)c2ccc(C#N)c(O)c2)CC[S@@]1=O ZINC000188822832 521689977 /nfs/dbraw/zinc/68/99/77/521689977.db2.gz YZVPZBQQOOLWTJ-JOCHJYFZSA-N 0 0 320.414 2.027 10 30 DEEERN C=CCC1(C(=O)N2CCC(O)(C(=O)OCC)CC2)CCCCC1 ZINC000449909843 534582755 /nfs/dbraw/zinc/58/27/55/534582755.db2.gz BOVNORKLRBRITM-UHFFFAOYSA-N 0 0 323.433 2.430 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1sc(C(C)(C)OC)nc1C ZINC000452952654 534607701 /nfs/dbraw/zinc/60/77/01/534607701.db2.gz MHDPWXWGYPMHPB-MNOVXSKESA-N 0 0 310.419 2.406 10 30 DEEERN N#CCN1CCC[C@H](CNC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000448174731 534667744 /nfs/dbraw/zinc/66/77/44/534667744.db2.gz CHKANOQHKMDGPE-CYBMUJFWSA-N 0 0 323.799 2.373 10 30 DEEERN O=C(NCc1noc2c1CCCC2)N1CC2(C1)CCCOC2 ZINC000329701390 534758650 /nfs/dbraw/zinc/75/86/50/534758650.db2.gz HJECUXPZLCSYBR-UHFFFAOYSA-N 0 0 305.378 2.080 10 30 DEEERN Cc1csc(C2(NCC(=O)N[C@](C)(C#N)C3CC3)CCC2)n1 ZINC000265504244 534794769 /nfs/dbraw/zinc/79/47/69/534794769.db2.gz PXEMIHNPVMPJDR-OAHLLOKOSA-N 0 0 318.446 2.229 10 30 DEEERN Cc1nn(C)c(C)c1CCNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187899898 534814951 /nfs/dbraw/zinc/81/49/51/534814951.db2.gz GAUIZDYBJOVURY-UHFFFAOYSA-N 0 0 322.412 2.299 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)NCc1nccn1CC ZINC000297634519 526319049 /nfs/dbraw/zinc/31/90/49/526319049.db2.gz BJEDPASDPGKHHX-UHFFFAOYSA-N 0 0 302.378 2.436 10 30 DEEERN CC#CCN(C)C(=O)c1cnn(-c2ccncc2)c1C(F)F ZINC000341060945 526356638 /nfs/dbraw/zinc/35/66/38/526356638.db2.gz ZZUCDXCXGZBCEL-UHFFFAOYSA-N 0 0 304.300 2.300 10 30 DEEERN CC#CCNC(=O)[C@@H]1CCCCN1C(=O)c1cc(C)cc(C)c1 ZINC000378409169 526379759 /nfs/dbraw/zinc/37/97/59/526379759.db2.gz YSENFGKLTQRWIH-KRWDZBQOSA-N 0 0 312.413 2.438 10 30 DEEERN C=CCN(Cc1nnc(CC)n1C)Cc1cccc([N+](=O)[O-])c1 ZINC000195116594 526382639 /nfs/dbraw/zinc/38/26/39/526382639.db2.gz KNRPAHITRIYSLO-UHFFFAOYSA-N 0 0 315.377 2.474 10 30 DEEERN C=C(Br)CN1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159614973 526427554 /nfs/dbraw/zinc/42/75/54/526427554.db2.gz BAFLUHPBXPGIKZ-NEPJUHHUSA-N 0 0 316.195 2.313 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)c2cc(CC)c(CC)o2)C1=O ZINC000337093245 526497350 /nfs/dbraw/zinc/49/73/50/526497350.db2.gz NHMFMUSPLUAKKX-ZDUSSCGKSA-N 0 0 304.390 2.263 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N[C@H](C)CCc1ccc(C)o1 ZINC000359225031 526515381 /nfs/dbraw/zinc/51/53/81/526515381.db2.gz LOSIVXOKRPTPJZ-CYBMUJFWSA-N 0 0 306.406 2.450 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCOC[C@H]1C ZINC000342381596 526557868 /nfs/dbraw/zinc/55/78/68/526557868.db2.gz STKLGVOHSOVGNX-CJNGLKHVSA-N 0 0 307.390 2.349 10 30 DEEERN C=CCNC(=O)Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000339567924 526577490 /nfs/dbraw/zinc/57/74/90/526577490.db2.gz HWPGGTLRRWOOGR-UHFFFAOYSA-N 0 0 311.263 2.199 10 30 DEEERN C=CCNC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000175514393 526582644 /nfs/dbraw/zinc/58/26/44/526582644.db2.gz JDXAVWVTXDWZIS-AWEZNQCLSA-N 0 0 301.390 2.024 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@H](c2nncn2C(C)C)C1 ZINC000376688752 526671984 /nfs/dbraw/zinc/67/19/84/526671984.db2.gz QAXLFAZKQDVKQS-INIZCTEOSA-N 0 0 312.417 2.228 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000376900779 526675072 /nfs/dbraw/zinc/67/50/72/526675072.db2.gz BHAZCEMQJTYIPV-CQSZACIVSA-N 0 0 306.369 2.107 10 30 DEEERN C#CCC1(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)CCCCC1 ZINC000373761695 526676195 /nfs/dbraw/zinc/67/61/95/526676195.db2.gz AIBAKYWYNLADAR-ZNMIVQPWSA-N 0 0 302.418 2.086 10 30 DEEERN C=CCOCC(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000340692975 526701728 /nfs/dbraw/zinc/70/17/28/526701728.db2.gz WTRRJAVXXYKXQK-UHFFFAOYSA-N 0 0 311.328 2.289 10 30 DEEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(C)CCCC(=O)NC ZINC000338845490 526718671 /nfs/dbraw/zinc/71/86/71/526718671.db2.gz FZYSGCZNAQOMSQ-UHFFFAOYSA-N 0 0 317.393 2.077 10 30 DEEERN C#CCCNC(=O)C1(CC)CCN(C(=O)c2ccccc2)CC1 ZINC000376847576 526733500 /nfs/dbraw/zinc/73/35/00/526733500.db2.gz XBQPBGLUDOIMSG-UHFFFAOYSA-N 0 0 312.413 2.459 10 30 DEEERN C#CCCNC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000370450618 526738158 /nfs/dbraw/zinc/73/81/58/526738158.db2.gz OJXVGGYXRJXXOG-JTQLQIEISA-N 0 0 311.307 2.048 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N(C)Cc1ccco1 ZINC000283612339 526739578 /nfs/dbraw/zinc/73/95/78/526739578.db2.gz NCLQBQGFQICKKW-CQSZACIVSA-N 0 0 318.377 2.172 10 30 DEEERN C#CCCS(=O)(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000367959093 526750589 /nfs/dbraw/zinc/75/05/89/526750589.db2.gz WAKPCZIOEFZDBY-SNVBAGLBSA-N 0 0 320.197 2.370 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCOCc1ccc(OC)cc1 ZINC000346624295 526763033 /nfs/dbraw/zinc/76/30/33/526763033.db2.gz WICZCPSDWVPJTJ-IRXDYDNUSA-N 0 0 319.401 2.309 10 30 DEEERN C=CCOCCN1C(=O)[C@@H]2C[C@@H](C3CCCCC3)CN2C1=O ZINC000373884678 526771067 /nfs/dbraw/zinc/77/10/67/526771067.db2.gz ZQYVOZYJIQMMII-CABCVRRESA-N 0 0 306.406 2.422 10 30 DEEERN C=CCOCCNC(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000371638101 526777460 /nfs/dbraw/zinc/77/74/60/526777460.db2.gz ONSXSQYYIVJBQM-MRXNPFEDSA-N 0 0 322.380 2.420 10 30 DEEERN C=CCOc1ccc(C(=O)N(C[C@H]2CCC(=O)N2)C(C)C)cc1 ZINC000414013250 526836880 /nfs/dbraw/zinc/83/68/80/526836880.db2.gz IGIYNOMXXCYCFE-OAHLLOKOSA-N 0 0 316.401 2.381 10 30 DEEERN C=C(CNC(=O)NCCNC(=O)c1ccccc1)c1ccccc1 ZINC000350240134 526870311 /nfs/dbraw/zinc/87/03/11/526870311.db2.gz AMDWAIROPXMGJG-UHFFFAOYSA-N 0 0 323.396 2.429 10 30 DEEERN C=CCOc1cccc(NC(=O)C2(N3CCOCC3)CCC2)c1 ZINC000371703892 526910911 /nfs/dbraw/zinc/91/09/11/526910911.db2.gz QPQJCLVDVHGEMU-UHFFFAOYSA-N 0 0 316.401 2.445 10 30 DEEERN C=CCOc1cccnc1C(=O)NCCOc1ccc(C#N)cc1 ZINC000341455275 526961893 /nfs/dbraw/zinc/96/18/93/526961893.db2.gz LDMXMBUYAYDOCB-UHFFFAOYSA-N 0 0 323.352 2.327 10 30 DEEERN C=CCOc1cccnc1C(=O)N[C@@H](C)CCC(=O)OCC ZINC000341540535 526964308 /nfs/dbraw/zinc/96/43/08/526964308.db2.gz ZZCUQAFCOJIKLX-LBPRGKRZSA-N 0 0 306.362 2.108 10 30 DEEERN C=CCC(C)(C)CNC(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000432562979 527004358 /nfs/dbraw/zinc/00/43/58/527004358.db2.gz OQEZCVVVZDEEHB-UHFFFAOYSA-N 0 0 305.426 2.286 10 30 DEEERN C#CCNC(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000193277438 527008457 /nfs/dbraw/zinc/00/84/57/527008457.db2.gz TVVACEUVPUOINU-LLVKDONJSA-N 0 0 307.419 2.157 10 30 DEEERN C=CC[C@@H](C)NC(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000369438086 527022276 /nfs/dbraw/zinc/02/22/76/527022276.db2.gz YIUDVLIWPKFHQJ-GFCCVEGCSA-N 0 0 303.410 2.078 10 30 DEEERN C=CC[C@@H](CC)NC(=O)C(=O)N1CCc2cc(F)c(F)cc21 ZINC000440236525 527035592 /nfs/dbraw/zinc/03/55/92/527035592.db2.gz DVAAAHKLESOAEU-LLVKDONJSA-N 0 0 308.328 2.325 10 30 DEEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000281319132 527036327 /nfs/dbraw/zinc/03/63/27/527036327.db2.gz AVUQEBVMUWWVSW-DGCLKSJQSA-N 0 0 304.394 2.264 10 30 DEEERN C=CC[C@@H](CC)NC(=O)C1CCN(Cc2nccn2C)CC1 ZINC000374263319 527037148 /nfs/dbraw/zinc/03/71/48/527037148.db2.gz OWJSKZSVFXHKFU-OAHLLOKOSA-N 0 0 304.438 2.103 10 30 DEEERN C=CCC1(C(=O)N2CC[C@@H](c3nc(C)no3)C2)CCOCC1 ZINC000333346268 527047429 /nfs/dbraw/zinc/04/74/29/527047429.db2.gz ZHSZCEWYLKVTNB-CYBMUJFWSA-N 0 0 305.378 2.067 10 30 DEEERN C#CCOc1ccc(C(=O)N2CCOc3nc(C)ccc32)cc1 ZINC000180479630 527096201 /nfs/dbraw/zinc/09/62/01/527096201.db2.gz BJLMMAWDGFAZQE-UHFFFAOYSA-N 0 0 308.337 2.441 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cnn(CC(C)C)c1C1CC1 ZINC000353393567 527097481 /nfs/dbraw/zinc/09/74/81/527097481.db2.gz IKXACDWXTPPELR-ZDUSSCGKSA-N 0 0 306.410 2.475 10 30 DEEERN C#CCOc1ccccc1NC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000377810719 527134286 /nfs/dbraw/zinc/13/42/86/527134286.db2.gz DKQJPLQTJPQDAY-LBPRGKRZSA-N 0 0 310.357 2.101 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000341457433 527148878 /nfs/dbraw/zinc/14/88/78/527148878.db2.gz KUJOVMLEPIDMEA-LSDHHAIUSA-N 0 0 320.437 2.475 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000376298613 527161466 /nfs/dbraw/zinc/16/14/66/527161466.db2.gz CVXDAQAINWKYLO-IRXDYDNUSA-N 0 0 322.412 2.201 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCc2nccn2C1 ZINC000376219883 527173712 /nfs/dbraw/zinc/17/37/12/527173712.db2.gz GZUHEYWLHQLYBN-DLBZAZTESA-N 0 0 307.397 2.196 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@@H]1CCOc2ccccc21 ZINC000286047579 527177499 /nfs/dbraw/zinc/17/74/99/527177499.db2.gz RWICRLWDULVKIH-AWEZNQCLSA-N 0 0 316.401 2.094 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccccc1C(=O)OCC ZINC000195272063 527193657 /nfs/dbraw/zinc/19/36/57/527193657.db2.gz FNISSSOUBZWIEV-UHFFFAOYSA-N 0 0 311.403 2.450 10 30 DEEERN C=CCCCNC(=O)N1CCNC(=O)[C@H]1c1ccccc1C ZINC000448385967 527218953 /nfs/dbraw/zinc/21/89/53/527218953.db2.gz HLYXNALMHRGXRS-OAHLLOKOSA-N 0 0 301.390 2.144 10 30 DEEERN C=CCCCNC(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000448032542 527220691 /nfs/dbraw/zinc/22/06/91/527220691.db2.gz VRFLYPYWQROSEI-UHFFFAOYSA-N 0 0 307.369 2.211 10 30 DEEERN C=CCCCNC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000447996097 527221562 /nfs/dbraw/zinc/22/15/62/527221562.db2.gz CLXXTIZJFQSGBR-ZDUSSCGKSA-N 0 0 314.389 2.050 10 30 DEEERN C=CCc1ccc(OCC(=O)N2C[C@H]3CC[C@@H](C2)O3)c(OC)c1 ZINC000377918571 527249611 /nfs/dbraw/zinc/24/96/11/527249611.db2.gz YOPXNSRHVGEMBS-GASCZTMLSA-N 0 0 317.385 2.192 10 30 DEEERN C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC[C@H]1C ZINC000350751398 527271365 /nfs/dbraw/zinc/27/13/65/527271365.db2.gz DLAOHAAXYRQUBN-CYBMUJFWSA-N 0 0 309.373 2.228 10 30 DEEERN C=CCn1c(C(=O)Nc2ccccn2)nnc1N(CC)C1CC1 ZINC000289862246 527289296 /nfs/dbraw/zinc/28/92/96/527289296.db2.gz YOJDCLSJWAMKRF-UHFFFAOYSA-N 0 0 312.377 2.100 10 30 DEEERN C=CCCN(C)C(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000342045065 527314817 /nfs/dbraw/zinc/31/48/17/527314817.db2.gz XEECCIWCNXNIHN-CQSZACIVSA-N 0 0 306.431 2.316 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC000282274274 527315783 /nfs/dbraw/zinc/31/57/83/527315783.db2.gz MLHJOFFJTSQXPQ-CQSZACIVSA-N 0 0 319.453 2.145 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC000337874021 527356975 /nfs/dbraw/zinc/35/69/75/527356975.db2.gz XJUNAKJDWMJKGF-OCCSQVGLSA-N 0 0 305.426 2.083 10 30 DEEERN C=CCCOCCNS(=O)(=O)c1cc(C)cc(C)c1OC ZINC000337788072 527367692 /nfs/dbraw/zinc/36/76/92/527367692.db2.gz YUSNDCDDRSYBII-UHFFFAOYSA-N 0 0 313.419 2.183 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116772941 527372316 /nfs/dbraw/zinc/37/23/16/527372316.db2.gz NOOWVWKIZQPAKI-BBRMVZONSA-N 0 0 320.437 2.115 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000362025070 527379550 /nfs/dbraw/zinc/37/95/50/527379550.db2.gz KMOSNJSJFYUXQT-UONOGXRCSA-N 0 0 305.374 2.314 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CCC[C@@](CC)(CO)C2)cc1 ZINC000297518304 527435699 /nfs/dbraw/zinc/43/56/99/527435699.db2.gz HKHWEUIBLNRCPK-GOSISDBHSA-N 0 0 300.402 2.362 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@]2(C)CCCC[C@@H]2O)cc1 ZINC000297556266 527436634 /nfs/dbraw/zinc/43/66/34/527436634.db2.gz KDAVQYBAGPOQSN-WMZOPIPTSA-N 0 0 300.402 2.408 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(CCOc2ccc(F)cc2F)C1=O ZINC000420001506 527459984 /nfs/dbraw/zinc/45/99/84/527459984.db2.gz QAPYXEJQGBUZFE-LBPRGKRZSA-N 0 0 310.300 2.230 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)NC(=O)CC1CCCCC1 ZINC000424935645 527495913 /nfs/dbraw/zinc/49/59/13/527495913.db2.gz YHQLRZXLCDNWSG-KBMXLJTQSA-N 0 0 322.449 2.169 10 30 DEEERN C=CCCn1cc(C(=O)N[C@H]2CCc3c2cccc3F)nn1 ZINC000424598172 527528051 /nfs/dbraw/zinc/52/80/51/527528051.db2.gz LBQCLBOPMGVVDQ-AWEZNQCLSA-N 0 0 300.337 2.411 10 30 DEEERN C=C[C@H](C)NC(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000330936230 527553149 /nfs/dbraw/zinc/55/31/49/527553149.db2.gz RBRRYCJJNSHLNV-ZDUSSCGKSA-N 0 0 301.390 2.369 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191568244 527589807 /nfs/dbraw/zinc/58/98/07/527589807.db2.gz QUHHEPLZLUJGCH-UHFFFAOYSA-N 0 0 306.244 2.002 10 30 DEEERN CC(C)c1cccc(S(=O)(=O)N2CCSC[C@H]2C#N)c1 ZINC000408100747 528185879 /nfs/dbraw/zinc/18/58/79/528185879.db2.gz UNTLDTBCNPNMAA-CYBMUJFWSA-N 0 0 310.444 2.440 10 30 DEEERN CCC(=O)N[C@H]1CCCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000301900263 528423143 /nfs/dbraw/zinc/42/31/43/528423143.db2.gz UMPXAHJJKPBAMN-HNNXBMFYSA-N 0 0 312.417 2.327 10 30 DEEERN CC(C)C[C@](C)(C#N)NC(=O)CCc1ccc(C(N)=O)cc1 ZINC000448846505 528610203 /nfs/dbraw/zinc/61/02/03/528610203.db2.gz IKDIAVSOCNXHGZ-QGZVFWFLSA-N 0 0 301.390 2.163 10 30 DEEERN CC(C)Cc1nc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cs1 ZINC000370974609 528665403 /nfs/dbraw/zinc/66/54/03/528665403.db2.gz UWWUJNIJIKCQNS-CYBMUJFWSA-N 0 0 318.446 2.154 10 30 DEEERN CCCc1nc(C)c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 ZINC000370972174 528701704 /nfs/dbraw/zinc/70/17/04/528701704.db2.gz IMKQUZSBHFFBRJ-ZDUSSCGKSA-N 0 0 318.446 2.216 10 30 DEEERN CC(C)[C@@H]1C[C@H](CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCO1 ZINC000370069788 528775086 /nfs/dbraw/zinc/77/50/86/528775086.db2.gz KJQFREYNDDGZCO-OIISXLGYSA-N 0 0 319.449 2.026 10 30 DEEERN CC1(C)CN(c2nccc(C#N)n2)C[C@H](COc2ccccc2)O1 ZINC000296703231 529129408 /nfs/dbraw/zinc/12/94/08/529129408.db2.gz FHGORCQEBDQHAR-MRXNPFEDSA-N 0 0 324.384 2.411 10 30 DEEERN CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@H](CO)C1CC1 ZINC000456056275 535185902 /nfs/dbraw/zinc/18/59/02/535185902.db2.gz DZYNTKFIENTCHI-MRXNPFEDSA-N 0 0 300.402 2.262 10 30 DEEERN CC[C@H](NC(=O)[C@H](Oc1ccccc1C#N)C(C)C)[C@H](C)O ZINC000456221456 535846816 /nfs/dbraw/zinc/84/68/16/535846816.db2.gz NZILJCQKBBQOMD-DUVNUKRYSA-N 0 0 304.390 2.237 10 30 DEEERN CC[C@@]1(CO)CCCN1C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000189200519 536081558 /nfs/dbraw/zinc/08/15/58/536081558.db2.gz MVDZWJFKBLTQAA-DYVFJYSZSA-N 0 0 302.374 2.089 10 30 DEEERN CC(=O)N[C@H](CC(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1 ZINC000176819367 625348160 /nfs/dbraw/zinc/34/81/60/625348160.db2.gz DBRWFXDFAXKIJS-OAHLLOKOSA-N 0 0 323.352 2.470 10 30 DEEERN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CCc2ccnn2C)c1 ZINC000123603662 625582541 /nfs/dbraw/zinc/58/25/41/625582541.db2.gz OZHMAFOQNCOVEV-HNNXBMFYSA-N 0 0 310.357 2.009 10 30 DEEERN CCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ccnn2C)cc1 ZINC000123616971 625584110 /nfs/dbraw/zinc/58/41/10/625584110.db2.gz WWACLIJTIWNLCL-MRXNPFEDSA-N 0 0 324.384 2.263 10 30 DEEERN C#CCCS(=O)(=O)N1CCC[C@H]1Cc1ccccc1OC ZINC000288257261 623149498 /nfs/dbraw/zinc/14/94/98/623149498.db2.gz HGEMHRLPRWIGNZ-HNNXBMFYSA-N 0 0 307.415 2.055 10 30 DEEERN N#Cc1cnccc1NC[C@H](O)c1cccc(Br)c1 ZINC000804692588 623158208 /nfs/dbraw/zinc/15/82/08/623158208.db2.gz MSYUVDNGWJETDI-AWEZNQCLSA-N 0 0 318.174 2.283 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC(=O)OC(C)C ZINC000804861269 623934810 /nfs/dbraw/zinc/93/48/10/623934810.db2.gz WJGITHLNJBOMTH-INIZCTEOSA-N 0 0 316.401 2.262 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CSCCS1 ZINC000176061510 624583911 /nfs/dbraw/zinc/58/39/11/624583911.db2.gz RQFHBPNOXGVXSU-WCQYABFASA-N 0 0 322.455 2.290 10 30 DEEERN C#CCSCCNC(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000176299215 624708261 /nfs/dbraw/zinc/70/82/61/624708261.db2.gz YENLUEYAQKYHQN-HNNXBMFYSA-N 0 0 310.463 2.486 10 30 DEEERN CCOc1cccnc1C(=O)NCc1ccc(OCC#N)cc1 ZINC000176276161 624713182 /nfs/dbraw/zinc/71/31/82/624713182.db2.gz NPSGKYNFTBCIQV-UHFFFAOYSA-N 0 0 311.341 2.313 10 30 DEEERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2ccc(C#N)c(F)c2)C1 ZINC000888079169 625060626 /nfs/dbraw/zinc/06/06/26/625060626.db2.gz HACDBLUDSJIGBY-UKRRQHHQSA-N 0 0 300.337 2.382 10 30 DEEERN N#Cc1ccccc1/C=C/C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000178333944 625174944 /nfs/dbraw/zinc/17/49/44/625174944.db2.gz OOGWDCVCSNPUBT-ZGKFYVQTSA-N 0 0 306.365 2.291 10 30 DEEERN Cc1ccc(C(=O)N[C@@H](C(=O)N[C@@H](C#N)C2CC2)C(C)C)cc1 ZINC000161820146 625194931 /nfs/dbraw/zinc/19/49/31/625194931.db2.gz DUFRKILTCARUEJ-JKSUJKDBSA-N 0 0 313.401 2.168 10 30 DEEERN C[C@H](C#N)NS(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000255913040 625203901 /nfs/dbraw/zinc/20/39/01/625203901.db2.gz YBPHHVFYQYTZLR-SSJHQANKSA-N 0 0 315.192 2.251 10 30 DEEERN CC(C)(CCC#N)COC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000195069082 625771623 /nfs/dbraw/zinc/77/16/23/625771623.db2.gz RMQCYBATJJAXFK-IAQYHMDHSA-N 0 0 310.419 2.314 10 30 DEEERN CCO[C@@H](C)c1noc(COC(=O)c2sccc2C#N)n1 ZINC000736809644 634516402 /nfs/dbraw/zinc/51/64/02/634516402.db2.gz SGNCTUBQJDVRCR-QMMMGPOBSA-N 0 0 307.331 2.457 10 30 DEEERN C#CCOc1cccc([C@@H](C)OC(=O)COC[C@H]2CCCO2)c1 ZINC000733698561 633270293 /nfs/dbraw/zinc/27/02/93/633270293.db2.gz YNQJEEXRGVRQRI-RHSMWYFYSA-N 0 0 318.369 2.498 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)COc1ccc(O)cc1 ZINC000733827256 633286634 /nfs/dbraw/zinc/28/66/34/633286634.db2.gz NJSVBNLFOSKNQS-CYBMUJFWSA-N 0 0 321.373 2.127 10 30 DEEERN C#CCOc1ccc(NC(=O)C(=O)N[C@H](C)C2CCCC2)cc1 ZINC000733853802 633288591 /nfs/dbraw/zinc/28/85/91/633288591.db2.gz ULNXLQYLDJJBMU-CYBMUJFWSA-N 0 0 314.385 2.332 10 30 DEEERN C=C(COC(=O)c1ccc(Cn2cccn2)cc1)C(=O)OCC ZINC000734026421 633313256 /nfs/dbraw/zinc/31/32/56/633313256.db2.gz MHIPOHWBCOPBPH-UHFFFAOYSA-N 0 0 314.341 2.208 10 30 DEEERN C=C(COC(=O)Cc1coc2cc(O)ccc12)C(=O)OCC ZINC000734024312 633316935 /nfs/dbraw/zinc/31/69/35/633316935.db2.gz JWBCIAFPSIOVIY-UHFFFAOYSA-N 0 0 304.298 2.343 10 30 DEEERN C=C(C)COC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000734917207 633443471 /nfs/dbraw/zinc/44/34/71/633443471.db2.gz HNEXBKRIWLYLMQ-HOCLYGCPSA-N 0 0 303.358 2.334 10 30 DEEERN COC(=O)CN(C(=O)c1sccc1C#N)c1ccccc1 ZINC000736033608 633562703 /nfs/dbraw/zinc/56/27/03/633562703.db2.gz RMPDJMKCGJXKBW-UHFFFAOYSA-N 0 0 300.339 2.440 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSCN1C(C)=O ZINC000413992423 635697766 /nfs/dbraw/zinc/69/77/66/635697766.db2.gz XUZGVRYCWKQVFH-CVEARBPZSA-N 0 0 318.442 2.211 10 30 DEEERN C=CCC[C@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C1CC1 ZINC000159520811 636132920 /nfs/dbraw/zinc/13/29/20/636132920.db2.gz ZXBWKMDMKOABAS-ZDUSSCGKSA-N 0 0 320.389 2.139 10 30 DEEERN C=CCn1cnc2oc(C)c(C(=O)N3CCC[C@@H](C)C3)c2c1=O ZINC000222768335 636374875 /nfs/dbraw/zinc/37/48/75/636374875.db2.gz WCVPHEAQIJPGKD-LLVKDONJSA-N 0 0 315.373 2.356 10 30 DEEERN C#CCCNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000739569104 637651397 /nfs/dbraw/zinc/65/13/97/637651397.db2.gz JUZJJDALGNXCNV-UHFFFAOYSA-N 0 0 308.263 2.039 10 30 DEEERN C=CC[C@H](NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)c1ccncc1 ZINC000739734402 637689478 /nfs/dbraw/zinc/68/94/78/637689478.db2.gz SPPUKYKBAXEQKM-UYTSQGDYSA-N 0 0 314.385 2.057 10 30 DEEERN C#CCOc1ccc(NC(=O)C(=O)NC[C@@H](C)C(C)C)cc1 ZINC000740508084 637863393 /nfs/dbraw/zinc/86/33/93/637863393.db2.gz SAJATADSAAJYJW-CYBMUJFWSA-N 0 0 302.374 2.045 10 30 DEEERN C=C(COC(=O)c1ccccc1SCCO)C(=O)OCC ZINC000740968078 637923134 /nfs/dbraw/zinc/92/31/34/637923134.db2.gz OACMKAVHHQUHNQ-UHFFFAOYSA-N 0 0 310.371 2.047 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[S@@](=O)CC ZINC000741423890 637981136 /nfs/dbraw/zinc/98/11/36/637981136.db2.gz IEPLAPXPTZDIBX-QFIPXVFZSA-N 0 0 324.446 2.161 10 30 DEEERN C=CCCCCCN(C)c1ccc(S(N)(=O)=O)cc1C#N ZINC000742408884 638069278 /nfs/dbraw/zinc/06/92/78/638069278.db2.gz DSQSGDRIIFYWDK-UHFFFAOYSA-N 0 0 307.419 2.388 10 30 DEEERN C#CCOc1ccc(C(=O)OCCN(C)CC(F)(F)F)cc1 ZINC000744154644 638195512 /nfs/dbraw/zinc/19/55/12/638195512.db2.gz SWBKOEMXBIOPEH-UHFFFAOYSA-N 0 0 315.291 2.350 10 30 DEEERN N#C[C@@H]1CN(Cn2nc(C3CC3)sc2=S)CCN1C1CC1 ZINC000746376056 638338816 /nfs/dbraw/zinc/33/88/16/638338816.db2.gz GNSKCTFHYSLYOL-GFCCVEGCSA-N 0 0 321.475 2.181 10 30 DEEERN C(=NNCc1cccc2cccnc21)c1cnc2cnccn12 ZINC000746369134 638338831 /nfs/dbraw/zinc/33/88/31/638338831.db2.gz NHNAHVJRUVTYDW-UHFFFAOYSA-N 0 0 302.341 2.401 10 30 DEEERN COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1C#N ZINC000746878030 638383382 /nfs/dbraw/zinc/38/33/82/638383382.db2.gz VTCATKTYXBTBOH-UHFFFAOYSA-N 0 0 311.297 2.405 10 30 DEEERN COc1ccc(CNC(=O)c2cn3ccccc3n2)cc1C#N ZINC000746877228 638383688 /nfs/dbraw/zinc/38/36/88/638383688.db2.gz KHHQRRWVMRZPAT-UHFFFAOYSA-N 0 0 306.325 2.145 10 30 DEEERN COc1ccc(CNC(=O)c2ccc3c(c2)CCO3)cc1C#N ZINC000746873125 638384014 /nfs/dbraw/zinc/38/40/14/638384014.db2.gz SHZJRNZUILAWOR-UHFFFAOYSA-N 0 0 308.337 2.432 10 30 DEEERN COc1ccc(CNC(=O)[C@H]2Cc3ccccc3O2)cc1C#N ZINC000746937978 638388900 /nfs/dbraw/zinc/38/89/00/638388900.db2.gz GWYASJWYNXXRFK-QGZVFWFLSA-N 0 0 308.337 2.187 10 30 DEEERN C=CCCCOC(=O)C1CCN(C(=O)c2cccnc2)CC1 ZINC000747140594 638410714 /nfs/dbraw/zinc/41/07/14/638410714.db2.gz VZKGUCQOCLSHMM-UHFFFAOYSA-N 0 0 302.374 2.443 10 30 DEEERN CCN(C[C@@H]1CCOC1)C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747432656 638437392 /nfs/dbraw/zinc/43/73/92/638437392.db2.gz QDOBTWLHJAFDLP-AWEZNQCLSA-N 0 0 317.389 2.135 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C)[C@@H](C)C1 ZINC000748347720 638544160 /nfs/dbraw/zinc/54/41/60/638544160.db2.gz FTGDZSDXNSVSGP-YOEHRIQHSA-N 0 0 315.417 2.124 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000320292341 638601347 /nfs/dbraw/zinc/60/13/47/638601347.db2.gz QIFQBNQVRAMNLP-YXVBKTCISA-N 0 0 301.795 2.167 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)Cc1cccc(C#N)c1 ZINC000749325668 638635413 /nfs/dbraw/zinc/63/54/13/638635413.db2.gz ZPEYYFISNIEEMN-UHFFFAOYSA-N 0 0 317.348 2.102 10 30 DEEERN CNC(=O)c1cc(C)ccc1NC(=O)Cc1cccc(C#N)c1 ZINC000749400834 638644340 /nfs/dbraw/zinc/64/43/40/638644340.db2.gz RPCDHISWOIHLGT-UHFFFAOYSA-N 0 0 307.353 2.408 10 30 DEEERN C=C(Cl)CNS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000749934433 638693313 /nfs/dbraw/zinc/69/33/13/638693313.db2.gz REZVJZUFZNTQLG-UHFFFAOYSA-N 0 0 324.185 2.157 10 30 DEEERN N#Cc1cccc(CC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000750431722 638744126 /nfs/dbraw/zinc/74/41/26/638744126.db2.gz XGYGQTSPCWWTHJ-UHFFFAOYSA-N 0 0 324.292 2.435 10 30 DEEERN C=C(C)CN(CC)C(=O)COC(=O)Cc1cccc(C#N)c1 ZINC000750432627 638745005 /nfs/dbraw/zinc/74/50/05/638745005.db2.gz IVZZQZIKUUNIMQ-UHFFFAOYSA-N 0 0 300.358 2.069 10 30 DEEERN C=CCCOCC(=O)OCc1ccc(OC2CCOCC2)nc1 ZINC000752529989 639193398 /nfs/dbraw/zinc/19/33/98/639193398.db2.gz IMLBQVVRIBYJMT-UHFFFAOYSA-N 0 0 321.373 2.275 10 30 DEEERN N#Cc1ccc(C(=O)N2CC(=O)Nc3ccccc32)nc1Cl ZINC000752994739 639245636 /nfs/dbraw/zinc/24/56/36/639245636.db2.gz HIDLMGFHVJYBMU-UHFFFAOYSA-N 0 0 312.716 2.206 10 30 DEEERN C#CCCCS(=O)(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000805029424 639252101 /nfs/dbraw/zinc/25/21/01/639252101.db2.gz PPABYADZFHRFEQ-CQSZACIVSA-N 0 0 310.375 2.379 10 30 DEEERN C#CCCNC(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000805112193 639755688 /nfs/dbraw/zinc/75/56/88/639755688.db2.gz HJMZHMPKSVBITH-LBPRGKRZSA-N 0 0 300.280 2.061 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(C)(C)C ZINC000805147001 639840686 /nfs/dbraw/zinc/84/06/86/639840686.db2.gz HASSNMLQFOXCAI-CYBMUJFWSA-N 0 0 310.375 2.229 10 30 DEEERN C=CCNC(=O)[C@@H](C#N)C(=O)Cc1c[nH]c2c1cccc2CC ZINC000109413239 639976452 /nfs/dbraw/zinc/97/64/52/639976452.db2.gz ZMWOILPKHKMHCJ-HNNXBMFYSA-N 0 0 309.369 2.284 10 30 DEEERN COc1cccc([C@@H](C#N)NC(=O)CCOCC(C)C)c1OC ZINC000729431898 640743668 /nfs/dbraw/zinc/74/36/68/640743668.db2.gz CFRJQQWBULYCKB-CQSZACIVSA-N 0 0 320.389 2.447 10 30 DEEERN CSCC[C@@H]1NC(=S)N(Cc2ccc(C#N)cc2F)C1=O ZINC000729855338 640847488 /nfs/dbraw/zinc/84/74/88/640847488.db2.gz QYJMPNHKFHPAPX-LBPRGKRZSA-N 0 0 323.418 2.036 10 30 DEEERN N#CCCCCCC(=O)OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000805698539 642783542 /nfs/dbraw/zinc/78/35/42/642783542.db2.gz TXMCFTZYQOFNJE-UHFFFAOYSA-N 0 0 318.329 2.371 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCCOC[C@H]1C ZINC000805786414 643267198 /nfs/dbraw/zinc/26/71/98/643267198.db2.gz QVAAVPISXNOJPY-NVXWUHKLSA-N 0 0 300.402 2.441 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)NCCC2(F)CCC2)c1 ZINC000806043918 644382463 /nfs/dbraw/zinc/38/24/63/644382463.db2.gz SZCMKZLOUVPLNV-UHFFFAOYSA-N 0 0 317.364 2.188 10 30 DEEERN CC#CC(=O)N1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000801177035 645348687 /nfs/dbraw/zinc/34/86/87/645348687.db2.gz CWGUYDIVCYWKGI-CRAIPNDOSA-N 0 0 313.445 2.472 10 30 DEEERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCCO[C@H](C)C#N ZINC000801855224 645451279 /nfs/dbraw/zinc/45/12/79/645451279.db2.gz CEBACWSZNVDVPM-LMMOQWNQSA-N 0 0 304.302 2.470 10 30 DEEERN C#CCCCCCC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000802240527 645507248 /nfs/dbraw/zinc/50/72/48/645507248.db2.gz SRJMJELUNRNMOO-RDJZCZTQSA-N 0 0 307.434 2.254 10 30 DEEERN C=C[C@](C)(CC)COC(=O)[C@H]1COCCN1CC(F)(F)F ZINC000802796636 645560803 /nfs/dbraw/zinc/56/08/03/645560803.db2.gz ITFVTLDOJMNHAE-DGCLKSJQSA-N 0 0 309.328 2.395 10 30 DEEERN N#CC1(COC(=O)[C@H]2CCCN2c2ncnc3ccccc32)CC1 ZINC000802993142 645593436 /nfs/dbraw/zinc/59/34/36/645593436.db2.gz ZFEWTMNAWSTXGO-OAHLLOKOSA-N 0 0 322.368 2.446 10 30 DEEERN C=C(C)CCOC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000803363338 645640347 /nfs/dbraw/zinc/64/03/47/645640347.db2.gz JTHOLDGOBWTJHK-AWEZNQCLSA-N 0 0 301.342 2.015 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000803700426 645682368 /nfs/dbraw/zinc/68/23/68/645682368.db2.gz PCGDUVMDDQWZIS-OAHLLOKOSA-N 0 0 323.392 2.166 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N(C1CC1)C1CCCC1 ZINC000803700234 645682480 /nfs/dbraw/zinc/68/24/80/645682480.db2.gz HMKIDLCXVHSZEE-UHFFFAOYSA-N 0 0 301.386 2.126 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000803700544 645682760 /nfs/dbraw/zinc/68/27/60/645682760.db2.gz VBRWYKODTTZTHL-GDBMZVCRSA-N 0 0 303.402 2.230 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N(C)CC1CCCCC1 ZINC000803701378 645682805 /nfs/dbraw/zinc/68/28/05/645682805.db2.gz QXXLNOQPCBKRPG-UHFFFAOYSA-N 0 0 303.402 2.231 10 30 DEEERN CC(=O)[C@H](Cc1ccccc1F)OC(=O)c1cc(C#N)ccn1 ZINC000803850318 645704850 /nfs/dbraw/zinc/70/48/50/645704850.db2.gz GWZIQCSDDIZXOC-INIZCTEOSA-N 0 0 312.300 2.449 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(N)=O)s1 ZINC000804459808 645775078 /nfs/dbraw/zinc/77/50/78/645775078.db2.gz QENWNCZNRDTSDV-ZDUSSCGKSA-N 0 0 312.394 2.211 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1nnc2ccccn21 ZINC000806260390 645812006 /nfs/dbraw/zinc/81/20/06/645812006.db2.gz LNKCPSJPMITOLC-HNNXBMFYSA-N 0 0 319.368 2.485 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)Cc1ccc(C)nc1Cl ZINC000807159559 645917555 /nfs/dbraw/zinc/91/75/55/645917555.db2.gz KXMMFGZTTYGAPN-UHFFFAOYSA-N 0 0 310.781 2.164 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1 ZINC000807195213 645922474 /nfs/dbraw/zinc/92/24/74/645922474.db2.gz ACNHOTMMBKLVEA-UHFFFAOYSA-N 0 0 310.332 2.136 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC(C)(COC)C1 ZINC000807469350 645954190 /nfs/dbraw/zinc/95/41/90/645954190.db2.gz DWWQFZNJTKRSQY-MRXNPFEDSA-N 0 0 300.402 2.299 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@H]1C[C@@H](OC)C1 ZINC000807466920 645954719 /nfs/dbraw/zinc/95/47/19/645954719.db2.gz HIGZASVZUCNVGI-YESZJQIVSA-N 0 0 300.402 2.440 10 30 DEEERN C#CCN(C(=O)[C@H](C)n1nnc(-c2ccccc2)n1)C1CCCC1 ZINC000163926780 646406422 /nfs/dbraw/zinc/40/64/22/646406422.db2.gz VABLTSPPNGSTCO-AWEZNQCLSA-N 0 0 323.400 2.306 10 30 DEEERN C=CCn1cnc2oc(C)c(C(=O)N3CCC(C)CC3)c2c1=O ZINC000222768500 646465416 /nfs/dbraw/zinc/46/54/16/646465416.db2.gz RTNRCPAHBANZEA-UHFFFAOYSA-N 0 0 315.373 2.356 10 30 DEEERN C#CCSCCNC(=O)Nc1ccc(-c2ncon2)cc1 ZINC000172446344 646737662 /nfs/dbraw/zinc/73/76/62/646737662.db2.gz NTKYBLWOOOWBRQ-UHFFFAOYSA-N 0 0 302.359 2.225 10 30 DEEERN C#C[C@@H](C)OC(=O)/C=C/c1ccc(I)o1 ZINC000174465085 646812032 /nfs/dbraw/zinc/81/20/32/646812032.db2.gz FIHFEVDCVLZJNX-WVXIBAHESA-N 0 0 316.094 2.462 10 30 DEEERN C#CCNC(=O)[C@H](C)OC(=O)c1sccc1SC(F)F ZINC000730661024 647378975 /nfs/dbraw/zinc/37/89/75/647378975.db2.gz QRHLBSZDLAPYOV-ZETCQYMHSA-N 0 0 319.354 2.358 10 30 DEEERN CC(=O)N1CCC(C(=O)OC[C@@H](C#N)Cc2cccs2)CC1 ZINC000153288540 647404968 /nfs/dbraw/zinc/40/49/68/647404968.db2.gz HFLHDNQWQQSVLM-CYBMUJFWSA-N 0 0 320.414 2.232 10 30 DEEERN CCOC(=O)c1cn(CN(CC)CCC#N)nc1C(F)(F)F ZINC000731495060 647486091 /nfs/dbraw/zinc/48/60/91/647486091.db2.gz SKKMMAQXDAYTSH-UHFFFAOYSA-N 0 0 318.299 2.272 10 30 DEEERN C=CCN(C(=O)N[C@H]1CCN(c2ccccc2)C1=O)C(C)C ZINC000731762598 647506871 /nfs/dbraw/zinc/50/68/71/647506871.db2.gz FZALUTCWQLYPNF-HNNXBMFYSA-N 0 0 301.390 2.398 10 30 DEEERN C/C(=C/C(=O)NC1CCN(CC#N)CC1)c1cccc(F)c1 ZINC000731990608 647532440 /nfs/dbraw/zinc/53/24/40/647532440.db2.gz HGLNJBAENNTIMX-QBFSEMIESA-N 0 0 301.365 2.333 10 30 DEEERN C#CCOc1ccc(C(=O)N2CCOC[C@@H]2C(F)(F)F)cc1 ZINC000741569746 647547034 /nfs/dbraw/zinc/54/70/34/647547034.db2.gz GRLRNJCELNEFEV-CYBMUJFWSA-N 0 0 313.275 2.102 10 30 DEEERN C[C@@H](OC(=O)[C@@H](C)Cc1ccccc1)C(=O)N(C)CCC#N ZINC000732584341 647627029 /nfs/dbraw/zinc/62/70/29/647627029.db2.gz SHMDVBDMZKBCPL-UONOGXRCSA-N 0 0 302.374 2.169 10 30 DEEERN C[C@H](C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1F ZINC000732650578 647635707 /nfs/dbraw/zinc/63/57/07/647635707.db2.gz XUTXHIQYKNNIHW-JSGCOSHPSA-N 0 0 301.365 2.128 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@H]2CCCc3occc32)CCN1C1CC1 ZINC000732677240 647640457 /nfs/dbraw/zinc/64/04/57/647640457.db2.gz URLPYABSQFDAAW-HIFRSBDPSA-N 0 0 314.389 2.039 10 30 DEEERN CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000153856415 647838408 /nfs/dbraw/zinc/83/84/08/647838408.db2.gz BZUWLJOEIRQMBK-BBRMVZONSA-N 0 0 301.390 2.078 10 30 DEEERN N#Cc1cc(C#N)c(SCOC(=O)c2ccccc2)nc1N ZINC000154324686 647982232 /nfs/dbraw/zinc/98/22/32/647982232.db2.gz WYPMPAAMQMBPBU-UHFFFAOYSA-N 0 0 310.338 2.314 10 30 DEEERN COc1ccc([C@@H](CC(=O)OCC(C)(C)C#N)NC(C)=O)cc1 ZINC000180152374 648465284 /nfs/dbraw/zinc/46/52/84/648465284.db2.gz JTAMGLQHPNKRAN-OAHLLOKOSA-N 0 0 318.373 2.355 10 30 DEEERN C#CCC(C)(C)COC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000180357679 648487662 /nfs/dbraw/zinc/48/76/62/648487662.db2.gz IHRCKCLDWXWAKW-UHFFFAOYSA-N 0 0 308.399 2.438 10 30 DEEERN CC#CCCCCOC(=O)CCc1nc(-c2ncccn2)no1 ZINC000183955489 649209353 /nfs/dbraw/zinc/20/93/53/649209353.db2.gz KKNSZEPIDSUFDN-UHFFFAOYSA-N 0 0 314.345 2.196 10 30 DEEERN C#CCCNC(=O)c1ccccc1SCC(=O)NC(C)C ZINC000733246957 649463329 /nfs/dbraw/zinc/46/33/29/649463329.db2.gz GRMAOVWGSBEUFF-UHFFFAOYSA-N 0 0 304.415 2.056 10 30 DEEERN C#CCOC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000072635715 649471681 /nfs/dbraw/zinc/47/16/81/649471681.db2.gz RKRZRIPZSBISNY-DZPQGLOJSA-N 0 0 315.413 2.370 10 30 DEEERN C#C[C@H](C)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000185300416 649491243 /nfs/dbraw/zinc/49/12/43/649491243.db2.gz QMDDZWJOONROPE-LBPRGKRZSA-N 0 0 302.374 2.463 10 30 DEEERN C#CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000733287360 649536034 /nfs/dbraw/zinc/53/60/34/649536034.db2.gz DLACDCDUJCTTIT-SFHVURJKSA-N 0 0 320.392 2.167 10 30 DEEERN C#CCN(CC#C)CC(=O)N[C@H](CC)c1ccccc1OCC ZINC000072906353 649537799 /nfs/dbraw/zinc/53/77/99/649537799.db2.gz BRCSDDYZQLCUHH-QGZVFWFLSA-N 0 0 312.413 2.221 10 30 DEEERN C#CCCNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000733356275 649553777 /nfs/dbraw/zinc/55/37/77/649553777.db2.gz IJXHCVOPTPAJKS-LBPRGKRZSA-N 0 0 301.173 2.349 10 30 DEEERN N#Cc1ccc(COC(=O)c2cccc(-n3cncn3)c2)cc1 ZINC000115736330 652219722 /nfs/dbraw/zinc/21/97/22/652219722.db2.gz DWDCIVHMBJDWBP-UHFFFAOYSA-N 0 0 304.309 2.496 10 30 DEEERN C=CC(C)(C)CNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000384918222 685412768 /nfs/dbraw/zinc/41/27/68/685412768.db2.gz FYJMDTHSDKVYMN-UHFFFAOYSA-N 0 0 313.810 2.478 10 30 DEEERN Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1cc(C#N)cn1C ZINC000081016012 683987052 /nfs/dbraw/zinc/98/70/52/683987052.db2.gz CBBRIWJDPCOHNJ-UHFFFAOYSA-N 0 0 311.341 2.126 10 30 DEEERN C[C@H](C#N)CNC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000081791420 683994071 /nfs/dbraw/zinc/99/40/71/683994071.db2.gz PENNBCCIAXKWEX-CQSZACIVSA-N 0 0 321.380 2.359 10 30 DEEERN C#C[C@@H](OC(=O)C1CCN(C(=O)c2ccccc2)CC1)C1CC1 ZINC000089491125 684023693 /nfs/dbraw/zinc/02/36/93/684023693.db2.gz YAXURTDKMUNDAS-QGZVFWFLSA-N 0 0 311.381 2.494 10 30 DEEERN CC#CCOC(=O)CSc1nncn1-c1ccccc1CC ZINC000091112355 684034643 /nfs/dbraw/zinc/03/46/43/684034643.db2.gz YKTLLEJTBFVQJG-UHFFFAOYSA-N 0 0 315.398 2.488 10 30 DEEERN C=CCCOC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000116594096 684065613 /nfs/dbraw/zinc/06/56/13/684065613.db2.gz XQBTVPCIQUOHOD-GDBMZVCRSA-N 0 0 303.358 2.334 10 30 DEEERN C#CCOc1ccc(NC(=O)N2CCC([C@@H](C)O)CC2)cc1 ZINC000117456449 684068944 /nfs/dbraw/zinc/06/89/44/684068944.db2.gz SPMHADLYRNSSRD-CYBMUJFWSA-N 0 0 302.374 2.323 10 30 DEEERN C#CCOc1ccc(NC(=O)C(=O)N(C)CCCC=C)cc1 ZINC000130588175 684190815 /nfs/dbraw/zinc/19/08/15/684190815.db2.gz YQNHSWSWLAVQNP-UHFFFAOYSA-N 0 0 300.358 2.062 10 30 DEEERN C=C[C@@H](CC(=O)OCCn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000131745932 684202404 /nfs/dbraw/zinc/20/24/04/684202404.db2.gz YIXAUTUMWKBIBY-LBPRGKRZSA-N 0 0 316.317 2.089 10 30 DEEERN COC[C@H](OC(=O)CCc1c(C)nn(CCC#N)c1C)C1CC1 ZINC000131895351 684203131 /nfs/dbraw/zinc/20/31/31/684203131.db2.gz OIDWICDIKYBENP-INIZCTEOSA-N 0 0 319.405 2.314 10 30 DEEERN N#C[C@H](C(=O)Cc1ccc2c(c1)CCC2)C(=O)Nc1ccccn1 ZINC000138956996 684248955 /nfs/dbraw/zinc/24/89/55/684248955.db2.gz VJWRTKNSXLSSPC-MRXNPFEDSA-N 0 0 319.364 2.460 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)c1ccsc1 ZINC000155558172 684275736 /nfs/dbraw/zinc/27/57/36/684275736.db2.gz RZVJKPLVRDGHSM-RISCZKNCSA-N 0 0 316.382 2.237 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)Cc1cnc2ccccc2c1 ZINC000190313953 684401694 /nfs/dbraw/zinc/40/16/94/684401694.db2.gz PYDXFXGHBXCBNP-UHFFFAOYSA-N 0 0 312.369 2.355 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCOC[C@@H]1C ZINC000193897316 685052059 /nfs/dbraw/zinc/05/20/59/685052059.db2.gz VHLKPDACYMIJBH-QWHCGFSZSA-N 0 0 302.374 2.214 10 30 DEEERN COc1cccc([C@@H]2C[C@@H]2C(=O)[C@@H](C#N)C(=O)NC(C)C)c1 ZINC000246390842 685129083 /nfs/dbraw/zinc/12/90/83/685129083.db2.gz VQPSXFAQDAQQMK-SOUVJXGZSA-N 0 0 300.358 2.032 10 30 DEEERN CON=Cc1ccc(C(=O)NCc2ccc(CO)c(F)c2)cc1 ZINC000255322585 685199088 /nfs/dbraw/zinc/19/90/88/685199088.db2.gz REBOSQVTSLNWEY-UHFFFAOYSA-N 0 0 316.332 2.228 10 30 DEEERN COc1cccc(C#CCOC(=O)[C@H](C)OC[C@@H]2CCCO2)c1 ZINC000176596601 782727433 /nfs/dbraw/zinc/72/74/33/782727433.db2.gz CCBZACMZPCGSPW-YOEHRIQHSA-N 0 0 318.369 2.174 10 30 DEEERN Cc1nnc(N2CCS[C@@H](C(F)(F)F)C2)c(C#N)c1C ZINC000721429618 776827576 /nfs/dbraw/zinc/82/75/76/776827576.db2.gz XRVOVWFFBSJXDN-SNVBAGLBSA-N 0 0 302.325 2.449 10 30 DEEERN CO[C@@H]1CC[C@H]1N(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000724118827 777246106 /nfs/dbraw/zinc/24/61/06/777246106.db2.gz CGCMQMBJXOMSQG-CHWSQXEVSA-N 0 0 314.794 2.010 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000588482979 777253344 /nfs/dbraw/zinc/25/33/44/777253344.db2.gz WIOSBVHSIAGXLB-MEJMFZKBSA-N 0 0 301.795 2.167 10 30 DEEERN C#CC[C@@H](COC)Nc1ccc(I)cn1 ZINC000716398556 777272846 /nfs/dbraw/zinc/27/28/46/777272846.db2.gz LLYOQGBIEMHVOV-JTQLQIEISA-N 0 0 316.142 2.136 10 30 DEEERN C=C1CCC(CNC(=O)c2c(Br)nnn2C)CC1 ZINC000724458775 777311917 /nfs/dbraw/zinc/31/19/17/777311917.db2.gz TWZFZJRVBFGTFA-UHFFFAOYSA-N 0 0 313.199 2.054 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@H]1CNCc1nc(C#N)cs1 ZINC000724982320 777549000 /nfs/dbraw/zinc/54/90/00/777549000.db2.gz NHICFIQDUSMAPM-NSHDSACASA-N 0 0 308.407 2.114 10 30 DEEERN C=CCCOC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 ZINC000729073410 778926002 /nfs/dbraw/zinc/92/60/02/778926002.db2.gz XTFHVATUTJXZSA-LBPRGKRZSA-N 0 0 319.357 2.176 10 30 DEEERN C=C(COC(=O)[C@@H](O)[C@H](C)c1ccc(C)cc1)C(=O)OCC ZINC000745754431 784752232 /nfs/dbraw/zinc/75/22/32/784752232.db2.gz VXUKOQMCRZMBBQ-HIFRSBDPSA-N 0 0 306.358 2.122 10 30 DEEERN C#CC[C@H](CO)NC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000717705014 799428367 /nfs/dbraw/zinc/42/83/67/799428367.db2.gz XJLKEAJKGWQXQP-SMDDNHRTSA-N 0 0 324.218 2.443 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000316938978 802529698 /nfs/dbraw/zinc/52/96/98/802529698.db2.gz XZBPFZORNFZZPB-CQSZACIVSA-N 0 0 323.776 2.221 10 30 DEEERN Cc1ccnc(NCc2cn(C)nc2Br)c1C#N ZINC000720673033 1085843135 /nfs/dbraw/zinc/84/31/35/1085843135.db2.gz QGELLSZPTLIRKN-UHFFFAOYSA-N 0 0 306.167 2.370 10 30 DEEERN N#Cc1cc(S(=O)(=O)NCC[C@@H]2CCSC2)ccc1F ZINC000704787599 1086591265 /nfs/dbraw/zinc/59/12/65/1086591265.db2.gz QJLBKALJJAJQSV-SNVBAGLBSA-N 0 0 314.407 2.119 10 30 DEEERN N#Cc1ccc(C(F)(F)F)nc1N1CC[C@H](C2OCCO2)C1 ZINC000718988590 1088747442 /nfs/dbraw/zinc/74/74/42/1088747442.db2.gz NDTACKLCFLTQMG-JTQLQIEISA-N 0 0 313.279 2.171 10 30 DEEERN C[C@@H]1CCSCCN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000719973408 1089423317 /nfs/dbraw/zinc/42/33/17/1089423317.db2.gz PRVBDSUQKBCSEC-SNVBAGLBSA-N 0 0 314.407 2.213 10 30 DEEERN COc1csc(C(=O)NCc2ccc(C#CCO)s2)c1 ZINC000162167241 197548868 /nfs/dbraw/zinc/54/88/68/197548868.db2.gz FMEOLUQXSXPJBJ-UHFFFAOYSA-N 0 0 307.396 2.092 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000076854233 185047012 /nfs/dbraw/zinc/04/70/12/185047012.db2.gz WSUBONFWVIFLPL-UHFFFAOYSA-N 0 0 302.327 2.321 10 30 DEEERN C=C(C)Cn1c(N2CCO[C@@](C)(COC)C2)nnc1C(C)(C)C ZINC000624965733 365601835 /nfs/dbraw/zinc/60/18/35/365601835.db2.gz FTZDWUINEAYRKZ-QGZVFWFLSA-N 0 0 322.453 2.393 10 30 DEEERN C=CCCCN(C)C(=O)Cn1cc(Br)ccc1=O ZINC000078827878 185116781 /nfs/dbraw/zinc/11/67/81/185116781.db2.gz YANSQROLPYKYPX-UHFFFAOYSA-N 0 0 313.195 2.035 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000612604847 361872321 /nfs/dbraw/zinc/87/23/21/361872321.db2.gz XNYURUFUVNYXNB-HUUCEWRRSA-N 0 0 308.422 2.065 10 30 DEEERN C=CC1CCN(c2nnc([C@H]3COCCO3)n2CC2CC2)CC1 ZINC000612887546 361941201 /nfs/dbraw/zinc/94/12/01/361941201.db2.gz PWHVHHJVLPCTTC-OAHLLOKOSA-N 0 0 318.421 2.178 10 30 DEEERN N#Cc1ccc(F)c(CS(=O)(=O)c2ccc(F)cc2N)c1 ZINC000165490073 197676547 /nfs/dbraw/zinc/67/65/47/197676547.db2.gz HETCXWNPLXYNAI-UHFFFAOYSA-N 0 0 308.309 2.393 10 30 DEEERN Cc1cc(C#N)cc(C)c1OC[C@@H](CS(N)(=O)=O)C(C)C ZINC000088163557 185240720 /nfs/dbraw/zinc/24/07/20/185240720.db2.gz QTBITOFXSOTCMK-AWEZNQCLSA-N 0 0 310.419 2.115 10 30 DEEERN Cc1ccnc(Cl)c1NS(=O)(=O)c1ccc(C#N)cc1N ZINC000088188791 185241269 /nfs/dbraw/zinc/24/12/69/185241269.db2.gz FOPRSXAMZPIBOA-UHFFFAOYSA-N 0 0 322.777 2.298 10 30 DEEERN CC[C@H](C#N)NC(=O)c1cnccc1NC(=O)OC(C)(C)C ZINC000189303388 529586542 /nfs/dbraw/zinc/58/65/42/529586542.db2.gz ZXDWPJAHHRKXPX-SNVBAGLBSA-N 0 0 304.350 2.461 10 30 DEEERN Cc1nc(CNC(=O)c2cccc(C#CCO)c2C)cs1 ZINC000088443271 185250950 /nfs/dbraw/zinc/25/09/50/185250950.db2.gz RYYIQXIXVBTKQU-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN C[C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(C#N)cc1N ZINC000088507337 185254495 /nfs/dbraw/zinc/25/44/95/185254495.db2.gz JXPAGTKSYNMHNZ-BXUZGUMPSA-N 0 0 307.419 2.388 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)CCOCC(F)(F)F ZINC000625328497 365731050 /nfs/dbraw/zinc/73/10/50/365731050.db2.gz VDTCLHFTGGKRDR-UHFFFAOYSA-N 0 0 303.346 2.087 10 30 DEEERN CCS(=O)(=O)NCC#CCOc1cccc2ccccc21 ZINC000090733073 185311533 /nfs/dbraw/zinc/31/15/33/185311533.db2.gz YHLFLPCJGCBFPB-UHFFFAOYSA-N 0 0 303.383 2.161 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000625327066 365731809 /nfs/dbraw/zinc/73/18/09/365731809.db2.gz BIHWPQCMPCNATB-UHFFFAOYSA-N 0 0 307.366 2.029 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cnc3onc(CC)c3c2)C1 ZINC000625356020 365745451 /nfs/dbraw/zinc/74/54/51/365745451.db2.gz YJHLBXZDKMAMLY-NSHDSACASA-N 0 0 321.402 2.372 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@@H]1c1ccccn1 ZINC000625400538 365764344 /nfs/dbraw/zinc/76/43/44/365764344.db2.gz NSIXKMFPBDYVAB-OAHLLOKOSA-N 0 0 315.417 2.464 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000278187209 214011624 /nfs/dbraw/zinc/01/16/24/214011624.db2.gz FUZVIWJMSCEOHM-IAGOWNOFSA-N 0 0 318.392 2.456 10 30 DEEERN C=CC1CCN(C(=O)C2(c3cc(C)no3)CCOCC2)CC1 ZINC000625464414 365796507 /nfs/dbraw/zinc/79/65/07/365796507.db2.gz FNGZUQSSCAZIRU-UHFFFAOYSA-N 0 0 304.390 2.456 10 30 DEEERN C=CCN1c2ccccc2[C@]2(NC(=O)c3ccc(F)cc3N2)C1=O ZINC000614432308 362380125 /nfs/dbraw/zinc/38/01/25/362380125.db2.gz RNGLOLBNAPCLKK-SFHVURJKSA-N 0 0 323.327 2.367 10 30 DEEERN C=CCOC(=O)N1CCN(c2nc3ccccc3nc2C)CC1 ZINC000170501604 197778044 /nfs/dbraw/zinc/77/80/44/197778044.db2.gz GHMUXEUQVTZIPX-UHFFFAOYSA-N 0 0 312.373 2.383 10 30 DEEERN N#Cc1cnn(-c2ccccn2)c1NC(=O)Cc1ccc(F)cc1 ZINC000170525873 197779019 /nfs/dbraw/zinc/77/90/19/197779019.db2.gz YBOYFOZRSDVVEW-UHFFFAOYSA-N 0 0 321.315 2.459 10 30 DEEERN C=C[C@@](C)(O)C(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000614521760 362401305 /nfs/dbraw/zinc/40/13/05/362401305.db2.gz RWWQXJTWOVUACU-GOSISDBHSA-N 0 0 318.392 2.116 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(OC(F)F)nc1 ZINC000614560977 362407955 /nfs/dbraw/zinc/40/79/55/362407955.db2.gz KBNSTCMIRDYKIU-LLVKDONJSA-N 0 0 313.304 2.092 10 30 DEEERN CNS(=O)(=O)c1ccc2c(c1)CCN2CC(C)(C)CCC#N ZINC000191551895 530033492 /nfs/dbraw/zinc/03/34/92/530033492.db2.gz MXNUYBVTZJJTLR-UHFFFAOYSA-N 0 0 321.446 2.287 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(F)(c2ccccc2F)C1 ZINC000615187185 362554070 /nfs/dbraw/zinc/55/40/70/362554070.db2.gz ORARWVQUBGLIGN-HNNXBMFYSA-N 0 0 322.355 2.304 10 30 DEEERN CC(=O)c1cccc(CNC(=O)CC2(C#N)CCOCC2)c1 ZINC000615121344 362538130 /nfs/dbraw/zinc/53/81/30/362538130.db2.gz HDYUBDAGEAEZPW-UHFFFAOYSA-N 0 0 300.358 2.216 10 30 DEEERN Cc1noc([C@@H]2COCCN2CC#Cc2cccc(Cl)c2)n1 ZINC000160969610 282410615 /nfs/dbraw/zinc/41/06/15/282410615.db2.gz CXAPGTOCUYHOJC-HNNXBMFYSA-N 0 0 317.776 2.456 10 30 DEEERN COc1ccc(Cl)cc1CNC(=O)N1CC[C@](F)(C#N)C1 ZINC000615532106 362629771 /nfs/dbraw/zinc/62/97/71/362629771.db2.gz YESIESOXONITKL-AWEZNQCLSA-N 0 0 311.744 2.496 10 30 DEEERN C=CCOCCNC(=O)Nc1ncccc1OCCCC#N ZINC000615556933 362639816 /nfs/dbraw/zinc/63/98/16/362639816.db2.gz STLGBJXHWHTEAJ-UHFFFAOYSA-N 0 0 304.350 2.088 10 30 DEEERN C[C@H](C#N)N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000111334305 185583771 /nfs/dbraw/zinc/58/37/71/185583771.db2.gz APKOVOMOUUDDMJ-LLVKDONJSA-N 0 0 308.769 2.278 10 30 DEEERN CCOC1CCN(C(=O)c2sccc2C#CCCO)CC1 ZINC000111532844 185611339 /nfs/dbraw/zinc/61/13/39/185611339.db2.gz ZWCUVWUDJNFSOX-UHFFFAOYSA-N 0 0 307.415 2.123 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000615708976 362685717 /nfs/dbraw/zinc/68/57/17/362685717.db2.gz TUFUEHGEUYUNNZ-OCABDXPQSA-N 0 0 302.418 2.128 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)NCC[C@@H]1CCCOC1 ZINC000625509365 365810674 /nfs/dbraw/zinc/81/06/74/365810674.db2.gz PSFMLSDLYHGUSH-HNNXBMFYSA-N 0 0 310.438 2.124 10 30 DEEERN Cc1nn(-c2ccccc2)c(Cn2cnc(C)c(C)c2=O)c1C#N ZINC000616219385 362799304 /nfs/dbraw/zinc/79/93/04/362799304.db2.gz SOUNOYAGQVKLHV-UHFFFAOYSA-N 0 0 319.368 2.274 10 30 DEEERN Cc1nnc(NC(=O)c2ccc(C)c(C#CCCO)c2)s1 ZINC000123702350 185834368 /nfs/dbraw/zinc/83/43/68/185834368.db2.gz QCCSTLPGLPCOHB-UHFFFAOYSA-N 0 0 301.371 2.141 10 30 DEEERN Cc1nnc(SCCC(=O)Nc2ccccc2C#N)n1C ZINC000070139650 190862231 /nfs/dbraw/zinc/86/22/31/190862231.db2.gz IPZSNBSLGLGDOL-UHFFFAOYSA-N 0 0 301.375 2.116 10 30 DEEERN CCOC(=O)c1c(I)cccc1C#N ZINC000616578514 362893254 /nfs/dbraw/zinc/89/32/54/362893254.db2.gz UTCSPAIDCJFNMY-UHFFFAOYSA-N 0 0 301.083 2.340 10 30 DEEERN CS(=O)(=O)N1C[C@H](c2ccccc2C#N)Nc2ccccc21 ZINC000616692978 362911124 /nfs/dbraw/zinc/91/11/24/362911124.db2.gz ZAOODWWADFCHFU-OAHLLOKOSA-N 0 0 313.382 2.491 10 30 DEEERN C[C@@H](NC(=O)[C@@H]1CCSC1)c1ccc(C#CCCO)cc1 ZINC000070437985 190892354 /nfs/dbraw/zinc/89/23/54/190892354.db2.gz GMKBCPSOFNVFTJ-CZUORRHYSA-N 0 0 303.427 2.351 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCOc2ccc(OCC)cc21 ZINC000185897190 539673517 /nfs/dbraw/zinc/67/35/17/539673517.db2.gz APXMYXDENYAMEH-DOMZBBRYSA-N 0 0 320.389 2.145 10 30 DEEERN Cn1cc(C#N)cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C ZINC000083763240 192381648 /nfs/dbraw/zinc/38/16/48/192381648.db2.gz LGHVSEXXMOXMMP-GFCCVEGCSA-N 0 0 303.325 2.274 10 30 DEEERN N#C[C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000084251487 192416942 /nfs/dbraw/zinc/41/69/42/192416942.db2.gz QBKAGRFSJQFIBZ-ABAIWWIYSA-N 0 0 307.371 2.314 10 30 DEEERN C[C@@H]1[C@H](C)SCCN1C(=O)c1ccc(F)cc1C#CCO ZINC000133652204 186003362 /nfs/dbraw/zinc/00/33/62/186003362.db2.gz NYZSGBXSWCKAMI-NEPJUHHUSA-N 0 0 307.390 2.136 10 30 DEEERN C[C@@H]1SCCN(C(=O)c2cc(C#CCO)ccc2F)[C@H]1C ZINC000133648331 186002710 /nfs/dbraw/zinc/00/27/10/186002710.db2.gz DRNCWHXKMQFHQR-RYUDHWBXSA-N 0 0 307.390 2.136 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(N)cc(Br)c1 ZINC000147763040 186041277 /nfs/dbraw/zinc/04/12/77/186041277.db2.gz OYOYPCCPFURPIZ-QPUJVOFHSA-N 0 0 308.179 2.453 10 30 DEEERN O=C(NC[C@H]1CCCS1)c1ccc(C#CCCO)cc1F ZINC000155935957 186124148 /nfs/dbraw/zinc/12/41/48/186124148.db2.gz OASHYNMTQZSNIH-CYBMUJFWSA-N 0 0 307.390 2.185 10 30 DEEERN N#CCC[C@H](NC(=O)Nc1ccc(C(N)=O)nc1)c1ccccc1 ZINC000164261669 186153595 /nfs/dbraw/zinc/15/35/95/186153595.db2.gz RVFBSCMVAXWNLO-AWEZNQCLSA-N 0 0 323.356 2.347 10 30 DEEERN COc1cccc(N2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c1 ZINC000175701456 186189912 /nfs/dbraw/zinc/18/99/12/186189912.db2.gz XZNIKABPIFPECI-AWEZNQCLSA-N 0 0 324.384 2.294 10 30 DEEERN C=CCCCC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000175683825 186187532 /nfs/dbraw/zinc/18/75/32/186187532.db2.gz KRZVWYZIUUGGDJ-UHFFFAOYSA-N 0 0 304.438 2.037 10 30 DEEERN C=CCCCN(C)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000187998813 186241592 /nfs/dbraw/zinc/24/15/92/186241592.db2.gz BGBKJVYUIRPNDX-UHFFFAOYSA-N 0 0 316.405 2.496 10 30 DEEERN COC(C)(C)C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000171593826 197948357 /nfs/dbraw/zinc/94/83/57/197948357.db2.gz KGMOKBAFGGBUOC-UHFFFAOYSA-N 0 0 301.390 2.022 10 30 DEEERN C=CCCC1(CNC(=O)c2cccnc2C(N)=O)CCCC1 ZINC000617417106 363127413 /nfs/dbraw/zinc/12/74/13/363127413.db2.gz LVTXGVGNFXKOBT-UHFFFAOYSA-N 0 0 301.390 2.437 10 30 DEEERN C=CCCC1(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)CCCC1 ZINC000617416101 363127949 /nfs/dbraw/zinc/12/79/49/363127949.db2.gz BGZPAZJRONVESD-CQSZACIVSA-N 0 0 307.438 2.420 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@H](CO)[C@@H]1CCC[C@H](OC)C1)OCC ZINC000617535968 363171937 /nfs/dbraw/zinc/17/19/37/363171937.db2.gz ZJKPNQZFBOTBFV-QXSJWSMHSA-N 0 0 313.438 2.040 10 30 DEEERN O=C(NCc1ccc(CN2CCOCC2)cc1)[C@H]1CCCOC1 ZINC000328832446 539911209 /nfs/dbraw/zinc/91/12/09/539911209.db2.gz KTMWNLWVSIHHIG-KRWDZBQOSA-N 0 0 318.417 2.402 10 30 DEEERN O=C(N[C@H]1COc2ccccc2C1)N1CC2(C1)CCCOC2 ZINC000329258613 539916549 /nfs/dbraw/zinc/91/65/49/539916549.db2.gz YLRGOVXCFQTLDX-CQSZACIVSA-N 0 0 302.374 2.017 10 30 DEEERN N#CC1(c2nc([C@@H]3CN4CCCC[C@@H]4CO3)no2)CCCC1 ZINC000329707663 539926969 /nfs/dbraw/zinc/92/69/69/539926969.db2.gz KQRIYKCLJLZQIA-OLZOCXBDSA-N 0 0 302.378 2.331 10 30 DEEERN Cc1nc(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)no1 ZINC000173215419 198197422 /nfs/dbraw/zinc/19/74/22/198197422.db2.gz HNXVSJAPRGEXSJ-UHFFFAOYSA-N 0 0 302.338 2.128 10 30 DEEERN C=C(C)CN(CC)C(=O)CNC1(c2noc(CC)n2)CCCC1 ZINC000173690317 198240706 /nfs/dbraw/zinc/24/07/06/198240706.db2.gz KPZRLWYZPBOVMM-UHFFFAOYSA-N 0 0 320.437 2.416 10 30 DEEERN CC[C@H]1C(=O)N(Cc2ccc(C#N)cc2F)C(=O)N1C1CC1 ZINC000617675038 363220691 /nfs/dbraw/zinc/22/06/91/363220691.db2.gz JNFCLACZHOBXOY-AWEZNQCLSA-N 0 0 301.321 2.403 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2ccc(C)c(-n3cnnn3)c2)C1 ZINC000626262343 366128126 /nfs/dbraw/zinc/12/81/26/366128126.db2.gz GZVCVDQWEQYQGW-ZDUSSCGKSA-N 0 0 312.377 2.401 10 30 DEEERN CN(C)c1ccc(C(=O)NCCCCCCCC(=O)NO)cc1 ZINC000003872982 353992431 /nfs/dbraw/zinc/99/24/31/353992431.db2.gz NMUMGBKBHOJAQD-UHFFFAOYSA-N 0 0 321.421 2.328 10 30 DEEERN N#Cc1cccc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)c1 ZINC000044577074 354237841 /nfs/dbraw/zinc/23/78/41/354237841.db2.gz YPARKUSBXXAHHX-AWEZNQCLSA-N 0 0 307.357 2.203 10 30 DEEERN C=CCOCCNC(=O)c1cc(C)n([C@@H]2CCCOC2)c1C ZINC000626403983 366175129 /nfs/dbraw/zinc/17/51/29/366175129.db2.gz LSLPSDRGFZKQNR-OAHLLOKOSA-N 0 0 306.406 2.389 10 30 DEEERN C=CCCn1cc(CN2[C@H](C)[C@H](C(=O)OCC)CC[C@@H]2C)nn1 ZINC000595563542 358486831 /nfs/dbraw/zinc/48/68/31/358486831.db2.gz ROCXHMNOWRRADJ-SQWLQELKSA-N 0 0 320.437 2.406 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)C1 ZINC000626415877 366178809 /nfs/dbraw/zinc/17/88/09/366178809.db2.gz YFCVIVIHUYKMBN-GFCCVEGCSA-N 0 0 315.373 2.472 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2cccc(C(N)=O)c2OC)C1 ZINC000626489892 366204605 /nfs/dbraw/zinc/20/46/05/366204605.db2.gz CPNXHDFEZIAESD-LLVKDONJSA-N 0 0 303.362 2.224 10 30 DEEERN C=CCN(CC=C)C(=O)CN1C(=O)CSc2ccccc21 ZINC000060866642 354621192 /nfs/dbraw/zinc/62/11/92/354621192.db2.gz IAIANTSMZSJRBB-UHFFFAOYSA-N 0 0 302.399 2.326 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)N2CCCSCC2)c1 ZINC000067353249 354758078 /nfs/dbraw/zinc/75/80/78/354758078.db2.gz WGTFBUADFIWOGO-UHFFFAOYSA-N 0 0 320.414 2.155 10 30 DEEERN C=CCNC(=O)N[C@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000069718283 354875098 /nfs/dbraw/zinc/87/50/98/354875098.db2.gz YBNJHSYLYXKXNN-LBPRGKRZSA-N 0 0 301.350 2.314 10 30 DEEERN O=C(CCCC1CCN(C(=O)Cc2ccccc2)CC1)NO ZINC000071317706 354897538 /nfs/dbraw/zinc/89/75/38/354897538.db2.gz BTBHLVARBASTIO-UHFFFAOYSA-N 0 0 304.390 2.143 10 30 DEEERN C=CCOc1ccc(CC(=O)N2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1 ZINC000618277926 363444272 /nfs/dbraw/zinc/44/42/72/363444272.db2.gz SDLJQMQGUXMQKH-UOIKSKOESA-N 0 0 303.402 2.269 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)C1 ZINC000626588316 366235021 /nfs/dbraw/zinc/23/50/21/366235021.db2.gz QGRZNWZPVITHTM-MLGOLLRUSA-N 0 0 315.373 2.341 10 30 DEEERN Cn1c2ccc(C(=O)Nc3ccccc3C#N)cc2n(C)c1=O ZINC000074956663 191395328 /nfs/dbraw/zinc/39/53/28/191395328.db2.gz HQJBCOKVPYUTRO-UHFFFAOYSA-N 0 0 306.325 2.001 10 30 DEEERN C[C@@H](CNC(=O)N1CCO[C@@H](C#N)C1)c1ccc(F)cc1F ZINC000074886378 191379395 /nfs/dbraw/zinc/37/93/95/191379395.db2.gz FCHAOBJZJHVPLF-JQWIXIFHSA-N 0 0 309.316 2.002 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(C)C1=O ZINC000412837723 540150983 /nfs/dbraw/zinc/15/09/83/540150983.db2.gz ILLQFRYPGKUMTD-CVEARBPZSA-N 0 0 300.402 2.158 10 30 DEEERN C=CCCCN(C)C(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000135113737 355864449 /nfs/dbraw/zinc/86/44/49/355864449.db2.gz RMVMTWGNJWOZBI-UHFFFAOYSA-N 0 0 322.430 2.166 10 30 DEEERN C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000180850228 356063932 /nfs/dbraw/zinc/06/39/32/356063932.db2.gz CGLPWDNMOXNJAG-GFCCVEGCSA-N 0 0 310.419 2.069 10 30 DEEERN C=CCN(Cc1nc(COC)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000182101696 356109748 /nfs/dbraw/zinc/10/97/48/356109748.db2.gz UIWXGNZYZDYDRV-UHFFFAOYSA-N 0 0 318.333 2.312 10 30 DEEERN Cc1ccn(-c2ccccc2CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC000181351885 356077969 /nfs/dbraw/zinc/07/79/69/356077969.db2.gz QRJVSTCMOWHHFD-UHFFFAOYSA-N 0 0 305.341 2.311 10 30 DEEERN COc1c2cnn(C)c2ncc1C(=O)Nc1ccc(CC#N)cc1 ZINC000181644885 356088422 /nfs/dbraw/zinc/08/84/22/356088422.db2.gz MCGDOVUGIKMTKZ-UHFFFAOYSA-N 0 0 321.340 2.295 10 30 DEEERN N#C[C@H]1CCCN1S(=O)(=O)c1ccc(Br)s1 ZINC000079807504 191975276 /nfs/dbraw/zinc/97/52/76/191975276.db2.gz TZSGAPAMQUFFRZ-SSDOTTSWSA-N 0 0 321.221 2.187 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccccc1OC(F)(F)F ZINC000182799371 356146175 /nfs/dbraw/zinc/14/61/75/356146175.db2.gz YHPBJHWIGSAXCY-LLVKDONJSA-N 0 0 318.295 2.321 10 30 DEEERN N#C[C@]1(c2ncc(I)cn2)CCCS1 ZINC000306259838 356404044 /nfs/dbraw/zinc/40/40/44/356404044.db2.gz UEKJODRFLJBCID-VIFPVBQESA-N 0 0 317.155 2.327 10 30 DEEERN Cc1ncc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2nccs2)[nH]1 ZINC000328623589 356462557 /nfs/dbraw/zinc/46/25/57/356462557.db2.gz BYBQTNKJWFTXKM-QWRGUYRKSA-N 0 0 323.397 2.092 10 30 DEEERN Cc1nc([NH+]=C([O-])N(C)C[C@H]2CCc3nccn3C2)oc1C ZINC000328639718 356466075 /nfs/dbraw/zinc/46/60/75/356466075.db2.gz XAGBRWKZSRXQPK-GFCCVEGCSA-N 0 0 303.366 2.228 10 30 DEEERN C=CCNC(=O)Cc1noc(-c2ccn(C3CCCCC3)n2)n1 ZINC000350207150 356513941 /nfs/dbraw/zinc/51/39/41/356513941.db2.gz DVMRQGYUSXHFTO-UHFFFAOYSA-N 0 0 315.377 2.283 10 30 DEEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCc1ccc(C#N)cc1 ZINC000081579718 192296257 /nfs/dbraw/zinc/29/62/57/192296257.db2.gz YPEWRJUCHQDYRQ-OAHLLOKOSA-N 0 0 309.373 2.042 10 30 DEEERN C=CCOCCCNC(=O)C[C@H](c1nccn1C)C(F)(F)F ZINC000618526842 363517282 /nfs/dbraw/zinc/51/72/82/363517282.db2.gz ZHMIARREDHOXKL-LLVKDONJSA-N 0 0 319.327 2.165 10 30 DEEERN C=CCC1(c2nc(CC(=O)NCCCC)no2)CCOCC1 ZINC000351293355 356649258 /nfs/dbraw/zinc/64/92/58/356649258.db2.gz LCHDNLIKTUWFEP-UHFFFAOYSA-N 0 0 307.394 2.153 10 30 DEEERN C=CCCCCCNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000578140362 356768631 /nfs/dbraw/zinc/76/86/31/356768631.db2.gz HQWDGOCXGMZCPQ-GOSISDBHSA-N 0 0 300.402 2.307 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2COc3ccccc3C2=O)CCOCC1 ZINC000578436244 356816306 /nfs/dbraw/zinc/81/63/06/356816306.db2.gz ICCBMQCBUWICRZ-CQSZACIVSA-N 0 0 315.369 2.119 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CCC(C)(C)C1 ZINC000578837262 356877691 /nfs/dbraw/zinc/87/76/91/356877691.db2.gz WOZILDADDBRPOI-UHFFFAOYSA-N 0 0 315.425 2.194 10 30 DEEERN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)NCC2(C#N)CC2)C1 ZINC000580751361 357073974 /nfs/dbraw/zinc/07/39/74/357073974.db2.gz UTGUOHIQENZVAP-ZDUSSCGKSA-N 0 0 321.421 2.444 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CCC(C)C)cc1 ZINC000580801805 357082656 /nfs/dbraw/zinc/08/26/56/357082656.db2.gz YPINWSTYVODWIB-INIZCTEOSA-N 0 0 318.417 2.267 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](CC)c1c(C)nn(C)c1C ZINC000580875941 357094486 /nfs/dbraw/zinc/09/44/86/357094486.db2.gz HSOSXMFAOFHSNZ-MJBXVCDLSA-N 0 0 306.410 2.131 10 30 DEEERN C=CCCOCC(=O)N[C@H](c1nnc2ccccn21)C(C)C ZINC000586806421 357372735 /nfs/dbraw/zinc/37/27/35/357372735.db2.gz RZIDSRXYVOZHMK-HNNXBMFYSA-N 0 0 302.378 2.135 10 30 DEEERN Cc1c(S(=O)(=O)N2CC[C@](F)(C#N)C2)c2ccccc2n1C ZINC000585739114 357349801 /nfs/dbraw/zinc/34/98/01/357349801.db2.gz FKSCSYNGXDSCNB-HNNXBMFYSA-N 0 0 321.377 2.113 10 30 DEEERN COc1ccc(NC(=O)N2CC(C)(C#N)C2)c(C(F)(F)F)n1 ZINC000585801842 357360508 /nfs/dbraw/zinc/36/05/08/357360508.db2.gz HDNXKAGHBMSSGK-UHFFFAOYSA-N 0 0 314.267 2.486 10 30 DEEERN C=CC(C)(C)C(=O)NCC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000592680664 357923623 /nfs/dbraw/zinc/92/36/23/357923623.db2.gz HOIOJLBTCJNCJW-UHFFFAOYSA-N 0 0 311.422 2.453 10 30 DEEERN C=C[C@@H](C(=O)OC)N1CCN(c2cc(OC)ccc2Cl)CC1 ZINC000593038449 357993561 /nfs/dbraw/zinc/99/35/61/357993561.db2.gz YDDJBWLKMBWOJG-AWEZNQCLSA-N 0 0 324.808 2.198 10 30 DEEERN C=CCOCC(=O)N1C[C@@H](C(=O)OCC)Cc2cccc(F)c21 ZINC000593185435 358029030 /nfs/dbraw/zinc/02/90/30/358029030.db2.gz PDBGABQSCIBQIH-ZDUSSCGKSA-N 0 0 321.348 2.097 10 30 DEEERN C#CCCCCC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000179911480 199093957 /nfs/dbraw/zinc/09/39/57/199093957.db2.gz VFNOTHHCOBHHSA-SFHVURJKSA-N 0 0 314.429 2.058 10 30 DEEERN C=CCCn1cc(C(=O)N(C)[C@@H](CC)C(=O)OC(C)(C)C)nn1 ZINC000593367451 358062380 /nfs/dbraw/zinc/06/23/80/358062380.db2.gz WCNDWWCYDLSCOM-ZDUSSCGKSA-N 0 0 322.409 2.047 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCOc1ccc2ccccc2c1 ZINC000185270686 199833143 /nfs/dbraw/zinc/83/31/43/199833143.db2.gz ZNMBBFXLPKNYJC-MRXNPFEDSA-N 0 0 314.385 2.455 10 30 DEEERN C=CCCn1cc(C[S@](=O)c2ccc(NC(C)=O)cc2)nn1 ZINC000593939412 358175127 /nfs/dbraw/zinc/17/51/27/358175127.db2.gz XOHPKIAJAJQJPK-QFIPXVFZSA-N 0 0 318.402 2.120 10 30 DEEERN C=CCC1(C(=O)NC[C@H](C)C(=O)OC(C)(C)C)CCOCC1 ZINC000594111504 358207580 /nfs/dbraw/zinc/20/75/80/358207580.db2.gz KKPHVNQQBZWKFT-ZDUSSCGKSA-N 0 0 311.422 2.453 10 30 DEEERN C=CCCn1cc(CSCc2ccc(C(=O)OC)cn2)nn1 ZINC000594451216 358276008 /nfs/dbraw/zinc/27/60/08/358276008.db2.gz YWWCIYXZIOTBMQ-UHFFFAOYSA-N 0 0 318.402 2.469 10 30 DEEERN C=C[C@@](C)(O)CC(=O)Nc1cncc(C(=O)OC(C)(C)C)c1 ZINC000594386558 358254159 /nfs/dbraw/zinc/25/41/59/358254159.db2.gz XBECVIUYOUFCBJ-MRXNPFEDSA-N 0 0 306.362 2.303 10 30 DEEERN C=CCCn1cc(CS[C@H](C)C(=O)Nc2cc(C)no2)nn1 ZINC000594564951 358294808 /nfs/dbraw/zinc/29/48/08/358294808.db2.gz MMDCLXZFYOLTDM-LLVKDONJSA-N 0 0 321.406 2.411 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000594620715 358308028 /nfs/dbraw/zinc/30/80/28/358308028.db2.gz LOEFKRAQXSUKLZ-UHFFFAOYSA-N 0 0 317.364 2.176 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccnc1C#N ZINC000594790648 358337357 /nfs/dbraw/zinc/33/73/57/358337357.db2.gz VRUBMICBAGOFHD-STQMWFEESA-N 0 0 305.403 2.366 10 30 DEEERN C=CCOCCCNS(=O)(=O)c1cccc(Cl)c1C#N ZINC000594850503 358348720 /nfs/dbraw/zinc/34/87/20/358348720.db2.gz QILSDTPRGZEXOF-UHFFFAOYSA-N 0 0 314.794 2.083 10 30 DEEERN C=CCCn1cc(CN(CC(=O)OC)C2CCCCC2)nn1 ZINC000595660045 358515206 /nfs/dbraw/zinc/51/52/06/358515206.db2.gz QUMYXQWXDUVGFY-UHFFFAOYSA-N 0 0 306.410 2.162 10 30 DEEERN C=C(Cn1ccnc1[C@H](O)c1ccc(F)cc1)C(=O)OCC ZINC000276572839 212969877 /nfs/dbraw/zinc/96/98/77/212969877.db2.gz HRFBTUTYJNCLLU-CQSZACIVSA-N 0 0 304.321 2.223 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc2c(c1)CCOC2 ZINC000618836148 363613249 /nfs/dbraw/zinc/61/32/49/363613249.db2.gz IXSBTRGMNGWUGH-MRXNPFEDSA-N 0 0 302.374 2.169 10 30 DEEERN C=CCN(C(=O)NCc1ccc(CC#N)cc1)[C@H](C)COC ZINC000596640767 358730555 /nfs/dbraw/zinc/73/05/55/358730555.db2.gz IBDAUQJNAIGOFR-CQSZACIVSA-N 0 0 301.390 2.485 10 30 DEEERN C=CCOC[C@@H](NCc1cc2ccc(C)cc2[nH]1)C(=O)OC ZINC000597117968 358828696 /nfs/dbraw/zinc/82/86/96/358828696.db2.gz UVFBLUFTRUIHEL-MRXNPFEDSA-N 0 0 302.374 2.310 10 30 DEEERN C=CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CC#N)C1 ZINC000597281610 358877871 /nfs/dbraw/zinc/87/78/71/358877871.db2.gz KTIBDTPCTHKFGB-UONOGXRCSA-N 0 0 301.394 2.446 10 30 DEEERN C=CCC[C@@H](NC(=O)c1ncn2ccc(C)cc12)C(=O)OCC ZINC000597731573 358992644 /nfs/dbraw/zinc/99/26/44/358992644.db2.gz CSBZSFQOZHJENR-CYBMUJFWSA-N 0 0 315.373 2.270 10 30 DEEERN C=C[C@H](O)C(=O)N[C@@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000597822302 359015815 /nfs/dbraw/zinc/01/58/15/359015815.db2.gz OYBRAEUKDLGZHY-ZNMIVQPWSA-N 0 0 317.385 2.220 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000185831284 199892834 /nfs/dbraw/zinc/89/28/34/199892834.db2.gz LHAKAGRBNGCJJC-CQSZACIVSA-N 0 0 317.364 2.295 10 30 DEEERN C=CCCOCC(=O)N1CC[C@H](C(=O)OC)[C@H]2CCCC[C@H]21 ZINC000598168324 359112514 /nfs/dbraw/zinc/11/25/14/359112514.db2.gz OERVQXOTEDPTLX-QLFBSQMISA-N 0 0 309.406 2.159 10 30 DEEERN C=CCCSCCNC(=O)c1c(C(F)(F)F)cnn1C ZINC000597975543 359057538 /nfs/dbraw/zinc/05/75/38/359057538.db2.gz HNUGDKLNVIDVEQ-UHFFFAOYSA-N 0 0 307.341 2.478 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000185968050 199910872 /nfs/dbraw/zinc/91/08/72/199910872.db2.gz PAABTIYWSLGLHZ-ZFWWWQNUSA-N 0 0 309.431 2.491 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000185895912 199901854 /nfs/dbraw/zinc/90/18/54/199901854.db2.gz MNKHXQFXKVWVJW-INIZCTEOSA-N 0 0 301.386 2.191 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ocnc1C(=O)OC ZINC000598421845 359194287 /nfs/dbraw/zinc/19/42/87/359194287.db2.gz MTLPMOOKGWMYAA-TXEJJXNPSA-N 0 0 304.346 2.103 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2CCC[C@@H]([S@@](C)=O)C2)CCOCC1 ZINC000598747951 359313282 /nfs/dbraw/zinc/31/32/82/359313282.db2.gz DDGAPQMCVOSERX-ZMOMAAQPSA-N 0 0 313.463 2.165 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C#N)c1ccc(CC)cc1 ZINC000598838345 359340376 /nfs/dbraw/zinc/34/03/76/359340376.db2.gz JSWKGSZRDMDIDK-DLBZAZTESA-N 0 0 313.401 2.401 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C#N)c1ccc(CC)cc1 ZINC000598838352 359340549 /nfs/dbraw/zinc/34/05/49/359340549.db2.gz JSWKGSZRDMDIDK-SJORKVTESA-N 0 0 313.401 2.401 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@H](C)CCSC ZINC000599454460 359503412 /nfs/dbraw/zinc/50/34/12/359503412.db2.gz OATAHUXBHUHCLG-GFCCVEGCSA-N 0 0 300.468 2.305 10 30 DEEERN C=CCOC[C@@H](NC(=O)CC1CCC(F)(F)CC1)C(=O)OC ZINC000599882341 359616357 /nfs/dbraw/zinc/61/63/57/359616357.db2.gz YXUNAYTWXVBHDL-GFCCVEGCSA-N 0 0 319.348 2.062 10 30 DEEERN CC[C@@]1(CO)CCCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000187091373 200059967 /nfs/dbraw/zinc/05/99/67/200059967.db2.gz ZNJBKYKQGXQNOG-RDTXWAMCSA-N 0 0 316.401 2.337 10 30 DEEERN CC#CCCCC(=O)N[C@@H](Cc1cccc(OC)c1)C(=O)OC ZINC000600269892 359708627 /nfs/dbraw/zinc/70/86/27/359708627.db2.gz YPRPUEWNFCIKPL-INIZCTEOSA-N 0 0 317.385 2.089 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cc(C)cnc1OCC ZINC000627685895 366591572 /nfs/dbraw/zinc/59/15/72/366591572.db2.gz LLOWCYPQTULNOA-UHFFFAOYSA-N 0 0 319.405 2.446 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccc(C(=O)OCC)cc2)C1=O ZINC000601067771 359910209 /nfs/dbraw/zinc/91/02/09/359910209.db2.gz BRGUOPGFEGUTPA-AWEZNQCLSA-N 0 0 316.357 2.250 10 30 DEEERN C=CCCC(C)(C)CN1C(=O)[C@@H]2CC[C@@H](C(=O)OC)CN2C1=O ZINC000601071974 359912927 /nfs/dbraw/zinc/91/29/27/359912927.db2.gz YFPICUNELPICQN-OLZOCXBDSA-N 0 0 322.405 2.195 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccc2)C1 ZINC000627734091 366603129 /nfs/dbraw/zinc/60/31/29/366603129.db2.gz KRYFDNVYSADLFH-CYBMUJFWSA-N 0 0 324.384 2.440 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cncc(OCCC)c2)C1 ZINC000627733554 366603141 /nfs/dbraw/zinc/60/31/41/366603141.db2.gz XFFKUUVKDWOLIR-ZDUSSCGKSA-N 0 0 317.389 2.234 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cccc(OCCF)c2)C1 ZINC000627733675 366603559 /nfs/dbraw/zinc/60/35/59/366603559.db2.gz ACUCOTHAUUQDHH-ZDUSSCGKSA-N 0 0 320.364 2.398 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000627736064 366604451 /nfs/dbraw/zinc/60/44/51/366604451.db2.gz LUHVBFWMUGRZDI-AWEZNQCLSA-N 0 0 324.384 2.235 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)N2CCc3c2cccc3F)C1 ZINC000627734207 366604626 /nfs/dbraw/zinc/60/46/26/366604626.db2.gz MVFKDXZNIVMCAJ-GFCCVEGCSA-N 0 0 302.349 2.139 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC)cc2C)C1 ZINC000627735159 366604794 /nfs/dbraw/zinc/60/47/94/366604794.db2.gz MFNDDGGQGDMQJU-ZDUSSCGKSA-N 0 0 302.374 2.367 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)N2CCc3cc(F)c(F)cc32)C1 ZINC000627735380 366604816 /nfs/dbraw/zinc/60/48/16/366604816.db2.gz RTYRAGVETQLQOA-LLVKDONJSA-N 0 0 320.339 2.279 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ncc(CCC)s2)C1 ZINC000627734622 366604886 /nfs/dbraw/zinc/60/48/86/366604886.db2.gz YFCVZVXYVONQAW-NSHDSACASA-N 0 0 307.419 2.459 10 30 DEEERN C=CCCCCNC(=O)NC[C@@]1(C(=O)OCC)CCCOC1 ZINC000601592430 360081778 /nfs/dbraw/zinc/08/17/78/360081778.db2.gz TULLEBBIOYIKRE-INIZCTEOSA-N 0 0 312.410 2.002 10 30 DEEERN C=CCC[C@H](NC(=O)c1cn2c(n1)C[C@@H](C)CC2)C(=O)OCC ZINC000601623198 360091022 /nfs/dbraw/zinc/09/10/22/360091022.db2.gz YASHSPMUOOFAKT-STQMWFEESA-N 0 0 319.405 2.093 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)C(=O)OC ZINC000601770760 360140406 /nfs/dbraw/zinc/14/04/06/360140406.db2.gz DUPHARZDZXVUMD-BXUZGUMPSA-N 0 0 309.337 2.217 10 30 DEEERN C=C(C)C[C@H](NC(=O)COc1ccccc1CC)C(=O)OC ZINC000601772734 360141965 /nfs/dbraw/zinc/14/19/65/360141965.db2.gz PZDLQBPEJYGMLQ-AWEZNQCLSA-N 0 0 305.374 2.252 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCc1ccc(OC)c(F)c1)C(=O)OC ZINC000601779227 360144528 /nfs/dbraw/zinc/14/45/28/360144528.db2.gz RYEMJLDPLDXHPJ-AWEZNQCLSA-N 0 0 323.364 2.391 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1CSc2ccccc21)C(=O)OC ZINC000601782723 360146707 /nfs/dbraw/zinc/14/67/07/360146707.db2.gz RRZJFFHIXUPYQT-CHWSQXEVSA-N 0 0 305.399 2.500 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1[nH]c2ccccc2c1OC)C(=O)OC ZINC000601782952 360146802 /nfs/dbraw/zinc/14/68/02/360146802.db2.gz SHLZREPEKADBJE-ZDUSSCGKSA-N 0 0 316.357 2.414 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CSCc1cscn1)C(=O)OC ZINC000601783044 360146885 /nfs/dbraw/zinc/14/68/85/360146885.db2.gz UNGVGWKQIRZWJV-LLVKDONJSA-N 0 0 314.432 2.000 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1oc(CC2CC2)nc1C)C(=O)OC ZINC000601786811 360149453 /nfs/dbraw/zinc/14/94/53/360149453.db2.gz IXTCUXVIACWQOK-GFCCVEGCSA-N 0 0 306.362 2.173 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(F)c(NC(C)=O)c1)C(=O)OC ZINC000601786433 360149631 /nfs/dbraw/zinc/14/96/31/360149631.db2.gz QUQMNUICDLMLFQ-AWEZNQCLSA-N 0 0 322.336 2.022 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(C(C)=O)c(C)nc1C)C(=O)OC ZINC000601788324 360150415 /nfs/dbraw/zinc/15/04/15/360150415.db2.gz UCAVKWJXAVXXEX-OAHLLOKOSA-N 0 0 318.373 2.139 10 30 DEEERN C=CCC[C@H](C(=O)N1CC(NC(=O)C2CC2)C1)c1ccccc1 ZINC000189382241 200391309 /nfs/dbraw/zinc/39/13/09/200391309.db2.gz SSWUWYWBMGMHFJ-KRWDZBQOSA-N 0 0 312.413 2.473 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cn(CC)nc1C1CC1)C(=O)OC ZINC000601790227 360151499 /nfs/dbraw/zinc/15/14/99/360151499.db2.gz ZCPZHWXYMPDHBV-CYBMUJFWSA-N 0 0 305.378 2.018 10 30 DEEERN C=CCn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601855234 360175630 /nfs/dbraw/zinc/17/56/30/360175630.db2.gz QLVLCKRXHLNHDM-MGPQQGTHSA-N 0 0 301.394 2.444 10 30 DEEERN C=CCC(CC=C)C(=O)N1CCCC[C@]1(COC)C(=O)OC ZINC000602368077 360351167 /nfs/dbraw/zinc/35/11/67/360351167.db2.gz QGGKAMVDSOBYBF-KRWDZBQOSA-N 0 0 309.406 2.326 10 30 DEEERN C=C(C)COCCNCc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602565454 360435730 /nfs/dbraw/zinc/43/57/30/360435730.db2.gz BTCZWCOQTGGWFX-UHFFFAOYSA-N 0 0 309.410 2.058 10 30 DEEERN C=CCC[C@@H](NCc1c2c(nn1C)CCCC2)C(=O)OCC ZINC000602679567 360494052 /nfs/dbraw/zinc/49/40/52/360494052.db2.gz HGYUOGGBIJFSSV-OAHLLOKOSA-N 0 0 305.422 2.286 10 30 DEEERN C=CCC[C@H](NCc1cccn(C(F)F)c1=O)C(=O)OCC ZINC000602683917 360496539 /nfs/dbraw/zinc/49/65/39/360496539.db2.gz XRYITZZTAASWRB-LBPRGKRZSA-N 0 0 314.332 2.231 10 30 DEEERN C=C(C)C[C@@H](NCc1c(C)[nH]c(C(=O)OCC)c1C)C(=O)OC ZINC000602737954 360528547 /nfs/dbraw/zinc/52/85/47/360528547.db2.gz DOIFGDYGDYYVTN-CQSZACIVSA-N 0 0 322.405 2.406 10 30 DEEERN C=CCN1CC[C@@H](N2[C@H](C)CCC[C@@H]2C(=O)OC(C)(C)C)C1=O ZINC000602851886 360590058 /nfs/dbraw/zinc/59/00/58/360590058.db2.gz ZXRHWSGYEXVHBU-RBSFLKMASA-N 0 0 322.449 2.358 10 30 DEEERN C=CCC1(C(=O)N[C@H](C)c2nc(C(=O)OCC)n[nH]2)CCCC1 ZINC000603154373 360725810 /nfs/dbraw/zinc/72/58/10/360725810.db2.gz LZBYQHBHCHLJGC-LLVKDONJSA-N 0 0 320.393 2.295 10 30 DEEERN N#Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c[nH]1 ZINC000271993627 209367868 /nfs/dbraw/zinc/36/78/68/209367868.db2.gz MIXFEVQXTJNMMR-SWLSCSKDSA-N 0 0 317.295 2.113 10 30 DEEERN N#Cc1cc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)ccn1 ZINC000192669346 200919998 /nfs/dbraw/zinc/91/99/98/200919998.db2.gz DZPTWPJIRHDXEQ-AWEZNQCLSA-N 0 0 306.369 2.210 10 30 DEEERN N#Cc1ccc(CNC(=O)c2ccc(NC(N)=O)cc2)c(F)c1 ZINC000609231061 361290241 /nfs/dbraw/zinc/29/02/41/361290241.db2.gz JYAXRNVLDQJBIR-UHFFFAOYSA-N 0 0 312.304 2.118 10 30 DEEERN C[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)c1ccncc1 ZINC000610518493 361414813 /nfs/dbraw/zinc/41/48/13/361414813.db2.gz UTVSCUDKIYCDGL-LBPRGKRZSA-N 0 0 301.371 2.035 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000628313941 366806173 /nfs/dbraw/zinc/80/61/73/366806173.db2.gz HYKKUWVQLBEOKO-UHFFFAOYSA-N 0 0 315.377 2.003 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1cc2c(ncnc2N(C)C)n1C ZINC000628314495 366806228 /nfs/dbraw/zinc/80/62/28/366806228.db2.gz BTPLNOZDMALXAO-UHFFFAOYSA-N 0 0 315.421 2.366 10 30 DEEERN C=CC(C)(C)CCNC(=O)C1CCN(Cc2nccn2C)CC1 ZINC000628315571 366807798 /nfs/dbraw/zinc/80/77/98/366807798.db2.gz PIAKMOXBJWWFPN-UHFFFAOYSA-N 0 0 318.465 2.351 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NC[C@H](n1cccn1)C(F)(F)F ZINC000628330790 366815374 /nfs/dbraw/zinc/81/53/74/366815374.db2.gz QBEUZSLVRWLXAJ-WCQYABFASA-N 0 0 319.327 2.332 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NC[C@@H](n1cccn1)C(F)(F)F ZINC000628330789 366815727 /nfs/dbraw/zinc/81/57/27/366815727.db2.gz QBEUZSLVRWLXAJ-DGCLKSJQSA-N 0 0 319.327 2.332 10 30 DEEERN C[C@H](C[C@@H]1CCOC1)NC(=O)NCc1ccc(C#N)cc1F ZINC000610738100 361456029 /nfs/dbraw/zinc/45/60/29/361456029.db2.gz OPGHITGVQYWMLZ-YPMHNXCESA-N 0 0 305.353 2.312 10 30 DEEERN Cn1ccnc1C[C@@H](NC(=O)c1ccc(C#N)[nH]1)c1ccccc1 ZINC000611035108 361516403 /nfs/dbraw/zinc/51/64/03/361516403.db2.gz MIKUQHKIUQQGKW-MRXNPFEDSA-N 0 0 319.368 2.334 10 30 DEEERN C=CCCO[C@H](C)C(=O)NCc1c(C(F)(F)F)cnn1C ZINC000628357376 366826341 /nfs/dbraw/zinc/82/63/41/366826341.db2.gz VDZXKTGAHXCBNM-SECBINFHSA-N 0 0 305.300 2.036 10 30 DEEERN C[C@H](NC(=O)NCc1ccc(C#N)cc1F)[C@H]1CCCCO1 ZINC000611471982 361605163 /nfs/dbraw/zinc/60/51/63/361605163.db2.gz SBWQWEHTLOXMMW-XHDPSFHLSA-N 0 0 305.353 2.454 10 30 DEEERN Cc1ccncc1[C@@H](C)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000611292034 361573818 /nfs/dbraw/zinc/57/38/18/361573818.db2.gz IWCSAEXVPLCQNA-LLVKDONJSA-N 0 0 319.361 2.440 10 30 DEEERN C[C@H](NC(=O)NCc1ccc(C#N)cc1F)[C@@H]1CCCOC1 ZINC000611545703 361626870 /nfs/dbraw/zinc/62/68/70/361626870.db2.gz LVUBEMWDFJZMCS-SMDDNHRTSA-N 0 0 305.353 2.312 10 30 DEEERN C=CCOCCNC(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1 ZINC000611557718 361629312 /nfs/dbraw/zinc/62/93/12/361629312.db2.gz NINFGEKPSPXVND-UHFFFAOYSA-N 0 0 320.389 2.461 10 30 DEEERN Cc1onc(CC(=O)N(C[C@@H]2CCCO2)C2CCCC2)c1C#N ZINC000611528381 361623574 /nfs/dbraw/zinc/62/35/74/361623574.db2.gz XNQHDVXWRRMCHE-AWEZNQCLSA-N 0 0 317.389 2.347 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCCCO ZINC000194906903 201310017 /nfs/dbraw/zinc/31/00/17/201310017.db2.gz SQSLZLSZEYOHDS-UHFFFAOYSA-N 0 0 318.417 2.366 10 30 DEEERN Cc1cc(NCc2cn(C)nn2)n2c3ccccc3nc2c1C#N ZINC000611930445 361706596 /nfs/dbraw/zinc/70/65/96/361706596.db2.gz FNDPQFDIUDZYHZ-UHFFFAOYSA-N 0 0 317.356 2.408 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCCC1(O)CCC1 ZINC000611992357 361720947 /nfs/dbraw/zinc/72/09/47/361720947.db2.gz UNTDMQSIXIGOHV-HUUCEWRRSA-N 0 0 322.449 2.049 10 30 DEEERN C[C@@H](CNS(=O)(=O)c1cccc(CC#N)c1)c1ccncc1 ZINC000619489406 363810604 /nfs/dbraw/zinc/81/06/04/363810604.db2.gz BRVGIXFMQYQPQC-ZDUSSCGKSA-N 0 0 315.398 2.230 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(C#N)cc1F ZINC000619562027 363826175 /nfs/dbraw/zinc/82/61/75/363826175.db2.gz SHHIPOQSZAYWBN-ZBFHGGJFSA-N 0 0 317.364 2.478 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nnc(C3CC3)n2C1 ZINC000620303229 364012886 /nfs/dbraw/zinc/01/28/86/364012886.db2.gz MMOICXJAMQSROH-SOUVJXGZSA-N 0 0 312.417 2.428 10 30 DEEERN CC(=O)CCc1ccc(OCC(=O)N2CC[C@@](C)(C#N)C2)cc1 ZINC000620300971 364012987 /nfs/dbraw/zinc/01/29/87/364012987.db2.gz CINNFQZOHXWRPD-SFHVURJKSA-N 0 0 314.385 2.349 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2ccnc(O[C@@H]3CCOC3)c2)C1 ZINC000628491458 366865404 /nfs/dbraw/zinc/86/54/04/366865404.db2.gz YSUDMQJWHGFALY-DZGCQCFKSA-N 0 0 302.374 2.288 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1ccc(O)cc1 ZINC000622135093 364676255 /nfs/dbraw/zinc/67/62/55/364676255.db2.gz WTIUISRGTZPFSK-CJNGLKHVSA-N 0 0 316.401 2.373 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc(C)c2c(n1)CCCC2 ZINC000622775247 364794068 /nfs/dbraw/zinc/79/40/68/364794068.db2.gz LTAVSJYOCNYPEI-HNNXBMFYSA-N 0 0 316.405 2.073 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCCNC(=O)c2ccc(C)cc2)C1 ZINC000623597107 365095729 /nfs/dbraw/zinc/09/57/29/365095729.db2.gz WYRKPKWXPFTUKT-OAHLLOKOSA-N 0 0 315.417 2.332 10 30 DEEERN Cc1cccn2c1ncc(C(=O)Nc1sccc1C#N)c2=O ZINC000091188521 193016003 /nfs/dbraw/zinc/01/60/03/193016003.db2.gz GEOZYLDVQWEHJW-UHFFFAOYSA-N 0 0 310.338 2.188 10 30 DEEERN C=C(C)COCCNC(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000623767870 365168201 /nfs/dbraw/zinc/16/82/01/365168201.db2.gz BUCPPCGNEFNHFK-INIZCTEOSA-N 0 0 304.390 2.020 10 30 DEEERN COc1ccc(C(=O)N2CCC(C#N)(SC)CC2)c(O)c1 ZINC000091472123 193061492 /nfs/dbraw/zinc/06/14/92/193061492.db2.gz HSFLSKZXKKVFNN-UHFFFAOYSA-N 0 0 306.387 2.262 10 30 DEEERN CSC1(C#N)CCN(CC(=O)NCc2ccccc2)CC1 ZINC000091476148 193061545 /nfs/dbraw/zinc/06/15/45/193061545.db2.gz GMHWCEHOBVPWQN-UHFFFAOYSA-N 0 0 303.431 2.024 10 30 DEEERN C=CCc1cc(CN2CCO[C@@](C)(COC)C2)cc(OC)c1O ZINC000628496942 366868201 /nfs/dbraw/zinc/86/82/01/366868201.db2.gz CGEXWQVUYUHTHA-GOSISDBHSA-N 0 0 321.417 2.367 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCCC(C)(C)S(C)(=O)=O ZINC000624207923 365333578 /nfs/dbraw/zinc/33/35/78/365333578.db2.gz USPJRXVQDWZFFJ-UHFFFAOYSA-N 0 0 304.456 2.101 10 30 DEEERN N#C[C@H]1CNCCN1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000091748311 193100977 /nfs/dbraw/zinc/10/09/77/193100977.db2.gz SKYFNICCLXELBV-AWEZNQCLSA-N 0 0 302.765 2.292 10 30 DEEERN C=CC(C)(C)CCNC(=O)NC1CCN(c2cccnn2)CC1 ZINC000624464114 365430019 /nfs/dbraw/zinc/43/00/19/365430019.db2.gz MRDKRMKUEZXPPR-UHFFFAOYSA-N 0 0 317.437 2.347 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000624466220 365431384 /nfs/dbraw/zinc/43/13/84/365431384.db2.gz NTKWKERZDKGMJY-CQSZACIVSA-N 0 0 307.438 2.385 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000449892176 241222535 /nfs/dbraw/zinc/22/25/35/241222535.db2.gz NEMFYIXYXOFJLE-WFASDCNBSA-N 0 0 303.406 2.468 10 30 DEEERN Cn1c(C#N)ccc1C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000449918393 241246709 /nfs/dbraw/zinc/24/67/09/241246709.db2.gz IGPZFXJVULNDNL-HNNXBMFYSA-N 0 0 311.341 2.317 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1Cc2cccc(OC)c2C1 ZINC000629112332 367083404 /nfs/dbraw/zinc/08/34/04/367083404.db2.gz WZAPICFNURAWBP-OAHLLOKOSA-N 0 0 302.374 2.008 10 30 DEEERN C=CCNC(=O)[C@H](C)Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C ZINC000629274106 367147077 /nfs/dbraw/zinc/14/70/77/367147077.db2.gz ZWQGPBBFFUGKKI-RYUDHWBXSA-N 0 0 301.390 2.259 10 30 DEEERN C=C(C)[C@H](CC(=O)Nc1nc(-c2ccccc2)no1)OCC ZINC000629956996 367397717 /nfs/dbraw/zinc/39/77/17/367397717.db2.gz NJLFPPPOQDLZII-ZDUSSCGKSA-N 0 0 301.346 2.468 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccc(Cn3cccn3)cc2)C1=O ZINC000630969817 367942965 /nfs/dbraw/zinc/94/29/65/367942965.db2.gz HXBADNBBHFOWLY-MRXNPFEDSA-N 0 0 324.384 2.318 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2cccc(OCCOC)c2)C1=O ZINC000630971699 367943950 /nfs/dbraw/zinc/94/39/50/367943950.db2.gz UUXNDZGQWQHXAH-HNNXBMFYSA-N 0 0 318.373 2.098 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2nc(C)c3ccccc3n2)C1=O ZINC000630972259 367944066 /nfs/dbraw/zinc/94/40/66/367944066.db2.gz KTYRJTBBOORYFV-AWEZNQCLSA-N 0 0 310.357 2.325 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H]2CCOc3cc(OC)ccc32)C1=O ZINC000630976250 367946647 /nfs/dbraw/zinc/94/66/47/367946647.db2.gz NFNCWGKTUNVAMX-KGLIPLIRSA-N 0 0 316.357 2.405 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2CCc3cnn(C(C)C)c3C2)C1=O ZINC000630978569 367947589 /nfs/dbraw/zinc/94/75/89/367947589.db2.gz ZBKLMSSLBJVSOB-KGLIPLIRSA-N 0 0 316.405 2.208 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2CCc3cnn(C(C)C)c3C2)C1=O ZINC000630978568 367947895 /nfs/dbraw/zinc/94/78/95/367947895.db2.gz ZBKLMSSLBJVSOB-KBPBESRZSA-N 0 0 316.405 2.208 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccnc(OC(C)C)c2)C1=O ZINC000630977474 367947997 /nfs/dbraw/zinc/94/79/97/367947997.db2.gz DMUCIABDWNMGAF-CYBMUJFWSA-N 0 0 303.362 2.255 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1=O ZINC000630980189 367948698 /nfs/dbraw/zinc/94/86/98/367948698.db2.gz ZHJSRCUWZCRSEU-IGQOVBAYSA-N 0 0 304.390 2.221 10 30 DEEERN CC(=O)c1cccc(NC(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000631467716 368239540 /nfs/dbraw/zinc/23/95/40/368239540.db2.gz AQYBHBMRNOZGLR-BETUJISGSA-N 0 0 314.389 2.339 10 30 DEEERN CC(=O)c1ccc(NC(=O)N2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000631470455 368241931 /nfs/dbraw/zinc/24/19/31/368241931.db2.gz ZEVSRJLWGMSFSY-STQMWFEESA-N 0 0 314.389 2.339 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1nc(-c2cnccn2)no1 ZINC000631485167 368249744 /nfs/dbraw/zinc/24/97/44/368249744.db2.gz YTOSZLFCCPCYSV-UHFFFAOYSA-N 0 0 301.350 2.249 10 30 DEEERN C=C1CC(C)(C(=O)NCCCN2c3ccccc3OCC2=O)C1 ZINC000631508585 368260679 /nfs/dbraw/zinc/26/06/79/368260679.db2.gz ZLAWOEDQBSJELP-UHFFFAOYSA-N 0 0 314.385 2.275 10 30 DEEERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C#N)n1C ZINC000451518716 243062033 /nfs/dbraw/zinc/06/20/33/243062033.db2.gz SJWXVGGZFGBKMC-UHFFFAOYSA-N 0 0 312.329 2.120 10 30 DEEERN C=CC1CCN(S(=O)(=O)c2c(C(F)(F)F)cnn2C)CC1 ZINC000631939484 368461686 /nfs/dbraw/zinc/46/16/86/368461686.db2.gz BODOBZKJTMSLIV-UHFFFAOYSA-N 0 0 323.340 2.026 10 30 DEEERN N#C[C@@H]1CN(CC(=O)c2cc(Cl)sc2Cl)CCO1 ZINC000093933368 193329339 /nfs/dbraw/zinc/32/93/39/193329339.db2.gz AOBKQAXOZUQJBQ-SSDOTTSWSA-N 0 0 305.186 2.462 10 30 DEEERN C=CCN1C(=O)N=C(N)[C@H]1c1cc(Br)ccc1OC ZINC000094516407 193376395 /nfs/dbraw/zinc/37/63/95/193376395.db2.gz MCDOICYBLCQJJW-LLVKDONJSA-N 0 0 324.178 2.478 10 30 DEEERN CO[C@@H]1CCC[C@@H]1NC(=O)c1cc(C)c(C#CCCO)s1 ZINC000094535095 193377430 /nfs/dbraw/zinc/37/74/30/193377430.db2.gz PRRRGKQACSVELR-QWHCGFSZSA-N 0 0 307.415 2.088 10 30 DEEERN Cc1cc(C(=O)N2CCCO[C@@H](C)C2)sc1C#CCCO ZINC000094535276 193377431 /nfs/dbraw/zinc/37/74/31/193377431.db2.gz NPVXSNPSIKQJPU-ZDUSSCGKSA-N 0 0 307.415 2.041 10 30 DEEERN C=CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccnn1C ZINC000453439050 245138476 /nfs/dbraw/zinc/13/84/76/245138476.db2.gz KVYIGFGXSMFXGR-CQSZACIVSA-N 0 0 316.409 2.076 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@@H](O)[C@H]1C ZINC000453887649 245340056 /nfs/dbraw/zinc/34/00/56/245340056.db2.gz APIGYLWMWLMDRV-CZUORRHYSA-N 0 0 316.401 2.116 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@H]1CO ZINC000454010018 245390891 /nfs/dbraw/zinc/39/08/91/245390891.db2.gz NMBNLPOKDSCFKS-HOCLYGCPSA-N 0 0 316.401 2.021 10 30 DEEERN NC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000013686218 181879031 /nfs/dbraw/zinc/87/90/31/181879031.db2.gz WYJCBSDNIANXRY-VXLYETTFSA-N 0 0 322.397 2.101 10 30 DEEERN C[N-]C(=S)[NH+]=C(Nc1nc(C)cc(C)n1)NC1CCCCC1 ZINC000014156479 181930898 /nfs/dbraw/zinc/93/08/98/181930898.db2.gz JAXJIUBIOVJCDX-UHFFFAOYSA-N 0 0 320.466 2.288 10 30 DEEERN COCCOc1ccc(Cl)cc1C(=O)N[C@@H](C#N)C1CC1 ZINC000161682051 197511555 /nfs/dbraw/zinc/51/15/55/197511555.db2.gz ATJBNGPWWUNAST-ZDUSSCGKSA-N 0 0 308.765 2.397 10 30 DEEERN C=C(Br)CN1C(=O)C(CC)(CC)NC(=O)[C@H]1CC ZINC000161578100 197505164 /nfs/dbraw/zinc/50/51/64/197505164.db2.gz SSUNAHPLLYUBPK-SNVBAGLBSA-N 0 0 317.227 2.191 10 30 DEEERN CN(CC/C(N)=N/O)Cc1cc(Br)ccc1F ZINC000019834036 182154580 /nfs/dbraw/zinc/15/45/80/182154580.db2.gz VIIZJVVPEJFLSR-UHFFFAOYSA-N 0 0 304.163 2.157 10 30 DEEERN C=CC[C@H]([NH3+])C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)[O-] ZINC000160253080 197395743 /nfs/dbraw/zinc/39/57/43/197395743.db2.gz DOFWZPMVYFBQMA-VIFPVBQESA-N 0 0 302.252 2.246 10 30 DEEERN C=CCNC(=O)[C@@H](C)Oc1ccc(Br)cc1C=O ZINC000020310685 182205737 /nfs/dbraw/zinc/20/57/37/182205737.db2.gz IWKHWKCXDDRYTO-SECBINFHSA-N 0 0 312.163 2.331 10 30 DEEERN Cc1cc(CCNC(=O)NCc2ccc(C#N)c(F)c2)on1 ZINC000454968597 246297660 /nfs/dbraw/zinc/29/76/60/246297660.db2.gz SJFQWLYBQIKNMP-UHFFFAOYSA-N 0 0 302.309 2.036 10 30 DEEERN C=CCC[C@H](NC(=O)[C@@H](OC)c1ccc(O)cc1)C(=O)OCC ZINC000456600056 247301159 /nfs/dbraw/zinc/30/11/59/247301159.db2.gz DFGQSDNBQKGDGE-GJZGRUSLSA-N 0 0 321.373 2.094 10 30 DEEERN C=CCC[C@H](NC(=O)CCc1ccccc1O)C(=O)OCC ZINC000456632487 247325089 /nfs/dbraw/zinc/32/50/89/247325089.db2.gz UDULFAJCUXFLRT-AWEZNQCLSA-N 0 0 305.374 2.339 10 30 DEEERN C=C(CC)CNC(=O)CNC(=O)c1cc2c(s1)CCCC2 ZINC000456825073 247444124 /nfs/dbraw/zinc/44/41/24/247444124.db2.gz GLWCZGQZGKNPAI-UHFFFAOYSA-N 0 0 306.431 2.439 10 30 DEEERN C=C(CC)CNC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000456831798 247446559 /nfs/dbraw/zinc/44/65/59/247446559.db2.gz VDOHVXORVZOJFP-MRXNPFEDSA-N 0 0 304.390 2.345 10 30 DEEERN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000457627685 247915810 /nfs/dbraw/zinc/91/58/10/247915810.db2.gz YLIDNVBSMSZNOV-OBJOEFQTSA-N 0 0 321.339 2.274 10 30 DEEERN COCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1ccco1 ZINC000040358419 183056335 /nfs/dbraw/zinc/05/63/35/183056335.db2.gz QTJPPSHWZJUNAW-CQSZACIVSA-N 0 0 307.346 2.237 10 30 DEEERN COc1cccc([C@H](C#N)N2CCN(C(=O)C(C)C)CC2)c1 ZINC000041258931 183182035 /nfs/dbraw/zinc/18/20/35/183182035.db2.gz BHKJJTOPSDZPBJ-INIZCTEOSA-N 0 0 301.390 2.060 10 30 DEEERN CN(C)C(=O)N1CCN([C@H](C#N)c2ccccc2Cl)CC1 ZINC000041259710 183182059 /nfs/dbraw/zinc/18/20/59/183182059.db2.gz AXQNLXCSLATOQG-CQSZACIVSA-N 0 0 306.797 2.204 10 30 DEEERN CCOC(=O)N1CCN([C@@H](C#N)c2ccc(OCC)cc2)CC1 ZINC000041261351 183182322 /nfs/dbraw/zinc/18/23/22/183182322.db2.gz HDONZRGGMVJOKJ-INIZCTEOSA-N 0 0 317.389 2.424 10 30 DEEERN N#CCCCN1C(=O)C(=O)c2cc(F)cc(Br)c21 ZINC000042079204 183232046 /nfs/dbraw/zinc/23/20/46/183232046.db2.gz DRYNIVIIAOZCFC-UHFFFAOYSA-N 0 0 311.110 2.421 10 30 DEEERN CCCO[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000042425050 183268519 /nfs/dbraw/zinc/26/85/19/183268519.db2.gz LIRQHHCWUAKFHZ-AWEZNQCLSA-N 0 0 308.403 2.138 10 30 DEEERN CC(C)N(CCC#N)S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000042530593 183281801 /nfs/dbraw/zinc/28/18/01/183281801.db2.gz IAQCQSJUHYLWIU-UHFFFAOYSA-N 0 0 315.326 2.047 10 30 DEEERN Cc1ncsc1C(=O)NCc1ccccc1C#CCCO ZINC000049589249 183744625 /nfs/dbraw/zinc/74/46/25/183744625.db2.gz FHTYYHCIVSQHSW-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN Cc1ccc(NS(=O)(=O)c2ccccc2)cc1C#CCO ZINC000109435466 194263088 /nfs/dbraw/zinc/26/30/88/194263088.db2.gz FPJTVJWCCQIGMU-UHFFFAOYSA-N 0 0 301.367 2.140 10 30 DEEERN C[C@@H](C#N)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000109452870 194264895 /nfs/dbraw/zinc/26/48/95/194264895.db2.gz FJEHYIHUMYFWLI-LBPRGKRZSA-N 0 0 308.223 2.479 10 30 DEEERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000109854829 194294405 /nfs/dbraw/zinc/29/44/05/194294405.db2.gz YIIBVFRPUAPYCP-OAHLLOKOSA-N 0 0 309.373 2.189 10 30 DEEERN C#CCOC[C@@H]1CCCN(C(=O)c2ccc3nsnc3c2)C1 ZINC000056922926 184021580 /nfs/dbraw/zinc/02/15/80/184021580.db2.gz ICFAIGWRWJJKRK-GFCCVEGCSA-N 0 0 315.398 2.193 10 30 DEEERN Cc1cc(NS(=O)(=O)c2ccc(N)cc2C#N)ccc1F ZINC000061099171 184161644 /nfs/dbraw/zinc/16/16/44/184161644.db2.gz QUWCAEWDRSDUIG-UHFFFAOYSA-N 0 0 305.334 2.389 10 30 DEEERN CCCn1c(SCCC[C@](C)(C#N)NC(C)C)n[nH]c1=O ZINC000061607382 184178154 /nfs/dbraw/zinc/17/81/54/184178154.db2.gz XFMRPXYXJILWHH-CQSZACIVSA-N 0 0 311.455 2.134 10 30 DEEERN C[C@H](C(=O)Nc1cc(C#CCO)ccc1Cl)n1cccn1 ZINC000061691503 184182719 /nfs/dbraw/zinc/18/27/19/184182719.db2.gz FXXGZDUZGXGXMI-LLVKDONJSA-N 0 0 303.749 2.080 10 30 DEEERN Cc1nc(Cl)sc1S(=O)(=O)N[C@H]1CCC[C@@H]1C#N ZINC000061890347 184193142 /nfs/dbraw/zinc/19/31/42/184193142.db2.gz FLUVSQUYCOCPSZ-SFYZADRCSA-N 0 0 305.812 2.076 10 30 DEEERN C[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(C#N)c1 ZINC000062189473 184217734 /nfs/dbraw/zinc/21/77/34/184217734.db2.gz XHJQHICCYYDTSX-CYBMUJFWSA-N 0 0 300.383 2.468 10 30 DEEERN C=C(C)COc1ccccc1-c1cc(C(=O)NCC)nc(N)n1 ZINC000066138520 184392417 /nfs/dbraw/zinc/39/24/17/184392417.db2.gz CIQJVWXRLNVWKW-UHFFFAOYSA-N 0 0 312.373 2.430 10 30 DEEERN CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000407958622 285049689 /nfs/dbraw/zinc/04/96/89/285049689.db2.gz RCXRWRPQLBEIAU-MQYQWHSLSA-N 0 0 301.456 2.079 10 30 DEEERN C=CCN(CCO)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000120011567 195080481 /nfs/dbraw/zinc/08/04/81/195080481.db2.gz XOTFBHMMPJWRIH-UHFFFAOYSA-N 0 0 310.202 2.162 10 30 DEEERN C#CCSCCNC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000120190735 195115452 /nfs/dbraw/zinc/11/54/52/195115452.db2.gz VMWUYAZPHYMBKZ-UHFFFAOYSA-N 0 0 311.353 2.410 10 30 DEEERN Cc1cc(C(=O)N2CCSC(C)(C)C2)ccc1C#CCO ZINC000159026323 197319867 /nfs/dbraw/zinc/31/98/67/197319867.db2.gz ITCUHWFKCVPTGG-UHFFFAOYSA-N 0 0 303.427 2.306 10 30 DEEERN C=CCn1ncc(NC(C)(C)COC)c(Br)c1=O ZINC000158579821 197284503 /nfs/dbraw/zinc/28/45/03/197284503.db2.gz DMXSJPODEZUGPC-UHFFFAOYSA-N 0 0 316.199 2.029 10 30 DEEERN CC[C@H]1CN(C(=O)c2ccc(C#CCO)cc2F)CCS1 ZINC000157975583 197232545 /nfs/dbraw/zinc/23/25/45/197232545.db2.gz LZMYFMUHJJYTEZ-ZDUSSCGKSA-N 0 0 307.390 2.137 10 30 DEEERN O=C(NC[C@@H]1CCCCS1)c1ccc(C#CCCO)cc1 ZINC000156557593 197122403 /nfs/dbraw/zinc/12/24/03/197122403.db2.gz UWDKZYXLEMHMNY-INIZCTEOSA-N 0 0 303.427 2.436 10 30 DEEERN O=C(NC[C@H]1CCCS1)c1ccc(F)cc1C#CCCO ZINC000155934002 197075930 /nfs/dbraw/zinc/07/59/30/197075930.db2.gz KKSMVKQXVMNLON-CQSZACIVSA-N 0 0 307.390 2.185 10 30 DEEERN O=C(NC[C@@H]1CCCS1)c1cc(C#CCCO)ccc1F ZINC000155931416 197075628 /nfs/dbraw/zinc/07/56/28/197075628.db2.gz PIECULGTCNMPEZ-ZDUSSCGKSA-N 0 0 307.390 2.185 10 30 DEEERN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)C[C@@H]1CCCO1 ZINC000187829423 533186240 /nfs/dbraw/zinc/18/62/40/533186240.db2.gz SAQQNOXSWCLOJJ-RDJZCZTQSA-N 0 0 315.417 2.433 10 30 DEEERN COCCOc1cc(OC)ccc1C(=O)NC1(C#N)CCCC1 ZINC000190905044 533219517 /nfs/dbraw/zinc/21/95/17/533219517.db2.gz YHJDASHCHUSUHL-UHFFFAOYSA-N 0 0 318.373 2.287 10 30 DEEERN COc1ccc(CCNC(=O)C2(C#N)CCOCC2)c(Cl)c1 ZINC000151326764 196665235 /nfs/dbraw/zinc/66/52/35/196665235.db2.gz GGEQSINCRVPIHJ-UHFFFAOYSA-N 0 0 322.792 2.328 10 30 DEEERN N#Cc1ccc(Br)cc1N[C@@H]1C=CS(=O)(=O)C1 ZINC000123322633 195568250 /nfs/dbraw/zinc/56/82/50/195568250.db2.gz JHUGCEREUKLTDF-SNVBAGLBSA-N 0 0 313.176 2.043 10 30 DEEERN CSC[C@@H](C)N(C)C(=O)c1ccc(C#CCCO)c(F)c1 ZINC000124508348 195648532 /nfs/dbraw/zinc/64/85/32/195648532.db2.gz GXECQSNUYXJYHC-GFCCVEGCSA-N 0 0 309.406 2.383 10 30 DEEERN CC[C@@H](C#N)Oc1cc(Cl)c(S(N)(=O)=O)cc1Cl ZINC000127626220 195894756 /nfs/dbraw/zinc/89/47/56/195894756.db2.gz HXDXOUAEHRCJES-LURJTMIESA-N 0 0 309.174 2.322 10 30 DEEERN C[C@H](CC(=O)N[C@@H](C#N)C1CCCCC1)N1CCCCC1=O ZINC000189213695 533663782 /nfs/dbraw/zinc/66/37/82/533663782.db2.gz IJTGRYMSOXDNNV-HIFRSBDPSA-N 0 0 305.422 2.366 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000176588452 132520795 /nfs/dbraw/zinc/52/07/95/132520795.db2.gz BTMYONIFXLNWSY-UHFFFAOYSA-N 0 0 308.341 2.041 10 30 DEEERN N#Cc1cc(S(=O)(=O)N2CC[C@@H](c3ccco3)C2)ccc1F ZINC000377623510 133337906 /nfs/dbraw/zinc/33/79/06/133337906.db2.gz JIOXKNZVJGLOBN-LLVKDONJSA-N 0 0 320.345 2.469 10 30 DEEERN CCOc1cccc(N2CCN(c3ccncc3C#N)CC2)n1 ZINC000547825099 285645714 /nfs/dbraw/zinc/64/57/14/285645714.db2.gz VDHXTGFMVDCTHS-UHFFFAOYSA-N 0 0 309.373 2.074 10 30 DEEERN N#Cc1cnccc1N1CCC(c2nnc3n2CCCC3)CC1 ZINC000548156360 285696133 /nfs/dbraw/zinc/69/61/33/285696133.db2.gz OQAUXCRGHQPAJW-UHFFFAOYSA-N 0 0 308.389 2.265 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)c2cc(Cl)ccn2)cn1 ZINC000183686806 144933591 /nfs/dbraw/zinc/93/35/91/144933591.db2.gz OZWBSVNXUWGKRG-UHFFFAOYSA-N 0 0 324.731 2.440 10 30 DEEERN CO[C@@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CC[C@@H]1C ZINC000187577144 145000741 /nfs/dbraw/zinc/00/07/41/145000741.db2.gz JQDLILCHWWTWIM-XJKSGUPXSA-N 0 0 317.389 2.003 10 30 DEEERN N#Cc1ccc(CN2C(=O)NC(C3CC3)(C3CC3)C2=O)cc1F ZINC000187949641 145004928 /nfs/dbraw/zinc/00/49/28/145004928.db2.gz NGWVFPVUFNWSCT-UHFFFAOYSA-N 0 0 313.332 2.308 10 30 DEEERN N#Cc1cc(C(=O)NCc2cccc(N3CCCC3=O)c2)ccn1 ZINC000192691618 145077198 /nfs/dbraw/zinc/07/71/98/145077198.db2.gz VOJDELBWXWDGDT-UHFFFAOYSA-N 0 0 320.352 2.010 10 30 DEEERN Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccnc(C#N)c1 ZINC000193289264 145084117 /nfs/dbraw/zinc/08/41/17/145084117.db2.gz HNBYRQSXPMIRDJ-JOCHJYFZSA-N 0 0 313.382 2.393 10 30 DEEERN Cn1cnc(-c2ccc(NC(=O)c3ccnc(C#N)c3)cc2)n1 ZINC000193792124 145090155 /nfs/dbraw/zinc/09/01/55/145090155.db2.gz KMCMSAZPKLLWCG-UHFFFAOYSA-N 0 0 304.313 2.001 10 30 DEEERN N#Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)ccn1 ZINC000348242894 146239601 /nfs/dbraw/zinc/23/96/01/146239601.db2.gz LFSQJUMYQOZONS-CVEARBPZSA-N 0 0 311.316 2.040 10 30 DEEERN N#Cc1cncn(CC(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000359158405 147272931 /nfs/dbraw/zinc/27/29/31/147272931.db2.gz HNXYYOBLJPNWMU-UHFFFAOYSA-N 0 0 307.231 2.017 10 30 DEEERN C[C@H](c1ccccc1)[C@H](NC(=O)c1sccc1C#N)C(N)=O ZINC000359233601 147287991 /nfs/dbraw/zinc/28/79/91/147287991.db2.gz UNBGRNNKQKBLSB-MFKMUULPSA-N 0 0 313.382 2.007 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000112215811 401733647 /nfs/dbraw/zinc/73/36/47/401733647.db2.gz ZAXKWFSEEFSYBW-INIZCTEOSA-N 0 0 309.454 2.095 10 30 DEEERN CC(C)Nc1ncnc2c1ncn2C[C@@H](O)c1ccc(C#N)cc1 ZINC000127521238 401738180 /nfs/dbraw/zinc/73/81/80/401738180.db2.gz LARKFPDQYBAWCQ-CQSZACIVSA-N 0 0 322.372 2.252 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@@H]2c2ccccc2)cn1 ZINC000111358444 401713358 /nfs/dbraw/zinc/71/33/58/401713358.db2.gz ISULPSQEXNRHDJ-XJKSGUPXSA-N 0 0 313.382 2.035 10 30 DEEERN C=CCCCN(C)C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000076946023 401801170 /nfs/dbraw/zinc/80/11/70/401801170.db2.gz HIMWDFZGZVEJHQ-UHFFFAOYSA-N 0 0 318.421 2.026 10 30 DEEERN CCCn1c(=O)[nH]nc1SCc1cc(C#N)ccc1OC ZINC000129270812 401801338 /nfs/dbraw/zinc/80/13/38/401801338.db2.gz JVFBTECJAHGEDJ-UHFFFAOYSA-N 0 0 304.375 2.154 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N[C@H](C)C(C)C ZINC000129266992 401801659 /nfs/dbraw/zinc/80/16/59/401801659.db2.gz PUKQUSROMCXDHT-GFCCVEGCSA-N 0 0 311.389 2.286 10 30 DEEERN N#Cc1cnc(NCCCOCCOCc2ccccc2)cn1 ZINC000129401868 401803352 /nfs/dbraw/zinc/80/33/52/401803352.db2.gz MVVHQVUGCIPGSN-UHFFFAOYSA-N 0 0 312.373 2.384 10 30 DEEERN Cc1ccc(NC(=O)N(CCC#N)CCN2CCOCC2)s1 ZINC000075416960 401759554 /nfs/dbraw/zinc/75/95/54/401759554.db2.gz PTCMOZOWLXXVJB-UHFFFAOYSA-N 0 0 322.434 2.136 10 30 DEEERN C=C[C@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000128489639 401779445 /nfs/dbraw/zinc/77/94/45/401779445.db2.gz ZTLKBFHGTQYANZ-MELADBBJSA-N 0 0 318.421 2.069 10 30 DEEERN CN1C(=O)C[C@@H](C(=O)Nc2cccc(C#N)c2)[C@H]1c1cccnc1 ZINC000114113286 401792040 /nfs/dbraw/zinc/79/20/40/401792040.db2.gz IFKDAOVEWAOJIW-NVXWUHKLSA-N 0 0 320.352 2.111 10 30 DEEERN C[C@@H](c1cccc(F)c1)N1CCN(c2cnc(C#N)cn2)CC1 ZINC000128890041 401795869 /nfs/dbraw/zinc/79/58/69/401795869.db2.gz OQDGHRBGJXBURG-ZDUSSCGKSA-N 0 0 311.364 2.371 10 30 DEEERN C[C@H](c1cccc(F)c1)N1CCN(c2cnc(C#N)cn2)CC1 ZINC000128890270 401795954 /nfs/dbraw/zinc/79/59/54/401795954.db2.gz OQDGHRBGJXBURG-CYBMUJFWSA-N 0 0 311.364 2.371 10 30 DEEERN C=CCCC(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000356381735 404489055 /nfs/dbraw/zinc/48/90/55/404489055.db2.gz JKVZBXREQOEDNE-AWEZNQCLSA-N 0 0 314.364 2.481 10 30 DEEERN N#Cc1ccc(C(=O)N2CCO[C@H](c3ccccc3F)C2)cn1 ZINC000115359430 401825432 /nfs/dbraw/zinc/82/54/32/401825432.db2.gz XIYCLNYNDGAYEE-INIZCTEOSA-N 0 0 311.316 2.306 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000077860996 401835614 /nfs/dbraw/zinc/83/56/14/401835614.db2.gz BAEHZJLXFBOFJQ-UHFFFAOYSA-N 0 0 305.334 2.266 10 30 DEEERN C#CCSCCNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000130727648 401837866 /nfs/dbraw/zinc/83/78/66/401837866.db2.gz ZRLBIVZGCZIKJL-WFASDCNBSA-N 0 0 316.426 2.377 10 30 DEEERN C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000130832056 401839566 /nfs/dbraw/zinc/83/95/66/401839566.db2.gz LQOCTRBALGQHSC-CHWSQXEVSA-N 0 0 302.374 2.351 10 30 DEEERN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)N2CCC(C#N)CC2)C1 ZINC000116558028 401854726 /nfs/dbraw/zinc/85/47/26/401854726.db2.gz YESGGOVVWJKRNP-HUUCEWRRSA-N 0 0 320.437 2.015 10 30 DEEERN CCOCCN1CCN(C(=O)c2cccc(C#N)c2)C[C@@H]1CC ZINC000116769593 401858644 /nfs/dbraw/zinc/85/86/44/401858644.db2.gz NKZJPCLMAJTZFF-KRWDZBQOSA-N 0 0 315.417 2.131 10 30 DEEERN C=CC[C@@H](C)NC(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000116973295 401866313 /nfs/dbraw/zinc/86/63/13/401866313.db2.gz DIFYIQMKKSGRSI-OAHLLOKOSA-N 0 0 319.453 2.085 10 30 DEEERN Cc1ccc(CC(=O)Nc2nc3n(c2C#N)CCS3)s1 ZINC000118224888 401893983 /nfs/dbraw/zinc/89/39/83/401893983.db2.gz IXOSJNNUHVOWNG-UHFFFAOYSA-N 0 0 304.400 2.412 10 30 DEEERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1sccc1C#N)CC2 ZINC000136810762 401974288 /nfs/dbraw/zinc/97/42/88/401974288.db2.gz OPAAVVXTICQDDA-NSHDSACASA-N 0 0 315.402 2.079 10 30 DEEERN C=C(C)CN(CC)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000047103230 401978823 /nfs/dbraw/zinc/97/88/23/401978823.db2.gz GKCGUSQOXVLKBC-CQSZACIVSA-N 0 0 303.410 2.053 10 30 DEEERN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000135521080 401943002 /nfs/dbraw/zinc/94/30/02/401943002.db2.gz AWENHGNKRDOVQN-CJNGLKHVSA-N 0 0 322.430 2.277 10 30 DEEERN N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc2ncccc21 ZINC000135637006 401948611 /nfs/dbraw/zinc/94/86/11/401948611.db2.gz UNBYVQPGNNNYBH-DGCLKSJQSA-N 0 0 301.371 2.205 10 30 DEEERN COc1ccc(C(=O)Cn2ccnc2C#N)cc1Br ZINC000094937414 402023153 /nfs/dbraw/zinc/02/31/53/402023153.db2.gz RAGBAPQPYZDLCD-UHFFFAOYSA-N 0 0 320.146 2.409 10 30 DEEERN N#Cc1nncn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000054747046 402071046 /nfs/dbraw/zinc/07/10/46/402071046.db2.gz NRQIWRMUNLBNQH-UHFFFAOYSA-N 0 0 320.234 2.267 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000122450770 402078693 /nfs/dbraw/zinc/07/86/93/402078693.db2.gz UMVTVVPVFDQFCW-UHFFFAOYSA-N 0 0 303.405 2.121 10 30 DEEERN O=C(C#Cc1ccccc1)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000152791593 402109210 /nfs/dbraw/zinc/10/92/10/402109210.db2.gz KCMBSRJWVICNOV-SFHVURJKSA-N 0 0 324.424 2.336 10 30 DEEERN Cc1nn(C)c(C)c1CCNC(=O)CCc1ccc(C#N)cc1 ZINC000097218150 402118138 /nfs/dbraw/zinc/11/81/38/402118138.db2.gz NJZSEDZPLPLHFH-UHFFFAOYSA-N 0 0 310.401 2.200 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000068091472 402184134 /nfs/dbraw/zinc/18/41/34/402184134.db2.gz ACIVNRAKSVITDK-UHFFFAOYSA-N 0 0 314.307 2.444 10 30 DEEERN CN(C)c1ncc(NC(=O)N(C)Cc2cccc(C#N)c2)cn1 ZINC000154726337 402227989 /nfs/dbraw/zinc/22/79/89/402227989.db2.gz CUDWLWYGFDFQNM-UHFFFAOYSA-N 0 0 310.361 2.078 10 30 DEEERN C=CCCOCCNC(=O)NCc1ccn(C2CCCC2)n1 ZINC000125987418 402259484 /nfs/dbraw/zinc/25/94/84/402259484.db2.gz SALUXUUWIJXQKZ-UHFFFAOYSA-N 0 0 306.410 2.390 10 30 DEEERN COc1ccc(C)cc1-n1ccc(C(=O)N[C@H](C#N)C2CC2)n1 ZINC000108836482 402262606 /nfs/dbraw/zinc/26/26/06/402262606.db2.gz UJSCFGTUMCWTBA-CQSZACIVSA-N 0 0 310.357 2.221 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnns1 ZINC000068738998 402204605 /nfs/dbraw/zinc/20/46/05/402204605.db2.gz JSBQTJBTEBODJU-UHFFFAOYSA-N 0 0 304.331 2.275 10 30 DEEERN CC(C)COC1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000068897181 402208405 /nfs/dbraw/zinc/20/84/05/402208405.db2.gz RFNVQIOTYWTWFP-UHFFFAOYSA-N 0 0 302.440 2.147 10 30 DEEERN Cc1ncc(CN2CCN(C[C@@H](C#N)CCC#N)CC2)s1 ZINC000105902389 402210487 /nfs/dbraw/zinc/21/04/87/402210487.db2.gz ZSEJUATXNJKEAY-CQSZACIVSA-N 0 0 303.435 2.013 10 30 DEEERN Cc1n[nH]cc1CCCNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000068981563 402210967 /nfs/dbraw/zinc/21/09/67/402210967.db2.gz SAQMMVGKLVLBAN-CYBMUJFWSA-N 0 0 312.373 2.106 10 30 DEEERN CSCCCNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184580253 402279358 /nfs/dbraw/zinc/27/93/58/402279358.db2.gz YTCKWBCOICOTHP-UHFFFAOYSA-N 0 0 316.390 2.014 10 30 DEEERN Cn1cc(-c2cc(CN(CCC#N)Cc3ccccn3)on2)cn1 ZINC000185019021 402317114 /nfs/dbraw/zinc/31/71/14/402317114.db2.gz APZBCEUKBXEANM-UHFFFAOYSA-N 0 0 322.372 2.386 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CC[S@@](=O)C(CC)(CC)C1 ZINC000185279387 402341198 /nfs/dbraw/zinc/34/11/98/402341198.db2.gz AHFUHEPXYXMHIZ-OAQYLSRUSA-N 0 0 314.495 2.034 10 30 DEEERN CC(C)n1nnnc1CSCCOc1ccc(C#N)cc1 ZINC000176894460 402347315 /nfs/dbraw/zinc/34/73/15/402347315.db2.gz VXKOSYFBNLGSEA-UHFFFAOYSA-N 0 0 303.391 2.438 10 30 DEEERN C=CC1CCN(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000161484491 402389213 /nfs/dbraw/zinc/38/92/13/402389213.db2.gz VJBYFCXFCBZBBI-CQSZACIVSA-N 0 0 317.437 2.324 10 30 DEEERN Cc1sc(NC(=O)CN2[C@H](C)COC[C@@H]2C)c(C#N)c1C ZINC000177288476 402387898 /nfs/dbraw/zinc/38/78/98/402387898.db2.gz UIPOKMXCVZWOJB-AOOOYVTPSA-N 0 0 307.419 2.284 10 30 DEEERN C[C@@H](c1nccs1)N1CCN(Cc2ccc(C#N)o2)CC1 ZINC000185617436 402365472 /nfs/dbraw/zinc/36/54/72/402365472.db2.gz FDWGCDNHFMKUPQ-LBPRGKRZSA-N 0 0 302.403 2.487 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000185712720 402370712 /nfs/dbraw/zinc/37/07/12/402370712.db2.gz STTUBQYFEGEWRX-CQSZACIVSA-N 0 0 315.373 2.113 10 30 DEEERN COCCC(C)(C)CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000185716217 402371315 /nfs/dbraw/zinc/37/13/15/402371315.db2.gz YMTQQHZYIVPKID-UHFFFAOYSA-N 0 0 319.405 2.299 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000161169125 402375811 /nfs/dbraw/zinc/37/58/11/402375811.db2.gz JCOWQVHPYQSJIB-HUUCEWRRSA-N 0 0 318.417 2.371 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(Cl)c(OCC)c(OC)c1 ZINC000185865816 402384119 /nfs/dbraw/zinc/38/41/19/402384119.db2.gz SJLWSROSUYPCTG-NSHDSACASA-N 0 0 313.781 2.414 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000185873144 402384604 /nfs/dbraw/zinc/38/46/04/402384604.db2.gz SARJCDJOIYICQI-GXTWGEPZSA-N 0 0 314.385 2.433 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnc(-c2ccc(OC)cc2)s1 ZINC000185876222 402385377 /nfs/dbraw/zinc/38/53/77/402385377.db2.gz NYZKMNAIZLGKGG-GFCCVEGCSA-N 0 0 318.398 2.486 10 30 DEEERN C=CC[C@@H](CO)NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000185887489 402385602 /nfs/dbraw/zinc/38/56/02/402385602.db2.gz APXMHAPFEZAJQC-VIFPVBQESA-N 0 0 304.173 2.425 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCOc1ccc2ccccc2c1 ZINC000185270666 402339691 /nfs/dbraw/zinc/33/96/91/402339691.db2.gz ZNMBBFXLPKNYJC-INIZCTEOSA-N 0 0 314.385 2.455 10 30 DEEERN COc1cccc(OCCCNC(=O)c2cc(C#N)cn2C)c1 ZINC000177420683 402400309 /nfs/dbraw/zinc/40/03/09/402400309.db2.gz ZUOJZCMHQBGOSE-UHFFFAOYSA-N 0 0 313.357 2.104 10 30 DEEERN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C#N)C2CC2)cc1SC ZINC000161832173 402400746 /nfs/dbraw/zinc/40/07/46/402400746.db2.gz PIZVLGNYIARZJW-JTQLQIEISA-N 0 0 321.358 2.357 10 30 DEEERN C#C[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000186108841 402402678 /nfs/dbraw/zinc/40/26/78/402402678.db2.gz CFYGMXAWFSYCHT-FUDCBSFHSA-N 0 0 321.421 2.238 10 30 DEEERN COc1ccccc1O[C@H](C)CNC(=O)c1cc(C#N)cn1C ZINC000177477619 402407146 /nfs/dbraw/zinc/40/71/46/402407146.db2.gz QBSUPHSOHOOSEF-GFCCVEGCSA-N 0 0 313.357 2.103 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000186226029 402412667 /nfs/dbraw/zinc/41/26/67/402412667.db2.gz YDHXIVMHOYBGIS-HUUCEWRRSA-N 0 0 321.396 2.031 10 30 DEEERN COc1cc(C#N)cc(Cl)c1OC(=O)CCc1ccnn1C ZINC000186639839 402450459 /nfs/dbraw/zinc/45/04/59/402450459.db2.gz YYQHHKOPQAIRLB-UHFFFAOYSA-N 0 0 319.748 2.492 10 30 DEEERN COc1ccc(CN2C(=O)N[C@](C)(CC(C)C)C2=O)cc1C#N ZINC000162337100 402416536 /nfs/dbraw/zinc/41/65/36/402416536.db2.gz ZVWDBTNAPIDLJJ-QGZVFWFLSA-N 0 0 315.373 2.423 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1csc(-c2ccco2)n1 ZINC000186493885 402436296 /nfs/dbraw/zinc/43/62/96/402436296.db2.gz LBFQEDNXSXXJHO-SNVBAGLBSA-N 0 0 307.375 2.139 10 30 DEEERN O=C(C#Cc1ccccc1)N1CCCN(c2ccccn2)CC1 ZINC000186511532 402438167 /nfs/dbraw/zinc/43/81/67/402438167.db2.gz IQYQXVCNPKANEY-UHFFFAOYSA-N 0 0 305.381 2.172 10 30 DEEERN C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000186711030 402458379 /nfs/dbraw/zinc/45/83/79/402458379.db2.gz URMIOTLDWUECAF-DZGCQCFKSA-N 0 0 308.397 2.250 10 30 DEEERN Cc1ccc(C[C@H](C)N(C)S(=O)(=O)CC2(C#N)CC2)cc1 ZINC000165425777 402476204 /nfs/dbraw/zinc/47/62/04/402476204.db2.gz INDHBWJGRORWFY-AWEZNQCLSA-N 0 0 306.431 2.491 10 30 DEEERN N#Cc1cc(NCc2cccnc2-n2cncn2)ccc1[N+](=O)[O-] ZINC000165709858 402477804 /nfs/dbraw/zinc/47/78/04/402477804.db2.gz DUGCNIJYNFGXFZ-UHFFFAOYSA-N 0 0 321.300 2.054 10 30 DEEERN N#CC1(CS(=O)(=O)N[C@H]2CCCc3cc(F)ccc32)CC1 ZINC000166235460 402482729 /nfs/dbraw/zinc/48/27/29/402482729.db2.gz PIJOSGNPFQOKPG-AWEZNQCLSA-N 0 0 308.378 2.426 10 30 DEEERN N#CCC[C@@H](NC(=O)NCC1(CCO)CC1)c1ccccc1 ZINC000187666204 402508150 /nfs/dbraw/zinc/50/81/50/402508150.db2.gz GSIVJYOZTIXSKX-OAHLLOKOSA-N 0 0 301.390 2.493 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(F)c(C#N)c3)[C@H]2C1 ZINC000246785618 402545239 /nfs/dbraw/zinc/54/52/39/402545239.db2.gz PIQJOMDTSOZGFG-HYVNUMGLSA-N 0 0 304.365 2.466 10 30 DEEERN C=CCOc1ccc(-c2nnc(S[C@@H]3CCNC3=O)o2)cc1 ZINC000179094201 402572295 /nfs/dbraw/zinc/57/22/95/402572295.db2.gz XTODGWRWCDXRAF-GFCCVEGCSA-N 0 0 317.370 2.282 10 30 DEEERN N#CCCCS(=O)(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000170887533 402538375 /nfs/dbraw/zinc/53/83/75/402538375.db2.gz RSOVIUFDIUOZPL-UHFFFAOYSA-N 0 0 303.387 2.160 10 30 DEEERN Cn1cc([C@@H]2CCCN2CC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000171413175 402585329 /nfs/dbraw/zinc/58/53/29/402585329.db2.gz HMGMJKVEBVUJAI-INIZCTEOSA-N 0 0 309.373 2.067 10 30 DEEERN CCOCCOCCN(C)c1nc(C(F)(F)F)ccc1C#N ZINC000190253675 402587740 /nfs/dbraw/zinc/58/77/40/402587740.db2.gz YIHZMDOZXCUYPT-UHFFFAOYSA-N 0 0 317.311 2.461 10 30 DEEERN N#CCCn1ccc(NC(=O)NCc2ccc(Cl)cn2)n1 ZINC000179638531 402596531 /nfs/dbraw/zinc/59/65/31/402596531.db2.gz RXLWXRWXWKIBSJ-UHFFFAOYSA-N 0 0 304.741 2.167 10 30 DEEERN CC[C@@H]1c2ccsc2CCN1C(=O)Cn1ccnc1C#N ZINC000179871021 402603166 /nfs/dbraw/zinc/60/31/66/402603166.db2.gz VARZZXNRTGBINQ-GFCCVEGCSA-N 0 0 300.387 2.352 10 30 DEEERN COC(=O)c1csc(NC(=O)c2cc(C#N)cn2C)c1C ZINC000180065632 402606512 /nfs/dbraw/zinc/60/65/12/402606512.db2.gz PGENWMDQEPRSJF-UHFFFAOYSA-N 0 0 303.343 2.306 10 30 DEEERN C[C@@H]1[C@H](C)OCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248765259 402608001 /nfs/dbraw/zinc/60/80/01/402608001.db2.gz RMQGNMHUJAWWBU-KEYYUXOJSA-N 0 0 313.401 2.163 10 30 DEEERN CCc1cc(NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)n[nH]1 ZINC000190925581 402631532 /nfs/dbraw/zinc/63/15/32/402631532.db2.gz AOLLRGXRAKSKDE-UHFFFAOYSA-N 0 0 317.736 2.074 10 30 DEEERN N#CCc1cccc(C(=O)N2CCO[C@H](c3nccs3)C2)c1 ZINC000171854093 402629079 /nfs/dbraw/zinc/62/90/79/402629079.db2.gz CWNRYEBKRXXGJG-AWEZNQCLSA-N 0 0 313.382 2.423 10 30 DEEERN C[C@@H]1CC(O)C[C@@H](C)N1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000191187716 402649154 /nfs/dbraw/zinc/64/91/54/402649154.db2.gz DTKXAAPLRLCMLM-VXGBXAGGSA-N 0 0 312.373 2.342 10 30 DEEERN C=CCNC(=O)CNC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000181644127 402652772 /nfs/dbraw/zinc/65/27/72/402652772.db2.gz TUYVIWFGQYCRGP-HZPDHXFCSA-N 0 0 300.402 2.332 10 30 DEEERN N#Cc1ccccc1OCC(=O)NCc1ccc(Cl)cn1 ZINC000181661993 402653134 /nfs/dbraw/zinc/65/31/34/402653134.db2.gz GCBADMGITNUCOE-UHFFFAOYSA-N 0 0 301.733 2.302 10 30 DEEERN C=CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000172431270 402655612 /nfs/dbraw/zinc/65/56/12/402655612.db2.gz BOCYFZYGHQQUOD-QWHCGFSZSA-N 0 0 302.374 2.025 10 30 DEEERN C=CCCCN(C)C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181735134 402655885 /nfs/dbraw/zinc/65/58/85/402655885.db2.gz QKJCHXCFEJJINC-ZDUSSCGKSA-N 0 0 305.426 2.324 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000182844484 402721134 /nfs/dbraw/zinc/72/11/34/402721134.db2.gz FKZQUBIBKHQWJP-GDBMZVCRSA-N 0 0 304.390 2.383 10 30 DEEERN Cc1cc(N2CC[C@H](Sc3ccccc3C#N)C2=O)n(C)n1 ZINC000173714673 402709607 /nfs/dbraw/zinc/70/96/07/402709607.db2.gz YVNDRFBYKJDRBC-AWEZNQCLSA-N 0 0 312.398 2.498 10 30 DEEERN CCCNC(=O)c1c(N=Cc2ccc(O)c(OC)c2)cnn1C ZINC000254722333 402671195 /nfs/dbraw/zinc/67/11/95/402671195.db2.gz RIHMDHVLMXKHSW-UHFFFAOYSA-N 0 0 316.361 2.025 10 30 DEEERN N#CC(=NOCC(=O)c1ccccc1)C(=O)NCc1ccccc1 ZINC000254871774 402671695 /nfs/dbraw/zinc/67/16/95/402671695.db2.gz JSEAZQPZKYJYJE-UHFFFAOYSA-N 0 0 321.336 2.082 10 30 DEEERN CN(C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)C1(C#N)CCC1 ZINC000173231156 402688811 /nfs/dbraw/zinc/68/88/11/402688811.db2.gz SQSCGJMDBPEHMQ-KGLIPLIRSA-N 0 0 312.369 2.466 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(C2CCCC2)nn1C ZINC000183072416 402736409 /nfs/dbraw/zinc/73/64/09/402736409.db2.gz JOEDBORIIDPEBF-UHFFFAOYSA-N 0 0 318.421 2.441 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCOc1ccc(C(C)C)cc1 ZINC000183142241 402742550 /nfs/dbraw/zinc/74/25/50/402742550.db2.gz BZAAREJROATFHT-HNNXBMFYSA-N 0 0 306.406 2.425 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)COc1c(C)cccc1C ZINC000183209578 402747534 /nfs/dbraw/zinc/74/75/34/402747534.db2.gz ICUQTIGNBLWWIR-LSDHHAIUSA-N 0 0 306.406 2.307 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1sccc1Br ZINC000183262703 402751560 /nfs/dbraw/zinc/75/15/60/402751560.db2.gz ADNLSQSXNXTMDE-MRVPVSSYSA-N 0 0 319.224 2.247 10 30 DEEERN N#Cc1cc(C(=O)NC2CCN(c3ccccc3)CC2)ccn1 ZINC000192848434 402753302 /nfs/dbraw/zinc/75/33/02/402753302.db2.gz OFGLTNCGJZVIBB-UHFFFAOYSA-N 0 0 306.369 2.352 10 30 DEEERN N#Cc1cc(C(=O)N[C@H]2CCCN(c3ccccc3)C2)ccn1 ZINC000193274009 402769166 /nfs/dbraw/zinc/76/91/66/402769166.db2.gz JKHFTVWHVZWYID-HNNXBMFYSA-N 0 0 306.369 2.352 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000183836273 402800969 /nfs/dbraw/zinc/80/09/69/402800969.db2.gz ARCKURLQTMPMCE-MGPQQGTHSA-N 0 0 300.358 2.370 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000183937904 402806568 /nfs/dbraw/zinc/80/65/68/402806568.db2.gz BVVDQQCEDRJDPN-ZYHUDNBSSA-N 0 0 321.327 2.126 10 30 DEEERN C[C@@H](NC(=O)c1ccnc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000195039720 402828279 /nfs/dbraw/zinc/82/82/79/402828279.db2.gz BZVFVZKUDPTRNG-LLVKDONJSA-N 0 0 309.325 2.215 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC(=O)OC(C)(C)C ZINC000195093552 402831254 /nfs/dbraw/zinc/83/12/54/402831254.db2.gz ZTGGAWZZTONXBU-GFCCVEGCSA-N 0 0 318.373 2.126 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000184262304 402831244 /nfs/dbraw/zinc/83/12/44/402831244.db2.gz LRGTZMOCCFIOKR-ZIAGYGMSSA-N 0 0 317.437 2.206 10 30 DEEERN C[C@@H]1OCC[C@H]1S(=O)(=O)Oc1ccc(C#N)cc1Cl ZINC000184317993 402834791 /nfs/dbraw/zinc/83/47/91/402834791.db2.gz ZGWATSCBVJRRPS-QPUJVOFHSA-N 0 0 301.751 2.098 10 30 DEEERN N#Cc1cccc(C#N)c1N[C@H]1CCCN(c2ncccn2)C1 ZINC000195200970 402836632 /nfs/dbraw/zinc/83/66/32/402836632.db2.gz MLQLYHIFMUNGOH-HNNXBMFYSA-N 0 0 304.357 2.301 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)Cc2ccccc2F)cn1 ZINC000183680980 402788124 /nfs/dbraw/zinc/78/81/24/402788124.db2.gz WXFANXKLNKLZLW-UHFFFAOYSA-N 0 0 321.315 2.459 10 30 DEEERN C=CCOc1cccc(NC(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000175963362 402845153 /nfs/dbraw/zinc/84/51/53/402845153.db2.gz RUFZJFORKNDCAC-AWEZNQCLSA-N 0 0 313.361 2.500 10 30 DEEERN CC(C)CCOCCNC(=O)NCCOc1ccc(C#N)cc1 ZINC000175979327 402845975 /nfs/dbraw/zinc/84/59/75/402845975.db2.gz LRQVNSYNANKRSK-UHFFFAOYSA-N 0 0 319.405 2.299 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000273282330 402990693 /nfs/dbraw/zinc/99/06/93/402990693.db2.gz APFYREXPWKOCKW-CQSZACIVSA-N 0 0 319.405 2.273 10 30 DEEERN C=CC[C@H](CO)NC(=O)COc1c(Cl)cccc1Cl ZINC000273361011 402997964 /nfs/dbraw/zinc/99/79/64/402997964.db2.gz AGYZXJIITUMRTN-SECBINFHSA-N 0 0 304.173 2.425 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccccc1C(F)(F)F ZINC000273398045 403001404 /nfs/dbraw/zinc/00/14/04/403001404.db2.gz OPIXUEFWLNDXKH-LLVKDONJSA-N 0 0 302.296 2.442 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000281602123 403073808 /nfs/dbraw/zinc/07/38/08/403073808.db2.gz RXCBWEAPYRFDAK-CABCVRRESA-N 0 0 319.453 2.351 10 30 DEEERN CN1CCO[C@H](CN(CC2CC2)c2ncc(C#N)cc2Cl)C1 ZINC000275705696 403117555 /nfs/dbraw/zinc/11/75/55/403117555.db2.gz NMRXVOWROTVSQN-AWEZNQCLSA-N 0 0 320.824 2.154 10 30 DEEERN Cn1cncc1[C@H]1C[C@H](NC(=O)C2(C#N)CCCCC2)CCO1 ZINC000276345377 403166067 /nfs/dbraw/zinc/16/60/67/403166067.db2.gz QUNUTSLHJLWRQO-UKRRQHHQSA-N 0 0 316.405 2.230 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CC[C@@](C)(C(=O)OC)C1 ZINC000282322928 403143536 /nfs/dbraw/zinc/14/35/36/403143536.db2.gz QHZLVUQMBCNBPI-QGZVFWFLSA-N 0 0 320.437 2.442 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000277465626 403220343 /nfs/dbraw/zinc/22/03/43/403220343.db2.gz MYAVDGZSCRSAGL-AWEZNQCLSA-N 0 0 306.369 2.107 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@H](C)c2cn[nH]c2)cc1OC ZINC000270530630 403198707 /nfs/dbraw/zinc/19/87/07/403198707.db2.gz VJMBLKNEBWWLGA-LLVKDONJSA-N 0 0 301.346 2.474 10 30 DEEERN C=CC[C@@H]1N(C(=O)N[C@H](C)Cn2cncn2)CCCC1(C)C ZINC000277755924 403253508 /nfs/dbraw/zinc/25/35/08/403253508.db2.gz QPWTVBHAPHMOMR-KGLIPLIRSA-N 0 0 305.426 2.443 10 30 DEEERN C=CC[C@H](C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1)c1ccccc1 ZINC000342697368 403312759 /nfs/dbraw/zinc/31/27/59/403312759.db2.gz LPFAOTXRKAJDJD-HIFRSBDPSA-N 0 0 321.442 2.428 10 30 DEEERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1cnccc1C#N)CC2 ZINC000342762275 403340622 /nfs/dbraw/zinc/34/06/22/403340622.db2.gz UZBPQKGFAKGRBP-UHFFFAOYSA-N 0 0 319.364 2.397 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCc1ccc(C)cc1C ZINC000342960000 403411909 /nfs/dbraw/zinc/41/19/09/403411909.db2.gz ATLFZYVRDUCNPO-UHFFFAOYSA-N 0 0 302.418 2.387 10 30 DEEERN C=CCCCCNC(=O)C(=O)N[C@@H]1CCc2c1cccc2F ZINC000343093213 403459997 /nfs/dbraw/zinc/45/99/97/403459997.db2.gz GNFXDTARUYNZMT-OAHLLOKOSA-N 0 0 304.365 2.402 10 30 DEEERN C=CCOCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000343299730 403530662 /nfs/dbraw/zinc/53/06/62/403530662.db2.gz MRYFWRQZIBWPOT-GOEBONIOSA-N 0 0 310.344 2.029 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)Nc1cc(F)cc(F)c1F ZINC000293668628 403533006 /nfs/dbraw/zinc/53/30/06/403533006.db2.gz MRVIDUHCGUIKPT-UHFFFAOYSA-N 0 0 300.280 2.467 10 30 DEEERN C=CCCN(C)C(=O)c1cnn(-c2ccc(OCC)nn2)c1C ZINC000346828480 403604155 /nfs/dbraw/zinc/60/41/55/403604155.db2.gz UIMDWLADWFWGQY-UHFFFAOYSA-N 0 0 315.377 2.018 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCNc1ccccn1 ZINC000287327780 403575861 /nfs/dbraw/zinc/57/58/61/403575861.db2.gz KIHTVNTXDYVZAX-KRWDZBQOSA-N 0 0 322.412 2.427 10 30 DEEERN C=CCCCCCCNC(=O)N1CCN(c2cccnn2)CC1 ZINC000287497187 403611441 /nfs/dbraw/zinc/61/14/41/403611441.db2.gz VQIJQWAYZWQWSH-UHFFFAOYSA-N 0 0 317.437 2.445 10 30 DEEERN C=CCC(F)(F)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000294045681 403632564 /nfs/dbraw/zinc/63/25/64/403632564.db2.gz IZSDAKOTPPSYMY-CYBMUJFWSA-N 0 0 310.344 2.014 10 30 DEEERN O[C@@]1(C(F)(F)F)CCN(c2c(F)c(F)nc(F)c2F)C1 ZINC000301600757 403652449 /nfs/dbraw/zinc/65/24/49/403652449.db2.gz IUYCYJWRJLOOOM-VIFPVBQESA-N 0 0 304.165 2.142 10 30 DEEERN C=CCC(C)(C)C(=O)N[C@H](C(=O)OCc1ccccc1)[C@H](C)O ZINC000294147897 403659192 /nfs/dbraw/zinc/65/91/92/403659192.db2.gz UOWLSUMDRNKZMS-ZFWWWQNUSA-N 0 0 319.401 2.198 10 30 DEEERN C=CCSCCNC(=O)N1CC=C(c2ccnn2C)CC1 ZINC000287836123 403675992 /nfs/dbraw/zinc/67/59/92/403675992.db2.gz NYASTDSZFWUPRQ-UHFFFAOYSA-N 0 0 306.435 2.138 10 30 DEEERN C#CCO[C@H](C)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000294310257 403699508 /nfs/dbraw/zinc/69/95/08/403699508.db2.gz GEIPQOUXHCCKFU-MFKMUULPSA-N 0 0 321.174 2.168 10 30 DEEERN C=CC[C@H](CO)Nc1c(Br)cncc1[N+](=O)[O-] ZINC000302140347 403707367 /nfs/dbraw/zinc/70/73/67/403707367.db2.gz OOTOOJYRECICJX-SSDOTTSWSA-N 0 0 302.128 2.101 10 30 DEEERN COC[C@H]1C[C@H](OC)CN1c1nc(C(F)(F)F)ccc1C#N ZINC000343735940 403712356 /nfs/dbraw/zinc/71/23/56/403712356.db2.gz GVFZHCIBFOXTJH-MNOVXSKESA-N 0 0 315.295 2.212 10 30 DEEERN COC(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000302738542 403719461 /nfs/dbraw/zinc/71/94/61/403719461.db2.gz QCPIQZODDBBKHQ-UHFFFAOYSA-N 0 0 312.285 2.260 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000288164437 403737418 /nfs/dbraw/zinc/73/74/18/403737418.db2.gz MFXMZYWTCLIAEC-GOSISDBHSA-N 0 0 311.381 2.258 10 30 DEEERN Cc1nsc(NC(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)c1C#N ZINC000333813576 403870780 /nfs/dbraw/zinc/87/07/80/403870780.db2.gz HKFIODDQCVPBNE-MNOVXSKESA-N 0 0 306.391 2.212 10 30 DEEERN C=CCN(CCOC)CC(=O)Nc1nc2c(s1)CCCC2 ZINC000361994815 403916128 /nfs/dbraw/zinc/91/61/28/403916128.db2.gz AMIOEHUJICSMLM-UHFFFAOYSA-N 0 0 309.435 2.095 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC(CO)(c2ccccc2)CC1 ZINC000295454421 403933654 /nfs/dbraw/zinc/93/36/54/403933654.db2.gz XRSNNGYKAHYHAI-UHFFFAOYSA-N 0 0 309.409 2.202 10 30 DEEERN C=CCN(C(=O)[C@H](NC(=O)c1ccccn1)C(C)C)C1CC1 ZINC000347903539 403945063 /nfs/dbraw/zinc/94/50/63/403945063.db2.gz AGQWHMLRTYZOFW-OAHLLOKOSA-N 0 0 301.390 2.013 10 30 DEEERN C=C[C@H](C)NC(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000362368680 403948003 /nfs/dbraw/zinc/94/80/03/403948003.db2.gz DCENDWHFZSHXKZ-AWEZNQCLSA-N 0 0 311.385 2.270 10 30 DEEERN C=C[C@H](C)NC(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000362371608 403948358 /nfs/dbraw/zinc/94/83/58/403948358.db2.gz SQSBUFQLCJWAPS-AWEZNQCLSA-N 0 0 315.417 2.413 10 30 DEEERN COC(=O)c1cc(C#N)cc(I)c1C ZINC000307555716 403953813 /nfs/dbraw/zinc/95/38/13/403953813.db2.gz IRGDWZYWAPTQQK-UHFFFAOYSA-N 0 0 301.083 2.258 10 30 DEEERN C=CCOc1cccc(NC(=O)NOCCCC(=O)OC)c1 ZINC000289646186 403989736 /nfs/dbraw/zinc/98/97/36/403989736.db2.gz LDEDGKDEXACZLG-UHFFFAOYSA-N 0 0 308.334 2.258 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000344231911 403994074 /nfs/dbraw/zinc/99/40/74/403994074.db2.gz OWSGVFRJVFVVCR-INIZCTEOSA-N 0 0 315.369 2.072 10 30 DEEERN C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@@H](C#N)C2)o1 ZINC000362873291 403996218 /nfs/dbraw/zinc/99/62/18/403996218.db2.gz UBCDUVOOQBLHLI-HTOAHKCRSA-N 0 0 300.358 2.257 10 30 DEEERN C=CCC[C@@H](NC(=O)C(=O)N(C)CCCCO)c1ccccc1 ZINC000289456047 403971787 /nfs/dbraw/zinc/97/17/87/403971787.db2.gz VWEFYLDFIJZYKV-MRXNPFEDSA-N 0 0 318.417 2.041 10 30 DEEERN C=CCCOCCN1C(=O)N[C@H](Cc2cccc(Cl)c2)C1=O ZINC000348605848 404082872 /nfs/dbraw/zinc/08/28/72/404082872.db2.gz LZLWIWUUYNKRBK-CQSZACIVSA-N 0 0 322.792 2.396 10 30 DEEERN CC1(C#N)CCN(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000369409875 404083118 /nfs/dbraw/zinc/08/31/18/404083118.db2.gz UOTRAMWOUKBMJF-CZUORRHYSA-N 0 0 323.462 2.376 10 30 DEEERN C=CCN1C(=O)N=NC1SCC(=O)Nc1cccc(C)c1 ZINC000348141002 404044699 /nfs/dbraw/zinc/04/46/99/404044699.db2.gz CTQSTZRNRWCSAM-UHFFFAOYSA-N 0 0 304.375 2.209 10 30 DEEERN Cc1ccc(C(C)(C)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000363080216 404063558 /nfs/dbraw/zinc/06/35/58/404063558.db2.gz XCQRHEKBYSVMOZ-KRWDZBQOSA-N 0 0 311.429 2.471 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CCN1C1CC1 ZINC000363080022 404064026 /nfs/dbraw/zinc/06/40/26/404064026.db2.gz QYUUSPWNMOVPPT-IXDOHACOSA-N 0 0 313.376 2.128 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(c3ncc(Cl)cn3)C2)n1 ZINC000328610259 404113771 /nfs/dbraw/zinc/11/37/71/404113771.db2.gz HEEVUTYJIAPENC-LLVKDONJSA-N 0 0 306.757 2.386 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N1C[C@@H](C)OC(C)(C)C1)CCC2 ZINC000328654895 404124175 /nfs/dbraw/zinc/12/41/75/404124175.db2.gz MGBFBAULBLIVMQ-KGLIPLIRSA-N 0 0 320.437 2.482 10 30 DEEERN CCc1noc([C@@H](C)N2CC[C@H](n3ccc(NC(C)=O)n3)C2)n1 ZINC000328624743 404116526 /nfs/dbraw/zinc/11/65/26/404116526.db2.gz KDEWQOUDKHNZHH-PWSUYJOCSA-N 0 0 318.381 2.444 10 30 DEEERN C[C@H](NC(=O)NC[C@@H]1CCC[C@@H]1O)[C@@H]1COc2ccccc21 ZINC000328813919 404155743 /nfs/dbraw/zinc/15/57/43/404155743.db2.gz GADIKSMAQQZQEM-JURCDPSOSA-N 0 0 304.390 2.216 10 30 DEEERN C=CCCCCNC(=O)C(=O)N1CCc2cc(F)c(F)cc21 ZINC000352157006 404184233 /nfs/dbraw/zinc/18/42/33/404184233.db2.gz QNIFUNJOFTXJPU-UHFFFAOYSA-N 0 0 308.328 2.326 10 30 DEEERN [O-]C(=[NH+][C@@H]1CCCC(F)(F)C1)N1CCC[C@H]1Cn1ccnn1 ZINC000328970045 404186060 /nfs/dbraw/zinc/18/60/60/404186060.db2.gz AZSWLYJTCXLZTL-NEPJUHHUSA-N 0 0 313.352 2.234 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)C[C@@H]1CCCC[C@H]1O ZINC000329192003 404261214 /nfs/dbraw/zinc/26/12/14/404261214.db2.gz QPQDZWVXMSLRDS-YOKBYHGQSA-N 0 0 321.421 2.395 10 30 DEEERN C#Cc1ccc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000296496243 404274498 /nfs/dbraw/zinc/27/44/98/404274498.db2.gz NIKUIEWNDKZGQL-GVDBMIGSSA-N 0 0 310.397 2.425 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H](C)c1ccncc1OC ZINC000352325048 404289152 /nfs/dbraw/zinc/28/91/52/404289152.db2.gz MDRBOQHDPIAJNB-CHWSQXEVSA-N 0 0 319.405 2.128 10 30 DEEERN O=C(NC[C@@H]1COCCO1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000329405812 404328167 /nfs/dbraw/zinc/32/81/67/404328167.db2.gz ATPXACKCCNGJOW-UKRRQHHQSA-N 0 0 324.808 2.459 10 30 DEEERN Cc1cnn(CC(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000329441165 404336333 /nfs/dbraw/zinc/33/63/33/404336333.db2.gz BHQSEYBTFMLIAR-AWEZNQCLSA-N 0 0 301.394 2.483 10 30 DEEERN CCc1ocnc1C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000329501332 404357485 /nfs/dbraw/zinc/35/74/85/404357485.db2.gz HNMXZWJLGQBFGE-SNVBAGLBSA-N 0 0 303.366 2.272 10 30 DEEERN C=CCOc1ccc(C(=O)NCC[C@@H]2CCOC2)cc1OC ZINC000344711440 404323970 /nfs/dbraw/zinc/32/39/70/404323970.db2.gz DOOYDPDFQRHHSH-CYBMUJFWSA-N 0 0 305.374 2.416 10 30 DEEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000329396068 404325202 /nfs/dbraw/zinc/32/52/02/404325202.db2.gz VXXIOFXCSFIAKW-QLFBSQMISA-N 0 0 304.394 2.418 10 30 DEEERN C=CCCN(C)C(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000342186461 404429014 /nfs/dbraw/zinc/42/90/14/404429014.db2.gz JFPZFRLIULQWLV-ZDUSSCGKSA-N 0 0 314.389 2.003 10 30 DEEERN C=CC[C@H](CO)CNC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000342181111 404425019 /nfs/dbraw/zinc/42/50/19/404425019.db2.gz NOZBSVPPNREJSC-LBPRGKRZSA-N 0 0 318.348 2.324 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000342181108 404425864 /nfs/dbraw/zinc/42/58/64/404425864.db2.gz NOZBSVPPNREJSC-GFCCVEGCSA-N 0 0 318.348 2.324 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cc(-c3ccccc3)no2)CCN1C1CC1 ZINC000370967533 404432253 /nfs/dbraw/zinc/43/22/53/404432253.db2.gz GYDBLZRAXJXTQP-HNNXBMFYSA-N 0 0 322.368 2.154 10 30 DEEERN C=CCn1c([C@@H](C)CC)nnc1N(CCOC)[C@@H]1CCOC1 ZINC000350650921 404433124 /nfs/dbraw/zinc/43/31/24/404433124.db2.gz ATHAKAYYCQVFBL-UONOGXRCSA-N 0 0 308.426 2.219 10 30 DEEERN O=C(N[C@H]1[C@@H]2COC[C@@H]21)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000330001912 404523129 /nfs/dbraw/zinc/52/31/29/404523129.db2.gz YKWQLXBFZNSYCB-BVIHXZOGSA-N 0 0 312.373 2.259 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H](O)[C@@H]1C ZINC000297083451 404444893 /nfs/dbraw/zinc/44/48/93/404444893.db2.gz XCNLPOQMZBNAAR-FZMZJTMJSA-N 0 0 306.337 2.215 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1CCC(=O)[C@H](C)C1 ZINC000356336071 404456491 /nfs/dbraw/zinc/45/64/91/404456491.db2.gz ASTRCLLSNGKJKM-GFCCVEGCSA-N 0 0 303.358 2.311 10 30 DEEERN C=CCOc1ccccc1CN1CCO[C@H](C(=O)C2CC2)C1 ZINC000356338656 404457950 /nfs/dbraw/zinc/45/79/50/404457950.db2.gz NADKTZCVEDFOBN-KRWDZBQOSA-N 0 0 301.386 2.431 10 30 DEEERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000329819442 404461481 /nfs/dbraw/zinc/46/14/81/404461481.db2.gz GNYWNQKMARHJAB-OSAQELSMSA-N 0 0 322.430 2.001 10 30 DEEERN C=CCCN(C)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000342241889 404461923 /nfs/dbraw/zinc/46/19/23/404461923.db2.gz VGNPWTVOIQCCGD-GDBMZVCRSA-N 0 0 315.417 2.394 10 30 DEEERN C=CCCN(C)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000342241893 404462116 /nfs/dbraw/zinc/46/21/16/404462116.db2.gz VGNPWTVOIQCCGD-GOEBONIOSA-N 0 0 315.417 2.394 10 30 DEEERN CC#CCCCC(=O)N(C)C1CCN(c2cnccn2)CC1 ZINC000364597837 404463159 /nfs/dbraw/zinc/46/31/59/404463159.db2.gz GUDRSOYHTYCLHA-UHFFFAOYSA-N 0 0 300.406 2.097 10 30 DEEERN C[C@H]1OCC[C@H]1NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000330203136 404583813 /nfs/dbraw/zinc/58/38/13/404583813.db2.gz AMNUOZNRFMBHNA-DFBGVHRSSA-N 0 0 308.353 2.290 10 30 DEEERN O=C(Nc1cccc2c1OCCC2=O)N1CCO[C@H](C2CC2)C1 ZINC000330126345 404560392 /nfs/dbraw/zinc/56/03/92/404560392.db2.gz IQLUYMOXICRGLP-HNNXBMFYSA-N 0 0 316.357 2.308 10 30 DEEERN O=C(CN1CCO[C@H](C2CC2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000330129582 404560412 /nfs/dbraw/zinc/56/04/12/404560412.db2.gz KAGODVLNWARTKF-RDJZCZTQSA-N 0 0 316.401 2.057 10 30 DEEERN O=C(CN1CCO[C@H](C2CC2)C1)Nc1nc2c(s1)CCC2 ZINC000330146006 404565507 /nfs/dbraw/zinc/56/55/07/404565507.db2.gz SORAHUOBSZKEAQ-LBPRGKRZSA-N 0 0 307.419 2.331 10 30 DEEERN C[S@@](=O)Cc1ccccc1NC(=O)N1CCO[C@H](C2CC2)C1 ZINC000330152070 404566826 /nfs/dbraw/zinc/56/68/26/404566826.db2.gz WNEWBIMJMUHKBM-OYHNWAKOSA-N 0 0 322.430 2.221 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)CCCCO ZINC000297894717 404652677 /nfs/dbraw/zinc/65/26/77/404652677.db2.gz HNVACLUXCSEBTK-NVXWUHKLSA-N 0 0 302.418 2.471 10 30 DEEERN O=C(CC1CCCC1)NCC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000330255816 404603663 /nfs/dbraw/zinc/60/36/63/404603663.db2.gz KENHUQIHWRNJRK-UHFFFAOYSA-N 0 0 317.389 2.209 10 30 DEEERN C=C(C)COc1cc(CN2CCO[C@@H]([C@H](C)O)C2)ccc1OC ZINC000414561841 404682386 /nfs/dbraw/zinc/68/23/86/404682386.db2.gz AJCQNTAGKXMEQN-KBXCAEBGSA-N 0 0 321.417 2.232 10 30 DEEERN C#CCCCCNC(=O)N[C@H](C)c1nnc2n1CCCCC2 ZINC000366070543 404751306 /nfs/dbraw/zinc/75/13/06/404751306.db2.gz CFJCPZNKANVNKY-CYBMUJFWSA-N 0 0 303.410 2.168 10 30 DEEERN CC[C@@H](CC#N)NC(=O)[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000358052217 404752303 /nfs/dbraw/zinc/75/23/03/404752303.db2.gz FEFRURXDUIMBJE-BBRMVZONSA-N 0 0 323.400 2.407 10 30 DEEERN C=CCOc1ccc(CN2CC[C@@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000353149979 404754736 /nfs/dbraw/zinc/75/47/36/404754736.db2.gz IKQJHOUHLMPABF-SJORKVTESA-N 0 0 319.401 2.404 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1C[C@H]1c1cccc(OCC)c1 ZINC000358290230 404759133 /nfs/dbraw/zinc/75/91/33/404759133.db2.gz QHDCLQHHMSPGAT-VNQPRFMTSA-N 0 0 304.390 2.177 10 30 DEEERN CC1(C#N)CCN(C(=O)CCNC(=O)c2ccsc2)CC1 ZINC000356967198 404722699 /nfs/dbraw/zinc/72/26/99/404722699.db2.gz FVGPZFCCLZVYCF-UHFFFAOYSA-N 0 0 305.403 2.020 10 30 DEEERN C=CCOc1cccnc1C(=O)NCc1ccc(C#N)c(OC)c1 ZINC000358974394 404780430 /nfs/dbraw/zinc/78/04/30/404780430.db2.gz QXIMTBUOZBSHBQ-UHFFFAOYSA-N 0 0 323.352 2.457 10 30 DEEERN C=CC1CCN(C(=O)C(=O)Nc2ccc3nc(C)cn3c2)CC1 ZINC000359242145 404788252 /nfs/dbraw/zinc/78/82/52/404788252.db2.gz SKOGGFKIETUPNO-UHFFFAOYSA-N 0 0 312.373 2.006 10 30 DEEERN C=C(Br)CN1CCCC[C@H]1CCS(C)(=O)=O ZINC000366438041 404791323 /nfs/dbraw/zinc/79/13/23/404791323.db2.gz LDWWYXSHIXVIMK-NSHDSACASA-N 0 0 310.257 2.184 10 30 DEEERN C=CCOc1ccc(CNC(=O)NC[C@@H](CO)C2CC2)cc1 ZINC000359469362 404794222 /nfs/dbraw/zinc/79/42/22/404794222.db2.gz GULABJRPUVJJOV-HNNXBMFYSA-N 0 0 304.390 2.069 10 30 DEEERN C=CC[C@@H](C)NC(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000360467435 404828892 /nfs/dbraw/zinc/82/88/92/404828892.db2.gz FVTMDSDQIUVPEI-ZBFHGGJFSA-N 0 0 304.390 2.440 10 30 DEEERN C=CCOCCCC(=O)N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000366802624 404849988 /nfs/dbraw/zinc/84/99/88/404849988.db2.gz QQPLIUVOPNCSHQ-VYDXJSESSA-N 0 0 311.422 2.154 10 30 DEEERN C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](C#N)C1CCCCC1 ZINC000361143543 404941675 /nfs/dbraw/zinc/94/16/75/404941675.db2.gz VHKMWDIRKAQRSV-XJKSGUPXSA-N 0 0 313.401 2.394 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC000367349949 405019809 /nfs/dbraw/zinc/01/98/09/405019809.db2.gz WIUWIHFBQGTZSG-IAGOWNOFSA-N 0 0 307.397 2.196 10 30 DEEERN CO[C@H](C)[C@H](C)NC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000367241200 404979157 /nfs/dbraw/zinc/97/91/57/404979157.db2.gz YWHSXAQNDKXNRT-UONOGXRCSA-N 0 0 316.405 2.072 10 30 DEEERN COc1cc(CC(=O)NCC2CCC(C#N)CC2)ccc1O ZINC000451443444 404998904 /nfs/dbraw/zinc/99/89/04/404998904.db2.gz CTTVTUZICZQDKK-UHFFFAOYSA-N 0 0 302.374 2.389 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408066578 405102784 /nfs/dbraw/zinc/10/27/84/405102784.db2.gz ZQYDTBTZXJBFTE-MGPQQGTHSA-N 0 0 320.414 2.012 10 30 DEEERN N#Cc1ccc(F)cc1CN1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408041969 405097119 /nfs/dbraw/zinc/09/71/19/405097119.db2.gz FLVJDGBQKAIURC-KZNAEPCWSA-N 0 0 318.392 2.449 10 30 DEEERN N#Cc1ccc(F)cc1CN1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408041964 405097233 /nfs/dbraw/zinc/09/72/33/405097233.db2.gz FLVJDGBQKAIURC-KSZLIROESA-N 0 0 318.392 2.449 10 30 DEEERN C=CCN(C(=O)N[C@H](C)c1nnc2n1CCCCC2)C1CC1 ZINC000367413465 405041583 /nfs/dbraw/zinc/04/15/83/405041583.db2.gz SLBZNLAEUAMOFX-GFCCVEGCSA-N 0 0 303.410 2.426 10 30 DEEERN C=CC(C)(C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000451808229 405045096 /nfs/dbraw/zinc/04/50/96/405045096.db2.gz IWDHHCJQLCMNCK-UHFFFAOYSA-N 0 0 314.363 2.094 10 30 DEEERN CC(C)C(=O)N[C@H]1CCCN(c2nc3c(cc2C#N)CCC3)C1 ZINC000407972503 405080087 /nfs/dbraw/zinc/08/00/87/405080087.db2.gz UKPPAHOAZLTVNF-HNNXBMFYSA-N 0 0 312.417 2.183 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccn(C)c1=O ZINC000354180674 405084988 /nfs/dbraw/zinc/08/49/88/405084988.db2.gz OKKCATCITSUKFP-UHFFFAOYSA-N 0 0 312.369 2.222 10 30 DEEERN C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CCO1 ZINC000408074205 405105862 /nfs/dbraw/zinc/10/58/62/405105862.db2.gz OWSMFRYNRNPQJF-KOLCDFICSA-N 0 0 314.794 2.057 10 30 DEEERN C=CCCn1cc(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)nn1 ZINC000424540360 405112932 /nfs/dbraw/zinc/11/29/32/405112932.db2.gz KJVGDLBMCXIBHQ-NSHDSACASA-N 0 0 318.352 2.493 10 30 DEEERN C[C@H]1CCOCCN1C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000367664383 405117333 /nfs/dbraw/zinc/11/73/33/405117333.db2.gz SRDMPNKSKKUQRM-ZDUSSCGKSA-N 0 0 302.374 2.353 10 30 DEEERN Cc1ccc2c(c1)N(S(=O)(=O)N(C)[C@@H](C)CC#N)C[C@@H](C)O2 ZINC000282965418 292334962 /nfs/dbraw/zinc/33/49/62/292334962.db2.gz KTSGRVVTZXCRRO-QWHCGFSZSA-N 0 0 323.418 2.061 10 30 DEEERN C=CCC1(C(=O)N2CCc3cc[nH]c(=O)c3C2)CCOCC1 ZINC000424809140 405184830 /nfs/dbraw/zinc/18/48/30/405184830.db2.gz VNJWKOOKKJGBAQ-UHFFFAOYSA-N 0 0 302.374 2.045 10 30 DEEERN C=CCOC[C@@H](NC(=O)c1cc(C)ccc1C1CC1)C(=O)OC ZINC000424846816 405194948 /nfs/dbraw/zinc/19/49/48/405194948.db2.gz XZHBWHCBJFLJFD-MRXNPFEDSA-N 0 0 317.385 2.346 10 30 DEEERN N#Cc1ccc(C(=O)N2CCC[C@]3(CCCOC3)C2)cc1O ZINC000408425297 405202851 /nfs/dbraw/zinc/20/28/51/405202851.db2.gz FLWVOLIBHXMKLG-KRWDZBQOSA-N 0 0 300.358 2.297 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)Oc1cccc(C(C)=O)c1 ZINC000424933375 405215250 /nfs/dbraw/zinc/21/52/50/405215250.db2.gz QEJSEWUNCWTXGZ-KMFMINBZSA-N 0 0 317.385 2.364 10 30 DEEERN C=CCC[C@H](NC(=O)c1cc2nc[nH]c2cc1F)C(=O)OCC ZINC000425312682 405271991 /nfs/dbraw/zinc/27/19/91/405271991.db2.gz KHTZNSYRCYPIIH-LBPRGKRZSA-N 0 0 319.336 2.330 10 30 DEEERN CC(C)(C)c1cnc(S(=O)(=O)CCOCCC#N)s1 ZINC000453022166 405275402 /nfs/dbraw/zinc/27/54/02/405275402.db2.gz HLWNJTJEFAQFEB-UHFFFAOYSA-N 0 0 302.421 2.145 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000437935536 405224952 /nfs/dbraw/zinc/22/49/52/405224952.db2.gz RZFPCKMHSAQKDS-WCVJEAGWSA-N 0 0 324.465 2.406 10 30 DEEERN C=CCc1ccc(OCC(=O)N(C)CC2(CO)CC2)c(OC)c1 ZINC000438493185 405248584 /nfs/dbraw/zinc/24/85/84/405248584.db2.gz UVGSBQYBKUVXOD-UHFFFAOYSA-N 0 0 319.401 2.033 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)C)cc1 ZINC000425781207 405319742 /nfs/dbraw/zinc/31/97/42/405319742.db2.gz GPDKWCPKGKOXRP-HOCLYGCPSA-N 0 0 316.401 2.456 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1c(C)cccc1Cl ZINC000425797441 405320124 /nfs/dbraw/zinc/32/01/24/405320124.db2.gz VDQCSUKBSTWMIV-AAEUAGOBSA-N 0 0 322.792 2.294 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000425839251 405322961 /nfs/dbraw/zinc/32/29/61/405322961.db2.gz LVUROIKMHPAFPG-DABQJJPHSA-N 0 0 300.358 2.105 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1CCC(CC)CC1 ZINC000425877138 405326066 /nfs/dbraw/zinc/32/60/66/405326066.db2.gz WJMBEEWDPIHEQH-CKUJCDMFSA-N 0 0 322.449 2.026 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CCCCC)C(C)C ZINC000425909566 405328979 /nfs/dbraw/zinc/32/89/79/405328979.db2.gz PRYKSXIATZESTB-GJZGRUSLSA-N 0 0 310.438 2.121 10 30 DEEERN C=CCC1(CNC(=O)NCC(=O)NCc2ccco2)CCCC1 ZINC000454348236 405333554 /nfs/dbraw/zinc/33/35/54/405333554.db2.gz JHRMOWOLABZNAF-UHFFFAOYSA-N 0 0 319.405 2.332 10 30 DEEERN C=CCn1cc(CNC(=O)NCC2(C3CCC3)CCC2)nn1 ZINC000425569969 405304038 /nfs/dbraw/zinc/30/40/38/405304038.db2.gz LAYFNSOMQLICEJ-UHFFFAOYSA-N 0 0 303.410 2.234 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCOC)Cc1cccs1 ZINC000425582921 405305384 /nfs/dbraw/zinc/30/53/84/405305384.db2.gz OFPWEYDDYNVEIS-ZFWWWQNUSA-N 0 0 324.446 2.497 10 30 DEEERN C=CC(C)(C)CNC(=O)N1CCC(C(=O)N(CC)CC)CC1 ZINC000455359281 405400752 /nfs/dbraw/zinc/40/07/52/405400752.db2.gz AJFXUDSTXDZWGR-UHFFFAOYSA-N 0 0 309.454 2.489 10 30 DEEERN C=CCCc1ccccc1NC(=O)N1CC[C@@H](C(=O)NC)C1 ZINC000421115043 405448899 /nfs/dbraw/zinc/44/88/99/405448899.db2.gz HGZMQWCWTZFTHH-CQSZACIVSA-N 0 0 301.390 2.405 10 30 DEEERN CN(C[C@@H]1OCCc2ccccc21)C(=O)c1ccc(C#N)n1C ZINC000448857279 405456195 /nfs/dbraw/zinc/45/61/95/405456195.db2.gz PMLCCBOYYNZCNJ-KRWDZBQOSA-N 0 0 309.369 2.283 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000448929509 405465400 /nfs/dbraw/zinc/46/54/00/405465400.db2.gz MASAONPPRRJYIS-CFVMTHIKSA-N 0 0 319.401 2.342 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NC[C@H]1CCCCS1(=O)=O ZINC000633159214 405472734 /nfs/dbraw/zinc/47/27/34/405472734.db2.gz AVTQWTJOSSCRIJ-CYBMUJFWSA-N 0 0 316.467 2.245 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H](c2cnn(C)c2)C2(CO)CCC2)C1 ZINC000633162180 405476700 /nfs/dbraw/zinc/47/67/00/405476700.db2.gz YKBVDZPUOMMNJG-AWEZNQCLSA-N 0 0 303.406 2.096 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000633174127 405482970 /nfs/dbraw/zinc/48/29/70/405482970.db2.gz YSZKLVFLRFXXJM-INIZCTEOSA-N 0 0 324.513 2.304 10 30 DEEERN C=CCC[C@H](CO)NC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000456772372 405559083 /nfs/dbraw/zinc/55/90/83/405559083.db2.gz WRMUGAJPFLKYMU-QWHCGFSZSA-N 0 0 305.422 2.081 10 30 DEEERN CN(C)C(=O)C1(NC(=O)c2sccc2C#N)CCCCC1 ZINC000456105807 405500522 /nfs/dbraw/zinc/50/05/22/405500522.db2.gz STJAXUVOGGBSEX-UHFFFAOYSA-N 0 0 305.403 2.141 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1cnc2c(cnn2CC(C)C)c1 ZINC000456781441 405564780 /nfs/dbraw/zinc/56/47/80/405564780.db2.gz SLZUKIKYFKBNKW-HNNXBMFYSA-N 0 0 316.405 2.144 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1cnc2onc(C(C)C)c2c1 ZINC000456757457 405551546 /nfs/dbraw/zinc/55/15/46/405551546.db2.gz OAOQGRJKCHHIJN-LBPRGKRZSA-N 0 0 303.362 2.403 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000633410856 405628047 /nfs/dbraw/zinc/62/80/47/405628047.db2.gz FFSQNIZHCNRQBL-ZDUSSCGKSA-N 0 0 316.467 2.197 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000633410227 405628248 /nfs/dbraw/zinc/62/82/48/405628248.db2.gz IENIIQIGMTVFQM-CQSZACIVSA-N 0 0 324.469 2.376 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431460710 405628828 /nfs/dbraw/zinc/62/88/28/405628828.db2.gz YDRSNEBGYHXNNN-OAHLLOKOSA-N 0 0 314.389 2.023 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc2c1CCOC2 ZINC000633316701 405569053 /nfs/dbraw/zinc/56/90/53/405569053.db2.gz BNKCOHIBNJZXOX-YOEHRIQHSA-N 0 0 316.401 2.150 10 30 DEEERN C=CCn1cc(CNC(=O)N2CC(C)(C)[C@@H]2c2ccco2)nn1 ZINC000633318010 405570205 /nfs/dbraw/zinc/57/02/05/405570205.db2.gz KRZGWNPKKRJMKR-AWEZNQCLSA-N 0 0 315.377 2.350 10 30 DEEERN C=CCOc1ccc(CNC(=O)c2cn3cccnc3n2)cc1 ZINC000557365921 405594539 /nfs/dbraw/zinc/59/45/39/405594539.db2.gz JGZMEINUVYJFEN-UHFFFAOYSA-N 0 0 308.341 2.224 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1ccc(C)c(-c2cnn(C)c2)c1 ZINC000633360203 405594685 /nfs/dbraw/zinc/59/46/85/405594685.db2.gz ANXYRHVNIYASLW-INIZCTEOSA-N 0 0 313.401 2.452 10 30 DEEERN C=C(C)CN(CC)C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1n1cccn1 ZINC000458902137 405645374 /nfs/dbraw/zinc/64/53/74/405645374.db2.gz SMMHDCIWWBWQLM-KFWWJZLASA-N 0 0 306.410 2.209 10 30 DEEERN C=CCN(Cc1coc(C)n1)S(=O)(=O)c1ccc(OC)cc1 ZINC000580570386 405646832 /nfs/dbraw/zinc/64/68/32/405646832.db2.gz WFIAQPRVWVIPAW-UHFFFAOYSA-N 0 0 322.386 2.369 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCN(c2ncccn2)CC1 ZINC000633421543 405635854 /nfs/dbraw/zinc/63/58/54/405635854.db2.gz FMGDKNAQEHEYEE-UHFFFAOYSA-N 0 0 317.437 2.301 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000633421555 405635966 /nfs/dbraw/zinc/63/59/66/405635966.db2.gz FWBTYAJTISHBLO-CYBMUJFWSA-N 0 0 310.442 2.069 10 30 DEEERN C=C(C)CCNC(=O)N1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000458994360 405683835 /nfs/dbraw/zinc/68/38/35/405683835.db2.gz FSCJHJSZAPIJGD-LBPRGKRZSA-N 0 0 307.360 2.478 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCc2[nH]cnc2[C@H]1c1ccnn1C ZINC000633529669 405700026 /nfs/dbraw/zinc/70/00/26/405700026.db2.gz KXDJCZFGBINHDF-MLGOLLRUSA-N 0 0 313.405 2.220 10 30 DEEERN C=CCOc1cccc(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)c1 ZINC000449726283 405713191 /nfs/dbraw/zinc/71/31/91/405713191.db2.gz XBJRDUPJBSTQIF-IRXDYDNUSA-N 0 0 321.442 2.403 10 30 DEEERN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C#N)n2C)C12CCC2 ZINC000450138469 405752893 /nfs/dbraw/zinc/75/28/93/405752893.db2.gz AUCVVTQWFSHYSG-LSDHHAIUSA-N 0 0 301.390 2.316 10 30 DEEERN C=CCOCCCNC(=O)c1sc([C@@H]2CCOC2)nc1C ZINC000633627910 405754534 /nfs/dbraw/zinc/75/45/34/405754534.db2.gz ASNRXVIFOQFMTI-GFCCVEGCSA-N 0 0 310.419 2.278 10 30 DEEERN C=CCOC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C1CC1)C(=O)OC ZINC000583567135 405763343 /nfs/dbraw/zinc/76/33/43/405763343.db2.gz IROCTWWEXLMWSD-ZNMIVQPWSA-N 0 0 309.406 2.063 10 30 DEEERN C=CCC1(C(=O)N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)CCCCC1 ZINC000633882576 405888542 /nfs/dbraw/zinc/88/85/42/405888542.db2.gz IUQFVWXVYWTLNN-IAGOWNOFSA-N 0 0 318.417 2.024 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1ccccc1OCC(N)=O ZINC000633963679 405933435 /nfs/dbraw/zinc/93/34/35/405933435.db2.gz OWHBBGVHCGSKMJ-UHFFFAOYSA-N 0 0 304.390 2.273 10 30 DEEERN CCOC(=O)[C@H]1CN(c2ccc(Cl)cc2C#N)CC12COC2 ZINC000450560688 405956203 /nfs/dbraw/zinc/95/62/03/405956203.db2.gz FIGDQXJDAHFVJU-CYBMUJFWSA-N 0 0 320.776 2.228 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1ccccc1OC ZINC000636450245 405965000 /nfs/dbraw/zinc/96/50/00/405965000.db2.gz ISZQDBNBORUINB-UHFFFAOYSA-N 0 0 318.417 2.420 10 30 DEEERN COC(=O)c1ccc2c(c1)CCN2C(=O)Cc1cccc(C#N)c1 ZINC000531154502 405916064 /nfs/dbraw/zinc/91/60/64/405916064.db2.gz OHQYFDLZJBEFKZ-UHFFFAOYSA-N 0 0 320.348 2.477 10 30 DEEERN C=CCNC(=O)CNC(=O)Nc1nc(CC)c(C(C)(C)C)s1 ZINC000459707747 406012742 /nfs/dbraw/zinc/01/27/42/406012742.db2.gz QYVQYFHGNWILAV-UHFFFAOYSA-N 0 0 324.450 2.427 10 30 DEEERN C=CCOCCCC(=O)N[C@](C)(CO)Cc1ccccc1F ZINC000634279542 406080307 /nfs/dbraw/zinc/08/03/07/406080307.db2.gz PNMPNRBHYJKIPW-KRWDZBQOSA-N 0 0 309.381 2.218 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@H](c1ccccn1)C1CCC1 ZINC000636831420 406093140 /nfs/dbraw/zinc/09/31/40/406093140.db2.gz MDVZSKIYEJUWCU-HNNXBMFYSA-N 0 0 301.390 2.121 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC1(CO)CC2(CCC2)C1 ZINC000567448666 406096862 /nfs/dbraw/zinc/09/68/62/406096862.db2.gz STEIZCHTMNKFLZ-LSDHHAIUSA-N 0 0 322.449 2.210 10 30 DEEERN C=C(C)CCN(CCOC)S(=O)(=O)c1ccc(C#N)cc1 ZINC000505696228 406052593 /nfs/dbraw/zinc/05/25/93/406052593.db2.gz ZUPGEXWBZOVQPO-UHFFFAOYSA-N 0 0 308.403 2.162 10 30 DEEERN CCN(C[C@@H](C)C#N)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451111063 406054566 /nfs/dbraw/zinc/05/45/66/406054566.db2.gz ZVGAXOSFKPHZPP-NSHDSACASA-N 0 0 309.366 2.009 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1[nH]c2c(c1C)C(=O)CCC2 ZINC000564858236 406066234 /nfs/dbraw/zinc/06/62/34/406066234.db2.gz DDNBPWOLDIUFHC-FZMZJTMJSA-N 0 0 302.374 2.163 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000636753046 406072151 /nfs/dbraw/zinc/07/21/51/406072151.db2.gz XTYXRCVFPMABRI-MJBXVCDLSA-N 0 0 322.449 2.025 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCC[C@@H]1CCCCO1 ZINC000636755580 406073080 /nfs/dbraw/zinc/07/30/80/406073080.db2.gz HVHHPQMWUAHZOF-AWEZNQCLSA-N 0 0 310.438 2.170 10 30 DEEERN C=CCn1c(CC)nnc1N(C)Cc1c(C)nn(CC)c1C ZINC000634341874 406106998 /nfs/dbraw/zinc/10/69/98/406106998.db2.gz PHLSHTXKLBMRRU-UHFFFAOYSA-N 0 0 302.426 2.496 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1c(CC)noc1CC ZINC000636871093 406107480 /nfs/dbraw/zinc/10/74/80/406107480.db2.gz QXXJWUYGOVXAJV-UHFFFAOYSA-N 0 0 321.421 2.134 10 30 DEEERN C=CCNC(=O)Nc1ccc(NC[C@@H](O)COC(C)C)cc1 ZINC000567694418 406120886 /nfs/dbraw/zinc/12/08/86/406120886.db2.gz SLRJCZJGRWBDJY-OAHLLOKOSA-N 0 0 307.394 2.192 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@H]1CCO[C@@H]1C(=C)C ZINC000636936455 406127058 /nfs/dbraw/zinc/12/70/58/406127058.db2.gz MZVTZFUEMQHLGP-HUUCEWRRSA-N 0 0 322.449 2.192 10 30 DEEERN C=CCOCCCNS(=O)(=O)C[C@H]1CCCC(F)(F)C1 ZINC000632557312 406181570 /nfs/dbraw/zinc/18/15/70/406181570.db2.gz KNKFWCJTZKWJSD-LBPRGKRZSA-N 0 0 311.394 2.324 10 30 DEEERN C=CCn1c(SC[C@@H](O)C[C@](C)(O)C2CC2)nnc1C1CC1 ZINC000634637750 406201147 /nfs/dbraw/zinc/20/11/47/406201147.db2.gz BCIORFIUDFKRPM-BBRMVZONSA-N 0 0 323.462 2.346 10 30 DEEERN C=CCC1(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)CCC1 ZINC000519580178 406214127 /nfs/dbraw/zinc/21/41/27/406214127.db2.gz CAZANOUHVAXRNH-CYBMUJFWSA-N 0 0 319.426 2.420 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CCO ZINC000632663140 406219447 /nfs/dbraw/zinc/21/94/47/406219447.db2.gz VIHYIMKCFKCDCX-HUUCEWRRSA-N 0 0 324.465 2.105 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@H](CCOC)C1 ZINC000568755970 406221958 /nfs/dbraw/zinc/22/19/58/406221958.db2.gz WRCIMRNBJKLKKU-PMPSAXMXSA-N 0 0 310.438 2.426 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1 ZINC000637263102 406233515 /nfs/dbraw/zinc/23/35/15/406233515.db2.gz DWJZXMOJZNCWIP-DZGCQCFKSA-N 0 0 313.401 2.182 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCCC[C@H]1C[C@H](C)O ZINC000569018641 406223062 /nfs/dbraw/zinc/22/30/62/406223062.db2.gz CBCXTWMSURAKFY-GJZGRUSLSA-N 0 0 310.438 2.001 10 30 DEEERN C=C[C@](C)(O)CC(=O)N[C@H]1CC[C@H](Nc2ccccn2)CC1 ZINC000519643161 406227444 /nfs/dbraw/zinc/22/74/44/406227444.db2.gz MYYOIHHPXRUYOX-ZQIUZPCESA-N 0 0 303.406 2.248 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1cccnc1C ZINC000637091016 406174155 /nfs/dbraw/zinc/17/41/55/406174155.db2.gz PKCKHIPHTMNYRE-ZBFHGGJFSA-N 0 0 315.417 2.257 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCc1ccc(C(=O)OC)cc1)OCC ZINC000535905420 406245690 /nfs/dbraw/zinc/24/56/90/406245690.db2.gz KQNXQXBLLSQJBF-OAHLLOKOSA-N 0 0 305.374 2.461 10 30 DEEERN CCC[C@H](C#N)NC(=O)c1cc(C)n(-c2nc(C)cc(C)n2)n1 ZINC000535850445 406243543 /nfs/dbraw/zinc/24/35/43/406243543.db2.gz ZLJOZQVRFYODGR-CYBMUJFWSA-N 0 0 312.377 2.010 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000637321049 406257741 /nfs/dbraw/zinc/25/77/41/406257741.db2.gz DCJDPYBWFOLVRP-UONOGXRCSA-N 0 0 307.438 2.289 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCOCC2(CCOCC2)C1 ZINC000637321062 406257761 /nfs/dbraw/zinc/25/77/61/406257761.db2.gz DGUHJIARFPKEPQ-UHFFFAOYSA-N 0 0 310.438 2.427 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000637348078 406268659 /nfs/dbraw/zinc/26/86/59/406268659.db2.gz AHMPHYVECDKIIP-FAAHXZRKSA-N 0 0 306.793 2.214 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1[nH]ncc1C(F)(F)F ZINC000632841054 406285628 /nfs/dbraw/zinc/28/56/28/406285628.db2.gz ROXTWNMVPXADFD-LDYMZIIASA-N 0 0 303.284 2.140 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H]1CC ZINC000521197997 406335667 /nfs/dbraw/zinc/33/56/67/406335667.db2.gz OKQVVNLVIUPXEE-KBPBESRZSA-N 0 0 306.410 2.321 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@@H]1CCN(C(=O)NCC)C1 ZINC000633116835 406384437 /nfs/dbraw/zinc/38/44/37/406384437.db2.gz CDSUYSMEWNLMMQ-CYBMUJFWSA-N 0 0 310.442 2.082 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)NCC1([C@@H]2CCCCO2)CCC1 ZINC000637694289 406390923 /nfs/dbraw/zinc/39/09/23/406390923.db2.gz JNDHEYAJURKASJ-GJZGRUSLSA-N 0 0 310.438 2.352 10 30 DEEERN C=CCn1cc(CNC(=O)N(C)Cc2cc(C)ccc2C)nn1 ZINC000570446106 406394384 /nfs/dbraw/zinc/39/43/84/406394384.db2.gz BQOQIRQYULFOIZ-UHFFFAOYSA-N 0 0 313.405 2.423 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2O)C1 ZINC000633062271 406370015 /nfs/dbraw/zinc/37/00/15/406370015.db2.gz UJSXTPAXGUNPPE-NEPJUHHUSA-N 0 0 317.389 2.223 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC[C@H]2C2CC2)C1=O ZINC000570334104 406379207 /nfs/dbraw/zinc/37/92/07/406379207.db2.gz OQNHTZJZNYOJKG-XHSDSOJGSA-N 0 0 304.434 2.448 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cc(C)nn1CC ZINC000635262485 406479681 /nfs/dbraw/zinc/47/96/81/406479681.db2.gz YWMMKSIIGVBBHA-UHFFFAOYSA-N 0 0 306.410 2.259 10 30 DEEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1ccnn1CC1CCC1 ZINC000635150866 406441890 /nfs/dbraw/zinc/44/18/90/406441890.db2.gz RSBRCVKXASNUAY-ZDUSSCGKSA-N 0 0 304.394 2.093 10 30 DEEERN C=CCN(CCC#N)S(=O)(=O)c1cc(C)cc(C)c1OC ZINC000490111860 406453145 /nfs/dbraw/zinc/45/31/45/406453145.db2.gz FFNSZRRJYDPFPO-UHFFFAOYSA-N 0 0 308.403 2.402 10 30 DEEERN C=C(C)COc1cccc(NC(=O)[C@]2(C)CCN(C)C2=O)c1 ZINC000635482709 406556194 /nfs/dbraw/zinc/55/61/94/406556194.db2.gz MKKGCZSKSAMBCL-KRWDZBQOSA-N 0 0 302.374 2.448 10 30 DEEERN CC(C)OC(=O)CC[C@@H](C)NC(=O)Cc1cccc(C#N)c1 ZINC000525948198 406522335 /nfs/dbraw/zinc/52/23/35/406522335.db2.gz FUPJCZRKDWKDQR-CYBMUJFWSA-N 0 0 302.374 2.337 10 30 DEEERN C=CCn1c(CC(F)(F)F)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC000574156513 406780612 /nfs/dbraw/zinc/78/06/12/406780612.db2.gz BQWADDFPYZMBBO-GHMZBOCLSA-N 0 0 318.343 2.430 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2nccnc2cc1F ZINC000573713407 406775759 /nfs/dbraw/zinc/77/57/59/406775759.db2.gz QSTIOBBOWBXQIN-BONVTDFDSA-N 0 0 301.321 2.090 10 30 DEEERN CCOC(=O)Cc1cc([N+](=O)[O-])c(Br)cc1C#N ZINC000575383382 406807972 /nfs/dbraw/zinc/80/79/72/406807972.db2.gz DNQRDZGDQUNVKZ-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN CCOC(=O)Cc1ccc(C#N)c([N+](=O)[O-])c1Br ZINC000575383693 406808112 /nfs/dbraw/zinc/80/81/12/406808112.db2.gz ZNETVCWUNZREFT-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN CCOC(=O)Cc1ccc(C#N)c(OC(F)(F)F)c1C=O ZINC000575391553 406808963 /nfs/dbraw/zinc/80/89/63/406808963.db2.gz VIXPPPBZNUXCRD-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN CCOC(=O)Cc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1C#N ZINC000575395581 406808974 /nfs/dbraw/zinc/80/89/74/406808974.db2.gz IJEIOVKIURUYMS-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN CCOC(=O)Cc1c(OC(F)(F)F)ccc([N+](=O)[O-])c1C#N ZINC000575395483 406809007 /nfs/dbraw/zinc/80/90/07/406809007.db2.gz FMYKEJKMFVTRFF-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN CCOC(=O)Cc1ccc(C#N)c(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575395611 406809107 /nfs/dbraw/zinc/80/91/07/406809107.db2.gz JWDYRYXKHZXADQ-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN O=C(CS)Nc1ccc(I)cc1F ZINC000575569392 406812271 /nfs/dbraw/zinc/81/22/71/406812271.db2.gz DCXOYYZZIMKWDM-UHFFFAOYSA-N 0 0 311.119 2.299 10 30 DEEERN C=CCC[C@H](CO)NC(=O)NC[C@H]1CSc2ccccc2O1 ZINC000575984422 406827886 /nfs/dbraw/zinc/82/78/86/406827886.db2.gz UKMUQESLZAZCID-OLZOCXBDSA-N 0 0 322.430 2.166 10 30 DEEERN C=CCCCS(=O)(=O)NCc1cc(F)c(C#N)c(F)c1 ZINC000576172275 406829101 /nfs/dbraw/zinc/82/91/01/406829101.db2.gz GTJTZVHANSZXEY-UHFFFAOYSA-N 0 0 300.330 2.222 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000576222488 406829749 /nfs/dbraw/zinc/82/97/49/406829749.db2.gz SMMCEDHCKSLOPY-XQLPTFJDSA-N 0 0 308.422 2.177 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccc2c(c1)ncn2C ZINC000576356389 406830406 /nfs/dbraw/zinc/83/04/06/406830406.db2.gz APMGHHSYYDQHND-UHFFFAOYSA-N 0 0 314.389 2.374 10 30 DEEERN N#Cc1cccc(Cc2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)c1 ZINC000556016976 406859491 /nfs/dbraw/zinc/85/94/91/406859491.db2.gz UBUIXHDQXCXUQO-HZPDHXFCSA-N 0 0 324.384 2.458 10 30 DEEERN Cc1cc(C)c(C)c(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c1C ZINC000128991385 196009998 /nfs/dbraw/zinc/00/99/98/196009998.db2.gz XCZXYLXNFQUZEV-INIZCTEOSA-N 0 0 322.430 2.223 10 30 DEEERN C#CC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000129207844 196029783 /nfs/dbraw/zinc/02/97/83/196029783.db2.gz DBEJPOYLKBFAEM-ZETCQYMHSA-N 0 0 307.202 2.266 10 30 DEEERN Cc1cc(C#CCCO)cc(C(=O)N(C)[C@H]2CCSC2)c1 ZINC000131551358 196179645 /nfs/dbraw/zinc/17/96/45/196179645.db2.gz GRNMFUUOHLGCSM-INIZCTEOSA-N 0 0 303.427 2.306 10 30 DEEERN Cn1cc(N)cc1C(=O)Nc1ccc(Br)cc1C#N ZINC000132048225 196222373 /nfs/dbraw/zinc/22/23/73/196222373.db2.gz MJUWLACQRMVSON-UHFFFAOYSA-N 0 0 319.162 2.494 10 30 DEEERN C=CCC(CC=C)C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000132355523 196249314 /nfs/dbraw/zinc/24/93/14/196249314.db2.gz CGHOETPDJYBEPE-UHFFFAOYSA-N 0 0 318.421 2.181 10 30 DEEERN N#Cc1ncn(Cc2ccc(N)cc2Br)c1C#N ZINC000134134447 196364748 /nfs/dbraw/zinc/36/47/48/196364748.db2.gz MKQGGDSDQBBWOM-UHFFFAOYSA-N 0 0 302.135 2.019 10 30 DEEERN O=C(C#Cc1ccccc1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000135233625 196455884 /nfs/dbraw/zinc/45/58/84/196455884.db2.gz HZAFQBDFGMTUFG-GOSISDBHSA-N 0 0 307.349 2.344 10 30 DEEERN Cn1nccc1C(=O)Nc1ccc(Br)cc1C#N ZINC000135287218 196459801 /nfs/dbraw/zinc/45/98/01/196459801.db2.gz WUDPNOCJGQJADG-UHFFFAOYSA-N 0 0 305.135 2.307 10 30 DEEERN C=C(C)COCCNC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000136159038 196524180 /nfs/dbraw/zinc/52/41/80/196524180.db2.gz AGYMUGZALYLKMP-UHFFFAOYSA-N 0 0 307.438 2.407 10 30 DEEERN Cc1ccc(C(=O)NC2CCSCC2)c(C#CCCO)c1 ZINC000136578427 196542172 /nfs/dbraw/zinc/54/21/72/196542172.db2.gz AAZLTPMNBLAJBO-UHFFFAOYSA-N 0 0 303.427 2.354 10 30 DEEERN O=C(/C=C/c1cnc(N2CCOCC2)s1)c1ccncc1 ZINC000182247534 224912323 /nfs/dbraw/zinc/91/23/23/224912323.db2.gz NNONZAFZOSCFHS-OWOJBTEDSA-N 0 0 301.371 2.271 10 30 DEEERN C[C@](C#N)(NC(=O)CN1CC2(CCCC2)OC(C)(C)C1)C1CC1 ZINC000190962684 225098166 /nfs/dbraw/zinc/09/81/66/225098166.db2.gz IDQVHEIQCLZNLE-QGZVFWFLSA-N 0 0 319.449 2.218 10 30 DEEERN Cn1cc(C#N)cc1C(O)=C(C#N)c1cnc2ccccc2n1 ZINC000190991304 225100383 /nfs/dbraw/zinc/10/03/83/225100383.db2.gz MCJDDQXATYILOH-GFCCVEGCSA-N 0 0 301.309 2.330 10 30 DEEERN CCn1cc([N+](=O)[O-])c(C(=O)N(CCC#N)CCC(C)C)n1 ZINC000191802310 225117436 /nfs/dbraw/zinc/11/74/36/225117436.db2.gz AVPQYPUSFGCOMZ-UHFFFAOYSA-N 0 0 307.354 2.213 10 30 DEEERN C[C@H](C#N)CN(C)C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000266103116 225336400 /nfs/dbraw/zinc/33/64/00/225336400.db2.gz SECFRUVKGJTPKX-XBFCOCLRSA-N 0 0 300.358 2.179 10 30 DEEERN COCCC1(CNC(=O)c2cn(C)nc2[C@H]2CCOC2)CCC1 ZINC000328620607 225775091 /nfs/dbraw/zinc/77/50/91/225775091.db2.gz HCVBYBCSIPTNQO-ZDUSSCGKSA-N 0 0 321.421 2.435 10 30 DEEERN C[C@H](CC1CC1)NC(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1 ZINC000330334385 225996149 /nfs/dbraw/zinc/99/61/49/225996149.db2.gz QOWNXEZWBSOUDL-KYOSRNDESA-N 0 0 306.410 2.332 10 30 DEEERN N#C[C@]1(c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)CC12CCCC2 ZINC000333220175 226103162 /nfs/dbraw/zinc/10/31/62/226103162.db2.gz VWZPTZZNTBBOKR-DCGLDWPTSA-N 0 0 314.389 2.331 10 30 DEEERN C[C@@H]1CCC[C@@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000369219650 227027530 /nfs/dbraw/zinc/02/75/30/227027530.db2.gz PFJZVCQERYBNOY-IIAWOOMASA-N 0 0 304.438 2.194 10 30 DEEERN N#C[C@H]1CN(C(=O)c2ccc(F)c(Cl)c2)CCN1C1CC1 ZINC000370713977 227058009 /nfs/dbraw/zinc/05/80/09/227058009.db2.gz DFMXCARQGBHXAP-LBPRGKRZSA-N 0 0 307.756 2.291 10 30 DEEERN N#C[C@@H]1CN(C(=O)Cc2c(F)cccc2Cl)CCN1C1CC1 ZINC000370992624 227062458 /nfs/dbraw/zinc/06/24/58/227062458.db2.gz NWQMXTFWMPMURY-GFCCVEGCSA-N 0 0 321.783 2.220 10 30 DEEERN N#C[C@@H]1CN(C(=O)CCCc2cccs2)CCN1C1CC1 ZINC000370992682 227062488 /nfs/dbraw/zinc/06/24/88/227062488.db2.gz OHNCSQCKRIXDNG-CQSZACIVSA-N 0 0 303.431 2.270 10 30 DEEERN C=CCn1c(Nc2ccc(OC)cc2)nnc1[C@H]1COCCO1 ZINC000291173502 222195357 /nfs/dbraw/zinc/19/53/57/222195357.db2.gz NLILQOBKMUGPIZ-CQSZACIVSA-N 0 0 316.361 2.304 10 30 DEEERN Cc1nc(C(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)ccc1C#N ZINC000375591716 227153568 /nfs/dbraw/zinc/15/35/68/227153568.db2.gz NWMXJAQFUNSHSO-CYBMUJFWSA-N 0 0 323.356 2.152 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1c(F)cccc1Cl ZINC000408245604 227229493 /nfs/dbraw/zinc/22/94/93/227229493.db2.gz WSURFYRKIUVYOK-KWQFWETISA-N 0 0 302.758 2.450 10 30 DEEERN Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000408399633 227232297 /nfs/dbraw/zinc/23/22/97/227232297.db2.gz JLDHICHIPPSSIO-AWEZNQCLSA-N 0 0 316.405 2.272 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000408334225 227232465 /nfs/dbraw/zinc/23/24/65/227232465.db2.gz MQASRTBFUOAFEY-QWRGUYRKSA-N 0 0 301.371 2.153 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1F ZINC000408340666 227232594 /nfs/dbraw/zinc/23/25/94/227232594.db2.gz OYURJYQXTSBLPA-WPRPVWTQSA-N 0 0 302.758 2.450 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)Nc1nn(C)cc1C(=O)OCC ZINC000488579910 421099318 /nfs/dbraw/zinc/09/93/18/421099318.db2.gz JGBALSCUSFBJSP-NSHDSACASA-N 0 0 306.366 2.169 10 30 DEEERN Cn1cc(C#N)c(NC(=O)N2CCc3c(F)ccc(F)c3C2)n1 ZINC000610634372 422471273 /nfs/dbraw/zinc/47/12/73/422471273.db2.gz IMNPCXQGIGXWRA-UHFFFAOYSA-N 0 0 317.299 2.160 10 30 DEEERN Cc1cc(NC(=O)C2(C#N)CCOCC2)nn1[C@@H](C)C1CC1 ZINC000612056609 422480679 /nfs/dbraw/zinc/48/06/79/422480679.db2.gz VEDNKNGIRYRZFS-LBPRGKRZSA-N 0 0 302.378 2.421 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000122067501 264007280 /nfs/dbraw/zinc/00/72/80/264007280.db2.gz LRMRMSDJYDXYAH-QGZVFWFLSA-N 0 0 319.364 2.402 10 30 DEEERN N#Cc1ccc(Cl)cc1N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528216268 269996379 /nfs/dbraw/zinc/99/63/79/269996379.db2.gz JTCGXUWBCLVAKM-OLZOCXBDSA-N 0 0 310.806 2.368 10 30 DEEERN C[C@H]1C[C@@H]1CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000358700406 424824676 /nfs/dbraw/zinc/82/46/76/424824676.db2.gz XMUSCNAUUYLITF-WDEREUQCSA-N 0 0 313.336 2.661 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)Nc1ccc(C(=O)NCC)nn1 ZINC000413572988 424946268 /nfs/dbraw/zinc/94/62/68/424946268.db2.gz IYWGTMVRFQLVPW-HNNXBMFYSA-N 0 0 310.401 2.826 10 30 DEEERN C=CCC1(C(=O)Nc2ccc(C(F)(F)F)nn2)CCOCC1 ZINC000425567630 424998316 /nfs/dbraw/zinc/99/83/16/424998316.db2.gz YTCIIXDXTLZRHU-UHFFFAOYSA-N 0 0 315.295 2.807 10 30 DEEERN C=CCCCCNC(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1 ZINC000597142718 425031274 /nfs/dbraw/zinc/03/12/74/425031274.db2.gz UPPYLRDHRLTVCU-UHFFFAOYSA-N 0 0 322.409 2.703 10 30 DEEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000440253175 425040842 /nfs/dbraw/zinc/04/08/42/425040842.db2.gz GRDOVWJOHLEKTM-LBPRGKRZSA-N 0 0 319.405 2.916 10 30 DEEERN C=CCNc1ncc(C(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)s1 ZINC000452609880 425087286 /nfs/dbraw/zinc/08/72/86/425087286.db2.gz ZVHDDJYSDYAWHK-XREXNNHRSA-N 0 0 315.442 3.025 10 30 DEEERN CC(=O)Nc1ccc(CCNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000530674827 266839430 /nfs/dbraw/zinc/83/94/30/266839430.db2.gz KYQWMVYDKYZFNR-UHFFFAOYSA-N 0 0 321.380 2.418 10 30 DEEERN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000531871347 266852579 /nfs/dbraw/zinc/85/25/79/266852579.db2.gz YFTFYGAUOOVEKL-LBPRGKRZSA-N 0 0 317.389 2.470 10 30 DEEERN COC(=O)Cc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000530668855 267368638 /nfs/dbraw/zinc/36/86/38/267368638.db2.gz VXLAIQRPOCYFKX-UHFFFAOYSA-N 0 0 308.337 2.455 10 30 DEEERN COC(=O)c1cccc2c1CCCN2C(=O)c1cc(C#N)cn1C ZINC000176622165 277163996 /nfs/dbraw/zinc/16/39/96/277163996.db2.gz RFLUJHUDYRTQPZ-UHFFFAOYSA-N 0 0 323.352 2.276 10 30 DEEERN C=CCCS(=O)(=O)N1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000425209221 277834450 /nfs/dbraw/zinc/83/44/50/277834450.db2.gz OJKWJOGZTUVWMQ-CHWSQXEVSA-N 0 0 317.451 2.335 10 30 DEEERN C=CC[C@H](CC)NC(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1n1cccn1 ZINC000454919677 277887291 /nfs/dbraw/zinc/88/72/91/277887291.db2.gz UAPOZLFVJUOQPC-GBJTYRQASA-N 0 0 306.410 2.256 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000425036327 277919832 /nfs/dbraw/zinc/91/98/32/277919832.db2.gz IXPBMUFSTMPDMX-IFIJOSMWSA-N 0 0 311.422 2.282 10 30 DEEERN CC#CCCCC(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000185869891 277923749 /nfs/dbraw/zinc/92/37/49/277923749.db2.gz SZIDXXQNYYAUKF-CABCVRRESA-N 0 0 305.374 2.124 10 30 DEEERN C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CC[S@@](=O)C1 ZINC000407955061 288260043 /nfs/dbraw/zinc/26/00/43/288260043.db2.gz PWXAEORVSILFOA-AOUSDQRYSA-N 0 0 317.336 2.177 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](CO)c1ccccc1 ZINC000127191755 281852137 /nfs/dbraw/zinc/85/21/37/281852137.db2.gz WQZMDWACDRGOKF-RHSMWYFYSA-N 0 0 324.380 2.218 10 30 DEEERN CCC(CC)(CO)CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000133454624 282016278 /nfs/dbraw/zinc/01/62/78/282016278.db2.gz ZOBLBOTVCRVQSL-UHFFFAOYSA-N 0 0 319.405 2.035 10 30 DEEERN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000329207509 293672210 /nfs/dbraw/zinc/67/22/10/293672210.db2.gz XSHCZHORSQDMAH-DGXTUMSLSA-N 0 0 321.421 2.109 10 30 DEEERN C[C@H]1CN(C(=O)c2sccc2C#N)c2ccccc2C(=O)N1 ZINC000361140681 300210416 /nfs/dbraw/zinc/21/04/16/300210416.db2.gz COCVBOFIEMQXNH-JTQLQIEISA-N 0 0 311.366 2.398 10 30 DEEERN Cn1cnc2c(c1=O)CCN(C(=O)N[C@H]1CCCCC1(C)C)C2 ZINC000328643372 303021778 /nfs/dbraw/zinc/02/17/78/303021778.db2.gz YVKQBGJZGVPTTD-AWEZNQCLSA-N 0 0 318.421 2.021 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc2ncccc21 ZINC000135637102 303159742 /nfs/dbraw/zinc/15/97/42/303159742.db2.gz UNBYVQPGNNNYBH-AAEUAGOBSA-N 0 0 301.371 2.205 10 30 DEEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCO[C@@H](C2CC2)C1 ZINC000328732132 303509034 /nfs/dbraw/zinc/50/90/34/303509034.db2.gz GZMBENJJKLFLIU-CHWSQXEVSA-N 0 0 307.394 2.053 10 30 DEEERN C=CCCCCCNC(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000580092391 332937281 /nfs/dbraw/zinc/93/72/81/332937281.db2.gz GBHWUEGOMZSKOC-UHFFFAOYSA-N 0 0 321.400 2.194 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N(C)[C@H](C)C1CC1 ZINC000560350609 332333588 /nfs/dbraw/zinc/33/35/88/332333588.db2.gz BTGFYYQUGIABGV-LLVKDONJSA-N 0 0 315.425 2.193 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc2nc[nH]c2cc1F ZINC000563018149 333058901 /nfs/dbraw/zinc/05/89/01/333058901.db2.gz DHNHXIPBUOLZIY-ZUZCIYMTSA-N 0 0 303.337 2.413 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc2nc[nH]c2cc1F ZINC000563018147 333058956 /nfs/dbraw/zinc/05/89/56/333058956.db2.gz DHNHXIPBUOLZIY-BONVTDFDSA-N 0 0 303.337 2.413 10 30 DEEERN N#C[C@]1(NC(=O)c2cnn3c2CCCC3)CCc2ccccc2C1 ZINC000183987432 333190772 /nfs/dbraw/zinc/19/07/72/333190772.db2.gz DBZQMFKENDDEPF-IBGZPJMESA-N 0 0 320.396 2.400 10 30 DEEERN C=CCC[C@@H]1NC(=O)N([C@H]2CCc3cnn(C(C)C)c3C2)C1=O ZINC000582112432 333273006 /nfs/dbraw/zinc/27/30/06/333273006.db2.gz MZWFWCDZGPNELQ-KBPBESRZSA-N 0 0 316.405 2.208 10 30 DEEERN N#C[C@@H]1CN(C(=O)NCCCC2CCCC2)CCN1C1CC1 ZINC000365238037 333399494 /nfs/dbraw/zinc/39/94/94/333399494.db2.gz FORXDAFMHTVDDC-MRXNPFEDSA-N 0 0 304.438 2.339 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000571384599 333780230 /nfs/dbraw/zinc/78/02/30/333780230.db2.gz XMBBCHCUFRQPIS-BMFZPTHFSA-N 0 0 319.380 2.047 10 30 DEEERN CC[C@@](C)(C#N)NC(=O)c1cc(C)n(-c2nc(C)cc(C)n2)n1 ZINC000535724074 335744772 /nfs/dbraw/zinc/74/47/72/335744772.db2.gz XRMQFBQZCZLZTI-INIZCTEOSA-N 0 0 312.377 2.010 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC000519359703 335838571 /nfs/dbraw/zinc/83/85/71/335838571.db2.gz BXQQLFABLDITIF-SRVKXCTJSA-N 0 0 315.425 2.049 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1COc1cccnc1C ZINC000519632574 335883512 /nfs/dbraw/zinc/88/35/12/335883512.db2.gz QFXLWMCFFHHBPV-XHSDSOJGSA-N 0 0 316.401 2.351 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1nc(C)c(C)s1 ZINC000563953703 336388700 /nfs/dbraw/zinc/38/87/00/336388700.db2.gz QXRWZDDZGFTTBF-STQMWFEESA-N 0 0 309.435 2.193 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1(c2ccccn2)CCC1 ZINC000563953378 336388806 /nfs/dbraw/zinc/38/88/06/336388806.db2.gz GTMSSRWPPPZBES-GJZGRUSLSA-N 0 0 315.417 2.394 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1coc(-c2ccnc(C)c2)n1 ZINC000582416125 336969334 /nfs/dbraw/zinc/96/93/34/336969334.db2.gz WRKVTXSZVDGMPL-ZFWWWQNUSA-N 0 0 313.357 2.366 10 30 DEEERN C#Cc1cccc(Nc2nc(=NCCCO)[nH]c3ccsc32)c1 ZINC000584652967 337381188 /nfs/dbraw/zinc/38/11/88/337381188.db2.gz ZSALOTSSLBQGDK-UHFFFAOYSA-N 0 0 324.409 2.054 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000121137463 337884913 /nfs/dbraw/zinc/88/49/13/337884913.db2.gz ZNQHMAWSOHDQKS-UHFFFAOYSA-N 0 0 309.347 2.053 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000514934599 337975690 /nfs/dbraw/zinc/97/56/90/337975690.db2.gz UKVOMFCFQZTFCZ-KSWRQPAISA-N 0 0 322.449 2.303 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000505599255 340172395 /nfs/dbraw/zinc/17/23/95/340172395.db2.gz JDVOVRRNKOCNJJ-SHTZXODSSA-N 0 0 316.401 2.163 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N(C)[C@H]1C[C@@H](OC)C1 ZINC000507022758 340205616 /nfs/dbraw/zinc/20/56/16/340205616.db2.gz IYUYFJANSRKCOP-GASCZTMLSA-N 0 0 316.401 2.380 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)n([C@@H]2CCOC2)c1C ZINC000529503070 340758169 /nfs/dbraw/zinc/75/81/69/340758169.db2.gz SQLGMMMYVFNYHS-UXLLHSPISA-N 0 0 318.417 2.387 10 30 DEEERN CC1(C#N)CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000541886634 340987385 /nfs/dbraw/zinc/98/73/85/340987385.db2.gz BSQDDTKYZHQVBA-AWEZNQCLSA-N 0 0 311.385 2.192 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCCC(=O)NC ZINC000130389173 341020561 /nfs/dbraw/zinc/02/05/61/341020561.db2.gz QIDSKBZCJQLWHB-UHFFFAOYSA-N 0 0 319.361 2.026 10 30 DEEERN C=CCOc1ccccc1CNc1cncc(OCCO)n1 ZINC000132653859 341136595 /nfs/dbraw/zinc/13/65/95/341136595.db2.gz BJHVVWKLJBBTBQ-UHFFFAOYSA-N 0 0 301.346 2.025 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)c2coc(C3CCCC3)n2)C1=O ZINC000546693183 341179292 /nfs/dbraw/zinc/17/92/92/341179292.db2.gz VRXOFKKVHFOEKJ-AWEZNQCLSA-N 0 0 317.389 2.191 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@@]1(C)CO ZINC000548875374 341279160 /nfs/dbraw/zinc/27/91/60/341279160.db2.gz GMVVESIXCPKEJY-SFHVURJKSA-N 0 0 316.401 2.117 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCOc1ccc(C)cc1C ZINC000550136338 341310865 /nfs/dbraw/zinc/31/08/65/341310865.db2.gz CYMYQBMECXKUHG-UHFFFAOYSA-N 0 0 318.417 2.223 10 30 DEEERN C=C(C)Cn1c(C2CC2)nnc1N1CCC(C(=O)N(C)C)CC1 ZINC000555220112 341477449 /nfs/dbraw/zinc/47/74/49/341477449.db2.gz LJRYENGSABIQRC-UHFFFAOYSA-N 0 0 317.437 2.036 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCCc1c(F)cccc1F ZINC000565229091 341520827 /nfs/dbraw/zinc/52/08/27/341520827.db2.gz OTUUCRUFVCDSIY-UHFFFAOYSA-N 0 0 324.371 2.486 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000568996591 341687818 /nfs/dbraw/zinc/68/78/18/341687818.db2.gz DBAGKHHRDYAPJK-UHFFFAOYSA-N 0 0 303.337 2.498 10 30 DEEERN C=CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)n[nH]c1=O ZINC000163680904 341700665 /nfs/dbraw/zinc/70/06/65/341700665.db2.gz PCRISOOHHRQZCX-QMMMGPOBSA-N 0 0 309.395 2.291 10 30 DEEERN C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@@H](CO)O1 ZINC000191132864 533862037 /nfs/dbraw/zinc/86/20/37/533862037.db2.gz DMUHETLHLOMONT-WFASDCNBSA-N 0 0 317.389 2.101 10 30 DEEERN Cc1cc(=O)[nH]cc1C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000330257801 534022038 /nfs/dbraw/zinc/02/20/38/534022038.db2.gz LVEHAAHZKDSWLY-ABAIWWIYSA-N 0 0 308.403 2.455 10 30 DEEERN C=CC[C@H](CC)NC(=O)N[C@@H]1C[C@@H](OCC)[C@H]1n1cccn1 ZINC000454919687 534373622 /nfs/dbraw/zinc/37/36/22/534373622.db2.gz UAPOZLFVJUOQPC-YJNKXOJESA-N 0 0 306.410 2.256 10 30 DEEERN Cc1ccc2c(CCNC(=O)CSCC#N)cn(C)c2c1 ZINC000188415619 534383933 /nfs/dbraw/zinc/38/39/33/534383933.db2.gz LPJRDPRZDUFUET-UHFFFAOYSA-N 0 0 301.415 2.402 10 30 DEEERN C=CCn1c(N(CCCCO)C2CC2)nnc1[C@@]1(C)CCCO1 ZINC000453444457 534442811 /nfs/dbraw/zinc/44/28/11/534442811.db2.gz RWYSTKBENKUDOK-QGZVFWFLSA-N 0 0 320.437 2.231 10 30 DEEERN Cc1nc([C@@H]2CCCN2S(=O)(=O)CC2(C#N)CC2)cs1 ZINC000188007663 534572453 /nfs/dbraw/zinc/57/24/53/534572453.db2.gz UIZQSJOSLKYNCS-LBPRGKRZSA-N 0 0 311.432 2.222 10 30 DEEERN N#CC1(c2ccc(C(=O)NCCCO[C@@H]3CCOC3)cc2)CC1 ZINC000181552561 534575234 /nfs/dbraw/zinc/57/52/34/534575234.db2.gz VHHQZOZCXZUBKT-MRXNPFEDSA-N 0 0 314.385 2.167 10 30 DEEERN CC(=O)Nc1cccc2c1CCN(Cc1cc(C#N)n(C)c1)C2 ZINC000191265838 534764087 /nfs/dbraw/zinc/76/40/87/534764087.db2.gz HEHOOLKCYWEWML-UHFFFAOYSA-N 0 0 308.385 2.413 10 30 DEEERN C[C@@H]1CN(C(=O)c2sccc2C#N)C[C@]2(CCCOC2)O1 ZINC000373604196 524887348 /nfs/dbraw/zinc/88/73/48/524887348.db2.gz OXDJPVBIESJZBH-ABAIWWIYSA-N 0 0 306.387 2.030 10 30 DEEERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C1(C#N)CCOCC1 ZINC000408114042 534824021 /nfs/dbraw/zinc/82/40/21/534824021.db2.gz VPRSGTSUFXEIOO-CQSZACIVSA-N 0 0 316.405 2.021 10 30 DEEERN C=CCOc1ccc(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)cc1 ZINC000449715213 534883556 /nfs/dbraw/zinc/88/35/56/534883556.db2.gz DQGJNHMYPQIOHD-DLBZAZTESA-N 0 0 321.442 2.403 10 30 DEEERN CC(C)(C)N1C[C@@H](NC(=O)NCC2CCC(C#N)CC2)CC1=O ZINC000440997375 526293214 /nfs/dbraw/zinc/29/32/14/526293214.db2.gz JFSPJCGESLVPIF-RUXDESIVSA-N 0 0 320.437 2.015 10 30 DEEERN C=CCN(CCOC)C(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000191978245 526296919 /nfs/dbraw/zinc/29/69/19/526296919.db2.gz BLZQDJSMXSQYBO-UHFFFAOYSA-N 0 0 321.327 2.425 10 30 DEEERN C=CCN(CCOC)S(=O)(=O)c1cccc2ncccc21 ZINC000190502510 526304515 /nfs/dbraw/zinc/30/45/15/526304515.db2.gz NIYHUBBAULBXEY-UHFFFAOYSA-N 0 0 306.387 2.058 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](CC)C(=O)OC ZINC000338724435 526349244 /nfs/dbraw/zinc/34/92/44/526349244.db2.gz DGRLHIWMZDIRJT-AWEZNQCLSA-N 0 0 320.345 2.309 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCCN(C)C1=O ZINC000448759272 526363745 /nfs/dbraw/zinc/36/37/45/526363745.db2.gz HUHGJAAMWXITER-CQSZACIVSA-N 0 0 304.365 2.209 10 30 DEEERN CNC(=O)[C@H]1CN(C(=O)C2=C(C)CCC2)C[C@@H]1c1cnn(C)c1 ZINC000329192077 526407079 /nfs/dbraw/zinc/40/70/79/526407079.db2.gz QSLJXRCSADUOQF-CABCVRRESA-N 0 0 316.405 2.049 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](C)c1cncnc1 ZINC000342392500 526556200 /nfs/dbraw/zinc/55/62/00/526556200.db2.gz IKLBTGNWRMPMDD-ZDUSSCGKSA-N 0 0 315.373 2.270 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)c1ccnc(N(C)C)n1 ZINC000343604476 526562940 /nfs/dbraw/zinc/56/29/40/526562940.db2.gz ZPZPFDURAGQSPB-UHFFFAOYSA-N 0 0 302.378 2.211 10 30 DEEERN C=C(C)CN(Cc1ccccc1)C(=O)CNC(=O)c1ccccn1 ZINC000352211728 526563952 /nfs/dbraw/zinc/56/39/52/526563952.db2.gz UUVWUGQKROJVIC-UHFFFAOYSA-N 0 0 323.396 2.416 10 30 DEEERN C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)C(C)C)cc1 ZINC000172580097 526670563 /nfs/dbraw/zinc/67/05/63/526670563.db2.gz QPKBOHTVQDFELE-CYBMUJFWSA-N 0 0 324.446 2.173 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000277521973 526670842 /nfs/dbraw/zinc/67/08/42/526670842.db2.gz TYYOKXBNHMCVJP-UHFFFAOYSA-N 0 0 324.424 2.144 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC(c2nncn2C(C)C)CC1 ZINC000287234546 526670861 /nfs/dbraw/zinc/67/08/61/526670861.db2.gz APWWTUZGSRGWQG-UHFFFAOYSA-N 0 0 312.417 2.228 10 30 DEEERN C#CCCCC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000192156264 526679770 /nfs/dbraw/zinc/67/97/70/526679770.db2.gz CKSMCABLLWACNZ-CQSZACIVSA-N 0 0 300.406 2.472 10 30 DEEERN C#CCCCCC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000120168618 526686491 /nfs/dbraw/zinc/68/64/91/526686491.db2.gz WTYZCCNTTPJRSH-HNNXBMFYSA-N 0 0 300.406 2.097 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000341952460 526692504 /nfs/dbraw/zinc/69/25/04/526692504.db2.gz RLEHAAPIUQLTRA-CHWSQXEVSA-N 0 0 324.446 2.456 10 30 DEEERN C#CCCCCNC(=O)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000370439119 526702774 /nfs/dbraw/zinc/70/27/74/526702774.db2.gz CFJCPZNKANVNKY-ZDUSSCGKSA-N 0 0 303.410 2.168 10 30 DEEERN C#CCCCS(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000376292476 526717198 /nfs/dbraw/zinc/71/71/98/526717198.db2.gz ZTTGZOFKWIKUBX-CQSZACIVSA-N 0 0 321.398 2.295 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CCC[C@@H](NC(=O)CCC)C1 ZINC000338860908 526723921 /nfs/dbraw/zinc/72/39/21/526723921.db2.gz PIWZAGYLTFUCJG-CQSZACIVSA-N 0 0 305.426 2.048 10 30 DEEERN C=C(C)[C@@H](NC(=O)N1CC(NC(C)=O)C1)c1ccc(F)c(F)c1 ZINC000190331733 526754451 /nfs/dbraw/zinc/75/44/51/526754451.db2.gz MDUJVJIZUIMTDG-OAHLLOKOSA-N 0 0 323.343 2.112 10 30 DEEERN C=CCOCCNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000369984272 526780417 /nfs/dbraw/zinc/78/04/17/526780417.db2.gz KSZBOGRNBHXRRU-LBPRGKRZSA-N 0 0 322.792 2.012 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCC(C(=O)N(CC)CC)CC1)OCC ZINC000339393580 526806551 /nfs/dbraw/zinc/80/65/51/526806551.db2.gz VBADIZKGBSMJAI-INIZCTEOSA-N 0 0 324.465 2.465 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1CCC([C@H](C)O)CC1 ZINC000343937479 526824910 /nfs/dbraw/zinc/82/49/10/526824910.db2.gz YSWDXSBBBOHYLB-ZDUSSCGKSA-N 0 0 319.401 2.493 10 30 DEEERN C=CCOc1ccc(CN2CC[C@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000353149976 526871994 /nfs/dbraw/zinc/87/19/94/526871994.db2.gz IKQJHOUHLMPABF-DLBZAZTESA-N 0 0 319.401 2.404 10 30 DEEERN C=C(Cl)CNC(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000369486615 526889069 /nfs/dbraw/zinc/88/90/69/526889069.db2.gz SBHXMOQCIIFUNH-ZDUSSCGKSA-N 0 0 307.781 2.234 10 30 DEEERN C=CCOc1cccc(NC(=O)N2CCN(C3CC3)C(=O)C2)c1 ZINC000337364174 526913440 /nfs/dbraw/zinc/91/34/40/526913440.db2.gz MCLYBDUQPFBWHX-UHFFFAOYSA-N 0 0 315.373 2.090 10 30 DEEERN C=CCSCCNC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000338320730 526992500 /nfs/dbraw/zinc/99/25/00/526992500.db2.gz ZKBSSOXKVBBAQE-GFCCVEGCSA-N 0 0 308.403 2.045 10 30 DEEERN C=CCSc1ccccc1C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000337699512 527008432 /nfs/dbraw/zinc/00/84/32/527008432.db2.gz SNVHAEWQBPFPQT-LBPRGKRZSA-N 0 0 304.415 2.267 10 30 DEEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1cc(-n2cccn2)ccc1C ZINC000191968032 527017857 /nfs/dbraw/zinc/01/78/57/527017857.db2.gz NBMNCDFGDRROAW-CYBMUJFWSA-N 0 0 312.373 2.200 10 30 DEEERN C=CCC1(C(=O)NCc2c3c(nn2C)CCCC3)CCOCC1 ZINC000424833098 527055342 /nfs/dbraw/zinc/05/53/42/527055342.db2.gz OUHKHOMPHLUGOK-UHFFFAOYSA-N 0 0 317.433 2.288 10 30 DEEERN C#CCOCCC(=O)N1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000155521001 527065887 /nfs/dbraw/zinc/06/58/87/527065887.db2.gz ZYPRFWMCGIINSN-CQSZACIVSA-N 0 0 317.385 2.060 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCCCOc1cccc(C#N)c1 ZINC000185878077 527087736 /nfs/dbraw/zinc/08/77/36/527087736.db2.gz CDRVYOPSSQSLCQ-HNNXBMFYSA-N 0 0 302.374 2.161 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000183659145 527091575 /nfs/dbraw/zinc/09/15/75/527091575.db2.gz SCJGHSAXHXWPTI-AAEUAGOBSA-N 0 0 307.350 2.200 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)C[C@@H]1CCOC[C@@H]1OC ZINC000295088024 527110609 /nfs/dbraw/zinc/11/06/09/527110609.db2.gz WIJWNQFMEGNSPD-LRDDRELGSA-N 0 0 321.348 2.218 10 30 DEEERN C=CCCCCNC(=O)C(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000339736933 527142012 /nfs/dbraw/zinc/14/20/12/527142012.db2.gz UIAIWLKQPRIJKB-GFCCVEGCSA-N 0 0 322.380 2.484 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000341457411 527148379 /nfs/dbraw/zinc/14/83/79/527148379.db2.gz KUJOVMLEPIDMEA-GJZGRUSLSA-N 0 0 320.437 2.475 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC([C@H]2CCOC2)C1 ZINC000377252986 527160494 /nfs/dbraw/zinc/16/04/94/527160494.db2.gz XKNOXFWSJCLJME-WMZOPIPTSA-N 0 0 312.413 2.299 10 30 DEEERN C=CC[C@H](CO)CNC(=O)C(=O)Nc1c(C)c(C)ccc1Cl ZINC000411356638 527166031 /nfs/dbraw/zinc/16/60/31/527166031.db2.gz UQJFRNKGUCTKQS-LBPRGKRZSA-N 0 0 324.808 2.196 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCOC1(C)C ZINC000296738601 527173555 /nfs/dbraw/zinc/17/35/55/527173555.db2.gz XNNBHSFYTMAODB-HZPDHXFCSA-N 0 0 300.402 2.488 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCc1c(F)cccc1F ZINC000340329305 527177798 /nfs/dbraw/zinc/17/77/98/527177798.db2.gz KZXFRDSOOCDNIU-UHFFFAOYSA-N 0 0 310.344 2.048 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H]1CCCOc2ccccc21 ZINC000285800813 527178235 /nfs/dbraw/zinc/17/82/35/527178235.db2.gz DOGBSIHQBWMRLX-HNNXBMFYSA-N 0 0 316.401 2.441 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H]1CCCc2cc(N)ccc21 ZINC000420104819 527179330 /nfs/dbraw/zinc/17/93/30/527179330.db2.gz TZAIBXMWULEDRZ-MRXNPFEDSA-N 0 0 315.417 2.187 10 30 DEEERN C=CCCCN(C)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 ZINC000077264028 527188188 /nfs/dbraw/zinc/18/81/88/527188188.db2.gz APQWSSCYJUQBKU-UHFFFAOYSA-N 0 0 300.366 2.401 10 30 DEEERN C=CCCCN1C(=O)N[C@@H](c2ccc(OC)cc2OC)C1=O ZINC000349065944 527197630 /nfs/dbraw/zinc/19/76/30/527197630.db2.gz APYDUSYVBCOGIH-AWEZNQCLSA-N 0 0 304.346 2.263 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000338776586 527199920 /nfs/dbraw/zinc/19/99/20/527199920.db2.gz LMXGCZMFMRGVBT-BXUZGUMPSA-N 0 0 308.353 2.058 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000183552324 527202969 /nfs/dbraw/zinc/20/29/69/527202969.db2.gz JDQRWLOMWJXPTL-CQSZACIVSA-N 0 0 305.378 2.340 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cccc(COC2CCOCC2)c1 ZINC000337034933 527208156 /nfs/dbraw/zinc/20/81/56/527208156.db2.gz ICQUKCDZBNLXCR-MRXNPFEDSA-N 0 0 319.401 2.049 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1scc(C)c1Br ZINC000191516036 527208834 /nfs/dbraw/zinc/20/88/34/527208834.db2.gz ZIALOTXEDWIZRE-MRVPVSSYSA-N 0 0 304.209 2.486 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cc(OC)cc(OC)c1C ZINC000337529898 527209931 /nfs/dbraw/zinc/20/99/31/527209931.db2.gz CNEWBQRZBLCVDI-UHFFFAOYSA-N 0 0 306.362 2.033 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnn2c1nccc2-c1ccccc1 ZINC000337022040 527210016 /nfs/dbraw/zinc/21/00/16/527210016.db2.gz ACCKAPLMTTXVLY-CQSZACIVSA-N 0 0 322.368 2.063 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cccc2c1CN(CCC)C2 ZINC000448319469 527210403 /nfs/dbraw/zinc/21/04/03/527210403.db2.gz FUMRLHSUIMUDDP-UHFFFAOYSA-N 0 0 315.417 2.433 10 30 DEEERN C=CCCCNC(=O)NCCCN(C(=O)C1CCC1)C1CC1 ZINC000447956918 527219610 /nfs/dbraw/zinc/21/96/10/527219610.db2.gz WYTZZEDBTPFKLW-UHFFFAOYSA-N 0 0 307.438 2.433 10 30 DEEERN C=CCCCNS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000447873723 527234403 /nfs/dbraw/zinc/23/44/03/527234403.db2.gz ISDQSHCKWQMRDR-UHFFFAOYSA-N 0 0 309.366 2.256 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)NCC1CCC(OC)CC1 ZINC000352316902 527279957 /nfs/dbraw/zinc/27/99/57/527279957.db2.gz YVCWOIBAAAMOBE-NFOMZHRRSA-N 0 0 310.438 2.169 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc(Cl)cn1 ZINC000352237185 527282346 /nfs/dbraw/zinc/28/23/46/527282346.db2.gz HOCILUREUGPJSM-NSHDSACASA-N 0 0 309.797 2.212 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000334009101 527285912 /nfs/dbraw/zinc/28/59/12/527285912.db2.gz WPXDSPHEEQTUEU-ZNMIVQPWSA-N 0 0 307.438 2.431 10 30 DEEERN C=CCn1c(C(C)C)nnc1N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000337867658 527290142 /nfs/dbraw/zinc/29/01/42/527290142.db2.gz RKOGKASXKBOVCH-UHFFFAOYSA-N 0 0 319.453 2.423 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN2CCN(C3CC3)CC2)c1C ZINC000299325815 527293359 /nfs/dbraw/zinc/29/33/59/527293359.db2.gz JQCKSHFUYUQWQB-UHFFFAOYSA-N 0 0 301.434 2.254 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1C[C@@H](C)O[C@H](COC)C1 ZINC000337866257 527317113 /nfs/dbraw/zinc/31/71/13/527317113.db2.gz QLOUVOVIOLDCTE-CABCVRRESA-N 0 0 322.453 2.293 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N1CCC(CO)CC1 ZINC000350741312 527319893 /nfs/dbraw/zinc/31/98/93/527319893.db2.gz NLIOYDZBNAGNCP-UHFFFAOYSA-N 0 0 316.405 2.051 10 30 DEEERN C=CCn1cc(CNC(=O)N(CC)[C@@H](C)c2cccnc2)nn1 ZINC000425565419 527366105 /nfs/dbraw/zinc/36/61/05/527366105.db2.gz NZDSFOPQZMTRGJ-ZDUSSCGKSA-N 0 0 314.393 2.152 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NCc1noc(-c2cccc(F)c2)n1 ZINC000372247742 527382487 /nfs/dbraw/zinc/38/24/87/527382487.db2.gz OEYRGNJNDUGNBQ-NSHDSACASA-N 0 0 319.336 2.473 10 30 DEEERN C=CCCO[C@H](C)C(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000162974129 527397148 /nfs/dbraw/zinc/39/71/48/527397148.db2.gz OMUCOCUEKGQSQN-CYBMUJFWSA-N 0 0 314.389 2.112 10 30 DEEERN C=C[C@@H](C)NC(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000441739919 527410330 /nfs/dbraw/zinc/41/03/30/527410330.db2.gz GVUBYMPJWIJMTN-LLVKDONJSA-N 0 0 300.366 2.029 10 30 DEEERN C#Cc1cc(F)c(NC(=O)C(=O)N(C)CCCC=C)c(F)c1 ZINC000283258142 527431886 /nfs/dbraw/zinc/43/18/86/527431886.db2.gz MBDBKAMRGGHCPY-UHFFFAOYSA-N 0 0 306.312 2.309 10 30 DEEERN C#Cc1ccc(CNC(=O)NCCCC(=O)OC(C)C)cc1 ZINC000296733667 527435811 /nfs/dbraw/zinc/43/58/11/527435811.db2.gz KBRLYDJNQFPJSG-UHFFFAOYSA-N 0 0 302.374 2.199 10 30 DEEERN C=CCC[C@@H](NC(=O)[C@@H](O)Cc1cnn(C)c1)c1ccccc1 ZINC000345893463 527443281 /nfs/dbraw/zinc/44/32/81/527443281.db2.gz SWEIPZWHIALMOA-SJORKVTESA-N 0 0 313.401 2.147 10 30 DEEERN C#Cc1ccccc1CC(=O)N[C@H]1COc2ccc(F)cc2C1 ZINC000378138146 527463815 /nfs/dbraw/zinc/46/38/15/527463815.db2.gz OHOAPSXEMMXLFS-QGZVFWFLSA-N 0 0 309.340 2.469 10 30 DEEERN C#Cc1ccccc1CC(=O)N[C@@H]1COc2ccc(F)cc2C1 ZINC000378138144 527463881 /nfs/dbraw/zinc/46/38/81/527463881.db2.gz OHOAPSXEMMXLFS-KRWDZBQOSA-N 0 0 309.340 2.469 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)C1CCC(CC)CC1 ZINC000425906750 527490169 /nfs/dbraw/zinc/49/01/69/527490169.db2.gz AAIWFEWYAFPASU-GRAKBVBRSA-N 0 0 322.449 2.121 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1cccc(N(C)C)c1 ZINC000425567070 527493918 /nfs/dbraw/zinc/49/39/18/527493918.db2.gz RUHLMWMVEDGDNF-RDJZCZTQSA-N 0 0 317.433 2.485 10 30 DEEERN C=CCCn1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)nn1 ZINC000424867016 527518336 /nfs/dbraw/zinc/51/83/36/527518336.db2.gz OWXHOLMPDAQHOB-IMJJTQAJSA-N 0 0 318.421 2.010 10 30 DEEERN C=CCCn1cc(C(=O)N[C@@H](c2cnn(C)c2)C(C)(C)C)nn1 ZINC000424706713 527526853 /nfs/dbraw/zinc/52/68/53/527526853.db2.gz PFFGKNKYAXGRDD-AWEZNQCLSA-N 0 0 316.409 2.105 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000346366138 527550576 /nfs/dbraw/zinc/55/05/76/527550576.db2.gz HLZVDCFFZHDNHZ-KBXCAEBGSA-N 0 0 318.417 2.107 10 30 DEEERN C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C ZINC000337805816 527577440 /nfs/dbraw/zinc/57/74/40/527577440.db2.gz HTSAGKQBAQQJCM-UHFFFAOYSA-N 0 0 310.199 2.205 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000190634916 527586933 /nfs/dbraw/zinc/58/69/33/527586933.db2.gz BEJUCMHPQHURDK-LBPRGKRZSA-N 0 0 313.279 2.152 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000188369264 527621286 /nfs/dbraw/zinc/62/12/86/527621286.db2.gz CFCWMRFFHKZBOZ-CXAGYDPISA-N 0 0 320.437 2.061 10 30 DEEERN CC1(CNC(=O)c2cc(N3CCNC3=O)ccc2Cl)COC1 ZINC000329599909 527901900 /nfs/dbraw/zinc/90/19/00/527901900.db2.gz JYKHARYMJZHSLY-UHFFFAOYSA-N 0 0 323.780 2.415 10 30 DEEERN CCC(=O)N1CSC[C@@H]1C(=O)NCCC1CCOCC1 ZINC000329345595 528380086 /nfs/dbraw/zinc/38/00/86/528380086.db2.gz QYEYNLPCKWQROH-GFCCVEGCSA-N 0 0 300.424 2.071 10 30 DEEERN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000330284828 528380315 /nfs/dbraw/zinc/38/03/15/528380315.db2.gz YATNOTAIQKVQLZ-YRGRVCCFSA-N 0 0 314.451 2.316 10 30 DEEERN CC(C)C[C@H](CCO)CNC(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC000328621246 528490467 /nfs/dbraw/zinc/49/04/67/528490467.db2.gz HPRBHWLXFUJGSC-UONOGXRCSA-N 0 0 323.437 2.273 10 30 DEEERN CCCCOC[C@H](O)Cn1nc(-c2cccc(C#N)c2)nc1C ZINC000193386162 528627223 /nfs/dbraw/zinc/62/72/23/528627223.db2.gz PCMVZLGKZUWXKS-MRXNPFEDSA-N 0 0 314.389 2.303 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCC[C@@H](C)O ZINC000447610016 528637890 /nfs/dbraw/zinc/63/78/90/528637890.db2.gz OSHXIOGDCYRPAY-CZUORRHYSA-N 0 0 304.390 2.239 10 30 DEEERN CC(C)[C@@](C)(C#N)NC(=O)CN1CCO[C@@H](c2ccsc2)C1 ZINC000246692916 528851196 /nfs/dbraw/zinc/85/11/96/528851196.db2.gz RKIQSNIAWOJVPI-GDBMZVCRSA-N 0 0 321.446 2.176 10 30 DEEERN CCC(CC)c1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)on1 ZINC000365372819 528873990 /nfs/dbraw/zinc/87/39/90/528873990.db2.gz SALQOBUZNIUULP-AWEZNQCLSA-N 0 0 316.405 2.391 10 30 DEEERN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188997265 529369569 /nfs/dbraw/zinc/36/95/69/529369569.db2.gz UKRGMUWJJGFMIL-OLZOCXBDSA-N 0 0 313.401 2.009 10 30 DEEERN C#CCOc1cccc(-c2noc([C@H]3CCCN(C)C3=O)n2)c1 ZINC000297704294 625575483 /nfs/dbraw/zinc/57/54/83/625575483.db2.gz MLSOSYKTMIVYBY-CQSZACIVSA-N 0 0 311.341 2.084 10 30 DEEERN C#CCCCNC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000186937550 622691290 /nfs/dbraw/zinc/69/12/90/622691290.db2.gz NNAWCYOCIBPADP-KBPBESRZSA-N 0 0 323.437 2.487 10 30 DEEERN C=C[C@@H](C)OC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000187635680 622864076 /nfs/dbraw/zinc/86/40/76/622864076.db2.gz HJJPMHXRGYXATI-GFCCVEGCSA-N 0 0 308.399 2.457 10 30 DEEERN COc1cccc(/C=N\[C@H]2CCCN(c3cnn(C)c3)C2)c1O ZINC000255062927 623327630 /nfs/dbraw/zinc/32/76/30/623327630.db2.gz YITXTZAVGLPFCA-WXARJGPPSA-N 0 0 314.389 2.222 10 30 DEEERN CCCC[C@@H](NC(=O)NCC)C(=O)OCC#Cc1ccccc1 ZINC000156702070 624042260 /nfs/dbraw/zinc/04/22/60/624042260.db2.gz KSMAJLHTOJIWAG-MRXNPFEDSA-N 0 0 316.401 2.459 10 30 DEEERN C#CCOCCC(=O)OCc1cc([N+](=O)[O-])ccc1OCC ZINC000160803131 624082673 /nfs/dbraw/zinc/08/26/73/624082673.db2.gz VFWMWUPBYILFDB-UHFFFAOYSA-N 0 0 307.302 2.077 10 30 DEEERN C#CC[C@H](OC(=O)/C=C\c1cncc(C(=O)NC)c1)C(C)C ZINC000255775534 625716259 /nfs/dbraw/zinc/71/62/59/625716259.db2.gz SGMKWYBECFVEPN-LZNQSLFOSA-N 0 0 300.358 2.046 10 30 DEEERN N#C[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000161706919 625099675 /nfs/dbraw/zinc/09/96/75/625099675.db2.gz ZOGTUYQIBUMPTL-SNVBAGLBSA-N 0 0 324.134 2.389 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)OC1C[C@@H](OC)C[C@H](OC)C1 ZINC000187629051 625198115 /nfs/dbraw/zinc/19/81/15/625198115.db2.gz CDUBVYDUXZEHCU-HEHGZKQESA-N 0 0 300.395 2.341 10 30 DEEERN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C#N)C1CC1)C(C)C ZINC000161922268 625250103 /nfs/dbraw/zinc/25/01/03/625250103.db2.gz MXXPVYAYKJDEIE-HOTGVXAUSA-N 0 0 313.401 2.168 10 30 DEEERN CC1CCN(C(=S)SCC(=O)N[C@H](C#N)C2CC2)CC1 ZINC000161926196 625252139 /nfs/dbraw/zinc/25/21/39/625252139.db2.gz LPQZBLLDEJXCPO-GFCCVEGCSA-N 0 0 311.476 2.155 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000733672871 633263348 /nfs/dbraw/zinc/26/33/48/633263348.db2.gz GOAWPYGVSCRFBX-UHFFFAOYSA-N 0 0 316.691 2.019 10 30 DEEERN C#Cc1ccc(C(=O)Nc2ccccc2CC(=O)OCC)nc1 ZINC000733769745 633283057 /nfs/dbraw/zinc/28/30/57/633283057.db2.gz NFJDOGQKSJKALA-UHFFFAOYSA-N 0 0 308.337 2.421 10 30 DEEERN C=C(COC(=O)c1cccc(C)c1NC(C)=O)C(=O)OCC ZINC000734027458 633313102 /nfs/dbraw/zinc/31/31/02/633313102.db2.gz WGXBLFYFIVAQJL-UHFFFAOYSA-N 0 0 305.330 2.230 10 30 DEEERN C=C(COC(=O)CCc1ccc2c(c1)OCCO2)C(=O)OCC ZINC000734027770 633313164 /nfs/dbraw/zinc/31/31/64/633313164.db2.gz ROMUKNDEJINTSH-UHFFFAOYSA-N 0 0 320.341 2.053 10 30 DEEERN C#CCOc1ccccc1CNC(=O)C(=O)c1ccc(F)cc1 ZINC000734161429 633340549 /nfs/dbraw/zinc/34/05/49/633340549.db2.gz LSTIRCDJTYQBIS-UHFFFAOYSA-N 0 0 311.312 2.337 10 30 DEEERN C#CCOc1ccccc1CNC(=O)Nc1ccc(N(C)C)nc1 ZINC000734206370 633346432 /nfs/dbraw/zinc/34/64/32/633346432.db2.gz ZAJKGXHXIJMTFM-UHFFFAOYSA-N 0 0 324.384 2.481 10 30 DEEERN C=CC[C@@H](NC(=O)NCCCN1CCCC1=O)c1ccncc1 ZINC000734651896 633411017 /nfs/dbraw/zinc/41/10/17/633411017.db2.gz DPARWXKSRCVXAR-OAHLLOKOSA-N 0 0 316.405 2.011 10 30 DEEERN C#CCCOc1ccc(C[NH2+]C2(c3nnn[n-]3)CCCC2)cc1 ZINC000735407691 633507666 /nfs/dbraw/zinc/50/76/66/633507666.db2.gz MSIIITPVNQZDHC-UHFFFAOYSA-N 0 0 311.389 2.161 10 30 DEEERN C=CCOCC(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000735443722 633508740 /nfs/dbraw/zinc/50/87/40/633508740.db2.gz RXZDZEKYBZHFHL-UHFFFAOYSA-N 0 0 318.285 2.496 10 30 DEEERN C=C(Cl)CNC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000736246189 633583139 /nfs/dbraw/zinc/58/31/39/633583139.db2.gz PIQWWUGPGGOTDV-CYBMUJFWSA-N 0 0 308.765 2.286 10 30 DEEERN COC(=O)[C@H]1CCCN(C(=O)Nc2cc(C#N)ccc2F)C1 ZINC000888359909 633833786 /nfs/dbraw/zinc/83/37/86/633833786.db2.gz SAVDOTAQMNOXDK-NSHDSACASA-N 0 0 305.309 2.114 10 30 DEEERN C=C(COC(=O)c1cc2c([nH]c1=O)CCCCC2)C(=O)OCC ZINC000738756503 637514557 /nfs/dbraw/zinc/51/45/57/637514557.db2.gz VMRSFTIDENJJBH-UHFFFAOYSA-N 0 0 319.357 2.332 10 30 DEEERN C#Cc1cccc(N(C)S(=O)(=O)c2c(C)nn(C)c2Cl)c1 ZINC000103061657 637545350 /nfs/dbraw/zinc/54/53/50/637545350.db2.gz KWIOYUBFZWSJOW-UHFFFAOYSA-N 0 0 323.805 2.188 10 30 DEEERN C#CCN(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)C1CCCC1 ZINC000194487648 637566412 /nfs/dbraw/zinc/56/64/12/637566412.db2.gz KSPLCPWECZLJLK-CYBMUJFWSA-N 0 0 323.437 2.487 10 30 DEEERN C[C@]1(c2ccccc2)C[C@H]1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000743642659 638164510 /nfs/dbraw/zinc/16/45/10/638164510.db2.gz UPIBTYGIOBQRBW-ZHALLVOQSA-N 0 0 324.428 2.098 10 30 DEEERN C[C@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1cccc(C#N)c1 ZINC000743708254 638168835 /nfs/dbraw/zinc/16/88/35/638168835.db2.gz BHWSILTTYVIZAQ-SUMWQHHRSA-N 0 0 323.400 2.001 10 30 DEEERN C=CCn1c(=S)n(CN2C[C@H]3CC[C@@H](C2)O3)nc1C1CC1 ZINC000744436399 638220816 /nfs/dbraw/zinc/22/08/16/638220816.db2.gz MCRBNKVDPFVQFH-BETUJISGSA-N 0 0 306.435 2.298 10 30 DEEERN CCC(CC)[C@@H](O)CNC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746785795 638377821 /nfs/dbraw/zinc/37/78/21/638377821.db2.gz UCNALUYDZWMYRW-HNNXBMFYSA-N 0 0 319.405 2.163 10 30 DEEERN C=CC1CCN(C(=O)C(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000746796371 638378525 /nfs/dbraw/zinc/37/85/25/638378525.db2.gz FKPGDOJMJUXAPG-UHFFFAOYSA-N 0 0 316.405 2.361 10 30 DEEERN COc1ccc(CNC(=O)/C=C\C2CCOCC2)cc1C#N ZINC000746878558 638383344 /nfs/dbraw/zinc/38/33/44/638383344.db2.gz XNPPNDSFITULIR-HYXAFXHYSA-N 0 0 300.358 2.166 10 30 DEEERN C=C(C)[C@H]1CC=C(COC(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC000747175949 638415649 /nfs/dbraw/zinc/41/56/49/638415649.db2.gz GPMQQNGYJMOAPX-HOTGVXAUSA-N 0 0 321.417 2.327 10 30 DEEERN C#CCCCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1CC=C ZINC000804942476 638444426 /nfs/dbraw/zinc/44/44/26/638444426.db2.gz RYOMFBYWFLPGDC-UHFFFAOYSA-N 0 0 309.343 2.445 10 30 DEEERN C=C(C)CNC(=S)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000748595471 638576115 /nfs/dbraw/zinc/57/61/15/638576115.db2.gz BOBHAQGFHKHWRD-CYBMUJFWSA-N 0 0 311.495 2.310 10 30 DEEERN CN(C)C(=O)c1ccccc1NC(=O)Cc1cccc(C#N)c1 ZINC000749321584 638635394 /nfs/dbraw/zinc/63/53/94/638635394.db2.gz XXNDVHBKUWOCSE-UHFFFAOYSA-N 0 0 307.353 2.441 10 30 DEEERN CCC(C)(C)NC(=O)[C@@H](C)OC(=O)Cc1cccc(C#N)c1 ZINC000750434153 638745197 /nfs/dbraw/zinc/74/51/97/638745197.db2.gz OMQFIDMZXPNKGQ-GFCCVEGCSA-N 0 0 302.374 2.337 10 30 DEEERN C#CCN(CC#C)Cc1cc2c(cc1Br)OCCO2 ZINC000752076914 639153407 /nfs/dbraw/zinc/15/34/07/639153407.db2.gz QACDJCMAGOEYBO-UHFFFAOYSA-N 0 0 320.186 2.289 10 30 DEEERN C#CCOCCNC(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000752477626 639188710 /nfs/dbraw/zinc/18/87/10/639188710.db2.gz KMMSKIMCCXLTHL-UHFFFAOYSA-N 0 0 316.279 2.399 10 30 DEEERN C#C[C@@H](NS(=O)(=O)N(CC)Cc1ccccc1)C(C)(C)C ZINC000805146274 639839488 /nfs/dbraw/zinc/83/94/88/639839488.db2.gz ANDBRTGTKAZBKL-OAHLLOKOSA-N 0 0 308.447 2.391 10 30 DEEERN C#C[C@@H](NS(=O)(=O)CCc1ccc(OC)cc1)C(C)(C)C ZINC000805148493 639848217 /nfs/dbraw/zinc/84/82/17/639848217.db2.gz DJPKAEWUENTSON-OAHLLOKOSA-N 0 0 309.431 2.205 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)c1cc(O)ccc1OC ZINC000188906622 640049194 /nfs/dbraw/zinc/04/91/94/640049194.db2.gz YDTLRUCRXMMSQF-UHFFFAOYSA-N 0 0 324.336 2.016 10 30 DEEERN C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000729137263 640063719 /nfs/dbraw/zinc/06/37/19/640063719.db2.gz OWLNABPRRLJUEU-GFCCVEGCSA-N 0 0 316.332 2.464 10 30 DEEERN C[C@H]1OCC[C@@H]1SCCS(=O)(=O)c1cccc(C#N)c1 ZINC000163469454 640640401 /nfs/dbraw/zinc/64/04/01/640640401.db2.gz IPXKJZPTBRDGNE-RISCZKNCSA-N 0 0 311.428 2.243 10 30 DEEERN C=CCC(CC=C)C(=O)O[C@@H](C)C(=O)NCc1ccccn1 ZINC000805952508 643941248 /nfs/dbraw/zinc/94/12/48/643941248.db2.gz CHODFDSLQVDJCN-ZDUSSCGKSA-N 0 0 302.374 2.398 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1occc1C(=O)OC ZINC000800264117 645247154 /nfs/dbraw/zinc/24/71/54/645247154.db2.gz LMBBGSMLBXTDDH-LLVKDONJSA-N 0 0 323.345 2.036 10 30 DEEERN N#Cc1ccc(C(=O)N2CCO[C@H](C(F)F)C2)cc1Cl ZINC000801008222 645329163 /nfs/dbraw/zinc/32/91/63/645329163.db2.gz AFSSWFRXGSVQID-NSHDSACASA-N 0 0 300.692 2.318 10 30 DEEERN CC#CC(=O)N[C@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000801187962 645349674 /nfs/dbraw/zinc/34/96/74/645349674.db2.gz SJBZNBBIDVUWHD-BBRMVZONSA-N 0 0 310.319 2.379 10 30 DEEERN CN(C)c1ncnc(Cl)c1COC(=O)c1sccc1C#N ZINC000801247795 645359227 /nfs/dbraw/zinc/35/92/27/645359227.db2.gz NCDHKBSQDXSEJC-UHFFFAOYSA-N 0 0 322.777 2.486 10 30 DEEERN CCOc1ccc(C(=O)OCCO[C@H](C)C#N)cc1[N+](=O)[O-] ZINC000801818380 645443255 /nfs/dbraw/zinc/44/32/55/645443255.db2.gz UZOWXGQASYFOOD-SNVBAGLBSA-N 0 0 308.290 2.079 10 30 DEEERN C=CCOc1ccc(C(=O)OCc2ccc[n+]([O-])c2)cc1OC ZINC000802178656 645492618 /nfs/dbraw/zinc/49/26/18/645492618.db2.gz XNBYVNVREXLLMB-UHFFFAOYSA-N 0 0 315.325 2.250 10 30 DEEERN C#CCC[C@H](O)CNC(=O)NCC1CC(c2ccccc2)C1 ZINC000802508386 645531275 /nfs/dbraw/zinc/53/12/75/645531275.db2.gz YXVLTXHDXMRCMW-PREGVCBESA-N 0 0 300.402 2.254 10 30 DEEERN C=C[C@@H](C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000802782275 645557512 /nfs/dbraw/zinc/55/75/12/645557512.db2.gz QIWJWOPDDJTSLQ-HIFRSBDPSA-N 0 0 323.414 2.266 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnn(Cc2ccccc2)c1Cl ZINC000803106954 645607166 /nfs/dbraw/zinc/60/71/66/645607166.db2.gz ZSXSXDUQZYHHCJ-CYBMUJFWSA-N 0 0 319.792 2.252 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCNC(=O)C(C)(C)C ZINC000804452744 645773244 /nfs/dbraw/zinc/77/32/44/645773244.db2.gz MLTNQOGPIZWNTE-MRXNPFEDSA-N 0 0 314.429 2.290 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccnc(C(=O)OC)c1 ZINC000804455234 645773929 /nfs/dbraw/zinc/77/39/29/645773929.db2.gz YBHPXJWAPIAQRR-INIZCTEOSA-N 0 0 322.364 2.233 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc2nncn2c1 ZINC000804454349 645774165 /nfs/dbraw/zinc/77/41/65/645774165.db2.gz PUKPVUFIFJGSEN-MRXNPFEDSA-N 0 0 304.353 2.094 10 30 DEEERN C=C(C)COc1cccc(NC(=O)NCc2cnn(C)n2)c1 ZINC000806253147 645811967 /nfs/dbraw/zinc/81/19/67/645811967.db2.gz ARGHRSTWBJRFRW-UHFFFAOYSA-N 0 0 301.350 2.092 10 30 DEEERN C#C[C@@H](C)NC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000806331299 645820089 /nfs/dbraw/zinc/82/00/89/645820089.db2.gz IHYNDUQOJIXPDW-SQFXPLBJSA-N 0 0 304.293 2.457 10 30 DEEERN C#Cc1cncc(C(=O)NCCOc2ccc(F)cc2F)c1 ZINC000806808712 645874856 /nfs/dbraw/zinc/87/48/56/645874856.db2.gz LOLJIRWFKXGCBI-UHFFFAOYSA-N 0 0 302.280 2.150 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1cc(COC(C)(C)C)on1 ZINC000807277670 645934375 /nfs/dbraw/zinc/93/43/75/645934375.db2.gz XATPJUULJZPDNH-UHFFFAOYSA-N 0 0 302.374 2.269 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@](O)(CC)C1 ZINC000807465886 645953762 /nfs/dbraw/zinc/95/37/62/645953762.db2.gz NEGWABQTSOVSSB-WMZOPIPTSA-N 0 0 300.402 2.177 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1(CO)CCCC1 ZINC000807468139 645954469 /nfs/dbraw/zinc/95/44/69/645954469.db2.gz PHEDAKMZVUKIDF-KRWDZBQOSA-N 0 0 314.429 2.473 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC1(CO)CCCC1 ZINC000807468129 645954561 /nfs/dbraw/zinc/95/45/61/645954561.db2.gz PCLXVQFEOSZVNP-MRXNPFEDSA-N 0 0 300.402 2.225 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@](C)(CO)CCC ZINC000807470957 645955908 /nfs/dbraw/zinc/95/59/08/645955908.db2.gz SAAUTMMEHKMWBU-WMZOPIPTSA-N 0 0 302.418 2.471 10 30 DEEERN COC(=O)C[C@H](C)C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 ZINC000151350857 646345923 /nfs/dbraw/zinc/34/59/23/646345923.db2.gz GFOUZFHWRVTBRX-WCQYABFASA-N 0 0 307.321 2.250 10 30 DEEERN CC(C)C(=O)N1CCC[C@@H]1C(=O)Oc1ccc(C#N)cc1F ZINC000158217990 646598542 /nfs/dbraw/zinc/59/85/42/646598542.db2.gz VVEQHRNLVYQPIP-CYBMUJFWSA-N 0 0 304.321 2.250 10 30 DEEERN C=CCNS(=O)(=O)c1cccc(C(=O)OCc2ccoc2)c1 ZINC000170723425 646661129 /nfs/dbraw/zinc/66/11/29/646661129.db2.gz YPFSYIDWHKVMQJ-UHFFFAOYSA-N 0 0 321.354 2.101 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1cc([N+](=O)[O-])cn1 ZINC000063275392 646762520 /nfs/dbraw/zinc/76/25/20/646762520.db2.gz NPGNICVSZAQKFQ-UHFFFAOYSA-N 0 0 317.305 2.345 10 30 DEEERN N#CCCCOC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000064106783 646816768 /nfs/dbraw/zinc/81/67/68/646816768.db2.gz MGDRLWXBTXOLSA-CYBMUJFWSA-N 0 0 306.387 2.129 10 30 DEEERN C=CCNC(=O)[C@@H](C)OC(=O)c1c[nH]c2ccc(OC)cc21 ZINC000730361771 647037271 /nfs/dbraw/zinc/03/72/71/647037271.db2.gz CSBBHPILTUJVLI-SNVBAGLBSA-N 0 0 302.330 2.024 10 30 DEEERN N#C[C@H](C(=O)CCCOc1ccc(F)cc1)C(=O)N1CCCC1 ZINC000124789521 647140713 /nfs/dbraw/zinc/14/07/13/647140713.db2.gz MRSRVNIHALWQBK-OAHLLOKOSA-N 0 0 318.348 2.316 10 30 DEEERN C#C[C@@H](OC(=O)[C@H](C)CS(=O)(=O)c1ccc(F)cc1)C1CC1 ZINC000152447511 647165991 /nfs/dbraw/zinc/16/59/91/647165991.db2.gz YYTVGKQBKAPDKH-IAQYHMDHSA-N 0 0 324.373 2.191 10 30 DEEERN C=CCC[C@H](C)OC(=O)[C@@H]1CCCN1S(=O)(=O)CCC ZINC000089320357 647268658 /nfs/dbraw/zinc/26/86/58/647268658.db2.gz DWKLDPUQWVLONB-STQMWFEESA-N 0 0 303.424 2.089 10 30 DEEERN C#C[C@@H](OC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1)C1CC1 ZINC000152798319 647279672 /nfs/dbraw/zinc/27/96/72/647279672.db2.gz FJDVHKDNLOBUET-OMFOHFGMSA-N 0 0 303.402 2.369 10 30 DEEERN COc1ccc(NC(=S)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000732625842 647633074 /nfs/dbraw/zinc/63/30/74/647633074.db2.gz OKEBXJBVEOABCY-AWEZNQCLSA-N 0 0 316.430 2.064 10 30 DEEERN N#C[C@@H]1CN(C(=O)NC2CC(c3ccccc3)C2)CCN1C1CC1 ZINC000732677101 647640660 /nfs/dbraw/zinc/64/06/60/647640660.db2.gz IIPFBSGJZLCACZ-LEOMRAHMSA-N 0 0 324.428 2.314 10 30 DEEERN Cc1cccc2c1CC[C@@H]2NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732704268 647645642 /nfs/dbraw/zinc/64/56/42/647645642.db2.gz VFJITTNRSMUKJJ-YJBOKZPZSA-N 0 0 324.428 2.364 10 30 DEEERN C#CCNC(=O)c1ccc(N[C@@H]2CCc3ccccc3C2)nc1 ZINC000732912837 647691501 /nfs/dbraw/zinc/69/15/01/647691501.db2.gz YKCQBJNBYZUPRL-QGZVFWFLSA-N 0 0 305.381 2.414 10 30 DEEERN C#CC[C@@H](OC(=O)CN1C(=O)CSc2ccccc21)C1CC1 ZINC000175341994 648344332 /nfs/dbraw/zinc/34/43/32/648344332.db2.gz XSRBSFDMUZJLRP-CQSZACIVSA-N 0 0 315.394 2.470 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)NCCCc2cccc(F)c2)c1 ZINC000069549977 648673775 /nfs/dbraw/zinc/67/37/75/648673775.db2.gz MAVHPDVFFBAIET-UHFFFAOYSA-N 0 0 324.355 2.495 10 30 DEEERN N#CC1(COC(=O)c2cnc([C@@H]3CCCO3)s2)CCOCC1 ZINC000183979728 649214927 /nfs/dbraw/zinc/21/49/27/649214927.db2.gz KKYDFTUIACIXRF-NSHDSACASA-N 0 0 322.386 2.472 10 30 DEEERN C#CCCNC(=O)Cn1c(=O)sc(C)c1-c1ccc(F)cc1 ZINC000733246299 649463180 /nfs/dbraw/zinc/46/31/80/649463180.db2.gz MFVLVIMFVACIIO-UHFFFAOYSA-N 0 0 318.373 2.164 10 30 DEEERN C#CCCNS(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000733320691 649542464 /nfs/dbraw/zinc/54/24/64/649542464.db2.gz CJLTXMDQSIYUAY-VQHVLOKHSA-N 0 0 314.204 2.363 10 30 DEEERN C#CCCNC(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 ZINC000733344286 649548603 /nfs/dbraw/zinc/54/86/03/649548603.db2.gz HXHQXERGKNXXIL-UHFFFAOYSA-N 0 0 302.374 2.058 10 30 DEEERN COC(=O)N[C@H](CC(C)C)C(=O)NCc1ccc(C#N)cc1F ZINC000105600825 651166256 /nfs/dbraw/zinc/16/62/56/651166256.db2.gz MHHKTUNKGRITOW-CQSZACIVSA-N 0 0 321.352 2.084 10 30 DEEERN C#CCOc1ccccc1OC(=O)[C@@H]1CCCN(C(=O)CC)C1 ZINC000107191407 651423881 /nfs/dbraw/zinc/42/38/81/651423881.db2.gz VJIUVGBRDRNYLX-CQSZACIVSA-N 0 0 315.369 2.253 10 30 DEEERN C=CCN(CC=C)C(=O)NC1CCN(C(=O)OC(C)C)CC1 ZINC000112751482 651582649 /nfs/dbraw/zinc/58/26/49/651582649.db2.gz QRBPCJAAOTVAOY-UHFFFAOYSA-N 0 0 309.410 2.379 10 30 DEEERN CNC(=O)[C@@H](C#N)C(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000132679267 684211985 /nfs/dbraw/zinc/21/19/85/684211985.db2.gz ZDAGHDJNMPHFPE-CABZTGNLSA-N 0 0 323.190 2.398 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N(C[C@@H](C)O)C(C)C ZINC000304857258 685262864 /nfs/dbraw/zinc/26/28/64/685262864.db2.gz ZCERZOIKIQVBQN-GFCCVEGCSA-N 0 0 308.353 2.461 10 30 DEEERN C=C(C)CNC(=S)N1CCC(c2nnc3ccccn32)CC1 ZINC000018162632 683857194 /nfs/dbraw/zinc/85/71/94/683857194.db2.gz SROZXDMRNWIZDC-UHFFFAOYSA-N 0 0 315.446 2.359 10 30 DEEERN C#CCN(CC#C)CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000076185677 683940987 /nfs/dbraw/zinc/94/09/87/683940987.db2.gz GNPQUMWPFQHQEN-INIZCTEOSA-N 0 0 302.805 2.476 10 30 DEEERN C=CCC[C@@H](C)OC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000089312021 684021883 /nfs/dbraw/zinc/02/18/83/684021883.db2.gz HHFZDHMQXACCQA-VXGBXAGGSA-N 0 0 308.378 2.137 10 30 DEEERN C#CCN(C(=O)CNC(=O)c1cc(C)cc(C)c1)C1CCCC1 ZINC000120224481 684093621 /nfs/dbraw/zinc/09/36/21/684093621.db2.gz WIDVYAVRIRUZJZ-UHFFFAOYSA-N 0 0 312.413 2.438 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)N[C@H](CC)c2nccs2)c1 ZINC000120387141 684095558 /nfs/dbraw/zinc/09/55/58/684095558.db2.gz FFJZSBYRMKBJTA-CYBMUJFWSA-N 0 0 313.382 2.330 10 30 DEEERN CCC(=O)N1CC[C@H](C(=O)OC[C@H](C#N)Cc2ccccc2)C1 ZINC000124854913 684139039 /nfs/dbraw/zinc/13/90/39/684139039.db2.gz AIOYUYCBSCJWOS-HOTGVXAUSA-N 0 0 314.385 2.171 10 30 DEEERN COc1ccc(CCCC(=O)[C@H](C#N)C(=O)N2CCCC2)cc1 ZINC000127874278 684166488 /nfs/dbraw/zinc/16/64/88/684166488.db2.gz DNUPSLSKEMAPAQ-INIZCTEOSA-N 0 0 314.385 2.349 10 30 DEEERN C=CCn1nnn(CN2CCO[C@@H](c3cccs3)C2)c1=S ZINC000128490691 684171519 /nfs/dbraw/zinc/17/15/19/684171519.db2.gz ZAYTZQNQIOHQDN-LLVKDONJSA-N 0 0 323.447 2.088 10 30 DEEERN N#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCCC[C@H]1CO ZINC000135296336 684234363 /nfs/dbraw/zinc/23/43/63/684234363.db2.gz JTIGYMUBTUQJAI-AAEUAGOBSA-N 0 0 321.352 2.401 10 30 DEEERN CCCC[C@@H](NC(=O)NCC)C(=O)[C@@H](C#N)c1ccccn1 ZINC000155961670 684282435 /nfs/dbraw/zinc/28/24/35/684282435.db2.gz XXUONADPVSWUHG-GXTWGEPZSA-N 0 0 302.378 2.136 10 30 DEEERN C=CCC[C@H](OC(=O)CC1(CS(C)(=O)=O)CC1)C1CC1 ZINC000159517483 684316164 /nfs/dbraw/zinc/31/61/64/684316164.db2.gz TYOUDBXWZJVLNY-ZDUSSCGKSA-N 0 0 300.420 2.489 10 30 DEEERN C[C@H](OC[C@H]1CCCO1)C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000246418808 685129749 /nfs/dbraw/zinc/12/97/49/685129749.db2.gz BRJBMHJCKGGLHQ-BHYGNILZSA-N 0 0 317.385 2.496 10 30 DEEERN C[C@@H](C#N)OCCOC(=O)c1cc(N)ccc1Br ZINC000302311632 685227921 /nfs/dbraw/zinc/22/79/21/685227921.db2.gz CVVONQKXRMXPQF-QMMMGPOBSA-N 0 0 313.151 2.117 10 30 DEEERN Cc1nnc(N2CCS[C@H](C(F)(F)F)C2)c(C#N)c1C ZINC000721429615 776827883 /nfs/dbraw/zinc/82/78/83/776827883.db2.gz XRVOVWFFBSJXDN-JTQLQIEISA-N 0 0 302.325 2.449 10 30 DEEERN C#Cc1ccc(C(=O)N[C@@H](c2nnc3ccccn32)C(C)C)cn1 ZINC000728821278 778511836 /nfs/dbraw/zinc/51/18/36/778511836.db2.gz LQFZDRRHZFYBEG-MRXNPFEDSA-N 0 0 319.368 2.233 10 30 DEEERN C#Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cn1 ZINC000728826076 778522743 /nfs/dbraw/zinc/52/27/43/778522743.db2.gz OUJGZAOHFFJDGX-UHFFFAOYSA-N 0 0 307.353 2.152 10 30 DEEERN COc1ccc(CNC(=O)c2noc3c2CCCC3)cc1C#N ZINC000746922381 786543391 /nfs/dbraw/zinc/54/33/91/786543391.db2.gz HXULNAUPBACPOL-UHFFFAOYSA-N 0 0 311.341 2.364 10 30 DEEERN C[C@H](CNc1ncc(C#N)cc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000715937769 792537605 /nfs/dbraw/zinc/53/76/05/792537605.db2.gz BWJDKDFTUFGSNO-JTQLQIEISA-N 0 0 306.322 2.063 10 30 DEEERN C#CC[C@@H](COC)NC(=O)c1ccc(F)c(Br)c1 ZINC000716849600 793010324 /nfs/dbraw/zinc/01/03/24/793010324.db2.gz VMKHSRYQGCDYLE-JTQLQIEISA-N 0 0 314.154 2.356 10 30 DEEERN N#CC1(C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)CCOCC1 ZINC000800087811 799309706 /nfs/dbraw/zinc/30/97/06/799309706.db2.gz QCLGJSIMDVPMNU-CQSZACIVSA-N 0 0 304.777 2.244 10 30 DEEERN CC1(CNS(=O)(=O)c2ccc(C#N)s2)CC(F)(F)C1 ZINC000720978132 1085234933 /nfs/dbraw/zinc/23/49/33/1085234933.db2.gz QGMBIRSNVMNTIG-UHFFFAOYSA-N 0 0 306.359 2.333 10 30 DEEERN N#Cc1cc(Br)cn(C[C@@H]2C[C@H]3CCC[C@H]3O2)c1=O ZINC000720884191 1086505668 /nfs/dbraw/zinc/50/56/68/1086505668.db2.gz ZAMWPGTYPACJCE-JIMOISOXSA-N 0 0 323.190 2.440 10 30 DEEERN CS[C@@H]1CC[C@H](NS(=O)(=O)c2cc(F)cc(C#N)c2)C1 ZINC000720036968 1089427532 /nfs/dbraw/zinc/42/75/32/1089427532.db2.gz JSCWOSDCGVMYQB-NWDGAFQWSA-N 0 0 314.407 2.260 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000355790566 1138321424 /nfs/dbraw/zinc/32/14/24/1138321424.db2.gz ZQKDDCSNSFJXNM-NEPJUHHUSA-N 0 0 308.344 2.111 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@H](O)c1cccc(OC(C)C)c1 ZINC000278354153 214110759 /nfs/dbraw/zinc/11/07/59/214110759.db2.gz LAYBJPCBUHJEEG-GOSISDBHSA-N 0 0 313.397 2.286 10 30 DEEERN C=CCn1c([C@H]2CCCCO2)nnc1N1CC2(C1)CCCO2 ZINC000624831721 365564488 /nfs/dbraw/zinc/56/44/88/365564488.db2.gz WKCCFPJYZGUCIS-CYBMUJFWSA-N 0 0 304.394 2.075 10 30 DEEERN C=CCn1c(-c2ncccc2C)nnc1N1CC2(C1)CCCO2 ZINC000624838998 365567193 /nfs/dbraw/zinc/56/71/93/365567193.db2.gz WSBMGWLDUMHMOE-UHFFFAOYSA-N 0 0 311.389 2.204 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)CC(=O)c1ccccc1 ZINC000612311259 361788581 /nfs/dbraw/zinc/78/85/81/361788581.db2.gz QEHKURORNJKQIO-XJKSGUPXSA-N 0 0 316.401 2.235 10 30 DEEERN C[C@@]1(NC(=O)NCc2ccc(C#N)cc2F)CCO[C@H]1C1CC1 ZINC000612371753 361806532 /nfs/dbraw/zinc/80/65/32/361806532.db2.gz PAFHHIVFNMPRCL-DOTOQJQBSA-N 0 0 317.364 2.454 10 30 DEEERN C[C@@]1(NC(=O)NCc2ccc(C#N)cc2F)CCO[C@@H]1C1CC1 ZINC000612371754 361806654 /nfs/dbraw/zinc/80/66/54/361806654.db2.gz PAFHHIVFNMPRCL-NVXWUHKLSA-N 0 0 317.364 2.454 10 30 DEEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612365276 361804508 /nfs/dbraw/zinc/80/45/08/361804508.db2.gz UTCYSTKUYKVPQT-DLBZAZTESA-N 0 0 319.405 2.400 10 30 DEEERN C=CC[C@H](C)NS(=O)(=O)C[C@H](Cc1ccc(F)cc1)OC ZINC000624973527 365602850 /nfs/dbraw/zinc/60/28/50/365602850.db2.gz HAWZMJYECWAVNC-WFASDCNBSA-N 0 0 315.410 2.267 10 30 DEEERN C=CCN(C1CC1)S(=O)(=O)C[C@H](OC)c1ccc(F)cc1 ZINC000625108402 365645434 /nfs/dbraw/zinc/64/54/34/365645434.db2.gz YRYYZWKTYQIZRP-HNNXBMFYSA-N 0 0 313.394 2.493 10 30 DEEERN C=C(C)COCCNC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC000612436100 361826375 /nfs/dbraw/zinc/82/63/75/361826375.db2.gz MBTGLYZMNUCBSW-UHFFFAOYSA-N 0 0 304.268 2.129 10 30 DEEERN C=CCOCCNC(=O)Nc1ccc(C[C@H](C)C(=O)OC)cc1 ZINC000612767038 361913129 /nfs/dbraw/zinc/91/31/29/361913129.db2.gz QKAFCACFGINWCQ-ZDUSSCGKSA-N 0 0 320.389 2.362 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cc(C)cc(OC)c1 ZINC000612836386 361928164 /nfs/dbraw/zinc/92/81/64/361928164.db2.gz ZXXDYYHVVZQXFB-INIZCTEOSA-N 0 0 304.390 2.091 10 30 DEEERN C=CCCCN(C)c1nnc([C@H]2COCCO2)n1CC1CC1 ZINC000612889431 361942371 /nfs/dbraw/zinc/94/23/71/361942371.db2.gz ZJDCEXHIYZHFDN-CQSZACIVSA-N 0 0 306.410 2.178 10 30 DEEERN CN(c1ccc2[nH]cnc2c1)S(=O)(=O)c1ccccc1C#N ZINC000082351528 185177057 /nfs/dbraw/zinc/17/70/57/185177057.db2.gz NCHADBQFOSNYMY-UHFFFAOYSA-N 0 0 312.354 2.260 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1nc2cc(C)ccc2n1C ZINC000278743247 214370197 /nfs/dbraw/zinc/37/01/97/214370197.db2.gz IXBODMODVNFTRI-CXAGYDPISA-N 0 0 313.401 2.479 10 30 DEEERN CC(C)c1nn(CCC#N)c(N)c1I ZINC000087418656 185224388 /nfs/dbraw/zinc/22/43/88/185224388.db2.gz HEMRGRAVZQDHFG-UHFFFAOYSA-N 0 0 304.135 2.107 10 30 DEEERN CC(C)c1nnsc1C(=O)Nc1ccccc1C#CCO ZINC000087443168 185225297 /nfs/dbraw/zinc/22/52/97/185225297.db2.gz GZXZUYBEJBHZRY-UHFFFAOYSA-N 0 0 301.371 2.258 10 30 DEEERN COc1ccc(Br)cc1[C@H](C#N)N1CCN(C)CC1 ZINC000088045067 185237876 /nfs/dbraw/zinc/23/78/76/185237876.db2.gz WEOVEKWZNOEOPI-ZDUSSCGKSA-N 0 0 324.222 2.270 10 30 DEEERN CCC[C@@H](COc1c(C)cc(C#N)cc1C)CS(N)(=O)=O ZINC000088163555 185240688 /nfs/dbraw/zinc/24/06/88/185240688.db2.gz SCJKTJWQIXBKJS-ZDUSSCGKSA-N 0 0 310.419 2.259 10 30 DEEERN CC(C)(CO)NC(=O)c1ccc(C#Cc2cccc(F)c2)cn1 ZINC000096933558 185392845 /nfs/dbraw/zinc/39/28/45/185392845.db2.gz MKALGTUQEDVBNV-UHFFFAOYSA-N 0 0 312.344 2.121 10 30 DEEERN C[C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1N ZINC000088507334 185254463 /nfs/dbraw/zinc/25/44/63/185254463.db2.gz JXPAGTKSYNMHNZ-FZMZJTMJSA-N 0 0 307.419 2.388 10 30 DEEERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1ncoc1C ZINC000329012658 529634550 /nfs/dbraw/zinc/63/45/50/529634550.db2.gz ITCSMIIWRUZIPW-CABZTGNLSA-N 0 0 311.407 2.387 10 30 DEEERN C=CCCO[C@H](C)C(=O)Nc1c[nH]cc(Br)c1=O ZINC000089990352 185275096 /nfs/dbraw/zinc/27/50/96/185275096.db2.gz DSELQBVLJYNWBD-MRVPVSSYSA-N 0 0 315.167 2.057 10 30 DEEERN C=CCN(CC=C)CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000096969282 185394433 /nfs/dbraw/zinc/39/44/33/185394433.db2.gz QECBANNNSOEWDB-UHFFFAOYSA-N 0 0 313.401 2.424 10 30 DEEERN Cc1cc(N2CCN([C@H](C)C#N)CC2)ncc1Br ZINC000166076181 197687259 /nfs/dbraw/zinc/68/72/59/197687259.db2.gz RLGNXZBUBUQRRG-LLVKDONJSA-N 0 0 309.211 2.187 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC000625351619 365742292 /nfs/dbraw/zinc/74/22/92/365742292.db2.gz WQSNJZVTFIKUCM-CYBMUJFWSA-N 0 0 306.431 2.266 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)C[C@H](OC)C2CCCC2)C1 ZINC000625355541 365744760 /nfs/dbraw/zinc/74/47/60/365744760.db2.gz RRKILBNLEASRAS-ZFWWWQNUSA-N 0 0 301.452 2.419 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000613839236 362228178 /nfs/dbraw/zinc/22/81/78/362228178.db2.gz UKYMBCWUWHRKDS-HNNXBMFYSA-N 0 0 322.449 2.408 10 30 DEEERN CCc1nc(C)c(NC(=O)C(=O)N(C[C@H](C)C#N)C2CC2)s1 ZINC000441933646 529726593 /nfs/dbraw/zinc/72/65/93/529726593.db2.gz NIKXJBZZXWKJQD-SECBINFHSA-N 0 0 320.418 2.103 10 30 DEEERN CN(C)c1nccc(CNC(=O)N2CC3(CCC3)[C@H]2C2CC2)n1 ZINC000329634116 529812636 /nfs/dbraw/zinc/81/26/36/529812636.db2.gz XAHMXNZWILPFOI-CQSZACIVSA-N 0 0 315.421 2.221 10 30 DEEERN C=CCN(C(=O)C(=O)Nc1cc(C)c(OC)cc1C)C1CC1 ZINC000278085618 213952088 /nfs/dbraw/zinc/95/20/88/213952088.db2.gz ODUWYIQCVVIEIV-UHFFFAOYSA-N 0 0 302.374 2.428 10 30 DEEERN N#Cc1cnccc1N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000614116134 362292213 /nfs/dbraw/zinc/29/22/13/362292213.db2.gz TYVYRJDIYFRNPF-SFHVURJKSA-N 0 0 321.359 2.479 10 30 DEEERN C=C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000272760324 210166338 /nfs/dbraw/zinc/16/63/38/210166338.db2.gz CIRNXMOXGKNLJF-UHFFFAOYSA-N 0 0 306.309 2.441 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000614477927 362393652 /nfs/dbraw/zinc/39/36/52/362393652.db2.gz VQPFLBJIRNECPD-OLZOCXBDSA-N 0 0 302.365 2.399 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCOc2cccc(F)c2C1 ZINC000614526573 362402267 /nfs/dbraw/zinc/40/22/67/362402267.db2.gz IRDGCISMJZUZCR-OAHLLOKOSA-N 0 0 320.364 2.018 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@]12C[C@@H]1COC2(C)C ZINC000614722900 362445451 /nfs/dbraw/zinc/44/54/51/362445451.db2.gz WECUQMMFWBQQOE-FZKQIMNGSA-N 0 0 319.401 2.492 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1Cc2ccccc2O[C@H](C)C1 ZINC000615207176 362557861 /nfs/dbraw/zinc/55/78/61/362557861.db2.gz XZQFOEDBMDCICT-CJNGLKHVSA-N 0 0 316.401 2.267 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](c2ccccn2)C1 ZINC000615250874 362566586 /nfs/dbraw/zinc/56/65/86/362566586.db2.gz MMTUVSLSDHIDGD-WBVHZDCISA-N 0 0 315.417 2.259 10 30 DEEERN C=CCNC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000111432633 185600042 /nfs/dbraw/zinc/60/00/42/185600042.db2.gz DXLBLGLKJCBAAH-GFCCVEGCSA-N 0 0 309.360 2.414 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CCO[C@H](C(C)C)C1 ZINC000615838557 362712585 /nfs/dbraw/zinc/71/25/85/362712585.db2.gz IDPJBJGNVFZTBB-PMPSAXMXSA-N 0 0 310.438 2.025 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)c1nnn(C(C)(C)C)n1 ZINC000616300832 362821073 /nfs/dbraw/zinc/82/10/73/362821073.db2.gz DTQFLGXXRYMQOF-CQSZACIVSA-N 0 0 313.405 2.345 10 30 DEEERN CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(C#N)oc1C ZINC000286906722 219220541 /nfs/dbraw/zinc/22/05/41/219220541.db2.gz PKGBNKZGWFHRKO-CWRNSKLLSA-N 0 0 318.373 2.116 10 30 DEEERN Cc1nnc(NC(=O)c2cccc(C#CCCO)c2C)s1 ZINC000123701081 185834638 /nfs/dbraw/zinc/83/46/38/185834638.db2.gz KVJKWXSZNIFEHF-UHFFFAOYSA-N 0 0 301.371 2.141 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000277518461 213585803 /nfs/dbraw/zinc/58/58/03/213585803.db2.gz GKGLRXMHYRNHMR-YOEHRIQHSA-N 0 0 304.438 2.416 10 30 DEEERN C=CCn1c(SCCCCS(C)(=O)=O)nnc1C1CC1 ZINC000162381770 539597265 /nfs/dbraw/zinc/59/72/65/539597265.db2.gz DUQULJYOGFKQBP-UHFFFAOYSA-N 0 0 315.464 2.258 10 30 DEEERN CC(C)(C#N)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000070139291 190862207 /nfs/dbraw/zinc/86/22/07/190862207.db2.gz BZWSRUBMSZONMF-UHFFFAOYSA-N 0 0 305.809 2.329 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC000616720479 362921938 /nfs/dbraw/zinc/92/19/38/362921938.db2.gz NEOTWLFAOPALHB-ZBFHGGJFSA-N 0 0 322.449 2.408 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@]1(COC)CCOC1 ZINC000413992837 404468675 /nfs/dbraw/zinc/46/86/75/404468675.db2.gz YPLBJCOBZWPMIR-AEFFLSMTSA-N 0 0 303.402 2.343 10 30 DEEERN C=CCN(C[C@H](C)C(=O)OC)C(=O)c1cc(OC)cc(OC)c1 ZINC000071611644 190993307 /nfs/dbraw/zinc/99/33/07/190993307.db2.gz BVKKPQILXHMPLD-LBPRGKRZSA-N 0 0 321.373 2.141 10 30 DEEERN C=CCN(CCC(=O)OC)C(=O)c1ccc(Br)o1 ZINC000071626128 190995868 /nfs/dbraw/zinc/99/58/68/190995868.db2.gz FOIIRSOWQDPGET-UHFFFAOYSA-N 0 0 316.151 2.233 10 30 DEEERN CN(C)c1ccc2c(c1)[C@@H](C#N)N(CCCCn1ccnc1)C2=O ZINC000071679185 191005338 /nfs/dbraw/zinc/00/53/38/191005338.db2.gz SLOSZANEJQEASH-QGZVFWFLSA-N 0 0 323.400 2.450 10 30 DEEERN C[C@@H]1[C@H](C)SCCN1C(=O)c1csc(C#CCCO)c1 ZINC000133649781 186003485 /nfs/dbraw/zinc/00/34/85/186003485.db2.gz VTTHDPSFJQMPBK-NEPJUHHUSA-N 0 0 309.456 2.448 10 30 DEEERN Cc1ccc(C#CCO)cc1C(=O)N1CCS[C@H](C)[C@@H]1C ZINC000133657899 186003929 /nfs/dbraw/zinc/00/39/29/186003929.db2.gz RUCNVPNDPPIVQT-UONOGXRCSA-N 0 0 303.427 2.305 10 30 DEEERN Cc1cc(C(=O)N2CCS[C@H](C)[C@H]2C)ccc1C#CCO ZINC000133659962 186004070 /nfs/dbraw/zinc/00/40/70/186004070.db2.gz CLICCPRRSFLNLM-ZIAGYGMSSA-N 0 0 303.427 2.305 10 30 DEEERN Cc1ccc(C(=O)N2CCS[C@H](C)[C@@H]2C)cc1C#CCO ZINC000133648972 186003655 /nfs/dbraw/zinc/00/36/55/186003655.db2.gz ADZLJASDJZITKA-UONOGXRCSA-N 0 0 303.427 2.305 10 30 DEEERN C[C@@H]1CCC[C@H](C)N1NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000147787455 186041866 /nfs/dbraw/zinc/04/18/66/186041866.db2.gz ZQMVFMBAFXHWPG-BETUJISGSA-N 0 0 307.419 2.156 10 30 DEEERN Cc1cccc(C(=O)NCc2sccc2C#CCO)c1O ZINC000148535746 186044996 /nfs/dbraw/zinc/04/49/96/186044996.db2.gz RMUPJPVHLCXQLX-UHFFFAOYSA-N 0 0 301.367 2.036 10 30 DEEERN COc1ccc(C#N)cc1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000155733861 186107568 /nfs/dbraw/zinc/10/75/68/186107568.db2.gz FSQWRVOOMXGLQF-ZDUSSCGKSA-N 0 0 300.280 2.066 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCC(=O)Nc1cccc(F)c1 ZINC000163994714 186145180 /nfs/dbraw/zinc/14/51/80/186145180.db2.gz KETZDXJIQVMNLD-UHFFFAOYSA-N 0 0 311.316 2.374 10 30 DEEERN Cc1nc(C)c(C(=O)NCc2cc(C#CCCO)cs2)o1 ZINC000159617476 186130831 /nfs/dbraw/zinc/13/08/31/186130831.db2.gz OAFCYKSJKTYCKN-UHFFFAOYSA-N 0 0 304.371 2.017 10 30 DEEERN C=CCNC(=O)c1ccc(N2CC[C@H](C(C)(C)C)[C@@H](O)C2)nc1 ZINC000273326413 186428981 /nfs/dbraw/zinc/42/89/81/186428981.db2.gz QEXRKCWBXPNNBV-GJZGRUSLSA-N 0 0 317.433 2.231 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C)c(C(N)=O)cn1 ZINC000617044439 363007845 /nfs/dbraw/zinc/00/78/45/363007845.db2.gz NKTBEXMOEJERRG-JSGCOSHPSA-N 0 0 301.390 2.354 10 30 DEEERN C=CCSCCNC(=O)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595491996 358463432 /nfs/dbraw/zinc/46/34/32/358463432.db2.gz JVLRJOJXJFMHIW-CABCVRRESA-N 0 0 322.478 2.350 10 30 DEEERN C=C[C@@H](CC(=O)N1CC[C@H](Cn2ccnn2)C1)c1ccccc1 ZINC000617258458 363067622 /nfs/dbraw/zinc/06/76/22/363067622.db2.gz JAVJRSYHJITMDJ-HOTGVXAUSA-N 0 0 310.401 2.487 10 30 DEEERN CC(C)[C@@H](O)CNC(=O)NCCSCc1ccccc1C#N ZINC000172595600 198120872 /nfs/dbraw/zinc/12/08/72/198120872.db2.gz KHEHCWZBSGZLBQ-HNNXBMFYSA-N 0 0 321.446 2.108 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCc1ccc(CC)cc1 ZINC000285779585 539826199 /nfs/dbraw/zinc/82/61/99/539826199.db2.gz COQXNAKOEIOPTN-UHFFFAOYSA-N 0 0 302.418 2.332 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCn3cncc3C1)CCC2 ZINC000328916622 539911702 /nfs/dbraw/zinc/91/17/02/539911702.db2.gz ANMNNEUZVAPGQF-KGLIPLIRSA-N 0 0 313.405 2.485 10 30 DEEERN CN(C)C(=O)Nc1cccc(C(=O)N2CC3(C2)CCCOC3)c1 ZINC000329326164 539917695 /nfs/dbraw/zinc/91/76/95/539917695.db2.gz JFLQENICQDBYON-UHFFFAOYSA-N 0 0 317.389 2.046 10 30 DEEERN C[C@]12CCCN1C[C@H](c1noc(C3(C#N)CCCC3)n1)OC2 ZINC000329639909 539925829 /nfs/dbraw/zinc/92/58/29/539925829.db2.gz ZGSKMBBKIQPIHC-IUODEOHRSA-N 0 0 302.378 2.331 10 30 DEEERN C=CCN(C(=O)c1csc(-c2ncccn2)n1)[C@@H](C)COC ZINC000617576796 363194159 /nfs/dbraw/zinc/19/41/59/363194159.db2.gz ACGWXKHBWCXRIK-NSHDSACASA-N 0 0 318.402 2.263 10 30 DEEERN C=CCN(C(=O)c1cccc(-n2cc[nH]c2=O)c1)[C@@H](C)COC ZINC000617584764 363197384 /nfs/dbraw/zinc/19/73/84/363197384.db2.gz KZAPNZSNNCJIKA-ZDUSSCGKSA-N 0 0 315.373 2.241 10 30 DEEERN C[C@@]12CN(S(=O)(=O)c3cncc(C#N)c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333099789 539948572 /nfs/dbraw/zinc/94/85/72/539948572.db2.gz PSOLTAKTPOIPDP-VRKREXBASA-N 0 0 317.414 2.010 10 30 DEEERN C=CCCNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000617614926 363203593 /nfs/dbraw/zinc/20/35/93/363203593.db2.gz UALBWASMGYQRRD-OAHLLOKOSA-N 0 0 318.392 2.299 10 30 DEEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CSC(=O)N1 ZINC000073121214 191280486 /nfs/dbraw/zinc/28/04/86/191280486.db2.gz YBYDGCQBCYQVCR-ZDUSSCGKSA-N 0 0 303.387 2.120 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN2CCO[C@](C)(COC)C2)c1C ZINC000626173283 366092804 /nfs/dbraw/zinc/09/28/04/366092804.db2.gz QSQSXWQVLRAJND-SFHVURJKSA-N 0 0 320.433 2.211 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1 ZINC000617782270 363263372 /nfs/dbraw/zinc/26/33/72/363263372.db2.gz BPRVBTCRFKFVKJ-GFCCVEGCSA-N 0 0 303.406 2.413 10 30 DEEERN N#Cc1ccc(CNC(=O)c2cc(F)cc3n[nH]nc32)c(F)c1 ZINC000617918681 363307095 /nfs/dbraw/zinc/30/70/95/363307095.db2.gz IFEKAUIPINIBME-UHFFFAOYSA-N 0 0 313.267 2.038 10 30 DEEERN C#CCCCCC(=O)Nc1cc2c(cc1C(=O)OC)OCO2 ZINC000277052713 213264700 /nfs/dbraw/zinc/26/47/00/213264700.db2.gz LPTJBKSUQWAKLT-UHFFFAOYSA-N 0 0 303.314 2.334 10 30 DEEERN CO[C@H](COc1cccc2ccccc21)COS(C)(=O)=O ZINC000034309966 354161177 /nfs/dbraw/zinc/16/11/77/354161177.db2.gz YAEXFWXQZFURRA-CYBMUJFWSA-N 0 0 310.371 2.210 10 30 DEEERN CC/C(=N\NS(=O)(=O)c1ccc(N)cc1)c1ccccc1 ZINC000004367061 181102744 /nfs/dbraw/zinc/10/27/44/181102744.db2.gz DXZIIMUVOPKBGA-BMRADRMJSA-N 0 0 303.387 2.361 10 30 DEEERN Cc1ccc(S(=O)(=O)OC[C@@H]2C[C@H]3CC[C@@H]2[C@H](O)C3)cc1 ZINC000004368186 181103284 /nfs/dbraw/zinc/10/32/84/181103284.db2.gz VCJFSTFQGVERGM-BFJAYTPKSA-N 0 0 310.415 2.497 10 30 DEEERN Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)cc1C(N)=O ZINC000066441399 354715269 /nfs/dbraw/zinc/71/52/69/354715269.db2.gz JRMMDVCIICVYNC-LBPRGKRZSA-N 0 0 323.352 2.372 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2ccc(C(N)=O)cc2OC)C1 ZINC000626583060 366232304 /nfs/dbraw/zinc/23/23/04/366232304.db2.gz DTNWLCUWGQGHHQ-NSHDSACASA-N 0 0 303.362 2.224 10 30 DEEERN C=CCOc1ccc(CC(=O)N2C[C@@H](C)C(=O)[C@H](C)C2)cc1 ZINC000618099087 363376321 /nfs/dbraw/zinc/37/63/21/363376321.db2.gz IMJQWKRRGQOPQN-ZIAGYGMSSA-N 0 0 301.386 2.477 10 30 DEEERN C=CCCCN(C)C(=O)NCc1ccccc1Cn1cncn1 ZINC000076947091 355174576 /nfs/dbraw/zinc/17/45/76/355174576.db2.gz BBJVVCPYVYOYJI-UHFFFAOYSA-N 0 0 313.405 2.434 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(C)nn1C(C)(C)C ZINC000077861279 355233774 /nfs/dbraw/zinc/23/37/74/355233774.db2.gz MWDHETJKOPUOEI-UHFFFAOYSA-N 0 0 306.410 2.310 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1C[C@H](C)Oc2ccccc21 ZINC000077862430 355234168 /nfs/dbraw/zinc/23/41/68/355234168.db2.gz PFAWQHGJCUSJTG-ZDUSSCGKSA-N 0 0 302.374 2.225 10 30 DEEERN CN1c2cc(CC(=O)Nc3ccc(C#N)cc3)ccc2OCC1=O ZINC000074965793 191397721 /nfs/dbraw/zinc/39/77/21/191397721.db2.gz FHSIGJFNMWZKMO-UHFFFAOYSA-N 0 0 321.336 2.095 10 30 DEEERN N#Cc1ccccc1OCC(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000079996158 355340943 /nfs/dbraw/zinc/34/09/43/355340943.db2.gz YQEYCWQYLCIWOR-SFHVURJKSA-N 0 0 314.385 2.356 10 30 DEEERN C=CCOCCCC(=O)N(C)Cc1nc(-c2cccnc2)no1 ZINC000080215846 355352990 /nfs/dbraw/zinc/35/29/90/355352990.db2.gz NOXZWDGURPMIRC-UHFFFAOYSA-N 0 0 316.361 2.073 10 30 DEEERN C=CCOc1ccc(CN(CC=C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000092360975 355630057 /nfs/dbraw/zinc/63/00/57/355630057.db2.gz KFLIAFHGVLKMMI-MRXNPFEDSA-N 0 0 321.442 2.427 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)COCC)cc1 ZINC000147725240 355912850 /nfs/dbraw/zinc/91/28/50/355912850.db2.gz OCJAMTDLWFAEEF-LBPRGKRZSA-N 0 0 305.378 2.149 10 30 DEEERN COc1cccc(F)c1[C@@H](C)NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000179895956 356036329 /nfs/dbraw/zinc/03/63/29/356036329.db2.gz CYBINSJDWCFLER-DIFFPNOSSA-N 0 0 319.380 2.293 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1c(F)cccc1OC ZINC000179906572 356037506 /nfs/dbraw/zinc/03/75/06/356037506.db2.gz UOONLSLDGTULJG-OLZOCXBDSA-N 0 0 321.396 2.493 10 30 DEEERN CC(C)C(=O)NCCCNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180878435 356064882 /nfs/dbraw/zinc/06/48/82/356064882.db2.gz IOQYDWJBZMXRMI-UHFFFAOYSA-N 0 0 313.401 2.134 10 30 DEEERN N#CC1(c2ccc(C(=O)Nc3nc(C(N)=O)cs3)cc2)CC1 ZINC000180912888 356065874 /nfs/dbraw/zinc/06/58/74/356065874.db2.gz HAPCOKFZBGSIHK-UHFFFAOYSA-N 0 0 312.354 2.049 10 30 DEEERN C=CCNC(=O)CNC(=O)c1ccc(OC2CCCCC2)cc1 ZINC000181609341 356087511 /nfs/dbraw/zinc/08/75/11/356087511.db2.gz ZUDUSWRXBNNDSN-UHFFFAOYSA-N 0 0 316.401 2.430 10 30 DEEERN COc1ccc(CNC(=O)NC[C@@H](C)C#N)cc1OC(F)F ZINC000182504202 356129560 /nfs/dbraw/zinc/12/95/60/356129560.db2.gz APXRJPOYFIZLQE-VIFPVBQESA-N 0 0 313.304 2.255 10 30 DEEERN C[C@@H](C#N)CNC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000182633911 356133976 /nfs/dbraw/zinc/13/39/76/356133976.db2.gz ROHRAZRPVMJEFD-NSHDSACASA-N 0 0 316.336 2.482 10 30 DEEERN C[C@@H](C#N)CNC(=O)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000182842921 356148339 /nfs/dbraw/zinc/14/83/39/356148339.db2.gz TVAXJFPFQBKGOC-ZDUSSCGKSA-N 0 0 320.437 2.017 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccc(Br)s1 ZINC000182879640 356150109 /nfs/dbraw/zinc/15/01/09/356150109.db2.gz YQGYXGVVOXLLDE-MRVPVSSYSA-N 0 0 319.224 2.247 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(NC(C)=O)ccc1Cl ZINC000184492437 356191805 /nfs/dbraw/zinc/19/18/05/356191805.db2.gz PJLJRQAOLQHRFP-LLVKDONJSA-N 0 0 311.769 2.357 10 30 DEEERN C=CCSCCNC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000194478016 356240169 /nfs/dbraw/zinc/24/01/69/356240169.db2.gz QWGNKWYMEIKYRK-CQSZACIVSA-N 0 0 300.468 2.209 10 30 DEEERN Nc1ccc(NC(=O)N2CCC(CCCC(=O)NO)CC2)cc1 ZINC000230562626 356283783 /nfs/dbraw/zinc/28/37/83/356283783.db2.gz LMXCZMYBKFGUTP-UHFFFAOYSA-N 0 0 320.393 2.188 10 30 DEEERN N#Cc1cnc(OC(F)(F)F)c(I)c1 ZINC000238547546 356304499 /nfs/dbraw/zinc/30/44/99/356304499.db2.gz MNIUBYSAHVQVSR-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000081080735 192223320 /nfs/dbraw/zinc/22/33/20/192223320.db2.gz WDODBLOAPMDRLI-UHFFFAOYSA-N 0 0 300.343 2.125 10 30 DEEERN COc1ccc(CC#N)c(OC)c1I ZINC000306596256 356404676 /nfs/dbraw/zinc/40/46/76/356404676.db2.gz MEPCGCRYACLFTM-UHFFFAOYSA-N 0 0 303.099 2.374 10 30 DEEERN Cc1ccc([C@H](O)CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)o1 ZINC000328631809 356464415 /nfs/dbraw/zinc/46/44/15/356464415.db2.gz RJAZPSGWRRGIEH-UXIGCNINSA-N 0 0 319.361 2.089 10 30 DEEERN Cc1cnc(CCNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)s1 ZINC000328617640 356460411 /nfs/dbraw/zinc/46/04/11/356460411.db2.gz CYGMKQWGFHWUGB-BXUZGUMPSA-N 0 0 320.418 2.462 10 30 DEEERN CCc1ncc(C(=O)N[C@@H](c2nc(C)no2)C2CCOCC2)[nH]1 ZINC000328615185 356460531 /nfs/dbraw/zinc/46/05/31/356460531.db2.gz YANADQNKTBFRPT-CYBMUJFWSA-N 0 0 319.365 2.136 10 30 DEEERN Cc1cscc1NC(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 ZINC000328627192 356463285 /nfs/dbraw/zinc/46/32/85/356463285.db2.gz MOVQGPMPFDMHMM-GFCCVEGCSA-N 0 0 305.407 2.314 10 30 DEEERN N#CCc1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000081298405 192246569 /nfs/dbraw/zinc/24/65/69/192246569.db2.gz QOXSTBTWBDSAAE-UHFFFAOYSA-N 0 0 306.412 2.335 10 30 DEEERN CCN(C(=O)c1cc(C#N)cn1C)c1ccccc1C(=O)OC ZINC000081539900 192285770 /nfs/dbraw/zinc/28/57/70/192285770.db2.gz WXHFLWDMSPRYMA-UHFFFAOYSA-N 0 0 311.341 2.350 10 30 DEEERN C=CCNC(=O)Cc1noc(CCCc2ccc(F)c(F)c2)n1 ZINC000350717335 356561336 /nfs/dbraw/zinc/56/13/36/356561336.db2.gz RXDJPPMGYLXUEJ-UHFFFAOYSA-N 0 0 321.327 2.368 10 30 DEEERN C=CCOCCCNC(=O)c1cccc(C(=O)N(C)CC)c1 ZINC000618522292 363514304 /nfs/dbraw/zinc/51/43/04/363514304.db2.gz BYSWZKULGHJYEL-UHFFFAOYSA-N 0 0 304.390 2.101 10 30 DEEERN C=CCOCCCNC(=O)c1ccn(-c2ccc(OC)cc2)n1 ZINC000618521368 363514549 /nfs/dbraw/zinc/51/45/49/363514549.db2.gz UAWOQHDHVRNRFI-UHFFFAOYSA-N 0 0 315.373 2.203 10 30 DEEERN C=CCCc1noc(CN2C(=O)N(C)C3(CCCCC3)C2=O)n1 ZINC000351130903 356619347 /nfs/dbraw/zinc/61/93/47/356619347.db2.gz NPLHQHSTRJJNSE-UHFFFAOYSA-N 0 0 318.377 2.285 10 30 DEEERN C=CCC1(c2nc(-c3ccc(=O)n(C)c3)no2)CCOCC1 ZINC000351291450 356648469 /nfs/dbraw/zinc/64/84/69/356648469.db2.gz LTZQYLXTRSGIQD-UHFFFAOYSA-N 0 0 301.346 2.060 10 30 DEEERN C=CCCn1cc(-c2nc(-c3c(C)onc3CC)no2)nn1 ZINC000351295172 356649305 /nfs/dbraw/zinc/64/93/05/356649305.db2.gz PHKYIZSXJFOPAY-UHFFFAOYSA-N 0 0 300.322 2.430 10 30 DEEERN N#CCCOCCS(=O)(=O)c1cccc(Br)c1 ZINC000385237500 356687813 /nfs/dbraw/zinc/68/78/13/356687813.db2.gz PFSZWAPBPQMMAV-UHFFFAOYSA-N 0 0 318.192 2.153 10 30 DEEERN C=CCOCCCNC(=O)Nc1cc(C2CCOCC2)nn1C ZINC000626862622 366347641 /nfs/dbraw/zinc/34/76/41/366347641.db2.gz OFAHZADVVFDAAF-UHFFFAOYSA-N 0 0 322.409 2.028 10 30 DEEERN Cc1ncc(S(=O)(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1C#N ZINC000387355189 356702742 /nfs/dbraw/zinc/70/27/42/356702742.db2.gz XADNJDGBAUHDGT-ZIBATOQPSA-N 0 0 307.419 2.365 10 30 DEEERN C=CCCCCCNC(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000578140363 356768499 /nfs/dbraw/zinc/76/84/99/356768499.db2.gz HQWDGOCXGMZCPQ-SFHVURJKSA-N 0 0 300.402 2.307 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1nc(COC)cs1 ZINC000579970952 357061208 /nfs/dbraw/zinc/06/12/08/357061208.db2.gz PWYIRWIPNJSEED-UHFFFAOYSA-N 0 0 311.407 2.091 10 30 DEEERN C=CCCCCCNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)OC ZINC000579972232 357062055 /nfs/dbraw/zinc/06/20/55/357062055.db2.gz RIFQNZNSGDZXGC-KBPBESRZSA-N 0 0 317.451 2.384 10 30 DEEERN CCOC(=O)CC[C@H]1CCCN(c2nc(C)cc(C#N)n2)C1 ZINC000588005338 357387715 /nfs/dbraw/zinc/38/77/15/357387715.db2.gz SPXZDLCHZPLHIW-CYBMUJFWSA-N 0 0 302.378 2.216 10 30 DEEERN C=C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)C(=O)OC ZINC000589267292 357460082 /nfs/dbraw/zinc/46/00/82/357460082.db2.gz LGSXCWNVDPMFIZ-ZNMIVQPWSA-N 0 0 310.344 2.027 10 30 DEEERN C=CCOC[C@@H](N[C@H]1CCCc2ccccc2C1)C(=O)OC ZINC000590652738 357572343 /nfs/dbraw/zinc/57/23/43/357572343.db2.gz VAAZSLHLPQVCHH-DLBZAZTESA-N 0 0 303.402 2.268 10 30 DEEERN CC(C)[C@@H](O)CC(=O)NCCSCc1ccccc1C#N ZINC000178866491 198943522 /nfs/dbraw/zinc/94/35/22/198943522.db2.gz XHUZFROPAIMETH-HNNXBMFYSA-N 0 0 306.431 2.315 10 30 DEEERN C=CCn1c([C@H]2CCCOC2)nnc1N1CCC(CC#N)CC1 ZINC000591615176 357744183 /nfs/dbraw/zinc/74/41/83/357744183.db2.gz YLWYJNLRIRMRIH-HNNXBMFYSA-N 0 0 315.421 2.488 10 30 DEEERN C=CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592745587 357934851 /nfs/dbraw/zinc/93/48/51/357934851.db2.gz BAIDNRYVUXRYDG-UHFFFAOYSA-N 0 0 320.190 2.059 10 30 DEEERN C=CCOC[C@@H](NC(=O)c1coc2ccc(F)cc12)C(=O)OC ZINC000592796786 357946232 /nfs/dbraw/zinc/94/62/32/357946232.db2.gz HDSHPNPFICESDH-CYBMUJFWSA-N 0 0 321.304 2.046 10 30 DEEERN C=CCCn1cc(C[S@](=O)c2ccc3c(c2)CCO3)nn1 ZINC000593944118 358175603 /nfs/dbraw/zinc/17/56/03/358175603.db2.gz YUDGBRORKYHAJX-NRFANRHFSA-N 0 0 303.387 2.097 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cncc(C#N)c1 ZINC000594790145 358337712 /nfs/dbraw/zinc/33/77/12/358337712.db2.gz SIAHGURXHRBAJN-HIFRSBDPSA-N 0 0 305.403 2.366 10 30 DEEERN C=CCC1(NS(=O)(=O)CC2(C#N)CCCC2)CCOCC1 ZINC000594844446 358347498 /nfs/dbraw/zinc/34/74/98/358347498.db2.gz FXFNTLBAGJLTSU-UHFFFAOYSA-N 0 0 312.435 2.115 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NC[C@]1(C)CC1(F)F ZINC000594849890 358347719 /nfs/dbraw/zinc/34/77/19/358347719.db2.gz AUEFBDWWENAGFV-LBPRGKRZSA-N 0 0 300.330 2.190 10 30 DEEERN C=CCCSCCNC(=O)NC[C@H]1COc2ccccc2O1 ZINC000595423190 358444852 /nfs/dbraw/zinc/44/48/52/358444852.db2.gz MNBOARMCJBNBFL-ZDUSSCGKSA-N 0 0 322.430 2.435 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595374135 358434684 /nfs/dbraw/zinc/43/46/84/358434684.db2.gz YGXOQMIRAXHCIV-TXEJJXNPSA-N 0 0 308.359 2.467 10 30 DEEERN C=CCCSCCNC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000595726679 358534050 /nfs/dbraw/zinc/53/40/50/358534050.db2.gz YJFZCELIRJMSCW-LLVKDONJSA-N 0 0 312.357 2.004 10 30 DEEERN C=CCOCCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000596472461 358693805 /nfs/dbraw/zinc/69/38/05/358693805.db2.gz HHRUMRKKJBVJSE-UHFFFAOYSA-N 0 0 314.363 2.003 10 30 DEEERN C=CCCSCCNC(=O)N[C@H]1CCCCC[C@@H]1C(N)=O ZINC000596718534 358745844 /nfs/dbraw/zinc/74/58/44/358745844.db2.gz ZNAFLZZXIKIAGV-STQMWFEESA-N 0 0 313.467 2.029 10 30 DEEERN C=CCCSCCNC(=O)N1Cc2ccccc2NC(=O)C1 ZINC000596720157 358746606 /nfs/dbraw/zinc/74/66/06/358746606.db2.gz ZJLLFHSKWFQFJZ-UHFFFAOYSA-N 0 0 319.430 2.460 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cnc2n1CCOC2 ZINC000596973065 358796946 /nfs/dbraw/zinc/79/69/46/358796946.db2.gz FGFSHCAYHISGCZ-UHFFFAOYSA-N 0 0 322.368 2.113 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](OC)[C@H]1CCOC1 ZINC000596975232 358797711 /nfs/dbraw/zinc/79/77/11/358797711.db2.gz ZBWRSCCHWMVFJB-IRXDYDNUSA-N 0 0 314.385 2.124 10 30 DEEERN C=CCOC[C@H](N[C@@H](C)c1cc2cnccc2o1)C(=O)OC ZINC000597116855 358828626 /nfs/dbraw/zinc/82/86/26/358828626.db2.gz KAZBJVKSHABEAX-AAEUAGOBSA-N 0 0 304.346 2.223 10 30 DEEERN CC#CCCNC(=O)C1(CC(=O)OC(C)(C)C)CCOCC1 ZINC000597484647 358929870 /nfs/dbraw/zinc/92/98/70/358929870.db2.gz XADSHYAYZSJRFE-UHFFFAOYSA-N 0 0 309.406 2.045 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000597491858 358931521 /nfs/dbraw/zinc/93/15/21/358931521.db2.gz KUWOPGLDLWIWLI-LBPRGKRZSA-N 0 0 321.333 2.013 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)Nc1cn(C)nc1-c1ccco1 ZINC000627451714 366527688 /nfs/dbraw/zinc/52/76/88/366527688.db2.gz NZFGQNGYYKIPIQ-UHFFFAOYSA-N 0 0 316.361 2.043 10 30 DEEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(Cl)cc1C(C)C ZINC000627470318 366528778 /nfs/dbraw/zinc/52/87/78/366528778.db2.gz OVYCTDCKKZRDSS-GFCCVEGCSA-N 0 0 324.808 2.455 10 30 DEEERN C=CCCC1(CNC(=O)[C@H](C)n2cnc(C#N)n2)CCCC1 ZINC000597926521 359044079 /nfs/dbraw/zinc/04/40/79/359044079.db2.gz CPOKJQPJHZBFAG-ZDUSSCGKSA-N 0 0 301.394 2.354 10 30 DEEERN C=CCC[C@@H](NC(=O)c1c(C2CCC2)cnn1C)C(=O)OCC ZINC000597731564 358992084 /nfs/dbraw/zinc/99/20/84/358992084.db2.gz CFLJFBFWTNDNCY-CQSZACIVSA-N 0 0 319.405 2.315 10 30 DEEERN C=CCOCCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598207216 359122966 /nfs/dbraw/zinc/12/29/66/359122966.db2.gz OQLSTWAQWMVJHB-UHFFFAOYSA-N 0 0 317.345 2.328 10 30 DEEERN C=C[C@@H](O)C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000598202552 359122068 /nfs/dbraw/zinc/12/20/68/359122068.db2.gz JRZCVRFRYBBAKK-UKRRQHHQSA-N 0 0 317.385 2.396 10 30 DEEERN C=CCCSCCNC(=O)[C@@H]1CCc2nnc(C3CC3)n2C1 ZINC000597970049 359055249 /nfs/dbraw/zinc/05/52/49/359055249.db2.gz LRPDPFJRDQJBRW-CYBMUJFWSA-N 0 0 320.462 2.143 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000185968088 199910495 /nfs/dbraw/zinc/91/04/95/199910495.db2.gz PAABTIYWSLGLHZ-DZGCQCFKSA-N 0 0 309.431 2.491 10 30 DEEERN C=CCC1(C(=O)NC[C@H](CC(=O)OC)C2CC2)CCOCC1 ZINC000598273911 359144649 /nfs/dbraw/zinc/14/46/49/359144649.db2.gz HSNKRCVBAPYIBF-AWEZNQCLSA-N 0 0 309.406 2.065 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCc1ccc(C(=O)OC)cc1F ZINC000598347766 359172193 /nfs/dbraw/zinc/17/21/93/359172193.db2.gz YBIPFPDYKIKZNA-KRWDZBQOSA-N 0 0 323.364 2.457 10 30 DEEERN C=CCOCCCC(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000618940409 363645230 /nfs/dbraw/zinc/64/52/30/363645230.db2.gz SJHPSJXGMRUPIG-HOTGVXAUSA-N 0 0 305.422 2.230 10 30 DEEERN C=C[C@@](C)(O)C(=O)Nc1nc(C2CCCC2)c(C(=O)OC)s1 ZINC000598694662 359295005 /nfs/dbraw/zinc/29/50/05/359295005.db2.gz IUQNZNSGQMENKD-OAHLLOKOSA-N 0 0 324.402 2.463 10 30 DEEERN C=CCOCCCC(=O)N[C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000618940412 363645513 /nfs/dbraw/zinc/64/55/13/363645513.db2.gz SJHPSJXGMRUPIG-JKSUJKDBSA-N 0 0 305.422 2.230 10 30 DEEERN Cc1noc([C@H]2CN(c3cccc(F)c3C#N)C[C@@H](C)O2)n1 ZINC000599154381 359417712 /nfs/dbraw/zinc/41/77/12/359417712.db2.gz VMFMZRNJNWDEAU-YMTOWFKASA-N 0 0 302.309 2.355 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@@H](C)CCSC ZINC000599454461 359503127 /nfs/dbraw/zinc/50/31/27/359503127.db2.gz OATAHUXBHUHCLG-LBPRGKRZSA-N 0 0 300.468 2.305 10 30 DEEERN Cn1nccc1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000186624828 199983711 /nfs/dbraw/zinc/98/37/11/199983711.db2.gz BXBFSOBURDQXAG-UHFFFAOYSA-N 0 0 300.387 2.413 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000276343355 212816963 /nfs/dbraw/zinc/81/69/63/212816963.db2.gz YYAXCDYTYKLUMO-CYBMUJFWSA-N 0 0 319.327 2.284 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000599994798 359631413 /nfs/dbraw/zinc/63/14/13/359631413.db2.gz KTNVBNLXJCDAFX-UHFFFAOYSA-N 0 0 303.337 2.354 10 30 DEEERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)cc2)C12CCOCC2 ZINC000187059414 200054999 /nfs/dbraw/zinc/05/49/99/200054999.db2.gz HIEWMRICVDHAJN-HZPDHXFCSA-N 0 0 314.385 2.262 10 30 DEEERN C=CCc1cc(CN2CCO[C@]3(CCOC3)C2)cc(OC)c1O ZINC000187533790 200124994 /nfs/dbraw/zinc/12/49/94/200124994.db2.gz YCHCBQOPGGKUEE-GOSISDBHSA-N 0 0 319.401 2.121 10 30 DEEERN CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccc([C@H](C)CC)c1 ZINC000627626447 366572125 /nfs/dbraw/zinc/57/21/25/366572125.db2.gz CBLLGPLSWHPLEA-CZUORRHYSA-N 0 0 316.401 2.029 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc2c(c1)CCOC2 ZINC000627685766 366591429 /nfs/dbraw/zinc/59/14/29/366591429.db2.gz GGANANHRGMUKOH-UHFFFAOYSA-N 0 0 316.401 2.416 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cnc(CC(C)C)nc1 ZINC000627686643 366591623 /nfs/dbraw/zinc/59/16/23/366591623.db2.gz WTIHVVJZCODMNC-UHFFFAOYSA-N 0 0 318.421 2.332 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cnc(C)nc1C1CC1 ZINC000627686195 366591687 /nfs/dbraw/zinc/59/16/87/366591687.db2.gz XHKLQBHKNSYWAL-UHFFFAOYSA-N 0 0 316.405 2.319 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@H](CC(=O)OCC)CC(C)C)C1=O ZINC000601068858 359911199 /nfs/dbraw/zinc/91/11/99/359911199.db2.gz BKXXSQNHXMMWMT-UONOGXRCSA-N 0 0 324.421 2.489 10 30 DEEERN C=CCSCCNC(=O)Cc1ccc(-n2ccnc2)cc1 ZINC000601019414 359896002 /nfs/dbraw/zinc/89/60/02/359896002.db2.gz JHDAXNYPPLSYNH-UHFFFAOYSA-N 0 0 301.415 2.450 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)nn2C(C)(C)C)C1 ZINC000627735600 366604417 /nfs/dbraw/zinc/60/44/17/366604417.db2.gz WYYFQGIIUINTMO-CYBMUJFWSA-N 0 0 318.421 2.310 10 30 DEEERN C=CCC[C@H](C(=O)NC[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000188815741 200306949 /nfs/dbraw/zinc/30/69/49/200306949.db2.gz AZCWATBROSFEKZ-SJORKVTESA-N 0 0 302.418 2.183 10 30 DEEERN C=CCOc1ccc(C(=O)NCc2c(C)nnn2CC)cc1 ZINC000627874920 366646865 /nfs/dbraw/zinc/64/68/65/366646865.db2.gz KSMOVTGXRQZGOB-UHFFFAOYSA-N 0 0 300.362 2.101 10 30 DEEERN C=C(C)C[C@H](NS(=O)(=O)c1sccc1Cl)C(=O)OC ZINC000601501438 360055538 /nfs/dbraw/zinc/05/55/38/360055538.db2.gz NUWUWSQBIIKHEW-VIFPVBQESA-N 0 0 323.823 2.188 10 30 DEEERN C=CC(C)(C)CNC(=O)c1cc(C(=O)OC(C)(C)C)nn1C ZINC000601613006 360088253 /nfs/dbraw/zinc/08/82/53/360088253.db2.gz SWYFEVGVQBQMIZ-UHFFFAOYSA-N 0 0 307.394 2.317 10 30 DEEERN C=C(C)C[C@H](NC(=O)C[C@@H](C)n1nc(C)cc1C)C(=O)OC ZINC000601776476 360143824 /nfs/dbraw/zinc/14/38/24/360143824.db2.gz APXORUVDOJSOQT-KGLIPLIRSA-N 0 0 307.394 2.075 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(-c2ccco2)on1)C(=O)OC ZINC000601778687 360144447 /nfs/dbraw/zinc/14/44/47/360144447.db2.gz PERRZSYQLGTMEU-NSHDSACASA-N 0 0 304.302 2.172 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cc1nsc2ccccc12)C(=O)OC ZINC000601783333 360147746 /nfs/dbraw/zinc/14/77/46/360147746.db2.gz BHCZHMKJPQLWKQ-CYBMUJFWSA-N 0 0 318.398 2.463 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cn1ccc2ccccc21)C(=O)OC ZINC000601784438 360147925 /nfs/dbraw/zinc/14/79/25/360147925.db2.gz DBVOERWAKROXOA-CQSZACIVSA-N 0 0 300.358 2.265 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H]1C[C@]1(F)c1ccccc1)C(=O)OC ZINC000601785798 360148446 /nfs/dbraw/zinc/14/84/46/360148446.db2.gz VBIBFQNQGYZYQW-KEYYUXOJSA-N 0 0 305.349 2.495 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc2nc(C)ccc2o1)C(=O)OC ZINC000601786985 360149658 /nfs/dbraw/zinc/14/96/58/360149658.db2.gz VWABNONZNRXVPF-GFCCVEGCSA-N 0 0 302.330 2.374 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc2c(s1)CCOC2)C(=O)OC ZINC000601787434 360150422 /nfs/dbraw/zinc/15/04/22/360150422.db2.gz XLJLMCWSWFYFQY-LLVKDONJSA-N 0 0 309.387 2.058 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCCc1ccc(O)c(F)c1)C(=O)OC ZINC000601788081 360150537 /nfs/dbraw/zinc/15/05/37/360150537.db2.gz POQLSFQPPAWRJR-AWEZNQCLSA-N 0 0 323.364 2.478 10 30 DEEERN CCOC(=O)[C@H](C)N(C(=O)c1ccc(C#N)cc1C)C1CC1 ZINC000189389335 200391855 /nfs/dbraw/zinc/39/18/55/200391855.db2.gz IBCVEQZRGLYRDC-LBPRGKRZSA-N 0 0 300.358 2.423 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000601839824 360170847 /nfs/dbraw/zinc/17/08/47/360170847.db2.gz XQLFZJBLKJATJP-QXSJWSMHSA-N 0 0 315.369 2.493 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CC[S@@](=O)C[C@@H](C)C1 ZINC000602392858 360355846 /nfs/dbraw/zinc/35/58/46/360355846.db2.gz SHBJEAMNNIGZJO-RNODOKPDSA-N 0 0 300.468 2.389 10 30 DEEERN C=CCCC(C)(C)CNC(=O)Nc1c(C(=O)OC)cnn1C ZINC000603027405 360672436 /nfs/dbraw/zinc/67/24/36/360672436.db2.gz XKZFCVRZJRUPKF-UHFFFAOYSA-N 0 0 308.382 2.321 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000603119657 360708169 /nfs/dbraw/zinc/70/81/69/360708169.db2.gz XSTXNVBVOBCVSP-SOUVJXGZSA-N 0 0 318.373 2.022 10 30 DEEERN CSc1nc2n(n1)[C@@H](c1cc[nH]c1)C1C(=O)CCCC1=N2 ZINC000006259818 181323652 /nfs/dbraw/zinc/32/36/52/181323652.db2.gz LAPYBGDWVNSYMG-LBPRGKRZSA-N 0 0 301.375 2.350 10 30 DEEERN N#Cc1ccc(CNC(=O)CNC(=O)C2CCCCC2)c(F)c1 ZINC000609241074 361291556 /nfs/dbraw/zinc/29/15/56/361291556.db2.gz NBTYVXQJDCBTLT-UHFFFAOYSA-N 0 0 317.364 2.010 10 30 DEEERN N#Cc1ccc(NCCCN2CCCS2(=O)=O)cc1Cl ZINC000609508075 361317215 /nfs/dbraw/zinc/31/72/15/361317215.db2.gz VZKPOWGAYLSONM-UHFFFAOYSA-N 0 0 313.810 2.049 10 30 DEEERN CC(C)[C@H](NC(=O)c1ccnc(C#N)c1)C(=O)OC(C)(C)C ZINC000193529690 201068711 /nfs/dbraw/zinc/06/87/11/201068711.db2.gz PVQWMYXOQWQLPP-ZDUSSCGKSA-N 0 0 303.362 2.049 10 30 DEEERN CO[C@@]1(C)CCCN(C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000619362982 363773331 /nfs/dbraw/zinc/77/33/31/363773331.db2.gz QEQVMSQHIUZGTO-INIZCTEOSA-N 0 0 305.353 2.408 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000628318383 366807244 /nfs/dbraw/zinc/80/72/44/366807244.db2.gz BRTSQYMLZMOCSS-MELADBBJSA-N 0 0 320.433 2.269 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 ZINC000628318154 366807715 /nfs/dbraw/zinc/80/77/15/366807715.db2.gz QRCIFCDNNFFFMT-UHFFFAOYSA-N 0 0 324.446 2.283 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000628318381 366807925 /nfs/dbraw/zinc/80/79/25/366807925.db2.gz BRTSQYMLZMOCSS-IHRRRGAJSA-N 0 0 320.433 2.269 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NC[C@H](n1cccn1)C(F)(F)F ZINC000628333109 366816346 /nfs/dbraw/zinc/81/63/46/366816346.db2.gz NBLDEGRQHJVZRW-QWRGUYRKSA-N 0 0 305.300 2.084 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)c1ccncc1 ZINC000610538070 361417997 /nfs/dbraw/zinc/41/79/97/361417997.db2.gz YQUCLAINEAHLAP-CYBMUJFWSA-N 0 0 322.368 2.120 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)c1ccncc1 ZINC000610538071 361418491 /nfs/dbraw/zinc/41/84/91/361418491.db2.gz YQUCLAINEAHLAP-ZDUSSCGKSA-N 0 0 322.368 2.120 10 30 DEEERN C[C@@H](C[C@@H]1CCOC1)NC(=O)NCc1ccc(C#N)cc1F ZINC000610738097 361456280 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DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)Cc1cccc(F)c1 ZINC000620313151 364013926 /nfs/dbraw/zinc/01/39/26/364013926.db2.gz XYULTHGJRQVRGZ-IYBDPMFKSA-N 0 0 316.376 2.194 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000628488739 366865059 /nfs/dbraw/zinc/86/50/59/366865059.db2.gz HDYSFGJMARWJCU-CYBMUJFWSA-N 0 0 311.385 2.322 10 30 DEEERN C=CC[C@H]1CCN(C(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)C1 ZINC000628492554 366866960 /nfs/dbraw/zinc/86/69/60/366866960.db2.gz XIXFCAHQCSIUTB-GXTWGEPZSA-N 0 0 300.406 2.143 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(F)c(OC)cc1OC ZINC000622824210 364804948 /nfs/dbraw/zinc/80/49/48/364804948.db2.gz VJMJUIGWQGRZHF-CYBMUJFWSA-N 0 0 324.352 2.252 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(OC)ccc1OC ZINC000622763256 364791897 /nfs/dbraw/zinc/79/18/97/364791897.db2.gz URNJUVNAGYBQNB-AWEZNQCLSA-N 0 0 306.362 2.113 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1Cc2ccccc2OC[C@H]1C ZINC000622843696 364810734 /nfs/dbraw/zinc/81/07/34/364810734.db2.gz 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/nfs/dbraw/zinc/15/99/74/365159974.db2.gz UXBZNMMNXDDEJT-DOMZBBRYSA-N 0 0 323.824 2.419 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)C1 ZINC000623771897 365169349 /nfs/dbraw/zinc/16/93/49/365169349.db2.gz JBLWOHBWKGWDFB-BRWVUGGUSA-N 0 0 321.465 2.237 10 30 DEEERN O=C(Nc1ccc(F)cc1Cl)c1ccncc1C#CCO ZINC000091457990 193058319 /nfs/dbraw/zinc/05/83/19/193058319.db2.gz ZYJPYWNQWUAUAO-UHFFFAOYSA-N 0 0 304.708 2.470 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCc1ccc(NC(C)=O)nc1 ZINC000623960477 365236053 /nfs/dbraw/zinc/23/60/53/365236053.db2.gz YKEPYEUMUMWWFK-UHFFFAOYSA-N 0 0 304.394 2.442 10 30 DEEERN C=CCn1cc(CNC(=O)N2CCC[C@@H](C/C=C\C)C2)nn1 ZINC000624242530 365348323 /nfs/dbraw/zinc/34/83/23/365348323.db2.gz QAJQUDMOJPCPNG-PKXJPQMGSA-N 0 0 303.410 2.352 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2ccc(-c3nncnn3)cc2)C1 ZINC000624302555 365373127 /nfs/dbraw/zinc/37/31/27/365373127.db2.gz CJAACVSEUFOWCW-CQSZACIVSA-N 0 0 324.388 2.041 10 30 DEEERN C=CC(C)(C)CCNC(=O)N(CC)[C@@H](C)CS(=O)(=O)CC ZINC000624466107 365431525 /nfs/dbraw/zinc/43/15/25/365431525.db2.gz IKWDWRGOKIKBOH-ZDUSSCGKSA-N 0 0 318.483 2.443 10 30 DEEERN C=CCC[C@H](C(=O)NC[C@H](O)[C@@H]1CCCO1)c1ccccc1 ZINC000628594820 366892342 /nfs/dbraw/zinc/89/23/42/366892342.db2.gz VJNMSQBPYOTRGG-ULQDDVLXSA-N 0 0 303.402 2.393 10 30 DEEERN C=CCC[C@H](C(=O)NC[C@@H](O)[C@H]1CCCO1)c1ccccc1 ZINC000628594819 366892755 /nfs/dbraw/zinc/89/27/55/366892755.db2.gz VJNMSQBPYOTRGG-GVDBMIGSSA-N 0 0 303.402 2.393 10 30 DEEERN C=CCCOCC(=O)N[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000628774805 366965758 /nfs/dbraw/zinc/96/57/58/366965758.db2.gz WBKIPMAKTOCEEP-HNNXBMFYSA-N 0 0 303.337 2.347 10 30 DEEERN C=CCOc1ccccc1C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000629088121 367074472 /nfs/dbraw/zinc/07/44/72/367074472.db2.gz YKRCAMZBMHVRLL-KBXCAEBGSA-N 0 0 301.386 2.486 10 30 DEEERN CCOC(=O)C1(N(C)C(=O)c2ccc(C#N)n2C)CCCCC1 ZINC000450187100 241532683 /nfs/dbraw/zinc/53/26/83/241532683.db2.gz NLJNTUOSAQYXPB-UHFFFAOYSA-N 0 0 317.389 2.235 10 30 DEEERN C=CC(C)(C)CN1C(=O)N[C@@H](Cc2cccc(OC)c2)C1=O ZINC000629475621 367213020 /nfs/dbraw/zinc/21/30/20/367213020.db2.gz PWTMWRZUBYLKAM-AWEZNQCLSA-N 0 0 302.374 2.370 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H](C)S(C)(=O)=O ZINC000450298525 241657023 /nfs/dbraw/zinc/65/70/23/241657023.db2.gz NALYHMNMKTWYAB-LBPRGKRZSA-N 0 0 312.391 2.016 10 30 DEEERN C=CCOc1ccccc1C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000629928442 367381384 /nfs/dbraw/zinc/38/13/84/367381384.db2.gz BGTANMAEHKCVLH-HNNXBMFYSA-N 0 0 314.385 2.135 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)cc1 ZINC000629930039 367382458 /nfs/dbraw/zinc/38/24/58/367382458.db2.gz QNVWEWKVIWFIPT-MRXNPFEDSA-N 0 0 314.385 2.135 10 30 DEEERN C=CCCCCS(=O)(=O)Cc1c(Br)cnn1C ZINC000630452186 367657726 /nfs/dbraw/zinc/65/77/26/367657726.db2.gz WGAJNYHPCDTGTI-UHFFFAOYSA-N 0 0 321.240 2.454 10 30 DEEERN N#CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000092130995 193166109 /nfs/dbraw/zinc/16/61/09/193166109.db2.gz UTWZBTBXMOAXCB-UHFFFAOYSA-N 0 0 300.383 2.274 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2cccc(NC(=O)CC)c2)C1=O ZINC000630967997 367941463 /nfs/dbraw/zinc/94/14/63/367941463.db2.gz RGPZTBVKDVDASC-AWEZNQCLSA-N 0 0 315.373 2.422 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H](C)N(C)c2ccccc2)C1=O ZINC000630972729 367943756 /nfs/dbraw/zinc/94/37/56/367943756.db2.gz ZPFJXSQNPNZBJY-ZFWWWQNUSA-N 0 0 301.390 2.398 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H]2CCOc3ccccc32)C1=O ZINC000630972707 367943961 /nfs/dbraw/zinc/94/39/61/367943961.db2.gz NFGMBJSGZSTBPQ-OCCSQVGLSA-N 0 0 300.358 2.439 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H](COC)Cc2ccccc2)C1=O ZINC000630975352 367946485 /nfs/dbraw/zinc/94/64/85/367946485.db2.gz KWKHERZRJKWJHE-LSDHHAIUSA-N 0 0 302.374 2.131 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2cc(COC(C)(C)C)on2)C1=O ZINC000630977287 367947956 /nfs/dbraw/zinc/94/79/56/367947956.db2.gz UONLJDZHDAWGKX-ZDUSSCGKSA-N 0 0 321.377 2.376 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccnc(OC(F)F)c2)C1=O ZINC000630982511 367949379 /nfs/dbraw/zinc/94/93/79/367949379.db2.gz NPJCKAZVLIZKAB-JTQLQIEISA-N 0 0 311.288 2.070 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@H](c2ccnn2C)C(C)C)C1=O ZINC000630983943 367949492 /nfs/dbraw/zinc/94/94/92/367949492.db2.gz XUSOMBKUNZMPRC-QWHCGFSZSA-N 0 0 304.394 2.046 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H]2COc3c(C)cccc3C2)C1=O ZINC000630982695 367949529 /nfs/dbraw/zinc/94/95/29/367949529.db2.gz OLNHWQCPKRZILX-ZIAGYGMSSA-N 0 0 300.358 2.185 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2CCN(c3ccccc3F)C2)C1=O ZINC000630985568 367950672 /nfs/dbraw/zinc/95/06/72/367950672.db2.gz XEOIVQNZIFPIAH-TZMCWYRMSA-N 0 0 317.364 2.291 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H](c2ccc(OC)nc2)C2CC2)C1=O ZINC000630986809 367952125 /nfs/dbraw/zinc/95/21/25/367952125.db2.gz SWNOTXPQKKFANG-UKRRQHHQSA-N 0 0 315.373 2.428 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H](c2ccc(OC)nc2)C2CC2)C1=O ZINC000630986807 367952333 /nfs/dbraw/zinc/95/23/33/367952333.db2.gz SWNOTXPQKKFANG-DZGCQCFKSA-N 0 0 315.373 2.428 10 30 DEEERN C=C1CC(C)(C(=O)NCc2ccccc2CS(C)(=O)=O)C1 ZINC000631632605 368319857 /nfs/dbraw/zinc/31/98/57/368319857.db2.gz QSRTZQBKQZMPBP-UHFFFAOYSA-N 0 0 307.415 2.204 10 30 DEEERN C=C1CC(C)(C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)C1 ZINC000631582037 368297984 /nfs/dbraw/zinc/29/79/84/368297984.db2.gz JUBQBSGAXRLXOD-UHFFFAOYSA-N 0 0 301.390 2.482 10 30 DEEERN C=C1CC(C)(C(=O)NC2CCN(c3cc(CC)ncn3)CC2)C1 ZINC000631614739 368311099 /nfs/dbraw/zinc/31/10/99/368311099.db2.gz DQXCRAIKFSYDGS-UHFFFAOYSA-N 0 0 314.433 2.480 10 30 DEEERN CC[C@@H](C#N)N1CCN(c2nc(Br)cs2)CC1 ZINC000093011209 193193821 /nfs/dbraw/zinc/19/38/21/193193821.db2.gz YAQXXZNTUZKPDM-VIFPVBQESA-N 0 0 315.240 2.330 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC[C@@H](C)CCO ZINC000452248162 244073257 /nfs/dbraw/zinc/07/32/57/244073257.db2.gz ORUHGEHXVNNBRG-PBHICJAKSA-N 0 0 318.417 2.486 10 30 DEEERN Cc1cc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)ccn1 ZINC000452411050 244265391 /nfs/dbraw/zinc/26/53/91/244265391.db2.gz UBYQUDZVKJBUNF-QGZVFWFLSA-N 0 0 317.389 2.268 10 30 DEEERN C=C(C)CCNC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000452727472 244558176 /nfs/dbraw/zinc/55/81/76/244558176.db2.gz YLCAHFIKWRHXNI-NSHDSACASA-N 0 0 308.328 2.400 10 30 DEEERN Cn1ncc(C#N)c1NC(=O)c1ccc(Br)c(F)c1 ZINC000093334935 193232930 /nfs/dbraw/zinc/23/29/30/193232930.db2.gz PPJWWEKIXWBERW-UHFFFAOYSA-N 0 0 323.125 2.446 10 30 DEEERN CCN[C@]1(C#N)CCC[C@@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093747556 193300810 /nfs/dbraw/zinc/30/08/10/193300810.db2.gz LYRSDZDIGLZQCW-BXUZGUMPSA-N 0 0 309.439 2.059 10 30 DEEERN Cc1cc(Br)cc([N+](=O)[O-])c1OCC[C@H](N)C#N ZINC000094296757 193356765 /nfs/dbraw/zinc/35/67/65/193356765.db2.gz HLAREMPYBZGUHH-VIFPVBQESA-N 0 0 314.139 2.286 10 30 DEEERN CCN(C[C@@H](C)C#N)c1nc(C(F)(F)F)ccc1C(N)=O ZINC000094334731 193359999 /nfs/dbraw/zinc/35/99/99/193359999.db2.gz CXURPJGKPZMYAI-QMMMGPOBSA-N 0 0 300.284 2.185 10 30 DEEERN Cc1cc(Cl)c(S(=O)(=O)N(C)C[C@H](C)C#N)cc1N ZINC000094638105 193387140 /nfs/dbraw/zinc/38/71/40/193387140.db2.gz GLTCBPALSGSSBR-MRVPVSSYSA-N 0 0 301.799 2.011 10 30 DEEERN Cc1cc(C(=O)N2CCCO[C@H](C)C2)sc1C#CCCO ZINC000094535275 193377331 /nfs/dbraw/zinc/37/73/31/193377331.db2.gz NPVXSNPSIKQJPU-CYBMUJFWSA-N 0 0 307.415 2.041 10 30 DEEERN COc1ccccc1C#CCNS(=O)(=O)C1CCCCC1 ZINC000096351891 193615695 /nfs/dbraw/zinc/61/56/95/193615695.db2.gz HVZZCYQVVBLQSS-UHFFFAOYSA-N 0 0 307.415 2.299 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCOC1(C)C ZINC000453819479 245307921 /nfs/dbraw/zinc/30/79/21/245307921.db2.gz FNKICIOKCBMBLG-HNNXBMFYSA-N 0 0 316.401 2.427 10 30 DEEERN C=C(C)CCNC(=O)C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000453868507 245331526 /nfs/dbraw/zinc/33/15/26/245331526.db2.gz AWLUBEJZJJWULV-UHFFFAOYSA-N 0 0 318.421 2.489 10 30 DEEERN C#CCSCCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271699574 209136406 /nfs/dbraw/zinc/13/64/06/209136406.db2.gz NITPLRMUXBUKGO-NSHDSACASA-N 0 0 307.375 2.321 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)OC)c1ccc(OC)c(O)c1 ZINC000274704048 211851020 /nfs/dbraw/zinc/85/10/20/211851020.db2.gz OOSUMCIPKXVPIJ-ABAIWWIYSA-N 0 0 321.373 2.333 10 30 DEEERN COc1ccc(/C=N/N=C2/C(=O)Nc3ccccc32)cc1[N+](=O)[O-] ZINC000016227649 182037832 /nfs/dbraw/zinc/03/78/32/182037832.db2.gz NAUIXQKUNICZKH-RQZCQDPDSA-N 0 0 324.296 2.379 10 30 DEEERN C=C(Br)CNS(=O)(=O)c1ccc(F)cc1C ZINC000161385764 197490261 /nfs/dbraw/zinc/49/02/61/197490261.db2.gz YBSFYRXYCOBEPQ-UHFFFAOYSA-N 0 0 308.172 2.321 10 30 DEEERN Cc1cc(C#N)cc(C)c1Oc1ncccc1S(N)(=O)=O ZINC000160194187 197392093 /nfs/dbraw/zinc/39/20/93/197392093.db2.gz ADGHIRWUJZEQMO-UHFFFAOYSA-N 0 0 303.343 2.010 10 30 DEEERN C=CCn1c(SCc2nnc(C)o2)nnc1C(F)(F)F ZINC000020840172 182248814 /nfs/dbraw/zinc/24/88/14/182248814.db2.gz WYHZUPCMTKTLOI-UHFFFAOYSA-N 0 0 305.285 2.467 10 30 DEEERN C=C(C)CCNC(=O)NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000454660050 246044055 /nfs/dbraw/zinc/04/40/55/246044055.db2.gz MJPAHEMVDUCKQJ-UHFFFAOYSA-N 0 0 315.377 2.041 10 30 DEEERN Cc1cc(C[C@@H](C)NC(=O)NCc2ccc(C#N)c(F)c2)[nH]n1 ZINC000454708816 246084858 /nfs/dbraw/zinc/08/48/58/246084858.db2.gz MVPPMFAZBLNIIO-SNVBAGLBSA-N 0 0 315.352 2.159 10 30 DEEERN C=CC[C@@H](CC)NC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000454910892 246243705 /nfs/dbraw/zinc/24/37/05/246243705.db2.gz LQZLNLGLFQXFMR-CHWSQXEVSA-N 0 0 322.430 2.211 10 30 DEEERN C=C(Cl)CN1C(=O)N[C@@]2(CCc3ccc(OC)cc32)C1=O ZINC000135393974 335032980 /nfs/dbraw/zinc/03/29/80/335032980.db2.gz AHYBWARUOKJSFH-OAHLLOKOSA-N 0 0 306.749 2.141 10 30 DEEERN C#Cc1cccc(N(CC)S(=O)(=O)c2ccnn2CC)c1 ZINC000274424888 211601773 /nfs/dbraw/zinc/60/17/73/211601773.db2.gz LHDAXNPMJNMFHF-UHFFFAOYSA-N 0 0 303.387 2.100 10 30 DEEERN N#CC1CCC(CNC(=O)N[C@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC000458749383 248467114 /nfs/dbraw/zinc/46/71/14/248467114.db2.gz ZUIDVTXHNIZGKX-SMELUJQZSA-N 0 0 319.449 2.413 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000459036875 248569872 /nfs/dbraw/zinc/56/98/72/248569872.db2.gz DQJLHBKLHJZCDY-MCIONIFRSA-N 0 0 324.421 2.093 10 30 DEEERN C=CCCS(=O)(=O)NC(C)(C)c1cc(C(F)(F)F)on1 ZINC000490474810 248870531 /nfs/dbraw/zinc/87/05/31/248870531.db2.gz DXIDDRAHAIHNSB-UHFFFAOYSA-N 0 0 312.313 2.424 10 30 DEEERN C#CCn1c(CN(C)C(=O)c2ccccn2)nc2ccccc21 ZINC000040185238 183045041 /nfs/dbraw/zinc/04/50/41/183045041.db2.gz WSHWKGKKZYMRGJ-UHFFFAOYSA-N 0 0 304.353 2.337 10 30 DEEERN N#Cc1cc(C(F)(F)F)ccc1Sc1nc(N)cc(=O)[nH]1 ZINC000041027185 183157357 /nfs/dbraw/zinc/15/73/57/183157357.db2.gz QNHZDTUWPWJBBZ-UHFFFAOYSA-N 0 0 312.276 2.394 10 30 DEEERN Cc1ccc([C@@H](C#N)N2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC000041258741 183182115 /nfs/dbraw/zinc/18/21/15/183182115.db2.gz AMTXLDNUYCFJNP-GOSISDBHSA-N 0 0 320.396 2.413 10 30 DEEERN CN(Cc1cc(C#CCCO)cs1)C(=O)c1ccncc1 ZINC000042401207 183264137 /nfs/dbraw/zinc/26/41/37/183264137.db2.gz NJDPYQCXNUMOOF-UHFFFAOYSA-N 0 0 300.383 2.149 10 30 DEEERN Cc1nn(-c2cccc(C#N)c2)c(N)c1I ZINC000043665048 183377845 /nfs/dbraw/zinc/37/78/45/183377845.db2.gz JZMRRBMRDMBYSF-UHFFFAOYSA-N 0 0 324.125 2.239 10 30 DEEERN Cc1ccc(C#N)c(N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)n1 ZINC000284492850 218050927 /nfs/dbraw/zinc/05/09/27/218050927.db2.gz JUBYKGKWEAWWCH-CQSZACIVSA-N 0 0 324.388 2.015 10 30 DEEERN N#CCSCCCN1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159460512 197355391 /nfs/dbraw/zinc/35/53/91/197355391.db2.gz FPLXSTMYSCBGTH-KBPBESRZSA-N 0 0 310.419 2.051 10 30 DEEERN C[C@H]1OCC[C@H]1N(C)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000159414778 197351857 /nfs/dbraw/zinc/35/18/57/197351857.db2.gz VYHGVLJGGWPFAV-BXKDBHETSA-N 0 0 314.794 2.010 10 30 DEEERN N#Cc1cccc(C(=O)NCC[C@@H]2Oc3ccccc3NC2=O)c1 ZINC000049739750 183756905 /nfs/dbraw/zinc/75/69/05/183756905.db2.gz MRVPMNQOKZZEBP-INIZCTEOSA-N 0 0 321.336 2.078 10 30 DEEERN C[C@H](C#N)N1CCN(Cc2cccc(Br)c2)CC1 ZINC000109452909 194265086 /nfs/dbraw/zinc/26/50/86/194265086.db2.gz ADTALGWMATVHHR-GFCCVEGCSA-N 0 0 308.223 2.479 10 30 DEEERN C=CCCS(=O)(=O)N[C@@H](CC(=O)OCC)c1ccccc1 ZINC000268912972 207081109 /nfs/dbraw/zinc/08/11/09/207081109.db2.gz ZFBLZJAVZQNWDA-AWEZNQCLSA-N 0 0 311.403 2.176 10 30 DEEERN C=C(CC(C(=O)OCC)C(=O)OCC)P(=O)(OC)OC ZINC000059367422 184137237 /nfs/dbraw/zinc/13/72/37/184137237.db2.gz UFTXUSSLFBYEET-UHFFFAOYSA-N 0 0 308.267 2.119 10 30 DEEERN N#Cc1cc2c(N)c(C(=O)NC3CCCCC3)sc2nc1N ZINC000059371205 184137835 /nfs/dbraw/zinc/13/78/35/184137835.db2.gz ZCFJPZCSSBMHCR-UHFFFAOYSA-N 0 0 315.402 2.395 10 30 DEEERN Cc1ccc(CNC(=O)c2ccc(C#CCCO)cn2)s1 ZINC000061863156 184190633 /nfs/dbraw/zinc/19/06/33/184190633.db2.gz MUEHGIFBEMOGCR-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN CN(c1cccc(C#N)c1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000063346626 184280612 /nfs/dbraw/zinc/28/06/12/184280612.db2.gz COGKGNALNHSYSP-UHFFFAOYSA-N 0 0 323.355 2.353 10 30 DEEERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@@H](C)O1 ZINC000048659672 207353330 /nfs/dbraw/zinc/35/33/30/207353330.db2.gz ISFARPFONRVQLG-NXEZZACHSA-N 0 0 314.794 2.010 10 30 DEEERN CCCn1c(S[C@@H](C)C[C@](C)(C#N)NC(C)C)n[nH]c1=O ZINC000068626954 184494272 /nfs/dbraw/zinc/49/42/72/184494272.db2.gz RPUSDNABICFAAA-SMDDNHRTSA-N 0 0 311.455 2.132 10 30 DEEERN C=CC[C@H](C)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000116905053 194783654 /nfs/dbraw/zinc/78/36/54/194783654.db2.gz PKKBKSYGSQDAMG-VIFPVBQESA-N 0 0 317.794 2.354 10 30 DEEERN C#CCOc1ccc(CN2Cc3ccccc3C[C@H]2C(N)=O)cc1 ZINC000119817287 195042666 /nfs/dbraw/zinc/04/26/66/195042666.db2.gz DCQLOVPWNLLTRI-IBGZPJMESA-N 0 0 320.392 2.111 10 30 DEEERN COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(C#N)cn1 ZINC000120024625 195082141 /nfs/dbraw/zinc/08/21/41/195082141.db2.gz DTUZIBPFLAJTSG-ZDUSSCGKSA-N 0 0 323.352 2.157 10 30 DEEERN CCSC[C@H](C)NS(=O)(=O)c1cccc(F)c1C#N ZINC000158956920 197314182 /nfs/dbraw/zinc/31/41/82/197314182.db2.gz SSKQJGVEFJBNDE-VIFPVBQESA-N 0 0 302.396 2.117 10 30 DEEERN CCS(=O)(=O)CCNc1ccc(C(F)(F)F)cc1C#N ZINC000158352158 197265424 /nfs/dbraw/zinc/26/54/24/197265424.db2.gz KSTJLTYHITVJDO-UHFFFAOYSA-N 0 0 306.309 2.424 10 30 DEEERN C#CCn1ncc(N[C@H]2CC=CCC2)c(Br)c1=O ZINC000157938751 197228888 /nfs/dbraw/zinc/22/88/88/197228888.db2.gz VYIIMBZDTQZYMW-JTQLQIEISA-N 0 0 308.179 2.160 10 30 DEEERN Cn1cc(NC(=O)Cc2cccc(C#N)c2)c(C(F)(F)F)n1 ZINC000541647781 285178529 /nfs/dbraw/zinc/17/85/29/285178529.db2.gz XJVQKSWSPPDNIV-UHFFFAOYSA-N 0 0 308.263 2.492 10 30 DEEERN CCCC(=O)N[C@H]1CCCN(C(=O)c2sccc2C#N)C1 ZINC000157040185 197157286 /nfs/dbraw/zinc/15/72/86/197157286.db2.gz RDEZTRONEZEMMW-LBPRGKRZSA-N 0 0 305.403 2.141 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1cncc(Br)c1 ZINC000156031546 197082105 /nfs/dbraw/zinc/08/21/05/197082105.db2.gz KGIDWIGWRNKSDQ-UHFFFAOYSA-N 0 0 305.135 2.307 10 30 DEEERN COCCOc1cccc(CC(=O)NC2(C#N)CCCC2)c1 ZINC000155242091 197035807 /nfs/dbraw/zinc/03/58/07/197035807.db2.gz IYUHFMBSRCWUNF-UHFFFAOYSA-N 0 0 302.374 2.207 10 30 DEEERN C=C[C@H](CC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C)c1ccccc1 ZINC000155227375 197034992 /nfs/dbraw/zinc/03/49/92/197034992.db2.gz ZRQDQKSNAJSUAG-FMKPAKJESA-N 0 0 300.402 2.459 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000153636079 196894823 /nfs/dbraw/zinc/89/48/23/196894823.db2.gz BKLYVQYUHRMFBL-OCCSQVGLSA-N 0 0 302.374 2.399 10 30 DEEERN N#Cc1ccc(N2C[C@@H]3CN(c4ccccc4)C(=O)[C@@H]3C2)nc1 ZINC000247635253 257117880 /nfs/dbraw/zinc/11/78/80/257117880.db2.gz DBUZDQHXWRHXIN-GDBMZVCRSA-N 0 0 304.353 2.052 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000122067726 195397434 /nfs/dbraw/zinc/39/74/34/195397434.db2.gz LRMRMSDJYDXYAH-KRWDZBQOSA-N 0 0 319.364 2.402 10 30 DEEERN C#CC[C@H](NN)c1ncc(Br)cc1Br ZINC000122181579 195414562 /nfs/dbraw/zinc/41/45/62/195414562.db2.gz QMGVBOXMLFUEOI-QMMMGPOBSA-N 0 0 319.000 2.134 10 30 DEEERN CCn1cc(C2CCN(C(=O)c3ccc(C#N)cn3)CC2)cn1 ZINC000123538998 195593918 /nfs/dbraw/zinc/59/39/18/195593918.db2.gz KETPHCLOWIZDEO-UHFFFAOYSA-N 0 0 309.373 2.189 10 30 DEEERN N#Cc1ccc(Br)cc1N1CCCC[C@H]1C(N)=O ZINC000123186774 195553188 /nfs/dbraw/zinc/55/31/88/195553188.db2.gz CUFUCTLTLZIXTR-NSHDSACASA-N 0 0 308.179 2.165 10 30 DEEERN CC[C@@H]1CN(C(=O)c2sccc2C#N)CCN1CC(F)F ZINC000125061789 195708348 /nfs/dbraw/zinc/70/83/48/195708348.db2.gz FMXGUNGZXRNXCV-LLVKDONJSA-N 0 0 313.373 2.421 10 30 DEEERN N#Cc1ccc(Cl)c(NCc2ccc(S(N)(=O)=O)o2)c1 ZINC000127758372 195907495 /nfs/dbraw/zinc/90/74/95/195907495.db2.gz BMTKBVRYNBENRF-UHFFFAOYSA-N 0 0 311.750 2.064 10 30 DEEERN CO[C@@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC[C@H]1C ZINC000251995623 533471309 /nfs/dbraw/zinc/47/13/09/533471309.db2.gz WFZOTZIRZCNYRU-NVXWUHKLSA-N 0 0 315.417 2.290 10 30 DEEERN COc1cccc(F)c1[C@H](C)NS(=O)(=O)CCCC#N ZINC000173596284 533572961 /nfs/dbraw/zinc/57/29/61/533572961.db2.gz RIWHAZNQFUYKGD-JTQLQIEISA-N 0 0 300.355 2.118 10 30 DEEERN C[S@](=O)c1cccc(NC(=O)N2CC3(C2)CCCOC3)c1 ZINC000329507487 533587043 /nfs/dbraw/zinc/58/70/43/533587043.db2.gz HTMGDTWMJHVFGM-NRFANRHFSA-N 0 0 308.403 2.082 10 30 DEEERN C[C@H](CC#N)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000373256749 533612275 /nfs/dbraw/zinc/61/22/75/533612275.db2.gz RNTFVXRDOOOIDJ-KBXIAJHMSA-N 0 0 313.405 2.032 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCOc2ncccc21 ZINC000177218418 132525831 /nfs/dbraw/zinc/52/58/31/132525831.db2.gz XOUJKSVICDQSGV-GFCCVEGCSA-N 0 0 309.325 2.146 10 30 DEEERN C[C@H](C(=O)Nc1cccnc1-c1ccccc1)n1cnc(C#N)n1 ZINC000360246356 133171370 /nfs/dbraw/zinc/17/13/70/133171370.db2.gz UPYDLFWWEFKHHH-GFCCVEGCSA-N 0 0 318.340 2.411 10 30 DEEERN N#Cc1ccsc1C(=O)Nc1ccc(C2=NNC(=O)CC2)cc1 ZINC000362316445 133223658 /nfs/dbraw/zinc/22/36/58/133223658.db2.gz CYGQJUUSYUWLCL-UHFFFAOYSA-N 0 0 324.365 2.486 10 30 DEEERN CCC[C@H](C)NC(=O)[C@H]1CCCN(c2ccncc2C#N)C1 ZINC000547825114 285645757 /nfs/dbraw/zinc/64/57/57/285645757.db2.gz AGYCUDRDSMBEPC-KBPBESRZSA-N 0 0 300.406 2.474 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1CCO[C@@H](COC(C)C)C1 ZINC000563926807 292080035 /nfs/dbraw/zinc/08/00/35/292080035.db2.gz UAKKZKXZZCGICE-OAHLLOKOSA-N 0 0 302.374 2.391 10 30 DEEERN Cc1nc(CC(=O)NCCOc2ccc(C#N)cc2)c(C)s1 ZINC000122943472 144696081 /nfs/dbraw/zinc/69/60/81/144696081.db2.gz KPJOFZHESWHMPX-UHFFFAOYSA-N 0 0 315.398 2.369 10 30 DEEERN N#Cc1nccn1CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000123940939 144704950 /nfs/dbraw/zinc/70/49/50/144704950.db2.gz BAJDLUYXSFLFEI-HNNXBMFYSA-N 0 0 323.381 2.117 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000170680789 144805854 /nfs/dbraw/zinc/80/58/54/144805854.db2.gz YTFPWYFQSFMQIK-HIFRSBDPSA-N 0 0 324.384 2.455 10 30 DEEERN CN(C)c1cccc(C(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000173891745 144852246 /nfs/dbraw/zinc/85/22/46/144852246.db2.gz LKAJJVJNWMTZTE-UHFFFAOYSA-N 0 0 309.369 2.433 10 30 DEEERN CCCSCC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183670440 144932957 /nfs/dbraw/zinc/93/29/57/144932957.db2.gz FJUUBVFDADRKBN-UHFFFAOYSA-N 0 0 301.375 2.221 10 30 DEEERN CO[C@H]1CN(C(=O)NCc2cc(C#N)ccc2F)CC[C@H]1C ZINC000187582983 145000701 /nfs/dbraw/zinc/00/07/01/145000701.db2.gz GHEXJLSUPGOVBG-ABAIWWIYSA-N 0 0 305.353 2.264 10 30 DEEERN CO[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC[C@H]1C ZINC000187777554 145003187 /nfs/dbraw/zinc/00/31/87/145003187.db2.gz FHKGWQVYCXVYNN-XJKCOSOUSA-N 0 0 302.374 2.209 10 30 DEEERN N#Cc1c(F)cccc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000189214674 145023918 /nfs/dbraw/zinc/02/39/18/145023918.db2.gz LVMPXMOODBNIOG-SJKOYZFVSA-N 0 0 302.349 2.465 10 30 DEEERN CCOC[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)C(C)C ZINC000190877656 145049466 /nfs/dbraw/zinc/04/94/66/145049466.db2.gz JXHFGLSHFVMTHJ-MRXNPFEDSA-N 0 0 319.405 2.297 10 30 DEEERN N#Cc1cc(C(=O)NCCc2cnn(-c3ccccc3)c2)ccn1 ZINC000192469793 145073847 /nfs/dbraw/zinc/07/38/47/145073847.db2.gz ZRYGKAPDXUJANW-UHFFFAOYSA-N 0 0 317.352 2.111 10 30 DEEERN N#Cc1cc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)ccn1 ZINC000192500071 145074659 /nfs/dbraw/zinc/07/46/59/145074659.db2.gz OCCQRTQRJFTZEF-UHFFFAOYSA-N 0 0 306.325 2.098 10 30 DEEERN C[S@](=O)c1ccc(NC(=O)c2ccnc(C#N)c2)cc1F ZINC000192979193 145081037 /nfs/dbraw/zinc/08/10/37/145081037.db2.gz MZAMZBVMGMBKHY-NRFANRHFSA-N 0 0 303.318 2.082 10 30 DEEERN C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1nnc2n1CCCC2 ZINC000193625776 145087857 /nfs/dbraw/zinc/08/78/57/145087857.db2.gz HYLYRVLCNZHNPY-LLVKDONJSA-N 0 0 310.361 2.369 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(OC)c(C#N)c1 ZINC000248822017 145168783 /nfs/dbraw/zinc/16/87/83/145168783.db2.gz JLQSNXAFPICTGY-QRTARXTBSA-N 0 0 314.385 2.340 10 30 DEEERN N#Cc1ccc(F)c(CNC(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)c1 ZINC000251800470 145196150 /nfs/dbraw/zinc/19/61/50/145196150.db2.gz MFOCYBQEELZCSM-NWANDNLSSA-N 0 0 303.337 2.064 10 30 DEEERN CC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)nc2)c2ccccc21 ZINC000366900834 147687191 /nfs/dbraw/zinc/68/71/91/147687191.db2.gz FVQQNYZDCYMWRW-MRXNPFEDSA-N 0 0 320.352 2.181 10 30 DEEERN N#Cc1cc(N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)nc2ccccc12 ZINC000408172711 148571843 /nfs/dbraw/zinc/57/18/43/148571843.db2.gz ZRYNFBSJFYCKQH-NXHRZFHOSA-N 0 0 323.396 2.473 10 30 DEEERN CC1(C)CC(=O)C2=C(C1)OC(N)=C([N+](=O)[O-])[C@H]2c1ccco1 ZINC000003037783 401720888 /nfs/dbraw/zinc/72/08/88/401720888.db2.gz HBZDYSCPOVFIKC-LBPRGKRZSA-N 0 0 304.302 2.441 10 30 DEEERN O=C(CO/N=C/c1cccc([N+](=O)[O-])c1)NC1CCCCC1 ZINC000003254561 401723655 /nfs/dbraw/zinc/72/36/55/401723655.db2.gz ZOJLPCMKJPNPRE-MHWRWJLKSA-N 0 0 305.334 2.394 10 30 DEEERN C=CCCOCCNC(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000127261008 401726402 /nfs/dbraw/zinc/72/64/02/401726402.db2.gz OIXUTKPHCWRSGI-INIZCTEOSA-N 0 0 320.389 2.068 10 30 DEEERN N#CCCCCS(=O)(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000127526054 401738969 /nfs/dbraw/zinc/73/89/69/401738969.db2.gz ZZEIVFNLDRUMIQ-CYBMUJFWSA-N 0 0 314.432 2.145 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2c(O)cccc2F)cc1 ZINC000126407365 401692726 /nfs/dbraw/zinc/69/27/26/401692726.db2.gz IRMDIJNJKPFLST-UHFFFAOYSA-N 0 0 300.289 2.212 10 30 DEEERN N#CCSCCCN1CCC[C@H]1C(=O)Nc1nccs1 ZINC000072518174 401710505 /nfs/dbraw/zinc/71/05/05/401710505.db2.gz RVFOVFXPEASNDX-NSHDSACASA-N 0 0 310.448 2.193 10 30 DEEERN C=CC1CCN(C(=O)CNC(=O)c2ccc(C)c(C)c2)CC1 ZINC000111631920 401718807 /nfs/dbraw/zinc/71/88/07/401718807.db2.gz YHKPEODKSAZAKL-UHFFFAOYSA-N 0 0 300.402 2.458 10 30 DEEERN Cc1cc([C@@H]2CN(C(=O)CSCC#N)CCO2)ccc1F ZINC000129169443 401800372 /nfs/dbraw/zinc/80/03/72/401800372.db2.gz NWSNDAJLDWWMJU-AWEZNQCLSA-N 0 0 308.378 2.291 10 30 DEEERN C=CCCCN(C)C(=O)Nc1cccc(-n2nnnc2C)c1 ZINC000077266848 401808010 /nfs/dbraw/zinc/80/80/10/401808010.db2.gz HDTWVFJVBGQGCI-UHFFFAOYSA-N 0 0 300.366 2.401 10 30 DEEERN C=CCCCN(C)C(=O)Nc1cc(C(=O)NC)ccc1OC ZINC000077272025 401808450 /nfs/dbraw/zinc/80/84/50/401808450.db2.gz QYEJAEGLFZCLDI-UHFFFAOYSA-N 0 0 305.378 2.485 10 30 DEEERN Cc1nc(CN2CCCN(Cc3ccc(C#N)s3)CC2)no1 ZINC000127932060 401756071 /nfs/dbraw/zinc/75/60/71/401756071.db2.gz NHVUMSUMXBZXNF-UHFFFAOYSA-N 0 0 317.418 2.019 10 30 DEEERN N#Cc1cccc(NC(=O)CN2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000127952041 401757015 /nfs/dbraw/zinc/75/70/15/401757015.db2.gz NIQYXANCPDYWRN-QAPCUYQASA-N 0 0 313.401 2.124 10 30 DEEERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)C1(C#N)CCC1 ZINC000112879859 401760779 /nfs/dbraw/zinc/76/07/79/401760779.db2.gz SUZNGCMSXJCIBX-LBPRGKRZSA-N 0 0 300.362 2.101 10 30 DEEERN C=CCNC(=O)[C@H](C)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000128644517 401786662 /nfs/dbraw/zinc/78/66/62/401786662.db2.gz XULWXVYEGZMVOA-XJKSGUPXSA-N 0 0 306.381 2.198 10 30 DEEERN C[C@@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@H](C)S1 ZINC000128680800 401787603 /nfs/dbraw/zinc/78/76/03/401787603.db2.gz FQSVBUPRJDEZGX-BETUJISGSA-N 0 0 324.471 2.158 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)CCCC=C ZINC000076312345 401790428 /nfs/dbraw/zinc/79/04/28/401790428.db2.gz LEBHWJUGVSEIKR-UHFFFAOYSA-N 0 0 318.348 2.201 10 30 DEEERN C=CCCCN(C)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000076492410 401796323 /nfs/dbraw/zinc/79/63/23/401796323.db2.gz ZQDKIEPHVRTAHT-UHFFFAOYSA-N 0 0 301.390 2.221 10 30 DEEERN CC(C)c1cc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)[nH]n1 ZINC000130546866 401835110 /nfs/dbraw/zinc/83/51/10/401835110.db2.gz GNBVIPLVQXKORW-UHFFFAOYSA-N 0 0 310.357 2.308 10 30 DEEERN N#Cc1ccc(CN2CCN(Cc3cccc(F)c3)C(=O)C2)o1 ZINC000130825202 401839607 /nfs/dbraw/zinc/83/96/07/401839607.db2.gz BURLBJRTGCOSLT-UHFFFAOYSA-N 0 0 313.332 2.135 10 30 DEEERN C=CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000135047511 401924884 /nfs/dbraw/zinc/92/48/84/401924884.db2.gz KGHMVFAEKDPIOU-SGIREYDYSA-N 0 0 304.365 2.426 10 30 DEEERN CCCC(=O)N[C@H]1CCCN(C(=O)c2ccc(C#N)cc2C)C1 ZINC000119102497 401926278 /nfs/dbraw/zinc/92/62/78/401926278.db2.gz HDIDGYUAIBMYMD-HNNXBMFYSA-N 0 0 313.401 2.388 10 30 DEEERN CC(=O)N(C)c1ccccc1NCC(=O)N[C@](C)(C#N)C(C)C ZINC000118389274 401896871 /nfs/dbraw/zinc/89/68/71/401896871.db2.gz OZDIOAHHZKTOGP-QGZVFWFLSA-N 0 0 316.405 2.136 10 30 DEEERN N#CCOc1cccc(NS(=O)(=O)N2CCCCCC2)c1 ZINC000036682847 401906617 /nfs/dbraw/zinc/90/66/17/401906617.db2.gz MFNLSJIQJYGBIY-UHFFFAOYSA-N 0 0 309.391 2.122 10 30 DEEERN CCC[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CCO1 ZINC000120156478 401980235 /nfs/dbraw/zinc/98/02/35/401980235.db2.gz SBNCIOBWBGEWOP-INIZCTEOSA-N 0 0 317.389 2.148 10 30 DEEERN C=CCCOCC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000143358053 401990857 /nfs/dbraw/zinc/99/08/57/401990857.db2.gz ZURAMMBPZFKWLS-CYBMUJFWSA-N 0 0 300.362 2.037 10 30 DEEERN O=C(ON1C(=O)CCC1=O)N1CCC(Cc2ccccc2)CC1 ZINC000145761562 401991712 /nfs/dbraw/zinc/99/17/12/401991712.db2.gz CYPQLCVPHKXSLC-UHFFFAOYSA-N 0 0 316.357 2.142 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCC(C#N)CC2)C1 ZINC000151419742 402035594 /nfs/dbraw/zinc/03/55/94/402035594.db2.gz JDLRTAVULVKXBB-ZDUSSCGKSA-N 0 0 307.394 2.006 10 30 DEEERN N#Cc1ccccc1CN1CCN(Cc2ccccc2CO)CC1 ZINC000055284082 402079285 /nfs/dbraw/zinc/07/92/85/402079285.db2.gz VZCVLQROJYNRQT-UHFFFAOYSA-N 0 0 321.424 2.368 10 30 DEEERN C#CCCCCNC(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000152255996 402085532 /nfs/dbraw/zinc/08/55/32/402085532.db2.gz BDLSBHVTAHYXKT-OAHLLOKOSA-N 0 0 315.417 2.377 10 30 DEEERN C[C@H](Nc1ccn(CCC#N)n1)C(=O)N[C@@H](C)c1ccccc1 ZINC000152773685 402108339 /nfs/dbraw/zinc/10/83/39/402108339.db2.gz YTUHFIVEAACNOP-KBPBESRZSA-N 0 0 311.389 2.475 10 30 DEEERN CCCCCCNC(=O)[C@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC000123055615 402108349 /nfs/dbraw/zinc/10/83/49/402108349.db2.gz SXROBHCXOZWICH-AWEZNQCLSA-N 0 0 315.421 2.261 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)c1cc(C(N)=O)cn1C ZINC000153006734 402121966 /nfs/dbraw/zinc/12/19/66/402121966.db2.gz LASYFMVERBMASV-UHFFFAOYSA-N 0 0 303.387 2.014 10 30 DEEERN C=CCN(C)C(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C ZINC000152891651 402115304 /nfs/dbraw/zinc/11/53/04/402115304.db2.gz WAVXPHYNCGKCIW-HNNXBMFYSA-N 0 0 304.390 2.094 10 30 DEEERN Cc1nn(C(C)(C)C)cc1[C@H](C)NS(=O)(=O)CC1(C#N)CC1 ZINC000152961327 402119503 /nfs/dbraw/zinc/11/95/03/402119503.db2.gz QGDMROGXMIAEID-LBPRGKRZSA-N 0 0 324.450 2.231 10 30 DEEERN N#Cc1cc(NC(=O)C(=O)NCCC2=CCCC2)ccc1F ZINC000123478421 402129586 /nfs/dbraw/zinc/12/95/86/402129586.db2.gz QVIFQAZCJDSBSN-UHFFFAOYSA-N 0 0 301.321 2.252 10 30 DEEERN C#CCOCCC(=O)N1CCC[C@@H]1Cc1ccccc1OC ZINC000124609441 402188121 /nfs/dbraw/zinc/18/81/21/402188121.db2.gz BMZYZZFLRGYFQV-MRXNPFEDSA-N 0 0 301.386 2.269 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000103441224 402188135 /nfs/dbraw/zinc/18/81/35/402188135.db2.gz KQWZOHBUMMUSBK-PWSUYJOCSA-N 0 0 321.327 2.078 10 30 DEEERN CCn1cnnc1C1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000068488010 402200402 /nfs/dbraw/zinc/20/04/02/402200402.db2.gz NYPLITKLGSEKRZ-UHFFFAOYSA-N 0 0 309.373 2.189 10 30 DEEERN CN(CC(=O)NC(C)(C)C)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000102955717 402175614 /nfs/dbraw/zinc/17/56/14/402175614.db2.gz IOOAGTWIBCOLAN-UHFFFAOYSA-N 0 0 306.341 2.076 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCC(Cn2cccn2)CC1 ZINC000126055148 402262197 /nfs/dbraw/zinc/26/21/97/402262197.db2.gz WRPFSHNVPOOYTF-UHFFFAOYSA-N 0 0 300.387 2.369 10 30 DEEERN N#C[C@@H](NC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CC1 ZINC000108836662 402262681 /nfs/dbraw/zinc/26/26/81/402262681.db2.gz CRLWIOGTCWLWEC-ZIAGYGMSSA-N 0 0 317.776 2.111 10 30 DEEERN C=CCNC(=O)CSCc1noc(Cc2ccccc2)n1 ZINC000068978528 402211111 /nfs/dbraw/zinc/21/11/11/402211111.db2.gz CJVVCKGXPDMTGL-UHFFFAOYSA-N 0 0 303.387 2.196 10 30 DEEERN N#CCCCCNC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000176590807 402321832 /nfs/dbraw/zinc/32/18/32/402321832.db2.gz ROLIQLMPARRDPJ-GFCCVEGCSA-N 0 0 321.812 2.307 10 30 DEEERN C=CCOC(=O)NCCCC[C@H]([NH2+]Cc1ccccc1)C(=O)[O-] ZINC000071788254 402277344 /nfs/dbraw/zinc/27/73/44/402277344.db2.gz TYDUNLVJZJOCEX-HNNXBMFYSA-N 0 0 320.389 2.312 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC[C@H](O)c1cc(OC)cc(OC)c1 ZINC000184589547 402280235 /nfs/dbraw/zinc/28/02/35/402280235.db2.gz STJCXIDOJVXEKE-WBMJQRKESA-N 0 0 307.390 2.456 10 30 DEEERN CC[C@H]1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000184643153 402287487 /nfs/dbraw/zinc/28/74/87/402287487.db2.gz SXEZSASCOOOLRI-LBPRGKRZSA-N 0 0 310.361 2.403 10 30 DEEERN C[C@@H]1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@H]1C ZINC000184642839 402287493 /nfs/dbraw/zinc/28/74/93/402287493.db2.gz HOOMUSKCYQFOGT-VXGBXAGGSA-N 0 0 310.361 2.401 10 30 DEEERN COC[C@@](C)(CCO)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000176406104 402306672 /nfs/dbraw/zinc/30/66/72/402306672.db2.gz MGJYUCIAYRELGJ-CQSZACIVSA-N 0 0 311.769 2.121 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000176581509 402321246 /nfs/dbraw/zinc/32/12/46/402321246.db2.gz LMBYVBRXBFCHJU-UHFFFAOYSA-N 0 0 312.354 2.193 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000230166911 402348539 /nfs/dbraw/zinc/34/85/39/402348539.db2.gz GOBTYIJAYQTCFG-GFCCVEGCSA-N 0 0 305.378 2.498 10 30 DEEERN Cc1sc(NC(=O)CN2[C@H](C)COC[C@H]2C)c(C#N)c1C ZINC000177288513 402387839 /nfs/dbraw/zinc/38/78/39/402387839.db2.gz UIPOKMXCVZWOJB-NXEZZACHSA-N 0 0 307.419 2.284 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000185728633 402372574 /nfs/dbraw/zinc/37/25/74/402372574.db2.gz BSJNAKDJJBFUSN-NSHDSACASA-N 0 0 303.280 2.181 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(F)c(F)cc1Br ZINC000185728549 402372613 /nfs/dbraw/zinc/37/26/13/402372613.db2.gz CIRXKYNXTSIFOT-SSDOTTSWSA-N 0 0 320.133 2.394 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(C)n(-c2cc(C)on2)c1C ZINC000185794976 402377633 /nfs/dbraw/zinc/37/76/33/402377633.db2.gz UOSMNYOWVNXFPR-CYBMUJFWSA-N 0 0 303.362 2.057 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000185847528 402382313 /nfs/dbraw/zinc/38/23/13/402382313.db2.gz APNPNIAGNSEQFJ-OAHLLOKOSA-N 0 0 318.417 2.016 10 30 DEEERN Cn1nnc2ccc(C(=O)N(CCC#N)Cc3ccco3)cc21 ZINC000185183101 402331851 /nfs/dbraw/zinc/33/18/51/402331851.db2.gz LZBXOLLOARAZIS-UHFFFAOYSA-N 0 0 309.329 2.117 10 30 DEEERN C#C[C@H](C)NC(=O)N1CCC(CN2CCc3ccccc32)CC1 ZINC000186031901 402397310 /nfs/dbraw/zinc/39/73/10/402397310.db2.gz CTHYDDBLIDWPGY-HNNXBMFYSA-N 0 0 311.429 2.492 10 30 DEEERN N#Cc1csc(C(=O)N2CCO[C@@H](c3nccs3)C2)c1 ZINC000177472077 402406755 /nfs/dbraw/zinc/40/67/55/402406755.db2.gz ICGMDBLWHGXQMJ-SNVBAGLBSA-N 0 0 305.384 2.290 10 30 DEEERN COc1ccccc1O[C@@H](C)CNC(=O)c1cc(C#N)cn1C ZINC000177477602 402407053 /nfs/dbraw/zinc/40/70/53/402407053.db2.gz QBSUPHSOHOOSEF-LBPRGKRZSA-N 0 0 313.357 2.103 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000186396567 402427680 /nfs/dbraw/zinc/42/76/80/402427680.db2.gz OIMJFQKZUPVCKG-OCCSQVGLSA-N 0 0 307.350 2.282 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000186461675 402432741 /nfs/dbraw/zinc/43/27/41/402432741.db2.gz ZQTBJFHHEIGZPJ-WCQYABFASA-N 0 0 316.361 2.034 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000186568419 402442676 /nfs/dbraw/zinc/44/26/76/402442676.db2.gz DJDQODXOHDPROZ-CVEARBPZSA-N 0 0 320.433 2.025 10 30 DEEERN COc1cccc(CNC(=O)Nc2ccc(F)cc2C#N)n1 ZINC000177895082 402442745 /nfs/dbraw/zinc/44/27/45/402442745.db2.gz HFOCNEZZBQRKAP-UHFFFAOYSA-N 0 0 300.293 2.423 10 30 DEEERN N#Cc1cc(F)ccc1NC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000177905287 402442961 /nfs/dbraw/zinc/44/29/61/402442961.db2.gz DYPKFRCPOMSZOQ-HOTGVXAUSA-N 0 0 311.316 2.477 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000185974093 402394150 /nfs/dbraw/zinc/39/41/50/402394150.db2.gz YOAFCJOLTKIYHC-UONOGXRCSA-N 0 0 317.414 2.469 10 30 DEEERN COCCC1(CNC(=O)[C@@H](C)Oc2ccccc2C#N)CC1 ZINC000163941414 402459164 /nfs/dbraw/zinc/45/91/64/402459164.db2.gz IOBIBCAIEBTWNV-CYBMUJFWSA-N 0 0 302.374 2.258 10 30 DEEERN CCC1(CC)[C@H](NC(=O)c2cc(C#N)cn2C)[C@H](C)[C@H]1OC ZINC000245640464 402475905 /nfs/dbraw/zinc/47/59/05/402475905.db2.gz YLPUDKSFYKKGRR-NILFDRSVSA-N 0 0 303.406 2.466 10 30 DEEERN N#CC1(CS(=O)(=O)N(C[C@@H]2CCCO2)C2CCCC2)CC1 ZINC000165703054 402477546 /nfs/dbraw/zinc/47/75/46/402477546.db2.gz ZBPZWKGCDWJLEZ-AWEZNQCLSA-N 0 0 312.435 2.044 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245709580 402481397 /nfs/dbraw/zinc/48/13/97/402481397.db2.gz SMNWKNTWMMGLAF-QVHKTLOISA-N 0 0 302.374 2.398 10 30 DEEERN C#CCOc1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000178352934 402488082 /nfs/dbraw/zinc/48/80/82/402488082.db2.gz PNRKKFDLDLPRIX-QZTJIDSGSA-N 0 0 307.349 2.087 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000170680787 402513634 /nfs/dbraw/zinc/51/36/34/402513634.db2.gz YTFPWYFQSFMQIK-ZFWWWQNUSA-N 0 0 324.384 2.455 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178405807 402494584 /nfs/dbraw/zinc/49/45/84/402494584.db2.gz OWYNIBIRXXYTNF-CYBMUJFWSA-N 0 0 309.435 2.216 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(CC#Cc3ccc(F)cc3)[C@H]2C1 ZINC000246059386 402506846 /nfs/dbraw/zinc/50/68/46/402506846.db2.gz BFUZNPJMXSCFNL-SQNIBIBYSA-N 0 0 303.377 2.446 10 30 DEEERN COC(=O)CC[N@H+](CC#Cc1ccccc1)C[C@H]1CCCO1 ZINC000178857065 402547185 /nfs/dbraw/zinc/54/71/85/402547185.db2.gz VIPPBAWIIKNHDF-QGZVFWFLSA-N 0 0 301.386 2.082 10 30 DEEERN CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C)C[C@@H](C)O1 ZINC000246890444 402548545 /nfs/dbraw/zinc/54/85/45/402548545.db2.gz GMLAQVJAUAXFGT-OCCSQVGLSA-N 0 0 308.403 2.055 10 30 DEEERN N#CCCCCNC(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000178686739 402526544 /nfs/dbraw/zinc/52/65/44/402526544.db2.gz QDUICUTVOHWAIM-OAHLLOKOSA-N 0 0 303.362 2.169 10 30 DEEERN Cn1cc([C@@H]2CCCN2C(=O)NCc2ccc(C#N)cc2)cn1 ZINC000171458917 402588202 /nfs/dbraw/zinc/58/82/02/402588202.db2.gz HGZFYAFMACRGAH-INIZCTEOSA-N 0 0 309.373 2.338 10 30 DEEERN CC[C@H]1c2ccsc2CCN1C(=O)Cn1ccnc1C#N ZINC000179871035 402603190 /nfs/dbraw/zinc/60/31/90/402603190.db2.gz VARZZXNRTGBINQ-LBPRGKRZSA-N 0 0 300.387 2.352 10 30 DEEERN C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)NC(C)(C)C ZINC000180163095 402608989 /nfs/dbraw/zinc/60/89/89/402608989.db2.gz TVFVUSVRMRTYIW-GFCCVEGCSA-N 0 0 313.401 2.275 10 30 DEEERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](C)C#N ZINC000171847095 402628011 /nfs/dbraw/zinc/62/80/11/402628011.db2.gz LJPJJHQYPBEAIK-KCQAQPDRSA-N 0 0 301.390 2.107 10 30 DEEERN N#C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CCS2)C1CC1 ZINC000171725216 402615089 /nfs/dbraw/zinc/61/50/89/402615089.db2.gz VQNCDIAXWPMFSR-GFCCVEGCSA-N 0 0 301.371 2.153 10 30 DEEERN C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccccc1 ZINC000248937443 402615562 /nfs/dbraw/zinc/61/55/62/402615562.db2.gz NLERYCPQCDFHEB-FUHWJXTLSA-N 0 0 321.380 2.439 10 30 DEEERN N#CC1(c2ccc(C(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000180535967 402619860 /nfs/dbraw/zinc/61/98/60/402619860.db2.gz GDXHUANFNJQSTD-CVEARBPZSA-N 0 0 323.396 2.125 10 30 DEEERN N#Cc1ccc(OCCNC(=O)NCC[C@@H]2CCCCO2)cc1 ZINC000181355496 402642801 /nfs/dbraw/zinc/64/28/01/402642801.db2.gz NFIYRAAMYCWTDL-HNNXBMFYSA-N 0 0 317.389 2.195 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000181373977 402643450 /nfs/dbraw/zinc/64/34/50/402643450.db2.gz MQIWKBPNJOTUHL-HUUCEWRRSA-N 0 0 319.453 2.433 10 30 DEEERN C[C@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181548447 402648949 /nfs/dbraw/zinc/64/89/49/402648949.db2.gz LJAOUWDFUFTSEA-CZUORRHYSA-N 0 0 314.385 2.166 10 30 DEEERN C=CCNC(=O)CNC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000181644081 402652712 /nfs/dbraw/zinc/65/27/12/402652712.db2.gz TUYVIWFGQYCRGP-HOTGVXAUSA-N 0 0 300.402 2.332 10 30 DEEERN C[C@@H]1CSCCN1C(=O)NCCOc1ccc(C#N)cc1 ZINC000173795859 402712828 /nfs/dbraw/zinc/71/28/28/402712828.db2.gz BXCNSABJFUJPBC-GFCCVEGCSA-N 0 0 305.403 2.084 10 30 DEEERN N#Cc1ccc(OCCNC(=O)COc2ccc(F)cc2)cc1 ZINC000173886237 402717141 /nfs/dbraw/zinc/71/71/41/402717141.db2.gz YJAGJCXPXVLZHH-UHFFFAOYSA-N 0 0 314.316 2.271 10 30 DEEERN CCn1cc(C2CCN(C(=O)NCCCCC#N)CC2)cn1 ZINC000172582768 402663715 /nfs/dbraw/zinc/66/37/15/402663715.db2.gz GIMHZSANRKFWPH-UHFFFAOYSA-N 0 0 303.410 2.486 10 30 DEEERN COc1ccc(CN[C@@H](C)c2nnc3n2CCCC3)cc1C#N ZINC000173360994 402693905 /nfs/dbraw/zinc/69/39/05/402693905.db2.gz DBJDVUCIAKUXGK-LBPRGKRZSA-N 0 0 311.389 2.345 10 30 DEEERN CN(C(=O)NCCCCC#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000174726577 402753848 /nfs/dbraw/zinc/75/38/48/402753848.db2.gz PBCNNEALIUAEKD-OAHLLOKOSA-N 0 0 314.389 2.127 10 30 DEEERN CC(C)[C@H](NC(=O)c1ccnc(C#N)c1)c1nc(C2CC2)no1 ZINC000193125329 402765843 /nfs/dbraw/zinc/76/58/43/402765843.db2.gz QTRAWFRHGIOFSS-ZDUSSCGKSA-N 0 0 311.345 2.341 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000183950933 402807794 /nfs/dbraw/zinc/80/77/94/402807794.db2.gz REXUBDIUWWHAMZ-GOSISDBHSA-N 0 0 304.353 2.078 10 30 DEEERN C=CCn1c(C)nnc1SCc1cc(-c2cnn(C)c2)no1 ZINC000183955657 402808146 /nfs/dbraw/zinc/80/81/46/402808146.db2.gz VQRBRXTWKVEVOP-UHFFFAOYSA-N 0 0 316.390 2.453 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000184107982 402818877 /nfs/dbraw/zinc/81/88/77/402818877.db2.gz UWQRVPKPGGQVIS-DGCLKSJQSA-N 0 0 308.426 2.244 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(C(=O)NCC(C)C)cc1 ZINC000184182693 402824638 /nfs/dbraw/zinc/82/46/38/402824638.db2.gz FENUTEDCAMDOJG-OAHLLOKOSA-N 0 0 319.405 2.131 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184216993 402827595 /nfs/dbraw/zinc/82/75/95/402827595.db2.gz RMMSVOCWHWDUKE-UHFFFAOYSA-N 0 0 317.395 2.170 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)c2cc(F)ccc2O)cn1 ZINC000184280753 402832451 /nfs/dbraw/zinc/83/24/51/402832451.db2.gz YAZOPYRGQDDTCW-UHFFFAOYSA-N 0 0 323.287 2.236 10 30 DEEERN N#Cc1cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)ccn1 ZINC000195276573 402839787 /nfs/dbraw/zinc/83/97/87/402839787.db2.gz GNMYQQCHLIYXIW-UHFFFAOYSA-N 0 0 306.325 2.098 10 30 DEEERN Cc1cccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1O ZINC000183665717 402787191 /nfs/dbraw/zinc/78/71/91/402787191.db2.gz IMFJAXMAQQUNAQ-UHFFFAOYSA-N 0 0 319.324 2.405 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccccc1S[C@@H](C)C(=O)OC ZINC000273464280 403006768 /nfs/dbraw/zinc/00/67/68/403006768.db2.gz DLFVVCSCRZVHCQ-NWDGAFQWSA-N 0 0 323.414 2.007 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(-c2nnco2)ccc1C ZINC000273550456 403014384 /nfs/dbraw/zinc/01/43/84/403014384.db2.gz FVTYENXIYCCVRN-GFCCVEGCSA-N 0 0 302.334 2.104 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000274293644 403042375 /nfs/dbraw/zinc/04/23/75/403042375.db2.gz CFIQRAURPOVDIQ-ZBFHGGJFSA-N 0 0 315.417 2.291 10 30 DEEERN C=CCN1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2C)C1=O ZINC000281143097 403059145 /nfs/dbraw/zinc/05/91/45/403059145.db2.gz DXVVVNCJGWSSJR-HNNXBMFYSA-N 0 0 303.362 2.122 10 30 DEEERN C=CCCCCNC(=O)C(=O)Nc1ccc2nc(C)cn2c1 ZINC000274517068 403063241 /nfs/dbraw/zinc/06/32/41/403063241.db2.gz MNVYAXUCOLMYIM-UHFFFAOYSA-N 0 0 300.362 2.054 10 30 DEEERN C=CCN1CC[C@H](N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)C1=O ZINC000281948680 403107557 /nfs/dbraw/zinc/10/75/57/403107557.db2.gz JITDJUMZHMAPON-RRQGHBQHSA-N 0 0 318.392 2.374 10 30 DEEERN C=C[C@@](C)(CC)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000276018319 403139665 /nfs/dbraw/zinc/13/96/65/403139665.db2.gz RSDKQZLCUNKUGQ-KRWDZBQOSA-N 0 0 321.396 2.276 10 30 DEEERN C=CCCN(C)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000276157833 403149793 /nfs/dbraw/zinc/14/97/93/403149793.db2.gz QYRBXVQOKGLPKZ-UHFFFAOYSA-N 0 0 317.794 2.308 10 30 DEEERN C=CCCN(C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000276200873 403153159 /nfs/dbraw/zinc/15/31/59/403153159.db2.gz YQMBSUFUVVAYQV-LBPRGKRZSA-N 0 0 310.419 2.369 10 30 DEEERN CC[C@H]1CN(c2nnc(C)c(C)c2C#N)CCN1CC(F)F ZINC000270802144 403226051 /nfs/dbraw/zinc/22/60/51/403226051.db2.gz NWEMKBNSFOYJHQ-LBPRGKRZSA-N 0 0 309.364 2.131 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCOC[C@H]1C ZINC000277636270 403239285 /nfs/dbraw/zinc/23/92/85/403239285.db2.gz ZELRZXXOBZXJJW-YPMHNXCESA-N 0 0 306.337 2.384 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N(C)CC(C)(C)C ZINC000283312348 403188572 /nfs/dbraw/zinc/18/85/72/403188572.db2.gz PPGBPGFXALDDNR-CYBMUJFWSA-N 0 0 308.426 2.424 10 30 DEEERN C=CCCC(=O)NC[C@](C)(NC(=O)CCC=C)C(F)(F)F ZINC000284603789 403269762 /nfs/dbraw/zinc/26/97/62/403269762.db2.gz HWEGNKRGYFLXFZ-ZDUSSCGKSA-N 0 0 306.328 2.472 10 30 DEEERN C=CCCCS(=O)(=O)N1CC[C@@H](C(=O)OC)c2ccccc21 ZINC000292176994 403313479 /nfs/dbraw/zinc/31/34/79/403313479.db2.gz DSDUDUFCICIRMT-CQSZACIVSA-N 0 0 323.414 2.449 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N[C@H]1CCC[C@H](CO)C1 ZINC000298509982 403400933 /nfs/dbraw/zinc/40/09/33/403400933.db2.gz BFBQCHJKCLRBEM-HOCLYGCPSA-N 0 0 316.401 2.049 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCNC(=O)CC(C)C ZINC000285973447 403422753 /nfs/dbraw/zinc/42/27/53/403422753.db2.gz WRSHKEQPNJVAJC-QGZVFWFLSA-N 0 0 314.429 2.290 10 30 DEEERN CC(C)(C)[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)C[C@H]1O ZINC000286136432 403456948 /nfs/dbraw/zinc/45/69/48/403456948.db2.gz GDBPPKFFAIIIGP-GXTWGEPZSA-N 0 0 318.377 2.282 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCC ZINC000286016885 403432034 /nfs/dbraw/zinc/43/20/34/403432034.db2.gz AEIKLADTQHZWOA-MRXNPFEDSA-N 0 0 300.402 2.044 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)c1ccco1 ZINC000287153529 403554934 /nfs/dbraw/zinc/55/49/34/403554934.db2.gz GGMDJNXLZCWIEO-HOCLYGCPSA-N 0 0 324.380 2.149 10 30 DEEERN Cc1nnc(NC2CCN(C(=O)OC(C)C)CC2)c(C#N)c1C ZINC000301245431 403604919 /nfs/dbraw/zinc/60/49/19/403604919.db2.gz PUXIYXNDGPZLEW-UHFFFAOYSA-N 0 0 317.393 2.386 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](CO)CC1CCC1 ZINC000287308494 403572015 /nfs/dbraw/zinc/57/20/15/403572015.db2.gz JJOZBJZPVSAURY-ROUUACIJSA-N 0 0 314.429 2.471 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCNc1ccccn1 ZINC000287327782 403576006 /nfs/dbraw/zinc/57/60/06/403576006.db2.gz KIHTVNTXDYVZAX-QGZVFWFLSA-N 0 0 322.412 2.427 10 30 DEEERN CCOC(=O)N[C@@H]1CCCN(c2cc(C)nc(C)c2C#N)C1 ZINC000301811770 403683859 /nfs/dbraw/zinc/68/38/59/403683859.db2.gz ZRPQSTFGQOTETD-CYBMUJFWSA-N 0 0 302.378 2.285 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000287966270 403701075 /nfs/dbraw/zinc/70/10/75/403701075.db2.gz HYCIXWIBXWHOPR-UONOGXRCSA-N 0 0 322.405 2.391 10 30 DEEERN C#CCN1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000301985669 403706783 /nfs/dbraw/zinc/70/67/83/403706783.db2.gz COKRLJYHEVRVJR-UHFFFAOYSA-N 0 0 310.357 2.207 10 30 DEEERN C#Cc1cccc(N(CC)S(=O)(=O)[C@H]2CCO[C@@H](C)C2)c1 ZINC000294350154 403711102 /nfs/dbraw/zinc/71/11/02/403711102.db2.gz ZFJLPTJOPAKTLS-BBRMVZONSA-N 0 0 307.415 2.392 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(CO)CC1 ZINC000288212821 403742087 /nfs/dbraw/zinc/74/20/87/403742087.db2.gz QKMLLMBCPKOREL-KRWDZBQOSA-N 0 0 300.402 2.035 10 30 DEEERN C=CCN(CCc1ccco1)S(=O)(=O)[C@H]1CCO[C@@H](C)C1 ZINC000295158442 403778708 /nfs/dbraw/zinc/77/87/08/403778708.db2.gz MVQSHGYRWUERQN-ZFWWWQNUSA-N 0 0 313.419 2.207 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cn(C)c(=O)cc1C ZINC000288974301 403802446 /nfs/dbraw/zinc/80/24/46/403802446.db2.gz CXLVBVZOLANCLM-MRXNPFEDSA-N 0 0 323.396 2.450 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N(C)c1ccccc1 ZINC000289311674 403906934 /nfs/dbraw/zinc/90/69/34/403906934.db2.gz AQWVMXVAEZPMHO-CQSZACIVSA-N 0 0 300.362 2.320 10 30 DEEERN C=CCCOCCNC(=O)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000289347831 403921157 /nfs/dbraw/zinc/92/11/57/403921157.db2.gz GGQKSRWKUUPYSL-UHFFFAOYSA-N 0 0 324.808 2.007 10 30 DEEERN C=C[C@H](C)NC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000362381554 403950170 /nfs/dbraw/zinc/95/01/70/403950170.db2.gz ZBLLCQSXFMFDQE-NSHDSACASA-N 0 0 323.343 2.007 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1nccn1-c1ccccc1 ZINC000348008349 404006759 /nfs/dbraw/zinc/00/67/59/404006759.db2.gz JZKWMCRUDPZNIA-KGLIPLIRSA-N 0 0 314.389 2.170 10 30 DEEERN C=CCCOCCCCC(=O)Nc1ccc(C(=O)N(C)C)cn1 ZINC000348580085 404080284 /nfs/dbraw/zinc/08/02/84/404080284.db2.gz RURQNRDKNNNSRY-UHFFFAOYSA-N 0 0 319.405 2.485 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CN1C(=O)[C@@H]2[C@@H]3CCC[C@H]3CN2C1=O ZINC000348763867 404098156 /nfs/dbraw/zinc/09/81/56/404098156.db2.gz WSXMNOXKPABFNX-QRTUWBSPSA-N 0 0 304.390 2.030 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000328716441 404135968 /nfs/dbraw/zinc/13/59/68/404135968.db2.gz OVKUBKWLFOYCOM-MJBXVCDLSA-N 0 0 306.410 2.092 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCO[C@H](C)[C@@H]1C)CCC2 ZINC000328728255 404139455 /nfs/dbraw/zinc/13/94/55/404139455.db2.gz VMCDVYLVDQXXQV-MJBXVCDLSA-N 0 0 306.410 2.092 10 30 DEEERN CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)N(C)C1 ZINC000329061071 404214789 /nfs/dbraw/zinc/21/47/89/404214789.db2.gz ZFFMYVGONGLRNG-FZKCQIBNSA-N 0 0 304.390 2.192 10 30 DEEERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000328984260 404190078 /nfs/dbraw/zinc/19/00/78/404190078.db2.gz SSHOKOFMPUVPCY-BRWVUGGUSA-N 0 0 315.417 2.052 10 30 DEEERN Cn1nccc1[C@H]1[C@H](NC(=O)[C@H]2CCC(C)(C)C2)CC(=O)N1C ZINC000329011716 404199406 /nfs/dbraw/zinc/19/94/06/404199406.db2.gz IJZQWRMDQMMEMR-YWPYICTPSA-N 0 0 318.421 2.475 10 30 DEEERN O=C(N[C@@H]1CCC(=O)N[C@@H]1C1CC1)[C@@H](O)Cc1ccccc1 ZINC000329116768 404236032 /nfs/dbraw/zinc/23/60/32/404236032.db2.gz NNSFJQFYBBEGBQ-IJEWVQPXSA-N 0 0 302.374 2.444 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000370105468 404336211 /nfs/dbraw/zinc/33/62/11/404336211.db2.gz OMPSNIDYAPKTJT-LJIGWXMPSA-N 0 0 311.422 2.153 10 30 DEEERN CC#CCCCC(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000364066034 404305583 /nfs/dbraw/zinc/30/55/83/404305583.db2.gz LUPQCYJHSHYFKU-UHFFFAOYSA-N 0 0 300.406 2.124 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC000364073167 404307681 /nfs/dbraw/zinc/30/76/81/404307681.db2.gz OVGVCVDEVALHIG-KGLIPLIRSA-N 0 0 310.438 2.121 10 30 DEEERN C=CCSCCNC(=O)C(=O)N(C)Cc1ccc(F)cc1C ZINC000355294912 404321346 /nfs/dbraw/zinc/32/13/46/404321346.db2.gz XONNZAVADVBEPJ-UHFFFAOYSA-N 0 0 324.421 2.128 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N1CCO[C@@H](C2CC2)C1 ZINC000364514789 404428196 /nfs/dbraw/zinc/42/81/96/404428196.db2.gz ZBLWGLBEFCYTCZ-MRXNPFEDSA-N 0 0 318.348 2.480 10 30 DEEERN CCOc1cc(NC2CCN(c3ccncc3C#N)CC2)ncn1 ZINC000364365872 404369025 /nfs/dbraw/zinc/36/90/25/404369025.db2.gz SYYLYTKHTHSWGB-UHFFFAOYSA-N 0 0 324.388 2.223 10 30 DEEERN C#C[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC(C)C ZINC000364378241 404373403 /nfs/dbraw/zinc/37/34/03/404373403.db2.gz AQCPKLJEBPYJJT-YOEHRIQHSA-N 0 0 312.413 2.124 10 30 DEEERN O=C(NCCn1cccn1)N1CCO[C@H](C2CCCCC2)C1 ZINC000329673343 404418121 /nfs/dbraw/zinc/41/81/21/404418121.db2.gz NZOLUOFEMUFTJA-HNNXBMFYSA-N 0 0 306.410 2.078 10 30 DEEERN Cn1c2cc(O)c(NC(=O)[C@H]3CCCSC3)cc2n(C)c1=O ZINC000329679788 404420245 /nfs/dbraw/zinc/42/02/45/404420245.db2.gz WDDRFFCTUIPNGX-VIFPVBQESA-N 0 0 321.402 2.314 10 30 DEEERN CNC(=O)C1(C(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)CC1 ZINC000329690424 404423171 /nfs/dbraw/zinc/42/31/71/404423171.db2.gz ZKVNRFWZIZRWRS-LLVKDONJSA-N 0 0 318.377 2.020 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N(CC1CC1)C1CCC1 ZINC000350730977 404452388 /nfs/dbraw/zinc/45/23/88/404452388.db2.gz XEZULAYBYRDNNU-HNNXBMFYSA-N 0 0 318.421 2.321 10 30 DEEERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000330198399 404582184 /nfs/dbraw/zinc/58/21/84/404582184.db2.gz TZXZIQPQFAKFBI-VXGBXAGGSA-N 0 0 312.435 2.356 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(c2cc(OC)cc(OC)c2C)C1=O ZINC000414359196 404591155 /nfs/dbraw/zinc/59/11/55/404591155.db2.gz NOOFREBMBBCZIY-LBPRGKRZSA-N 0 0 304.346 2.403 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)CCCCO ZINC000297894721 404653037 /nfs/dbraw/zinc/65/30/37/404653037.db2.gz HNVACLUXCSEBTK-RDJZCZTQSA-N 0 0 302.418 2.471 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000297760822 404615756 /nfs/dbraw/zinc/61/57/56/404615756.db2.gz IVYMSYFLVOLDEW-UHFFFAOYSA-N 0 0 311.385 2.087 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N(C)CCc1ccc(F)cc1 ZINC000297781259 404619926 /nfs/dbraw/zinc/61/99/26/404619926.db2.gz HWVCTOBJEZTKOH-UHFFFAOYSA-N 0 0 306.381 2.251 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)N(C)Cc2ccc[nH]2)c1 ZINC000356737997 404674505 /nfs/dbraw/zinc/67/45/05/404674505.db2.gz DFSZSYVPRXSAHY-UHFFFAOYSA-N 0 0 313.357 2.177 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)C(=O)NCC[C@@H]1CCOC1 ZINC000356784777 404691020 /nfs/dbraw/zinc/69/10/20/404691020.db2.gz BRFNFIAIDUMQRB-MRXNPFEDSA-N 0 0 322.449 2.124 10 30 DEEERN C[C@@H]1CCOCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000365552285 404689222 /nfs/dbraw/zinc/68/92/22/404689222.db2.gz AEKRZGOVLZZJKF-RHSMWYFYSA-N 0 0 313.401 2.164 10 30 DEEERN CS[C@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000365465291 404668277 /nfs/dbraw/zinc/66/82/77/404668277.db2.gz HVTPMGBLYVJAEJ-CVEARBPZSA-N 0 0 315.442 2.289 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H](COC)c1ccccc1 ZINC000357958701 404749432 /nfs/dbraw/zinc/74/94/32/404749432.db2.gz KRURTBWFMKWTIA-GDBMZVCRSA-N 0 0 318.417 2.351 10 30 DEEERN C=CCOc1ccccc1CN1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000352976964 404708742 /nfs/dbraw/zinc/70/87/42/404708742.db2.gz MLWQNUORZYLIHC-JKSUJKDBSA-N 0 0 300.402 2.494 10 30 DEEERN C=C(C)Cn1c(CC(C)C)nnc1N1C[C@H](C(N)=O)CC[C@H]1C ZINC000358837465 404777530 /nfs/dbraw/zinc/77/75/30/404777530.db2.gz WVMHNHVTQURWRW-ZIAGYGMSSA-N 0 0 319.453 2.143 10 30 DEEERN CCCn1ccnc1CCCN(C)C(=O)c1ccc(C#N)n1C ZINC000451183142 404890574 /nfs/dbraw/zinc/89/05/74/404890574.db2.gz JVZRDWYAHZZSNI-UHFFFAOYSA-N 0 0 313.405 2.208 10 30 DEEERN C=CCCCCNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000366741127 404840347 /nfs/dbraw/zinc/84/03/47/404840347.db2.gz UAKSWFXFFXBIJY-AWEZNQCLSA-N 0 0 305.426 2.044 10 30 DEEERN C=CC[C@H](C)NC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000434603431 404913593 /nfs/dbraw/zinc/91/35/93/404913593.db2.gz BBOHHJNACWYYSB-UWVGGRQHSA-N 0 0 307.419 2.287 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H]1CCO[C@H](CC(C)C)C1 ZINC000361131311 404936852 /nfs/dbraw/zinc/93/68/52/404936852.db2.gz IQZQLWLMLVNLTN-LSDHHAIUSA-N 0 0 310.438 2.121 10 30 DEEERN C=CCc1ccc(OCC(=O)N(C)c2nncs2)c(OC)c1 ZINC000361298745 405013442 /nfs/dbraw/zinc/01/34/42/405013442.db2.gz YXSAKFLLPQBANH-UHFFFAOYSA-N 0 0 319.386 2.317 10 30 DEEERN COC[C@H](NS(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000435430741 404979815 /nfs/dbraw/zinc/97/98/15/404979815.db2.gz FIMMJMHSCIWDQB-ZDUSSCGKSA-N 0 0 322.411 2.286 10 30 DEEERN C[C@@H]1C[C@H]1N1C[C@H](Nc2nc3c(cc2C#N)CCCC3)CC1=O ZINC000408051625 405098350 /nfs/dbraw/zinc/09/83/50/405098350.db2.gz PZKOIDMNOHDCQT-DJSGYFEHSA-N 0 0 310.401 2.253 10 30 DEEERN Cc1ccc(N2CCC[C@H](N(C)c3cnccc3C#N)C2)nn1 ZINC000367529430 405073623 /nfs/dbraw/zinc/07/36/23/405073623.db2.gz PEWGAIZJSTUBKV-HNNXBMFYSA-N 0 0 308.389 2.157 10 30 DEEERN C=CCNC(=O)NC(=O)CN1CCC[C@@H]1c1ccc(F)cc1F ZINC000451980231 405116289 /nfs/dbraw/zinc/11/62/89/405116289.db2.gz QUHVJJWFBGPLEY-CQSZACIVSA-N 0 0 323.343 2.114 10 30 DEEERN N#Cc1cnc(N2CCC[C@@H](C(=O)N3CCCC3)C2)c(Cl)c1 ZINC000408125327 405117453 /nfs/dbraw/zinc/11/74/53/405117453.db2.gz YDVBHMALZNURDK-CYBMUJFWSA-N 0 0 318.808 2.445 10 30 DEEERN N#Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000408129329 405118247 /nfs/dbraw/zinc/11/82/47/405118247.db2.gz OLARRIQQJIEVLF-MRXNPFEDSA-N 0 0 311.385 2.033 10 30 DEEERN C=CCC1(C(=O)NCC2(C(=O)N(C)C)CCCC2)CCOCC1 ZINC000424670893 405145114 /nfs/dbraw/zinc/14/51/14/405145114.db2.gz VJPYBWIXODBTFA-UHFFFAOYSA-N 0 0 322.449 2.124 10 30 DEEERN C=CCCn1cc(C(=O)N[C@@H](C)c2c(F)cccc2OC)nn1 ZINC000424703837 405154536 /nfs/dbraw/zinc/15/45/36/405154536.db2.gz ZXUYSCCQKYRRIG-NSHDSACASA-N 0 0 318.352 2.493 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408259355 405154885 /nfs/dbraw/zinc/15/48/85/405154885.db2.gz KBLPAGVSVDPSMN-QGZVFWFLSA-N 0 0 312.373 2.001 10 30 DEEERN C=CCC1(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)CCOCC1 ZINC000424689474 405151242 /nfs/dbraw/zinc/15/12/42/405151242.db2.gz OYOMMHSJBHFPRI-ZDUSSCGKSA-N 0 0 319.449 2.457 10 30 DEEERN C=C(C)C(C)(C)C(=O)N1CCS(=O)(=O)C(CC)(CC)C1 ZINC000424803938 405183102 /nfs/dbraw/zinc/18/31/02/405183102.db2.gz ZDRDAXNZYNJOMU-UHFFFAOYSA-N 0 0 301.452 2.405 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000437790540 405219880 /nfs/dbraw/zinc/21/98/80/405219880.db2.gz YMMJUSZLYZDXSY-DLBZAZTESA-N 0 0 323.396 2.297 10 30 DEEERN CC#CCCNC(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000361675910 405193999 /nfs/dbraw/zinc/19/39/99/405193999.db2.gz PBUUUZOBHBSPLD-UHFFFAOYSA-N 0 0 311.389 2.032 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@](C)(O)CCc1ccccc1 ZINC000424905319 405209518 /nfs/dbraw/zinc/20/95/18/405209518.db2.gz CDPVBGFKUHIWSV-XYJFISCASA-N 0 0 303.402 2.078 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCOCC(F)(F)C(F)F ZINC000424927002 405213948 /nfs/dbraw/zinc/21/39/48/405213948.db2.gz VCGBYTCCDWQRTC-UWVGGRQHSA-N 0 0 313.291 2.001 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CSCC(=O)c1ccccc1 ZINC000424929398 405214167 /nfs/dbraw/zinc/21/41/67/405214167.db2.gz BFWVKBHICTZOLD-HOCLYGCPSA-N 0 0 319.426 2.310 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)CC(C)(C)CO ZINC000452902895 405257254 /nfs/dbraw/zinc/25/72/54/405257254.db2.gz YLOSPWQQYJUJSF-INIZCTEOSA-N 0 0 318.417 2.439 10 30 DEEERN C=CC[C@H](CO)CNC(=O)Nc1ccc2cc[nH]c(=O)c2c1 ZINC000425758698 405318072 /nfs/dbraw/zinc/31/80/72/405318072.db2.gz VCODJRKAZSUVOZ-NSHDSACASA-N 0 0 301.346 2.247 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H](C(C)C)C1 ZINC000425879623 405326277 /nfs/dbraw/zinc/32/62/77/405326277.db2.gz JAHDPEYHXXISFD-VGWMRTNUSA-N 0 0 322.449 2.025 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](CCC)CCCC ZINC000425882283 405326511 /nfs/dbraw/zinc/32/65/11/405326511.db2.gz DKXZXNCLHNAOAA-KKUMJFAQSA-N 0 0 310.438 2.169 10 30 DEEERN C=CCC[C@H](NC(=O)N1CC[C@H](C(=O)NC)C1)c1ccccc1 ZINC000420815722 405389350 /nfs/dbraw/zinc/38/93/50/405389350.db2.gz JSIPPRNJQMLAAG-HOTGVXAUSA-N 0 0 315.417 2.471 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NCc1ccc(N2CCCCC2)nc1 ZINC000448716266 405440784 /nfs/dbraw/zinc/44/07/84/405440784.db2.gz WHUVBPCNUDFDRI-UHFFFAOYSA-N 0 0 323.400 2.212 10 30 DEEERN C=CCCCNC(=O)N1CCc2nnn(C3CC(C)C3)c2C1 ZINC000633197471 405498354 /nfs/dbraw/zinc/49/83/54/405498354.db2.gz QUNYTZIOIFEEQF-UHFFFAOYSA-N 0 0 303.410 2.283 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000456764844 405556342 /nfs/dbraw/zinc/55/63/42/405556342.db2.gz FYXCVSZNVDZSAO-JTQLQIEISA-N 0 0 318.295 2.080 10 30 DEEERN C[C@H](NC(=O)NCC1CCC(C#N)CC1)c1cc[nH]c(=O)c1 ZINC000458726937 405560141 /nfs/dbraw/zinc/56/01/41/405560141.db2.gz HYHAFVHXTDTXFI-HIFPTAJRSA-N 0 0 302.378 2.477 10 30 DEEERN CC#CCN(C)C(=O)[C@@H](C)Cc1c(C)nn(COCC)c1C ZINC000633215665 405508560 /nfs/dbraw/zinc/50/85/60/405508560.db2.gz XYUWDPGMQKQREE-ZDUSSCGKSA-N 0 0 305.422 2.154 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000456759727 405553162 /nfs/dbraw/zinc/55/31/62/405553162.db2.gz RZVLMYHVEXUTRK-WQVCFCJDSA-N 0 0 316.401 2.338 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1coc(C(F)(F)F)n1 ZINC000635889801 405583589 /nfs/dbraw/zinc/58/35/89/405583589.db2.gz MNIFULKHZIYWRX-PSASIEDQSA-N 0 0 304.268 2.404 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](O)C(C)(C)CC ZINC000635918440 405603647 /nfs/dbraw/zinc/60/36/47/405603647.db2.gz BPYFNKLHCGQIQZ-HNNXBMFYSA-N 0 0 309.406 2.474 10 30 DEEERN C=CC(C)(C)CNC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000458989846 405679904 /nfs/dbraw/zinc/67/99/04/405679904.db2.gz QNJIZLGCHAQVOB-HNNXBMFYSA-N 0 0 317.433 2.197 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](c2cccnc2)C1 ZINC000633532593 405701608 /nfs/dbraw/zinc/70/16/08/405701608.db2.gz ATPWDSHEYQAESX-SJORKVTESA-N 0 0 315.417 2.259 10 30 DEEERN Cc1[nH]c(C#N)cc1C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000450142152 405753792 /nfs/dbraw/zinc/75/37/92/405753792.db2.gz BEMYILTXADNSJC-CYBMUJFWSA-N 0 0 311.341 2.155 10 30 DEEERN CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)c2ccc(C#N)o2)C1 ZINC000457222537 405760116 /nfs/dbraw/zinc/76/01/16/405760116.db2.gz ABFGBTKCIVLXHL-INIZCTEOSA-N 0 0 304.346 2.345 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)NCCc1cn(C)cn1 ZINC000459191598 405794344 /nfs/dbraw/zinc/79/43/44/405794344.db2.gz YIRUMMFOWPXBNZ-UHFFFAOYSA-N 0 0 316.380 2.500 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000633750285 405820548 /nfs/dbraw/zinc/82/05/48/405820548.db2.gz OXHLXRORWQSJFL-DZGCQCFKSA-N 0 0 315.772 2.346 10 30 DEEERN CCn1c2ccc(C#N)cc2nc1NC(=O)Cc1cn(C)nc1C ZINC000450306818 405826759 /nfs/dbraw/zinc/82/67/59/405826759.db2.gz DVLUKSQTAPXJNE-UHFFFAOYSA-N 0 0 322.372 2.151 10 30 DEEERN C[C@@H](NC(=O)Cc1cccc(C#N)c1)c1ccc2c(c1)CC(=O)N2 ZINC000530908189 405880351 /nfs/dbraw/zinc/88/03/51/405880351.db2.gz WKCRLWOODSZZJR-GFCCVEGCSA-N 0 0 319.364 2.473 10 30 DEEERN C=CCOCCCC(=O)Nc1ccc2[nH]c(C(N)=O)cc2c1 ZINC000633780260 405832618 /nfs/dbraw/zinc/83/26/18/405832618.db2.gz BLUORSUCGCWDLX-UHFFFAOYSA-N 0 0 301.346 2.188 10 30 DEEERN CN(C)c1cccc(S(=O)(=O)N(C2CC2)C2(C#N)CCC2)c1 ZINC000619751288 405930949 /nfs/dbraw/zinc/93/09/49/405930949.db2.gz WDXFXGWHSLTEAN-UHFFFAOYSA-N 0 0 319.430 2.352 10 30 DEEERN C=CCCC(C)(C)CNC(=O)CN1C(=O)c2ccccc2C1=O ZINC000633963639 405933835 /nfs/dbraw/zinc/93/38/35/405933835.db2.gz NYSOTAMWGYGXMJ-UHFFFAOYSA-N 0 0 314.385 2.391 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1c(Br)cnn1C ZINC000633978006 405940577 /nfs/dbraw/zinc/94/05/77/405940577.db2.gz FVMRBBNYHHOSJB-VIFPVBQESA-N 0 0 300.200 2.401 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1ccccc1OC ZINC000636449512 405964990 /nfs/dbraw/zinc/96/49/90/405964990.db2.gz NJSUMIZDQKMHMD-UHFFFAOYSA-N 0 0 304.390 2.030 10 30 DEEERN COCCOc1ccc(NC(=O)Cc2cccc(C#N)c2)cn1 ZINC000531147429 405913811 /nfs/dbraw/zinc/91/38/11/405913811.db2.gz XNUBZNUWVSIYFZ-UHFFFAOYSA-N 0 0 311.341 2.160 10 30 DEEERN C=C(C)[C@H](CC(=O)Nc1cccc2c1NC(=O)CO2)OCC ZINC000636369104 405919318 /nfs/dbraw/zinc/91/93/18/405919318.db2.gz WSVDHHUXVLBMJX-ZDUSSCGKSA-N 0 0 304.346 2.327 10 30 DEEERN N#Cc1cnccc1NC[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000561318630 405919423 /nfs/dbraw/zinc/91/94/23/405919423.db2.gz POOUFZRLCPZUDG-LLVKDONJSA-N 0 0 321.302 2.056 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCC1CCSCC1 ZINC000636629935 406033737 /nfs/dbraw/zinc/03/37/37/406033737.db2.gz BEJNMFQMDRJGFD-UHFFFAOYSA-N 0 0 312.479 2.354 10 30 DEEERN COc1ccc(C(=O)C[C@@H](C)C(=O)NCC2(C#N)CC2)cc1 ZINC000562436602 406008367 /nfs/dbraw/zinc/00/83/67/406008367.db2.gz NDNYQBCOBJAPEM-GFCCVEGCSA-N 0 0 300.358 2.324 10 30 DEEERN C=CCn1cc(CNC(=O)N2CCC[C@]3(CC=CCC3)C2)nn1 ZINC000515835903 406082304 /nfs/dbraw/zinc/08/23/04/406082304.db2.gz OSVMTNWAQJEVEI-QGZVFWFLSA-N 0 0 315.421 2.496 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000566141201 406086598 /nfs/dbraw/zinc/08/65/98/406086598.db2.gz RPDVCRJIZTZYHU-XQLPTFJDSA-N 0 0 310.438 2.469 10 30 DEEERN C=CCn1c(CC(F)(F)F)nnc1N1C[C@@H]2C[C@H]1CS2 ZINC000566219597 406087337 /nfs/dbraw/zinc/08/73/37/406087337.db2.gz DNMDRGPYOIVEMB-IUCAKERBSA-N 0 0 304.341 2.263 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H]1CCO[C@H](C(C)C)C1 ZINC000636813061 406088925 /nfs/dbraw/zinc/08/89/25/406088925.db2.gz GBKGSWBJDFUFCQ-GJZGRUSLSA-N 0 0 324.465 2.415 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000636815656 406089760 /nfs/dbraw/zinc/08/97/60/406089760.db2.gz ILQJIDXPARDEPZ-CQSZACIVSA-N 0 0 322.449 2.313 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000566674763 406090465 /nfs/dbraw/zinc/09/04/65/406090465.db2.gz KXJOGBCAYMAMMY-JJXSEGSLSA-N 0 0 308.422 2.036 10 30 DEEERN C=CCCn1cc(C(=O)NC[C@@H]2CC23CCSCC3)nn1 ZINC000567494657 406096576 /nfs/dbraw/zinc/09/65/76/406096576.db2.gz VUANCDLJAFOHLC-LBPRGKRZSA-N 0 0 306.435 2.117 10 30 DEEERN C=CCN(CCc1ccco1)S(=O)(=O)CCOC(C)(C)C ZINC000632188513 406041065 /nfs/dbraw/zinc/04/10/65/406041065.db2.gz QXZTUFGHKZJCKO-UHFFFAOYSA-N 0 0 315.435 2.455 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCCc1ccc(C)nc1 ZINC000636648244 406041584 /nfs/dbraw/zinc/04/15/84/406041584.db2.gz XRADHRQHIPWFCU-UHFFFAOYSA-N 0 0 317.433 2.157 10 30 DEEERN C=CCCCCCNC(=O)N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000563373055 406060280 /nfs/dbraw/zinc/06/02/80/406060280.db2.gz HITFZJYYIJZXPQ-BZUAXINKSA-N 0 0 310.438 2.304 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N(C)C(C)(C)C)cc2C1=O ZINC000565012500 406068933 /nfs/dbraw/zinc/06/89/33/406068933.db2.gz QKISXJWFZDQHBE-UHFFFAOYSA-N 0 0 300.358 2.339 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1c(F)cccc1Cl ZINC000565345136 406071817 /nfs/dbraw/zinc/07/18/17/406071817.db2.gz UVYPGUVNAOLRJW-MNOVXSKESA-N 0 0 305.758 2.101 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000460054698 406075772 /nfs/dbraw/zinc/07/57/72/406075772.db2.gz DPBPQNGOUMXZAJ-HOCLYGCPSA-N 0 0 316.401 2.010 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C)c1cnc(C)s1 ZINC000637042790 406160039 /nfs/dbraw/zinc/16/00/39/406160039.db2.gz QPKOUQQCNKFGTE-SNVBAGLBSA-N 0 0 309.435 2.347 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N[C@H](c1ccccn1)C1CCC1 ZINC000637070010 406167427 /nfs/dbraw/zinc/16/74/27/406167427.db2.gz JWNLWSSVTXRZGR-INIZCTEOSA-N 0 0 315.417 2.464 10 30 DEEERN C=CCn1c(COC)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC000634341081 406107004 /nfs/dbraw/zinc/10/70/04/406107004.db2.gz KPAZATKHBVYNTB-SNVBAGLBSA-N 0 0 304.316 2.389 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)Cc1cccc(O)c1 ZINC000632396763 406120670 /nfs/dbraw/zinc/12/06/70/406120670.db2.gz YREJPMHDBITWNK-UHFFFAOYSA-N 0 0 318.417 2.459 10 30 DEEERN C=CC[C@@H](C(=O)NC1CN(c2ccncn2)C1)c1ccccc1 ZINC000634453492 406136277 /nfs/dbraw/zinc/13/62/77/406136277.db2.gz IJYHVMKETSLEOA-MRXNPFEDSA-N 0 0 308.385 2.141 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCSCC[C@@H]1C ZINC000632542938 406176606 /nfs/dbraw/zinc/17/66/06/406176606.db2.gz MVMDJTJDFIPIKL-ZDUSSCGKSA-N 0 0 312.479 2.449 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)Cc1ccc(C)cn1 ZINC000632560861 406182411 /nfs/dbraw/zinc/18/24/11/406182411.db2.gz BJSWBNHCGLYEKB-UHFFFAOYSA-N 0 0 317.433 2.457 10 30 DEEERN C=C(CNC(=O)N1CCO[C@](C)(COC)C1)c1ccccc1 ZINC000637147209 406190733 /nfs/dbraw/zinc/19/07/33/406190733.db2.gz GSVLGTQMOKJNFB-KRWDZBQOSA-N 0 0 304.390 2.147 10 30 DEEERN C=C(C)CS(=O)(=O)N[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000632611836 406199087 /nfs/dbraw/zinc/19/90/87/406199087.db2.gz UJAUIWFZVKYPED-CYBMUJFWSA-N 0 0 321.801 2.398 10 30 DEEERN N#Cc1ncn(CC(=O)N2CCCC[C@H]2c2ccc(F)cc2)n1 ZINC000519516935 406202915 /nfs/dbraw/zinc/20/29/15/406202915.db2.gz FENZPXYPJQPWBR-AWEZNQCLSA-N 0 0 313.336 2.043 10 30 DEEERN CC(=O)c1cc(F)ccc1OC[C@@H](O)CC1(C#N)CCOCC1 ZINC000634647155 406205399 /nfs/dbraw/zinc/20/53/99/406205399.db2.gz RTRMIFVGSLMWJL-AWEZNQCLSA-N 0 0 321.348 2.478 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCCC[C@H](COC)C1 ZINC000632626054 406205966 /nfs/dbraw/zinc/20/59/66/406205966.db2.gz BLWMFKDPFQETQH-HNNXBMFYSA-N 0 0 324.465 2.370 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@@H](C(C)C)C1 ZINC000568834660 406221860 /nfs/dbraw/zinc/22/18/60/406221860.db2.gz SHZRAMMGHUGNRC-CYBMUJFWSA-N 0 0 315.425 2.050 10 30 DEEERN C=CCCCCCNC(=O)N(C)[C@H](C)CS(=O)(=O)CC ZINC000519616746 406222386 /nfs/dbraw/zinc/22/23/86/406222386.db2.gz UWSPXNAOLBSUIW-CYBMUJFWSA-N 0 0 304.456 2.197 10 30 DEEERN C=C(C)CS(=O)(=O)N1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000632727535 406242208 /nfs/dbraw/zinc/24/22/08/406242208.db2.gz ATJPJYMFWPHUFE-CQSZACIVSA-N 0 0 317.414 2.325 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000637324654 406258668 /nfs/dbraw/zinc/25/86/68/406258668.db2.gz XMZONXXKSDDUNS-ZNMIVQPWSA-N 0 0 310.438 2.160 10 30 DEEERN C=CCCO[C@H](C)C(=O)Nc1cn(-c2cccc(OC)c2)nn1 ZINC000637311987 406252707 /nfs/dbraw/zinc/25/27/07/406252707.db2.gz MGBOZLBEVHTTEI-GFCCVEGCSA-N 0 0 316.361 2.196 10 30 DEEERN C=CCN(C(=O)NC[C@@H](n1cccn1)C(F)(F)F)C1CC1 ZINC000637334388 406263869 /nfs/dbraw/zinc/26/38/69/406263869.db2.gz QLJUXRMCUNBUIY-LLVKDONJSA-N 0 0 302.300 2.347 10 30 DEEERN C=CCn1c(=O)c2ccsc2nc1S[C@H]1CCCNC1=O ZINC000488021728 406286255 /nfs/dbraw/zinc/28/62/55/406286255.db2.gz FJEALEQAEWTANY-JTQLQIEISA-N 0 0 321.427 2.015 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000569917788 406319635 /nfs/dbraw/zinc/31/96/35/406319635.db2.gz HZVRSZRWIXTNEQ-CVEARBPZSA-N 0 0 309.369 2.351 10 30 DEEERN C=CCN(CC=C)C(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC000637495804 406329086 /nfs/dbraw/zinc/32/90/86/406329086.db2.gz QUKCTFMCMABRPE-UHFFFAOYSA-N 0 0 301.346 2.015 10 30 DEEERN C=CCCCCCNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000570105347 406347863 /nfs/dbraw/zinc/34/78/63/406347863.db2.gz YYYZFNWZAHKKJP-KBPBESRZSA-N 0 0 306.406 2.024 10 30 DEEERN CN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1nccs1 ZINC000540930246 406297007 /nfs/dbraw/zinc/29/70/07/406297007.db2.gz ZJTIVXFRSYAAOY-AWEZNQCLSA-N 0 0 309.391 2.368 10 30 DEEERN C=CC[C@H]1N(C(=O)NC[C@H]2COCCN2C)CCCC1(C)C ZINC000637442871 406309716 /nfs/dbraw/zinc/30/97/16/406309716.db2.gz URASQVOTRHDDDD-LSDHHAIUSA-N 0 0 309.454 2.093 10 30 DEEERN C=CC[C@H]1N(C(=O)NCc2nc(N(C)C)n[nH]2)CCCC1(C)C ZINC000637788042 406422467 /nfs/dbraw/zinc/42/24/67/406422467.db2.gz TZBNJNDBOGMBLH-GFCCVEGCSA-N 0 0 320.441 2.147 10 30 DEEERN C=C1CC(C)(C(=O)NCc2ccncc2OC[C@H]2CCOC2)C1 ZINC000633091091 406378197 /nfs/dbraw/zinc/37/81/97/406378197.db2.gz OSARVNYIGFJMLT-AWEZNQCLSA-N 0 0 316.401 2.469 10 30 DEEERN C=CCOCCCNC(=O)C(=O)Nc1cscc1Cl ZINC000635210830 406460921 /nfs/dbraw/zinc/46/09/21/406460921.db2.gz VVCNKVSLGLSPHM-UHFFFAOYSA-N 0 0 302.783 2.049 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)Cc1ccc(C)cc1F ZINC000571433959 406521677 /nfs/dbraw/zinc/52/16/77/406521677.db2.gz YOHUDGZRKLEVNS-WFASDCNBSA-N 0 0 313.394 2.145 10 30 DEEERN CC(=O)c1c[nH]c(C(=O)NCc2cc(F)c(C#N)c(F)c2)c1 ZINC000551952850 406659873 /nfs/dbraw/zinc/65/98/73/406659873.db2.gz RJNHSGPQZCMPQJ-UHFFFAOYSA-N 0 0 303.268 2.297 10 30 DEEERN C=CCc1cc(CNCc2cnn(CC)n2)cc(OC)c1O ZINC000527737041 406734679 /nfs/dbraw/zinc/73/46/79/406734679.db2.gz TVZBUSSKYUSXMZ-UHFFFAOYSA-N 0 0 302.378 2.031 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCOc2ccccc21 ZINC000573114245 406769583 /nfs/dbraw/zinc/76/95/83/406769583.db2.gz LBDUOYJLBBFFQQ-YCPHGPKFSA-N 0 0 316.401 2.443 10 30 DEEERN N#Cc1cccc(C2(NC(=O)c3cn4cccnc4n3)CC2)c1 ZINC000552813980 406722558 /nfs/dbraw/zinc/72/25/58/406722558.db2.gz SMBQFEMIQWZALO-UHFFFAOYSA-N 0 0 303.325 2.020 10 30 DEEERN C=CCCCNS(=O)(=O)c1ccc(OCCOC)c(C)c1 ZINC000573194054 406770921 /nfs/dbraw/zinc/77/09/21/406770921.db2.gz GNLZEPGBUWWEMX-UHFFFAOYSA-N 0 0 313.419 2.265 10 30 DEEERN C=CCCCCCNC(=O)c1nnn(Cc2cc(C)no2)c1C ZINC000574096667 406779674 /nfs/dbraw/zinc/77/96/74/406779674.db2.gz DLNJAELGCODYBC-UHFFFAOYSA-N 0 0 317.393 2.407 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccc2nc(C)cn2c1 ZINC000574581918 406783754 /nfs/dbraw/zinc/78/37/54/406783754.db2.gz BRSVMZITWPDNLN-UHFFFAOYSA-N 0 0 314.389 2.444 10 30 DEEERN CCOc1c(I)cc([N+](=O)[O-])cc1C#N ZINC000575670493 406817089 /nfs/dbraw/zinc/81/70/89/406817089.db2.gz JCTJMKAROZMXTD-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN CCOC(=O)Cc1ccc(C=O)c(C#N)c1OC(F)(F)F ZINC000575390864 406809086 /nfs/dbraw/zinc/80/90/86/406809086.db2.gz HKIJDZQRMKPXAA-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN CCOC(=O)Cc1c(C#N)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575388237 406809168 /nfs/dbraw/zinc/80/91/68/406809168.db2.gz PILADZOOGKZTLS-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN N#CCc1c(F)c([N+](=O)[O-])ccc1I ZINC000575707309 406821488 /nfs/dbraw/zinc/82/14/88/406821488.db2.gz VBNKQTVFTLKUSL-UHFFFAOYSA-N 0 0 306.034 2.405 10 30 DEEERN N#CCc1cc([N+](=O)[O-])c(F)cc1I ZINC000575707121 406821514 /nfs/dbraw/zinc/82/15/14/406821514.db2.gz LKHMITWTBHMSRP-UHFFFAOYSA-N 0 0 306.034 2.405 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cnn2c1C[C@H](C)CC2 ZINC000576825514 406833003 /nfs/dbraw/zinc/83/30/03/406833003.db2.gz LUHVNVYAYNTGIN-WWGRRREGSA-N 0 0 303.406 2.176 10 30 DEEERN CCOC(=O)[C@@](C)(C#N)c1ccccc1S(=O)(=O)C(F)F ZINC000128924875 196005047 /nfs/dbraw/zinc/00/50/47/196005047.db2.gz YXZJMLWKDZNLBU-ZDUSSCGKSA-N 0 0 317.313 2.027 10 30 DEEERN CSCC[C@@H](C)NC(=O)c1ccc(C#CCCO)c(F)c1 ZINC000132346987 196248512 /nfs/dbraw/zinc/24/85/12/196248512.db2.gz KEDZCILRGAZDOH-GFCCVEGCSA-N 0 0 309.406 2.431 10 30 DEEERN N#C[C@@H](NC(=O)[C@H]1COc2ccc(Br)cc21)C1CC1 ZINC000132560917 196265547 /nfs/dbraw/zinc/26/55/47/196265547.db2.gz OVPLOZRFCXALCX-NWDGAFQWSA-N 0 0 321.174 2.343 10 30 DEEERN CCc1nc(C(=O)Nc2ccc(Br)cc2C#N)n[nH]1 ZINC000132775381 196282166 /nfs/dbraw/zinc/28/21/66/196282166.db2.gz IJNKCBIMYMUESH-UHFFFAOYSA-N 0 0 320.150 2.254 10 30 DEEERN C#CCn1ncc(N[C@@H]2CC[C@H](C)C2)c(Br)c1=O ZINC000133263111 196325858 /nfs/dbraw/zinc/32/58/58/196325858.db2.gz NDDUCSPZYWOOQO-VHSXEESVSA-N 0 0 310.195 2.240 10 30 DEEERN C#CCC[C@@H](NN)c1ccc(I)cc1 ZINC000133755227 196333870 /nfs/dbraw/zinc/33/38/70/196333870.db2.gz XNNFRNMVRSTDKB-LLVKDONJSA-N 0 0 300.143 2.209 10 30 DEEERN Cc1cnn(CCNC(=O)Nc2ccccc2O[C@@H](C)C#N)c1 ZINC000180052272 224892452 /nfs/dbraw/zinc/89/24/52/224892452.db2.gz MJCRVMWKWMFIFB-ZDUSSCGKSA-N 0 0 313.361 2.304 10 30 DEEERN N#C[C@@H](NC(=O)CCOCC(F)(F)C(F)(F)F)C1CC1 ZINC000191525078 225111109 /nfs/dbraw/zinc/11/11/09/225111109.db2.gz PHADNFVWGPJAPC-MRVPVSSYSA-N 0 0 300.227 2.009 10 30 DEEERN COCCn1cc2c(n1)[C@H](NC(=O)[C@]1(C)CCCO1)CCC2 ZINC000329477580 225884249 /nfs/dbraw/zinc/88/42/49/225884249.db2.gz BZHWKZJJLPECOX-CJNGLKHVSA-N 0 0 307.394 2.433 10 30 DEEERN O=C(NCC1CCCC1)N1CCCN(c2cccnn2)CC1 ZINC000329845822 225936499 /nfs/dbraw/zinc/93/64/99/225936499.db2.gz OSTORBWZTWBIFL-UHFFFAOYSA-N 0 0 303.410 2.093 10 30 DEEERN C[C@H]1CCCc2nc(S(=O)(=O)N[C@H]3CC[C@@H](CC#N)C3)cn21 ZINC000333121124 226102015 /nfs/dbraw/zinc/10/20/15/226102015.db2.gz GNQXVCKTZQHQQR-AVGNSLFASA-N 0 0 322.434 2.141 10 30 DEEERN COCc1cccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 ZINC000369218726 227027252 /nfs/dbraw/zinc/02/72/52/227027252.db2.gz KUGRHHXUISVFCX-INIZCTEOSA-N 0 0 314.389 2.037 10 30 DEEERN C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N2CCOC[C@@H]2C#N)o1 ZINC000370065642 227043996 /nfs/dbraw/zinc/04/39/96/227043996.db2.gz NYJJGBJQLDNDGG-MBJXGIAVSA-N 0 0 300.358 2.257 10 30 DEEERN CCc1sc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1C ZINC000370974218 227061821 /nfs/dbraw/zinc/06/18/21/227061821.db2.gz SIFNHZMBCSPUDM-ZDUSSCGKSA-N 0 0 303.431 2.431 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cccc3cccnc32)CCN1C1CC1 ZINC000370983705 227062427 /nfs/dbraw/zinc/06/24/27/227062427.db2.gz BUYWFTNMNMNGJB-OAHLLOKOSA-N 0 0 306.369 2.047 10 30 DEEERN N#C[C@H]1CN(C(=O)[C@H](F)CC2CCCCC2)CCN1C1CC1 ZINC000373578071 227115033 /nfs/dbraw/zinc/11/50/33/227115033.db2.gz QOWZDAWRHYZYRM-JKSUJKDBSA-N 0 0 307.413 2.494 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291076596 222119674 /nfs/dbraw/zinc/11/96/74/222119674.db2.gz BOGIYRVIACTKKI-NRFANRHFSA-N 0 0 323.436 2.493 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1nnc(-c2ccsc2)s1 ZINC000184552922 335081014 /nfs/dbraw/zinc/08/10/14/335081014.db2.gz AAAJZCIWRWRWTM-SECBINFHSA-N 0 0 310.404 2.325 10 30 DEEERN N#CCC1(CNC(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)CC1 ZINC000375725924 227156576 /nfs/dbraw/zinc/15/65/76/227156576.db2.gz FWNRJTRASDNAJY-LBPRGKRZSA-N 0 0 315.377 2.140 10 30 DEEERN C[C@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@@H]1c1ccco1 ZINC000407954361 227225476 /nfs/dbraw/zinc/22/54/76/227225476.db2.gz GJMHEOSRONIBNC-CHWSQXEVSA-N 0 0 311.407 2.143 10 30 DEEERN N#CC1(C(=O)N2CCC(c3nccs3)CC2)CCOCC1 ZINC000408114404 227227678 /nfs/dbraw/zinc/22/76/78/227227678.db2.gz XTBBXOBPRVKJRX-UHFFFAOYSA-N 0 0 305.403 2.169 10 30 DEEERN N#CCC1(CS(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000408455774 227233727 /nfs/dbraw/zinc/23/37/27/227233727.db2.gz FAEVTFLBPZBLGB-JTQLQIEISA-N 0 0 310.341 2.284 10 30 DEEERN N#Cc1cc(N2CCN(c3cnccn3)CC2)c2ccccc2n1 ZINC000301327552 229629034 /nfs/dbraw/zinc/62/90/34/229629034.db2.gz BRBWOFXJWDDZAJ-UHFFFAOYSA-N 0 0 316.368 2.223 10 30 DEEERN N#Cc1cnc(NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cn1 ZINC000302568491 230300905 /nfs/dbraw/zinc/30/09/05/230300905.db2.gz XTAILICRLIDSLX-JOYOIKCWSA-N 0 0 300.284 2.244 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCCc3n[nH]cc3C2)s1 ZINC000622188118 422537764 /nfs/dbraw/zinc/53/77/64/422537764.db2.gz YDRGEDMWJZWAIV-UHFFFAOYSA-N 0 0 303.391 2.053 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)Nc1cc(OC)n(C)n1 ZINC000548166680 424869781 /nfs/dbraw/zinc/86/97/81/424869781.db2.gz GQJFGGAYWYENPV-UHFFFAOYSA-N 0 0 300.362 2.649 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNc1nnc(C2CCOCC2)s1 ZINC000555200172 424880252 /nfs/dbraw/zinc/88/02/52/424880252.db2.gz PWIUYLGDVBPEHD-QWHCGFSZSA-N 0 0 309.435 2.825 10 30 DEEERN Cc1scc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1C ZINC000539354768 424856444 /nfs/dbraw/zinc/85/64/44/424856444.db2.gz ZRSFLVOEUHJXIM-UHFFFAOYSA-N 0 0 317.418 2.247 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(-c2cccc(Cl)c2)on1 ZINC000365520713 424860871 /nfs/dbraw/zinc/86/08/71/424860871.db2.gz ZLBMWHMVWDMOOR-LBPRGKRZSA-N 0 0 321.764 3.054 10 30 DEEERN C=CCNc1ncc(C(=O)NC[C@H]2CC23CCSCC3)s1 ZINC000565593309 424905963 /nfs/dbraw/zinc/90/59/63/424905963.db2.gz QOEXTXJMJAQRKJ-LLVKDONJSA-N 0 0 323.487 3.004 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCC[C@@H](COC)CC2)s1 ZINC000412413739 424938896 /nfs/dbraw/zinc/93/88/96/424938896.db2.gz UFRQOUQGLINPLF-GFCCVEGCSA-N 0 0 309.435 2.630 10 30 DEEERN C=CCC1(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc32)CCOCC1 ZINC000593850773 425009303 /nfs/dbraw/zinc/00/93/03/425009303.db2.gz UWMWSMOKIZBSMP-UHFFFAOYSA-N 0 0 324.384 3.054 10 30 DEEERN C=CCCOCCNC(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1 ZINC000345182717 424995285 /nfs/dbraw/zinc/99/52/85/424995285.db2.gz UMLKAVYGCOWONL-ZDUSSCGKSA-N 0 0 306.410 2.877 10 30 DEEERN N#Cc1ccc(CNC(=O)Nc2cc3ccccn3n2)c(F)c1 ZINC000588320202 424995428 /nfs/dbraw/zinc/99/54/28/424995428.db2.gz MMNDVUGDNVGYJR-UHFFFAOYSA-N 0 0 309.304 2.667 10 30 DEEERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1ccc(C#N)cc1 ZINC000175727228 267145068 /nfs/dbraw/zinc/14/50/68/267145068.db2.gz DQMCBXZBAXPRSM-GFCCVEGCSA-N 0 0 302.374 2.289 10 30 DEEERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(F)cc2C#N)o1 ZINC000175942090 267443523 /nfs/dbraw/zinc/44/35/23/267443523.db2.gz ZIHSUIZJLXWWCY-JTQLQIEISA-N 0 0 315.304 2.415 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1COc2c(C)cccc2C1 ZINC000290758355 275740772 /nfs/dbraw/zinc/74/07/72/275740772.db2.gz QGKQGVDUGMGPQW-BZUAXINKSA-N 0 0 301.386 2.396 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000346208769 276868505 /nfs/dbraw/zinc/86/85/05/276868505.db2.gz GGGXZUOCEJSAJI-AVGNSLFASA-N 0 0 320.355 2.063 10 30 DEEERN C=C(C)[C@@H](CC(=O)NC(C)(C)c1nocc1C(=O)OC)OCC ZINC000425349087 277789373 /nfs/dbraw/zinc/78/93/73/277789373.db2.gz FBEXHVIHWSPPRB-GFCCVEGCSA-N 0 0 324.377 2.184 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(C(=O)OC)CCCCC1 ZINC000362724908 277793000 /nfs/dbraw/zinc/79/30/00/277793000.db2.gz ORYMJKYQZHSMTR-KBPBESRZSA-N 0 0 309.406 2.207 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)CCOCC1 ZINC000424737051 277824029 /nfs/dbraw/zinc/82/40/29/277824029.db2.gz NPISEHJQKUYGSJ-RYUDHWBXSA-N 0 0 321.339 2.274 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCOCC1 ZINC000424762388 277825622 /nfs/dbraw/zinc/82/56/22/277825622.db2.gz FUGWYSKVQKITIR-ZNMIVQPWSA-N 0 0 305.418 2.433 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000187140488 277833468 /nfs/dbraw/zinc/83/34/68/277833468.db2.gz RSOYQUQYCXMMTM-RBSFLKMASA-N 0 0 311.422 2.058 10 30 DEEERN C=CCN1CC[C@@H](NC2(c3noc(C4CC4)n3)CCCC2)C1=O ZINC000281391926 277859148 /nfs/dbraw/zinc/85/91/48/277859148.db2.gz ZOTGIXOUSIZZHT-CYBMUJFWSA-N 0 0 316.405 2.093 10 30 DEEERN C[C@@H]1CN(C(=O)c2cc(C#N)cn2C)[C@H](c2ccccc2)CO1 ZINC000081550688 288015054 /nfs/dbraw/zinc/01/50/54/288015054.db2.gz NBUPMMCBXOFCKQ-DYVFJYSZSA-N 0 0 309.369 2.499 10 30 DEEERN C[C@H](NC(=O)C#Cc1ccccc1)c1cn(-c2ccccc2)nn1 ZINC000128834000 279424687 /nfs/dbraw/zinc/42/46/87/279424687.db2.gz ZTXMVGOSBOSLOI-HNNXBMFYSA-N 0 0 316.364 2.496 10 30 DEEERN Cc1ccc2cc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)[nH]c2c1 ZINC000370967637 281139204 /nfs/dbraw/zinc/13/92/04/281139204.db2.gz HNAJOAFKWVQVHB-HNNXBMFYSA-N 0 0 308.385 2.289 10 30 DEEERN CC[C@H](C)[C@H](NC(=O)c1cc(C#N)cn1C)C(=O)OC(C)(C)C ZINC000128769321 281894349 /nfs/dbraw/zinc/89/43/49/281894349.db2.gz DONSBKOFDHDOHQ-FZMZJTMJSA-N 0 0 319.405 2.383 10 30 DEEERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)[C@@H]1CCCOC1 ZINC000329392374 289233287 /nfs/dbraw/zinc/23/32/87/289233287.db2.gz UDGQTXADXLJSHH-KLZNWCGWSA-N 0 0 310.438 2.343 10 30 DEEERN C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000374451932 289237948 /nfs/dbraw/zinc/23/79/48/289237948.db2.gz WZTCTBJUYMJSKM-CABCVRRESA-N 0 0 311.451 2.145 10 30 DEEERN C[C@H]1CC(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[C@H](C)C1 ZINC000364617495 290346081 /nfs/dbraw/zinc/34/60/81/290346081.db2.gz ZKCHGSDSJRJMHK-IOASZLSFSA-N 0 0 304.438 2.193 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(C(=O)C3(C#N)CCCCC3)[C@@H]2C1 ZINC000120052579 293793774 /nfs/dbraw/zinc/79/37/74/293793774.db2.gz JGUBFFJGHXUBOT-RBSFLKMASA-N 0 0 306.406 2.255 10 30 DEEERN Cc1sc(NC(=O)CN2CCOCC[C@@H]2C)c(C#N)c1C ZINC000378462820 294076274 /nfs/dbraw/zinc/07/62/74/294076274.db2.gz NZAAWEJGKHVRCP-JTQLQIEISA-N 0 0 307.419 2.286 10 30 DEEERN N#Cc1nccnc1N1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000361828222 295004048 /nfs/dbraw/zinc/00/40/48/295004048.db2.gz FPNSSYISRMUCOQ-MRXNPFEDSA-N 0 0 302.341 2.154 10 30 DEEERN O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000329680360 295383717 /nfs/dbraw/zinc/38/37/17/295383717.db2.gz WIMBPGGARUDWGF-HIFRSBDPSA-N 0 0 300.406 2.446 10 30 DEEERN O=C(N[C@@H]1CCc2[nH]cnc2C1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000329755748 295384061 /nfs/dbraw/zinc/38/40/61/295384061.db2.gz YFOPZGJPZRZVIE-DOMZBBRYSA-N 0 0 300.406 2.446 10 30 DEEERN O=C(N[C@@H]1CCc2[nH]cnc2C1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000329755749 295384085 /nfs/dbraw/zinc/38/40/85/295384085.db2.gz YFOPZGJPZRZVIE-IUODEOHRSA-N 0 0 300.406 2.446 10 30 DEEERN N#CCSCC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000174847620 303156653 /nfs/dbraw/zinc/15/66/53/303156653.db2.gz IOSDCPIECXNPCC-GJZGRUSLSA-N 0 0 304.415 2.358 10 30 DEEERN N#C[C@H](C(=O)Nc1nncs1)c1nccn1Cc1ccccc1 ZINC000179460470 331524469 /nfs/dbraw/zinc/52/44/69/331524469.db2.gz AQODAKITMQVNPU-LBPRGKRZSA-N 0 0 324.369 2.029 10 30 DEEERN CC(C)N(CCC#N)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000533557037 331582797 /nfs/dbraw/zinc/58/27/97/331582797.db2.gz WLFMDYQHVAZOBF-UHFFFAOYSA-N 0 0 311.363 2.049 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000557747182 331812994 /nfs/dbraw/zinc/81/29/94/331812994.db2.gz LKDWISMKXAAAIU-GFCCVEGCSA-N 0 0 300.362 2.134 10 30 DEEERN C=CCCCN(C)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531055231 332234212 /nfs/dbraw/zinc/23/42/12/332234212.db2.gz VSLFWNCSUVDJCF-GOSISDBHSA-N 0 0 302.418 2.048 10 30 DEEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCOCC1CCC1 ZINC000562279469 332567307 /nfs/dbraw/zinc/56/73/07/332567307.db2.gz VSTBKSHEWBVETM-KRWDZBQOSA-N 0 0 324.421 2.181 10 30 DEEERN C=CCCCN(C)C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000119359339 333343097 /nfs/dbraw/zinc/34/30/97/333343097.db2.gz VWFZTARMDNAMDJ-UHFFFAOYSA-N 0 0 305.353 2.394 10 30 DEEERN N#Cc1cccnc1N1CCN(CC#Cc2ccccc2)CC1 ZINC000038689841 333351931 /nfs/dbraw/zinc/35/19/31/333351931.db2.gz QIWFYSCKVHIFRC-UHFFFAOYSA-N 0 0 302.381 2.127 10 30 DEEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1cc2cccnc2c(OC)c1 ZINC000340033329 333777932 /nfs/dbraw/zinc/77/79/32/333777932.db2.gz SQCRNMJAYCLHTK-LLVKDONJSA-N 0 0 313.357 2.263 10 30 DEEERN C=CCn1c(N2CC[C@@H]3OCC[C@@H]3C2)nnc1[C@]1(C)CCCO1 ZINC000571561395 333816140 /nfs/dbraw/zinc/81/61/40/333816140.db2.gz OPSZIELTIVBFLY-KEYYUXOJSA-N 0 0 318.421 2.105 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC000519359701 335838556 /nfs/dbraw/zinc/83/85/56/335838556.db2.gz BXQQLFABLDITIF-QJPTWQEYSA-N 0 0 315.425 2.049 10 30 DEEERN CC#CCCNC(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC000352099242 336194871 /nfs/dbraw/zinc/19/48/71/336194871.db2.gz FUOTXPMYGVTHQK-UHFFFAOYSA-N 0 0 308.378 2.027 10 30 DEEERN C=CCCCN(C)C(=O)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC000583669175 336286292 /nfs/dbraw/zinc/28/62/92/336286292.db2.gz FFIHCXKWTRXXPA-SFHVURJKSA-N 0 0 300.402 2.259 10 30 DEEERN C#CCCCCC(=O)N1CCC(NC(=O)c2ccoc2)CC1 ZINC000360811505 336722882 /nfs/dbraw/zinc/72/28/82/336722882.db2.gz PJUYQLGCVZKDMF-UHFFFAOYSA-N 0 0 302.374 2.194 10 30 DEEERN CC#CCCNC(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000361341837 336752330 /nfs/dbraw/zinc/75/23/30/336752330.db2.gz RLMGMROERVTKON-UHFFFAOYSA-N 0 0 323.396 2.109 10 30 DEEERN C=C(C)COCCNC(=O)NC[C@H]1CSc2ccccc2O1 ZINC000582483426 337096918 /nfs/dbraw/zinc/09/69/18/337096918.db2.gz JAAYXSVCPMWEOW-ZDUSSCGKSA-N 0 0 322.430 2.432 10 30 DEEERN N#CCC1(O)CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000186798091 337259582 /nfs/dbraw/zinc/25/95/82/337259582.db2.gz YMTOKSMNMBSJGP-UHFFFAOYSA-N 0 0 300.289 2.186 10 30 DEEERN COC(=O)c1ccc(CC[C@H](CC(C#N)C#N)C(=O)OC)cc1 ZINC000584594505 337373833 /nfs/dbraw/zinc/37/38/33/337373833.db2.gz BRNMIFMFLAKKGO-OAHLLOKOSA-N 0 0 314.341 2.248 10 30 DEEERN C=CCCCS(=O)(=O)N1CCc2nc(C(C)C)ncc2C1 ZINC000527614701 337752150 /nfs/dbraw/zinc/75/21/50/337752150.db2.gz KNUYWSRQKOJVCJ-UHFFFAOYSA-N 0 0 309.435 2.254 10 30 DEEERN C=C(C)Cn1c(C2CCC2)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000516695257 340454083 /nfs/dbraw/zinc/45/40/83/340454083.db2.gz SIAYXYIOLMOHKY-OCCSQVGLSA-N 0 0 317.437 2.212 10 30 DEEERN C=CCn1cc(CNC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)nn1 ZINC000529501413 340758050 /nfs/dbraw/zinc/75/80/50/340758050.db2.gz GVGNLVMGCQHDBV-HOTGVXAUSA-N 0 0 314.364 2.413 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000530068475 340778839 /nfs/dbraw/zinc/77/88/39/340778839.db2.gz DWQGHXBOFHWFNK-ALLJEULLSA-N 0 0 319.426 2.377 10 30 DEEERN C=CCCOCCNC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000131635042 341104328 /nfs/dbraw/zinc/10/43/28/341104328.db2.gz GTAATASYPYYYRK-UHFFFAOYSA-N 0 0 302.378 2.263 10 30 DEEERN C=CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](C2CC2)C1 ZINC000548851160 341278072 /nfs/dbraw/zinc/27/80/72/341278072.db2.gz JGAPFWUGVNWKHZ-OAHLLOKOSA-N 0 0 311.389 2.141 10 30 DEEERN C=CCn1c(CC)nnc1N1CCC(c2ccnn2C)CC1 ZINC000548913160 341280696 /nfs/dbraw/zinc/28/06/96/341280696.db2.gz IYIPEWZSAALWBN-UHFFFAOYSA-N 0 0 300.410 2.144 10 30 DEEERN C[C@H](C#N)CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000248463669 341378503 /nfs/dbraw/zinc/37/85/03/341378503.db2.gz YZVROUDAEFRCJW-ONERCXAPSA-N 0 0 322.359 2.169 10 30 DEEERN C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H](CCC#N)c1ccccc1 ZINC000248987400 341391319 /nfs/dbraw/zinc/39/13/19/341391319.db2.gz WPNIBFYBOXFPQK-NWANDNLSSA-N 0 0 308.403 2.128 10 30 DEEERN C=C(C)COCCNC(=O)N[C@@H](c1ccccc1F)[C@H](C)O ZINC000565603489 341532473 /nfs/dbraw/zinc/53/24/73/341532473.db2.gz JYCSUVZVMOSPQB-SWLSCSKDSA-N 0 0 310.369 2.140 10 30 DEEERN C=CCC1(C(=O)NCc2ccc(O)c(OC)c2)CCOCC1 ZINC000578007466 341968992 /nfs/dbraw/zinc/96/89/92/341968992.db2.gz RKGHDZTZMZBTRE-UHFFFAOYSA-N 0 0 305.374 2.390 10 30 DEEERN C=CCn1c(N(C)CC(F)(F)F)nnc1[C@@]1(C)CCCO1 ZINC000453441952 534442838 /nfs/dbraw/zinc/44/28/38/534442838.db2.gz OZVFISOIWIOJEV-GFCCVEGCSA-N 0 0 304.316 2.488 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1CC(=O)OCC ZINC000449866785 534582893 /nfs/dbraw/zinc/58/28/93/534582893.db2.gz YWHBBYKPIFMPHK-HIFRSBDPSA-N 0 0 303.358 2.322 10 30 DEEERN Cc1nc([C@H]2CCCN2CC(=O)N[C@](C)(C#N)C2CC2)cs1 ZINC000249491846 534608177 /nfs/dbraw/zinc/60/81/77/534608177.db2.gz YPLRARLGKUQYBX-GDBMZVCRSA-N 0 0 318.446 2.397 10 30 DEEERN N#CCCCS(=O)(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189369618 534618142 /nfs/dbraw/zinc/61/81/42/534618142.db2.gz WFDOCHNDQUYMDP-UHFFFAOYSA-N 0 0 320.414 2.188 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000456777616 534787947 /nfs/dbraw/zinc/78/79/47/534787947.db2.gz NHKLEFSWBQSROW-RDJZCZTQSA-N 0 0 316.401 2.405 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000456753546 534790428 /nfs/dbraw/zinc/79/04/28/534790428.db2.gz AGCKVWBIFAFEKY-LBPRGKRZSA-N 0 0 320.364 2.009 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CCc3cc[nH]c(=O)c3C2)cc1 ZINC000451175082 534881059 /nfs/dbraw/zinc/88/10/59/534881059.db2.gz HMDRNQPVPHZCMO-UHFFFAOYSA-N 0 0 324.380 2.479 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1c[nH]cn1 ZINC000192973227 526346921 /nfs/dbraw/zinc/34/69/21/526346921.db2.gz MZQHZFWBKKPYNZ-UHFFFAOYSA-N 0 0 314.345 2.465 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)NC1CCC(C(N)=O)CC1 ZINC000356104232 526371151 /nfs/dbraw/zinc/37/11/51/526371151.db2.gz WHJGZIVOENYFJJ-UHFFFAOYSA-N 0 0 321.446 2.490 10 30 DEEERN C=CCN1CC(=O)N([C@H](c2ccccc2)[C@H]2CCOC2)C1=O ZINC000372952286 526414229 /nfs/dbraw/zinc/41/42/29/526414229.db2.gz GWFAGNAZCXURNE-GOEBONIOSA-N 0 0 300.358 2.214 10 30 DEEERN C=CCN1CC[C@H](N(C)CC(=O)c2c[nH]c3ccccc32)C1=O ZINC000281498584 526499310 /nfs/dbraw/zinc/49/93/10/526499310.db2.gz XXRRFXVCKNZOKH-INIZCTEOSA-N 0 0 311.385 2.069 10 30 DEEERN C=C(C)CN(C)c1nnc(-c2cccn2C)n1C[C@H]1CCCO1 ZINC000339001201 526508594 /nfs/dbraw/zinc/50/85/94/526508594.db2.gz OAMWOTSETRTEPN-CQSZACIVSA-N 0 0 315.421 2.475 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccnc(C#N)c1 ZINC000342390745 526558437 /nfs/dbraw/zinc/55/84/37/526558437.db2.gz DQZCRBKXIZCREX-UHFFFAOYSA-N 0 0 311.341 2.257 10 30 DEEERN C=CCNC(=O)N1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000355948124 526584342 /nfs/dbraw/zinc/58/43/42/526584342.db2.gz IERDUCKLNVMUPC-UHFFFAOYSA-N 0 0 319.386 2.148 10 30 DEEERN C=CCNC(=O)[C@H](C)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000246514633 526635353 /nfs/dbraw/zinc/63/53/53/526635353.db2.gz BMMVZNTXCQKVNS-XEZPLFJOSA-N 0 0 306.381 2.278 10 30 DEEERN C=C(C)COc1cc(CN2C[C@@H]3COC[C@H](C2)O3)ccc1OC ZINC000338969350 526661313 /nfs/dbraw/zinc/66/13/13/526661313.db2.gz XVLJILGQACOAFC-IYBDPMFKSA-N 0 0 319.401 2.250 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000287935133 526669938 /nfs/dbraw/zinc/66/99/38/526669938.db2.gz WUWWCPJOJGAZOJ-SFHVURJKSA-N 0 0 317.429 2.226 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccc(C)cc1OCCOC ZINC000287721559 526673335 /nfs/dbraw/zinc/67/33/35/526673335.db2.gz LKXJBUDJSIPNBS-UHFFFAOYSA-N 0 0 313.397 2.299 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000376900950 526674627 /nfs/dbraw/zinc/67/46/27/526674627.db2.gz BIUBIBPHOLUKEQ-CQSZACIVSA-N 0 0 315.804 2.093 10 30 DEEERN C#CCC1(C(=O)N2CCO[C@@]3(CCCOC3)C2)CCCCC1 ZINC000376024012 526675474 /nfs/dbraw/zinc/67/54/74/526675474.db2.gz AHXZRVUZLPMKDF-SFHVURJKSA-N 0 0 305.418 2.368 10 30 DEEERN C=C(C)Cn1c(COCC)nnc1N1CCO[C@H](C2CC2)C1 ZINC000338806180 526731524 /nfs/dbraw/zinc/73/15/24/526731524.db2.gz WDGQTZPUCZNZSC-AWEZNQCLSA-N 0 0 306.410 2.006 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)C[C@@H](C)CC ZINC000283254493 526737370 /nfs/dbraw/zinc/73/73/70/526737370.db2.gz LSSRSJAQGWZNCL-KBPBESRZSA-N 0 0 308.426 2.424 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000331794396 526799562 /nfs/dbraw/zinc/79/95/62/526799562.db2.gz QQLRSDIPQYSRHP-QEORTHHSSA-N 0 0 314.385 2.210 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCC[C@@H]1C(=O)N(CC)CC)OCC ZINC000339364519 526806837 /nfs/dbraw/zinc/80/68/37/526806837.db2.gz VHHSSKZIRLBNON-CABCVRRESA-N 0 0 310.438 2.217 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@]12CCOC2 ZINC000422066461 526826492 /nfs/dbraw/zinc/82/64/92/526826492.db2.gz HUENHQKRCRIFMG-KRWDZBQOSA-N 0 0 303.358 2.265 10 30 DEEERN C=C(CC)CNC(=O)C(=O)Nc1cccc(Cl)c1C(=O)OC ZINC000411583335 526855713 /nfs/dbraw/zinc/85/57/13/526855713.db2.gz BZXKWPCMSQAIGR-UHFFFAOYSA-N 0 0 324.764 2.148 10 30 DEEERN C=C(Cl)CNC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000370503235 526888814 /nfs/dbraw/zinc/88/88/14/526888814.db2.gz QEQUJYMLDXFSQH-NSHDSACASA-N 0 0 305.769 2.380 10 30 DEEERN C=CCOc1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172362107 526925197 /nfs/dbraw/zinc/92/51/97/526925197.db2.gz DDBOSEZSARUCSA-VMZNBEPHSA-N 0 0 301.386 2.484 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000362888550 526940410 /nfs/dbraw/zinc/94/04/10/526940410.db2.gz KBTCFLRZRAWWHP-GASCZTMLSA-N 0 0 302.374 2.324 10 30 DEEERN C=CCOc1cccnc1C(=O)NCCc1cnc(C2CC2)nc1 ZINC000341538955 526961072 /nfs/dbraw/zinc/96/10/72/526961072.db2.gz YCHJSYRSOQGHOD-UHFFFAOYSA-N 0 0 324.384 2.286 10 30 DEEERN C=CCC1(C(=O)N2C[C@H](OC)C[C@H]2CC(=O)OCC)CCC1 ZINC000372785456 527050136 /nfs/dbraw/zinc/05/01/36/527050136.db2.gz QIIOBBGKMDAERY-UONOGXRCSA-N 0 0 309.406 2.302 10 30 DEEERN C=CCC1(c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)CCOCC1 ZINC000333570141 527065313 /nfs/dbraw/zinc/06/53/13/527065313.db2.gz MISYWPOJTWHYMK-KBPBESRZSA-N 0 0 319.405 2.230 10 30 DEEERN C=CCCC(=O)N1CCCN(C(=O)COc2ccccc2)CC1 ZINC000371521821 527069241 /nfs/dbraw/zinc/06/92/41/527069241.db2.gz KPTBENPRMCOJEZ-UHFFFAOYSA-N 0 0 316.401 2.093 10 30 DEEERN C#CCO[C@H](C)C(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000295098443 527080194 /nfs/dbraw/zinc/08/01/94/527080194.db2.gz XAMDZJBTZWQTDB-ZENOOKHLSA-N 0 0 305.349 2.152 10 30 DEEERN C=CCCCC(=O)N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC000370065233 527101824 /nfs/dbraw/zinc/10/18/24/527101824.db2.gz MUVDQCGGMFHVOC-UHFFFAOYSA-N 0 0 305.378 2.060 10 30 DEEERN C#CCSCCNC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000120075184 527142213 /nfs/dbraw/zinc/14/22/13/527142213.db2.gz ANXHUJWOPMJVQO-AWEZNQCLSA-N 0 0 308.403 2.037 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1C[C@H](OC)C[C@@H]1CC(=O)OCC ZINC000341442932 527151847 /nfs/dbraw/zinc/15/18/47/527151847.db2.gz ZBYOOZOQIPLRJH-BFHYXJOUSA-N 0 0 312.410 2.093 10 30 DEEERN C=CCCCCNC(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC000417490471 527161652 /nfs/dbraw/zinc/16/16/52/527161652.db2.gz RKHXOXVFORIIHJ-OAHLLOKOSA-N 0 0 303.362 2.389 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@]1(O)CCC[C@@H]1C ZINC000298123156 527172772 /nfs/dbraw/zinc/17/27/72/527172772.db2.gz YGCTUDIYKRSMGA-WDYCEAGBSA-N 0 0 314.429 2.471 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000188769938 527181764 /nfs/dbraw/zinc/18/17/64/527181764.db2.gz VIWURKCWZCHTPS-LBPRGKRZSA-N 0 0 304.394 2.217 10 30 DEEERN CC(=O)c1cc(C#N)ccc1NC(=O)C1(CF)CCOCC1 ZINC000411060649 527183980 /nfs/dbraw/zinc/18/39/80/527183980.db2.gz XUPKHTONNUBLCD-UHFFFAOYSA-N 0 0 304.321 2.466 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H]1CCCCN1S(=O)(=O)CCC ZINC000346795645 527188015 /nfs/dbraw/zinc/18/80/15/527188015.db2.gz MJXLPFACEGLKOE-AWEZNQCLSA-N 0 0 316.467 2.005 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccc(OC(F)F)c(F)c1 ZINC000296812038 527197324 /nfs/dbraw/zinc/19/73/24/527197324.db2.gz ITGKIBJXUPNEHS-SNVBAGLBSA-N 0 0 318.295 2.163 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000183466511 527201679 /nfs/dbraw/zinc/20/16/79/527201679.db2.gz RZSUDFCIMPMDRO-MFKMUULPSA-N 0 0 310.781 2.400 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(Br)c(F)cc1F ZINC000192210075 527206616 /nfs/dbraw/zinc/20/66/16/527206616.db2.gz MQXFXORVSMRMHZ-SSDOTTSWSA-N 0 0 320.133 2.394 10 30 DEEERN C=CCCCNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000344512786 527224270 /nfs/dbraw/zinc/22/42/70/527224270.db2.gz KRWQHLZMFQCWOE-AWEZNQCLSA-N 0 0 306.431 2.364 10 30 DEEERN C#C[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC(C)C ZINC000364378238 527224661 /nfs/dbraw/zinc/22/46/61/527224661.db2.gz AQCPKLJEBPYJJT-PBHICJAKSA-N 0 0 312.413 2.124 10 30 DEEERN C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1)C(C)C ZINC000282153077 527280228 /nfs/dbraw/zinc/28/02/28/527280228.db2.gz HVWRMKAVUHHSRV-XJKSGUPXSA-N 0 0 311.389 2.285 10 30 DEEERN C=CCCOCCCCC(=O)N[C@H]1CCCCC[C@@H]1C(N)=O ZINC000342964506 527336615 /nfs/dbraw/zinc/33/66/15/527336615.db2.gz FXXHYRWCHQJKPD-GJZGRUSLSA-N 0 0 310.438 2.300 10 30 DEEERN C=CCCOCCNC(=O)C(=O)N(C)[C@H](C)c1ccccc1C ZINC000342015091 527338945 /nfs/dbraw/zinc/33/89/45/527338945.db2.gz DPOPYXIDOYUVPT-OAHLLOKOSA-N 0 0 318.417 2.223 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N(CCOC)[C@@H]1CCOC1 ZINC000350650922 527355985 /nfs/dbraw/zinc/35/59/85/527355985.db2.gz ATHAKAYYCQVFBL-ZIAGYGMSSA-N 0 0 308.426 2.219 10 30 DEEERN C=CCCO[C@@H](C)C(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000368731049 527386118 /nfs/dbraw/zinc/38/61/18/527386118.db2.gz BINNZQCNMIIHCD-VIFPVBQESA-N 0 0 307.379 2.156 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CC[C@@H](O)CC(C)(C)C2)cc1 ZINC000297473748 527435325 /nfs/dbraw/zinc/43/53/25/527435325.db2.gz DGOXPNSTBOLKKY-MRXNPFEDSA-N 0 0 300.402 2.360 10 30 DEEERN C=CCC[C@@H](NC(=O)N1CC[C@@H](C(=O)NC)C1)c1ccccc1 ZINC000420815724 527439316 /nfs/dbraw/zinc/43/93/16/527439316.db2.gz JSIPPRNJQMLAAG-HZPDHXFCSA-N 0 0 315.417 2.471 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)N[C@H](C)C2CCCC2)c1 ZINC000172193248 527452238 /nfs/dbraw/zinc/45/22/38/527452238.db2.gz LSHWTCAOFYECJV-CYBMUJFWSA-N 0 0 313.401 2.484 10 30 DEEERN C#Cc1ccccc1CC(=O)N1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000368108947 527462235 /nfs/dbraw/zinc/46/22/35/527462235.db2.gz LTRSBELRLCTZOI-HKUYNNGSSA-N 0 0 313.397 2.007 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](CO)C1CCCCC1 ZINC000425877386 527496168 /nfs/dbraw/zinc/49/61/68/527496168.db2.gz PCXXUOLJKXJROC-JYJNAYRXSA-N 0 0 310.438 2.066 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCOc1ccccc1C ZINC000425409824 527496248 /nfs/dbraw/zinc/49/62/48/527496248.db2.gz AAMKEDVJHBXHFS-GJZGRUSLSA-N 0 0 304.390 2.264 10 30 DEEERN C=CCC[C@H]1NC(=O)N(c2ccc(F)c(C(=O)OC)c2C)C1=O ZINC000414363880 527497042 /nfs/dbraw/zinc/49/70/42/527497042.db2.gz YYBBUHYDNTWPMV-LLVKDONJSA-N 0 0 320.320 2.312 10 30 DEEERN C=CCCn1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)nn1 ZINC000424556433 527527486 /nfs/dbraw/zinc/52/74/86/527527486.db2.gz HGMPRTBIRDFWFJ-LLVKDONJSA-N 0 0 314.345 2.074 10 30 DEEERN C=C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000354273571 527554647 /nfs/dbraw/zinc/55/46/47/527554647.db2.gz SHNNDPIGISCRNG-JTQLQIEISA-N 0 0 316.357 2.060 10 30 DEEERN CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@]12CCCO2 ZINC000333212449 527821680 /nfs/dbraw/zinc/82/16/80/527821680.db2.gz KGZZBHXVBNHXAR-DEQQHWRFSA-N 0 0 321.421 2.095 10 30 DEEERN CC(C)c1cnc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 ZINC000377276855 528222218 /nfs/dbraw/zinc/22/22/18/528222218.db2.gz IVOUWCVUABTYDH-LBPRGKRZSA-N 0 0 319.434 2.471 10 30 DEEERN CCN(CC)c1ncc(CN2CCN(C3CC3)[C@H](C#N)C2)s1 ZINC000371326619 528316552 /nfs/dbraw/zinc/31/65/52/528316552.db2.gz JNOWTEQHOSLDHV-CQSZACIVSA-N 0 0 319.478 2.161 10 30 DEEERN CC(C)c1ncsc1NC(=O)C(=O)N1CCC(C)(C#N)CC1 ZINC000453690751 534926663 /nfs/dbraw/zinc/92/66/63/534926663.db2.gz BKRPDHULGYCRGO-UHFFFAOYSA-N 0 0 320.418 2.357 10 30 DEEERN CCN(Cc1ccccc1)S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000309982029 535788570 /nfs/dbraw/zinc/78/85/70/535788570.db2.gz VLLPPYNJZPEOLI-UHFFFAOYSA-N 0 0 315.398 2.473 10 30 DEEERN CC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(F)F ZINC000452268611 535798486 /nfs/dbraw/zinc/79/84/86/535798486.db2.gz YEYLHYHNIKCQSW-YMTOWFKASA-N 0 0 304.337 2.408 10 30 DEEERN CC[C@@H]1C[C@@H](C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CCO1 ZINC000130347819 535855568 /nfs/dbraw/zinc/85/55/68/535855568.db2.gz RSYRFXGJZZFUAF-LSDHHAIUSA-N 0 0 314.385 2.353 10 30 DEEERN C#CCSCCNS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000121407945 649925240 /nfs/dbraw/zinc/92/52/40/649925240.db2.gz IYVPOSIZCDKGCP-UHFFFAOYSA-N 0 0 321.826 2.432 10 30 DEEERN C#CC[C@@H](OC(=O)CSc1nnnn1C1CC1)C(C)(C)C ZINC000159893994 625375908 /nfs/dbraw/zinc/37/59/08/625375908.db2.gz RSUKSIGOHGVOMU-LLVKDONJSA-N 0 0 308.407 2.081 10 30 DEEERN N#C[C@H](OC(=O)c1ccnc(OCC(F)(F)F)c1)C1CC1 ZINC000177030673 625609078 /nfs/dbraw/zinc/60/90/78/625609078.db2.gz LDQNNNWNYQJXHI-JTQLQIEISA-N 0 0 300.236 2.482 10 30 DEEERN C#CC[C@H](Cc1ccccc1)Nc1nnnn1-c1ccccc1 ZINC000804808711 623249816 /nfs/dbraw/zinc/24/98/16/623249816.db2.gz WJJUTQJUVVMBOB-MRXNPFEDSA-N 0 0 303.369 2.131 10 30 DEEERN O=C(NCc1nc2c(s1)CCCC2)[C@H]1CCc2n[nH]nc2C1 ZINC000328922442 625150662 /nfs/dbraw/zinc/15/06/62/625150662.db2.gz CMSXOVXGCNPNQL-VIFPVBQESA-N 0 0 317.418 2.402 10 30 DEEERN C#CCCCCC(=O)OCCn1cnc2ccsc2c1=O ZINC000180758822 625223122 /nfs/dbraw/zinc/22/31/22/625223122.db2.gz UONYDCCKSCLFFZ-UHFFFAOYSA-N 0 0 304.371 2.195 10 30 DEEERN Cc1c(C(=O)N[C@@H](C#N)C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000161903296 625240561 /nfs/dbraw/zinc/24/05/61/625240561.db2.gz SNRJJTDRARVGFY-NSHDSACASA-N 0 0 318.289 2.152 10 30 DEEERN C=CCCO[C@H](C)C(=O)NC1CCN(C(=O)OC(C)C)CC1 ZINC000112600365 633256098 /nfs/dbraw/zinc/25/60/98/633256098.db2.gz UTWRYEWABDSCEQ-CYBMUJFWSA-N 0 0 312.410 2.093 10 30 DEEERN C#CCCNC(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1 ZINC000733656404 633260131 /nfs/dbraw/zinc/26/01/31/633260131.db2.gz KPTKOMLBADUHSY-CQSZACIVSA-N 0 0 315.373 2.199 10 30 DEEERN C=C(CN1C(=O)[C@H](C)N(c2ccc(F)cc2)C1=O)C(=O)OCC ZINC000733871908 633292163 /nfs/dbraw/zinc/29/21/63/633292163.db2.gz YGEUCNHHCCNUKK-NSHDSACASA-N 0 0 320.320 2.102 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1nonc1C ZINC000733927588 633301736 /nfs/dbraw/zinc/30/17/36/633301736.db2.gz RYSLXFZBAULCHC-UHFFFAOYSA-N 0 0 302.290 2.115 10 30 DEEERN C=C(COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC000734025043 633317681 /nfs/dbraw/zinc/31/76/81/633317681.db2.gz YBTSJBKFILZCEV-TWGQIWQCSA-N 0 0 305.286 2.271 10 30 DEEERN C#CC[C@@H](OC(=O)CCCn1ccccc1=O)c1ccccn1 ZINC000735210578 633490921 /nfs/dbraw/zinc/49/09/21/633490921.db2.gz AOQXNPGLSDIVBV-MRXNPFEDSA-N 0 0 310.353 2.331 10 30 DEEERN Cn1nccc1C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735347646 633504068 /nfs/dbraw/zinc/50/40/68/633504068.db2.gz ZMSDOLLGYSQNPU-UHFFFAOYSA-N 0 0 305.721 2.333 10 30 DEEERN COCCCNC(=O)[C@H](C#N)C(=O)CCCc1ccc(C)cc1 ZINC000125153578 633513898 /nfs/dbraw/zinc/51/38/98/633513898.db2.gz ZCSIJWUCHOQWCS-MRXNPFEDSA-N 0 0 316.401 2.179 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000154953716 636484266 /nfs/dbraw/zinc/48/42/66/636484266.db2.gz IMJVMJWYQGFYJP-UHFFFAOYSA-N 0 0 306.318 2.095 10 30 DEEERN C=C(COC(=O)c1c(F)ccc(OCC)c1N)C(=O)OCC ZINC000741039494 637935948 /nfs/dbraw/zinc/93/59/48/637935948.db2.gz ILZRAJAJSIYRAS-UHFFFAOYSA-N 0 0 311.309 2.083 10 30 DEEERN N#CCn1cc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cn1 ZINC000741679185 638001900 /nfs/dbraw/zinc/00/19/00/638001900.db2.gz MKCFUTRPODQGEQ-DGCLKSJQSA-N 0 0 302.284 2.427 10 30 DEEERN C#CCNC(=O)C1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000742398580 638068225 /nfs/dbraw/zinc/06/82/25/638068225.db2.gz UIGMSESUMJDPNQ-UHFFFAOYSA-N 0 0 318.380 2.072 10 30 DEEERN C[C@@H]1CCCC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1C#N ZINC000742397270 638068474 /nfs/dbraw/zinc/06/84/74/638068474.db2.gz OBHNEHDSLVLNJI-VXGBXAGGSA-N 0 0 307.419 2.444 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(=O)n(C)c1 ZINC000743119384 638118840 /nfs/dbraw/zinc/11/88/40/638118840.db2.gz HSUGHWCVGKVRHV-UHFFFAOYSA-N 0 0 315.304 2.180 10 30 DEEERN C#C[C@H](C)OC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000744181416 638198798 /nfs/dbraw/zinc/19/87/98/638198798.db2.gz OVRNHOYMYDYOIO-DZGCQCFKSA-N 0 0 317.360 2.172 10 30 DEEERN C=CCOC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O ZINC000744474757 638224071 /nfs/dbraw/zinc/22/40/71/638224071.db2.gz WOXPNSLJXOXLAR-UHFFFAOYSA-N 0 0 307.305 2.387 10 30 DEEERN C#CCNC(=O)[C@@H](C)OC(=O)c1sc(C2CCCC2)nc1C ZINC000745606480 638277276 /nfs/dbraw/zinc/27/72/76/638277276.db2.gz HEGFOVCEYTUTMS-LLVKDONJSA-N 0 0 320.414 2.404 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000746796480 638378708 /nfs/dbraw/zinc/37/87/08/638378708.db2.gz NLHALWFVHCPRPK-UHFFFAOYSA-N 0 0 316.360 2.164 10 30 DEEERN COc1ccc(CNC(=O)c2ccc(NC=O)cc2)cc1C#N ZINC000747445793 638438964 /nfs/dbraw/zinc/43/89/64/638438964.db2.gz YAHVTQWMOSNJIH-UHFFFAOYSA-N 0 0 309.325 2.065 10 30 DEEERN N#Cc1ccc(NC(=O)COC(=O)Cc2cccc(C#N)c2)cc1 ZINC000750431233 638743681 /nfs/dbraw/zinc/74/36/81/638743681.db2.gz QQFRLQDMQFBBKT-UHFFFAOYSA-N 0 0 319.320 2.154 10 30 DEEERN C/C(=C\c1ccc(F)cc1)C(=O)OCCn1ncc(C#N)c1N ZINC000750704168 639017291 /nfs/dbraw/zinc/01/72/91/639017291.db2.gz ZZEKGWRLRUXVKP-DHZHZOJOSA-N 0 0 314.320 2.123 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=O)CCOCC1CC1 ZINC000751224997 639066499 /nfs/dbraw/zinc/06/64/99/639066499.db2.gz PAGKQUYILQTAMW-UHFFFAOYSA-N 0 0 302.374 2.358 10 30 DEEERN C#CCN(CC#C)CC(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000752302457 639171651 /nfs/dbraw/zinc/17/16/51/639171651.db2.gz LFZMYVXYKGIJCI-UHFFFAOYSA-N 0 0 310.441 2.211 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000752355332 639174682 /nfs/dbraw/zinc/17/46/82/639174682.db2.gz QJNUHBNPZNEWRN-WEHUKYGOSA-N 0 0 318.329 2.232 10 30 DEEERN C#CCSCCNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000752437019 639184061 /nfs/dbraw/zinc/18/40/61/639184061.db2.gz GOUCHYJPVIMKNU-QXMHVHEDSA-N 0 0 304.371 2.481 10 30 DEEERN C#CCSCCNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000752437020 639184551 /nfs/dbraw/zinc/18/45/51/639184551.db2.gz GOUCHYJPVIMKNU-VAWYXSNFSA-N 0 0 304.371 2.481 10 30 DEEERN C#CCOCCNC(=O)Nc1ccccc1C(=O)OC(C)(C)C ZINC000752775939 639219122 /nfs/dbraw/zinc/21/91/22/639219122.db2.gz IXLLBXRTCCAAKF-UHFFFAOYSA-N 0 0 318.373 2.413 10 30 DEEERN C=CCCCCCCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000805104193 639710151 /nfs/dbraw/zinc/71/01/51/639710151.db2.gz MMMHDRGFKDBPQB-KBPBESRZSA-N 0 0 304.456 2.067 10 30 DEEERN C#CCCNC(=O)N1CCC([C@@H](O)c2ccccc2C)CC1 ZINC000805113558 639757043 /nfs/dbraw/zinc/75/70/43/639757043.db2.gz XPLIQNBCEFAGAK-QGZVFWFLSA-N 0 0 300.402 2.473 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(C)(C)C ZINC000805146470 639839591 /nfs/dbraw/zinc/83/95/91/639839591.db2.gz HMEQWLVVHBGNQP-LBPRGKRZSA-N 0 0 310.375 2.229 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(C)(C)C ZINC000805146469 639839659 /nfs/dbraw/zinc/83/96/59/639839659.db2.gz HMEQWLVVHBGNQP-GFCCVEGCSA-N 0 0 310.375 2.229 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000805147318 639841409 /nfs/dbraw/zinc/84/14/09/639841409.db2.gz IVXDJMMQUGMBPW-GFCCVEGCSA-N 0 0 314.338 2.060 10 30 DEEERN C=CCNC(=O)COC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000729138266 640064638 /nfs/dbraw/zinc/06/46/38/640064638.db2.gz TYSNWWGRJRXIFQ-UHFFFAOYSA-N 0 0 302.305 2.075 10 30 DEEERN Cc1ccc(NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)nc1C#N ZINC000263544505 640297411 /nfs/dbraw/zinc/29/74/11/640297411.db2.gz GBINDFGUCCBRSG-UHFFFAOYSA-N 0 0 314.389 2.001 10 30 DEEERN CC(C)[C@H](OC(=O)/C=C/c1ccccc1C#N)C(=O)N(C)C ZINC000729703173 640830504 /nfs/dbraw/zinc/83/05/04/640830504.db2.gz HNXZNGSZQOPULN-SCOAYWHSSA-N 0 0 300.358 2.227 10 30 DEEERN C=CCN(C(=O)C(=O)NCCc1cccc(OCC)c1)C(C)C ZINC000805690907 642769800 /nfs/dbraw/zinc/76/98/00/642769800.db2.gz QIMHCKHCOGKDMW-UHFFFAOYSA-N 0 0 318.417 2.167 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)OC(=O)COc1ccsc1 ZINC000800303564 645254413 /nfs/dbraw/zinc/25/44/13/645254413.db2.gz GRAXPKDRAKTKMK-LBPRGKRZSA-N 0 0 309.387 2.259 10 30 DEEERN C#C[C@H](C)NC(=O)Cc1c(F)ccc(Br)c1F ZINC000800539775 645285953 /nfs/dbraw/zinc/28/59/53/645285953.db2.gz MIOHEEIFRUTARC-ZETCQYMHSA-N 0 0 302.118 2.408 10 30 DEEERN C#Cc1ccc(C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)cn1 ZINC000801131347 645344109 /nfs/dbraw/zinc/34/41/09/645344109.db2.gz ASZVUJSNKYXQGC-HXUWFJFHSA-N 0 0 320.392 2.229 10 30 DEEERN COc1ccc(C(=O)C[C@@H](C)C(=O)OCCO[C@H](C)C#N)cc1 ZINC000801862110 645453173 /nfs/dbraw/zinc/45/31/73/645453173.db2.gz OXJOQRQILMACFK-CHWSQXEVSA-N 0 0 319.357 2.376 10 30 DEEERN C#CCCCCCC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000802240529 645507233 /nfs/dbraw/zinc/50/72/33/645507233.db2.gz SRJMJELUNRNMOO-WBVHZDCISA-N 0 0 307.434 2.254 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)nnn2C ZINC000803522694 645667700 /nfs/dbraw/zinc/66/77/00/645667700.db2.gz IUDLVGYUXDULRH-INIZCTEOSA-N 0 0 318.380 2.333 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)Nc1ccc(F)c(F)c1 ZINC000803697869 645680970 /nfs/dbraw/zinc/68/09/70/645680970.db2.gz VPBUQCHAKPXSRM-UHFFFAOYSA-N 0 0 305.280 2.109 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)NC1(c2ccccc2)CCC1 ZINC000803698002 645681113 /nfs/dbraw/zinc/68/11/13/645681113.db2.gz ZXABJDBWXWDSQI-UHFFFAOYSA-N 0 0 323.392 2.388 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000803698741 645681578 /nfs/dbraw/zinc/68/15/78/645681578.db2.gz YRGXDOBNYFXZRR-RBSFLKMASA-N 0 0 303.402 2.085 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)Nc1ccc(F)cc1F ZINC000803699001 645681616 /nfs/dbraw/zinc/68/16/16/645681616.db2.gz LXHRNXWXUOOCMA-UHFFFAOYSA-N 0 0 305.280 2.109 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)c1ccc(O)cc1 ZINC000804453315 645773051 /nfs/dbraw/zinc/77/30/51/645773051.db2.gz DVSKKGSRTAHQMX-INIZCTEOSA-N 0 0 307.349 2.326 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000804452331 645773166 /nfs/dbraw/zinc/77/31/66/645773166.db2.gz DYOJSFWSPAHPIC-MOPGFXCFSA-N 0 0 318.376 2.342 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](O)Cc1ccccc1 ZINC000804456524 645773955 /nfs/dbraw/zinc/77/39/55/645773955.db2.gz BNCRPZZVQZRGMN-MOPGFXCFSA-N 0 0 307.393 2.341 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cnc(N(C)C)nc1 ZINC000806364612 645822883 /nfs/dbraw/zinc/82/28/83/645822883.db2.gz CCNMLRIGXKDPBS-OAHLLOKOSA-N 0 0 323.400 2.299 10 30 DEEERN C#C[C@H](CC)NC(=O)N[C@@H](c1c(C)nn(C)c1C)C(F)(F)F ZINC000806387311 645825383 /nfs/dbraw/zinc/82/53/83/645825383.db2.gz ILCHWDRTXBYZIC-PWSUYJOCSA-N 0 0 316.327 2.351 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000806737010 645866560 /nfs/dbraw/zinc/86/65/60/645866560.db2.gz MNFUZSFCNAJANI-UHFFFAOYSA-N 0 0 323.371 2.009 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806907785 645885792 /nfs/dbraw/zinc/88/57/92/645885792.db2.gz XAMCUQCDIPFCNS-UHFFFAOYSA-N 0 0 304.390 2.277 10 30 DEEERN C#CCCCNC(=O)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000806910650 645887334 /nfs/dbraw/zinc/88/73/34/645887334.db2.gz ASAYTTKBHKOYRJ-LBPRGKRZSA-N 0 0 306.793 2.389 10 30 DEEERN C#CCC(CC#C)C(=O)NCCc1c[nH]c2cccc(OC)c12 ZINC000807207395 645925004 /nfs/dbraw/zinc/92/50/04/645925004.db2.gz UGPIAKNWFRLQGW-UHFFFAOYSA-N 0 0 308.381 2.498 10 30 DEEERN C#CCOc1ccccc1NC(=O)CO[C@@H](C)c1nccn1C ZINC000807275511 645934617 /nfs/dbraw/zinc/93/46/17/645934617.db2.gz HKFGUDFPCPEQTR-ZDUSSCGKSA-N 0 0 313.357 2.148 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000807484233 645956550 /nfs/dbraw/zinc/95/65/50/645956550.db2.gz YYHDQEFLWOQRDY-INIZCTEOSA-N 0 0 324.424 2.327 10 30 DEEERN C#CCOc1ccccc1NC(=O)C(=O)NCCC1(F)CCC1 ZINC000807490199 645957467 /nfs/dbraw/zinc/95/74/67/645957467.db2.gz QIKZHVMNRYVCNX-UHFFFAOYSA-N 0 0 318.348 2.036 10 30 DEEERN C=CCOc1ccccc1C(=O)OC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000151324112 646335813 /nfs/dbraw/zinc/33/58/13/646335813.db2.gz QVMYYEREZLUYLC-CYBMUJFWSA-N 0 0 315.369 2.419 10 30 DEEERN C#CCCCOC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000170713111 646660488 /nfs/dbraw/zinc/66/04/88/646660488.db2.gz PLTDPNXKKTVCMQ-BQYQJAHWSA-N 0 0 313.357 2.275 10 30 DEEERN CC[C@@H]1CN(Cn2c(C)nnc2-c2cccc(C#N)c2)CCO1 ZINC000172607180 646744826 /nfs/dbraw/zinc/74/48/26/646744826.db2.gz VMCYIMDLMIOOEO-MRXNPFEDSA-N 0 0 311.389 2.194 10 30 DEEERN Cc1ccc(N(CCC#N)C(=O)CNC(=O)c2cccnc2)cc1 ZINC000153222728 647390595 /nfs/dbraw/zinc/39/05/95/647390595.db2.gz QFJKICYRXXCYJH-UHFFFAOYSA-N 0 0 322.368 2.067 10 30 DEEERN C#CCOc1ccc(NC(=O)C(=O)NCCC2CCCC2)cc1 ZINC000731125079 647449341 /nfs/dbraw/zinc/44/93/41/647449341.db2.gz XIJMBTNUADDDTC-UHFFFAOYSA-N 0 0 314.385 2.334 10 30 DEEERN CC[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CCN1CC(F)F ZINC000153533009 647501281 /nfs/dbraw/zinc/50/12/81/647501281.db2.gz PPELZJGWIRXLNU-CVEARBPZSA-N 0 0 323.387 2.253 10 30 DEEERN CC[C@H](Nc1ccccc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732677940 647637976 /nfs/dbraw/zinc/63/79/76/647637976.db2.gz GIQNSQRUXWZRJM-SJORKVTESA-N 0 0 312.417 2.076 10 30 DEEERN C=CCn1c(C2CC2)nn(CN(C)Cc2cc[nH]n2)c1=S ZINC000732665724 647638443 /nfs/dbraw/zinc/63/84/43/647638443.db2.gz RCFAIKYDLDHKHA-UHFFFAOYSA-N 0 0 304.423 2.290 10 30 DEEERN Cc1c(CN2CCN(C3CC3)[C@@H](C#N)C2)cccc1[N+](=O)[O-] ZINC000732668847 647639101 /nfs/dbraw/zinc/63/91/01/647639101.db2.gz QQIDKIWEIXHPQW-HNNXBMFYSA-N 0 0 300.362 2.075 10 30 DEEERN CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732675338 647640749 /nfs/dbraw/zinc/64/07/49/647640749.db2.gz XRAXKEKNEMNYAE-KBMXLJTQSA-N 0 0 304.438 2.337 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)nn1 ZINC000068281646 648438924 /nfs/dbraw/zinc/43/89/24/648438924.db2.gz HQJZRGKJQVXDDG-VIFPVBQESA-N 0 0 302.721 2.408 10 30 DEEERN N#C[C@H](COC(=O)CCn1cccn1)Cc1ccc(F)cc1 ZINC000068491418 648469963 /nfs/dbraw/zinc/46/99/63/648469963.db2.gz NWGNTXWHUPTOFC-CQSZACIVSA-N 0 0 301.321 2.338 10 30 DEEERN Cc1nnc([C@H](C)OC(=O)[C@@H](C)Oc2ccccc2C#N)o1 ZINC000068508671 648472329 /nfs/dbraw/zinc/47/23/29/648472329.db2.gz QXCPZHHSKCDEFC-VHSXEESVSA-N 0 0 301.302 2.321 10 30 DEEERN C=C[C@H](CC)OC(=O)CN1C(=O)NC2(CCC(CC)CC2)C1=O ZINC000181245817 648592377 /nfs/dbraw/zinc/59/23/77/648592377.db2.gz XPQXPGCBRHQSOC-UIORMTCPSA-N 0 0 322.405 2.385 10 30 DEEERN C#CC[C@@H](OC(=O)c1ccc2nnn(C)c2c1)c1ccccn1 ZINC000183584267 649111701 /nfs/dbraw/zinc/11/17/01/649111701.db2.gz RKVSRMOZZVTXHX-MRXNPFEDSA-N 0 0 306.325 2.285 10 30 DEEERN C#CCN(CC#C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000076185405 649117447 /nfs/dbraw/zinc/11/74/47/649117447.db2.gz RLLUIKKBMPATGS-CQSZACIVSA-N 0 0 311.303 2.014 10 30 DEEERN CO[C@H](CNC(=O)NCc1ccc(C#N)cc1F)C(F)(F)F ZINC000733356895 649553624 /nfs/dbraw/zinc/55/36/24/649553624.db2.gz UZPKXGSRUAGUBC-LLVKDONJSA-N 0 0 319.258 2.074 10 30 DEEERN C=CCOc1ccccc1C(=O)O[C@H](C)CCS(C)(=O)=O ZINC000185753021 649602659 /nfs/dbraw/zinc/60/26/59/649602659.db2.gz GZRTUACGBSVEIN-GFCCVEGCSA-N 0 0 312.387 2.231 10 30 DEEERN N#Cc1ccc(CCC(=O)OCCN2CCCCC2=O)cc1 ZINC000107026338 651408392 /nfs/dbraw/zinc/40/83/92/651408392.db2.gz JMKVZVJNCVSBHF-UHFFFAOYSA-N 0 0 300.358 2.047 10 30 DEEERN Cc1ccc(C)c(N2N=C(C(=O)N[C@H](C#N)C3CC3)CCC2=O)c1 ZINC000108828443 651721333 /nfs/dbraw/zinc/72/13/33/651721333.db2.gz XRQJRHFKHPBPQC-OAHLLOKOSA-N 0 0 324.384 2.205 10 30 DEEERN C#CCN1CCN(C(=O)Cc2c[nH]c3c2cccc3CC)CC1 ZINC000109364267 651945012 /nfs/dbraw/zinc/94/50/12/651945012.db2.gz TUMRXRCOQSEQHC-UHFFFAOYSA-N 0 0 309.413 2.050 10 30 DEEERN Cc1csc(=O)n1CCC(=O)OCC#Cc1ccccc1 ZINC000076923309 683948125 /nfs/dbraw/zinc/94/81/25/683948125.db2.gz IQNRWHUVACKZMM-UHFFFAOYSA-N 0 0 301.367 2.203 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)c1ccc(Cl)nn1 ZINC000118613222 684072603 /nfs/dbraw/zinc/07/26/03/684072603.db2.gz KAMCESVOEMWPSO-JTQLQIEISA-N 0 0 316.748 2.432 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)c1ccc(Cl)nn1 ZINC000118613224 684072612 /nfs/dbraw/zinc/07/26/12/684072612.db2.gz KAMCESVOEMWPSO-SNVBAGLBSA-N 0 0 316.748 2.432 10 30 DEEERN C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(C)nc2C)c1 ZINC000122125417 684112291 /nfs/dbraw/zinc/11/22/91/684112291.db2.gz MCIYIHJWPXJAIY-UHFFFAOYSA-N 0 0 321.380 2.073 10 30 DEEERN C#Cc1cccc(N(C)C(=O)c2cc(Cn3cc(C)cn3)on2)c1 ZINC000130331590 684188088 /nfs/dbraw/zinc/18/80/88/684188088.db2.gz HVLNFXFBFLQVCR-UHFFFAOYSA-N 0 0 320.352 2.486 10 30 DEEERN CCc1c[nH]c(SCCS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000130791269 684192768 /nfs/dbraw/zinc/19/27/68/684192768.db2.gz QFJWETMINGOEJG-UHFFFAOYSA-N 0 0 321.427 2.410 10 30 DEEERN C=C(Br)CNC(=O)CSCC(=O)OC(C)(C)C ZINC000132067368 684204851 /nfs/dbraw/zinc/20/48/51/684204851.db2.gz XJPVYRZJOTUFMD-UHFFFAOYSA-N 0 0 324.240 2.086 10 30 DEEERN COc1ccccc1[C@H](O)CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000133094928 684216423 /nfs/dbraw/zinc/21/64/23/684216423.db2.gz ZFOMBSJBJHWQHM-GFCCVEGCSA-N 0 0 314.301 2.016 10 30 DEEERN C[C@H]1CN(C(=O)Nc2ccc(F)cc2OCC#N)C[C@H](C)O1 ZINC000135260025 684233654 /nfs/dbraw/zinc/23/36/54/684233654.db2.gz JTUYCGXVHPNOQZ-QWRGUYRKSA-N 0 0 307.325 2.369 10 30 DEEERN CNC(=O)C(C#N)=C(O)C=Cc1ccc2ccc(Cl)cc2n1 ZINC000136790638 684242084 /nfs/dbraw/zinc/24/20/84/684242084.db2.gz DFLUKQJRHSNKOT-YBJDMEARSA-N 0 0 313.744 2.356 10 30 DEEERN N#C[C@H](C(=O)CSCC(F)(F)F)C(=O)NC1CCCC1 ZINC000156152658 684284954 /nfs/dbraw/zinc/28/49/54/684284954.db2.gz CPOJZLBXQOYZTO-SECBINFHSA-N 0 0 308.325 2.050 10 30 DEEERN N#Cc1ccc(OC(=O)Cn2cnc3ccccc3c2=O)c(F)c1 ZINC000157995018 684296531 /nfs/dbraw/zinc/29/65/31/684296531.db2.gz HJFPFCQPOBEYPJ-UHFFFAOYSA-N 0 0 323.283 2.013 10 30 DEEERN N#Cc1cccc(S(=O)(=O)CCSC[C@@H]2CCCO2)c1 ZINC000179084839 684333999 /nfs/dbraw/zinc/33/39/99/684333999.db2.gz FZVMPGHSVAIMHI-ZDUSSCGKSA-N 0 0 311.428 2.244 10 30 DEEERN CC[C@@H](CC#N)OC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 ZINC000188083156 684349024 /nfs/dbraw/zinc/34/90/24/684349024.db2.gz IMBZUSQQXLGKDP-MRZGDXHCSA-N 0 0 322.386 2.307 10 30 DEEERN C=C[C@@](C)(CCOC)COC(=O)Cn1c(C)c(C)sc1=O ZINC000191164754 684421788 /nfs/dbraw/zinc/42/17/88/684421788.db2.gz LFPIKBLYDCZMLL-HNNXBMFYSA-N 0 0 313.419 2.299 10 30 DEEERN CCn1cc([N+](=O)[O-])c(C(=O)OCC2(C#N)CCCCC2)n1 ZINC000192436153 684450085 /nfs/dbraw/zinc/45/00/85/684450085.db2.gz CNQJBDFWTGWUNG-UHFFFAOYSA-N 0 0 306.322 2.442 10 30 DEEERN C#CC[C@H](OC(=O)c1ccn(CC(F)F)n1)c1ccccn1 ZINC000192815098 684457931 /nfs/dbraw/zinc/45/79/31/684457931.db2.gz PZDZPGFKOBQUNR-ZDUSSCGKSA-N 0 0 305.284 2.465 10 30 DEEERN CCO[C@@H]1C[C@@H]1COC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000193143942 685033291 /nfs/dbraw/zinc/03/32/91/685033291.db2.gz LQNPEQLWIGWOCV-GDBMZVCRSA-N 0 0 319.405 2.314 10 30 DEEERN COc1cc(C#N)ccc1OC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000194804646 685078160 /nfs/dbraw/zinc/07/81/60/685078160.db2.gz MSKLCZNIDPOFCD-UHFFFAOYSA-N 0 0 313.269 2.398 10 30 DEEERN C=C(Br)COC(=O)c1ccc(CNC(C)=O)s1 ZINC000195347563 685094624 /nfs/dbraw/zinc/09/46/24/685094624.db2.gz OZRYAHBCXPTUKJ-UHFFFAOYSA-N 0 0 318.192 2.450 10 30 DEEERN C=CCC[C@@H](C)OC(=O)[C@H]1CCCN1S(=O)(=O)CCC ZINC000246314180 685127721 /nfs/dbraw/zinc/12/77/21/685127721.db2.gz DWKLDPUQWVLONB-CHWSQXEVSA-N 0 0 303.424 2.089 10 30 DEEERN CC(=O)N1CCO[C@@H]2CCN(c3c(Cl)cccc3C#N)C[C@@H]21 ZINC000886056912 691994685 /nfs/dbraw/zinc/99/46/85/691994685.db2.gz QIKBPNRJSNOPMU-LSDHHAIUSA-N 0 0 319.792 2.038 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=O)c1cc(C#N)cn1C ZINC000176585703 777456738 /nfs/dbraw/zinc/45/67/38/777456738.db2.gz KWCYIQIDINXDOF-UHFFFAOYSA-N 0 0 308.341 2.065 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000176620058 777462765 /nfs/dbraw/zinc/46/27/65/777462765.db2.gz OIIVXNYZGMIFFQ-UHFFFAOYSA-N 0 0 306.228 2.335 10 30 DEEERN COc1ccc(CNC(=O)c2cc(C3CC3)n(C)n2)cc1C#N ZINC000746923374 786545244 /nfs/dbraw/zinc/54/52/44/786545244.db2.gz OMSODLTYAIAVGH-UHFFFAOYSA-N 0 0 310.357 2.108 10 30 DEEERN C#CC[C@H](COC)NC(=O)c1csc(Br)c1 ZINC000716889045 793020614 /nfs/dbraw/zinc/02/06/14/793020614.db2.gz RGZPQRHSRJEWKQ-SECBINFHSA-N 0 0 302.193 2.279 10 30 DEEERN CC[C@@H](C[C@H](C)O)NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000716952722 797943197 /nfs/dbraw/zinc/94/31/97/797943197.db2.gz ICFCCYUECPNIOW-ONGXEEELSA-N 0 0 316.810 2.039 10 30 DEEERN N#CCSc1ccccc1C(=O)NCC[C@H](O)C(F)F ZINC000717418653 799404099 /nfs/dbraw/zinc/40/40/99/799404099.db2.gz APBMEWPAONIKGC-JTQLQIEISA-N 0 0 300.330 2.048 10 30 DEEERN CC(C)(C#N)COC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000588419033 1082334752 /nfs/dbraw/zinc/33/47/52/1082334752.db2.gz IGYGNFTUHHFRPZ-TWGQIWQCSA-N 0 0 322.386 2.164 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NC1(C)CC(F)(F)C1 ZINC000720994145 1085287436 /nfs/dbraw/zinc/28/74/36/1085287436.db2.gz OTYALZCJYFWJAP-UHFFFAOYSA-N 0 0 300.330 2.333 10 30 DEEERN N#CC1(C(=O)NCCOC(F)(F)C(F)(F)F)CCCC1 ZINC000720335389 1088203659 /nfs/dbraw/zinc/20/36/59/1088203659.db2.gz GVFLVOOZKWXHIC-UHFFFAOYSA-N 0 0 300.227 2.358 10 30 DEEERN C[C@@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)C[C@@H](C)S1 ZINC000720037981 1089428178 /nfs/dbraw/zinc/42/81/78/1089428178.db2.gz OIISWRLITYMIOF-NXEZZACHSA-N 0 0 314.407 2.212 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000278295013 214073109 /nfs/dbraw/zinc/07/31/09/214073109.db2.gz RTIJLNOJAFHICK-IUODEOHRSA-N 0 0 316.336 2.326 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000076853690 185047155 /nfs/dbraw/zinc/04/71/55/185047155.db2.gz HVVDHTQTYBLTFZ-UHFFFAOYSA-N 0 0 314.363 2.190 10 30 DEEERN Cc1ccc2c(O)c(C(=O)NCc3ccc(C#N)cc3)cnc2n1 ZINC000076873929 185047770 /nfs/dbraw/zinc/04/77/70/185047770.db2.gz CDSAUZUNYKAHII-UHFFFAOYSA-N 0 0 318.336 2.446 10 30 DEEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC[C@](C)(C#N)C1 ZINC000612365280 361804461 /nfs/dbraw/zinc/80/44/61/361804461.db2.gz UTCYSTKUYKVPQT-SJORKVTESA-N 0 0 319.405 2.400 10 30 DEEERN C=C(C)COCCNC(=O)c1cncc(Br)c1C ZINC000612435767 361826351 /nfs/dbraw/zinc/82/63/51/361826351.db2.gz HPVHZUOEVQKFFF-UHFFFAOYSA-N 0 0 313.195 2.475 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCc2c(F)cc(F)cc2C1 ZINC000612532692 361855008 /nfs/dbraw/zinc/85/50/08/361855008.db2.gz DFWDSNSPBFODKZ-MRXNPFEDSA-N 0 0 322.355 2.320 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1nc(CC)c(C(=O)OC)s1 ZINC000278638956 214293578 /nfs/dbraw/zinc/29/35/78/214293578.db2.gz GCNVEFHFUNZOGL-UHFFFAOYSA-N 0 0 304.371 2.093 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CCC(OC(C)C)CC1 ZINC000612849732 361930320 /nfs/dbraw/zinc/93/03/20/361930320.db2.gz YTQPTCPDYROLLG-UYSNPLJNSA-N 0 0 310.438 2.310 10 30 DEEERN N#Cc1cccc(Cc2nc(-c3cccc(C(N)=O)c3)no2)c1 ZINC000612900542 361945427 /nfs/dbraw/zinc/94/54/27/361945427.db2.gz FFAAXMBQTBYCFU-UHFFFAOYSA-N 0 0 304.309 2.298 10 30 DEEERN C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1CC1 ZINC000612926606 361952847 /nfs/dbraw/zinc/95/28/47/361952847.db2.gz KBAFKHKAHXBNSJ-OAHLLOKOSA-N 0 0 320.437 2.221 10 30 DEEERN CC#CCNC(=O)Nc1c(C)cccc1-c1nnnn1[C@@H]1C[C@H]1C ZINC000278718586 214350593 /nfs/dbraw/zinc/35/05/93/214350593.db2.gz UYFZYKYDPQASIL-TZMCWYRMSA-N 0 0 324.388 2.374 10 30 DEEERN O=C(Nc1cc(C#CCCO)ccc1Cl)c1cnns1 ZINC000087475521 185225951 /nfs/dbraw/zinc/22/59/51/185225951.db2.gz WOCUJJSQUFGRFJ-UHFFFAOYSA-N 0 0 307.762 2.178 10 30 DEEERN CCN(Cc1cc(OC)ccc1C#CCO)CC(F)(F)F ZINC000087787070 185231791 /nfs/dbraw/zinc/23/17/91/185231791.db2.gz XDJIIEWPBUXLET-UHFFFAOYSA-N 0 0 301.308 2.423 10 30 DEEERN COc1ccc(C#CCO)c(CSc2nccc(C)n2)c1 ZINC000087788965 185232315 /nfs/dbraw/zinc/23/23/15/185232315.db2.gz JIEBWHPJDMJQKU-UHFFFAOYSA-N 0 0 300.383 2.430 10 30 DEEERN C#CCNC(=O)[C@@H](C)Nc1c(F)cc(Br)cc1F ZINC000088170920 185240804 /nfs/dbraw/zinc/24/08/04/185240804.db2.gz FYHFIWJSQIKTGL-SSDOTTSWSA-N 0 0 317.133 2.277 10 30 DEEERN N#CCC1(CS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000088272238 185244267 /nfs/dbraw/zinc/24/42/67/185244267.db2.gz NLKBOUPTSXYRDT-UHFFFAOYSA-N 0 0 307.371 2.315 10 30 DEEERN C=CCOCCCC(=O)Nc1c[nH]cc(Br)c1=O ZINC000089991310 185275363 /nfs/dbraw/zinc/27/53/63/185275363.db2.gz YZAZZMBFYHVPGG-UHFFFAOYSA-N 0 0 315.167 2.059 10 30 DEEERN C=CCN(C(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F)C1CC1 ZINC000613239086 362053135 /nfs/dbraw/zinc/05/31/35/362053135.db2.gz JUKSJDJAOWJKBE-RYUDHWBXSA-N 0 0 307.312 2.147 10 30 DEEERN N#Cc1ccc(OCCNC(=O)CSCC(F)(F)F)cc1 ZINC000090421516 185295404 /nfs/dbraw/zinc/29/54/04/185295404.db2.gz JZAYNHNCHFPKRI-UHFFFAOYSA-N 0 0 318.320 2.349 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)Cc1ccc(C(=O)NC)cc1 ZINC000625325614 365729747 /nfs/dbraw/zinc/72/97/47/365729747.db2.gz DQWNXNRZPJTAAL-UHFFFAOYSA-N 0 0 324.446 2.068 10 30 DEEERN O=C(NCC#CCOc1cccnc1)c1ccc2ccccc2n1 ZINC000090733923 185311600 /nfs/dbraw/zinc/31/16/00/185311600.db2.gz SWAHWIDNLSHPCI-UHFFFAOYSA-N 0 0 317.348 2.442 10 30 DEEERN CC(=O)Nc1cccc(OCC#CCNC(=O)c2ccco2)c1 ZINC000090732081 185311699 /nfs/dbraw/zinc/31/16/99/185311699.db2.gz DTFULCGFQHVXNW-UHFFFAOYSA-N 0 0 312.325 2.050 10 30 DEEERN CC(C)(C#N)N1CCN(Cc2cncc(Br)c2)CC1 ZINC000166936215 197701481 /nfs/dbraw/zinc/70/14/81/197701481.db2.gz BUGCWTGOBJLANK-UHFFFAOYSA-N 0 0 323.238 2.264 10 30 DEEERN C=CCCCCNC(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC000613595252 362157393 /nfs/dbraw/zinc/15/73/93/362157393.db2.gz JATZCQJOQZYWHO-NWDGAFQWSA-N 0 0 309.328 2.443 10 30 DEEERN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@H]1c1ccco1 ZINC000407954373 295693528 /nfs/dbraw/zinc/69/35/28/295693528.db2.gz GJMHEOSRONIBNC-STQMWFEESA-N 0 0 311.407 2.143 10 30 DEEERN C=C(C)[C@@H](NC(=O)CCc1cn(C)nn1)c1ccc(F)c(F)c1 ZINC000613610359 362162027 /nfs/dbraw/zinc/16/20/27/362162027.db2.gz OYKAQMNATARTHQ-MRXNPFEDSA-N 0 0 320.343 2.460 10 30 DEEERN CCSc1cccc(N2CCO[C@H](C(=O)OC)C2)c1C#N ZINC000167607826 197711702 /nfs/dbraw/zinc/71/17/02/197711702.db2.gz SHPVWZXZTCQHFV-ZDUSSCGKSA-N 0 0 306.387 2.048 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)CCc2scnc2C)C1 ZINC000625355982 365744723 /nfs/dbraw/zinc/74/47/23/365744723.db2.gz XMWMUQGRDUEHCV-LBPRGKRZSA-N 0 0 300.449 2.222 10 30 DEEERN CCc1nc(C(C)(C)NCCOc2ccc(C#N)cc2)no1 ZINC000441241965 529714308 /nfs/dbraw/zinc/71/43/08/529714308.db2.gz DXVNXQRGROMLLZ-UHFFFAOYSA-N 0 0 300.362 2.407 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000625416088 365774157 /nfs/dbraw/zinc/77/41/57/365774157.db2.gz BYZOIUMKZQAQIO-ZDUSSCGKSA-N 0 0 319.405 2.365 10 30 DEEERN N#Cc1ccc(-c2ccc(N3C[C@H](CO)OC3=O)cc2F)cn1 ZINC000169349761 197745278 /nfs/dbraw/zinc/74/52/78/197745278.db2.gz IRNRTVCIXBMKKB-CYBMUJFWSA-N 0 0 313.288 2.077 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC1CCC(F)(F)CC1 ZINC000614487978 362395771 /nfs/dbraw/zinc/39/57/71/362395771.db2.gz JKNLZBIDBJWTPI-ZDUSSCGKSA-N 0 0 302.365 2.399 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000614477929 362393428 /nfs/dbraw/zinc/39/34/28/362393428.db2.gz VQPFLBJIRNECPD-STQMWFEESA-N 0 0 302.365 2.399 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCOc2cccc(F)c2C1 ZINC000614526572 362402905 /nfs/dbraw/zinc/40/29/05/362402905.db2.gz IRDGCISMJZUZCR-HNNXBMFYSA-N 0 0 320.364 2.018 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCCSc1ccccn1 ZINC000614577064 362412061 /nfs/dbraw/zinc/41/20/61/362412061.db2.gz MJKAHKNBQIHLMV-AWEZNQCLSA-N 0 0 321.446 2.151 10 30 DEEERN CCOc1cccc(CCNC(=O)c2ccc(C#N)c(O)c2)n1 ZINC000615427418 362606919 /nfs/dbraw/zinc/60/69/19/362606919.db2.gz NVNVVZBSZQEKRN-UHFFFAOYSA-N 0 0 311.341 2.030 10 30 DEEERN CN(C)c1nnc(SC[C@@](N)(C#N)c2ccccc2)s1 ZINC000111316676 185580671 /nfs/dbraw/zinc/58/06/71/185580671.db2.gz LRKGIBGSCMIZGV-ZDUSSCGKSA-N 0 0 305.432 2.074 10 30 DEEERN C=C(C)CCNC(=O)CN1CC[C@H](c2ccccc2)NC1=O ZINC000615826130 362708892 /nfs/dbraw/zinc/70/88/92/362708892.db2.gz JHIKLWGLNLQXQN-OAHLLOKOSA-N 0 0 301.390 2.225 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)NCC[C@H]1CCCOC1 ZINC000625509366 365810490 /nfs/dbraw/zinc/81/04/90/365810490.db2.gz PSFMLSDLYHGUSH-OAHLLOKOSA-N 0 0 310.438 2.124 10 30 DEEERN Cc1ccc(NC(=O)[C@H](C#N)c2nccn2CC(F)(F)F)cn1 ZINC000616177077 362788264 /nfs/dbraw/zinc/78/82/64/362788264.db2.gz FQPXSTYXCWEMLE-LLVKDONJSA-N 0 0 323.278 2.395 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC1CCC(C(F)F)CC1 ZINC000616232201 362803104 /nfs/dbraw/zinc/80/31/04/362803104.db2.gz MQHFIVUSBYNQJL-BPCQOVAHSA-N 0 0 302.365 2.397 10 30 DEEERN CS(=O)(=O)N1C[C@@H](c2ccccc2C#N)Nc2ccccc21 ZINC000616681586 362909026 /nfs/dbraw/zinc/90/90/26/362909026.db2.gz ZAOODWWADFCHFU-HNNXBMFYSA-N 0 0 313.382 2.491 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H]1CCOc2ccc(OCC)cc21 ZINC000185897150 539673439 /nfs/dbraw/zinc/67/34/39/539673439.db2.gz APXMYXDENYAMEH-WFASDCNBSA-N 0 0 320.389 2.145 10 30 DEEERN N#C[C@@H]1c2cc(OCc3ccccc3)ccc2C(=O)N1CCO ZINC000071682609 191006556 /nfs/dbraw/zinc/00/65/56/191006556.db2.gz OCZQOGBEFCYCFK-QGZVFWFLSA-N 0 0 308.337 2.278 10 30 DEEERN COc1cc2c(c(OC)c1)C(C#N)N(Cc1cccnc1)C2=O ZINC000071680696 191007793 /nfs/dbraw/zinc/00/77/93/191007793.db2.gz SMEYQPXJRAVAAP-AWEZNQCLSA-N 0 0 309.325 2.319 10 30 DEEERN C[C@H]1SCCN(C(=O)c2cc(F)ccc2C#CCO)[C@H]1C ZINC000133643025 186002354 /nfs/dbraw/zinc/00/23/54/186002354.db2.gz TZCGBJQIEFSQQJ-NWDGAFQWSA-N 0 0 307.390 2.136 10 30 DEEERN CN[C@@](C)(C#N)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000138347131 186016209 /nfs/dbraw/zinc/01/62/09/186016209.db2.gz QVNUDVXPPSJQFS-NSHDSACASA-N 0 0 303.240 2.494 10 30 DEEERN C[C@@H]1CCC[C@H](C)N1NS(=O)(=O)c1cccc(F)c1C#N ZINC000147789894 186041954 /nfs/dbraw/zinc/04/19/54/186041954.db2.gz HUUZRLAIKYSLIA-PHIMTYICSA-N 0 0 311.382 2.154 10 30 DEEERN O=C(NCc1sccc1C#CCCO)c1cccc(O)c1 ZINC000148605641 186044920 /nfs/dbraw/zinc/04/49/20/186044920.db2.gz HQKASTLTBIVQTK-UHFFFAOYSA-N 0 0 301.367 2.118 10 30 DEEERN N#CCC1(COc2ccc(Cl)cc2S(N)(=O)=O)CC1 ZINC000147264173 186038922 /nfs/dbraw/zinc/03/89/22/186038922.db2.gz CYDMZEQSPYFELE-UHFFFAOYSA-N 0 0 300.767 2.060 10 30 DEEERN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)CSc1ccc(C#N)cc1 ZINC000155760205 186110298 /nfs/dbraw/zinc/11/02/98/186110298.db2.gz DRDOBVGQUCEVAG-CHWSQXEVSA-N 0 0 303.431 2.201 10 30 DEEERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)NCCCCC#N)CC1 ZINC000171448863 186162069 /nfs/dbraw/zinc/16/20/69/186162069.db2.gz MKRPBMGYAFTIDR-CQSZACIVSA-N 0 0 322.453 2.263 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCC[C@@]1(C)NC(=O)NC1=O ZINC000617040663 363006753 /nfs/dbraw/zinc/00/67/53/363006753.db2.gz XHAIAHYXSYODSS-IIYDPXPESA-N 0 0 321.421 2.006 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(OCC(N)=O)cc1 ZINC000617035322 363006782 /nfs/dbraw/zinc/00/67/82/363006782.db2.gz KJWXWPUBAJOVSQ-CJNGLKHVSA-N 0 0 316.401 2.415 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cn(C2CCOCC2)nn1 ZINC000617044504 363008228 /nfs/dbraw/zinc/00/82/28/363008228.db2.gz OUDKWFVDUPMCLB-UKRRQHHQSA-N 0 0 318.421 2.494 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(CC#N)CC1 ZINC000595498855 358465059 /nfs/dbraw/zinc/46/50/59/358465059.db2.gz JRJYDSAVUKEZJE-HOCLYGCPSA-N 0 0 304.438 2.408 10 30 DEEERN C=CCc1ccc(OCC(=O)Nc2c(C)cnn2C)c(OC)c1 ZINC000617281755 363075724 /nfs/dbraw/zinc/07/57/24/363075724.db2.gz CIGHODODQHBJRO-UHFFFAOYSA-N 0 0 315.373 2.483 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@H]2C[C@H](C)n3ncnc32)cc1 ZINC000617449400 363143130 /nfs/dbraw/zinc/14/31/30/363143130.db2.gz NDHIRVWAWQVKST-WFASDCNBSA-N 0 0 312.373 2.208 10 30 DEEERN O=C(NCC1CC(c2ccccc2)C1)N[C@@H]1CC[S@@](=O)C1 ZINC000328697209 539909905 /nfs/dbraw/zinc/90/99/05/539909905.db2.gz LFIFXUIGKANQKI-GMEFHGJUSA-N 0 0 306.431 2.205 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000328778469 539910463 /nfs/dbraw/zinc/91/04/63/539910463.db2.gz GFFMYEZPGZSOFD-YOEHRIQHSA-N 0 0 302.422 2.473 10 30 DEEERN CC(=O)N1CC(NC(=O)c2ccc3c(c2)nc(C(F)F)n3C)C1 ZINC000328634726 539909146 /nfs/dbraw/zinc/90/91/46/539909146.db2.gz BPSMMKFBNSWTEL-UHFFFAOYSA-N 0 0 322.315 2.046 10 30 DEEERN C=CCN(C(=O)C[C@H](NC(C)=O)c1ccccc1)[C@@H](C)COC ZINC000617575055 363193010 /nfs/dbraw/zinc/19/30/10/363193010.db2.gz OSQTZYLGSNVUQJ-YOEHRIQHSA-N 0 0 318.417 2.303 10 30 DEEERN CNC(=O)[C@@H]1CCCN1C(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC000329410383 539920051 /nfs/dbraw/zinc/92/00/51/539920051.db2.gz BUIWGVKCJDQHRX-RISCZKNCSA-N 0 0 304.394 2.353 10 30 DEEERN C=CCN(C(=O)c1cc2c(cc1OC)OCO2)[C@H](C)COC ZINC000617582393 363196230 /nfs/dbraw/zinc/19/62/30/363196230.db2.gz MNALXBBFXBUZBJ-LLVKDONJSA-N 0 0 307.346 2.087 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@H](C)C[C@@H](C)C1 ZINC000329821259 539930248 /nfs/dbraw/zinc/93/02/48/539930248.db2.gz HCDHPGLYBYEULW-ZNMIVQPWSA-N 0 0 320.437 2.424 10 30 DEEERN C=CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000617617844 363203749 /nfs/dbraw/zinc/20/37/49/363203749.db2.gz WTXFEPWCIGDWFP-ILXRZTDVSA-N 0 0 300.406 2.306 10 30 DEEERN C=CCNC(=O)CN1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000173883727 198263767 /nfs/dbraw/zinc/26/37/67/198263767.db2.gz NLNZEECGWOBIQH-NVXWUHKLSA-N 0 0 302.418 2.367 10 30 DEEERN C[C@H](NCc1ccc(C#N)o1)c1ccc(S(C)(=O)=O)cc1 ZINC000174250689 198310650 /nfs/dbraw/zinc/31/06/50/198310650.db2.gz CSXLXRZYLGOZLN-NSHDSACASA-N 0 0 304.371 2.406 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)[C@H]1CSCN1C(=O)CC ZINC000272376953 209771088 /nfs/dbraw/zinc/77/10/88/209771088.db2.gz BLIHTXUBJWKMOT-CQSZACIVSA-N 0 0 322.430 2.148 10 30 DEEERN C=CC[C@@H](C(=O)N1CCC[C@](CO)(OC)C1)c1ccccc1 ZINC000617801524 363269343 /nfs/dbraw/zinc/26/93/43/363269343.db2.gz QXIXTPCFMFDQAM-AEFFLSMTSA-N 0 0 303.402 2.346 10 30 DEEERN COC(=O)c1cccc(NCC(=O)N[C@@](C)(C#N)C(C)C)c1C ZINC000026791864 354085593 /nfs/dbraw/zinc/08/55/93/354085593.db2.gz WXZRBGIHBLHYDD-KRWDZBQOSA-N 0 0 317.389 2.248 10 30 DEEERN C=CCNC(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12 ZINC000038179175 354167584 /nfs/dbraw/zinc/16/75/84/354167584.db2.gz GLWGCONAZKHCIA-UHFFFAOYSA-N 0 0 317.349 2.040 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(C)n(C[C@H]2CCCOC2)c1C ZINC000626448508 366189726 /nfs/dbraw/zinc/18/97/26/366189726.db2.gz BYEOCOJPCPMXKB-CVEARBPZSA-N 0 0 320.433 2.198 10 30 DEEERN N#CC1CCN(S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000131378268 283050401 /nfs/dbraw/zinc/05/04/01/283050401.db2.gz URBXUGFEEVOZGG-UHFFFAOYSA-N 0 0 302.758 2.403 10 30 DEEERN COc1ccc(CC(=O)Nc2cc(C#N)ccn2)cc1[N+](=O)[O-] ZINC000618137849 363391761 /nfs/dbraw/zinc/39/17/61/363391761.db2.gz SHOZOMAZFFKLBU-UHFFFAOYSA-N 0 0 312.285 2.051 10 30 DEEERN C=CCC1(NC(=O)c2cnc(OCC3CC3)cn2)CCOCC1 ZINC000618251058 363432452 /nfs/dbraw/zinc/43/24/52/363432452.db2.gz ZVNPIKOEPZPCBP-UHFFFAOYSA-N 0 0 317.389 2.121 10 30 DEEERN C=CCCCN(C)C(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC000076487796 355152200 /nfs/dbraw/zinc/15/22/00/355152200.db2.gz XHTNBTQFCICSDX-LBPRGKRZSA-N 0 0 313.394 2.413 10 30 DEEERN C#C[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000077293378 355197048 /nfs/dbraw/zinc/19/70/48/355197048.db2.gz RONQVEAZNZIVHW-BHJGDWCPSA-N 0 0 314.425 2.463 10 30 DEEERN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000073599492 191330064 /nfs/dbraw/zinc/33/00/64/191330064.db2.gz ULRAJHKJIXBODI-YLADIXGZSA-N 0 0 321.465 2.415 10 30 DEEERN Cc1nc(N(C)S(=O)(=O)c2ccccc2C#N)sc1C ZINC000074916483 191387195 /nfs/dbraw/zinc/38/71/95/191387195.db2.gz WQFCGWNCMHSNGS-UHFFFAOYSA-N 0 0 307.400 2.457 10 30 DEEERN N#Cc1ccccc1S(=O)(=O)N1CCO[C@H]1c1ccccc1 ZINC000074882623 191378114 /nfs/dbraw/zinc/37/81/14/191378114.db2.gz KKXCMKVGWINILK-INIZCTEOSA-N 0 0 314.366 2.278 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ccnc(C(=O)OC)c1 ZINC000080475980 355366334 /nfs/dbraw/zinc/36/63/34/355366334.db2.gz RURUNSRLEGAWMZ-UHFFFAOYSA-N 0 0 302.252 2.059 10 30 DEEERN CC(=O)N1CCCc2cc(NC(=O)c3cc(C#N)cn3C)ccc21 ZINC000081063306 355406439 /nfs/dbraw/zinc/40/64/39/355406439.db2.gz TXNIMKBMFUOYDB-UHFFFAOYSA-N 0 0 322.368 2.448 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN(C)C1=O ZINC000412837725 540150738 /nfs/dbraw/zinc/15/07/38/540150738.db2.gz ILLQFRYPGKUMTD-HZPDHXFCSA-N 0 0 300.402 2.158 10 30 DEEERN N#Cc1cc(N2CCC[C@@H]2C(N)=O)nc2ccc(Cl)cc12 ZINC000092582549 355640660 /nfs/dbraw/zinc/64/06/60/355640660.db2.gz ZENOXTZATILAMN-CYBMUJFWSA-N 0 0 300.749 2.214 10 30 DEEERN C=CCOc1ccccc1CN(CC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000092361263 355630017 /nfs/dbraw/zinc/63/00/17/355630017.db2.gz NGJBXGCPZAWPHT-MRXNPFEDSA-N 0 0 321.442 2.427 10 30 DEEERN C=CCCCNC(=O)c1cccc(C(=O)NCCCC=C)n1 ZINC000448524222 540187180 /nfs/dbraw/zinc/18/71/80/540187180.db2.gz FSLMEQLYYJNKAG-UHFFFAOYSA-N 0 0 301.390 2.474 10 30 DEEERN CCOC(=O)CC[C@H]1CCCN(C(=O)c2cc(C#N)cn2C)C1 ZINC000118961538 355782155 /nfs/dbraw/zinc/78/21/55/355782155.db2.gz QJBRNTLESFVVNJ-CYBMUJFWSA-N 0 0 317.389 2.092 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000128637055 355829228 /nfs/dbraw/zinc/82/92/28/355829228.db2.gz UTZRICVPBGPMJC-KGLIPLIRSA-N 0 0 314.385 2.353 10 30 DEEERN C=C[C@@H](CO)n1ncnc1C(O)(c1ccccc1)c1ccccc1 ZINC000005382858 181237447 /nfs/dbraw/zinc/23/74/47/181237447.db2.gz AUCKVYPGMZTVTG-KRWDZBQOSA-N 0 0 321.380 2.282 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(N(C)C)c1C ZINC000180604535 356054675 /nfs/dbraw/zinc/05/46/75/356054675.db2.gz MQHNISIEADWMCJ-UHFFFAOYSA-N 0 0 303.406 2.424 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CCCCC)cc1 ZINC000183192366 356162526 /nfs/dbraw/zinc/16/25/26/356162526.db2.gz GCRVTYFGGQDPDA-INIZCTEOSA-N 0 0 318.417 2.411 10 30 DEEERN Cn1nnc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)cc21 ZINC000183451703 356172849 /nfs/dbraw/zinc/17/28/49/356172849.db2.gz LOPUBQLOYQYNGL-LLVKDONJSA-N 0 0 316.324 2.335 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccccc1OC(F)(F)F ZINC000182799351 356146815 /nfs/dbraw/zinc/14/68/15/356146815.db2.gz YHPBJHWIGSAXCY-NSHDSACASA-N 0 0 318.295 2.321 10 30 DEEERN C=C[C@H](CC(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1)c1ccccc1 ZINC000618324244 363460163 /nfs/dbraw/zinc/46/01/63/363460163.db2.gz SHNJVFHBOMJQOB-SQWLQELKSA-N 0 0 321.442 2.428 10 30 DEEERN CCNC(=O)c1ccc(NC(=O)c2cc(C#N)cn2C)c(C)c1 ZINC000081033942 192217950 /nfs/dbraw/zinc/21/79/50/192217950.db2.gz YJPAHYKFTYVWQJ-UHFFFAOYSA-N 0 0 310.357 2.207 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000081011810 192212885 /nfs/dbraw/zinc/21/28/85/192212885.db2.gz RUPQYHUUUADPRV-UONOGXRCSA-N 0 0 319.430 2.023 10 30 DEEERN C[C@H](C#N)CNc1ncc(F)cc1I ZINC000306219953 356403272 /nfs/dbraw/zinc/40/32/72/356403272.db2.gz NPOJJAYDIFFBJJ-ZCFIWIBFSA-N 0 0 305.094 2.397 10 30 DEEERN O=C(C#CBr)Nc1cncc(Br)c1 ZINC000306751090 356405133 /nfs/dbraw/zinc/40/51/33/356405133.db2.gz HLWUBUCOSYVHIE-UHFFFAOYSA-N 0 0 303.941 2.138 10 30 DEEERN O=C(C#CBr)NCc1csc(Br)c1 ZINC000307022382 356406995 /nfs/dbraw/zinc/40/69/95/356406995.db2.gz XKZXFEVADWTCBA-UHFFFAOYSA-N 0 0 323.009 2.483 10 30 DEEERN CC(C)(C#N)NC(=O)c1sccc1I ZINC000307726699 356409573 /nfs/dbraw/zinc/40/95/73/356409573.db2.gz DAARBTHUXUMWPE-UHFFFAOYSA-N 0 0 320.155 2.385 10 30 DEEERN CCN1CCN(C(=O)N[C@H](C)C(C)C)C[C@@H]1c1nccn1C ZINC000328616646 356460824 /nfs/dbraw/zinc/46/08/24/356460824.db2.gz BXVJGFYHBUIGPB-ZIAGYGMSSA-N 0 0 307.442 2.057 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1coc(-c2ccccc2)n1 ZINC000081548439 192288572 /nfs/dbraw/zinc/28/85/72/192288572.db2.gz BBOUIERMBIWKSD-UHFFFAOYSA-N 0 0 306.325 2.482 10 30 DEEERN C=CCOCCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000618522704 363515595 /nfs/dbraw/zinc/51/55/95/363515595.db2.gz QLMAQKMESWZXHG-HZPDHXFCSA-N 0 0 322.449 2.124 10 30 DEEERN C=CCOCCCNC(=O)c1ccn(CCc2ccccc2)n1 ZINC000618525185 363515822 /nfs/dbraw/zinc/51/58/22/363515822.db2.gz CVGVGHJYBYDYTO-UHFFFAOYSA-N 0 0 313.401 2.448 10 30 DEEERN C=C[C@@H]1OCC[C@H]1c1nc(-c2ncccc2-n2cccn2)no1 ZINC000351117017 356617249 /nfs/dbraw/zinc/61/72/49/356617249.db2.gz PHGPCEZPMHIHFA-YPMHNXCESA-N 0 0 309.329 2.376 10 30 DEEERN CC(C)c1ccc([C@H](C#N)C(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000086024593 192545831 /nfs/dbraw/zinc/54/58/31/192545831.db2.gz LHFPBNDUAUQYIK-CABCVRRESA-N 0 0 305.399 2.421 10 30 DEEERN N#Cc1ccc2c(c1)nc([C@H]1CCS(=O)(=O)C1)n2C1CC1 ZINC000086636621 192586110 /nfs/dbraw/zinc/58/61/10/192586110.db2.gz WBCJFFURBOJYBF-NSHDSACASA-N 0 0 301.371 2.145 10 30 DEEERN CCCn1c2ccc(C#N)cc2nc1[C@H]1CCS(=O)(=O)C1 ZINC000086635940 192586586 /nfs/dbraw/zinc/58/65/86/192586586.db2.gz UWPZHONTBHAZQL-LBPRGKRZSA-N 0 0 303.387 2.220 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)c2nccc3ccsc32)C1=O ZINC000626849477 366344681 /nfs/dbraw/zinc/34/46/81/366344681.db2.gz YLQBFDRQADYYQB-GFCCVEGCSA-N 0 0 315.398 2.155 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(C(C)C)CC1 ZINC000578552311 356836278 /nfs/dbraw/zinc/83/62/78/356836278.db2.gz PEWDQIAONFTBDJ-HNNXBMFYSA-N 0 0 320.437 2.424 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC(OC)(c2ccccc2)C1 ZINC000581306871 357164861 /nfs/dbraw/zinc/16/48/61/357164861.db2.gz KDIQDGBYKUTXAG-HOCLYGCPSA-N 0 0 316.401 2.145 10 30 DEEERN C=CCOCCCC(=O)Nc1cc2c(cc1C(=O)OC)OCO2 ZINC000276849938 213131917 /nfs/dbraw/zinc/13/19/17/213131917.db2.gz DLUCDDOFGDLIDC-UHFFFAOYSA-N 0 0 321.329 2.123 10 30 DEEERN C=CCn1c(N2CCO[C@](C)(CC)C2)nnc1[C@]1(C)CCCO1 ZINC000581708617 357234018 /nfs/dbraw/zinc/23/40/18/357234018.db2.gz ZVGIZAVJHPKADO-SJORKVTESA-N 0 0 320.437 2.495 10 30 DEEERN COC(=O)c1cc(C)nc(N2CCC[C@](C)(C#N)C2)c1[N+](=O)[O-] ZINC000588015986 357389125 /nfs/dbraw/zinc/38/91/25/357389125.db2.gz NTCWZDOGDNTADT-OAHLLOKOSA-N 0 0 318.333 2.215 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588039381 357390685 /nfs/dbraw/zinc/39/06/85/357390685.db2.gz UYUQSWCFQYHEHF-BMIGLBTASA-N 0 0 307.350 2.062 10 30 DEEERN CCOC1CC(N(C)C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000588339769 357408001 /nfs/dbraw/zinc/40/80/01/357408001.db2.gz MRZIGCVWKDKICJ-UHFFFAOYSA-N 0 0 305.353 2.406 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@@H](C(=O)OC)C(C)(C)C)cc1 ZINC000590669571 357577012 /nfs/dbraw/zinc/57/70/12/357577012.db2.gz YJTNZVBMVZFLIK-INIZCTEOSA-N 0 0 319.401 2.498 10 30 DEEERN C=CCNC(=O)[C@H](C)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592157599 357843090 /nfs/dbraw/zinc/84/30/90/357843090.db2.gz FTYQAALQOVHEKU-ZDUSSCGKSA-N 0 0 310.438 2.121 10 30 DEEERN C#CCOc1ccc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1 ZINC000179358919 199021310 /nfs/dbraw/zinc/02/13/10/199021310.db2.gz UCACEZMTWJTTQX-HNNXBMFYSA-N 0 0 310.357 2.184 10 30 DEEERN C=CCn1c(C)nnc1N1CCc2cccc(C(=O)OC)c2C1 ZINC000592395929 357872221 /nfs/dbraw/zinc/87/22/21/357872221.db2.gz CHSWKWCZPROYHQ-UHFFFAOYSA-N 0 0 312.373 2.122 10 30 DEEERN C=CCCOCCNC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000179330593 199016771 /nfs/dbraw/zinc/01/67/71/199016771.db2.gz NJDDDGSDCQKMIH-ZDUSSCGKSA-N 0 0 320.389 2.411 10 30 DEEERN C=CCn1cc(C(=O)Nc2scc(C)c2C(=O)OCC)nn1 ZINC000592571683 357903327 /nfs/dbraw/zinc/90/33/27/357903327.db2.gz BIBMEUKNVXWSSJ-UHFFFAOYSA-N 0 0 320.374 2.263 10 30 DEEERN CC#CCCCC(=O)NCC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000592677041 357923418 /nfs/dbraw/zinc/92/34/18/357923418.db2.gz LSYUPCPGKINECH-UHFFFAOYSA-N 0 0 323.433 2.435 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)NC[C@H](CC)C(=O)OC ZINC000592851371 357959324 /nfs/dbraw/zinc/95/93/24/357959324.db2.gz DBRLZLVVHYYLNU-LBPRGKRZSA-N 0 0 321.373 2.189 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCc2cccc(C(=O)OC)c2C1 ZINC000592886847 357969865 /nfs/dbraw/zinc/96/98/65/357969865.db2.gz CHURVIMJQYLSNG-ZDUSSCGKSA-N 0 0 317.385 2.339 10 30 DEEERN CCOc1ccccc1[C@H](CC)NC(=O)Cn1ccnc1C#N ZINC000179861852 199089021 /nfs/dbraw/zinc/08/90/21/199089021.db2.gz OBAYCKICNIEFTA-AWEZNQCLSA-N 0 0 312.373 2.421 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N(CC(=O)OC(C)(C)C)CC1CC1 ZINC000593822882 358152846 /nfs/dbraw/zinc/15/28/46/358152846.db2.gz OSLRYXWMUSXBOR-KGLIPLIRSA-N 0 0 309.406 2.158 10 30 DEEERN C=C[C@](C)(O)CC(=O)Nc1cncc(C(=O)OC(C)(C)C)c1 ZINC000594386554 358254126 /nfs/dbraw/zinc/25/41/26/358254126.db2.gz XBECVIUYOUFCBJ-INIZCTEOSA-N 0 0 306.362 2.303 10 30 DEEERN C=CCc1ccc(OC[C@H](O)CN2CC(CC#N)C2)c(OC)c1 ZINC000594716519 358324316 /nfs/dbraw/zinc/32/43/16/358324316.db2.gz RCUNTXKTXWDRTN-MRXNPFEDSA-N 0 0 316.401 2.009 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)CCCC(=O)OCC ZINC000594790933 358337413 /nfs/dbraw/zinc/33/74/13/358337413.db2.gz ZGMNVFNVCDXESI-ZIAGYGMSSA-N 0 0 317.451 2.384 10 30 DEEERN C=CCCS(=O)(=O)NC[C@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000595416702 358442433 /nfs/dbraw/zinc/44/24/33/358442433.db2.gz CMGKKBPCNXNAMQ-ZDUSSCGKSA-N 0 0 317.451 2.240 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)SC[C@@H](OC)[C@@H]1CCOC1 ZINC000596388948 358677455 /nfs/dbraw/zinc/67/74/55/358677455.db2.gz KVFMUUZXTGKQPL-RRFJBIMHSA-N 0 0 313.463 2.360 10 30 DEEERN C[C@@]1(C#N)CCN(c2ccc(I)cn2)C1 ZINC000596532731 358707824 /nfs/dbraw/zinc/70/78/24/358707824.db2.gz XGMWNQLRZYEMPL-NSHDSACASA-N 0 0 313.142 2.426 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)c1nc(CC(=O)OC(C)(C)C)no1 ZINC000596595269 358722101 /nfs/dbraw/zinc/72/21/01/358722101.db2.gz ZEZQRSAPINDSEI-NSHDSACASA-N 0 0 309.366 2.097 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cccnc1C(=O)OC(C)(C)C ZINC000596990427 358801255 /nfs/dbraw/zinc/80/12/55/358801255.db2.gz ZOYWXQGZPDMMGM-LLVKDONJSA-N 0 0 321.377 2.095 10 30 DEEERN C=C[C@H](O)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000597823682 359016827 /nfs/dbraw/zinc/01/68/27/359016827.db2.gz OXMRWOCHWMDOCR-XQHKEYJVSA-N 0 0 311.422 2.042 10 30 DEEERN C=CCOCCCNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000598207805 359122660 /nfs/dbraw/zinc/12/26/60/359122660.db2.gz ZZQZDCFYFJHWQA-UHFFFAOYSA-N 0 0 302.349 2.438 10 30 DEEERN C=CCOCCCNC(=O)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000598209300 359122687 /nfs/dbraw/zinc/12/26/87/359122687.db2.gz SGXKJWKGDLNKCW-UHFFFAOYSA-N 0 0 308.378 2.131 10 30 DEEERN Cc1ccc(NC(=O)N(C)[C@H](C)CC#N)cc1S(C)(=O)=O ZINC000089306749 192763906 /nfs/dbraw/zinc/76/39/06/192763906.db2.gz ZQVQKSIPEAXOOY-LLVKDONJSA-N 0 0 309.391 2.164 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598809306 359332041 /nfs/dbraw/zinc/33/20/41/359332041.db2.gz VLUJCVZUFROIBS-ZDUSSCGKSA-N 0 0 309.297 2.143 10 30 DEEERN C=CC(C)(C)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000599117859 359407238 /nfs/dbraw/zinc/40/72/38/359407238.db2.gz ZGGJJTLOKAHXGF-UHFFFAOYSA-N 0 0 313.379 2.256 10 30 DEEERN C=C[C@@H](C(=O)OC)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000599658371 359560183 /nfs/dbraw/zinc/56/01/83/359560183.db2.gz BCVPJBRJGLOVFJ-KRWDZBQOSA-N 0 0 313.401 2.013 10 30 DEEERN C=CCCn1cc(CN2[C@H](C)CC(C(=O)OC)C[C@H]2C)nn1 ZINC000599689366 359573184 /nfs/dbraw/zinc/57/31/84/359573184.db2.gz DXJPJKDOMQUGFZ-CHWSQXEVSA-N 0 0 306.410 2.016 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@H](CC(=O)OCC)C(F)(F)F)C1 ZINC000599806071 359600685 /nfs/dbraw/zinc/60/06/85/359600685.db2.gz OVYHGXXPBSUEKN-WDEREUQCSA-N 0 0 322.327 2.478 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(C#N)cc1OC ZINC000599993935 359631271 /nfs/dbraw/zinc/63/12/71/359631271.db2.gz BHWPTQCFDXGKNQ-UHFFFAOYSA-N 0 0 315.373 2.224 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC ZINC000599995601 359631432 /nfs/dbraw/zinc/63/14/32/359631432.db2.gz SOWTWOKRBQEHAP-UHFFFAOYSA-N 0 0 315.373 2.224 10 30 DEEERN CC1(C)CN(Cc2ccc(Cl)cc2C#N)CCS1(=O)=O ZINC000187155074 200068937 /nfs/dbraw/zinc/06/89/37/200068937.db2.gz ZKFFRKSDLFKXKD-UHFFFAOYSA-N 0 0 312.822 2.221 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000600137325 359659112 /nfs/dbraw/zinc/65/91/12/359659112.db2.gz AZQONPCLMDDUIJ-IIYDPXPESA-N 0 0 309.406 2.300 10 30 DEEERN CC(C)[C@@H]1C[C@H]1C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000187728604 200150465 /nfs/dbraw/zinc/15/04/65/200150465.db2.gz WLIWANDMMWLBBV-LSDHHAIUSA-N 0 0 309.373 2.429 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc2c1OCC2 ZINC000627649148 366579487 /nfs/dbraw/zinc/57/94/87/366579487.db2.gz LEYOKDBSCBETQB-OKILXGFUSA-N 0 0 312.369 2.270 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1cc(C)n([C@H]2CCOC2)c1C ZINC000627679508 366589241 /nfs/dbraw/zinc/58/92/41/366589241.db2.gz NHNAGYAJFATOIM-CABCVRRESA-N 0 0 306.406 2.123 10 30 DEEERN C=CCn1c(C)nnc1S[C@H](C)c1nc(C(=O)OC)co1 ZINC000601071177 359913010 /nfs/dbraw/zinc/91/30/10/359913010.db2.gz XBTAFIDTDOFMOK-MRVPVSSYSA-N 0 0 308.363 2.400 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cncc3c2CCCC3)C1 ZINC000627733520 366603184 /nfs/dbraw/zinc/60/31/84/366603184.db2.gz WRMBJIKSUBADBM-CYBMUJFWSA-N 0 0 313.401 2.324 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2scnc2C2CC2)C1 ZINC000627733697 366603811 /nfs/dbraw/zinc/60/38/11/366603811.db2.gz ANIIWFXNYDAFNO-SNVBAGLBSA-N 0 0 305.403 2.384 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)cc2OC)C1 ZINC000627735339 366604540 /nfs/dbraw/zinc/60/45/40/366604540.db2.gz QWMAEVHBSDHGCR-ZDUSSCGKSA-N 0 0 302.374 2.367 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cnn([C@H](C)C3CC3)c2)C1 ZINC000627734557 366604756 /nfs/dbraw/zinc/60/47/56/366604756.db2.gz WSJHABHIDHYOLC-CHWSQXEVSA-N 0 0 316.405 2.217 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000627735771 366604866 /nfs/dbraw/zinc/60/48/66/366604866.db2.gz BQJSDHAXBXCCLG-GFCCVEGCSA-N 0 0 318.373 2.067 10 30 DEEERN Cn1ccnc1CC1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188703493 200291276 /nfs/dbraw/zinc/29/12/76/200291276.db2.gz AJLNTLUMARQAMZ-UHFFFAOYSA-N 0 0 324.384 2.092 10 30 DEEERN C=CCCOCCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601134363 359935663 /nfs/dbraw/zinc/93/56/63/359935663.db2.gz APMFADCJUIZUBB-UHFFFAOYSA-N 0 0 308.260 2.352 10 30 DEEERN C=CCN(CCC#N)S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000601419405 360035691 /nfs/dbraw/zinc/03/56/91/360035691.db2.gz IJGARSPHTGXYKA-UHFFFAOYSA-N 0 0 315.782 2.296 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCN(CCC#N)CC1 ZINC000601619531 360089436 /nfs/dbraw/zinc/08/94/36/360089436.db2.gz LLPPVHDTOAABHB-HOTGVXAUSA-N 0 0 304.438 2.362 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1)C(=O)OC ZINC000601774236 360142940 /nfs/dbraw/zinc/14/29/40/360142940.db2.gz ZQDWRSXAEUDKET-HIFRSBDPSA-N 0 0 305.374 2.386 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(-c2ccc(C)o2)n[nH]1)C(=O)OC ZINC000601777679 360143641 /nfs/dbraw/zinc/14/36/41/360143641.db2.gz JIPLFMPVAGRREO-ZDUSSCGKSA-N 0 0 317.345 2.216 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(C)c(NC(C)=O)c1)C(=O)OC ZINC000601776909 360143779 /nfs/dbraw/zinc/14/37/79/360143779.db2.gz CZZWOMFZSGLGFE-HNNXBMFYSA-N 0 0 318.373 2.191 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(C#N)ccc1Cl)C(=O)OC ZINC000601781594 360145609 /nfs/dbraw/zinc/14/56/09/360145609.db2.gz JVELZVJJIIVHLF-ZDUSSCGKSA-N 0 0 306.749 2.449 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCSc1ccccn1)C(=O)OC ZINC000601781100 360145762 /nfs/dbraw/zinc/14/57/62/360145762.db2.gz GYECFHMYFLKQAP-GFCCVEGCSA-N 0 0 308.403 2.188 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H](C)OCCc1ccccc1)C(=O)OC ZINC000601781661 360146046 /nfs/dbraw/zinc/14/60/46/360146046.db2.gz KTPYCWYVPOMYFL-GOEBONIOSA-N 0 0 319.401 2.258 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(F)c(C#N)c(F)c1)C(=O)OC ZINC000601783207 360146674 /nfs/dbraw/zinc/14/66/74/360146674.db2.gz AKCWGGATPBONOR-ZDUSSCGKSA-N 0 0 308.284 2.074 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cccc2c1OCCCO2)C(=O)OC ZINC000601784085 360147495 /nfs/dbraw/zinc/14/74/95/360147495.db2.gz GRAMFXDIOZTFQH-ZDUSSCGKSA-N 0 0 319.357 2.086 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccoc1Br)C(=O)OC ZINC000601783925 360147609 /nfs/dbraw/zinc/14/76/09/360147609.db2.gz YHZVVINUXPFOQN-VIFPVBQESA-N 0 0 316.151 2.280 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cnn2cccc(Cl)c12)C(=O)OC ZINC000601784747 360147758 /nfs/dbraw/zinc/14/77/58/360147758.db2.gz MKHHJBDHPQRUTP-LBPRGKRZSA-N 0 0 321.764 2.225 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1OC)C(=O)OC ZINC000601784741 360147834 /nfs/dbraw/zinc/14/78/34/360147834.db2.gz LZQFAIVWHVBDIT-ZNMIVQPWSA-N 0 0 317.385 2.423 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cccc([C@H]2CCOC2)c1)C(=O)OC ZINC000601788214 360150576 /nfs/dbraw/zinc/15/05/76/360150576.db2.gz SHTSYTVSWOUQNU-JKSUJKDBSA-N 0 0 317.385 2.428 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cn(CC)nc1C1CC1)C(=O)OC ZINC000601790228 360151562 /nfs/dbraw/zinc/15/15/62/360151562.db2.gz ZCPZHWXYMPDHBV-ZDUSSCGKSA-N 0 0 305.378 2.018 10 30 DEEERN C=C(C)Cn1c(-c2ncccn2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC000601873269 360179741 /nfs/dbraw/zinc/17/97/41/360179741.db2.gz CJXFZIBIZBGMMF-UONOGXRCSA-N 0 0 323.404 2.440 10 30 DEEERN C=C(C)Cn1c(-c2ncccn2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC000601873264 360179932 /nfs/dbraw/zinc/17/99/32/360179932.db2.gz CJXFZIBIZBGMMF-KBPBESRZSA-N 0 0 323.404 2.440 10 30 DEEERN CC#CCCNC(=O)C(=O)Nc1ccccc1CCSC ZINC000602046337 360250479 /nfs/dbraw/zinc/25/04/79/360250479.db2.gz SFDUAIRZXQHYSE-UHFFFAOYSA-N 0 0 304.415 2.060 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)OC ZINC000602413300 360361202 /nfs/dbraw/zinc/36/12/02/360361202.db2.gz LNBZSZXLEFOVJF-GFCCVEGCSA-N 0 0 306.318 2.141 10 30 DEEERN C=CCCCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000619203406 363733578 /nfs/dbraw/zinc/73/35/78/363733578.db2.gz OOJHDHUAWBOXEB-UHFFFAOYSA-N 0 0 313.405 2.187 10 30 DEEERN CO[C@H]1C[C@@H](c2nc(C)no2)N(c2ncc(C#N)cc2Cl)C1 ZINC000190085194 200485887 /nfs/dbraw/zinc/48/58/87/200485887.db2.gz IBFOOQQJNOQHFB-JQWIXIFHSA-N 0 0 319.752 2.265 10 30 DEEERN C=C(C)C[C@H](N[C@@H]1CC[C@H](C(=O)OCC)[C@@H](C)C1)C(=O)OC ZINC000602733452 360523750 /nfs/dbraw/zinc/52/37/50/360523750.db2.gz IIKPQLHEXNZRJN-XGUBFFRZSA-N 0 0 311.422 2.452 10 30 DEEERN C=C(C)C[C@@H](NCc1cc(OC)c(O)c(OC)c1)C(=O)OC ZINC000602732952 360524175 /nfs/dbraw/zinc/52/41/75/360524175.db2.gz FFRPHXRRQBISKC-GFCCVEGCSA-N 0 0 309.362 2.007 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)c1cccc(Nc2nccc(C)n2)c1 ZINC000627977300 366682046 /nfs/dbraw/zinc/68/20/46/366682046.db2.gz MIGOFVDWJPRYLY-INIZCTEOSA-N 0 0 324.384 2.033 10 30 DEEERN C=C(C)[C@H](CO)N[C@@H](Cc1cccc(Cl)c1)C(=O)OCC ZINC000602937232 360634398 /nfs/dbraw/zinc/63/43/98/360634398.db2.gz IFYMJUIWBRFAQP-GJZGRUSLSA-N 0 0 311.809 2.341 10 30 DEEERN N#CC1CCC(CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 ZINC000443220519 238109389 /nfs/dbraw/zinc/10/93/89/238109389.db2.gz ACIBOMFYAXNAAJ-UHFFFAOYSA-N 0 0 320.414 2.325 10 30 DEEERN CC#CCN(C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000603108233 360703862 /nfs/dbraw/zinc/70/38/62/360703862.db2.gz FZJYYWCRTKQCNZ-LSDHHAIUSA-N 0 0 300.358 2.450 10 30 DEEERN C=C(C)CNC(=O)c1ncc(I)s1 ZINC000603430547 360829707 /nfs/dbraw/zinc/82/97/07/360829707.db2.gz HZQYKYPZIIEPCQ-UHFFFAOYSA-N 0 0 308.144 2.054 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000628038197 366698797 /nfs/dbraw/zinc/69/87/97/366698797.db2.gz XPGXJMNOXXGPCT-RBSFLKMASA-N 0 0 318.421 2.179 10 30 DEEERN N#Cc1cc(C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)ccn1 ZINC000193283950 201020125 /nfs/dbraw/zinc/02/01/25/201020125.db2.gz VRGPGXWFPCTGCV-OAHLLOKOSA-N 0 0 324.359 2.491 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2[nH+]ccn2c1 ZINC000610032619 361354289 /nfs/dbraw/zinc/35/42/89/361354289.db2.gz OKHXHPZLHFEJDB-UHFFFAOYSA-N 0 0 312.354 2.315 10 30 DEEERN CC(C)(CO)[C@@H](CNC(=O)c1ccnc(C#N)c1)c1ccccc1 ZINC000193630468 201090966 /nfs/dbraw/zinc/09/09/66/201090966.db2.gz YJZGWVBUJKMIPL-KRWDZBQOSA-N 0 0 323.396 2.485 10 30 DEEERN CC(C)[C@@H](NC(=O)c1ccnc(C#N)c1)C(=O)OC(C)(C)C ZINC000193565197 201074738 /nfs/dbraw/zinc/07/47/38/201074738.db2.gz PVQWMYXOQWQLPP-CYBMUJFWSA-N 0 0 303.362 2.049 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2cnn(C[C@H]3CCCO3)c2)c1 ZINC000610520376 361414895 /nfs/dbraw/zinc/41/48/95/361414895.db2.gz REDXUVMFYAJCEG-MRXNPFEDSA-N 0 0 310.357 2.115 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000628318175 366807307 /nfs/dbraw/zinc/80/73/07/366807307.db2.gz RNXZQIZCZZTCKL-UHFFFAOYSA-N 0 0 303.362 2.167 10 30 DEEERN C=CC(C)(C)CCNC(=O)Cn1cnc2sccc2c1=O ZINC000628317876 366807893 /nfs/dbraw/zinc/80/78/93/366807893.db2.gz DCVMOBGUOUOASQ-UHFFFAOYSA-N 0 0 305.403 2.177 10 30 DEEERN CCCN(C(=O)c1ccnc(C#N)c1)[C@H](CC)C(=O)OCC ZINC000194343657 201206469 /nfs/dbraw/zinc/20/64/69/201206469.db2.gz OHMPHOAFJUATME-CQSZACIVSA-N 0 0 303.362 2.147 10 30 DEEERN COC(=O)c1[nH]c(C)cc1NC(=O)N1CCC(C)(C#N)CC1 ZINC000611557202 361629550 /nfs/dbraw/zinc/62/95/50/361629550.db2.gz AWPQFZNUBJELKE-UHFFFAOYSA-N 0 0 304.350 2.267 10 30 DEEERN CC1(C#N)CCN(C(=O)NCc2cc3c([nH]c2=O)CCC3)CC1 ZINC000611562439 361632453 /nfs/dbraw/zinc/63/24/53/361632453.db2.gz MYLIQVVYNOLTAZ-UHFFFAOYSA-N 0 0 314.389 2.111 10 30 DEEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCCOC(C)(C)C1 ZINC000611541921 361625800 /nfs/dbraw/zinc/62/58/00/361625800.db2.gz JOAGVIQDHUNDDR-QGZVFWFLSA-N 0 0 324.421 2.276 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)C ZINC000612009075 361723520 /nfs/dbraw/zinc/72/35/20/361723520.db2.gz SMQCWDWKCHKBCY-HRCADAONSA-N 0 0 310.438 2.025 10 30 DEEERN CO[C@H]1CCCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000611951229 361711374 /nfs/dbraw/zinc/71/13/74/361711374.db2.gz PFJVKYZLQPADKA-AWEZNQCLSA-N 0 0 305.353 2.408 10 30 DEEERN C[C@H](C(=O)N1CC(C)(C)[C@H]1c1ccccc1)n1cnc(C#N)n1 ZINC000619588428 363835760 /nfs/dbraw/zinc/83/57/60/363835760.db2.gz ABASPMUVVIEKSG-IUODEOHRSA-N 0 0 309.373 2.320 10 30 DEEERN CSCc1cccc(NC(=O)[C@H](C)n2cnc(C#N)n2)c1 ZINC000619591804 363835055 /nfs/dbraw/zinc/83/50/55/363835055.db2.gz NPMKLMJSGZFXND-JTQLQIEISA-N 0 0 301.375 2.212 10 30 DEEERN C[C@H](C(=O)N1CCC[C@H]1/C=C\c1ccccc1)n1cnc(C#N)n1 ZINC000619598846 363837882 /nfs/dbraw/zinc/83/78/82/363837882.db2.gz RGRIUSXELKKPKH-NRXPATIISA-N 0 0 321.384 2.415 10 30 DEEERN CN(Cc1cnccn1)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619826713 363881086 /nfs/dbraw/zinc/88/10/86/363881086.db2.gz HCFSZWLXTZANQD-UHFFFAOYSA-N 0 0 315.764 2.343 10 30 DEEERN C=CCC1(C(=O)NCCN2C[C@H]3CCCCN3C2=O)CCC1 ZINC000620104676 363957079 /nfs/dbraw/zinc/95/70/79/363957079.db2.gz DWKUZPRIWZWMNK-CQSZACIVSA-N 0 0 305.422 2.139 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)CCOCC1 ZINC000620407198 364037058 /nfs/dbraw/zinc/03/70/58/364037058.db2.gz OLMMUUQOPUHTAE-OAHLLOKOSA-N 0 0 322.449 2.123 10 30 DEEERN C=C[C@H](CO)NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000620592083 364087875 /nfs/dbraw/zinc/08/78/75/364087875.db2.gz JVKJTOFVNOZGPW-DGCLKSJQSA-N 0 0 310.191 2.142 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000620782411 364156366 /nfs/dbraw/zinc/15/63/66/364156366.db2.gz FXPQXJILLSVIRL-DGCLKSJQSA-N 0 0 309.328 2.395 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000628481966 366862777 /nfs/dbraw/zinc/86/27/77/366862777.db2.gz AFAVIXRWQVJLAW-ZDUSSCGKSA-N 0 0 312.369 2.097 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)C1 ZINC000628485531 366864167 /nfs/dbraw/zinc/86/41/67/366864167.db2.gz NJLAVJHWSIHHJG-ZDUSSCGKSA-N 0 0 313.405 2.465 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)C1 ZINC000628485723 366864223 /nfs/dbraw/zinc/86/42/23/366864223.db2.gz ROANVEXEHTYNTL-CYBMUJFWSA-N 0 0 322.430 2.405 10 30 DEEERN C=CC[C@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000628485172 366864275 /nfs/dbraw/zinc/86/42/75/366864275.db2.gz DOJVHQVHUHLCTF-KBPBESRZSA-N 0 0 302.374 2.053 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2ccc(C)c(S(C)(=O)=O)c2)C1 ZINC000628485600 366864282 /nfs/dbraw/zinc/86/42/82/366864282.db2.gz PEPHQBSVLQRDQJ-CYBMUJFWSA-N 0 0 307.415 2.437 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)C1 ZINC000628492830 366866602 /nfs/dbraw/zinc/86/66/02/366866602.db2.gz CNMVUPCNOYSUMA-UPJWGTAASA-N 0 0 321.339 2.395 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(N(C)C)cc1C ZINC000622783170 364796414 /nfs/dbraw/zinc/79/64/14/364796414.db2.gz GCBJSWGUCYJRDG-INIZCTEOSA-N 0 0 303.406 2.470 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000622948476 364838668 /nfs/dbraw/zinc/83/86/68/364838668.db2.gz IHMUVLYONHCLGJ-LZLYRXPVSA-N 0 0 319.449 2.476 10 30 DEEERN CCOC(=O)c1sc(NC(=O)c2ccc(C#N)n2C)nc1C ZINC000449236845 240230393 /nfs/dbraw/zinc/23/03/93/240230393.db2.gz ZIZMGHFEDACVPJ-UHFFFAOYSA-N 0 0 318.358 2.091 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCCNC(=O)c2ccc(C)cc2)C1 ZINC000623597106 365094607 /nfs/dbraw/zinc/09/46/07/365094607.db2.gz WYRKPKWXPFTUKT-HNNXBMFYSA-N 0 0 315.417 2.332 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2cccc(-n3cncn3)c2)C1 ZINC000623624866 365106296 /nfs/dbraw/zinc/10/62/96/365106296.db2.gz BXZZCLZACWQWPB-CQSZACIVSA-N 0 0 311.389 2.375 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NC2CCN(CC(F)F)CC2)C1 ZINC000623562757 365080015 /nfs/dbraw/zinc/08/00/15/365080015.db2.gz BIXQOJRDVLMFME-GFCCVEGCSA-N 0 0 301.381 2.324 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000623770580 365168093 /nfs/dbraw/zinc/16/80/93/365168093.db2.gz OOKIBOYAMHUSBH-GOEBONIOSA-N 0 0 319.449 2.385 10 30 DEEERN C[C@]1(C(=O)N[C@@H]2CN(c3ccccc3)C2=O)CCC(=O)NC1 ZINC000328696355 291346517 /nfs/dbraw/zinc/34/65/17/291346517.db2.gz DGKHILBCANWRQM-WBMJQRKESA-N 0 0 301.346 2.115 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2ncnn2-c2ccccc2)C1 ZINC000623952819 365231870 /nfs/dbraw/zinc/23/18/70/365231870.db2.gz CSQILVHMPNGOGY-AWEZNQCLSA-N 0 0 311.389 2.375 10 30 DEEERN CSC1(C#N)CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC000091473188 193061671 /nfs/dbraw/zinc/06/16/71/193061671.db2.gz LDTPQWDTCFZUSR-CQSZACIVSA-N 0 0 302.399 2.238 10 30 DEEERN C=CCCNC(=O)NC[C@H]1CCN1Cc1ccc(OC)cc1 ZINC000624345862 365389605 /nfs/dbraw/zinc/38/96/05/365389605.db2.gz YHRWVFOKQJUAEG-OAHLLOKOSA-N 0 0 303.406 2.145 10 30 DEEERN COc1ccc(Br)cc1[C@@H](O)[C@@]1(C#N)CCOC1 ZINC000091879593 193121702 /nfs/dbraw/zinc/12/17/02/193121702.db2.gz DSXPCPVMTOYJRA-CHWSQXEVSA-N 0 0 312.163 2.421 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000624464285 365430174 /nfs/dbraw/zinc/43/01/74/365430174.db2.gz SXANFYMJYHMNPM-UHFFFAOYSA-N 0 0 321.400 2.050 10 30 DEEERN CC1CCN(C(=O)NCc2ccc(C#CCCO)s2)CC1 ZINC000091992380 193138413 /nfs/dbraw/zinc/13/84/13/193138413.db2.gz KZDQDPAUYNQGOW-UHFFFAOYSA-N 0 0 306.431 2.424 10 30 DEEERN C=CCSc1ccccc1C(=O)NC[C@H](O)[C@H]1CCCO1 ZINC000628592936 366891055 /nfs/dbraw/zinc/89/10/55/366891055.db2.gz BCWIRBAMDADZHZ-UONOGXRCSA-N 0 0 307.415 2.234 10 30 DEEERN C=CCC1(C(=O)NC[C@H]2CCCN2CC(F)F)CCOCC1 ZINC000628631816 366908188 /nfs/dbraw/zinc/90/81/88/366908188.db2.gz OZZUSSURBFMLHY-CYBMUJFWSA-N 0 0 316.392 2.205 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cncc(OCCC)c1 ZINC000628822143 366980471 /nfs/dbraw/zinc/98/04/71/366980471.db2.gz OQVFUZDBGCMHLY-OAHLLOKOSA-N 0 0 305.378 2.280 10 30 DEEERN COc1ccccc1O[C@@H](C)CNC(=O)c1ccc(C#N)n1C ZINC000449973131 241316094 /nfs/dbraw/zinc/31/60/94/241316094.db2.gz HWWSWWOYFHGVNY-LBPRGKRZSA-N 0 0 313.357 2.103 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CCCC1 ZINC000450032522 241366180 /nfs/dbraw/zinc/36/61/80/241366180.db2.gz MCUQJDCXXNORQU-OAHLLOKOSA-N 0 0 320.433 2.019 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000629272165 367145012 /nfs/dbraw/zinc/14/50/12/367145012.db2.gz TWYCIUDUHMKKEV-NUEKZKHPSA-N 0 0 322.355 2.408 10 30 DEEERN C=C[C@H](O)C(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC000629739628 367321897 /nfs/dbraw/zinc/32/18/97/367321897.db2.gz DQDVSNKHMQHWAO-LBPRGKRZSA-N 0 0 314.154 2.020 10 30 DEEERN Cc1ccc(CN(C)S(=O)(=O)c2ccc(CC#N)cc2)o1 ZINC000092131157 193166112 /nfs/dbraw/zinc/16/61/12/193166112.db2.gz QCQZTGUIKQFWSX-UHFFFAOYSA-N 0 0 304.371 2.475 10 30 DEEERN C=C1CC(C)(C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)C1 ZINC000630682549 367792015 /nfs/dbraw/zinc/79/20/15/367792015.db2.gz WSNYNRIGQWRKEL-UHFFFAOYSA-N 0 0 313.357 2.033 10 30 DEEERN C=C1CC(C)(C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)C1 ZINC000630891969 367899778 /nfs/dbraw/zinc/89/97/78/367899778.db2.gz GTQYDRAYZPRRQN-UHFFFAOYSA-N 0 0 313.361 2.274 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000630965157 367939296 /nfs/dbraw/zinc/93/92/96/367939296.db2.gz NWBKCMCJFGWUBL-ZDUSSCGKSA-N 0 0 318.373 2.133 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2cccc(OC)c2OC)C1=O ZINC000630967822 367941446 /nfs/dbraw/zinc/94/14/46/367941446.db2.gz QDXIOSNOWIIKQL-GFCCVEGCSA-N 0 0 304.346 2.090 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccc(OC)cc2OC)C1=O ZINC000630969123 367942710 /nfs/dbraw/zinc/94/27/10/367942710.db2.gz YPZFCKSLXSZFAW-ZDUSSCGKSA-N 0 0 304.346 2.090 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H](CCOC)Cc2ccco2)C1=O ZINC000630975868 367946341 /nfs/dbraw/zinc/94/63/41/367946341.db2.gz AFLLHDGCCJCXSW-GXTWGEPZSA-N 0 0 306.362 2.114 10 30 DEEERN C=C(CN1C(=O)N2C[C@H](OC)C[C@@]2(C)C1=O)c1ccccc1 ZINC000630982525 367949384 /nfs/dbraw/zinc/94/93/84/367949384.db2.gz NSWDWTYFQXGOFF-PBHICJAKSA-N 0 0 300.358 2.141 10 30 DEEERN CC[C@H](C#N)N1CCN(C(=O)c2ccccc2SC)CC1 ZINC000092213129 193173362 /nfs/dbraw/zinc/17/33/62/193173362.db2.gz QGVKJESEBTXHPC-CYBMUJFWSA-N 0 0 303.431 2.468 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NCCC(C)(F)F)cc2C1=O ZINC000452209641 244050983 /nfs/dbraw/zinc/05/09/83/244050983.db2.gz REHYYFAPNVYASA-UHFFFAOYSA-N 0 0 322.311 2.244 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275052251 212096140 /nfs/dbraw/zinc/09/61/40/212096140.db2.gz GVPVHCSDWZPURF-WDEREUQCSA-N 0 0 306.328 2.116 10 30 DEEERN CNS(=O)(=O)c1ccccc1NCc1cc(C#N)cs1 ZINC000093687101 193289247 /nfs/dbraw/zinc/28/92/47/193289247.db2.gz YZSWIIOROMWEAY-UHFFFAOYSA-N 0 0 307.400 2.140 10 30 DEEERN CN[C@@]1(C#N)CCC[C@@H](Sc2nnnn2C2CCCC2)C1 ZINC000093746913 193299821 /nfs/dbraw/zinc/29/98/21/193299821.db2.gz OJOGANPUTPTSFY-OCCSQVGLSA-N 0 0 306.439 2.305 10 30 DEEERN CCN(C[C@H]1CCCO1)C(=O)c1csc(C#CCCO)c1 ZINC000093974286 193333397 /nfs/dbraw/zinc/33/33/97/193333397.db2.gz QJVPEXUBCQKWJN-CQSZACIVSA-N 0 0 307.415 2.123 10 30 DEEERN Cc1cc(C(=O)N[C@@H](C)[C@H]2CCCO2)sc1C#CCCO ZINC000094533728 193377762 /nfs/dbraw/zinc/37/77/62/193377762.db2.gz RFKCQZAMMJGPHK-QWHCGFSZSA-N 0 0 307.415 2.088 10 30 DEEERN CC(C)(C)OC(=O)N1CCCCC[C@@H]1[C@@H](C#N)S(C)(=O)=O ZINC000094711596 193392854 /nfs/dbraw/zinc/39/28/54/193392854.db2.gz IXIZOVPVMQHDSF-VXGBXAGGSA-N 0 0 316.423 2.103 10 30 DEEERN CC(=O)c1ccc(C#CCNC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000096346321 193615015 /nfs/dbraw/zinc/61/50/15/193615015.db2.gz XWUWVJWXSZBCIB-UHFFFAOYSA-N 0 0 312.281 2.172 10 30 DEEERN CN(C)c1ccc(C#CCNC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000096350529 193615706 /nfs/dbraw/zinc/61/57/06/193615706.db2.gz AWJYRLWGLUISGK-UHFFFAOYSA-N 0 0 313.313 2.035 10 30 DEEERN O=S(=O)(NCC#Cc1ccc(F)cc1)c1cccc(F)c1 ZINC000096351392 193615734 /nfs/dbraw/zinc/61/57/34/193615734.db2.gz IMZCZQAIXZCSTC-UHFFFAOYSA-N 0 0 307.321 2.295 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N(C)CC(C)(C)CO ZINC000453844815 245319795 /nfs/dbraw/zinc/31/97/95/245319795.db2.gz VSMJMLNIKZKYRK-UHFFFAOYSA-N 0 0 318.417 2.221 10 30 DEEERN CN(CCC#N)CC(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000021519248 182277764 /nfs/dbraw/zinc/27/77/64/182277764.db2.gz JAMYAXGYPKXTCB-UHFFFAOYSA-N 0 0 301.177 2.360 10 30 DEEERN Cn1cc(Cl)c(CNC(=O)NCC2CCC(C#N)CC2)n1 ZINC000454904463 246241383 /nfs/dbraw/zinc/24/13/83/246241383.db2.gz GFXRFEZKYATLFD-UHFFFAOYSA-N 0 0 309.801 2.203 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cccc(CC#N)c1 ZINC000190722805 291627922 /nfs/dbraw/zinc/62/79/22/291627922.db2.gz JFQCEOJSQYGTMI-OAGGEKHMSA-N 0 0 312.369 2.166 10 30 DEEERN C[C@H](C(=O)NC1(C(C)(C)c2ccccc2)CC1)n1cnc(C#N)n1 ZINC000456817358 247439056 /nfs/dbraw/zinc/43/90/56/247439056.db2.gz SEYDAALZGUVOCZ-CYBMUJFWSA-N 0 0 323.400 2.337 10 30 DEEERN Cc1ccc(S(=O)(=O)N(C)CCC#N)c(Br)c1 ZINC000037409492 182888581 /nfs/dbraw/zinc/88/85/81/182888581.db2.gz ZNBFLFCPPCBYLS-UHFFFAOYSA-N 0 0 317.208 2.292 10 30 DEEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC(C)(C)CC#N ZINC000457999002 248106062 /nfs/dbraw/zinc/10/60/62/248106062.db2.gz YEUZWTZUYAMACM-INIZCTEOSA-N 0 0 307.394 2.304 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@H](COC)c1ccc(F)cc1 ZINC000458469256 248324197 /nfs/dbraw/zinc/32/41/97/248324197.db2.gz OJNDNOKASLBEKX-HUUCEWRRSA-N 0 0 310.369 2.140 10 30 DEEERN C=CCOCC(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000464987651 248697132 /nfs/dbraw/zinc/69/71/32/248697132.db2.gz UKXVDOVWUQGSFF-GJZGRUSLSA-N 0 0 309.406 2.159 10 30 DEEERN Cc1cc(C)cc(Oc2ncnc(N(CC#N)CC#N)c2N)c1 ZINC000040681350 183117091 /nfs/dbraw/zinc/11/70/91/183117091.db2.gz KDIRMQCMFLNISQ-UHFFFAOYSA-N 0 0 308.345 2.322 10 30 DEEERN Cn1cc(/C=N/NS(=O)(=O)c2ccccc2)c2ccccc21 ZINC000040570741 183103963 /nfs/dbraw/zinc/10/39/63/183103963.db2.gz OQFDPJQBVUTDDO-GZTJUZNOSA-N 0 0 313.382 2.491 10 30 DEEERN CN(c1ccccc1)c1ncnc(N(CC#N)CC#N)c1[N+](=O)[O-] ZINC000040617909 183109877 /nfs/dbraw/zinc/10/98/77/183109877.db2.gz UTTDKHHCUNXZSM-UHFFFAOYSA-N 0 0 323.316 2.006 10 30 DEEERN C=CCNC(=O)c1cc2ccc(OC(=O)CC)cc2oc1=O ZINC000040890993 183146093 /nfs/dbraw/zinc/14/60/93/183146093.db2.gz XWGZDEUNGUJUCY-UHFFFAOYSA-N 0 0 301.298 2.024 10 30 DEEERN COc1cccc([C@H](C#N)N2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC000041258959 183181950 /nfs/dbraw/zinc/18/19/50/183181950.db2.gz NAGZVHVHBKZBLP-INIZCTEOSA-N 0 0 315.417 2.450 10 30 DEEERN C=C1CC(CNC(=O)c2cn3cc(Br)cnc3n2)C1 ZINC000042750438 183304233 /nfs/dbraw/zinc/30/42/33/183304233.db2.gz IQSOCQQTPAKSLU-UHFFFAOYSA-N 0 0 321.178 2.188 10 30 DEEERN COC[C@H]1CN(CCOc2ccccc2C#N)CC(C)(C)O1 ZINC000284435964 218026659 /nfs/dbraw/zinc/02/66/59/218026659.db2.gz BEXGQVWUFRRHFW-OAHLLOKOSA-N 0 0 304.390 2.063 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@@H](c2ccco2)c2ccccc2)CCO1 ZINC000106329511 194196879 /nfs/dbraw/zinc/19/68/79/194196879.db2.gz HALASNXXPOHAPE-GDBMZVCRSA-N 0 0 311.341 2.303 10 30 DEEERN Cc1csc(=O)n1CCOc1ccc(C#CCCO)cc1 ZINC000049619333 183748646 /nfs/dbraw/zinc/74/86/46/183748646.db2.gz VXGJENUJEBFDKJ-UHFFFAOYSA-N 0 0 303.383 2.031 10 30 DEEERN C[C@H](C#N)N1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000109453186 194264292 /nfs/dbraw/zinc/26/42/92/194264292.db2.gz RHPVDRSMAQJOQX-LLVKDONJSA-N 0 0 308.769 2.278 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273553566 210863429 /nfs/dbraw/zinc/86/34/29/210863429.db2.gz XYACVIJCQDZSJX-OAGGEKHMSA-N 0 0 322.380 2.282 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(-c2n[nH]c(C)n2)ccc1C ZINC000273470349 210799794 /nfs/dbraw/zinc/79/97/94/210799794.db2.gz RXKQBORBPAEPMU-ZDUSSCGKSA-N 0 0 315.377 2.147 10 30 DEEERN CCn1cnnc1[C@H]1CCCN(C(=O)c2sccc2C#N)C1 ZINC000110756574 194357146 /nfs/dbraw/zinc/35/71/46/194357146.db2.gz RWAOTDLAAVIYIF-LBPRGKRZSA-N 0 0 315.402 2.251 10 30 DEEERN CSC[C@H](C)N(C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000157265025 197175083 /nfs/dbraw/zinc/17/50/83/197175083.db2.gz HSTZWZSXWMYPBG-LBPRGKRZSA-N 0 0 312.460 2.015 10 30 DEEERN N#CC1(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CCCCC1 ZINC000057389153 184037128 /nfs/dbraw/zinc/03/71/28/184037128.db2.gz MYNGYAZHVNUMEX-AWEZNQCLSA-N 0 0 313.405 2.036 10 30 DEEERN O=C(Nc1cc(Cl)ccc1F)c1ccc(C#CCO)cn1 ZINC000061861447 184190100 /nfs/dbraw/zinc/19/01/00/184190100.db2.gz CCFFSBIBQUGCSI-UHFFFAOYSA-N 0 0 304.708 2.470 10 30 DEEERN CC(C)n1c(Sc2nc3c(cc2C#N)CCC3)n[nH]c1=O ZINC000061595350 184176595 /nfs/dbraw/zinc/17/65/95/184176595.db2.gz FHSRRBUQMAIIEL-UHFFFAOYSA-N 0 0 301.375 2.059 10 30 DEEERN CCCn1c(SCCC[C@@](C)(C#N)NC(C)C)n[nH]c1=O ZINC000061607380 184177878 /nfs/dbraw/zinc/17/78/78/184177878.db2.gz XFMRPXYXJILWHH-AWEZNQCLSA-N 0 0 311.455 2.134 10 30 DEEERN CCn1c(SCCCC[C@@](C)(C#N)NC(C)C)n[nH]c1=O ZINC000061607196 184178131 /nfs/dbraw/zinc/17/81/31/184178131.db2.gz APRTYTKSHNCEAZ-AWEZNQCLSA-N 0 0 311.455 2.134 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCC(=O)OC ZINC000062896921 184258779 /nfs/dbraw/zinc/25/87/79/184258779.db2.gz OSKMBGSQMCUFBS-UHFFFAOYSA-N 0 0 306.318 2.063 10 30 DEEERN C[C@H](CC#N)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000063092792 184270381 /nfs/dbraw/zinc/27/03/81/184270381.db2.gz PDDZJGYUJXSHMR-MRVPVSSYSA-N 0 0 317.754 2.171 10 30 DEEERN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1nncs1 ZINC000063777346 184288924 /nfs/dbraw/zinc/28/89/24/184288924.db2.gz OYMKUGIGLAKARN-UHFFFAOYSA-N 0 0 317.374 2.090 10 30 DEEERN C=CCN(CC=C)CC(=O)Nc1cccc(OCCOC)c1 ZINC000066215789 184397174 /nfs/dbraw/zinc/39/71/74/184397174.db2.gz NQGISXQMMIZDDO-UHFFFAOYSA-N 0 0 304.390 2.324 10 30 DEEERN C#CC[C@@H](NC(=O)N1CCN(CC(F)F)CC1)c1ccccc1 ZINC000270378017 208457881 /nfs/dbraw/zinc/45/78/81/208457881.db2.gz FLUQESSWLTXDRG-OAHLLOKOSA-N 0 0 321.371 2.343 10 30 DEEERN Cc1ccc(C#CCO)cc1C(=O)N1CCSC(C)(C)C1 ZINC000159026011 197319619 /nfs/dbraw/zinc/31/96/19/197319619.db2.gz AWOKBYKEYGMQAM-UHFFFAOYSA-N 0 0 303.427 2.306 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cccc(CC#N)c1 ZINC000190722843 533088454 /nfs/dbraw/zinc/08/84/54/533088454.db2.gz JFQCEOJSQYGTMI-PMPSAXMXSA-N 0 0 312.369 2.166 10 30 DEEERN CC#CCNc1c(Br)cnn(CC2CCC2)c1=O ZINC000158546962 197283048 /nfs/dbraw/zinc/28/30/48/197283048.db2.gz ITEOHNNEYHORPV-UHFFFAOYSA-N 0 0 310.195 2.241 10 30 DEEERN C=CCn1ncc(NN2CCCCC2)c(Br)c1=O ZINC000158332677 197263694 /nfs/dbraw/zinc/26/36/94/197263694.db2.gz LDHGABHUPKNXGC-UHFFFAOYSA-N 0 0 313.199 2.005 10 30 DEEERN CC#CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1 ZINC000158427542 197272180 /nfs/dbraw/zinc/27/21/80/197272180.db2.gz UVAZBXYLUAFYJK-UHFFFAOYSA-N 0 0 308.768 2.001 10 30 DEEERN N#C[C@@]1(Cc2cc(Cl)ccc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000157586673 197200032 /nfs/dbraw/zinc/20/00/32/197200032.db2.gz IDXIDTNMGGLNEW-LBPRGKRZSA-N 0 0 314.750 2.119 10 30 DEEERN N#C[C@]1([C@@H](O)c2ccccc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000157643646 197204328 /nfs/dbraw/zinc/20/43/28/197204328.db2.gz XWBMDVKLSHMJOY-NWDGAFQWSA-N 0 0 319.304 2.067 10 30 DEEERN CCN(CCC#N)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1 ZINC000157416591 197185728 /nfs/dbraw/zinc/18/57/28/197185728.db2.gz NINOYCLVKMFRIP-UHFFFAOYSA-N 0 0 323.783 2.234 10 30 DEEERN COc1cnccc1[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000189147165 533141618 /nfs/dbraw/zinc/14/16/18/533141618.db2.gz JFBCTJATWTYEOT-LLVKDONJSA-N 0 0 317.370 2.001 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccc([S@](C)=O)c(F)c1 ZINC000156405854 197111339 /nfs/dbraw/zinc/11/13/39/197111339.db2.gz FUULVAUQMOLLNS-OAQYLSRUSA-N 0 0 305.334 2.026 10 30 DEEERN Cc1ccc(C#CCCO)cc1C(=O)NC[C@H]1CCCS1 ZINC000155931044 197076144 /nfs/dbraw/zinc/07/61/44/197076144.db2.gz VIQANZDQTFYWKR-OAHLLOKOSA-N 0 0 303.427 2.354 10 30 DEEERN CN(Cc1cnc2ccc(C#N)cn12)Cc1nccn1C(F)F ZINC000154989682 197011118 /nfs/dbraw/zinc/01/11/18/197011118.db2.gz JGNRKEMEJVTALX-UHFFFAOYSA-N 0 0 316.315 2.430 10 30 DEEERN CC[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1nccs1 ZINC000120375712 195155112 /nfs/dbraw/zinc/15/51/12/195155112.db2.gz LMTFAGHFDGGPTJ-LBPRGKRZSA-N 0 0 314.370 2.221 10 30 DEEERN N#C[C@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)C1CC1 ZINC000108836056 224571008 /nfs/dbraw/zinc/57/10/08/224571008.db2.gz CHTATRUWVFNCDM-AWEZNQCLSA-N 0 0 319.792 2.268 10 30 DEEERN C[C@@H]1[C@H](n2ccnc2)CCc2nc(NC(=O)C(F)(F)F)nn21 ZINC000074380827 184979923 /nfs/dbraw/zinc/97/99/23/184979923.db2.gz UGZCLZOKXJCKOH-HTQZYQBOSA-N 0 0 314.271 2.373 10 30 DEEERN C=CC1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000125008601 195703097 /nfs/dbraw/zinc/70/30/97/195703097.db2.gz BBYBYRVQMRBYIN-UHFFFAOYSA-N 0 0 310.375 2.401 10 30 DEEERN CC(C)(C)[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)C[C@H]1O ZINC000329849379 404471273 /nfs/dbraw/zinc/47/12/73/404471273.db2.gz NRPCULRBBYEQAD-KBUPBQIOSA-N 0 0 310.438 2.197 10 30 DEEERN COc1cccc(C(=O)NCCNc2ccc(C)c(C#N)n2)c1 ZINC000302677076 533407562 /nfs/dbraw/zinc/40/75/62/533407562.db2.gz UYKSHUMURYOEFZ-UHFFFAOYSA-N 0 0 310.357 2.112 10 30 DEEERN COc1cccc(CCNC(=O)Nc2ccc(F)cc2C#N)n1 ZINC000441106171 533462886 /nfs/dbraw/zinc/46/28/86/533462886.db2.gz XSLGGFLTTQHQDT-UHFFFAOYSA-N 0 0 314.320 2.465 10 30 DEEERN N#Cc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cn1 ZINC000115315100 134838698 /nfs/dbraw/zinc/83/86/98/134838698.db2.gz FHTYDEGAIWNFQL-UHFFFAOYSA-N 0 0 310.332 2.055 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@H](C)C(C)C ZINC000356366014 404477917 /nfs/dbraw/zinc/47/79/17/404477917.db2.gz BEKRJLUDXYHOTD-AWEZNQCLSA-N 0 0 306.406 2.245 10 30 DEEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cn1 ZINC000329889063 404482705 /nfs/dbraw/zinc/48/27/05/404482705.db2.gz ZQWTZUZNFHEYET-VQJWOFKYSA-N 0 0 319.405 2.268 10 30 DEEERN C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)c1cccnc1 ZINC000173479030 144843279 /nfs/dbraw/zinc/84/32/79/144843279.db2.gz GJRRANUQWKVTHK-ZDUSSCGKSA-N 0 0 310.357 2.392 10 30 DEEERN Cc1nc(C(=O)N(C)[C@H]2CCCc3c2cnn3C)ccc1C#N ZINC000178651132 144862577 /nfs/dbraw/zinc/86/25/77/144862577.db2.gz IREFEMUWYDXVCG-HNNXBMFYSA-N 0 0 309.373 2.145 10 30 DEEERN C[C@H](CC1CC1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184640994 144947104 /nfs/dbraw/zinc/94/71/04/144947104.db2.gz CNBJSJOJHNUFQU-LLVKDONJSA-N 0 0 310.361 2.449 10 30 DEEERN COc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](C)CC[C@@H]1C ZINC000185805958 144968371 /nfs/dbraw/zinc/96/83/71/144968371.db2.gz IKGYPZAGWZHPEX-NEPJUHHUSA-N 0 0 308.403 2.376 10 30 DEEERN N#Cc1ccc(C(=O)N2CCCN(c3ccccn3)CC2)cc1 ZINC000186411983 144981686 /nfs/dbraw/zinc/98/16/86/144981686.db2.gz HKAFVLVQVZYGEC-UHFFFAOYSA-N 0 0 306.369 2.306 10 30 DEEERN CCn1cc([C@H]2CN(Cc3ccc(F)cc3C#N)CCO2)cn1 ZINC000190765846 145047526 /nfs/dbraw/zinc/04/75/26/145047526.db2.gz TWOGQTLRNREPOK-QGZVFWFLSA-N 0 0 314.364 2.487 10 30 DEEERN CCNC(=O)c1ccc(NC(=O)c2ccnc(C#N)c2)c(C)c1 ZINC000192801826 145079433 /nfs/dbraw/zinc/07/94/33/145079433.db2.gz JWLAJMMPKCIVFE-UHFFFAOYSA-N 0 0 308.341 2.264 10 30 DEEERN N#Cc1cc(C(=O)Nc2nnc(-c3ccccn3)s2)ccn1 ZINC000192834206 145079692 /nfs/dbraw/zinc/07/96/92/145079692.db2.gz BGPVSKMGDQWMNF-UHFFFAOYSA-N 0 0 308.326 2.119 10 30 DEEERN N#Cc1cc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)ccn1 ZINC000193247858 145084507 /nfs/dbraw/zinc/08/45/07/145084507.db2.gz LAQSMTPIOGNNOF-MRXNPFEDSA-N 0 0 308.341 2.174 10 30 DEEERN COc1cc(CN(C(=O)c2ccnc(C#N)c2)C2CC2)ccc1O ZINC000193595026 145088031 /nfs/dbraw/zinc/08/80/31/145088031.db2.gz GYKOLDYKYYXQNE-UHFFFAOYSA-N 0 0 323.352 2.472 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCOc1ccc(C#N)cc1 ZINC000248837885 145169460 /nfs/dbraw/zinc/16/94/60/145169460.db2.gz MXPKXDWAPXCPOJ-XIRDDKMYSA-N 0 0 314.385 2.211 10 30 DEEERN Cc1cc(-n2cncn2)ccc1C(=O)Nc1cc(C#N)ccn1 ZINC000357394653 147099186 /nfs/dbraw/zinc/09/91/86/147099186.db2.gz OZCXQPNGEISFHY-UHFFFAOYSA-N 0 0 304.313 2.095 10 30 DEEERN N#Cc1cnc(NCCOc2ccc(C(F)(F)F)cn2)cn1 ZINC000127158241 401722785 /nfs/dbraw/zinc/72/27/85/401722785.db2.gz NOIHSDZTQFYCMP-UHFFFAOYSA-N 0 0 309.251 2.253 10 30 DEEERN C[C@H](Nc1cnc(C#N)cn1)c1noc(Cc2ccccc2)n1 ZINC000126580513 401700238 /nfs/dbraw/zinc/70/02/38/401700238.db2.gz YZYOCCHMKJRFOY-NSHDSACASA-N 0 0 306.329 2.495 10 30 DEEERN CC(C)(C#N)c1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000127731073 401747427 /nfs/dbraw/zinc/74/74/27/401747427.db2.gz GZWNKFMABSUUAU-GFCCVEGCSA-N 0 0 320.414 2.251 10 30 DEEERN C#CCN(CC#C)C(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000075400030 401758960 /nfs/dbraw/zinc/75/89/60/401758960.db2.gz VOFWXDYOUPEWJU-CABCVRRESA-N 0 0 318.417 2.165 10 30 DEEERN C=CCN(C(=O)[C@]1(C)CCCO1)c1nc(C(=O)OCC)cs1 ZINC000128127539 401763904 /nfs/dbraw/zinc/76/39/04/401763904.db2.gz XTVZSFOSELLXLJ-HNNXBMFYSA-N 0 0 324.402 2.408 10 30 DEEERN C[C@@H]1C[C@H]1C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000128293845 401770635 /nfs/dbraw/zinc/77/06/35/401770635.db2.gz VBJLHYZOGAITQB-LERXQTSPSA-N 0 0 315.398 2.054 10 30 DEEERN CC(C)c1cc(C(=O)N2CCN(CC#N)CC2)nn1C(C)(C)C ZINC000130236537 401823789 /nfs/dbraw/zinc/82/37/89/401823789.db2.gz ITXROYMBJCGMBO-UHFFFAOYSA-N 0 0 317.437 2.043 10 30 DEEERN C[C@@H]1CC[C@@H](CCC(=O)N2CC(Oc3ccc(C#N)cc3)C2)O1 ZINC000130517804 401834596 /nfs/dbraw/zinc/83/45/96/401834596.db2.gz IHPBVOHBYDHXPK-HIFRSBDPSA-N 0 0 314.385 2.496 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000077862570 401835373 /nfs/dbraw/zinc/83/53/73/401835373.db2.gz XSUKEYVZWMEHRK-UHFFFAOYSA-N 0 0 317.389 2.317 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NCCc1csc(N2CCCC2)n1 ZINC000114854007 401812298 /nfs/dbraw/zinc/81/22/98/401812298.db2.gz IIOQLYFSKWNHNF-ZDUSSCGKSA-N 0 0 323.462 2.383 10 30 DEEERN C=CCCCN(C)C(=O)CN1C(=O)c2ccc(C)cc2C1=O ZINC000135098529 401926810 /nfs/dbraw/zinc/92/68/10/401926810.db2.gz JIISPXIEVGRPFZ-UHFFFAOYSA-N 0 0 300.358 2.016 10 30 DEEERN OC[C@@H](O)CSCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000135310153 401935634 /nfs/dbraw/zinc/93/56/34/401935634.db2.gz CJCZRRITBZDNLX-LLVKDONJSA-N 0 0 306.305 2.023 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc2c1C(=O)NC2 ZINC000119496390 401954105 /nfs/dbraw/zinc/95/41/05/401954105.db2.gz DLEMWYQJBFQHTA-NSHDSACASA-N 0 0 321.336 2.208 10 30 DEEERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000119550052 401958145 /nfs/dbraw/zinc/95/81/45/401958145.db2.gz ZWCDYROGYIPJTQ-KOLCDFICSA-N 0 0 320.780 2.329 10 30 DEEERN C[C@@H]1CC[C@H](C)CN1C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136484446 401968551 /nfs/dbraw/zinc/96/85/51/401968551.db2.gz SONWVWXMXZSGNU-WDEREUQCSA-N 0 0 303.337 2.283 10 30 DEEERN N#Cc1ccc(NC(=O)NC[C@@]2(CCO)CCOC2)cc1Cl ZINC000136940383 401976421 /nfs/dbraw/zinc/97/64/21/401976421.db2.gz UVAOBGIWCFKMEV-OAHLLOKOSA-N 0 0 323.780 2.122 10 30 DEEERN C=CCOCCCC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 ZINC000089200230 401939019 /nfs/dbraw/zinc/93/90/19/401939019.db2.gz ZOAQOWMPVBFFLX-UHFFFAOYSA-N 0 0 311.403 2.320 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc(S(=O)(=O)NCC=C)cc1 ZINC000135661643 401950056 /nfs/dbraw/zinc/95/00/56/401950056.db2.gz CEDPHDXZMYQBIY-UHFFFAOYSA-N 0 0 322.430 2.189 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccnn1C ZINC000121285227 402025638 /nfs/dbraw/zinc/02/56/38/402025638.db2.gz QCOWHLKGBMGOMB-UHFFFAOYSA-N 0 0 308.385 2.439 10 30 DEEERN CC(C)[C@@](C)(C#N)NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000151463924 402037920 /nfs/dbraw/zinc/03/79/20/402037920.db2.gz MVULWRNZBHPRSA-MLGOLLRUSA-N 0 0 309.410 2.298 10 30 DEEERN C#CCOc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000151510657 402040854 /nfs/dbraw/zinc/04/08/54/402040854.db2.gz WJNUOAKHYYVUNA-LPHOPBHVSA-N 0 0 313.397 2.466 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000122997614 402105715 /nfs/dbraw/zinc/10/57/15/402105715.db2.gz VBIOUPUUTAKCEJ-UHFFFAOYSA-N 0 0 313.401 2.245 10 30 DEEERN Cc1cnn(Cc2cc(C(=O)N(CC#N)C3CCCC3)no2)c1 ZINC000152732168 402106104 /nfs/dbraw/zinc/10/61/04/402106104.db2.gz BRZWOKKIZZCYCA-UHFFFAOYSA-N 0 0 313.361 2.136 10 30 DEEERN C=CCN(CC(=O)N(CC)CC)Cc1cccc([N+](=O)[O-])c1 ZINC000063297757 402112325 /nfs/dbraw/zinc/11/23/25/402112325.db2.gz ATSDZYSKAPLDRR-UHFFFAOYSA-N 0 0 305.378 2.451 10 30 DEEERN N#Cc1cccc(-c2cc(C(=O)N3CCO[C@H](C4CC4)C3)on2)c1 ZINC000329907498 404490130 /nfs/dbraw/zinc/49/01/30/404490130.db2.gz SZJNHTGQBUXUBY-KRWDZBQOSA-N 0 0 323.352 2.464 10 30 DEEERN C[C@@H](NCc1cnc2ccc(C#N)cn12)c1nnc2ccccn21 ZINC000123214329 402116234 /nfs/dbraw/zinc/11/62/34/402116234.db2.gz PDMCOLQGLGIOJN-GFCCVEGCSA-N 0 0 317.356 2.099 10 30 DEEERN CN(C)C(=O)C1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000097472599 402125512 /nfs/dbraw/zinc/12/55/12/402125512.db2.gz CTNSNVZBYHYTNJ-UHFFFAOYSA-N 0 0 318.352 2.029 10 30 DEEERN CCOCCOCC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000123570064 402135175 /nfs/dbraw/zinc/13/51/75/402135175.db2.gz PAIHXNDBMWIKDH-UHFFFAOYSA-N 0 0 306.362 2.337 10 30 DEEERN C=CCc1cc(C(=O)NCc2noc(C)n2)cc(OC)c1OC ZINC000124465546 402181367 /nfs/dbraw/zinc/18/13/67/402181367.db2.gz IZZYZSJHXYDOPR-UHFFFAOYSA-N 0 0 317.345 2.054 10 30 DEEERN C=C[C@H](C)NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000153872438 402176301 /nfs/dbraw/zinc/17/63/01/402176301.db2.gz FTCZCUKDNNUXBP-ZFWWWQNUSA-N 0 0 318.392 2.298 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@H](C#N)C2CC2)c(OC)c1 ZINC000108831704 402262665 /nfs/dbraw/zinc/26/26/65/402262665.db2.gz IWKYDTVASJBJKU-CQSZACIVSA-N 0 0 300.358 2.221 10 30 DEEERN CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C#N)C1CC1 ZINC000108836097 402262689 /nfs/dbraw/zinc/26/26/89/402262689.db2.gz KOYITYFILJXUKI-CQSZACIVSA-N 0 0 310.357 2.303 10 30 DEEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)CCCCC#N ZINC000068911664 402209302 /nfs/dbraw/zinc/20/93/02/402209302.db2.gz POGKJNYYNVFVSL-GDBMZVCRSA-N 0 0 322.430 2.472 10 30 DEEERN C#CCCCCNC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000156363895 402281100 /nfs/dbraw/zinc/28/11/00/402281100.db2.gz JRBUBNLKLDFQII-CYBMUJFWSA-N 0 0 320.339 2.237 10 30 DEEERN C=C(C)CNC(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000156511338 402283930 /nfs/dbraw/zinc/28/39/30/402283930.db2.gz JSYQKIBDFVJCPH-UHFFFAOYSA-N 0 0 311.385 2.272 10 30 DEEERN C[C@H](C1CC1)N(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184621498 402285506 /nfs/dbraw/zinc/28/55/06/402285506.db2.gz IRQIIJDJEKZJCM-LLVKDONJSA-N 0 0 310.361 2.401 10 30 DEEERN C=CCN(Cc1nnc(CC)[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC000157875446 402299421 /nfs/dbraw/zinc/29/94/21/402299421.db2.gz FXWBYHIXJTXOHK-UHFFFAOYSA-N 0 0 301.350 2.464 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@H]3C=CCCC3)cc2C1=O ZINC000158243337 402303433 /nfs/dbraw/zinc/30/34/33/402303433.db2.gz ZENMBDIIFGVWPY-ZDUSSCGKSA-N 0 0 310.353 2.307 10 30 DEEERN COc1ccccc1-c1nnc(CN(CCC#N)CCC#N)o1 ZINC000160479195 402347203 /nfs/dbraw/zinc/34/72/03/402347203.db2.gz GBGISMMNCIXTJJ-UHFFFAOYSA-N 0 0 311.345 2.375 10 30 DEEERN CC(C)n1cc(C#N)c(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)n1 ZINC000177005128 402358808 /nfs/dbraw/zinc/35/88/08/402358808.db2.gz RNAQKCUQCOPNSU-CYBMUJFWSA-N 0 0 323.356 2.400 10 30 DEEERN C[C@@H](NC(=O)NCc1ccc(C#N)cc1)c1nnc2n1CCCC2 ZINC000160876431 402364256 /nfs/dbraw/zinc/36/42/56/402364256.db2.gz OJKCJBMTMPLGME-GFCCVEGCSA-N 0 0 324.388 2.046 10 30 DEEERN C=C(C)CNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000161186960 402376665 /nfs/dbraw/zinc/37/66/65/402376665.db2.gz INWPOSGTEYZQHS-UHFFFAOYSA-N 0 0 307.293 2.286 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(F)cc1Br ZINC000185833656 402381016 /nfs/dbraw/zinc/38/10/16/402381016.db2.gz AUEBMOUMOGKBTJ-SECBINFHSA-N 0 0 302.143 2.255 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(OCC(C)C)c(OC)c1 ZINC000185832331 402381193 /nfs/dbraw/zinc/38/11/93/402381193.db2.gz ZTUGGAOJMGLKFL-CQSZACIVSA-N 0 0 307.390 2.397 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000185845555 402382091 /nfs/dbraw/zinc/38/20/91/402382091.db2.gz NKBLENSEKLCRJC-QGZVFWFLSA-N 0 0 324.380 2.350 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(F)cc(Br)c1 ZINC000185858182 402383553 /nfs/dbraw/zinc/38/35/53/402383553.db2.gz LJORKNASXYTSJO-LLVKDONJSA-N 0 0 302.143 2.255 10 30 DEEERN Cc1ccc([N+](=O)[O-])c(Nc2cnn(-c3ncccc3C#N)c2)n1 ZINC000185987660 402395045 /nfs/dbraw/zinc/39/50/45/402395045.db2.gz AWCKBMIRUOTLRG-UHFFFAOYSA-N 0 0 321.300 2.494 10 30 DEEERN COc1ccc(Br)cc1C(=O)N[C@@H](C#N)C1CC1 ZINC000161906074 402402839 /nfs/dbraw/zinc/40/28/39/402402839.db2.gz YJUQWOYPJBHGCQ-NSHDSACASA-N 0 0 309.163 2.490 10 30 DEEERN C#CCCCCNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000177471546 402405912 /nfs/dbraw/zinc/40/59/12/402405912.db2.gz OGFIZEJQFROWOL-AWEZNQCLSA-N 0 0 320.414 2.008 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@H](OC)c1cccc(Cl)c1 ZINC000186331521 402421788 /nfs/dbraw/zinc/42/17/88/402421788.db2.gz QGCMXEUTTHGNFY-KBPBESRZSA-N 0 0 312.797 2.264 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000162974025 402438113 /nfs/dbraw/zinc/43/81/13/402438113.db2.gz OMUCOCUEKGQSQN-ZDUSSCGKSA-N 0 0 314.389 2.112 10 30 DEEERN C=CCOc1cccc(NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000163099204 402441905 /nfs/dbraw/zinc/44/19/05/402441905.db2.gz GVOONEQVWJJFDR-QWHCGFSZSA-N 0 0 317.389 2.417 10 30 DEEERN C=CCCOCCNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186583613 402444701 /nfs/dbraw/zinc/44/47/01/402444701.db2.gz LPIPDVXFIAUMNK-UHFFFAOYSA-N 0 0 318.377 2.378 10 30 DEEERN CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(C#N)cc2C)C1 ZINC000164017578 402459541 /nfs/dbraw/zinc/45/95/41/402459541.db2.gz GGEBNYBCSFXDMB-HNNXBMFYSA-N 0 0 313.401 2.245 10 30 DEEERN N#Cc1cc(C(=O)N2CCC(Nc3nccs3)CC2)c[nH]1 ZINC000186954353 402473528 /nfs/dbraw/zinc/47/35/28/402473528.db2.gz ZNGRDPVRFMVWQY-UHFFFAOYSA-N 0 0 301.375 2.060 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000178252890 402476482 /nfs/dbraw/zinc/47/64/82/402476482.db2.gz PBCOFNPIUGNWSX-QANKJYHBSA-N 0 0 316.401 2.383 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)c2cc(C#N)cs2)C12CCOCC2 ZINC000187035365 402478998 /nfs/dbraw/zinc/47/89/98/402478998.db2.gz YIOZHVWGUONMSM-UONOGXRCSA-N 0 0 320.414 2.324 10 30 DEEERN C=CCOCCCC(=O)N[C@H]1C[C@H](OCC)C12CCOCC2 ZINC000187109363 402483472 /nfs/dbraw/zinc/48/34/72/402483472.db2.gz HKTBSXVRXUEUEN-GJZGRUSLSA-N 0 0 311.422 2.060 10 30 DEEERN Cc1cnc(CCN(C)S(=O)(=O)c2cccc(C#N)c2)s1 ZINC000167348589 402490388 /nfs/dbraw/zinc/49/03/88/402490388.db2.gz HJHUUPXEZZQOSO-UHFFFAOYSA-N 0 0 321.427 2.186 10 30 DEEERN C[C@@H](NS(=O)(=O)CCCCC#N)[C@H]1COc2ccccc21 ZINC000167598143 402492579 /nfs/dbraw/zinc/49/25/79/402492579.db2.gz OQTJMHYWJSOQJY-TZMCWYRMSA-N 0 0 308.403 2.164 10 30 DEEERN N#CCCCCNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000178814116 402542626 /nfs/dbraw/zinc/54/26/26/402542626.db2.gz XHNILUREEQHCKM-VIFPVBQESA-N 0 0 314.311 2.343 10 30 DEEERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CCCO1 ZINC000171113210 402558573 /nfs/dbraw/zinc/55/85/73/402558573.db2.gz CTHQURFBLGMNCD-SNVBAGLBSA-N 0 0 314.794 2.011 10 30 DEEERN Cc1nc(C[C@H]2CCCN(C(=O)c3sccc3C#N)C2)no1 ZINC000171235446 402569336 /nfs/dbraw/zinc/56/93/36/402569336.db2.gz MGVWVRYASGPDCR-LLVKDONJSA-N 0 0 316.386 2.406 10 30 DEEERN CN(C)CC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000170750996 402520549 /nfs/dbraw/zinc/52/05/49/402520549.db2.gz TYUABRBYWQWXAY-UHFFFAOYSA-N 0 0 300.387 2.106 10 30 DEEERN COCCCN(CCOC)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000179748396 402599659 /nfs/dbraw/zinc/59/96/59/402599659.db2.gz ZFLJEPDRSUQMBF-UHFFFAOYSA-N 0 0 316.401 2.367 10 30 DEEERN N#Cc1ccccc1/C=C/C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000171663080 402606704 /nfs/dbraw/zinc/60/67/04/402606704.db2.gz UAXYITOQZDKDHD-WAVCKPEOSA-N 0 0 307.357 2.027 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000171679975 402608805 /nfs/dbraw/zinc/60/88/05/402608805.db2.gz UJCURLOGHPJPQJ-UHFFFAOYSA-N 0 0 306.244 2.071 10 30 DEEERN CC[C@@H]1C[C@@H](C(=O)NCCOc2ccc(C#N)cc2)CCO1 ZINC000180281550 402612158 /nfs/dbraw/zinc/61/21/58/402612158.db2.gz NTHQRBSONLORRP-LSDHHAIUSA-N 0 0 302.374 2.258 10 30 DEEERN CO[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC[C@H]1C ZINC000190726916 402620536 /nfs/dbraw/zinc/62/05/36/402620536.db2.gz WHVODLAYHLAEFU-IAQYHMDHSA-N 0 0 305.353 2.264 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000249272195 402624114 /nfs/dbraw/zinc/62/41/14/402624114.db2.gz KRYBZPJLNMHHBQ-LJIGWXMPSA-N 0 0 311.422 2.010 10 30 DEEERN C=C(C)CN(C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000181495201 402647302 /nfs/dbraw/zinc/64/73/02/402647302.db2.gz RHZDQXSQHUNAMB-AWEZNQCLSA-N 0 0 303.406 2.491 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@H]1COc2ccccc2C1=O ZINC000181553859 402649559 /nfs/dbraw/zinc/64/95/59/402649559.db2.gz MGOBYKRJAARKAG-HNNXBMFYSA-N 0 0 306.321 2.240 10 30 DEEERN COC(=O)CN(CC#N)C(=O)C[C@H]1CCCc2ccccc21 ZINC000172359318 402652217 /nfs/dbraw/zinc/65/22/17/402652217.db2.gz FITQIFUJXJXMBW-CQSZACIVSA-N 0 0 300.358 2.022 10 30 DEEERN C=C(C)CN(CC)C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181697430 402654749 /nfs/dbraw/zinc/65/47/49/402654749.db2.gz NRECBTKCWBNXSH-ZDUSSCGKSA-N 0 0 305.426 2.324 10 30 DEEERN N#C[C@@H](NC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O)C1CC1 ZINC000173629986 402705288 /nfs/dbraw/zinc/70/52/88/402705288.db2.gz XJFWXRAPDSVLKC-ZIAGYGMSSA-N 0 0 317.776 2.111 10 30 DEEERN CCc1ccc(NC(=O)CON=C2CCCc3nonc32)cc1 ZINC000254708652 402671120 /nfs/dbraw/zinc/67/11/20/402671120.db2.gz QJBIQBJHGFRFBS-UHFFFAOYSA-N 0 0 314.345 2.328 10 30 DEEERN N#C[C@@H]1COCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000173127683 402685919 /nfs/dbraw/zinc/68/59/19/402685919.db2.gz QGBLMBBAJFLACR-CYBMUJFWSA-N 0 0 300.289 2.450 10 30 DEEERN CCO[C@@H]1C[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@]12CCCO2 ZINC000369901343 286259480 /nfs/dbraw/zinc/25/94/80/286259480.db2.gz FYVJOSVEVPGPLT-CPUCHLNUSA-N 0 0 321.421 2.048 10 30 DEEERN C=CCOCCCC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000173533082 402702085 /nfs/dbraw/zinc/70/20/85/402702085.db2.gz KNYNEVZSVRCGQU-UHFFFAOYSA-N 0 0 317.433 2.458 10 30 DEEERN CC[C@@H](NS(=O)(=O)CCCC#N)c1cccc([N+](=O)[O-])c1 ZINC000175114055 402780210 /nfs/dbraw/zinc/78/02/10/402780210.db2.gz NMOWXACVANMLNE-CYBMUJFWSA-N 0 0 311.363 2.269 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000183003294 402732555 /nfs/dbraw/zinc/73/25/55/402732555.db2.gz MMFQPKRQDLTBAQ-VIFPVBQESA-N 0 0 314.769 2.416 10 30 DEEERN C=CCNC(=O)CNC(=O)N1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000183160266 402743982 /nfs/dbraw/zinc/74/39/82/402743982.db2.gz FKXKUHFGLZPZLA-HNNXBMFYSA-N 0 0 315.417 2.105 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](COCC(C)C)c1ccco1 ZINC000183280488 402752796 /nfs/dbraw/zinc/75/27/96/402752796.db2.gz LEMJBAQAFFNAKO-UONOGXRCSA-N 0 0 310.394 2.230 10 30 DEEERN N#CCc1ccc(NC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000174716382 402753158 /nfs/dbraw/zinc/75/31/58/402753158.db2.gz JXPQUKFGVZDUMO-OAHLLOKOSA-N 0 0 310.361 2.213 10 30 DEEERN C[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)CC1(C#N)CC1 ZINC000183874490 402802941 /nfs/dbraw/zinc/80/29/41/402802941.db2.gz IMPXGPBPHWJLLG-ZFWWWQNUSA-N 0 0 320.414 2.082 10 30 DEEERN C[C@@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)CC1(C#N)CC1 ZINC000183874472 402803137 /nfs/dbraw/zinc/80/31/37/402803137.db2.gz IMPXGPBPHWJLLG-HIFRSBDPSA-N 0 0 320.414 2.082 10 30 DEEERN N#C[C@@]1(NC(=O)c2ncncc2Cl)CCc2ccccc2C1 ZINC000183950847 402807732 /nfs/dbraw/zinc/80/77/32/402807732.db2.gz BAFVSMHMCJBEGO-MRXNPFEDSA-N 0 0 312.760 2.311 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCc1nccn1C(F)F ZINC000195011080 402826863 /nfs/dbraw/zinc/82/68/63/402826863.db2.gz OFQFZSQHHROQEK-SNVBAGLBSA-N 0 0 320.299 2.234 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000183628330 402783313 /nfs/dbraw/zinc/78/33/13/402783313.db2.gz JRQGOJDIZVUOFL-ZFWWWQNUSA-N 0 0 314.389 2.170 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000183633059 402783825 /nfs/dbraw/zinc/78/38/25/402783825.db2.gz QAADTUXFQRRPSC-AWEZNQCLSA-N 0 0 317.389 2.262 10 30 DEEERN Cc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cn1 ZINC000183663797 402786589 /nfs/dbraw/zinc/78/65/89/402786589.db2.gz JPMDPDYAMXZSKU-UHFFFAOYSA-N 0 0 304.313 2.095 10 30 DEEERN N#Cc1ccc(OCCNC(=O)N[C@H]2COc3ccccc32)cc1 ZINC000176042804 402850134 /nfs/dbraw/zinc/85/01/34/402850134.db2.gz QJJKJFHUTKAKSL-INIZCTEOSA-N 0 0 323.352 2.370 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CNC(=O)c1cccs1 ZINC000265254750 402905020 /nfs/dbraw/zinc/90/50/20/402905020.db2.gz BTNHMNVUKPEHRJ-UHFFFAOYSA-N 0 0 306.309 2.055 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccccc1C(F)(F)F ZINC000273398047 403001273 /nfs/dbraw/zinc/00/12/73/403001273.db2.gz OPIXUEFWLNDXKH-NSHDSACASA-N 0 0 302.296 2.442 10 30 DEEERN C=C(Br)CN[C@@H](C(=O)OC)c1cccc(O)c1 ZINC000273550676 403014277 /nfs/dbraw/zinc/01/42/77/403014277.db2.gz BWNCTQFTZWKIJE-LLVKDONJSA-N 0 0 300.152 2.105 10 30 DEEERN C=C(Br)CN[C@H](C(=O)OC)c1cccc(O)c1 ZINC000273550679 403014422 /nfs/dbraw/zinc/01/44/22/403014422.db2.gz BWNCTQFTZWKIJE-NSHDSACASA-N 0 0 300.152 2.105 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1c(C)nc(C(C)(C)C)nc1SC ZINC000273572699 403016201 /nfs/dbraw/zinc/01/62/01/403016201.db2.gz LBLMJZCQDUHDKR-NSHDSACASA-N 0 0 323.462 2.471 10 30 DEEERN C=CCCCNC(=O)NCc1c(OC)cc(OC)cc1OC ZINC000280261307 402981212 /nfs/dbraw/zinc/98/12/12/402981212.db2.gz ZXTUHVTZNDCLDN-UHFFFAOYSA-N 0 0 308.378 2.478 10 30 DEEERN C=CCN1CC[C@@H](Sc2ccc(C(F)(F)F)nn2)C1=O ZINC000280987891 403056346 /nfs/dbraw/zinc/05/63/46/403056346.db2.gz MHTXIEJABZJJKT-MRVPVSSYSA-N 0 0 303.309 2.374 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CC[C@H](C(=O)OC)C1 ZINC000282276088 403138869 /nfs/dbraw/zinc/13/88/69/403138869.db2.gz MMQQLYUGXWIYEV-ZDUSSCGKSA-N 0 0 306.410 2.052 10 30 DEEERN C#CCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000270647020 403208829 /nfs/dbraw/zinc/20/88/29/403208829.db2.gz LBNMUKXGCJMMLL-GJZGRUSLSA-N 0 0 307.344 2.033 10 30 DEEERN C=CCCCCNC(=O)C(=O)N[C@H](C)c1ccccc1OC ZINC000283865407 403228899 /nfs/dbraw/zinc/22/88/99/403228899.db2.gz CHBNNUFNTOSVAJ-CYBMUJFWSA-N 0 0 304.390 2.345 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCO[C@@H](C#N)C1 ZINC000283358029 403191805 /nfs/dbraw/zinc/19/18/05/403191805.db2.gz SRHRDHPNUZCARR-AWEZNQCLSA-N 0 0 303.410 2.172 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)N2CC[C@H](CC(F)(F)F)C2)c1 ZINC000277648547 403241326 /nfs/dbraw/zinc/24/13/26/403241326.db2.gz YQCGVQZCKCJGBZ-GFCCVEGCSA-N 0 0 324.302 2.407 10 30 DEEERN Cc1c(C(=O)NC2(C#N)CCCC2)cnn1C1CCOCC1 ZINC000271050465 403257847 /nfs/dbraw/zinc/25/78/47/403257847.db2.gz PLLIJUWKDIJKFH-UHFFFAOYSA-N 0 0 302.378 2.109 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cnc(OCC2CC2)cn1 ZINC000284697170 403271119 /nfs/dbraw/zinc/27/11/19/403271119.db2.gz PJVDCKWGHGDXLQ-UHFFFAOYSA-N 0 0 315.295 2.456 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NS(=O)(=O)N1CCCC[C@@H]1C ZINC000285227210 403279826 /nfs/dbraw/zinc/27/98/26/403279826.db2.gz FROLMGPHEXCJHQ-DOTOQJQBSA-N 0 0 320.458 2.330 10 30 DEEERN C=C[C@@H](CC(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccccc1 ZINC000342699951 403312678 /nfs/dbraw/zinc/31/26/78/403312678.db2.gz PTKQZQYBJYBONP-KBPBESRZSA-N 0 0 321.442 2.428 10 30 DEEERN C=C(CNC(=O)[C@@H]1CCCN1C(=O)C(C)C)c1ccccc1 ZINC000345630151 403411514 /nfs/dbraw/zinc/41/15/14/403411514.db2.gz YPRHIWQOTVMZJN-INIZCTEOSA-N 0 0 300.402 2.463 10 30 DEEERN CC1(C#N)CCN(C(=O)c2cnc(OCC3CC3)cn2)CC1 ZINC000285946828 403416668 /nfs/dbraw/zinc/41/66/68/403416668.db2.gz ZBTQSKNBQMXGOE-UHFFFAOYSA-N 0 0 300.362 2.031 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCC(=O)NCCC ZINC000286016882 403431915 /nfs/dbraw/zinc/43/19/15/403431915.db2.gz AEIKLADTQHZWOA-INIZCTEOSA-N 0 0 300.402 2.044 10 30 DEEERN C#CCOc1ccc(C(=O)N2CCOC[C@H]2CC(F)F)cc1 ZINC000286685639 403542040 /nfs/dbraw/zinc/54/20/40/403542040.db2.gz IZANUPNXBZOBRP-CYBMUJFWSA-N 0 0 309.312 2.195 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC000286776351 403546508 /nfs/dbraw/zinc/54/65/08/403546508.db2.gz QNHMITVMOCPAAP-USXIJHARSA-N 0 0 300.402 2.488 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000287020000 403552918 /nfs/dbraw/zinc/55/29/18/403552918.db2.gz HYHMKJGKHJVNTR-QGZVFWFLSA-N 0 0 323.371 2.428 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCc1cnccn1 ZINC000287387094 403588291 /nfs/dbraw/zinc/58/82/91/403588291.db2.gz NETMPXYBSKYPKI-KRWDZBQOSA-N 0 0 322.412 2.295 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCOC1CCOCC1 ZINC000287401593 403591132 /nfs/dbraw/zinc/59/11/32/403591132.db2.gz PMJPSYBPAUENNP-QGZVFWFLSA-N 0 0 315.413 2.323 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCOC1CCOCC1 ZINC000287401589 403591722 /nfs/dbraw/zinc/59/17/22/403591722.db2.gz PMJPSYBPAUENNP-KRWDZBQOSA-N 0 0 315.413 2.323 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@H](CC(C)C)c1cccs1 ZINC000346862064 403605599 /nfs/dbraw/zinc/60/55/99/403605599.db2.gz ZWPGKCQKHTWJIG-GFCCVEGCSA-N 0 0 309.435 2.437 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCOC1 ZINC000287481715 403608355 /nfs/dbraw/zinc/60/83/55/403608355.db2.gz SHTZUKYHNNDAON-DLBZAZTESA-N 0 0 300.402 2.299 10 30 DEEERN Cc1cc(NC(=O)CN(C)c2cc(C#N)nc3ccccc32)no1 ZINC000301344267 403617459 /nfs/dbraw/zinc/61/74/59/403617459.db2.gz JVQMCODABJKPRA-UHFFFAOYSA-N 0 0 321.340 2.478 10 30 DEEERN N#Cc1cc(NC[C@@H]2CN(C3CC3)CCO2)c2ccccc2n1 ZINC000301399102 403623454 /nfs/dbraw/zinc/62/34/54/403623454.db2.gz OUBOUVGYVWIVJW-OAHLLOKOSA-N 0 0 308.385 2.382 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@](C)(Cc1ccccc1)[C@@H](C)O ZINC000287724671 403655361 /nfs/dbraw/zinc/65/53/61/403655361.db2.gz BKROACHQORHWBD-OXQOHEQNSA-N 0 0 311.425 2.395 10 30 DEEERN C=CCNC(=O)c1ccc(N[C@H](CO)c2ccsc2)nc1 ZINC000302299955 403710592 /nfs/dbraw/zinc/71/05/92/403710592.db2.gz YIQSCIHDHJYIIL-CYBMUJFWSA-N 0 0 303.387 2.204 10 30 DEEERN C=CCCOCCNC(=O)c1ncsc1Br ZINC000288776129 403767178 /nfs/dbraw/zinc/76/71/78/403767178.db2.gz GVZKAPXZHHVUIJ-UHFFFAOYSA-N 0 0 305.197 2.228 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(CCO)CCCC ZINC000288106940 403726465 /nfs/dbraw/zinc/72/64/65/403726465.db2.gz IXNRWLHNPPBREZ-QGZVFWFLSA-N 0 0 302.418 2.425 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCC(CC)(CC)SC ZINC000288229549 403741764 /nfs/dbraw/zinc/74/17/64/403741764.db2.gz PUZTWIBJIQLNJX-UHFFFAOYSA-N 0 0 300.468 2.449 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccnc(SCC)c1 ZINC000288250911 403743388 /nfs/dbraw/zinc/74/33/88/403743388.db2.gz LBGTUZDMSOAVIT-UHFFFAOYSA-N 0 0 321.446 2.234 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NO[C@@H]1CCCCO1 ZINC000288574844 403758394 /nfs/dbraw/zinc/75/83/94/403758394.db2.gz GFUDCFJNZIHIDU-HZPDHXFCSA-N 0 0 302.374 2.378 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@H](CC(=O)NC)c1ccccc1)OCC ZINC000362045809 403919880 /nfs/dbraw/zinc/91/98/80/403919880.db2.gz FAZRYKYALMJYGO-CVEARBPZSA-N 0 0 318.417 2.351 10 30 DEEERN C#CCNC(=O)c1ccc(N2CCC(c3ccccn3)CC2)nc1 ZINC000362176824 403933083 /nfs/dbraw/zinc/93/30/83/403933083.db2.gz CNSFKHJFFBXQHF-UHFFFAOYSA-N 0 0 320.396 2.224 10 30 DEEERN COC(=O)c1c(I)ccc(C#N)c1F ZINC000307453194 403952877 /nfs/dbraw/zinc/95/28/77/403952877.db2.gz ZXBNCYXFBLKLEQ-UHFFFAOYSA-N 0 0 305.046 2.089 10 30 DEEERN COc1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1Cl ZINC000362471875 403958505 /nfs/dbraw/zinc/95/85/05/403958505.db2.gz IKUCODWHTGDHLC-ZDUSSCGKSA-N 0 0 319.792 2.161 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N(C)[C@H](C)c1ccco1 ZINC000289547221 403984289 /nfs/dbraw/zinc/98/42/89/403984289.db2.gz FAODTOIRPODEGT-TZMCWYRMSA-N 0 0 318.377 2.342 10 30 DEEERN CCc1noc([C@H](C)N2CC[C@H](n3ccc(NC(C)=O)n3)C2)n1 ZINC000328624742 404116549 /nfs/dbraw/zinc/11/65/49/404116549.db2.gz KDEWQOUDKHNZHH-JQWIXIFHSA-N 0 0 318.381 2.444 10 30 DEEERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(C)c(F)c2)C1 ZINC000328629670 404119257 /nfs/dbraw/zinc/11/92/57/404119257.db2.gz IMGSEMPCLITRIC-UHFFFAOYSA-N 0 0 308.353 2.376 10 30 DEEERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cnc(C)cn2)cn1 ZINC000328626977 404120051 /nfs/dbraw/zinc/12/00/51/404120051.db2.gz MIBVUOUIQCTGFE-DZGCQCFKSA-N 0 0 315.377 2.226 10 30 DEEERN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCCC1CC1 ZINC000567312891 292304377 /nfs/dbraw/zinc/30/43/77/292304377.db2.gz MQXNKGDEPYFQRI-UHFFFAOYSA-N 0 0 316.405 2.360 10 30 DEEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N[C@@H]1CCCC12CCOCC2 ZINC000328677449 404128150 /nfs/dbraw/zinc/12/81/50/404128150.db2.gz SDHRLQXTCVDKTQ-RBSFLKMASA-N 0 0 308.422 2.407 10 30 DEEERN C=CCOc1ccc(CN2CCOC[C@H]2c2ncon2)cc1 ZINC000355005266 404151161 /nfs/dbraw/zinc/15/11/61/404151161.db2.gz UPRHJBNIQNMHEU-HNNXBMFYSA-N 0 0 301.346 2.208 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Cn1cc(Cl)cn1 ZINC000290543479 404214171 /nfs/dbraw/zinc/21/41/71/404214171.db2.gz OPFZZZAZAWYIGK-OAHLLOKOSA-N 0 0 301.777 2.287 10 30 DEEERN C#CCSCCNC(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000363694493 404218574 /nfs/dbraw/zinc/21/85/74/404218574.db2.gz AEQPEZFKBIQXTE-OAHLLOKOSA-N 0 0 303.431 2.022 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@H](C)CC(=O)OCC)cc1 ZINC000296376950 404221307 /nfs/dbraw/zinc/22/13/07/404221307.db2.gz FMEUNWWEBXBFFC-CYBMUJFWSA-N 0 0 302.374 2.056 10 30 DEEERN C=CCNC(=O)CN1CCN(Cc2ccc(CCC)cc2)CC1 ZINC000349749586 404185920 /nfs/dbraw/zinc/18/59/20/404185920.db2.gz RCLVCIRAYHLIKI-UHFFFAOYSA-N 0 0 315.461 2.059 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000344582400 404239198 /nfs/dbraw/zinc/23/91/98/404239198.db2.gz MGCAGOPGEQHDRB-JTQLQIEISA-N 0 0 317.345 2.013 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CC3(C)C)cc2C1=O ZINC000352289366 404270745 /nfs/dbraw/zinc/27/07/45/404270745.db2.gz IJBRWPMAOCLXRO-LBPRGKRZSA-N 0 0 312.369 2.245 10 30 DEEERN C[C@H](NC(=O)[C@H]1CCCN1C(=O)C1CCCC1)c1nc[nH]n1 ZINC000329246029 404277788 /nfs/dbraw/zinc/27/77/88/404277788.db2.gz QVTMRPFPOPUBGE-CMPLNLGQSA-N 0 0 305.382 2.003 10 30 DEEERN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)NCC2(C)COC2)C1 ZINC000329277584 404287860 /nfs/dbraw/zinc/28/78/60/404287860.db2.gz KVGIRKWPUDSMEQ-ZDUSSCGKSA-N 0 0 311.426 2.261 10 30 DEEERN C=CCCN(C)C(=O)[C@H](F)C1CN(C(=O)OC(C)(C)C)C1 ZINC000290838166 404332625 /nfs/dbraw/zinc/33/26/25/404332625.db2.gz XOBCFMGCHBOGHV-GFCCVEGCSA-N 0 0 300.374 2.226 10 30 DEEERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)[C@@H]1CCCOC1 ZINC000329486620 404352652 /nfs/dbraw/zinc/35/26/52/404352652.db2.gz GIRNRXSTVPQUOI-IJLUTSLNSA-N 0 0 300.424 2.070 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@@H](O)C2CCCCC2)cc1 ZINC000296543019 404298428 /nfs/dbraw/zinc/29/84/28/404298428.db2.gz BBPOPPUIEMFDBY-QGZVFWFLSA-N 0 0 300.402 2.408 10 30 DEEERN C=CCOCCNC(=O)N1CCC[C@H]1c1ccc(COC)o1 ZINC000364130678 404322976 /nfs/dbraw/zinc/32/29/76/404322976.db2.gz XURNPESJZKRMDW-AWEZNQCLSA-N 0 0 308.378 2.475 10 30 DEEERN CCn1nc(C(=O)NCC2CCOCC2)c(=O)c2ccccc21 ZINC000329578174 404382451 /nfs/dbraw/zinc/38/24/51/404382451.db2.gz SZYHDPHIYZVTMX-UHFFFAOYSA-N 0 0 315.373 2.148 10 30 DEEERN O=C(NCc1ncc(-c2ccccc2)cn1)N1CCCOCC1 ZINC000329607967 404392340 /nfs/dbraw/zinc/39/23/40/404392340.db2.gz IOAMLMHNIOWCMI-UHFFFAOYSA-N 0 0 312.373 2.280 10 30 DEEERN Cc1cccc2c1OC[C@H](NC(=O)N1CCO[C@@H](C3CC3)C1)C2 ZINC000329622100 404396600 /nfs/dbraw/zinc/39/66/00/404396600.db2.gz NGBVNCCBUDMYLJ-HZPDHXFCSA-N 0 0 316.401 2.323 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1c(CC)nc2ccc(Cl)cn21 ZINC000291528229 404415074 /nfs/dbraw/zinc/41/50/74/404415074.db2.gz SIMHCYNODDZJPJ-NSHDSACASA-N 0 0 307.781 2.217 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000342174905 404421791 /nfs/dbraw/zinc/42/17/91/404421791.db2.gz FARWCGLYOZRSEB-HEHGZKQESA-N 0 0 316.401 2.196 10 30 DEEERN CC(C)C[C@]1(CO)CCCN1C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000329926888 404496339 /nfs/dbraw/zinc/49/63/39/404496339.db2.gz LCUQPTHDDNBPNE-VYDXJSESSA-N 0 0 310.438 2.341 10 30 DEEERN C[C@H](CC1CC1)NC(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000329929021 404499151 /nfs/dbraw/zinc/49/91/51/404499151.db2.gz YLFDMYKOMUNBEL-XBFCOCLRSA-N 0 0 321.400 2.086 10 30 DEEERN CC(=O)N1CCC(NC(=O)N2CC3(CCC3)[C@H]2C2CC2)CC1 ZINC000329733956 404435646 /nfs/dbraw/zinc/43/56/46/404435646.db2.gz RCDCHNIQPYDRNM-OAHLLOKOSA-N 0 0 305.422 2.176 10 30 DEEERN O=C(NC[C@H]1CCCCS1)N1CCc2cc[nH]c(=O)c2C1 ZINC000330224450 404591576 /nfs/dbraw/zinc/59/15/76/404591576.db2.gz NRYVEPQRQDDUGD-GFCCVEGCSA-N 0 0 307.419 2.345 10 30 DEEERN Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CC[C@H](C)O3)C2)nn1 ZINC000330071030 404544739 /nfs/dbraw/zinc/54/47/39/404544739.db2.gz XSOCSTPAMPGREB-IHRRRGAJSA-N 0 0 304.394 2.278 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCOC[C@@H]1C ZINC000342381598 404545005 /nfs/dbraw/zinc/54/50/05/404545005.db2.gz STKLGVOHSOVGNX-XJKSGUPXSA-N 0 0 307.390 2.349 10 30 DEEERN Cc1ccn2cc(CNC(=O)N3CCO[C@@H](C4CC4)C3)nc2c1 ZINC000330130252 404559288 /nfs/dbraw/zinc/55/92/88/404559288.db2.gz KIGUNRDHENHEBP-OAHLLOKOSA-N 0 0 314.389 2.168 10 30 DEEERN C=CCCOCCCCc1nc([C@H]2CC(=O)N(CC)C2)no1 ZINC000351410581 404578651 /nfs/dbraw/zinc/57/86/51/404578651.db2.gz WZYFWNZDHJPIJI-ZDUSSCGKSA-N 0 0 307.394 2.321 10 30 DEEERN C=CCN1CC[C@@H](N(C)c2cc(C#N)c3ccccc3n2)C1=O ZINC000358655691 404771158 /nfs/dbraw/zinc/77/11/58/404771158.db2.gz AMYUCZJZYHMMBN-MRXNPFEDSA-N 0 0 306.369 2.330 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000353157415 404756922 /nfs/dbraw/zinc/75/69/22/404756922.db2.gz GBEGJRAAMTYPOX-DZGCQCFKSA-N 0 0 304.390 2.302 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000358862589 404778184 /nfs/dbraw/zinc/77/81/84/404778184.db2.gz HOZCZLVGHHQMGG-SFHVURJKSA-N 0 0 317.385 2.273 10 30 DEEERN C=CCN(CCC#N)C(=O)C1CCN(C(=O)c2ccoc2)CC1 ZINC000359448310 404793737 /nfs/dbraw/zinc/79/37/37/404793737.db2.gz WNMYEZMEAPYVQD-UHFFFAOYSA-N 0 0 315.373 2.060 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1CCS(C)(=O)=O ZINC000359516402 404795094 /nfs/dbraw/zinc/79/50/94/404795094.db2.gz RCKZDXCLIYJUAL-ZIAGYGMSSA-N 0 0 301.452 2.405 10 30 DEEERN C=CCCCNC(=O)C(=O)NCC1(CCOC)CCCCC1 ZINC000360782148 404837590 /nfs/dbraw/zinc/83/75/90/404837590.db2.gz SCYXVBJVDUICCI-UHFFFAOYSA-N 0 0 310.438 2.172 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000366715098 404835587 /nfs/dbraw/zinc/83/55/87/404835587.db2.gz ZHBBCNBBMKTYJP-GDBMZVCRSA-N 0 0 318.421 2.280 10 30 DEEERN C=CCN(CCOC)C(=O)c1noc(-c2cccc(OC)c2)n1 ZINC000361075025 404905707 /nfs/dbraw/zinc/90/57/07/404905707.db2.gz FCPJAPVEVFFAHA-UHFFFAOYSA-N 0 0 317.345 2.020 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@](C)(O)C=C ZINC000353510926 404853156 /nfs/dbraw/zinc/85/31/56/404853156.db2.gz OKZULSSSDIDDEK-MRXNPFEDSA-N 0 0 304.346 2.437 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000367208418 404965719 /nfs/dbraw/zinc/96/57/19/404965719.db2.gz WFPJTKRMZOYGEQ-NOLJZWGESA-N 0 0 318.421 2.078 10 30 DEEERN CCCN(C(=O)c1ccc(C#N)n1C)[C@@H](CC)C(=O)OCC ZINC000451356835 404965955 /nfs/dbraw/zinc/96/59/55/404965955.db2.gz XOMIUNDDYWEYDE-ZDUSSCGKSA-N 0 0 305.378 2.091 10 30 DEEERN N#Cc1ccnc(NC(=O)c2ccccc2Cn2cccn2)c1 ZINC000436017124 405036152 /nfs/dbraw/zinc/03/61/52/405036152.db2.gz WUESYJLFRZZZMY-UHFFFAOYSA-N 0 0 303.325 2.450 10 30 DEEERN CCc1ccnc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC000435639709 405000480 /nfs/dbraw/zinc/00/04/80/405000480.db2.gz YNQXEXRYPGFQRO-UHFFFAOYSA-N 0 0 319.361 2.133 10 30 DEEERN C=CC(C)(C)CNS(=O)(=O)c1ccc(C)cc1C(=O)OC ZINC000451808416 405045703 /nfs/dbraw/zinc/04/57/03/405045703.db2.gz FIKFPZLASNBIBX-UHFFFAOYSA-N 0 0 311.403 2.272 10 30 DEEERN N#Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1O ZINC000407963086 405077394 /nfs/dbraw/zinc/07/73/94/405077394.db2.gz OHUIMSANTPKPRB-OAGGEKHMSA-N 0 0 314.385 2.420 10 30 DEEERN CC#CCCNC(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000361457238 405083142 /nfs/dbraw/zinc/08/31/42/405083142.db2.gz MANGMDUGYYMMNH-OAHLLOKOSA-N 0 0 315.417 2.377 10 30 DEEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc(C#N)ccn1 ZINC000407994416 405085280 /nfs/dbraw/zinc/08/52/80/405085280.db2.gz BRQYJJWIZFGVDH-HNNXBMFYSA-N 0 0 309.373 2.281 10 30 DEEERN N#CC1CCC(CNC(=O)[C@]2(O)CCc3ccccc3C2)CC1 ZINC000367641922 405111792 /nfs/dbraw/zinc/11/17/92/405111792.db2.gz GHPLXPFFKZAWNJ-ZOJXTTQQSA-N 0 0 312.413 2.353 10 30 DEEERN N#CC1CCC(CNC(=O)[C@@]2(O)CCc3ccccc3C2)CC1 ZINC000367641921 405111986 /nfs/dbraw/zinc/11/19/86/405111986.db2.gz GHPLXPFFKZAWNJ-JFIBYHEFSA-N 0 0 312.413 2.353 10 30 DEEERN C=CCNC(=O)c1ccccc1N[C@H]1CCN(C(C)(C)C)C1=O ZINC000424564079 405117182 /nfs/dbraw/zinc/11/71/82/405117182.db2.gz LMFAWYFLEKUGJX-HNNXBMFYSA-N 0 0 315.417 2.414 10 30 DEEERN C=CCC1(C(=O)N2CCN(Cc3ccco3)CC2)CCOCC1 ZINC000424575340 405120131 /nfs/dbraw/zinc/12/01/31/405120131.db2.gz ZWKSDQIRDCSIND-UHFFFAOYSA-N 0 0 318.417 2.297 10 30 DEEERN C=CCC1(C(=O)NC[C@@H](CC(C)C)C(=O)OC)CCOCC1 ZINC000424677929 405147277 /nfs/dbraw/zinc/14/72/77/405147277.db2.gz AXIMZTCYNRDXSS-CQSZACIVSA-N 0 0 311.422 2.311 10 30 DEEERN C=CCC1(C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)CCOCC1 ZINC000424673797 405145687 /nfs/dbraw/zinc/14/56/87/405145687.db2.gz ZJWGBCXRMXHUJD-GJZGRUSLSA-N 0 0 322.449 2.123 10 30 DEEERN C=CCC1(C(=O)NC[C@@H](CO)c2ccccc2)CCOCC1 ZINC000424707356 405155795 /nfs/dbraw/zinc/15/57/95/405155795.db2.gz CKUGEMKFVVYHRQ-INIZCTEOSA-N 0 0 303.402 2.252 10 30 DEEERN N#Cc1cc(S(=O)(=O)N2CCCCCO2)ccc1Cl ZINC000408287370 405162542 /nfs/dbraw/zinc/16/25/42/405162542.db2.gz QTLMZPFMAYXCBZ-UHFFFAOYSA-N 0 0 300.767 2.318 10 30 DEEERN C=CCCn1cc(C(=O)N2CCC3(CCC(O)CC3)CC2)nn1 ZINC000424847255 405194054 /nfs/dbraw/zinc/19/40/54/405194054.db2.gz HOOXADUEKFIUSK-UHFFFAOYSA-N 0 0 318.421 2.012 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1nnc(C2CCCC2)o1 ZINC000424930290 405214366 /nfs/dbraw/zinc/21/43/66/405214366.db2.gz FCGLFYRRGBTKRB-KBPBESRZSA-N 0 0 319.405 2.367 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 ZINC000424932575 405215180 /nfs/dbraw/zinc/21/51/80/405215180.db2.gz NPGPTKBDJPOQIC-QRTARXTBSA-N 0 0 301.386 2.314 10 30 DEEERN C=CCC1(C(=O)N[C@H](C)C2(OC)CCOCC2)CCOCC1 ZINC000425626704 405308695 /nfs/dbraw/zinc/30/86/95/405308695.db2.gz UJPMDVQEFLAUNZ-CQSZACIVSA-N 0 0 311.422 2.060 10 30 DEEERN CCOC(=O)c1cc(NC(=O)c2sccc2C#N)cn1C ZINC000440474415 405313253 /nfs/dbraw/zinc/31/32/53/405313253.db2.gz BROGWVOEUSHEIP-UHFFFAOYSA-N 0 0 303.343 2.387 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC[C@H]1CCCC[C@@H]1O ZINC000425846745 405323911 /nfs/dbraw/zinc/32/39/11/405323911.db2.gz BYTVNLBZSRAWOX-UGUYLWEFSA-N 0 0 310.438 2.208 10 30 DEEERN C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1cc(C#N)ccn1 ZINC000440866835 405330034 /nfs/dbraw/zinc/33/00/34/405330034.db2.gz BVKOMOWROHBWEA-CYBMUJFWSA-N 0 0 322.368 2.029 10 30 DEEERN C=CCN1CC[C@H](N2CCC[C@@H](C)[C@H]2C(=O)OC(C)(C)C)C1=O ZINC000425505145 405299255 /nfs/dbraw/zinc/29/92/55/405299255.db2.gz ARCSLJOESKLPKM-ILXRZTDVSA-N 0 0 322.449 2.216 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)NCC[C@@](C)(O)COC ZINC000455207148 405386912 /nfs/dbraw/zinc/38/69/12/405386912.db2.gz PDUPGCXJDDBKFK-OAHLLOKOSA-N 0 0 312.435 2.233 10 30 DEEERN C=C(C)CCNC(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000455332542 405398604 /nfs/dbraw/zinc/39/86/04/405398604.db2.gz YBKGHQRPBKNZPO-MRXNPFEDSA-N 0 0 304.390 2.442 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@@](C)(CO)C(C)C)c(OC)c1 ZINC000427376309 405402308 /nfs/dbraw/zinc/40/23/08/405402308.db2.gz LGHHDCFLPRMMMC-SFHVURJKSA-N 0 0 321.417 2.326 10 30 DEEERN C=CCNC(=O)CN1CCN(Cc2ccc(C)cc2Cl)CC1 ZINC000447122917 405403182 /nfs/dbraw/zinc/40/31/82/405403182.db2.gz WHGYSIQWRTUPTK-UHFFFAOYSA-N 0 0 321.852 2.068 10 30 DEEERN C=CC(C)(C)CNC(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000455400430 405405110 /nfs/dbraw/zinc/40/51/10/405405110.db2.gz BYTXOAQYWJVOOV-UHFFFAOYSA-N 0 0 305.353 2.445 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000455493590 405417375 /nfs/dbraw/zinc/41/73/75/405417375.db2.gz YROMPNNOFVLYKZ-RBSFLKMASA-N 0 0 304.390 2.177 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000427659734 405418163 /nfs/dbraw/zinc/41/81/63/405418163.db2.gz LMANKZAZBHWQRN-GXTWGEPZSA-N 0 0 316.405 2.360 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(CC(=O)OC)cc1 ZINC000454597283 405369435 /nfs/dbraw/zinc/36/94/35/405369435.db2.gz GCNDSAHZGUSKMX-CABCVRRESA-N 0 0 318.373 2.257 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000448647620 405431876 /nfs/dbraw/zinc/43/18/76/405431876.db2.gz JBEQREYGXXTSSX-INIZCTEOSA-N 0 0 313.332 2.250 10 30 DEEERN N#CCc1cccc(NC(=O)NCC(=O)NC2CCCCC2)c1 ZINC000455923436 405461983 /nfs/dbraw/zinc/46/19/83/405461983.db2.gz SZWNUGGWZQFHGW-UHFFFAOYSA-N 0 0 314.389 2.323 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1sc([C@@H]2CCCOC2)nc1C ZINC000456772480 405559319 /nfs/dbraw/zinc/55/93/19/405559319.db2.gz WXHUCDGYWVXKIK-OLZOCXBDSA-N 0 0 324.446 2.402 10 30 DEEERN C=CCC[C@H](CO)NC(=O)[C@@H](C)CC(=O)c1ccc(OC)cc1 ZINC000456758538 405550819 /nfs/dbraw/zinc/55/08/19/405550819.db2.gz COCHFWNTTGXMRS-DZGCQCFKSA-N 0 0 319.401 2.347 10 30 DEEERN C=CCC[C@H](CO)NC(=O)[C@H](C)CC(=O)c1ccc(OC)cc1 ZINC000456758541 405551356 /nfs/dbraw/zinc/55/13/56/405551356.db2.gz COCHFWNTTGXMRS-UKRRQHHQSA-N 0 0 319.401 2.347 10 30 DEEERN C=CCN(CCOC)C(=O)C[C@H](n1ccnc1)C(F)(F)F ZINC000635848839 405551412 /nfs/dbraw/zinc/55/14/12/405551412.db2.gz RUGNRQREVOEGAK-NSHDSACASA-N 0 0 305.300 2.038 10 30 DEEERN C=C1CC(C)(C(=O)N[C@H](C)C(=O)NCCc2ccccc2)C1 ZINC000633382424 405610688 /nfs/dbraw/zinc/61/06/88/405610688.db2.gz OJBAVDRYQGDGSS-CQSZACIVSA-N 0 0 300.402 2.206 10 30 DEEERN COc1ccc(Cn2cc(Nc3ccncc3C#N)cn2)cc1 ZINC000557725978 405624060 /nfs/dbraw/zinc/62/40/60/405624060.db2.gz FFOFIGPPWDZGSI-UHFFFAOYSA-N 0 0 305.341 2.372 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCC(S(C)(=O)=O)CC1 ZINC000633411462 405629086 /nfs/dbraw/zinc/62/90/86/405629086.db2.gz SRUVMXOGIUUDDO-UHFFFAOYSA-N 0 0 316.467 2.197 10 30 DEEERN C=CCOc1ccc(CNC(=O)N2C[C@H](O)C[C@H](C)C2)cc1 ZINC000458752737 405571871 /nfs/dbraw/zinc/57/18/71/405571871.db2.gz BRRCQUDCEINVKK-DZGCQCFKSA-N 0 0 304.390 2.164 10 30 DEEERN C=CCn1c(C(C)C)nnc1N1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000558674519 405686685 /nfs/dbraw/zinc/68/66/85/405686685.db2.gz CBHCBTSWTAZTLI-WMLDXEAASA-N 0 0 320.437 2.362 10 30 DEEERN C=CC(C)(C)CNC(=O)N(C)C1CCN(c2cnccn2)CC1 ZINC000458992846 405681871 /nfs/dbraw/zinc/68/18/71/405681871.db2.gz WQSCPBNKEBCZPH-UHFFFAOYSA-N 0 0 317.437 2.299 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(-c2cccc(O)c2)on1 ZINC000636055939 405710241 /nfs/dbraw/zinc/71/02/41/405710241.db2.gz FQQCIZYKEQSBAY-WFASDCNBSA-N 0 0 314.341 2.368 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000559006289 405715656 /nfs/dbraw/zinc/71/56/56/405715656.db2.gz MNULVPQIXDBXRZ-KRWDZBQOSA-N 0 0 320.437 2.191 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000559011398 405715956 /nfs/dbraw/zinc/71/59/56/405715956.db2.gz SVGYMWCUERAPSN-YOEHRIQHSA-N 0 0 320.437 2.191 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000457133381 405717179 /nfs/dbraw/zinc/71/71/79/405717179.db2.gz RECDAPCQNRUZPN-STQMWFEESA-N 0 0 321.446 2.418 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000494655785 405739074 /nfs/dbraw/zinc/73/90/74/405739074.db2.gz RUJFFYDKLRDZPE-CABCVRRESA-N 0 0 315.421 2.196 10 30 DEEERN C=CCC1(C(=O)N2CCN(C(=O)CC#N)CC2)CCCCC1 ZINC000450127021 405750062 /nfs/dbraw/zinc/75/00/62/405750062.db2.gz PQYGJVFYIZYVHO-UHFFFAOYSA-N 0 0 303.406 2.097 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)c2cccc3c2NC(=O)CO3)C1 ZINC000636170530 405789618 /nfs/dbraw/zinc/78/96/18/405789618.db2.gz BARKYIRHXOJSIB-GFCCVEGCSA-N 0 0 300.358 2.446 10 30 DEEERN C=CCCC(C)(C)CNC(=O)CSc1nnnn1C1CC1 ZINC000633963005 405931767 /nfs/dbraw/zinc/93/17/67/405931767.db2.gz CTGSQSQDLGNJOR-UHFFFAOYSA-N 0 0 309.439 2.209 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1ccc(C)c(S(N)(=O)=O)c1 ZINC000633963240 405931781 /nfs/dbraw/zinc/93/17/81/405931781.db2.gz GXJUALJHPUPGPI-UHFFFAOYSA-N 0 0 324.446 2.365 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1sccc1S(N)(=O)=O ZINC000633966550 405933522 /nfs/dbraw/zinc/93/35/22/405933522.db2.gz PAQUVFBWPBOFRM-UHFFFAOYSA-N 0 0 316.448 2.118 10 30 DEEERN C=CCCC(C)(C)CNC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000633967131 405935489 /nfs/dbraw/zinc/93/54/89/405935489.db2.gz ZFRXCASVKVAGJJ-OKILXGFUSA-N 0 0 318.417 2.046 10 30 DEEERN CC(=O)NCc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000531385307 405952019 /nfs/dbraw/zinc/95/20/19/405952019.db2.gz JBJYABFARNINPR-UHFFFAOYSA-N 0 0 307.353 2.376 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@@H]2C[C@H](C)O[C@H]2C)c(OC)c1 ZINC000634015865 405959426 /nfs/dbraw/zinc/95/94/26/405959426.db2.gz RDNXWKNDOLZZHO-KCQAQPDRSA-N 0 0 319.401 2.485 10 30 DEEERN N#CC1(CNC(=O)[C@@H]2CCCN2c2ncnc3ccccc32)CC1 ZINC000562437174 406009896 /nfs/dbraw/zinc/00/98/96/406009896.db2.gz YPMZMTZOZPCPBE-HNNXBMFYSA-N 0 0 321.384 2.019 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCc1ccccc1F ZINC000636469558 405975522 /nfs/dbraw/zinc/97/55/22/405975522.db2.gz NUSDPLIWAAOTET-UHFFFAOYSA-N 0 0 306.381 2.203 10 30 DEEERN C=CCOCCCC(=O)N[C@@](C)(CO)Cc1ccccc1F ZINC000634279543 406080390 /nfs/dbraw/zinc/08/03/90/406080390.db2.gz PNMPNRBHYJKIPW-QGZVFWFLSA-N 0 0 309.381 2.218 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)C1CCC(C)CC1 ZINC000632301200 406083967 /nfs/dbraw/zinc/08/39/67/406083967.db2.gz PQOMULQBEOFDSX-SHWKFHJASA-N 0 0 301.452 2.466 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1C[C@H](OC(C)C)C1(C)C ZINC000566141199 406086678 /nfs/dbraw/zinc/08/66/78/406086678.db2.gz RPDVCRJIZTZYHU-AJNGGQMLSA-N 0 0 310.438 2.469 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000636810786 406088091 /nfs/dbraw/zinc/08/80/91/406088091.db2.gz LUWPZYHXLIKEQF-ZIAGYGMSSA-N 0 0 310.438 2.026 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1Cc2ccccc2NC(=O)C1 ZINC000567122922 406094238 /nfs/dbraw/zinc/09/42/38/406094238.db2.gz VUNSRPOTNWRDSC-KRWDZBQOSA-N 0 0 302.374 2.196 10 30 DEEERN Cc1nc(CCNC(=O)NCC2CCC(C#N)CC2)c(C)o1 ZINC000567401810 406095830 /nfs/dbraw/zinc/09/58/30/406095830.db2.gz BIMFWVSBKQEBTD-UHFFFAOYSA-N 0 0 304.394 2.463 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000451100977 406051356 /nfs/dbraw/zinc/05/13/56/406051356.db2.gz ZUMFISYCHVFDFK-UHFFFAOYSA-N 0 0 300.402 2.101 10 30 DEEERN C=CCN(Cc1cccs1)c1nnc([C@H]2COCCO2)n1C ZINC000514831181 406054547 /nfs/dbraw/zinc/05/45/47/406054547.db2.gz KEEMXOYTWMZJKZ-CYBMUJFWSA-N 0 0 320.418 2.157 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H]1CSc2ccccc2O1 ZINC000514933911 406056026 /nfs/dbraw/zinc/05/60/26/406056026.db2.gz DEXNKHMMBHWPNR-UPJWGTAASA-N 0 0 320.414 2.182 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)C[C@@H]1CCOC1 ZINC000636769808 406076675 /nfs/dbraw/zinc/07/66/75/406076675.db2.gz DMPVCLQIIFPNQT-KBPBESRZSA-N 0 0 310.438 2.026 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1cc(C)cc(OC)c1 ZINC000636768590 406076936 /nfs/dbraw/zinc/07/69/36/406076936.db2.gz XTNFHJIPMLMAJA-UHFFFAOYSA-N 0 0 318.417 2.338 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC1([C@H]2CCCCO2)CCC1 ZINC000634332898 406103660 /nfs/dbraw/zinc/10/36/60/406103660.db2.gz BFNXLWPZEVGOGG-JKSUJKDBSA-N 0 0 322.449 2.313 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C)c1cnc(C)s1 ZINC000637042789 406159780 /nfs/dbraw/zinc/15/97/80/406159780.db2.gz QPKOUQQCNKFGTE-JTQLQIEISA-N 0 0 309.435 2.347 10 30 DEEERN C=CCCCCNC(=O)NC[C@H]1c2ccccc2C(=O)N1C ZINC000637054676 406163623 /nfs/dbraw/zinc/16/36/23/406163623.db2.gz BQTPFSDBGPWZEL-HNNXBMFYSA-N 0 0 301.390 2.469 10 30 DEEERN C=CCn1c(Cc2cc(C)[nH]n2)nnc1N1CC[C@H](C)[C@@H](F)C1 ZINC000634337086 406105209 /nfs/dbraw/zinc/10/52/09/406105209.db2.gz DFBKSUKKPKPCGF-FZMZJTMJSA-N 0 0 318.400 2.271 10 30 DEEERN C=CCN(Cc1c(C)cc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000639531561 406131941 /nfs/dbraw/zinc/13/19/41/406131941.db2.gz JXOLKQNUQOAQPZ-OAHLLOKOSA-N 0 0 308.447 2.182 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[C@H](OCC)C1 ZINC000632424631 406133057 /nfs/dbraw/zinc/13/30/57/406133057.db2.gz SCQMFPGAMYKXJE-AWEZNQCLSA-N 0 0 310.438 2.123 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC000632547232 406178422 /nfs/dbraw/zinc/17/84/22/406178422.db2.gz DJGNNGPUPHLDSA-AWEZNQCLSA-N 0 0 310.344 2.377 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000632593651 406193486 /nfs/dbraw/zinc/19/34/86/406193486.db2.gz BHLMIFRVFNVXGL-HIFRSBDPSA-N 0 0 322.449 2.121 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CCCC[C@@H]1CC ZINC000568594541 406219443 /nfs/dbraw/zinc/21/94/43/406219443.db2.gz WHRCYMGDWNYOIR-ZDUSSCGKSA-N 0 0 315.425 2.337 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC1CN(c2ccncn2)C1 ZINC000637262272 406233877 /nfs/dbraw/zinc/23/38/77/406233877.db2.gz ABIZKTIDIHRKKL-UKRRQHHQSA-N 0 0 315.421 2.099 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)N1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000637265119 406234603 /nfs/dbraw/zinc/23/46/03/406234603.db2.gz QNCXUBJLTBMXOH-AHCXZYCDSA-N 0 0 324.465 2.144 10 30 DEEERN C=CCNC(=O)c1ccc(NC[C@@H](CO)c2ccccc2)nc1 ZINC000487668969 406256063 /nfs/dbraw/zinc/25/60/63/406256063.db2.gz VSFILUJVCQVNLE-INIZCTEOSA-N 0 0 311.385 2.185 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCOC[C@@H]1c1noc(C)n1 ZINC000637621065 406368390 /nfs/dbraw/zinc/36/83/90/406368390.db2.gz LGKMIKIOWPOJMW-CYBMUJFWSA-N 0 0 322.409 2.453 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N(C)[C@@H](C)CN1CCOCC1 ZINC000637622223 406369280 /nfs/dbraw/zinc/36/92/80/406369280.db2.gz ZISVKJKUDWZHQT-HNNXBMFYSA-N 0 0 311.470 2.341 10 30 DEEERN C=CCCCS(=O)(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000489103667 406377041 /nfs/dbraw/zinc/37/70/41/406377041.db2.gz HKRXLWLYHLUSGR-UHFFFAOYSA-N 0 0 313.810 2.373 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000637648610 406378109 /nfs/dbraw/zinc/37/81/09/406378109.db2.gz JQOSUTIOYWQKAJ-XJKCOSOUSA-N 0 0 322.405 2.426 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cnn(CC2CC2)c1 ZINC000635259611 406477883 /nfs/dbraw/zinc/47/78/83/406477883.db2.gz FVYNNFPEIHFCKV-UHFFFAOYSA-N 0 0 318.421 2.340 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000635275732 406484020 /nfs/dbraw/zinc/48/40/20/406484020.db2.gz LDPNIIZQYUKNLJ-DVOMOZLQSA-N 0 0 316.401 2.426 10 30 DEEERN C[C@H](C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1)n1cnc(C#N)n1 ZINC000524092232 406439573 /nfs/dbraw/zinc/43/95/73/406439573.db2.gz IWZUGVWRLUGIAC-BMFZPTHFSA-N 0 0 323.400 2.238 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC1C[C@@H](C)O[C@H](C)C1 ZINC000571397487 406514748 /nfs/dbraw/zinc/51/47/48/406514748.db2.gz XAPPWMPQHBYCQN-VDERGJSUSA-N 0 0 310.438 2.470 10 30 DEEERN N#Cc1cnccc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000548481766 406521273 /nfs/dbraw/zinc/52/12/73/406521273.db2.gz KKCPXJQYQHYMQB-UHFFFAOYSA-N 0 0 309.329 2.188 10 30 DEEERN Cc1ccc([C@H](CNc2ccncc2C#N)N2CCOCC2)cc1 ZINC000548481972 406521609 /nfs/dbraw/zinc/52/16/09/406521609.db2.gz GKBXNNZRJQLYJS-IBGZPJMESA-N 0 0 322.412 2.169 10 30 DEEERN C=C(C)COCCNC(=O)C[C@H](n1ccnc1)C(F)(F)F ZINC000635688291 406680668 /nfs/dbraw/zinc/68/06/68/406680668.db2.gz AIHBSXCQKBROCC-NSHDSACASA-N 0 0 305.300 2.086 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccncc1C(F)(F)F ZINC000574750090 406785861 /nfs/dbraw/zinc/78/58/61/406785861.db2.gz JZVWJERZTZRPKU-CABZTGNLSA-N 0 0 300.280 2.421 10 30 DEEERN C[C@@H]1C(c2cccs2)=[N+]([O-])[C@@](C)(C(=O)c2cccs2)N1O ZINC000575330125 406807111 /nfs/dbraw/zinc/80/71/11/406807111.db2.gz RWZRIGPHTPWRRH-QGEQEPOMSA-N 0 0 323.419 2.098 10 30 DEEERN N#Cc1ccc(OC(F)F)c(O)c1I ZINC000575661280 406816342 /nfs/dbraw/zinc/81/63/42/406816342.db2.gz CUQFPDBNHBHJLJ-UHFFFAOYSA-N 0 0 311.025 2.470 10 30 DEEERN CCOC(=O)Cc1cc(C=O)cc(OC(F)(F)F)c1C#N ZINC000575391574 406809017 /nfs/dbraw/zinc/80/90/17/406809017.db2.gz VWLAKBRFMJVHDM-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN CCOC(=O)Cc1cc(C=O)c(C#N)c(OC(F)(F)F)c1 ZINC000575390862 406809067 /nfs/dbraw/zinc/80/90/67/406809067.db2.gz HEWWTOZQWZOMTL-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN CCOc1cc(I)c(CC#N)cc1N ZINC000575717035 406823654 /nfs/dbraw/zinc/82/36/54/406823654.db2.gz AVFOAKNZBKLCRN-UHFFFAOYSA-N 0 0 302.115 2.338 10 30 DEEERN N#CC1(N(C(=O)Cn2cc(-c3ccccc3)nn2)C2CC2)CCC1 ZINC000575967899 406827867 /nfs/dbraw/zinc/82/78/67/406827867.db2.gz GESKDEPHSLSEFK-UHFFFAOYSA-N 0 0 321.384 2.382 10 30 DEEERN C=CCCCCCNC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC000577125015 406835461 /nfs/dbraw/zinc/83/54/61/406835461.db2.gz WKHDROWUQAHMRY-ZIAGYGMSSA-N 0 0 314.451 2.094 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2C[C@H](OCC)[C@]23CCCO3)CCOCC1 ZINC000577216632 406836117 /nfs/dbraw/zinc/83/61/17/406836117.db2.gz STTFKYSHBHCROH-VKJFTORMSA-N 0 0 323.433 2.202 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000129817937 196077847 /nfs/dbraw/zinc/07/78/47/196077847.db2.gz FKUICPJGAXHOIU-CQSZACIVSA-N 0 0 323.400 2.326 10 30 DEEERN COc1cccc([C@@H]2CN(C(=O)c3ccc(C#N)cn3)CCO2)c1 ZINC000130813389 196112108 /nfs/dbraw/zinc/11/21/08/196112108.db2.gz TYUSTLZWVMHYDG-KRWDZBQOSA-N 0 0 323.352 2.176 10 30 DEEERN Cc1cc(C#CCCO)cc(C(=O)NCc2nccs2)c1 ZINC000131605497 196183869 /nfs/dbraw/zinc/18/38/69/196183869.db2.gz VMVOJDHTMVLZDW-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN Cc1cc(C#CCO)cc(C(=O)NC[C@H]2CCCCS2)c1 ZINC000131686197 196191158 /nfs/dbraw/zinc/19/11/58/196191158.db2.gz CISYGQWGIMNPAM-MRXNPFEDSA-N 0 0 303.427 2.354 10 30 DEEERN N#Cc1cccc(S(=O)(=O)Nc2c(N)cc(F)cc2F)c1 ZINC000132312407 196244841 /nfs/dbraw/zinc/24/48/41/196244841.db2.gz GHVBGDHBXNZSKY-UHFFFAOYSA-N 0 0 309.297 2.219 10 30 DEEERN C#CCCCCNC(=O)C(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000133128841 196314449 /nfs/dbraw/zinc/31/44/49/196314449.db2.gz NHUJCRFNFRTXDJ-UHFFFAOYSA-N 0 0 324.384 2.039 10 30 DEEERN Cc1ccn(-c2ccccc2CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC000134325294 196379016 /nfs/dbraw/zinc/37/90/16/196379016.db2.gz LXMBHZDIZUGNPB-UHFFFAOYSA-N 0 0 305.341 2.311 10 30 DEEERN CCSc1cccc(Sc2nc(N)cc(=O)[nH]2)c1C#N ZINC000136993873 196559745 /nfs/dbraw/zinc/55/97/45/196559745.db2.gz FACGMUOQUCEWPV-UHFFFAOYSA-N 0 0 304.400 2.487 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC000137000157 196560191 /nfs/dbraw/zinc/56/01/91/196560191.db2.gz KGVDBAHHOLPYPJ-LLVKDONJSA-N 0 0 323.393 2.258 10 30 DEEERN Cc1nnc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)n1C1CC1 ZINC000189027614 225040913 /nfs/dbraw/zinc/04/09/13/225040913.db2.gz BUUNSLPJPYAMJE-UHFFFAOYSA-N 0 0 321.384 2.141 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N(CC(C)(C)O)C1CC1 ZINC000190072748 225073224 /nfs/dbraw/zinc/07/32/24/225073224.db2.gz BTBYWZXUHKAHMJ-LBPRGKRZSA-N 0 0 302.374 2.087 10 30 DEEERN Cc1ccc(C(=O)NCC(=O)NC2(C#N)CCCCC2)cc1C ZINC000192772989 225142256 /nfs/dbraw/zinc/14/22/56/225142256.db2.gz ZOXHDYRFDZSIPQ-UHFFFAOYSA-N 0 0 313.401 2.376 10 30 DEEERN N#CCOc1ccccc1C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000194199297 225176455 /nfs/dbraw/zinc/17/64/55/225176455.db2.gz NJGCKPJOXHFZIM-GDBMZVCRSA-N 0 0 300.358 2.373 10 30 DEEERN CCOc1cncc(N2CC[C@@H](n3ccc(NC(C)=O)n3)C2)n1 ZINC000328611058 225773297 /nfs/dbraw/zinc/77/32/97/225773297.db2.gz KETRASCGFDGRNY-GFCCVEGCSA-N 0 0 316.365 2.131 10 30 DEEERN N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000333360661 226104751 /nfs/dbraw/zinc/10/47/51/226104751.db2.gz HBYKDJZFPAJMPH-SOUVJXGZSA-N 0 0 321.421 2.096 10 30 DEEERN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000333558434 226107823 /nfs/dbraw/zinc/10/78/23/226107823.db2.gz KNZQMUXTDLFZLH-TTZDDIAXSA-N 0 0 316.405 2.086 10 30 DEEERN N#C[C@H]1CN(C(=O)Nc2cc(F)cc(F)c2)CCN1C1CC1 ZINC000369219469 227027464 /nfs/dbraw/zinc/02/74/64/227027464.db2.gz OMYYWUWADZVOET-AWEZNQCLSA-N 0 0 306.316 2.169 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cc(Cl)ccc2F)CCN1C1CC1 ZINC000370972923 227061965 /nfs/dbraw/zinc/06/19/65/227061965.db2.gz MQXZJQKBRQQRLI-LBPRGKRZSA-N 0 0 307.756 2.291 10 30 DEEERN N#C[C@H]1CN(C(=O)CCc2cccc(F)c2F)CCN1C1CC1 ZINC000370984768 227062293 /nfs/dbraw/zinc/06/22/93/227062293.db2.gz JEWNMJGSEDCTMB-AWEZNQCLSA-N 0 0 319.355 2.096 10 30 DEEERN C[C@H](OC1CCCCCC1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000372788717 227098215 /nfs/dbraw/zinc/09/82/15/227098215.db2.gz QQZQBKKHCUSPSX-GOEBONIOSA-N 0 0 319.449 2.313 10 30 DEEERN CSc1cccc(F)c1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000373988407 227122806 /nfs/dbraw/zinc/12/28/06/227122806.db2.gz AKYQBPIUAJGKNP-GFCCVEGCSA-N 0 0 319.405 2.360 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000407996496 227226134 /nfs/dbraw/zinc/22/61/34/227226134.db2.gz FMVARWNKXXWSBX-UFBFGSQYSA-N 0 0 302.758 2.450 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000408340051 227232010 /nfs/dbraw/zinc/23/20/10/227232010.db2.gz UAXRERDYUNNXHS-CPCISQLKSA-N 0 0 304.293 2.074 10 30 DEEERN Cn1c(Sc2ccc(C#N)nn2)nnc1-c1ccccc1F ZINC000301946645 229996014 /nfs/dbraw/zinc/99/60/14/229996014.db2.gz XPBJUYGUJFSTPY-UHFFFAOYSA-N 0 0 312.333 2.434 10 30 DEEERN Cn1cc(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)nn1 ZINC000619489443 422530456 /nfs/dbraw/zinc/53/04/56/422530456.db2.gz FMDPJQSPACVNDZ-UHFFFAOYSA-N 0 0 321.388 2.225 10 30 DEEERN N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cccc(O)c2)n1 ZINC000358380370 424823420 /nfs/dbraw/zinc/82/34/20/424823420.db2.gz PMWLKQFJYYCZNX-UHFFFAOYSA-N 0 0 322.299 2.841 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000045052955 424815480 /nfs/dbraw/zinc/81/54/80/424815480.db2.gz MNWLJSRKFKAGAF-UHFFFAOYSA-N 0 0 316.401 2.192 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(-c2ccccc2)on1 ZINC000568504363 424919542 /nfs/dbraw/zinc/91/95/42/424919542.db2.gz YMYGZLUHJIFMQV-KBPBESRZSA-N 0 0 313.357 3.054 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)Nc1nnc(OC)s1 ZINC000338472214 424937236 /nfs/dbraw/zinc/93/72/36/424937236.db2.gz RWQUFUFMHFONGN-UHFFFAOYSA-N 0 0 310.404 2.828 10 30 DEEERN C=CC[C@@H](CC)NC(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000374072275 424888978 /nfs/dbraw/zinc/88/89/78/424888978.db2.gz OIBGGRGHNUWCSB-SECBINFHSA-N 0 0 306.395 2.713 10 30 DEEERN C=C(C)Cn1c(Nc2ccn(C)n2)nnc1[C@@H]1CCCS1 ZINC000424248313 424992179 /nfs/dbraw/zinc/99/21/79/424992179.db2.gz OBENLPCBZRNJOA-NSHDSACASA-N 0 0 304.423 2.899 10 30 DEEERN C=CCNc1ncc(C(=O)Nc2ccc(O)c(OC)c2)s1 ZINC000438567603 425036359 /nfs/dbraw/zinc/03/63/59/425036359.db2.gz NHPPCINFGGVGLY-UHFFFAOYSA-N 0 0 305.359 2.708 10 30 DEEERN C=CCOc1ccccc1CNc1nnc(-c2cnn(C)c2)o1 ZINC000446946662 425052315 /nfs/dbraw/zinc/05/23/15/425052315.db2.gz ASURRQJWEDABBE-UHFFFAOYSA-N 0 0 311.345 2.647 10 30 DEEERN C=CCC[C@H](CO)NC(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1 ZINC000455130513 425094559 /nfs/dbraw/zinc/09/45/59/425094559.db2.gz CAUADDQUAMWPNX-GXTWGEPZSA-N 0 0 306.410 2.611 10 30 DEEERN CCC(CC)(CC(=O)OC)NC(=O)Cc1cccc(C#N)c1 ZINC000531151356 266994937 /nfs/dbraw/zinc/99/49/37/266994937.db2.gz IGYGQDIDSWAVPB-UHFFFAOYSA-N 0 0 302.374 2.339 10 30 DEEERN COC(=O)CCN(CC(C)C)C(=O)Cc1cccc(C#N)c1 ZINC000531145970 267361756 /nfs/dbraw/zinc/36/17/56/267361756.db2.gz TUWOZBIBKGIORH-UHFFFAOYSA-N 0 0 302.374 2.148 10 30 DEEERN Cc1csc(CNC(=O)NCCOc2ccc(C#N)cc2)n1 ZINC000174730043 267549124 /nfs/dbraw/zinc/54/91/24/267549124.db2.gz PVBHLHANFDAPGY-UHFFFAOYSA-N 0 0 316.386 2.201 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2cn3ccnc3s2)cc1 ZINC000188563645 268176261 /nfs/dbraw/zinc/17/62/61/268176261.db2.gz KNHSYBSMLMNTOB-UHFFFAOYSA-N 0 0 312.354 2.076 10 30 DEEERN N#Cc1cccc(CC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c1 ZINC000531151848 268276957 /nfs/dbraw/zinc/27/69/57/268276957.db2.gz AAUFSCBJQMGGOJ-QGZVFWFLSA-N 0 0 319.364 2.022 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccc(NC(=O)C3CC3)nc2)c1 ZINC000531151730 268278007 /nfs/dbraw/zinc/27/80/07/268278007.db2.gz LOXIPKRPMOQWQW-UHFFFAOYSA-N 0 0 320.352 2.483 10 30 DEEERN Cc1nsc(NC(=O)[C@@H]2CCCc3nn(C)cc32)c1C#N ZINC000333907988 269003670 /nfs/dbraw/zinc/00/36/70/269003670.db2.gz VWXODYZJSBTGRY-SECBINFHSA-N 0 0 301.375 2.115 10 30 DEEERN CC1(C#N)CCN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 ZINC000408157747 276096761 /nfs/dbraw/zinc/09/67/61/276096761.db2.gz GGEVAIPINXHIOM-UHFFFAOYSA-N 0 0 314.345 2.175 10 30 DEEERN CN(C(=O)C(C)(C)Oc1ccc(C#N)cc1)c1nncs1 ZINC000184314007 276730697 /nfs/dbraw/zinc/73/06/97/276730697.db2.gz KSXOUEDXQWIWGV-UHFFFAOYSA-N 0 0 302.359 2.230 10 30 DEEERN CC#CCNC(=O)N[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000189560050 276932257 /nfs/dbraw/zinc/93/22/57/276932257.db2.gz XVYQXSUHHGSYDU-OAHLLOKOSA-N 0 0 313.401 2.040 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1CCC2(CCN(C)C2=O)CC1 ZINC000444865428 277106839 /nfs/dbraw/zinc/10/68/39/277106839.db2.gz NQUMALGASBCCKL-UHFFFAOYSA-N 0 0 311.385 2.210 10 30 DEEERN CN1C[C@H](Nc2ccc(C#N)cc2Br)CCC1=O ZINC000119347332 277205584 /nfs/dbraw/zinc/20/55/84/277205584.db2.gz ONCSAXLJFRACPD-SNVBAGLBSA-N 0 0 308.179 2.353 10 30 DEEERN C#CCCCCC(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1C ZINC000183699075 277671581 /nfs/dbraw/zinc/67/15/81/277671581.db2.gz AIIVECIFGISXEE-QGZVFWFLSA-N 0 0 316.376 2.327 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21)OCC ZINC000339486009 277798223 /nfs/dbraw/zinc/79/82/23/277798223.db2.gz BNSXZSNJLLJJDJ-QXSJWSMHSA-N 0 0 311.422 2.153 10 30 DEEERN C=C(CNC(=O)N[C@@H]1CCCCC[C@H]1C(N)=O)c1ccccc1 ZINC000358589423 277810468 /nfs/dbraw/zinc/81/04/68/277810468.db2.gz MNUQZZGMOTZLKG-HZPDHXFCSA-N 0 0 315.417 2.433 10 30 DEEERN C=CCC(F)(F)C(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000293508014 277823189 /nfs/dbraw/zinc/82/31/89/277823189.db2.gz XSSVOHUKSIBIMX-NEPJUHHUSA-N 0 0 315.316 2.142 10 30 DEEERN COc1ccnc(N2CCN([C@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000172396737 278066009 /nfs/dbraw/zinc/06/60/09/278066009.db2.gz VNJFKOCVUWCFLB-CQSZACIVSA-N 0 0 323.400 2.240 10 30 DEEERN CSc1ccc(N2CCc3c(C#N)c(N)sc3C2)nn1 ZINC000301521050 278173235 /nfs/dbraw/zinc/17/32/35/278173235.db2.gz LGYURJZWLWCZPR-UHFFFAOYSA-N 0 0 303.416 2.277 10 30 DEEERN CC(C)c1cccc(S(=O)(=O)N2CCSC[C@@H]2C#N)c1 ZINC000408100748 280636868 /nfs/dbraw/zinc/63/68/68/280636868.db2.gz UNTLDTBCNPNMAA-ZDUSSCGKSA-N 0 0 310.444 2.440 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCCCn1cnc2ccccc21 ZINC000081568355 281605707 /nfs/dbraw/zinc/60/57/07/281605707.db2.gz LMSIXWAETICQOL-UHFFFAOYSA-N 0 0 307.357 2.067 10 30 DEEERN CN1C(=O)C[C@H](NC(=O)C(C)(C)C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000130092677 289839053 /nfs/dbraw/zinc/83/90/53/289839053.db2.gz MHWOQBVWWFPIPS-JSGCOSHPSA-N 0 0 319.792 2.278 10 30 DEEERN COC[C@H](NC(=O)N1CC2(CCC2)[C@@H]1C1CC1)[C@H]1CCCO1 ZINC000329646132 292974922 /nfs/dbraw/zinc/97/49/22/292974922.db2.gz IVRKMPZFZDTESX-ZNMIVQPWSA-N 0 0 308.422 2.359 10 30 DEEERN N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000408340646 303167568 /nfs/dbraw/zinc/16/75/68/303167568.db2.gz OWYMGQLSJXDXRF-RDDDGLTNSA-N 0 0 304.293 2.074 10 30 DEEERN C=C1CCN(c2nnc(-c3nnn(C)c3C)n2CC(C)C)CC1 ZINC000560361042 332334456 /nfs/dbraw/zinc/33/44/56/332334456.db2.gz VGGOTRJIVRUMFP-UHFFFAOYSA-N 0 0 315.425 2.194 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000560566019 332360251 /nfs/dbraw/zinc/36/02/51/332360251.db2.gz PUIWAPGRWXSMGS-GCSSGZNBSA-N 0 0 308.422 2.055 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1C[C@H](C)C[C@H]1C ZINC000562787741 332626372 /nfs/dbraw/zinc/62/63/72/332626372.db2.gz LKNDGTPWPCNXIY-VXGBXAGGSA-N 0 0 315.425 2.193 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Br)cn1 ZINC000580183744 332990269 /nfs/dbraw/zinc/99/02/69/332990269.db2.gz RKWMROXAMIDPGG-CABZTGNLSA-N 0 0 311.179 2.165 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000185710607 333370821 /nfs/dbraw/zinc/37/08/21/333370821.db2.gz IWAZKZKLFGXFIY-ZDUSSCGKSA-N 0 0 305.765 2.193 10 30 DEEERN C=CC[C@@H](CO)Nc1ncccc1I ZINC000308514998 333531300 /nfs/dbraw/zinc/53/13/00/333531300.db2.gz MOOUQCYUCGSGAB-QMMMGPOBSA-N 0 0 304.131 2.035 10 30 DEEERN C=CC[C@H](CC)NC(=O)CCC(=O)Nc1nnc(C2CC2)o1 ZINC000343761960 335191215 /nfs/dbraw/zinc/19/12/15/335191215.db2.gz CFVLVFQPQOHKDY-NSHDSACASA-N 0 0 306.366 2.137 10 30 DEEERN C=CCNC(=O)c1cccc(-c2noc(-c3cnnc(C)c3)n2)c1 ZINC000346122848 335376435 /nfs/dbraw/zinc/37/64/35/335376435.db2.gz RTUQJDGWFFNYSS-UHFFFAOYSA-N 0 0 321.340 2.418 10 30 DEEERN C=CCC1(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)CCC1 ZINC000359174526 336661385 /nfs/dbraw/zinc/66/13/85/336661385.db2.gz KETKPBALHLRAIG-CQSZACIVSA-N 0 0 318.392 2.332 10 30 DEEERN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000170825573 337083043 /nfs/dbraw/zinc/08/30/43/337083043.db2.gz RCPSMWUADZPYQX-FZMZJTMJSA-N 0 0 323.418 2.023 10 30 DEEERN C=C(C)Cn1c(COCC)nnc1N1CCC[C@]2(CCOC2)C1 ZINC000582587864 337110278 /nfs/dbraw/zinc/11/02/78/337110278.db2.gz ASJJMWXWVZASML-KRWDZBQOSA-N 0 0 320.437 2.398 10 30 DEEERN C=CCCCC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000175584530 337147610 /nfs/dbraw/zinc/14/76/10/337147610.db2.gz OFWUREQRMQEPCD-KRWDZBQOSA-N 0 0 302.418 2.221 10 30 DEEERN O=C(C#Cc1ccccc1)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000176255033 337149669 /nfs/dbraw/zinc/14/96/69/337149669.db2.gz KDJKVXRNKFBLIN-INIZCTEOSA-N 0 0 320.396 2.371 10 30 DEEERN C=CCn1cc(CNC(=O)N[C@@H](C)[C@@H]2CC3CCC2CC3)nn1 ZINC000582789556 337166625 /nfs/dbraw/zinc/16/66/25/337166625.db2.gz FFTLMXKDHPQPAI-USPMSXPRSA-N 0 0 317.437 2.478 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000185705581 337250683 /nfs/dbraw/zinc/25/06/83/337250683.db2.gz SHQVHIDKJNSSEY-ZDUSSCGKSA-N 0 0 306.410 2.015 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@@H](C)C[C@H]1C ZINC000583747289 337328575 /nfs/dbraw/zinc/32/85/75/337328575.db2.gz YUKGCPZKPFEYKH-VXGBXAGGSA-N 0 0 315.425 2.193 10 30 DEEERN N#Cc1cnc(OCCNC(=O)c2ccccc2F)c(F)c1 ZINC000584592500 337373613 /nfs/dbraw/zinc/37/36/13/337373613.db2.gz JWYKZBGXAZXULP-UHFFFAOYSA-N 0 0 303.268 2.040 10 30 DEEERN O=S(=O)(O[C@@H]1C[C@H]2O[C@H]2C1)c1ccc(Br)cc1 ZINC000584657347 337378117 /nfs/dbraw/zinc/37/81/17/337378117.db2.gz GYORRNFJINSNMB-UIKWRGBMSA-N 0 0 319.176 2.084 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC000580454857 337678911 /nfs/dbraw/zinc/67/89/11/337678911.db2.gz GQMGEKMJIORCSB-AWEZNQCLSA-N 0 0 319.453 2.158 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[C@H](C)[C@H]1C ZINC000516150952 338005564 /nfs/dbraw/zinc/00/55/64/338005564.db2.gz ROFXDMDSDLIION-NWDGAFQWSA-N 0 0 315.425 2.193 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)NCC(=O)NCC1CC1 ZINC000183790565 340489277 /nfs/dbraw/zinc/48/92/77/340489277.db2.gz AQDQIFDGEPPMFC-UHFFFAOYSA-N 0 0 307.438 2.291 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cn(C)nc1-c1ccc(C)o1 ZINC000529501699 340758039 /nfs/dbraw/zinc/75/80/39/340758039.db2.gz NGNGFVIVHFHIGZ-JSGCOSHPSA-N 0 0 315.373 2.309 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1c[nH]c(=O)cc1C ZINC000126172320 340823566 /nfs/dbraw/zinc/82/35/66/340823566.db2.gz NYZNDAAARAKOCZ-UHFFFAOYSA-N 0 0 307.353 2.383 10 30 DEEERN COc1cc(CNC(=O)N2CCC(C)(C#N)CC2)ccc1O ZINC000543742738 341056380 /nfs/dbraw/zinc/05/63/80/341056380.db2.gz HGNOCDTZNULQDA-UHFFFAOYSA-N 0 0 303.362 2.236 10 30 DEEERN C=CCn1cc(CNC(=O)N[C@@H]2c3ccccc3C[C@@H]2C)nn1 ZINC000564322744 341217952 /nfs/dbraw/zinc/21/79/52/341217952.db2.gz HRTGIWFOJWSAHM-LRDDRELGSA-N 0 0 311.389 2.197 10 30 DEEERN C=CCCCCCNC(=O)NCc1cc(=O)n2ccccc2n1 ZINC000565178410 341244853 /nfs/dbraw/zinc/24/48/53/341244853.db2.gz SPILSEXTNLJLAG-UHFFFAOYSA-N 0 0 314.389 2.240 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CC=C(c2ccnn2C)CC1 ZINC000552794088 341404522 /nfs/dbraw/zinc/40/45/22/341404522.db2.gz OABPMWJVBHVQSC-UHFFFAOYSA-N 0 0 324.384 2.309 10 30 DEEERN CC(C)(C#N)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000554539117 341457035 /nfs/dbraw/zinc/45/70/35/341457035.db2.gz IQTQAVWWTMXOCG-UHFFFAOYSA-N 0 0 317.292 2.158 10 30 DEEERN C=CCn1cc(CNC(=O)N(C)Cc2ccc(Cl)cc2)nn1 ZINC000564885237 341512287 /nfs/dbraw/zinc/51/22/87/341512287.db2.gz IHYNNTUNQWIDRI-UHFFFAOYSA-N 0 0 319.796 2.459 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000565403326 341526460 /nfs/dbraw/zinc/52/64/60/341526460.db2.gz WVURKJJSKNWGSD-MAZHCROVSA-N 0 0 312.373 2.036 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NC[C@H]1CC12CCSCC2 ZINC000576956704 341872043 /nfs/dbraw/zinc/87/20/43/341872043.db2.gz BJCNJUVWTLTRNC-CQSZACIVSA-N 0 0 324.490 2.499 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1ccc(OC)cc1 ZINC000577746778 341933999 /nfs/dbraw/zinc/93/39/99/341933999.db2.gz GTJRKEMDGUNNRG-UHFFFAOYSA-N 0 0 304.390 2.174 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC000577771346 341935997 /nfs/dbraw/zinc/93/59/97/341935997.db2.gz ILMQNLNQZGRXGO-HUUCEWRRSA-N 0 0 318.421 2.345 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCCNC(=O)c1cccs1 ZINC000178594290 341958936 /nfs/dbraw/zinc/95/89/36/341958936.db2.gz GQBLSVACUBXPEJ-UHFFFAOYSA-N 0 0 313.382 2.088 10 30 DEEERN Cc1cc(C)n(C[C@@H]2CN(CC#Cc3ccccc3)CCO2)n1 ZINC000192008262 534115639 /nfs/dbraw/zinc/11/56/39/534115639.db2.gz DMMMGUGJMKVFTI-IBGZPJMESA-N 0 0 309.413 2.252 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369219566 534256905 /nfs/dbraw/zinc/25/69/05/534256905.db2.gz OPABYJYECWKXFI-HNNXBMFYSA-N 0 0 309.373 2.071 10 30 DEEERN C=CC[C@H](CC)NC(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000454910903 534370535 /nfs/dbraw/zinc/37/05/35/534370535.db2.gz LQZLNLGLFQXFMR-STQMWFEESA-N 0 0 322.430 2.211 10 30 DEEERN C=CCC(C)(C)CNC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000458810164 534547434 /nfs/dbraw/zinc/54/74/34/534547434.db2.gz MCPZYZXCGVSQDL-CABCVRRESA-N 0 0 324.465 2.456 10 30 DEEERN N#CC1CCC(CNC(=O)N2CCC(CCC(N)=O)CC2)CC1 ZINC000440995165 534578962 /nfs/dbraw/zinc/57/89/62/534578962.db2.gz CTPMKGOUVHFONW-UHFFFAOYSA-N 0 0 320.437 2.003 10 30 DEEERN C=CCCCCNC(=O)NCc1nn(C)cc1Br ZINC000454803919 534684091 /nfs/dbraw/zinc/68/40/91/534684091.db2.gz FJPXTIIVXMKNFV-UHFFFAOYSA-N 0 0 315.215 2.338 10 30 DEEERN O=C(NCC1(C(F)(F)F)CC1)N1CCc2cncnc2C1 ZINC000329220426 534750601 /nfs/dbraw/zinc/75/06/01/534750601.db2.gz BITOZXNTXNVPRF-UHFFFAOYSA-N 0 0 300.284 2.091 10 30 DEEERN C[C@H]1CCOCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000367738597 524316991 /nfs/dbraw/zinc/31/69/91/524316991.db2.gz BAUXURAIZQRUDL-NSHDSACASA-N 0 0 307.781 2.261 10 30 DEEERN C=CCC[C@H](CO)NC(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000454906372 534803278 /nfs/dbraw/zinc/80/32/78/534803278.db2.gz SCHLIEYJFMUSPM-CQSZACIVSA-N 0 0 305.378 2.118 10 30 DEEERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1cc(C#N)cn1C)CC2 ZINC000371062445 534881794 /nfs/dbraw/zinc/88/17/94/534881794.db2.gz KMBCAIBZZXFOIO-UHFFFAOYSA-N 0 0 321.380 2.340 10 30 DEEERN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCCCO3)C2)n1 ZINC000364793590 525992033 /nfs/dbraw/zinc/99/20/33/525992033.db2.gz UWRSTKBKTYFWHQ-OAHLLOKOSA-N 0 0 314.389 2.032 10 30 DEEERN C=CCN(CCCC(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000294853883 526273417 /nfs/dbraw/zinc/27/34/17/526273417.db2.gz CLAOCYXKYIWYRP-MRXNPFEDSA-N 0 0 321.442 2.325 10 30 DEEERN C=CCN(CCOC)C(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000359304310 526288258 /nfs/dbraw/zinc/28/82/58/526288258.db2.gz KRELHHWWRPJXIQ-UHFFFAOYSA-N 0 0 316.323 2.490 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCn1ccnc1 ZINC000338067030 526346616 /nfs/dbraw/zinc/34/66/16/526346616.db2.gz LGNBKKMYENEUIE-UHFFFAOYSA-N 0 0 314.345 2.396 10 30 DEEERN CC(C)(C)OC(=O)CSCC(=O)N(CC#N)C1CCCC1 ZINC000078122963 526371608 /nfs/dbraw/zinc/37/16/08/526371608.db2.gz QIHJQFLLLUEHJD-UHFFFAOYSA-N 0 0 312.435 2.356 10 30 DEEERN C=CCN1CC[C@@H](N(C)Cc2nc3cc(F)ccc3o2)C1=O ZINC000337228050 526470219 /nfs/dbraw/zinc/47/02/19/526470219.db2.gz QRNCJTRCFAUOCJ-CYBMUJFWSA-N 0 0 303.337 2.186 10 30 DEEERN C=CCN1CC[C@@H](N(C)Cc2cncn2Cc2ccccc2)C1=O ZINC000337227295 526471517 /nfs/dbraw/zinc/47/15/17/526471517.db2.gz PZYACVRAXHSEBJ-GOSISDBHSA-N 0 0 324.428 2.150 10 30 DEEERN C=CCNC(=O)Cc1noc(C(F)(F)Cc2ccccc2)n1 ZINC000346960207 526580484 /nfs/dbraw/zinc/58/04/84/526580484.db2.gz GQGGPYGVIQCVBL-UHFFFAOYSA-N 0 0 307.300 2.249 10 30 DEEERN C#CCCCCC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000374233665 526688536 /nfs/dbraw/zinc/68/85/36/526688536.db2.gz YWBGVPQADPPWJZ-NVXWUHKLSA-N 0 0 312.413 2.486 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCc2cc(S(=O)(=O)NC)ccc21 ZINC000185782577 526695954 /nfs/dbraw/zinc/69/59/54/526695954.db2.gz XYDPAMYKVQBYKQ-GFCCVEGCSA-N 0 0 322.430 2.086 10 30 DEEERN C=CCOCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347275799 526718825 /nfs/dbraw/zinc/71/88/25/526718825.db2.gz LPTRZANRMSPJNA-UHFFFAOYSA-N 0 0 315.123 2.498 10 30 DEEERN C#CCCOc1ccc(C(=O)NC(C)(C)C(=O)OCC)cc1 ZINC000294433966 526740449 /nfs/dbraw/zinc/74/04/49/526740449.db2.gz BYRWUUSHUHUIRA-UHFFFAOYSA-N 0 0 303.358 2.160 10 30 DEEERN N#Cc1ccccc1N1CCC[C@H](Nc2ccc(C(N)=O)cn2)C1 ZINC000364876345 526741541 /nfs/dbraw/zinc/74/15/41/526741541.db2.gz HYWYYOUFDPAHCS-HNNXBMFYSA-N 0 0 321.384 2.133 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCC(C(=O)N(CC)CC)CC1)OCC ZINC000339393582 526742066 /nfs/dbraw/zinc/74/20/66/526742066.db2.gz VBADIZKGBSMJAI-MRXNPFEDSA-N 0 0 324.465 2.465 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCC[C@H]1C(=O)N(CC)CC)OCC ZINC000339364524 526744444 /nfs/dbraw/zinc/74/44/44/526744444.db2.gz VHHSSKZIRLBNON-LSDHHAIUSA-N 0 0 310.438 2.217 10 30 DEEERN C#CCCS(=O)(=O)N1CCC(OC2CCC(C)CC2)CC1 ZINC000377363749 526746845 /nfs/dbraw/zinc/74/68/45/526746845.db2.gz NQONQLFUHTXSBO-UHFFFAOYSA-N 0 0 313.463 2.399 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000362831898 526759423 /nfs/dbraw/zinc/75/94/23/526759423.db2.gz UOVPREPDUNVPJU-AVGNSLFASA-N 0 0 320.355 2.063 10 30 DEEERN C=CCOCCNC(=O)N1CCc2ccc(OC)cc2CC1 ZINC000373680129 526777296 /nfs/dbraw/zinc/77/72/96/526777296.db2.gz KNKXTOKEOJHFEL-UHFFFAOYSA-N 0 0 304.390 2.008 10 30 DEEERN C#CCN(C(=O)[C@H]1CN(C)C(=O)c2ccccc21)C1CCCC1 ZINC000373372739 526778785 /nfs/dbraw/zinc/77/87/85/526778785.db2.gz JORGYXSJTFIAKA-KRWDZBQOSA-N 0 0 310.397 2.260 10 30 DEEERN C=C(C)[C@H](CC(=O)NCCc1cnc(C2CC2)nc1)OCC ZINC000339464936 526813621 /nfs/dbraw/zinc/81/36/21/526813621.db2.gz FROCAMYNYFDEPB-HNNXBMFYSA-N 0 0 303.406 2.384 10 30 DEEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)C1(C#N)CCC1)C2 ZINC000408188544 526813586 /nfs/dbraw/zinc/81/35/86/526813586.db2.gz GQQOEJCNIUADDL-GFCCVEGCSA-N 0 0 300.406 2.305 10 30 DEEERN C=CCOc1ccc(/C=C/c2cc(=O)n3[nH]cnc3n2)cc1OC ZINC000339956168 526832805 /nfs/dbraw/zinc/83/28/05/526832805.db2.gz MHSORIAATLFPQU-GQCTYLIASA-N 0 0 324.340 2.161 10 30 DEEERN CC(=O)N[C@@H](CC(=O)N[C@H](C#N)C1CC1)c1ccc(Cl)cc1 ZINC000108833606 526836868 /nfs/dbraw/zinc/83/68/68/526836868.db2.gz SMNJTXXSDPAQLU-LSDHHAIUSA-N 0 0 319.792 2.326 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CCN(C3CC3)CC2)cc1 ZINC000294783194 526856221 /nfs/dbraw/zinc/85/62/21/526856221.db2.gz RZMSMKIQSKYOBF-UHFFFAOYSA-N 0 0 300.402 2.101 10 30 DEEERN C=C(CNC(=O)NCCCN1CCCC1=O)c1ccccc1 ZINC000287366026 526869898 /nfs/dbraw/zinc/86/98/98/526869898.db2.gz SKBHXUVXBWZTED-UHFFFAOYSA-N 0 0 301.390 2.012 10 30 DEEERN C=CCOc1cccnc1C(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000341435961 526962848 /nfs/dbraw/zinc/96/28/48/526962848.db2.gz UZYAPDUURTTZLU-UHFFFAOYSA-N 0 0 313.357 2.294 10 30 DEEERN C=CCSCCNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000192987942 526982408 /nfs/dbraw/zinc/98/24/08/526982408.db2.gz HZVVTVQJLCQAAB-UHFFFAOYSA-N 0 0 303.387 2.142 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)CCC1 ZINC000189579040 527043770 /nfs/dbraw/zinc/04/37/70/527043770.db2.gz ARUMWRJBKZTASY-GJZGRUSLSA-N 0 0 317.433 2.439 10 30 DEEERN C=CCC1(C(=O)NC[C@@H](CO)c2ccc(F)cc2)CCOCC1 ZINC000424884441 527053653 /nfs/dbraw/zinc/05/36/53/527053653.db2.gz QHKOVCJEDYMZSP-HNNXBMFYSA-N 0 0 321.392 2.391 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341929369 527066583 /nfs/dbraw/zinc/06/65/83/527066583.db2.gz ALHFDBMRACFAAA-VXGBXAGGSA-N 0 0 307.350 2.140 10 30 DEEERN C#CCONC(=O)CCc1cccc(F)c1Br ZINC000295914406 527069408 /nfs/dbraw/zinc/06/94/08/527069408.db2.gz DYFKPXAEWPFNCZ-UHFFFAOYSA-N 0 0 300.127 2.202 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccc(NC(=O)C(C)C)cc1 ZINC000183119133 527091794 /nfs/dbraw/zinc/09/17/94/527091794.db2.gz TVPKFPPWZYGYIJ-HNNXBMFYSA-N 0 0 319.405 2.017 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(C)n(Cc2ccncc2)c1C ZINC000337038051 527097866 /nfs/dbraw/zinc/09/78/66/527097866.db2.gz KKQIAXXSKHLLGL-INIZCTEOSA-N 0 0 313.401 2.215 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000188104539 527098795 /nfs/dbraw/zinc/09/87/95/527098795.db2.gz MXLGZUTVOXWOPA-QMMMGPOBSA-N 0 0 311.794 2.458 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(C(=O)N(CC)CCC)cc1 ZINC000337044087 527099539 /nfs/dbraw/zinc/09/95/39/527099539.db2.gz DLKMKEHEDQGWAT-INIZCTEOSA-N 0 0 318.417 2.226 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(OCc2ccncc2)cc1 ZINC000337070480 527099920 /nfs/dbraw/zinc/09/99/20/527099920.db2.gz MURYWEGUXMJYDX-INIZCTEOSA-N 0 0 312.369 2.327 10 30 DEEERN C#CCOc1ccccc1CN1CCN(c2cc(C)[nH]n2)CC1 ZINC000189016898 527126114 /nfs/dbraw/zinc/12/61/14/527126114.db2.gz XYGPWUJVYSZPMO-UHFFFAOYSA-N 0 0 310.401 2.052 10 30 DEEERN C#CCOc1ccccc1NC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000188084017 527134276 /nfs/dbraw/zinc/13/42/76/527134276.db2.gz FMBOVSVORZXVII-FUHWJXTLSA-N 0 0 322.364 2.478 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@]1(O)CCC[C@@H]1C ZINC000298123149 527172239 /nfs/dbraw/zinc/17/22/39/527172239.db2.gz YGCTUDIYKRSMGA-KVSKMBFKSA-N 0 0 314.429 2.471 10 30 DEEERN CC(=O)c1cc(C#N)ccc1NC(=O)c1nn2c(c1C)OCCC2 ZINC000411060429 527184948 /nfs/dbraw/zinc/18/49/48/527184948.db2.gz XLWFEPYCFLMCPN-UHFFFAOYSA-N 0 0 324.340 2.301 10 30 DEEERN C=CC[C@H](CO)CNS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000341189740 527187703 /nfs/dbraw/zinc/18/77/03/527187703.db2.gz MNVOVOSCWQIEQY-JTQLQIEISA-N 0 0 321.801 2.250 10 30 DEEERN C=CC[C@H](CO)CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000340878328 527189902 /nfs/dbraw/zinc/18/99/02/527189902.db2.gz JKWDPACBGYAFBM-NSHDSACASA-N 0 0 308.334 2.286 10 30 DEEERN C=CCCCN(C)c1nnc(C(=O)NC(C)C)n1CC(=C)C ZINC000338849641 527196014 /nfs/dbraw/zinc/19/60/14/527196014.db2.gz XAPGMTLMUIICGE-UHFFFAOYSA-N 0 0 305.426 2.395 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000183390520 527198067 /nfs/dbraw/zinc/19/80/67/527198067.db2.gz SVZIZCSAZOBZQL-CQSZACIVSA-N 0 0 323.412 2.408 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(CC)nc2onc(CCC)c21 ZINC000337380284 527206951 /nfs/dbraw/zinc/20/69/51/527206951.db2.gz BWTSLYIAFKUDBZ-GFCCVEGCSA-N 0 0 317.389 2.405 10 30 DEEERN C=CCCCNC(=O)NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000448392912 527219564 /nfs/dbraw/zinc/21/95/64/527219564.db2.gz XGYMCZSCTIKPCM-ZDUSSCGKSA-N 0 0 312.360 2.381 10 30 DEEERN C#C[C@@H](C)NC(=O)[C@@]1(CC=C)CCCN1C(=O)OC(C)(C)C ZINC000190383424 527224935 /nfs/dbraw/zinc/22/49/35/527224935.db2.gz DGUBHWRZEBBZOV-CXAGYDPISA-N 0 0 306.406 2.470 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N(CCO)Cc1ccnn1CC ZINC000354262776 527260712 /nfs/dbraw/zinc/26/07/12/527260712.db2.gz VLVMUXLITRQOEE-CQSZACIVSA-N 0 0 308.426 2.152 10 30 DEEERN C=CCCN(C)C(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000342013373 527314120 /nfs/dbraw/zinc/31/41/20/527314120.db2.gz DELDLUCHFCYFRM-ZDUSSCGKSA-N 0 0 324.446 2.075 10 30 DEEERN C=CCn1c(COCC)nnc1N(C)CCc1ncc(C)s1 ZINC000337893021 527321352 /nfs/dbraw/zinc/32/13/52/527321352.db2.gz BGWPGOGJALYYAT-UHFFFAOYSA-N 0 0 321.450 2.444 10 30 DEEERN C=CCn1c(N)nnc1SCCOCCOc1ccccc1 ZINC000121021421 527329296 /nfs/dbraw/zinc/32/92/96/527329296.db2.gz VXUGFLYXWZVIAL-UHFFFAOYSA-N 0 0 320.418 2.234 10 30 DEEERN C#C[C@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000372578081 527340329 /nfs/dbraw/zinc/34/03/29/527340329.db2.gz QBGBQJOCFVZZLK-MELADBBJSA-N 0 0 321.421 2.192 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@H](CC)C1 ZINC000282420561 527352465 /nfs/dbraw/zinc/35/24/65/527352465.db2.gz XXVYCCGLWSKZKH-KBPBESRZSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCn1c([C@H]2CCCS2)nnc1N(C)CCn1cccn1 ZINC000424133204 527359879 /nfs/dbraw/zinc/35/98/79/527359879.db2.gz YXDLCTPRRZPPGM-CYBMUJFWSA-N 0 0 318.450 2.365 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N(CCOC)Cc1scnc1C ZINC000347662763 527370907 /nfs/dbraw/zinc/37/09/07/527370907.db2.gz FYENGIZQASHPRH-ZDUSSCGKSA-N 0 0 312.435 2.408 10 30 DEEERN CC(=O)c1cccc(OC[C@H](O)CN(C[C@H](C)C#N)C2CC2)c1 ZINC000338364452 527378895 /nfs/dbraw/zinc/37/88/95/527378895.db2.gz ZEKHJNPVTAFFBL-CXAGYDPISA-N 0 0 316.401 2.253 10 30 DEEERN C#C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1)C(C)C ZINC000296897862 527398011 /nfs/dbraw/zinc/39/80/11/527398011.db2.gz NDIRFUHSNSXLTC-OWCLPIDISA-N 0 0 301.390 2.259 10 30 DEEERN C=C[C@@H](CC(=O)N(C)C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000340219487 527418450 /nfs/dbraw/zinc/41/84/50/527418450.db2.gz VZMVRVWBLWAPAS-GJZGRUSLSA-N 0 0 321.442 2.239 10 30 DEEERN C#Cc1ccc(CNC(=O)C[C@H](C)NC(=O)C2CCCC2)cc1 ZINC000295363958 527433172 /nfs/dbraw/zinc/43/31/72/527433172.db2.gz FYJUBRDNURKYIX-AWEZNQCLSA-N 0 0 312.413 2.369 10 30 DEEERN C=CCC[C@H](C(=O)N1CCN(CCO)[C@@H](C)C1)c1ccccc1 ZINC000188706160 527462431 /nfs/dbraw/zinc/46/24/31/527462431.db2.gz GDWKLBCTIYJVPT-WMZOPIPTSA-N 0 0 316.445 2.261 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(OCC)c(OC)c1 ZINC000424920034 527497559 /nfs/dbraw/zinc/49/75/59/527497559.db2.gz YJYVPMFNRVDEPC-KBPBESRZSA-N 0 0 305.374 2.415 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CCC[C@H](NC(=O)CCC)C1 ZINC000188465254 527527967 /nfs/dbraw/zinc/52/79/67/527527967.db2.gz MYJYFZQFXSXCJJ-YOEHRIQHSA-N 0 0 310.438 2.123 10 30 DEEERN C=C[C@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000338838732 527554140 /nfs/dbraw/zinc/55/41/40/527554140.db2.gz YPIBKEIUOIKEFB-ZETCQYMHSA-N 0 0 301.268 2.038 10 30 DEEERN C=CCN(C)C(=O)C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000359554762 527557115 /nfs/dbraw/zinc/55/71/15/527557115.db2.gz NDNBDRMYEIDHNS-UHFFFAOYSA-N 0 0 309.369 2.009 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC1(CCO)CC1 ZINC000187969251 527745803 /nfs/dbraw/zinc/74/58/03/527745803.db2.gz TVBZEFKHLCEBBB-INIZCTEOSA-N 0 0 316.401 2.240 10 30 DEEERN CCCC(=O)NC[C@@H]1CCCN(c2ccc(C)c(C#N)n2)C1 ZINC000302666076 527931861 /nfs/dbraw/zinc/93/18/61/527931861.db2.gz QDHIAYFKBQSCIM-AWEZNQCLSA-N 0 0 300.406 2.394 10 30 DEEERN CC(C)NC(=O)[C@H](C)NC(=O)c1coc(Br)c1 ZINC000330738520 529147183 /nfs/dbraw/zinc/14/71/83/529147183.db2.gz NRPKGMXAOSYLLI-ZETCQYMHSA-N 0 0 303.156 2.260 10 30 DEEERN CCCn1cc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cn1 ZINC000130348258 535596207 /nfs/dbraw/zinc/59/62/07/535596207.db2.gz HCQIOJRPMZMAHO-UHFFFAOYSA-N 0 0 310.357 2.068 10 30 DEEERN CC[C@H](NC(=O)[C@H](Oc1ccccc1C#N)C(C)C)[C@@H](C)O ZINC000456221464 535847460 /nfs/dbraw/zinc/84/74/60/535847460.db2.gz NZILJCQKBBQOMD-IVMMDQJWSA-N 0 0 304.390 2.237 10 30 DEEERN C#CCSCCNC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000176839250 625369266 /nfs/dbraw/zinc/36/92/66/625369266.db2.gz WCDYEMMAZYIKDF-UHFFFAOYSA-N 0 0 321.352 2.247 10 30 DEEERN CC[C@H](CC#N)OC(=O)CSc1nnnn1C1CCCC1 ZINC000187991525 625440002 /nfs/dbraw/zinc/44/00/02/625440002.db2.gz XPLXNLVLOTWTBR-LLVKDONJSA-N 0 0 309.395 2.116 10 30 DEEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)/C=C\c1ccccc1C#N ZINC000255636657 625575085 /nfs/dbraw/zinc/57/50/85/625575085.db2.gz DOUYXVQSDCUQRA-CDNLZTBQSA-N 0 0 307.357 2.123 10 30 DEEERN COc1ccc([C@H](CC(=O)O[C@@H](C#N)C2CC2)NC(C)=O)cc1 ZINC000177007974 625597748 /nfs/dbraw/zinc/59/77/48/625597748.db2.gz VCLMPZFFCOGWDA-HOTGVXAUSA-N 0 0 316.357 2.108 10 30 DEEERN C[C@H](C#N)NS(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000160683811 624031033 /nfs/dbraw/zinc/03/10/33/624031033.db2.gz YBPHHVFYQYTZLR-VUHVRTRXSA-N 0 0 315.192 2.251 10 30 DEEERN C[C@@H](C#N)NS(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000160683656 624031287 /nfs/dbraw/zinc/03/12/87/624031287.db2.gz YBPHHVFYQYTZLR-CYNONHLPSA-N 0 0 315.192 2.251 10 30 DEEERN CC(C)CCC(N)=NOCC(=O)N1CCC(c2ccccc2)=N1 ZINC000066374371 625101606 /nfs/dbraw/zinc/10/16/06/625101606.db2.gz PHPUGNYFIFAPOT-UHFFFAOYSA-N 0 0 316.405 2.348 10 30 DEEERN COCCc1cc(NC(=O)/C=C\c2ccccc2C#N)n(C)n1 ZINC000255565155 625101805 /nfs/dbraw/zinc/10/18/05/625101805.db2.gz NEWPECDZCJJFCN-FPLPWBNLSA-N 0 0 310.357 2.133 10 30 DEEERN CN1CC[C@@H](C(=O)OCC#Cc2ccc(Cl)cc2)CC1=O ZINC000177897526 625104761 /nfs/dbraw/zinc/10/47/61/625104761.db2.gz YLWRCIGZZVBHGJ-CYBMUJFWSA-N 0 0 305.761 2.103 10 30 DEEERN C=CCC[C@@H](C)OC(=O)[C@@H]1CCCN1S(=O)(=O)CCC ZINC000246314186 625198150 /nfs/dbraw/zinc/19/81/50/625198150.db2.gz DWKLDPUQWVLONB-OLZOCXBDSA-N 0 0 303.424 2.089 10 30 DEEERN CC(C)[C@@H](C#N)OC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000176797752 625236751 /nfs/dbraw/zinc/23/67/51/625236751.db2.gz IQMIMAFUYZTULY-UONOGXRCSA-N 0 0 307.394 2.006 10 30 DEEERN CNC(=O)c1cncc(/C=C\C(=O)OCC#Cc2ccccc2)c1 ZINC000255866044 625897704 /nfs/dbraw/zinc/89/77/04/625897704.db2.gz DQBNHYSIMNCUSQ-KTKRTIGZSA-N 0 0 320.348 2.049 10 30 DEEERN C#C[C@@H](C)NC(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000185976487 632966174 /nfs/dbraw/zinc/96/61/74/632966174.db2.gz JBGIVVHBDFLJDJ-CQSZACIVSA-N 0 0 316.401 2.203 10 30 DEEERN C#C[C@H](C)NC(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000186063189 633028486 /nfs/dbraw/zinc/02/84/86/633028486.db2.gz KEJKYFJGNHQWRG-LBPRGKRZSA-N 0 0 309.410 2.049 10 30 DEEERN C=C(COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)OCC ZINC000734029275 633312618 /nfs/dbraw/zinc/31/26/18/633312618.db2.gz KPVPFCHJBXFSBK-UHFFFAOYSA-N 0 0 318.285 2.352 10 30 DEEERN C=C(COC(=O)c1ccc2c(c1)OCCCO2)C(=O)OCC ZINC000734025112 633318135 /nfs/dbraw/zinc/31/81/35/633318135.db2.gz BKCNRVJCHNTTQL-UHFFFAOYSA-N 0 0 306.314 2.124 10 30 DEEERN CCC[C@@H]1NC(=O)N(Cc2cc(Cl)ccc2OCC#N)C1=O ZINC000735302830 633495806 /nfs/dbraw/zinc/49/58/06/633495806.db2.gz HUFFPXZQNXYOOP-LBPRGKRZSA-N 0 0 321.764 2.463 10 30 DEEERN CNC(=O)C1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735305751 633500519 /nfs/dbraw/zinc/50/05/19/633500519.db2.gz DKELGWLPIJCXJJ-UHFFFAOYSA-N 0 0 321.808 2.200 10 30 DEEERN O=[N+]([O-])c1ccc([O-])c(C=Nn2c(CO)nc3ccccc32)c1 ZINC000252642930 635632438 /nfs/dbraw/zinc/63/24/38/635632438.db2.gz ZRDLNOGSEKBYIA-UHFFFAOYSA-N 0 0 312.285 2.025 10 30 DEEERN C[C@@H](C#N)CNC(=O)c1cnccc1NC(=O)OC(C)(C)C ZINC000186807143 636567809 /nfs/dbraw/zinc/56/78/09/636567809.db2.gz KCQZQUKEBVMNLJ-JTQLQIEISA-N 0 0 304.350 2.318 10 30 DEEERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329705270 636749727 /nfs/dbraw/zinc/74/97/27/636749727.db2.gz KDAQJLHPHVTVKR-NTZNESFSSA-N 0 0 324.425 2.485 10 30 DEEERN C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)c1ccccc1 ZINC000742174638 637328403 /nfs/dbraw/zinc/32/84/03/637328403.db2.gz ABHDNJQMMHSEPS-LBPRGKRZSA-N 0 0 315.398 2.421 10 30 DEEERN C=CCNS(=O)(=O)c1ccc(C(=O)OCc2ccoc2)cc1 ZINC000194203176 637559431 /nfs/dbraw/zinc/55/94/31/637559431.db2.gz SABCJPCXSWOXAR-UHFFFAOYSA-N 0 0 321.354 2.101 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)NCC[S@](=O)CC ZINC000741424345 637981130 /nfs/dbraw/zinc/98/11/30/637981130.db2.gz ZDVCRSPZIUSPBM-OAQYLSRUSA-N 0 0 312.410 2.292 10 30 DEEERN Cc1cc(CNc2ccc(S(N)(=O)=O)cc2C#N)ccc1F ZINC000742175226 638040385 /nfs/dbraw/zinc/04/03/85/638040385.db2.gz WMAPQQFLNZRFJA-UHFFFAOYSA-N 0 0 319.361 2.265 10 30 DEEERN C[C@@H]1CCC[C@H](CNc2ccc(S(N)(=O)=O)cc2C#N)C1 ZINC000742395766 638066494 /nfs/dbraw/zinc/06/64/94/638066494.db2.gz JYTHKWFRSVOATE-NEPJUHHUSA-N 0 0 307.419 2.444 10 30 DEEERN C[C@H]1CCCC[C@H]1CNc1ccc(S(N)(=O)=O)cc1C#N ZINC000742397269 638068480 /nfs/dbraw/zinc/06/84/80/638068480.db2.gz OBHNEHDSLVLNJI-RYUDHWBXSA-N 0 0 307.419 2.444 10 30 DEEERN N#Cc1cc(S(N)(=O)=O)ccc1N1CCC2(CCCC2)CC1 ZINC000742408711 638069057 /nfs/dbraw/zinc/06/90/57/638069057.db2.gz RMZTZISTQIUPPK-UHFFFAOYSA-N 0 0 319.430 2.366 10 30 DEEERN COc1ccc(CNC(=S)NCC(F)(F)F)cc1C#N ZINC000746533388 638353648 /nfs/dbraw/zinc/35/36/48/638353648.db2.gz MQSGGIAGSIZDQE-UHFFFAOYSA-N 0 0 303.309 2.093 10 30 DEEERN COc1ccc(CNC(=O)NCc2nc(C)cs2)cc1C#N ZINC000746703351 638370507 /nfs/dbraw/zinc/37/05/07/638370507.db2.gz FDZRYKQNILBLBJ-UHFFFAOYSA-N 0 0 316.386 2.331 10 30 DEEERN COc1ccc(CNC(=O)NC[C@H](OC)C(C)(C)C)cc1C#N ZINC000746733894 638373510 /nfs/dbraw/zinc/37/35/10/638373510.db2.gz LAMOJFYQZXXXQB-HNNXBMFYSA-N 0 0 319.405 2.427 10 30 DEEERN COCCC1(CNC(=O)NCc2ccc(OC)c(C#N)c2)CC1 ZINC000746755004 638375365 /nfs/dbraw/zinc/37/53/65/638375365.db2.gz OPFRLVNJZNCPHX-UHFFFAOYSA-N 0 0 317.389 2.183 10 30 DEEERN COc1ccc(CNC(=O)N2CCSC[C@H]2C)cc1C#N ZINC000746772266 638376455 /nfs/dbraw/zinc/37/64/55/638376455.db2.gz JTIXAJSWSJMLLS-LLVKDONJSA-N 0 0 305.403 2.214 10 30 DEEERN COc1ccc(CNC(=O)c2cc(-c3ccco3)n[nH]2)cc1C#N ZINC000746858614 638381341 /nfs/dbraw/zinc/38/13/41/638381341.db2.gz JSJJBARTFAOIIR-UHFFFAOYSA-N 0 0 322.324 2.480 10 30 DEEERN CC(=O)N1CSC[C@@H]1C(=O)OCC#Cc1ccccc1Cl ZINC000747050496 638402393 /nfs/dbraw/zinc/40/23/93/638402393.db2.gz LVANGJQAOXHERO-CQSZACIVSA-N 0 0 323.801 2.156 10 30 DEEERN CC[S@@](=O)CCNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000747974870 638495105 /nfs/dbraw/zinc/49/51/05/638495105.db2.gz UFMSUSQDHFLVRR-LHSJRXKWSA-N 0 0 307.419 2.099 10 30 DEEERN C[C@@](O)(CNC(=O)Cc1cccc(C#N)c1)c1cccs1 ZINC000749412726 638646539 /nfs/dbraw/zinc/64/65/39/638646539.db2.gz FWFZHJXEGNDVIE-MRXNPFEDSA-N 0 0 300.383 2.186 10 30 DEEERN COc1ccc(CNC(=O)[C@H]2OCCc3ccccc32)cc1C#N ZINC000749861459 638688242 /nfs/dbraw/zinc/68/82/42/638688242.db2.gz CSRGSTZRNHUUQR-SFHVURJKSA-N 0 0 322.364 2.497 10 30 DEEERN CCOc1nnc(COC(=O)Cc2cccc(C#N)c2)s1 ZINC000750434122 638745074 /nfs/dbraw/zinc/74/50/74/638745074.db2.gz MUUJWFWYIATHTR-UHFFFAOYSA-N 0 0 303.343 2.094 10 30 DEEERN COC(=O)[C@@H](OC(=O)c1cccc(O)c1)c1cccc(C#N)c1 ZINC000751627037 639100474 /nfs/dbraw/zinc/10/04/74/639100474.db2.gz FKVXBZXLQMVNPR-HNNXBMFYSA-N 0 0 311.293 2.335 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)c1ccc(C#N)cc1C ZINC000163270098 639506622 /nfs/dbraw/zinc/50/66/22/639506622.db2.gz HPYKNWMMYHRINX-UHFFFAOYSA-N 0 0 317.348 2.482 10 30 DEEERN N#Cc1cccc(CC(=O)NCC(F)(F)Br)c1 ZINC000805236934 640384913 /nfs/dbraw/zinc/38/49/13/640384913.db2.gz MJZILYOSUNWJEJ-UHFFFAOYSA-N 0 0 303.106 2.205 10 30 DEEERN N#Cc1ccc(CNC(=O)c2cc3c([nH]c2=O)CCC3)c(F)c1 ZINC000729832954 640844932 /nfs/dbraw/zinc/84/49/32/640844932.db2.gz VSFFQHRYXCSKJK-UHFFFAOYSA-N 0 0 311.316 2.217 10 30 DEEERN COc1ccc(C#N)cc1NC(=O)c1ccnc2[nH]c(C)nc21 ZINC000435677796 642505731 /nfs/dbraw/zinc/50/57/31/642505731.db2.gz JPLVQAIXNTZWKT-UHFFFAOYSA-N 0 0 307.313 2.399 10 30 DEEERN C#CCOc1ccccc1OC(=O)CO[C@@H](C)c1nccn1C ZINC000805877025 643649850 /nfs/dbraw/zinc/64/98/50/643649850.db2.gz BKKDVQYQGTZEGU-ZDUSSCGKSA-N 0 0 314.341 2.115 10 30 DEEERN C#CC[C@@H](OC(=O)c1cccc(CN2CCOCC2)c1)C1CC1 ZINC000805892128 643738819 /nfs/dbraw/zinc/73/88/19/643738819.db2.gz ANKYSLFSKXFXAF-GOSISDBHSA-N 0 0 313.397 2.478 10 30 DEEERN C=CCOc1ccc(C(=O)O[C@H]2CC(=O)N(C)[C@H]2C)cc1OC ZINC000806063753 644467134 /nfs/dbraw/zinc/46/71/34/644467134.db2.gz FJHPTCACRWUCFD-FZMZJTMJSA-N 0 0 319.357 2.036 10 30 DEEERN C=C[C@@H](C(=O)OC)N1CCC(O)(c2cccc(C)c2C)CC1 ZINC000800344580 645259927 /nfs/dbraw/zinc/25/99/27/645259927.db2.gz CXYAUULNJORBPE-INIZCTEOSA-N 0 0 303.402 2.314 10 30 DEEERN N#CCSc1ccccc1C(=O)N1CCO[C@H](C(F)F)C1 ZINC000801115959 645344014 /nfs/dbraw/zinc/34/40/14/645344014.db2.gz YLOFLPMJGLNAOL-NSHDSACASA-N 0 0 312.341 2.408 10 30 DEEERN C=CCOc1ccc(C(=O)OCc2ncnn2CC(F)F)cc1 ZINC000801221869 645354613 /nfs/dbraw/zinc/35/46/13/645354613.db2.gz OPADZJUFTZTKTG-UHFFFAOYSA-N 0 0 323.299 2.465 10 30 DEEERN C#CCC1(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)CCCCC1 ZINC000801261203 645362505 /nfs/dbraw/zinc/36/25/05/645362505.db2.gz QSRPLRXWMUWBID-HNNXBMFYSA-N 0 0 303.402 2.167 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1oc(CO)cc1C ZINC000801425285 645395669 /nfs/dbraw/zinc/39/56/69/645395669.db2.gz MXGLCOAXJVIIPL-LBPRGKRZSA-N 0 0 309.362 2.050 10 30 DEEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCCO[C@@H](C)C#N ZINC000801855225 645451409 /nfs/dbraw/zinc/45/14/09/645451409.db2.gz CEBACWSZNVDVPM-MMRAYRKESA-N 0 0 304.302 2.470 10 30 DEEERN C#C[C@@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@H]1CCCO1 ZINC000803120917 645610130 /nfs/dbraw/zinc/61/01/30/645610130.db2.gz STUCGNOQJXAKGV-HZPDHXFCSA-N 0 0 312.344 2.026 10 30 DEEERN C#CCn1ccc(CN(CCOC)C(=O)c2csc(C)c2)n1 ZINC000803231494 645620408 /nfs/dbraw/zinc/62/04/08/645620408.db2.gz RDENWZRRNVKIHA-UHFFFAOYSA-N 0 0 317.414 2.175 10 30 DEEERN N#Cc1ccsc1C(=O)OCC(=O)COc1ccccc1 ZINC000803323577 645634858 /nfs/dbraw/zinc/63/48/58/645634858.db2.gz HBYMUIXGKJAAOM-UHFFFAOYSA-N 0 0 301.323 2.425 10 30 DEEERN CC[S@](=O)CC(=O)OCc1cc(Cl)ccc1OCC#N ZINC000803477293 645658883 /nfs/dbraw/zinc/65/88/83/645658883.db2.gz XQPIPGMAAJMUFO-FQEVSTJZSA-N 0 0 315.778 2.054 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)COCc1ncc(C)o1 ZINC000803521132 645667924 /nfs/dbraw/zinc/66/79/24/645667924.db2.gz YRBXYLDEUIFTIS-INIZCTEOSA-N 0 0 312.369 2.250 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000803698212 645681100 /nfs/dbraw/zinc/68/11/00/645681100.db2.gz IPFFPMQUFJPTBZ-ZDUSSCGKSA-N 0 0 313.353 2.228 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)NCc1ccccc1C ZINC000803699489 645681732 /nfs/dbraw/zinc/68/17/32/645681732.db2.gz FEDXMSKOCQPOJO-HNNXBMFYSA-N 0 0 311.381 2.206 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000803701583 645682384 /nfs/dbraw/zinc/68/23/84/645682384.db2.gz YKZGXXHFBNMYTQ-CQSZACIVSA-N 0 0 303.402 2.372 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC000804451970 645773000 /nfs/dbraw/zinc/77/30/00/645773000.db2.gz BIMJVBGYZRFTGT-ZDUSSCGKSA-N 0 0 320.352 2.028 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000804454764 645774060 /nfs/dbraw/zinc/77/40/60/645774060.db2.gz AABLEHRVHRYPJI-WMLDXEAASA-N 0 0 324.380 2.149 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCOC[C@H]1CCCO1 ZINC000804458778 645774147 /nfs/dbraw/zinc/77/41/47/645774147.db2.gz HHJMJDNSRBLEAG-QZTJIDSGSA-N 0 0 315.413 2.323 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000806614402 645852367 /nfs/dbraw/zinc/85/23/67/645852367.db2.gz UCLMVEMCNYQSRB-INIZCTEOSA-N 0 0 324.424 2.363 10 30 DEEERN C#Cc1cncc(C(=O)NC2CCC(c3nc(C)no3)CC2)c1 ZINC000807027522 645902250 /nfs/dbraw/zinc/90/22/50/645902250.db2.gz GGOPUAAUSPGDPA-UHFFFAOYSA-N 0 0 310.357 2.211 10 30 DEEERN C#Cc1cncc(C(=O)N[C@@H]2CCN(c3ccccc3OC)C2)c1 ZINC000807049227 645905613 /nfs/dbraw/zinc/90/56/13/645905613.db2.gz LSFXMYTWRAVZTA-MRXNPFEDSA-N 0 0 321.380 2.080 10 30 DEEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000807074635 645909059 /nfs/dbraw/zinc/90/90/59/645909059.db2.gz QUWHTJARMLPQCU-ZDUSSCGKSA-N 0 0 304.390 2.323 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1nc(Br)ccc1O ZINC000807117360 645913784 /nfs/dbraw/zinc/91/37/84/645913784.db2.gz WHFZMKWGSRRJOI-UHFFFAOYSA-N 0 0 307.147 2.151 10 30 DEEERN C#Cc1cncc(C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000807157644 645916776 /nfs/dbraw/zinc/91/67/76/645916776.db2.gz AUFNBASYPXTTAO-CYBMUJFWSA-N 0 0 317.352 2.135 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@](O)(CC)C1 ZINC000807465885 645953108 /nfs/dbraw/zinc/95/31/08/645953108.db2.gz NEGWABQTSOVSSB-SJLPKXTDSA-N 0 0 300.402 2.177 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@@H](O)C1CC1 ZINC000807464974 645953510 /nfs/dbraw/zinc/95/35/10/645953510.db2.gz CPBXAYFQYQKXNM-DLBZAZTESA-N 0 0 300.402 2.033 10 30 DEEERN C#Cc1cc(F)c(NC(=O)C(=O)NCCC2(F)CCC2)c(F)c1 ZINC000807490138 645957984 /nfs/dbraw/zinc/95/79/84/645957984.db2.gz OHUKLICGUKPSRV-UHFFFAOYSA-N 0 0 324.302 2.283 10 30 DEEERN C=C(Br)CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000164817423 646466601 /nfs/dbraw/zinc/46/66/01/646466601.db2.gz HUJGVWAHMMKXJZ-DGCLKSJQSA-N 0 0 317.227 2.232 10 30 DEEERN C=CCn1c(C)nn(CN2CC[C@@]3(O)CCCC[C@@H]3C2)c1=S ZINC000164945485 646479036 /nfs/dbraw/zinc/47/90/36/646479036.db2.gz YSLKNTGAEUGMOR-ZBFHGGJFSA-N 0 0 322.478 2.493 10 30 DEEERN C#CCOCCC(=O)O[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000165876698 646510687 /nfs/dbraw/zinc/51/06/87/646510687.db2.gz AWHGESWSXHFYJE-CYBMUJFWSA-N 0 0 304.342 2.320 10 30 DEEERN C#CCN1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 ZINC000174230086 646798163 /nfs/dbraw/zinc/79/81/63/646798163.db2.gz XWEUPJNKFMZZKS-UHFFFAOYSA-N 0 0 311.429 2.068 10 30 DEEERN C#C[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000174453103 646809937 /nfs/dbraw/zinc/80/99/37/646809937.db2.gz BLUUELSDAOZXRT-NWDGAFQWSA-N 0 0 303.383 2.326 10 30 DEEERN CC(=O)N[C@@H](CC(=O)OCC1(CC#N)CC1)c1ccccc1 ZINC000174748629 647310893 /nfs/dbraw/zinc/31/08/93/647310893.db2.gz HAHMJZWDYAMZOG-HNNXBMFYSA-N 0 0 300.358 2.491 10 30 DEEERN C#CCN(C1CCCC1)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000153097966 647350332 /nfs/dbraw/zinc/35/03/32/647350332.db2.gz DSYXAACSGZNJCM-UHFFFAOYSA-N 0 0 311.378 2.401 10 30 DEEERN C#CCOc1cccc([C@H](C)OC(=O)CCN2CCCC2=O)c1 ZINC000730703849 647382852 /nfs/dbraw/zinc/38/28/52/647382852.db2.gz PTHRHBHIGVHMCD-AWEZNQCLSA-N 0 0 315.369 2.315 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[S@](=O)CC ZINC000741423485 647454235 /nfs/dbraw/zinc/45/42/35/647454235.db2.gz VZLINVHKYLIAPQ-JOCHJYFZSA-N 0 0 319.430 2.024 10 30 DEEERN Cc1ccc2c(CC(=O)N3CCN(C4CC4)[C@H](C#N)C3)coc2c1 ZINC000732648832 647636063 /nfs/dbraw/zinc/63/60/63/647636063.db2.gz IYOWBOZLKKVJEB-MRXNPFEDSA-N 0 0 323.396 2.483 10 30 DEEERN CC(C)(C)c1nn(CN2CCN(C3CC3)[C@@H](C#N)C2)c(=S)o1 ZINC000732672977 647640036 /nfs/dbraw/zinc/64/00/36/647640036.db2.gz RGOSXNZJSIOIPP-LBPRGKRZSA-N 0 0 321.450 2.133 10 30 DEEERN N#Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000064240452 648034253 /nfs/dbraw/zinc/03/42/53/648034253.db2.gz OUZBPRNPDZZDGJ-UHFFFAOYSA-N 0 0 310.312 2.296 10 30 DEEERN N#Cc1ccc([C@H](O)COc2cc(Cl)ccc2C(N)=O)cc1 ZINC000154623099 648050520 /nfs/dbraw/zinc/05/05/20/648050520.db2.gz IVHKPJLRJMQHRG-CQSZACIVSA-N 0 0 316.744 2.423 10 30 DEEERN C#CC[C@H](OC(=O)c1ccc(S(=O)(=O)CC)cc1)C1CC1 ZINC000175340726 648343872 /nfs/dbraw/zinc/34/38/72/648343872.db2.gz MAXFVWWWTGJWEB-HNNXBMFYSA-N 0 0 306.383 2.439 10 30 DEEERN N#CC1(c2ccc(C(=O)OC[C@@H]3CC(=O)N(C4CC4)C3)cc2)CC1 ZINC000180080677 648454830 /nfs/dbraw/zinc/45/48/30/648454830.db2.gz FNETYRZLVIESEK-CYBMUJFWSA-N 0 0 324.380 2.409 10 30 DEEERN COC(=O)CC(C)(C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181067722 648543472 /nfs/dbraw/zinc/54/34/72/648543472.db2.gz WFCOSHKHTLWWFU-UHFFFAOYSA-N 0 0 300.358 2.313 10 30 DEEERN C#CCN(CC#C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000181936355 648793843 /nfs/dbraw/zinc/79/38/43/648793843.db2.gz JWQBNRYNGJIRFE-CYBMUJFWSA-N 0 0 311.303 2.014 10 30 DEEERN N#CCN(CC#N)C(=O)CCSc1c(F)cc(F)cc1F ZINC000070007175 648822802 /nfs/dbraw/zinc/82/28/02/648822802.db2.gz MHOFCYLRDHXBLZ-UHFFFAOYSA-N 0 0 313.304 2.462 10 30 DEEERN C[C@H](C#N)CNC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000182837640 648997038 /nfs/dbraw/zinc/99/70/38/648997038.db2.gz WOMOSVBZSDPENH-KBMXLJTQSA-N 0 0 301.390 2.444 10 30 DEEERN C#CCC(C)(C)COC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000185342189 649499912 /nfs/dbraw/zinc/49/99/12/649499912.db2.gz ISLQTGMUGKCOKQ-UHFFFAOYSA-N 0 0 300.401 2.358 10 30 DEEERN C#CCCNC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000733288093 649537252 /nfs/dbraw/zinc/53/72/52/649537252.db2.gz ZMCUZOUBBUTAIR-VIFPVBQESA-N 0 0 313.184 2.251 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)CN1C[C@@H](C)CC1=O ZINC000733294530 649538417 /nfs/dbraw/zinc/53/84/17/649538417.db2.gz IPFKCIBWHSORLA-ZDUSSCGKSA-N 0 0 303.362 2.409 10 30 DEEERN C#CCCNC(=O)N[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000733346537 649548720 /nfs/dbraw/zinc/54/87/20/649548720.db2.gz WLAKUBKQCTTXCZ-GFCCVEGCSA-N 0 0 301.346 2.027 10 30 DEEERN C=C(Br)CNC(=O)NCc1csc(CC)n1 ZINC000107740471 651481538 /nfs/dbraw/zinc/48/15/38/651481538.db2.gz RFZDGMNNXRIFDE-UHFFFAOYSA-N 0 0 304.213 2.413 10 30 DEEERN C#CCOc1ccc(NC(=O)CNC(=O)c2ccccc2C)cc1 ZINC000108453030 651645721 /nfs/dbraw/zinc/64/57/21/651645721.db2.gz WEYYZIXWBDXVGF-UHFFFAOYSA-N 0 0 322.364 2.376 10 30 DEEERN C#CCOc1ccccc1[C@@H](C)OC(=O)CCCS(C)(=O)=O ZINC000108939715 651762901 /nfs/dbraw/zinc/76/29/01/651762901.db2.gz ZOFAYDCZMHGSMM-CYBMUJFWSA-N 0 0 324.398 2.128 10 30 DEEERN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(C#N)cn1C ZINC000081080651 683987482 /nfs/dbraw/zinc/98/74/82/683987482.db2.gz JVTBPXULLJQGDH-GFCCVEGCSA-N 0 0 323.352 2.031 10 30 DEEERN Cn1cc(C#N)cc1C(=O)OCc1nccn1Cc1ccccc1 ZINC000083687543 683998842 /nfs/dbraw/zinc/99/88/42/683998842.db2.gz UOPMDYXOQXQOES-UHFFFAOYSA-N 0 0 320.352 2.499 10 30 DEEERN CC(C)C[C@@H](C)OCCC(=O)C(C#N)=C([O-])c1nccn1C ZINC000122625898 684117452 /nfs/dbraw/zinc/11/74/52/684117452.db2.gz RBDOMJQWICBXES-CHWSQXEVSA-N 0 0 305.378 2.153 10 30 DEEERN C#CCN(C(=O)[C@H]1CSCN1C(=O)CCCC)C1CCCC1 ZINC000155639001 684277336 /nfs/dbraw/zinc/27/73/36/684277336.db2.gz FZPQNTIUNPNSJZ-OAHLLOKOSA-N 0 0 322.474 2.483 10 30 DEEERN CC1(C)CC[C@H](CNC(=O)Cc2ccc(OCC#N)cc2)O1 ZINC000187329125 684335806 /nfs/dbraw/zinc/33/58/06/684335806.db2.gz DGFXJBGMAULXRQ-OAHLLOKOSA-N 0 0 302.374 2.205 10 30 DEEERN C=C[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1 ZINC000187517857 684338986 /nfs/dbraw/zinc/33/89/86/684338986.db2.gz DPVCTGWLQZGBLV-GFCCVEGCSA-N 0 0 311.403 2.447 10 30 DEEERN COc1ccccc1C(=O)N[C@@H](C(=O)OCCCC#N)C(C)C ZINC000194292882 685062841 /nfs/dbraw/zinc/06/28/41/685062841.db2.gz VXZTUODGEFEHFX-OAHLLOKOSA-N 0 0 318.373 2.297 10 30 DEEERN C#CCOc1ccccc1OC(=O)[C@H](C)N(C)CC(F)(F)F ZINC000194577700 685070076 /nfs/dbraw/zinc/07/00/76/685070076.db2.gz BBQMJSUNXSCROG-NSHDSACASA-N 0 0 315.291 2.487 10 30 DEEERN CCOCCCNC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000246576510 685132778 /nfs/dbraw/zinc/13/27/78/685132778.db2.gz NQDMIMBDZAYNFW-HRCADAONSA-N 0 0 320.433 2.454 10 30 DEEERN C[C@H](C#N)CNC(=O)N[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000248432866 685159278 /nfs/dbraw/zinc/15/92/78/685159278.db2.gz CTPDQNOJHPGTBL-FRRDWIJNSA-N 0 0 324.425 2.139 10 30 DEEERN Cc1ccnc(NC[C@@H]2CC(=O)N(C)[C@H]2c2ccncc2)c1C#N ZINC000886052902 691993619 /nfs/dbraw/zinc/99/36/19/691993619.db2.gz WKUNSFDYWPCIBP-YOEHRIQHSA-N 0 0 321.384 2.288 10 30 DEEERN CC(=O)N1C[C@@H](Nc2cccc(C#N)n2)CC[C@@H]1C(F)(F)F ZINC000886060656 691994939 /nfs/dbraw/zinc/99/49/39/691994939.db2.gz ZSKLRJQAEIEPIJ-NWDGAFQWSA-N 0 0 312.295 2.307 10 30 DEEERN C#CC[C@H](COC)NC(=O)c1ccsc1Br ZINC000716813033 793009019 /nfs/dbraw/zinc/00/90/19/793009019.db2.gz WOFYDKGIDJLWLA-MRVPVSSYSA-N 0 0 302.193 2.279 10 30 DEEERN N#CC1(CS(=O)(=O)N[C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000800158205 799325316 /nfs/dbraw/zinc/32/53/16/799325316.db2.gz OCMYGCWTALWWHK-ZDUSSCGKSA-N 0 0 310.806 2.030 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(C)c(Br)s1 ZINC000316485639 802512968 /nfs/dbraw/zinc/51/29/68/802512968.db2.gz PXSPELODDIMBEQ-QMMMGPOBSA-N 0 0 304.209 2.486 10 30 DEEERN N#Cc1c(F)cccc1S(=O)(=O)NCCC1(F)CCC1 ZINC000702470780 1086436617 /nfs/dbraw/zinc/43/66/17/1086436617.db2.gz GIITXAUAIGZELW-UHFFFAOYSA-N 0 0 300.330 2.258 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CSCN1C(C)=O ZINC000413992429 1089235875 /nfs/dbraw/zinc/23/58/75/1089235875.db2.gz XUZGVRYCWKQVFH-HZPDHXFCSA-N 0 0 318.442 2.211 10 30 DEEERN CSCC[C@H](C)NS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000719971980 1089423228 /nfs/dbraw/zinc/42/32/28/1089423228.db2.gz HOGUMJYLEOXXMW-VIFPVBQESA-N 0 0 302.396 2.117 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CCC(C)(C)O2)c1 ZINC000278250963 214046868 /nfs/dbraw/zinc/04/68/68/214046868.db2.gz MKIJPRYXVRFFPI-OAHLLOKOSA-N 0 0 314.385 2.022 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1-n1cccn1 ZINC000278331497 214096261 /nfs/dbraw/zinc/09/62/61/214096261.db2.gz WZFPTBYMZBHSDB-NVXWUHKLSA-N 0 0 311.385 2.470 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccsc1C(=O)OC ZINC000076854458 185047205 /nfs/dbraw/zinc/04/72/05/185047205.db2.gz LYUJKGITKNWUKL-UHFFFAOYSA-N 0 0 303.405 2.121 10 30 DEEERN C=CCn1c(C(=O)NC(C)C)nnc1N1CCCC2(CC2)CC1 ZINC000624835040 365565358 /nfs/dbraw/zinc/56/53/58/365565358.db2.gz UXNXIEFOEVTSSP-UHFFFAOYSA-N 0 0 317.437 2.373 10 30 DEEERN CC[C@@H](C#N)S(=O)(=O)N1CCCc2cc(C(C)=O)ccc21 ZINC000162289621 197557001 /nfs/dbraw/zinc/55/70/01/197557001.db2.gz VVXFIGNVEGYZCH-AWEZNQCLSA-N 0 0 306.387 2.274 10 30 DEEERN C=CCN(C(C)(C)C)S(=O)(=O)c1ccc(F)c(CO)c1 ZINC000162542747 197573113 /nfs/dbraw/zinc/57/31/13/197573113.db2.gz GHOPBPKRMAEOBL-UHFFFAOYSA-N 0 0 301.383 2.293 10 30 DEEERN C=C(C)Cn1c(N2CC3(C2)CCCO3)nnc1[C@@]1(C)CCCO1 ZINC000624974553 365604688 /nfs/dbraw/zinc/60/46/88/365604688.db2.gz NVPMJWJMHMQCRL-MRXNPFEDSA-N 0 0 318.421 2.249 10 30 DEEERN C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCC2(COC2)C1 ZINC000624979861 365605757 /nfs/dbraw/zinc/60/57/57/365605757.db2.gz HMNOJFWZBMSKFX-ZIAGYGMSSA-N 0 0 318.421 2.321 10 30 DEEERN N#Cc1ccc(NC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000163049550 197608924 /nfs/dbraw/zinc/60/89/24/197608924.db2.gz KMWBOIRYYFAYAI-ONGXEEELSA-N 0 0 320.780 2.377 10 30 DEEERN C=CCN(CC(=O)Nc1ccc(Br)cc1)C(C)=O ZINC000096775008 185387201 /nfs/dbraw/zinc/38/72/01/185387201.db2.gz RCVJIWVJBFAHTP-UHFFFAOYSA-N 0 0 311.179 2.422 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(CC)CCc1nccs1 ZINC000612939583 361956274 /nfs/dbraw/zinc/95/62/74/361956274.db2.gz WMLBZNCVLCSPPN-CYBMUJFWSA-N 0 0 309.435 2.005 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC)c1c(C)noc1C ZINC000613019063 361983787 /nfs/dbraw/zinc/98/37/87/361983787.db2.gz RFXUZNHZWUKTBK-KBPBESRZSA-N 0 0 307.394 2.330 10 30 DEEERN CCCc1nnsc1C(=O)Nc1ccc(C#CCO)cc1 ZINC000087456302 185225575 /nfs/dbraw/zinc/22/55/75/185225575.db2.gz SWHZDIIAGYAHHX-UHFFFAOYSA-N 0 0 301.371 2.087 10 30 DEEERN Cc1ccc(C#CCCO)cc1C(=O)NCc1nccs1 ZINC000087746139 185231131 /nfs/dbraw/zinc/23/11/31/185231131.db2.gz TUIWBYALPSMBPR-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN C[C@@](N)(C#N)CCOc1ccc(Br)cc1[N+](=O)[O-] ZINC000088086842 185239373 /nfs/dbraw/zinc/23/93/73/185239373.db2.gz TXZFEJFHFWXRMN-NSHDSACASA-N 0 0 314.139 2.367 10 30 DEEERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCOC[C@@H]1C ZINC000329075635 529591908 /nfs/dbraw/zinc/59/19/08/529591908.db2.gz BVPMWIKFOCSPBM-REWJHTLYSA-N 0 0 307.394 2.362 10 30 DEEERN COc1ccc(C#CCO)cc1NC(=O)CCC(F)(F)F ZINC000088834231 185266568 /nfs/dbraw/zinc/26/65/68/185266568.db2.gz GYUJHFTVFPCSPU-UHFFFAOYSA-N 0 0 301.264 2.320 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1[C@@H](C)[C@H](OC)C1(CC)CC ZINC000613225263 362047602 /nfs/dbraw/zinc/04/76/02/362047602.db2.gz GDURAINSTPUFGN-BVUBDWEXSA-N 0 0 324.465 2.413 10 30 DEEERN C=CCCC(C)(C)NS(=O)(=O)CC1(OCC)CCOCC1 ZINC000625287133 365714873 /nfs/dbraw/zinc/71/48/73/365714873.db2.gz ACCVZXVLHIOXPG-UHFFFAOYSA-N 0 0 319.467 2.236 10 30 DEEERN Cc1noc(C)c1[C@H](C)NC(=O)c1sccc1C#CCO ZINC000092341614 185313348 /nfs/dbraw/zinc/31/33/48/185313348.db2.gz HDVZGYYDZOZWMS-VIFPVBQESA-N 0 0 304.371 2.188 10 30 DEEERN C=C(C)[C@H](NC(=O)Cc1cnnn1C)c1ccc(F)c(F)c1 ZINC000613610031 362162129 /nfs/dbraw/zinc/16/21/29/362162129.db2.gz MBNUNUPTCVKZHV-HNNXBMFYSA-N 0 0 306.316 2.069 10 30 DEEERN C[C@H](C#N)CN(C)c1cc2c(cc1Br)C(=O)C(=O)N2 ZINC000092773397 185339722 /nfs/dbraw/zinc/33/97/22/185339722.db2.gz KKJQRDFTBLNMST-SSDOTTSWSA-N 0 0 322.162 2.180 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000625350228 365742223 /nfs/dbraw/zinc/74/22/23/365742223.db2.gz KGUGXDCSTJPBKS-SNVBAGLBSA-N 0 0 309.416 2.278 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2c(C(F)F)c(C)nn2C)C1 ZINC000625355327 365743369 /nfs/dbraw/zinc/74/33/69/365743369.db2.gz QLVCVLDMNCIMFO-JTQLQIEISA-N 0 0 319.377 2.253 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)NCC(C)(C)C(F)(F)CC ZINC000625357055 365745052 /nfs/dbraw/zinc/74/50/52/365745052.db2.gz LMLKQHFUBAQMJZ-UHFFFAOYSA-N 0 0 302.365 2.375 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@H]1c1ccncc1 ZINC000625382136 365756611 /nfs/dbraw/zinc/75/66/11/365756611.db2.gz XMZZYTFOPXQWEM-HNNXBMFYSA-N 0 0 315.417 2.464 10 30 DEEERN Cc1ccc([C@H](C#N)C(=O)[C@@H]2CCCCS2(=O)=O)cc1C ZINC000168534007 197725360 /nfs/dbraw/zinc/72/53/60/197725360.db2.gz QJMWMIQHSZBLCW-GJZGRUSLSA-N 0 0 305.399 2.447 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000625449706 365790051 /nfs/dbraw/zinc/79/00/51/365790051.db2.gz FDTCONZDRNYBCX-CYBMUJFWSA-N 0 0 318.421 2.182 10 30 DEEERN CN1CCOc2ccc(NC(=O)N3CCO[C@@H](C4CC4)C3)cc21 ZINC000330144042 529791263 /nfs/dbraw/zinc/79/12/63/529791263.db2.gz RMHNMAXOMMHLLI-MRXNPFEDSA-N 0 0 317.389 2.172 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000614244787 362327397 /nfs/dbraw/zinc/32/73/97/362327397.db2.gz MUMLFMSEYLKBAK-JLLWLGSASA-N 0 0 306.328 2.257 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1c(C2CCC2)cnn1C ZINC000614373222 362365971 /nfs/dbraw/zinc/36/59/71/362365971.db2.gz QBEQUIBKLNIROU-CJNGLKHVSA-N 0 0 303.406 2.399 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1nc(CN2CCCCC2)no1 ZINC000614465977 362388307 /nfs/dbraw/zinc/38/83/07/362388307.db2.gz HOMFQINKPNJXIY-ZDUSSCGKSA-N 0 0 306.410 2.274 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(OC)cc(OC)c1C ZINC000614479828 362393584 /nfs/dbraw/zinc/39/35/84/362393584.db2.gz QGLOXGSZPVCQKU-OAHLLOKOSA-N 0 0 320.389 2.422 10 30 DEEERN C=CCNC(=O)N1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000056541509 190684468 /nfs/dbraw/zinc/68/44/68/190684468.db2.gz IMBXECKOHGFGGC-UHFFFAOYSA-N 0 0 321.808 2.384 10 30 DEEERN C=CCNC(=O)C1CN(c2nc3ccc(OC)cc3s2)C1 ZINC000062167248 190694612 /nfs/dbraw/zinc/69/46/12/190694612.db2.gz QMTPTTVODBJEBS-UHFFFAOYSA-N 0 0 303.387 2.043 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H](C)CC(=C)C ZINC000615216069 362559461 /nfs/dbraw/zinc/55/94/61/362559461.db2.gz QXSBIJKDFFIVCG-HRCADAONSA-N 0 0 324.465 2.127 10 30 DEEERN CSCc1nc2ccccc2n1CC(=O)N[C@@H](C#N)C1CC1 ZINC000108842612 185535829 /nfs/dbraw/zinc/53/58/29/185535829.db2.gz NZULKIKZFBVMDF-ZDUSSCGKSA-N 0 0 314.414 2.318 10 30 DEEERN CCOc1ccc(C(=O)N2CC[C@@](F)(C#N)C2)cc1[N+](=O)[O-] ZINC000615592990 362649131 /nfs/dbraw/zinc/64/91/31/362649131.db2.gz IDZVLEXJHMOQMW-CQSZACIVSA-N 0 0 307.281 2.071 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C1CC(OC(C)(C)C)C1 ZINC000616382486 362842677 /nfs/dbraw/zinc/84/26/77/362842677.db2.gz JRZGIPRQVZVZIK-YMAMQOFZSA-N 0 0 310.438 2.262 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1COC[C@@H]1c1ccccc1 ZINC000616409029 362849097 /nfs/dbraw/zinc/84/90/97/362849097.db2.gz GUQQLVKRFNRQHE-YVSFHVDLSA-N 0 0 301.386 2.124 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1cc(F)c(Cl)cc1F ZINC000279744237 215108986 /nfs/dbraw/zinc/10/89/86/215108986.db2.gz PHPOIRWPEKXGDQ-SECBINFHSA-N 0 0 304.724 2.354 10 30 DEEERN N#Cc1ccc(Cl)c(Nc2cccc(S(N)(=O)=O)c2N)c1 ZINC000126753072 185890820 /nfs/dbraw/zinc/89/08/20/185890820.db2.gz XQSWBZPFBRASLX-UHFFFAOYSA-N 0 0 322.777 2.185 10 30 DEEERN CS(=O)(=O)CC(=O)[C@H](C#N)c1ccc(Cl)cc1Cl ZINC000070129657 190860136 /nfs/dbraw/zinc/86/01/36/190860136.db2.gz KFKSVPYTANBQRZ-SECBINFHSA-N 0 0 306.170 2.214 10 30 DEEERN CS(=O)(=O)N1c2ccccc2NC[C@H]1c1cccc(C#N)c1 ZINC000616685196 362909963 /nfs/dbraw/zinc/90/99/63/362909963.db2.gz RARGNZDEWZOYDL-INIZCTEOSA-N 0 0 313.382 2.491 10 30 DEEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000083741708 192380600 /nfs/dbraw/zinc/38/06/00/192380600.db2.gz BUDHJCYJTKOBJH-OAHLLOKOSA-N 0 0 324.388 2.135 10 30 DEEERN Cc1ccc(C#CCO)cc1C(=O)N1CCS[C@H](C)[C@H]1C ZINC000133658300 186003777 /nfs/dbraw/zinc/00/37/77/186003777.db2.gz RUCNVPNDPPIVQT-ZIAGYGMSSA-N 0 0 303.427 2.305 10 30 DEEERN CC(C)(C#N)CCCOc1c(F)cc(F)cc1S(N)(=O)=O ZINC000147418259 186039358 /nfs/dbraw/zinc/03/93/58/186039358.db2.gz HVJZPRFMLRJCNU-UHFFFAOYSA-N 0 0 318.345 2.321 10 30 DEEERN CC(C)OC(=O)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 ZINC000072237023 191080189 /nfs/dbraw/zinc/08/01/89/191080189.db2.gz QEAJTBYPKPPMCX-UHFFFAOYSA-N 0 0 304.733 2.478 10 30 DEEERN C=C(C)COCCNc1cnn(CC)c(=O)c1Br ZINC000163990886 186144878 /nfs/dbraw/zinc/14/48/78/186144878.db2.gz IPIHAQHVTMLTHF-UHFFFAOYSA-N 0 0 316.199 2.030 10 30 DEEERN N#Cc1cc(NC[C@@H]2CCS(=O)(=O)C2)ccc1C(F)(F)F ZINC000163946460 186143349 /nfs/dbraw/zinc/14/33/49/186143349.db2.gz USEMPIDUSFVBDL-VIFPVBQESA-N 0 0 318.320 2.424 10 30 DEEERN C#CCCCCC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000179703335 186207805 /nfs/dbraw/zinc/20/78/05/186207805.db2.gz FNWQBKZNFSULDJ-CQSZACIVSA-N 0 0 305.399 2.215 10 30 DEEERN COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cccc(C#N)c1 ZINC000181903434 186217407 /nfs/dbraw/zinc/21/74/07/186217407.db2.gz WOWTWIVRMUWXRD-DOMZBBRYSA-N 0 0 311.389 2.482 10 30 DEEERN C#C[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000186007585 186230781 /nfs/dbraw/zinc/23/07/81/186230781.db2.gz CLJFCDDPHQUYGM-ZBFHGGJFSA-N 0 0 314.385 2.173 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000265133972 186335672 /nfs/dbraw/zinc/33/56/72/186335672.db2.gz HUKNFUZRCLVKSX-KBPBESRZSA-N 0 0 302.374 2.017 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cn1c(C)cc(C)nc1=O ZINC000617042732 363008041 /nfs/dbraw/zinc/00/80/41/363008041.db2.gz VITXPCQBYOCVBH-GJZGRUSLSA-N 0 0 303.406 2.111 10 30 DEEERN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)C(N)=O ZINC000171839814 197993799 /nfs/dbraw/zinc/99/37/99/197993799.db2.gz NDYNQNSRHCXYLT-NXEZZACHSA-N 0 0 306.391 2.076 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000617264828 363070062 /nfs/dbraw/zinc/07/00/62/363070062.db2.gz PYJQLQYELKALFY-CQSZACIVSA-N 0 0 312.373 2.005 10 30 DEEERN C=C(C)COCCNC(=O)c1cc(C)n([C@H]2CCOC2)c1C ZINC000626125716 366063044 /nfs/dbraw/zinc/06/30/44/366063044.db2.gz VKPQJPPGWFNPSD-HNNXBMFYSA-N 0 0 306.406 2.389 10 30 DEEERN C=CCCC1(CNC(=O)[C@@H]2CCc3nncn3C2)CCCC1 ZINC000617417979 363129020 /nfs/dbraw/zinc/12/90/20/363129020.db2.gz OFFMCPUYDKFMBB-CQSZACIVSA-N 0 0 302.422 2.483 10 30 DEEERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)CCC#N ZINC000072615597 191201282 /nfs/dbraw/zinc/20/12/82/191201282.db2.gz ZFXOTSNGONTZOF-CQSZACIVSA-N 0 0 321.808 2.466 10 30 DEEERN C=CCNC(=O)[C@H](C)N(C)Cc1csc([C@@H](C)OCC)n1 ZINC000072762696 191227416 /nfs/dbraw/zinc/22/74/16/191227416.db2.gz KCCHBWVYMPODFA-NWDGAFQWSA-N 0 0 311.451 2.363 10 30 DEEERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000328923012 539912684 /nfs/dbraw/zinc/91/26/84/539912684.db2.gz MVTTUJIMUQKZEW-XQQFMLRXSA-N 0 0 320.437 2.176 10 30 DEEERN C[C@@]12CCCN1C[C@@H](c1noc(C3(C#N)CCCC3)n1)OC2 ZINC000329639911 539925103 /nfs/dbraw/zinc/92/51/03/539925103.db2.gz ZGSKMBBKIQPIHC-WFASDCNBSA-N 0 0 302.378 2.331 10 30 DEEERN C=CCOCCCC(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000173122723 198186624 /nfs/dbraw/zinc/18/66/24/198186624.db2.gz FSEHYBCPPVLZBY-CQSZACIVSA-N 0 0 318.421 2.302 10 30 DEEERN C=CCN(C(=O)c1cnn(-c2ccccc2)c1N)[C@@H](C)COC ZINC000617583096 363196285 /nfs/dbraw/zinc/19/62/85/363196285.db2.gz ALLTUPRELJABAN-ZDUSSCGKSA-N 0 0 314.389 2.118 10 30 DEEERN C=CCN(C(=O)c1cccc2c1CC(=O)CC2)[C@@H](C)COC ZINC000617584024 363197406 /nfs/dbraw/zinc/19/74/06/363197406.db2.gz VGRCVHYVLNCREB-ZDUSSCGKSA-N 0 0 301.386 2.408 10 30 DEEERN C[C@@]12CN(S(=O)(=O)c3cncc(C#N)c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333099787 539948609 /nfs/dbraw/zinc/94/86/09/539948609.db2.gz PSOLTAKTPOIPDP-CLWVCHIJSA-N 0 0 317.414 2.010 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000332914174 539943721 /nfs/dbraw/zinc/94/37/21/539943721.db2.gz SVXARVVVWDNEJE-MELADBBJSA-N 0 0 323.462 2.423 10 30 DEEERN C[C@@H](C#N)CN(C)c1ccc(I)cc1N ZINC000085101949 192480013 /nfs/dbraw/zinc/48/00/13/192480013.db2.gz AEUSVOSMQRDRNK-QMMMGPOBSA-N 0 0 315.158 2.469 10 30 DEEERN N#Cc1ccc(CN2C(=O)N[C@H](CC(F)(F)F)C2=O)c(F)c1 ZINC000617675037 363220875 /nfs/dbraw/zinc/22/08/75/363220875.db2.gz JEANITDYNMCFMZ-SNVBAGLBSA-N 0 0 315.226 2.070 10 30 DEEERN N#Cc1csc(C(=O)N2CCC(Nc3cccnn3)CC2)c1 ZINC000175879976 198520947 /nfs/dbraw/zinc/52/09/47/198520947.db2.gz OIXQCNHKJAVMHZ-UHFFFAOYSA-N 0 0 313.386 2.126 10 30 DEEERN C=CC[C@H]1CCCN(C(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1 ZINC000617782271 363263616 /nfs/dbraw/zinc/26/36/16/363263616.db2.gz BPRVBTCRFKFVKJ-LBPRGKRZSA-N 0 0 303.406 2.413 10 30 DEEERN CCOC(=O)N1CCc2c(C#N)c(NC(=O)CC)sc2C1 ZINC000004281023 181092059 /nfs/dbraw/zinc/09/20/59/181092059.db2.gz IDWCURPHMNBFHR-UHFFFAOYSA-N 0 0 307.375 2.483 10 30 DEEERN C=C(C)COc1cccc(NC(=O)NC[C@@H]2COCCN2C)c1 ZINC000626355819 366159664 /nfs/dbraw/zinc/15/96/64/366159664.db2.gz CEHPYSTWXUBZAT-OAHLLOKOSA-N 0 0 319.405 2.094 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc3c(c2)OCC(=O)N3C)C1 ZINC000626553192 366225029 /nfs/dbraw/zinc/22/50/29/366225029.db2.gz DIWAHCKWAFZJJE-GFCCVEGCSA-N 0 0 315.373 2.472 10 30 DEEERN C=CCn1cc(C(=O)NCc2cccc(OC3CC3)c2F)nn1 ZINC000618138937 363392095 /nfs/dbraw/zinc/39/20/95/363392095.db2.gz NDLIUMXVNZXFLS-UHFFFAOYSA-N 0 0 316.336 2.074 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(-n2cncn2)cc1 ZINC000069468096 354864976 /nfs/dbraw/zinc/86/49/76/354864976.db2.gz YEQZPPYFSIDYEG-UHFFFAOYSA-N 0 0 310.279 2.458 10 30 DEEERN C=CCC1(NC(=O)Cn2cnc3c2CCCC3)CCOCC1 ZINC000618249127 363431038 /nfs/dbraw/zinc/43/10/38/363431038.db2.gz HQJOEOMZEALYFE-UHFFFAOYSA-N 0 0 303.406 2.003 10 30 DEEERN NC(=NO[C@@H]1CCN(c2ccccc2)C1=O)c1ccsc1 ZINC000075138230 355071316 /nfs/dbraw/zinc/07/13/16/355071316.db2.gz GWPKCWVDGIUONP-CYBMUJFWSA-N 0 0 301.371 2.191 10 30 DEEERN Cn1c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2n(C)c1=O ZINC000074956666 191395994 /nfs/dbraw/zinc/39/59/94/191395994.db2.gz BBKVDAXVBAYPIL-UHFFFAOYSA-N 0 0 306.325 2.001 10 30 DEEERN C[C@H]1Oc2ccc(CC(=O)Nc3ccc(C#N)cc3)cc2NC1=O ZINC000074966253 191397438 /nfs/dbraw/zinc/39/74/38/191397438.db2.gz PWKZLHNKPRVTRA-LLVKDONJSA-N 0 0 321.336 2.459 10 30 DEEERN N#Cc1ccc(NCC(=O)N2CCC[C@]3(CCCOC3)C2)cc1 ZINC000079987143 355340532 /nfs/dbraw/zinc/34/05/32/355340532.db2.gz DXUNTMXCJWLNOX-SFHVURJKSA-N 0 0 313.401 2.389 10 30 DEEERN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H](C)CO ZINC000077691709 191757319 /nfs/dbraw/zinc/75/73/19/191757319.db2.gz RRSHYWJFKZKJKU-NWDGAFQWSA-N 0 0 305.378 2.484 10 30 DEEERN C=CCOc1ccc(CN2CCC(O)(C(=O)OCC)CC2)cc1 ZINC000093595699 355684701 /nfs/dbraw/zinc/68/47/01/355684701.db2.gz SRSAMCADENFEIY-UHFFFAOYSA-N 0 0 319.401 2.141 10 30 DEEERN N#Cc1cc(COc2nc3c(s2)C(=O)NCC3)ccc1F ZINC000117775191 355778597 /nfs/dbraw/zinc/77/85/97/355778597.db2.gz OOFFXZHTQSHISX-UHFFFAOYSA-N 0 0 303.318 2.019 10 30 DEEERN N#Cc1ccc2nc(N3CCN(c4cccnn4)CC3)ccc2c1 ZINC000179904034 356035733 /nfs/dbraw/zinc/03/57/33/356035733.db2.gz JAIONLBDWPPTHG-UHFFFAOYSA-N 0 0 316.368 2.223 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCCCNc1cccc(F)c1 ZINC000182442371 356127478 /nfs/dbraw/zinc/12/74/78/356127478.db2.gz ODXNYBXZFZLNRA-UHFFFAOYSA-N 0 0 300.337 2.268 10 30 DEEERN C=C[C@H](CC(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1)c1ccccc1 ZINC000618324242 363460052 /nfs/dbraw/zinc/46/00/52/363460052.db2.gz SHNJVFHBOMJQOB-IIAWOOMASA-N 0 0 321.442 2.428 10 30 DEEERN CCOC(=O)c1cc(I)ccc1C#N ZINC000238257971 356303208 /nfs/dbraw/zinc/30/32/08/356303208.db2.gz CSOFNDYQDYPZFT-UHFFFAOYSA-N 0 0 301.083 2.340 10 30 DEEERN N#Cc1ncc(I)cc1OC(F)(F)F ZINC000238532009 356304215 /nfs/dbraw/zinc/30/42/15/356304215.db2.gz RZICUAJMNWPBHI-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN CCOCCC(=O)N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 ZINC000328606761 356459763 /nfs/dbraw/zinc/45/97/63/356459763.db2.gz SWUYNSCSSODXIN-QWHCGFSZSA-N 0 0 324.425 2.372 10 30 DEEERN C=CCOCCCNC(=O)c1cc(Br)ccc1O ZINC000618515021 363512893 /nfs/dbraw/zinc/51/28/93/363512893.db2.gz SOEZLEWUJLIIAP-UHFFFAOYSA-N 0 0 314.179 2.477 10 30 DEEERN C=CCOCCCNC(=O)c1ccn(-c2ccccc2F)n1 ZINC000618521676 363514502 /nfs/dbraw/zinc/51/45/02/363514502.db2.gz ZAENPDFDJMYLQS-UHFFFAOYSA-N 0 0 303.337 2.334 10 30 DEEERN C=CCOCCCNC(=O)c1sc2nc(C)nc(N)c2c1C ZINC000618525442 363515674 /nfs/dbraw/zinc/51/56/74/363515674.db2.gz BCDZTPNVPHMNCJ-UHFFFAOYSA-N 0 0 320.418 2.213 10 30 DEEERN C=CCOCCCNC(=O)c1cn(-c2cccc(Cl)c2)nn1 ZINC000618525767 363516207 /nfs/dbraw/zinc/51/62/07/363516207.db2.gz GFMHLTHXSHCPPM-UHFFFAOYSA-N 0 0 320.780 2.243 10 30 DEEERN C=CCC1(c2nc(CC(=O)NC3CCCC3)no2)CCOCC1 ZINC000351288439 356648529 /nfs/dbraw/zinc/64/85/29/356648529.db2.gz IJYZTWMSAUNUJS-UHFFFAOYSA-N 0 0 319.405 2.295 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1COc2cc(F)ccc2C1 ZINC000626831951 366340240 /nfs/dbraw/zinc/34/02/40/366340240.db2.gz NOWVNLDDAGZXCR-CPUCHLNUSA-N 0 0 319.376 2.474 10 30 DEEERN N#Cc1c(Br)cccc1NCC[C@@]1(O)CCOC1 ZINC000404170212 356731668 /nfs/dbraw/zinc/73/16/68/356731668.db2.gz UAWBXLFJMUKEGB-CYBMUJFWSA-N 0 0 311.179 2.274 10 30 DEEERN N#C[C@H](CC(N)=O)Nc1ccc(Cl)c(Br)c1 ZINC000087152874 192626146 /nfs/dbraw/zinc/62/61/46/192626146.db2.gz CBQXZLWPPCVVOQ-ZETCQYMHSA-N 0 0 302.559 2.282 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)nc2onc(C)c21 ZINC000581186169 357143800 /nfs/dbraw/zinc/14/38/00/357143800.db2.gz GIUPYMCKWHKUSU-AAEUAGOBSA-N 0 0 301.346 2.161 10 30 DEEERN CO[C@@]1(C(F)(F)F)CCCN(c2nc(C)cc(C#N)n2)C1 ZINC000588026803 357389816 /nfs/dbraw/zinc/38/98/16/357389816.db2.gz CUWJUCIZKIESKB-LBPRGKRZSA-N 0 0 300.284 2.204 10 30 DEEERN Cc1cc(C#N)cc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000586986075 357379150 /nfs/dbraw/zinc/37/91/50/357379150.db2.gz AUAMYJIAWMYPEM-UHFFFAOYSA-N 0 0 317.396 2.456 10 30 DEEERN C[C@@]12CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C[C@@H]1C2(F)F ZINC000590262975 357528874 /nfs/dbraw/zinc/52/88/74/357528874.db2.gz VGVKJLGIDWEDME-SWLSCSKDSA-N 0 0 319.311 2.000 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3C3CC3)cc2C1=O ZINC000590720797 357592605 /nfs/dbraw/zinc/59/26/05/357592605.db2.gz PLMRYWPUKCWRPS-MRXNPFEDSA-N 0 0 324.380 2.483 10 30 DEEERN C=CCCn1cc(C(=O)Nc2cccc(C(=O)OC)c2C)nn1 ZINC000591739431 357756345 /nfs/dbraw/zinc/75/63/45/357756345.db2.gz WCBQDXZUNYABRU-UHFFFAOYSA-N 0 0 314.345 2.202 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000591857276 357768648 /nfs/dbraw/zinc/76/86/48/357768648.db2.gz JMIVIUMCZWAFCO-XIRDDKMYSA-N 0 0 311.385 2.436 10 30 DEEERN C=C(C)CNC(=O)NCC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000591969483 357807789 /nfs/dbraw/zinc/80/77/89/357807789.db2.gz PNYQERXVIMDMEZ-UHFFFAOYSA-N 0 0 312.410 2.000 10 30 DEEERN C[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)CC(F)F ZINC000592067816 357823597 /nfs/dbraw/zinc/82/35/97/357823597.db2.gz SUAHOJNBQOKVGJ-MRVPVSSYSA-N 0 0 306.309 2.267 10 30 DEEERN C=CCn1c(-c2scnc2C)nnc1N1CC[C@@](F)(C#N)C1 ZINC000592402575 357873610 /nfs/dbraw/zinc/87/36/10/357873610.db2.gz VRVHNOAGGKVBJT-CQSZACIVSA-N 0 0 318.381 2.338 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2C[C@@H](OCC)[C@H]2SC)CCOCC1 ZINC000592700495 357927806 /nfs/dbraw/zinc/92/78/06/357927806.db2.gz HEMVXCXFDHJOFZ-MCIONIFRSA-N 0 0 313.463 2.385 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1sc(C)cc1C(=O)OC ZINC000593554362 358101411 /nfs/dbraw/zinc/10/14/11/358101411.db2.gz BNOSXENHADJWAL-UHFFFAOYSA-N 0 0 324.402 2.206 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1 ZINC000593603296 358109287 /nfs/dbraw/zinc/10/92/87/358109287.db2.gz KVHXQCDTXZHICK-SUMWQHHRSA-N 0 0 309.406 2.108 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1 ZINC000593603295 358109371 /nfs/dbraw/zinc/10/93/71/358109371.db2.gz KVHXQCDTXZHICK-GUYCJALGSA-N 0 0 309.406 2.108 10 30 DEEERN C=CCCN(C)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000276675455 213039582 /nfs/dbraw/zinc/03/95/82/213039582.db2.gz RVVJUYFSDDVWKL-HNNXBMFYSA-N 0 0 319.380 2.144 10 30 DEEERN C=CCCn1cc(C[S@@](=O)c2ccc(NC(C)=O)cc2)nn1 ZINC000593939411 358174806 /nfs/dbraw/zinc/17/48/06/358174806.db2.gz XOHPKIAJAJQJPK-JOCHJYFZSA-N 0 0 318.402 2.120 10 30 DEEERN C=CCCn1cc(C[S@@](=O)Cc2ccc3c(c2)OCO3)nn1 ZINC000593943544 358175712 /nfs/dbraw/zinc/17/57/12/358175712.db2.gz VNZPVFGCVNTTQB-QFIPXVFZSA-N 0 0 319.386 2.032 10 30 DEEERN C=CCCn1cc(CSc2nnc(C)c(C)c2C#N)nn1 ZINC000594456145 358277348 /nfs/dbraw/zinc/27/73/48/358277348.db2.gz JZGXJGKDFWHPOQ-UHFFFAOYSA-N 0 0 300.391 2.425 10 30 DEEERN C=CCCn1cc(CSCc2nsc(N(C)C)n2)nn1 ZINC000594558520 358294063 /nfs/dbraw/zinc/29/40/63/358294063.db2.gz PMNZBJLGNIFSGZ-UHFFFAOYSA-N 0 0 310.452 2.205 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)N(CC)C[C@H](C)C#N ZINC000594788386 358337465 /nfs/dbraw/zinc/33/74/65/358337465.db2.gz BEOBSODNUNTQJB-RBSFLKMASA-N 0 0 313.467 2.437 10 30 DEEERN C=CCOCCCNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000594849432 358347803 /nfs/dbraw/zinc/34/78/03/358347803.db2.gz AYKGGSDTNIHOLW-UHFFFAOYSA-N 0 0 314.794 2.083 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@]1(C)CC1(F)F ZINC000594850242 358348401 /nfs/dbraw/zinc/34/84/01/358348401.db2.gz DCISEEPMGUIAKS-GFCCVEGCSA-N 0 0 300.330 2.190 10 30 DEEERN C=CCCSCCNC(=O)C(=O)Nc1cnccc1CC ZINC000595116165 358390451 /nfs/dbraw/zinc/39/04/51/358390451.db2.gz MDIDSJNEOWVNPH-UHFFFAOYSA-N 0 0 307.419 2.008 10 30 DEEERN C=CCCSCCNC(=O)NCC1(O)Cc2ccccc2C1 ZINC000595724920 358533169 /nfs/dbraw/zinc/53/31/69/358533169.db2.gz AWZWWUOWCVKGML-UHFFFAOYSA-N 0 0 320.458 2.125 10 30 DEEERN COC[C@H](COc1cc(Br)ccc1C#N)OC ZINC000596295594 358662411 /nfs/dbraw/zinc/66/24/11/358662411.db2.gz YZDWGTNAKGBRSP-LLVKDONJSA-N 0 0 300.152 2.361 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000597863900 359028052 /nfs/dbraw/zinc/02/80/52/359028052.db2.gz IQKPQMGINDGENT-OLZOCXBDSA-N 0 0 306.366 2.351 10 30 DEEERN C=CCC[C@H](NC(=O)c1ncn2ccc(C)cc12)C(=O)OCC ZINC000597731574 358992562 /nfs/dbraw/zinc/99/25/62/358992562.db2.gz CSBZSFQOZHJENR-ZDUSSCGKSA-N 0 0 315.373 2.270 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000185869087 199898112 /nfs/dbraw/zinc/89/81/12/199898112.db2.gz CVDDNWQHMQNBMY-ZDUSSCGKSA-N 0 0 315.373 2.061 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(Cc2ccc(C)cc2)C1 ZINC000618896668 363628319 /nfs/dbraw/zinc/62/83/19/363628319.db2.gz OYTYZMMGXJHGMD-SFHVURJKSA-N 0 0 314.429 2.467 10 30 DEEERN C=CCCO[C@H](C)C(=O)Nc1cccc2c1CCN(C)C2=O ZINC000618899424 363629304 /nfs/dbraw/zinc/62/93/04/363629304.db2.gz UDIKPULHSGFXMN-GFCCVEGCSA-N 0 0 302.374 2.234 10 30 DEEERN N#Cc1cc(S(=O)(=O)NCC[C@H]2CC2(F)F)ccc1F ZINC000598621531 359264368 /nfs/dbraw/zinc/26/43/68/359264368.db2.gz HRURMCZFIARGHB-VIFPVBQESA-N 0 0 304.293 2.021 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000598804832 359331341 /nfs/dbraw/zinc/33/13/41/359331341.db2.gz MMENVOHSZYROTB-OAHLLOKOSA-N 0 0 318.373 2.191 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1ccc(C(=O)OCC)o1 ZINC000599359399 359475949 /nfs/dbraw/zinc/47/59/49/359475949.db2.gz AKLHLWZPISOEGO-UHFFFAOYSA-N 0 0 315.391 2.337 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1csc(C(=O)OC)c1 ZINC000599361246 359477263 /nfs/dbraw/zinc/47/72/63/359477263.db2.gz SMFQTAZGODBJNX-UHFFFAOYSA-N 0 0 317.432 2.415 10 30 DEEERN N#CCc1cccc(S(=O)(=O)N2CCC[C@@H]2C(F)(F)F)c1 ZINC000599430048 359494455 /nfs/dbraw/zinc/49/44/55/359494455.db2.gz VFCSZJMZSXNIGT-GFCCVEGCSA-N 0 0 318.320 2.468 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599375398 359482546 /nfs/dbraw/zinc/48/25/46/359482546.db2.gz UWCAKNAOJYSCTE-CQSZACIVSA-N 0 0 324.402 2.365 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000599374987 359482694 /nfs/dbraw/zinc/48/26/94/359482694.db2.gz PCFLYNXIXBYRIT-LBPRGKRZSA-N 0 0 310.375 2.323 10 30 DEEERN Cc1noc([C@H]2CN(Cc3cccc(C#N)c3F)C[C@@H](C)O2)n1 ZINC000599607689 359540765 /nfs/dbraw/zinc/54/07/65/359540765.db2.gz LPRUIFRPSBRAKZ-QMTHXVAHSA-N 0 0 316.336 2.351 10 30 DEEERN Cc1noc([C@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@@H](C)O2)n1 ZINC000599608026 359540931 /nfs/dbraw/zinc/54/09/31/359540931.db2.gz OAHCTBFECFIYHE-MEBBXXQBSA-N 0 0 316.336 2.351 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000600212963 359691807 /nfs/dbraw/zinc/69/18/07/359691807.db2.gz MJIOOHMIOWAKQE-ZDUSSCGKSA-N 0 0 306.366 2.223 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCc1ccc(CC(=O)OC)cc1)OCC ZINC000600222443 359694441 /nfs/dbraw/zinc/69/44/41/359694441.db2.gz HKQJMIIFUXROPB-MRXNPFEDSA-N 0 0 319.401 2.390 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H](Cc1cccc(OC)c1)C(=O)OC ZINC000600269144 359708047 /nfs/dbraw/zinc/70/80/47/359708047.db2.gz QNUZPRFYVSYVMN-XJKSGUPXSA-N 0 0 319.401 2.498 10 30 DEEERN C=CCCSCCN1C(=O)N[C@@H](C[C@H]2CCCOC2)C1=O ZINC000600704582 359803793 /nfs/dbraw/zinc/80/37/93/359803793.db2.gz WTBCWIWVOIZYPY-OLZOCXBDSA-N 0 0 312.435 2.033 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cnn(CCF)c1 ZINC000627635456 366573859 /nfs/dbraw/zinc/57/38/59/366573859.db2.gz QTASXAAVOSETQK-JSGCOSHPSA-N 0 0 322.384 2.042 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C)nn1CC ZINC000627635397 366574216 /nfs/dbraw/zinc/57/42/16/366574216.db2.gz OCEOXKWIYNAJEE-KGLIPLIRSA-N 0 0 318.421 2.401 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cnc2c(C)cccn12 ZINC000619015713 363670087 /nfs/dbraw/zinc/67/00/87/363670087.db2.gz IYNBBQZUDFYEOH-CYBMUJFWSA-N 0 0 300.362 2.052 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2ccc(F)c(C(=O)OC)c2C)C1=O ZINC000600946030 359868261 /nfs/dbraw/zinc/86/82/61/359868261.db2.gz CCTSTXAZNOXRJU-LLVKDONJSA-N 0 0 320.320 2.312 10 30 DEEERN CC[C@@]1(C)CN(C(=O)[C@@H](C)Oc2ccccc2C#N)CCO1 ZINC000188655195 200282219 /nfs/dbraw/zinc/28/22/19/200282219.db2.gz YGKHMPWNYZJODY-DYVFJYSZSA-N 0 0 302.374 2.353 10 30 DEEERN C=CCNC(=O)[C@@H](C)SCc1c(Br)cnn1C ZINC000601064649 359909306 /nfs/dbraw/zinc/90/93/06/359909306.db2.gz UXDADAMQALPJNC-MRVPVSSYSA-N 0 0 318.240 2.107 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2nc(C3CC3)cs2)C1 ZINC000627732809 366603260 /nfs/dbraw/zinc/60/32/60/366603260.db2.gz DDWOUPDGZCKYMF-JTQLQIEISA-N 0 0 305.403 2.384 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)N2CCc3cc(F)ccc32)C1 ZINC000627733180 366603495 /nfs/dbraw/zinc/60/34/95/366603495.db2.gz NEHUHEKKJWVWPE-GFCCVEGCSA-N 0 0 302.349 2.139 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(NC(C)=O)c2)C1 ZINC000627735965 366604823 /nfs/dbraw/zinc/60/48/23/366604823.db2.gz IHFPDIXMIUAAKL-CYBMUJFWSA-N 0 0 315.373 2.008 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2F)C1 ZINC000627735204 366605019 /nfs/dbraw/zinc/60/50/19/366605019.db2.gz NIPVAQOFUFFBJQ-SECBINFHSA-N 0 0 312.291 2.467 10 30 DEEERN C=CCCC(C)(C)CNS(=O)(=O)c1c[nH]c(C(=O)OC)c1 ZINC000601498138 360054592 /nfs/dbraw/zinc/05/45/92/360054592.db2.gz QUAPWIOEILJQBX-UHFFFAOYSA-N 0 0 314.407 2.072 10 30 DEEERN C=C1CC(C)(C(=O)N2CCC(COC)(C(=O)OCC)CC2)C1 ZINC000601542690 360067984 /nfs/dbraw/zinc/06/79/84/360067984.db2.gz POHRDIORJBLBRL-UHFFFAOYSA-N 0 0 309.406 2.161 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCc1ccc(OC)cc1)C(=O)OC ZINC000601771557 360140335 /nfs/dbraw/zinc/14/03/35/360140335.db2.gz IKDHDRATLDXBTM-OAHLLOKOSA-N 0 0 305.374 2.252 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)OC ZINC000601770748 360140341 /nfs/dbraw/zinc/14/03/41/360140341.db2.gz DOMRXBWFSRECTL-LBPRGKRZSA-N 0 0 306.318 2.141 10 30 DEEERN C=C(C)C[C@H](NC(=O)COc1cccc(CC)c1)C(=O)OC ZINC000601770349 360140552 /nfs/dbraw/zinc/14/05/52/360140552.db2.gz CNCPEUAFTDEMJZ-HNNXBMFYSA-N 0 0 305.374 2.252 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCc1cccc(OC)c1)C(=O)OC ZINC000601777274 360143592 /nfs/dbraw/zinc/14/35/92/360143592.db2.gz HAPPHBMDCPZYLX-OAHLLOKOSA-N 0 0 305.374 2.252 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(C)nc2onc(C)c21)C(=O)OC ZINC000601780401 360144379 /nfs/dbraw/zinc/14/43/79/360144379.db2.gz XQXGGVPTHQCOQF-GFCCVEGCSA-N 0 0 317.345 2.077 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccnn1C1CCCC1)C(=O)OC ZINC000601781006 360146080 /nfs/dbraw/zinc/14/60/80/360146080.db2.gz GQRCNISKDLYEMJ-ZDUSSCGKSA-N 0 0 305.378 2.236 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cccc(C(F)(F)F)n1)C(=O)OC ZINC000601782962 360146890 /nfs/dbraw/zinc/14/68/90/360146890.db2.gz SJQYEHJQBHQXRI-JTQLQIEISA-N 0 0 316.279 2.338 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H]1CSc2ccccc21)C(=O)OC ZINC000601782727 360146906 /nfs/dbraw/zinc/14/69/06/360146906.db2.gz RRZJFFHIXUPYQT-STQMWFEESA-N 0 0 305.399 2.500 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(Br)co1)C(=O)OC ZINC000601784585 360147570 /nfs/dbraw/zinc/14/75/70/360147570.db2.gz KTMJLHLWJTWVRC-VIFPVBQESA-N 0 0 316.151 2.280 10 30 DEEERN C=C(C)C[C@H](NC(=O)C[C@@H](C)n1ccnc1CC)C(=O)OC ZINC000601785034 360148627 /nfs/dbraw/zinc/14/86/27/360148627.db2.gz OVEWXNGBWPRJQX-OLZOCXBDSA-N 0 0 307.394 2.021 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](OC)c1ccc(F)cc1)C(=O)OC ZINC000601784908 360148711 /nfs/dbraw/zinc/14/87/11/360148711.db2.gz OEMAMYXYADZHRH-KBPBESRZSA-N 0 0 309.337 2.137 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cccc([C@@H]2CCOC2)c1)C(=O)OC ZINC000601788212 360150544 /nfs/dbraw/zinc/15/05/44/360150544.db2.gz SHTSYTVSWOUQNU-HZPDHXFCSA-N 0 0 317.385 2.428 10 30 DEEERN C=C1CC(C)(C(=O)N2C[C@@H]3COC[C@]3(C(=O)OC(C)(C)C)C2)C1 ZINC000601667684 360106002 /nfs/dbraw/zinc/10/60/02/360106002.db2.gz XFGOBJMYBODEHA-FZKQIMNGSA-N 0 0 321.417 2.159 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1oc(CC(C)C)nc1C)C(=O)OC ZINC000601788711 360151248 /nfs/dbraw/zinc/15/12/48/360151248.db2.gz XDTGTPXWBFKQQG-GFCCVEGCSA-N 0 0 308.378 2.419 10 30 DEEERN C=C(C)C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)C(=O)OC ZINC000602416834 360363333 /nfs/dbraw/zinc/36/33/33/360363333.db2.gz YAZCFDNKEYVPEF-QNMSZWNNSA-N 0 0 307.390 2.006 10 30 DEEERN CC#CC[C@H](CO)NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000627977459 366682687 /nfs/dbraw/zinc/68/26/87/366682687.db2.gz PSADTDMWVVWTJY-YONQAEKCSA-N 0 0 303.789 2.116 10 30 DEEERN C=CCCOCC(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 ZINC000603157361 360727711 /nfs/dbraw/zinc/72/77/11/360727711.db2.gz PCPWTLQZBVGXBX-KRWDZBQOSA-N 0 0 313.401 2.188 10 30 DEEERN N#C[C@@H](NC(=O)CN1CCCCCCC1=O)c1ccc(F)cc1 ZINC000604130445 360886597 /nfs/dbraw/zinc/88/65/97/360886597.db2.gz QCVMDBMABUUUSU-OAHLLOKOSA-N 0 0 317.364 2.299 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)NC(=O)CC ZINC000604486906 360911088 /nfs/dbraw/zinc/91/10/88/360911088.db2.gz PONWNUCPEQGMGH-LBPRGKRZSA-N 0 0 319.361 2.024 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)[C@@H](O)C1CCOCC1 ZINC000605425769 360968960 /nfs/dbraw/zinc/96/89/60/360968960.db2.gz UZMIXYAGDOOCJS-INIZCTEOSA-N 0 0 307.365 2.128 10 30 DEEERN CCNC(=S)N/N=C/c1c(C)nn(-c2ccccc2)c1C ZINC000006296119 181327089 /nfs/dbraw/zinc/32/70/89/181327089.db2.gz XYFDKAZMRAQOPB-LICLKQGHSA-N 0 0 301.419 2.307 10 30 DEEERN N#Cc1ccc(CNC(=O)N2CCC(CCO)CC2)c(F)c1 ZINC000609293415 361297306 /nfs/dbraw/zinc/29/73/06/361297306.db2.gz HFNARXCUCPQBTQ-UHFFFAOYSA-N 0 0 305.353 2.001 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C2CCC2)CC1 ZINC000609594555 361324519 /nfs/dbraw/zinc/32/45/19/361324519.db2.gz LOMDDZRGSIWPTP-AWEZNQCLSA-N 0 0 313.401 2.022 10 30 DEEERN CC(=O)NC[C@H]1CCCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000609892184 361347332 /nfs/dbraw/zinc/34/73/32/361347332.db2.gz PGRRJOISMWBCER-CQSZACIVSA-N 0 0 308.385 2.459 10 30 DEEERN CCc1cc(NC(=O)NCc2ccc(C#N)cc2F)n(C)n1 ZINC000609714375 361335976 /nfs/dbraw/zinc/33/59/76/361335976.db2.gz SCQFGBBFLJLODZ-UHFFFAOYSA-N 0 0 301.325 2.315 10 30 DEEERN C[C@@H](O)C[C@@H](CNC(=O)c1ccnc(C#N)c1)c1ccccc1 ZINC000193526778 201069031 /nfs/dbraw/zinc/06/90/31/201069031.db2.gz CGYDHHMXLQJDMH-CJNGLKHVSA-N 0 0 309.369 2.238 10 30 DEEERN C[C@H]1CN(C(=O)c2sccc2C#N)C[C@@H](C(F)(F)F)O1 ZINC000610399170 361392733 /nfs/dbraw/zinc/39/27/33/361392733.db2.gz VXBYIRDRGARVSM-CBAPKCEASA-N 0 0 304.293 2.412 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1csc(S(C)(=O)=O)c1 ZINC000628315009 366806480 /nfs/dbraw/zinc/80/64/80/366806480.db2.gz VUOZSVLXEDLSBJ-UHFFFAOYSA-N 0 0 301.433 2.484 10 30 DEEERN Cc1cc(F)cc2c1ncc(C#N)c2N1CCN(C2CC2)C(=O)C1 ZINC000610489394 361407563 /nfs/dbraw/zinc/40/75/63/361407563.db2.gz USVFPFIRNIWOFS-UHFFFAOYSA-N 0 0 324.359 2.365 10 30 DEEERN C=CCOCCNC(=O)Cn1c(CSC)nc2ccccc21 ZINC000611544948 361626756 /nfs/dbraw/zinc/62/67/56/361626756.db2.gz DJHCTOFKZHSCKL-UHFFFAOYSA-N 0 0 319.430 2.218 10 30 DEEERN C=CCOCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611618592 361646688 /nfs/dbraw/zinc/64/66/88/361646688.db2.gz AWFGLUDXSOIQHT-UHFFFAOYSA-N 0 0 316.260 2.129 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](COC)c1ccc(Cl)cc1 ZINC000194643106 201266917 /nfs/dbraw/zinc/26/69/17/201266917.db2.gz HIJUHLHMADXRAX-KBPBESRZSA-N 0 0 312.797 2.264 10 30 DEEERN COC[C@@](C)(NCCOc1ccc(C#N)cc1)C(F)(F)F ZINC000611717842 361666696 /nfs/dbraw/zinc/66/66/96/361666696.db2.gz AMMREURWBRKUNM-CYBMUJFWSA-N 0 0 302.296 2.494 10 30 DEEERN Cc1ncn(Cc2cc(C#N)ccc2F)c(=O)c1Br ZINC000090766808 192931028 /nfs/dbraw/zinc/93/10/28/192931028.db2.gz AAUQZRVKEADBPC-UHFFFAOYSA-N 0 0 322.137 2.373 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1cc(F)ccc1F ZINC000611843419 361694339 /nfs/dbraw/zinc/69/43/39/361694339.db2.gz AJSYPWFIXFUTKD-HNNXBMFYSA-N 0 0 310.344 2.094 10 30 DEEERN CO[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000611958380 361712631 /nfs/dbraw/zinc/71/26/31/361712631.db2.gz RLIPZFLIXBKCCY-GUYCJALGSA-N 0 0 324.421 2.276 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc(C)cn1 ZINC000612021202 361725675 /nfs/dbraw/zinc/72/56/75/361725675.db2.gz HPMFWFDRBAIDOU-GOEBONIOSA-N 0 0 315.417 2.257 10 30 DEEERN C[C@H](C(=O)N[C@@H](c1ccccc1)C(F)(F)F)n1cnc(C#N)n1 ZINC000619587170 363835387 /nfs/dbraw/zinc/83/53/87/363835387.db2.gz AOQGJFVVDGEIMO-SKDRFNHKSA-N 0 0 323.278 2.131 10 30 DEEERN C=CCCn1cc(C(=O)N2CC3(CCCC3)OC[C@@H]2C)nn1 ZINC000619932164 363912749 /nfs/dbraw/zinc/91/27/49/363912749.db2.gz HPLOUDBYVCWQHO-ZDUSSCGKSA-N 0 0 304.394 2.028 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C(=O)NC(C)C ZINC000620306499 364014168 /nfs/dbraw/zinc/01/41/68/364014168.db2.gz IKJZOEOZAQHXBU-ZNMIVQPWSA-N 0 0 305.422 2.278 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000620314384 364014183 /nfs/dbraw/zinc/01/41/83/364014183.db2.gz CRQQTIJZYZMRSN-WRWGMCAJSA-N 0 0 316.323 2.153 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](NC(N)=O)c1ccccc1 ZINC000620314035 364014336 /nfs/dbraw/zinc/01/43/36/364014336.db2.gz PNPYUIRXHHCBAX-OWCLPIDISA-N 0 0 313.401 2.496 10 30 DEEERN CC(=O)c1cccc(O[C@H](C)C(=O)N2CC[C@@](C)(C#N)C2)c1 ZINC000620302015 364012864 /nfs/dbraw/zinc/01/28/64/364012864.db2.gz ZZWGDQNAFJGFKG-DYVFJYSZSA-N 0 0 300.358 2.419 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC[C@H]3COC[C@@H]3C2)cc1OC ZINC000620151457 363975764 /nfs/dbraw/zinc/97/57/64/363975764.db2.gz HBCCIYJHONFUIX-GJZGRUSLSA-N 0 0 317.385 2.369 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCC1(O)CCC(F)(F)CC1 ZINC000620321381 364016547 /nfs/dbraw/zinc/01/65/47/364016547.db2.gz YEXCUQKSJNSNQM-ZDUSSCGKSA-N 0 0 305.365 2.272 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000628484230 366863846 /nfs/dbraw/zinc/86/38/46/366863846.db2.gz HOOWTYHCOIRNDF-LBPRGKRZSA-N 0 0 308.403 2.096 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CCNC(=O)Cc2ccccc2)C1 ZINC000628484100 366864183 /nfs/dbraw/zinc/86/41/83/366864183.db2.gz DNYXMEIAVROGIX-MRXNPFEDSA-N 0 0 300.402 2.160 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CNC(=O)c2cc(F)cc(F)c2)C1 ZINC000628491099 366865111 /nfs/dbraw/zinc/86/51/11/366865111.db2.gz OYTDJHKLUNAZBP-LLVKDONJSA-N 0 0 308.328 2.119 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CCn2cc(Br)cn2)C1 ZINC000628487140 366865511 /nfs/dbraw/zinc/86/55/11/366865511.db2.gz YLJPETIQOJQXCB-NSHDSACASA-N 0 0 312.211 2.460 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c(C)nc(C)[nH]c1=O ZINC000622179836 364691758 /nfs/dbraw/zinc/69/17/58/364691758.db2.gz PWAJBPMWDXXALN-OKILXGFUSA-N 0 0 301.390 2.441 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCOc2ccccc2[C@@H]1C ZINC000622988446 364848433 /nfs/dbraw/zinc/84/84/33/364848433.db2.gz GSWUTNFDPSMEBM-XJKSGUPXSA-N 0 0 316.401 2.440 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000622919847 364832860 /nfs/dbraw/zinc/83/28/60/364832860.db2.gz FWRARAJFZGXDLQ-ZDUSSCGKSA-N 0 0 302.374 2.430 10 30 DEEERN C=C(C)COCCNC(=O)NC[C@]1(C)COc2ccccc2O1 ZINC000623768277 365168476 /nfs/dbraw/zinc/16/84/76/365168476.db2.gz QJQAQNUPPNLIOM-QGZVFWFLSA-N 0 0 320.389 2.108 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)C1 ZINC000623771898 365169109 /nfs/dbraw/zinc/16/91/09/365169109.db2.gz JBLWOHBWKGWDFB-IKGGRYGDSA-N 0 0 321.465 2.237 10 30 DEEERN CC(C)N(CCC#N)S(=O)(=O)c1c[nH]c2cc(N)ccc21 ZINC000091502643 193065412 /nfs/dbraw/zinc/06/54/12/193065412.db2.gz NZZLHWFGNRCZKO-UHFFFAOYSA-N 0 0 306.391 2.063 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000624462804 365430159 /nfs/dbraw/zinc/43/01/59/365430159.db2.gz FNSCNETVVPMOGJ-CABCVRRESA-N 0 0 309.454 2.093 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000624463931 365430248 /nfs/dbraw/zinc/43/02/48/365430248.db2.gz FPGBKNGHJJAFBY-UHFFFAOYSA-N 0 0 315.417 2.374 10 30 DEEERN C=CC(C)(C)CCNC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000624466101 365431116 /nfs/dbraw/zinc/43/11/16/365431116.db2.gz IHCKEHLXRITKMG-NEPJUHHUSA-N 0 0 304.456 2.052 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCC1(O)Cc2ccccc2C1 ZINC000624465664 365431281 /nfs/dbraw/zinc/43/12/81/365431281.db2.gz ZJLIVQQHKBPLGF-UHFFFAOYSA-N 0 0 302.418 2.418 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCN(CC(F)(F)F)CC1 ZINC000624468484 365431490 /nfs/dbraw/zinc/43/14/90/365431490.db2.gz OFAUFJSIXQYIIL-UHFFFAOYSA-N 0 0 307.360 2.478 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000624465512 365431950 /nfs/dbraw/zinc/43/19/50/365431950.db2.gz SUUGPEJHCKVELD-STQMWFEESA-N 0 0 316.467 2.244 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)c1cn2c(n1)COCC2 ZINC000624505406 365449583 /nfs/dbraw/zinc/44/95/83/365449583.db2.gz JJLJLXAKJZUZAE-UHFFFAOYSA-N 0 0 315.348 2.381 10 30 DEEERN COC[C@@H](C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092035408 193144599 /nfs/dbraw/zinc/14/45/99/193144599.db2.gz CNTIQHBUDXHOKX-LRVUVFPRSA-N 0 0 317.389 2.042 10 30 DEEERN C=CCc1cc(CNC(=O)[C@H](O)C2CCC2)cc(OC)c1OC ZINC000449821136 241123025 /nfs/dbraw/zinc/12/30/25/241123025.db2.gz OLWPIBGIQRGBPU-MRXNPFEDSA-N 0 0 319.401 2.210 10 30 DEEERN C=CCc1cc(CNC(=O)[C@@H](O)C2CCC2)cc(OC)c1OC ZINC000449821135 241123926 /nfs/dbraw/zinc/12/39/26/241123926.db2.gz OLWPIBGIQRGBPU-INIZCTEOSA-N 0 0 319.401 2.210 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1CC2(C1)CCCO2 ZINC000628790146 366971286 /nfs/dbraw/zinc/97/12/86/366971286.db2.gz JYXKVGOZZUXKJF-UHFFFAOYSA-N 0 0 303.358 2.265 10 30 DEEERN C=C(C)[C@@H](CC(=O)NC[C@@H]1c2ccccc2C(=O)N1C)OCC ZINC000628955370 367025991 /nfs/dbraw/zinc/02/59/91/367025991.db2.gz JKHOOOMFSACULZ-HZPDHXFCSA-N 0 0 316.401 2.301 10 30 DEEERN C=CCC[C@H]1NC(=O)N([C@H]2COc3cccc(C)c3C2)C1=O ZINC000629480586 367215305 /nfs/dbraw/zinc/21/53/05/367215305.db2.gz UMCBYAYMBGOJKN-TZMCWYRMSA-N 0 0 300.358 2.185 10 30 DEEERN C=C[C@@](C)(O)CC(=O)Nc1ccc2c(c1)[C@H](C)CC(=O)N2C ZINC000629515847 367231320 /nfs/dbraw/zinc/23/13/20/367231320.db2.gz VNLYFOLTQIENFO-PIGZYNQJSA-N 0 0 302.374 2.422 10 30 DEEERN C=C(C)[C@H](CC(=O)NC1(c2cc(C)no2)CCOCC1)OCC ZINC000629726094 367315267 /nfs/dbraw/zinc/31/52/67/367315267.db2.gz BIEKGFUUNRTKIK-AWEZNQCLSA-N 0 0 322.405 2.476 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2ccc3nnc(C(C)C)n3c2)C1=O ZINC000630518268 367702019 /nfs/dbraw/zinc/70/20/19/367702019.db2.gz DKHDLXONEIZZQM-LBPRGKRZSA-N 0 0 313.361 2.244 10 30 DEEERN Cc1cc(C#N)nc(N2CCC(OCCOC(C)C)CC2)n1 ZINC000450908455 242381277 /nfs/dbraw/zinc/38/12/77/242381277.db2.gz RUZWBJRGDNTELF-UHFFFAOYSA-N 0 0 304.394 2.067 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cccc(N(C)C(C)=O)c2)C1=O ZINC000630506076 367694641 /nfs/dbraw/zinc/69/46/41/367694641.db2.gz LWPLWRFIZVUBFR-CQSZACIVSA-N 0 0 301.346 2.060 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)n1cc(CCn2cncn2)nn1 ZINC000630592693 367745940 /nfs/dbraw/zinc/74/59/40/367745940.db2.gz WNPFPEYFHYENAH-KRWDZBQOSA-N 0 0 308.389 2.472 10 30 DEEERN N#CCc1ccc(S(=O)(=O)Nc2cc(N)ccc2F)cc1 ZINC000092130545 193166079 /nfs/dbraw/zinc/16/60/79/193166079.db2.gz AVQGYZMICMRSMD-UHFFFAOYSA-N 0 0 305.334 2.275 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCc2ccc(NC(C)=O)cc2)C1=O ZINC000630970081 367942937 /nfs/dbraw/zinc/94/29/37/367942937.db2.gz KRZDBDYIBAQNDO-HNNXBMFYSA-N 0 0 315.373 2.074 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCOCc2ccc(OC)cc2)C1=O ZINC000630973400 367945564 /nfs/dbraw/zinc/94/55/64/367945564.db2.gz ZVXBJFRJOVOORT-OAHLLOKOSA-N 0 0 318.373 2.098 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H](C)Oc2cccc(F)c2)C1=O ZINC000630978430 367947863 /nfs/dbraw/zinc/94/78/63/367947863.db2.gz ZWBWSKYCWDQGBW-FZMZJTMJSA-N 0 0 306.337 2.480 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2CCN(c3ccccc3F)C2)C1=O ZINC000630985564 367950596 /nfs/dbraw/zinc/95/05/96/367950596.db2.gz XEOIVQNZIFPIAH-OCCSQVGLSA-N 0 0 317.364 2.291 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2cccc3c2CCOC3)C1=O ZINC000630995177 367958276 /nfs/dbraw/zinc/95/82/76/367958276.db2.gz ZWGSBFJRRFZLJF-HNNXBMFYSA-N 0 0 300.358 2.146 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H](C)c2ccc3[nH]c(=O)oc3c2)C1=O ZINC000630996955 367959639 /nfs/dbraw/zinc/95/96/39/367959639.db2.gz YHADIAPSKRKSOZ-JOYOIKCWSA-N 0 0 315.329 2.481 10 30 DEEERN C=CCc1cc(OC)ccc1OC[C@H](O)CC1(O)CCOCC1 ZINC000631001371 367960889 /nfs/dbraw/zinc/96/08/89/367960889.db2.gz KPQQWFJMDSULRT-OAHLLOKOSA-N 0 0 322.401 2.095 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2c1cc(C)cc(F)c1S(N)(=O)=O ZINC000631372265 368184328 /nfs/dbraw/zinc/18/43/28/368184328.db2.gz LJXFPKMCMNTYOL-TXEJJXNPSA-N 0 0 310.394 2.469 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1nc2ccc(O)cc2s1 ZINC000631435593 368221730 /nfs/dbraw/zinc/22/17/30/368221730.db2.gz ABYNURSVWSVWMN-CABZTGNLSA-N 0 0 304.371 2.323 10 30 DEEERN C=C1CC(C)(C(=O)N(C)Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000631446442 368228875 /nfs/dbraw/zinc/22/88/75/368228875.db2.gz YNQPYBNCGRGZIV-UHFFFAOYSA-N 0 0 307.415 2.405 10 30 DEEERN CC(=O)c1cccc(NC(=O)N2C[C@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000631467718 368239597 /nfs/dbraw/zinc/23/95/97/368239597.db2.gz AQYBHBMRNOZGLR-STQMWFEESA-N 0 0 314.389 2.339 10 30 DEEERN COC[C@@]1(C)CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000452367623 244210397 /nfs/dbraw/zinc/21/03/97/244210397.db2.gz ZWIPHRROFMSRQV-IRXDYDNUSA-N 0 0 324.421 2.133 10 30 DEEERN COC[C@]1(C)CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000452367626 244211239 /nfs/dbraw/zinc/21/12/39/244211239.db2.gz ZWIPHRROFMSRQV-SJORKVTESA-N 0 0 324.421 2.133 10 30 DEEERN Cn1ncc(C#N)c1NC(=O)c1cc(F)cc(Br)c1 ZINC000093334893 193233168 /nfs/dbraw/zinc/23/31/68/193233168.db2.gz ZQLBYPJLWSNCAD-UHFFFAOYSA-N 0 0 323.125 2.446 10 30 DEEERN CCN[C@]1(C#N)CCC[C@@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093747300 193299691 /nfs/dbraw/zinc/29/96/91/193299691.db2.gz UJNBFSXYPPNVNN-QMTHXVAHSA-N 0 0 302.407 2.259 10 30 DEEERN CC(C)N[C@]1(C#N)CC[C@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093806737 193308943 /nfs/dbraw/zinc/30/89/43/193308943.db2.gz JHNNQFFPUZDIOE-IINYFYTJSA-N 0 0 302.407 2.258 10 30 DEEERN Cc1cc(N)cc(C)c1S(=O)(=O)N(CCC#N)CC(C)C ZINC000093648482 193283362 /nfs/dbraw/zinc/28/33/62/193283362.db2.gz RXZMKSWAEOCTJN-UHFFFAOYSA-N 0 0 309.435 2.446 10 30 DEEERN Cc1nc2cc(N3CCO[C@H](C#N)C3)c([N+](=O)[O-])cc2s1 ZINC000093933089 193329207 /nfs/dbraw/zinc/32/92/07/193329207.db2.gz OOZGMRZRKRVRMV-SECBINFHSA-N 0 0 304.331 2.242 10 30 DEEERN COCc1cccc(NC(=O)c2csc(C#CCO)c2)c1 ZINC000093974466 193332845 /nfs/dbraw/zinc/33/28/45/193332845.db2.gz ORBMMYFVABUKAH-UHFFFAOYSA-N 0 0 301.367 2.491 10 30 DEEERN C[C@H]1CN(C(=O)c2csc(C#CCCO)c2)CC(C)(C)O1 ZINC000093974839 193332962 /nfs/dbraw/zinc/33/29/62/193332962.db2.gz GAXBPEQBMVMNSC-LBPRGKRZSA-N 0 0 307.415 2.122 10 30 DEEERN COc1ccc(C(=O)N2CCC(C#N)(SC)CC2)cc1O ZINC000094066374 193342947 /nfs/dbraw/zinc/34/29/47/193342947.db2.gz RAJBNLFEEWTOIO-UHFFFAOYSA-N 0 0 306.387 2.262 10 30 DEEERN Cc1cc(C(=O)N(C)Cc2cscn2)sc1C#CCO ZINC000094534919 193377522 /nfs/dbraw/zinc/37/75/22/193377522.db2.gz IKGJPXLZCIKIAR-UHFFFAOYSA-N 0 0 306.412 2.129 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(OC)c(C#N)c1 ZINC000248822003 284215462 /nfs/dbraw/zinc/21/54/62/284215462.db2.gz JLQSNXAFPICTGY-KMFMINBZSA-N 0 0 314.385 2.340 10 30 DEEERN COc1cccc(CC(=O)NCC#Cc2ccccc2OC)c1 ZINC000096345846 193614676 /nfs/dbraw/zinc/61/46/76/193614676.db2.gz QVLVAPZKOBVUCH-UHFFFAOYSA-N 0 0 309.365 2.414 10 30 DEEERN CNC(=O)c1ccccc1C#CCNC(=O)c1cccc(C)c1 ZINC000096348571 193614729 /nfs/dbraw/zinc/61/47/29/193614729.db2.gz DJDGCOHTOKFUJT-UHFFFAOYSA-N 0 0 306.365 2.136 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NCC1=CCOCC1 ZINC000453836645 245318187 /nfs/dbraw/zinc/31/81/87/245318187.db2.gz RDIDWGSMLWGBBH-UHFFFAOYSA-N 0 0 314.385 2.207 10 30 DEEERN C=CCNS(=O)(=O)c1ccc(C(=O)NC(C)(CC)CC)cc1 ZINC000264928012 204276256 /nfs/dbraw/zinc/27/62/56/204276256.db2.gz RMWNDGSJBMIVRO-UHFFFAOYSA-N 0 0 324.446 2.459 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N1CCC([C@@H](C)O)CC1 ZINC000266412207 205328061 /nfs/dbraw/zinc/32/80/61/205328061.db2.gz PCFLDWMEPVPARN-GFCCVEGCSA-N 0 0 320.364 2.462 10 30 DEEERN Cc1ncsc1CNC(=O)c1cc(C)ccc1C#CCO ZINC000161635101 197509335 /nfs/dbraw/zinc/50/93/35/197509335.db2.gz FBRQYNSEJRGOSS-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN Cc1c(NCc2ccc(C#N)s2)cccc1S(N)(=O)=O ZINC000161120191 197466476 /nfs/dbraw/zinc/46/64/76/197466476.db2.gz PJIWZLMBMUDRLT-UHFFFAOYSA-N 0 0 307.400 2.188 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc(N2CCOCC2)cn1 ZINC000160496163 197415642 /nfs/dbraw/zinc/41/56/42/197415642.db2.gz BYLYFSAUQKOTMK-UHFFFAOYSA-N 0 0 322.368 2.351 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCCC1CCOCC1 ZINC000454911464 246252687 /nfs/dbraw/zinc/25/26/87/246252687.db2.gz YAWGSVJORBFQPD-CVEARBPZSA-N 0 0 310.438 2.474 10 30 DEEERN N#Cc1cc2c(N)c(C(=O)NCc3ccccc3)sc2nc1N ZINC000028617108 182531408 /nfs/dbraw/zinc/53/14/08/182531408.db2.gz ITYURPDCNJJQSX-UHFFFAOYSA-N 0 0 323.381 2.262 10 30 DEEERN CC[C@H](NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)[C@@H](C)O ZINC000456221462 247026335 /nfs/dbraw/zinc/02/63/35/247026335.db2.gz NZILJCQKBBQOMD-INWMFGNUSA-N 0 0 304.390 2.237 10 30 DEEERN C=CCC[C@@H](NC(=O)[C@@H](OC)c1ccc(O)cc1)C(=O)OCC ZINC000456600054 247301249 /nfs/dbraw/zinc/30/12/49/247301249.db2.gz DFGQSDNBQKGDGE-CABCVRRESA-N 0 0 321.373 2.094 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1c(C)nc2c(c(=O)[nH]n2C)c1C ZINC000274375360 211557579 /nfs/dbraw/zinc/55/75/79/211557579.db2.gz SUWTXLTXUKXEGJ-JTQLQIEISA-N 0 0 316.405 2.097 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)N[C@H](C)Cc1cccc(OC)c1 ZINC000458397773 248290811 /nfs/dbraw/zinc/29/08/11/248290811.db2.gz XOTWWDBOHQDJAC-HIFRSBDPSA-N 0 0 306.406 2.253 10 30 DEEERN C=CCC1(NC(=O)NCCc2nnc3n2CCC3)CCCCC1 ZINC000458502300 248346820 /nfs/dbraw/zinc/34/68/20/248346820.db2.gz DOTIWQCJOVIBBK-UHFFFAOYSA-N 0 0 317.437 2.345 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000458609666 248399029 /nfs/dbraw/zinc/39/90/29/248399029.db2.gz CASPHCMJXNLYPN-NWDGAFQWSA-N 0 0 307.350 2.282 10 30 DEEERN CN(CC(C)(C)C#N)C(=O)NCc1ccnc(OC(F)F)c1 ZINC000458763500 248474195 /nfs/dbraw/zinc/47/41/95/248474195.db2.gz 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/nfs/dbraw/zinc/17/17/57/194171757.db2.gz PFYQTJXPWPPWER-ZDUSSCGKSA-N 0 0 314.227 2.109 10 30 DEEERN COc1ccc(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)cc1 ZINC000106464060 194218602 /nfs/dbraw/zinc/21/86/02/194218602.db2.gz JTDQBETVFHYVDI-UHFFFAOYSA-N 0 0 322.368 2.456 10 30 DEEERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H](C)CO1 ZINC000048666059 183675552 /nfs/dbraw/zinc/67/55/52/183675552.db2.gz VIQYYHWTFAEEQW-NXEZZACHSA-N 0 0 314.794 2.010 10 30 DEEERN Cc1cc(C#N)nc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1 ZINC000553190879 291735673 /nfs/dbraw/zinc/73/56/73/291735673.db2.gz NUJBFRDVPIXJSE-CYBMUJFWSA-N 0 0 314.311 2.186 10 30 DEEERN CC[C@H](C)[C@H](C)NS(=O)(=O)c1cccc(C#CCCO)c1 ZINC000049106144 183713429 /nfs/dbraw/zinc/71/34/29/183713429.db2.gz QUHSVWLLCGVWMT-KBPBESRZSA-N 0 0 309.431 2.133 10 30 DEEERN N#C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CC1 ZINC000108827558 194256537 /nfs/dbraw/zinc/25/65/37/194256537.db2.gz HKZMDKNPCKNUDO-SMDDNHRTSA-N 0 0 317.776 2.111 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(C)sc1Br ZINC000273574769 210883539 /nfs/dbraw/zinc/88/35/39/210883539.db2.gz LPUWXAUPUZJAFP-MRVPVSSYSA-N 0 0 304.209 2.486 10 30 DEEERN C=CC[C@H](CO)NC(=O)C1(c2ccccc2C)CCOCC1 ZINC000273554529 210866704 /nfs/dbraw/zinc/86/67/04/210866704.db2.gz GRGOJVBTUBOUNR-OAHLLOKOSA-N 0 0 303.402 2.096 10 30 DEEERN C#CCN[C@H](C(=O)OCC)c1ccc(OC)c(OC)c1Cl ZINC000110830666 194361715 /nfs/dbraw/zinc/36/17/15/194361715.db2.gz NFWLAFZICNSSNV-ZDUSSCGKSA-N 0 0 311.765 2.184 10 30 DEEERN CC(C)N[C@](C)(C#N)CCCCSCCS(C)(=O)=O ZINC000111006636 194381137 /nfs/dbraw/zinc/38/11/37/194381137.db2.gz WYGRJZPPAUXEIK-ZDUSSCGKSA-N 0 0 306.497 2.215 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000273266784 210640047 /nfs/dbraw/zinc/64/00/47/210640047.db2.gz JDTKNQKTKRFCMN-HNNXBMFYSA-N 0 0 306.381 2.385 10 30 DEEERN C[C@H]1Cc2ccccc2N1C(=O)C(=O)Nc1ccccc1C#N ZINC000059768245 184140883 /nfs/dbraw/zinc/14/08/83/184140883.db2.gz AKFWADQFIADCRC-LBPRGKRZSA-N 0 0 305.337 2.475 10 30 DEEERN C[C@@H](NS(=O)(=O)c1ccc(C#CCO)cc1)c1ccsc1 ZINC000061372070 184169558 /nfs/dbraw/zinc/16/95/58/184169558.db2.gz BNTHOJDHMFKIQX-GFCCVEGCSA-N 0 0 321.423 2.131 10 30 DEEERN O=C(Nc1ccc(Cl)c(F)c1)c1ccc(C#CCO)cn1 ZINC000061862372 184190035 /nfs/dbraw/zinc/19/00/35/184190035.db2.gz BPIZLKDXGVCAIV-UHFFFAOYSA-N 0 0 304.708 2.470 10 30 DEEERN N#CC1CCN(C(=O)/C=C/c2cc3ccccc3[nH]c2=O)CC1 ZINC000062525335 184241577 /nfs/dbraw/zinc/24/15/77/184241577.db2.gz AVBCEXOGUGTJRB-AATRIKPKSA-N 0 0 307.353 2.303 10 30 DEEERN Cc1cc(S(=O)(=O)N(C)[C@H](C)CC#N)cc([N+](=O)[O-])c1C ZINC000063095295 184270547 /nfs/dbraw/zinc/27/05/47/184270547.db2.gz UVHQEFDEJUZDCH-SNVBAGLBSA-N 0 0 311.363 2.134 10 30 DEEERN CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000377121177 285048440 /nfs/dbraw/zinc/04/84/40/285048440.db2.gz SZBHBLSESRAVMA-RRFJBIMHSA-N 0 0 313.467 2.225 10 30 DEEERN C=CCNC(=O)N[C@@H](CC)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000270153394 208213731 /nfs/dbraw/zinc/21/37/31/208213731.db2.gz 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/nfs/dbraw/zinc/20/44/60/197204460.db2.gz XPJCWQWVPCKIHU-HOTGVXAUSA-N 0 0 301.367 2.202 10 30 DEEERN N#C[C@]1([C@H](O)c2ccccc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000157643812 197204203 /nfs/dbraw/zinc/20/42/03/197204203.db2.gz XWBMDVKLSHMJOY-VXGBXAGGSA-N 0 0 319.304 2.067 10 30 DEEERN C#CCn1ncc(N[C@@H]2CCC[C@H]2C)c(Br)c1=O ZINC000157417636 197186411 /nfs/dbraw/zinc/18/64/11/197186411.db2.gz OEAWLSJHNUCHBL-NXEZZACHSA-N 0 0 310.195 2.240 10 30 DEEERN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H]1CCCO1 ZINC000156392395 197109576 /nfs/dbraw/zinc/10/95/76/197109576.db2.gz SUECFGAWJSSPOK-CABZTGNLSA-N 0 0 314.794 2.057 10 30 DEEERN Cc1cc(C(=O)NC[C@H]2CCCS2)sc1C#CCCO ZINC000155932031 197075858 /nfs/dbraw/zinc/07/58/58/197075858.db2.gz AJBSMEAXIYJVEH-GFCCVEGCSA-N 0 0 309.456 2.416 10 30 DEEERN CCN(CCc1nccs1)S(=O)(=O)c1cccc(C#N)c1 ZINC000155400373 197051498 /nfs/dbraw/zinc/05/14/98/197051498.db2.gz UKUNGGUOIJFKNJ-UHFFFAOYSA-N 0 0 321.427 2.268 10 30 DEEERN N#Cc1cccc(CC(=O)NC[C@@H](O)CCc2ccccc2)c1 ZINC000542454479 285225368 /nfs/dbraw/zinc/22/53/68/285225368.db2.gz AUOOOIOVQGDKMT-SFHVURJKSA-N 0 0 308.381 2.211 10 30 DEEERN COC(=O)CN(CC#N)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000120664989 195212011 /nfs/dbraw/zinc/21/20/11/195212011.db2.gz IPHIDKNMEPDEGE-UHFFFAOYSA-N 0 0 306.705 2.225 10 30 DEEERN C[C@H]1CN(C(=O)Cc2cccc(C#N)c2)c2ccccc2C(=O)N1 ZINC000544005840 285327876 /nfs/dbraw/zinc/32/78/76/285327876.db2.gz YEMJXZSMLVLRQM-ZDUSSCGKSA-N 0 0 319.364 2.266 10 30 DEEERN C=CCO[C@@H]1CN(C(=O)c2ccc(F)cc2)[C@H]2CCCO[C@@H]12 ZINC000253371634 257106026 /nfs/dbraw/zinc/10/60/26/257106026.db2.gz BVSLXGIQASGFAK-ARFHVFGLSA-N 0 0 305.349 2.400 10 30 DEEERN C=CCO[C@@H]1CCN(C(=O)[C@@H]2CCOC2)[C@@H]1Cc1ccccc1 ZINC000253374358 257106191 /nfs/dbraw/zinc/10/61/91/257106191.db2.gz MAXYAKLAGPEEOW-KZNAEPCWSA-N 0 0 315.413 2.438 10 30 DEEERN Cc1cc(NN)c(C(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000122006170 195389092 /nfs/dbraw/zinc/38/90/92/195389092.db2.gz AGWFPOWCFJTEEJ-UHFFFAOYSA-N 0 0 301.737 2.453 10 30 DEEERN Cn1nccc1CCC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000123097204 195543641 /nfs/dbraw/zinc/54/36/41/195543641.db2.gz XYNFJZBEIOUQRO-UHFFFAOYSA-N 0 0 320.299 2.464 10 30 DEEERN CS(=O)(=O)c1csc(C(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC000124410239 195639076 /nfs/dbraw/zinc/63/90/76/195639076.db2.gz GNVKQYMLWBAJLP-UHFFFAOYSA-N 0 0 324.358 2.415 10 30 DEEERN N#Cc1cnccc1NCc1ccc(OCC(F)(F)F)nc1 ZINC000545240113 285406704 /nfs/dbraw/zinc/40/67/04/285406704.db2.gz RQPLGHXDOJRGBV-UHFFFAOYSA-N 0 0 308.263 2.323 10 30 DEEERN COc1cc(/C=C/C(=O)c2ccnn2C)cc2c1OCCO2 ZINC000193053971 533470535 /nfs/dbraw/zinc/47/05/35/533470535.db2.gz MDUCYZFAKRNSTD-ONEGZZNKSA-N 0 0 300.314 2.096 10 30 DEEERN COC(=O)C[C@@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccccc1 ZINC000188235711 533612312 /nfs/dbraw/zinc/61/23/12/533612312.db2.gz FFIKMCOBLCPRCR-OAHLLOKOSA-N 0 0 324.336 2.298 10 30 DEEERN N#Cc1cccc(/C=C\c2nc(-c3ccc(C(N)=O)nc3)no2)c1 ZINC000546384916 285490314 /nfs/dbraw/zinc/49/03/14/285490314.db2.gz VQGJXMUACLCMNZ-DAXSKMNVSA-N 0 0 317.308 2.273 10 30 DEEERN C[C@@](O)(CNC(=O)CNc1ccc(C#N)cc1)C1CCCCC1 ZINC000360433347 133181937 /nfs/dbraw/zinc/18/19/37/133181937.db2.gz IVQZMVXVJUWTPN-GOSISDBHSA-N 0 0 315.417 2.418 10 30 DEEERN Cc1cc(CCNC(=O)[C@@H](C)n2cnc(C#N)n2)ccc1Cl ZINC000360616115 133193043 /nfs/dbraw/zinc/19/30/43/133193043.db2.gz DRKCHIBNCGLRTI-LLVKDONJSA-N 0 0 317.780 2.032 10 30 DEEERN Cc1nc(CN(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)no1 ZINC000376284019 133289721 /nfs/dbraw/zinc/28/97/21/133289721.db2.gz GGRLAEITXCSTJI-UHFFFAOYSA-N 0 0 322.372 2.282 10 30 DEEERN CN(c1ccccc1C#N)S(=O)(=O)c1cccc(F)c1N ZINC000128507585 195970431 /nfs/dbraw/zinc/97/04/31/195970431.db2.gz CUFNIWVFLKHJNG-UHFFFAOYSA-N 0 0 305.334 2.105 10 30 DEEERN Cc1nc([C@H](C)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)no1 ZINC000329860631 404474544 /nfs/dbraw/zinc/47/45/44/404474544.db2.gz XMWNXSYGGIVQGG-BFCNOCSMSA-N 0 0 323.356 2.434 10 30 DEEERN C#CCn1ccc(CN(CC)C(=O)[C@@H]2C[C@H]2c2cccnc2)n1 ZINC000364622252 404475215 /nfs/dbraw/zinc/47/52/15/404475215.db2.gz JXTOEZMGGBDVSA-DLBZAZTESA-N 0 0 308.385 2.064 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)Cc2ccc(F)cc2)cn1 ZINC000183653815 144932113 /nfs/dbraw/zinc/93/21/13/144932113.db2.gz JYQSWDHXSXVTHR-UHFFFAOYSA-N 0 0 321.315 2.459 10 30 DEEERN Cc1ncc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)s1 ZINC000183657993 144932644 /nfs/dbraw/zinc/93/26/44/144932644.db2.gz AQCJSQATIGSPEE-UHFFFAOYSA-N 0 0 310.342 2.156 10 30 DEEERN N#Cc1ccc(F)c(CNC(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)c1 ZINC000187582786 145000947 /nfs/dbraw/zinc/00/09/47/145000947.db2.gz MFOCYBQEELZCSM-BPLDGKMQSA-N 0 0 303.337 2.064 10 30 DEEERN CO[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC[C@@H]1C ZINC000187777574 145002977 /nfs/dbraw/zinc/00/29/77/145002977.db2.gz FHKGWQVYCXVYNN-WOSRLPQWSA-N 0 0 302.374 2.209 10 30 DEEERN CC(C)c1noc(CS(=O)(=O)Cc2ccc(C#N)c(F)c2)n1 ZINC000190901459 145050003 /nfs/dbraw/zinc/05/00/03/145050003.db2.gz YYXCFEOVEQJJCT-UHFFFAOYSA-N 0 0 323.349 2.319 10 30 DEEERN N#Cc1cc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)ccn1 ZINC000192545465 145075096 /nfs/dbraw/zinc/07/50/96/145075096.db2.gz AULRIHMSLFQGLD-MRXNPFEDSA-N 0 0 311.316 2.306 10 30 DEEERN COC(=O)c1ccc(CN(C)C(=O)c2ccnc(C#N)c2)cc1 ZINC000192619419 145076603 /nfs/dbraw/zinc/07/66/03/145076603.db2.gz NJFQFUJOTNHQDC-UHFFFAOYSA-N 0 0 309.325 2.012 10 30 DEEERN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccnc(C#N)c1 ZINC000192732193 145078264 /nfs/dbraw/zinc/07/82/64/145078264.db2.gz IQQPZDLSPWJBNY-UHFFFAOYSA-N 0 0 320.352 2.406 10 30 DEEERN Cc1ccc(NC(=O)c2ccnc(C#N)c2)cc1C(=O)N(C)C ZINC000193474235 145086122 /nfs/dbraw/zinc/08/61/22/145086122.db2.gz SOOCSVHCIFNRPL-UHFFFAOYSA-N 0 0 308.341 2.216 10 30 DEEERN CO[C@@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)CC[C@@H]1C ZINC000251938179 145197299 /nfs/dbraw/zinc/19/72/99/145197299.db2.gz ULAUSMIETBITKO-IACUBPJLSA-N 0 0 319.430 2.082 10 30 DEEERN Cc1ccc(Cl)cc1N(C)C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000359281434 147298284 /nfs/dbraw/zinc/29/82/84/147298284.db2.gz CRTZLNFUYUWDCI-JTQLQIEISA-N 0 0 303.753 2.336 10 30 DEEERN CCc1nsc(N2CCCN(c3ccncc3C#N)CC2)n1 ZINC000372272952 148187430 /nfs/dbraw/zinc/18/74/30/148187430.db2.gz KDYURHLVKWRVJJ-UHFFFAOYSA-N 0 0 314.418 2.084 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1CCO[C@]2(CCCOC2)C1 ZINC000408110361 148564403 /nfs/dbraw/zinc/56/44/03/148564403.db2.gz OROAGSQORHLTGA-QGZVFWFLSA-N 0 0 300.358 2.147 10 30 DEEERN Nc1ncnc(N=NCc2c(O)ccc3ccccc32)c1[N+](=O)[O-] ZINC000005446937 401729439 /nfs/dbraw/zinc/72/94/39/401729439.db2.gz DONNLSITUBUQQE-FBCYGCLPSA-N 0 0 324.300 2.272 10 30 DEEERN CC(=O)C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(C(C)C)cc1 ZINC000000081892 401687853 /nfs/dbraw/zinc/68/78/53/401687853.db2.gz HIPSZJQZCNLPFR-HNNXBMFYSA-N 0 0 303.358 2.087 10 30 DEEERN C=C[C@@H](CC(=O)N1CCS(=O)(=O)C(C)(C)C1)c1ccccc1 ZINC000126542164 401699163 /nfs/dbraw/zinc/69/91/63/401699163.db2.gz HXVKKHSYNSODPJ-AWEZNQCLSA-N 0 0 321.442 2.382 10 30 DEEERN N#Cc1cccc(CNC(=O)Nc2ccc3c(c2)OCC(=O)N3)c1 ZINC000126650092 401702759 /nfs/dbraw/zinc/70/27/59/401702759.db2.gz USJZXLGHKTWWDG-UHFFFAOYSA-N 0 0 322.324 2.211 10 30 DEEERN CC(=O)NC(C)(C)c1noc([C@H](C)Oc2ccccc2C#N)n1 ZINC000072549101 401710440 /nfs/dbraw/zinc/71/04/40/401710440.db2.gz UNDRHXZNWQHRMX-JTQLQIEISA-N 0 0 314.345 2.452 10 30 DEEERN COCCOCCN(Cc1ccccc1)c1cnc(C#N)cn1 ZINC000126951468 401714533 /nfs/dbraw/zinc/71/45/33/401714533.db2.gz ZUAQGCQSMTWJKO-UHFFFAOYSA-N 0 0 312.373 2.018 10 30 DEEERN C#CCCCCNC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000129583860 401805660 /nfs/dbraw/zinc/80/56/60/401805660.db2.gz ZPQGZJPTDGNEBK-UHFFFAOYSA-N 0 0 302.422 2.188 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC1(C)COC1 ZINC000112616653 401751551 /nfs/dbraw/zinc/75/15/51/401751551.db2.gz QVTULSUTPPLTMO-HNNXBMFYSA-N 0 0 302.374 2.114 10 30 DEEERN C[C@@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)S1 ZINC000128681268 401787673 /nfs/dbraw/zinc/78/76/73/401787673.db2.gz FQSVBUPRJDEZGX-CHWSQXEVSA-N 0 0 324.471 2.158 10 30 DEEERN CN1C(=O)C[C@H](C(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccnc1 ZINC000114113291 401792098 /nfs/dbraw/zinc/79/20/98/401792098.db2.gz IFKDAOVEWAOJIW-RDJZCZTQSA-N 0 0 320.352 2.111 10 30 DEEERN C=CCCCN(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000076487556 401796377 /nfs/dbraw/zinc/79/63/77/401796377.db2.gz SUBZMQWMVHGDNI-UHFFFAOYSA-N 0 0 315.333 2.214 10 30 DEEERN C#CCOCCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000130150554 401820381 /nfs/dbraw/zinc/82/03/81/401820381.db2.gz KLNVXZMYIPYSRL-CQSZACIVSA-N 0 0 301.342 2.119 10 30 DEEERN CN(C(=O)c1cccc(-n2cncn2)c1)c1cccc(C#N)c1 ZINC000115345712 401825081 /nfs/dbraw/zinc/82/50/81/401825081.db2.gz HMUFCBOCTRMMAO-UHFFFAOYSA-N 0 0 303.325 2.416 10 30 DEEERN C=CC[C@H](C)NC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000116855153 401862018 /nfs/dbraw/zinc/86/20/18/401862018.db2.gz YSKFDDPGDBQMCV-CMPLNLGQSA-N 0 0 308.328 2.399 10 30 DEEERN Cn1cc(C#N)cc1-c1nc(CC(=O)Nc2ccccc2)no1 ZINC000081533570 401896517 /nfs/dbraw/zinc/89/65/17/401896517.db2.gz IILAUSWUHHTDBN-UHFFFAOYSA-N 0 0 307.313 2.128 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)C1CCOCC1 ZINC000135916969 401955103 /nfs/dbraw/zinc/95/51/03/401955103.db2.gz BQEMPMSJYAJFTD-QWHCGFSZSA-N 0 0 302.374 2.257 10 30 DEEERN C[C@@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1 ZINC000136484413 401968495 /nfs/dbraw/zinc/96/84/95/401968495.db2.gz SONWVWXMXZSGNU-GHMZBOCLSA-N 0 0 303.337 2.283 10 30 DEEERN C=CCCS(=O)(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000119873043 401969526 /nfs/dbraw/zinc/96/95/26/401969526.db2.gz YNDLWTWBSOJEGW-UHFFFAOYSA-N 0 0 322.430 2.199 10 30 DEEERN CCCC[C@H](NC(=O)NCC)C(=O)NCc1ccc(C#N)cc1 ZINC000137308862 401981775 /nfs/dbraw/zinc/98/17/75/401981775.db2.gz ZGGCCXSERUIGPE-HNNXBMFYSA-N 0 0 316.405 2.052 10 30 DEEERN CC(C)OC(=O)CCCNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000120450286 401990256 /nfs/dbraw/zinc/99/02/56/401990256.db2.gz RZZVOWQGMOLBLK-CYBMUJFWSA-N 0 0 318.373 2.174 10 30 DEEERN NC(=S)N/N=C/c1cc(Br)ccc1OC(F)F ZINC000089286480 401941000 /nfs/dbraw/zinc/94/10/00/401941000.db2.gz RVKZNRKHQIRQBE-LNKIKWGQSA-N 0 0 324.150 2.218 10 30 DEEERN C=CCCCN(C)C(=O)CSCC(=O)Nc1cc(C)on1 ZINC000135655593 401949842 /nfs/dbraw/zinc/94/98/42/401949842.db2.gz CCWQTGBUZDOLAP-UHFFFAOYSA-N 0 0 311.407 2.079 10 30 DEEERN C=CCCS(=O)(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000121216167 402021053 /nfs/dbraw/zinc/02/10/53/402021053.db2.gz NDBOFWWRQSSFJE-UHFFFAOYSA-N 0 0 300.449 2.360 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000121250336 402023487 /nfs/dbraw/zinc/02/34/87/402023487.db2.gz ITWXGOLIOGLTPG-SECBINFHSA-N 0 0 301.268 2.397 10 30 DEEERN CC#CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC(C)C ZINC000121278567 402025210 /nfs/dbraw/zinc/02/52/10/402025210.db2.gz GLOFYHBSIAVGRC-KRWDZBQOSA-N 0 0 312.413 2.126 10 30 DEEERN N#Cc1nccn1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000152189150 402081342 /nfs/dbraw/zinc/08/13/42/402081342.db2.gz XZYLRVCGZCLFDE-UHFFFAOYSA-N 0 0 310.235 2.292 10 30 DEEERN N#Cc1ccc(OCCNC(=O)Cc2c[nH]c3ncccc23)cc1 ZINC000123553738 402134393 /nfs/dbraw/zinc/13/43/93/402134393.db2.gz APKVTLFIBZOGKN-UHFFFAOYSA-N 0 0 320.352 2.172 10 30 DEEERN CCc1nc(CNS(=O)(=O)Cc2cccc(C#N)c2)cs1 ZINC000108400743 402253239 /nfs/dbraw/zinc/25/32/39/402253239.db2.gz MFXXYQNPTKBFDY-UHFFFAOYSA-N 0 0 321.427 2.197 10 30 DEEERN C[C@@H]1Sc2ccc(C(=O)N[C@@H](C#N)C3CC3)cc2NC1=O ZINC000108833797 402262536 /nfs/dbraw/zinc/26/25/36/402262536.db2.gz ARUMCSHKGVQEFW-UFBFGSQYSA-N 0 0 301.371 2.151 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@@H](C#N)C2CC2)c(OC)c1 ZINC000108831701 402262552 /nfs/dbraw/zinc/26/25/52/402262552.db2.gz IWKYDTVASJBJKU-AWEZNQCLSA-N 0 0 300.358 2.221 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCN3CCCC[C@@H]3C2)s1 ZINC000126216787 402270111 /nfs/dbraw/zinc/27/01/11/402270111.db2.gz KWYPVCLSYKKQDW-GFCCVEGCSA-N 0 0 306.435 2.051 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@H](O)c1cc(OC)ccc1OC ZINC000184590066 402280160 /nfs/dbraw/zinc/28/01/60/402280160.db2.gz DNHAMWQAEMPOAT-WFASDCNBSA-N 0 0 307.390 2.456 10 30 DEEERN CC(C)n1nnnc1CSCCOc1ccccc1C#N ZINC000176900316 402347968 /nfs/dbraw/zinc/34/79/68/402347968.db2.gz XPODAWAVWQWRIZ-UHFFFAOYSA-N 0 0 303.391 2.438 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000185518863 402358412 /nfs/dbraw/zinc/35/84/12/402358412.db2.gz VDAPFHKOEIRNOU-XJKSGUPXSA-N 0 0 305.422 2.330 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(Br)c(C)n1 ZINC000185597132 402364120 /nfs/dbraw/zinc/36/41/20/402364120.db2.gz LKIRBSMSBKTLKH-SECBINFHSA-N 0 0 314.183 2.211 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC000185711928 402370720 /nfs/dbraw/zinc/37/07/20/402370720.db2.gz RMFVYERTIGXGHG-LLVKDONJSA-N 0 0 306.387 2.307 10 30 DEEERN COc1cc(N2CCN([C@@H](C)c3cccc(C#N)c3)CC2)ncn1 ZINC000185726747 402372094 /nfs/dbraw/zinc/37/20/94/402372094.db2.gz ZWCFESBPLWOFLD-AWEZNQCLSA-N 0 0 323.400 2.240 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000185912967 402388651 /nfs/dbraw/zinc/38/86/51/402388651.db2.gz KODOPJQUAUKQLO-PMPSAXMXSA-N 0 0 304.390 2.143 10 30 DEEERN COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C)CC[C@H]1C ZINC000185806016 402379120 /nfs/dbraw/zinc/37/91/20/402379120.db2.gz IKGYPZAGWZHPEX-NWDGAFQWSA-N 0 0 308.403 2.376 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1nc(-c2ccccc2)oc1C ZINC000185828184 402380769 /nfs/dbraw/zinc/38/07/69/402380769.db2.gz LSANYFOJDQDNHG-CQSZACIVSA-N 0 0 300.358 2.246 10 30 DEEERN C=CC[C@H](CO)NC(=O)CSc1nc2ccccc2s1 ZINC000185840722 402381840 /nfs/dbraw/zinc/38/18/40/402381840.db2.gz XMHFJJPRPGIGEN-SNVBAGLBSA-N 0 0 308.428 2.442 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000185860425 402383439 /nfs/dbraw/zinc/38/34/39/402383439.db2.gz LLBPBHZGJNTKSJ-AWEZNQCLSA-N 0 0 300.358 2.327 10 30 DEEERN C#CCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000185857857 402383633 /nfs/dbraw/zinc/38/36/33/402383633.db2.gz OFXQPLMEZMSUIN-OAHLLOKOSA-N 0 0 304.434 2.333 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N(C)c1ccc(N2CCOCC2)nc1 ZINC000186144422 402404949 /nfs/dbraw/zinc/40/49/49/402404949.db2.gz FTPYMRMTTRKPAJ-AWEZNQCLSA-N 0 0 303.406 2.483 10 30 DEEERN CC(C)OC(=O)[C@@H](C)N(C)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000162159646 402411260 /nfs/dbraw/zinc/41/12/60/402411260.db2.gz NMNMEPXKYDOKJY-OLZOCXBDSA-N 0 0 318.373 2.124 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000186653517 402451471 /nfs/dbraw/zinc/45/14/71/402451471.db2.gz UXABJYSLAMMQAN-SECBINFHSA-N 0 0 310.202 2.209 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CC[S@](=O)C(CC)(CC)C1 ZINC000186735043 402460916 /nfs/dbraw/zinc/46/09/16/402460916.db2.gz QLIBKEZSJVUPIW-XCLFUZPHSA-N 0 0 301.452 2.117 10 30 DEEERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1cccc(C#N)c1C)CC2 ZINC000178535908 402509229 /nfs/dbraw/zinc/50/92/29/402509229.db2.gz LXVBISSQXBSVFL-ZDUSSCGKSA-N 0 0 324.388 2.157 10 30 DEEERN C=CCn1c(S[C@@H]2CCNC2=O)nnc1-c1ccccc1C ZINC000179008314 402564217 /nfs/dbraw/zinc/56/42/17/402564217.db2.gz WHDXDTFGLDPYSG-CYBMUJFWSA-N 0 0 314.414 2.420 10 30 DEEERN C=CC[C@H](C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1)c1ccccc1 ZINC000189893525 402565359 /nfs/dbraw/zinc/56/53/59/402565359.db2.gz PJXRPWSMUYBAFV-JZXOWHBKSA-N 0 0 316.445 2.260 10 30 DEEERN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N1CCO[C@H](C#N)C1 ZINC000171575773 402596406 /nfs/dbraw/zinc/59/64/06/402596406.db2.gz QSFXSMXHRQLPNZ-NVXWUHKLSA-N 0 0 315.417 2.036 10 30 DEEERN Cc1nc(C(=O)Nc2c[nH]nc2-c2ccccn2)ccc1C#N ZINC000179653482 402597024 /nfs/dbraw/zinc/59/70/24/402597024.db2.gz RRFGWUIVFNJULF-UHFFFAOYSA-N 0 0 304.313 2.299 10 30 DEEERN N#Cc1ccccc1CSCCNC(=O)N[C@@H]1CCCOC1 ZINC000171592461 402598501 /nfs/dbraw/zinc/59/85/01/402598501.db2.gz JLNSCUZUDCQOLO-OAHLLOKOSA-N 0 0 319.430 2.270 10 30 DEEERN C[C@@](C#N)(NC(=O)CN1CCc2[nH]c3ccccc3c2C1)C1CC1 ZINC000171619755 402602026 /nfs/dbraw/zinc/60/20/26/402602026.db2.gz URHQCKHAEJHGPO-IBGZPJMESA-N 0 0 322.412 2.334 10 30 DEEERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](C)C#N ZINC000171847086 402628007 /nfs/dbraw/zinc/62/80/07/402628007.db2.gz LJPJJHQYPBEAIK-YDHLFZDLSA-N 0 0 301.390 2.107 10 30 DEEERN N#CC1(c2ccc(C(=O)N[C@H]3CCc4n[nH]cc4C3)cc2)CC1 ZINC000180408681 402615730 /nfs/dbraw/zinc/61/57/30/402615730.db2.gz UPGSEMSWZBLCPA-HNNXBMFYSA-N 0 0 306.369 2.252 10 30 DEEERN C=CCCC[C@H](C)NC(=O)NCc1cccnc1-n1cncn1 ZINC000180542063 402619847 /nfs/dbraw/zinc/61/98/47/402619847.db2.gz IRCLQYJXZQSORY-ZDUSSCGKSA-N 0 0 314.393 2.206 10 30 DEEERN C=CCOc1cccc(CN2C[C@@H](C)O[C@H](C(=O)OC)C2)c1 ZINC000180662459 402622755 /nfs/dbraw/zinc/62/27/55/402622755.db2.gz HVMKSMUFPGDPPZ-CJNGLKHVSA-N 0 0 305.374 2.014 10 30 DEEERN CCN(CCC#N)C(=O)CN1CC2(CCCC2)OC(C)(C)C1 ZINC000190954195 402632992 /nfs/dbraw/zinc/63/29/92/402632992.db2.gz BZOCMCFAVPYASN-UHFFFAOYSA-N 0 0 307.438 2.172 10 30 DEEERN Cc1cccc(N2CCC(NC(=O)NCCCCC#N)CC2)n1 ZINC000172067137 402639105 /nfs/dbraw/zinc/63/91/05/402639105.db2.gz NNZDRPJJJJNINF-UHFFFAOYSA-N 0 0 315.421 2.352 10 30 DEEERN CO[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2C#N)CC[C@@H]1C ZINC000251899677 402650554 /nfs/dbraw/zinc/65/05/54/402650554.db2.gz QWMTYGKKRQBONL-WOSRLPQWSA-N 0 0 301.390 2.242 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2ncoc2-c2ccccc2Cl)CCO1 ZINC000173581564 402704133 /nfs/dbraw/zinc/70/41/33/402704133.db2.gz ALIMQTNVMKAYMN-SNVBAGLBSA-N 0 0 317.732 2.360 10 30 DEEERN CC(C)(C)c1cc(C(=O)NCCOc2ccc(C#N)cc2)[nH]n1 ZINC000174156981 402729037 /nfs/dbraw/zinc/72/90/37/402729037.db2.gz KOHRVWGPJMOUPO-UHFFFAOYSA-N 0 0 312.373 2.388 10 30 DEEERN COc1cccc(F)c1[C@@H](C)N[C@@H](C)C(=O)N(C)CCC#N ZINC000174222958 402732080 /nfs/dbraw/zinc/73/20/80/402732080.db2.gz GSIZUKKQXVZEGC-NEPJUHHUSA-N 0 0 307.369 2.245 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1SC(C)C ZINC000183201930 402746709 /nfs/dbraw/zinc/74/67/09/402746709.db2.gz FAJAEUUMXZUEJW-LBPRGKRZSA-N 0 0 322.430 2.179 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCCc1nc2c(s1)CCCC2 ZINC000183300696 402754382 /nfs/dbraw/zinc/75/43/82/402754382.db2.gz NFUBONXVJAODKZ-LBPRGKRZSA-N 0 0 323.462 2.191 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCSCc1ccccc1F ZINC000182892302 402724777 /nfs/dbraw/zinc/72/47/77/402724777.db2.gz NHSUBLRUQXIBBD-CYBMUJFWSA-N 0 0 312.410 2.295 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)Cc2ccccc2)cn1 ZINC000183684269 402788890 /nfs/dbraw/zinc/78/88/90/402788890.db2.gz KRQNWIXBPJYFKX-UHFFFAOYSA-N 0 0 303.325 2.320 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000183858805 402802629 /nfs/dbraw/zinc/80/26/29/402802629.db2.gz GERNIJJNSOUNTJ-BXUZGUMPSA-N 0 0 308.353 2.276 10 30 DEEERN C=CCNC(=O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000175514379 402813443 /nfs/dbraw/zinc/81/34/43/402813443.db2.gz JDXAVWVTXDWZIS-CQSZACIVSA-N 0 0 301.390 2.024 10 30 DEEERN N#Cc1ccc(CC(=O)NC2CCN(c3ccccn3)CC2)cc1 ZINC000194739381 402813790 /nfs/dbraw/zinc/81/37/90/402813790.db2.gz VOIQVRANYRLCLA-UHFFFAOYSA-N 0 0 320.396 2.281 10 30 DEEERN N#Cc1cccc(C(=O)N2CCN(c3cccs3)C(=O)C2)c1 ZINC000184064384 402815168 /nfs/dbraw/zinc/81/51/68/402815168.db2.gz IFZJTGKBWXBHMK-UHFFFAOYSA-N 0 0 311.366 2.109 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CS(=O)(=O)CCCCC ZINC000263967959 402825599 /nfs/dbraw/zinc/82/55/99/402825599.db2.gz MVELTCHWVBYZDO-UHFFFAOYSA-N 0 0 315.357 2.168 10 30 DEEERN N#Cc1cc(C(=O)NCCCn2cnc3ccccc32)ccn1 ZINC000195050942 402828727 /nfs/dbraw/zinc/82/87/27/402828727.db2.gz KDTRBNJGAMOUQZ-UHFFFAOYSA-N 0 0 305.341 2.123 10 30 DEEERN Cc1nc2ccccc2n1CCNC(=O)c1ccnc(C#N)c1 ZINC000195060647 402829868 /nfs/dbraw/zinc/82/98/68/402829868.db2.gz ZMRIULDSQCPLQQ-UHFFFAOYSA-N 0 0 305.341 2.041 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000184446223 402844184 /nfs/dbraw/zinc/84/41/84/402844184.db2.gz MDMZDJAUEHNFMM-HOTGVXAUSA-N 0 0 309.431 2.480 10 30 DEEERN Cc1noc(CCNC(=O)Nc2ccccc2O[C@H](C)C#N)n1 ZINC000184355631 402838059 /nfs/dbraw/zinc/83/80/59/402838059.db2.gz WLAHOMYGSNGXOK-SNVBAGLBSA-N 0 0 315.333 2.033 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000175196178 402786828 /nfs/dbraw/zinc/78/68/28/402786828.db2.gz YJLAPMQWDURRKM-INIZCTEOSA-N 0 0 313.332 2.250 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000184463185 402845559 /nfs/dbraw/zinc/84/55/59/402845559.db2.gz AFMDROYRMMJCPY-CQSZACIVSA-N 0 0 316.401 2.279 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N(C)C[C@H]1CCCO1 ZINC000265115722 402895186 /nfs/dbraw/zinc/89/51/86/402895186.db2.gz BMFQCELGFBSNLK-OAHLLOKOSA-N 0 0 302.374 2.019 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc([C@@H]2CCCO2)nn1C ZINC000279310429 402929194 /nfs/dbraw/zinc/92/91/94/402929194.db2.gz NIODTRTVKIRUMI-OSAQELSMSA-N 0 0 305.378 2.191 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000273568002 403016000 /nfs/dbraw/zinc/01/60/00/403016000.db2.gz KBRPHUCBLFTWNK-LLVKDONJSA-N 0 0 303.280 2.295 10 30 DEEERN C=CCCCCNS(=O)(=O)c1ccc(C)cc1C(=O)OC ZINC000274428947 403055176 /nfs/dbraw/zinc/05/51/76/403055176.db2.gz BJQZIYPOHVHXDS-UHFFFAOYSA-N 0 0 311.403 2.416 10 30 DEEERN C[C@H]1NC(=O)CC[C@@H]1Nc1ccc(C#N)cc1Br ZINC000281589867 403072432 /nfs/dbraw/zinc/07/24/32/403072432.db2.gz GXLUTOWZHLJOLI-KCJUWKMLSA-N 0 0 308.179 2.400 10 30 DEEERN N#Cc1c[nH]c(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1 ZINC000269814108 403168011 /nfs/dbraw/zinc/16/80/11/403168011.db2.gz DECCWTJYJNWVPK-XHDPSFHLSA-N 0 0 317.295 2.113 10 30 DEEERN CC(=O)CCC(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000282175367 403129523 /nfs/dbraw/zinc/12/95/23/403129523.db2.gz VJIXFHQBVYSHDN-LBPRGKRZSA-N 0 0 309.163 2.499 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnccc1NC(=O)OC(C)(C)C ZINC000275916302 403132579 /nfs/dbraw/zinc/13/25/79/403132579.db2.gz FPKREDSKKBEVQZ-NSHDSACASA-N 0 0 321.377 2.095 10 30 DEEERN C=CCn1c(CC(C)C)nnc1N1CC[C@](O)(C(F)(F)F)C1 ZINC000282351032 403145987 /nfs/dbraw/zinc/14/59/87/403145987.db2.gz SHTHXEMKGFREGV-CYBMUJFWSA-N 0 0 318.343 2.166 10 30 DEEERN C=CCn1c(-c2cccnc2)nnc1N1CCS[C@@H](C)C1 ZINC000283510083 403202698 /nfs/dbraw/zinc/20/26/98/403202698.db2.gz MVMRSFYHBCAMHR-LBPRGKRZSA-N 0 0 301.419 2.468 10 30 DEEERN C=CCCN(C)C(=O)Nc1cc2c(cc1C(=O)OC)OCO2 ZINC000277300100 403202830 /nfs/dbraw/zinc/20/28/30/403202830.db2.gz UINQBJKYYMRFAC-UHFFFAOYSA-N 0 0 306.318 2.242 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccccc1Cn1cccn1 ZINC000277560164 403231080 /nfs/dbraw/zinc/23/10/80/403231080.db2.gz XAIGJTCOCGFRDL-UHFFFAOYSA-N 0 0 305.381 2.210 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000277608651 403236233 /nfs/dbraw/zinc/23/62/33/403236233.db2.gz HRIACWOSVILIAP-UHFFFAOYSA-N 0 0 314.360 2.264 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](C)CCc1ccc(O)cc1 ZINC000283297342 403187466 /nfs/dbraw/zinc/18/74/66/403187466.db2.gz CPJHGXABCCWCKO-CQSZACIVSA-N 0 0 318.417 2.254 10 30 DEEERN C=CCCOCCNC(=O)Nc1ccc(CC(=O)OC)cc1 ZINC000270439257 403191664 /nfs/dbraw/zinc/19/16/64/403191664.db2.gz JKIRFMOZPQQVEW-UHFFFAOYSA-N 0 0 306.362 2.116 10 30 DEEERN C=CCCCCNC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000277956410 403274315 /nfs/dbraw/zinc/27/43/15/403274315.db2.gz LMQXRJXLHLFFMG-OAHLLOKOSA-N 0 0 319.453 2.353 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NS(=O)(=O)Cc1cc(C)on1 ZINC000285403047 403289038 /nfs/dbraw/zinc/28/90/38/403289038.db2.gz UEPWZNHPVBEURH-OAHLLOKOSA-N 0 0 318.398 2.037 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@H]2CSCCS2)cc1 ZINC000298042685 403308653 /nfs/dbraw/zinc/30/86/53/403308653.db2.gz UDTRFMDHNBATHT-AWEZNQCLSA-N 0 0 306.456 2.316 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)[C@H](CC)c1ccncc1 ZINC000298061935 403312437 /nfs/dbraw/zinc/31/24/37/403312437.db2.gz XZPLZMGVTIKWAM-OAHLLOKOSA-N 0 0 303.406 2.416 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CC)C(C)(C)O ZINC000298088399 403319156 /nfs/dbraw/zinc/31/91/56/403319156.db2.gz VZKYMDFCGGCSGM-HOTGVXAUSA-N 0 0 302.418 2.470 10 30 DEEERN C=CCN(CCC#N)S(=O)(=O)c1cccnc1C(F)(F)F ZINC000292794919 403378756 /nfs/dbraw/zinc/37/87/56/403378756.db2.gz XCNBEASOXPTADQ-UHFFFAOYSA-N 0 0 319.308 2.191 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CC=C(c2ccnn2C)CC1 ZINC000286461258 403531371 /nfs/dbraw/zinc/53/13/71/403531371.db2.gz VDYIUFZYDNQLGG-QGZVFWFLSA-N 0 0 303.406 2.265 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1ccc(=O)[nH]c1 ZINC000287449145 403601478 /nfs/dbraw/zinc/60/14/78/403601478.db2.gz VNTDQCJHIQOEPM-KRWDZBQOSA-N 0 0 308.381 2.471 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000287267635 403564190 /nfs/dbraw/zinc/56/41/90/403564190.db2.gz QRSSOMWERPQHSB-UHFFFAOYSA-N 0 0 322.408 2.483 10 30 DEEERN C=CCCCN(C)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000347216325 403624357 /nfs/dbraw/zinc/62/43/57/403624357.db2.gz MOWSONLJAGMLHG-GASCZTMLSA-N 0 0 311.470 2.482 10 30 DEEERN CC[C@@H]1CCN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000294092349 403645684 /nfs/dbraw/zinc/64/56/84/403645684.db2.gz RIUHXAVBVJVAKW-CYBMUJFWSA-N 0 0 302.378 2.082 10 30 DEEERN Cc1ccnc(Nc2ccc(N3CCC(O)CC3)c(C#N)c2)n1 ZINC000301468122 403633479 /nfs/dbraw/zinc/63/34/79/403633479.db2.gz MZCYFMOAIHNJGB-UHFFFAOYSA-N 0 0 309.373 2.361 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@H]1CCO ZINC000287723277 403655689 /nfs/dbraw/zinc/65/56/89/403655689.db2.gz NWPOHHNWGLRUFA-RCCFBDPRSA-N 0 0 314.429 2.471 10 30 DEEERN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NCc1cccc(C#N)c1 ZINC000343725832 403708591 /nfs/dbraw/zinc/70/85/91/403708591.db2.gz CGPAUOMIMGUSFL-NVXWUHKLSA-N 0 0 324.384 2.076 10 30 DEEERN C=CCO[C@H]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000302111890 403707941 /nfs/dbraw/zinc/70/79/41/403707941.db2.gz BBGPLWFGGQYYSK-JTQLQIEISA-N 0 0 316.317 2.025 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1(O)CCCC1 ZINC000288092989 403723012 /nfs/dbraw/zinc/72/30/12/403723012.db2.gz HZKGGHAUPZXSOL-INIZCTEOSA-N 0 0 300.402 2.225 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1nnc(C)[nH]1 ZINC000288134346 403731836 /nfs/dbraw/zinc/73/18/36/403731836.db2.gz LBCPDJVKICRVHV-DOMZBBRYSA-N 0 0 311.389 2.108 10 30 DEEERN Cc1cc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)c(C#N)c(C)n1 ZINC000302852651 403734696 /nfs/dbraw/zinc/73/46/96/403734696.db2.gz JKGSYSSXZUMVCI-OKILXGFUSA-N 0 0 302.422 2.116 10 30 DEEERN C#CCC(CC#C)C(=O)N1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000295276143 403825287 /nfs/dbraw/zinc/82/52/87/403825287.db2.gz HZSKHOGWFUDGCD-GFCCVEGCSA-N 0 0 301.308 2.218 10 30 DEEERN C#CCC1(c2nc(CC(=O)N3CCCC3)no2)CCCCC1 ZINC000289280906 403894799 /nfs/dbraw/zinc/89/47/99/403894799.db2.gz YHACZVCXVREJHG-UHFFFAOYSA-N 0 0 301.390 2.460 10 30 DEEERN C=CCCCCNC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000351691326 403854478 /nfs/dbraw/zinc/85/44/78/403854478.db2.gz JMANUBYZYJCORL-UHFFFAOYSA-N 0 0 313.405 2.141 10 30 DEEERN C=CC[C@H](CO)Nc1ncccc1I ZINC000308514997 403957722 /nfs/dbraw/zinc/95/77/22/403957722.db2.gz MOOUQCYUCGSGAB-MRVPVSSYSA-N 0 0 304.131 2.035 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000362798341 403989084 /nfs/dbraw/zinc/98/90/84/403989084.db2.gz QPBAQBQAGVPBLQ-QZTJIDSGSA-N 0 0 314.429 2.312 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@H](C)CC1 ZINC000289689745 403993576 /nfs/dbraw/zinc/99/35/76/403993576.db2.gz NTJKJFRRINEOOM-UONOGXRCSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCOC[C@H]1NC(=O)N([C@H](C)CCc2ccc(C)o2)C1=O ZINC000348612314 404085023 /nfs/dbraw/zinc/08/50/23/404085023.db2.gz PPOPAKWBUHRHKA-BXUZGUMPSA-N 0 0 306.362 2.032 10 30 DEEERN C=CCOCC(=O)Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000348303304 404058385 /nfs/dbraw/zinc/05/83/85/404058385.db2.gz DAIQIBIYXDNSGB-GASCZTMLSA-N 0 0 318.417 2.437 10 30 DEEERN Cc1c([C@H]2OCC[C@@H]2NC(=O)N[C@@H](C)c2ccco2)cnn1C ZINC000328614866 404115523 /nfs/dbraw/zinc/11/55/23/404115523.db2.gz AMZZTGNYARVCDL-VZJVUDMVSA-N 0 0 318.377 2.416 10 30 DEEERN C=CCSCCNC(=O)N[C@H](CO)c1sccc1C ZINC000352078122 404129069 /nfs/dbraw/zinc/12/90/69/404129069.db2.gz VGFXCMIYWLMUSU-LLVKDONJSA-N 0 0 300.449 2.308 10 30 DEEERN Cn1ncc2c1C[C@H](C(=O)NC[C@@H]1CCCn3ccnc31)CC2 ZINC000328693849 404132900 /nfs/dbraw/zinc/13/29/00/404132900.db2.gz CSHGUFBSBCYHNZ-OCCSQVGLSA-N 0 0 313.405 2.256 10 30 DEEERN C[C@H](C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1cccc(F)c1 ZINC000363254933 404133262 /nfs/dbraw/zinc/13/32/62/404133262.db2.gz OJODFQWMQKDIHN-LRDDRELGSA-N 0 0 301.365 2.128 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@H](C)[C@@H]1CCCO1)CCC2 ZINC000328655320 404125512 /nfs/dbraw/zinc/12/55/12/404125512.db2.gz MTVYLRNXZXGZQT-RDBSUJKOSA-N 0 0 306.410 2.140 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC000290347064 404134635 /nfs/dbraw/zinc/13/46/35/404134635.db2.gz KCVXVMGGRIOMNS-CQSZACIVSA-N 0 0 319.453 2.110 10 30 DEEERN C[C@@H](NC(=O)N1C[C@@H]2COC[C@H](C1)O2)c1cccc(Cl)c1 ZINC000328728741 404138690 /nfs/dbraw/zinc/13/86/90/404138690.db2.gz GYKHGGUXPBHEPG-HONMWMINSA-N 0 0 310.781 2.415 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCOC2(C)C)cc1 ZINC000296219087 404150124 /nfs/dbraw/zinc/15/01/24/404150124.db2.gz ARLXUXKVLXKHGR-AWEZNQCLSA-N 0 0 317.389 2.291 10 30 DEEERN Cc1ccc([C@@H]2CCCN2S(=O)(=O)N(C)[C@H](C)CC#N)o1 ZINC000363469692 404163543 /nfs/dbraw/zinc/16/35/43/404163543.db2.gz DEQPDLYPHXYVTK-YPMHNXCESA-N 0 0 311.407 2.204 10 30 DEEERN Cc1noc([C@H](NC(=O)N2CCC[C@@H](C)C2)C2CCOCC2)n1 ZINC000328947513 404180725 /nfs/dbraw/zinc/18/07/25/404180725.db2.gz VWWMGQAQPZZUEJ-BXUZGUMPSA-N 0 0 322.409 2.492 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC000363874766 404234458 /nfs/dbraw/zinc/23/44/58/404234458.db2.gz KIQILBHZGHWXMP-MRXNPFEDSA-N 0 0 313.401 2.181 10 30 DEEERN C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOC ZINC000337805259 404252091 /nfs/dbraw/zinc/25/20/91/404252091.db2.gz HHRNOIHCXBIGTN-ZIAGYGMSSA-N 0 0 322.453 2.465 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(N(C)C)ncn1 ZINC000290684552 404272830 /nfs/dbraw/zinc/27/28/30/404272830.db2.gz MDCIABZATXUSFQ-OAHLLOKOSA-N 0 0 323.400 2.299 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000296504304 404280024 /nfs/dbraw/zinc/28/00/24/404280024.db2.gz CBYAUZGLLSDPGZ-QWRGUYRKSA-N 0 0 321.343 2.099 10 30 DEEERN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC[C@@H](C2CC2)C1 ZINC000329253102 404280546 /nfs/dbraw/zinc/28/05/46/404280546.db2.gz YWUMWUOXLIDAME-ILXRZTDVSA-N 0 0 318.421 2.379 10 30 DEEERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCCCC[C@@H]1C)CC2 ZINC000329277118 404287987 /nfs/dbraw/zinc/28/79/87/404287987.db2.gz CJHFWNYFIRQYFY-QWHCGFSZSA-N 0 0 305.426 2.334 10 30 DEEERN C=CCCCCNC(=O)C1CCN(Cc2nccn2C)CC1 ZINC000364187393 404326435 /nfs/dbraw/zinc/32/64/35/404326435.db2.gz AWSZXMAPOYHFEP-UHFFFAOYSA-N 0 0 304.438 2.105 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)NCCn1ncnn1 ZINC000355577338 404351916 /nfs/dbraw/zinc/35/19/16/404351916.db2.gz DJTFSVGCRSMXBK-UHFFFAOYSA-N 0 0 314.393 2.347 10 30 DEEERN Cn1cc([C@@H]2CCN(C(=O)NCCOC3CCCCC3)C2)cn1 ZINC000329346711 404309063 /nfs/dbraw/zinc/30/90/63/404309063.db2.gz VGIVDGFNLMCXOE-CQSZACIVSA-N 0 0 320.437 2.473 10 30 DEEERN C#CCCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000364082386 404311859 /nfs/dbraw/zinc/31/18/59/404311859.db2.gz RNWUTHNFAMYBEP-PMPSAXMXSA-N 0 0 312.417 2.144 10 30 DEEERN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCOC[C@@H]1C ZINC000291135868 404374515 /nfs/dbraw/zinc/37/45/15/404374515.db2.gz WQFRXBXMWODICP-AWEZNQCLSA-N 0 0 313.405 2.450 10 30 DEEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cn(C)nc1C1CC1 ZINC000329598526 404388675 /nfs/dbraw/zinc/38/86/75/404388675.db2.gz DCTKKYUIRHJDPG-NSHDSACASA-N 0 0 315.381 2.058 10 30 DEEERN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000329667239 404413878 /nfs/dbraw/zinc/41/38/78/404413878.db2.gz QLNXTEBMBUMGMO-WBMJQRKESA-N 0 0 317.433 2.176 10 30 DEEERN CC(F)(F)CCCNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000297235706 404512239 /nfs/dbraw/zinc/51/22/39/404512239.db2.gz WVDQCVUOWFBNPJ-UHFFFAOYSA-N 0 0 306.309 2.411 10 30 DEEERN COc1c(C)cc(CN(C)C(=O)N[C@@H]2CC[S@](=O)C2)cc1C ZINC000329992012 404518187 /nfs/dbraw/zinc/51/81/87/404518187.db2.gz KFHJAAUGMUMLOT-PEBXRYMYSA-N 0 0 324.446 2.179 10 30 DEEERN CC[C@@H](NC(=O)N[C@@H]1CCO[C@@H]1C)c1nnc2n1CCCCC2 ZINC000330197614 404582226 /nfs/dbraw/zinc/58/22/26/404582226.db2.gz SANJYOHEFTVELJ-JHJVBQTASA-N 0 0 321.425 2.137 10 30 DEEERN C=CCOc1ccc(CN2CC(F)(F)C[C@@H]2CO)cc1OC ZINC000364836811 404538654 /nfs/dbraw/zinc/53/86/54/404538654.db2.gz CPMZWJAIXGQJME-CYBMUJFWSA-N 0 0 313.344 2.462 10 30 DEEERN O=C(NCc1ccc(C2CC2)cc1)N[C@H]1CCCS(=O)(=O)C1 ZINC000330055992 404539833 /nfs/dbraw/zinc/53/98/33/404539833.db2.gz VEEIKRUCHXAICY-HNNXBMFYSA-N 0 0 322.430 2.145 10 30 DEEERN Cc1cn2cc(NC(=O)N3CCO[C@@H](C4CC4)C3)ccc2n1 ZINC000330120995 404557801 /nfs/dbraw/zinc/55/78/01/404557801.db2.gz GQIGBYXIDCIJRG-CQSZACIVSA-N 0 0 300.362 2.299 10 30 DEEERN C[S@@](=O)c1cccc(NC(=O)N2CCO[C@@H](C3CC3)C2)c1 ZINC000330123827 404558581 /nfs/dbraw/zinc/55/85/81/404558581.db2.gz HSIJMDXDOHVYAY-SPLOXXLWSA-N 0 0 308.403 2.080 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCCCO1 ZINC000330168304 404573230 /nfs/dbraw/zinc/57/32/30/404573230.db2.gz WICBDZKSKVWPDB-UMVBOHGHSA-N 0 0 307.394 2.413 10 30 DEEERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NC[C@H]2CC2(C)C)C1 ZINC000330188047 404578893 /nfs/dbraw/zinc/57/88/93/404578893.db2.gz UDZJLERTDPIDIZ-GRYCIOLGSA-N 0 0 308.382 2.100 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(C)cnc1Br ZINC000291950093 404595572 /nfs/dbraw/zinc/59/55/72/404595572.db2.gz BNTMOAXAKZDKIP-VIFPVBQESA-N 0 0 314.183 2.211 10 30 DEEERN C=CCn1c(C2CCC2)nnc1N(C[C@@H]1CCC(=O)N1)C(C)C ZINC000414519210 404664395 /nfs/dbraw/zinc/66/43/95/404664395.db2.gz WNRVUPQFHZAEFH-AWEZNQCLSA-N 0 0 317.437 2.225 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000330334841 404628859 /nfs/dbraw/zinc/62/88/59/404628859.db2.gz RAHQKPZKQZHBFX-TYNCELHUSA-N 0 0 315.377 2.255 10 30 DEEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)NCc2[nH]cnc2C)cn1 ZINC000330339694 404630297 /nfs/dbraw/zinc/63/02/97/404630297.db2.gz WYQIQERBWFHONH-GXTWGEPZSA-N 0 0 303.366 2.169 10 30 DEEERN CCC(CC)c1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)on1 ZINC000365372820 404635954 /nfs/dbraw/zinc/63/59/54/404635954.db2.gz SALQOBUZNIUULP-CQSZACIVSA-N 0 0 316.405 2.391 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000366097507 404756752 /nfs/dbraw/zinc/75/67/52/404756752.db2.gz ZGWANNQPPMTSEY-CYBMUJFWSA-N 0 0 314.389 2.300 10 30 DEEERN C=CCOCCNC(=O)NC[C@H]1CCCN(c2ccccc2)C1 ZINC000366107367 404757927 /nfs/dbraw/zinc/75/79/27/404757927.db2.gz HGCFNDFULVTUGY-MRXNPFEDSA-N 0 0 317.433 2.405 10 30 DEEERN CC[C@@H](OC1CCCCC1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000366184378 404768642 /nfs/dbraw/zinc/76/86/42/404768642.db2.gz VVRMWZCURTYAMN-DOTOQJQBSA-N 0 0 319.449 2.313 10 30 DEEERN CC(=O)N[C@H](CC(=O)N1CCC(C)(C#N)CC1)c1cccs1 ZINC000356968565 404722824 /nfs/dbraw/zinc/72/28/24/404722824.db2.gz BVFARHRPTBEQDE-CYBMUJFWSA-N 0 0 319.430 2.468 10 30 DEEERN CC1(C#N)CCN(C(=O)CNC(=O)CCC2CCCC2)CC1 ZINC000356967242 404723045 /nfs/dbraw/zinc/72/30/45/404723045.db2.gz GAFAUOFKWONSER-UHFFFAOYSA-N 0 0 305.422 2.225 10 30 DEEERN CCC[C@@H](C)N1C[C@@H](C(=O)N2CCC(C)(C#N)CC2)CC1=O ZINC000356982721 404723351 /nfs/dbraw/zinc/72/33/51/404723351.db2.gz VOEMRUCOZPULAZ-KGLIPLIRSA-N 0 0 305.422 2.176 10 30 DEEERN C=C(C)Cn1c(COCC)nnc1N1CCOC(C)(C)[C@H]1C ZINC000359113051 404783875 /nfs/dbraw/zinc/78/38/75/404783875.db2.gz DXNSDRUIOQDDSQ-CYBMUJFWSA-N 0 0 308.426 2.394 10 30 DEEERN CC#CCNC(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000359142869 404785153 /nfs/dbraw/zinc/78/51/53/404785153.db2.gz FURDHRCNWDWOTO-UHFFFAOYSA-N 0 0 305.809 2.021 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000359245982 404787931 /nfs/dbraw/zinc/78/79/31/404787931.db2.gz BCZPRCFIELNUBW-GFCCVEGCSA-N 0 0 307.350 2.500 10 30 DEEERN C=C(Br)CN1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366438040 404791621 /nfs/dbraw/zinc/79/16/21/404791621.db2.gz LDWWYXSHIXVIMK-LLVKDONJSA-N 0 0 310.257 2.184 10 30 DEEERN C=CCN(C[C@@H]1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC000359598037 404798383 /nfs/dbraw/zinc/79/83/83/404798383.db2.gz OZNDAGIFTHABFZ-QAPCUYQASA-N 0 0 319.470 2.467 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cccc(-n2cncn2)c1 ZINC000359932258 404810318 /nfs/dbraw/zinc/81/03/18/404810318.db2.gz NLQKXEYVJMGNMP-UHFFFAOYSA-N 0 0 310.279 2.458 10 30 DEEERN C=CC1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000360248392 404823552 /nfs/dbraw/zinc/82/35/52/404823552.db2.gz HNUITNCYYLCEDD-UHFFFAOYSA-N 0 0 308.378 2.425 10 30 DEEERN C=Cc1ccc(CCNS(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000360250019 404823646 /nfs/dbraw/zinc/82/36/46/404823646.db2.gz GLBWHASHLKTOHK-UHFFFAOYSA-N 0 0 304.415 2.485 10 30 DEEERN Cc1c(Cl)cnc(N[C@@H]2CCC(=O)N[C@H]2C2CC2)c1C#N ZINC000376485144 404823891 /nfs/dbraw/zinc/82/38/91/404823891.db2.gz CEIKUXVPKMWMDV-OCCSQVGLSA-N 0 0 304.781 2.384 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)NCCc1cn[nH]c1 ZINC000360276590 404823940 /nfs/dbraw/zinc/82/39/40/404823940.db2.gz JTUNVICVZZQFMV-UHFFFAOYSA-N 0 0 302.353 2.489 10 30 DEEERN C=CCOc1ccc(C(=O)NC[C@@H](CO)c2cccnc2)cc1 ZINC000360442926 404828323 /nfs/dbraw/zinc/82/83/23/404828323.db2.gz OBZVVMWTODTSGU-INIZCTEOSA-N 0 0 312.369 2.152 10 30 DEEERN CC#CCCCC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000366956148 404880286 /nfs/dbraw/zinc/88/02/86/404880286.db2.gz SSYYDSUDMGXKPQ-RDJZCZTQSA-N 0 0 312.413 2.486 10 30 DEEERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1cc(C#N)c[nH]1)CC2 ZINC000366740058 404840138 /nfs/dbraw/zinc/84/01/38/404840138.db2.gz RHBNFBYQLOEZED-UHFFFAOYSA-N 0 0 307.353 2.330 10 30 DEEERN C=CCCO[C@@H](C)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000435292205 404969831 /nfs/dbraw/zinc/96/98/31/404969831.db2.gz YFWKRGXMIWITCC-JSGCOSHPSA-N 0 0 302.374 2.210 10 30 DEEERN C=C(C)COCCNC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000361338110 405029013 /nfs/dbraw/zinc/02/90/13/405029013.db2.gz VNRFXRCVFSWAMX-AWEZNQCLSA-N 0 0 320.389 2.108 10 30 DEEERN Cc1cc(F)ccc1-n1cc(C(=O)Nc2cc(C#N)ccn2)nn1 ZINC000436029043 405038792 /nfs/dbraw/zinc/03/87/92/405038792.db2.gz QUHVQAHYQLSECV-UHFFFAOYSA-N 0 0 322.303 2.234 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@H]2CSc3ccccc32)CCN1C1CC1 ZINC000361477664 405090712 /nfs/dbraw/zinc/09/07/12/405090712.db2.gz JNRJOOHOGCWBRH-HIFRSBDPSA-N 0 0 313.426 2.075 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)N(CCCC)CCCC ZINC000451912893 405090827 /nfs/dbraw/zinc/09/08/27/405090827.db2.gz VFVZBUJBLLIMOV-CABCVRRESA-N 0 0 318.483 2.457 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@@H](C(=O)OCC)C2)CCOCC1 ZINC000424532133 405111700 /nfs/dbraw/zinc/11/17/00/405111700.db2.gz JNHQDLCFLYGYTF-CQSZACIVSA-N 0 0 309.406 2.161 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)CN(CCc2ccccc2)C1=O ZINC000424621444 405131803 /nfs/dbraw/zinc/13/18/03/405131803.db2.gz NYABTADWRMKPAK-HOTGVXAUSA-N 0 0 314.385 2.084 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)CCOCC1 ZINC000424673800 405146155 /nfs/dbraw/zinc/14/61/55/405146155.db2.gz ZJWGBCXRMXHUJD-LSDHHAIUSA-N 0 0 322.449 2.123 10 30 DEEERN C=CC(C)(C)CNS(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000416494964 405155329 /nfs/dbraw/zinc/15/53/29/405155329.db2.gz LIABXDIULXWPJS-UHFFFAOYSA-N 0 0 307.366 2.157 10 30 DEEERN CCO[C@@H]1C[C@H](Nc2ccncc2C#N)[C@@H]1Oc1ccccc1 ZINC000367802443 405158650 /nfs/dbraw/zinc/15/86/50/405158650.db2.gz KTBBDJAAHQKIRE-KSZLIROESA-N 0 0 309.369 2.412 10 30 DEEERN Cc1ncc(S(=O)(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)cc1C#N ZINC000408363361 405185472 /nfs/dbraw/zinc/18/54/72/405185472.db2.gz WHPSXWJWVUNZQS-WBMJQRKESA-N 0 0 319.430 2.463 10 30 DEEERN C=CCC1(C(=O)N2CCOc3cc(O)ccc3C2)CCOCC1 ZINC000424829611 405191195 /nfs/dbraw/zinc/19/11/95/405191195.db2.gz GXKHYZGOTJTBAH-UHFFFAOYSA-N 0 0 317.385 2.486 10 30 DEEERN CCC1(CC)CN(C(=O)c2cc(C#N)oc2C)CC[S@@]1=O ZINC000408407749 405199597 /nfs/dbraw/zinc/19/95/97/405199597.db2.gz WDHSVFUFXKRAIJ-NRFANRHFSA-N 0 0 308.403 2.223 10 30 DEEERN C=CCCn1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)nn1 ZINC000424867015 405200768 /nfs/dbraw/zinc/20/07/68/405200768.db2.gz OWXHOLMPDAQHOB-FVQBIDKESA-N 0 0 318.421 2.010 10 30 DEEERN C=CCCn1cc(C(=O)NC[C@@H]2CCO[C@@H](C(C)C)C2)nn1 ZINC000424865362 405200775 /nfs/dbraw/zinc/20/07/75/405200775.db2.gz DATJOKAJBFUJJH-UKRRQHHQSA-N 0 0 306.410 2.035 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCOc1ccc(OC)cc1 ZINC000424913781 405211552 /nfs/dbraw/zinc/21/15/52/405211552.db2.gz LTSJDGSMMFCERL-BBRMVZONSA-N 0 0 305.374 2.171 10 30 DEEERN Cc1cc(NC(=O)N2CCC(=O)[C@@H](C)C2)c(C#N)cc1N(C)C ZINC000408466131 405212908 /nfs/dbraw/zinc/21/29/08/405212908.db2.gz IMFINZYACNIEOV-LBPRGKRZSA-N 0 0 314.389 2.376 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnn(CCC)c1C1CC1 ZINC000424930686 405214278 /nfs/dbraw/zinc/21/42/78/405214278.db2.gz HFUWESDIIQKQAN-ZFWWWQNUSA-N 0 0 303.406 2.491 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(OCCCOC)cc1 ZINC000424928669 405214568 /nfs/dbraw/zinc/21/45/68/405214568.db2.gz ACHZNECWTFFPJX-RDJZCZTQSA-N 0 0 319.401 2.423 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1nc(C(C)(C)C)no1 ZINC000424933527 405215211 /nfs/dbraw/zinc/21/52/11/405215211.db2.gz QQCNIZRKPPUWRD-RYUDHWBXSA-N 0 0 307.394 2.007 10 30 DEEERN C=C(C)CCN1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000367847184 405171669 /nfs/dbraw/zinc/17/16/69/405171669.db2.gz HUCNPIAFWHCEHB-LSDHHAIUSA-N 0 0 300.402 2.462 10 30 DEEERN C=C(C)CCN1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000367847182 405172011 /nfs/dbraw/zinc/17/20/11/405172011.db2.gz HUCNPIAFWHCEHB-GJZGRUSLSA-N 0 0 300.402 2.462 10 30 DEEERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000408333985 405176826 /nfs/dbraw/zinc/17/68/26/405176826.db2.gz KIOCENMWZCMOHX-JQFCIGGWSA-N 0 0 314.385 2.273 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CC[C@@H](CO)[C@H]2CC)cc1 ZINC000452951516 405264563 /nfs/dbraw/zinc/26/45/63/405264563.db2.gz YSJRYFFCHCATDL-DOTOQJQBSA-N 0 0 303.402 2.413 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(Cc2cn3cc(Cl)ccc3n2)C1=O ZINC000419916739 405271842 /nfs/dbraw/zinc/27/18/42/405271842.db2.gz ACXAEQQJRCYBNI-LBPRGKRZSA-N 0 0 318.764 2.374 10 30 DEEERN Cc1[nH]c(C#N)cc1-c1nc(CC(=O)NC2CCCCC2)no1 ZINC000453015305 405274215 /nfs/dbraw/zinc/27/42/15/405274215.db2.gz GWVLGDATICSNKT-UHFFFAOYSA-N 0 0 313.361 2.236 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC1CCC(OC)CC1 ZINC000437935059 405225280 /nfs/dbraw/zinc/22/52/80/405225280.db2.gz RFRDZJMOGIUHJO-GYTBAZASSA-N 0 0 310.438 2.472 10 30 DEEERN C=C(C)CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000452719641 405232886 /nfs/dbraw/zinc/23/28/86/405232886.db2.gz CFXNSXIGOZDWGU-CQSZACIVSA-N 0 0 302.374 2.079 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CC[S@@](=O)C(CC)(CC)C1 ZINC000438443099 405246817 /nfs/dbraw/zinc/24/68/17/405246817.db2.gz LKADBJNVLOOXJQ-QVKFZJNVSA-N 0 0 315.479 2.365 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(F)cc1Cl ZINC000425182161 405255000 /nfs/dbraw/zinc/25/50/00/405255000.db2.gz YYHXTGLNFAHSTP-CABZTGNLSA-N 0 0 319.785 2.349 10 30 DEEERN C=CCn1cc(CNC(=O)Nc2cccc([C@@H](C)OC)c2)nn1 ZINC000425645844 405309652 /nfs/dbraw/zinc/30/96/52/405309652.db2.gz DMEHOXUUZGMREQ-GFCCVEGCSA-N 0 0 315.377 2.493 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CCO)c1ccccc1 ZINC000425682541 405313216 /nfs/dbraw/zinc/31/32/16/405313216.db2.gz KBKDQVIVZRSMOH-XHSDSOJGSA-N 0 0 304.390 2.000 10 30 DEEERN C=CCCCCNC(=O)NC(C)(C)c1nocc1C(=O)OC ZINC000425734952 405316580 /nfs/dbraw/zinc/31/65/80/405316580.db2.gz CZSHTJGWMMPMBR-UHFFFAOYSA-N 0 0 309.366 2.352 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)Nc1ccc2cc[nH]c(=O)c2c1 ZINC000425758695 405318116 /nfs/dbraw/zinc/31/81/16/405318116.db2.gz VCODJRKAZSUVOZ-LLVKDONJSA-N 0 0 301.346 2.247 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1nnc([C@H](C)CC)[nH]1 ZINC000425862123 405325326 /nfs/dbraw/zinc/32/53/26/405325326.db2.gz WXEGZSDYRBWVSJ-NDBYEHHHSA-N 0 0 321.425 2.270 10 30 DEEERN C=CC[C@H]1N(C(=O)NCCCn2ccnn2)CCCC1(C)C ZINC000445251748 405350356 /nfs/dbraw/zinc/35/03/56/405350356.db2.gz QKNVGJUYDTWTMV-CQSZACIVSA-N 0 0 305.426 2.445 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N[C@H]1COCC1(C)C ZINC000454483226 405352308 /nfs/dbraw/zinc/35/23/08/405352308.db2.gz JZDRRKGRFCUKKA-HNNXBMFYSA-N 0 0 304.390 2.476 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)CCc1cccn1C ZINC000425444802 405291619 /nfs/dbraw/zinc/29/16/19/405291619.db2.gz MBSZGDVWAZZDKE-YCPHGPKFSA-N 0 0 305.422 2.237 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)Oc1ccccc1F ZINC000425452139 405292759 /nfs/dbraw/zinc/29/27/59/405292759.db2.gz YMUYBUPUPYXSRH-IPYPFGDCSA-N 0 0 322.380 2.483 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CC)COCC(F)(F)F ZINC000425556300 405302913 /nfs/dbraw/zinc/30/29/13/405302913.db2.gz SMSIEVAXWUNYCN-TUAOUCFPSA-N 0 0 324.343 2.234 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCCNc1ccccn1 ZINC000425562788 405303721 /nfs/dbraw/zinc/30/37/21/405303721.db2.gz HJQKWALLQDFDLZ-GJZGRUSLSA-N 0 0 318.421 2.164 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCOC[C@H]1c1ccc(C)o1 ZINC000425567405 405304076 /nfs/dbraw/zinc/30/40/76/405304076.db2.gz SJXVXDHGHJEEJN-KKUMJFAQSA-N 0 0 320.389 2.262 10 30 DEEERN C=CCN(C)C(=O)C(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000446707497 405389291 /nfs/dbraw/zinc/38/92/91/405389291.db2.gz SSPMUMDGFPUGQR-UHFFFAOYSA-N 0 0 306.410 2.245 10 30 DEEERN C=CCNC(=O)Nc1ccc(NC(=O)C2CC(C)(O)C2)cc1 ZINC000448631099 405429712 /nfs/dbraw/zinc/42/97/12/405429712.db2.gz UMWHIAHIWMHXGE-UHFFFAOYSA-N 0 0 303.362 2.094 10 30 DEEERN Cc1nc(C2(NC(=O)c3ccc(C#N)n3C)CCCCC2)no1 ZINC000448771107 405446405 /nfs/dbraw/zinc/44/64/05/405446405.db2.gz MUDWVRIQHATNQR-UHFFFAOYSA-N 0 0 313.361 2.178 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(F)c(OC)c(F)c1OC ZINC000455822675 405453876 /nfs/dbraw/zinc/45/38/76/405453876.db2.gz HLFBUJHQGMUILD-QMMMGPOBSA-N 0 0 316.304 2.041 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(OC)c(OC)c1OC ZINC000448891284 405459777 /nfs/dbraw/zinc/45/97/77/405459777.db2.gz QTXMHIATVGSMRM-PWSUYJOCSA-N 0 0 307.346 2.242 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(N2CCCC2)nc1 ZINC000577742469 405504890 /nfs/dbraw/zinc/50/48/90/405504890.db2.gz SRIOCZPZJWPZTC-ZFWWWQNUSA-N 0 0 301.390 2.003 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000458623233 405508886 /nfs/dbraw/zinc/50/88/86/405508886.db2.gz QGKUZKQWUKYSKF-JONQDZQNSA-N 0 0 310.438 2.303 10 30 DEEERN C=CCCCCCNC(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000577765565 405510332 /nfs/dbraw/zinc/51/03/32/405510332.db2.gz FMANTLUTHDFIMU-UHFFFAOYSA-N 0 0 306.410 2.370 10 30 DEEERN C=CCC[C@H](CO)NC(=O)Cc1coc2cc(OC)ccc12 ZINC000456761698 405553739 /nfs/dbraw/zinc/55/37/39/405553739.db2.gz XULRUTMPMROTSJ-CYBMUJFWSA-N 0 0 303.358 2.427 10 30 DEEERN C=CCC[C@H](CO)NC(=O)Cc1cscc1Br ZINC000456763430 405554784 /nfs/dbraw/zinc/55/47/84/405554784.db2.gz HDZBOGXUQRRAQC-SNVBAGLBSA-N 0 0 318.236 2.496 10 30 DEEERN N#Cc1cnc(C(=O)N2CCC[C@H]2c2cc[nH]n2)c(Cl)c1 ZINC000557038779 405572029 /nfs/dbraw/zinc/57/20/29/405572029.db2.gz CUWVZMURZVUWQE-LBPRGKRZSA-N 0 0 301.737 2.307 10 30 DEEERN C=CCCCCCNC(=O)NC[C@@H](n1cncn1)C(F)(F)F ZINC000633339853 405579910 /nfs/dbraw/zinc/57/99/10/405579910.db2.gz ZCGJPDBGYZHCLM-LLVKDONJSA-N 0 0 319.331 2.427 10 30 DEEERN C=CCCc1ccccc1NC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC000558591121 405673177 /nfs/dbraw/zinc/67/31/77/405673177.db2.gz DJRNMAJPGMBMAV-GFCCVEGCSA-N 0 0 300.358 2.281 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCc2[nH]cnc2[C@H]1c1ccnn1C ZINC000633529667 405698492 /nfs/dbraw/zinc/69/84/92/405698492.db2.gz KXDJCZFGBINHDF-BLLLJJGKSA-N 0 0 313.405 2.220 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)Cc1nc(-c2ccco2)c(C)s1 ZINC000636111671 405747777 /nfs/dbraw/zinc/74/77/77/405747777.db2.gz NRYIUYVXVJUJMG-LBPRGKRZSA-N 0 0 318.398 2.145 10 30 DEEERN C=CCN(CCc1ccco1)Cc1cn(C[C@H]2CCOC2)nn1 ZINC000638918760 405757520 /nfs/dbraw/zinc/75/75/20/405757520.db2.gz SYSXJRKUGVYNCT-OAHLLOKOSA-N 0 0 316.405 2.138 10 30 DEEERN CN1C[C@@H](NC(=O)c2cccc(C#N)c2)CC[C@@H]1C(F)(F)F ZINC000583618080 405776172 /nfs/dbraw/zinc/77/61/72/405776172.db2.gz APRDKUOSZUGNOF-QWHCGFSZSA-N 0 0 311.307 2.313 10 30 DEEERN C=CCC1(C(=O)N2CCN([C@H](CC)CO)CC2)CCCCC1 ZINC000450262311 405805506 /nfs/dbraw/zinc/80/55/06/405805506.db2.gz MMFHWODWEXFBFL-MRXNPFEDSA-N 0 0 308.466 2.428 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@H]2CCOC[C@@H]2C)c(OC)c1 ZINC000432442620 405766615 /nfs/dbraw/zinc/76/66/15/405766615.db2.gz OVYBFBYIUZFVCM-ZFWWWQNUSA-N 0 0 319.401 2.344 10 30 DEEERN C=CCCC(C)(C)CNC(=O)CNC(=O)c1cccc(O)c1 ZINC000633965462 405933516 /nfs/dbraw/zinc/93/35/16/405933516.db2.gz UKYWHPRYWBJMMO-UHFFFAOYSA-N 0 0 304.390 2.231 10 30 DEEERN C=CCCC(C)(C)CNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000633963964 405933526 /nfs/dbraw/zinc/93/35/26/405933526.db2.gz YHSMBNDAOXGPOF-KBPBESRZSA-N 0 0 320.433 2.270 10 30 DEEERN C=CCNC(=O)CNC(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000450447655 405903508 /nfs/dbraw/zinc/90/35/08/405903508.db2.gz XBDJKFMENCZHEZ-WCQYABFASA-N 0 0 324.783 2.391 10 30 DEEERN Cc1cccn2cc(CNC(=O)Cc3cccc(C#N)c3)nc12 ZINC000531152008 405916156 /nfs/dbraw/zinc/91/61/56/405916156.db2.gz IPRCUPLZMBLIDU-UHFFFAOYSA-N 0 0 304.353 2.373 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)c1cn(C)nc1C ZINC000636594009 406020782 /nfs/dbraw/zinc/02/07/82/406020782.db2.gz DYASPQMRSNAEKH-GFCCVEGCSA-N 0 0 320.437 2.014 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C)CCc1ccco1 ZINC000636472207 405976955 /nfs/dbraw/zinc/97/69/55/405976955.db2.gz XNERJWWBZOEGLB-ZDUSSCGKSA-N 0 0 306.406 2.435 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NC[C@H](OC)c1ccccc1 ZINC000636503995 405992898 /nfs/dbraw/zinc/99/28/98/405992898.db2.gz XSXNQJNJRNMUKW-HNNXBMFYSA-N 0 0 318.417 2.209 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCc1cccc(OC)c1 ZINC000636517183 405997395 /nfs/dbraw/zinc/99/73/95/405997395.db2.gz BPDBGEVOZJTTJX-UHFFFAOYSA-N 0 0 318.417 2.072 10 30 DEEERN CCS(=O)(=O)Cc1ccc(Nc2nc(C)cc(C#N)n2)cc1 ZINC000450951695 405998476 /nfs/dbraw/zinc/99/84/76/405998476.db2.gz YMAKTLICBZESDU-UHFFFAOYSA-N 0 0 316.386 2.335 10 30 DEEERN C=CCn1c(N(C)Cc2cc(C)on2)nnc1[C@]1(C)CCCO1 ZINC000562568993 406036352 /nfs/dbraw/zinc/03/63/52/406036352.db2.gz KLFUOMUUQHJDCL-INIZCTEOSA-N 0 0 317.393 2.423 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000636813087 406088658 /nfs/dbraw/zinc/08/86/58/406088658.db2.gz ATUSYMSLDLUJHK-HUUCEWRRSA-N 0 0 322.449 2.169 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000566565271 406089553 /nfs/dbraw/zinc/08/95/53/406089553.db2.gz GENIYZOTZPOHFI-UKRRQHHQSA-N 0 0 305.422 2.342 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@@H]1CCC[C@@H]1OC ZINC000636653684 406043029 /nfs/dbraw/zinc/04/30/29/406043029.db2.gz GLTMKKCDMGYNDR-KBPBESRZSA-N 0 0 310.438 2.026 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C)c1nc(C)cs1 ZINC000636663246 406046118 /nfs/dbraw/zinc/04/61/18/406046118.db2.gz ROBOIMASBFVZBN-LLVKDONJSA-N 0 0 309.435 2.347 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCCc1c(C)noc1C ZINC000636684409 406052995 /nfs/dbraw/zinc/05/29/95/406052995.db2.gz ICNYPXBCMYDXAY-UHFFFAOYSA-N 0 0 321.421 2.059 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N[C@H](c1ccccn1)C1CCC1 ZINC000637073050 406168160 /nfs/dbraw/zinc/16/81/60/406168160.db2.gz KACGBHABJOPHFW-HNNXBMFYSA-N 0 0 301.390 2.074 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCC(CCF)CC1 ZINC000634340968 406107356 /nfs/dbraw/zinc/10/73/56/406107356.db2.gz GIDVJXKPIICCLM-CQSZACIVSA-N 0 0 324.400 2.128 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@H]1CCO[C@H]1C(=C)C ZINC000636936453 406127381 /nfs/dbraw/zinc/12/73/81/406127381.db2.gz MZVTZFUEMQHLGP-CABCVRRESA-N 0 0 322.449 2.192 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CCC[C@H]1OCC ZINC000636950534 406130750 /nfs/dbraw/zinc/13/07/50/406130750.db2.gz VZOFMJWZTIUXGS-ZIAGYGMSSA-N 0 0 310.438 2.169 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1scc(Br)c1C ZINC000632446236 406142195 /nfs/dbraw/zinc/14/21/95/406142195.db2.gz ZHAOJROWRVGEIO-MRVPVSSYSA-N 0 0 304.209 2.486 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C1CC1)[C@H]1CCCCO1 ZINC000637000193 406145441 /nfs/dbraw/zinc/14/54/41/406145441.db2.gz SXMAZDGBPGLUOV-HUUCEWRRSA-N 0 0 322.449 2.169 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@H](C)c1cnc(C)s1 ZINC000637000229 406145757 /nfs/dbraw/zinc/14/57/57/406145757.db2.gz UDIQOWODSHGZCL-LLVKDONJSA-N 0 0 309.435 2.491 10 30 DEEERN C=CCOCCCNC(=O)C(=O)NCC[C@@H]1CCCC1(C)C ZINC000637011810 406149712 /nfs/dbraw/zinc/14/97/12/406149712.db2.gz CMQYJLYEHKOLOA-AWEZNQCLSA-N 0 0 310.438 2.028 10 30 DEEERN C=CCOc1ccc(CNC(=O)NCC[C@@H](O)C(F)F)cc1 ZINC000637138238 406187482 /nfs/dbraw/zinc/18/74/82/406187482.db2.gz IOUBPGJOJOTBIR-CYBMUJFWSA-N 0 0 314.332 2.067 10 30 DEEERN C=CCCCCCNC(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000568185849 406206998 /nfs/dbraw/zinc/20/69/98/406206998.db2.gz KISRYEHFDRMALB-INIZCTEOSA-N 0 0 311.470 2.389 10 30 DEEERN N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)s1 ZINC000487239970 406218987 /nfs/dbraw/zinc/21/89/87/406218987.db2.gz OBUFHZBPVAFICL-CYBMUJFWSA-N 0 0 311.366 2.155 10 30 DEEERN C=CCCCCCNC(=O)Nc1cccc(OCC(N)=O)c1 ZINC000568660227 406220068 /nfs/dbraw/zinc/22/00/68/406220068.db2.gz XPVUCXZCXRMRJW-UHFFFAOYSA-N 0 0 305.378 2.419 10 30 DEEERN Cn1cc([C@@H](NC(=O)c2ccc(C#N)s2)C(F)(F)F)cn1 ZINC000487737138 406260336 /nfs/dbraw/zinc/26/03/36/406260336.db2.gz ZIQBURUDNALZJU-SNVBAGLBSA-N 0 0 314.292 2.387 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CCO[C@@H](C(F)F)CC1 ZINC000634751583 406266024 /nfs/dbraw/zinc/26/60/24/406266024.db2.gz SXTRBZIGVJSNCW-QWHCGFSZSA-N 0 0 304.381 2.156 10 30 DEEERN C=CCC[C@H]1NC(=O)N(C2CCC(c3nc(C)no3)CC2)C1=O ZINC000569949239 406325526 /nfs/dbraw/zinc/32/55/26/406325526.db2.gz BJLXIVXQTOKPBU-WXRRBKDZSA-N 0 0 318.377 2.291 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC000637496829 406328988 /nfs/dbraw/zinc/32/89/88/406328988.db2.gz SKLJVBJGUOLODG-CYBMUJFWSA-N 0 0 315.373 2.382 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)NCC1(C(F)(F)F)CCCC1 ZINC000637536091 406340758 /nfs/dbraw/zinc/34/07/58/406340758.db2.gz VLUQWWXVZLZKIV-NSHDSACASA-N 0 0 306.328 2.183 10 30 DEEERN C=CCC1(NC(=O)N[C@@H]2CCN(C3CCC3)C2=O)CCCC1 ZINC000637571985 406351936 /nfs/dbraw/zinc/35/19/36/406351936.db2.gz KLOOZOBYDORLJA-CQSZACIVSA-N 0 0 305.422 2.328 10 30 DEEERN Cc1cc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c(C)cn1 ZINC000541877057 406300558 /nfs/dbraw/zinc/30/05/58/406300558.db2.gz KIZJKXZFFZQHKW-QGZVFWFLSA-N 0 0 317.389 2.321 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(C(=O)N(C)CC)c1 ZINC000570510005 406403126 /nfs/dbraw/zinc/40/31/26/406403126.db2.gz SGTZGJSIXLIBDO-HOTGVXAUSA-N 0 0 316.401 2.099 10 30 DEEERN N#Cc1cccc(CC(=O)NCc2nccc(C(F)F)n2)c1 ZINC000570303859 406376333 /nfs/dbraw/zinc/37/63/33/406376333.db2.gz CQLFLPBRRRWZPU-UHFFFAOYSA-N 0 0 302.284 2.145 10 30 DEEERN C=CCN(Cc1ccc(C(F)F)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000637961846 406497885 /nfs/dbraw/zinc/49/78/85/406497885.db2.gz DRNJNRQLNJWDTA-GFCCVEGCSA-N 0 0 316.373 2.194 10 30 DEEERN C=CCN(C)C(=O)CCn1cnc2sc(C)c(C)c2c1=O ZINC000490080720 406450801 /nfs/dbraw/zinc/45/08/01/406450801.db2.gz PZKKGWWRUDQNRY-UHFFFAOYSA-N 0 0 305.403 2.109 10 30 DEEERN C=CCNC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000491870327 406755742 /nfs/dbraw/zinc/75/57/42/406755742.db2.gz MPKQTSNDGGCTRB-UHFFFAOYSA-N 0 0 319.224 2.201 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1ccccc1F)[C@@H](C)O ZINC000574330145 406781932 /nfs/dbraw/zinc/78/19/32/406781932.db2.gz MNGVWWKMHXFMKE-KNPMLCFXSA-N 0 0 322.380 2.138 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(OCC(C)C)CC1 ZINC000574751814 406786088 /nfs/dbraw/zinc/78/60/88/406786088.db2.gz RZFIFSXIUQLNRM-HOCLYGCPSA-N 0 0 310.438 2.424 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](CO)c1sccc1C ZINC000575093712 406789626 /nfs/dbraw/zinc/78/96/26/406789626.db2.gz PEZSARWGYVXGGM-UPJWGTAASA-N 0 0 310.419 2.123 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1ccccc1C(=O)OC ZINC000575136889 406789721 /nfs/dbraw/zinc/78/97/21/406789721.db2.gz MXUDSFHEXSMLHL-UHFFFAOYSA-N 0 0 311.403 2.498 10 30 DEEERN CCOC(=O)Cc1cc(Br)cc(C#N)c1[N+](=O)[O-] ZINC000575383621 406807699 /nfs/dbraw/zinc/80/76/99/406807699.db2.gz SZPFJVPLOSXPAR-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN N#Cc1c(S(N)(=O)=O)ccc(C(F)(F)F)c1C(F)(F)F ZINC000575379719 406808185 /nfs/dbraw/zinc/80/81/85/406808185.db2.gz JBSUULIXRNAVBR-UHFFFAOYSA-N 0 0 318.198 2.243 10 30 DEEERN CCOC(=O)Cc1c(C#N)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575388476 406808902 /nfs/dbraw/zinc/80/89/02/406808902.db2.gz VTPVQIVETTYGLP-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN CCOC(=O)Cc1cc(C#N)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575388289 406809012 /nfs/dbraw/zinc/80/90/12/406809012.db2.gz RPXFZJFLJXUWOA-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN C=CCC1(CNC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)CCCC1 ZINC000575884331 406827094 /nfs/dbraw/zinc/82/70/94/406827094.db2.gz TUUIWBAGDPZEAQ-GOOCMWNKSA-N 0 0 305.418 2.481 10 30 DEEERN C=C(C)C(C)(C)C(=O)N[C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000577380021 406836553 /nfs/dbraw/zinc/83/65/53/406836553.db2.gz RCUAPIVGYNPTMN-AWEZNQCLSA-N 0 0 305.422 2.342 10 30 DEEERN C[C@@H](O)CN1CCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000329417886 287087274 /nfs/dbraw/zinc/08/72/74/287087274.db2.gz DOLMEAXSCVAKPV-YYIAUSFCSA-N 0 0 323.481 2.258 10 30 DEEERN CCC[C@H](COC)NC(=O)c1ccc(C#CCO)c(Cl)c1 ZINC000128926238 196004910 /nfs/dbraw/zinc/00/49/10/196004910.db2.gz JQURVLVQAHGHPU-CQSZACIVSA-N 0 0 309.793 2.229 10 30 DEEERN O=C(NC[C@H]1CCCS1)c1ccc(C#CCO)c(Cl)c1 ZINC000128973676 196009144 /nfs/dbraw/zinc/00/91/44/196009144.db2.gz IIJACYCAJFCBDV-CYBMUJFWSA-N 0 0 309.818 2.309 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C)n1C1CC1 ZINC000129252093 196033123 /nfs/dbraw/zinc/03/31/23/196033123.db2.gz MHGOLSWGQCZMFC-UHFFFAOYSA-N 0 0 319.372 2.408 10 30 DEEERN C=CCSCCNC(=O)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000129260648 196033430 /nfs/dbraw/zinc/03/34/30/196033430.db2.gz YEWHZYZJZGRENT-GFCCVEGCSA-N 0 0 322.430 2.368 10 30 DEEERN CC#CC[C@@H](NN)c1csc(I)c1 ZINC000129423541 196047501 /nfs/dbraw/zinc/04/75/01/196047501.db2.gz BGGRDBFGTSQSRT-MRVPVSSYSA-N 0 0 306.172 2.271 10 30 DEEERN CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CSC(=O)N1 ZINC000131553407 196179747 /nfs/dbraw/zinc/17/97/47/196179747.db2.gz XVAQXVVYRGSIPO-LBPRGKRZSA-N 0 0 304.375 2.144 10 30 DEEERN CCO[C@H](C)CNC(=O)c1ccc(C#CCCO)c(Cl)c1 ZINC000132335193 196247405 /nfs/dbraw/zinc/24/74/05/196247405.db2.gz HVAIAKJFIAFXIV-GFCCVEGCSA-N 0 0 309.793 2.229 10 30 DEEERN N#Cc1ccccc1CS(=O)(=O)Nc1c(N)cccc1F ZINC000132324805 196245794 /nfs/dbraw/zinc/24/57/94/196245794.db2.gz VCZLSCGXORFJBK-UHFFFAOYSA-N 0 0 305.334 2.221 10 30 DEEERN CC(C)CNC(=O)N1CCC[C@H](C(=O)NC2(C#N)CCCC2)C1 ZINC000132960842 196299415 /nfs/dbraw/zinc/29/94/15/196299415.db2.gz GSFXKLONAFNKLG-AWEZNQCLSA-N 0 0 320.437 2.017 10 30 DEEERN N#C[C@@]1([C@@H](O)c2cc(Cl)cc(Cl)c2)CCS(=O)(=O)C1 ZINC000134631376 196408597 /nfs/dbraw/zinc/40/85/97/196408597.db2.gz GPVKZLDVUFCSES-RYUDHWBXSA-N 0 0 320.197 2.355 10 30 DEEERN Cc1nnc([C@H](NC(=O)C#Cc2ccccc2)c2ccccc2)[nH]1 ZINC000175114914 224792601 /nfs/dbraw/zinc/79/26/01/224792601.db2.gz BTUJKYCVUGYSLH-GOSISDBHSA-N 0 0 316.364 2.370 10 30 DEEERN Cc1nc(C2CCCC2)sc1C(=O)N1CCOC[C@@H]1C#N ZINC000175880376 224805632 /nfs/dbraw/zinc/80/56/32/224805632.db2.gz OOYWGNJLOZPIPK-LBPRGKRZSA-N 0 0 305.403 2.474 10 30 DEEERN N#Cc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1O ZINC000188682568 225029550 /nfs/dbraw/zinc/02/95/50/225029550.db2.gz WIYCTGNRQCAEQB-YOEHRIQHSA-N 0 0 300.358 2.031 10 30 DEEERN N#Cc1cc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)ccn1 ZINC000193854925 225168721 /nfs/dbraw/zinc/16/87/21/225168721.db2.gz SSPXITPWPMJQLA-SFHVURJKSA-N 0 0 302.337 2.134 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CCO1 ZINC000194581603 225182713 /nfs/dbraw/zinc/18/27/13/225182713.db2.gz JPEGIZFYKZHMAB-LLVKDONJSA-N 0 0 316.691 2.219 10 30 DEEERN C[C@H](C#N)CN(C)C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000266103110 225336479 /nfs/dbraw/zinc/33/64/79/225336479.db2.gz SECFRUVKGJTPKX-BNOWGMLFSA-N 0 0 300.358 2.179 10 30 DEEERN C[C@H]1CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000328611795 225773311 /nfs/dbraw/zinc/77/33/11/225773311.db2.gz OUOLBTXVSHRBMP-ZNMIVQPWSA-N 0 0 307.438 2.423 10 30 DEEERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)Nc2cccnc2)cn1 ZINC000328628723 225775666 /nfs/dbraw/zinc/77/56/66/225775666.db2.gz NZLVUKDWWZYVFK-LSDHHAIUSA-N 0 0 315.377 2.353 10 30 DEEERN O=C(C[C@@H]1CCOC1)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000329730717 225924253 /nfs/dbraw/zinc/92/42/53/225924253.db2.gz DGPAWLCGWMTWPL-QWRGUYRKSA-N 0 0 309.391 2.149 10 30 DEEERN O=C(N[C@H]1COc2ccccc21)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329584592 225900479 /nfs/dbraw/zinc/90/04/79/225900479.db2.gz XXCAYCNPAOOHKI-FRRDWIJNSA-N 0 0 301.346 2.085 10 30 DEEERN C[C@@H]1CCCc2nc(S(=O)(=O)N[C@H]3CC[C@@H](CC#N)C3)cn21 ZINC000333121120 226101931 /nfs/dbraw/zinc/10/19/31/226101931.db2.gz GNQXVCKTZQHQQR-AGIUHOORSA-N 0 0 322.434 2.141 10 30 DEEERN COCc1ccccc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369221957 227028015 /nfs/dbraw/zinc/02/80/15/227028015.db2.gz YYZKUSUSMSIUQH-HNNXBMFYSA-N 0 0 314.389 2.037 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2ccc(Cl)cc2F)CCN1C1CC1 ZINC000370968401 227060286 /nfs/dbraw/zinc/06/02/86/227060286.db2.gz LLVQKFQYNRMVTB-GFCCVEGCSA-N 0 0 307.756 2.291 10 30 DEEERN N#C[C@H]1CN(Cc2c(Cl)nc3ccccn32)CCN1C1CC1 ZINC000371326062 227068872 /nfs/dbraw/zinc/06/88/72/227068872.db2.gz HSSVAFRDSXWFCI-ZDUSSCGKSA-N 0 0 315.808 2.160 10 30 DEEERN CSc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nc1 ZINC000371726435 227078394 /nfs/dbraw/zinc/07/83/94/227078394.db2.gz SZFKNYXBQZRDGN-LBPRGKRZSA-N 0 0 317.418 2.008 10 30 DEEERN N#C[C@H]1CN(C(=O)c2ccccc2OC(F)F)CCN1C1CC1 ZINC000377666719 227194855 /nfs/dbraw/zinc/19/48/55/227194855.db2.gz FFHPJBGYTUDWHL-LBPRGKRZSA-N 0 0 321.327 2.100 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC(F)(F)F)CC1 ZINC000408151285 227228061 /nfs/dbraw/zinc/22/80/61/227228061.db2.gz PKFZZCNZOJYAEC-RYUDHWBXSA-N 0 0 303.328 2.069 10 30 DEEERN C=C(C)C[C@H](Nc1nc2ccccc2n(CC)c1=O)C(=O)OC ZINC000601227488 422423433 /nfs/dbraw/zinc/42/34/33/422423433.db2.gz PZUGLMBWWZBRPB-ZDUSSCGKSA-N 0 0 315.373 2.336 10 30 DEEERN Cc1cc(NC(=O)C2(C#N)CCOCC2)nn1[C@H](C)C1CC1 ZINC000612056608 422480832 /nfs/dbraw/zinc/48/08/32/422480832.db2.gz VEDNKNGIRYRZFS-GFCCVEGCSA-N 0 0 302.378 2.421 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2nc3nc(C)cc(C)n3n2)C1 ZINC000629432637 422669643 /nfs/dbraw/zinc/66/96/43/422669643.db2.gz QURHHOBUINVUJP-LBPRGKRZSA-N 0 0 300.366 2.171 10 30 DEEERN C=CCCn1cc(CNc2ncncc2Br)nn1 ZINC000631312629 422678759 /nfs/dbraw/zinc/67/87/59/422678759.db2.gz FCWFRSYIAXVXAI-UHFFFAOYSA-N 0 0 309.171 2.019 10 30 DEEERN C=CCNC(=O)N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000042925278 424811116 /nfs/dbraw/zinc/81/11/16/424811116.db2.gz SGBIKXBYPOTSGG-UHFFFAOYSA-N 0 0 323.396 2.493 10 30 DEEERN C=CCN(CCOC)C(=O)Nc1cc(C)n([C@H](C)C2CC2)n1 ZINC000361938692 424849038 /nfs/dbraw/zinc/84/90/38/424849038.db2.gz TYEOBUKZUZYQAN-CYBMUJFWSA-N 0 0 306.410 2.829 10 30 DEEERN Cc1cc(C#N)nc(NC[C@@H](C)c2nc(-c3ccccc3)no2)n1 ZINC000367431895 424868268 /nfs/dbraw/zinc/86/82/68/424868268.db2.gz ZGBLEDXOZBMUCV-LLVKDONJSA-N 0 0 320.356 2.922 10 30 DEEERN COc1ccc(-n2ccc(CNc3cc(C#N)cc(C)n3)n2)cc1 ZINC000370260408 424877644 /nfs/dbraw/zinc/87/76/44/424877644.db2.gz HTNDUGWSIVEKHS-UHFFFAOYSA-N 0 0 319.368 3.068 10 30 DEEERN CNc1ncc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000371367405 424881029 /nfs/dbraw/zinc/88/10/29/424881029.db2.gz YPKNWAAOFMTSDX-UHFFFAOYSA-N 0 0 324.409 2.986 10 30 DEEERN CCc1nn(Cc2ccc(C#N)c(F)c2)c(=O)c(C#N)c1CC ZINC000187991251 266454159 /nfs/dbraw/zinc/45/41/59/266454159.db2.gz LUGTWEFPWUACSG-UHFFFAOYSA-N 0 0 310.332 2.299 10 30 DEEERN C=C(C)COCCNC(=O)c1nscc1Br ZINC000404967820 424930423 /nfs/dbraw/zinc/93/04/23/424930423.db2.gz YHJUPEVOZJFNIM-UHFFFAOYSA-N 0 0 305.197 2.228 10 30 DEEERN Cc1nc2c(s1)CCC[C@@H]2CNC([O-])=[NH+]c1ccn(C)n1 ZINC000328628391 424901377 /nfs/dbraw/zinc/90/13/77/424901377.db2.gz NSPGNIDTHKXYSX-SNVBAGLBSA-N 0 0 305.407 2.631 10 30 DEEERN C=CCNc1nnc(S[C@@H]2CCN(C(C)(C)C)C2=O)s1 ZINC000424086258 424991537 /nfs/dbraw/zinc/99/15/37/424991537.db2.gz QGMUFWXKYAGGBB-SECBINFHSA-N 0 0 312.464 2.628 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)Nc1cc(-c2ccccc2F)on1 ZINC000434075488 425024417 /nfs/dbraw/zinc/02/44/17/425024417.db2.gz QPVFWGBEQVLIHM-LLVKDONJSA-N 0 0 319.336 2.787 10 30 DEEERN N#Cc1c(Cl)cccc1N1CC[C@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000600881092 425047788 /nfs/dbraw/zinc/04/77/88/425047788.db2.gz VSZYUJKXKNFRFP-VIFPVBQESA-N 0 0 315.764 2.283 10 30 DEEERN C[C@@H]1C[C@H]1c1nnc2ccc(NCC3CCC(C#N)CC3)nn21 ZINC000450498250 425074105 /nfs/dbraw/zinc/07/41/05/425074105.db2.gz GDLJAXYWDGQRFU-BLYZHGLHSA-N 0 0 310.405 2.990 10 30 DEEERN C[C@@H]1C[C@@H]1c1nnc2ccc(NCC3CCC(C#N)CC3)nn21 ZINC000450498254 425074408 /nfs/dbraw/zinc/07/44/08/425074408.db2.gz GDLJAXYWDGQRFU-RYSNWHEDSA-N 0 0 310.405 2.990 10 30 DEEERN CN(C[C@@H]1COc2ccccc2O1)C(=O)Cc1cccc(C#N)c1 ZINC000530909219 267306572 /nfs/dbraw/zinc/30/65/72/267306572.db2.gz ZOXCXYAJPFFXAF-MRXNPFEDSA-N 0 0 322.364 2.399 10 30 DEEERN N#Cc1cccc(CC(=O)NCCc2cn3ccccc3n2)c1 ZINC000530911284 268275741 /nfs/dbraw/zinc/27/57/41/268275741.db2.gz ZAMHXFHAMMNSQN-UHFFFAOYSA-N 0 0 304.353 2.107 10 30 DEEERN CC(C)(C)OC(=O)C[C@H]1CCCN(c2cc(C#N)ncn2)C1 ZINC000517273265 269382239 /nfs/dbraw/zinc/38/22/39/269382239.db2.gz DGQUPRXFGNLMCP-GFCCVEGCSA-N 0 0 302.378 2.296 10 30 DEEERN C=C[C@@H](C)NC(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000345213459 275750059 /nfs/dbraw/zinc/75/00/59/275750059.db2.gz AGGXWAJEFYZVQD-SNVBAGLBSA-N 0 0 324.812 2.146 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCc2cc(F)c(F)cc21 ZINC000427683236 276915004 /nfs/dbraw/zinc/91/50/04/276915004.db2.gz SGBQNBUZSFBLIZ-GFCCVEGCSA-N 0 0 320.339 2.421 10 30 DEEERN C=C(C)CN(C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000180438344 277767882 /nfs/dbraw/zinc/76/78/82/277767882.db2.gz LMVXFVMJFJQENJ-HOCLYGCPSA-N 0 0 304.365 2.380 10 30 DEEERN C=CCC[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](O)CCCN2C1=O ZINC000277340446 277839180 /nfs/dbraw/zinc/83/91/80/277839180.db2.gz ZJGPQYXJMOMQKO-OAGGEKHMSA-N 0 0 314.385 2.481 10 30 DEEERN CC1(C)CCCC[C@@H]1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000365948503 278205172 /nfs/dbraw/zinc/20/51/72/278205172.db2.gz URSCCLPXFKVZFV-CABCVRRESA-N 0 0 304.438 2.337 10 30 DEEERN C[C@H]1CCOCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000365552287 278374238 /nfs/dbraw/zinc/37/42/38/278374238.db2.gz AEKRZGOVLZZJKF-YOEHRIQHSA-N 0 0 313.401 2.164 10 30 DEEERN C[C@@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CCC1=O ZINC000302743351 278798969 /nfs/dbraw/zinc/79/89/69/278798969.db2.gz DLOIOCPPUGHBJS-SNVBAGLBSA-N 0 0 310.313 2.430 10 30 DEEERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(C#N)cn1C ZINC000176687966 280023447 /nfs/dbraw/zinc/02/34/47/280023447.db2.gz RKDNIQNJUPPFTH-JTQLQIEISA-N 0 0 310.313 2.396 10 30 DEEERN CC(C)[C@H](C)NC(=O)CN1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000373835913 280215619 /nfs/dbraw/zinc/21/56/19/280215619.db2.gz JCKRVFCFBMHWRQ-UXLLHSPISA-N 0 0 307.438 2.074 10 30 DEEERN CC1(C)CN(C(=O)C2(C#N)CCCCC2)C[C@@]2(CCOC2)O1 ZINC000366526857 281152230 /nfs/dbraw/zinc/15/22/30/281152230.db2.gz YSRASYDAHNUCHR-QGZVFWFLSA-N 0 0 306.406 2.257 10 30 DEEERN Cc1cccc2c1OCC[C@H]2NC(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000329928301 281285385 /nfs/dbraw/zinc/28/53/85/281285385.db2.gz MFKKZWVTXGKYMC-GLQYFDAESA-N 0 0 304.390 2.435 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(O)c(F)c1 ZINC000133046134 282006386 /nfs/dbraw/zinc/00/63/86/282006386.db2.gz DVMSKCXRVCKWCQ-LLVKDONJSA-N 0 0 314.316 2.487 10 30 DEEERN N#C[C@@H]1CN(Cc2ccc(Br)o2)CCN1C1CC1 ZINC000364747147 294828471 /nfs/dbraw/zinc/82/84/71/294828471.db2.gz YPMUVWDDORLBOL-LLVKDONJSA-N 0 0 310.195 2.214 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)c1c(C)noc1C ZINC000584109610 331766546 /nfs/dbraw/zinc/76/65/46/331766546.db2.gz UFUXACWDZBFAGC-SWHYSGLUSA-N 0 0 307.394 2.285 10 30 DEEERN N#CC1CCC(CNS(=O)(=O)c2cccc3c2OCO3)CC1 ZINC000558682792 331934700 /nfs/dbraw/zinc/93/47/00/331934700.db2.gz UWOIZDSSQBVVJD-UHFFFAOYSA-N 0 0 322.386 2.024 10 30 DEEERN CC(=O)N[C@H](C(=O)NCc1ccc(CC#N)cc1)C1CCCC1 ZINC000582124148 332330125 /nfs/dbraw/zinc/33/01/25/332330125.db2.gz TXYJPUHXGXSXEI-KRWDZBQOSA-N 0 0 313.401 2.064 10 30 DEEERN C=C(C)Cn1c(N2CCC[C@@H](OC)C2)nnc1[C@@]1(C)CCCO1 ZINC000562785110 332625962 /nfs/dbraw/zinc/62/59/62/332625962.db2.gz ZDRPYTRFALINKU-RHSMWYFYSA-N 0 0 320.437 2.495 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CSc1ccc(C#N)cc1 ZINC000569961772 332697456 /nfs/dbraw/zinc/69/74/56/332697456.db2.gz IVJIBEPNEKZCAI-ZFWWWQNUSA-N 0 0 302.399 2.358 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCc2ccccc2C1 ZINC000563027714 333073645 /nfs/dbraw/zinc/07/36/45/333073645.db2.gz XTOIRQPVEFMKMA-ULQDDVLXSA-N 0 0 300.402 2.434 10 30 DEEERN CC(C)C(=O)N1CCC(NC(=O)C2(C#N)CCCCC2)CC1 ZINC000057431323 333396840 /nfs/dbraw/zinc/39/68/40/333396840.db2.gz LVFNQUGNPZSYPF-UHFFFAOYSA-N 0 0 305.422 2.224 10 30 DEEERN C=CCNC(=O)CN1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000365205575 333398526 /nfs/dbraw/zinc/39/85/26/333398526.db2.gz VMIBZOMVTMSUKU-UHFFFAOYSA-N 0 0 303.793 2.413 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](C4CC4)C3)cc2C1=O ZINC000534273900 333571936 /nfs/dbraw/zinc/57/19/36/333571936.db2.gz OHGOHUXAJDXJBF-CQSZACIVSA-N 0 0 324.380 2.341 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CO)[C@H]1C ZINC000563371429 333598086 /nfs/dbraw/zinc/59/80/86/333598086.db2.gz GZEZSTVNLAVKQW-RBSFLKMASA-N 0 0 320.437 2.303 10 30 DEEERN C=CCN(C(=O)CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000339921986 333672901 /nfs/dbraw/zinc/67/29/01/333672901.db2.gz HIJFUYSDILOJFR-MRXNPFEDSA-N 0 0 321.442 2.129 10 30 DEEERN C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000344163620 335226456 /nfs/dbraw/zinc/22/64/56/335226456.db2.gz VZEQFAOGTSUECB-JKSUJKDBSA-N 0 0 323.481 2.075 10 30 DEEERN C=CCCCS(=O)(=O)N[C@H](c1ccccc1F)[C@H](C)O ZINC000519822995 335898161 /nfs/dbraw/zinc/89/81/61/335898161.db2.gz JCFYSIZPIXNYEW-FZMZJTMJSA-N 0 0 301.383 2.133 10 30 DEEERN C=CCOCCCN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000356035711 336533134 /nfs/dbraw/zinc/53/31/34/336533134.db2.gz GBTPVLQAZPFRTF-KRWDZBQOSA-N 0 0 302.374 2.436 10 30 DEEERN CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)c1ccncc1C#N ZINC000582502209 337099009 /nfs/dbraw/zinc/09/90/09/337099009.db2.gz RZGRGUDEJUBKLS-OALUTQOASA-N 0 0 322.412 2.461 10 30 DEEERN C=CCn1c(=O)c2cnc(SC)nc2n1C(=O)OC(C)(C)C ZINC000584652924 337381151 /nfs/dbraw/zinc/38/11/51/337381151.db2.gz VSVNVTWQHGOLCM-UHFFFAOYSA-N 0 0 322.390 2.284 10 30 DEEERN COC(=O)[C@H](C)Sc1ccccc1C(=O)N[C@@H](C#N)C1CC1 ZINC000161865931 337598299 /nfs/dbraw/zinc/59/82/99/337598299.db2.gz VGIVWESSOXHURR-GWCFXTLKSA-N 0 0 318.398 2.372 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC2(CCC2)C[C@@H]1C ZINC000515713005 337996400 /nfs/dbraw/zinc/99/64/00/337996400.db2.gz ZZPXYQGIXOTCTM-KBPBESRZSA-N 0 0 318.421 2.321 10 30 DEEERN C=CCNC(=O)c1ccc(N2CCC[C@@]3(CCOC3)C2)nc1 ZINC000515773159 337997664 /nfs/dbraw/zinc/99/76/64/337997664.db2.gz LHHIGLNJIXAEFE-QGZVFWFLSA-N 0 0 301.390 2.004 10 30 DEEERN CC#CCCNC(=O)N1CCCN(c2ccccc2F)CC1 ZINC000502115957 340095599 /nfs/dbraw/zinc/09/55/99/340095599.db2.gz HUNAIYLMIQWECG-UHFFFAOYSA-N 0 0 303.381 2.461 10 30 DEEERN C=CCn1c(C)nnc1SCc1ccc(C(=O)OC)cn1 ZINC000505428237 340168161 /nfs/dbraw/zinc/16/81/61/340168161.db2.gz QTWWOFRCZHXEPV-UHFFFAOYSA-N 0 0 304.375 2.246 10 30 DEEERN C=C(C)CCN(C)S(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000505662023 340174439 /nfs/dbraw/zinc/17/44/39/340174439.db2.gz OLSUHHCWEWSVMM-UHFFFAOYSA-N 0 0 313.379 2.223 10 30 DEEERN N#C[C@@H](NC(=O)CCNC(=O)c1ccc2ccccc2c1)C1CC1 ZINC000174211731 340384104 /nfs/dbraw/zinc/38/41/04/340384104.db2.gz KHQAJORCYYUXHR-QGZVFWFLSA-N 0 0 321.380 2.378 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC000521791691 340531511 /nfs/dbraw/zinc/53/15/11/340531511.db2.gz YYSCUWWIFQVZGS-NSHDSACASA-N 0 0 306.328 2.068 10 30 DEEERN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N[C@H](C#N)C1CC1 ZINC000191446412 340554327 /nfs/dbraw/zinc/55/43/27/340554327.db2.gz LNJQMPFFVFGQRK-CYBMUJFWSA-N 0 0 316.311 2.491 10 30 DEEERN COC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(C)C ZINC000542798198 341021045 /nfs/dbraw/zinc/02/10/45/341021045.db2.gz YACINZVWMKHRRM-BLLLJJGKSA-N 0 0 312.410 2.035 10 30 DEEERN COC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(C)C ZINC000542798202 341021035 /nfs/dbraw/zinc/02/10/35/341021035.db2.gz YACINZVWMKHRRM-WBMJQRKESA-N 0 0 312.410 2.035 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1nccnc1Sc1ccccc1 ZINC000546697823 341179337 /nfs/dbraw/zinc/17/93/37/341179337.db2.gz KQVRQYOZSUWTNV-LBPRGKRZSA-N 0 0 315.398 2.295 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1CCC[C@H]1O ZINC000134657050 341221283 /nfs/dbraw/zinc/22/12/83/341221283.db2.gz GDWPBAJMLXUHKC-SWLSCSKDSA-N 0 0 305.374 2.151 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H](C)C(C)(C)C ZINC000565841193 341540000 /nfs/dbraw/zinc/54/00/00/341540000.db2.gz JEQZGTMCHCHOJT-CYBMUJFWSA-N 0 0 306.406 2.388 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1C[C@H](C)CC[C@H]1C ZINC000580537565 341806422 /nfs/dbraw/zinc/80/64/22/341806422.db2.gz WDMSNGMIFDWCBH-MCIONIFRSA-N 0 0 306.410 2.177 10 30 DEEERN C=CCN(C)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000342235741 500576192 /nfs/dbraw/zinc/57/61/92/500576192.db2.gz NMVGJRVMVPCWST-UKRRQHHQSA-N 0 0 301.390 2.003 10 30 DEEERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(C#N)cc1 ZINC000087049132 500609880 /nfs/dbraw/zinc/60/98/80/500609880.db2.gz YLUVCRPSLYKNGX-CQSZACIVSA-N 0 0 324.388 2.046 10 30 DEEERN C[C@H]1CN(CC(=O)NC2(C#N)CCC2)C[C@H](c2ccccc2)O1 ZINC000364752055 533910365 /nfs/dbraw/zinc/91/03/65/533910365.db2.gz BMVCCUJUSUKHSP-GOEBONIOSA-N 0 0 313.401 2.011 10 30 DEEERN Cc1c(S(=O)(=O)N[C@H]2CCC[C@@H]2C#N)c2ccccc2n1C ZINC000408016583 533936022 /nfs/dbraw/zinc/93/60/22/533936022.db2.gz INPNRJFKRXRRQB-OCCSQVGLSA-N 0 0 317.414 2.457 10 30 DEEERN CSc1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1F ZINC000367347077 534136752 /nfs/dbraw/zinc/13/67/52/534136752.db2.gz TUWOFEVCDIZURM-CYBMUJFWSA-N 0 0 319.405 2.360 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](COC)CC1 ZINC000458746978 534317575 /nfs/dbraw/zinc/31/75/75/534317575.db2.gz YOXZFVSQIBCICI-JYJNAYRXSA-N 0 0 310.438 2.426 10 30 DEEERN Cc1nc(CN2CCN(CC#Cc3ccccc3)CC2)oc1C ZINC000191997732 534357749 /nfs/dbraw/zinc/35/77/49/534357749.db2.gz SJVVOOADISQJLP-UHFFFAOYSA-N 0 0 309.413 2.461 10 30 DEEERN C=CC(C)(C)CNC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000458987237 534505282 /nfs/dbraw/zinc/50/52/82/534505282.db2.gz LODVBOKXFRMXAA-CQSZACIVSA-N 0 0 307.438 2.243 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1ccc(CC)c(F)c1 ZINC000453940469 534562786 /nfs/dbraw/zinc/56/27/86/534562786.db2.gz HEHXJZIJVGXYJJ-CABCVRRESA-N 0 0 320.364 2.176 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000451807618 534576512 /nfs/dbraw/zinc/57/65/12/534576512.db2.gz YYTGGCNYFGCQSQ-SJORKVTESA-N 0 0 314.385 2.124 10 30 DEEERN CN(C[C@@H]1CCCO1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000160882578 523047312 /nfs/dbraw/zinc/04/73/12/523047312.db2.gz ORSHCOFYYQEWEP-HNNXBMFYSA-N 0 0 302.374 2.353 10 30 DEEERN CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1CC(=O)N(C)CCC#N ZINC000005413890 523218993 /nfs/dbraw/zinc/21/89/93/523218993.db2.gz OWDPGQZQBIMKGY-ZFWWWQNUSA-N 0 0 305.422 2.033 10 30 DEEERN CC(=O)Nc1ccc(C(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000173895079 534729574 /nfs/dbraw/zinc/72/95/74/534729574.db2.gz ZJLWEPAOOMVOBP-UHFFFAOYSA-N 0 0 323.352 2.325 10 30 DEEERN O=C1[C@@H]([n+]2cccc([O-])c2)CCN1c1ccc(F)c(Cl)c1 ZINC000182242278 534835337 /nfs/dbraw/zinc/83/53/37/534835337.db2.gz SUYIEBWOZCEIPZ-AWEZNQCLSA-O 0 0 307.732 2.450 10 30 DEEERN C[C@@H]1C[C@@H](O)C[C@H](C)N1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000249101679 525281187 /nfs/dbraw/zinc/28/11/87/525281187.db2.gz WHVRQVICLPZMQN-GNXNZQSNSA-N 0 0 321.808 2.384 10 30 DEEERN CC#CCCCC(=O)N[C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000375303898 526300584 /nfs/dbraw/zinc/30/05/84/526300584.db2.gz TWEFHBDMLDLAPY-QGZVFWFLSA-N 0 0 312.413 2.140 10 30 DEEERN CC#CCCNC(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000361644970 526318918 /nfs/dbraw/zinc/31/89/18/526318918.db2.gz QUUKDWUPUMGPPE-UHFFFAOYSA-N 0 0 319.449 2.270 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)Nc1cnc(N(C)C)nc1 ZINC000352828540 526319766 /nfs/dbraw/zinc/31/97/66/526319766.db2.gz NLXXOFBEVAMMOW-UHFFFAOYSA-N 0 0 315.377 2.398 10 30 DEEERN CC#CCNC(=O)C(=O)Nc1cc(Cc2ccccn2)ccc1C ZINC000338828013 526366211 /nfs/dbraw/zinc/36/62/11/526366211.db2.gz KRDJCYSJEUOTHV-UHFFFAOYSA-N 0 0 321.380 2.059 10 30 DEEERN CC#CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000245718593 526375967 /nfs/dbraw/zinc/37/59/67/526375967.db2.gz VLCOUNXMDUZHSI-CABCVRRESA-N 0 0 307.344 2.033 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NCC3(CC)CC3)cc2C1=O ZINC000427354302 526409536 /nfs/dbraw/zinc/40/95/36/526409536.db2.gz IDAHHPAHHDIWTN-UHFFFAOYSA-N 0 0 312.369 2.389 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)[C@H](CC)c2c(C)noc2C)C1=O ZINC000341614741 526464440 /nfs/dbraw/zinc/46/44/40/526464440.db2.gz NTPMUIBEBMQBNH-ZIAGYGMSSA-N 0 0 319.405 2.030 10 30 DEEERN C=C(C)CCc1noc(Cc2nn(C)c(=O)c3ccccc23)n1 ZINC000349787501 526467111 /nfs/dbraw/zinc/46/71/11/526467111.db2.gz SXAYKIBLIFLAHS-UHFFFAOYSA-N 0 0 310.357 2.416 10 30 DEEERN C=CCN1CC[C@@H](N(C)c2ncnc3c(C)csc32)C1=O ZINC000358672470 526473701 /nfs/dbraw/zinc/47/37/01/526473701.db2.gz ZSAVGBNNTISRLD-LLVKDONJSA-N 0 0 302.403 2.223 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)CC2CC(OC(C)(C)C)C2)C1=O ZINC000337069402 526491999 /nfs/dbraw/zinc/49/19/99/526491999.db2.gz MCHYISBILOTJBT-NRXISQOPSA-N 0 0 322.449 2.216 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000192064864 526516931 /nfs/dbraw/zinc/51/69/31/526516931.db2.gz TZDADEVIJKCPEI-GFCCVEGCSA-N 0 0 304.394 2.217 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)C1CCC(=O)CC1 ZINC000342394734 526553500 /nfs/dbraw/zinc/55/35/00/526553500.db2.gz LTFVGWDBWOTGOT-UHFFFAOYSA-N 0 0 305.374 2.436 10 30 DEEERN C=CCNC(=O)CNC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000283128303 526564341 /nfs/dbraw/zinc/56/43/41/526564341.db2.gz NJINECSHHKNTCR-CYBMUJFWSA-N 0 0 316.401 2.047 10 30 DEEERN C=CCNC(=O)Cc1noc(C(C)(C)c2ccccc2F)n1 ZINC000445344828 526580586 /nfs/dbraw/zinc/58/05/86/526580586.db2.gz UUCXSXDCZISODZ-UHFFFAOYSA-N 0 0 303.337 2.379 10 30 DEEERN C=CCNC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000417507666 526620192 /nfs/dbraw/zinc/62/01/92/526620192.db2.gz PANTUVBNKGWKKA-UHFFFAOYSA-N 0 0 311.407 2.071 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1 ZINC000287937127 526675238 /nfs/dbraw/zinc/67/52/38/526675238.db2.gz XAXWIWAUXHTURK-OAHLLOKOSA-N 0 0 316.788 2.036 10 30 DEEERN C=C(C)CS(=O)(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000280641432 526680821 /nfs/dbraw/zinc/68/08/21/526680821.db2.gz UZRXUKBXVCMJHI-IUODEOHRSA-N 0 0 313.394 2.493 10 30 DEEERN CC(=O)N1C[C@H](CCC(=O)NC2(CO)CC2)c2ccccc21 ZINC000329821529 526683483 /nfs/dbraw/zinc/68/34/83/526683483.db2.gz YPMQMIBSKGDTJK-ZDUSSCGKSA-N 0 0 302.374 2.398 10 30 DEEERN C#CCCCCC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000373870839 526690896 /nfs/dbraw/zinc/69/08/96/526690896.db2.gz LTCVERDGGGEFQU-CVEARBPZSA-N 0 0 304.434 2.477 10 30 DEEERN C=CCOCCCC(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000434053863 526731098 /nfs/dbraw/zinc/73/10/98/526731098.db2.gz PQNVDZDHDSHLNC-WCQYABFASA-N 0 0 309.328 2.131 10 30 DEEERN C#CCCNC(=O)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000369286484 526733274 /nfs/dbraw/zinc/73/32/74/526733274.db2.gz VSYBJOSQMWNLMX-INIZCTEOSA-N 0 0 311.385 2.167 10 30 DEEERN C#CCCS(=O)(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000377342482 526746260 /nfs/dbraw/zinc/74/62/60/526746260.db2.gz LBGIREFDKMEWOE-UHFFFAOYSA-N 0 0 319.426 2.243 10 30 DEEERN C=CCOCCNC(=O)N1CC[C@@H](c2ccccc2OC)C1 ZINC000375828064 526777506 /nfs/dbraw/zinc/77/75/06/526777506.db2.gz ATLIYIVUDXTWCU-CQSZACIVSA-N 0 0 304.390 2.397 10 30 DEEERN C#CCN(C)C(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000191152836 526796895 /nfs/dbraw/zinc/79/68/95/526796895.db2.gz SPZKMKHPVXNAIH-AWEZNQCLSA-N 0 0 306.793 2.186 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CC(CO)(c2ccccc2)C1)OCC ZINC000412773222 526805599 /nfs/dbraw/zinc/80/55/99/526805599.db2.gz LQFHIQGVBNHBKP-INIZCTEOSA-N 0 0 303.402 2.130 10 30 DEEERN C=CCOC[C@H]1NC(=O)N([C@H](C)c2c(F)cccc2OC)C1=O ZINC000348575998 526815296 /nfs/dbraw/zinc/81/52/96/526815296.db2.gz SAXICNXFOWHLGS-ZYHUDNBSSA-N 0 0 322.336 2.018 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1CC[C@]12CCOC2 ZINC000422066464 526827167 /nfs/dbraw/zinc/82/71/67/526827167.db2.gz HUENHQKRCRIFMG-QGZVFWFLSA-N 0 0 303.358 2.265 10 30 DEEERN C=C(CC)CN1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000347482369 526854355 /nfs/dbraw/zinc/85/43/55/526854355.db2.gz UUAHZPQFSZOLSZ-HUUCEWRRSA-N 0 0 300.402 2.462 10 30 DEEERN C=C(CNC(=O)N(CCOC)[C@H]1CCOC1)c1ccccc1 ZINC000358566743 526866227 /nfs/dbraw/zinc/86/62/27/526866227.db2.gz BVACJCDECBWYCQ-INIZCTEOSA-N 0 0 304.390 2.147 10 30 DEEERN C=CCOc1ccc(CNC(=O)N2CCNC[C@](C)(F)C2)cc1 ZINC000418171959 526876754 /nfs/dbraw/zinc/87/67/54/526876754.db2.gz VYKACXNPQKINKK-KRWDZBQOSA-N 0 0 321.396 2.094 10 30 DEEERN CC(C)(CCC#N)CN1CCn2c(nnc2-c2cccnc2)C1 ZINC000375846079 526985570 /nfs/dbraw/zinc/98/55/70/526985570.db2.gz ZZKLPVVPXKXRIG-UHFFFAOYSA-N 0 0 310.405 2.486 10 30 DEEERN C=CCSc1ccccc1C(=O)N1CCO[C@H]([C@@H](C)O)C1 ZINC000412935902 527009004 /nfs/dbraw/zinc/00/90/04/527009004.db2.gz XQSPRSJICUUNQQ-OCCSQVGLSA-N 0 0 307.415 2.187 10 30 DEEERN C=CCC(C)(C)CNC(=O)c1sc(S(N)(=O)=O)cc1C ZINC000352540447 527018303 /nfs/dbraw/zinc/01/83/03/527018303.db2.gz LFDQYAAXXKBMOZ-UHFFFAOYSA-N 0 0 316.448 2.036 10 30 DEEERN C=CC[C@@H](CC)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000374156697 527049134 /nfs/dbraw/zinc/04/91/34/527049134.db2.gz DBSNCZLGYSOGFE-HIFRSBDPSA-N 0 0 316.401 2.468 10 30 DEEERN C=CCC1(C(=O)NC[C@H]2Cc3ccccc3O2)CCOCC1 ZINC000424584665 527055423 /nfs/dbraw/zinc/05/54/23/527055423.db2.gz PROVTMAKSXNOMK-OAHLLOKOSA-N 0 0 301.386 2.479 10 30 DEEERN C=CCC1(C(=O)N[C@H]2CCCn3nc(COC)nc32)CCC1 ZINC000191924953 527059348 /nfs/dbraw/zinc/05/93/48/527059348.db2.gz YQKOKPJTTKFKII-LBPRGKRZSA-N 0 0 304.394 2.122 10 30 DEEERN C=CCCC(=O)N1CCC(n2ncc(C(=O)OCC)c2C)CC1 ZINC000376038910 527068453 /nfs/dbraw/zinc/06/84/53/527068453.db2.gz ZODNHQZIQUNBRZ-UHFFFAOYSA-N 0 0 319.405 2.498 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1cccc(Br)c1C ZINC000190225170 527088647 /nfs/dbraw/zinc/08/86/47/527088647.db2.gz GSKXXTSPEMQOJN-LBPRGKRZSA-N 0 0 312.207 2.353 10 30 DEEERN C#CCOc1cccc(NC(=O)N[C@H](CC)[C@@H](O)C(F)F)c1 ZINC000296681474 527124426 /nfs/dbraw/zinc/12/44/26/527124426.db2.gz PRUZBYDUUMXDJS-CHWSQXEVSA-N 0 0 312.316 2.225 10 30 DEEERN C=CCCCCNC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000368412495 527146466 /nfs/dbraw/zinc/14/64/66/527146466.db2.gz PRQHOBZYPHGOFS-UHFFFAOYSA-N 0 0 321.421 2.056 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000281472922 527148447 /nfs/dbraw/zinc/14/84/47/527148447.db2.gz UWQVIKHAYXTGDM-HNNXBMFYSA-N 0 0 313.405 2.140 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1cnn(CC)c1 ZINC000287581290 527161075 /nfs/dbraw/zinc/16/10/75/527161075.db2.gz XXDVELPRMCSCKG-KRWDZBQOSA-N 0 0 310.401 2.337 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](COC)C1CC1 ZINC000286816838 527162411 /nfs/dbraw/zinc/16/24/11/527162411.db2.gz URGVHUMVKGEOCP-DLBZAZTESA-N 0 0 300.402 2.345 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCCO1 ZINC000286939632 527172541 /nfs/dbraw/zinc/17/25/41/527172541.db2.gz HIWFBDSYNOAMPM-SJORKVTESA-N 0 0 300.402 2.489 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000410540823 527172775 /nfs/dbraw/zinc/17/27/75/527172775.db2.gz GNKGUVJTXMRXJU-AWEZNQCLSA-N 0 0 318.417 2.206 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(CCc1nccs1)C(C)C ZINC000410824135 527173567 /nfs/dbraw/zinc/17/35/67/527173567.db2.gz SISHSXUULUPCJH-UHFFFAOYSA-N 0 0 323.462 2.347 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(CCOC)[C@@H]1CC[C@H](C)C1 ZINC000410932764 527174422 /nfs/dbraw/zinc/17/44/22/527174422.db2.gz YZFGUNNHXHWHMF-LSDHHAIUSA-N 0 0 310.438 2.075 10 30 DEEERN C#CC[C@H](NC(=O)N[C@@H](CC)[C@H](O)C(F)F)c1ccccc1 ZINC000297179240 527174349 /nfs/dbraw/zinc/17/43/49/527174349.db2.gz FMTPTCRTUZJJDH-IHRRRGAJSA-N 0 0 310.344 2.455 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000410686465 527175612 /nfs/dbraw/zinc/17/56/12/527175612.db2.gz GYRMJEVWWWSNJD-LLDVTBCESA-N 0 0 302.418 2.082 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21 ZINC000341886595 527186801 /nfs/dbraw/zinc/18/68/01/527186801.db2.gz JZJOXLWFUCCCHC-ARFHVFGLSA-N 0 0 307.438 2.241 10 30 DEEERN C=CCCCN(C)C(=O)c1nccnc1NC(=O)C(C)(C)C ZINC000361712255 527190733 /nfs/dbraw/zinc/19/07/33/527190733.db2.gz ABAZLSJQBGROMY-UHFFFAOYSA-N 0 0 304.394 2.499 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCN(CC)c1cccc(C)c1 ZINC000182833169 527195316 /nfs/dbraw/zinc/19/53/16/527195316.db2.gz XKQJODKHBLZGMS-OAHLLOKOSA-N 0 0 305.422 2.058 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCOc1ccccc1C(C)C ZINC000183417332 527196347 /nfs/dbraw/zinc/19/63/47/527196347.db2.gz XVGJYHSLHKOCTI-CQSZACIVSA-N 0 0 306.406 2.425 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000248692907 527199967 /nfs/dbraw/zinc/19/99/67/527199967.db2.gz YEHJQQQSKBHZEI-DJIMGWMZSA-N 0 0 318.417 2.391 10 30 DEEERN C=CCCCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000448030322 527217187 /nfs/dbraw/zinc/21/71/87/527217187.db2.gz LKAIBHFJZJGZFU-UHFFFAOYSA-N 0 0 307.354 2.104 10 30 DEEERN C=CCCCNC(=O)NCCCS(=O)(=O)c1ccccc1 ZINC000447984971 527220547 /nfs/dbraw/zinc/22/05/47/527220547.db2.gz CEDVNOZHEVGIJB-UHFFFAOYSA-N 0 0 310.419 2.116 10 30 DEEERN C=CCCCNC(=O)N[C@@H]1CCCN(c2cc(CC)ncn2)C1 ZINC000448027682 527221454 /nfs/dbraw/zinc/22/14/54/527221454.db2.gz APQNLILNYSAPKQ-OAHLLOKOSA-N 0 0 317.437 2.273 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)Nc1cnc(C)nc1C1CC1 ZINC000411347172 527284212 /nfs/dbraw/zinc/28/42/12/527284212.db2.gz FHXUFJSUWHHXGB-NSHDSACASA-N 0 0 316.405 2.462 10 30 DEEERN C=CCn1c(C)cc(C(=O)Cn2cnn(C(C)(C)C)c2=O)c1C ZINC000159619771 527297251 /nfs/dbraw/zinc/29/72/51/527297251.db2.gz XWUZNQLBAMCYGD-UHFFFAOYSA-N 0 0 316.405 2.287 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N1CCO[C@@H](C)C1 ZINC000337898411 527319747 /nfs/dbraw/zinc/31/97/47/527319747.db2.gz GKFYGZMJGCAZKH-ZDUSSCGKSA-N 0 0 302.378 2.067 10 30 DEEERN C=CCCOCCCCC(=O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000343047791 527329734 /nfs/dbraw/zinc/32/97/34/527329734.db2.gz YLXOOTUXUOHAPU-HOTGVXAUSA-N 0 0 322.449 2.267 10 30 DEEERN C=CCCOCCCCC(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000343047792 527330517 /nfs/dbraw/zinc/33/05/17/527330517.db2.gz YLXOOTUXUOHAPU-HZPDHXFCSA-N 0 0 322.449 2.267 10 30 DEEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)CCOC ZINC000337907287 527352848 /nfs/dbraw/zinc/35/28/48/527352848.db2.gz NOLIJBWVOZOYGS-HNNXBMFYSA-N 0 0 314.389 2.223 10 30 DEEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N(C)CCOC ZINC000337907288 527360583 /nfs/dbraw/zinc/36/05/83/527360583.db2.gz NOLIJBWVOZOYGS-OAHLLOKOSA-N 0 0 314.389 2.223 10 30 DEEERN C=CCCOCCNC(=O)[C@@H](C)Cn1ncc2ccccc21 ZINC000341432322 527361561 /nfs/dbraw/zinc/36/15/61/527361561.db2.gz MJGSFSOAZOZFRV-AWEZNQCLSA-N 0 0 301.390 2.381 10 30 DEEERN C=C[C@@H](CC(=O)N(C)C[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000340219486 527419194 /nfs/dbraw/zinc/41/91/94/527419194.db2.gz VZMVRVWBLWAPAS-CABCVRRESA-N 0 0 321.442 2.239 10 30 DEEERN C#Cc1cc(F)c(NC(=O)C(=O)N2CCCC2(C)C)c(F)c1 ZINC000282809538 527432340 /nfs/dbraw/zinc/43/23/40/527432340.db2.gz HXWZQZFMCBQEMQ-UHFFFAOYSA-N 0 0 306.312 2.286 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CC=C(c3ccnn3C)CC2)cc1 ZINC000296741485 527435764 /nfs/dbraw/zinc/43/57/64/527435764.db2.gz KNCSJHBQSWBHIY-UHFFFAOYSA-N 0 0 320.396 2.400 10 30 DEEERN C#Cc1ccccc1CC(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000368240869 527464989 /nfs/dbraw/zinc/46/49/89/527464989.db2.gz DXJDTZHLHHTFHQ-UHFFFAOYSA-N 0 0 323.381 2.399 10 30 DEEERN C=CCC[C@H](NC(=O)N1CC(NC(C)=O)C1)c1ccccc1 ZINC000190280905 527476894 /nfs/dbraw/zinc/47/68/94/527476894.db2.gz AXULNKWHRUUTEY-INIZCTEOSA-N 0 0 301.390 2.224 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000448915353 527482743 /nfs/dbraw/zinc/48/27/43/527482743.db2.gz WZXSDGDYWSPHDF-BARDWOONSA-N 0 0 311.447 2.091 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]1CCC(C)C ZINC000425908467 527491554 /nfs/dbraw/zinc/49/15/54/527491554.db2.gz IAILVGKYHWQIES-JYJNAYRXSA-N 0 0 322.449 2.121 10 30 DEEERN C=CCC[C@H]1NC(=O)N(Cc2ccn(Cc3ccccc3)n2)C1=O ZINC000419933158 527496512 /nfs/dbraw/zinc/49/65/12/527496512.db2.gz AMZVBUDXTKKVIC-MRXNPFEDSA-N 0 0 324.384 2.318 10 30 DEEERN C/C(=C\C(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1cccc(F)c1 ZINC000370974583 527512874 /nfs/dbraw/zinc/51/28/74/527512874.db2.gz UTMLLUZWMAPRGN-JZUUQJBKSA-N 0 0 313.376 2.428 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000438265210 527529434 /nfs/dbraw/zinc/52/94/34/527529434.db2.gz BWEFMPQSGBZYIJ-INIZCTEOSA-N 0 0 319.361 2.103 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccnnc1C ZINC000411221390 527594403 /nfs/dbraw/zinc/59/44/03/527594403.db2.gz AFQLQPRFVXCIMS-UHFFFAOYSA-N 0 0 316.405 2.318 10 30 DEEERN O=C(/C=C/[C@H]1[C@H](O)C[C@@H]2OC(=O)C[C@H]12)CCc1ccccc1 ZINC000035322637 527600315 /nfs/dbraw/zinc/60/03/15/527600315.db2.gz DXHLFWCSZHEXLL-CTOAQQQNSA-N 0 0 300.354 2.057 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N[C@@H](C)c1ccccc1OC ZINC000339602968 527601858 /nfs/dbraw/zinc/60/18/58/527601858.db2.gz DBPIRGRVUKTODI-ZDUSSCGKSA-N 0 0 302.374 2.073 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000290223556 527627045 /nfs/dbraw/zinc/62/70/45/527627045.db2.gz KELNKNJOFXVXBM-SFHVURJKSA-N 0 0 314.385 2.255 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000289973915 527629442 /nfs/dbraw/zinc/62/94/42/527629442.db2.gz FXMPBOBAIZAOFT-NUTKFTJISA-N 0 0 307.365 2.441 10 30 DEEERN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000408340227 527641013 /nfs/dbraw/zinc/64/10/13/527641013.db2.gz UORULPFSWAHKMB-BFHYXJOUSA-N 0 0 305.422 2.222 10 30 DEEERN C=CCN(CCC#N)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000428851805 527659014 /nfs/dbraw/zinc/65/90/14/527659014.db2.gz SUKCCGNDLMCKGM-LBPRGKRZSA-N 0 0 303.328 2.189 10 30 DEEERN CCN(CCC#N)C(=O)CN1CCC[C@H]1c1noc(C(C)C)n1 ZINC000195375485 528358950 /nfs/dbraw/zinc/35/89/50/528358950.db2.gz POHLCRAHZFXNEK-ZDUSSCGKSA-N 0 0 319.409 2.092 10 30 DEEERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000407980765 528410745 /nfs/dbraw/zinc/41/07/45/528410745.db2.gz NYALTZLBJVBUMW-CQSZACIVSA-N 0 0 319.449 2.470 10 30 DEEERN CC(C)C[C@H](C)OCCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000372695350 528482871 /nfs/dbraw/zinc/48/28/71/528482871.db2.gz WYSYLDHFOBFJNU-HOCLYGCPSA-N 0 0 307.438 2.026 10 30 DEEERN CC1(C)C(=O)NC(=O)N1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000329558457 528876454 /nfs/dbraw/zinc/87/64/54/528876454.db2.gz LMMODZSXZGSPGN-UHFFFAOYSA-N 0 0 319.317 2.043 10 30 DEEERN CCC1(CC)CN(c2nc3ccccn3c2C#N)CC[S@]1=O ZINC000302231824 529087289 /nfs/dbraw/zinc/08/72/89/529087289.db2.gz YCSGKFOYNGKLRC-QFIPXVFZSA-N 0 0 316.430 2.333 10 30 DEEERN CC(C)NC(=O)[C@@H](C)NC(=O)c1coc(Br)c1 ZINC000330738519 529139805 /nfs/dbraw/zinc/13/98/05/529139805.db2.gz NRPKGMXAOSYLLI-SSDOTTSWSA-N 0 0 303.156 2.260 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)/C=C/c1ccccc1C#N ZINC000248865042 536548756 /nfs/dbraw/zinc/54/87/56/536548756.db2.gz STVLRCAWFXKGIK-PWAWFGKHSA-N 0 0 324.380 2.372 10 30 DEEERN COc1cccc(OCCCNC(=O)c2ccc(C#N)n2C)c1 ZINC000449899877 537134611 /nfs/dbraw/zinc/13/46/11/537134611.db2.gz CMWXMQFGVDHBDY-UHFFFAOYSA-N 0 0 313.357 2.104 10 30 DEEERN CC(C)CC(=O)N[C@H](C(=O)[C@H](C#N)c1ccccn1)C(C)C ZINC000049457473 622567645 /nfs/dbraw/zinc/56/76/45/622567645.db2.gz JZSKMRWNJVQPIS-CJNGLKHVSA-N 0 0 301.390 2.445 10 30 DEEERN COCCCNC(=O)C(C#N)=C(O)C(C)=Cc1ccc(F)cc1 ZINC000255009314 622949993 /nfs/dbraw/zinc/94/99/93/622949993.db2.gz MSDQZWYJVXPJBI-WQTVUKCASA-N 0 0 318.348 2.091 10 30 DEEERN C#CC[C@H](Cc1ccccc1)Nc1ccc(C(=O)NCC)nn1 ZINC000804810679 623251989 /nfs/dbraw/zinc/25/19/89/623251989.db2.gz YLXZWZMJWHSBAM-OAHLLOKOSA-N 0 0 308.385 2.273 10 30 DEEERN COc1ccccc1[C@H](O)CNC(=O)/C=C\c1ccccc1C#N ZINC000255072586 623374678 /nfs/dbraw/zinc/37/46/78/623374678.db2.gz TXOXXXVGHSXUOG-QXPKXGMISA-N 0 0 322.364 2.430 10 30 DEEERN CN(CC#N)C(=O)c1ccc(F)cc1NC(=O)c1ccoc1 ZINC000725712968 623965592 /nfs/dbraw/zinc/96/55/92/623965592.db2.gz KRPRGAPIQYUMPY-UHFFFAOYSA-N 0 0 301.277 2.267 10 30 DEEERN CCc1nc(C#N)cc(NCCCNC(=O)OC(C)(C)C)n1 ZINC000308275097 624166499 /nfs/dbraw/zinc/16/64/99/624166499.db2.gz LAYXFEKZXHFTNZ-UHFFFAOYSA-N 0 0 305.382 2.237 10 30 DEEERN C#CCN1CCN(C(=O)/C=C\c2ccnc3ccccc23)CC1 ZINC000255437574 624725758 /nfs/dbraw/zinc/72/57/58/624725758.db2.gz ZUTMHNWBKUHJET-FPLPWBNLSA-N 0 0 305.381 2.025 10 30 DEEERN Cc1cc(C#N)nc(N[C@H]2CCO[C@@H]2c2cnn(CC3CC3)c2)n1 ZINC000888078988 625060253 /nfs/dbraw/zinc/06/02/53/625060253.db2.gz SGGIIWPURMVBPA-JKSUJKDBSA-N 0 0 324.388 2.205 10 30 DEEERN CN1CC[C@H](C(=O)OCC#Cc2ccc(Cl)cc2)CC1=O ZINC000177897511 625105044 /nfs/dbraw/zinc/10/50/44/625105044.db2.gz YLWRCIGZZVBHGJ-ZDUSSCGKSA-N 0 0 305.761 2.103 10 30 DEEERN C#CCCCCNC(=O)CNC(=O)c1cc2c(s1)CCCC2 ZINC000155884965 625143454 /nfs/dbraw/zinc/14/34/54/625143454.db2.gz ANIHQBSHVXEHCM-UHFFFAOYSA-N 0 0 318.442 2.276 10 30 DEEERN CCCCCCCS(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000195315242 625786299 /nfs/dbraw/zinc/78/62/99/625786299.db2.gz OWMUMMWPNILMAG-NSHDSACASA-N 0 0 317.373 2.286 10 30 DEEERN CCOC(=O)[C@@H](C)OC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000733460188 633197072 /nfs/dbraw/zinc/19/70/72/633197072.db2.gz JRAMJRIFQVGSOV-IUODEOHRSA-N 0 0 319.357 2.456 10 30 DEEERN C#CCCNC(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000733632638 633247717 /nfs/dbraw/zinc/24/77/17/633247717.db2.gz JCOKSACKOUPMDL-UHFFFAOYSA-N 0 0 304.350 2.413 10 30 DEEERN C=C(COC(=O)Cc1ccc(-n2cccn2)cc1)C(=O)OCC ZINC000734026358 633311899 /nfs/dbraw/zinc/31/18/99/633311899.db2.gz CFIXJYHZCSZLST-UHFFFAOYSA-N 0 0 314.341 2.077 10 30 DEEERN C=C(COC(=O)c1cc2c(c(OC)c1)O[C@H](C)C2)C(=O)OCC ZINC000734027612 633313089 /nfs/dbraw/zinc/31/30/89/633313089.db2.gz ZOONVIVDORFHGY-LLVKDONJSA-N 0 0 320.341 2.295 10 30 DEEERN C=C(COC(=O)c1cnc2onc(CC)c2c1)C(=O)OCC ZINC000734031575 633313566 /nfs/dbraw/zinc/31/35/66/633313566.db2.gz WPSYERUWBIVJDV-UHFFFAOYSA-N 0 0 304.302 2.061 10 30 DEEERN C=C(COC(=O)/C=C/c1ccc(OC)c(OC)c1)C(=O)OCC ZINC000734024419 633317030 /nfs/dbraw/zinc/31/70/30/633317030.db2.gz LBOHWBFXZNKPQQ-VQHVLOKHSA-N 0 0 320.341 2.380 10 30 DEEERN C=C(COC(=O)c1ccc(-n2cccn2)cc1)C(=O)OCC ZINC000734025276 633317980 /nfs/dbraw/zinc/31/79/80/633317980.db2.gz JDHLDERBUALWGB-UHFFFAOYSA-N 0 0 300.314 2.148 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N(C)Cc1cc(C)on1 ZINC000734171815 633339277 /nfs/dbraw/zinc/33/92/77/633339277.db2.gz MCKDAIOCGQUCKG-UHFFFAOYSA-N 0 0 313.357 2.337 10 30 DEEERN N#C[C@H]1CN(C(=O)C[C@@H]2CCc3ccccc32)CCN1C1CC1 ZINC000734393828 633366697 /nfs/dbraw/zinc/36/66/97/633366697.db2.gz WFRHCPABCFKYJP-RDJZCZTQSA-N 0 0 309.413 2.305 10 30 DEEERN Cc1ccccc1SCC(=O)[C@@H](C#N)C(=O)N1CCCC1 ZINC000124461936 633386742 /nfs/dbraw/zinc/38/67/42/633386742.db2.gz NGTBZTRQWYKREL-CYBMUJFWSA-N 0 0 302.399 2.418 10 30 DEEERN N#C[C@@H](C(=O)CCCOc1ccccc1)C(=O)N1CCCC1 ZINC000124684781 633408303 /nfs/dbraw/zinc/40/83/03/633408303.db2.gz VSWPCOKHUGLGCU-HNNXBMFYSA-N 0 0 300.358 2.177 10 30 DEEERN C=CCCCN(C)Cn1nnc(-c2ccc(OC)c(OC)c2)n1 ZINC000736582650 633660990 /nfs/dbraw/zinc/66/09/90/633660990.db2.gz JKZXYJGHZIUWEB-UHFFFAOYSA-N 0 0 317.393 2.213 10 30 DEEERN C=C(C)CNC(=S)N[C@H](c1nnc2ccccn21)C(C)C ZINC000726131093 636411373 /nfs/dbraw/zinc/41/13/73/636411373.db2.gz QWBDXFASHCEGTF-ZDUSSCGKSA-N 0 0 303.435 2.467 10 30 DEEERN C#CCCCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000186936672 636627023 /nfs/dbraw/zinc/62/70/23/636627023.db2.gz OFHMIFDGYUJLMT-KBPBESRZSA-N 0 0 323.437 2.345 10 30 DEEERN CC(C)C[C@](C)(C#N)NC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000737823602 637367513 /nfs/dbraw/zinc/36/75/13/637367513.db2.gz UBFARIJDZHCZSF-MRXNPFEDSA-N 0 0 315.352 2.465 10 30 DEEERN COC(=O)c1ccc2c(cnn2CN(CCC#N)C(C)C)c1 ZINC000739841690 637723020 /nfs/dbraw/zinc/72/30/20/637723020.db2.gz OGUBSMGREHFISB-UHFFFAOYSA-N 0 0 300.362 2.404 10 30 DEEERN C=CCn1nnn(CN(C[C@H]2CCCO2)C2CCCC2)c1=S ZINC000742167471 638040252 /nfs/dbraw/zinc/04/02/52/638040252.db2.gz VJDHHUJIKHHXHK-CQSZACIVSA-N 0 0 323.466 2.376 10 30 DEEERN Cc1cccc(F)c1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000743676492 638166810 /nfs/dbraw/zinc/16/68/10/638166810.db2.gz NYPMRSGBSKJIIJ-CQSZACIVSA-N 0 0 316.380 2.016 10 30 DEEERN CC#CCOC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000744778406 638245380 /nfs/dbraw/zinc/24/53/80/638245380.db2.gz DCWLVUKNROZFAH-OAHLLOKOSA-N 0 0 317.360 2.173 10 30 DEEERN C=CCNC(=O)COC(=O)c1ncoc1-c1ccccc1Cl ZINC000745405905 638263188 /nfs/dbraw/zinc/26/31/88/638263188.db2.gz SCIQGIJLJIFNLV-UHFFFAOYSA-N 0 0 320.732 2.454 10 30 DEEERN Cc1ccc2[nH]c(CN=Cc3c(CO)cnc(C)c3O)nc2c1 ZINC000745977642 638301983 /nfs/dbraw/zinc/30/19/83/638301983.db2.gz ZDWPXEQQUOEJFQ-CNHKJKLMSA-N 0 0 310.357 2.392 10 30 DEEERN COCCc1nsc(NCc2ccc(OC)c(C#N)c2)n1 ZINC000746704624 638371452 /nfs/dbraw/zinc/37/14/52/638371452.db2.gz DXKHQXUTKZDYAE-UHFFFAOYSA-N 0 0 304.375 2.219 10 30 DEEERN COc1ccc(CNC(=O)NC[C@@H]2CCCS2)cc1C#N ZINC000746748051 638374391 /nfs/dbraw/zinc/37/43/91/638374391.db2.gz NHNIADYXHDJSLC-ZDUSSCGKSA-N 0 0 305.403 2.262 10 30 DEEERN C=CCNC(=O)[C@@H](C)OC(=O)c1cc(N)cc(Cl)c1Cl ZINC000747022806 638399512 /nfs/dbraw/zinc/39/95/12/638399512.db2.gz QFJLQJVRGZHILT-SSDOTTSWSA-N 0 0 317.172 2.423 10 30 DEEERN CC(=O)N1CSC[C@H]1C(=O)OCC#Cc1ccccc1Cl ZINC000747050358 638402646 /nfs/dbraw/zinc/40/26/46/638402646.db2.gz LVANGJQAOXHERO-AWEZNQCLSA-N 0 0 323.801 2.156 10 30 DEEERN CC/C(=C/C(=O)OCC(=O)NCCC#N)c1ccc(OC)cc1 ZINC000747129076 638410202 /nfs/dbraw/zinc/41/02/02/638410202.db2.gz IVCATRAQDYXIIY-QBFSEMIESA-N 0 0 316.357 2.062 10 30 DEEERN COc1ccc(CNC(=O)NCCc2ccncc2)cc1C#N ZINC000747418750 638435691 /nfs/dbraw/zinc/43/56/91/638435691.db2.gz FNCUJFMHGABCGQ-UHFFFAOYSA-N 0 0 310.357 2.004 10 30 DEEERN COc1ccc(CNC(=O)C(=O)Nc2ccccc2C)cc1C#N ZINC000747495451 638443344 /nfs/dbraw/zinc/44/33/44/638443344.db2.gz NNBZAEUUIBJUGR-UHFFFAOYSA-N 0 0 323.352 2.130 10 30 DEEERN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@@H](C#N)C2CC2)c1 ZINC000747785756 638477176 /nfs/dbraw/zinc/47/71/76/638477176.db2.gz HGTWSYLMHRDCLQ-HNNXBMFYSA-N 0 0 315.329 2.062 10 30 DEEERN CN(CC(F)F)C1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000749405623 638645481 /nfs/dbraw/zinc/64/54/81/638645481.db2.gz KKICQNDFXJEROK-UHFFFAOYSA-N 0 0 321.371 2.289 10 30 DEEERN C#Cc1ccc(C(=O)N(C)Cc2cn(C)nc2C(F)(F)F)nc1 ZINC000749868519 638688234 /nfs/dbraw/zinc/68/82/34/638688234.db2.gz FZWLPXKRXGUMOS-UHFFFAOYSA-N 0 0 322.290 2.087 10 30 DEEERN CCC(C)(C)NC(=O)[C@H](C)OC(=O)Cc1cccc(C#N)c1 ZINC000750434154 638745160 /nfs/dbraw/zinc/74/51/60/638745160.db2.gz OMQFIDMZXPNKGQ-LBPRGKRZSA-N 0 0 302.374 2.337 10 30 DEEERN COc1cccc(/C(C)=C\C(=O)NC2CCN(CC#N)CC2)c1 ZINC000751269313 639069669 /nfs/dbraw/zinc/06/96/69/639069669.db2.gz AOSNXFZOZNTDEJ-OWBHPGMISA-N 0 0 313.401 2.203 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)o1 ZINC000805103325 639697575 /nfs/dbraw/zinc/69/75/75/639697575.db2.gz GGKSKAGYOBAMGH-CQSZACIVSA-N 0 0 314.366 2.064 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C ZINC000805146265 639839733 /nfs/dbraw/zinc/83/97/33/639839733.db2.gz AMVRLTRROJZJHQ-CYBMUJFWSA-N 0 0 310.375 2.229 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCO2)C(C)(C)C ZINC000805146829 639840956 /nfs/dbraw/zinc/84/09/56/639840956.db2.gz MZDRUTDOFYZMGF-OAHLLOKOSA-N 0 0 307.415 2.338 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1cccc(C)c1C(=O)OC)C(C)(C)C ZINC000805147424 639841927 /nfs/dbraw/zinc/84/19/27/639841927.db2.gz XFNLYXVEWWVTHH-ZDUSSCGKSA-N 0 0 323.414 2.108 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1cnc(Cl)c(OC)c1)C(C)(C)C ZINC000805147238 639842089 /nfs/dbraw/zinc/84/20/89/639842089.db2.gz UNEQODWBJZDVLP-NSHDSACASA-N 0 0 316.810 2.070 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1C)C(C)(C)C ZINC000805148419 639848459 /nfs/dbraw/zinc/84/84/59/639848459.db2.gz BBYVOUGCCLWTOD-AWEZNQCLSA-N 0 0 323.414 2.108 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1cccc(C(=O)OC)c1C)C(C)(C)C ZINC000805148823 639848633 /nfs/dbraw/zinc/84/86/33/639848633.db2.gz NOLTWOVRBWEBMX-CQSZACIVSA-N 0 0 323.414 2.108 10 30 DEEERN COc1cnccc1[C@H](C)NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000189696865 640058364 /nfs/dbraw/zinc/05/83/64/640058364.db2.gz LNWBCYTZGDJWKL-LBPRGKRZSA-N 0 0 324.336 2.048 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NOCc1cccnc1 ZINC000805222486 640295107 /nfs/dbraw/zinc/29/51/07/640295107.db2.gz CRFSLOHUKFXTNM-KRWDZBQOSA-N 0 0 309.369 2.447 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCC[C@H]1CCOC1 ZINC000805279398 640600225 /nfs/dbraw/zinc/60/02/25/640600225.db2.gz JJXSTVOBISKONX-DLBZAZTESA-N 0 0 300.402 2.347 10 30 DEEERN C=CCNc1nc(C(=O)O[C@@H](C(=O)N(C)C)C(C)C)cs1 ZINC000729701502 640830549 /nfs/dbraw/zinc/83/05/49/640830549.db2.gz UDOMDHFURDZCHD-LLVKDONJSA-N 0 0 311.407 2.011 10 30 DEEERN C#CC[C@H](OC(=O)c1cccc(CN2CCOCC2)c1)C1CC1 ZINC000805892129 643739054 /nfs/dbraw/zinc/73/90/54/643739054.db2.gz ANKYSLFSKXFXAF-SFHVURJKSA-N 0 0 313.397 2.478 10 30 DEEERN N#C[C@H]1CN(C(=O)Cc2ccc(Cl)s2)CCN1C1CC1 ZINC000800888165 645316693 /nfs/dbraw/zinc/31/66/93/645316693.db2.gz RQZPBVLESOAKLC-NSHDSACASA-N 0 0 309.822 2.143 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1cc(Cc2ccccn2)ccc1C ZINC000802555412 645534022 /nfs/dbraw/zinc/53/40/22/645534022.db2.gz NKUVLOQGVQTTHB-UHFFFAOYSA-N 0 0 321.380 2.059 10 30 DEEERN C#C[C@@H](C)Oc1ccc(COC(=O)[C@@]2(C)CCC(=O)NC2)cc1 ZINC000802811758 645563075 /nfs/dbraw/zinc/56/30/75/645563075.db2.gz OQGAXQHREYKJHJ-ACJLOTCBSA-N 0 0 315.369 2.047 10 30 DEEERN C=CCOCCNC(=O)[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000803086932 645603784 /nfs/dbraw/zinc/60/37/84/645603784.db2.gz VQXQMOGQYGVBOI-GFCCVEGCSA-N 0 0 303.280 2.058 10 30 DEEERN N#Cc1ccc(C(=O)NCC(=O)OC[C@@H]2Cc3ccccc32)cc1 ZINC000803334811 645636293 /nfs/dbraw/zinc/63/62/93/645636293.db2.gz OBCSUZHNWXVKIS-INIZCTEOSA-N 0 0 320.348 2.171 10 30 DEEERN C#CCC1(C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)CCCCC1 ZINC000803568734 645672421 /nfs/dbraw/zinc/67/24/21/645672421.db2.gz AALKBGIYLBOPAS-CABCVRRESA-N 0 0 309.450 2.234 10 30 DEEERN C#Cc1cncc(C(=O)NCc2ccn(Cc3ccccc3)n2)c1 ZINC000803666688 645679376 /nfs/dbraw/zinc/67/93/76/645679376.db2.gz JKIQGPRVXHXURR-UHFFFAOYSA-N 0 0 316.364 2.238 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1noc(-c2scnc2C)n1 ZINC000803697387 645681055 /nfs/dbraw/zinc/68/10/55/645681055.db2.gz CMYOPRJIGUZYDW-UHFFFAOYSA-N 0 0 315.354 2.208 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000803698603 645681537 /nfs/dbraw/zinc/68/15/37/645681537.db2.gz CMFYVRMKDGDCFG-OAHLLOKOSA-N 0 0 311.381 2.240 10 30 DEEERN C#CCC(CC#C)C(=O)OC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000803698898 645681715 /nfs/dbraw/zinc/68/17/15/645681715.db2.gz IBTPGLJFWQVUCQ-AWEZNQCLSA-N 0 0 319.401 2.449 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)NCC1(c2ccccc2)CC1 ZINC000803699251 645681842 /nfs/dbraw/zinc/68/18/42/645681842.db2.gz WXNYVNRCPYVQRX-UHFFFAOYSA-N 0 0 323.392 2.040 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1csc(C(=O)OCC)n1 ZINC000803698279 645681912 /nfs/dbraw/zinc/68/19/12/645681912.db2.gz LBEGKORRQLGAGV-UHFFFAOYSA-N 0 0 305.355 2.026 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000803700685 645682837 /nfs/dbraw/zinc/68/28/37/645682837.db2.gz ZAUQODDOVOKZSO-IBGZPJMESA-N 0 0 323.392 2.460 10 30 DEEERN CC(C)[C@H](OC(=O)c1cc(C#N)ccc1Cl)C(=O)N(C)C ZINC000803834908 645702589 /nfs/dbraw/zinc/70/25/89/645702589.db2.gz WVWHSSVUQSBFKK-ZDUSSCGKSA-N 0 0 308.765 2.481 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCCC(=O)NC(C)C ZINC000804455389 645774040 /nfs/dbraw/zinc/77/40/40/645774040.db2.gz HHKOKXIXYWSBJH-KRWDZBQOSA-N 0 0 314.429 2.432 10 30 DEEERN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000121558348 651049455 /nfs/dbraw/zinc/04/94/55/651049455.db2.gz DQOZOSZOBMTRIP-ZOWXZIJZSA-N 0 0 316.357 2.300 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCN(c2ncc(CC)s2)CC1 ZINC000806942048 645892763 /nfs/dbraw/zinc/89/27/63/645892763.db2.gz SWBLLGWUTGJCQC-UHFFFAOYSA-N 0 0 315.442 2.017 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000807189248 645921807 /nfs/dbraw/zinc/92/18/07/645921807.db2.gz SEIOWGWFKBBEFP-OAHLLOKOSA-N 0 0 303.402 2.087 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cccc(N2C(=O)CCCC2=O)c1 ZINC000807449078 645951476 /nfs/dbraw/zinc/95/14/76/645951476.db2.gz IZOZCPXZOQYXNA-UHFFFAOYSA-N 0 0 322.364 2.331 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCC[C@@H](O)CC ZINC000807465609 645953818 /nfs/dbraw/zinc/95/38/18/645953818.db2.gz DCMYGHFUGHZTQJ-SJORKVTESA-N 0 0 302.418 2.471 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(CC=C)CCOC ZINC000807466480 645954181 /nfs/dbraw/zinc/95/41/81/645954181.db2.gz BGIQACZASBBGJC-KRWDZBQOSA-N 0 0 300.402 2.465 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC1(CO)CCCC1 ZINC000807468128 645954476 /nfs/dbraw/zinc/95/44/76/645954476.db2.gz PCLXVQFEOSZVNP-INIZCTEOSA-N 0 0 300.402 2.225 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@H]1CCCc2nc(C)sc21 ZINC000807649885 645973772 /nfs/dbraw/zinc/97/37/72/645973772.db2.gz CKQGLCDJXJWMRV-LBPRGKRZSA-N 0 0 307.419 2.028 10 30 DEEERN Cc1nnc([C@]23CCC[C@H]2CN(c2nnc(C)c(C)c2C#N)C3)o1 ZINC000912373971 646048103 /nfs/dbraw/zinc/04/81/03/646048103.db2.gz UNOSYCQKIRXESJ-GUYCJALGSA-N 0 0 324.388 2.215 10 30 DEEERN C#CCCCCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000156506212 646429998 /nfs/dbraw/zinc/42/99/98/646429998.db2.gz NVHCOTSTNMABKX-UHFFFAOYSA-N 0 0 313.806 2.033 10 30 DEEERN C#CCCCNC(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000172929871 646754932 /nfs/dbraw/zinc/75/49/32/646754932.db2.gz COUHQYICIHOYAJ-OAHLLOKOSA-N 0 0 322.355 2.249 10 30 DEEERN C#CCCCNC(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000174088180 646790426 /nfs/dbraw/zinc/79/04/26/646790426.db2.gz AIXJLHBEJPCMHU-UHFFFAOYSA-N 0 0 319.449 2.270 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](C)c2cccnc2)c1 ZINC000174073473 646791060 /nfs/dbraw/zinc/79/10/60/646791060.db2.gz GOBLTNGFOLULSH-AWEZNQCLSA-N 0 0 321.380 2.264 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)[C@H](C)c1cccnc1 ZINC000174319780 646802704 /nfs/dbraw/zinc/80/27/04/646802704.db2.gz KVJDYPZNAKOJQM-CYBMUJFWSA-N 0 0 307.353 2.187 10 30 DEEERN C#C[C@@H](C)OC(=O)CCn1c2ccccc2n(CCC)c1=O ZINC000174453063 646810231 /nfs/dbraw/zinc/81/02/31/646810231.db2.gz VYRQMIHHVVTXID-CYBMUJFWSA-N 0 0 300.358 2.168 10 30 DEEERN C#C[C@@H](C)OC(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C ZINC000174473413 646811841 /nfs/dbraw/zinc/81/18/41/646811841.db2.gz CURYLMJRGARGIG-IUODEOHRSA-N 0 0 303.358 2.015 10 30 DEEERN C=C(COC(=O)[C@@H](C)N1CCc2ccccc2C1)C(=O)OCC ZINC000740984860 646873845 /nfs/dbraw/zinc/87/38/45/646873845.db2.gz JYMYELSSOOFIJU-CQSZACIVSA-N 0 0 317.385 2.096 10 30 DEEERN C=CCCOCC(=O)Oc1ccc(C(=O)OC)cc1C(C)=O ZINC000730415810 647191359 /nfs/dbraw/zinc/19/13/59/647191359.db2.gz WFLSAJCDUIVCIV-UHFFFAOYSA-N 0 0 306.314 2.174 10 30 DEEERN CC(=O)N1CCC(C(=O)OC[C@H](C#N)Cc2cccs2)CC1 ZINC000153288461 647405002 /nfs/dbraw/zinc/40/50/02/647405002.db2.gz HFLHDNQWQQSVLM-ZDUSSCGKSA-N 0 0 320.414 2.232 10 30 DEEERN N#CCNC(=O)COC(=O)c1ccccc1CCc1ccccc1 ZINC000731234029 647462180 /nfs/dbraw/zinc/46/21/80/647462180.db2.gz VLYSNIDRDUYPGU-UHFFFAOYSA-N 0 0 322.364 2.268 10 30 DEEERN C=CCOc1ccccc1C(=O)OCCN(C)C(=O)OCC ZINC000732514749 647611882 /nfs/dbraw/zinc/61/18/82/647611882.db2.gz NDYHMSYTUZQQMP-UHFFFAOYSA-N 0 0 307.346 2.497 10 30 DEEERN C[C@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1F ZINC000732650577 647635941 /nfs/dbraw/zinc/63/59/41/647635941.db2.gz XUTXHIQYKNNIHW-GXTWGEPZSA-N 0 0 301.365 2.128 10 30 DEEERN N#C[C@H]1CN(C(=O)Cc2cc3ccccc3o2)CCN1C1CC1 ZINC000732647593 647635982 /nfs/dbraw/zinc/63/59/82/647635982.db2.gz GMRLBLIYQZIASI-HNNXBMFYSA-N 0 0 309.369 2.174 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2ccc(-c3cnco3)cc2)CCN1C1CC1 ZINC000732650279 647635985 /nfs/dbraw/zinc/63/59/85/647635985.db2.gz MHVXNOPGFNFCKJ-MRXNPFEDSA-N 0 0 322.368 2.154 10 30 DEEERN Cc1ccc2[nH]c(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2c1 ZINC000732664329 647637208 /nfs/dbraw/zinc/63/72/08/647637208.db2.gz NEQKFDPUJQTGBR-OAHLLOKOSA-N 0 0 308.385 2.289 10 30 DEEERN C#Cc1ccc(C(=O)OCc2noc(-c3ccccc3)n2)nc1 ZINC000733105851 647874064 /nfs/dbraw/zinc/87/40/64/647874064.db2.gz UZEZPTWGFNPQQA-UHFFFAOYSA-N 0 0 305.293 2.470 10 30 DEEERN N#C[C@@H](COC(=O)CCOC[C@@H]1CCCO1)Cc1ccccc1 ZINC000175375679 648346091 /nfs/dbraw/zinc/34/60/91/648346091.db2.gz WPSRKUBGHCQIQV-IRXDYDNUSA-N 0 0 317.385 2.498 10 30 DEEERN COc1cc(/C=C/C(=O)c2cnn(C)c2C)cc2c1OCCO2 ZINC000179850032 648426841 /nfs/dbraw/zinc/42/68/41/648426841.db2.gz LTVDJGAJIGQLCN-SNAWJCMRSA-N 0 0 314.341 2.404 10 30 DEEERN C#CCC(C)(C)COC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000180357751 648487594 /nfs/dbraw/zinc/48/75/94/648487594.db2.gz FWEKREYPPLDWQD-UHFFFAOYSA-N 0 0 320.414 2.405 10 30 DEEERN C#CCOc1ccccc1NCc1csc(CC(=O)NC)n1 ZINC000184624999 649327328 /nfs/dbraw/zinc/32/73/28/649327328.db2.gz MJJAUOWCZFEUAJ-UHFFFAOYSA-N 0 0 315.398 2.056 10 30 DEEERN C#CCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000733247223 649463140 /nfs/dbraw/zinc/46/31/40/649463140.db2.gz DLJGCLHGDAAWTL-UHFFFAOYSA-N 0 0 304.349 2.294 10 30 DEEERN C#CCCNC(=O)c1ccccc1SCc1nc(C)no1 ZINC000733248332 649463729 /nfs/dbraw/zinc/46/37/29/649463729.db2.gz WYWWQSMMQYQUPZ-UHFFFAOYSA-N 0 0 301.371 2.423 10 30 DEEERN C#CCCNC(=O)N(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000733357723 649553751 /nfs/dbraw/zinc/55/37/51/649553751.db2.gz ZZCKUADKOCXEPI-UHFFFAOYSA-N 0 0 312.316 2.461 10 30 DEEERN C#CCCNC(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000733356680 649553950 /nfs/dbraw/zinc/55/39/50/649553950.db2.gz MVNIWIPJJMWBEB-UHFFFAOYSA-N 0 0 322.368 2.156 10 30 DEEERN C#CC[C@H](OC(=O)[C@@H]1CCCN(C(=O)CC)C1)c1ccccn1 ZINC000105549657 651137763 /nfs/dbraw/zinc/13/77/63/651137763.db2.gz AUVIJMAXFATASV-ZBFHGGJFSA-N 0 0 314.385 2.338 10 30 DEEERN C=C(C)CN(CC)C(=O)COC(=O)c1cccc(NC(C)=O)c1 ZINC000028785373 683876020 /nfs/dbraw/zinc/87/60/20/683876020.db2.gz MJDQUXXMFWJUAP-UHFFFAOYSA-N 0 0 318.373 2.226 10 30 DEEERN C#CCN(CC#C)S(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000080767460 683985932 /nfs/dbraw/zinc/98/59/32/683985932.db2.gz UHOLSLPUSVRCQC-UHFFFAOYSA-N 0 0 315.316 2.271 10 30 DEEERN C=CCOc1ccc(OC(=O)[C@H](C)Sc2nncn2C)cc1 ZINC000081323837 683989634 /nfs/dbraw/zinc/98/96/34/683989634.db2.gz YUFVGWWSVZDRBS-NSHDSACASA-N 0 0 319.386 2.466 10 30 DEEERN C=CC[N@@H+](CCCc1nc(-c2cccs2)no1)CC(=O)[O-] ZINC000092465253 684043021 /nfs/dbraw/zinc/04/30/21/684043021.db2.gz VNOMPGWFIPVUJI-UHFFFAOYSA-N 0 0 307.375 2.303 10 30 DEEERN C=CCn1c(C)nn(CN2CC[C@H](c3cnn(C)c3)C2)c1=S ZINC000116259199 684064211 /nfs/dbraw/zinc/06/42/11/684064211.db2.gz OBWRSWDYFREDAE-ZDUSSCGKSA-N 0 0 318.450 2.089 10 30 DEEERN CCCCCCCCOCC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000121794446 684109614 /nfs/dbraw/zinc/10/96/14/684109614.db2.gz QVJONYIDJWEDMC-CQSZACIVSA-N 0 0 319.467 2.009 10 30 DEEERN C=CCc1cc(OCC)ccc1OC(=O)CN1CCOCC1 ZINC000123790184 684128459 /nfs/dbraw/zinc/12/84/59/684128459.db2.gz AQUNTPHFUQPXFC-UHFFFAOYSA-N 0 0 305.374 2.051 10 30 DEEERN CCOc1cc2c(cc1/C=C/C(=O)N[C@H](C)C#N)O[C@@H](C)C2 ZINC000125919185 684149524 /nfs/dbraw/zinc/14/95/24/684149524.db2.gz QUDJLPRGZDSTRQ-AIIUZBJTSA-N 0 0 300.358 2.450 10 30 DEEERN Cn1nccc1CCC(=O)OC[C@H](C#N)Cc1cccs1 ZINC000127341487 684162612 /nfs/dbraw/zinc/16/26/12/684162612.db2.gz YYKCKRYOYVYHJR-LBPRGKRZSA-N 0 0 303.387 2.340 10 30 DEEERN C#CCSCCNC(=O)c1ccc2cc(OC)ccc2n1 ZINC000130550380 684190349 /nfs/dbraw/zinc/19/03/49/684190349.db2.gz STODHJMQLGGHBL-UHFFFAOYSA-N 0 0 300.383 2.340 10 30 DEEERN CC(=O)CCN(C)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000135177153 684233403 /nfs/dbraw/zinc/23/34/03/684233403.db2.gz XMMZQIMINRKRDA-UHFFFAOYSA-N 0 0 315.373 2.105 10 30 DEEERN C[C@@H](O)C1CCN(C(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC000135292897 684234219 /nfs/dbraw/zinc/23/42/19/684234219.db2.gz NXAVVJSVXQDTMA-LLVKDONJSA-N 0 0 321.352 2.353 10 30 DEEERN CC[C@@H](CC#N)OC(=O)CSc1nnnn1C1CCCC1 ZINC000187991501 684347144 /nfs/dbraw/zinc/34/71/44/684347144.db2.gz XPLXNLVLOTWTBR-NSHDSACASA-N 0 0 309.395 2.116 10 30 DEEERN CC[C@H](CC#N)OC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000188087028 684348742 /nfs/dbraw/zinc/34/87/42/684348742.db2.gz VTVXIDUWWHSFMR-ZBFHGGJFSA-N 0 0 318.373 2.498 10 30 DEEERN N#C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000190548868 684408316 /nfs/dbraw/zinc/40/83/16/684408316.db2.gz UZFPIZCYYRFQRZ-SECBINFHSA-N 0 0 324.134 2.389 10 30 DEEERN C=CCOCCCC(=O)Oc1cccc(-c2ncn(C)n2)c1 ZINC000191862280 684437397 /nfs/dbraw/zinc/43/73/97/684437397.db2.gz WNBSQULKZYLKHA-UHFFFAOYSA-N 0 0 301.346 2.370 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]c(=S)[nH]1 ZINC000193068269 684465094 /nfs/dbraw/zinc/46/50/94/684465094.db2.gz AJUVPJKRFIRCOG-UHFFFAOYSA-N 0 0 318.358 2.435 10 30 DEEERN C=CCC[C@H](C)OC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000246271476 685127244 /nfs/dbraw/zinc/12/72/44/685127244.db2.gz ARPACAGQIMHQIJ-BJJXKVORSA-N 0 0 319.405 2.228 10 30 DEEERN N#C[C@H](C(=O)NC1CC1)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000250485330 685190004 /nfs/dbraw/zinc/19/00/04/685190004.db2.gz KVSUBRZBZFQMMT-MCIONIFRSA-N 0 0 302.761 2.431 10 30 DEEERN CC(=O)N1C[C@H](Nc2ncccc2C#N)CC[C@@H]1C(F)(F)F ZINC000886039212 691990488 /nfs/dbraw/zinc/99/04/88/691990488.db2.gz WSWBGYPWFIHPIT-VXGBXAGGSA-N 0 0 312.295 2.307 10 30 DEEERN CCn1cc([C@@H]2OCC[C@H]2CNc2nc(C)cc(C#N)n2)cn1 ZINC000886071881 691997346 /nfs/dbraw/zinc/99/73/46/691997346.db2.gz GUKQGXDMXPYTQZ-SWLSCSKDSA-N 0 0 312.377 2.063 10 30 DEEERN N#Cc1csc(C(=O)Nc2cnc(Br)cn2)c1 ZINC000176571204 782615995 /nfs/dbraw/zinc/61/59/95/782615995.db2.gz QZFKIYPXZGFSKR-UHFFFAOYSA-N 0 0 309.148 2.425 10 30 DEEERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1cccc(C#N)c1 ZINC000588433669 777170839 /nfs/dbraw/zinc/17/08/39/777170839.db2.gz ASYHTBPNDXDQFZ-PLNGDYQASA-N 0 0 315.373 2.369 10 30 DEEERN C#Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)cn1 ZINC000728810487 779836652 /nfs/dbraw/zinc/83/66/52/779836652.db2.gz RSWKLGLXLSHFQT-HZPDHXFCSA-N 0 0 316.426 2.190 10 30 DEEERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1ccc(C#N)cc1 ZINC000588488463 781644848 /nfs/dbraw/zinc/64/48/48/781644848.db2.gz HOCXMTJHMFBNKZ-PLNGDYQASA-N 0 0 315.373 2.369 10 30 DEEERN C=CCn1c(C)cc(C(=O)COC(=O)[C@@H]2CCC[C@@H]2O)c1C ZINC000745336601 784711067 /nfs/dbraw/zinc/71/10/67/784711067.db2.gz KNGAZZWUIWMBTC-HIFRSBDPSA-N 0 0 305.374 2.178 10 30 DEEERN C#CC[C@@H](CO)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000717771033 799469551 /nfs/dbraw/zinc/46/95/51/799469551.db2.gz WBDDCGDCKQFYHZ-KOLCDFICSA-N 0 0 316.184 2.261 10 30 DEEERN C[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720020423 1089423114 /nfs/dbraw/zinc/42/31/14/1089423114.db2.gz AQOFYEWFLYXFNV-SSDOTTSWSA-N 0 0 310.272 2.317 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)NCC[C@H]2CCCS2)c1 ZINC000719989457 1089424053 /nfs/dbraw/zinc/42/40/53/1089424053.db2.gz JCLWKYHHOSXXJS-GFCCVEGCSA-N 0 0 314.407 2.261 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)NCC2CCSCC2)c1 ZINC000720038085 1089428216 /nfs/dbraw/zinc/42/82/16/1089428216.db2.gz PISLBBFVJPUYHI-UHFFFAOYSA-N 0 0 314.407 2.119 10 30 DEEERN C[C@@H]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CCS1 ZINC000720088017 1089496037 /nfs/dbraw/zinc/49/60/37/1089496037.db2.gz SINNQGKUSRGKRV-SNVBAGLBSA-N 0 0 314.407 2.213 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](COC)c1ccccc1 ZINC000425493027 334928790 /nfs/dbraw/zinc/92/87/90/334928790.db2.gz PTNCUIURIWPLLO-XHSDSOJGSA-N 0 0 304.390 2.264 10 30 DEEERN C=CCCCN(C)[C@H](C)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000076735798 185036792 /nfs/dbraw/zinc/03/67/92/185036792.db2.gz KGMAAXOTXQFZLB-CYBMUJFWSA-N 0 0 324.446 2.315 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1COc2c1cccc2Cl ZINC000612304340 361787278 /nfs/dbraw/zinc/78/72/78/361787278.db2.gz NMJAMWOMWJBZKV-KGLIPLIRSA-N 0 0 322.792 2.361 10 30 DEEERN C=CC[C@H](C)NS(=O)(=O)c1ccc(N)c(Br)c1 ZINC000162483197 197569664 /nfs/dbraw/zinc/56/96/64/197569664.db2.gz SWOVTQDJONXRHX-QMMMGPOBSA-N 0 0 319.224 2.274 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC2(C1)CCCO2 ZINC000624972706 365602769 /nfs/dbraw/zinc/60/27/69/365602769.db2.gz BZFURCBWROJULN-CYBMUJFWSA-N 0 0 304.394 2.075 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000278502659 214195248 /nfs/dbraw/zinc/19/52/48/214195248.db2.gz ZZTIBAPKLMTRCB-CYBMUJFWSA-N 0 0 311.381 2.298 10 30 DEEERN C=CCN(C(C)=O)[C@H](C)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000096775549 185387189 /nfs/dbraw/zinc/38/71/89/185387189.db2.gz DWTLSGDNIIXEEZ-GHMZBOCLSA-N 0 0 316.357 2.012 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(CCOCC)CCC1 ZINC000612519823 361849493 /nfs/dbraw/zinc/84/94/93/361849493.db2.gz PRSSMHNLVSDFIE-HNNXBMFYSA-N 0 0 310.438 2.170 10 30 DEEERN C=CCCCN(C)c1nnc(C(=O)NC(C)C)n1CC1CC1 ZINC000612737403 361906561 /nfs/dbraw/zinc/90/65/61/361906561.db2.gz LXBXQDSOCHUMQO-UHFFFAOYSA-N 0 0 305.426 2.229 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)CC(=O)c1cccs1 ZINC000612828841 361926420 /nfs/dbraw/zinc/92/64/20/361926420.db2.gz VHQISCRBMVIUFV-YPMHNXCESA-N 0 0 322.430 2.297 10 30 DEEERN CC[C@@]1(C2CC2)NC(=O)N(Cc2cc(C#N)ccc2F)C1=O ZINC000613069864 361995516 /nfs/dbraw/zinc/99/55/16/361995516.db2.gz GUQFEKYLJGRMDO-INIZCTEOSA-N 0 0 301.321 2.308 10 30 DEEERN COc1ccc([C@H](C#N)N2CCN(C)CC2)c(Cl)c1OC ZINC000088044863 185238016 /nfs/dbraw/zinc/23/80/16/185238016.db2.gz AKIUJIOXHGYFFY-LBPRGKRZSA-N 0 0 309.797 2.169 10 30 DEEERN CN[C@H](C#N)CCOc1ccc(Br)cc1[N+](=O)[O-] ZINC000088086791 185239412 /nfs/dbraw/zinc/23/94/12/185239412.db2.gz KLCAUHWPNLZPTP-VIFPVBQESA-N 0 0 314.139 2.238 10 30 DEEERN CCS(=O)(=O)CCNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000088191593 185241104 /nfs/dbraw/zinc/24/11/04/185241104.db2.gz UHVYGCSIXQJFFN-UHFFFAOYSA-N 0 0 306.309 2.424 10 30 DEEERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(C#N)cs1 ZINC000088197009 185241535 /nfs/dbraw/zinc/24/15/35/185241535.db2.gz FAEQGOFSUKDZAI-JTQLQIEISA-N 0 0 301.375 2.039 10 30 DEEERN O=C(C#Cc1ccccc1)Nc1cnc(Br)cn1 ZINC000088448033 185251583 /nfs/dbraw/zinc/25/15/83/185251583.db2.gz CWGXWHOKKGQGIO-UHFFFAOYSA-N 0 0 302.131 2.229 10 30 DEEERN CC(C)OCCS(=O)(=O)Nc1cc(C#N)ccc1Cl ZINC000088547278 185257260 /nfs/dbraw/zinc/25/72/60/185257260.db2.gz FRNXWUPOLIEHOD-UHFFFAOYSA-N 0 0 302.783 2.378 10 30 DEEERN C[C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(N)cc1C#N ZINC000088506978 185254307 /nfs/dbraw/zinc/25/43/07/185254307.db2.gz CDBJGGUNAHRBAD-BXUZGUMPSA-N 0 0 307.419 2.388 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)c1sc2c(c(C)nn2C)c1N ZINC000088642079 185261033 /nfs/dbraw/zinc/26/10/33/185261033.db2.gz WPMNJMPNZUGZFH-MRVPVSSYSA-N 0 0 305.407 2.147 10 30 DEEERN N#Cc1cc2c(nc1N1CCC[C@@H](C(=O)N3CCCC3)C1)CCC2 ZINC000329411031 231524497 /nfs/dbraw/zinc/52/44/97/231524497.db2.gz CAAIRUDKAVMQMH-OAHLLOKOSA-N 0 0 324.428 2.281 10 30 DEEERN N#CCCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000613133516 362012714 /nfs/dbraw/zinc/01/27/14/362012714.db2.gz UYQWBHWURDFCTN-ILXRZTDVSA-N 0 0 313.405 2.034 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H](C)[C@@H](OC)C1(CC)CC ZINC000613225262 362047636 /nfs/dbraw/zinc/04/76/36/362047636.db2.gz GDURAINSTPUFGN-ARLBYUKCSA-N 0 0 324.465 2.413 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1ccc(Nc2ccn(C)n2)cc1 ZINC000613252897 362058336 /nfs/dbraw/zinc/05/83/36/362058336.db2.gz LWYWBWCPRXTLMF-ZDUSSCGKSA-N 0 0 314.389 2.078 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000613268926 362064215 /nfs/dbraw/zinc/06/42/15/362064215.db2.gz CDUCVCRYACSFRJ-OAHLLOKOSA-N 0 0 301.390 2.088 10 30 DEEERN N#Cc1cc(C(=O)NC2(c3noc(C4CC4)n3)CCCC2)c[nH]1 ZINC000181326263 199281972 /nfs/dbraw/zinc/28/19/72/199281972.db2.gz NBNFTIWXZHLKFB-UHFFFAOYSA-N 0 0 311.345 2.346 10 30 DEEERN O=C(NCC#CCOc1ccc2c(c1)OCO2)C1CCCC1 ZINC000090730710 185311634 /nfs/dbraw/zinc/31/16/34/185311634.db2.gz YZBYWQNZHYJDAR-UHFFFAOYSA-N 0 0 301.342 2.104 10 30 DEEERN Cc1ccc(C(=O)N2CCN(Cc3ccc(C#N)o3)CC2)s1 ZINC000092379693 185314696 /nfs/dbraw/zinc/31/46/96/185314696.db2.gz GZKANELAKRKISR-UHFFFAOYSA-N 0 0 315.398 2.479 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1nc(-c2ccccc2)cs1 ZINC000613486429 362127215 /nfs/dbraw/zinc/12/72/15/362127215.db2.gz QDDDKQZHCNSUNW-CYBMUJFWSA-N 0 0 302.399 2.406 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCCC[C@@H](CCOC)C1 ZINC000613577169 362150807 /nfs/dbraw/zinc/15/08/07/362150807.db2.gz ODPNFNSBRQQAFO-JKSUJKDBSA-N 0 0 310.438 2.123 10 30 DEEERN COC(=O)C[C@H]1CN(c2cccc(SC)c2C#N)CCO1 ZINC000167608166 197711218 /nfs/dbraw/zinc/71/12/18/197711218.db2.gz ZPWXGINSPRBPLW-NSHDSACASA-N 0 0 306.387 2.048 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccnc(SCC)c1 ZINC000613693820 362182552 /nfs/dbraw/zinc/18/25/52/362182552.db2.gz OEVXKMQVFAODMV-AWEZNQCLSA-N 0 0 321.446 2.281 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cnc(OC)c(Cl)c2)C1 ZINC000625355601 365744990 /nfs/dbraw/zinc/74/49/90/365744990.db2.gz SMLSBNTUSXPBTL-SNVBAGLBSA-N 0 0 316.810 2.330 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@H]1c1cccn1C ZINC000625367636 365751009 /nfs/dbraw/zinc/75/10/09/365751009.db2.gz KRVFYVQCTIPHBD-HNNXBMFYSA-N 0 0 317.433 2.407 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc2c[nH]nc2cc1C ZINC000613918308 362246019 /nfs/dbraw/zinc/24/60/19/362246019.db2.gz NAYFUVLZLXATAY-HNNXBMFYSA-N 0 0 300.362 2.281 10 30 DEEERN CCc1nc(CNC(=O)c2c[nH]nc2[C@H]2CCOC2)cs1 ZINC000328626345 529730709 /nfs/dbraw/zinc/73/07/09/529730709.db2.gz LPILKZILVJYPMS-VIFPVBQESA-N 0 0 306.391 2.437 10 30 DEEERN CCc1nnc(C2CCN(C(=O)C#Cc3ccccc3)CC2)[nH]1 ZINC000191580516 529731370 /nfs/dbraw/zinc/73/13/70/529731370.db2.gz CBWUKNIOSDHQHH-UHFFFAOYSA-N 0 0 308.385 2.125 10 30 DEEERN C=CCN(CCOC)C(=O)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC000613933439 362247692 /nfs/dbraw/zinc/24/76/92/362247692.db2.gz JJPPULHOVZOQPZ-UHFFFAOYSA-N 0 0 304.268 2.081 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CC[C@@H](OC)C1 ZINC000614723231 362445503 /nfs/dbraw/zinc/44/55/03/362445503.db2.gz WXCYXMXNOMSBTR-UONOGXRCSA-N 0 0 307.390 2.492 10 30 DEEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000614729123 362448524 /nfs/dbraw/zinc/44/85/24/362448524.db2.gz MWQYFSULVBDCTQ-ZSHCYNCHSA-N 0 0 303.406 2.261 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)c1c(F)cncc1F ZINC000614797722 362463632 /nfs/dbraw/zinc/46/36/32/362463632.db2.gz OXOUYRSZQYKFMT-RNCFNFMXSA-N 0 0 311.332 2.008 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CCCCC1(F)F ZINC000615474617 362616617 /nfs/dbraw/zinc/61/66/17/362616617.db2.gz YKFPUHSLQWVKHS-STQMWFEESA-N 0 0 302.365 2.399 10 30 DEEERN C=C(C)CS(=O)(=O)NCC(=O)c1cccc(F)c1Cl ZINC000625499133 365808500 /nfs/dbraw/zinc/80/85/00/365808500.db2.gz FNNJRBBEJGLMAX-UHFFFAOYSA-N 0 0 305.758 2.157 10 30 DEEERN N#C[C@@]1(F)CCN(C(=O)CCc2cc3ccccc3[nH]c2=O)C1 ZINC000615824111 362707621 /nfs/dbraw/zinc/70/76/21/362707621.db2.gz CIPRRWOGTMWRNE-KRWDZBQOSA-N 0 0 313.332 2.337 10 30 DEEERN N#C[C@]1(F)CCN(C(=O)CCc2cc3ccccc3[nH]c2=O)C1 ZINC000615824112 362708818 /nfs/dbraw/zinc/70/88/18/362708818.db2.gz CIPRRWOGTMWRNE-QGZVFWFLSA-N 0 0 313.332 2.337 10 30 DEEERN C=CCc1cc(C(=O)N2CCC23COC3)cc(OC)c1OC ZINC000615933873 362735273 /nfs/dbraw/zinc/73/52/73/362735273.db2.gz GFRGCWXSCRWEEL-UHFFFAOYSA-N 0 0 303.358 2.047 10 30 DEEERN CS(=O)(=O)N1C[C@@H](c2cccc(C#N)c2)Nc2ccccc21 ZINC000616584916 362894355 /nfs/dbraw/zinc/89/43/55/362894355.db2.gz SJQXGQNWGDERSV-HNNXBMFYSA-N 0 0 313.382 2.491 10 30 DEEERN C=C(COc1cc(/C=C/C(=O)OC)ccc1OC)C(=O)OCC ZINC000279864861 215189896 /nfs/dbraw/zinc/18/98/96/215189896.db2.gz GAPAOYTYKVVDHY-VQHVLOKHSA-N 0 0 320.341 2.380 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H]4CCCC[C@@H]43)cc2C1=O ZINC000616730494 362923456 /nfs/dbraw/zinc/92/34/56/362923456.db2.gz MWIVVKNAZVHEQX-BBRMVZONSA-N 0 0 324.380 2.483 10 30 DEEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000083562247 192373703 /nfs/dbraw/zinc/37/37/03/192373703.db2.gz CEGYTTQRWVKEDW-ZDUSSCGKSA-N 0 0 314.324 2.254 10 30 DEEERN CC1(C)CN(C(=O)NCCOc2ccc(C#N)cc2)CCS1 ZINC000083656484 192377469 /nfs/dbraw/zinc/37/74/69/192377469.db2.gz HKVXFLUODUBJJC-UHFFFAOYSA-N 0 0 319.430 2.474 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000616797597 362935556 /nfs/dbraw/zinc/93/55/56/362935556.db2.gz HACJZZHZQFNWLZ-HNNXBMFYSA-N 0 0 300.358 2.225 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000193316567 539713091 /nfs/dbraw/zinc/71/30/91/539713091.db2.gz QGRLFUSDTORVMC-UHFFFAOYSA-N 0 0 315.295 2.464 10 30 DEEERN CS(=O)(=O)c1ccc(Oc2ccc(C#N)c(F)c2)c(N)c1 ZINC000133366533 185977504 /nfs/dbraw/zinc/97/75/04/185977504.db2.gz BQMWMIIHIDWVQH-UHFFFAOYSA-N 0 0 306.318 2.475 10 30 DEEERN Cc1c(C#CCO)cccc1C(=O)N1CCS[C@H](C)[C@@H]1C ZINC000133646562 186003054 /nfs/dbraw/zinc/00/30/54/186003054.db2.gz NGGURPQKINDDJX-UONOGXRCSA-N 0 0 303.427 2.305 10 30 DEEERN N#CC1(C(=O)Nc2ccncc2Br)CCOCC1 ZINC000147580999 186040658 /nfs/dbraw/zinc/04/06/58/186040658.db2.gz SVKGAZUSYGMHIJ-UHFFFAOYSA-N 0 0 310.151 2.103 10 30 DEEERN C[C@@H]1CCC[C@@H](C)N1NC(=O)c1csc(C#CCCO)c1 ZINC000149851869 186053187 /nfs/dbraw/zinc/05/31/87/186053187.db2.gz VWLWOYGDXGJHEO-CHWSQXEVSA-N 0 0 306.431 2.390 10 30 DEEERN O=C(NN1CCCCC1)c1ccc(C#CCCO)c(Cl)c1 ZINC000149844729 186053263 /nfs/dbraw/zinc/05/32/63/186053263.db2.gz MLWJJDRBQJLZAF-UHFFFAOYSA-N 0 0 306.793 2.205 10 30 DEEERN C#C[C@@H](C)NC(=O)N[C@@H](CC(=O)OCC)c1ccccc1C ZINC000186058631 186236724 /nfs/dbraw/zinc/23/67/24/186236724.db2.gz HFBVFBNBWYXUTR-HIFRSBDPSA-N 0 0 302.374 2.310 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(OCC(N)=O)cc1 ZINC000617035324 363006907 /nfs/dbraw/zinc/00/69/07/363006907.db2.gz KJWXWPUBAJOVSQ-XJKSGUPXSA-N 0 0 316.401 2.415 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1nnn(C(C)(C)C)n1 ZINC000617043750 363007994 /nfs/dbraw/zinc/00/79/94/363007994.db2.gz DOJRKSKECWTKFD-QWHCGFSZSA-N 0 0 305.426 2.222 10 30 DEEERN C=CCSCCNC(=O)N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000595491083 358463439 /nfs/dbraw/zinc/46/34/39/358463439.db2.gz HNDCFSIMMMCEIS-GXFFZTMASA-N 0 0 308.394 2.360 10 30 DEEERN C=CCSCCNC(=O)NCc1ccc(CNC(C)=O)cc1 ZINC000595492801 358464063 /nfs/dbraw/zinc/46/40/63/358464063.db2.gz NADPSEONSWCXNN-UHFFFAOYSA-N 0 0 321.446 2.041 10 30 DEEERN C=CCSCCNC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000171953219 198014385 /nfs/dbraw/zinc/01/43/85/198014385.db2.gz BFPWYMSQRZAGIZ-UHFFFAOYSA-N 0 0 308.432 2.193 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N[C@H](CO)C1CCC1 ZINC000617309704 363085781 /nfs/dbraw/zinc/08/57/81/363085781.db2.gz HPTZQPXWNJPMFX-OAHLLOKOSA-N 0 0 305.374 2.151 10 30 DEEERN C=CCCC1(CNC(=O)[C@H]2CC(=O)N(CCOC)C2)CCCC1 ZINC000617416553 363128038 /nfs/dbraw/zinc/12/80/38/363128038.db2.gz VWNIFBRYFRAZMH-HNNXBMFYSA-N 0 0 322.449 2.124 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)OCC ZINC000617497231 363156701 /nfs/dbraw/zinc/15/67/01/363156701.db2.gz PDRREIWMFLHUKY-ZBFHGGJFSA-N 0 0 316.401 2.062 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)OCC ZINC000617497230 363156894 /nfs/dbraw/zinc/15/68/94/363156894.db2.gz PDRREIWMFLHUKY-HOCLYGCPSA-N 0 0 316.401 2.062 10 30 DEEERN C=CCN(C(=O)c1cc(=O)c2ccccc2[nH]1)[C@@H](C)COC ZINC000617575798 363192807 /nfs/dbraw/zinc/19/28/07/363192807.db2.gz FJTFDIJQSWOYFA-LBPRGKRZSA-N 0 0 300.358 2.191 10 30 DEEERN Cc1cccc(C(=O)N[C@@H](C)C(=O)N2CCOCC3(CC3)C2)c1 ZINC000329336978 539918691 /nfs/dbraw/zinc/91/86/91/539918691.db2.gz PNJVEPXPBRLUFZ-AWEZNQCLSA-N 0 0 316.401 2.327 10 30 DEEERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)CN1CC(=O)NC1=O ZINC000329387182 539919649 /nfs/dbraw/zinc/91/96/49/539919649.db2.gz STEWWAMJCCLXIF-LLVKDONJSA-N 0 0 303.318 2.086 10 30 DEEERN CCCN1CCCN(C(=O)N[C@H](C)c2csc(C)n2)CC1=O ZINC000329919132 539932090 /nfs/dbraw/zinc/93/20/90/539932090.db2.gz DBVPOQHORLZAJY-LLVKDONJSA-N 0 0 324.450 2.371 10 30 DEEERN CCCN1CCCN(C(=O)N[C@@H](C)c2csc(C)n2)CC1=O ZINC000329919134 539932296 /nfs/dbraw/zinc/93/22/96/539932296.db2.gz DBVPOQHORLZAJY-NSHDSACASA-N 0 0 324.450 2.371 10 30 DEEERN C=CCCCN(C)C(=O)Nc1ccc(OCCC(N)=O)cc1 ZINC000173135180 198186983 /nfs/dbraw/zinc/18/69/83/198186983.db2.gz UNJFDOHXJQKYBG-UHFFFAOYSA-N 0 0 305.378 2.371 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ncn(C2CCCCC2)n1 ZINC000329738778 539928867 /nfs/dbraw/zinc/92/88/67/539928867.db2.gz MYLIMMNILYDEGJ-AAEUAGOBSA-N 0 0 302.382 2.801 10 30 DEEERN C=CCOCCCC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000173109283 198185753 /nfs/dbraw/zinc/18/57/53/198185753.db2.gz VYSRWLRCDRBJNK-CQSZACIVSA-N 0 0 314.389 2.427 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000332703756 539938725 /nfs/dbraw/zinc/93/87/25/539938725.db2.gz FIHKFQYPPCEXNH-FXUDXRNXSA-N 0 0 314.389 2.293 10 30 DEEERN C=CCCNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000617614925 363203898 /nfs/dbraw/zinc/20/38/98/363203898.db2.gz UALBWASMGYQRRD-HNNXBMFYSA-N 0 0 318.392 2.299 10 30 DEEERN CCC1(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CCC1 ZINC000175462010 198478029 /nfs/dbraw/zinc/47/80/29/198478029.db2.gz QURRLFKNGGLFRN-UHFFFAOYSA-N 0 0 309.373 2.389 10 30 DEEERN C=CCNC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 ZINC000277086062 213284198 /nfs/dbraw/zinc/28/41/98/213284198.db2.gz SSDPWRUDEPQKAK-XJKSGUPXSA-N 0 0 315.348 2.391 10 30 DEEERN COc1ccc(S(=O)(=O)NC2(C#N)CCC(C)CC2)cc1 ZINC000040364553 354169267 /nfs/dbraw/zinc/16/92/67/354169267.db2.gz NHAUSPYQQSXEHB-UHFFFAOYSA-N 0 0 308.403 2.446 10 30 DEEERN C[C@]12CC(C)(C)[C@H]3C(Cl)(Cl)[C@@]3(N3CCOCC3)[C@H]1O2 ZINC000033378769 354158728 /nfs/dbraw/zinc/15/87/28/354158728.db2.gz LENBNQSXDZTTGX-URBCHYCLSA-N 0 0 306.233 2.449 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1cc(C)n([C@H]2CCCOC2)c1C ZINC000626362022 366161925 /nfs/dbraw/zinc/16/19/25/366161925.db2.gz YSMWHVPOJBEUQJ-HOTGVXAUSA-N 0 0 320.433 2.371 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2cccc3c2OCC(=O)N3)C1 ZINC000626567338 366228808 /nfs/dbraw/zinc/22/88/08/366228808.db2.gz OZVZGRYOQHZOCV-NSHDSACASA-N 0 0 301.346 2.447 10 30 DEEERN Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000068154954 354800634 /nfs/dbraw/zinc/80/06/34/354800634.db2.gz HODVORXMWCKXOR-DGCLKSJQSA-N 0 0 312.373 2.245 10 30 DEEERN COc1ccc2c(c1)OC[C@@H](C(=O)Nc1cc(C#N)ccn1)C2 ZINC000618138170 363391489 /nfs/dbraw/zinc/39/14/89/363391489.db2.gz VMFYOWCVRGZZSH-ZDUSSCGKSA-N 0 0 309.325 2.152 10 30 DEEERN N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(c3ncccn3)C2)c1 ZINC000183710899 199633706 /nfs/dbraw/zinc/63/37/06/199633706.db2.gz GWGSEECMSZJSAS-ZDUSSCGKSA-N 0 0 324.344 2.337 10 30 DEEERN N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC3)C2)c(F)c1 ZINC000069475405 354865837 /nfs/dbraw/zinc/86/58/37/354865837.db2.gz MULDMOPSQMBJBE-CYBMUJFWSA-N 0 0 302.353 2.081 10 30 DEEERN C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cn2ccnc2)cc1 ZINC000073047005 354938939 /nfs/dbraw/zinc/93/89/39/354938939.db2.gz FLASMFYZUOHHLK-UHFFFAOYSA-N 0 0 324.384 2.336 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@@H]2CCCc3ccccc32)CCN1C1CC1 ZINC000370971210 283059996 /nfs/dbraw/zinc/05/99/96/283059996.db2.gz BTSDKTHAYDAHIH-SJLPKXTDSA-N 0 0 309.413 2.305 10 30 DEEERN N#C[C@H]1CN(C(=O)c2ccc3ncccc3c2)CCN1C1CC1 ZINC000370985899 283068794 /nfs/dbraw/zinc/06/87/94/283068794.db2.gz PRMIAPXKMVWTGJ-INIZCTEOSA-N 0 0 306.369 2.047 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCCCC[C@H]1CCO ZINC000355844098 540084922 /nfs/dbraw/zinc/08/49/22/540084922.db2.gz MBYNKDUQLDYQDV-JYJNAYRXSA-N 0 0 310.438 2.304 10 30 DEEERN CC(C)(C)C(=O)NC1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000075058044 191414192 /nfs/dbraw/zinc/41/41/92/191414192.db2.gz DUKIHEHXTSVIQN-UHFFFAOYSA-N 0 0 313.401 2.325 10 30 DEEERN N#Cc1csc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000084188836 355474669 /nfs/dbraw/zinc/47/46/69/355474669.db2.gz XEQGPUFMIZASTK-CYBMUJFWSA-N 0 0 317.414 2.094 10 30 DEEERN C[C@@H](CNc1ccc2c(C#N)nccc2c1)COS(C)(=O)=O ZINC000143436498 355899524 /nfs/dbraw/zinc/89/95/24/355899524.db2.gz RUDUNHAFOKIGEN-NSHDSACASA-N 0 0 319.386 2.131 10 30 DEEERN C=CCNC(=O)[C@H](C)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000156780983 355953478 /nfs/dbraw/zinc/95/34/78/355953478.db2.gz PYDBNVHOMPXTCY-AWEZNQCLSA-N 0 0 321.490 2.119 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000179767394 356032846 /nfs/dbraw/zinc/03/28/46/356032846.db2.gz JPAVHHFONXUJML-CYBMUJFWSA-N 0 0 304.390 2.286 10 30 DEEERN C=CCNC(=O)CNC(=O)NCc1ccc(Cl)cc1Cl ZINC000181239311 356076492 /nfs/dbraw/zinc/07/64/92/356076492.db2.gz XFZZHMJHYCYKEA-UHFFFAOYSA-N 0 0 316.188 2.095 10 30 DEEERN N#Cc1ccc(NC(=O)NCCCn2ccnn2)cc1Cl ZINC000183054714 356157549 /nfs/dbraw/zinc/15/75/49/356157549.db2.gz VANDMUJXOWZSDG-UHFFFAOYSA-N 0 0 304.741 2.015 10 30 DEEERN CC(C)CS(=O)(=O)N[C@H](C)c1ccc(C#CCCO)cc1 ZINC000080192624 192010638 /nfs/dbraw/zinc/01/06/38/192010638.db2.gz LXAKFZGTUZBRSP-CQSZACIVSA-N 0 0 309.431 2.057 10 30 DEEERN CC(C)CS(=O)(=O)N[C@H](C)c1cccc(C#CCCO)c1 ZINC000080192702 192010998 /nfs/dbraw/zinc/01/09/98/192010998.db2.gz XSCOMNMFMSDIDI-CQSZACIVSA-N 0 0 309.431 2.057 10 30 DEEERN C[C@@H](C#N)CNC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000182788685 356145284 /nfs/dbraw/zinc/14/52/84/356145284.db2.gz NXPPDLVFJIMVEH-QWHCGFSZSA-N 0 0 316.409 2.011 10 30 DEEERN CC[C@@H](NS(=O)(=O)c1ccccc1C#N)c1nccs1 ZINC000080276797 192020276 /nfs/dbraw/zinc/02/02/76/192020276.db2.gz RLWJEVDVCPXTNV-LLVKDONJSA-N 0 0 307.400 2.444 10 30 DEEERN Cc1cccnc1NC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000194237870 356236407 /nfs/dbraw/zinc/23/64/07/356236407.db2.gz VAHOCUCCXXWAQP-UHFFFAOYSA-N 0 0 322.372 2.011 10 30 DEEERN C#CCCNc1cc(OC)ncc1I ZINC000306534224 356403385 /nfs/dbraw/zinc/40/33/85/356403385.db2.gz DMXXMQKVKJNYJL-UHFFFAOYSA-N 0 0 302.115 2.130 10 30 DEEERN C#CC(=O)Nc1cnc(Br)c(Br)c1 ZINC000306429888 356403722 /nfs/dbraw/zinc/40/37/22/356403722.db2.gz PSGGCASMAMDERY-UHFFFAOYSA-N 0 0 303.941 2.178 10 30 DEEERN C=C1CCN(c2ncncc2I)CC1 ZINC000306762729 356405504 /nfs/dbraw/zinc/40/55/04/356405504.db2.gz FDGSTRAKPSILNW-UHFFFAOYSA-N 0 0 301.131 2.238 10 30 DEEERN C[N@H+](CC1CC1)C[C@@H]1CN(C(=O)N[C@@H]2C=CCCC2)CCO1 ZINC000328625604 356462586 /nfs/dbraw/zinc/46/25/86/356462586.db2.gz DICWWJBTPNLYOH-HZPDHXFCSA-N 0 0 307.438 2.052 10 30 DEEERN CN(C[C@H]1CCc2nccn2C1)C(=O)c1sccc1C#N ZINC000328624699 356462600 /nfs/dbraw/zinc/46/26/00/356462600.db2.gz KAAHRUMSJQNACG-LLVKDONJSA-N 0 0 300.387 2.151 10 30 DEEERN Cc1nc(NC(=O)N(C)C[C@@H]2CCn3ccnc3C2)oc1C ZINC000328630870 356464042 /nfs/dbraw/zinc/46/40/42/356464042.db2.gz QIUIKBZYZRKEDO-GFCCVEGCSA-N 0 0 303.366 2.228 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000081673936 192310770 /nfs/dbraw/zinc/31/07/70/192310770.db2.gz CGOUROCZQTWFJR-XVKPBYJWSA-N 0 0 320.201 2.359 10 30 DEEERN C=CCOCCCNC(=O)c1cn(-c2ccccc2CC)nn1 ZINC000618517010 363513519 /nfs/dbraw/zinc/51/35/19/363513519.db2.gz WZGMPSZQRGVKIU-UHFFFAOYSA-N 0 0 314.389 2.152 10 30 DEEERN C=CCOCCCNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000618523472 363516354 /nfs/dbraw/zinc/51/63/54/363516354.db2.gz IPUQNJDDUVZTNS-QGZVFWFLSA-N 0 0 320.408 2.499 10 30 DEEERN C=CCOCCCNC(=O)c1cn(C)nc1-c1cccs1 ZINC000618526441 363517169 /nfs/dbraw/zinc/51/71/69/363517169.db2.gz OXEYYCMBFNDBBV-UHFFFAOYSA-N 0 0 305.403 2.471 10 30 DEEERN C=CCC1(c2nc(-c3cc(OC)ncn3)no2)CCOCC1 ZINC000351291640 356648356 /nfs/dbraw/zinc/64/83/56/356648356.db2.gz KHZGDGFVNORWRX-UHFFFAOYSA-N 0 0 302.334 2.160 10 30 DEEERN CC(=O)N[C@H](CC1CCC1)C(=O)NCc1ccc(C#N)cc1F ZINC000618651494 363559493 /nfs/dbraw/zinc/55/94/93/363559493.db2.gz ORNABVCSBUMMDC-MRXNPFEDSA-N 0 0 317.364 2.008 10 30 DEEERN C=CCOCCNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000365023680 356666048 /nfs/dbraw/zinc/66/60/48/356666048.db2.gz XIDPVPVNDHJDHK-MRXNPFEDSA-N 0 0 306.381 2.109 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC000626831955 366340295 /nfs/dbraw/zinc/34/02/95/366340295.db2.gz NOWVNLDDAGZXCR-ZQIUZPCESA-N 0 0 319.376 2.474 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)Nc1cn(C)nc1-c1ccco1 ZINC000626815965 366333873 /nfs/dbraw/zinc/33/38/73/366333873.db2.gz WGINIBCMENFNLM-NSHDSACASA-N 0 0 304.350 2.129 10 30 DEEERN Cc1ncc(S(=O)(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1C#N ZINC000387355185 356703008 /nfs/dbraw/zinc/70/30/08/356703008.db2.gz XADNJDGBAUHDGT-UEKVPHQBSA-N 0 0 307.419 2.365 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCOCC(=O)OCC ZINC000595646333 358511441 /nfs/dbraw/zinc/51/14/41/358511441.db2.gz LNNADBVCLDDRNH-ZIAGYGMSSA-N 0 0 312.410 2.000 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC000578642256 356849995 /nfs/dbraw/zinc/84/99/95/356849995.db2.gz YDQKJSJODFTTIN-WBMJQRKESA-N 0 0 314.389 2.126 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@H](C)c1ncc(C)s1 ZINC000579127704 356927052 /nfs/dbraw/zinc/92/70/52/356927052.db2.gz JEIDBOOZXOOPJA-GFCCVEGCSA-N 0 0 309.435 2.491 10 30 DEEERN Cc1cc(C(=O)NCC2(CC#N)CC2)nn1-c1nc(C)cc(C)n1 ZINC000579307798 356952728 /nfs/dbraw/zinc/95/27/28/356952728.db2.gz AZYBPFJGRXDMFJ-UHFFFAOYSA-N 0 0 324.388 2.011 10 30 DEEERN C[C@]1(C(=O)NCC2(C#N)CC2)CCCN1C(=O)c1ccccc1 ZINC000579791682 357029659 /nfs/dbraw/zinc/02/96/59/357029659.db2.gz AWSGTRVDTASSSP-QGZVFWFLSA-N 0 0 311.385 2.101 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(OC)c2cccnc12 ZINC000580867904 357091199 /nfs/dbraw/zinc/09/11/99/357091199.db2.gz HVAIXYMMSWYMSC-NSHDSACASA-N 0 0 301.346 2.302 10 30 DEEERN N#Cc1cc(NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)ccn1 ZINC000588025805 357389712 /nfs/dbraw/zinc/38/97/12/357389712.db2.gz YHPLDRTWHFWHSD-SNVBAGLBSA-N 0 0 321.306 2.265 10 30 DEEERN C=CCCOCC(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000589113650 357445297 /nfs/dbraw/zinc/44/52/97/357445297.db2.gz PPXULPQPYGSVET-UHFFFAOYSA-N 0 0 302.374 2.126 10 30 DEEERN C=C[C@H](N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)C(=O)OC ZINC000589284708 357461169 /nfs/dbraw/zinc/46/11/69/357461169.db2.gz YCXQAFBARMHJAU-SOUVJXGZSA-N 0 0 308.809 2.402 10 30 DEEERN CC(C)[C@H](C)NC(=O)C1CCN(c2cccnc2C#N)CC1 ZINC000589569025 357479328 /nfs/dbraw/zinc/47/93/28/357479328.db2.gz WFOYZAVNJXFWMG-ZDUSSCGKSA-N 0 0 300.406 2.330 10 30 DEEERN C=CC(C)(C)CNC(=O)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000590791237 357612751 /nfs/dbraw/zinc/61/27/51/357612751.db2.gz DLGKFKMCFDNODO-UHFFFAOYSA-N 0 0 318.373 2.049 10 30 DEEERN N#Cc1cccc(CS(=O)(=O)NCCCc2ccccn2)c1 ZINC000178911573 198951886 /nfs/dbraw/zinc/95/18/86/198951886.db2.gz UASLQMCHIVETLR-UHFFFAOYSA-N 0 0 315.398 2.005 10 30 DEEERN CC[C@@H]1CN(C(=O)c2ccc(C#N)c(C)n2)CCN1CC(F)F ZINC000179416150 199031684 /nfs/dbraw/zinc/03/16/84/199031684.db2.gz OCFRDOQOHWCYIK-CYBMUJFWSA-N 0 0 322.359 2.063 10 30 DEEERN C=CCC(C)(C)C(=O)Nc1ncn(CC(=O)OC(C)(C)C)n1 ZINC000592655143 357920772 /nfs/dbraw/zinc/92/07/72/357920772.db2.gz UDZQWSHYIIXDAY-UHFFFAOYSA-N 0 0 308.382 2.161 10 30 DEEERN C=C(C)CN(CC)C(=O)CN(C)[C@@H](CC)C(=O)OC(C)(C)C ZINC000593123230 358015230 /nfs/dbraw/zinc/01/52/30/358015230.db2.gz IRHCAJCUPASMBN-AWEZNQCLSA-N 0 0 312.454 2.463 10 30 DEEERN C=CCCCCn1cnc2c(nsc2C(=O)OCC)c1=O ZINC000593427399 358075516 /nfs/dbraw/zinc/07/55/16/358075516.db2.gz VYZLNEFSDWKYFS-UHFFFAOYSA-N 0 0 307.375 2.386 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C1(C(=O)OC(C)(C)C)CCCCC1 ZINC000593603261 358109651 /nfs/dbraw/zinc/10/96/51/358109651.db2.gz JXXPTQKJJKESOP-ZDUSSCGKSA-N 0 0 311.422 2.332 10 30 DEEERN C=C(CN1C(=O)N[C@@](C)(CCC=C(C)C)C1=O)C(=O)OCC ZINC000276657147 213027130 /nfs/dbraw/zinc/02/71/30/213027130.db2.gz RJSWJWOOWGNNRX-INIZCTEOSA-N 0 0 308.378 2.163 10 30 DEEERN C=CCCn1cc(CSCc2cnc(OC)nc2C)nn1 ZINC000594566647 358294779 /nfs/dbraw/zinc/29/47/79/358294779.db2.gz IATDOGGEASELQO-UHFFFAOYSA-N 0 0 305.407 2.395 10 30 DEEERN C=C[C@@H](NC[C@@H]1CCCc2ccc(C(=O)OC)cc21)C(=O)OC ZINC000594719594 358324914 /nfs/dbraw/zinc/32/49/14/358324914.db2.gz DOLCLXKSDKOSIU-GOEBONIOSA-N 0 0 317.385 2.210 10 30 DEEERN C=CCOCCCNC(=O)N(C)Cc1cc(C(=O)OC)c(C)o1 ZINC000595767081 358544483 /nfs/dbraw/zinc/54/44/83/358544483.db2.gz MWODLUPXKZTYEE-UHFFFAOYSA-N 0 0 324.377 2.109 10 30 DEEERN C=CCCSCCNC(=O)N1CCO[C@]2(CCSC2)C1 ZINC000595720364 358532558 /nfs/dbraw/zinc/53/25/58/358532558.db2.gz JSCRRBOMFIZVCF-CQSZACIVSA-N 0 0 316.492 2.213 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NCc3ccoc3C)cc2C1=O ZINC000618834773 363613852 /nfs/dbraw/zinc/61/38/52/363613852.db2.gz DVENPLAJSKWSIH-UHFFFAOYSA-N 0 0 324.336 2.300 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)SC[C@@H](OC)[C@H]1CCOC1 ZINC000596388950 358677501 /nfs/dbraw/zinc/67/75/01/358677501.db2.gz KVFMUUZXTGKQPL-SOUVJXGZSA-N 0 0 313.463 2.360 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)N1C[C@H](C)O[C@H](C(=O)OC)C1 ZINC000596661860 358735797 /nfs/dbraw/zinc/73/57/97/358735797.db2.gz LSPPRBHDCUSODN-YJNKXOJESA-N 0 0 324.421 2.093 10 30 DEEERN C=CCOc1cccc(CN2CCC[C@]2(COC)C(=O)OC)c1 ZINC000597223010 358859841 /nfs/dbraw/zinc/85/98/41/358859841.db2.gz YVUDGEBPLUMSGL-SFHVURJKSA-N 0 0 319.401 2.405 10 30 DEEERN C=CCC[C@@H](NCc1c(C(F)(F)F)cnn1C)C(=O)OCC ZINC000597149063 358835602 /nfs/dbraw/zinc/83/56/02/358835602.db2.gz BQVDRQINSZQNFS-LLVKDONJSA-N 0 0 319.327 2.426 10 30 DEEERN C=CCCn1cc(C(=O)NC(C)(C)c2cccc(C#N)c2)nn1 ZINC000597947135 359049901 /nfs/dbraw/zinc/04/99/01/359049901.db2.gz YYSMNDHLCREWGV-UHFFFAOYSA-N 0 0 309.373 2.391 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C(=O)OC)sc1C ZINC000597760355 359000493 /nfs/dbraw/zinc/00/04/93/359000493.db2.gz UIDNIMXTEWHCMQ-GFCCVEGCSA-N 0 0 324.402 2.253 10 30 DEEERN C=C[C@@H](O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000597823680 359016488 /nfs/dbraw/zinc/01/64/88/359016488.db2.gz OXMRWOCHWMDOCR-WUHRBBMRSA-N 0 0 311.422 2.042 10 30 DEEERN C=CCOCCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000598208767 359122927 /nfs/dbraw/zinc/12/29/27/359122927.db2.gz OUDDJUUFJCTHPP-UHFFFAOYSA-N 0 0 303.318 2.399 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000185809301 199890480 /nfs/dbraw/zinc/89/04/80/199890480.db2.gz FRQSGTWSOWUDKP-LBPRGKRZSA-N 0 0 317.307 2.223 10 30 DEEERN Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1S(C)(=O)=O ZINC000089201753 192741379 /nfs/dbraw/zinc/74/13/79/192741379.db2.gz CRKSXZJLEULDIN-UHFFFAOYSA-N 0 0 306.387 2.421 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)NCC[C@@H]1CC1(F)F ZINC000598621638 359264193 /nfs/dbraw/zinc/26/41/93/359264193.db2.gz JKMWSRJCTAZQKE-LLVKDONJSA-N 0 0 300.330 2.190 10 30 DEEERN CC(=O)CCCC(=O)NC1(c2cccc(C#N)c2)CCOCC1 ZINC000618955133 363649028 /nfs/dbraw/zinc/64/90/28/363649028.db2.gz ZAFYFADPAYFRJF-UHFFFAOYSA-N 0 0 314.385 2.439 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000598828797 359337821 /nfs/dbraw/zinc/33/78/21/359337821.db2.gz QVLYEGZSRKGYRO-ZDUSSCGKSA-N 0 0 305.334 2.313 10 30 DEEERN Cc1noc([C@H]2CN(c3c(F)cc(C#N)cc3F)C[C@@H](C)O2)n1 ZINC000599153787 359417927 /nfs/dbraw/zinc/41/79/27/359417927.db2.gz KLGAZVNNTFUTDQ-AMIZOPFISA-N 0 0 320.299 2.494 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1ccc(C#N)cc1OC ZINC000599360732 359476670 /nfs/dbraw/zinc/47/66/70/359476670.db2.gz PSZWXOICDWAWOS-UHFFFAOYSA-N 0 0 308.403 2.447 10 30 DEEERN CC#CCCNC(=O)Nc1ccc(O[C@H](C)C(=O)OC)c(F)c1 ZINC000599871119 359615596 /nfs/dbraw/zinc/61/55/96/359615596.db2.gz SKRLKLPDYWRDEQ-LLVKDONJSA-N 0 0 322.336 2.301 10 30 DEEERN C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)C[C@@H]1N1CCOCC1 ZINC000187140815 200067404 /nfs/dbraw/zinc/06/74/04/200067404.db2.gz KCBVNFXHSPHIQF-DYVFJYSZSA-N 0 0 319.836 2.364 10 30 DEEERN C=CCC[C@H](C(=O)N[C@@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000188173639 200204596 /nfs/dbraw/zinc/20/45/96/200204596.db2.gz VJHMSBZPUYZFFJ-CVEARBPZSA-N 0 0 300.402 2.473 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(C)nn1CC ZINC000627635398 366574127 /nfs/dbraw/zinc/57/41/27/366574127.db2.gz OCEOXKWIYNAJEE-UONOGXRCSA-N 0 0 318.421 2.401 10 30 DEEERN C=CCN(CC=C)C(=O)CSCc1nc(CC2CC2)no1 ZINC000601062691 359908134 /nfs/dbraw/zinc/90/81/34/359908134.db2.gz WXGVJGXYVQORJE-UHFFFAOYSA-N 0 0 307.419 2.456 10 30 DEEERN C=CCNC(=O)[C@H](C)SCc1ccc2oc(=O)n(C)c2c1 ZINC000601061696 359908249 /nfs/dbraw/zinc/90/82/49/359908249.db2.gz LZBUYPBTKRDPBH-JTQLQIEISA-N 0 0 306.387 2.055 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2OC)C1 ZINC000627736315 366604980 /nfs/dbraw/zinc/60/49/80/366604980.db2.gz UJAFNHPFUVOZIJ-LLVKDONJSA-N 0 0 306.337 2.197 10 30 DEEERN C=CCN1CC[C@@H](N(C)c2ncc(C#N)c3ccsc32)C1=O ZINC000601160255 359946911 /nfs/dbraw/zinc/94/69/11/359946911.db2.gz SRCYZDXWSFZHQI-CYBMUJFWSA-N 0 0 312.398 2.391 10 30 DEEERN C=C[C@@H]1OCC[C@H]1Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601172024 359952702 /nfs/dbraw/zinc/95/27/02/359952702.db2.gz UAZCJGAILNUQDY-RQJHMYQMSA-N 0 0 306.244 2.103 10 30 DEEERN C=C1CC(C)(C(=O)NCc2cccc(OCC(=O)OC)c2)C1 ZINC000601180191 359954204 /nfs/dbraw/zinc/95/42/04/359954204.db2.gz JJGFLUIDHWMYBQ-UHFFFAOYSA-N 0 0 303.358 2.211 10 30 DEEERN C=C(C)C[C@H](NS(=O)(=O)c1ccc(C(F)F)o1)C(=O)OC ZINC000601501395 360055563 /nfs/dbraw/zinc/05/55/63/360055563.db2.gz NIUPYEWSNVOZPW-QMMMGPOBSA-N 0 0 323.317 2.003 10 30 DEEERN C=CCC[C@H](NC(=O)c1cncc(OC)c1C)C(=O)OCC ZINC000601620470 360090455 /nfs/dbraw/zinc/09/04/55/360090455.db2.gz JXNKZASKXJNJMS-ZDUSSCGKSA-N 0 0 306.362 2.026 10 30 DEEERN C=CCC[C@@H](NC(=O)c1cn2c(n1)C[C@@H](C)CC2)C(=O)OCC ZINC000601623194 360091420 /nfs/dbraw/zinc/09/14/20/360091420.db2.gz YASHSPMUOOFAKT-QWHCGFSZSA-N 0 0 319.405 2.093 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(OC)c(C)c(OC)c1)C(=O)OC ZINC000601773267 360141851 /nfs/dbraw/zinc/14/18/51/360141851.db2.gz SKDYZLXJSCPGTB-CYBMUJFWSA-N 0 0 321.373 2.250 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(OCC)c(OC)c1)C(=O)OC ZINC000601773998 360142717 /nfs/dbraw/zinc/14/27/17/360142717.db2.gz YSJGUNWEPOPIDC-CYBMUJFWSA-N 0 0 321.373 2.332 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCNc1ccccc1C)C(=O)OC ZINC000601776503 360143600 /nfs/dbraw/zinc/14/36/00/360143600.db2.gz AUAXNCZDBZGWGJ-HNNXBMFYSA-N 0 0 304.390 2.421 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCc1nc2ccccc2[nH]1)C(=O)OC ZINC000601780452 360144639 /nfs/dbraw/zinc/14/46/39/360144639.db2.gz YDMRFTYTYRAXPJ-CQSZACIVSA-N 0 0 315.373 2.120 10 30 DEEERN C=C(C)C[C@@H](NC(=O)COc1ccc(OC)c(C)c1)C(=O)OC ZINC000601782448 360146709 /nfs/dbraw/zinc/14/67/09/360146709.db2.gz POCJQPOSKQIZRE-CQSZACIVSA-N 0 0 321.373 2.006 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1CCc2ccccc2C1)C(=O)OC ZINC000601783712 360148005 /nfs/dbraw/zinc/14/80/05/360148005.db2.gz DDNWLMFPZYPXFH-HZPDHXFCSA-N 0 0 301.386 2.416 10 30 DEEERN C=C(C)C[C@H](NC(=O)C[C@H]1OCc2ccccc21)C(=O)OC ZINC000601785806 360148550 /nfs/dbraw/zinc/14/85/50/360148550.db2.gz VBOGZGVNWFJYOW-LSDHHAIUSA-N 0 0 303.358 2.272 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc2cc(OC)ccc2[nH]1)C(=O)OC ZINC000601786130 360149448 /nfs/dbraw/zinc/14/94/48/360149448.db2.gz FLPXUMQCBVENQB-OAHLLOKOSA-N 0 0 316.357 2.414 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCCc1ccc(O)c(F)c1)C(=O)OC ZINC000601788082 360150534 /nfs/dbraw/zinc/15/05/34/360150534.db2.gz POQLSFQPPAWRJR-CQSZACIVSA-N 0 0 323.364 2.478 10 30 DEEERN C=C(C)C[C@H](NC(=O)C[C@H](C)c1c(C)noc1C)C(=O)OC ZINC000601788489 360150543 /nfs/dbraw/zinc/15/05/43/360150543.db2.gz UVKZKFCDWHHCBP-GWCFXTLKSA-N 0 0 308.378 2.409 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCc1c(C)noc1Cl)C(=O)OC ZINC000601787618 360150556 /nfs/dbraw/zinc/15/05/56/360150556.db2.gz ZXCNQJUSNJMZED-LLVKDONJSA-N 0 0 314.769 2.193 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H](C#N)CCc1ccccc1)C(=O)OC ZINC000601788697 360151401 /nfs/dbraw/zinc/15/14/01/360151401.db2.gz WSYCAOPZAXZGQD-HZPDHXFCSA-N 0 0 314.385 2.383 10 30 DEEERN CC(=O)N1CCc2cc(C(=O)N(C)[C@@H]3CCC[C@H]3C#N)ccc21 ZINC000601812479 360158597 /nfs/dbraw/zinc/15/85/97/360158597.db2.gz FNUILJCUBKQZCR-JKSUJKDBSA-N 0 0 311.385 2.360 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCc1cc(C)c(C(=O)OC)o1)OCC ZINC000601843632 360171230 /nfs/dbraw/zinc/17/12/30/360171230.db2.gz WOWRJJFCLASBLM-CYBMUJFWSA-N 0 0 309.362 2.362 10 30 DEEERN C=C(C)Cn1c(-c2cc[nH]n2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC000601869569 360179238 /nfs/dbraw/zinc/17/92/38/360179238.db2.gz HSWITTDRMACALZ-JSGCOSHPSA-N 0 0 311.393 2.373 10 30 DEEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC000601871272 360179302 /nfs/dbraw/zinc/17/93/02/360179302.db2.gz NIPRNNTWWZDZDA-OCCSQVGLSA-N 0 0 311.393 2.373 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@](OC)(C(=O)OC)C1 ZINC000602336025 360343490 /nfs/dbraw/zinc/34/34/90/360343490.db2.gz WTVXZMSHMAFHPJ-CKEIUWERSA-N 0 0 324.421 2.095 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000619222700 363739505 /nfs/dbraw/zinc/73/95/05/363739505.db2.gz IRDURECYFBZLOE-UHFFFAOYSA-N 0 0 324.764 2.148 10 30 DEEERN C=C(C)C[C@H](N[C@@H]1CC[C@@H](C(=O)OCC)[C@@H](C)C1)C(=O)OC ZINC000602733455 360524542 /nfs/dbraw/zinc/52/45/42/360524542.db2.gz IIKPQLHEXNZRJN-YJNKXOJESA-N 0 0 311.422 2.452 10 30 DEEERN C=C(C)C[C@@H](NCc1c(C)nc2sc(C)nn12)C(=O)OC ZINC000602734626 360525986 /nfs/dbraw/zinc/52/59/86/360525986.db2.gz QCFYHEYDPULNDG-LLVKDONJSA-N 0 0 308.407 2.005 10 30 DEEERN N#Cc1ccc(C(=O)NCC[C@H]2COc3ccccc3O2)cc1O ZINC000442673346 238061404 /nfs/dbraw/zinc/06/14/04/238061404.db2.gz UGBWQBDWGMSZDB-AWEZNQCLSA-N 0 0 324.336 2.224 10 30 DEEERN C=C(C)CCNC(=O)c1ncc(I)s1 ZINC000603433764 360831286 /nfs/dbraw/zinc/83/12/86/360831286.db2.gz IRSZYEYLSSCIBV-UHFFFAOYSA-N 0 0 322.171 2.444 10 30 DEEERN CCOC(=O)CC[C@@H](C)NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000089937669 192911591 /nfs/dbraw/zinc/91/15/91/192911591.db2.gz XXHYXFFRJUKXNM-CYBMUJFWSA-N 0 0 317.389 2.431 10 30 DEEERN CCN(CC)C(=O)[C@@H]1CCCN1c1ncc(C#N)cc1Cl ZINC000609632271 361331665 /nfs/dbraw/zinc/33/16/65/361331665.db2.gz MJDCBSKHEGGGHI-ZDUSSCGKSA-N 0 0 306.797 2.444 10 30 DEEERN CCc1ccc(N2CCN(C(=O)c3ccnc(C#N)c3)CC2)cc1 ZINC000193391353 201043954 /nfs/dbraw/zinc/04/39/54/201043954.db2.gz CTKIDWZJDFXQHJ-UHFFFAOYSA-N 0 0 320.396 2.478 10 30 DEEERN Cc1cc(C(=O)Nc2nc(C)nn2-c2ccc(C#N)cc2)c(C)[nH]1 ZINC000610233212 361370786 /nfs/dbraw/zinc/37/07/86/361370786.db2.gz WGOBTWDJVVYZCS-UHFFFAOYSA-N 0 0 320.356 2.067 10 30 DEEERN CC(C)(O)CN(Cc1ccccc1)C(=O)c1ccnc(C#N)c1 ZINC000193758239 201117939 /nfs/dbraw/zinc/11/79/39/201117939.db2.gz PUMDLKUZELZYMA-UHFFFAOYSA-N 0 0 309.369 2.367 10 30 DEEERN CCCC(=O)NC1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000610519274 361414832 /nfs/dbraw/zinc/41/48/32/361414832.db2.gz ABEKIRBBEDYUME-UHFFFAOYSA-N 0 0 313.401 2.008 10 30 DEEERN C=CC(C)(C)CCNC(=O)CCOc1ccc(C(N)=O)cc1 ZINC000628315817 366807415 /nfs/dbraw/zinc/80/74/15/366807415.db2.gz XOCHDTKWNIKICK-UHFFFAOYSA-N 0 0 304.390 2.273 10 30 DEEERN CCOC(=O)C[C@@](C)(NC(=O)c1ccnc(C#N)c1)C(C)C ZINC000193912523 201144099 /nfs/dbraw/zinc/14/40/99/201144099.db2.gz QWYPZZPOMQJBHD-MRXNPFEDSA-N 0 0 303.362 2.051 10 30 DEEERN Cc1nc(C(=O)NCC[C@@H]2COc3ccccc3O2)ccc1C#N ZINC000610809623 361470165 /nfs/dbraw/zinc/47/01/65/361470165.db2.gz YBRCVRXXQWDIFT-CQSZACIVSA-N 0 0 323.352 2.222 10 30 DEEERN Cc1cc(NC(=O)NCc2ccc(C#N)cc2F)c(=O)n(C)c1 ZINC000610826246 361473978 /nfs/dbraw/zinc/47/39/78/361473978.db2.gz BETPEKILXQXRPN-UHFFFAOYSA-N 0 0 314.320 2.026 10 30 DEEERN CCCN(C(=O)c1ccnc(C#N)c1)[C@@H](CC)C(=O)OCC ZINC000194343642 201206051 /nfs/dbraw/zinc/20/60/51/201206051.db2.gz OHMPHOAFJUATME-AWEZNQCLSA-N 0 0 303.362 2.147 10 30 DEEERN COC(=O)C1(CNC(=O)N2CCC(C)(C#N)CC2)CCCC1 ZINC000611544732 361627195 /nfs/dbraw/zinc/62/71/95/361627195.db2.gz UHXDSWBSMFWRNU-UHFFFAOYSA-N 0 0 307.394 2.055 10 30 DEEERN CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000611561148 361632067 /nfs/dbraw/zinc/63/20/67/361632067.db2.gz VPLIINVRVNUGHM-CYBMUJFWSA-N 0 0 305.422 2.176 10 30 DEEERN C=CCOCCCNC(=O)C(=O)NCC(C)(C)C1CCCC1 ZINC000611723382 361668224 /nfs/dbraw/zinc/66/82/24/361668224.db2.gz WWLFRHCNNGTUGW-UHFFFAOYSA-N 0 0 310.438 2.028 10 30 DEEERN N#Cc1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)ccn1 ZINC000195045716 201332399 /nfs/dbraw/zinc/33/23/99/201332399.db2.gz RICJIFKHUFIJFK-UHFFFAOYSA-N 0 0 322.368 2.038 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H](C)COCC1CC1 ZINC000612034634 361727872 /nfs/dbraw/zinc/72/78/72/361727872.db2.gz YOAQSRSYLOLCLP-BMFZPTHFSA-N 0 0 322.449 2.169 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1cccc(OC)c1C ZINC000612038833 361728831 /nfs/dbraw/zinc/72/88/31/361728831.db2.gz ZYQMRQZAQHXBFX-UHFFFAOYSA-N 0 0 318.417 2.482 10 30 DEEERN C=C[C@H](C(=O)OC)N1CCC(CN2CCc3ccccc32)CC1 ZINC000619717921 363863467 /nfs/dbraw/zinc/86/34/67/363863467.db2.gz ZLRLNOIOWJCOTA-QGZVFWFLSA-N 0 0 314.429 2.489 10 30 DEEERN COC(=O)c1cccc(NC(=O)Cc2cccc(C#N)c2)c1N ZINC000619814150 363880297 /nfs/dbraw/zinc/88/02/97/363880297.db2.gz ONWHOHDLDSGLRL-UHFFFAOYSA-N 0 0 309.325 2.108 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000620314382 364014319 /nfs/dbraw/zinc/01/43/19/364014319.db2.gz CRQQTIJZYZMRSN-USZNOCQGSA-N 0 0 316.323 2.153 10 30 DEEERN C=CCC1(C(=O)N2CCO[C@](C)(C(F)F)C2)CCOCC1 ZINC000621187980 364295581 /nfs/dbraw/zinc/29/55/81/364295581.db2.gz JNPAQQSUSCMNHK-AWEZNQCLSA-N 0 0 303.349 2.242 10 30 DEEERN C=CC[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1 ZINC000628485837 366864003 /nfs/dbraw/zinc/86/40/03/366864003.db2.gz UXJCJHWIELWIAU-JKSUJKDBSA-N 0 0 319.449 2.339 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CCNC(=O)Cc2ccccc2)C1 ZINC000628484099 366864215 /nfs/dbraw/zinc/86/42/15/366864215.db2.gz DNYXMEIAVROGIX-INIZCTEOSA-N 0 0 300.402 2.160 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CCn2cnc3sccc3c2=O)C1 ZINC000628484094 366864271 /nfs/dbraw/zinc/86/42/71/366864271.db2.gz DKYXRVRXLZQWQY-LBPRGKRZSA-N 0 0 317.414 2.273 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)c1cnc2ccccc2n1 ZINC000622874322 364817617 /nfs/dbraw/zinc/81/76/17/364817617.db2.gz OJEFRHLIHKDECZ-OAHLLOKOSA-N 0 0 312.373 2.064 10 30 DEEERN C=CCOc1ccccc1C(=O)N[C@H](COC)C1CCOCC1 ZINC000622906622 364827908 /nfs/dbraw/zinc/82/79/08/364827908.db2.gz WECTZLZSGHVDSM-MRXNPFEDSA-N 0 0 319.401 2.423 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CC2(CCC2)OC[C@H]1C ZINC000622919846 364833052 /nfs/dbraw/zinc/83/30/52/364833052.db2.gz FWRARAJFZGXDLQ-CYBMUJFWSA-N 0 0 302.374 2.430 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCCNC(=O)c2cccs2)C1 ZINC000623471533 365041156 /nfs/dbraw/zinc/04/11/56/365041156.db2.gz CGMUMUZSEIGAKV-GFCCVEGCSA-N 0 0 307.419 2.086 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCCCOCC2CCOCC2)C1 ZINC000623649634 365116458 /nfs/dbraw/zinc/11/64/58/365116458.db2.gz DBSGYKGMGQBDKT-OAHLLOKOSA-N 0 0 310.438 2.427 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCCNC(=O)c2ccccc2F)C1 ZINC000623782629 365173745 /nfs/dbraw/zinc/17/37/45/365173745.db2.gz YJBVXAJPVHFUKI-ZDUSSCGKSA-N 0 0 319.380 2.163 10 30 DEEERN C=CCC[C@H](NC(=O)N[C@H]1C[C@H](C(N)=O)C1)c1ccccc1 ZINC000623785955 365175181 /nfs/dbraw/zinc/17/51/81/365175181.db2.gz NZNAYGKITOUGFV-KKUMJFAQSA-N 0 0 301.390 2.257 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000623800489 365177606 /nfs/dbraw/zinc/17/76/06/365177606.db2.gz LZHBSYWLKVZMJC-GJZGRUSLSA-N 0 0 300.406 2.268 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCOc2cc(F)ccc2C1 ZINC000624241633 365348288 /nfs/dbraw/zinc/34/82/88/365348288.db2.gz PEVCDUDIROVLJT-WFASDCNBSA-N 0 0 320.364 2.321 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000624221478 365337816 /nfs/dbraw/zinc/33/78/16/365337816.db2.gz AXUIKROZACRZKH-UHFFFAOYSA-N 0 0 312.454 2.456 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000624306900 365375354 /nfs/dbraw/zinc/37/53/54/365375354.db2.gz STEAMOCSYFXPGP-LVQVYYBASA-N 0 0 309.454 2.092 10 30 DEEERN N#C[C@@]1([C@H](O)c2cc(Cl)c3c(c2)OCCCO3)CCOC1 ZINC000091880959 193122370 /nfs/dbraw/zinc/12/23/70/193122370.db2.gz IMAMWPHZWDCUBB-CABCVRRESA-N 0 0 309.749 2.465 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000624466219 365431653 /nfs/dbraw/zinc/43/16/53/365431653.db2.gz NTKWKERZDKGMJY-AWEZNQCLSA-N 0 0 307.438 2.385 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCC(=O)NCCc1ccccc1 ZINC000624465979 365431729 /nfs/dbraw/zinc/43/17/29/365431729.db2.gz BXTACNFAKRSJHW-UHFFFAOYSA-N 0 0 317.433 2.247 10 30 DEEERN CN(Cc1cccc(C#N)c1)C(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC000275323008 212270837 /nfs/dbraw/zinc/27/08/37/212270837.db2.gz PZDQZZUUTUBYDT-HNNXBMFYSA-N 0 0 324.384 2.068 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N(CC2(C(F)(F)F)CCCC2)C1=O ZINC000629498814 367224619 /nfs/dbraw/zinc/22/46/19/367224619.db2.gz AVOJUSMCDFNFMR-JTQLQIEISA-N 0 0 320.311 2.232 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(Cc2cccs2)C1 ZINC000629629926 367279593 /nfs/dbraw/zinc/27/95/93/367279593.db2.gz WQQRICRVQSIGSL-HNNXBMFYSA-N 0 0 306.431 2.220 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2ccc(OCC)c(OC)c2)C1=O ZINC000630504315 367694809 /nfs/dbraw/zinc/69/48/09/367694809.db2.gz CKAQIXFZOLNCBE-LBPRGKRZSA-N 0 0 304.346 2.485 10 30 DEEERN N#CCc1ccc(S(=O)(=O)Nc2cc(F)ccc2N)cc1 ZINC000092132055 193166676 /nfs/dbraw/zinc/16/66/76/193166676.db2.gz JTQMRQWWVWNDDI-UHFFFAOYSA-N 0 0 305.334 2.275 10 30 DEEERN C=C1CC(C)(C(=O)Nc2cccc(OCC(=O)NCC)c2)C1 ZINC000630728278 367814717 /nfs/dbraw/zinc/81/47/17/367814717.db2.gz JVMNWNVDNVGCFJ-UHFFFAOYSA-N 0 0 302.374 2.496 10 30 DEEERN C=C1CC(C)(C(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)C1 ZINC000630948307 367928406 /nfs/dbraw/zinc/92/84/06/367928406.db2.gz SDRQKPUKGYFYKA-ZDUSSCGKSA-N 0 0 300.406 2.287 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCCN(C)c2ccccc2)C1=O ZINC000630966885 367940521 /nfs/dbraw/zinc/94/05/21/367940521.db2.gz ZMSDVUBGPXUQRD-HNNXBMFYSA-N 0 0 301.390 2.400 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2cc(OC)ccc2OC)C1=O ZINC000630967921 367941389 /nfs/dbraw/zinc/94/13/89/367941389.db2.gz QKGMUXCPCQRSMB-CYBMUJFWSA-N 0 0 304.346 2.090 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2c(C)cc(C)nc2OC)C1=O ZINC000630968217 367941610 /nfs/dbraw/zinc/94/16/10/367941610.db2.gz CABOZAJBDFEQAX-ZDUSSCGKSA-N 0 0 303.362 2.094 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H](C)Oc2ccccc2F)C1=O ZINC000630973383 367945200 /nfs/dbraw/zinc/94/52/00/367945200.db2.gz CIESSCLUGVLUFM-AAEUAGOBSA-N 0 0 306.337 2.480 10 30 DEEERN C=C1CC(C)(C(=O)N2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000631639688 368322199 /nfs/dbraw/zinc/32/21/99/368322199.db2.gz RNIRFQWVSSMRBL-UHFFFAOYSA-N 0 0 300.402 2.393 10 30 DEEERN C=C(CN1c2cc(F)c(Cl)cc2C(=O)C1=O)C(=O)OCC ZINC000092749643 193187541 /nfs/dbraw/zinc/18/75/41/193187541.db2.gz DUPPXUPOQACJNL-UHFFFAOYSA-N 0 0 311.696 2.128 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452504582 244342396 /nfs/dbraw/zinc/34/23/96/244342396.db2.gz RJLSJCLPIRGCNX-KYJSFNMBSA-N 0 0 321.392 2.294 10 30 DEEERN CN[C@]1(C#N)CCC[C@H]1CCSc1ncnc2[nH]cnc21 ZINC000093581083 193269763 /nfs/dbraw/zinc/26/97/63/193269763.db2.gz KRIMMLZOSCPCDB-HZMBPMFUSA-N 0 0 302.407 2.117 10 30 DEEERN CN[C@]1(C#N)CCC[C@H]1CCSc1nnc2ccccn21 ZINC000093581289 193270013 /nfs/dbraw/zinc/27/00/13/193270013.db2.gz XUGFSABAQKNMIO-WFASDCNBSA-N 0 0 301.419 2.493 10 30 DEEERN C#CCCOc1ccc(CN2CCS(=O)(=O)C(C)(C)C2)cc1 ZINC000093735503 193298123 /nfs/dbraw/zinc/29/81/23/193298123.db2.gz HXMCRIHZKCRUFU-UHFFFAOYSA-N 0 0 321.442 2.098 10 30 DEEERN C[C@H](C(=O)c1ccc(Br)cc1)N1CCO[C@H](C#N)C1 ZINC000093933241 193329651 /nfs/dbraw/zinc/32/96/51/193329651.db2.gz OKMBIQKDJWRKHF-ZWNOBZJWSA-N 0 0 323.190 2.245 10 30 DEEERN CN(CCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1C#N ZINC000094301719 193358220 /nfs/dbraw/zinc/35/82/20/193358220.db2.gz IELVGMWVLKIUDH-UHFFFAOYSA-N 0 0 306.309 2.058 10 30 DEEERN CC1(C)CC[C@](C#N)([C@H]2CS(=O)(=O)c3ccccc32)C1=O ZINC000094314586 193359753 /nfs/dbraw/zinc/35/97/53/193359753.db2.gz UUTVXSYFTRPNOJ-LRDDRELGSA-N 0 0 303.383 2.457 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cc1N ZINC000094045957 193341272 /nfs/dbraw/zinc/34/12/72/193341272.db2.gz YHYPPMUZSQFBRZ-PELKAZGASA-N 0 0 308.179 2.453 10 30 DEEERN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(Br)c(N)c1 ZINC000094187772 193347578 /nfs/dbraw/zinc/34/75/78/193347578.db2.gz VMGGSIPELDOOBF-QMMMGPOBSA-N 0 0 318.196 2.075 10 30 DEEERN Cc1cc(F)c(N)cc1S(=O)(=O)N(CCC#N)CC(C)C ZINC000094779386 193396706 /nfs/dbraw/zinc/39/67/06/193396706.db2.gz RGYCGWBJEVBHIU-UHFFFAOYSA-N 0 0 313.398 2.277 10 30 DEEERN O=C(NCC#Cc1ccccc1F)c1cnn(-c2ccccc2)n1 ZINC000096343118 193613947 /nfs/dbraw/zinc/61/39/47/193613947.db2.gz PPHFFKGILNNDHO-UHFFFAOYSA-N 0 0 320.327 2.188 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N(C)[C@H](C)C(C)(C)O ZINC000453864636 245331077 /nfs/dbraw/zinc/33/10/77/245331077.db2.gz CXWVJCZYVIMXLV-CYBMUJFWSA-N 0 0 318.417 2.362 10 30 DEEERN Cc1nc(NC(=O)C(=O)NCC2CCCCCC2)ccc1C#N ZINC000453897233 245350846 /nfs/dbraw/zinc/35/08/46/245350846.db2.gz IHGRCNGMFWFDHR-UHFFFAOYSA-N 0 0 314.389 2.287 10 30 DEEERN C=CCN1C(=O)COc2ccc(NC(=O)c3ccncc3)cc21 ZINC000012290006 181746342 /nfs/dbraw/zinc/74/63/42/181746342.db2.gz AFIMKSBPUSMIJS-UHFFFAOYSA-N 0 0 309.325 2.245 10 30 DEEERN C=CCN(C)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000161596314 197506620 /nfs/dbraw/zinc/50/66/20/197506620.db2.gz NNBRMNWWAIDGHD-UHFFFAOYSA-N 0 0 307.293 2.238 10 30 DEEERN C=C(Br)CNc1cc(C(N)=O)ccc1[N+](=O)[O-] ZINC000161460692 197496549 /nfs/dbraw/zinc/49/65/49/197496549.db2.gz JVVCMQJGTIYHDG-UHFFFAOYSA-N 0 0 300.112 2.014 10 30 DEEERN Cc1nn(-c2ccccc2)c(C)c1C=NNc1nc(C)cc(=O)[nH]1 ZINC000018037744 182090381 /nfs/dbraw/zinc/09/03/81/182090381.db2.gz ZUYRXTXLPACQRM-VCHYOVAHSA-N 0 0 322.372 2.327 10 30 DEEERN COc1ccc(Br)c(CC(=O)N[C@@H](C#N)C2CC2)c1 ZINC000160159569 197390086 /nfs/dbraw/zinc/39/00/86/197390086.db2.gz JIVBDNMLTROLOG-ZDUSSCGKSA-N 0 0 323.190 2.419 10 30 DEEERN Cc1cnn(C[C@@H]2CN(CC#Cc3ccc(F)cc3)CCO2)c1 ZINC000159988007 197379193 /nfs/dbraw/zinc/37/91/93/197379193.db2.gz HRYRQTKKTRAFEO-SFHVURJKSA-N 0 0 313.376 2.083 10 30 DEEERN N#CCCN(c1ccccc1)S(=O)(=O)c1cccc(N)c1 ZINC000021500523 182275371 /nfs/dbraw/zinc/27/53/71/182275371.db2.gz HBTPWDBERHMISC-UHFFFAOYSA-N 0 0 301.371 2.378 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)Nc1ccc(OC)c(OC)c1OC ZINC000454705826 246081758 /nfs/dbraw/zinc/08/17/58/246081758.db2.gz KMPKCMNOQWLNRY-NSHDSACASA-N 0 0 324.377 2.161 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC1(C)CCC1 ZINC000267645148 206192635 /nfs/dbraw/zinc/19/26/35/206192635.db2.gz KGZPZTPBDWMEFX-UHFFFAOYSA-N 0 0 318.348 2.083 10 30 DEEERN C=CCCCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000274446615 211621508 /nfs/dbraw/zinc/62/15/08/211621508.db2.gz GDDQFOGZZIBCLW-GOEBONIOSA-N 0 0 301.390 2.074 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1ccc(OCCO)c(OC)c1 ZINC000274324159 211514791 /nfs/dbraw/zinc/51/47/91/211514791.db2.gz GXFXLVPFAUFWOM-ZDUSSCGKSA-N 0 0 307.390 2.285 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000458609668 248398529 /nfs/dbraw/zinc/39/85/29/248398529.db2.gz CASPHCMJXNLYPN-VXGBXAGGSA-N 0 0 307.350 2.282 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)c1cc2c(=O)[nH]cnc2cn1 ZINC000489421470 248836056 /nfs/dbraw/zinc/83/60/56/248836056.db2.gz CIFSHAOFIJJTJF-UHFFFAOYSA-N 0 0 324.340 2.194 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000491762349 248959506 /nfs/dbraw/zinc/95/95/06/248959506.db2.gz LBPXZQWDKYSDQQ-GFCCVEGCSA-N 0 0 321.327 2.499 10 30 DEEERN N#C[C@H](c1ccccc1F)N1CCN(C(=O)c2ccco2)CC1 ZINC000041257647 183181650 /nfs/dbraw/zinc/18/16/50/183181650.db2.gz ODLJRBSIWVNYKI-OAHLLOKOSA-N 0 0 313.332 2.441 10 30 DEEERN C[C@@H](CN(C)C(=O)c1cccc(Cl)c1Cl)/C(N)=N/O ZINC000042459123 183272796 /nfs/dbraw/zinc/27/27/96/183272796.db2.gz VBLVTRXIUQVZOV-ZETCQYMHSA-N 0 0 304.177 2.448 10 30 DEEERN CC[C@@](C)(C#N)NS(=O)(=O)c1sccc1Br ZINC000042524375 183280408 /nfs/dbraw/zinc/28/04/08/183280408.db2.gz CZLJXLYKAMYRQI-VIFPVBQESA-N 0 0 323.237 2.481 10 30 DEEERN CN(Cc1cc(C#CCO)cs1)C(=O)c1ccccc1O ZINC000042400863 183264086 /nfs/dbraw/zinc/26/40/86/183264086.db2.gz ZTHBUEJFUYEMGY-UHFFFAOYSA-N 0 0 301.367 2.070 10 30 DEEERN C[C@H](N(C)S(=O)(=O)c1cccc(C#CCO)c1)C(C)(C)C ZINC000042798010 183310735 /nfs/dbraw/zinc/31/07/35/183310735.db2.gz IVOBGPMTYNYXDS-ZDUSSCGKSA-N 0 0 309.431 2.086 10 30 DEEERN C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1c1ccc(F)cc1C#N ZINC000284493562 218051193 /nfs/dbraw/zinc/05/11/93/218051193.db2.gz GOLVHFTWGVXQCO-XIRDDKMYSA-N 0 0 304.365 2.454 10 30 DEEERN CCCCS(=O)(=O)N[C@H](C)c1ccc(C#CCCO)cc1 ZINC000049590798 183744321 /nfs/dbraw/zinc/74/43/21/183744321.db2.gz UXEOREORFOHRSE-CQSZACIVSA-N 0 0 309.431 2.201 10 30 DEEERN Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C#CC[NH3+])c2)s1 ZINC000109436233 194262677 /nfs/dbraw/zinc/26/26/77/194262677.db2.gz SNMJRCBBZRGGES-UHFFFAOYSA-N 0 0 320.439 2.476 10 30 DEEERN C[C@@H](C#N)N1CCN(Cc2ccccc2Br)CC1 ZINC000109452440 194264522 /nfs/dbraw/zinc/26/45/22/194264522.db2.gz IUZHWDSGAVATEL-LBPRGKRZSA-N 0 0 308.223 2.479 10 30 DEEERN Cc1nnc(SCc2ccc(C#CCCO)cc2F)n1C ZINC000109982352 194301956 /nfs/dbraw/zinc/30/19/56/194301956.db2.gz ZGNMOFZNHNINMJ-UHFFFAOYSA-N 0 0 305.378 2.289 10 30 DEEERN CN(Cc1csc(C#CCO)c1)C(=O)[C@H]1CCCCS1 ZINC000156273456 197099946 /nfs/dbraw/zinc/09/99/46/197099946.db2.gz BCNLXSSERCQPEV-CQSZACIVSA-N 0 0 309.456 2.336 10 30 DEEERN N#Cc1cc(S(=O)(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)ccc1F ZINC000110909124 194368334 /nfs/dbraw/zinc/36/83/34/194368334.db2.gz NFNZJOIQVDPWJX-LOWVWBTDSA-N 0 0 308.378 2.412 10 30 DEEERN C[C@H](NS(=O)(=O)C(C)(C)C)c1ccc(C#CCCO)cc1 ZINC000111073161 194389670 /nfs/dbraw/zinc/38/96/70/194389670.db2.gz XIKVKRMSXSTHDR-ZDUSSCGKSA-N 0 0 309.431 2.199 10 30 DEEERN O=C(Nc1cc(C#CCCO)ccc1Cl)C1CCOCC1 ZINC000061691700 184182972 /nfs/dbraw/zinc/18/29/72/184182972.db2.gz OSTUXRLPSFACHT-UHFFFAOYSA-N 0 0 307.777 2.439 10 30 DEEERN CN(c1cccc(C#N)c1)S(=O)(=O)c1cnc(Cl)s1 ZINC000061980164 184199480 /nfs/dbraw/zinc/19/94/80/184199480.db2.gz OZFPIXRIGCCRRG-UHFFFAOYSA-N 0 0 313.791 2.493 10 30 DEEERN CN(c1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1N ZINC000061979685 184199611 /nfs/dbraw/zinc/19/96/11/184199611.db2.gz GTFYAUSISJDSMJ-UHFFFAOYSA-N 0 0 305.334 2.105 10 30 DEEERN Cc1cc(N)cc(S(=O)(=O)N(C)c2cccc(C#N)c2)c1 ZINC000061979717 184199885 /nfs/dbraw/zinc/19/98/85/184199885.db2.gz OKRWVIYZIYCMNK-UHFFFAOYSA-N 0 0 301.371 2.274 10 30 DEEERN CCCN[C@H](C#N)CCSc1ccc(S(C)(=O)=O)cc1 ZINC000063131765 184272233 /nfs/dbraw/zinc/27/22/33/184272233.db2.gz UTFBUELYQHTZAY-LBPRGKRZSA-N 0 0 312.460 2.464 10 30 DEEERN C[C@@H](O)CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000114821109 194695255 /nfs/dbraw/zinc/69/52/55/194695255.db2.gz JFLSTPUUGKKGND-LLVKDONJSA-N 0 0 314.307 2.127 10 30 DEEERN O=[N+]([O-])c1cc(/C=N/n2cncn2)ccc1N1CCCCC1 ZINC000005127552 285081892 /nfs/dbraw/zinc/08/18/92/285081892.db2.gz XNUHGUATTPRCJQ-CXUHLZMHSA-N 0 0 300.322 2.059 10 30 DEEERN C=CCn1ncc(NC[C@H](C)OCC)c(Br)c1=O ZINC000158613223 197287577 /nfs/dbraw/zinc/28/75/77/197287577.db2.gz WWFNGETZLXPWSR-VIFPVBQESA-N 0 0 316.199 2.029 10 30 DEEERN CC#CCNc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000158547397 197283274 /nfs/dbraw/zinc/28/32/74/197283274.db2.gz LUWPQGGUMWKKJE-UHFFFAOYSA-N 0 0 324.100 2.003 10 30 DEEERN CC[C@H]1CN(C(=O)c2ccc(C)c(C#CCO)c2)CCS1 ZINC000157972532 197232047 /nfs/dbraw/zinc/23/20/47/197232047.db2.gz LMNHXPFYKYGZQQ-INIZCTEOSA-N 0 0 303.427 2.306 10 30 DEEERN N#C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCS(=O)(=O)C1 ZINC000157588955 197200233 /nfs/dbraw/zinc/20/02/33/197200233.db2.gz CMQLYBXGTIFNAA-GFCCVEGCSA-N 0 0 319.304 2.456 10 30 DEEERN C#CCCNc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000157592258 197200017 /nfs/dbraw/zinc/20/00/17/197200017.db2.gz VBQLPVSKAYOWQC-UHFFFAOYSA-N 0 0 324.100 2.003 10 30 DEEERN N#C[C@]1(Cc2ccn(C3CCCCC3)n2)CCS(=O)(=O)C1 ZINC000157583557 197200043 /nfs/dbraw/zinc/20/00/43/197200043.db2.gz CUDFFYBRHWTMPY-OAHLLOKOSA-N 0 0 307.419 2.259 10 30 DEEERN CN(Cc1cc(C#N)ccc1F)C(=O)c1nnc(Cl)s1 ZINC000157232663 197171617 /nfs/dbraw/zinc/17/16/17/197171617.db2.gz OBKKZTDNHDMHPP-UHFFFAOYSA-N 0 0 310.741 2.474 10 30 DEEERN C#CCn1ncc(N[C@H](C)[C@@H](C)CC)c(Br)c1=O ZINC000156791624 197141238 /nfs/dbraw/zinc/14/12/38/197141238.db2.gz FATBMLTYSKVPDO-VHSXEESVSA-N 0 0 312.211 2.486 10 30 DEEERN Cc1cccc(CNS(=O)(=O)c2cccc(C)c2C#N)n1 ZINC000156632400 197128995 /nfs/dbraw/zinc/12/89/95/197128995.db2.gz RBOIGHYWQNNLSG-UHFFFAOYSA-N 0 0 301.371 2.049 10 30 DEEERN Cc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2C#N)n1 ZINC000156632685 197129133 /nfs/dbraw/zinc/12/91/33/197129133.db2.gz HGKLREGIQMEMCY-UHFFFAOYSA-N 0 0 321.789 2.394 10 30 DEEERN Cc1ccc(C#CCO)cc1C(=O)NC[C@H]1CCCCS1 ZINC000156558802 197123746 /nfs/dbraw/zinc/12/37/46/197123746.db2.gz NUFGJSDFEZSPLE-OAHLLOKOSA-N 0 0 303.427 2.354 10 30 DEEERN COc1ncnc2c1CN(CCCOc1cccc(C#N)c1)CC2 ZINC000155959445 197077644 /nfs/dbraw/zinc/07/76/44/197077644.db2.gz NUMILHMUGZXGFX-UHFFFAOYSA-N 0 0 324.384 2.184 10 30 DEEERN CCN(C(=O)[C@H]1CSC(=O)N1)[C@@H](C)c1ccc(C#N)cc1 ZINC000155320681 197043678 /nfs/dbraw/zinc/04/36/78/197043678.db2.gz SBIVSXMZLRKLRX-GXFFZTMASA-N 0 0 303.387 2.293 10 30 DEEERN Cc1ncc(CN2CCN(Cc3ccc(C#N)o3)CC2)s1 ZINC000120436246 195166577 /nfs/dbraw/zinc/16/65/77/195166577.db2.gz RMOZSYFWXHOULB-UHFFFAOYSA-N 0 0 302.403 2.234 10 30 DEEERN C=CCc1cc(C(=O)N[C@H](C)[C@H](C)CO)cc(OC)c1OC ZINC000151892078 196742523 /nfs/dbraw/zinc/74/25/23/196742523.db2.gz BKSIAPXYUIUNIN-VXGBXAGGSA-N 0 0 307.390 2.179 10 30 DEEERN C=CCO[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)Cc1ccsc1 ZINC000253377140 257106310 /nfs/dbraw/zinc/10/63/10/257106310.db2.gz WCVRMLFDZGALEB-IIAWOOMASA-N 0 0 307.415 2.252 10 30 DEEERN CO[C@@H]1CCN(C(=O)c2cccc(C#N)c2)[C@@H]1Cc1ccncc1 ZINC000247815658 257117338 /nfs/dbraw/zinc/11/73/38/257117338.db2.gz FXFNHDIZMDRXPH-QZTJIDSGSA-N 0 0 321.380 2.425 10 30 DEEERN C=CCO[C@@H]1CN(C(=O)c2cccc(F)c2)[C@H]2CCCO[C@@H]12 ZINC000253374651 257105576 /nfs/dbraw/zinc/10/55/76/257105576.db2.gz NCDGCNPSORKAER-ARFHVFGLSA-N 0 0 305.349 2.400 10 30 DEEERN C=CCO[C@@H]1CN(C(=O)COc2ccccc2)[C@H]2CCCO[C@@H]12 ZINC000253375410 257105689 /nfs/dbraw/zinc/10/56/89/257105689.db2.gz PSBOFCVSPOWDPE-LZLYRXPVSA-N 0 0 317.385 2.026 10 30 DEEERN C[C@H](C(=O)N1CCCCCc2ccccc21)n1cnc(C#N)n1 ZINC000544032375 285329238 /nfs/dbraw/zinc/32/92/38/285329238.db2.gz QFQKQJXYLUUAMS-CYBMUJFWSA-N 0 0 309.373 2.470 10 30 DEEERN COCCOc1ccc(CC(=O)NC2(C#N)CCCC2)cc1 ZINC000192089438 533232109 /nfs/dbraw/zinc/23/21/09/533232109.db2.gz OWYXHEBAIPYAPJ-UHFFFAOYSA-N 0 0 302.374 2.207 10 30 DEEERN C=CCCS(=O)(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000120950963 195269506 /nfs/dbraw/zinc/26/95/06/195269506.db2.gz YUMSGILXTOBRJR-IUODEOHRSA-N 0 0 313.394 2.493 10 30 DEEERN N#C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000121832259 195358425 /nfs/dbraw/zinc/35/84/25/195358425.db2.gz DGSKLXHHBNRYRT-LLVKDONJSA-N 0 0 324.134 2.389 10 30 DEEERN C#CC[C@@H](CC)Nc1ncc(I)cn1 ZINC000122718208 195490855 /nfs/dbraw/zinc/49/08/55/195490855.db2.gz ZNNCXYFKFQJESJ-SECBINFHSA-N 0 0 301.131 2.295 10 30 DEEERN C#CCN1C(=O)N=C(N)[C@]12CCc1cc(Br)ccc12 ZINC000128063377 195932812 /nfs/dbraw/zinc/93/28/12/195932812.db2.gz DUTVSBYQLXNWAN-CQSZACIVSA-N 0 0 318.174 2.017 10 30 DEEERN CCc1cc(C#CCCO)ccc1NC(=O)c1cnns1 ZINC000128140431 195939727 /nfs/dbraw/zinc/93/97/27/195939727.db2.gz ATNZVXWIPGYDIN-UHFFFAOYSA-N 0 0 301.371 2.087 10 30 DEEERN CO[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000441435674 533406956 /nfs/dbraw/zinc/40/69/56/533406956.db2.gz MVNAENHNOKANTC-PBFPGSCMSA-N 0 0 324.421 2.274 10 30 DEEERN Cc1nn(C)c(C)c1NC(=O)NCc1cc(C#N)ccc1F ZINC000357834251 133103523 /nfs/dbraw/zinc/10/35/23/133103523.db2.gz ZVSXWTQYNUAUOT-UHFFFAOYSA-N 0 0 301.325 2.369 10 30 DEEERN N#Cc1ccsc1C(=O)Nc1cc(C2CCOCC2)[nH]n1 ZINC000362020489 133205734 /nfs/dbraw/zinc/20/57/34/133205734.db2.gz ADIBWNRVBBIWGR-UHFFFAOYSA-N 0 0 302.359 2.489 10 30 DEEERN CC1(C)CN(C(=O)c2sccc2C#N)C[C@@]2(CCOC2)O1 ZINC000373625910 133398349 /nfs/dbraw/zinc/39/83/49/133398349.db2.gz BSIMHBQQEZOTAK-OAHLLOKOSA-N 0 0 306.387 2.030 10 30 DEEERN O=C[C@@H]1CCCCN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000054268380 134772538 /nfs/dbraw/zinc/77/25/38/134772538.db2.gz RHFXHPFKYYLOEG-VIFPVBQESA-N 0 0 314.139 2.310 10 30 DEEERN CCCCN(C)C(=O)C1CCN(c2ccncc2C#N)CC1 ZINC000548153683 285695611 /nfs/dbraw/zinc/69/56/11/285695611.db2.gz ALJPXSPZURNGJN-UHFFFAOYSA-N 0 0 300.406 2.428 10 30 DEEERN C[C@H](CC(=O)N1CC[C@@]2(CNC(=O)C2)C1)NC(=O)C1CCCC1 ZINC000329871592 404477315 /nfs/dbraw/zinc/47/73/15/404477315.db2.gz AWQVFLXXVJHBPN-SJKOYZFVSA-N 0 0 321.421 2.491 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1CCO[C@@]2(CCSC2)C1 ZINC000564905718 292119785 /nfs/dbraw/zinc/11/97/85/292119785.db2.gz TZZQQUJOZONAGD-INIZCTEOSA-N 0 0 302.399 2.473 10 30 DEEERN N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CCC(=O)N2)cc1 ZINC000091101285 144598406 /nfs/dbraw/zinc/59/84/06/144598406.db2.gz QMXKYUBIYPKKCI-QGZVFWFLSA-N 0 0 319.364 2.120 10 30 DEEERN Cc1nc(C)c(C(=O)NCCOc2ccc(C#N)cc2)s1 ZINC000173904993 144852537 /nfs/dbraw/zinc/85/25/37/144852537.db2.gz PVBKDFBMNJBGOP-UHFFFAOYSA-N 0 0 301.371 2.440 10 30 DEEERN N#Cc1ccc(CSc2nnc(CO)n2C2CC2)cc1F ZINC000188137901 145007737 /nfs/dbraw/zinc/00/77/37/145007737.db2.gz QKBZVRUQGXJADV-UHFFFAOYSA-N 0 0 304.350 2.408 10 30 DEEERN N#Cc1c(F)cccc1C(=O)N1CCC(Cn2cccn2)CC1 ZINC000189729275 145032668 /nfs/dbraw/zinc/03/26/68/145032668.db2.gz UIMGVNCIVTZILW-UHFFFAOYSA-N 0 0 312.348 2.446 10 30 DEEERN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccnc(C#N)c2)c1 ZINC000192913168 145080451 /nfs/dbraw/zinc/08/04/51/145080451.db2.gz SSAMGVIXTGOMBV-NSHDSACASA-N 0 0 324.340 2.179 10 30 DEEERN COC(=O)[C@H](C)[C@H](NC(=O)c1ccnc(C#N)c1)c1ccccc1 ZINC000193427827 145085750 /nfs/dbraw/zinc/08/57/50/145085750.db2.gz BOZBUWQXNOHQMG-WBMJQRKESA-N 0 0 323.352 2.233 10 30 DEEERN CCSCC[C@H](C)NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000312506915 145354417 /nfs/dbraw/zinc/35/44/17/145354417.db2.gz FXFYJHHEVUQSSM-JTQLQIEISA-N 0 0 313.448 2.072 10 30 DEEERN N#Cc1ccccc1OCC(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000371678640 148129623 /nfs/dbraw/zinc/12/96/23/148129623.db2.gz DKEDZVALBRTXFX-UHFFFAOYSA-N 0 0 319.324 2.361 10 30 DEEERN Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)n1 ZINC000375033751 148320972 /nfs/dbraw/zinc/32/09/72/148320972.db2.gz BBYVPZLUJFIEGI-INIZCTEOSA-N 0 0 311.389 2.395 10 30 DEEERN CC[C@@H](C#N)Sc1nc2ccccc2c(=O)n1CCCO ZINC000127040574 401717969 /nfs/dbraw/zinc/71/79/69/401717969.db2.gz QLAMPUMSUJGRDQ-NSHDSACASA-N 0 0 303.387 2.173 10 30 DEEERN N#Cc1ccc(NC(=O)CN2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114482225 401801913 /nfs/dbraw/zinc/80/19/13/401801913.db2.gz KJTYBTGFEHFNTC-INIZCTEOSA-N 0 0 309.373 2.447 10 30 DEEERN N#CCCCCS(=O)(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000127863171 401753186 /nfs/dbraw/zinc/75/31/86/401753186.db2.gz GDIJOPDBGNPMAV-GFCCVEGCSA-N 0 0 314.432 2.145 10 30 DEEERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC1(C#N)CCCC1 ZINC000112903683 401761241 /nfs/dbraw/zinc/76/12/41/401761241.db2.gz DBRRATRXRLICBU-GFCCVEGCSA-N 0 0 300.362 2.149 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)s1 ZINC000128640172 401786063 /nfs/dbraw/zinc/78/60/63/401786063.db2.gz SLAVWCURFULBLW-GFCCVEGCSA-N 0 0 317.418 2.452 10 30 DEEERN C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)CCS1 ZINC000113944238 401788235 /nfs/dbraw/zinc/78/82/35/401788235.db2.gz ZTVDPYKQPAQNKR-VIFPVBQESA-N 0 0 316.835 2.338 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H](Cc1ccccc1)n1nnnc1C ZINC000076489901 401796525 /nfs/dbraw/zinc/79/65/25/401796525.db2.gz SCVJLXKXHITLSU-MRXNPFEDSA-N 0 0 313.405 2.190 10 30 DEEERN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@@H](C)CO ZINC000077691707 401826207 /nfs/dbraw/zinc/82/62/07/401826207.db2.gz RRSHYWJFKZKJKU-RYUDHWBXSA-N 0 0 305.378 2.484 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)c3cccc(C#N)c3)C2)cc1 ZINC000130340881 401828226 /nfs/dbraw/zinc/82/82/26/401828226.db2.gz AWZVTFRDQRXNGT-UHFFFAOYSA-N 0 0 303.321 2.333 10 30 DEEERN CC(C)(C)c1cc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)[nH]n1 ZINC000130390499 401829728 /nfs/dbraw/zinc/82/97/28/401829728.db2.gz CCCAVDJAKNNFIZ-UHFFFAOYSA-N 0 0 324.384 2.482 10 30 DEEERN COc1cc(F)ccc1N1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000115609223 401833575 /nfs/dbraw/zinc/83/35/75/401833575.db2.gz VUWWUZAHERUQOM-CQSZACIVSA-N 0 0 316.380 2.400 10 30 DEEERN N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116576995 401855512 /nfs/dbraw/zinc/85/55/12/401855512.db2.gz XARQRDKMVTZANL-AWEZNQCLSA-N 0 0 309.325 2.453 10 30 DEEERN C=CC[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000116987947 401866749 /nfs/dbraw/zinc/86/67/49/401866749.db2.gz GHMHJXNRNZFODE-TZMCWYRMSA-N 0 0 302.374 2.078 10 30 DEEERN Cc1nn(C)c(C)c1CCNC(=O)c1c(F)cc(C#N)cc1F ZINC000119217766 401933806 /nfs/dbraw/zinc/93/38/06/401933806.db2.gz MOBRINNAZSMNOX-UHFFFAOYSA-N 0 0 318.327 2.159 10 30 DEEERN N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CCS(=O)(=O)C1 ZINC000037333869 401912170 /nfs/dbraw/zinc/91/21/70/401912170.db2.gz HNJZBQDUZYYYBZ-JTQLQIEISA-N 0 0 304.293 2.176 10 30 DEEERN C=C[C@@H](CC(=O)NC[C@H]1CN(C2CC2)CCO1)c1ccccc1 ZINC000134813116 401915743 /nfs/dbraw/zinc/91/57/43/401915743.db2.gz ULJJGBUYGMDPKB-YJBOKZPZSA-N 0 0 314.429 2.326 10 30 DEEERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000045250409 401956024 /nfs/dbraw/zinc/95/60/24/401956024.db2.gz ZPHRKRKNACWYCZ-UHFFFAOYSA-N 0 0 310.313 2.442 10 30 DEEERN N#Cc1cc(NCc2nc(C(F)(F)F)cc(=O)[nH]2)ccc1F ZINC000090371524 401981603 /nfs/dbraw/zinc/98/16/03/401981603.db2.gz SRAPCJIVMNDDHQ-UHFFFAOYSA-N 0 0 312.226 2.412 10 30 DEEERN C=CCOc1ccc(CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)cc1 ZINC000093559251 402016573 /nfs/dbraw/zinc/01/65/73/402016573.db2.gz SHBGVKASESZSPL-KGLIPLIRSA-N 0 0 309.431 2.259 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@@H]([S@](=O)c2cc(C#N)ccn2)C1 ZINC000095083400 402024630 /nfs/dbraw/zinc/02/46/30/402024630.db2.gz RKVCIOCRJPDCDN-VERVWZFWSA-N 0 0 321.402 2.070 10 30 DEEERN C=CCNC(=O)[C@@H](C)Nc1ccc(CCC(=O)OCC)cc1 ZINC000151840400 402059927 /nfs/dbraw/zinc/05/99/27/402059927.db2.gz OZTTUQOEQJMHIN-CYBMUJFWSA-N 0 0 304.390 2.285 10 30 DEEERN C#CCSCCNC(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000121492704 402039773 /nfs/dbraw/zinc/03/97/73/402039773.db2.gz LYTRXPSXCIANEN-UHFFFAOYSA-N 0 0 320.462 2.158 10 30 DEEERN CC(C)C(=O)N1CCC(NC(=O)c2cccc(CC#N)c2)CC1 ZINC000052516746 402042970 /nfs/dbraw/zinc/04/29/70/402042970.db2.gz XXKBMXUEFWPQJI-UHFFFAOYSA-N 0 0 313.401 2.129 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC2(C#N)CCCC2)C1 ZINC000151665419 402049245 /nfs/dbraw/zinc/04/92/45/402049245.db2.gz QTWQSMPNLGZSQH-GFCCVEGCSA-N 0 0 307.394 2.196 10 30 DEEERN CN(CC(=O)N(CCC#N)CCC#N)Cc1ccc(Cl)cc1 ZINC000052919746 402049265 /nfs/dbraw/zinc/04/92/65/402049265.db2.gz FWTLJJLFURTKSB-UHFFFAOYSA-N 0 0 318.808 2.428 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000150866416 402001620 /nfs/dbraw/zinc/00/16/20/402001620.db2.gz SRYIOJGHCLRNNB-OAHLLOKOSA-N 0 0 302.422 2.274 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cccc(C)c1C(=O)OC ZINC000122451305 402079027 /nfs/dbraw/zinc/07/90/27/402079027.db2.gz MADCPCPXTFOSKW-UHFFFAOYSA-N 0 0 311.403 2.368 10 30 DEEERN CC(C)COC1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000055284821 402079551 /nfs/dbraw/zinc/07/95/51/402079551.db2.gz JVBOPFVIBZRCBO-UHFFFAOYSA-N 0 0 322.430 2.384 10 30 DEEERN COCc1ccc(CN2CCN(c3ncccc3C#N)CC2)cc1 ZINC000122925783 402101278 /nfs/dbraw/zinc/10/12/78/402101278.db2.gz BYWAPCLOSHQWIZ-UHFFFAOYSA-N 0 0 322.412 2.422 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCC(C(=O)N(CC)CC)CC1 ZINC000123164548 402114028 /nfs/dbraw/zinc/11/40/28/402114028.db2.gz LNNILJNYTOKGDZ-AWEZNQCLSA-N 0 0 310.438 2.075 10 30 DEEERN Cc1cc(C)c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[nH]1 ZINC000123549742 402133590 /nfs/dbraw/zinc/13/35/90/402133590.db2.gz RGNWZTXVJGMPNZ-KRWDZBQOSA-N 0 0 322.412 2.482 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN2CCC[C@@H](C(=O)OC)C2)c1C ZINC000103481634 402191075 /nfs/dbraw/zinc/19/10/75/402191075.db2.gz MBKRVABQXCVBMV-OAHLLOKOSA-N 0 0 318.417 2.359 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000153635874 402159406 /nfs/dbraw/zinc/15/94/06/402159406.db2.gz BKLYVQYUHRMFBL-TZMCWYRMSA-N 0 0 302.374 2.399 10 30 DEEERN COc1ccc(CCCC(=O)N[C@H](C#N)C2CC2)c(OC)c1 ZINC000153777491 402170029 /nfs/dbraw/zinc/17/00/29/402170029.db2.gz SEXWGXZHKIPXEL-OAHLLOKOSA-N 0 0 302.374 2.445 10 30 DEEERN CCN(CCC#N)C(=O)CNc1ccccc1-n1ccc(C)n1 ZINC000124397492 402177994 /nfs/dbraw/zinc/17/79/94/402177994.db2.gz UWTDEHBBZVDIKU-UHFFFAOYSA-N 0 0 311.389 2.355 10 30 DEEERN CC(=O)c1cnc(NC(=O)CNc2ccc(C#N)cc2)s1 ZINC000125247487 402221642 /nfs/dbraw/zinc/22/16/42/402221642.db2.gz DTUKZLVGOSCLCH-UHFFFAOYSA-N 0 0 300.343 2.268 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCO[C@H](c2ccsc2)C1 ZINC000125498567 402235808 /nfs/dbraw/zinc/23/58/08/402235808.db2.gz DOHFRSSZUWBNSH-ZFWWWQNUSA-N 0 0 321.446 2.130 10 30 DEEERN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1Nc1cnc(C#N)cn1 ZINC000125654010 402243615 /nfs/dbraw/zinc/24/36/15/402243615.db2.gz YMPSHMKXFCPMQU-WCQYABFASA-N 0 0 317.393 2.454 10 30 DEEERN C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CNC(=O)C1 ZINC000108240083 402248552 /nfs/dbraw/zinc/24/85/52/402248552.db2.gz CPJOXWVYPFZNCL-QWRGUYRKSA-N 0 0 303.387 2.013 10 30 DEEERN N#C[C@@H](NC(=O)c1cccc(OC[C@@H]2CCCO2)c1)C1CC1 ZINC000108829532 402262660 /nfs/dbraw/zinc/26/26/60/402262660.db2.gz OXIIORFENZSNPW-JKSUJKDBSA-N 0 0 300.358 2.276 10 30 DEEERN C=CCNC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000068766219 402205329 /nfs/dbraw/zinc/20/53/29/402205329.db2.gz KFGNHDIESZULBG-LZUXJJCOSA-N 0 0 316.445 2.496 10 30 DEEERN N#Cc1ccc(OCCNC(=O)Nc2cnc(C3CC3)nc2)cc1 ZINC000176118876 402280589 /nfs/dbraw/zinc/28/05/89/402280589.db2.gz GPVFOPYNOHRPEQ-UHFFFAOYSA-N 0 0 323.356 2.426 10 30 DEEERN C#CCCCCNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184617747 402284942 /nfs/dbraw/zinc/28/49/42/402284942.db2.gz AIIDDZOUPKHDKE-UHFFFAOYSA-N 0 0 308.345 2.064 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N(CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000185109788 402325222 /nfs/dbraw/zinc/32/52/22/402325222.db2.gz VLDIYPGWTXOMCC-UONOGXRCSA-N 0 0 301.452 2.405 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)N[C@H](C)Cn1cncn1 ZINC000158146431 402302660 /nfs/dbraw/zinc/30/26/60/402302660.db2.gz GAOSTZDZKWMCTB-GFCCVEGCSA-N 0 0 305.407 2.126 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN2CCCC[C@@]2(C)C(N)=O)c1C ZINC000185896281 402386979 /nfs/dbraw/zinc/38/69/79/402386979.db2.gz WWCNQJDHFDARHH-SFHVURJKSA-N 0 0 317.433 2.204 10 30 DEEERN CC(C)n1nnnc1CSCCOc1cccc(C#N)c1 ZINC000176899683 402348258 /nfs/dbraw/zinc/34/82/58/402348258.db2.gz SMYGTDQIZYJHFD-UHFFFAOYSA-N 0 0 303.391 2.438 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnc(SC)n1-c1ccccc1 ZINC000185901076 402387460 /nfs/dbraw/zinc/38/74/60/402387460.db2.gz KSQBQNAPBSRILP-LBPRGKRZSA-N 0 0 317.414 2.261 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CSc1nc2ccccc2n1CC ZINC000185897578 402387557 /nfs/dbraw/zinc/38/75/57/402387557.db2.gz CAVRIKTXGMDADA-LBPRGKRZSA-N 0 0 319.430 2.202 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000185513346 402358009 /nfs/dbraw/zinc/35/80/09/402358009.db2.gz NEURDPXMVSOTJI-GDBMZVCRSA-N 0 0 302.418 2.404 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(Br)cc1F ZINC000185755638 402374223 /nfs/dbraw/zinc/37/42/23/402374223.db2.gz YRWFJMXEIKRDMA-SECBINFHSA-N 0 0 302.143 2.255 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCc1cc(Br)cs1 ZINC000185814056 402379359 /nfs/dbraw/zinc/37/93/59/402379359.db2.gz WKDWEDIACKUPHU-SNVBAGLBSA-N 0 0 318.236 2.496 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC000185851560 402382584 /nfs/dbraw/zinc/38/25/84/402382584.db2.gz ZOIYXHMGRFFMKH-KRWDZBQOSA-N 0 0 313.401 2.215 10 30 DEEERN C[C@@H](NC(=O)c1cc(C#N)cn1C)c1ccc2c(c1)CCC(=O)N2 ZINC000176749157 402333312 /nfs/dbraw/zinc/33/33/12/402333312.db2.gz KIIIUNPAPMWVSH-LLVKDONJSA-N 0 0 322.368 2.272 10 30 DEEERN C#CCOc1ccccc1NC(=O)C(=O)NCCC1=CCCC1 ZINC000185237177 402337335 /nfs/dbraw/zinc/33/73/35/402337335.db2.gz KQPZVWDJGAQKIF-UHFFFAOYSA-N 0 0 312.369 2.254 10 30 DEEERN CO[C@H](C)c1cccc(NC(=O)C(=O)N2CCC(C#N)CC2)c1 ZINC000177437981 402402398 /nfs/dbraw/zinc/40/23/98/402402398.db2.gz XLKFJFYPRQLCAQ-GFCCVEGCSA-N 0 0 315.373 2.095 10 30 DEEERN C#CCCCCNC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000177461345 402405102 /nfs/dbraw/zinc/40/51/02/402405102.db2.gz YUPBKZANLKWDJX-CQSZACIVSA-N 0 0 311.389 2.431 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)OC ZINC000186211237 402410787 /nfs/dbraw/zinc/41/07/87/402410787.db2.gz QJSFVWYIYVMXPL-DZGCQCFKSA-N 0 0 319.401 2.442 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1 ZINC000186322514 402420863 /nfs/dbraw/zinc/42/08/63/402420863.db2.gz YAMMNKHEEFDUEZ-HOTGVXAUSA-N 0 0 317.433 2.200 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1cncc(-c2nncn2C)c1 ZINC000162683402 402428338 /nfs/dbraw/zinc/42/83/38/402428338.db2.gz LTBDMECODRTSBZ-UHFFFAOYSA-N 0 0 318.340 2.310 10 30 DEEERN CC#CCCCC(=O)Nc1cccnc1N1CCC(CO)CC1 ZINC000186422977 402430173 /nfs/dbraw/zinc/43/01/73/402430173.db2.gz ZIWRFZRBSVDDEC-UHFFFAOYSA-N 0 0 315.417 2.422 10 30 DEEERN C[C@H](Oc1cccc(CO)c1)C(=O)N(CCC#N)CC1CC1 ZINC000162904447 402435793 /nfs/dbraw/zinc/43/57/93/402435793.db2.gz BMBLRNLXDLBSFY-ZDUSSCGKSA-N 0 0 302.374 2.098 10 30 DEEERN N#Cc1ccc(CCC(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177800397 402437586 /nfs/dbraw/zinc/43/75/86/402437586.db2.gz ATBXDNUZKAIISX-QGZVFWFLSA-N 0 0 308.385 2.379 10 30 DEEERN C[C@H](NC(=O)c1cccc(F)c1C#N)c1nnc2n1CCCC2 ZINC000186581037 402444135 /nfs/dbraw/zinc/44/41/35/402444135.db2.gz YZQUOBUNKYQBHC-JTQLQIEISA-N 0 0 313.336 2.116 10 30 DEEERN C[C@@H]1CC[C@@H](C(=O)NCCSCc2ccccc2C#N)O1 ZINC000177941199 402445667 /nfs/dbraw/zinc/44/56/67/402445667.db2.gz MGIIHNIWYYGHDW-DOMZBBRYSA-N 0 0 304.415 2.475 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C1(c2ccc(C)cc2)CCOCC1 ZINC000185944380 402391386 /nfs/dbraw/zinc/39/13/86/402391386.db2.gz JPDDJIULNXDBME-INIZCTEOSA-N 0 0 303.402 2.096 10 30 DEEERN CN(C(=O)c1cc(N2CCCC2=O)ccc1F)C1(C#N)CCC1 ZINC000161609815 402393365 /nfs/dbraw/zinc/39/33/65/402393365.db2.gz DYGDYNHVPBQBOB-UHFFFAOYSA-N 0 0 315.348 2.471 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCc1cn(C)c2cc(C)ccc12 ZINC000187786026 402511353 /nfs/dbraw/zinc/51/13/53/402511353.db2.gz BDDIBJWNMQHCRH-OAHLLOKOSA-N 0 0 315.417 2.265 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000186656061 402452473 /nfs/dbraw/zinc/45/24/73/402452473.db2.gz UUOYDAUQLHKNHS-QMMMGPOBSA-N 0 0 310.202 2.209 10 30 DEEERN C#CCOc1ccc(C(=O)N2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000163765194 402457344 /nfs/dbraw/zinc/45/73/44/402457344.db2.gz GMISMMHEGMNDKT-KRWDZBQOSA-N 0 0 309.369 2.409 10 30 DEEERN Cc1ccc(C[C@@H](C)N(C)S(=O)(=O)CC2(C#N)CC2)cc1 ZINC000165425652 402476237 /nfs/dbraw/zinc/47/62/37/402476237.db2.gz INDHBWJGRORWFY-CQSZACIVSA-N 0 0 306.431 2.491 10 30 DEEERN CN1C[C@@H](Nc2cccc(Br)c2C#N)CCC1=O ZINC000168553783 402496528 /nfs/dbraw/zinc/49/65/28/402496528.db2.gz HTLQWYHOSVKGQW-VIFPVBQESA-N 0 0 308.179 2.353 10 30 DEEERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(c2cccc(F)c2C#N)C1 ZINC000190086553 402575233 /nfs/dbraw/zinc/57/52/33/402575233.db2.gz KRTDKRQPDGVPJD-YGRLFVJLSA-N 0 0 302.309 2.355 10 30 DEEERN Cc1nc(C[C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)no1 ZINC000171243671 402570325 /nfs/dbraw/zinc/57/03/25/402570325.db2.gz WKWPODRAHDYFNZ-AWEZNQCLSA-N 0 0 310.357 2.345 10 30 DEEERN C[C@H]1OCC[C@H]1S(=O)(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000190042354 402572929 /nfs/dbraw/zinc/57/29/29/402572929.db2.gz ZFWFNIMGBJMSGP-MLGOLLRUSA-N 0 0 320.414 2.030 10 30 DEEERN CO[C@@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)CC[C@@H]1C ZINC000189259920 402532865 /nfs/dbraw/zinc/53/28/65/402532865.db2.gz FOKTXKHFIWLMCX-IINYFYTJSA-N 0 0 305.378 2.063 10 30 DEEERN N#Cc1ccsc1NC(=O)CN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247945325 402578487 /nfs/dbraw/zinc/57/84/87/402578487.db2.gz HKJZKAXEIKUWFD-BBRMVZONSA-N 0 0 319.430 2.185 10 30 DEEERN COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000190198588 402583847 /nfs/dbraw/zinc/58/38/47/402583847.db2.gz SBWGWRYUPAKKEW-TZMCWYRMSA-N 0 0 318.373 2.337 10 30 DEEERN Cc1ccc([C@H]2CN(C(=O)c3ccc(C#N)c(C)n3)CCO2)o1 ZINC000179346312 402586423 /nfs/dbraw/zinc/58/64/23/402586423.db2.gz VSCBRNQGWDXHPL-MRXNPFEDSA-N 0 0 311.341 2.377 10 30 DEEERN COC(=O)c1ccc(OCCn2ccnc2C#N)c(Cl)c1 ZINC000179871684 402603075 /nfs/dbraw/zinc/60/30/75/402603075.db2.gz IKZUVTPAPLTESN-UHFFFAOYSA-N 0 0 305.721 2.274 10 30 DEEERN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCCOC1 ZINC000171683024 402609400 /nfs/dbraw/zinc/60/94/00/402609400.db2.gz NPIHVISLOKFZFC-CQSZACIVSA-N 0 0 318.373 2.021 10 30 DEEERN Cc1cccc(S(=O)(=O)NCc2ccc(Cl)cn2)c1C#N ZINC000180593562 402620831 /nfs/dbraw/zinc/62/08/31/402620831.db2.gz PEFOJDSJUWVATJ-UHFFFAOYSA-N 0 0 321.789 2.394 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N(C)C[C@H]2CCCO2)cc1 ZINC000171313644 402577047 /nfs/dbraw/zinc/57/70/47/402577047.db2.gz TYNDMSIPWISLHN-OAHLLOKOSA-N 0 0 317.389 2.245 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCOC1 ZINC000179169496 402577790 /nfs/dbraw/zinc/57/77/90/402577790.db2.gz VLGFIFGDJOOBJU-ZDUSSCGKSA-N 0 0 305.334 2.081 10 30 DEEERN CCc1cc(NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)n[nH]1 ZINC000190929793 402632374 /nfs/dbraw/zinc/63/23/74/402632374.db2.gz BPKXCRQQGWKFKT-UHFFFAOYSA-N 0 0 317.736 2.074 10 30 DEEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181545818 402649073 /nfs/dbraw/zinc/64/90/73/402649073.db2.gz OHLNVWWGWNQKPT-OAHLLOKOSA-N 0 0 321.384 2.407 10 30 DEEERN N#CCN(CC#N)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000181636087 402652871 /nfs/dbraw/zinc/65/28/71/402652871.db2.gz NPIBUCWUOLQFLJ-UHFFFAOYSA-N 0 0 318.185 2.172 10 30 DEEERN C[C@@H](NC(=O)C1(C#N)CCOCC1)c1cccc(-n2ccnc2)c1 ZINC000173921216 402719674 /nfs/dbraw/zinc/71/96/74/402719674.db2.gz MASFLAWUCYYUOV-CQSZACIVSA-N 0 0 324.384 2.370 10 30 DEEERN CCC(CC)CS(=O)(=O)NCCOc1ccc(C#N)cc1 ZINC000173538124 402702237 /nfs/dbraw/zinc/70/22/37/402702237.db2.gz UNLWHDZAVTWXJP-UHFFFAOYSA-N 0 0 310.419 2.293 10 30 DEEERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192495482 402732478 /nfs/dbraw/zinc/73/24/78/402732478.db2.gz DAUKPMSVCDGOLB-LLVKDONJSA-N 0 0 304.394 2.214 10 30 DEEERN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(F)cc(C#N)cc1F ZINC000192630469 402741480 /nfs/dbraw/zinc/74/14/80/402741480.db2.gz DDZFEHPTISKHIK-ZDUSSCGKSA-N 0 0 321.283 2.027 10 30 DEEERN N#Cc1ccc(OCC[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000174559891 402746886 /nfs/dbraw/zinc/74/68/86/402746886.db2.gz AQQHWMFRSGOWOV-UHFFFAOYSA-N 0 0 310.353 2.498 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)COc1c(C)cccc1C ZINC000183209558 402747443 /nfs/dbraw/zinc/74/74/43/402747443.db2.gz ICUQTIGNBLWWIR-HUUCEWRRSA-N 0 0 306.406 2.307 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000183466455 402769653 /nfs/dbraw/zinc/76/96/53/402769653.db2.gz RZSUDFCIMPMDRO-GXFFZTMASA-N 0 0 310.781 2.400 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCCc1ccccc1O ZINC000193641985 402774881 /nfs/dbraw/zinc/77/48/81/402774881.db2.gz BSHWYJQLHJLHAI-CYBMUJFWSA-N 0 0 310.353 2.390 10 30 DEEERN Cc1nccn1C[C@H]1CCCN1C(=O)c1cc(C#N)cs1 ZINC000175345673 402799122 /nfs/dbraw/zinc/79/91/22/402799122.db2.gz YCLOCZDYDYYCFN-CYBMUJFWSA-N 0 0 300.387 2.430 10 30 DEEERN CC#CCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cnn(C)c1 ZINC000184026629 402812667 /nfs/dbraw/zinc/81/26/67/402812667.db2.gz CRQCHXZRVFMPBP-OAHLLOKOSA-N 0 0 318.421 2.037 10 30 DEEERN COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCOC[C@H]1C ZINC000194856832 402818790 /nfs/dbraw/zinc/81/87/90/402818790.db2.gz MGBVSRPCCVNBKX-TZMCWYRMSA-N 0 0 318.373 2.195 10 30 DEEERN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000184309258 402835114 /nfs/dbraw/zinc/83/51/14/402835114.db2.gz AISCWNIHAURQPT-BZPMIXESSA-N 0 0 303.362 2.402 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000183627962 402783248 /nfs/dbraw/zinc/78/32/48/402783248.db2.gz LDENECKLAMMHCB-WCQYABFASA-N 0 0 312.797 2.344 10 30 DEEERN CC[C@H]1CN(c2ccccc2)CCN1C(=O)CSCC#N ZINC000183631167 402783856 /nfs/dbraw/zinc/78/38/56/402783856.db2.gz YANHQMBYCRLZLF-AWEZNQCLSA-N 0 0 303.431 2.371 10 30 DEEERN C=CCCO[C@@H](C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183650235 402785331 /nfs/dbraw/zinc/78/53/31/402785331.db2.gz NBHAKHZBMPOLEY-LBPRGKRZSA-N 0 0 311.345 2.059 10 30 DEEERN N#Cc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000183653710 402785765 /nfs/dbraw/zinc/78/57/65/402785765.db2.gz HLFRONWFEJFDLD-UHFFFAOYSA-N 0 0 314.308 2.263 10 30 DEEERN C=CCOc1cccc(NC(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000175963344 402845004 /nfs/dbraw/zinc/84/50/04/402845004.db2.gz RUFZJFORKNDCAC-CQSZACIVSA-N 0 0 313.361 2.500 10 30 DEEERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc(SCC#N)c1 ZINC000176041971 402850034 /nfs/dbraw/zinc/85/00/34/402850034.db2.gz DYZVMJHUGGMVHB-WCQYABFASA-N 0 0 317.414 2.028 10 30 DEEERN C=C(C)CS(=O)(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000280641433 403022175 /nfs/dbraw/zinc/02/21/75/403022175.db2.gz UZRXUKBXVCMJHI-SWLSCSKDSA-N 0 0 313.394 2.493 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCOc2c(CC)cccc21 ZINC000273253867 402987607 /nfs/dbraw/zinc/98/76/07/402987607.db2.gz HNUWOKFDTYGDSD-HIFRSBDPSA-N 0 0 304.390 2.309 10 30 DEEERN C=CC[C@H](CC)NC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000280966914 403054751 /nfs/dbraw/zinc/05/47/51/403054751.db2.gz KNLSMOHKTZDYHP-KBPBESRZSA-N 0 0 303.410 2.099 10 30 DEEERN C=CCN1CC[C@@H](N(C)Cc2ncc(C(F)(F)F)s2)C1=O ZINC000281111544 403058515 /nfs/dbraw/zinc/05/85/15/403058515.db2.gz BGJCAFOYJNLIEQ-SECBINFHSA-N 0 0 319.352 2.381 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)CC(C)(C)C(F)(F)F)C1=O ZINC000281428338 403068438 /nfs/dbraw/zinc/06/84/38/403068438.db2.gz QOPQFDHARJNMGL-SNVBAGLBSA-N 0 0 306.328 2.210 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)CC(=O)Nc1cccc(C)c1C ZINC000277293799 403202152 /nfs/dbraw/zinc/20/21/52/403202152.db2.gz DBMWXHWEMDAUCU-UHFFFAOYSA-N 0 0 310.397 2.363 10 30 DEEERN C=C(CSc1nc(O)cc(=O)n1C1CCCC1)C(=O)OCC ZINC000277532395 403227767 /nfs/dbraw/zinc/22/77/67/403227767.db2.gz HOMKQDAOZGSWRF-UHFFFAOYSA-N 0 0 324.402 2.275 10 30 DEEERN C=C(C)Cn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC000283228108 403181919 /nfs/dbraw/zinc/18/19/19/403181919.db2.gz JRRQHSUYTIQIEH-CQSZACIVSA-N 0 0 320.437 2.442 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cc(CN2CCOCC2)ccc1C ZINC000277837225 403262661 /nfs/dbraw/zinc/26/26/61/403262661.db2.gz XVIPMXZXURBUKB-UHFFFAOYSA-N 0 0 324.424 2.429 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H](C)N1CC=C(c2ccnn2C)CC1 ZINC000285652827 403350379 /nfs/dbraw/zinc/35/03/79/403350379.db2.gz PEWPSEPSFVFJAY-OAHLLOKOSA-N 0 0 314.433 2.098 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](CC)[C@H](O)C(F)F ZINC000298101081 403322079 /nfs/dbraw/zinc/32/20/79/403322079.db2.gz WSPVHTPEVMHXIT-ILXRZTDVSA-N 0 0 324.371 2.325 10 30 DEEERN C=C(C)[C@@H](Cc1nc(C2(COC)CCOCC2)no1)OCC ZINC000293273305 403431067 /nfs/dbraw/zinc/43/10/67/403431067.db2.gz VLLITHGRQFUHQC-CYBMUJFWSA-N 0 0 310.394 2.288 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCNC(=O)CC(C)C ZINC000285973443 403422160 /nfs/dbraw/zinc/42/21/60/403422160.db2.gz WRSHKEQPNJVAJC-KRWDZBQOSA-N 0 0 314.429 2.290 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCC3(C)C)cc2C1=O ZINC000345728211 403457991 /nfs/dbraw/zinc/45/79/91/403457991.db2.gz MODAQBOIAAZQRD-AWEZNQCLSA-N 0 0 312.369 2.387 10 30 DEEERN C#CC[C@H](Cc1ccccc1)Nc1ccc(C(=O)N(C)C)nn1 ZINC000298876631 403477818 /nfs/dbraw/zinc/47/78/18/403477818.db2.gz KOGDVJIXTKZGAV-OAHLLOKOSA-N 0 0 308.385 2.225 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](CC)N1CCCC1=O ZINC000286416752 403521088 /nfs/dbraw/zinc/52/10/88/403521088.db2.gz BBRZVPAMVHIUPQ-IAGOWNOFSA-N 0 0 312.413 2.138 10 30 DEEERN COc1ccc(Nc2nccnc2C#N)cc1N1CCCC1=O ZINC000301148683 403594744 /nfs/dbraw/zinc/59/47/44/403594744.db2.gz CBFBWRRIEKYFNB-UHFFFAOYSA-N 0 0 309.329 2.227 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](COC)Cc1ccccc1 ZINC000346175934 403577177 /nfs/dbraw/zinc/57/71/77/403577177.db2.gz DBTVCGBJUDLFEQ-IKGGRYGDSA-N 0 0 303.402 2.342 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(-n2ccc(C)n2)cc1 ZINC000347023778 403611775 /nfs/dbraw/zinc/61/17/75/403611775.db2.gz RSJATVJLFRDFSF-AWEZNQCLSA-N 0 0 300.362 2.239 10 30 DEEERN N#Cc1c(Cl)nsc1NC[C@H](CO)Cc1ccccn1 ZINC000301595380 403652420 /nfs/dbraw/zinc/65/24/20/403652420.db2.gz YXAANRALZYJZNS-SECBINFHSA-N 0 0 308.794 2.326 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1c(F)cccc1N1CCCC1 ZINC000287769609 403663046 /nfs/dbraw/zinc/66/30/46/403663046.db2.gz MUDARGFNHZJQJE-CYBMUJFWSA-N 0 0 321.396 2.162 10 30 DEEERN N#Cc1ccc(NC[C@H]2CC(=O)N(CCc3ccccc3)C2)nc1 ZINC000301591457 403651586 /nfs/dbraw/zinc/65/15/86/403651586.db2.gz YFDKRJXUXIMWCW-QGZVFWFLSA-N 0 0 320.396 2.456 10 30 DEEERN N#Cc1nc(Sc2nnc(NC3CC3)s2)ccc1[N+](=O)[O-] ZINC000302712862 403714278 /nfs/dbraw/zinc/71/42/78/403714278.db2.gz IMWQUKKGRFPWCN-UHFFFAOYSA-N 0 0 320.359 2.438 10 30 DEEERN C#CCCCCNS(=O)(=O)c1cccnc1C(F)(F)F ZINC000288081889 403721217 /nfs/dbraw/zinc/72/12/17/403721217.db2.gz JXKKMDJMURIAJN-UHFFFAOYSA-N 0 0 306.309 2.182 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)NCc1ccc(C(F)F)cc1 ZINC000288632731 403760545 /nfs/dbraw/zinc/76/05/45/403760545.db2.gz WGMCXGFWNZMDEW-UHFFFAOYSA-N 0 0 308.328 2.441 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cccc(OC)c1OC ZINC000362542420 403963733 /nfs/dbraw/zinc/96/37/33/403963733.db2.gz RFPNLPSCPJKVHB-ZFWWWQNUSA-N 0 0 305.374 2.301 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@@H]1SCCc2ccccc21 ZINC000344113334 403918725 /nfs/dbraw/zinc/91/87/25/403918725.db2.gz LZLWJGYMEQVKRE-ZFWWWQNUSA-N 0 0 306.431 2.253 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N1CCc2nn(CC)c(=O)cc2C1 ZINC000362031826 403919842 /nfs/dbraw/zinc/91/98/42/403919842.db2.gz FSLIDWHUNUDTSA-CYBMUJFWSA-N 0 0 318.421 2.076 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N[C@@H](Cc1ccccn1)C(=O)OCC ZINC000362179665 403933268 /nfs/dbraw/zinc/93/32/68/403933268.db2.gz FVPWEFRJXXNSDG-YOEHRIQHSA-N 0 0 304.390 2.274 10 30 DEEERN CC(C)(C)OCCNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000308564016 403957528 /nfs/dbraw/zinc/95/75/28/403957528.db2.gz FBXKCBFHKCMCBL-UHFFFAOYSA-N 0 0 316.810 2.305 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)C[C@H](C)CC(=O)OC ZINC000289514923 403982603 /nfs/dbraw/zinc/98/26/03/403982603.db2.gz CQGZTXWLGQIZFZ-GOEBONIOSA-N 0 0 301.386 2.327 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](CCOC)c1ccc(C)o1 ZINC000289564065 403987020 /nfs/dbraw/zinc/98/70/20/403987020.db2.gz SAYUDIFKQJDAFT-CQSZACIVSA-N 0 0 322.405 2.206 10 30 DEEERN C=CCOC[C@H]1NC(=O)N([C@@H](C)c2c(F)cccc2OC)C1=O ZINC000348575995 404080539 /nfs/dbraw/zinc/08/05/39/404080539.db2.gz SAXICNXFOWHLGS-CMPLNLGQSA-N 0 0 322.336 2.018 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@H]2c3ccccc3C[C@H]2C)C1=O ZINC000348612224 404084487 /nfs/dbraw/zinc/08/44/87/404084487.db2.gz PFTXLLZXKHYJIY-BYCMXARLSA-N 0 0 300.358 2.043 10 30 DEEERN C=CCCCNC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000344453264 404149395 /nfs/dbraw/zinc/14/93/95/404149395.db2.gz YZDXOBSXQDFFTM-LBPRGKRZSA-N 0 0 308.328 2.400 10 30 DEEERN C=CCCCC(=O)N1CCCN(C(=O)c2ccccn2)CC1 ZINC000363308927 404146813 /nfs/dbraw/zinc/14/68/13/404146813.db2.gz LFOAEVGNPSBYKW-UHFFFAOYSA-N 0 0 301.390 2.112 10 30 DEEERN CC[C@]1(C)CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)CCO1 ZINC000328869826 404165048 /nfs/dbraw/zinc/16/50/48/404165048.db2.gz HSHBBHKQSPHPBT-IVMMDQJWSA-N 0 0 309.410 2.299 10 30 DEEERN C[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1)N1CCSCC1 ZINC000328917275 404174648 /nfs/dbraw/zinc/17/46/48/404174648.db2.gz RRUNSPFKPLIVRL-QKCSRTOESA-N 0 0 311.451 2.278 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(OCC(F)F)cc1 ZINC000349748039 404183519 /nfs/dbraw/zinc/18/35/19/404183519.db2.gz SCENLZBYBVTOSF-LLVKDONJSA-N 0 0 300.305 2.389 10 30 DEEERN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NCC1(CCO)CC1 ZINC000329020571 404203003 /nfs/dbraw/zinc/20/30/03/404203003.db2.gz HSUSJGRNYSSRJI-TZMCWYRMSA-N 0 0 307.394 2.007 10 30 DEEERN C=C(Cl)CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000363840151 404224871 /nfs/dbraw/zinc/22/48/71/404224871.db2.gz YPGRPFFONCYVBO-MCIONIFRSA-N 0 0 320.824 2.483 10 30 DEEERN O=C(N[C@H]1COC[C@H]1n1ccnn1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000329129856 404240031 /nfs/dbraw/zinc/24/00/31/404240031.db2.gz OBETXSSWZUACBX-LJISPDSOSA-N 0 0 304.394 2.391 10 30 DEEERN Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CCC[C@@H]1C1CCC1 ZINC000329240277 404276545 /nfs/dbraw/zinc/27/65/45/404276545.db2.gz QWCDPMQSVOPHJH-ZNMIVQPWSA-N 0 0 318.421 2.429 10 30 DEEERN [O-]C(=[NH+]C[C@@H]1CCOc2ccccc21)N1CCc2cncnc2C1 ZINC000329269758 404286387 /nfs/dbraw/zinc/28/63/87/404286387.db2.gz GZNBRKCHIZPSRG-ZDUSSCGKSA-N 0 0 324.384 2.315 10 30 DEEERN C=CCCCNC(=O)C(=O)NCCc1ccc(OC)cc1Cl ZINC000352406066 404347379 /nfs/dbraw/zinc/34/73/79/404347379.db2.gz PRNDAEPGNKPJJE-UHFFFAOYSA-N 0 0 324.808 2.090 10 30 DEEERN COc1nnccc1NC(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000329306634 404296903 /nfs/dbraw/zinc/29/69/03/404296903.db2.gz BFGUOMFDNUGZRJ-AWEZNQCLSA-N 0 0 320.393 2.312 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCNC(=O)[C@H]1c1ccccc1F ZINC000364053451 404300847 /nfs/dbraw/zinc/30/08/47/404300847.db2.gz CQCXEULNZJGZFJ-IUODEOHRSA-N 0 0 304.365 2.428 10 30 DEEERN C#Cc1ccc(CNC(=O)NCC2([C@@H](O)C(C)C)CC2)cc1 ZINC000296561968 404308426 /nfs/dbraw/zinc/30/84/26/404308426.db2.gz CSAKAAFLECPLNH-INIZCTEOSA-N 0 0 300.402 2.264 10 30 DEEERN CCC[C@@H]1[C@H](C)CCCN1C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329535235 404367539 /nfs/dbraw/zinc/36/75/39/404367539.db2.gz ZDJJLUCYHSQOGG-LXTVHRRPSA-N 0 0 321.425 2.033 10 30 DEEERN CC(C)c1scnc1NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000329546305 404371710 /nfs/dbraw/zinc/37/17/10/404371710.db2.gz ICDQHIGKPGGWKE-RYUDHWBXSA-N 0 0 324.450 2.217 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000356088945 404389674 /nfs/dbraw/zinc/38/96/74/404389674.db2.gz WEERIHZVVMTSBH-GJZGRUSLSA-N 0 0 307.438 2.385 10 30 DEEERN C=CCOc1cccnc1C(=O)N[C@@H](CO)c1ccsc1 ZINC000356228410 404406776 /nfs/dbraw/zinc/40/67/76/404406776.db2.gz JRLLRWSSGBKGIW-LBPRGKRZSA-N 0 0 304.371 2.171 10 30 DEEERN N#CCOc1ccc(/C=C/C(=O)N2CCO[C@H](C3CC3)C2)cc1 ZINC000364489369 404417979 /nfs/dbraw/zinc/41/79/79/404417979.db2.gz XIGLRLMVICVTNG-HJYWZVSTSA-N 0 0 312.369 2.240 10 30 DEEERN O=C(C[C@H]1CCCCO1)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000329988966 404518238 /nfs/dbraw/zinc/51/82/38/404518238.db2.gz USJJJHHAUOBRFB-MELADBBJSA-N 0 0 322.384 2.309 10 30 DEEERN Cc1nc(CNC(=O)N2CCc3cncnc3C2)sc1C ZINC000329806569 404458011 /nfs/dbraw/zinc/45/80/11/404458011.db2.gz NZTUDTHZZURCRH-UHFFFAOYSA-N 0 0 303.391 2.022 10 30 DEEERN C[C@@H]1CN(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)C[C@@H](c2ccc(F)cc2)O1 ZINC000330024639 404530893 /nfs/dbraw/zinc/53/08/93/404530893.db2.gz JWFQRHKHVKSPCU-DMHMKPBJSA-N 0 0 320.364 2.146 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](C)c1cncnc1 ZINC000342392102 404550964 /nfs/dbraw/zinc/55/09/64/404550964.db2.gz IKLBTGNWRMPMDD-CYBMUJFWSA-N 0 0 315.373 2.270 10 30 DEEERN C=CCNC(=O)c1ccc(N2CC[C@]3(C)[C@H](C2)C3(F)F)nc1 ZINC000291853083 404551523 /nfs/dbraw/zinc/55/15/23/404551523.db2.gz HLMDKLPGUQQQII-SWLSCSKDSA-N 0 0 307.344 2.479 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000330130561 404560237 /nfs/dbraw/zinc/56/02/37/404560237.db2.gz KLAOMXUXOXPRGF-RIQILIMLSA-N 0 0 319.405 2.412 10 30 DEEERN Cn1nccc1N1CCC[C@H](NC(=O)C[C@H]2C=CCC2)C1=O ZINC000330164493 404570398 /nfs/dbraw/zinc/57/03/98/404570398.db2.gz TYWKNMICPUKFNM-STQMWFEESA-N 0 0 302.378 2.228 10 30 DEEERN C[C@H](Cn1cncn1)NC(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000330162352 404571530 /nfs/dbraw/zinc/57/15/30/404571530.db2.gz AFWCUCRSQDBBRT-HIFRSBDPSA-N 0 0 321.425 2.004 10 30 DEEERN Cn1c(CNC(=O)N2CCO[C@H](C3CC3)C2)nc2ccccc21 ZINC000330172420 404573386 /nfs/dbraw/zinc/57/33/86/404573386.db2.gz GKIDNFLTBLHWKJ-HNNXBMFYSA-N 0 0 314.389 2.098 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCCOC1 ZINC000352827093 404650865 /nfs/dbraw/zinc/65/08/65/404650865.db2.gz LZZVYOLXNQSCCP-CYBMUJFWSA-N 0 0 308.378 2.039 10 30 DEEERN C#Cc1ccc(CNC(=O)N(C)C[C@H]2CCCC[C@@H]2O)cc1 ZINC000297712654 404599462 /nfs/dbraw/zinc/59/94/62/404599462.db2.gz RYVJWQVOLSYPLD-SJORKVTESA-N 0 0 300.402 2.360 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N(C[C@H]1CCC(=O)N1)C(C)C ZINC000414535101 404668946 /nfs/dbraw/zinc/66/89/46/404668946.db2.gz HKKOQCANKNQXOV-CQSZACIVSA-N 0 0 319.453 2.471 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)NCc1csc(CC)n1 ZINC000345310488 404669817 /nfs/dbraw/zinc/66/98/17/404669817.db2.gz OOMSFWHHJLCICQ-LLVKDONJSA-N 0 0 309.435 2.183 10 30 DEEERN C=CCSCCNC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000357362098 404732805 /nfs/dbraw/zinc/73/28/05/404732805.db2.gz RSJGUCMNXRQPKP-CYBMUJFWSA-N 0 0 322.430 2.435 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000375721172 404733789 /nfs/dbraw/zinc/73/37/89/404733789.db2.gz USLQIZGRGBOYSC-OXGONZEZSA-N 0 0 305.418 2.432 10 30 DEEERN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCc1cn[nH]c1 ZINC000358193612 404756161 /nfs/dbraw/zinc/75/61/61/404756161.db2.gz KBGMAUUPBMOPHI-DLBZAZTESA-N 0 0 323.400 2.434 10 30 DEEERN CC1(C#N)CCN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)CC1 ZINC000356966457 404722528 /nfs/dbraw/zinc/72/25/28/404722528.db2.gz DFECNJMSLGEFDI-GFCCVEGCSA-N 0 0 317.355 2.413 10 30 DEEERN C=CCCC(=O)NCc1cccc(C(=O)Nc2ccncc2)c1 ZINC000359215662 404787406 /nfs/dbraw/zinc/78/74/06/404787406.db2.gz FPGBDTQHECLMFW-UHFFFAOYSA-N 0 0 309.369 2.338 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCN(c2ncc(CC)s2)CC1 ZINC000359625121 404799169 /nfs/dbraw/zinc/79/91/69/404799169.db2.gz PFXRLLNXEAOXNG-ZDUSSCGKSA-N 0 0 323.462 2.335 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N[C@@](C)(CO)C(C)C ZINC000358716430 404773328 /nfs/dbraw/zinc/77/33/28/404773328.db2.gz AYMWASZTWMOTKB-KRWDZBQOSA-N 0 0 306.406 2.458 10 30 DEEERN CC#CCCCC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000366956146 404879816 /nfs/dbraw/zinc/87/98/16/404879816.db2.gz SSYYDSUDMGXKPQ-DOTOQJQBSA-N 0 0 312.413 2.486 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C(=O)NC)C(C)C ZINC000416704809 404885605 /nfs/dbraw/zinc/88/56/05/404885605.db2.gz SVXIVBJKGJUJNE-HOTGVXAUSA-N 0 0 317.433 2.244 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CCCC[C@@H]1c1ccnn1C ZINC000366865388 404860806 /nfs/dbraw/zinc/86/08/06/404860806.db2.gz CGIRMDQGYAEJRP-MRXNPFEDSA-N 0 0 304.438 2.372 10 30 DEEERN C=C(C)COc1cccc(NC(=O)N2CCO[C@H]([C@H](C)O)C2)c1 ZINC000416794910 404913486 /nfs/dbraw/zinc/91/34/86/404913486.db2.gz RFWPNFRBOVBSFY-BBRMVZONSA-N 0 0 320.389 2.255 10 30 DEEERN C#CCCNC(=O)[C@H]1CCCCN1C(=O)c1cc(C)cc(C)c1 ZINC000367364365 405025602 /nfs/dbraw/zinc/02/56/02/405025602.db2.gz CWFJFCNTEUIUFW-QGZVFWFLSA-N 0 0 312.413 2.438 10 30 DEEERN CC(=O)CCc1ccc(OCC(=O)Nc2cc(C#N)ccn2)cc1 ZINC000435989164 405034913 /nfs/dbraw/zinc/03/49/13/405034913.db2.gz BSQYKGGRCUZKAD-UHFFFAOYSA-N 0 0 323.352 2.492 10 30 DEEERN N#Cc1ccccc1CN1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408036559 405095271 /nfs/dbraw/zinc/09/52/71/405095271.db2.gz UUSJIMOGQQFSSA-KZNAEPCWSA-N 0 0 300.402 2.310 10 30 DEEERN C=CCC1(NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CCCCC1 ZINC000451940342 405102274 /nfs/dbraw/zinc/10/22/74/405102274.db2.gz LFRKWUBDGXGCCU-OKILXGFUSA-N 0 0 316.467 2.209 10 30 DEEERN C=CCC1(C(=O)N[C@H](C)COCC(F)(F)F)CCOCC1 ZINC000424615194 405128876 /nfs/dbraw/zinc/12/88/76/405128876.db2.gz KASFANZXOYLMNL-LLVKDONJSA-N 0 0 309.328 2.443 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)[C@H](C)N(Cc2ccccc2)C1=O ZINC000424614605 405129234 /nfs/dbraw/zinc/12/92/34/405129234.db2.gz CTWFVYCNIXYQSA-BPUTZDHNSA-N 0 0 314.385 2.430 10 30 DEEERN N#Cc1cc(F)c(N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c(F)c1 ZINC000408171532 405130819 /nfs/dbraw/zinc/13/08/19/405130819.db2.gz KNOCRSVCZSARHM-DFBGVHRSSA-N 0 0 308.328 2.203 10 30 DEEERN C=CCC1(C(=O)N[C@@H](C)[C@H](O)Cc2ccccc2)CCOCC1 ZINC000424733026 405162091 /nfs/dbraw/zinc/16/20/91/405162091.db2.gz HXMCQAJLPCGTGM-DOTOQJQBSA-N 0 0 317.429 2.468 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)CCOCC1 ZINC000424737052 405164620 /nfs/dbraw/zinc/16/46/20/405164620.db2.gz NPISEHJQKUYGSJ-VXGBXAGGSA-N 0 0 321.339 2.274 10 30 DEEERN C=CCC1(C(=O)N[C@@H](CO)Cc2cccc(C)c2)CCOCC1 ZINC000424798449 405181744 /nfs/dbraw/zinc/18/17/44/405181744.db2.gz TYSBRZSNEBOVKL-QGZVFWFLSA-N 0 0 317.429 2.388 10 30 DEEERN C=CCCn1cc(C(=O)N2CC[C@H](CC(F)(F)F)C2)nn1 ZINC000424810903 405185967 /nfs/dbraw/zinc/18/59/67/405185967.db2.gz OFTXDOILDZZVJX-SNVBAGLBSA-N 0 0 302.300 2.269 10 30 DEEERN C=CCn1cc(CNC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)nn1 ZINC000424909035 405211086 /nfs/dbraw/zinc/21/10/86/405211086.db2.gz RQZRPBLPSBBIGC-UWVGGRQHSA-N 0 0 302.300 2.059 10 30 DEEERN C[C@@H]1N(S(=O)(=O)CC(C)(C)CC#N)CCC12CCOCC2 ZINC000408459327 405211989 /nfs/dbraw/zinc/21/19/89/405211989.db2.gz IDURUXXJELLBBX-ZDUSSCGKSA-N 0 0 314.451 2.147 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000424914720 405212131 /nfs/dbraw/zinc/21/21/31/405212131.db2.gz NNVXEXXLDNVWAM-AAEUAGOBSA-N 0 0 321.373 2.033 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCC(=O)NCCc1ccccc1OC ZINC000437746918 405218146 /nfs/dbraw/zinc/21/81/46/405218146.db2.gz JHWYYUBOWUYKEM-CQSZACIVSA-N 0 0 318.417 2.072 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C)Oc1cccc(F)c1 ZINC000425439055 405290831 /nfs/dbraw/zinc/29/08/31/405290831.db2.gz BBLMSGRRKDNFED-XEZPLFJOSA-N 0 0 322.380 2.483 10 30 DEEERN N#Cc1ncccc1N[C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000368179827 405231089 /nfs/dbraw/zinc/23/10/89/405231089.db2.gz XNMLBFLVUZENDF-OAHLLOKOSA-N 0 0 306.369 2.209 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CCCO)c1ccccc1 ZINC000425682223 405312882 /nfs/dbraw/zinc/31/28/82/405312882.db2.gz JYNQYTKMYDPXJM-ULQDDVLXSA-N 0 0 318.417 2.391 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCCC(C)(C)C ZINC000425888635 405326739 /nfs/dbraw/zinc/32/67/39/405326739.db2.gz TZCXDHJPKBXZEV-KBPBESRZSA-N 0 0 310.438 2.026 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)Nc1ccc(-c2ncon2)cc1 ZINC000454342892 405332744 /nfs/dbraw/zinc/33/27/44/405332744.db2.gz ROCGYDYHPQCSMG-ZDUSSCGKSA-N 0 0 302.334 2.185 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1c(CC)noc1CC ZINC000425461517 405294588 /nfs/dbraw/zinc/29/45/88/405294588.db2.gz BVKUFRPFISSHTH-FZMZJTMJSA-N 0 0 307.394 2.190 10 30 DEEERN C=CCOc1ccc(CNC(=O)N2C[C@@H](O)CC[C@H]2C)cc1 ZINC000420873995 405398430 /nfs/dbraw/zinc/39/84/30/405398430.db2.gz YFKVXKZFOFPKQF-HIFRSBDPSA-N 0 0 304.390 2.306 10 30 DEEERN C=CCOc1cccc(N2C(=O)N[C@@H](Cc3ccccn3)C2=O)c1 ZINC000445990429 405365633 /nfs/dbraw/zinc/36/56/33/405365633.db2.gz GQQVYDBXQRNMGH-INIZCTEOSA-N 0 0 323.352 2.314 10 30 DEEERN C[C@H](COc1cccc(F)c1)NC(=O)c1ccc(C#N)n1C ZINC000448769795 405446445 /nfs/dbraw/zinc/44/64/45/405446445.db2.gz WBKLMSRPMOBQPK-LLVKDONJSA-N 0 0 301.321 2.233 10 30 DEEERN C=CCC(C)(C)CNC(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000633262121 405535353 /nfs/dbraw/zinc/53/53/53/405535353.db2.gz KPDFPXMJKZEFIG-WDEREUQCSA-N 0 0 308.344 2.401 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000633283585 405548195 /nfs/dbraw/zinc/54/81/95/405548195.db2.gz OWOXCWIUKKDDLE-FXUDXRNXSA-N 0 0 308.422 2.367 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCC[C@H](NC(=O)N(C)C)C1 ZINC000633410515 405628539 /nfs/dbraw/zinc/62/85/39/405628539.db2.gz PNIUZLRHPOWTAQ-AWEZNQCLSA-N 0 0 324.469 2.424 10 30 DEEERN C=C(CC)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000456814046 405578372 /nfs/dbraw/zinc/57/83/72/405578372.db2.gz SOYLMDDBLUAZBG-AWEZNQCLSA-N 0 0 302.374 2.079 10 30 DEEERN N#Cc1cccc(CN2CCCc3c(OCC(N)=O)cccc32)c1 ZINC000449535865 405603983 /nfs/dbraw/zinc/60/39/83/405603983.db2.gz OIAUJFVEHWCEIB-UHFFFAOYSA-N 0 0 321.380 2.375 10 30 DEEERN C=CCC[C@H](NCc1ccc(-n2cncn2)cc1)C(=O)OCC ZINC000449660717 405668631 /nfs/dbraw/zinc/66/86/31/405668631.db2.gz YJXRSQGXXFHOEK-INIZCTEOSA-N 0 0 314.389 2.255 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@@H](C(C)C)C1 ZINC000558674679 405687257 /nfs/dbraw/zinc/68/72/57/405687257.db2.gz FUVVSPQPWDXOSJ-KGLIPLIRSA-N 0 0 306.410 2.034 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1COCC1(C)C ZINC000459061545 405721985 /nfs/dbraw/zinc/72/19/85/405721985.db2.gz GBHJXGPSKWGFPC-OAHLLOKOSA-N 0 0 322.405 2.285 10 30 DEEERN C=CCCn1cc(C(=O)NCC[C@@H]2CNc3ccccc32)nn1 ZINC000638870592 405730335 /nfs/dbraw/zinc/73/03/35/405730335.db2.gz PDLGDBLEWDWZST-CYBMUJFWSA-N 0 0 311.389 2.183 10 30 DEEERN C=CC(C)(C)C(=O)NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000450080999 405732032 /nfs/dbraw/zinc/73/20/32/405732032.db2.gz ILSMBQKTJLPYJU-UHFFFAOYSA-N 0 0 300.362 2.104 10 30 DEEERN C=CCCOCC(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633749930 405819049 /nfs/dbraw/zinc/81/90/49/405819049.db2.gz YRTCBLZJXYPUOM-ZDUSSCGKSA-N 0 0 317.307 2.448 10 30 DEEERN C=CCCCCCNC(=O)CNc1ccc(S(C)(=O)=O)cc1 ZINC000636140556 405769656 /nfs/dbraw/zinc/76/96/56/405769656.db2.gz YGANMOBAAUPHDJ-UHFFFAOYSA-N 0 0 324.446 2.365 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@H]2CCOC[C@H]2C)cc1OC ZINC000432459908 405770189 /nfs/dbraw/zinc/77/01/89/405770189.db2.gz AZFSDRIFCZJVPP-OCCSQVGLSA-N 0 0 305.374 2.415 10 30 DEEERN C=CCOCCCC(=O)NCc1cc(=O)[nH]c(C2CCC2)n1 ZINC000636318969 405887227 /nfs/dbraw/zinc/88/72/27/405887227.db2.gz HISFSCPOPIRHDD-UHFFFAOYSA-N 0 0 305.378 2.049 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@]1(O)CCCC(C)(C)CC1 ZINC000633890498 405892177 /nfs/dbraw/zinc/89/21/77/405892177.db2.gz XPYDGRQATKNIIB-QAPCUYQASA-N 0 0 324.465 2.295 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N[C@H]1Cc2ccccc2N(C)C1 ZINC000636263662 405848544 /nfs/dbraw/zinc/84/85/44/405848544.db2.gz GQWUDYORWNHYLW-MAUKXSAKSA-N 0 0 302.418 2.393 10 30 DEEERN C=CCC(CC=C)C(=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000633805091 405850398 /nfs/dbraw/zinc/85/03/98/405850398.db2.gz HMNVPNNQWLUXAB-IAGOWNOFSA-N 0 0 301.386 2.406 10 30 DEEERN CCC1(CC)[C@H](NC(=O)c2ccc(C#N)n2C)[C@H](C)[C@H]1OC ZINC000450373917 405864883 /nfs/dbraw/zinc/86/48/83/405864883.db2.gz DJNXBEMMPFZROM-NILFDRSVSA-N 0 0 303.406 2.466 10 30 DEEERN C=CCCC(C)(C)CNC(=O)[C@@H]1COCCN1CC(F)F ZINC000633964917 405933562 /nfs/dbraw/zinc/93/35/62/405933562.db2.gz GSDUKLVHTXOIEZ-LBPRGKRZSA-N 0 0 304.381 2.061 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)OC ZINC000450510448 405936183 /nfs/dbraw/zinc/93/61/83/405936183.db2.gz GVXBIPIAUXJCLS-IMJJTQAJSA-N 0 0 317.385 2.168 10 30 DEEERN C=CCCOCCCCC(=O)N(C)[C@H]1CCCCN(C)C1=O ZINC000634143315 406019551 /nfs/dbraw/zinc/01/95/51/406019551.db2.gz HZXAGGONXYGDAD-HNNXBMFYSA-N 0 0 310.438 2.219 10 30 DEEERN C=CCC1(c2nc(-c3cnc(OC)cn3)no2)CCOCC1 ZINC000632157373 406026198 /nfs/dbraw/zinc/02/61/98/406026198.db2.gz OLBMFDLEMLVKMR-UHFFFAOYSA-N 0 0 302.334 2.160 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)c1ccccn1 ZINC000636459307 405969735 /nfs/dbraw/zinc/96/97/35/405969735.db2.gz FFNDWTJYPKQSRR-ZDUSSCGKSA-N 0 0 303.406 2.367 10 30 DEEERN C=C1CC(C)(C(=O)N(C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000632088878 405996454 /nfs/dbraw/zinc/99/64/54/405996454.db2.gz MGSMRIAOGNFODE-UHFFFAOYSA-N 0 0 312.369 2.097 10 30 DEEERN Cn1c(=O)ccc2ccc(NC(=O)NCC3(CC#N)CC3)cc21 ZINC000562415719 406004274 /nfs/dbraw/zinc/00/42/74/406004274.db2.gz IJTTTWKRNQCIOB-UHFFFAOYSA-N 0 0 310.357 2.354 10 30 DEEERN C=CCn1c(N(C)C[C@@H]2CCCO2)nnc1[C@@]1(C)CCCO1 ZINC000562569319 406036667 /nfs/dbraw/zinc/03/66/67/406036667.db2.gz TZGZBECQKCYIGH-XJKSGUPXSA-N 0 0 306.410 2.105 10 30 DEEERN C=CCn1cc(CNC(=O)NCC2(C)CCC(C)CC2)nn1 ZINC000516763845 406103928 /nfs/dbraw/zinc/10/39/28/406103928.db2.gz AQVYBLRMTHLDPY-UHFFFAOYSA-N 0 0 305.426 2.480 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@](C)(CO)Cc1ccc(F)cc1 ZINC000634294113 406086631 /nfs/dbraw/zinc/08/66/31/406086631.db2.gz TWUCQESHABKHAW-DYVFJYSZSA-N 0 0 309.381 2.217 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cn1c(CC)nc2ccccc21 ZINC000566557337 406089605 /nfs/dbraw/zinc/08/96/05/406089605.db2.gz WTUHUCGEJHVPIR-BBRMVZONSA-N 0 0 313.401 2.306 10 30 DEEERN C=CCn1c(-c2scnc2C)nnc1N(C)C[C@H](C)C#N ZINC000566914795 406092408 /nfs/dbraw/zinc/09/24/08/406092408.db2.gz ZFRDRNDPXDABQB-SNVBAGLBSA-N 0 0 302.407 2.492 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC000636831421 406093122 /nfs/dbraw/zinc/09/31/22/406093122.db2.gz MDVZSKIYEJUWCU-OAHLLOKOSA-N 0 0 301.390 2.121 10 30 DEEERN CC(=O)N(C)c1ccccc1NS(=O)(=O)CCC(C)(C)C#N ZINC000563225744 406059458 /nfs/dbraw/zinc/05/94/58/406059458.db2.gz REOWUJLAQBLICU-UHFFFAOYSA-N 0 0 323.418 2.351 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1C[C@@H](C)OC2(CCC2)C1 ZINC000563416390 406059681 /nfs/dbraw/zinc/05/96/81/406059681.db2.gz IVYDEHAMHMGNDZ-CQSZACIVSA-N 0 0 308.422 2.019 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000565184517 406070728 /nfs/dbraw/zinc/07/07/28/406070728.db2.gz BUPIYYOLXQJFDE-UHFFFAOYSA-N 0 0 318.373 2.259 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnn(C)c1-c1ccccc1 ZINC000515638164 406074728 /nfs/dbraw/zinc/07/47/28/406074728.db2.gz UVKDJOQHGSLILD-HOCLYGCPSA-N 0 0 311.385 2.408 10 30 DEEERN CC#CCCNC(=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000637058903 406164566 /nfs/dbraw/zinc/16/45/66/406164566.db2.gz RRKKXMFXKKPBKG-UHFFFAOYSA-N 0 0 324.428 2.409 10 30 DEEERN C=CCn1c(COCCOC)nnc1N(C)Cc1ccc(C)o1 ZINC000634340253 406105895 /nfs/dbraw/zinc/10/58/95/406105895.db2.gz HKKZQHJKMARMCA-UHFFFAOYSA-N 0 0 320.393 2.165 10 30 DEEERN C=C(C)Cn1c(Cc2cc(C)[nH]n2)nnc1N1CC2CC1(C)C2 ZINC000634389280 406122148 /nfs/dbraw/zinc/12/21/48/406122148.db2.gz LFRQUUKOCXSSPU-UHFFFAOYSA-N 0 0 312.421 2.465 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C)[C@@](C)(OC)C1CC1 ZINC000636962023 406134179 /nfs/dbraw/zinc/13/41/79/406134179.db2.gz CAIVTMDXYRIVNI-YVEFUNNKSA-N 0 0 310.438 2.025 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)C[C@H]1CCCC(F)(F)C1 ZINC000632481784 406155808 /nfs/dbraw/zinc/15/58/08/406155808.db2.gz HAJDWMOTUXCAGW-AVGNSLFASA-N 0 0 323.405 2.322 10 30 DEEERN C=CCOc1cccc(NC(=O)N2C[C@@H](OC)C[C@]2(C)CO)c1 ZINC000639586584 406157648 /nfs/dbraw/zinc/15/76/48/406157648.db2.gz IHLWHMXYOOOBIQ-DOTOQJQBSA-N 0 0 320.389 2.255 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCCC[C@@H]1C[C@@H](C)O ZINC000632541161 406176602 /nfs/dbraw/zinc/17/66/02/406176602.db2.gz KAUIPWZGFZWZCC-HUUCEWRRSA-N 0 0 324.465 2.247 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)N[C@H](c2ccc(C)c(C)c2)C1=O ZINC000568254528 406216775 /nfs/dbraw/zinc/21/67/75/406216775.db2.gz BRPPMZUALYKQLT-HRCADAONSA-N 0 0 314.385 2.487 10 30 DEEERN C=CCCC1(CNC(=O)NCc2nc(N(C)C)n[nH]2)CCCC1 ZINC000637262502 406233224 /nfs/dbraw/zinc/23/32/24/406233224.db2.gz FWGKYSGCLBYNLO-UHFFFAOYSA-N 0 0 320.441 2.197 10 30 DEEERN C=C1CC(C)(C(=O)NCc2ncn(Cc3cccc(F)c3)n2)C1 ZINC000632678802 406225038 /nfs/dbraw/zinc/22/50/38/406225038.db2.gz QJUYPRNTMYNGJT-UHFFFAOYSA-N 0 0 314.364 2.438 10 30 DEEERN C=CCn1cc(CNC(=O)c2coc(C3CCCCC3)n2)nn1 ZINC000519701561 406238272 /nfs/dbraw/zinc/23/82/72/406238272.db2.gz VDBFNDCCXVTZJR-UHFFFAOYSA-N 0 0 315.377 2.430 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000637284492 406243609 /nfs/dbraw/zinc/24/36/09/406243609.db2.gz HTHWSLCHINIEAF-KGLIPLIRSA-N 0 0 307.438 2.241 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000637322139 406257815 /nfs/dbraw/zinc/25/78/15/406257815.db2.gz QBUFJKBFIPDXAW-ZDUSSCGKSA-N 0 0 322.430 2.417 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000637479087 406323541 /nfs/dbraw/zinc/32/35/41/406323541.db2.gz PXJPYWHMVFQVCQ-SQWYCQTGSA-N 0 0 320.820 2.462 10 30 DEEERN C=CCCC(C)(C)NC(=O)N[C@H]1CCO[C@H]1c1nc(C)no1 ZINC000637551297 406344544 /nfs/dbraw/zinc/34/45/44/406344544.db2.gz MCSBKRLXYVMVBC-NWDGAFQWSA-N 0 0 308.382 2.252 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000488841939 406354282 /nfs/dbraw/zinc/35/42/82/406354282.db2.gz JPNYQQJFHQTJKZ-ZDUSSCGKSA-N 0 0 311.385 2.043 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)NCc1ccsc1C(F)(F)F ZINC000637591548 406357785 /nfs/dbraw/zinc/35/77/85/406357785.db2.gz CYUIXEKYRIZLIO-JTQLQIEISA-N 0 0 320.336 2.340 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(C#N)cc1OC ZINC000570693695 406427359 /nfs/dbraw/zinc/42/73/59/406427359.db2.gz GGIMXYNWSAAKMY-UHFFFAOYSA-N 0 0 315.373 2.368 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCOC[C@H]1c1ccnn1C ZINC000637621691 406368008 /nfs/dbraw/zinc/36/80/08/406368008.db2.gz RNSMKRHBKWPSGC-HNNXBMFYSA-N 0 0 320.437 2.495 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NC[C@@H](CO)c1cccnc1 ZINC000637620667 406368414 /nfs/dbraw/zinc/36/84/14/406368414.db2.gz GLOLTEMBNHDVEH-HNNXBMFYSA-N 0 0 305.422 2.449 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)NCCOC(C)(C)C)c1 ZINC000521964261 406377338 /nfs/dbraw/zinc/37/73/38/406377338.db2.gz KNCNVVDZPVPJTM-UHFFFAOYSA-N 0 0 320.389 2.121 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cnccc1OC ZINC000635260445 406479169 /nfs/dbraw/zinc/47/91/69/406479169.db2.gz JWMYHRULQYNORA-UHFFFAOYSA-N 0 0 305.378 2.137 10 30 DEEERN C[C@H](CNC(=O)c1ccc(C#N)c(Cl)c1)N1CCCCC1=O ZINC000526015143 406534157 /nfs/dbraw/zinc/53/41/57/406534157.db2.gz IQPHOURQVAUBHL-LLVKDONJSA-N 0 0 319.792 2.342 10 30 DEEERN CCC[C@@H](C#N)NS(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000571585844 406539485 /nfs/dbraw/zinc/53/94/85/406539485.db2.gz BIYMJYJNGFWKBA-LBPRGKRZSA-N 0 0 305.403 2.457 10 30 DEEERN CC(C)[C@H](CO)CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000553748931 406772894 /nfs/dbraw/zinc/77/28/94/406772894.db2.gz DWEFUUFNRIIEJC-RDJZCZTQSA-N 0 0 318.417 2.342 10 30 DEEERN CCOc1cc(I)c(N)cc1CC#N ZINC000575717553 406823433 /nfs/dbraw/zinc/82/34/33/406823433.db2.gz IISRIJIULLVWGQ-UHFFFAOYSA-N 0 0 302.115 2.338 10 30 DEEERN C=CCn1c(-c2scnc2C)nnc1N1CCO[C@@H](CF)C1 ZINC000576345901 406830291 /nfs/dbraw/zinc/83/02/91/406830291.db2.gz UYRKFDIFSWRQHY-NSHDSACASA-N 0 0 323.397 2.071 10 30 DEEERN CN(C(=O)c1cc(Cl)nc(NN)c1)c1ccccc1C#N ZINC000129052675 196014952 /nfs/dbraw/zinc/01/49/52/196014952.db2.gz WQXYKDMLPOTPOQ-UHFFFAOYSA-N 0 0 301.737 2.169 10 30 DEEERN C=CCN(CC=C)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000129851788 196080961 /nfs/dbraw/zinc/08/09/61/196080961.db2.gz VMDRFBXNWAFVMR-UHFFFAOYSA-N 0 0 300.311 2.097 10 30 DEEERN COC(=O)N[C@@H]1CCN(c2ccc(Br)cc2C#N)C1 ZINC000131265390 196155060 /nfs/dbraw/zinc/15/50/60/196155060.db2.gz IDDXRVYIPQWZNV-LLVKDONJSA-N 0 0 324.178 2.255 10 30 DEEERN Cc1cc(C#CCO)cc(C(=O)N(C)Cc2cscn2)c1 ZINC000131616932 196184265 /nfs/dbraw/zinc/18/42/65/196184265.db2.gz HCFLKIRWHVCGAL-UHFFFAOYSA-N 0 0 300.383 2.068 10 30 DEEERN C[C@@H](Nc1ccc(Br)cc1C#N)C(=O)NC1CC1 ZINC000132336256 196247496 /nfs/dbraw/zinc/24/74/96/196247496.db2.gz VRXNAXUDFBRXJA-MRVPVSSYSA-N 0 0 308.179 2.400 10 30 DEEERN CSCC[C@H](C)NC(=O)c1cc(C#CCCO)ccc1F ZINC000132358132 196249010 /nfs/dbraw/zinc/24/90/10/196249010.db2.gz GBRZNQSPCYCPOG-LBPRGKRZSA-N 0 0 309.406 2.431 10 30 DEEERN C#CCn1ncc(Cl)c(NCc2cccc(OC)c2)c1=O ZINC000133882113 196342873 /nfs/dbraw/zinc/34/28/73/196342873.db2.gz ZEMZIQNELRAVTI-UHFFFAOYSA-N 0 0 303.749 2.151 10 30 DEEERN CC[C@@H](CSC)NC(=O)c1ccc(C#CCCO)cc1F ZINC000133981497 196351438 /nfs/dbraw/zinc/35/14/38/196351438.db2.gz LUJKOYODXZHTEA-ZDUSSCGKSA-N 0 0 309.406 2.431 10 30 DEEERN C=CCN(CC(=O)OCC)S(=O)(=O)c1cc(C)cc(C)c1 ZINC000134088938 196359691 /nfs/dbraw/zinc/35/96/91/196359691.db2.gz VPFQUORGDQXCFB-UHFFFAOYSA-N 0 0 311.403 2.043 10 30 DEEERN C=CCN(CC(=O)OCC)[C@@H]1CCOC2(CCSCC2)C1 ZINC000134121083 196363592 /nfs/dbraw/zinc/36/35/92/196363592.db2.gz IRNUSPHMEVUREB-CQSZACIVSA-N 0 0 313.463 2.482 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000134128696 196364494 /nfs/dbraw/zinc/36/44/94/196364494.db2.gz OQVYMEGLTRWIGB-OAHLLOKOSA-N 0 0 300.406 2.330 10 30 DEEERN N#C[C@H](NC(=O)c1cc(N2CCCC2=O)ccc1Cl)C1CC1 ZINC000134306594 196377880 /nfs/dbraw/zinc/37/78/80/196377880.db2.gz ZYOYWUCSEXGGLO-AWEZNQCLSA-N 0 0 317.776 2.499 10 30 DEEERN OCCn1nccc1C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191978807 225122419 /nfs/dbraw/zinc/12/24/19/225122419.db2.gz GFJAAYBMDDMKPJ-UHFFFAOYSA-N 0 0 309.413 2.107 10 30 DEEERN O=C(NCc1ccco1)[C@@H]1CCCN1CC#Cc1ccccc1 ZINC000192023949 225124669 /nfs/dbraw/zinc/12/46/69/225124669.db2.gz BXBFJBWASJZWCK-SFHVURJKSA-N 0 0 308.381 2.412 10 30 DEEERN N#CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247248516 225231208 /nfs/dbraw/zinc/23/12/08/225231208.db2.gz GBAQYZPBAMSTPF-NWANDNLSSA-N 0 0 300.358 2.276 10 30 DEEERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)Cc2cc[nH]n2)cn1 ZINC000328630440 225776939 /nfs/dbraw/zinc/77/69/39/225776939.db2.gz PUZBQBWJGXNGKQ-DZGCQCFKSA-N 0 0 303.366 2.045 10 30 DEEERN NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cc(F)cc3n[nH]nc32)C1 ZINC000328658863 225782036 /nfs/dbraw/zinc/78/20/36/225782036.db2.gz RUXDEXDBGKJHGC-APPZFPTMSA-N 0 0 305.313 2.496 10 30 DEEERN Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)C[C@@H]1CCCCNC1=O ZINC000329162171 225844144 /nfs/dbraw/zinc/84/41/44/225844144.db2.gz FRLRWDRISVCNCG-OBJOEFQTSA-N 0 0 320.393 2.353 10 30 DEEERN Cc1cc(C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)nc(C)n1 ZINC000329821527 225934046 /nfs/dbraw/zinc/93/40/46/225934046.db2.gz AOFPIGJPDVQCGC-GFCCVEGCSA-N 0 0 315.377 2.357 10 30 DEEERN C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000330039210 225960157 /nfs/dbraw/zinc/96/01/57/225960157.db2.gz AYRHCMSXCMACOB-ZGFBFQLVSA-N 0 0 306.362 2.389 10 30 DEEERN N#CC[C@@H]1CC[C@H](NC(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)C1 ZINC000333197458 226102945 /nfs/dbraw/zinc/10/29/45/226102945.db2.gz PXHASIZDXRESTB-QEWYBTABSA-N 0 0 303.406 2.422 10 30 DEEERN CCn1cc([C@@H]2OCCC[C@H]2C(=O)N[C@H]2CCC[C@H]2C#N)cn1 ZINC000334114031 226114950 /nfs/dbraw/zinc/11/49/50/226114950.db2.gz FMVWDUYHCGPXJW-UKMLZYKCSA-N 0 0 316.405 2.179 10 30 DEEERN N#C[C@H]1CN(C(=O)Nc2ccc3c(c2)CCC3)CCN1C1CC1 ZINC000369219229 227027665 /nfs/dbraw/zinc/02/76/65/227027665.db2.gz MZPIBGVFPDZAPP-KRWDZBQOSA-N 0 0 310.401 2.379 10 30 DEEERN Cc1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(C)n1C(C)C ZINC000370968083 227060448 /nfs/dbraw/zinc/06/04/48/227060448.db2.gz JVQUXVLNFKFVBI-INIZCTEOSA-N 0 0 314.433 2.498 10 30 DEEERN N#C[C@H]1CN(C(=O)CCc2cc(F)ccc2F)CCN1C1CC1 ZINC000370995272 227061226 /nfs/dbraw/zinc/06/12/26/227061226.db2.gz YYMMCHDIILOASE-HNNXBMFYSA-N 0 0 319.355 2.096 10 30 DEEERN CCOc1ccc(CN2CCN(C3CC3)[C@H](C#N)C2)cc1F ZINC000373353906 227110068 /nfs/dbraw/zinc/11/00/68/227110068.db2.gz JCDAOBSJSJWGPT-OAHLLOKOSA-N 0 0 303.381 2.397 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Br)o1 ZINC000408217512 227229054 /nfs/dbraw/zinc/22/90/54/227229054.db2.gz ZBJDGQXNMFLSJZ-SFYZADRCSA-N 0 0 319.180 2.013 10 30 DEEERN N#Cc1nc(N[C@@H]2CCCC[C@@H]2C(N)=O)ccc1C(F)(F)F ZINC000619696701 422531243 /nfs/dbraw/zinc/53/12/43/422531243.db2.gz UTVHZFLUJHUMTR-WCBMZHEXSA-N 0 0 312.295 2.428 10 30 DEEERN C=C(C)CN(Cc1cnn(C(C)C)c1)c1nc(C)nc(N)n1 ZINC000631277546 422653535 /nfs/dbraw/zinc/65/35/35/422653535.db2.gz ZLLBYHXHPHQNIU-UHFFFAOYSA-N 0 0 301.398 2.122 10 30 DEEERN N#Cc1ccc(NC(=O)CN2CCC(Cn3cccn3)CC2)cc1 ZINC000105886276 424849449 /nfs/dbraw/zinc/84/94/49/424849449.db2.gz GCZZJBSKHLFZLI-UHFFFAOYSA-N 0 0 323.400 2.105 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)Nc1cc(OC)n(C)n1 ZINC000547515390 424866455 /nfs/dbraw/zinc/86/64/55/424866455.db2.gz AFFZZWJDONVKFA-UHFFFAOYSA-N 0 0 306.410 3.029 10 30 DEEERN Cc1cc(C#N)nc(NC[C@H]2CCCN(c3ccccc3)C2)n1 ZINC000367811620 424869998 /nfs/dbraw/zinc/86/99/98/424869998.db2.gz DRBOLUYDZUISBD-OAHLLOKOSA-N 0 0 307.401 2.985 10 30 DEEERN Cc1cc(C#N)nc(NCc2nnc(-c3ccccc3)s2)n1 ZINC000368545503 424873512 /nfs/dbraw/zinc/87/35/12/424873512.db2.gz MZHGZQZIPMEGPE-UHFFFAOYSA-N 0 0 308.370 2.787 10 30 DEEERN CC[C@H](CNc1nc(C)cc(C#N)n1)Oc1ccccc1F ZINC000553153133 424877260 /nfs/dbraw/zinc/87/72/60/424877260.db2.gz CNSCWWYPNVHDRZ-CYBMUJFWSA-N 0 0 300.337 3.065 10 30 DEEERN C#Cc1ccccc1CC(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000377769468 424903409 /nfs/dbraw/zinc/90/34/09/424903409.db2.gz BAMFONATDWHWHR-UHFFFAOYSA-N 0 0 302.337 2.634 10 30 DEEERN C=CCNc1nnc(SCc2nn(C)cc2Cl)s1 ZINC000421820276 424984783 /nfs/dbraw/zinc/98/47/83/424984783.db2.gz LQVMJLUVWGGBBG-UHFFFAOYSA-N 0 0 301.828 2.815 10 30 DEEERN C=CCCC1(CNC(=O)CNc2ccc(C#N)cn2)CCCC1 ZINC000597926951 425035764 /nfs/dbraw/zinc/03/57/64/425035764.db2.gz NFNNTVQBOVEOSA-UHFFFAOYSA-N 0 0 312.417 3.008 10 30 DEEERN C=C(C)C(C)(C)C(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1 ZINC000598549160 425038727 /nfs/dbraw/zinc/03/87/27/425038727.db2.gz DGXHAYMXFLXKLQ-UHFFFAOYSA-N 0 0 307.394 2.766 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)[C@H]1CCCN(C)C1=O ZINC000448759270 425059452 /nfs/dbraw/zinc/05/94/52/425059452.db2.gz HUHGJAAMWXITER-AWEZNQCLSA-N 0 0 304.365 2.209 10 30 DEEERN N#Cc1cccc(CC(=O)NCCc2ccc3c(c2)OCO3)c1 ZINC000530910097 268275223 /nfs/dbraw/zinc/27/52/23/268275223.db2.gz VUGKFSMGMHUBKR-UHFFFAOYSA-N 0 0 308.337 2.188 10 30 DEEERN Cn1cc(Br)c(CNCc2ccc(C#N)s2)n1 ZINC000393348808 269099135 /nfs/dbraw/zinc/09/91/35/269099135.db2.gz LYJVRDJUWNVODJ-UHFFFAOYSA-N 0 0 311.208 2.406 10 30 DEEERN CC(=O)c1ccc(C#N)c(N2CC[C@@H](Nc3ncccn3)C2)c1 ZINC000514859873 269334462 /nfs/dbraw/zinc/33/44/62/269334462.db2.gz QNMZULIIRMZZLC-OAHLLOKOSA-N 0 0 307.357 2.242 10 30 DEEERN N#Cc1cn2cc(Br)nc(Br)c2n1 ZINC000026255889 279540962 /nfs/dbraw/zinc/54/09/62/279540962.db2.gz JWIKNKJBSJAYRY-UHFFFAOYSA-N 0 0 301.929 2.126 10 30 DEEERN C=C(C)CNC(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000156285517 276863797 /nfs/dbraw/zinc/86/37/97/276863797.db2.gz OOKPBBFAESGIKA-ZFWWWQNUSA-N 0 0 321.808 2.487 10 30 DEEERN C=CCCS(=O)(=O)N1CCCN(c2ccccc2F)CC1 ZINC000375612888 276885508 /nfs/dbraw/zinc/88/55/08/276885508.db2.gz PXBLTYRCCDSDBP-UHFFFAOYSA-N 0 0 312.410 2.244 10 30 DEEERN C=CCCS(=O)(=O)N1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000425209224 276885810 /nfs/dbraw/zinc/88/58/10/276885810.db2.gz OJKWJOGZTUVWMQ-STQMWFEESA-N 0 0 317.451 2.335 10 30 DEEERN C#CCCCCC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000180395424 277671613 /nfs/dbraw/zinc/67/16/13/277671613.db2.gz NILNNFWJYVZFNV-HUUCEWRRSA-N 0 0 305.374 2.124 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC1(C(N)=O)C2CC3CC(C2)CC1C3 ZINC000458305755 277783048 /nfs/dbraw/zinc/78/30/48/277783048.db2.gz OOCPUBFLJXHBJH-XZELYNGVSA-N 0 0 304.434 2.385 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000289346371 277804925 /nfs/dbraw/zinc/80/49/25/277804925.db2.gz ZXEBDZAVLNJVDS-CZUORRHYSA-N 0 0 315.369 2.368 10 30 DEEERN C=CCn1c(N2C[C@@H]3C[C@H]2CS3)nnc1[C@]1(C)CCCO1 ZINC000414527205 277894117 /nfs/dbraw/zinc/89/41/17/277894117.db2.gz LWUCDFLUVPLGAV-HUBLWGQQSA-N 0 0 306.435 2.184 10 30 DEEERN Cc1cc(C#N)nc(N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)n1 ZINC000450863832 278630286 /nfs/dbraw/zinc/63/02/86/278630286.db2.gz SWBKLGWQNVGPRJ-OLZOCXBDSA-N 0 0 321.384 2.435 10 30 DEEERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(C#N)cn1C ZINC000176687954 279012752 /nfs/dbraw/zinc/01/27/52/279012752.db2.gz RKDNIQNJUPPFTH-SNVBAGLBSA-N 0 0 310.313 2.396 10 30 DEEERN Cc1noc([C@@]2(O)CCN(c3c(Cl)cccc3C#N)C2)n1 ZINC000365440284 279256692 /nfs/dbraw/zinc/25/66/92/279256692.db2.gz BEQMITACNCKCCI-CQSZACIVSA-N 0 0 304.737 2.001 10 30 DEEERN N#CC1(c2ccc(C(=O)N3CCCC4(C3)OCCO4)cc2)CC1 ZINC000180757591 294797158 /nfs/dbraw/zinc/79/71/58/294797158.db2.gz BTWRFLYEYSCUIC-UHFFFAOYSA-N 0 0 312.369 2.221 10 30 DEEERN O=C(N[C@@H]1CCOC2(CCC2)C1)N1CCC[C@@H]1Cn1ccnc1 ZINC000330216052 295381251 /nfs/dbraw/zinc/38/12/51/295381251.db2.gz HKZLFYHJFINPNP-HUUCEWRRSA-N 0 0 318.421 2.363 10 30 DEEERN O=C(N[C@H]1CCCC12CCOCC2)N1CCc2cncnc2C1 ZINC000328842275 295386520 /nfs/dbraw/zinc/38/65/20/295386520.db2.gz URKKPRRUEXIDII-HNNXBMFYSA-N 0 0 316.405 2.098 10 30 DEEERN O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000330040602 295388233 /nfs/dbraw/zinc/38/82/33/295388233.db2.gz CMWNVXOVENQJKZ-WGNDUZGJSA-N 0 0 315.295 2.135 10 30 DEEERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000329871321 297560845 /nfs/dbraw/zinc/56/08/45/297560845.db2.gz CJDCKDTXOAQQNK-MPTYRVRUSA-N 0 0 306.406 2.255 10 30 DEEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CCc2sccc2[C@@H]1C ZINC000282990617 298277107 /nfs/dbraw/zinc/27/71/07/298277107.db2.gz MXFVJBZDWDASLO-MNOVXSKESA-N 0 0 313.448 2.146 10 30 DEEERN C[C@H]1C[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)CC(C)(C)C1 ZINC000408066393 300462006 /nfs/dbraw/zinc/46/20/06/300462006.db2.gz XYYDFKSJNWXSTO-KBPBESRZSA-N 0 0 305.422 2.033 10 30 DEEERN Cn1nccc1N1CCC[C@@H](Nc2ccc(F)cc2C#N)C1=O ZINC000573774131 326089892 /nfs/dbraw/zinc/08/98/92/326089892.db2.gz FUHXEVOZEXAXLG-CQSZACIVSA-N 0 0 313.336 2.038 10 30 DEEERN N#Cc1cccc(CC(=O)NCCc2ccc3c(c2)CCO3)c1 ZINC000574973814 326205582 /nfs/dbraw/zinc/20/55/82/326205582.db2.gz JWHYFRPQEDXRSG-UHFFFAOYSA-N 0 0 306.365 2.395 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000556635881 331722277 /nfs/dbraw/zinc/72/22/77/331722277.db2.gz IFBOSFHXPJLRAL-KGLIPLIRSA-N 0 0 308.422 2.463 10 30 DEEERN Cc1cc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1F ZINC000363407431 331899123 /nfs/dbraw/zinc/89/91/23/331899123.db2.gz XSKDEMFVPSBHQN-AWEZNQCLSA-N 0 0 302.353 2.338 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc2c1CC(=O)CC2 ZINC000558571171 331924864 /nfs/dbraw/zinc/92/48/64/331924864.db2.gz IVJMFJMOSMDIMU-KBXCAEBGSA-N 0 0 313.397 2.455 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000560431797 332339226 /nfs/dbraw/zinc/33/92/26/332339226.db2.gz KTQBMPYSHWMZLN-RDBSUJKOSA-N 0 0 310.781 2.016 10 30 DEEERN C=C(C)Cn1c(N2CCOC(C)(C)C2)nnc1[C@]1(C)CCCO1 ZINC000583363972 332355474 /nfs/dbraw/zinc/35/54/74/332355474.db2.gz XISSRIZJOYCBLL-KRWDZBQOSA-N 0 0 320.437 2.495 10 30 DEEERN C=CCn1c(N(C)C[C@@H]2CCCO2)nnc1[C@]1(C)CCCO1 ZINC000562569317 332605833 /nfs/dbraw/zinc/60/58/33/332605833.db2.gz TZGZBECQKCYIGH-BBRMVZONSA-N 0 0 306.410 2.105 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CCC=C(C)C3)cc2C1=O ZINC000570151055 332717620 /nfs/dbraw/zinc/71/76/20/332717620.db2.gz DQAFFLRGKYLOOC-UHFFFAOYSA-N 0 0 310.353 2.261 10 30 DEEERN COc1ccc(C)cc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000365241323 333399730 /nfs/dbraw/zinc/39/97/30/333399730.db2.gz QIIBSGUIZSPYAG-AWEZNQCLSA-N 0 0 314.389 2.208 10 30 DEEERN CC[C@](C)(C#N)NC(=O)c1cc(C)n(-c2nc(C)cc(C)n2)n1 ZINC000535724079 335744789 /nfs/dbraw/zinc/74/47/89/335744789.db2.gz XRMQFBQZCZLZTI-MRXNPFEDSA-N 0 0 312.377 2.010 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CCC(=C)CC1 ZINC000584511772 337353678 /nfs/dbraw/zinc/35/36/78/337353678.db2.gz RYRLLHKBNCKJOZ-UHFFFAOYSA-N 0 0 313.409 2.115 10 30 DEEERN Cn1c(C(N)=O)cc2cc(C#N)cc(-c3ccc(CO)cc3)c21 ZINC000584618358 337373183 /nfs/dbraw/zinc/37/31/83/337373183.db2.gz GRMLMKCMPGOJCC-UHFFFAOYSA-N 0 0 305.337 2.308 10 30 DEEERN C=CCC[C@H]1NC(=O)N([C@@H]2COc3ccc(F)cc3C2)C1=O ZINC000571777918 337576583 /nfs/dbraw/zinc/57/65/83/337576583.db2.gz GTZLGNYDIXTCLR-QWHCGFSZSA-N 0 0 304.321 2.016 10 30 DEEERN C=CCCCCNC(=O)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000274552060 337660275 /nfs/dbraw/zinc/66/02/75/337660275.db2.gz VETQHQPYEQKDQK-UHFFFAOYSA-N 0 0 320.389 2.423 10 30 DEEERN C=CCOCCCC(=O)NCCc1csc(N2CCCC2)n1 ZINC000080294716 337669071 /nfs/dbraw/zinc/66/90/71/337669071.db2.gz NUGNRRREBXPXDW-UHFFFAOYSA-N 0 0 323.462 2.385 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(NC(=O)CC)c1 ZINC000572476316 338120123 /nfs/dbraw/zinc/12/01/23/338120123.db2.gz QGEGYYFIAPPBGL-ZFWWWQNUSA-N 0 0 302.374 2.356 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1COc2c1ccc(C)c2C ZINC000516721041 340454705 /nfs/dbraw/zinc/45/47/05/340454705.db2.gz DCWRZVKEKASSMH-KFWWJZLASA-N 0 0 302.374 2.380 10 30 DEEERN C=CCCCCCNC(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000565180551 340527912 /nfs/dbraw/zinc/52/79/12/340527912.db2.gz XRUBDXUTMRRWNZ-CQSZACIVSA-N 0 0 316.467 2.199 10 30 DEEERN C=CCC1(C(=O)N[C@H]2Cc3ccccc3NC2=O)CCOCC1 ZINC000529946044 340774721 /nfs/dbraw/zinc/77/47/21/340774721.db2.gz ZMWZAXRZAGYOQJ-HNNXBMFYSA-N 0 0 314.385 2.039 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000130583391 341029534 /nfs/dbraw/zinc/02/95/34/341029534.db2.gz AEDUTOFPTDADOW-UHFFFAOYSA-N 0 0 312.373 2.235 10 30 DEEERN COc1cccc(COCC(=O)N2CCC(C)(C#N)CC2)c1 ZINC000543744324 341056385 /nfs/dbraw/zinc/05/63/85/341056385.db2.gz WLNZOEDTNZRWPL-UHFFFAOYSA-N 0 0 302.374 2.364 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ncc(-c2ccccc2)o1 ZINC000543768268 341057823 /nfs/dbraw/zinc/05/78/23/341057823.db2.gz IIQQSBLRALMBLC-ZDUSSCGKSA-N 0 0 301.346 2.078 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCOc1ccc(F)c(Cl)c1 ZINC000547404444 341211354 /nfs/dbraw/zinc/21/13/54/341211354.db2.gz KCTKFBZPPDGUFJ-SNVBAGLBSA-N 0 0 301.745 2.301 10 30 DEEERN C=CCc1cc(CNc2cc(OC)n(C)n2)cc(OC)c1O ZINC000548146810 341249254 /nfs/dbraw/zinc/24/92/54/341249254.db2.gz AICOZEMIQKTMQT-UHFFFAOYSA-N 0 0 303.362 2.484 10 30 DEEERN CC1(C#N)CCN(C(=O)C(=O)Nc2cccc3cc[nH]c32)CC1 ZINC000548463415 341261849 /nfs/dbraw/zinc/26/18/49/341261849.db2.gz HMGMQBJSCVVCGI-UHFFFAOYSA-N 0 0 310.357 2.259 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CC[C@@H](C(C)C)C1 ZINC000549677295 341300290 /nfs/dbraw/zinc/30/02/90/341300290.db2.gz UOFQDICLGBFPOM-HUUCEWRRSA-N 0 0 320.437 2.424 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(N(C)C(=O)NCC)c1 ZINC000556302181 341501078 /nfs/dbraw/zinc/50/10/78/341501078.db2.gz PXSUZMIVQZISJL-CABCVRRESA-N 0 0 317.389 2.382 10 30 DEEERN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(C)(C)C)c1 ZINC000566567911 341561958 /nfs/dbraw/zinc/56/19/58/341561958.db2.gz DAAWJJCZRPBZFE-GFCCVEGCSA-N 0 0 324.446 2.315 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000567695482 341628150 /nfs/dbraw/zinc/62/81/50/341628150.db2.gz YWXXUSBCVWXERW-STQMWFEESA-N 0 0 320.389 2.129 10 30 DEEERN C=CCN(C)c1nnc([C@]2(C)CCCO2)n1C[C@H]1CCCCO1 ZINC000568721790 341679646 /nfs/dbraw/zinc/67/96/46/341679646.db2.gz VAZAONCIOCMRBD-PBHICJAKSA-N 0 0 320.437 2.495 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc2c(n1)CCCC2 ZINC000576393756 341843841 /nfs/dbraw/zinc/84/38/41/341843841.db2.gz YLDBKXTXMLNLQH-YOEHRIQHSA-N 0 0 315.417 2.351 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1nc(C2CC2)cs1 ZINC000577768785 341935859 /nfs/dbraw/zinc/93/58/59/341935859.db2.gz QDRWGDDGIVNWRP-UHFFFAOYSA-N 0 0 321.446 2.499 10 30 DEEERN C[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)Cn1cccn1 ZINC000188308308 533886821 /nfs/dbraw/zinc/88/68/21/533886821.db2.gz WKJORVGTTHVEIO-AWEZNQCLSA-N 0 0 308.385 2.239 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](O)Cc1ccccc1 ZINC000487654484 534316604 /nfs/dbraw/zinc/31/66/04/534316604.db2.gz CNQJRLIKBBZMAM-BQFCYCMXSA-N 0 0 303.402 2.078 10 30 DEEERN C=CC[C@H](C(=O)N1CCN(c2cccnn2)CC1)c1ccccc1 ZINC000187390025 534324958 /nfs/dbraw/zinc/32/49/58/534324958.db2.gz MIGWWKICHYXSED-KRWDZBQOSA-N 0 0 322.412 2.485 10 30 DEEERN CC(C)(C(=O)NC[C@@H](CO)C1CC1)c1cc(F)cc(C#N)c1 ZINC000358335651 534341365 /nfs/dbraw/zinc/34/13/65/534341365.db2.gz IAKLXSOMTJCYDN-ZDUSSCGKSA-N 0 0 304.365 2.110 10 30 DEEERN C=CC[C@H](CC)NC(=O)N[C@@H]1C[C@H](OCC)[C@H]1n1cccn1 ZINC000454919683 534373216 /nfs/dbraw/zinc/37/32/16/534373216.db2.gz UAPOZLFVJUOQPC-XGUBFFRZSA-N 0 0 306.410 2.256 10 30 DEEERN Cc1nc(C[C@H]2CCCN(c3nnc(C)c(C)c3C#N)C2)no1 ZINC000299629731 534416136 /nfs/dbraw/zinc/41/61/36/534416136.db2.gz SMPZEFIUPQMPBF-CYBMUJFWSA-N 0 0 312.377 2.116 10 30 DEEERN C=CCn1c(N2CCSC[C@H]2C)nnc1[C@]1(C)CCCO1 ZINC000453446999 534442317 /nfs/dbraw/zinc/44/23/17/534442317.db2.gz WZDMPVGVGWEWOA-DOMZBBRYSA-N 0 0 308.451 2.431 10 30 DEEERN Cc1nsc(N2CCCN(CC#Cc3ccccc3)CC2)n1 ZINC000192046355 534504267 /nfs/dbraw/zinc/50/42/67/534504267.db2.gz RFRQZIMDWCXVON-UHFFFAOYSA-N 0 0 312.442 2.410 10 30 DEEERN C=CC(C)(C)CNC(=O)N1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000455389078 534508215 /nfs/dbraw/zinc/50/82/15/534508215.db2.gz SPENRGCZKFMUNE-CQSZACIVSA-N 0 0 320.437 2.332 10 30 DEEERN C=CCC(C)(C)CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000458810165 534547947 /nfs/dbraw/zinc/54/79/47/534547947.db2.gz MCPZYZXCGVSQDL-GJZGRUSLSA-N 0 0 324.465 2.456 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CCC(C)(C)C)C(=O)OCC ZINC000450811090 534580269 /nfs/dbraw/zinc/58/02/69/534580269.db2.gz ZDXUWVDQBNSFBK-MCIONIFRSA-N 0 0 311.422 2.452 10 30 DEEERN Cc1cccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1Cl ZINC000372204253 534594027 /nfs/dbraw/zinc/59/40/27/534594027.db2.gz MQMHSYHYBOKHGV-CYBMUJFWSA-N 0 0 303.793 2.461 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](O)C1CCC1 ZINC000449808687 534839243 /nfs/dbraw/zinc/83/92/43/534839243.db2.gz AXUVARBHCIQEOS-OAHLLOKOSA-N 0 0 304.346 2.270 10 30 DEEERN COc1cccc(CNC(=O)CSc2ccc(C#N)cc2)n1 ZINC000103077529 525972596 /nfs/dbraw/zinc/97/25/96/525972596.db2.gz JOTNMANZEOZKLK-UHFFFAOYSA-N 0 0 313.382 2.370 10 30 DEEERN C=CCN(CCOC)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000191980302 526295971 /nfs/dbraw/zinc/29/59/71/526295971.db2.gz UXKHWYRVZJOFGI-UHFFFAOYSA-N 0 0 303.318 2.351 10 30 DEEERN CC#CCCNC(=O)N1CCC[C@H]1COc1cccnc1C ZINC000419482147 526319327 /nfs/dbraw/zinc/31/93/27/526319327.db2.gz PWCRZIFHYPAKPW-HNNXBMFYSA-N 0 0 301.390 2.356 10 30 DEEERN CNC(=O)Cn1cc(NC(=O)C[C@H]2CCCCC(=O)N2)cn1 ZINC000328632055 526399676 /nfs/dbraw/zinc/39/96/76/526399676.db2.gz ADFCONPMYKHNDE-SNVBAGLBSA-N 0 0 307.354 2.347 10 30 DEEERN C=CCN1C(=O)N([C@H]2CCCOC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000345265098 526404331 /nfs/dbraw/zinc/40/43/31/526404331.db2.gz LUSLZXMWBGGROA-HOTGVXAUSA-N 0 0 314.385 2.227 10 30 DEEERN CC(=O)N(C)c1ccc(C(=O)NC2(C#N)CCSCC2)cc1 ZINC000331108696 526471029 /nfs/dbraw/zinc/47/10/29/526471029.db2.gz HLMAIQFBHHRVMW-UHFFFAOYSA-N 0 0 317.414 2.188 10 30 DEEERN C=C(C)COCCNC(=O)N1CCc2cc(OC)c(F)cc2C1 ZINC000346778463 526638142 /nfs/dbraw/zinc/63/81/42/526638142.db2.gz IOQYGAITIMBRKL-UHFFFAOYSA-N 0 0 322.380 2.495 10 30 DEEERN C#CCC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000192211953 526667104 /nfs/dbraw/zinc/66/71/04/526667104.db2.gz LSPXCIIUTSUOGN-HNNXBMFYSA-N 0 0 316.376 2.092 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000287682688 526669890 /nfs/dbraw/zinc/66/98/90/526669890.db2.gz LMPRYQYGLRMOEJ-OAHLLOKOSA-N 0 0 303.402 2.372 10 30 DEEERN C=CCOCC(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000341768682 526692558 /nfs/dbraw/zinc/69/25/58/526692558.db2.gz ROSBVHMYQKYERQ-UHFFFAOYSA-N 0 0 310.344 2.206 10 30 DEEERN C#CCCCCNC(=O)N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000368342425 526698880 /nfs/dbraw/zinc/69/88/80/526698880.db2.gz GVFVKUVQYWUTTD-HNNXBMFYSA-N 0 0 319.405 2.395 10 30 DEEERN C#CCCCCNC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000152273188 526702626 /nfs/dbraw/zinc/70/26/26/526702626.db2.gz MWXSDFRCPSVCGM-CYBMUJFWSA-N 0 0 320.824 2.416 10 30 DEEERN C#CCCCS(=O)(=O)N1CCC(OCC2CCCC2)CC1 ZINC000376310526 526716594 /nfs/dbraw/zinc/71/65/94/526716594.db2.gz QROPVKKOHYOFSQ-UHFFFAOYSA-N 0 0 313.463 2.401 10 30 DEEERN C=CCOCCCC(=O)N1CCNC[C@H]1c1ccccc1OC ZINC000261916579 526734708 /nfs/dbraw/zinc/73/47/08/526734708.db2.gz ICRXZTCMLIBSBG-INIZCTEOSA-N 0 0 318.417 2.151 10 30 DEEERN C=CCOCCNC(=O)N(C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000378588067 526774781 /nfs/dbraw/zinc/77/47/81/526774781.db2.gz ABFHCEGRPFFBLQ-CZUORRHYSA-N 0 0 304.390 2.223 10 30 DEEERN C=CCOCCNC(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000371651200 526777530 /nfs/dbraw/zinc/77/75/30/526777530.db2.gz OIKSFDAWQJQEKK-OAHLLOKOSA-N 0 0 308.353 2.111 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC1CCC(OC)CC1 ZINC000437935057 526796491 /nfs/dbraw/zinc/79/64/91/526796491.db2.gz RFRDZJMOGIUHJO-GRAKBVBRSA-N 0 0 310.438 2.472 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N(c2cccc(C(C)(F)F)c2)C1=O ZINC000348644884 526802215 /nfs/dbraw/zinc/80/22/15/526802215.db2.gz CXHFLQKVISMAQN-LBPRGKRZSA-N 0 0 310.300 2.426 10 30 DEEERN C=C(CNC(=O)N1CCSC[C@@H]1CCO)c1ccccc1 ZINC000358593589 526867724 /nfs/dbraw/zinc/86/77/24/526867724.db2.gz RQXVLLGBEFDHMA-HNNXBMFYSA-N 0 0 306.431 2.209 10 30 DEEERN C=CCOc1ccc(CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000377207402 526878124 /nfs/dbraw/zinc/87/81/24/526878124.db2.gz KHTFXXITGMWOAM-IYBDPMFKSA-N 0 0 302.374 2.324 10 30 DEEERN C=C(Cl)CNC(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000369488611 526888608 /nfs/dbraw/zinc/88/86/08/526888608.db2.gz VOBBZEZNDLXXDT-SECBINFHSA-N 0 0 314.719 2.186 10 30 DEEERN C=C(Cl)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000363840150 526890466 /nfs/dbraw/zinc/89/04/66/526890466.db2.gz YPGRPFFONCYVBO-IHRRRGAJSA-N 0 0 320.824 2.483 10 30 DEEERN C=CCOc1ccccc1CNC(=O)NCC1(CCO)CC1 ZINC000187077594 526941034 /nfs/dbraw/zinc/94/10/34/526941034.db2.gz MTUPTVHZBWBHMB-UHFFFAOYSA-N 0 0 304.390 2.213 10 30 DEEERN C=CCC(C)(C)CNC(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C ZINC000432559197 527009033 /nfs/dbraw/zinc/00/90/33/527009033.db2.gz CIWABISVJMUGIG-OLZOCXBDSA-N 0 0 300.443 2.046 10 30 DEEERN C=CC[C@@H](C)NC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000373879184 527028239 /nfs/dbraw/zinc/02/82/39/527028239.db2.gz SYZBDPTUHYCYGH-KFWWJZLASA-N 0 0 307.438 2.431 10 30 DEEERN C=CCC1(C(=O)Nc2cc(C(=O)OC)ccn2)CCOCC1 ZINC000424672104 527059566 /nfs/dbraw/zinc/05/95/66/527059566.db2.gz XFUPYECMRPTWTR-UHFFFAOYSA-N 0 0 304.346 2.180 10 30 DEEERN C=CCCC(=O)N1CCC(NC(=O)c2scnc2C)CC1 ZINC000364503408 527067835 /nfs/dbraw/zinc/06/78/35/527067835.db2.gz OSLRPECWEPLCCE-UHFFFAOYSA-N 0 0 307.419 2.139 10 30 DEEERN C=CCCC(=O)N1CCCN(C(=O)c2cccc(OC)c2)CC1 ZINC000363619265 527069136 /nfs/dbraw/zinc/06/91/36/527069136.db2.gz BSXOSQLDDPYCMB-UHFFFAOYSA-N 0 0 316.401 2.336 10 30 DEEERN C=CCCC(=O)NC[C@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000370895612 527073633 /nfs/dbraw/zinc/07/36/33/527073633.db2.gz PNUVCPWOMBNSTQ-MRXNPFEDSA-N 0 0 300.402 2.160 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000186226012 527092732 /nfs/dbraw/zinc/09/27/32/527092732.db2.gz YDHXIVMHOYBGIS-CABCVRRESA-N 0 0 321.396 2.031 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)Cn1cncn1 ZINC000413212743 527110474 /nfs/dbraw/zinc/11/04/74/527110474.db2.gz YZIOVNHQNHRHDV-HOCLYGCPSA-N 0 0 313.405 2.153 10 30 DEEERN C#CCOc1cccc(NC(=O)N[C@@H](CC)[C@H](O)C(F)F)c1 ZINC000296681479 527123452 /nfs/dbraw/zinc/12/34/52/527123452.db2.gz PRUZBYDUUMXDJS-STQMWFEESA-N 0 0 312.316 2.225 10 30 DEEERN C=CC[C@H](C)NC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000342071016 527131866 /nfs/dbraw/zinc/13/18/66/527131866.db2.gz CYONYVMCXQKSBG-OFQRWUPVSA-N 0 0 315.417 2.440 10 30 DEEERN C=CCCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O ZINC000296818668 527132913 /nfs/dbraw/zinc/13/29/13/527132913.db2.gz VODYOKHZULGPKB-UHFFFAOYSA-N 0 0 324.358 2.486 10 30 DEEERN C=CCCCCNC(=O)C(=O)NC[C@@H]1CC12CCSCC2 ZINC000422585727 527140455 /nfs/dbraw/zinc/14/04/55/527140455.db2.gz AETKABQCUSLFHJ-ZDUSSCGKSA-N 0 0 310.463 2.108 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@](C)(CC)CCO ZINC000288154099 527161874 /nfs/dbraw/zinc/16/18/74/527161874.db2.gz MJPOTYIORHVEOM-WMZOPIPTSA-N 0 0 302.418 2.471 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CCCCCO ZINC000288196255 527171550 /nfs/dbraw/zinc/17/15/50/527171550.db2.gz PDJAKGTUHSBQFA-QGZVFWFLSA-N 0 0 302.418 2.425 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](C)CCCO ZINC000297591770 527172950 /nfs/dbraw/zinc/17/29/50/527172950.db2.gz DCDYUUHQJZBLHT-NVXWUHKLSA-N 0 0 302.418 2.329 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000298186800 527174229 /nfs/dbraw/zinc/17/42/29/527174229.db2.gz VYFCLKWPRYTSQM-MRXNPFEDSA-N 0 0 316.401 2.011 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1Cc2ccccc2C[C@H]1C ZINC000410744384 527175534 /nfs/dbraw/zinc/17/55/34/527175534.db2.gz FJHQZGNVJJPDIT-CQSZACIVSA-N 0 0 300.402 2.384 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCCOc1ccc2c(c1)CCC2 ZINC000337027703 527193291 /nfs/dbraw/zinc/19/32/91/527193291.db2.gz DDYBYAZDXHYMTC-MRXNPFEDSA-N 0 0 303.402 2.388 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@H](OC)c1ccc(Cl)cc1 ZINC000341605919 527196557 /nfs/dbraw/zinc/19/65/57/527196557.db2.gz ZXWUBFZYSFTKRW-KGLIPLIRSA-N 0 0 312.797 2.264 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000337044051 527206317 /nfs/dbraw/zinc/20/63/17/527206317.db2.gz DJQGBLRCYAXYRN-GFCCVEGCSA-N 0 0 322.380 2.477 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000448322264 527209243 /nfs/dbraw/zinc/20/92/43/527209243.db2.gz RDETYWIBPVUMPS-UHFFFAOYSA-N 0 0 317.389 2.302 10 30 DEEERN C=CCCCNC(=O)Nc1nc(CN2CCOCC2)cs1 ZINC000447899369 527223344 /nfs/dbraw/zinc/22/33/44/527223344.db2.gz STFOEWIBZWBJPM-UHFFFAOYSA-N 0 0 310.423 2.063 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)CS(=O)(=O)N(C)C ZINC000356820420 527257255 /nfs/dbraw/zinc/25/72/55/527257255.db2.gz XJFWOZLZCBUCOR-UHFFFAOYSA-N 0 0 324.446 2.368 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1CCOC1 ZINC000187929632 527258255 /nfs/dbraw/zinc/25/82/55/527258255.db2.gz OZFINBXJOLHWPJ-CQSZACIVSA-N 0 0 316.401 2.382 10 30 DEEERN C=CCn1c(-c2cccn2C)nnc1N1CCO[C@H](C2CC2)C1 ZINC000337867351 527276231 /nfs/dbraw/zinc/27/62/31/527276231.db2.gz RDISFFNVMZKGOF-HNNXBMFYSA-N 0 0 313.405 2.085 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)N(C)Cc1cnccc1C ZINC000352237325 527276510 /nfs/dbraw/zinc/27/65/10/527276510.db2.gz IJYNWOZVGDUZPK-AWEZNQCLSA-N 0 0 303.406 2.209 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000181373993 527292101 /nfs/dbraw/zinc/29/21/01/527292101.db2.gz MQIWKBPNJOTUHL-GJZGRUSLSA-N 0 0 319.453 2.433 10 30 DEEERN C=CCCN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000342043930 527314724 /nfs/dbraw/zinc/31/47/24/527314724.db2.gz VCPVQGCOYFJMFU-DOTOQJQBSA-N 0 0 316.401 2.249 10 30 DEEERN C#C[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000248609853 527341151 /nfs/dbraw/zinc/34/11/51/527341151.db2.gz WVSGJBXQVYXBLT-VQISRLSMSA-N 0 0 307.344 2.031 10 30 DEEERN C=CCCOCCNC(=O)N1CC(O)(c2ccc(Cl)cc2)C1 ZINC000378119429 527348098 /nfs/dbraw/zinc/34/80/98/527348098.db2.gz YZHIUHUCZRUBME-UHFFFAOYSA-N 0 0 324.808 2.146 10 30 DEEERN C=CCCOCCNC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000122711454 527349398 /nfs/dbraw/zinc/34/93/98/527349398.db2.gz IERCJZCWWXBYQE-OAHLLOKOSA-N 0 0 320.437 2.476 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N(CC)C[C@H](C)CC ZINC000289859669 527352428 /nfs/dbraw/zinc/35/24/28/527352428.db2.gz YMLVUSYCBLYDFM-KGLIPLIRSA-N 0 0 308.426 2.424 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@@H](C)[C@H]1CC ZINC000289519629 527353223 /nfs/dbraw/zinc/35/32/23/527353223.db2.gz CESSUGVMEMGJAA-MCIONIFRSA-N 0 0 306.410 2.177 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCNC[C@H]1c1ccccc1OC ZINC000262106352 527392054 /nfs/dbraw/zinc/39/20/54/527392054.db2.gz ZPUGJTCXZZKYJQ-ZBFHGGJFSA-N 0 0 318.417 2.149 10 30 DEEERN C=CCC[C@@H](C(=O)N1CC(=O)N(C)[C@H](C)C1)c1ccccc1 ZINC000337687262 527422566 /nfs/dbraw/zinc/42/25/66/527422566.db2.gz JQNLTIYDWNQHPC-GDBMZVCRSA-N 0 0 300.402 2.426 10 30 DEEERN C=CCC[C@@H](C(=O)N1CCCN(C)C(=O)C1)c1ccccc1 ZINC000189793744 527422916 /nfs/dbraw/zinc/42/29/16/527422916.db2.gz DUHUJGIBABNZOP-MRXNPFEDSA-N 0 0 300.402 2.427 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CCC[C@H]2c2nc(C)no2)cc1 ZINC000296606101 527436032 /nfs/dbraw/zinc/43/60/32/527436032.db2.gz HTTZEQZEVDFIAH-HNNXBMFYSA-N 0 0 310.357 2.406 10 30 DEEERN C#Cc1ccc(CNC(=O)N[C@H](C)c2nnc(C)s2)cc1 ZINC000296645550 527436577 /nfs/dbraw/zinc/43/65/77/527436577.db2.gz MQBKRQUVDSEXJU-SNVBAGLBSA-N 0 0 300.387 2.388 10 30 DEEERN C#Cc1ccc(CNC(=O)c2ccnc(O[C@@H]3CCOC3)c2)cc1 ZINC000295532497 527436929 /nfs/dbraw/zinc/43/69/29/527436929.db2.gz RKSLCXJBIYIQBA-QGZVFWFLSA-N 0 0 322.364 2.161 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000427659737 527447383 /nfs/dbraw/zinc/44/73/83/527447383.db2.gz LMANKZAZBHWQRN-TZMCWYRMSA-N 0 0 316.405 2.360 10 30 DEEERN C#Cc1cccc(NC(=O)N2CCO[C@]3(CCCOC3)C2)c1 ZINC000286926949 527456439 /nfs/dbraw/zinc/45/64/39/527456439.db2.gz FXYXUXDSNNTPNP-QGZVFWFLSA-N 0 0 300.358 2.081 10 30 DEEERN C=CCC[C@H](C(=O)N1CCCN(C)C(=O)C1)c1ccccc1 ZINC000189793725 527462278 /nfs/dbraw/zinc/46/22/78/527462278.db2.gz DUHUJGIBABNZOP-INIZCTEOSA-N 0 0 300.402 2.427 10 30 DEEERN C=CCC[C@H](NC(=O)N1CC[C@@H](C(=O)NC)C1)c1ccccc1 ZINC000420815721 527477552 /nfs/dbraw/zinc/47/75/52/527477552.db2.gz JSIPPRNJQMLAAG-CVEARBPZSA-N 0 0 315.417 2.471 10 30 DEEERN CC(=O)NC(C)(C)c1noc(C[C@H](C)N2CCCCC2=O)n1 ZINC000329658881 527540156 /nfs/dbraw/zinc/54/01/56/527540156.db2.gz HKXGTMOTABBUEE-JTQLQIEISA-N 0 0 308.382 2.225 10 30 DEEERN C=C[C@H](CC(=O)N(C)C[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000340219488 527572722 /nfs/dbraw/zinc/57/27/22/527572722.db2.gz VZMVRVWBLWAPAS-HUUCEWRRSA-N 0 0 321.442 2.239 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H](CC)N1CCO[C@H](CC)C1 ZINC000339252011 527586589 /nfs/dbraw/zinc/58/65/89/527586589.db2.gz DZXHKAPCAJLHEI-OLZOCXBDSA-N 0 0 322.371 2.453 10 30 DEEERN C=C[C@](C)(CC)C(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2 ZINC000447678414 527613409 /nfs/dbraw/zinc/61/34/09/527613409.db2.gz ZPIKMNPEXAWYPL-GOSISDBHSA-N 0 0 315.417 2.071 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000289973920 527629621 /nfs/dbraw/zinc/62/96/21/527629621.db2.gz FXMPBOBAIZAOFT-PVUWLOKVSA-N 0 0 307.365 2.441 10 30 DEEERN CCN(CC)C(=O)C1CCN(c2ccc(C)c(C#N)n2)CC1 ZINC000302605179 527988606 /nfs/dbraw/zinc/98/86/06/527988606.db2.gz DAJAHVFTUUYWPY-UHFFFAOYSA-N 0 0 300.406 2.347 10 30 DEEERN CCC[C@H](C)N1C[C@H](C(=O)N2CCC(C)(C#N)CC2)CC1=O ZINC000356982723 528053912 /nfs/dbraw/zinc/05/39/12/528053912.db2.gz VOEMRUCOZPULAZ-UONOGXRCSA-N 0 0 305.422 2.176 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](c2nccs2)C1 ZINC000195357596 528621082 /nfs/dbraw/zinc/62/10/82/528621082.db2.gz SVMYVCKVHLVLMZ-KBPBESRZSA-N 0 0 320.462 2.331 10 30 DEEERN CC1(C#N)CCN(C(=O)c2ccnc(N3CCCCC3)n2)CC1 ZINC000356981686 528839630 /nfs/dbraw/zinc/83/96/30/528839630.db2.gz UWWIRWKNOHIFRX-UHFFFAOYSA-N 0 0 313.405 2.233 10 30 DEEERN COCCN(CCC#N)C(=O)c1coc(Br)c1 ZINC000103215701 625382289 /nfs/dbraw/zinc/38/22/89/625382289.db2.gz WRQHYULLPWCAEG-UHFFFAOYSA-N 0 0 301.140 2.044 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)OCCNC(=O)c1ccccc1 ZINC000187607608 622852416 /nfs/dbraw/zinc/85/24/16/622852416.db2.gz AVQPKFKZSPPSBQ-QGZVFWFLSA-N 0 0 305.374 2.188 10 30 DEEERN C=C[C@@H](C)OC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000187621431 622862673 /nfs/dbraw/zinc/86/26/73/622862673.db2.gz IGJBCSTWPSIATD-SECBINFHSA-N 0 0 310.400 2.107 10 30 DEEERN C=CCOCCCC(=O)O[C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000187654086 622871962 /nfs/dbraw/zinc/87/19/62/622871962.db2.gz NTDBHRGWULVTSX-HUUCEWRRSA-N 0 0 312.406 2.487 10 30 DEEERN C#C[C@H](C)OC(=O)/C=C\c1ccc(I)o1 ZINC000255682445 625621844 /nfs/dbraw/zinc/62/18/44/625621844.db2.gz FIHFEVDCVLZJNX-TVSKSKRASA-N 0 0 316.094 2.462 10 30 DEEERN C#CC[C@H](OC(=O)C1CCN(c2cnccn2)CC1)C(C)C ZINC000177719334 625069564 /nfs/dbraw/zinc/06/95/64/625069564.db2.gz LMFXOCDAVFIIFD-HNNXBMFYSA-N 0 0 301.390 2.284 10 30 DEEERN O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)[C@@H]1C[C@H]1C1CC1 ZINC000328646536 625080173 /nfs/dbraw/zinc/08/01/73/625080173.db2.gz SQVXGPFXDKQSGR-XDQVBPFNSA-N 0 0 304.369 2.396 10 30 DEEERN CN(C)c1ncccc1N(C)C(=O)c1ccccc1OCC#N ZINC000176784652 625175148 /nfs/dbraw/zinc/17/51/48/625175148.db2.gz YINKHYYAIQKFBF-UHFFFAOYSA-N 0 0 310.357 2.327 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000733672877 633263358 /nfs/dbraw/zinc/26/33/58/633263358.db2.gz GWAMCVJBMJBHJU-UHFFFAOYSA-N 0 0 318.682 2.437 10 30 DEEERN C=C(COC(=O)c1csc(-c2ccccn2)n1)C(=O)OCC ZINC000734029668 633312740 /nfs/dbraw/zinc/31/27/40/633312740.db2.gz LIVLUGJRSKVLHU-UHFFFAOYSA-N 0 0 318.354 2.481 10 30 DEEERN C=C(COC(=O)c1cc2c(c(Cl)c1)OCO2)C(=O)OCC ZINC000734027346 633313245 /nfs/dbraw/zinc/31/32/45/633313245.db2.gz KIMOMZGVBMFLEE-UHFFFAOYSA-N 0 0 312.705 2.345 10 30 DEEERN C=C(COC(=O)[C@@H](c1ccccc1)n1cccn1)C(=O)OCC ZINC000734030220 633313730 /nfs/dbraw/zinc/31/37/30/633313730.db2.gz ZFJNJXTUCAISKF-OAHLLOKOSA-N 0 0 314.341 2.135 10 30 DEEERN C=CC[C@@H](NC(=O)c1cnn2ccc(C)nc12)c1ccncc1 ZINC000734234755 633348391 /nfs/dbraw/zinc/34/83/91/633348391.db2.gz SIVDBFYZCGVWQB-OAHLLOKOSA-N 0 0 307.357 2.480 10 30 DEEERN C=CC[C@H](NS(=O)(=O)N1CCC[C@H](C)C1)c1ccncc1 ZINC000734500765 633380113 /nfs/dbraw/zinc/38/01/13/633380113.db2.gz GAVPBFYIXYKQCJ-ZFWWWQNUSA-N 0 0 309.435 2.265 10 30 DEEERN C#CCCNS(=O)(=O)c1cc(C)c(Br)cc1C ZINC000735079700 633462931 /nfs/dbraw/zinc/46/29/31/633462931.db2.gz BYSAFTVTTMMCEW-UHFFFAOYSA-N 0 0 316.220 2.368 10 30 DEEERN CCC[C@H]1NC(=O)N(Cc2cc(Cl)ccc2OCC#N)C1=O ZINC000735302826 633495755 /nfs/dbraw/zinc/49/57/55/633495755.db2.gz HUFFPXZQNXYOOP-GFCCVEGCSA-N 0 0 321.764 2.463 10 30 DEEERN CCNC(=O)CN(CC)Cc1cc(Cl)ccc1OCC#N ZINC000735306165 633500351 /nfs/dbraw/zinc/50/03/51/633500351.db2.gz JXZLMQYYPHJZKJ-UHFFFAOYSA-N 0 0 309.797 2.200 10 30 DEEERN C#Cc1cccc(N(CC(=O)NC)C(=O)C[C@@H](C)n2cccc2)c1 ZINC000736005640 633561220 /nfs/dbraw/zinc/56/12/20/633561220.db2.gz DHLYEKULLILQCZ-OAHLLOKOSA-N 0 0 323.396 2.200 10 30 DEEERN COc1ccc(O)cc1C(=O)NCc1ccc(OCC#N)cc1 ZINC000186509551 635833923 /nfs/dbraw/zinc/83/39/23/635833923.db2.gz JSTVITBHBKCTHX-UHFFFAOYSA-N 0 0 312.325 2.233 10 30 DEEERN Cc1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)c(C)s1 ZINC000178716387 636182683 /nfs/dbraw/zinc/18/26/83/636182683.db2.gz MGOZWLWZJTUCJO-JTQLQIEISA-N 0 0 300.343 2.116 10 30 DEEERN Cc1ccc([C@@H](O)CNC(=O)NCc2ccc(C#N)cc2F)o1 ZINC000741407060 637977132 /nfs/dbraw/zinc/97/71/32/637977132.db2.gz DSFBCVLQKBRQKX-AWEZNQCLSA-N 0 0 317.320 2.132 10 30 DEEERN CC(C)(C)SCCNc1ccc(S(N)(=O)=O)cc1C#N ZINC000742400166 638067955 /nfs/dbraw/zinc/06/79/55/638067955.db2.gz PTOVCZLGLDHONG-UHFFFAOYSA-N 0 0 313.448 2.149 10 30 DEEERN Cc1cccc(F)c1CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000743676491 638167146 /nfs/dbraw/zinc/16/71/46/638167146.db2.gz NYPMRSGBSKJIIJ-AWEZNQCLSA-N 0 0 316.380 2.016 10 30 DEEERN COC[C@@](C)(NC(=O)c1ccccc1OCC#N)C(F)(F)F ZINC000744378989 638215071 /nfs/dbraw/zinc/21/50/71/638215071.db2.gz PHJFIZSZTKNMKB-CYBMUJFWSA-N 0 0 316.279 2.286 10 30 DEEERN CC(=O)N(C)c1cccc(N=Cc2c(CO)cnc(C)c2O)c1 ZINC000745977573 638302677 /nfs/dbraw/zinc/30/26/77/638302677.db2.gz XROZOKVKDRPTLR-UHFFFAOYSA-N 0 0 313.357 2.321 10 30 DEEERN COc1ccc(CNc2ccc(-n3ccc(C)n3)nn2)cc1C#N ZINC000746710775 638371360 /nfs/dbraw/zinc/37/13/60/638371360.db2.gz OOHPSNOOPZHFPI-UHFFFAOYSA-N 0 0 320.356 2.463 10 30 DEEERN COc1ccc(CNC(=O)NCc2scnc2C)cc1C#N ZINC000746720849 638372349 /nfs/dbraw/zinc/37/23/49/638372349.db2.gz CSIMZVUUPXXRMS-UHFFFAOYSA-N 0 0 316.386 2.331 10 30 DEEERN COc1ccc(CNC(=O)NC[C@H](OC)C(C)C)cc1C#N ZINC000746748573 638374201 /nfs/dbraw/zinc/37/42/01/638374201.db2.gz SPKMDEQSCYXBMN-HNNXBMFYSA-N 0 0 305.378 2.037 10 30 DEEERN CC(=O)N1CCC[C@H]1C(=O)OCC#Cc1ccccc1Cl ZINC000746977131 638394725 /nfs/dbraw/zinc/39/47/25/638394725.db2.gz IVXNDDVOISKRBT-HNNXBMFYSA-N 0 0 305.761 2.246 10 30 DEEERN COc1ccc(CNC(=O)NCCCOCC2CC2)cc1C#N ZINC000747391754 638433090 /nfs/dbraw/zinc/43/30/90/638433090.db2.gz UFUICCWZWTZTEP-UHFFFAOYSA-N 0 0 317.389 2.183 10 30 DEEERN COc1ccc(CNC(=O)N(C)CCc2ccncc2)cc1C#N ZINC000747430435 638436633 /nfs/dbraw/zinc/43/66/33/638436633.db2.gz LCMVZDUBJNMYNY-UHFFFAOYSA-N 0 0 324.384 2.346 10 30 DEEERN N#C[C@@H](OC(=O)CCC(=O)N1CCOc2ccccc21)C1CC1 ZINC000747785688 638476985 /nfs/dbraw/zinc/47/69/85/638476985.db2.gz DOUXOFDIWJAEIP-OAHLLOKOSA-N 0 0 314.341 2.038 10 30 DEEERN O=C1[C@@H](/N=C/c2cc(Cl)ccc2O)CCN1C1CCOCC1 ZINC000747863415 638485399 /nfs/dbraw/zinc/48/53/99/638485399.db2.gz BKYCPSIWENIFJD-XKYMITNMSA-N 0 0 322.792 2.244 10 30 DEEERN N#Cc1cccc(CC(=O)OCC(=O)Nc2cccc(C#N)c2)c1 ZINC000750429075 638743858 /nfs/dbraw/zinc/74/38/58/638743858.db2.gz AVHHJIPLZQNJMG-UHFFFAOYSA-N 0 0 319.320 2.154 10 30 DEEERN C[C@H](OC(=O)Cc1cccc(C#N)c1)C(=O)NC1CCCC1 ZINC000750431495 638744144 /nfs/dbraw/zinc/74/41/44/638744144.db2.gz WFNQDUQWXTWUPT-LBPRGKRZSA-N 0 0 300.358 2.091 10 30 DEEERN C[C@H](OC(=O)Cc1cccc(C#N)c1)C(=O)N1CCCCCC1 ZINC000750433766 638745147 /nfs/dbraw/zinc/74/51/47/638745147.db2.gz HJLCKSCMHHLENN-AWEZNQCLSA-N 0 0 314.385 2.435 10 30 DEEERN C#CCN(CC#C)CC(=O)Nc1ccc(Br)c(C)c1 ZINC000752074874 639153527 /nfs/dbraw/zinc/15/35/27/639153527.db2.gz DZTJXRZGQFQRCO-UHFFFAOYSA-N 0 0 319.202 2.264 10 30 DEEERN COc1ccc(CNC(=O)N2CCC[C@H]2C[C@H](C)O)cc1C#N ZINC000752684628 639208024 /nfs/dbraw/zinc/20/80/24/639208024.db2.gz MAEZMGNZUSQEHF-WFASDCNBSA-N 0 0 317.389 2.012 10 30 DEEERN C#CCCCS(=O)(=O)NCCc1cn(C)c2cc(C)ccc12 ZINC000805072665 639487610 /nfs/dbraw/zinc/48/76/10/639487610.db2.gz SXKBRJCQFKSBOH-UHFFFAOYSA-N 0 0 318.442 2.362 10 30 DEEERN C#CCNC(=O)[C@@H](C)OC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000023292167 639608040 /nfs/dbraw/zinc/60/80/40/639608040.db2.gz QCAZWRKDMHDLNI-CYBMUJFWSA-N 0 0 317.385 2.044 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccc2c(c1)N(C)CC2)C(C)(C)C ZINC000805146418 639839241 /nfs/dbraw/zinc/83/92/41/639839241.db2.gz FRTUTLWOHUGPRA-OAHLLOKOSA-N 0 0 306.431 2.005 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1cc2c(cc1C)OCO2)C(C)(C)C ZINC000805146888 639840295 /nfs/dbraw/zinc/84/02/95/639840295.db2.gz PCSVOLXEFCGUIZ-AWEZNQCLSA-N 0 0 309.387 2.050 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1C)C(C)(C)C ZINC000805149165 639849528 /nfs/dbraw/zinc/84/95/28/639849528.db2.gz XXQDYZKPODZTFG-AWEZNQCLSA-N 0 0 323.414 2.108 10 30 DEEERN C#CCCCNC(=O)NCc1cc(Br)ccc1O ZINC000805160235 639915382 /nfs/dbraw/zinc/91/53/82/639915382.db2.gz ZJSBUNGLLWZUSR-UHFFFAOYSA-N 0 0 311.179 2.367 10 30 DEEERN Cc1ccnc(C2CCN(C(=O)c3cnccc3C#N)CC2)n1 ZINC000805198541 640162241 /nfs/dbraw/zinc/16/22/41/640162241.db2.gz QTRIMEKTZNKQEJ-UHFFFAOYSA-N 0 0 307.357 2.072 10 30 DEEERN N#Cc1cnn(Cc2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000310999815 640719457 /nfs/dbraw/zinc/71/94/57/640719457.db2.gz XKXTXOWZRLXJJJ-UHFFFAOYSA-N 0 0 307.107 2.474 10 30 DEEERN CC(C)[C@H](OC(=O)CSc1ccc(C#N)cc1)C(=O)N(C)C ZINC000729715045 640832886 /nfs/dbraw/zinc/83/28/86/640832886.db2.gz ZYLSKWZXTFWPAB-HNNXBMFYSA-N 0 0 320.414 2.306 10 30 DEEERN C#CC[C@H](OC(=O)[C@H]1CC(=O)N(CC(C)C)C1)c1ccccn1 ZINC000729799101 640842523 /nfs/dbraw/zinc/84/25/23/640842523.db2.gz ZGBMCPVOUBRAJZ-HOCLYGCPSA-N 0 0 314.385 2.194 10 30 DEEERN N#CCSCCCOC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000805495482 641831415 /nfs/dbraw/zinc/83/14/15/641831415.db2.gz NAUPIWBIRAESLC-UHFFFAOYSA-N 0 0 316.386 2.135 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCOC(C)(C)C1 ZINC000805781095 643246208 /nfs/dbraw/zinc/24/62/08/643246208.db2.gz UNZLTKVCMMZAMM-INIZCTEOSA-N 0 0 300.402 2.441 10 30 DEEERN C=CCS(=O)(=O)CCN[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000800488778 645280397 /nfs/dbraw/zinc/28/03/97/645280397.db2.gz OUSCVZPLNBDRMS-ZDUSSCGKSA-N 0 0 311.451 2.250 10 30 DEEERN N#Cc1ccc(-c2ccn(CN3CCO[C@H](C(F)F)C3)n2)cc1 ZINC000800852693 645311905 /nfs/dbraw/zinc/31/19/05/645311905.db2.gz MBHPYZFMEZDTQT-HNNXBMFYSA-N 0 0 318.327 2.345 10 30 DEEERN COc1ccc(C#N)cc1NC(=O)N1CCO[C@@H](C(F)F)C1 ZINC000801621683 645424091 /nfs/dbraw/zinc/42/40/91/645424091.db2.gz ILJWYIJRDQJMFJ-GFCCVEGCSA-N 0 0 311.288 2.065 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N[C@@H]1CSC1(C)C ZINC000801753728 645437124 /nfs/dbraw/zinc/43/71/24/645437124.db2.gz PWCUIGRCEHUUMK-CQSZACIVSA-N 0 0 304.415 2.392 10 30 DEEERN C#CC[C@@H](OC(=O)c1cnc(C(=O)OC(C)(C)C)cn1)C1CC1 ZINC000802104866 645480223 /nfs/dbraw/zinc/48/02/23/645480223.db2.gz KXUANANFULJGGN-CQSZACIVSA-N 0 0 316.357 2.391 10 30 DEEERN C=CCNC(=O)[C@@H](C)OC(=O)c1ncsc1C(F)(F)F ZINC000802251122 645509614 /nfs/dbraw/zinc/50/96/14/645509614.db2.gz SUTLKENFFHVCNG-ZCFIWIBFSA-N 0 0 308.281 2.009 10 30 DEEERN CC(N=Nc1nc2[nH][nH]cc-2c(=O)n1)[C@@H]1C[C@H]1c1ccccc1 ZINC000802710971 645545048 /nfs/dbraw/zinc/54/50/48/645545048.db2.gz GFKYDPIRLYNXHN-RYUDHWBXSA-N 0 0 308.345 2.024 10 30 DEEERN C=C[C@@](C)(CC)COC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000802796145 645560381 /nfs/dbraw/zinc/56/03/81/645560381.db2.gz DXWLNJKGTGYVOG-DOMZBBRYSA-N 0 0 318.435 2.114 10 30 DEEERN C#C[C@H](C)Oc1ccc(COC(=O)COC[C@@H]2CCCO2)cc1 ZINC000802809746 645561542 /nfs/dbraw/zinc/56/15/42/645561542.db2.gz PMMIDOLZIBMLEF-YOEHRIQHSA-N 0 0 318.369 2.326 10 30 DEEERN N#CC1(COC(=O)[C@@H]2CCCN2c2ncnc3ccccc32)CC1 ZINC000802993141 645593564 /nfs/dbraw/zinc/59/35/64/645593564.db2.gz ZFEWTMNAWSTXGO-HNNXBMFYSA-N 0 0 322.368 2.446 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cnc(OCC)cn1 ZINC000803525421 645668402 /nfs/dbraw/zinc/66/84/02/645668402.db2.gz AXMCFKVNJXWBSR-OAHLLOKOSA-N 0 0 309.369 2.240 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](Cc1ccccc1)C(=O)OCC ZINC000803699776 645682600 /nfs/dbraw/zinc/68/26/00/645682600.db2.gz PNPHAACYMYLOTL-QGZVFWFLSA-N 0 0 312.365 2.367 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000803700686 645682637 /nfs/dbraw/zinc/68/26/37/645682637.db2.gz ZAUQODDOVOKZSO-LJQANCHMSA-N 0 0 323.392 2.460 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000803701341 645682691 /nfs/dbraw/zinc/68/26/91/645682691.db2.gz PZKDHFMXZKQYEF-AWEZNQCLSA-N 0 0 309.365 2.170 10 30 DEEERN C=CCOc1ccc(CNC(=O)[C@H]2CCCC23OCCO3)cc1 ZINC000804140828 645731209 /nfs/dbraw/zinc/73/12/09/645731209.db2.gz WVSCLRKORLVAJG-MRXNPFEDSA-N 0 0 317.385 2.411 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cnc2[nH]cnc2c1 ZINC000804455512 645773991 /nfs/dbraw/zinc/77/39/91/645773991.db2.gz IAYBVNLWQPCKDN-HNNXBMFYSA-N 0 0 304.353 2.322 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCO[C@H]1CC ZINC000804462522 645774969 /nfs/dbraw/zinc/77/49/69/645774969.db2.gz CARAUTLVRWVJCA-CVEARBPZSA-N 0 0 307.390 2.492 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)C[C@@H]1CN(CC)c2ccccc2O1 ZINC000806324368 645818903 /nfs/dbraw/zinc/81/89/03/645818903.db2.gz GHJJVDFGWMWLEH-QGZVFWFLSA-N 0 0 324.424 2.395 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2CCCC2(F)F)c1 ZINC000806468075 645834890 /nfs/dbraw/zinc/83/48/90/645834890.db2.gz SIHFBWXSVYQPFG-ZDUSSCGKSA-N 0 0 321.327 2.093 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cc(OC)c(Br)cn1 ZINC000807175437 645919436 /nfs/dbraw/zinc/91/94/36/645919436.db2.gz WVIDAZMGWKYQAB-UHFFFAOYSA-N 0 0 321.174 2.454 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@](C)(O)c1cccc(Cl)c1 ZINC000807254184 645931001 /nfs/dbraw/zinc/93/10/01/645931001.db2.gz VDOSLGBFDSTOSY-QGZVFWFLSA-N 0 0 303.789 2.327 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1 ZINC000807450155 645952577 /nfs/dbraw/zinc/95/25/77/645952577.db2.gz VMKWOBMVZMJYET-UHFFFAOYSA-N 0 0 307.353 2.129 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@@H]1CCCOC1 ZINC000807468539 645954149 /nfs/dbraw/zinc/95/41/49/645954149.db2.gz WYFRURUBHFXCPZ-IAGOWNOFSA-N 0 0 300.402 2.441 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@](C)(CO)CCC ZINC000807470956 645955350 /nfs/dbraw/zinc/95/53/50/645955350.db2.gz SAAUTMMEHKMWBU-SJLPKXTDSA-N 0 0 302.418 2.471 10 30 DEEERN C#C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(C)(C)C ZINC000807882260 646004559 /nfs/dbraw/zinc/00/45/59/646004559.db2.gz YLOLJVRARNXLGQ-JKSUJKDBSA-N 0 0 312.413 2.455 10 30 DEEERN C=CCS(=O)(=O)NCCCn1ncc2ccc(Cl)cc21 ZINC000223422414 646494722 /nfs/dbraw/zinc/49/47/22/646494722.db2.gz RKYREOUGXNTZKK-UHFFFAOYSA-N 0 0 313.810 2.185 10 30 DEEERN C=C(C)CS(=O)(=O)NCCCn1ncc2c1cccc2C ZINC000223441923 646494788 /nfs/dbraw/zinc/49/47/88/646494788.db2.gz XXHOOSVANKTLQY-UHFFFAOYSA-N 0 0 307.419 2.230 10 30 DEEERN CC(C)=CC(=O)NCc1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000173261965 646763711 /nfs/dbraw/zinc/76/37/11/646763711.db2.gz PRYIVRVVGFFWLF-INIZCTEOSA-N 0 0 311.385 2.301 10 30 DEEERN C#C[C@H](C)OC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000174453127 646810194 /nfs/dbraw/zinc/81/01/94/646810194.db2.gz BLUUELSDAOZXRT-RYUDHWBXSA-N 0 0 303.383 2.326 10 30 DEEERN C#CCN(CC#C)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000174523655 646813206 /nfs/dbraw/zinc/81/32/06/646813206.db2.gz DGMYYZRBDMXJNW-YOEHRIQHSA-N 0 0 305.805 2.347 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000730280529 646887012 /nfs/dbraw/zinc/88/70/12/646887012.db2.gz VTBWFSFNAFHEEY-NJAFHUGGSA-N 0 0 312.413 2.073 10 30 DEEERN C=CCN(C(=O)N[C@@H]1CCN(c2ccccc2)C1=O)C(C)C ZINC000731762599 647506981 /nfs/dbraw/zinc/50/69/81/647506981.db2.gz FZALUTCWQLYPNF-OAHLLOKOSA-N 0 0 301.390 2.398 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000732650483 647635880 /nfs/dbraw/zinc/63/58/80/647635880.db2.gz SZSPXLHHKSWSOD-INIZCTEOSA-N 0 0 311.385 2.064 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cc3ccsc3[nH]2)CCN1C1CC1 ZINC000732664193 647637404 /nfs/dbraw/zinc/63/74/04/647637404.db2.gz FNPAWMKYVJIAFN-LBPRGKRZSA-N 0 0 300.387 2.042 10 30 DEEERN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CSC(=O)N1 ZINC000154927300 648134910 /nfs/dbraw/zinc/13/49/10/648134910.db2.gz RLWACMCAZZIQKM-CYBMUJFWSA-N 0 0 303.387 2.122 10 30 DEEERN N#CC1(c2ccc(C(=O)OCCN3CCSCC3)cc2)CC1 ZINC000180079318 648454709 /nfs/dbraw/zinc/45/47/09/648454709.db2.gz NPRADKTVQIXFKR-UHFFFAOYSA-N 0 0 316.426 2.447 10 30 DEEERN CCc1nnc(COC(=O)c2ccc(C3(C#N)CC3)cc2)n1C ZINC000182521572 648931370 /nfs/dbraw/zinc/93/13/70/648931370.db2.gz AUWOOMWBFIGZCR-UHFFFAOYSA-N 0 0 310.357 2.290 10 30 DEEERN C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)N1CCC[C@H](C)C1 ZINC000183133865 649042028 /nfs/dbraw/zinc/04/20/28/649042028.db2.gz AODQCKPMLJZPEU-STQMWFEESA-N 0 0 323.418 2.366 10 30 DEEERN C#CC[C@H](OC(=O)c1ccc2nnn(C)c2c1)c1ccccn1 ZINC000183584243 649111682 /nfs/dbraw/zinc/11/16/82/649111682.db2.gz RKVSRMOZZVTXHX-INIZCTEOSA-N 0 0 306.325 2.285 10 30 DEEERN N#CC1(COC(=O)c2ccn(-c3ccccc3)n2)CCOCC1 ZINC000183940864 649204484 /nfs/dbraw/zinc/20/44/84/649204484.db2.gz LJUZOWOLLNIWPS-UHFFFAOYSA-N 0 0 311.341 2.349 10 30 DEEERN C#CCC(C)(C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000185072703 649428797 /nfs/dbraw/zinc/42/87/97/649428797.db2.gz OIRUJYYWWFHROI-LBPRGKRZSA-N 0 0 307.415 2.317 10 30 DEEERN CC(=NNCCS(C)(=O)=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000733203888 649452506 /nfs/dbraw/zinc/45/25/06/649452506.db2.gz CSNFCOHLCBBAPA-STQMWFEESA-N 0 0 314.838 2.454 10 30 DEEERN C#CCCNC(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC000733247917 649463799 /nfs/dbraw/zinc/46/37/99/649463799.db2.gz SPZRXUHNQLENSN-UHFFFAOYSA-N 0 0 301.321 2.338 10 30 DEEERN C#CCCNC(=O)NCCc1ccc(Br)cc1F ZINC000733347645 649549267 /nfs/dbraw/zinc/54/92/67/649549267.db2.gz GEECEBFWJCHITP-UHFFFAOYSA-N 0 0 313.170 2.453 10 30 DEEERN C#CCCNC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000733355919 649553644 /nfs/dbraw/zinc/55/36/44/649553644.db2.gz GFULHKGJQCFQAU-HNNXBMFYSA-N 0 0 302.374 2.392 10 30 DEEERN C#CCOc1cccc(COC(=O)[C@H]2CCCN(C(C)=O)C2)c1 ZINC000107021489 651408271 /nfs/dbraw/zinc/40/82/71/651408271.db2.gz PSWJAIDHWWHWOK-INIZCTEOSA-N 0 0 315.369 2.000 10 30 DEEERN C#CCOc1cccc(NC(=O)NCc2cccnc2N(C)C)c1 ZINC000108516799 651660510 /nfs/dbraw/zinc/66/05/10/651660510.db2.gz SJAWLQRKZBFPEJ-UHFFFAOYSA-N 0 0 324.384 2.481 10 30 DEEERN C=CCOC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1 ZINC000113654508 651777412 /nfs/dbraw/zinc/77/74/12/651777412.db2.gz SEOGUAOBSXBJAF-MRXNPFEDSA-N 0 0 310.353 2.152 10 30 DEEERN C#CC[C@H](OC(=O)CSc1nnnn1C1CCCC1)C1CC1 ZINC000079206124 683970496 /nfs/dbraw/zinc/97/04/96/683970496.db2.gz YXAOJMHRFCUSQC-ZDUSSCGKSA-N 0 0 320.418 2.225 10 30 DEEERN C=CCOc1ccc(OC(=O)[C@@H](C)Sc2nncn2C)cc1 ZINC000081323838 683989737 /nfs/dbraw/zinc/98/97/37/683989737.db2.gz YUFVGWWSVZDRBS-LLVKDONJSA-N 0 0 319.386 2.466 10 30 DEEERN C#CCNc1cc(I)cc(C(=O)OC)c1 ZINC000089675871 684024927 /nfs/dbraw/zinc/02/49/27/684024927.db2.gz ZIBLHXXTBSDZNG-UHFFFAOYSA-N 0 0 315.110 2.123 10 30 DEEERN CC(C)CC[C@](C)(O)CNC(=O)Cc1cccc(OCC#N)c1 ZINC000089841059 684027088 /nfs/dbraw/zinc/02/70/88/684027088.db2.gz AWRZGLDVPXMJDV-SFHVURJKSA-N 0 0 318.417 2.435 10 30 DEEERN C[C@@H](C#N)Oc1ccc(CN2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000093611752 684050170 /nfs/dbraw/zinc/05/01/70/684050170.db2.gz BWNRRXNWBMWGNX-SMDDNHRTSA-N 0 0 314.307 2.477 10 30 DEEERN C#CCN(CC#C)C(=O)c1ccc(-n2cnc3ccccc32)nc1 ZINC000119296488 684079540 /nfs/dbraw/zinc/07/95/40/684079540.db2.gz AWAMNYYVFZXPTD-UHFFFAOYSA-N 0 0 314.348 2.129 10 30 DEEERN C#C[C@@H](Cc1ccccc1)OC(=O)CCCC(=O)NCCC ZINC000120554688 684097622 /nfs/dbraw/zinc/09/76/22/684097622.db2.gz NBQMVVBSUGGVFB-INIZCTEOSA-N 0 0 301.386 2.471 10 30 DEEERN C[C@H](C#N)NC(=O)c1sccc1NC(=O)c1ccncc1 ZINC000125285715 684143966 /nfs/dbraw/zinc/14/39/66/684143966.db2.gz BYRJJMYRYYYUEO-SECBINFHSA-N 0 0 300.343 2.037 10 30 DEEERN C#CC[C@H](OC(=O)CN(C)[C@@H]1CCSC1)c1ccccn1 ZINC000125478484 684145523 /nfs/dbraw/zinc/14/55/23/684145523.db2.gz JGVVADMUHPDPMN-HIFRSBDPSA-N 0 0 304.415 2.127 10 30 DEEERN C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1Cl)C(C)(C)C#N ZINC000130572696 684190307 /nfs/dbraw/zinc/19/03/07/684190307.db2.gz YTSFWXFILZCTDF-VIFPVBQESA-N 0 0 319.752 2.411 10 30 DEEERN C[C@@H](OC(=O)c1cc(S(C)(=O)=O)cs1)C(C)(C)C#N ZINC000133074414 684216255 /nfs/dbraw/zinc/21/62/55/684216255.db2.gz ZVWHUDFTALLQMB-MRVPVSSYSA-N 0 0 301.389 2.247 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)c2c(C)[nH]nc2C(C)C)c1 ZINC000136971065 684242738 /nfs/dbraw/zinc/24/27/38/684242738.db2.gz YIPOFJWEEVISGO-UHFFFAOYSA-N 0 0 324.384 2.191 10 30 DEEERN C#CCOc1ccccc1NC(=O)NC[C@@H](O)Cc1ccccc1 ZINC000188119031 684350372 /nfs/dbraw/zinc/35/03/72/684350372.db2.gz SQQAAABDTNVBRD-INIZCTEOSA-N 0 0 324.380 2.424 10 30 DEEERN N#C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000190548849 684408360 /nfs/dbraw/zinc/40/83/60/684408360.db2.gz UZFPIZCYYRFQRZ-VIFPVBQESA-N 0 0 324.134 2.389 10 30 DEEERN N#Cc1ccc(CC(=O)Nc2cc(Cl)ccc2C(N)=O)cc1 ZINC000194735003 685076806 /nfs/dbraw/zinc/07/68/06/685076806.db2.gz ZVPUSMSDNXJGGZ-UHFFFAOYSA-N 0 0 313.744 2.492 10 30 DEEERN Cn1cc(C#N)cc1C(=O)O[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000245571478 685114523 /nfs/dbraw/zinc/11/45/23/685114523.db2.gz ZEESKWUGHZOIOZ-NWANDNLSSA-N 0 0 300.358 2.401 10 30 DEEERN Cc1noc([C@H]2OCC[C@H]2CNc2ncc(C#N)cc2Cl)n1 ZINC000886095210 692002457 /nfs/dbraw/zinc/00/24/57/692002457.db2.gz NVGIKXKLKGXRBI-JQWIXIFHSA-N 0 0 319.752 2.488 10 30 DEEERN C#C[C@H](C)NS(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000588596956 777567850 /nfs/dbraw/zinc/56/78/50/777567850.db2.gz MIZLBAFQKTYAOT-QROTZFDESA-N 0 0 314.204 2.361 10 30 DEEERN O=C(NCCOC(F)(F)C(F)(F)F)OCC(F)(F)F ZINC000720311058 777952052 /nfs/dbraw/zinc/95/20/52/777952052.db2.gz WTOHRZDKROQLKK-UHFFFAOYSA-N 0 0 305.121 2.447 10 30 DEEERN C=C(COC(=O)[C@H](O)[C@H](C)c1ccc(C)cc1)C(=O)OCC ZINC000745754432 784751687 /nfs/dbraw/zinc/75/16/87/784751687.db2.gz VXUKOQMCRZMBBQ-UKRRQHHQSA-N 0 0 306.358 2.122 10 30 DEEERN N#Cc1cc(Br)cn(C[C@H]2CC[C@H](C3CC3)O2)c1=O ZINC000715429472 792436367 /nfs/dbraw/zinc/43/63/67/792436367.db2.gz WFAUEEUHNIODKL-CHWSQXEVSA-N 0 0 323.190 2.440 10 30 DEEERN C#CC[C@H](COC)NC(=O)Cc1ccc(Br)cc1 ZINC000716850187 793010028 /nfs/dbraw/zinc/01/00/28/793010028.db2.gz XPXYMCWRZAUFTD-CYBMUJFWSA-N 0 0 310.191 2.146 10 30 DEEERN CNc1ncc(C(=O)OCCCC2(C#N)CCOCC2)s1 ZINC000800182525 799333090 /nfs/dbraw/zinc/33/30/90/799333090.db2.gz GMVSANXGPNNNLI-UHFFFAOYSA-N 0 0 309.391 2.442 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)Cc1cccc(OC)n1 ZINC000185734054 802023810 /nfs/dbraw/zinc/02/38/10/802023810.db2.gz PCNHOVFGFUUGGB-UHFFFAOYSA-N 0 0 314.316 2.423 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000316938976 802529273 /nfs/dbraw/zinc/52/92/73/802529273.db2.gz XZBPFZORNFZZPB-AWEZNQCLSA-N 0 0 323.776 2.221 10 30 DEEERN C#CCC[C@H](O)CNS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000717898791 1081741796 /nfs/dbraw/zinc/74/17/96/1081741796.db2.gz KTQOBIOSRCQNNF-CMUBDUJZSA-N 0 0 313.806 2.004 10 30 DEEERN N#Cc1c(F)cccc1S(=O)(=O)NCC[C@H]1CC1(F)F ZINC000706490123 1086639642 /nfs/dbraw/zinc/63/96/42/1086639642.db2.gz VYWKEOWDEFLBAK-QMMMGPOBSA-N 0 0 304.293 2.021 10 30 DEEERN C#CC1(O)CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000708112213 1086676722 /nfs/dbraw/zinc/67/67/22/1086676722.db2.gz BGMWLUMCZJCDBJ-UHFFFAOYSA-N 0 0 308.175 2.049 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)N2CCC[C@@H](CF)C2)c1 ZINC000711447240 1087114634 /nfs/dbraw/zinc/11/46/34/1087114634.db2.gz JAFVCRSNLOMMIY-JTQLQIEISA-N 0 0 300.330 2.068 10 30 DEEERN C#C[C@@H](CO)NC(=O)c1cc(Cl)c(C)cc1Br ZINC000718123607 1088222397 /nfs/dbraw/zinc/22/23/97/1088222397.db2.gz SAIUXLLIPUMKTC-QMMMGPOBSA-N 0 0 316.582 2.135 10 30 DEEERN N#Cc1ccc(C(F)(F)F)nc1N1CC[C@@H](C2OCCO2)C1 ZINC000718988592 1088748770 /nfs/dbraw/zinc/74/87/70/1088748770.db2.gz NDTACKLCFLTQMG-SNVBAGLBSA-N 0 0 313.279 2.171 10 30 DEEERN CCN(CC(F)(F)F)S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720020489 1089426468 /nfs/dbraw/zinc/42/64/68/1089426468.db2.gz DGKLNUIHGMPIBS-UHFFFAOYSA-N 0 0 310.272 2.270 10 30 DEEERN N#Cc1ccc(NC(=O)[C@@H]2NC(=O)O[C@H]2c2ccccc2)cc1 ZINC000074695065 185009996 /nfs/dbraw/zinc/00/99/96/185009996.db2.gz YXEHRBZENOBNKQ-CABCVRRESA-N 0 0 307.309 2.346 10 30 DEEERN C=CCCCN(C)C(=O)c1cccc(S(=O)(=O)NCC=C)c1 ZINC000076650840 185028569 /nfs/dbraw/zinc/02/85/69/185028569.db2.gz XTBWEUYVMVXEPU-UHFFFAOYSA-N 0 0 322.430 2.189 10 30 DEEERN C=CCn1c(N2CCO[C@H](CCF)C2)nnc1[C@]1(C)CCCO1 ZINC000624827572 365562734 /nfs/dbraw/zinc/56/27/34/365562734.db2.gz IYUCNILZUROBLV-CJNGLKHVSA-N 0 0 324.400 2.055 10 30 DEEERN C=CCn1c(C2CCCC2)nnc1N1CCO[C@@](C)(COC)C1 ZINC000624833691 365565351 /nfs/dbraw/zinc/56/53/51/365565351.db2.gz NUNNVGFFJIQDDD-QGZVFWFLSA-N 0 0 320.437 2.363 10 30 DEEERN C[C@@]1(C#N)CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000612153689 361758683 /nfs/dbraw/zinc/75/86/83/361758683.db2.gz MRFDMVAEWLKDDL-AWEZNQCLSA-N 0 0 323.374 2.050 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(OCCF)c1 ZINC000612372813 361807863 /nfs/dbraw/zinc/80/78/63/361807863.db2.gz RJRKSTOLQMNDPD-HNNXBMFYSA-N 0 0 308.353 2.444 10 30 DEEERN C=CCN(CC)S(=O)(=O)c1cc(Cl)cc(CO)c1OC ZINC000162528335 197572142 /nfs/dbraw/zinc/57/21/42/197572142.db2.gz DGGLCKJDOWVHMD-UHFFFAOYSA-N 0 0 319.810 2.038 10 30 DEEERN C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N(C[C@H](C)O)C1CC1 ZINC000624987456 365607642 /nfs/dbraw/zinc/60/76/42/365607642.db2.gz OSFCXUKSBKQEFL-YDHLFZDLSA-N 0 0 320.437 2.444 10 30 DEEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC000624999452 365610513 /nfs/dbraw/zinc/61/05/13/365610513.db2.gz YSNVIHNMEPPDKR-AWEZNQCLSA-N 0 0 320.347 2.480 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000625028598 365621688 /nfs/dbraw/zinc/62/16/88/365621688.db2.gz VNWHCJMRKZGIAK-UKRRQHHQSA-N 0 0 305.422 2.138 10 30 DEEERN C=CCN(CC=C)c1nnc(-c2cn[nH]c2)n1C[C@H]1CCCO1 ZINC000625092089 365640118 /nfs/dbraw/zinc/64/01/18/365640118.db2.gz CVYMIBKDEMMPGD-CQSZACIVSA-N 0 0 314.393 2.026 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H](OC)C1(CC)CC ZINC000612526350 361852220 /nfs/dbraw/zinc/85/22/20/361852220.db2.gz MPYISKVCCBDVFI-ZNMIVQPWSA-N 0 0 310.438 2.167 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H](OC)C1(CC)CC ZINC000612526348 361852559 /nfs/dbraw/zinc/85/25/59/361852559.db2.gz MPYISKVCCBDVFI-RRFJBIMHSA-N 0 0 310.438 2.167 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1nc(C2CC2)cs1 ZINC000612525310 361852579 /nfs/dbraw/zinc/85/25/79/361852579.db2.gz UHPUTUHGRPJYNS-LBPRGKRZSA-N 0 0 307.419 2.108 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1nc(C(C)C)cs1 ZINC000612491790 361841484 /nfs/dbraw/zinc/84/14/84/361841484.db2.gz AXVYPEGRTPTISG-GFCCVEGCSA-N 0 0 309.435 2.354 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(CC)CCc1nccs1 ZINC000612939584 361956052 /nfs/dbraw/zinc/95/60/52/361956052.db2.gz WMLBZNCVLCSPPN-ZDUSSCGKSA-N 0 0 309.435 2.005 10 30 DEEERN N#Cc1ncccc1CS(=O)(=O)c1cc(Cl)ccc1N ZINC000165263170 197673104 /nfs/dbraw/zinc/67/31/04/197673104.db2.gz XYYWZAUUDLWGMB-UHFFFAOYSA-N 0 0 307.762 2.163 10 30 DEEERN COC1=CC(=O)C(OC)[C@H](O)[C@H]1C(=O)C=Cc1ccccc1 ZINC000087492968 185226663 /nfs/dbraw/zinc/22/66/63/185226663.db2.gz VADQFSASSSGAFZ-OFTJQPPSSA-N 0 0 302.326 2.206 10 30 DEEERN COc1ccc(C#CCO)c(CN(C)Cc2cscn2)c1 ZINC000087787076 185231703 /nfs/dbraw/zinc/23/17/03/185231703.db2.gz QJROXFYSNXPJQA-UHFFFAOYSA-N 0 0 302.399 2.128 10 30 DEEERN CC[C@@H](C#N)S(=O)(=O)NCc1ccccc1C(F)(F)F ZINC000088485533 185253223 /nfs/dbraw/zinc/25/32/23/185253223.db2.gz CQENJZCCAUFNCV-JTQLQIEISA-N 0 0 306.309 2.427 10 30 DEEERN CC[C@H](C#N)NC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000123680187 529583711 /nfs/dbraw/zinc/58/37/11/529583711.db2.gz KJQYRRQXNLLSEU-HIFRSBDPSA-N 0 0 301.390 2.168 10 30 DEEERN Cc1c(C#CCCO)cccc1C(=O)N(C)[C@@H]1CCSC1 ZINC000088443017 185251016 /nfs/dbraw/zinc/25/10/16/185251016.db2.gz INGWEGFZSVFBEF-OAHLLOKOSA-N 0 0 303.427 2.306 10 30 DEEERN Cc1c(C#CCO)cccc1C(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000088443533 185251110 /nfs/dbraw/zinc/25/11/10/185251110.db2.gz SPKMMJOKWVZXJU-BETUJISGSA-N 0 0 303.427 2.305 10 30 DEEERN CCc1cnc(N2CCN(C(=O)C3(C#N)CCCC3)CC2)s1 ZINC000408232028 529655031 /nfs/dbraw/zinc/65/50/31/529655031.db2.gz LGXVHKMFUKOKQX-UHFFFAOYSA-N 0 0 318.446 2.438 10 30 DEEERN N#Cc1ccc(N[C@@H]2C=CS(=O)(=O)C2)cc1C(F)(F)F ZINC000088856900 185267102 /nfs/dbraw/zinc/26/71/02/185267102.db2.gz PZBOBMPKXFZLPJ-SNVBAGLBSA-N 0 0 302.277 2.300 10 30 DEEERN C=CCN(CC=C)S(=O)(=O)c1cc(CO)ccc1Cl ZINC000088873441 185267747 /nfs/dbraw/zinc/26/77/47/185267747.db2.gz NDGOMZBDTAKUJW-UHFFFAOYSA-N 0 0 301.795 2.195 10 30 DEEERN C=C(C)CN(CC)S(=O)(=O)c1cc(CO)ccc1Cl ZINC000088877323 185268152 /nfs/dbraw/zinc/26/81/52/185268152.db2.gz YZJCDULGLSFCBF-UHFFFAOYSA-N 0 0 303.811 2.419 10 30 DEEERN C=C(C)CN(CC)S(=O)(=O)c1ccc(OCCCO)cc1 ZINC000088877383 185268155 /nfs/dbraw/zinc/26/81/55/185268155.db2.gz BNIIRBVFIGLFCA-UHFFFAOYSA-N 0 0 313.419 2.035 10 30 DEEERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000613163808 362022669 /nfs/dbraw/zinc/02/26/69/362022669.db2.gz VPDZHFZVDVSPJG-KKUMJFAQSA-N 0 0 301.394 2.058 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)c1ccncc1CC ZINC000613245375 362055054 /nfs/dbraw/zinc/05/50/54/362055054.db2.gz ADLLHTAKQOTQQH-LRDDRELGSA-N 0 0 303.406 2.292 10 30 DEEERN C=C[C@H](O)C(=O)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000613331030 362082799 /nfs/dbraw/zinc/08/27/99/362082799.db2.gz PBASKWLEHQGMRF-PMPSAXMXSA-N 0 0 324.371 2.152 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CC3(C2)CCOCC3)cc1 ZINC000613342886 362085007 /nfs/dbraw/zinc/08/50/07/362085007.db2.gz LLQZFFKCZAIOHE-UHFFFAOYSA-N 0 0 301.386 2.433 10 30 DEEERN C=C(C)[C@H](NC(=O)CCc1cn(C)nn1)c1ccc(F)c(F)c1 ZINC000613610357 362162200 /nfs/dbraw/zinc/16/22/00/362162200.db2.gz OYKAQMNATARTHQ-INIZCTEOSA-N 0 0 320.343 2.460 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)CCOCc2ccccc2)C1 ZINC000625355769 365745279 /nfs/dbraw/zinc/74/52/79/365745279.db2.gz VFELLLZELWAMIK-OAHLLOKOSA-N 0 0 309.431 2.431 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCn2cccc2[C@H]1C ZINC000625361093 365746638 /nfs/dbraw/zinc/74/66/38/365746638.db2.gz HZZXVCROXXROAS-CYBMUJFWSA-N 0 0 303.406 2.110 10 30 DEEERN C=CCCS(=O)(=O)NCCc1cccc2c1OC(F)(F)O2 ZINC000625378895 365753886 /nfs/dbraw/zinc/75/38/86/365753886.db2.gz VRGPJVOJQVWJEM-UHFFFAOYSA-N 0 0 319.329 2.046 10 30 DEEERN C[C@H](C#N)N1CCN(C(=O)[C@H]2CCCc3sccc32)CC1 ZINC000168298205 197720598 /nfs/dbraw/zinc/72/05/98/197720598.db2.gz GRIQNKFGRGVKSW-OCCSQVGLSA-N 0 0 303.431 2.224 10 30 DEEERN CCc1nc(C)c(NC(=O)C(=O)N(C[C@@H](C)C#N)C2CC2)s1 ZINC000441933650 529726591 /nfs/dbraw/zinc/72/65/91/529726591.db2.gz NIKXJBZZXWKJQD-VIFPVBQESA-N 0 0 320.418 2.103 10 30 DEEERN Cc1nn(C)cc1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000187610049 282298555 /nfs/dbraw/zinc/29/85/55/282298555.db2.gz WDGFCYOECHHRJB-OAHLLOKOSA-N 0 0 309.373 2.208 10 30 DEEERN COc1ccc(C(=O)Nc2c(C#N)cnn2-c2ccccn2)cc1 ZINC000170525863 197778647 /nfs/dbraw/zinc/77/86/47/197778647.db2.gz BDSWDTDFGXEKFR-UHFFFAOYSA-N 0 0 319.324 2.400 10 30 DEEERN Cc1cc(C)cc(N2CC[C@@H](C(=O)N[C@H](C#N)C3CC3)C2=O)c1 ZINC000108834476 185535661 /nfs/dbraw/zinc/53/56/61/185535661.db2.gz BHCJYOYBHIMYLH-JKSUJKDBSA-N 0 0 311.385 2.075 10 30 DEEERN CC(=O)N(C)c1cccc(NC(=O)N2CC[C@@](F)(C#N)C2)c1 ZINC000615538148 362632417 /nfs/dbraw/zinc/63/24/17/362632417.db2.gz FAAPLIRFTJPORI-OAHLLOKOSA-N 0 0 304.325 2.139 10 30 DEEERN N#Cc1c(Cl)n([C@@H]2CCS(=O)(=O)C2)nc1-c1ccccc1 ZINC000111467247 185607388 /nfs/dbraw/zinc/60/73/88/185607388.db2.gz ICRMVWLLPSZTTN-LLVKDONJSA-N 0 0 321.789 2.435 10 30 DEEERN COC(=O)c1sccc1NC(=O)c1sccc1C#CCO ZINC000111532170 185611085 /nfs/dbraw/zinc/61/10/85/185611085.db2.gz IREFCNALBUPHLY-UHFFFAOYSA-N 0 0 321.379 2.192 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCC(CCOC)CC1 ZINC000625699202 365875241 /nfs/dbraw/zinc/87/52/41/365875241.db2.gz MWDUVHCZDKUEQR-UHFFFAOYSA-N 0 0 310.438 2.124 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1COC[C@@H]1c1ccccc1 ZINC000616409026 362848928 /nfs/dbraw/zinc/84/89/28/362848928.db2.gz GUQQLVKRFNRQHE-HZMVEIRTSA-N 0 0 301.386 2.124 10 30 DEEERN C[C@@H]1OCC[C@H]1N(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000126611035 185878055 /nfs/dbraw/zinc/87/80/55/185878055.db2.gz VRUDEGWQOMJTAW-TVQRCGJNSA-N 0 0 314.794 2.010 10 30 DEEERN C[C@@](O)(CNC(=O)c1cc(O)cc(C#N)c1)C1CCCCC1 ZINC000616537328 362884397 /nfs/dbraw/zinc/88/43/97/362884397.db2.gz BAECCEGDQOGFDV-QGZVFWFLSA-N 0 0 302.374 2.325 10 30 DEEERN CCc1nc(S(=O)(=O)N(CCC#N)c2ccccc2)c[nH]1 ZINC000070418618 190888051 /nfs/dbraw/zinc/88/80/51/190888051.db2.gz JRAJOFOFEZJIKK-UHFFFAOYSA-N 0 0 304.375 2.081 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000277345437 213461330 /nfs/dbraw/zinc/46/13/30/213461330.db2.gz DWNXHCJKABOWLC-MRXNPFEDSA-N 0 0 324.424 2.301 10 30 DEEERN COc1cc(C#N)ccc1NC(=O)c1cnc(N)c(Cl)c1 ZINC000130443833 185968280 /nfs/dbraw/zinc/96/82/80/185968280.db2.gz LHCIZYNQBAEPMM-UHFFFAOYSA-N 0 0 302.721 2.450 10 30 DEEERN CS(=O)(=O)c1ccc([S@](=O)[C@@H]2CCCC[C@@H]2C#N)cc1 ZINC000084267202 192419351 /nfs/dbraw/zinc/41/93/51/192419351.db2.gz OQHDFKBINWZMGY-FRGNPEFRSA-N 0 0 311.428 2.280 10 30 DEEERN COC(=O)[C@@H](C)N1C(=O)c2ccc(C(F)(F)F)cc2C1C#N ZINC000071680959 191007019 /nfs/dbraw/zinc/00/70/19/191007019.db2.gz ICYNSDLFQIAYEE-RDDDGLTNSA-N 0 0 312.247 2.287 10 30 DEEERN C[C@H]1SCCN(C(=O)c2sccc2C#CCCO)[C@@H]1C ZINC000133641998 186002177 /nfs/dbraw/zinc/00/21/77/186002177.db2.gz KOZALLBVAYZGEC-VXGBXAGGSA-N 0 0 309.456 2.448 10 30 DEEERN C=CCC[C@@H](c1ccccc1)N1C(=O)N[C@H](C(=O)OCC)C1=O ZINC000277299968 213430394 /nfs/dbraw/zinc/43/03/94/213430394.db2.gz VEBYVOUEGZJGKM-KBPBESRZSA-N 0 0 316.357 2.177 10 30 DEEERN CC[C@H](NC(=O)c1cc(C)c(C#CCO)s1)c1ncc[nH]1 ZINC000141595503 186030748 /nfs/dbraw/zinc/03/07/48/186030748.db2.gz BMTNKPVDRRXSHT-NSHDSACASA-N 0 0 303.387 2.005 10 30 DEEERN C=C(C)[C@@H](CO)N1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000616879687 362956809 /nfs/dbraw/zinc/95/68/09/362956809.db2.gz JBFYIGNKQCRNDR-QWHCGFSZSA-N 0 0 310.419 2.394 10 30 DEEERN Cn1nccc1CNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000171145242 197889213 /nfs/dbraw/zinc/88/92/13/197889213.db2.gz PXAGGPFHDSTGOL-UHFFFAOYSA-N 0 0 300.366 2.170 10 30 DEEERN CCn1cnnc1C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000171588120 197946994 /nfs/dbraw/zinc/94/69/94/197946994.db2.gz FMYVFJXBBLEYJU-UHFFFAOYSA-N 0 0 323.400 2.118 10 30 DEEERN N#CCCCCNC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000171594754 197949194 /nfs/dbraw/zinc/94/91/94/197949194.db2.gz ZCZLKRHOJFRUDX-ZDUSSCGKSA-N 0 0 303.387 2.300 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1nnn(C(C)(C)C)n1 ZINC000617043751 363008058 /nfs/dbraw/zinc/00/80/58/363008058.db2.gz DOJRKSKECWTKFD-STQMWFEESA-N 0 0 305.426 2.222 10 30 DEEERN C=CCc1cc(C(=O)N[C@H]2CCCOC2)cc(OC)c1OC ZINC000171690081 197967454 /nfs/dbraw/zinc/96/74/54/197967454.db2.gz MVTCIZXUYQNTCZ-AWEZNQCLSA-N 0 0 305.374 2.341 10 30 DEEERN N#C[C@@H](NC(=O)CN1CCCCC1=O)c1ccccc1Cl ZINC000172027113 198028715 /nfs/dbraw/zinc/02/87/15/198028715.db2.gz KOQBPQZOIZOMKX-CYBMUJFWSA-N 0 0 305.765 2.033 10 30 DEEERN C=CCCC1(CNC(=O)[C@H]2CCc3nncn3C2)CCCC1 ZINC000617417978 363129025 /nfs/dbraw/zinc/12/90/25/363129025.db2.gz OFFMCPUYDKFMBB-AWEZNQCLSA-N 0 0 302.422 2.483 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(Br)ccc1OC ZINC000315830404 539886132 /nfs/dbraw/zinc/88/61/32/539886132.db2.gz AISNYUQOXMUKOL-SNVBAGLBSA-N 0 0 314.179 2.125 10 30 DEEERN C=CCOCCCC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000173058075 198181693 /nfs/dbraw/zinc/18/16/93/198181693.db2.gz DBPQDSYNRLUPIG-CQSZACIVSA-N 0 0 307.394 2.142 10 30 DEEERN O=C(NCC1(C(F)F)CC1)N1CCC2(CNC(=O)C2)CC1 ZINC000329968799 539932674 /nfs/dbraw/zinc/93/26/74/539932674.db2.gz WXIWRADNQPQXNC-UHFFFAOYSA-N 0 0 301.337 2.388 10 30 DEEERN C[C@@]12CN(S(=O)(=O)c3ccc(C#N)nc3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333146265 539949289 /nfs/dbraw/zinc/94/92/89/539949289.db2.gz ZXHPXOSOKDAAHN-KNPMLCFXSA-N 0 0 317.414 2.010 10 30 DEEERN C#CCN(CC#C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000175287981 198457336 /nfs/dbraw/zinc/45/73/36/198457336.db2.gz WPIQCIUCHKGIBS-UHFFFAOYSA-N 0 0 307.397 2.119 10 30 DEEERN C=CC(C)(C)CCNC(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000626217013 366113102 /nfs/dbraw/zinc/11/31/02/366113102.db2.gz QIQJDYAOKOCEPA-UHFFFAOYSA-N 0 0 300.366 2.386 10 30 DEEERN CCn1cnnc1[C@H]1CCCN(C(=O)c2cc(C#N)cs2)C1 ZINC000175882339 198521067 /nfs/dbraw/zinc/52/10/67/198521067.db2.gz LMNSAJMXXRCIDV-LBPRGKRZSA-N 0 0 315.402 2.251 10 30 DEEERN Cc1ccc(-c2nnn(CC#CI)n2)cc1 ZINC000003596928 181038324 /nfs/dbraw/zinc/03/83/24/181038324.db2.gz DKHBCCALGSWZQX-UHFFFAOYSA-N 0 0 324.125 2.044 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)Nc3ccnc(C)c3)cc2C1=O ZINC000010162855 354016671 /nfs/dbraw/zinc/01/66/71/354016671.db2.gz LOFURAIVYQOUOD-UHFFFAOYSA-N 0 0 321.336 2.424 10 30 DEEERN C=CCNC(=O)CN1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000024242503 354063562 /nfs/dbraw/zinc/06/35/62/354063562.db2.gz HNFWOCHHSIAAAQ-AWEZNQCLSA-N 0 0 321.852 2.321 10 30 DEEERN Nc1ccccc1NC(=O)N1CCC(CCCC(=O)NO)CC1 ZINC000036475795 354165108 /nfs/dbraw/zinc/16/51/08/354165108.db2.gz WYQSYGCBIBLHNO-UHFFFAOYSA-N 0 0 320.393 2.188 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)Nc1ccc2c(c1)CCN(C)C2=O ZINC000618088675 363372330 /nfs/dbraw/zinc/37/23/30/363372330.db2.gz QQFGDGPICCCCRZ-SFHVURJKSA-N 0 0 316.401 2.482 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C1 ZINC000626443071 366188747 /nfs/dbraw/zinc/18/87/47/366188747.db2.gz KTXBWWUMGKDETA-LBPRGKRZSA-N 0 0 320.414 2.446 10 30 DEEERN C=CCNC(=O)CN1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000054296103 354457536 /nfs/dbraw/zinc/45/75/36/354457536.db2.gz AQEMHXQLALIYKN-UHFFFAOYSA-N 0 0 300.402 2.192 10 30 DEEERN N#Cc1ccnc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1 ZINC000618137230 363391497 /nfs/dbraw/zinc/39/14/97/363391497.db2.gz PPGCMTXUQMDFBM-UHFFFAOYSA-N 0 0 319.324 2.173 10 30 DEEERN C=CCCO[C@H](C)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000069354242 354861574 /nfs/dbraw/zinc/86/15/74/354861574.db2.gz WYAVFJJEDVGZNI-CQSZACIVSA-N 0 0 303.406 2.148 10 30 DEEERN CC#CCNC(=O)NC[C@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000595580493 358491828 /nfs/dbraw/zinc/49/18/28/358491828.db2.gz ZMWQUNHFBOGOPH-OAHLLOKOSA-N 0 0 314.385 2.216 10 30 DEEERN C=CCC1(NC(=O)c2cc3cc[nH]c(=O)c3s2)CCOCC1 ZINC000618252396 363432340 /nfs/dbraw/zinc/43/23/40/363432340.db2.gz KGVLFXXJRWJLGJ-UHFFFAOYSA-N 0 0 318.398 2.445 10 30 DEEERN C=C[C@@H]1OCC[C@H]1c1nc(Cc2ccc3c(c2)OCO3)no1 ZINC000351060672 540048308 /nfs/dbraw/zinc/04/83/08/540048308.db2.gz GSQFQZBJARSFTC-NEPJUHHUSA-N 0 0 300.314 2.448 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@H]1c1ccccc1 ZINC000329239408 283059776 /nfs/dbraw/zinc/05/97/76/283059776.db2.gz QGCCMCVMXTXKRS-ZACQAIPSSA-N 0 0 320.396 2.211 10 30 DEEERN C=CCOCCCC(=O)NCc1nccn1CC(F)(F)F ZINC000080007875 355341835 /nfs/dbraw/zinc/34/18/35/355341835.db2.gz PLTQYQNWKVGNLC-UHFFFAOYSA-N 0 0 305.300 2.044 10 30 DEEERN C[C@H](CO)[C@H](C)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000077700948 191758561 /nfs/dbraw/zinc/75/85/61/191758561.db2.gz CDWKUYOQADZWPO-BDAKNGLRSA-N 0 0 313.304 2.298 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(OCCOC)c1 ZINC000130522265 355843302 /nfs/dbraw/zinc/84/33/02/355843302.db2.gz HFLHWOCRAVTFDA-UHFFFAOYSA-N 0 0 320.389 2.075 10 30 DEEERN C=CCCCN(C)C(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000135098680 355864204 /nfs/dbraw/zinc/86/42/04/355864204.db2.gz YVFHUHHIYMQGGY-AWEZNQCLSA-N 0 0 316.401 2.473 10 30 DEEERN C=CCCCN(C)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000135099649 355864679 /nfs/dbraw/zinc/86/46/79/355864679.db2.gz LNDUYHDBXDPIGO-UHFFFAOYSA-N 0 0 314.385 2.487 10 30 DEEERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N(CC#N)C1CCCC1 ZINC000128258070 355827074 /nfs/dbraw/zinc/82/70/74/355827074.db2.gz QDUGYQGPCMOODK-ZDUSSCGKSA-N 0 0 314.389 2.491 10 30 DEEERN COC(=O)N1CCc2c(C#N)c(NC(=O)C(C)C)sc2C1 ZINC000005255558 181222315 /nfs/dbraw/zinc/22/23/15/181222315.db2.gz ZNMCTYJRNNRCEJ-UHFFFAOYSA-N 0 0 307.375 2.339 10 30 DEEERN C=CCCOCCNC(=O)C(=O)Nc1ccc(CC)c(CC)c1 ZINC000180196272 356045213 /nfs/dbraw/zinc/04/52/13/356045213.db2.gz CJQJKTGXYGTQKO-UHFFFAOYSA-N 0 0 318.417 2.459 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)NCCCn1ccnn1 ZINC000182498167 356129597 /nfs/dbraw/zinc/12/95/97/356129597.db2.gz MGRMKRNNVDFUHL-UHFFFAOYSA-N 0 0 305.426 2.446 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccc(Br)s1 ZINC000182879622 356149972 /nfs/dbraw/zinc/14/99/72/356149972.db2.gz YQGYXGVVOXLLDE-QMMMGPOBSA-N 0 0 319.224 2.247 10 30 DEEERN C[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)c1nccs1 ZINC000080276830 192019754 /nfs/dbraw/zinc/01/97/54/192019754.db2.gz LIFLWJGSNRITCP-MRVPVSSYSA-N 0 0 311.363 2.193 10 30 DEEERN CN(C)c1ncccc1CNC(=O)Nc1ccc(F)cc1C#N ZINC000193667647 356229275 /nfs/dbraw/zinc/22/92/75/356229275.db2.gz PWVINFWRORZDHI-UHFFFAOYSA-N 0 0 313.336 2.480 10 30 DEEERN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)NC[C@@H](C)C#N ZINC000184582480 356193852 /nfs/dbraw/zinc/19/38/52/356193852.db2.gz AAMQYTZRZJBGGF-LSDHHAIUSA-N 0 0 300.406 2.456 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000194554407 356241039 /nfs/dbraw/zinc/24/10/39/356241039.db2.gz WVBFITGTQGHLEU-UHFFFAOYSA-N 0 0 305.334 2.035 10 30 DEEERN C=CCSCCNc1ccccc1S(=O)(=O)NCC ZINC000231955849 356285207 /nfs/dbraw/zinc/28/52/07/356285207.db2.gz CHGNZANPAJVKRL-UHFFFAOYSA-N 0 0 300.449 2.316 10 30 DEEERN Cc1ccc(I)cc1NC(=O)CS ZINC000300956275 356391360 /nfs/dbraw/zinc/39/13/60/356391360.db2.gz MTIGOLHDKMCDRK-UHFFFAOYSA-N 0 0 307.156 2.468 10 30 DEEERN O=C1c2ccccc2C(=O)N1c1ccc(F)c(C#CCCO)c1 ZINC000306871501 356406610 /nfs/dbraw/zinc/40/66/10/356406610.db2.gz XKXVPQBJPSLENG-UHFFFAOYSA-N 0 0 309.296 2.360 10 30 DEEERN CC(C)(C)NC(=O)N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 ZINC000328606544 356459852 /nfs/dbraw/zinc/45/98/52/356459852.db2.gz RYIQAEHMHGGAOG-NWDGAFQWSA-N 0 0 323.441 2.291 10 30 DEEERN Cc1cc(N2CC[C@H](N(C)Cc3ncccn3)C2)c(C#N)c(C)n1 ZINC000328623610 356463258 /nfs/dbraw/zinc/46/32/58/356463258.db2.gz BYQYBSCDRBNAAU-HNNXBMFYSA-N 0 0 322.416 2.071 10 30 DEEERN CCN1CCN(C(=O)Nc2cnccc2C)C[C@@H]1c1ncc[nH]1 ZINC000328644354 356465896 /nfs/dbraw/zinc/46/58/96/356465896.db2.gz ZDRYAGOZFBORET-CQSZACIVSA-N 0 0 314.393 2.037 10 30 DEEERN C=CCN(CCOC)C(=O)c1cc(C)n([C@H]2CCOC2)c1C ZINC000626638285 366253567 /nfs/dbraw/zinc/25/35/67/366253567.db2.gz KMJPKKFZCVYCGM-HNNXBMFYSA-N 0 0 306.406 2.341 10 30 DEEERN CNc1ncc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1Cl ZINC000081680696 192312845 /nfs/dbraw/zinc/31/28/45/192312845.db2.gz JBBLYEPIFYAOEZ-UHFFFAOYSA-N 0 0 322.777 2.449 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1nc(-c2ccncc2)cs1 ZINC000081730884 192317606 /nfs/dbraw/zinc/31/76/06/192317606.db2.gz BRIKLNPWVGGRGJ-UHFFFAOYSA-N 0 0 323.381 2.345 10 30 DEEERN C=C(CC)Cn1cnc(C)c(I)c1=O ZINC000085464625 192508294 /nfs/dbraw/zinc/50/82/94/192508294.db2.gz MFKFRWUGZDMBQU-UHFFFAOYSA-N 0 0 304.131 2.123 10 30 DEEERN C=CCOCCCNC(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000618522456 363514431 /nfs/dbraw/zinc/51/44/31/363514431.db2.gz INBYZDPLELVLDJ-UHFFFAOYSA-N 0 0 303.337 2.334 10 30 DEEERN C=CCOCCCNC(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000618522414 363514586 /nfs/dbraw/zinc/51/45/86/363514586.db2.gz GTQSSVCFCPSZNE-UHFFFAOYSA-N 0 0 316.401 2.213 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000618524910 363516093 /nfs/dbraw/zinc/51/60/93/363516093.db2.gz VQLLBHJRAIUENO-MRXNPFEDSA-N 0 0 305.374 2.177 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)CC2CCC(F)(F)CC2)C1=O ZINC000626848718 366344800 /nfs/dbraw/zinc/34/48/00/366344800.db2.gz HIVFXWIILWTVPP-ZDUSSCGKSA-N 0 0 314.376 2.447 10 30 DEEERN N#Cc1cc(Br)ccc1NCC[C@]1(O)CCOC1 ZINC000404172332 356731551 /nfs/dbraw/zinc/73/15/51/356731551.db2.gz VMMQDTFSJSXHQW-ZDUSSCGKSA-N 0 0 311.179 2.274 10 30 DEEERN N#Cc1ccc(NCC[C@]2(O)CCOC2)c(Br)c1 ZINC000404164407 356731758 /nfs/dbraw/zinc/73/17/58/356731758.db2.gz NDCWKHFGIBEBJV-ZDUSSCGKSA-N 0 0 311.179 2.274 10 30 DEEERN N#Cc1cc(S(N)(=O)=O)c(C(F)(F)F)cc1C(F)(F)F ZINC000514281032 356741702 /nfs/dbraw/zinc/74/17/02/356741702.db2.gz IWTLMXKUBAAITA-UHFFFAOYSA-N 0 0 318.198 2.243 10 30 DEEERN N#Cc1cnc2c(I)cc(F)cc2c1N ZINC000086765305 192597947 /nfs/dbraw/zinc/59/79/47/192597947.db2.gz UJSPWEQPDNZMFF-UHFFFAOYSA-N 0 0 313.073 2.432 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2nc(C)cn2c1 ZINC000578885109 356888020 /nfs/dbraw/zinc/88/80/20/356888020.db2.gz FECPFRUCFAYJPL-JSGCOSHPSA-N 0 0 300.362 2.355 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1nc2c(s1)COCC2 ZINC000579729368 357024373 /nfs/dbraw/zinc/02/43/73/357024373.db2.gz NUFPLFAPKPXMCN-UHFFFAOYSA-N 0 0 323.418 2.017 10 30 DEEERN C=CCn1cc(CNC(=O)N2Cc3ccccc3C3(CC3)C2)nn1 ZINC000579826155 357037128 /nfs/dbraw/zinc/03/71/28/357037128.db2.gz MLVWCTRJQFKLEZ-UHFFFAOYSA-N 0 0 323.400 2.221 10 30 DEEERN C=CCCn1cc(C(=O)N2CC3CC2(C(F)(F)F)C3)nn1 ZINC000579707053 357017998 /nfs/dbraw/zinc/01/79/98/357017998.db2.gz ZSEYCNIRVBBFHM-UHFFFAOYSA-N 0 0 300.284 2.021 10 30 DEEERN C=CCCCCCNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)OC ZINC000579972233 357062224 /nfs/dbraw/zinc/06/22/24/357062224.db2.gz RIFQNZNSGDZXGC-KGLIPLIRSA-N 0 0 317.451 2.384 10 30 DEEERN C=CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C2CCC2)C1 ZINC000581595303 357212259 /nfs/dbraw/zinc/21/22/59/357212259.db2.gz RUWXFEFFAZZJEK-HUUCEWRRSA-N 0 0 318.421 2.321 10 30 DEEERN N#Cc1cccc(Cc2nc(CC(=O)NC3CCCC3)no2)c1 ZINC000581601053 357213449 /nfs/dbraw/zinc/21/34/49/357213449.db2.gz SRJCMXKFMLBTSU-UHFFFAOYSA-N 0 0 310.357 2.133 10 30 DEEERN COc1cnc(NC(=O)NCc2ccc(C#N)cc2F)s1 ZINC000588299897 357405618 /nfs/dbraw/zinc/40/56/18/357405618.db2.gz XAOPOXVRGFSITL-UHFFFAOYSA-N 0 0 306.322 2.484 10 30 DEEERN C=C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)C(=O)OC ZINC000589284709 357461714 /nfs/dbraw/zinc/46/17/14/357461714.db2.gz YCXQAFBARMHJAU-ZNMIVQPWSA-N 0 0 308.809 2.402 10 30 DEEERN CC(C)[C@H](O)CC(=O)NCCSCc1ccccc1C#N ZINC000178866481 198943287 /nfs/dbraw/zinc/94/32/87/198943287.db2.gz XHUZFROPAIMETH-OAHLLOKOSA-N 0 0 306.431 2.315 10 30 DEEERN N#Cc1ccc(NC(=O)C(=O)NCCC2CCCC2)c(F)c1 ZINC000178835170 198938371 /nfs/dbraw/zinc/93/83/71/198938371.db2.gz CADSHVBDKFKFSF-UHFFFAOYSA-N 0 0 303.337 2.332 10 30 DEEERN C=CCSCCNC(=O)N[C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000591923471 357798551 /nfs/dbraw/zinc/79/85/51/357798551.db2.gz FGXGTMKZVXEQGT-UTUOFQBUSA-N 0 0 304.481 2.114 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H](C)CC(F)F ZINC000592067615 357823892 /nfs/dbraw/zinc/82/38/92/357823892.db2.gz MEALGVDLGREGMK-VIFPVBQESA-N 0 0 302.346 2.436 10 30 DEEERN C=C(C)[C@@H](CC(=O)N[C@@H]1C[C@@H](OCC)[C@H]1SC)OCC ZINC000592706435 357928387 /nfs/dbraw/zinc/92/83/87/357928387.db2.gz FUQOPSCIWITJRW-BHPKHCPMSA-N 0 0 301.452 2.383 10 30 DEEERN CC[C@@H]1CN(C(=O)Cc2ccc(C#N)cc2)CCN1CC(F)F ZINC000179405262 199030297 /nfs/dbraw/zinc/03/02/97/199030297.db2.gz LOPFIUYQMDWHPU-OAHLLOKOSA-N 0 0 321.371 2.289 10 30 DEEERN C=CCCC(=O)N[C@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000594207814 358224525 /nfs/dbraw/zinc/22/45/25/358224525.db2.gz GSEFFDXTPOPPTP-CQSZACIVSA-N 0 0 304.390 2.417 10 30 DEEERN C=CCC[C@H](NC(=O)c1ccn(C(C)(C)C)n1)C(=O)OCC ZINC000594368725 358250017 /nfs/dbraw/zinc/25/00/17/358250017.db2.gz CUJWMAJDMRQOFG-ZDUSSCGKSA-N 0 0 307.394 2.266 10 30 DEEERN C=CCCn1cc(CSCc2nc([C@@H](C)OC)no2)nn1 ZINC000594557636 358293952 /nfs/dbraw/zinc/29/39/52/358293952.db2.gz PEZYGBVLQAMWKD-SNVBAGLBSA-N 0 0 309.395 2.378 10 30 DEEERN C=CCC[C@H](CO)NC(=O)Nc1ccc(COC)c(OC)c1 ZINC000627026575 366411822 /nfs/dbraw/zinc/41/18/22/366411822.db2.gz RSQCORLNOYGYGQ-CQSZACIVSA-N 0 0 308.378 2.290 10 30 DEEERN CC(=O)N1CCC[C@@H](CNc2cc(C)c([N+](=O)[O-])c(C#N)c2)C1 ZINC000596226873 358645767 /nfs/dbraw/zinc/64/57/67/358645767.db2.gz ZHRJISBUGHQPLV-ZDUSSCGKSA-N 0 0 316.361 2.445 10 30 DEEERN C=CCCSCCNC(=O)N(CCO)Cc1ccc(C)o1 ZINC000596715432 358744991 /nfs/dbraw/zinc/74/49/91/358744991.db2.gz GPYPWKQAGWHGQN-UHFFFAOYSA-N 0 0 312.435 2.401 10 30 DEEERN C=CCN(C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1SC)[C@@H](C)COC ZINC000596645599 358732252 /nfs/dbraw/zinc/73/22/52/358732252.db2.gz ZZMAUDUFLPKRFU-DGAVXFQQSA-N 0 0 316.467 2.128 10 30 DEEERN CC(=O)N1CCc2c1cccc2NC(=O)N1CC[C@](C)(C#N)C1 ZINC000596843267 358773682 /nfs/dbraw/zinc/77/36/82/358773682.db2.gz ITZFSXCLQCOYSM-QGZVFWFLSA-N 0 0 312.373 2.363 10 30 DEEERN C=CCOCCCNC(=O)Nc1ccc(CC(=O)OC)c(F)c1 ZINC000596934001 358790843 /nfs/dbraw/zinc/79/08/43/358790843.db2.gz AVPULURMQIVBGP-UHFFFAOYSA-N 0 0 324.352 2.255 10 30 DEEERN C=CCOC[C@H](NC(=O)C1CCC(C2CC2)CC1)C(=O)OC ZINC000597606631 358961602 /nfs/dbraw/zinc/96/16/02/358961602.db2.gz JSIGYPFUDZDVPX-NRXISQOPSA-N 0 0 309.406 2.063 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1 ZINC000597500090 358933895 /nfs/dbraw/zinc/93/38/95/358933895.db2.gz IVNWDVPANLZZMW-KGLIPLIRSA-N 0 0 311.422 2.188 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000597586232 358955288 /nfs/dbraw/zinc/95/52/88/358955288.db2.gz ZNKWGRWZBMMMIG-IRXDYDNUSA-N 0 0 311.385 2.133 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(C)n(-c2cc(C)on2)c1C ZINC000185794957 199888906 /nfs/dbraw/zinc/88/89/06/199888906.db2.gz UOSMNYOWVNXFPR-ZDUSSCGKSA-N 0 0 303.362 2.057 10 30 DEEERN C=CCCSCCNC(=O)c1ccnn1C1CCOCC1 ZINC000597973544 359056305 /nfs/dbraw/zinc/05/63/05/359056305.db2.gz GJBNVWKVUPMXAL-UHFFFAOYSA-N 0 0 309.435 2.274 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000598582601 359248655 /nfs/dbraw/zinc/24/86/55/359248655.db2.gz NSMZIMLEAAQTER-ILXRZTDVSA-N 0 0 323.433 2.452 10 30 DEEERN C=C[C@](C)(O)C(=O)Nc1nc(C(C)C)c(C(=O)OCC)s1 ZINC000598695603 359294793 /nfs/dbraw/zinc/29/47/93/359294793.db2.gz SZLKECFXERKXAU-AWEZNQCLSA-N 0 0 312.391 2.319 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NCC[C@H]1CC1(F)F ZINC000598621478 359264293 /nfs/dbraw/zinc/26/42/93/359264293.db2.gz GQRIBTFUMAHCOP-NSHDSACASA-N 0 0 300.330 2.190 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2c1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598636407 359269434 /nfs/dbraw/zinc/26/94/34/359269434.db2.gz WUBBDQIZKHJLAT-PHIMTYICSA-N 0 0 303.318 2.464 10 30 DEEERN C=CCSCCNC(=O)NC[C@H](n1cccn1)C(F)(F)F ZINC000598977768 359374010 /nfs/dbraw/zinc/37/40/10/359374010.db2.gz DLXYNXQJMVKMLM-JTQLQIEISA-N 0 0 322.356 2.205 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CCC4(CC4)CC3)cc2C1=O ZINC000598900371 359353747 /nfs/dbraw/zinc/35/37/47/359353747.db2.gz RNBYGWPMERODDM-UHFFFAOYSA-N 0 0 324.380 2.485 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cn1cncc1C ZINC000599200521 359431799 /nfs/dbraw/zinc/43/17/99/359431799.db2.gz VGVPKTVOGZZRBW-UHFFFAOYSA-N 0 0 314.345 2.315 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)C1 ZINC000599374915 359481820 /nfs/dbraw/zinc/48/18/20/359481820.db2.gz NLSHOJHEPPHSQH-ZDUSSCGKSA-N 0 0 323.414 2.368 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000599373853 359481832 /nfs/dbraw/zinc/48/18/32/359481832.db2.gz FAJDGUURWCHQFZ-GFCCVEGCSA-N 0 0 310.375 2.323 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2cccc(CC(=O)OC)n2)C1 ZINC000599790922 359598666 /nfs/dbraw/zinc/59/86/66/359598666.db2.gz MXZZQDMHDZEQML-LBPRGKRZSA-N 0 0 303.362 2.227 10 30 DEEERN C=CCC[C@@H](NC(=O)c1cc(C)cn2ccnc12)C(=O)OCC ZINC000599997777 359632143 /nfs/dbraw/zinc/63/21/43/359632143.db2.gz XUWALQSYLSBKOF-CQSZACIVSA-N 0 0 315.373 2.270 10 30 DEEERN C=CC[C@@H](C(=O)NCCCN1CCCC1=O)c1ccccc1 ZINC000187281225 200088513 /nfs/dbraw/zinc/08/85/13/200088513.db2.gz UAKILZVRTGQSND-MRXNPFEDSA-N 0 0 300.402 2.475 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000600284230 359712379 /nfs/dbraw/zinc/71/23/79/359712379.db2.gz HYQDMSYVNQRWEO-IIYDPXPESA-N 0 0 309.406 2.206 10 30 DEEERN C#CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)C1CCCC1 ZINC000188104173 200193913 /nfs/dbraw/zinc/19/39/13/200193913.db2.gz GKDWIUFAEHQBGC-ZDUSSCGKSA-N 0 0 314.385 2.332 10 30 DEEERN C=CC[C@@H](C(=O)N1CC(NC(=O)C2CCC2)C1)c1ccccc1 ZINC000188282852 200220833 /nfs/dbraw/zinc/22/08/33/200220833.db2.gz UALPLDZUIWTGIF-QGZVFWFLSA-N 0 0 312.413 2.473 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C)nn1CC ZINC000627635396 366574073 /nfs/dbraw/zinc/57/40/73/366574073.db2.gz OCEOXKWIYNAJEE-KBPBESRZSA-N 0 0 318.421 2.401 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cc(C)c2nccn2c1 ZINC000627685953 366591278 /nfs/dbraw/zinc/59/12/78/366591278.db2.gz ODWWVWWBKOGFCF-UHFFFAOYSA-N 0 0 314.389 2.300 10 30 DEEERN C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CCC1=O ZINC000188619806 200276105 /nfs/dbraw/zinc/27/61/05/200276105.db2.gz DYPLIIXAOZQGRC-GFCCVEGCSA-N 0 0 300.358 2.153 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H](C)c2ccc([S@](C)=O)cc2)C1=O ZINC000601069064 359911269 /nfs/dbraw/zinc/91/12/69/359911269.db2.gz RHWDSHSFJCDXLR-PJJWTOGQSA-N 0 0 320.414 2.372 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H](C(=O)OC(C)(C)C)C(C)C)C1=O ZINC000601072007 359913239 /nfs/dbraw/zinc/91/32/39/359913239.db2.gz ZAWLDIMPSCZCTP-OLZOCXBDSA-N 0 0 324.421 2.487 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2scnc2C2CC2)C1 ZINC000627733696 366603198 /nfs/dbraw/zinc/60/31/98/366603198.db2.gz ANIIWFXNYDAFNO-JTQLQIEISA-N 0 0 305.403 2.384 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cnc(C)nc2C2CC2)C1 ZINC000627732781 366603548 /nfs/dbraw/zinc/60/35/48/366603548.db2.gz CJQWXSNHEPGSSE-LBPRGKRZSA-N 0 0 314.389 2.026 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(OC)ccc2F)C1 ZINC000627734519 366604807 /nfs/dbraw/zinc/60/48/07/366604807.db2.gz VLQJMFCBYQWTOP-LLVKDONJSA-N 0 0 306.337 2.197 10 30 DEEERN CC(=O)N1CCN(c2ncc(C#N)c3ccsc32)[C@@H](C)C1 ZINC000601130918 359933349 /nfs/dbraw/zinc/93/33/49/359933349.db2.gz QVIDERLZJWKCRX-JTQLQIEISA-N 0 0 300.387 2.225 10 30 DEEERN C=CCC[C@@H](CO)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601172316 359952645 /nfs/dbraw/zinc/95/26/45/359952645.db2.gz XHLAGRWLTAPKLZ-ZETCQYMHSA-N 0 0 308.260 2.086 10 30 DEEERN C=C(C)C[C@H](Nc1cc(C(C)C)nc2ncnn21)C(=O)OC ZINC000601227676 359973838 /nfs/dbraw/zinc/97/38/38/359973838.db2.gz QQEDFOQUYVGNLL-LBPRGKRZSA-N 0 0 303.366 2.167 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cn(C)c2ccccc12)C(=O)OC ZINC000601770959 360140328 /nfs/dbraw/zinc/14/03/28/360140328.db2.gz GBQOIYGZYDNRNK-AWEZNQCLSA-N 0 0 300.358 2.416 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCCOc1ccccc1)C(=O)OC ZINC000601771901 360140354 /nfs/dbraw/zinc/14/03/54/360140354.db2.gz MLDUJYMQURJWQY-OAHLLOKOSA-N 0 0 305.374 2.470 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCOc1ccccc1F)C(=O)OC ZINC000601770178 360140543 /nfs/dbraw/zinc/14/05/43/360140543.db2.gz AWYVJKPEJDXGCU-ZDUSSCGKSA-N 0 0 309.337 2.219 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCOc1ccc(OC)cc1)C(=O)OC ZINC000601772240 360141348 /nfs/dbraw/zinc/14/13/48/360141348.db2.gz OEZYJGOKTHWBQW-HNNXBMFYSA-N 0 0 321.373 2.088 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCn1cnc2ccccc21)C(=O)OC ZINC000601772321 360141728 /nfs/dbraw/zinc/14/17/28/360141728.db2.gz PGYCAAMVBGQZTL-AWEZNQCLSA-N 0 0 315.373 2.050 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cnn(C(C)(C)C)c1C)C(=O)OC ZINC000601777229 360143819 /nfs/dbraw/zinc/14/38/19/360143819.db2.gz GAIJUKOPBIJUOQ-CYBMUJFWSA-N 0 0 307.394 2.184 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](C)OCc1ccccc1)C(=O)OC ZINC000601778667 360144560 /nfs/dbraw/zinc/14/45/60/360144560.db2.gz OSSVSVTWXROBGS-HIFRSBDPSA-N 0 0 305.374 2.216 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cnc2n1[C@H](C)CCC2)C(=O)OC ZINC000601784991 360148391 /nfs/dbraw/zinc/14/83/91/360148391.db2.gz OLSVKVINYPMWPA-VXGBXAGGSA-N 0 0 305.378 2.018 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cc1ccc(O)c(Cl)c1)C(=O)OC ZINC000601785404 360148518 /nfs/dbraw/zinc/14/85/18/360148518.db2.gz DLICXRDMSOQYJY-GFCCVEGCSA-N 0 0 311.765 2.212 10 30 DEEERN C=C(C)C[C@@H](NC(=O)C[C@@H](C)n1ccnc1CC)C(=O)OC ZINC000601785033 360148793 /nfs/dbraw/zinc/14/87/93/360148793.db2.gz OVEWXNGBWPRJQX-CHWSQXEVSA-N 0 0 307.394 2.021 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(CSCC)on1)C(=O)OC ZINC000601787650 360150435 /nfs/dbraw/zinc/15/04/35/360150435.db2.gz LXYSGRYJUGUNEA-LBPRGKRZSA-N 0 0 312.391 2.165 10 30 DEEERN C=C(Br)CN1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189349849 200385469 /nfs/dbraw/zinc/38/54/69/200385469.db2.gz PIIDAZYJQRSHBP-VHSXEESVSA-N 0 0 302.172 2.048 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@](OC)(C(=O)OC)C1 ZINC000602336030 360343721 /nfs/dbraw/zinc/34/37/21/360343721.db2.gz WTVXZMSHMAFHPJ-KEYYUXOJSA-N 0 0 324.421 2.095 10 30 DEEERN C=CCOc1ccc(CC(=O)NCCc2cncc(C)n2)cc1 ZINC000619197167 363731763 /nfs/dbraw/zinc/73/17/63/363731763.db2.gz KAJIGTCGJZWKRE-UHFFFAOYSA-N 0 0 311.385 2.251 10 30 DEEERN C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000330222146 291227751 /nfs/dbraw/zinc/22/77/51/291227751.db2.gz RNSZWFGCKCHEQJ-JHJVBQTASA-N 0 0 314.451 2.112 10 30 DEEERN N#CC1CCC(CNC(=O)CNC(=O)c2cccc(F)c2)CC1 ZINC000441698410 238031755 /nfs/dbraw/zinc/03/17/55/238031755.db2.gz GWLMCFGCCDFGPX-UHFFFAOYSA-N 0 0 317.364 2.002 10 30 DEEERN C=CCNC(=O)CNC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000271987630 209362228 /nfs/dbraw/zinc/36/22/28/209362228.db2.gz LCFMGOWDEHJGCQ-CYBMUJFWSA-N 0 0 321.808 2.141 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC000275792526 212538035 /nfs/dbraw/zinc/53/80/35/212538035.db2.gz JZERIUIWSZGOFK-RHSMWYFYSA-N 0 0 316.401 2.265 10 30 DEEERN COc1cc(C#N)ccc1OCC(=O)Nc1ccc2nccn2c1 ZINC000609619497 361329158 /nfs/dbraw/zinc/32/91/58/361329158.db2.gz YNISLIVUNHWZDN-UHFFFAOYSA-N 0 0 322.324 2.232 10 30 DEEERN COCCN(CCC#N)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000610387521 361392009 /nfs/dbraw/zinc/39/20/09/361392009.db2.gz ZJMQOMZLDBIJSZ-OCCSQVGLSA-N 0 0 308.328 2.457 10 30 DEEERN C[C@H]1CN(C(=O)c2sccc2C#N)C[C@H](C(F)(F)F)O1 ZINC000610399171 361392821 /nfs/dbraw/zinc/39/28/21/361392821.db2.gz VXBYIRDRGARVSM-IONNQARKSA-N 0 0 304.293 2.412 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1cnc2c(cnn2C)c1OC ZINC000628313944 366805860 /nfs/dbraw/zinc/80/58/60/366805860.db2.gz HZKUCUWWVMJWQB-UHFFFAOYSA-N 0 0 302.378 2.309 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1cnc2c(c1)NC(=O)CS2 ZINC000628314902 366805876 /nfs/dbraw/zinc/80/58/76/366805876.db2.gz QWUXCELDFSAXSX-UHFFFAOYSA-N 0 0 305.403 2.458 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1c(C)nn(C)c1-n1cccn1 ZINC000628314154 366806673 /nfs/dbraw/zinc/80/66/73/366806673.db2.gz NYUDSVFCFRYJTN-UHFFFAOYSA-N 0 0 301.394 2.246 10 30 DEEERN COC(=O)c1ccc2c(c1)CN(C(=O)Cc1cccc(C#N)c1)C2 ZINC000610521404 361416193 /nfs/dbraw/zinc/41/61/93/361416193.db2.gz KNRXWARTGJMTDM-UHFFFAOYSA-N 0 0 320.348 2.430 10 30 DEEERN CN(CC(=O)NC1(C#N)CCSCC1)c1ccc(Cl)cn1 ZINC000611118810 361529928 /nfs/dbraw/zinc/52/99/28/361529928.db2.gz SXDNIFRNVZMTEL-UHFFFAOYSA-N 0 0 324.837 2.077 10 30 DEEERN C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)[C@H]1CCCCO1 ZINC000611471980 361605450 /nfs/dbraw/zinc/60/54/50/361605450.db2.gz SBWQWEHTLOXMMW-IAQYHMDHSA-N 0 0 305.353 2.454 10 30 DEEERN CO[C@H]1CCC[C@H]1CNC(=O)NCc1ccc(C#N)cc1F ZINC000611375120 361587223 /nfs/dbraw/zinc/58/72/23/361587223.db2.gz CEVYLKXQTCFHIR-ZFWWWQNUSA-N 0 0 305.353 2.312 10 30 DEEERN C=CCOCCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000611561484 361631866 /nfs/dbraw/zinc/63/18/66/361631866.db2.gz NXEJILQUGIYEBD-HNNXBMFYSA-N 0 0 316.361 2.210 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H](C)CCOC ZINC000611968250 361714936 /nfs/dbraw/zinc/71/49/36/361714936.db2.gz UZZKDAJXGDDEEV-RRFJBIMHSA-N 0 0 310.438 2.026 10 30 DEEERN CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NCC1CCC(C#N)CC1 ZINC000619660061 363849978 /nfs/dbraw/zinc/84/99/78/363849978.db2.gz GVYIFTXWOBFFLM-YMAMQOFZSA-N 0 0 319.449 2.470 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2nnnc2C)cc1 ZINC000620301726 364013039 /nfs/dbraw/zinc/01/30/39/364013039.db2.gz TZKNJYWQGOLFQD-IYBDPMFKSA-N 0 0 309.373 2.294 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](OC)C1CCCCC1 ZINC000620381610 364032386 /nfs/dbraw/zinc/03/23/86/364032386.db2.gz MKXBIJNMLFZKNJ-CVEARBPZSA-N 0 0 310.438 2.169 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCC1(CC(N)=O)CCCCC1)OCC ZINC000620700947 364129052 /nfs/dbraw/zinc/12/90/52/364129052.db2.gz ZAFHSBGSKQZGCU-CQSZACIVSA-N 0 0 310.438 2.300 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000621123860 364269177 /nfs/dbraw/zinc/26/91/77/364269177.db2.gz RTGMRDXNVKRQPD-GLQYFDAESA-N 0 0 305.365 2.486 10 30 DEEERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NC1(C#N)CCSCC1 ZINC000162537943 291321289 /nfs/dbraw/zinc/32/12/89/291321289.db2.gz BKBNEWRJKDBBMN-FZMZJTMJSA-N 0 0 302.399 2.457 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000623003832 364853151 /nfs/dbraw/zinc/85/31/51/364853151.db2.gz XGLJGOHANDOFRU-DOMZBBRYSA-N 0 0 307.415 2.375 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(F)c(F)cc1OC ZINC000622873739 364817749 /nfs/dbraw/zinc/81/77/49/364817749.db2.gz ZNPDYMFYBWZZON-CYBMUJFWSA-N 0 0 312.316 2.383 10 30 DEEERN C=C(C)[C@@H](CC(=O)N[C@@H]1c2ccccc2CN(C)C1=O)OCC ZINC000623270481 364958373 /nfs/dbraw/zinc/95/83/73/364958373.db2.gz HJHCXIOUAGYEFY-NVXWUHKLSA-N 0 0 316.401 2.187 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1Cc2ccccc2N(C)C(=O)C1 ZINC000623285799 364966902 /nfs/dbraw/zinc/96/69/02/364966902.db2.gz VWLSGXOITKAAEP-SFHVURJKSA-N 0 0 316.401 2.220 10 30 DEEERN C=CCN(CC=C)C(=O)CN1Cc2ccccc2NC(=O)[C@H]1C ZINC000623289196 364968233 /nfs/dbraw/zinc/96/82/33/364968233.db2.gz NQMUUASBVWDCQP-CQSZACIVSA-N 0 0 313.401 2.030 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NC2CCN(CC(F)F)CC2)C1 ZINC000623562758 365080411 /nfs/dbraw/zinc/08/04/11/365080411.db2.gz BIXQOJRDVLMFME-LBPRGKRZSA-N 0 0 301.381 2.324 10 30 DEEERN C=C[C@H](C)NC(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000623747269 365159784 /nfs/dbraw/zinc/15/97/84/365159784.db2.gz UXBZNMMNXDDEJT-SWLSCSKDSA-N 0 0 323.824 2.419 10 30 DEEERN C=C(C)COCCNC(=O)NC[C@@]1(C)COc2ccccc2O1 ZINC000623768276 365167871 /nfs/dbraw/zinc/16/78/71/365167871.db2.gz QJQAQNUPPNLIOM-KRWDZBQOSA-N 0 0 320.389 2.108 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000091238268 193025245 /nfs/dbraw/zinc/02/52/45/193025245.db2.gz OXTGVMZFRUAODE-UHFFFAOYSA-N 0 0 301.346 2.499 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)C1 ZINC000624076855 365277529 /nfs/dbraw/zinc/27/75/29/365277529.db2.gz GJBWFRCQGKIOSE-YYIAUSFCSA-N 0 0 319.449 2.241 10 30 DEEERN CCCc1nnsc1C(=O)N1CCC(C#N)(SC)CC1 ZINC000091472131 193060923 /nfs/dbraw/zinc/06/09/23/193060923.db2.gz WQCGZTKSNQICAF-UHFFFAOYSA-N 0 0 310.448 2.352 10 30 DEEERN CSC1(C#N)CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000091474070 193061005 /nfs/dbraw/zinc/06/10/05/193061005.db2.gz ZSNXZZUPKYENTL-UHFFFAOYSA-N 0 0 307.394 2.485 10 30 DEEERN N#C[C@H]1CNCCN1CCOc1c(Cl)cccc1Cl ZINC000091748353 193101482 /nfs/dbraw/zinc/10/14/82/193101482.db2.gz LKOGBVQHRKZBBT-JTQLQIEISA-N 0 0 300.189 2.170 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@H](CO)[C@H]1CCC[C@@H](OC)C1 ZINC000624459440 365427972 /nfs/dbraw/zinc/42/79/72/365427972.db2.gz CDFXLFUFILVOIQ-RRFJBIMHSA-N 0 0 312.454 2.454 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000624464214 365429820 /nfs/dbraw/zinc/42/98/20/365429820.db2.gz PZVIMZKNOHXRTP-UHFFFAOYSA-N 0 0 307.438 2.243 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC(Cn2cnnc2)CC1 ZINC000624461737 365429839 /nfs/dbraw/zinc/42/98/39/365429839.db2.gz JXIJQEFJHBMFMH-UHFFFAOYSA-N 0 0 305.426 2.302 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NC[C@H]1c2ccccc2C(=O)N1C ZINC000628954526 367025962 /nfs/dbraw/zinc/02/59/62/367025962.db2.gz LTOXVIKBSZVRFD-MAUKXSAKSA-N 0 0 316.401 2.158 10 30 DEEERN C=CC(C)(C)CN1C(=O)N[C@H](Cc2cccc(OC)c2)C1=O ZINC000629475622 367212870 /nfs/dbraw/zinc/21/28/70/367212870.db2.gz PWTMWRZUBYLKAM-CQSZACIVSA-N 0 0 302.374 2.370 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1C[C@@H](OC)C1 ZINC000629818697 367338678 /nfs/dbraw/zinc/33/86/78/367338678.db2.gz BFYDEFHYUOAYAQ-XBXGTLAGSA-N 0 0 305.374 2.415 10 30 DEEERN Cc1c(NC(=O)c2ccc(C#N)n2C)n(C)nc1C(F)(F)F ZINC000450894169 242367976 /nfs/dbraw/zinc/36/79/76/242367976.db2.gz UBJUQRNHTUYTRN-UHFFFAOYSA-N 0 0 311.267 2.210 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2cccc(OC)c2OC)C1=O ZINC000630967824 367941425 /nfs/dbraw/zinc/94/14/25/367941425.db2.gz QDXIOSNOWIIKQL-LBPRGKRZSA-N 0 0 304.346 2.090 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2csc([C@H](C)OC)n2)C1=O ZINC000630977234 367947986 /nfs/dbraw/zinc/94/79/86/367947986.db2.gz HFAKKELLXWAOJU-GXSJLCMTSA-N 0 0 309.391 2.237 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000630980772 367948627 /nfs/dbraw/zinc/94/86/27/367948627.db2.gz CJDCXVRMLLEOBN-GFCCVEGCSA-N 0 0 321.764 2.165 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@H](OC)c2cccc(OC)c2)C1=O ZINC000630985874 367951590 /nfs/dbraw/zinc/95/15/90/367951590.db2.gz LLCALJRYBKROKT-CABCVRRESA-N 0 0 318.373 2.269 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2COc3cc(F)ccc3C2)C1=O ZINC000630986271 367951634 /nfs/dbraw/zinc/95/16/34/367951634.db2.gz IIIYHBJDVOPCFK-OLZOCXBDSA-N 0 0 304.321 2.016 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H](Cc2ccccc2)OC)C1=O ZINC000630986044 367952210 /nfs/dbraw/zinc/95/22/10/367952210.db2.gz YGIIYGWKDHICDF-CABCVRRESA-N 0 0 302.374 2.131 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2c(C3CCC3)cnn2C)C1=O ZINC000630987389 367953123 /nfs/dbraw/zinc/95/31/23/367953123.db2.gz OWWPWHYOZVYLEL-CYBMUJFWSA-N 0 0 302.378 2.074 10 30 DEEERN C=CCc1ccc(OC[C@@H](O)CC2(O)CCOCC2)c(OC)c1 ZINC000631000752 367961256 /nfs/dbraw/zinc/96/12/56/367961256.db2.gz DIXZKQCWNYFPET-HNNXBMFYSA-N 0 0 322.401 2.095 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2c1c(F)c(C)ccc1S(N)(=O)=O ZINC000631371441 368184078 /nfs/dbraw/zinc/18/40/78/368184078.db2.gz FAPYFHLDQGBBMF-TXEJJXNPSA-N 0 0 310.394 2.469 10 30 DEEERN C=C1CC(C)(C(=O)NCC(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000631649273 368325820 /nfs/dbraw/zinc/32/58/20/368325820.db2.gz UOAZNHRHTWRMGQ-UHFFFAOYSA-N 0 0 318.373 2.115 10 30 DEEERN CSc1ccccc1C(=O)Nc1ncc(C#CCO)s1 ZINC000092232627 193177310 /nfs/dbraw/zinc/17/73/10/193177310.db2.gz PVEVDZVXARWKHJ-UHFFFAOYSA-N 0 0 304.396 2.461 10 30 DEEERN O=C(Nc1ncc(C#CCO)s1)[C@@H]1CSc2ccccc21 ZINC000092239864 193178879 /nfs/dbraw/zinc/17/88/79/193178879.db2.gz OMCAWJUXPRWFMU-GFCCVEGCSA-N 0 0 316.407 2.315 10 30 DEEERN C=C1CC(C)(C(=O)N2CCOC[C@H]2CC(=O)c2ccco2)C1 ZINC000631826438 368405594 /nfs/dbraw/zinc/40/55/94/368405594.db2.gz NBYPZGVXTGJTLD-CYBMUJFWSA-N 0 0 303.358 2.436 10 30 DEEERN CCCN[C@]1(C#N)CC[C@@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093806731 193308914 /nfs/dbraw/zinc/30/89/14/193308914.db2.gz OCHXOZMXVNCLIT-QMTHXVAHSA-N 0 0 302.407 2.259 10 30 DEEERN CC(C)OCCS(=O)(=O)NC1(C#N)CCCCCCC1 ZINC000093666036 193287819 /nfs/dbraw/zinc/28/78/19/193287819.db2.gz ZJSLNHVIVQVKHV-UHFFFAOYSA-N 0 0 302.440 2.337 10 30 DEEERN O=C(Nc1ccc2c(c1)OCO2)c1csc(C#CCO)c1 ZINC000093973880 193333173 /nfs/dbraw/zinc/33/31/73/193333173.db2.gz PIOSAHJZFUNBSC-UHFFFAOYSA-N 0 0 301.323 2.073 10 30 DEEERN N#Cc1ccccc1NC(=O)C[S@@](=O)c1cccc(F)c1 ZINC000094627040 193385567 /nfs/dbraw/zinc/38/55/67/193385567.db2.gz KEAORIGCWYKJLX-NRFANRHFSA-N 0 0 302.330 2.444 10 30 DEEERN OCC#Cc1cccc(O[C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000094408405 193367968 /nfs/dbraw/zinc/36/79/68/193367968.db2.gz AVCMRGJANNOOCB-DLBZAZTESA-N 0 0 304.411 2.464 10 30 DEEERN Cc1cc(C(=O)NCc2scnc2C)sc1C#CCCO ZINC000094535366 193377442 /nfs/dbraw/zinc/37/74/42/193377442.db2.gz HSJRMTQAQZIXHM-UHFFFAOYSA-N 0 0 320.439 2.485 10 30 DEEERN C=CCN(C)c1nnc([C@@]2(C)CCCO2)n1CCCOCC ZINC000453474418 245150611 /nfs/dbraw/zinc/15/06/11/245150611.db2.gz HNHALULSOYCGLC-MRXNPFEDSA-N 0 0 308.426 2.353 10 30 DEEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000453725450 245263764 /nfs/dbraw/zinc/26/37/64/245263764.db2.gz CFOXPDNPKBECQT-GFCCVEGCSA-N 0 0 300.358 2.225 10 30 DEEERN C=CCNC(=O)NC(=O)[C@@H](C)Nc1cc(C)c(OC)cc1C ZINC000278175861 214004598 /nfs/dbraw/zinc/00/45/98/214004598.db2.gz FITAOYLXVGXWJO-GFCCVEGCSA-N 0 0 305.378 2.124 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000278191346 214014360 /nfs/dbraw/zinc/01/43/60/214014360.db2.gz DWVOSSJNTXOJEH-ZIAGYGMSSA-N 0 0 309.387 2.010 10 30 DEEERN C=CCCCN(C)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000161461878 197496184 /nfs/dbraw/zinc/49/61/84/197496184.db2.gz JXYVNZQPRQUUSA-ZDUSSCGKSA-N 0 0 305.426 2.324 10 30 DEEERN O=S(=O)(Nc1cc(C#CCO)ccc1Cl)C1CCCC1 ZINC000097835918 193763829 /nfs/dbraw/zinc/76/38/29/193763829.db2.gz QCBHUCSYOWJEGY-UHFFFAOYSA-N 0 0 313.806 2.368 10 30 DEEERN C=CC[C@@H](CC)NC(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000454910898 246252075 /nfs/dbraw/zinc/25/20/75/246252075.db2.gz LQZLNLGLFQXFMR-QWHCGFSZSA-N 0 0 322.430 2.211 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)C(=O)NCCc1ccccc1 ZINC000456416936 247176148 /nfs/dbraw/zinc/17/61/48/247176148.db2.gz PXZRCCXHVRNZEB-GJZGRUSLSA-N 0 0 302.418 2.452 10 30 DEEERN C=C(Cl)CNC(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000268143768 206489169 /nfs/dbraw/zinc/48/91/69/206489169.db2.gz NTXKTZVYZGLSSL-LBPRGKRZSA-N 0 0 309.797 2.326 10 30 DEEERN C=CCC[C@H](CO)NC(=O)NCCc1ccc2ccccc2n1 ZINC000458089057 248143745 /nfs/dbraw/zinc/14/37/45/248143745.db2.gz LIJRQDZVXSVEDT-MRXNPFEDSA-N 0 0 313.401 2.404 10 30 DEEERN C=C(C)COCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000458552760 248369838 /nfs/dbraw/zinc/36/98/38/248369838.db2.gz CQSLMOKHJPHERF-ARFHVFGLSA-N 0 0 310.438 2.304 10 30 DEEERN CC#CCCNC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000458650774 248421508 /nfs/dbraw/zinc/42/15/08/248421508.db2.gz INDUTDAYKPITCX-VIFPVBQESA-N 0 0 311.183 2.013 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N1CCC(OCC(C)C)CC1 ZINC000459821491 248681457 /nfs/dbraw/zinc/68/14/57/248681457.db2.gz LCJLHRXYQDDMFH-UHFFFAOYSA-N 0 0 310.438 2.075 10 30 DEEERN CC(C)=C1SC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O ZINC000039794334 183021906 /nfs/dbraw/zinc/02/19/06/183021906.db2.gz FSVHVIKCHQJIPZ-UHFFFAOYSA-N 0 0 315.354 2.486 10 30 DEEERN CCN(CC(F)(F)F)C(=O)c1cc(F)ccc1C#CCO ZINC000042797453 183310709 /nfs/dbraw/zinc/31/07/09/183310709.db2.gz CWAOHYJJLOXSCV-UHFFFAOYSA-N 0 0 303.255 2.194 10 30 DEEERN C#CCN(C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1)C1CC1 ZINC000274085844 211340876 /nfs/dbraw/zinc/34/08/76/211340876.db2.gz HWAHQAUCUUIRML-ZDUSSCGKSA-N 0 0 309.373 2.136 10 30 DEEERN N#Cc1ccc(CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c(F)c1 ZINC000284648852 218114675 /nfs/dbraw/zinc/11/46/75/218114675.db2.gz NCLVVJFEIMGRIF-USXIJHARSA-N 0 0 304.365 2.059 10 30 DEEERN N#C[C@H]1CN(C(=O)N[C@H](c2ccco2)c2ccccc2)CCO1 ZINC000106329512 194197229 /nfs/dbraw/zinc/19/72/29/194197229.db2.gz HALASNXXPOHAPE-HOCLYGCPSA-N 0 0 311.341 2.303 10 30 DEEERN COC[C@H]1CN(c2ccc([N+](=O)[O-])c(C#N)c2)CC(C)(C)O1 ZINC000285112672 218294917 /nfs/dbraw/zinc/29/49/17/218294917.db2.gz RDMVAEKOLKPUKO-CYBMUJFWSA-N 0 0 305.334 2.097 10 30 DEEERN CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(N)cc1C#N ZINC000049117816 183713900 /nfs/dbraw/zinc/71/39/00/183713900.db2.gz PRFPCGVZERLQRH-SMDDNHRTSA-N 0 0 307.419 2.388 10 30 DEEERN N#Cc1cnccc1NCCCCn1cc(Br)cn1 ZINC000553565800 291745784 /nfs/dbraw/zinc/74/57/84/291745784.db2.gz OEUNIJYTMRMEJH-UHFFFAOYSA-N 0 0 320.194 2.226 10 30 DEEERN C[C@H](C#N)N1CCN(C(=O)c2cc3c(s2)CCCC3)CC1 ZINC000109444697 194263955 /nfs/dbraw/zinc/26/39/55/194263955.db2.gz SOUAGMDFYUUMAJ-GFCCVEGCSA-N 0 0 303.431 2.297 10 30 DEEERN C[C@H](C#N)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000109445206 194263973 /nfs/dbraw/zinc/26/39/73/194263973.db2.gz CCAPQCWEVXDZMT-LLVKDONJSA-N 0 0 322.206 2.119 10 30 DEEERN CC[C@@H](C#N)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000109446376 194264191 /nfs/dbraw/zinc/26/41/91/194264191.db2.gz JGOMKFNFDWULRK-HNNXBMFYSA-N 0 0 305.809 2.329 10 30 DEEERN C[C@@H](C#N)N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000109453499 194264756 /nfs/dbraw/zinc/26/47/56/194264756.db2.gz WIPYLABCQDFGPX-NSHDSACASA-N 0 0 308.769 2.278 10 30 DEEERN N#CCc1ccc(NS(=O)(=O)Cc2ccccc2N)cc1 ZINC000051601081 183831645 /nfs/dbraw/zinc/83/16/45/183831645.db2.gz ZWXKEIVEYCFSPI-UHFFFAOYSA-N 0 0 301.371 2.277 10 30 DEEERN C=CCN(CC(=O)OCC)S(=O)(=O)c1cc(C)sc1C ZINC000110055916 194307883 /nfs/dbraw/zinc/30/78/83/194307883.db2.gz LQUIYRKTXYADJJ-UHFFFAOYSA-N 0 0 317.432 2.105 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc2oc(C(=O)OC)cc2c1 ZINC000273451423 210785768 /nfs/dbraw/zinc/78/57/68/210785768.db2.gz CHSASZUFALMNCL-LBPRGKRZSA-N 0 0 318.329 2.278 10 30 DEEERN CC[C@@]1(c2ccc(OC)c(C)c2)NC(=O)N(CCCC#N)C1=O ZINC000057849942 184058026 /nfs/dbraw/zinc/05/80/26/184058026.db2.gz UCBFWAADHUJIJV-KRWDZBQOSA-N 0 0 315.373 2.465 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000058452453 184119307 /nfs/dbraw/zinc/11/93/07/184119307.db2.gz DLCBDCOVKKSQFR-UHFFFAOYSA-N 0 0 314.389 2.199 10 30 DEEERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CCC#N ZINC000060617614 184152978 /nfs/dbraw/zinc/15/29/78/184152978.db2.gz KKULDPAMCNIUBI-UKRRQHHQSA-N 0 0 301.390 2.203 10 30 DEEERN C#CCN[C@@](C)(C(=O)OC)c1ccc(F)c(Br)c1 ZINC000061689540 184183033 /nfs/dbraw/zinc/18/30/33/184183033.db2.gz CXBKACBSLQINIW-CYBMUJFWSA-N 0 0 314.154 2.199 10 30 DEEERN CN(c1cccc(C#N)c1)S(=O)(=O)Cc1cccc(N)c1 ZINC000061979718 184199500 /nfs/dbraw/zinc/19/95/00/184199500.db2.gz YMOBIXGLTMVSDP-UHFFFAOYSA-N 0 0 301.371 2.107 10 30 DEEERN CN(c1ccc(C#N)cc1)S(=O)(=O)Cc1ccccc1N ZINC000061979702 184199732 /nfs/dbraw/zinc/19/97/32/184199732.db2.gz PZIVHTRIFQELQP-UHFFFAOYSA-N 0 0 301.371 2.107 10 30 DEEERN C=C(C)COc1cccc(NC(=O)N[C@@H](C)Cn2cncn2)c1 ZINC000112424341 194473203 /nfs/dbraw/zinc/47/32/03/194473203.db2.gz CBMNGAKPFNYQGD-ZDUSSCGKSA-N 0 0 315.377 2.443 10 30 DEEERN O=C(NCCC(F)(F)F)c1cc(F)ccc1C#CCCO ZINC000063102081 184271183 /nfs/dbraw/zinc/27/11/83/184271183.db2.gz CGOSGLQKIJBABT-UHFFFAOYSA-N 0 0 303.255 2.242 10 30 DEEERN CCN(c1cccc(N)c1)S(=O)(=O)c1cccc(C#N)c1 ZINC000063107821 184271257 /nfs/dbraw/zinc/27/12/57/184271257.db2.gz PVPVMGJUFOISIP-UHFFFAOYSA-N 0 0 301.371 2.356 10 30 DEEERN CCC(C)(C)NC(=O)CN(CCOC)Cc1ccc(C#N)cc1 ZINC000063754181 184287978 /nfs/dbraw/zinc/28/79/78/184287978.db2.gz LQKHQEWIKUEWFA-UHFFFAOYSA-N 0 0 317.433 2.311 10 30 DEEERN COc1ccc2c(c1)OC[C@@H](NC(=O)Cc1cccc(C#N)c1)C2 ZINC000536621914 284966939 /nfs/dbraw/zinc/96/69/39/284966939.db2.gz UDAFPYJOBWVWCI-INIZCTEOSA-N 0 0 322.364 2.229 10 30 DEEERN Cc1ccc(C(=O)N[C@H](C)c2nccs2)c(C#CCO)c1 ZINC000161319799 197484668 /nfs/dbraw/zinc/48/46/68/197484668.db2.gz COYSEQQEHVMTON-GFCCVEGCSA-N 0 0 300.383 2.286 10 30 DEEERN CNc1c(C(=O)N2CCC(C)(C#N)CC2)cccc1[N+](=O)[O-] ZINC000360957054 533041239 /nfs/dbraw/zinc/04/12/39/533041239.db2.gz YCGMMYVKIPRQOK-UHFFFAOYSA-N 0 0 302.334 2.402 10 30 DEEERN C=CCN(CCO)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000158726551 197296998 /nfs/dbraw/zinc/29/69/98/197296998.db2.gz IPXAPFCHMIBRDT-UHFFFAOYSA-N 0 0 310.202 2.162 10 30 DEEERN N#CCCCn1ncc(Br)c(Br)c1=O ZINC000157909868 197226790 /nfs/dbraw/zinc/22/67/90/197226790.db2.gz GFZIKVPAOVMILI-UHFFFAOYSA-N 0 0 320.972 2.072 10 30 DEEERN CO[C@H](C)c1noc(CN2CCC[C@@]3(CCCCO3)[C@H]2C#N)n1 ZINC000369312030 533128719 /nfs/dbraw/zinc/12/87/19/533128719.db2.gz KEVGGIGSQGMQPA-IOASZLSFSA-N 0 0 320.393 2.204 10 30 DEEERN COC(=O)C(C)(C)CNc1ncc(Br)cc1C#N ZINC000297394261 533140946 /nfs/dbraw/zinc/14/09/46/533140946.db2.gz FFOFOFZOCODEOH-UHFFFAOYSA-N 0 0 312.167 2.327 10 30 DEEERN COc1cnccc1[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000189152956 533141386 /nfs/dbraw/zinc/14/13/86/533141386.db2.gz JIYJYSGPGNAWLZ-LLVKDONJSA-N 0 0 317.370 2.001 10 30 DEEERN N#Cc1cc(C[S@](=O)c2ccc3c(c2)OCCO3)ccn1 ZINC000156388415 197109190 /nfs/dbraw/zinc/10/91/90/197109190.db2.gz QRCYUAGABPJROC-OAQYLSRUSA-N 0 0 300.339 2.032 10 30 DEEERN O=C(NCc1ccccc1C#CCCO)[C@H]1CCCCS1 ZINC000156272953 197100638 /nfs/dbraw/zinc/10/06/38/197100638.db2.gz CITPJBGVXQIEOK-MRXNPFEDSA-N 0 0 303.427 2.322 10 30 DEEERN C[C@H]1CN(C)C[C@H](C)N1C(=O)CSCc1ccc(C#N)cc1 ZINC000155208458 197033419 /nfs/dbraw/zinc/03/34/19/197033419.db2.gz QXNOXTMTGIDSNV-KBPBESRZSA-N 0 0 317.458 2.342 10 30 DEEERN C[C@@H]1CN(C(=O)Cc2cccc(C#N)c2)c2ccccc2C(=O)N1 ZINC000544005839 285326954 /nfs/dbraw/zinc/32/69/54/285326954.db2.gz YEMJXZSMLVLRQM-CYBMUJFWSA-N 0 0 319.364 2.266 10 30 DEEERN C=CCO[C@@H]1CN(C(=O)Cc2ccsc2)[C@H]2CCCO[C@@H]12 ZINC000253372570 257106072 /nfs/dbraw/zinc/10/60/72/257106072.db2.gz FUOSNZQHZOSRQK-SQWLQELKSA-N 0 0 307.415 2.252 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000120968952 195273403 /nfs/dbraw/zinc/27/34/03/195273403.db2.gz UTEIYFKNBFJXOB-UHFFFAOYSA-N 0 0 311.385 2.094 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCN(CC(F)F)[C@H](CC)C1 ZINC000125825022 195788385 /nfs/dbraw/zinc/78/83/85/195788385.db2.gz GEYAPWIELZYKDP-CHWSQXEVSA-N 0 0 304.381 2.156 10 30 DEEERN Cc1cnc([C@H](C)NC(=O)c2csc(C#CCO)c2)s1 ZINC000125592523 195766493 /nfs/dbraw/zinc/76/64/93/195766493.db2.gz XVMVVGNNZZBIOK-JTQLQIEISA-N 0 0 306.412 2.348 10 30 DEEERN C[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(C#N)s2)C[C@H](C)O1 ZINC000355510523 133030755 /nfs/dbraw/zinc/03/07/55/133030755.db2.gz KEUINEAUYZYWOO-JGPRNRPPSA-N 0 0 314.432 2.102 10 30 DEEERN CCOCc1nc([C@H](C)NC(=O)c2ccc(F)c(C#N)c2)no1 ZINC000362152879 133214168 /nfs/dbraw/zinc/21/41/68/133214168.db2.gz DCVKUUGZDFRADG-VIFPVBQESA-N 0 0 318.308 2.108 10 30 DEEERN N#Cc1ccccc1/C=C/C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000172397878 144820265 /nfs/dbraw/zinc/82/02/65/144820265.db2.gz JOBLLMRHENTGSH-KIUWMYQTSA-N 0 0 321.384 2.102 10 30 DEEERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Cc1ccc(C#N)cc1 ZINC000173435114 144842237 /nfs/dbraw/zinc/84/22/37/144842237.db2.gz DBVBJJSELSSZQF-LBPRGKRZSA-N 0 0 310.401 2.199 10 30 DEEERN N#Cc1ccc(CC(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000173880356 144851539 /nfs/dbraw/zinc/85/15/39/144851539.db2.gz NFPWOIJOMCIIED-UHFFFAOYSA-N 0 0 305.337 2.168 10 30 DEEERN N#Cc1ccc(CCC(=O)N[C@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000178352117 144857198 /nfs/dbraw/zinc/85/71/98/144857198.db2.gz SFFZXBJIKRELNZ-PKOBYXMFSA-N 0 0 306.365 2.265 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000178543349 144860774 /nfs/dbraw/zinc/86/07/74/144860774.db2.gz PGOUMNUAFVERBC-AWEZNQCLSA-N 0 0 310.361 2.327 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000178915038 144868098 /nfs/dbraw/zinc/86/80/98/144868098.db2.gz PCURLETVVMGSRU-HUUCEWRRSA-N 0 0 320.414 2.056 10 30 DEEERN Cc1nccnc1[C@H](C)Nc1cnn(-c2ncccc2C#N)c1 ZINC000188465677 145012798 /nfs/dbraw/zinc/01/27/98/145012798.db2.gz YHCXHYUZNKOSJV-LBPRGKRZSA-N 0 0 305.345 2.411 10 30 DEEERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(F)cc2C#N)C1 ZINC000189317029 145025718 /nfs/dbraw/zinc/02/57/18/145025718.db2.gz DJPVZQARUCINHM-LSDHHAIUSA-N 0 0 316.336 2.351 10 30 DEEERN Cc1cc(NC(=O)c2ccnc(C#N)c2)n(-c2ccccn2)n1 ZINC000193142500 145083311 /nfs/dbraw/zinc/08/33/11/145083311.db2.gz JBQWDUJPBXAKEX-UHFFFAOYSA-N 0 0 304.313 2.095 10 30 DEEERN C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccnc(C#N)c1 ZINC000193558630 145087117 /nfs/dbraw/zinc/08/71/17/145087117.db2.gz JAMNKTXKVIZWKU-NSHDSACASA-N 0 0 311.316 2.484 10 30 DEEERN C[C@@H](NC(=O)c1ccnc(C#N)c1)c1cn(-c2ccccc2)nn1 ZINC000193545117 145087255 /nfs/dbraw/zinc/08/72/55/145087255.db2.gz PLJXLCRVIYEKTB-GFCCVEGCSA-N 0 0 318.340 2.025 10 30 DEEERN Cc1cnn(-c2ccncc2NC(=O)c2ccnc(C#N)c2)c1 ZINC000193669935 145088834 /nfs/dbraw/zinc/08/88/34/145088834.db2.gz NQCHGWNKGHETLY-UHFFFAOYSA-N 0 0 304.313 2.095 10 30 DEEERN C[C@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)CC(C)(C)O1 ZINC000246573393 145106822 /nfs/dbraw/zinc/10/68/22/145106822.db2.gz VONJLYDBRUNHDV-AAEUAGOBSA-N 0 0 319.430 2.224 10 30 DEEERN Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C#N)ccn3)cn2)n1 ZINC000357380638 147097561 /nfs/dbraw/zinc/09/75/61/147097561.db2.gz KZFLNYCBACQJLD-UHFFFAOYSA-N 0 0 318.340 2.403 10 30 DEEERN CCOCc1nc([C@@H](C)NC(=O)c2ccc(C#N)s2)no1 ZINC000358391552 147125166 /nfs/dbraw/zinc/12/51/66/147125166.db2.gz WMWIXYRVRBJMDE-MRVPVSSYSA-N 0 0 306.347 2.030 10 30 DEEERN N#Cc1ccsc1C(=O)Nc1ccncc1Br ZINC000359369809 147316440 /nfs/dbraw/zinc/31/64/40/147316440.db2.gz XZLFCPNFEKSMHJ-UHFFFAOYSA-N 0 0 308.160 2.451 10 30 DEEERN CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(c2ccc(C#N)cc2)C1 ZINC000372281142 148188916 /nfs/dbraw/zinc/18/89/16/148188916.db2.gz JUHTXOBLTGORIL-AWEZNQCLSA-N 0 0 323.400 2.367 10 30 DEEERN Cc1cc(C#N)cc(N2CCN(C(=O)C3CCCCC3)CC2)n1 ZINC000408101773 148563755 /nfs/dbraw/zinc/56/37/55/148563755.db2.gz SXSIDFKVCQAGHH-UHFFFAOYSA-N 0 0 312.417 2.491 10 30 DEEERN CCn1cnnc1[C@@H]1CCCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000110755507 401693842 /nfs/dbraw/zinc/69/38/42/401693842.db2.gz FDPQATLAHBCDRL-CQSZACIVSA-N 0 0 315.421 2.478 10 30 DEEERN C=CCCOCCNC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000127027239 401717484 /nfs/dbraw/zinc/71/74/84/401717484.db2.gz KAXZCQQNRAFNHR-OAHLLOKOSA-N 0 0 308.378 2.264 10 30 DEEERN COCCNC(=S)NN=C(C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000008774643 401756192 /nfs/dbraw/zinc/75/61/92/401756192.db2.gz ZRUURGPWZJQDJB-XNTDXEJSSA-N 0 0 310.379 2.149 10 30 DEEERN N#Cc1ccc(NC(=O)CN2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000127957565 401757181 /nfs/dbraw/zinc/75/71/81/401757181.db2.gz PSLLQUUJPAZKCS-QAPCUYQASA-N 0 0 313.401 2.124 10 30 DEEERN C=C[C@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000128490105 401779459 /nfs/dbraw/zinc/77/94/59/401779459.db2.gz ZTLKBFHGTQYANZ-BFHYXJOUSA-N 0 0 318.421 2.069 10 30 DEEERN COc1cc(F)ccc1N1CCN(C(=O)C(C)(C)C#N)CC1 ZINC000115126072 401819280 /nfs/dbraw/zinc/81/92/80/401819280.db2.gz YUJFLRZEWTZHSA-UHFFFAOYSA-N 0 0 305.353 2.033 10 30 DEEERN COCc1ccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)o1 ZINC000130558588 401835506 /nfs/dbraw/zinc/83/55/06/401835506.db2.gz XTXDZXZHBSXJGR-UHFFFAOYSA-N 0 0 312.325 2.201 10 30 DEEERN N#Cc1ccc(OCCNc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000078403611 401849849 /nfs/dbraw/zinc/84/98/49/401849849.db2.gz BTFHJRLLJCXOJY-UHFFFAOYSA-N 0 0 306.325 2.286 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCN(CCOC)[C@@H](C)C2)cc1 ZINC000117289383 401872983 /nfs/dbraw/zinc/87/29/83/401872983.db2.gz YVGXIYXVRKKASE-HNNXBMFYSA-N 0 0 318.417 2.044 10 30 DEEERN C=CC[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000116987943 401866660 /nfs/dbraw/zinc/86/66/60/401866660.db2.gz GHMHJXNRNZFODE-JSGCOSHPSA-N 0 0 302.374 2.078 10 30 DEEERN C=C[C@](C)(CC)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000134905909 401919381 /nfs/dbraw/zinc/91/93/81/401919381.db2.gz FVCPZMJDMSDLJY-IAQYHMDHSA-N 0 0 310.419 2.114 10 30 DEEERN N#CCOc1ccccc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000119405146 401947984 /nfs/dbraw/zinc/94/79/84/401947984.db2.gz HNGXUYJLHNQUHP-KSSFIOAISA-N 0 0 314.385 2.356 10 30 DEEERN C=CCN(Cc1nc2cc(F)ccc2o1)[C@@H]1CCS(=O)(=O)C1 ZINC000151258226 402026554 /nfs/dbraw/zinc/02/65/54/402026554.db2.gz WIVYLQGXDRMIJW-GFCCVEGCSA-N 0 0 324.377 2.142 10 30 DEEERN CN(CC(=O)N(CCC#N)c1ccccc1)C[C@@H]1CCCO1 ZINC000052102655 402039479 /nfs/dbraw/zinc/03/94/79/402039479.db2.gz UVDSBNHPBFXLAO-INIZCTEOSA-N 0 0 301.390 2.044 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000053045951 402050453 /nfs/dbraw/zinc/05/04/53/402050453.db2.gz SNIGEINMERBLMK-CJNGLKHVSA-N 0 0 322.364 2.445 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCCCOC[C@H]1CCCO1 ZINC000122753529 402093055 /nfs/dbraw/zinc/09/30/55/402093055.db2.gz CEMHFYAUSFJSTA-OAHLLOKOSA-N 0 0 302.374 2.182 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000152958926 402119189 /nfs/dbraw/zinc/11/91/89/402119189.db2.gz QWZCNYQUZGMNBK-OAHLLOKOSA-N 0 0 306.369 2.270 10 30 DEEERN N#CCOc1ccc(/C=C/C(=O)N2CC[C@@]3(CCOC3)C2)cc1 ZINC000153312071 402138957 /nfs/dbraw/zinc/13/89/57/402138957.db2.gz JSAXMDVGXWKFNW-HNSSHINMSA-N 0 0 312.369 2.241 10 30 DEEERN COc1ccc(CN2C(=O)C[C@@](C)(C(C)C)C2=O)cc1C#N ZINC000153344144 402140483 /nfs/dbraw/zinc/14/04/83/402140483.db2.gz VETDYUKJSAADOP-KRWDZBQOSA-N 0 0 300.358 2.488 10 30 DEEERN C=CCCOCCNC(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000124893530 402202800 /nfs/dbraw/zinc/20/28/00/402202800.db2.gz ZSBBOQZFIVFNGU-UHFFFAOYSA-N 0 0 305.378 2.384 10 30 DEEERN Cc1ccc2nc(CSCC(=O)N[C@H](C#N)C3CC3)cn2c1 ZINC000108904700 402264258 /nfs/dbraw/zinc/26/42/58/402264258.db2.gz XZRZYZRJLYKZDM-CQSZACIVSA-N 0 0 314.414 2.294 10 30 DEEERN C#CCOc1cccc(NC(=O)N2CCN(CC(F)F)CC2)c1 ZINC000108516731 402255475 /nfs/dbraw/zinc/25/54/75/402255475.db2.gz BPOINBOWNTTWHF-UHFFFAOYSA-N 0 0 323.343 2.113 10 30 DEEERN COc1ccc(C(=O)CCCC(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000108829087 402262157 /nfs/dbraw/zinc/26/21/57/402262157.db2.gz MTZYGDUJUDVFDY-HNNXBMFYSA-N 0 0 300.358 2.467 10 30 DEEERN N#C[C@H](NC(=O)CCC(=O)CCC(=O)c1cccs1)C1CC1 ZINC000108834904 402262434 /nfs/dbraw/zinc/26/24/34/402262434.db2.gz RUVRMKDSKSYMBF-ZDUSSCGKSA-N 0 0 318.398 2.479 10 30 DEEERN CCc1ccccc1N1C[C@@H](C(=O)N[C@@H](C#N)C2CC2)CC1=O ZINC000108833745 402262561 /nfs/dbraw/zinc/26/25/61/402262561.db2.gz KPROWLZXTDMTSW-GJZGRUSLSA-N 0 0 311.385 2.020 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1ccccc1OC(F)F ZINC000176614774 402323582 /nfs/dbraw/zinc/32/35/82/402323582.db2.gz DUGFZHVGYWUGTL-UHFFFAOYSA-N 0 0 305.284 2.428 10 30 DEEERN C[C@H](CCNC(=O)C#Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000176173862 402287029 /nfs/dbraw/zinc/28/70/29/402287029.db2.gz FPNRECAGLQJDNX-CQSZACIVSA-N 0 0 316.401 2.458 10 30 DEEERN CC(C)(O)C#Cc1ccc(C(=O)N[C@@H]2COc3ccccc32)o1 ZINC000219058523 402297311 /nfs/dbraw/zinc/29/73/11/402297311.db2.gz WFSVHRNPWWTIJI-CQSZACIVSA-N 0 0 311.337 2.266 10 30 DEEERN COc1ccc2c(c1)[C@@]1(CC2)NC(=O)N(CCCCC#N)C1=O ZINC000160478060 402347174 /nfs/dbraw/zinc/34/71/74/402347174.db2.gz XQXYGXVKGGIOBR-QGZVFWFLSA-N 0 0 313.357 2.082 10 30 DEEERN Cc1nc(C[C@@H]2CCCN(C(=O)c3cc(C#N)cs3)C2)no1 ZINC000177042609 402362831 /nfs/dbraw/zinc/36/28/31/402362831.db2.gz WRMOCTVLWKOYCY-NSHDSACASA-N 0 0 316.386 2.406 10 30 DEEERN Clc1ccc(C#CCN2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000177139810 402374270 /nfs/dbraw/zinc/37/42/70/402374270.db2.gz LBOZMONFMZJKET-KRWDZBQOSA-N 0 0 315.804 2.289 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000185911074 402388636 /nfs/dbraw/zinc/38/86/36/402388636.db2.gz ONVREKPPEAQCDG-MNOVXSKESA-N 0 0 306.328 2.258 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161194443 402376987 /nfs/dbraw/zinc/37/69/87/402376987.db2.gz CBBXAVUULUXSDF-HNNXBMFYSA-N 0 0 317.437 2.371 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N(C[C@H]1CCCO1)c1ccncc1 ZINC000177396039 402397977 /nfs/dbraw/zinc/39/79/77/402397977.db2.gz CRDMVXNIQHUKSN-OAHLLOKOSA-N 0 0 310.357 2.118 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCCN(c2ccccn2)CC1 ZINC000186397277 402428156 /nfs/dbraw/zinc/42/81/56/402428156.db2.gz BFFYNNNZGGKZHY-OAHLLOKOSA-N 0 0 303.406 2.102 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1cc(COC(C)(C)C)on1 ZINC000186481326 402435320 /nfs/dbraw/zinc/43/53/20/402435320.db2.gz FOMCZWBXWXRXQP-UHFFFAOYSA-N 0 0 316.361 2.130 10 30 DEEERN C=CC1CCN(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000161484608 402389282 /nfs/dbraw/zinc/38/92/82/402389282.db2.gz VJBYFCXFCBZBBI-AWEZNQCLSA-N 0 0 317.437 2.324 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000185923847 402389863 /nfs/dbraw/zinc/38/98/63/402389863.db2.gz MXNNRZJWTQZRKR-GOSISDBHSA-N 0 0 307.353 2.168 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000186666878 402453631 /nfs/dbraw/zinc/45/36/31/402453631.db2.gz PLVMJAKRUQGLMN-LLVKDONJSA-N 0 0 323.336 2.062 10 30 DEEERN COc1c(C)cc(CN(C)S(=O)(=O)CC2(C#N)CC2)cc1C ZINC000165111586 402473304 /nfs/dbraw/zinc/47/33/04/402473304.db2.gz XLWDGMDXZAHOEW-UHFFFAOYSA-N 0 0 322.430 2.377 10 30 DEEERN CC[C@H](NS(=O)(=O)CC1(C#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000165873289 402479445 /nfs/dbraw/zinc/47/94/45/402479445.db2.gz FEHHJKDPLZZGFW-ZDUSSCGKSA-N 0 0 323.374 2.269 10 30 DEEERN N#CCCCOc1cccc(CN2CCO[C@@]3(CCOC3)C2)c1 ZINC000187532903 402503923 /nfs/dbraw/zinc/50/39/23/402503923.db2.gz QUTZAJQHTBZDGS-SFHVURJKSA-N 0 0 316.401 2.360 10 30 DEEERN CNC(=O)[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)C(C)C ZINC000178821418 402543801 /nfs/dbraw/zinc/54/38/01/402543801.db2.gz MQXCRKDVDAJDJX-ZDUSSCGKSA-N 0 0 319.409 2.007 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000189687665 402552049 /nfs/dbraw/zinc/55/20/49/402552049.db2.gz RHOSCUAOBRZWSI-IRXDYDNUSA-N 0 0 317.433 2.276 10 30 DEEERN Cc1cc(N2CC[C@H](Nc3cccc(C#N)c3C)C2=O)n(C)n1 ZINC000179055602 402568735 /nfs/dbraw/zinc/56/87/35/402568735.db2.gz PVWNBSPCDXUSGU-HNNXBMFYSA-N 0 0 309.373 2.126 10 30 DEEERN Cc1nc(C[C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)no1 ZINC000171245944 402570625 /nfs/dbraw/zinc/57/06/25/402570625.db2.gz DXIMQZMTLQFYIS-AWEZNQCLSA-N 0 0 310.357 2.345 10 30 DEEERN N#CCOc1ccc(CNC(=O)c2cnn3c2CCCC3)cc1 ZINC000179109103 402573307 /nfs/dbraw/zinc/57/33/07/402573307.db2.gz GJCCRLGPXURLDC-UHFFFAOYSA-N 0 0 310.357 2.052 10 30 DEEERN Cc1nc(C(=O)N(C)[C@@H]2CCCc3c2cnn3C)ccc1C#N ZINC000178651113 402521878 /nfs/dbraw/zinc/52/18/78/402521878.db2.gz IREFEMUWYDXVCG-OAHLLOKOSA-N 0 0 309.373 2.145 10 30 DEEERN Cc1cccc(S(=O)(=O)N2CCS[C@H](C)[C@H]2C)c1C#N ZINC000246372402 402527314 /nfs/dbraw/zinc/52/73/14/402527314.db2.gz YSEFTFJCRUXJTK-VXGBXAGGSA-N 0 0 310.444 2.381 10 30 DEEERN COc1ccc(F)cc1CNC(=O)COc1ccccc1C#N ZINC000189314903 402534205 /nfs/dbraw/zinc/53/42/05/402534205.db2.gz ZXZCNNZEAWMEPD-UHFFFAOYSA-N 0 0 314.316 2.401 10 30 DEEERN C[C@H](NCC(=O)NCC#N)c1c(Cl)ccc(F)c1Cl ZINC000179541627 402594269 /nfs/dbraw/zinc/59/42/69/402594269.db2.gz UDLHWNWISLUKGW-ZETCQYMHSA-N 0 0 304.152 2.423 10 30 DEEERN CC[C@H]1CN(C(=O)NCCCCC#N)CCN1CC(F)F ZINC000179650566 402597112 /nfs/dbraw/zinc/59/71/12/402597112.db2.gz GVPODZVGNAHARM-LBPRGKRZSA-N 0 0 302.369 2.051 10 30 DEEERN COc1cc(Cn2ccnc2C#N)c([N+](=O)[O-])cc1OC(F)F ZINC000179864255 402602132 /nfs/dbraw/zinc/60/21/32/402602132.db2.gz FFDOKKKCDYYNKU-UHFFFAOYSA-N 0 0 324.243 2.321 10 30 DEEERN Cc1nnc([C@@H](NC(=O)NCCCCC#N)c2ccccc2)[nH]1 ZINC000171689693 402610136 /nfs/dbraw/zinc/61/01/36/402610136.db2.gz FYIAMFBUHISPQK-AWEZNQCLSA-N 0 0 312.377 2.196 10 30 DEEERN C=C(C)CN(C)C(=O)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000180465861 402617539 /nfs/dbraw/zinc/61/75/39/402617539.db2.gz PIYKFLFIFCERSG-OAHLLOKOSA-N 0 0 301.390 2.111 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000180573398 402620224 /nfs/dbraw/zinc/62/02/24/402620224.db2.gz LXUIHUOZMCNIPD-UHFFFAOYSA-N 0 0 312.373 2.440 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]nc1C ZINC000171801683 402623399 /nfs/dbraw/zinc/62/33/99/402623399.db2.gz RKDDYBFWJIZXSH-UHFFFAOYSA-N 0 0 300.318 2.455 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCO[C@@H](c2nnc(CC)[nH]2)C1 ZINC000181101991 402635425 /nfs/dbraw/zinc/63/54/25/402635425.db2.gz VKWWCKMORRNWEF-QWHCGFSZSA-N 0 0 321.425 2.195 10 30 DEEERN N#Cc1cccc(NC(=O)CN2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000252644051 402659778 /nfs/dbraw/zinc/65/97/78/402659778.db2.gz NIQYXANCPDYWRN-MAUKXSAKSA-N 0 0 313.401 2.124 10 30 DEEERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1cc(C#N)ccc1C)CC2 ZINC000172295364 402648393 /nfs/dbraw/zinc/64/83/93/402648393.db2.gz HDEJKSZKLYWNCC-ZDUSSCGKSA-N 0 0 324.388 2.157 10 30 DEEERN C=CCNC(=O)CNC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000181644109 402652736 /nfs/dbraw/zinc/65/27/36/402652736.db2.gz TUYVIWFGQYCRGP-JKSUJKDBSA-N 0 0 300.402 2.332 10 30 DEEERN CN(Cc1cccnc1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000173794328 402713076 /nfs/dbraw/zinc/71/30/76/402713076.db2.gz XCIVEZMXZKWOPT-UHFFFAOYSA-N 0 0 310.357 2.174 10 30 DEEERN N#Cc1ccc(OCCNC(=O)[C@@H]2COc3ccccc32)cc1 ZINC000173887432 402717340 /nfs/dbraw/zinc/71/73/40/402717340.db2.gz DQZNBPYZWFMYHS-MRXNPFEDSA-N 0 0 308.337 2.229 10 30 DEEERN CN(C(=O)c1ccc(C2(C#N)CC2)cc1)C1(C(N)=O)CCCC1 ZINC000182407922 402687220 /nfs/dbraw/zinc/68/72/20/402687220.db2.gz SZEXHTJYZZJQTP-UHFFFAOYSA-N 0 0 311.385 2.112 10 30 DEEERN CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)[C@H]2C[C@H]2C2CC2)C1 ZINC000192974557 402759261 /nfs/dbraw/zinc/75/92/61/402759261.db2.gz BAGUHRNYCUFGPV-RYUDHWBXSA-N 0 0 306.362 2.089 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCCO[C@H](C)c1ccccc1 ZINC000182871167 402723161 /nfs/dbraw/zinc/72/31/61/402723161.db2.gz JEIHXOHDSJTDLP-GDBMZVCRSA-N 0 0 306.406 2.391 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)c2cc(C3CC3)on2)cn1 ZINC000183693356 402789206 /nfs/dbraw/zinc/78/92/06/402789206.db2.gz XOYHKAKMEIMBKM-UHFFFAOYSA-N 0 0 320.312 2.257 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCc1cccc(OCCC)c1 ZINC000183769906 402796711 /nfs/dbraw/zinc/79/67/11/402796711.db2.gz SQOZTVZARHYPFU-HNNXBMFYSA-N 0 0 306.406 2.254 10 30 DEEERN N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CNC(=O)C2)cc1 ZINC000194822914 402817123 /nfs/dbraw/zinc/81/71/23/402817123.db2.gz XDGLSMHEOLCTSN-ZDUSSCGKSA-N 0 0 321.336 2.425 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000184213898 402826882 /nfs/dbraw/zinc/82/68/82/402826882.db2.gz UVNDKCYNOZQFAE-LLVKDONJSA-N 0 0 310.419 2.492 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000184218300 402827766 /nfs/dbraw/zinc/82/77/66/402827766.db2.gz LHDVGOZNOASHDW-VXGBXAGGSA-N 0 0 310.419 2.114 10 30 DEEERN CCCCN1CCOC[C@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000184371669 402838695 /nfs/dbraw/zinc/83/86/95/402838695.db2.gz ZPBCVMBMLLAIDG-HNNXBMFYSA-N 0 0 305.353 2.137 10 30 DEEERN CC(C)OCCCC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183654514 402786084 /nfs/dbraw/zinc/78/60/84/402786084.db2.gz TWVZEPIKCUAUCB-UHFFFAOYSA-N 0 0 313.361 2.283 10 30 DEEERN C[C@@H]1CC[C@H](C)N(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000176003479 402847328 /nfs/dbraw/zinc/84/73/28/402847328.db2.gz CHIGFNUFVZAZMM-MNOVXSKESA-N 0 0 303.337 2.283 10 30 DEEERN C=CCn1nnnc1SCC(=O)C1CCC(F)(F)CC1 ZINC000278152930 402860638 /nfs/dbraw/zinc/86/06/38/402860638.db2.gz OARPRHCPHPJZTA-UHFFFAOYSA-N 0 0 302.350 2.346 10 30 DEEERN C=CCN(C(=O)NCc1cn(C)nc1C(F)(F)F)C1CC1 ZINC000271439154 402871216 /nfs/dbraw/zinc/87/12/16/402871216.db2.gz ZCLVMWJPZUZDBQ-UHFFFAOYSA-N 0 0 302.300 2.299 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1CNc1nc2c(cc1C#N)CCC2 ZINC000278791356 402871405 /nfs/dbraw/zinc/87/14/05/402871405.db2.gz QGBRYXPWXOMFOP-SUMWQHHRSA-N 0 0 323.400 2.365 10 30 DEEERN CC[C@H]1CN(c2cc(C(C)=O)ccc2C#N)CCN1CCOC ZINC000272490341 402943529 /nfs/dbraw/zinc/94/35/29/402943529.db2.gz KDKINCBPCPKIRT-KRWDZBQOSA-N 0 0 315.417 2.308 10 30 DEEERN C#CCOc1ccc(C(=O)NCC2(CO)CC3(CCC3)C2)cc1 ZINC000279216921 402917322 /nfs/dbraw/zinc/91/73/22/402917322.db2.gz XJCKMZLZFQSEEN-UHFFFAOYSA-N 0 0 313.397 2.371 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)[C@@H](OC)c1ccc(F)cc1 ZINC000273394583 403000996 /nfs/dbraw/zinc/00/09/96/403000996.db2.gz OCZFWLOEJHQVRV-KCPJHIHWSA-N 0 0 310.369 2.138 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N(C)Cc1nc([C@H](C)OC)no1 ZINC000267083814 403013937 /nfs/dbraw/zinc/01/39/37/403013937.db2.gz JYQXROYMZIGCSU-STQMWFEESA-N 0 0 324.425 2.022 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1cccc(OCC(=O)NCC)c1 ZINC000274258028 403039525 /nfs/dbraw/zinc/03/95/25/403039525.db2.gz AXCUGBUPMFJARG-AWEZNQCLSA-N 0 0 318.417 2.420 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)C1=O ZINC000281452262 403068897 /nfs/dbraw/zinc/06/88/97/403068897.db2.gz SCKXZSYWCBKKJW-MRXNPFEDSA-N 0 0 323.396 2.101 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C(=O)OC)c1ccc(OC)c(O)c1 ZINC000274704049 403080393 /nfs/dbraw/zinc/08/03/93/403080393.db2.gz OOSUMCIPKXVPIJ-IAQYHMDHSA-N 0 0 321.373 2.333 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC000283123633 403173415 /nfs/dbraw/zinc/17/34/15/403173415.db2.gz BYYVSVNZAVKRMC-MJBXVCDLSA-N 0 0 306.410 2.034 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CCC(Cn2cccn2)CC1 ZINC000282760575 403159180 /nfs/dbraw/zinc/15/91/80/403159180.db2.gz CCAQWCDAMQBYGD-UHFFFAOYSA-N 0 0 300.410 2.276 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000277423983 403216276 /nfs/dbraw/zinc/21/62/76/403216276.db2.gz MLQKRPHFCHYHQI-UHFFFAOYSA-N 0 0 322.408 2.088 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NS(=O)(=O)CCCCC#N ZINC000285449232 403298934 /nfs/dbraw/zinc/29/89/34/403298934.db2.gz YIJKMSZCZXQRIV-MRXNPFEDSA-N 0 0 304.415 2.234 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CCc2c1cccc2F ZINC000285255199 403279720 /nfs/dbraw/zinc/27/97/20/403279720.db2.gz YEGUPAMCYYSQSW-OAHLLOKOSA-N 0 0 302.349 2.130 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](C)Cc1ccccc1C ZINC000285275681 403280335 /nfs/dbraw/zinc/28/03/35/403280335.db2.gz UQBNPDHKUTYMLE-OAHLLOKOSA-N 0 0 302.418 2.467 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCCC[C@@H]2CC(N)=O)cc1 ZINC000343055956 403446417 /nfs/dbraw/zinc/44/64/17/403446417.db2.gz MXKPNBAUYMHAQE-CQSZACIVSA-N 0 0 302.374 2.122 10 30 DEEERN C=C(CNC(=O)c1cnc2c(cnn2C)c1OC)c1ccccc1 ZINC000345860087 403513390 /nfs/dbraw/zinc/51/33/90/403513390.db2.gz RRWXSOUENWLXJH-UHFFFAOYSA-N 0 0 322.368 2.420 10 30 DEEERN CC#CCCCc1nc(-c2ccnc(N3CCOCC3)c2)no1 ZINC000346317904 403584640 /nfs/dbraw/zinc/58/46/40/403584640.db2.gz DDHMCJLHBRDLGH-UHFFFAOYSA-N 0 0 312.373 2.314 10 30 DEEERN C=CCC(C)(C)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000293851704 403580548 /nfs/dbraw/zinc/58/05/48/403580548.db2.gz UZYBBHWZOYTXEW-HOCLYGCPSA-N 0 0 315.417 2.320 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@H]1CCOC1 ZINC000287481719 403608196 /nfs/dbraw/zinc/60/81/96/403608196.db2.gz SHTZUKYHNNDAON-IAGOWNOFSA-N 0 0 300.402 2.299 10 30 DEEERN C#CCC(CC#C)C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000287548400 403620863 /nfs/dbraw/zinc/62/08/63/403620863.db2.gz WZQQNXIDSSYZGM-AWEZNQCLSA-N 0 0 318.417 2.022 10 30 DEEERN C#CCC(CC#C)C(=O)NCCCN(C)c1ccccc1F ZINC000287663152 403645415 /nfs/dbraw/zinc/64/54/15/403645415.db2.gz XBPLHJJNPZWEDC-UHFFFAOYSA-N 0 0 300.377 2.431 10 30 DEEERN C=CCO[C@H]1CCN(c2nc(N(C)C)cc(C(F)(F)F)n2)C1 ZINC000302184468 403708938 /nfs/dbraw/zinc/70/89/38/403708938.db2.gz SXMVJCHJZYGDRH-JTQLQIEISA-N 0 0 316.327 2.343 10 30 DEEERN C=CCO[C@@H]1CCN(c2nc(Cl)c(C(=O)OC)s2)C1 ZINC000302156788 403709361 /nfs/dbraw/zinc/70/93/61/403709361.db2.gz MZYUPORILSLWTF-MRVPVSSYSA-N 0 0 302.783 2.364 10 30 DEEERN Cc1cc(N2CCN(C(=O)C(C)(C)C)CC2)c(C#N)c(C)n1 ZINC000301784020 403678745 /nfs/dbraw/zinc/67/87/45/403678745.db2.gz OBZWJAOIOTWQEJ-UHFFFAOYSA-N 0 0 300.406 2.265 10 30 DEEERN N#Cc1ccc(C(F)(F)F)nc1N1CCCC[C@H]1CC(N)=O ZINC000301884152 403695168 /nfs/dbraw/zinc/69/51/68/403695168.db2.gz YNJGOEWAFSAPEY-JTQLQIEISA-N 0 0 312.295 2.206 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1nnn(Cc2ccccc2F)c1C ZINC000287954904 403698097 /nfs/dbraw/zinc/69/80/97/403698097.db2.gz UNAAYBNRAIZSRI-UHFFFAOYSA-N 0 0 324.359 2.375 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C)(O)CC1 ZINC000288252362 403743169 /nfs/dbraw/zinc/74/31/69/403743169.db2.gz SWJVLGNXPYTTJX-MRXNPFEDSA-N 0 0 300.402 2.177 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@H](C)COc1ccccc1OC ZINC000288679702 403761624 /nfs/dbraw/zinc/76/16/24/403761624.db2.gz YUDUSCNCIKWFRM-HNNXBMFYSA-N 0 0 313.397 2.489 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)c2cc(C)nc(C)n2)cc1 ZINC000347682129 403804526 /nfs/dbraw/zinc/80/45/26/403804526.db2.gz YVHJTLIEVHTGPH-UHFFFAOYSA-N 0 0 310.357 2.262 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)NCC[C@H]1CCOC1 ZINC000361727332 403826604 /nfs/dbraw/zinc/82/66/04/403826604.db2.gz GGRZNGDGWCYNQN-ZDUSSCGKSA-N 0 0 305.374 2.416 10 30 DEEERN CC#CCNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000354481661 403830010 /nfs/dbraw/zinc/83/00/10/403830010.db2.gz XTDORNSZDSSELG-UHFFFAOYSA-N 0 0 318.682 2.437 10 30 DEEERN C=CCOc1cccc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1 ZINC000295194750 403791469 /nfs/dbraw/zinc/79/14/69/403791469.db2.gz XSYPIEQIJUHCDU-MSOLQXFVSA-N 0 0 302.418 2.156 10 30 DEEERN C=CCc1cc(C(=O)N[C@@H](C)C(OC)OC)cc(OC)c1OC ZINC000289165629 403858290 /nfs/dbraw/zinc/85/82/90/403858290.db2.gz URAPQBKXYPPVRI-NSHDSACASA-N 0 0 323.389 2.170 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cn(C)nn1 ZINC000361842614 403900171 /nfs/dbraw/zinc/90/01/71/403900171.db2.gz AVAMYKPIKJXEMP-UHFFFAOYSA-N 0 0 301.350 2.044 10 30 DEEERN C=CCN(CCOC)C(=O)Nc1ccc(CC(=O)OC)cc1 ZINC000361803926 403875181 /nfs/dbraw/zinc/87/51/81/403875181.db2.gz JLWPVGDKPLDCNT-UHFFFAOYSA-N 0 0 306.362 2.068 10 30 DEEERN C=CCC1(C(=O)N[C@@H](Cc2ccccn2)C(=O)OCC)CCC1 ZINC000362193137 403933181 /nfs/dbraw/zinc/93/31/81/403933181.db2.gz UVAYLHDHSVNMOS-HNNXBMFYSA-N 0 0 316.401 2.418 10 30 DEEERN C=CCn1c(=O)[nH]nc1SCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351829742 403947570 /nfs/dbraw/zinc/94/75/70/403947570.db2.gz OIPVCGYIIZIZBQ-UHFFFAOYSA-N 0 0 322.346 2.379 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@H]1C(C)C ZINC000289680484 403990921 /nfs/dbraw/zinc/99/09/21/403990921.db2.gz NEBRTSVVECGPFR-UONOGXRCSA-N 0 0 306.410 2.177 10 30 DEEERN Cc1ncc(S(=O)(=O)N(C)CC2CCCCC2)cc1C#N ZINC000314515724 403997322 /nfs/dbraw/zinc/99/73/22/403997322.db2.gz NOSSBHACZTXIEC-UHFFFAOYSA-N 0 0 307.419 2.463 10 30 DEEERN CC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000295679107 404006350 /nfs/dbraw/zinc/00/63/50/404006350.db2.gz HWNFGTRCPBYWQV-JSGCOSHPSA-N 0 0 306.387 2.250 10 30 DEEERN C=C[C@@H](C)NC(=O)[C@H](NC(=O)NCc1ccc(F)cc1)C(C)C ZINC000362616504 403975517 /nfs/dbraw/zinc/97/55/17/403975517.db2.gz WZOAJIMYQBTGHZ-IUODEOHRSA-N 0 0 321.396 2.340 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@@H](C)c2c(F)cccc2OC)C1=O ZINC000348575996 404080983 /nfs/dbraw/zinc/08/09/83/404080983.db2.gz SAXICNXFOWHLGS-JQWIXIFHSA-N 0 0 322.336 2.018 10 30 DEEERN C#Cc1ccc(CNS(=O)(=O)CCc2scnc2C)cc1 ZINC000296091576 404089109 /nfs/dbraw/zinc/08/91/09/404089109.db2.gz FVHCSWVYHOTEMD-UHFFFAOYSA-N 0 0 320.439 2.095 10 30 DEEERN C=CCN(CC=C)C(=O)CN1CCc2cc(OC)c(F)cc2C1 ZINC000348809093 404100429 /nfs/dbraw/zinc/10/04/29/404100429.db2.gz KBVPCMWXSJUOON-UHFFFAOYSA-N 0 0 318.392 2.393 10 30 DEEERN C=CCc1ccc(OCC(=O)NCC[C@@H]2CCOC2)c(OC)c1 ZINC000344330503 404063583 /nfs/dbraw/zinc/06/35/83/404063583.db2.gz TYYHYTGZOLAJEG-OAHLLOKOSA-N 0 0 319.401 2.345 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)CC[C@H]3CCCO3)C2)n1 ZINC000328612939 404114145 /nfs/dbraw/zinc/11/41/45/404114145.db2.gz QDOYJHKEBOSPDM-ZIAGYGMSSA-N 0 0 320.393 2.224 10 30 DEEERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CC[C@@H]2CC[C@@H](C)O2)C1 ZINC000328621364 404117402 /nfs/dbraw/zinc/11/74/02/404117402.db2.gz AJMSMDVKTRWTLC-RYSNWHEDSA-N 0 0 312.410 2.228 10 30 DEEERN CCOCCNC(=O)CN1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000328632259 404120462 /nfs/dbraw/zinc/12/04/62/404120462.db2.gz LGHFGJYVKSFENH-HNNXBMFYSA-N 0 0 320.437 2.418 10 30 DEEERN C=CCn1c(CC(C)C)nnc1N1CCC[C@H](n2cncn2)C1 ZINC000290328141 404126417 /nfs/dbraw/zinc/12/64/17/404126417.db2.gz IOFVOUJYJICCLU-AWEZNQCLSA-N 0 0 315.425 2.096 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@]3(CCOC3)C1)CCC2 ZINC000328662412 404127146 /nfs/dbraw/zinc/12/71/46/404127146.db2.gz XIQQGFWQOCDIHW-YOEHRIQHSA-N 0 0 318.421 2.095 10 30 DEEERN CCn1c(C)nnc1SCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000328713665 404136549 /nfs/dbraw/zinc/13/65/49/404136549.db2.gz SBUVGOQUMKYORN-UHFFFAOYSA-N 0 0 323.466 2.282 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@@H]2C[C@]23CCc2ccccc23)CCN1C1CC1 ZINC000369762793 404220721 /nfs/dbraw/zinc/22/07/21/404220721.db2.gz JUCFVPOBUYOUKY-KPFFTGBYSA-N 0 0 321.424 2.089 10 30 DEEERN C[C@@H]1CCC[C@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[C@H]1C ZINC000363405348 404159461 /nfs/dbraw/zinc/15/94/61/404159461.db2.gz RNCCCJGVGBNEHV-VRKREXBASA-N 0 0 304.438 2.193 10 30 DEEERN COc1ccc(F)c(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 ZINC000363426794 404159555 /nfs/dbraw/zinc/15/95/55/404159555.db2.gz PYSPTIOURABUCM-LBPRGKRZSA-N 0 0 318.352 2.038 10 30 DEEERN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000328942779 404179060 /nfs/dbraw/zinc/17/90/60/404179060.db2.gz FPSFODVXMJBUIF-HPCHECBXSA-N 0 0 305.378 2.115 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@H]1CCN(C(=O)c2ccncc2)C1 ZINC000363874765 404235101 /nfs/dbraw/zinc/23/51/01/404235101.db2.gz KIQILBHZGHWXMP-INIZCTEOSA-N 0 0 313.401 2.181 10 30 DEEERN Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H]2CCO[C@@H]2C(C)C)no1 ZINC000329153577 404246461 /nfs/dbraw/zinc/24/64/61/404246461.db2.gz AFKQQRDKCGRVEA-MELADBBJSA-N 0 0 322.409 2.490 10 30 DEEERN COc1cc(C#N)ccc1CN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000369856551 404250336 /nfs/dbraw/zinc/25/03/36/404250336.db2.gz NSXLQTDZIUGJGW-GOSISDBHSA-N 0 0 316.401 2.337 10 30 DEEERN O=C(NC[C@@H]1COCCO1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000329405810 404327828 /nfs/dbraw/zinc/32/78/28/404327828.db2.gz ATPXACKCCNGJOW-DZGCQCFKSA-N 0 0 324.808 2.459 10 30 DEEERN O=C(C[C@H]1Sc2ccccc2NC1=O)N[C@@]1(CO)CCOC1 ZINC000329456068 404342102 /nfs/dbraw/zinc/34/21/02/404342102.db2.gz PXTSQUUIERIERU-IUODEOHRSA-N 0 0 322.386 2.247 10 30 DEEERN C=CCCC[C@H](C)NC(=O)c1ccc(CN2CCOCC2)cn1 ZINC000355666207 404358699 /nfs/dbraw/zinc/35/86/99/404358699.db2.gz HIRGFCPWSYKKAE-HNNXBMFYSA-N 0 0 317.433 2.388 10 30 DEEERN C=CCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)CCCC2 ZINC000296722209 404316278 /nfs/dbraw/zinc/31/62/78/404316278.db2.gz CFSUAWWVWISZEQ-UHFFFAOYSA-N 0 0 311.385 2.432 10 30 DEEERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCC3CCCC3)CCO2)n1 ZINC000329373885 404317664 /nfs/dbraw/zinc/31/76/64/404317664.db2.gz NHHDREGTZHKOOE-INIZCTEOSA-N 0 0 320.437 2.305 10 30 DEEERN C=C[C@H](C)NC(=O)c1cccc(-c2nnc(CCOC)o2)c1 ZINC000352443163 404374247 /nfs/dbraw/zinc/37/42/47/404374247.db2.gz FIQKRSXGSBSPAD-NSHDSACASA-N 0 0 301.346 2.230 10 30 DEEERN Cn1cc(NC(=O)N2CCC(c3ncc[nH]3)CC2)c(C2CC2)n1 ZINC000329603634 404390629 /nfs/dbraw/zinc/39/06/29/404390629.db2.gz GLVJCZMSFBAYHW-UHFFFAOYSA-N 0 0 314.393 2.446 10 30 DEEERN Cn1cc(NC(=O)N2CCC3(C2)CCOCC3)c(C2CC2)n1 ZINC000329625929 404398119 /nfs/dbraw/zinc/39/81/19/404398119.db2.gz OSTCSEJGBMXRJE-UHFFFAOYSA-N 0 0 304.394 2.346 10 30 DEEERN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000329652715 404409426 /nfs/dbraw/zinc/40/94/26/404409426.db2.gz LFEXUQQILWRQHX-BSLXNSKLSA-N 0 0 318.373 2.101 10 30 DEEERN COC1CCC(CCNC(=O)N2CCc3cncnc3C2)CC1 ZINC000329660617 404412622 /nfs/dbraw/zinc/41/26/22/404412622.db2.gz IIQKNBVJYRAEIG-UHFFFAOYSA-N 0 0 318.421 2.344 10 30 DEEERN O=C(NC[C@@H]1CCc2nccn2C1)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000329933873 404499524 /nfs/dbraw/zinc/49/95/24/404499524.db2.gz BTEFNZBUPKSWDS-LGRHPFTQSA-N 0 0 322.412 2.287 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cc3c(s2)CCCC3)CCN1C1CC1 ZINC000370972326 404432214 /nfs/dbraw/zinc/43/22/14/404432214.db2.gz JFXUQHLZYWXFKO-AWEZNQCLSA-N 0 0 315.442 2.439 10 30 DEEERN C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H]1COC)C(C)C ZINC000297076847 404440086 /nfs/dbraw/zinc/44/00/86/404440086.db2.gz LTTCRLMKGQQDAP-HOTGVXAUSA-N 0 0 309.454 2.115 10 30 DEEERN C=CCC1(c2nc([C@@H]3CC(=O)N(CC)C3)no2)CCOCC1 ZINC000351432162 404583261 /nfs/dbraw/zinc/58/32/61/404583261.db2.gz KVBFMZLLGPIIPF-GFCCVEGCSA-N 0 0 305.378 2.030 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCCOCC1 ZINC000342367416 404536516 /nfs/dbraw/zinc/53/65/16/404536516.db2.gz FWIVUXVJNYUGQF-CQSZACIVSA-N 0 0 307.390 2.493 10 30 DEEERN CCc1ccccc1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000364825098 404537762 /nfs/dbraw/zinc/53/77/62/404537762.db2.gz JLMNBRZEAMZDST-QGZVFWFLSA-N 0 0 312.417 2.131 10 30 DEEERN CN(C(=O)NC[C@@H]1CCC2(CCCCC2)O1)[C@H]1CCNC1=O ZINC000330052960 404539646 /nfs/dbraw/zinc/53/96/46/404539646.db2.gz PVBDQLGHGBVQIQ-STQMWFEESA-N 0 0 309.410 2.443 10 30 DEEERN Cn1cncc1[C@@H]1C[C@H](NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CCO1 ZINC000330331522 404629224 /nfs/dbraw/zinc/62/92/24/404629224.db2.gz OCRIQLDSQMMMRI-WKZARQIDSA-N 0 0 305.378 2.022 10 30 DEEERN CC#CCCCC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000365509344 404679784 /nfs/dbraw/zinc/67/97/84/404679784.db2.gz APWPLFIFAHAHIS-OAHLLOKOSA-N 0 0 302.422 2.007 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCCC(=O)c1ccc(OC)cc1 ZINC000357677898 404740990 /nfs/dbraw/zinc/74/09/90/404740990.db2.gz QXBZJGVFUJMELZ-CQSZACIVSA-N 0 0 305.374 2.101 10 30 DEEERN CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000357034419 404725375 /nfs/dbraw/zinc/72/53/75/404725375.db2.gz YXDHGHNGDDUETL-NSHDSACASA-N 0 0 324.344 2.008 10 30 DEEERN C=CCNC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000359063290 404782680 /nfs/dbraw/zinc/78/26/80/404782680.db2.gz RGQUZQYZTAVMGH-LBPRGKRZSA-N 0 0 313.195 2.358 10 30 DEEERN C=C(C)Cn1c(CC2CC2)nnc1N(CCOC)[C@H]1CCOC1 ZINC000359111243 404784391 /nfs/dbraw/zinc/78/43/91/404784391.db2.gz VSGNEBFWCPGCKF-HNNXBMFYSA-N 0 0 320.437 2.048 10 30 DEEERN C=CCN(CCC#N)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000359378198 404791974 /nfs/dbraw/zinc/79/19/74/404791974.db2.gz HMZSVJSYFPFQEE-UHFFFAOYSA-N 0 0 300.358 2.319 10 30 DEEERN CC(C)c1ncc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)s1 ZINC000366476592 404798602 /nfs/dbraw/zinc/79/86/02/404798602.db2.gz BVIKIHJNCYJQCQ-GFCCVEGCSA-N 0 0 304.419 2.079 10 30 DEEERN C=CCNC(=O)CN1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000359618963 404799060 /nfs/dbraw/zinc/79/90/60/404799060.db2.gz RATKSAWEWRXWID-UHFFFAOYSA-N 0 0 323.387 2.044 10 30 DEEERN C#CCCCCNC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000366697170 404833331 /nfs/dbraw/zinc/83/33/31/404833331.db2.gz BKMBQBJDRGBRPW-CVEARBPZSA-N 0 0 319.449 2.270 10 30 DEEERN C=C(C)CN(C)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000366714517 404835630 /nfs/dbraw/zinc/83/56/30/404835630.db2.gz TXFLVAPZBNBQDN-CABCVRRESA-N 0 0 307.438 2.385 10 30 DEEERN CC[C@H](CC#N)NC(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000435019697 404951450 /nfs/dbraw/zinc/95/14/50/404951450.db2.gz FXBSNRATQFWMCK-NXEZZACHSA-N 0 0 320.418 2.015 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccnc(OC(F)F)c1 ZINC000451394503 404978627 /nfs/dbraw/zinc/97/86/27/404978627.db2.gz SJAIODLEMKYWSW-AAEUAGOBSA-N 0 0 312.316 2.394 10 30 DEEERN C[C@H](CC(F)(F)F)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451412422 404985659 /nfs/dbraw/zinc/98/56/59/404985659.db2.gz OCQOTQCFEPTELQ-MRVPVSSYSA-N 0 0 324.299 2.458 10 30 DEEERN N#Cc1cc(CN2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)ccc1F ZINC000408045801 405096356 /nfs/dbraw/zinc/09/63/56/405096356.db2.gz SZXWNUUUAWOLTH-JQHSSLGASA-N 0 0 318.392 2.449 10 30 DEEERN Cc1cc(C#N)nc(N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)n1 ZINC000367425782 405044467 /nfs/dbraw/zinc/04/44/67/405044467.db2.gz IFOYBPBZGCULGC-SWLSCSKDSA-N 0 0 307.357 2.263 10 30 DEEERN C=C(C)COCCNC(=O)Nc1ccc(OC)c(OC)c1OC ZINC000354115847 405051864 /nfs/dbraw/zinc/05/18/64/405051864.db2.gz UVUGQSVQIFXLRU-UHFFFAOYSA-N 0 0 324.377 2.427 10 30 DEEERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCc2ccc(C#N)cc21 ZINC000408001535 405088235 /nfs/dbraw/zinc/08/82/35/405088235.db2.gz BCOKZBOFAKPWFF-HNNXBMFYSA-N 0 0 311.385 2.094 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N1CC[C@@H](O)C1(C)C ZINC000361473047 405088749 /nfs/dbraw/zinc/08/87/49/405088749.db2.gz HJUZPAPACCNFEW-OAHLLOKOSA-N 0 0 304.390 2.306 10 30 DEEERN CC(C)[C@@H]1C[C@H]1CNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451914046 405090162 /nfs/dbraw/zinc/09/01/62/405090162.db2.gz CNQSELCKNQEEFX-ZFWWWQNUSA-N 0 0 310.394 2.409 10 30 DEEERN C=CCC1(C(=O)NCc2c(C)cc(C)[nH]c2=O)CCOCC1 ZINC000424553501 405114292 /nfs/dbraw/zinc/11/42/92/405114292.db2.gz BSAVALAKLIUVIQ-UHFFFAOYSA-N 0 0 304.390 2.393 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1CCO[C@@]2(CCCOC2)C1 ZINC000408110360 405115193 /nfs/dbraw/zinc/11/51/93/405115193.db2.gz OROAGSQORHLTGA-KRWDZBQOSA-N 0 0 300.358 2.147 10 30 DEEERN N#CC1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCCCC1 ZINC000408134269 405119887 /nfs/dbraw/zinc/11/98/87/405119887.db2.gz RRYMLPWIGJXKIV-UHFFFAOYSA-N 0 0 314.345 2.349 10 30 DEEERN C=CCC1(C(=O)NCCOc2ccc(C#N)cc2)CCOCC1 ZINC000424677868 405146699 /nfs/dbraw/zinc/14/66/99/405146699.db2.gz ATFBKNDDGNDQJH-UHFFFAOYSA-N 0 0 314.385 2.426 10 30 DEEERN C=CCCn1cc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)nn1 ZINC000424694642 405152852 /nfs/dbraw/zinc/15/28/52/405152852.db2.gz QDNRRLOCQYHBPN-HNNXBMFYSA-N 0 0 318.421 2.418 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2Cc3cccc(O)c3C2)CCOCC1 ZINC000424809577 405184110 /nfs/dbraw/zinc/18/41/10/405184110.db2.gz WGSRYTMVHXAABK-CQSZACIVSA-N 0 0 301.386 2.349 10 30 DEEERN C=CCC1(C(=O)NCc2csc(COC)n2)CCOCC1 ZINC000424831469 405190541 /nfs/dbraw/zinc/19/05/41/405190541.db2.gz QQQARLLMHYMLBP-UHFFFAOYSA-N 0 0 310.419 2.279 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@H](OCCOC)C2)CCOCC1 ZINC000424837147 405193110 /nfs/dbraw/zinc/19/31/10/405193110.db2.gz XRTCVRYVCILWIQ-HNNXBMFYSA-N 0 0 311.422 2.013 10 30 DEEERN C=CCC1(C(=O)N2CC[S@@](=O)C(C)(C)CC2)CCOCC1 ZINC000424867541 405200364 /nfs/dbraw/zinc/20/03/64/405200364.db2.gz GYJLXCUFIBHOFA-OAQYLSRUSA-N 0 0 313.463 2.119 10 30 DEEERN C=CCn1cc(CNC(=O)C(C)(C)c2ccccc2F)nn1 ZINC000424906470 405210218 /nfs/dbraw/zinc/21/02/18/405210218.db2.gz FOLSGVFSEISTHW-UHFFFAOYSA-N 0 0 302.353 2.197 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000424926450 405213982 /nfs/dbraw/zinc/21/39/82/405213982.db2.gz SMHCIGNOTGFLQF-WFASDCNBSA-N 0 0 303.358 2.103 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCC(=O)c1cccc(F)c1 ZINC000424931743 405214240 /nfs/dbraw/zinc/21/42/40/405214240.db2.gz LDVWNUPWQUHGAP-BBRMVZONSA-N 0 0 305.349 2.496 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)OCc1ccc(F)cc1 ZINC000424928406 405214399 /nfs/dbraw/zinc/21/43/99/405214399.db2.gz ZCNWNICYKFEHIK-INWMFGNUSA-N 0 0 307.365 2.438 10 30 DEEERN Cc1cccc2c1CC(C)(C)N(C(=O)[C@H](C)n1cnc(C#N)n1)C2 ZINC000452978915 405268781 /nfs/dbraw/zinc/26/87/81/405268781.db2.gz MHISHQVYBGOYCM-ZDUSSCGKSA-N 0 0 323.400 2.383 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(OCC)c1 ZINC000425406696 405285603 /nfs/dbraw/zinc/28/56/03/405285603.db2.gz PPWZPRBXUZDXIE-HOCLYGCPSA-N 0 0 304.390 2.476 10 30 DEEERN C=C[C@](C)(CC)C(=O)NCc1nn(C)cc1Br ZINC000452761726 405238397 /nfs/dbraw/zinc/23/83/97/405238397.db2.gz CMZNELANDPLHQB-GFCCVEGCSA-N 0 0 300.200 2.401 10 30 DEEERN C=CC(C)(C)CNC(=O)CCc1nc2ccccc2oc1=O ZINC000452776834 405241859 /nfs/dbraw/zinc/24/18/59/405241859.db2.gz MAOHFVUANJLBJQ-UHFFFAOYSA-N 0 0 300.358 2.449 10 30 DEEERN C=CCOc1cccnc1C(=O)NCC1(CF)CCOCC1 ZINC000452809109 405246943 /nfs/dbraw/zinc/24/69/43/405246943.db2.gz PSKSZBFBWKEBHA-UHFFFAOYSA-N 0 0 308.353 2.143 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@](C)(O)CCC(C)C ZINC000438459815 405247482 /nfs/dbraw/zinc/24/74/82/405247482.db2.gz YYUQLJZBGIDOKZ-ZOBUZTSGSA-N 0 0 312.454 2.454 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000425178753 405254421 /nfs/dbraw/zinc/25/44/21/405254421.db2.gz NEDWSTXBPPECHH-GJZGRUSLSA-N 0 0 309.431 2.481 10 30 DEEERN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000425846577 405323984 /nfs/dbraw/zinc/32/39/84/405323984.db2.gz RMXLIEVIVJQIKU-AGGWBTHJSA-N 0 0 314.385 2.495 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1sc(C)nc1C ZINC000425444381 405291398 /nfs/dbraw/zinc/29/13/98/405291398.db2.gz NMNWZTSVODOYRY-STQMWFEESA-N 0 0 309.435 2.193 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)CCc1cccn1C ZINC000425444798 405291525 /nfs/dbraw/zinc/29/15/25/405291525.db2.gz MBSZGDVWAZZDKE-DZKIICNBSA-N 0 0 305.422 2.237 10 30 DEEERN C=CCC1(C(=O)Nc2ccc(C(=O)N(C)C)cn2)CCOCC1 ZINC000425561177 405303152 /nfs/dbraw/zinc/30/31/52/405303152.db2.gz AISQZMNFNPJVMR-UHFFFAOYSA-N 0 0 317.389 2.095 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCOC[C@@H]1c1ccc(C)o1 ZINC000425567408 405304015 /nfs/dbraw/zinc/30/40/15/405304015.db2.gz SJXVXDHGHJEEJN-ZNMIVQPWSA-N 0 0 320.389 2.262 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](CCO)c1ccccc1 ZINC000425568144 405304065 /nfs/dbraw/zinc/30/40/65/405304065.db2.gz VPOUFYMCHGYGDS-IKGGRYGDSA-N 0 0 318.417 2.043 10 30 DEEERN CCOc1ccc(CNC(=O)c2ccc(C#N)n2C)cc1OC ZINC000448694799 405437668 /nfs/dbraw/zinc/43/76/68/405437668.db2.gz QHWQKWMUUQUUDX-UHFFFAOYSA-N 0 0 313.357 2.234 10 30 DEEERN C[C@@H]1Cc2ccccc2N1CCNC(=O)c1ccc(C#N)n1C ZINC000448815607 405451679 /nfs/dbraw/zinc/45/16/79/405451679.db2.gz GRAGLLGRIGQDLZ-CYBMUJFWSA-N 0 0 308.385 2.078 10 30 DEEERN COCCOc1ccc(F)cc1NC(=O)c1ccc(C#N)n1C ZINC000448880408 405458946 /nfs/dbraw/zinc/45/89/46/405458946.db2.gz DNUNFYNFJRMHNI-UHFFFAOYSA-N 0 0 317.320 2.313 10 30 DEEERN CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCC2CCC(C#N)CC2)C1 ZINC000458725995 405559757 /nfs/dbraw/zinc/55/97/57/405559757.db2.gz HISDCJARFRFXNN-GPANFISMSA-N 0 0 306.454 2.440 10 30 DEEERN CC#CCN(C)C(=O)[C@H](C)Cc1c(C)nn(COCC)c1C ZINC000633215664 405508568 /nfs/dbraw/zinc/50/85/68/405508568.db2.gz XYUWDPGMQKQREE-CYBMUJFWSA-N 0 0 305.422 2.154 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000633317679 405568663 /nfs/dbraw/zinc/56/86/63/405568663.db2.gz JYCRPKLMWLJTKD-JONQDZQNSA-N 0 0 308.422 2.224 10 30 DEEERN C=C(CC)CNC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000456830569 405583046 /nfs/dbraw/zinc/58/30/46/405583046.db2.gz RJXSLOGDHFQFOZ-GFCCVEGCSA-N 0 0 308.328 2.400 10 30 DEEERN C=CCOCCCNC(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000633352170 405588747 /nfs/dbraw/zinc/58/87/47/405588747.db2.gz MTAJWRLPTSRMBM-CVEARBPZSA-N 0 0 304.390 2.409 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1sc([C@@H]2CCOC2)nc1C ZINC000633486876 405671467 /nfs/dbraw/zinc/67/14/67/405671467.db2.gz MSEKYTWZFZLVLV-XQQFMLRXSA-N 0 0 322.430 2.276 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@H]1c1cccc(C)n1 ZINC000582167579 405683391 /nfs/dbraw/zinc/68/33/91/405683391.db2.gz UUGBWGRBXKKCIF-INIZCTEOSA-N 0 0 315.417 2.478 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000457133380 405717325 /nfs/dbraw/zinc/71/73/25/405717325.db2.gz RECDAPCQNRUZPN-OLZOCXBDSA-N 0 0 321.446 2.418 10 30 DEEERN C=CCN(C(=O)c1cc(N2CCCCC2)ncn1)[C@@H](C)COC ZINC000633613105 405745885 /nfs/dbraw/zinc/74/58/85/405745885.db2.gz WSPMYULXFVAEIL-AWEZNQCLSA-N 0 0 318.421 2.130 10 30 DEEERN Cn1c(C#N)ccc1C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000450162587 405763194 /nfs/dbraw/zinc/76/31/94/405763194.db2.gz QRUHADCDQXUTEV-ZDUSSCGKSA-N 0 0 311.341 2.317 10 30 DEEERN C=CCOCCCNC(=O)c1sc([C@H]2CCOC2)nc1C ZINC000633627914 405754152 /nfs/dbraw/zinc/75/41/52/405754152.db2.gz ASNRXVIFOQFMTI-LBPRGKRZSA-N 0 0 310.419 2.278 10 30 DEEERN Cc1cc(C#N)nc(N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000583616380 405773791 /nfs/dbraw/zinc/77/37/91/405773791.db2.gz LVFSAQFLEKMKTR-WFASDCNBSA-N 0 0 316.311 2.247 10 30 DEEERN C=CCC(C)(C)C(=O)N1CCN(c2cncc(OC)c2)CC1 ZINC000636273142 405854522 /nfs/dbraw/zinc/85/45/22/405854522.db2.gz VLRRPTMGQGJUKP-UHFFFAOYSA-N 0 0 303.406 2.341 10 30 DEEERN C=CCCC(C)(C)CNC(=O)COc1ccc(C(N)=O)cc1 ZINC000633964333 405933506 /nfs/dbraw/zinc/93/35/06/405933506.db2.gz KZFURBTZVPGWIC-UHFFFAOYSA-N 0 0 304.390 2.273 10 30 DEEERN CCOC(=O)c1cnc(C)c(NC(=O)c2ccc(C#N)n2C)c1 ZINC000450526537 405941874 /nfs/dbraw/zinc/94/18/74/405941874.db2.gz VNFKRFKWBRMGLG-UHFFFAOYSA-N 0 0 312.329 2.029 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@@H]2C[C@H](C)O[C@@H]2C)c(OC)c1 ZINC000634015864 405959600 /nfs/dbraw/zinc/95/96/00/405959600.db2.gz RDNXWKNDOLZZHO-GZBFAFLISA-N 0 0 319.401 2.485 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000450575008 405960445 /nfs/dbraw/zinc/96/04/45/405960445.db2.gz DRSVLSMEMPKZBH-GOSISDBHSA-N 0 0 323.396 2.310 10 30 DEEERN C[C@]1(C#N)CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000612152184 405916580 /nfs/dbraw/zinc/91/65/80/405916580.db2.gz ARWAHGIIAPUMSA-CQSZACIVSA-N 0 0 307.350 2.012 10 30 DEEERN C=C[C@H](CC(=O)N1C[C@@H](OC)C[C@@]1(C)CO)c1ccccc1 ZINC000634065876 405990176 /nfs/dbraw/zinc/99/01/76/405990176.db2.gz FAJUOVGSXPGFJN-HFTRVMKXSA-N 0 0 303.402 2.345 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@](C)(CO)Cc1ccccc1F ZINC000634279258 406080243 /nfs/dbraw/zinc/08/02/43/406080243.db2.gz LHWQSGSDZYRVTO-DYVFJYSZSA-N 0 0 309.381 2.217 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(N2CCC2=O)c1 ZINC000566144717 406086472 /nfs/dbraw/zinc/08/64/72/406086472.db2.gz YAAIHPKPSGUYFT-WFASDCNBSA-N 0 0 315.373 2.136 10 30 DEEERN CC(=O)CN(CC(C)C)S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000566164286 406086669 /nfs/dbraw/zinc/08/66/69/406086669.db2.gz BTSHDQCVVFIUGB-UHFFFAOYSA-N 0 0 322.430 2.129 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)NCC1([C@@H]2CCCCO2)CCC1 ZINC000632344921 406099947 /nfs/dbraw/zinc/09/99/47/406099947.db2.gz UKCNWIZZIIXSKZ-HNNXBMFYSA-N 0 0 320.433 2.043 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)NCC1([C@@H]2CCCCO2)CCC1 ZINC000632347781 406101026 /nfs/dbraw/zinc/10/10/26/406101026.db2.gz XTRDBKWZIMIFOE-HNNXBMFYSA-N 0 0 322.449 2.267 10 30 DEEERN C=CCCCCCNC(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000514946143 406056076 /nfs/dbraw/zinc/05/60/76/406056076.db2.gz BEDIZXNDWATKTD-UHFFFAOYSA-N 0 0 301.394 2.297 10 30 DEEERN C=CCCCCCNC(=O)N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000563373054 406059812 /nfs/dbraw/zinc/05/98/12/406059812.db2.gz HITFZJYYIJZXPQ-ARFHVFGLSA-N 0 0 310.438 2.304 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCc2nnn(C3CC(C)C3)c2C1 ZINC000634225227 406062564 /nfs/dbraw/zinc/06/25/64/406062564.db2.gz JXJDJFIRUQBOMN-ROKHWSDSSA-N 0 0 318.421 2.115 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Cn2cccn2)cc1 ZINC000564858939 406066247 /nfs/dbraw/zinc/06/62/47/406066247.db2.gz OOHSOGBRVUGFKC-IRXDYDNUSA-N 0 0 311.385 2.252 10 30 DEEERN C=CCC1(C(=O)Nc2ccc3c(c2)C(=O)NC3)CCOCC1 ZINC000564862842 406067367 /nfs/dbraw/zinc/06/73/67/406067367.db2.gz XKURIPFNWGOMJQ-UHFFFAOYSA-N 0 0 300.358 2.241 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000636754926 406073029 /nfs/dbraw/zinc/07/30/29/406073029.db2.gz YZEVRDWSHOYOPV-CYBMUJFWSA-N 0 0 310.438 2.169 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N[C@H]1[C@H](c2ccccc2)C1(C)C ZINC000637055883 406164803 /nfs/dbraw/zinc/16/48/03/406164803.db2.gz XDLGIWLEKOZMNS-HOTGVXAUSA-N 0 0 312.413 2.495 10 30 DEEERN Cn1c2cccc(NC(=O)Cc3cccc(C#N)c3)c2oc1=O ZINC000533117205 406123817 /nfs/dbraw/zinc/12/38/17/406123817.db2.gz DUFSWIVQKSUUIZ-UHFFFAOYSA-N 0 0 307.309 2.184 10 30 DEEERN C=CC1CCN(C(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)CC1 ZINC000517224991 406124801 /nfs/dbraw/zinc/12/48/01/406124801.db2.gz QMEJUMGROQEGSL-INIZCTEOSA-N 0 0 315.373 2.341 10 30 DEEERN C=C(C)COCCNC(=O)NCc1ccc(C(C)(C)C)[nH]c1=O ZINC000636930567 406125787 /nfs/dbraw/zinc/12/57/87/406125787.db2.gz JDQOSWIYHCMLFZ-UHFFFAOYSA-N 0 0 321.421 2.477 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CC)c1c(C)nn(C)c1C ZINC000567726840 406128382 /nfs/dbraw/zinc/12/83/82/406128382.db2.gz AEQMUVZCAZJWEO-KKUMJFAQSA-N 0 0 320.437 2.378 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1nnc(C(C)(C)C)s1 ZINC000567728268 406128615 /nfs/dbraw/zinc/12/86/15/406128615.db2.gz GDQUFSOSWUKVND-QWRGUYRKSA-N 0 0 324.450 2.226 10 30 DEEERN C=C[C@H](CC(=O)NC1CN(c2ccncn2)C1)c1ccccc1 ZINC000634452804 406136511 /nfs/dbraw/zinc/13/65/11/406136511.db2.gz IMNCLTUJXIHDCK-CQSZACIVSA-N 0 0 308.385 2.141 10 30 DEEERN Cc1ccc(N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)nc1C#N ZINC000518579862 406148675 /nfs/dbraw/zinc/14/86/75/406148675.db2.gz CFZIPXFCTKUIHH-AWEZNQCLSA-N 0 0 324.388 2.015 10 30 DEEERN CC1CC(C#N)(C(=O)N(C)Cc2cn(C)nc2C(F)(F)F)C1 ZINC000533536301 406151546 /nfs/dbraw/zinc/15/15/46/406151546.db2.gz JKMJCXDIKHEXPF-UHFFFAOYSA-N 0 0 314.311 2.337 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H](OC)C1CCCC1 ZINC000637022727 406153616 /nfs/dbraw/zinc/15/36/16/406153616.db2.gz ILFDOCVWXDIRBF-CQSZACIVSA-N 0 0 310.438 2.026 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H](CC(=O)NC)c2ccccc2)C1 ZINC000637115988 406181552 /nfs/dbraw/zinc/18/15/52/406181552.db2.gz WEWLIKBQJZPLGM-ZBFHGGJFSA-N 0 0 315.417 2.471 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CCC[C@@H]1CC ZINC000568031691 406181890 /nfs/dbraw/zinc/18/18/90/406181890.db2.gz HFSBFXICLALDBN-ZDUSSCGKSA-N 0 0 315.425 2.337 10 30 DEEERN C=CCCCCCNC(=O)CNC(=O)c1cccc(OC)c1 ZINC000568222926 406216743 /nfs/dbraw/zinc/21/67/43/406216743.db2.gz FYYYEYBDWFVAMX-UHFFFAOYSA-N 0 0 304.390 2.288 10 30 DEEERN C=CCn1cc(CNC(=O)NC(CC)(C2CC2)C2CC2)nn1 ZINC000637231410 406222027 /nfs/dbraw/zinc/22/20/27/406222027.db2.gz JCKZIJKDNZAUPF-UHFFFAOYSA-N 0 0 303.410 2.232 10 30 DEEERN C=CCCCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000637254548 406230422 /nfs/dbraw/zinc/23/04/22/406230422.db2.gz CJEHBJRAEWSQCU-KGLIPLIRSA-N 0 0 314.451 2.094 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)C1CCC(CO)CC1 ZINC000632536174 406173944 /nfs/dbraw/zinc/17/39/44/406173944.db2.gz HUOAYQCMWDOUKH-UHFFFAOYSA-N 0 0 324.465 2.105 10 30 DEEERN CC(=O)c1cc(C#N)ccc1NC(=O)Cc1cnn2c1CCCC2 ZINC000637327324 406260838 /nfs/dbraw/zinc/26/08/38/406260838.db2.gz QESZOGXIMCQNCI-UHFFFAOYSA-N 0 0 322.368 2.475 10 30 DEEERN C=CCN(C(=O)c1cc(C)n(-c2nc(C)cc(C)n2)n1)C1CC1 ZINC000539034076 406295470 /nfs/dbraw/zinc/29/54/70/406295470.db2.gz CRMCCOWKMHAYDR-UHFFFAOYSA-N 0 0 311.389 2.378 10 30 DEEERN C[C@@H](C(=O)NCc1cccc(Cl)c1Cl)n1cnc(C#N)n1 ZINC000537414261 406290210 /nfs/dbraw/zinc/29/02/10/406290210.db2.gz HPJOWVBTRUAOPJ-QMMMGPOBSA-N 0 0 324.171 2.334 10 30 DEEERN C=CCC1(NC(=O)N[C@H]2CCO[C@H]2c2nc(C)no2)CCCC1 ZINC000637551522 406344385 /nfs/dbraw/zinc/34/43/85/406344385.db2.gz OEYHTOGQUPKQQQ-QWHCGFSZSA-N 0 0 320.393 2.396 10 30 DEEERN C=C[C@H](CO)NC(=O)NCCc1c[nH]c2c1cccc2Cl ZINC000637571162 406350723 /nfs/dbraw/zinc/35/07/23/406350723.db2.gz SAJBIHBSAGNKEY-LLVKDONJSA-N 0 0 307.781 2.210 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)NCC1([C@H]2CCCCO2)CCC1 ZINC000637701309 406395316 /nfs/dbraw/zinc/39/53/16/406395316.db2.gz TXFGYADNXKXWNP-HUUCEWRRSA-N 0 0 310.438 2.210 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)NCC1([C@@H]2CCCCO2)CCC1 ZINC000637701299 406395683 /nfs/dbraw/zinc/39/56/83/406395683.db2.gz TXFGYADNXKXWNP-CABCVRRESA-N 0 0 310.438 2.210 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H]1CCN1Cc1ccc(OC)cc1 ZINC000635065085 406415084 /nfs/dbraw/zinc/41/50/84/406415084.db2.gz FFTTULIABJAYIA-KRWDZBQOSA-N 0 0 300.402 2.470 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)Nc1cc(F)cc(OC(F)F)c1 ZINC000635099971 406423741 /nfs/dbraw/zinc/42/37/41/406423741.db2.gz UTPQBNNITZLSCS-UHFFFAOYSA-N 0 0 316.279 2.400 10 30 DEEERN C=CC[C@H](C(=O)N(C)C[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000488996373 406369053 /nfs/dbraw/zinc/36/90/53/406369053.db2.gz YJIGRCCVEFWAPB-ZBFHGGJFSA-N 0 0 321.442 2.239 10 30 DEEERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCC(C#N)CC1)CC2 ZINC000525999510 406530131 /nfs/dbraw/zinc/53/01/31/406530131.db2.gz NLCASTVVFLFBAY-CYBMUJFWSA-N 0 0 300.406 2.400 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@]1(O)CCCC(C)(C)C1 ZINC000571996242 406591491 /nfs/dbraw/zinc/59/14/91/406591491.db2.gz QKWYILFKTMRAPK-GRDNDAEWSA-N 0 0 310.438 2.208 10 30 DEEERN N#Cc1cccc(CC(=O)N2CCOc3cc(O)ccc3C2)c1 ZINC000553488330 406760913 /nfs/dbraw/zinc/76/09/13/406760913.db2.gz IGFVIDNWGNQYIY-UHFFFAOYSA-N 0 0 308.337 2.228 10 30 DEEERN C=CCn1cc(CNC(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)nn1 ZINC000574195537 406780684 /nfs/dbraw/zinc/78/06/84/406780684.db2.gz XKEHLVQIOOQPIP-CJNGLKHVSA-N 0 0 303.410 2.186 10 30 DEEERN CSc1ccccc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000370995314 286731735 /nfs/dbraw/zinc/73/17/35/286731735.db2.gz ZEKZSOLBQUJQKQ-ZDUSSCGKSA-N 0 0 301.415 2.221 10 30 DEEERN CCOc1ccc(I)c(C#N)c1[N+](=O)[O-] ZINC000575671647 406817100 /nfs/dbraw/zinc/81/71/00/406817100.db2.gz VOTOCUKARSKLKA-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN CCOC(=O)Cc1c(OC(F)(F)F)ccc(C#N)c1[N+](=O)[O-] ZINC000575395803 406808780 /nfs/dbraw/zinc/80/87/80/406808780.db2.gz RIIQXKAULBXPMK-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN CCOC(=O)Cc1ccc(C#N)c([N+](=O)[O-])c1OC(F)F ZINC000575388196 406808813 /nfs/dbraw/zinc/80/88/13/406808813.db2.gz NYCMLMQFIJBRCN-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN CCOC(=O)Cc1cc(OC(F)F)c([N+](=O)[O-])cc1C#N ZINC000575387750 406808868 /nfs/dbraw/zinc/80/88/68/406808868.db2.gz JSDHFERQSZEYCL-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN CCOC(=O)Cc1cc(C#N)cc([N+](=O)[O-])c1OC(F)(F)F ZINC000575395720 406808930 /nfs/dbraw/zinc/80/89/30/406808930.db2.gz NERXSACTUSRWAQ-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN CCOC(=O)Cc1ccc(OC(F)(F)F)c(C#N)c1C=O ZINC000575390936 406808996 /nfs/dbraw/zinc/80/89/96/406808996.db2.gz KAPIYLORVMWVBU-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN CCOC(=O)Cc1c(C#N)cc([N+](=O)[O-])cc1OC(F)F ZINC000575388584 406809206 /nfs/dbraw/zinc/80/92/06/406809206.db2.gz YROVEGHMPHSKBK-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1CCO[C@H](C(C)C)C1 ZINC000575882532 406827465 /nfs/dbraw/zinc/82/74/65/406827465.db2.gz SETFQIAFAITDRT-FZKCQIBNSA-N 0 0 310.438 2.470 10 30 DEEERN C=CCCCCCNC(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](CC)C1 ZINC000576000999 406827948 /nfs/dbraw/zinc/82/79/48/406827948.db2.gz REJXOUBLAITJAK-KGLIPLIRSA-N 0 0 316.467 2.340 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCO[C@H](C(C)C)C1 ZINC000575982893 406828146 /nfs/dbraw/zinc/82/81/46/406828146.db2.gz ABPVURZNXJPZCS-UGUYLWEFSA-N 0 0 310.438 2.328 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC000576825519 406833544 /nfs/dbraw/zinc/83/35/44/406833544.db2.gz LUHVNVYAYNTGIN-ZENOOKHLSA-N 0 0 303.406 2.176 10 30 DEEERN C#CC[C@H](CC)NS(=O)(=O)c1cc(N)c(Cl)cc1C ZINC000129183935 196027026 /nfs/dbraw/zinc/02/70/26/196027026.db2.gz MVHKZJAXMIZNKK-JTQLQIEISA-N 0 0 300.811 2.311 10 30 DEEERN Cc1cccc(OC[C@H](O)CNC(=O)c2ccc(C#N)cc2C)c1 ZINC000129311630 196038165 /nfs/dbraw/zinc/03/81/65/196038165.db2.gz YBRZYNJSKOCWFQ-MRXNPFEDSA-N 0 0 324.380 2.345 10 30 DEEERN COc1cc(CNC(=O)C2(C#N)CCCC2)cc(OC)c1O ZINC000130662406 196099544 /nfs/dbraw/zinc/09/95/44/196099544.db2.gz OJCAJBHSCHARLL-UHFFFAOYSA-N 0 0 304.346 2.110 10 30 DEEERN COc1ccc(C#N)cc1CSc1n[nH]c(=O)n1C(C)C ZINC000130991406 196129351 /nfs/dbraw/zinc/12/93/51/196129351.db2.gz ABEHNDKEYFULOV-UHFFFAOYSA-N 0 0 304.375 2.325 10 30 DEEERN N#Cc1ccccc1S(=O)(=O)Nc1c(N)cc(F)cc1F ZINC000132314473 196244696 /nfs/dbraw/zinc/24/46/96/196244696.db2.gz DDZUVHGPRBYKMG-UHFFFAOYSA-N 0 0 309.297 2.219 10 30 DEEERN N#Cc1cc(Br)ccc1Nc1cncc(NN)n1 ZINC000132774417 196282695 /nfs/dbraw/zinc/28/26/95/196282695.db2.gz ZFLGLLOPEMFCGD-UHFFFAOYSA-N 0 0 305.139 2.140 10 30 DEEERN CC[C@@H](CSC)NC(=O)c1ccc(F)cc1C#CCCO ZINC000133973611 196350720 /nfs/dbraw/zinc/35/07/20/196350720.db2.gz KVUQKVLCDUGMQX-AWEZNQCLSA-N 0 0 309.406 2.431 10 30 DEEERN C=CCCS(=O)(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000134446086 196392060 /nfs/dbraw/zinc/39/20/60/196392060.db2.gz ZOIPIITVBVEDBE-UHFFFAOYSA-N 0 0 305.403 2.176 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)CCCC ZINC000135107101 196445132 /nfs/dbraw/zinc/44/51/32/196445132.db2.gz HDUDEIKWVDLTKB-AWEZNQCLSA-N 0 0 316.467 2.005 10 30 DEEERN C=CCN(CCO)C(=O)c1cc(Br)cn1C1CC1 ZINC000135862438 196505741 /nfs/dbraw/zinc/50/57/41/196505741.db2.gz KSOSHPPMRXMFLA-UHFFFAOYSA-N 0 0 313.195 2.206 10 30 DEEERN Cc1cc(C(=O)NCc2cscn2)ccc1C#CCCO ZINC000137755947 196579548 /nfs/dbraw/zinc/57/95/48/196579548.db2.gz IEKQNGINWHNLGP-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN Cc1cc(C(=O)N2C[C@@H](C)S[C@@H](C)C2)ccc1C#CCO ZINC000137760100 196579606 /nfs/dbraw/zinc/57/96/06/196579606.db2.gz URZQFHNIFWYLNL-OKILXGFUSA-N 0 0 303.427 2.305 10 30 DEEERN N#Cc1ccc(C2(C(=O)Nc3ccc(C(N)=O)c(F)c3)CC2)cc1 ZINC000186806676 224967547 /nfs/dbraw/zinc/96/75/47/224967547.db2.gz NPNHIIPTQHYVFK-UHFFFAOYSA-N 0 0 323.327 2.467 10 30 DEEERN Cn1cnnc1[C@H]1CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180574115 224897315 /nfs/dbraw/zinc/89/73/15/224897315.db2.gz BFEYTZGUSDCYBI-OAHLLOKOSA-N 0 0 321.384 2.348 10 30 DEEERN Cc1csc([C@H]2CN(C(=O)NCCCCC#N)CCO2)n1 ZINC000194227814 225176405 /nfs/dbraw/zinc/17/64/05/225176405.db2.gz KREDLKMVRJVVDP-GFCCVEGCSA-N 0 0 308.407 2.228 10 30 DEEERN Cc1cnc(CNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)s1 ZINC000328616614 225774175 /nfs/dbraw/zinc/77/41/75/225774175.db2.gz BWBKWWNGNFBROA-WCQYABFASA-N 0 0 306.391 2.419 10 30 DEEERN Cc1nnc(NC(=O)C[C@@H](C)N2CCCCC2=O)n1C1CC1 ZINC000329090348 225835069 /nfs/dbraw/zinc/83/50/69/225835069.db2.gz WLUAHBBNYYCIDO-SNVBAGLBSA-N 0 0 305.382 2.301 10 30 DEEERN COc1nc(C)cc(C)c1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329496911 225888465 /nfs/dbraw/zinc/88/84/65/225888465.db2.gz GDWJAKBXXLJVON-GZBFAFLISA-N 0 0 320.389 2.215 10 30 DEEERN C[C@@H](Cc1cccs1)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369233637 227027184 /nfs/dbraw/zinc/02/71/84/227027184.db2.gz WQXFXFDQVISETB-GXTWGEPZSA-N 0 0 318.446 2.061 10 30 DEEERN N#C[C@H]1CN(C(=O)NCc2cccc(Cl)c2)CCN1C1CC1 ZINC000371621040 227075149 /nfs/dbraw/zinc/07/51/49/227075149.db2.gz LGRYNXVGENVDSV-HNNXBMFYSA-N 0 0 318.808 2.222 10 30 DEEERN C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@H](n2cncn2)C1 ZINC000290361131 221599933 /nfs/dbraw/zinc/59/99/33/221599933.db2.gz LHYYYBUJRJZXNM-KBPBESRZSA-N 0 0 315.425 2.411 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@@H](F)CC2CCCCC2)CCN1C1CC1 ZINC000373578064 227115752 /nfs/dbraw/zinc/11/57/52/227115752.db2.gz QOWZDAWRHYZYRM-CVEARBPZSA-N 0 0 307.413 2.494 10 30 DEEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H]1CC(C)(C)C ZINC000407974797 227224452 /nfs/dbraw/zinc/22/44/52/227224452.db2.gz GHWJXPCIGXBJFF-OLZOCXBDSA-N 0 0 301.456 2.366 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000408033152 227226328 /nfs/dbraw/zinc/22/63/28/227226328.db2.gz IIKFSNVQAMDRCT-TUAOUCFPSA-N 0 0 303.328 2.069 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccncc1Br ZINC000408236747 227229754 /nfs/dbraw/zinc/22/97/54/227229754.db2.gz QPPFUAIWNLUDNH-WCBMZHEXSA-N 0 0 309.167 2.080 10 30 DEEERN CCc1noc([C@H](C)N2CCN([C@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000408380664 227232892 /nfs/dbraw/zinc/23/28/92/227232892.db2.gz BPKFVFYAGHSRPS-IHRRRGAJSA-N 0 0 303.410 2.003 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000408334200 227232901 /nfs/dbraw/zinc/23/29/01/227232901.db2.gz MJSZCQXUPSHMEB-BIMULSAOSA-N 0 0 301.321 2.060 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc(C)n(C(C)C)n2)C1 ZINC000627733446 421862770 /nfs/dbraw/zinc/86/27/70/421862770.db2.gz VCHPPXPROHQWAZ-ZDUSSCGKSA-N 0 0 304.394 2.136 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000635259652 421864760 /nfs/dbraw/zinc/86/47/60/421864760.db2.gz GGEANPILIRVCAZ-UHFFFAOYSA-N 0 0 321.425 2.080 10 30 DEEERN C=CCNc1nnc(S[C@H]2CCN(C3CCC3)C2=O)s1 ZINC000630998844 422465365 /nfs/dbraw/zinc/46/53/65/422465365.db2.gz VGRVVTRISSPJMN-JTQLQIEISA-N 0 0 310.448 2.382 10 30 DEEERN COC(=O)c1csc(NC(=O)c2ccnc(C#N)c2)c1C ZINC000193762155 424871311 /nfs/dbraw/zinc/87/13/11/424871311.db2.gz ZOLKYKYZRUISEF-UHFFFAOYSA-N 0 0 301.327 2.362 10 30 DEEERN CNC(=O)CO/N=C(\c1cc2ccncc2[nH]1)c1ccccc1 ZINC000216064377 424884785 /nfs/dbraw/zinc/88/47/85/424884785.db2.gz AAQBCRFMRRONNV-FXBPSFAMSA-N 0 0 308.341 2.078 10 30 DEEERN C=CCOCCCNc1ccc(I)cn1 ZINC000596473217 425025529 /nfs/dbraw/zinc/02/55/29/425025529.db2.gz NWJUWOGYWVVNRP-UHFFFAOYSA-N 0 0 318.158 2.691 10 30 DEEERN C=CCN(C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1)C1CC1 ZINC000435028905 425027612 /nfs/dbraw/zinc/02/76/12/425027612.db2.gz KOHFSQMFTQNRBQ-UHFFFAOYSA-N 0 0 317.389 2.622 10 30 DEEERN C=CCn1c(Nc2cnn(C)c2)nnc1[C@H]1Cc2ccccc2O1 ZINC000350730589 425032333 /nfs/dbraw/zinc/03/23/33/425032333.db2.gz USIRWYNIRYCWKY-OAHLLOKOSA-N 0 0 322.372 2.617 10 30 DEEERN Cc1nc(C)c(NC(=O)Nc2cc(C)n(CCC#N)n2)s1 ZINC000446319686 425049807 /nfs/dbraw/zinc/04/98/07/425049807.db2.gz IIQDHTHRDXEWCX-UHFFFAOYSA-N 0 0 304.379 2.823 10 30 DEEERN CN1c2cc(NC(=O)Cc3cccc(C#N)c3)ccc2OCC1=O ZINC000530676823 267343732 /nfs/dbraw/zinc/34/37/32/267343732.db2.gz OOGWAKNVLJHQRZ-UHFFFAOYSA-N 0 0 321.336 2.095 10 30 DEEERN COc1cc(CN(C)C(=O)c2ccc(C#N)cn2)cc(OC)c1 ZINC000523306671 267579224 /nfs/dbraw/zinc/57/92/24/267579224.db2.gz PSWZPEKFCFFRDI-UHFFFAOYSA-N 0 0 311.341 2.243 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000187307958 267659288 /nfs/dbraw/zinc/65/92/88/267659288.db2.gz XBKVBHDXEVTLPS-OCCSQVGLSA-N 0 0 302.374 2.399 10 30 DEEERN Cc1cccc2nc(CNC(=O)Cc3cccc(C#N)c3)cn21 ZINC000531152128 268060340 /nfs/dbraw/zinc/06/03/40/268060340.db2.gz HMPOHMFLXQIOSK-UHFFFAOYSA-N 0 0 304.353 2.373 10 30 DEEERN Cc1noc(C2CCN(C(=O)Cc3cccc(C#N)c3)CC2)n1 ZINC000531384657 268098210 /nfs/dbraw/zinc/09/82/10/268098210.db2.gz MKOUKJBKRAVRSA-UHFFFAOYSA-N 0 0 310.357 2.198 10 30 DEEERN N#Cc1ccc(F)c(CNC(=O)c2cn3ccnc3s2)c1 ZINC000188574829 268103614 /nfs/dbraw/zinc/10/36/14/268103614.db2.gz LREFSDNINATOJP-UHFFFAOYSA-N 0 0 300.318 2.337 10 30 DEEERN CC(=O)NC[C@H](CC(=O)N1CCC(C)(C#N)CC1)CC(C)C ZINC000450502921 278121039 /nfs/dbraw/zinc/12/10/39/278121039.db2.gz VTNIRBJAYKJJPK-HNNXBMFYSA-N 0 0 307.438 2.327 10 30 DEEERN CCC[C@@H]1C[C@@H]1NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000329104177 278895821 /nfs/dbraw/zinc/89/58/21/278895821.db2.gz DKUHBEKTNDIKBF-RUCLQGLUSA-N 0 0 310.438 2.341 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H](c2nncn2C)C1 ZINC000161394700 280315492 /nfs/dbraw/zinc/31/54/92/280315492.db2.gz JGGQTFCCCUVDTC-AWEZNQCLSA-N 0 0 309.373 2.015 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCCCOC[C@H]1CCOC1 ZINC000124950000 281805980 /nfs/dbraw/zinc/80/59/80/281805980.db2.gz PWWIQDZKUFCTGF-OAHLLOKOSA-N 0 0 302.374 2.040 10 30 DEEERN Cc1ccnc2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc12 ZINC000375804875 292796534 /nfs/dbraw/zinc/79/65/34/292796534.db2.gz JXUDIMCZPIOWOF-INIZCTEOSA-N 0 0 320.396 2.356 10 30 DEEERN N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1cnc2ccccc2c1 ZINC000333184495 294840851 /nfs/dbraw/zinc/84/08/51/294840851.db2.gz NPTORYQMGDHYIY-IUODEOHRSA-N 0 0 301.371 2.205 10 30 DEEERN C[C@H](CC(=O)NCCC(=O)N1CCCCC1)N1CCCCC1=O ZINC000328755418 298243973 /nfs/dbraw/zinc/24/39/73/298243973.db2.gz SVPGCNCRXFTQPY-CQSZACIVSA-N 0 0 323.437 2.137 10 30 DEEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CC[C@]2(CCOC2)C1 ZINC000328729353 303508958 /nfs/dbraw/zinc/50/89/58/303508958.db2.gz FJSIEMVPJRQRRH-DOMZBBRYSA-N 0 0 307.394 2.054 10 30 DEEERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N1CC2(C1)CCCOC2 ZINC000329543888 303513892 /nfs/dbraw/zinc/51/38/92/303513892.db2.gz ODVJKPZLFGWEKU-RRFJBIMHSA-N 0 0 320.433 2.361 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000184875194 335092627 /nfs/dbraw/zinc/09/26/27/335092627.db2.gz NAFGYLVWGILBRI-GFCCVEGCSA-N 0 0 310.419 2.478 10 30 DEEERN Cc1cc(NC(=O)[C@@H](C#N)c2nccn2Cc2ccccc2)no1 ZINC000179460124 331524341 /nfs/dbraw/zinc/52/43/41/331524341.db2.gz SBWFLXCTSMRVSF-AWEZNQCLSA-N 0 0 321.340 2.474 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C1(C(=O)OC(C)(C)C)CC1 ZINC000568048187 331675202 /nfs/dbraw/zinc/67/52/02/331675202.db2.gz FKQNHDQVLNBJES-STQMWFEESA-N 0 0 309.406 2.206 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000518296549 332008639 /nfs/dbraw/zinc/00/86/39/332008639.db2.gz JZHCMXHOQXLIDV-NHYWBVRUSA-N 0 0 301.346 2.381 10 30 DEEERN N#C[C@H]1CN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)CCO1 ZINC000186689896 332941210 /nfs/dbraw/zinc/94/12/10/332941210.db2.gz RIDBWCLSYNAMBB-ZDUSSCGKSA-N 0 0 324.302 2.488 10 30 DEEERN C=CCn1c([C@H]2CCCO2)nnc1N1CCC[C@]2(CCOC2)C1 ZINC000562789904 332626932 /nfs/dbraw/zinc/62/69/32/332626932.db2.gz CMXSERSBJOKJSS-PBHICJAKSA-N 0 0 318.421 2.323 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N(C)[C@H](C)c1ccccn1 ZINC000565222078 332647916 /nfs/dbraw/zinc/64/79/16/332647916.db2.gz MUMQATPGAOQLBB-CQSZACIVSA-N 0 0 303.406 2.464 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cnn(C)c1C(F)(F)F ZINC000563029582 333077601 /nfs/dbraw/zinc/07/76/01/333077601.db2.gz PFLOXEANKLPZIO-WPRPVWTQSA-N 0 0 318.299 2.152 10 30 DEEERN C[C@H](C#N)CNC(=O)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000181984621 333148060 /nfs/dbraw/zinc/14/80/60/333148060.db2.gz CQAZWAZLBOUUDM-MLGOLLRUSA-N 0 0 309.410 2.442 10 30 DEEERN C=CCSCCNC(=O)C(=O)Nc1cc(F)cc(F)c1F ZINC000340050140 334116762 /nfs/dbraw/zinc/11/67/62/334116762.db2.gz ZXFCDJOYVAJZNY-UHFFFAOYSA-N 0 0 318.320 2.078 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cccc2c1CCO2 ZINC000520248437 335949060 /nfs/dbraw/zinc/94/90/60/335949060.db2.gz CKDXUZSHUFAMGC-UHFFFAOYSA-N 0 0 302.374 2.423 10 30 DEEERN C=CCOc1ccc(C(=O)N(CC)Cc2cn(C)nn2)cc1 ZINC000359127663 336659064 /nfs/dbraw/zinc/65/90/64/336659064.db2.gz QIOYNORYPZTAHV-UHFFFAOYSA-N 0 0 300.362 2.042 10 30 DEEERN O=[N+]([O-])c1ccc(NN=CNNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000584604283 337371226 /nfs/dbraw/zinc/37/12/26/337371226.db2.gz VLARNMWHTDNQEM-UHFFFAOYSA-N 0 0 316.277 2.475 10 30 DEEERN COc1ccc(S(=O)(=O)[C@H](C#N)c2nccnc2Cl)cc1 ZINC000584628867 337376448 /nfs/dbraw/zinc/37/64/48/337376448.db2.gz XIZVACLSGGNGCE-LLVKDONJSA-N 0 0 323.761 2.177 10 30 DEEERN C[C@H](c1cccc(/C=N/NO)c1)N(C)CC(=O)OC(C)(C)C ZINC000584642993 337380236 /nfs/dbraw/zinc/38/02/36/337380236.db2.gz ZBGPODHJVWEXDX-YXHQGMJNSA-N 0 0 307.394 2.334 10 30 DEEERN C=CCn1c(C)nnc1N1CCO[C@H](c2cccc(O)c2)C1 ZINC000571927936 337582087 /nfs/dbraw/zinc/58/20/87/337582087.db2.gz UJIDZHFVUJOFNY-HNNXBMFYSA-N 0 0 300.362 2.056 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000516037468 338002862 /nfs/dbraw/zinc/00/28/62/338002862.db2.gz MWDYEFMOGKMULJ-LZLYRXPVSA-N 0 0 311.385 2.172 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1C[C@]1(C)Br ZINC000529246693 340750104 /nfs/dbraw/zinc/75/01/04/340750104.db2.gz MRVJSAVQWRMHEX-DCQANWLSSA-N 0 0 302.212 2.257 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000545929722 341146801 /nfs/dbraw/zinc/14/68/01/341146801.db2.gz PYJHLVPZVIEXIE-APPDUMDISA-N 0 0 315.373 2.282 10 30 DEEERN C=CCN1CC[C@@H](N(C)Cc2nc3ccccc3n2CC)C1=O ZINC000546698858 341179446 /nfs/dbraw/zinc/17/94/46/341179446.db2.gz MGLHNAMWQRYJNM-MRXNPFEDSA-N 0 0 312.417 2.275 10 30 DEEERN C=C[C@@](C)(CC)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000134994419 341228372 /nfs/dbraw/zinc/22/83/72/341228372.db2.gz VWPXKKLRTXYUTR-KRWDZBQOSA-N 0 0 318.421 2.483 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC000548852618 341278056 /nfs/dbraw/zinc/27/80/56/341278056.db2.gz OSASDLUNHGVYII-KRWDZBQOSA-N 0 0 320.437 2.048 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N(C)C1CCOCC1 ZINC000554580463 341458930 /nfs/dbraw/zinc/45/89/30/341458930.db2.gz WVSFDQZUPIYWFW-UHFFFAOYSA-N 0 0 316.401 2.381 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc2c(c1)SCC(=O)N2 ZINC000564859299 341511669 /nfs/dbraw/zinc/51/16/69/341511669.db2.gz YBMWCVJFBLXVFU-AAEUAGOBSA-N 0 0 318.398 2.052 10 30 DEEERN C=CCn1cc(CNC(=O)N[C@@H]2CCCC[C@H]2C(C)C)nn1 ZINC000566141630 341548807 /nfs/dbraw/zinc/54/88/07/341548807.db2.gz LAMLOGICXKPQEV-LSDHHAIUSA-N 0 0 305.426 2.478 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000566479197 341559353 /nfs/dbraw/zinc/55/93/53/341559353.db2.gz YFGWDLJGRZHIOR-UHFFFAOYSA-N 0 0 323.374 2.491 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC000580537567 341806447 /nfs/dbraw/zinc/80/64/47/341806447.db2.gz WDMSNGMIFDWCBH-RDBSUJKOSA-N 0 0 306.410 2.177 10 30 DEEERN C=CCC1(C(=O)Nc2ccc3nc(C)nn3c2)CCOCC1 ZINC000577276088 341901651 /nfs/dbraw/zinc/90/16/51/341901651.db2.gz PADRENNRAPOGJG-UHFFFAOYSA-N 0 0 300.362 2.349 10 30 DEEERN N#Cc1ccc(CC(=O)N2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000178081254 341943670 /nfs/dbraw/zinc/94/36/70/341943670.db2.gz OIYYQZZCQRSMGK-KRWDZBQOSA-N 0 0 307.353 2.176 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cncc(C(=O)OC)c1 ZINC000535736476 500571313 /nfs/dbraw/zinc/57/13/13/500571313.db2.gz JYACZAOFDMNAML-UHFFFAOYSA-N 0 0 302.252 2.059 10 30 DEEERN Cc1c(C(=O)N2CCO[C@@H](C#N)C2)sc2nccc(C)c12 ZINC000408096120 533757210 /nfs/dbraw/zinc/75/72/10/533757210.db2.gz VVEVZXBTVIVTLD-NSHDSACASA-N 0 0 301.371 2.278 10 30 DEEERN CS[C@@H](CO)[C@H](C)Nc1ncc(Br)cc1C#N ZINC000297280848 533938261 /nfs/dbraw/zinc/93/82/61/533938261.db2.gz XJBYOQRHNHGTBW-XVKPBYJWSA-N 0 0 316.224 2.240 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCCC1CCOCC1 ZINC000454911466 534349661 /nfs/dbraw/zinc/34/96/61/534349661.db2.gz YAWGSVJORBFQPD-HZPDHXFCSA-N 0 0 310.438 2.474 10 30 DEEERN C=CCCCS(=O)(=O)N[C@@H](c1nnc2ccccn21)C(C)C ZINC000489556762 534744848 /nfs/dbraw/zinc/74/48/48/534744848.db2.gz BAGZJZCFTYPEEV-CQSZACIVSA-N 0 0 322.434 2.312 10 30 DEEERN O=C(N[C@H]1CCc2ccccc21)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000330057273 534777876 /nfs/dbraw/zinc/77/78/76/534777876.db2.gz XFIIFJBUBIUVIC-WFASDCNBSA-N 0 0 310.357 2.407 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000456755010 534791079 /nfs/dbraw/zinc/79/10/79/534791079.db2.gz JNAWSNRGFGEIOG-LBPRGKRZSA-N 0 0 308.334 2.050 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000190718918 526289507 /nfs/dbraw/zinc/28/95/07/526289507.db2.gz NYZLCXHIZRULQK-LBPRGKRZSA-N 0 0 306.362 2.320 10 30 DEEERN CC#CCN(C)C(=O)C(=O)Nc1cc(F)ccc1OC(C)C ZINC000293439843 526343168 /nfs/dbraw/zinc/34/31/68/526343168.db2.gz MGFKMOKUOFSLFS-UHFFFAOYSA-N 0 0 306.337 2.033 10 30 DEEERN CC#CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000190499339 526368122 /nfs/dbraw/zinc/36/81/22/526368122.db2.gz AACDMQLXUOSFLZ-UHFFFAOYSA-N 0 0 308.765 2.205 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)c2c[nH]c3cc(F)ccc23)C1=O ZINC000337100521 526464773 /nfs/dbraw/zinc/46/47/73/526464773.db2.gz VLXSELKTJICYFB-OAHLLOKOSA-N 0 0 315.348 2.166 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)Nc1csc(-c2ccccn2)n1 ZINC000358367791 526482574 /nfs/dbraw/zinc/48/25/74/526482574.db2.gz RADHIPISGUQZSX-UHFFFAOYSA-N 0 0 316.386 2.178 10 30 DEEERN C=C(C)CN(C)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188394777 526491533 /nfs/dbraw/zinc/49/15/33/526491533.db2.gz GZLBSDRKEGDUTM-OAHLLOKOSA-N 0 0 319.380 2.144 10 30 DEEERN C=C(C)CN(CC)C(=O)CSCc1cnc(OC)nc1C ZINC000358482341 526528686 /nfs/dbraw/zinc/52/86/86/526528686.db2.gz KVXLGCUUNVVWQN-UHFFFAOYSA-N 0 0 309.435 2.451 10 30 DEEERN CC(=O)N1CCC(CCC(=O)NC2(C#N)CCCCC2)CC1 ZINC000408004596 526531406 /nfs/dbraw/zinc/53/14/06/526531406.db2.gz YOWLVQPENHBABW-UHFFFAOYSA-N 0 0 305.422 2.368 10 30 DEEERN C=C(C)CN(CC)c1nnc([C@H]2COCCO2)n1CC(=C)C ZINC000293037968 526550563 /nfs/dbraw/zinc/55/05/63/526550563.db2.gz QLPLWAJZIDRLDI-CQSZACIVSA-N 0 0 306.410 2.345 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCOC[C@H]1C ZINC000342381597 526557275 /nfs/dbraw/zinc/55/72/75/526557275.db2.gz STKLGVOHSOVGNX-CZUORRHYSA-N 0 0 307.390 2.349 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000346740141 526558165 /nfs/dbraw/zinc/55/81/65/526558165.db2.gz GLRVBCSZQNSGPG-HOTGVXAUSA-N 0 0 315.417 2.314 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000370702177 526559748 /nfs/dbraw/zinc/55/97/48/526559748.db2.gz XEHYRSNFHWTSTK-MQMHXKEQSA-N 0 0 321.808 2.187 10 30 DEEERN C=CCNC(=O)Cc1noc(-c2cc3cc(OC)ccc3[nH]2)n1 ZINC000346959390 526579261 /nfs/dbraw/zinc/57/92/61/526579261.db2.gz ITMBRVILVGYOJS-UHFFFAOYSA-N 0 0 312.329 2.071 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N(CC)[C@@H]2CCOC2)cc1 ZINC000361635496 526647180 /nfs/dbraw/zinc/64/71/80/526647180.db2.gz IYIMAHGKFXDAKA-OAHLLOKOSA-N 0 0 317.389 2.245 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCN(c2cccc(F)c2F)CC1 ZINC000287518353 526672158 /nfs/dbraw/zinc/67/21/58/526672158.db2.gz RFODTPZXDBBDGL-UHFFFAOYSA-N 0 0 316.351 2.276 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccc(OCCCOC)cc1 ZINC000289234108 526672903 /nfs/dbraw/zinc/67/29/03/526672903.db2.gz DQUVTNXZJSOGOM-UHFFFAOYSA-N 0 0 313.397 2.381 10 30 DEEERN C=C(C)CS(=O)(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000189724418 526685647 /nfs/dbraw/zinc/68/56/47/526685647.db2.gz BDYDSIWHOQYLNC-ZDUSSCGKSA-N 0 0 305.403 2.429 10 30 DEEERN C#CCCCNC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000176668411 526714507 /nfs/dbraw/zinc/71/45/07/526714507.db2.gz LZIVQRQBTMNRSU-LBPRGKRZSA-N 0 0 306.797 2.026 10 30 DEEERN C=C(C)Cn1c(CC2CC2)nnc1N1CCO[C@@H](C2CC2)C1 ZINC000338866557 526728037 /nfs/dbraw/zinc/72/80/37/526728037.db2.gz SNERSXBVLWSLSK-OAHLLOKOSA-N 0 0 302.422 2.422 10 30 DEEERN C=CCOCCNC(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000378075159 526777961 /nfs/dbraw/zinc/77/79/61/526777961.db2.gz GFXKYQNLHJKKDT-CVEARBPZSA-N 0 0 304.390 2.409 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N(Cc2ccc(C3CC3)cc2)C1=O ZINC000348621789 526797722 /nfs/dbraw/zinc/79/77/22/526797722.db2.gz SFPQTYTZMHNBSI-HNNXBMFYSA-N 0 0 300.358 2.187 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCN(c2cnccc2C)CC1)OCC ZINC000337244213 526809634 /nfs/dbraw/zinc/80/96/34/526809634.db2.gz BZEZOOPCDJGYHJ-KRWDZBQOSA-N 0 0 317.433 2.410 10 30 DEEERN C=C(C)[C@H](CC(=O)NCCCNC(=O)c1ccccc1)OCC ZINC000339204883 526812319 /nfs/dbraw/zinc/81/23/19/526812319.db2.gz YQFMTKBPNDYGEJ-INIZCTEOSA-N 0 0 318.417 2.294 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CCN(CC(F)F)CC2)cc1 ZINC000294791191 526855939 /nfs/dbraw/zinc/85/59/39/526855939.db2.gz SSSSTUMGUOBXNB-UHFFFAOYSA-N 0 0 324.371 2.203 10 30 DEEERN C=C(CNC(=O)N1CCN(c2cccnn2)CC1)c1ccccc1 ZINC000288146904 526868137 /nfs/dbraw/zinc/86/81/37/526868137.db2.gz YVQFZRVFUPGBJE-UHFFFAOYSA-N 0 0 323.400 2.022 10 30 DEEERN C=CCOc1ccccc1CN1C[C@@H](C)S(=O)(=O)[C@@H](C)C1 ZINC000356524359 526934202 /nfs/dbraw/zinc/93/42/02/526934202.db2.gz KUTKSVJALCBOFJ-OKILXGFUSA-N 0 0 309.431 2.259 10 30 DEEERN C=CCOc1ccccc1CNC(=O)C[C@@H]1CCOC[C@H]1OC ZINC000294645637 526937422 /nfs/dbraw/zinc/93/74/22/526937422.db2.gz PGRJGARXGSNCQT-WMLDXEAASA-N 0 0 319.401 2.309 10 30 DEEERN C=CC1CCN(C(=O)NC[C@H]2CC[C@@H](c3nc(C)no3)O2)CC1 ZINC000333495172 526966642 /nfs/dbraw/zinc/96/66/42/526966642.db2.gz BVWDLMAHXNEPRH-KGLIPLIRSA-N 0 0 320.393 2.206 10 30 DEEERN C=CCS(=O)(=O)CCNC(=O)Nc1ccc2c(c1)CCCC2 ZINC000297408389 526975691 /nfs/dbraw/zinc/97/56/91/526975691.db2.gz NBTORINWWYWWEY-UHFFFAOYSA-N 0 0 322.430 2.288 10 30 DEEERN C=CCC(CC=C)C(=O)N1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000364429259 527023472 /nfs/dbraw/zinc/02/34/72/527023472.db2.gz XQGIDHVXHAPNBL-UHFFFAOYSA-N 0 0 315.417 2.458 10 30 DEEERN C=CC[C@@H](CC)NC(=O)[C@H](NC(=O)c1ccccn1)C(C)C ZINC000341644888 527049972 /nfs/dbraw/zinc/04/99/72/527049972.db2.gz GFIYTTDNDQWVBF-UKRRQHHQSA-N 0 0 303.406 2.307 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1cccc(OCC(F)F)c1 ZINC000183295938 527091707 /nfs/dbraw/zinc/09/17/07/527091707.db2.gz WOEOHFKNQBRTHX-LBPRGKRZSA-N 0 0 314.332 2.067 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(OC)c(-c2ccccn2)c1 ZINC000185920322 527099489 /nfs/dbraw/zinc/09/94/89/527099489.db2.gz AAROALLDRLOXLG-AWEZNQCLSA-N 0 0 312.369 2.424 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1csc(-c2ncccc2F)n1 ZINC000337054605 527100691 /nfs/dbraw/zinc/10/06/91/527100691.db2.gz UGWPTSMHKNTVLJ-VIFPVBQESA-N 0 0 307.350 2.011 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N1CCC(=O)[C@H](C)C1 ZINC000281012093 527111168 /nfs/dbraw/zinc/11/11/68/527111168.db2.gz QXHYVLDGDFWGKC-LLVKDONJSA-N 0 0 304.321 2.281 10 30 DEEERN C=CCCCC(=O)N[C@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000375315982 527111272 /nfs/dbraw/zinc/11/12/72/527111272.db2.gz COSAUYJEIPLHKG-INIZCTEOSA-N 0 0 300.402 2.303 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)N1CC[C@H](C)[C@@H](OC)C1 ZINC000410641274 527117619 /nfs/dbraw/zinc/11/76/19/527117619.db2.gz KVKCCXUNNMIMNV-GJZGRUSLSA-N 0 0 310.438 2.075 10 30 DEEERN C=CC[C@H](C)NC(=O)C(=O)Nc1cc(OC)cc(OC)c1C ZINC000337500830 527124574 /nfs/dbraw/zinc/12/45/74/527124574.db2.gz KGZGPOSBESAPLJ-JTQLQIEISA-N 0 0 306.362 2.032 10 30 DEEERN C#CCOc1ccccc1NC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000188068069 527132966 /nfs/dbraw/zinc/13/29/66/527132966.db2.gz HILRXLLIPQKBMN-CQSZACIVSA-N 0 0 324.384 2.454 10 30 DEEERN C#CCOc1ccccc1NC(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000188083997 527134110 /nfs/dbraw/zinc/13/41/10/527134110.db2.gz FMBOVSVORZXVII-SJLPKXTDSA-N 0 0 322.364 2.478 10 30 DEEERN C=CC[C@H](C)NC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000355836345 527134210 /nfs/dbraw/zinc/13/42/10/527134210.db2.gz AQTQBKUQXKILGD-LBPRGKRZSA-N 0 0 319.409 2.028 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000341387503 527148731 /nfs/dbraw/zinc/14/87/31/527148731.db2.gz VIKVZRUUXWNGBQ-AWEZNQCLSA-N 0 0 313.405 2.140 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC(F)(F)C[C@@H]1CO ZINC000377251086 527160066 /nfs/dbraw/zinc/16/00/66/527160066.db2.gz FFCKZNFKBSLRPX-LSDHHAIUSA-N 0 0 322.355 2.033 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](CC)[C@H](O)C(F)F ZINC000298101084 527173873 /nfs/dbraw/zinc/17/38/73/527173873.db2.gz WSPVHTPEVMHXIT-KFWWJZLASA-N 0 0 324.371 2.325 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000340340119 527176203 /nfs/dbraw/zinc/17/62/03/527176203.db2.gz YXYKSYPZSHPVIR-GJZGRUSLSA-N 0 0 310.438 2.123 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H]1C[C@H](OCC)C12CCCC2 ZINC000355738462 527178804 /nfs/dbraw/zinc/17/88/04/527178804.db2.gz ZVONUSWTRQGXFO-GJZGRUSLSA-N 0 0 322.449 2.265 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(-c2ccnn2C)ccc1C ZINC000282027629 527201328 /nfs/dbraw/zinc/20/13/28/527201328.db2.gz SUDXXEIUQDJHOE-CQSZACIVSA-N 0 0 314.389 2.454 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@H](c1c(F)cccc1Cl)N(C)C ZINC000337030131 527205015 /nfs/dbraw/zinc/20/50/15/527205015.db2.gz FMRSTJLZOXKYFF-YGRLFVJLSA-N 0 0 314.788 2.135 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000185860495 527206356 /nfs/dbraw/zinc/20/63/56/527206356.db2.gz HAWPTIHDAPVSCK-GFCCVEGCSA-N 0 0 305.765 2.397 10 30 DEEERN C=CCCCNC(=O)NCc1ccccc1N1CCOCC1 ZINC000448134633 527221154 /nfs/dbraw/zinc/22/11/54/527221154.db2.gz LXEMQXOWSUQHFR-UHFFFAOYSA-N 0 0 303.406 2.289 10 30 DEEERN CC(C)(Cc1ccccc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371733400 527234840 /nfs/dbraw/zinc/23/48/40/527234840.db2.gz USHQYFOTOQNFIP-KRWDZBQOSA-N 0 0 311.429 2.454 10 30 DEEERN CC(=O)c1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)[nH]1 ZINC000408071057 527242829 /nfs/dbraw/zinc/24/28/29/527242829.db2.gz OXERVUVFTDPLQL-NVXWUHKLSA-N 0 0 315.373 2.285 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000341466263 527291458 /nfs/dbraw/zinc/29/14/58/527291458.db2.gz VQURYWHMTVLNKQ-BFHYXJOUSA-N 0 0 300.443 2.188 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000351075721 527316844 /nfs/dbraw/zinc/31/68/44/527316844.db2.gz QMEKLEQIDKMGTG-KBPBESRZSA-N 0 0 319.453 2.143 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N1CCO[C@@H](CC)C1 ZINC000337811392 527319819 /nfs/dbraw/zinc/31/98/19/527319819.db2.gz LFLDLMNDTQKYKD-AWEZNQCLSA-N 0 0 316.405 2.458 10 30 DEEERN C=CCn1c(N2CC[C@@H](c3cnn(C)c3)C2)nnc1C(C)(C)C ZINC000282260874 527329865 /nfs/dbraw/zinc/32/98/65/527329865.db2.gz LLUSGVFETUZWFV-CYBMUJFWSA-N 0 0 314.437 2.489 10 30 DEEERN C#C[C@H](C)NC(=O)[C@H]1CCCCN1C(=O)c1cc(C)cc(C)c1 ZINC000368378269 527342616 /nfs/dbraw/zinc/34/26/16/527342616.db2.gz YDBDBHKFOWPMLX-DOTOQJQBSA-N 0 0 312.413 2.436 10 30 DEEERN C#C[C@H](C)NC(=O)[C@@]1(CC=C)CCCN1C(=O)OC(C)(C)C ZINC000190383407 527343216 /nfs/dbraw/zinc/34/32/16/527343216.db2.gz DGUBHWRZEBBZOV-SUMWQHHRSA-N 0 0 306.406 2.470 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N(CC(C)C)C(C)C ZINC000289645414 527360346 /nfs/dbraw/zinc/36/03/46/527360346.db2.gz LJJWRAIHWDVDGB-CQSZACIVSA-N 0 0 308.426 2.423 10 30 DEEERN C=C[C@@H](C)NC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1 ZINC000155737561 527410847 /nfs/dbraw/zinc/41/08/47/527410847.db2.gz WPZCPPGGWOETJW-RHSMWYFYSA-N 0 0 323.396 2.113 10 30 DEEERN C=CCC[C@H](NC(=O)N1CCO[C@H]([C@H](C)O)C1)c1ccccc1 ZINC000413403474 527477558 /nfs/dbraw/zinc/47/75/58/527477558.db2.gz OBCXFZZJJAUDFT-XIRDDKMYSA-N 0 0 318.417 2.485 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000337642286 527502153 /nfs/dbraw/zinc/50/21/53/527502153.db2.gz HCPRMXRANCMTGW-ZBFHGGJFSA-N 0 0 316.401 2.021 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1nnc2n1CCCCC2 ZINC000372675121 527533462 /nfs/dbraw/zinc/53/34/62/527533462.db2.gz NTCKJLNIGQUNSV-DYVFJYSZSA-N 0 0 320.437 2.411 10 30 DEEERN C=CCN(C(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C1CC1 ZINC000347903538 527543167 /nfs/dbraw/zinc/54/31/67/527543167.db2.gz AGQWHMLRTYZOFW-HNNXBMFYSA-N 0 0 301.390 2.013 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cc(Cn2cccn2)on1 ZINC000292624311 527588238 /nfs/dbraw/zinc/58/82/38/527588238.db2.gz GJOVENUSQOBUEW-UHFFFAOYSA-N 0 0 314.267 2.110 10 30 DEEERN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)CC#N ZINC000375447197 527933601 /nfs/dbraw/zinc/93/36/01/527933601.db2.gz IUDAEEFQKYRDCZ-KRWDZBQOSA-N 0 0 300.358 2.067 10 30 DEEERN CCCC1(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCC1 ZINC000370426392 528048256 /nfs/dbraw/zinc/04/82/56/528048256.db2.gz XQNRJSMTLQYEHU-OAHLLOKOSA-N 0 0 304.438 2.339 10 30 DEEERN CC1CCC(N2C[C@H](C(=O)N[C@@H]3CCC[C@H]3C#N)CC2=O)CC1 ZINC000408332388 528196288 /nfs/dbraw/zinc/19/62/88/528196288.db2.gz WKFLMGXMAWBAND-JXLIZBIESA-N 0 0 317.433 2.222 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000189123619 528614124 /nfs/dbraw/zinc/61/41/24/528614124.db2.gz AYUGEPBVTXYKIP-JTQLQIEISA-N 0 0 314.345 2.083 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](c2nccs2)C1 ZINC000249900049 528621026 /nfs/dbraw/zinc/62/10/26/528621026.db2.gz SVMYVCKVHLVLMZ-UONOGXRCSA-N 0 0 320.462 2.331 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000189154730 528686755 /nfs/dbraw/zinc/68/67/55/528686755.db2.gz IYMIBRWBZZXPJN-OLZOCXBDSA-N 0 0 317.389 2.341 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)CN1CCO[C@@H](c2cccs2)C1 ZINC000247396879 528694144 /nfs/dbraw/zinc/69/41/44/528694144.db2.gz LXLSNBBNFASJMP-ZIAGYGMSSA-N 0 0 321.446 2.130 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)c3ccc(C)o3)C2)n1 ZINC000328613619 528747476 /nfs/dbraw/zinc/74/74/76/528747476.db2.gz SUTZARKNBRIIPU-GFCCVEGCSA-N 0 0 302.334 2.480 10 30 DEEERN CCCc1nc(CN2CC[C@@H](n3ccc(NC(C)=O)n3)C2)no1 ZINC000328643365 528748649 /nfs/dbraw/zinc/74/86/49/528748649.db2.gz YUXYOKQUAUNAGA-GFCCVEGCSA-N 0 0 318.381 2.274 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000183937867 529298575 /nfs/dbraw/zinc/29/85/75/529298575.db2.gz BVVDQQCEDRJDPN-PWSUYJOCSA-N 0 0 321.327 2.126 10 30 DEEERN CC[C@H](CC#N)NS(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000192649402 529301116 /nfs/dbraw/zinc/30/11/16/529301116.db2.gz ZXBLBFBRQMHKLT-GFCCVEGCSA-N 0 0 308.403 2.371 10 30 DEEERN CCCn1c(=O)[nH]nc1SCc1ccc(OC)c(C#N)c1 ZINC000087833754 535580527 /nfs/dbraw/zinc/58/05/27/535580527.db2.gz LEISHXQCYLYJAI-UHFFFAOYSA-N 0 0 304.375 2.154 10 30 DEEERN C#CCN(CC#C)C(=O)c1ccc(CNC(=O)OC(C)(C)C)o1 ZINC000175717056 622605682 /nfs/dbraw/zinc/60/56/82/622605682.db2.gz ZZZSQBICVJUORI-UHFFFAOYSA-N 0 0 316.357 2.013 10 30 DEEERN CCO/C=C(/C(=O)OCC)C(=O)C(F)(F)Br ZINC000757124102 622983359 /nfs/dbraw/zinc/98/33/59/622983359.db2.gz ZQSXTLWQYJQEFQ-AATRIKPKSA-N 0 0 301.083 2.027 10 30 DEEERN N#Cc1ccc(Oc2ccc(OC(=O)[C@H]3CNC(=O)C3)cc2)cc1 ZINC000175818216 623521091 /nfs/dbraw/zinc/52/10/91/623521091.db2.gz FJBBTRUBTBAZAF-CYBMUJFWSA-N 0 0 322.320 2.392 10 30 DEEERN C=C[C@@H](C)OC(=O)CSc1nncn1-c1ccc(OC)cc1 ZINC000187618692 624152551 /nfs/dbraw/zinc/15/25/51/624152551.db2.gz BNMIBJIKBIDOTI-LLVKDONJSA-N 0 0 319.386 2.486 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CSCCS1 ZINC000176061553 624583692 /nfs/dbraw/zinc/58/36/92/624583692.db2.gz RQFHBPNOXGVXSU-YPMHNXCESA-N 0 0 322.455 2.290 10 30 DEEERN O=C(Cn1cc([N+](=O)[O-])cn1)OCC#Cc1ccc(Cl)cc1 ZINC000177894598 625104845 /nfs/dbraw/zinc/10/48/45/625104845.db2.gz LTYHWHNCKAFZFN-UHFFFAOYSA-N 0 0 319.704 2.040 10 30 DEEERN C=C(COC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C(=O)OCC ZINC000734025279 633317674 /nfs/dbraw/zinc/31/76/74/633317674.db2.gz JGTKSAXRXCOQEX-CYBMUJFWSA-N 0 0 310.733 2.306 10 30 DEEERN C=C(COC(=O)/C=C/c1cnc2ccccc2n1)C(=O)OCC ZINC000734025653 633317775 /nfs/dbraw/zinc/31/77/75/633317775.db2.gz ZPYAUMVKWYWVAA-CMDGGOBGSA-N 0 0 312.325 2.306 10 30 DEEERN Cc1nsc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1C#N ZINC000333402620 633404638 /nfs/dbraw/zinc/40/46/38/633404638.db2.gz FFYVVKZFOQGEPW-SNVBAGLBSA-N 0 0 318.402 2.053 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000734955071 633445217 /nfs/dbraw/zinc/44/52/17/633445217.db2.gz PPBHGVZPIWOWQE-UHFFFAOYSA-N 0 0 314.385 2.476 10 30 DEEERN CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[S@](=O)CC ZINC000735109765 633467697 /nfs/dbraw/zinc/46/76/97/633467697.db2.gz JSUWFXFUAYKAPV-JOCHJYFZSA-N 0 0 321.446 2.248 10 30 DEEERN C#CC[C@H](OC(=O)CCCn1ccccc1=O)c1ccccn1 ZINC000735210577 633491052 /nfs/dbraw/zinc/49/10/52/633491052.db2.gz AOQXNPGLSDIVBV-INIZCTEOSA-N 0 0 310.353 2.331 10 30 DEEERN CN1C(=O)N=NC1SCc1cc(Cl)ccc1OCC#N ZINC000735302802 633495952 /nfs/dbraw/zinc/49/59/52/633495952.db2.gz GUSJEAINIQJUQC-UHFFFAOYSA-N 0 0 310.766 2.369 10 30 DEEERN CNC(=O)[C@@H]1CCCCN1Cc1cc(Cl)ccc1OCC#N ZINC000735308350 633500157 /nfs/dbraw/zinc/50/01/57/633500157.db2.gz IIBPMDCTNHZFJQ-AWEZNQCLSA-N 0 0 321.808 2.343 10 30 DEEERN N#CCOc1ccc(Cl)cc1CN(CC(N)=O)C1CCCC1 ZINC000735308698 633501009 /nfs/dbraw/zinc/50/10/09/633501009.db2.gz POYMJORUYDIREO-UHFFFAOYSA-N 0 0 321.808 2.472 10 30 DEEERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCSCC1 ZINC000053802784 634229807 /nfs/dbraw/zinc/22/98/07/634229807.db2.gz LBKSJEWRTZTMFI-UHFFFAOYSA-N 0 0 301.371 2.439 10 30 DEEERN C#Cc1cccc(NC(=S)NCCNC(=O)c2ccccc2)c1 ZINC000726455903 636435263 /nfs/dbraw/zinc/43/52/63/636435263.db2.gz SAQOVBFRPQMVMM-UHFFFAOYSA-N 0 0 323.421 2.384 10 30 DEEERN COCCN(C/C=C(\C)C(=O)OC)Cc1ccc(C#N)cc1 ZINC000748815440 637314123 /nfs/dbraw/zinc/31/41/23/637314123.db2.gz NCVOTRMZPOECEZ-RIYZIHGNSA-N 0 0 302.374 2.126 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc(OC)c2ccccc21 ZINC000186656562 637350057 /nfs/dbraw/zinc/35/00/57/637350057.db2.gz KMWHGRANLPXBJC-GFCCVEGCSA-N 0 0 321.398 2.064 10 30 DEEERN C#CCCNC(=O)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000738479319 637455838 /nfs/dbraw/zinc/45/58/38/637455838.db2.gz YRHPHLWVUXMUPJ-UHFFFAOYSA-N 0 0 305.447 2.161 10 30 DEEERN Cc1nc(Cl)cc(N=NCc2ccc(-n3cncn3)cc2)n1 ZINC000741765229 638009947 /nfs/dbraw/zinc/00/99/47/638009947.db2.gz AOFHOMPFXJWJLN-UHFFFAOYSA-N 0 0 313.752 2.465 10 30 DEEERN C[C@]1(c2ccccc2)C[C@@H]1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000743642660 638164412 /nfs/dbraw/zinc/16/44/12/638164412.db2.gz UPIBTYGIOBQRBW-ZIFCJYIRSA-N 0 0 324.428 2.098 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)CCN1C1CC1 ZINC000743643228 638164506 /nfs/dbraw/zinc/16/45/06/638164506.db2.gz XGNRRYBIVYMXOB-ZACQAIPSSA-N 0 0 316.449 2.337 10 30 DEEERN COc1ccc(CNc2ccc3nnc(C4CC4)n3n2)cc1C#N ZINC000746704639 638371389 /nfs/dbraw/zinc/37/13/89/638371389.db2.gz FOPUQGYDKYXUIV-UHFFFAOYSA-N 0 0 320.356 2.494 10 30 DEEERN COc1ccc(CNC(=O)Cc2ccccc2OC)cc1C#N ZINC000746877279 638383755 /nfs/dbraw/zinc/38/37/55/638383755.db2.gz POOWOSPQICUBGN-UHFFFAOYSA-N 0 0 310.353 2.434 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3)cc2C1=O ZINC000746889593 638384984 /nfs/dbraw/zinc/38/49/84/638384984.db2.gz UVDWGTYLHKWFRP-UHFFFAOYSA-N 0 0 322.320 2.427 10 30 DEEERN C#Cc1ccc(C(=O)N2CCC(CCC(=O)OCC)CC2)nc1 ZINC000749073256 638613017 /nfs/dbraw/zinc/61/30/17/638613017.db2.gz JJKZSEGJTBEKIV-UHFFFAOYSA-N 0 0 314.385 2.258 10 30 DEEERN C#Cc1ccc(C(=O)N2CCC(CCC(=O)OCC)CC2)cn1 ZINC000749087705 638613825 /nfs/dbraw/zinc/61/38/25/638613825.db2.gz ZLUBZTGXJUMGIR-UHFFFAOYSA-N 0 0 314.385 2.258 10 30 DEEERN C[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1ccncc1 ZINC000749475883 638654456 /nfs/dbraw/zinc/65/44/56/638654456.db2.gz OPSMALYIERQORP-CQSZACIVSA-N 0 0 309.369 2.446 10 30 DEEERN COC(=O)[C@@H](OC(=O)C1=COCCC1)c1cccc(C#N)c1 ZINC000751661870 639103158 /nfs/dbraw/zinc/10/31/58/639103158.db2.gz DOMZKWAOYOPTJM-AWEZNQCLSA-N 0 0 301.298 2.010 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1cc(F)c(F)cc1F)C(C)(C)C ZINC000805148405 639848088 /nfs/dbraw/zinc/84/80/88/639848088.db2.gz ASFBYPJWDXDFGC-LBPRGKRZSA-N 0 0 305.321 2.430 10 30 DEEERN C=CCOc1ccccc1C(=O)O[C@@H]1CC[C@@H](S(C)(=O)=O)C1 ZINC000752204038 639935328 /nfs/dbraw/zinc/93/53/28/639935328.db2.gz AAOLBNFVAHMXOJ-CHWSQXEVSA-N 0 0 324.398 2.374 10 30 DEEERN C[C@H]1OCC[C@H]1SCCS(=O)(=O)c1cccc(C#N)c1 ZINC000163469206 640639846 /nfs/dbraw/zinc/63/98/46/640639846.db2.gz IPXKJZPTBRDGNE-BXUZGUMPSA-N 0 0 311.428 2.243 10 30 DEEERN C#CCOc1ccccc1CNc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000089807958 641325408 /nfs/dbraw/zinc/32/54/08/641325408.db2.gz VIODZIMLPYZKGP-UHFFFAOYSA-N 0 0 320.352 2.286 10 30 DEEERN CO[C@@H]1C[C@H](c2nnc(C)o2)N(c2ccc(Cl)c(C#N)n2)C1 ZINC000779873501 642552960 /nfs/dbraw/zinc/55/29/60/642552960.db2.gz JOBYMGYYPMLWTE-BXKDBHETSA-N 0 0 319.752 2.265 10 30 DEEERN C#CCN1CCN(C(=O)c2cnccc2Oc2ccccc2)CC1 ZINC000800494772 645280692 /nfs/dbraw/zinc/28/06/92/645280692.db2.gz ZZSNNETVNKWFRB-UHFFFAOYSA-N 0 0 321.380 2.265 10 30 DEEERN C#CCOc1cccc(OC(=O)COCc2cc(C)no2)c1 ZINC000800885017 645317153 /nfs/dbraw/zinc/31/71/53/645317153.db2.gz QGOHXBHAINXAJO-UHFFFAOYSA-N 0 0 301.298 2.117 10 30 DEEERN C#CCOCCNC(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000801047622 645334766 /nfs/dbraw/zinc/33/47/66/645334766.db2.gz IERYDLQSSRSJOV-GFCCVEGCSA-N 0 0 318.339 2.400 10 30 DEEERN C#CCOc1ccccc1NC(=O)COCc1cc(C)no1 ZINC000801202025 645351971 /nfs/dbraw/zinc/35/19/71/645351971.db2.gz RHQNBJBJFWEBOQ-UHFFFAOYSA-N 0 0 300.314 2.150 10 30 DEEERN C#C[C@@H](C)Oc1ccc(COC(=O)CCc2nc(C)no2)cc1 ZINC000802808844 645561552 /nfs/dbraw/zinc/56/15/52/645561552.db2.gz TVLMAIZJSNTEIA-GFCCVEGCSA-N 0 0 314.341 2.455 10 30 DEEERN C[C@@H](C(=O)OCC(C1CCC1)C1CCC1)n1cnc(C#N)n1 ZINC000802942075 645581765 /nfs/dbraw/zinc/58/17/65/645581765.db2.gz PACPSVBYKHWXQR-NSHDSACASA-N 0 0 302.378 2.470 10 30 DEEERN C#C[C@@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@@H]1CCCO1 ZINC000803120913 645610087 /nfs/dbraw/zinc/61/00/87/645610087.db2.gz STUCGNOQJXAKGV-CVEARBPZSA-N 0 0 312.344 2.026 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1csc(-c2cnn(C)c2)n1 ZINC000803698210 645681202 /nfs/dbraw/zinc/68/12/02/645681202.db2.gz INNLUVYMHXYGHP-UHFFFAOYSA-N 0 0 313.382 2.250 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000803698743 645681906 /nfs/dbraw/zinc/68/19/06/645681906.db2.gz YRGXDOBNYFXZRR-ZNMIVQPWSA-N 0 0 303.402 2.085 10 30 DEEERN C=CCN(CC=C)C(=O)COC(=O)c1nc(C2CC2)oc1C ZINC000803920385 645716743 /nfs/dbraw/zinc/71/67/43/645716743.db2.gz ZAOKBBRKWSXGDV-UHFFFAOYSA-N 0 0 304.346 2.218 10 30 DEEERN CC(C)(C)OCC[C@H]1NC(=O)N(c2ccc(CC#N)cc2)C1=O ZINC000804200395 645739603 /nfs/dbraw/zinc/73/96/03/645739603.db2.gz HMSRQYRAELEWQU-CQSZACIVSA-N 0 0 315.373 2.383 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc2nnc(C)n2c1 ZINC000804452583 645773197 /nfs/dbraw/zinc/77/31/97/645773197.db2.gz IZYXVEATMRCAFU-KRWDZBQOSA-N 0 0 318.380 2.402 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](O)Cc1ccccc1 ZINC000804456525 645774009 /nfs/dbraw/zinc/77/40/09/645774009.db2.gz BNCRPZZVQZRGMN-OALUTQOASA-N 0 0 307.393 2.341 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cncc(C(=O)OC)c1 ZINC000804459050 645774185 /nfs/dbraw/zinc/77/41/85/645774185.db2.gz QCTVGRROMWNHNW-KRWDZBQOSA-N 0 0 322.364 2.233 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCCC(=O)NC(C)C ZINC000804455390 645774302 /nfs/dbraw/zinc/77/43/02/645774302.db2.gz HHKOKXIXYWSBJH-QGZVFWFLSA-N 0 0 314.429 2.432 10 30 DEEERN C#CCSCCNc1cncc(NCCSCC#C)n1 ZINC000804491025 645781303 /nfs/dbraw/zinc/78/13/03/645781303.db2.gz LDBWDWJTYKMHOA-UHFFFAOYSA-N 0 0 306.460 2.033 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000806383846 645825447 /nfs/dbraw/zinc/82/54/47/645825447.db2.gz OLIOLCJMAVBWNK-QGZVFWFLSA-N 0 0 305.381 2.289 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@]1(C)CO ZINC000807470735 645955292 /nfs/dbraw/zinc/95/52/92/645955292.db2.gz UPMTUIKXQZUKOC-SJLPKXTDSA-N 0 0 300.402 2.177 10 30 DEEERN C#CC[C@@H](OC(=O)CN(CCc1ccccc1)C(C)=O)C1CC1 ZINC000157019324 646493392 /nfs/dbraw/zinc/49/33/92/646493392.db2.gz DHNPGYKEKDMBOQ-GOSISDBHSA-N 0 0 313.397 2.423 10 30 DEEERN COC(C)(C)C(=O)OCCOc1c(C#N)cnc2ccccc21 ZINC000171700424 646710390 /nfs/dbraw/zinc/71/03/90/646710390.db2.gz PZBOHDNROMQCRM-UHFFFAOYSA-N 0 0 314.341 2.453 10 30 DEEERN CC[C@@H](C#N)Oc1cc(CNC(=O)C(C)(C)OC)ccc1OC ZINC000172007523 646718680 /nfs/dbraw/zinc/71/86/80/646718680.db2.gz TVMYIMJGHSQKRD-ZDUSSCGKSA-N 0 0 320.389 2.417 10 30 DEEERN C#CCCCNC(=O)[C@H](NC(=O)c1ccccc1)[C@H](C)CC ZINC000172922718 646754368 /nfs/dbraw/zinc/75/43/68/646754368.db2.gz MEANUPOUMRDHLP-GDBMZVCRSA-N 0 0 300.402 2.361 10 30 DEEERN C#C[C@H](OC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C)C1CC1 ZINC000152739416 647265547 /nfs/dbraw/zinc/26/55/47/647265547.db2.gz GCUMFTPHQWVPRE-OLZOCXBDSA-N 0 0 309.431 2.279 10 30 DEEERN C#CCN(C1CCCC1)S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000153084651 647349601 /nfs/dbraw/zinc/34/96/01/647349601.db2.gz KLIVSWRBQPQJNR-UHFFFAOYSA-N 0 0 305.399 2.188 10 30 DEEERN C#CCNC(=O)[C@@H](C)OC(=O)c1sccc1SC(F)F ZINC000730661022 647379231 /nfs/dbraw/zinc/37/92/31/647379231.db2.gz QRHLBSZDLAPYOV-SSDOTTSWSA-N 0 0 319.354 2.358 10 30 DEEERN C[C@@H](OC(=O)C1=COCCC1)C(=O)Nc1ccccc1C#N ZINC000730852197 647420827 /nfs/dbraw/zinc/42/08/27/647420827.db2.gz JTWLFYIGGAQDLF-LLVKDONJSA-N 0 0 300.314 2.123 10 30 DEEERN C#CCOc1cccc([C@H](C)OC(=O)CCCS(C)(=O)=O)c1 ZINC000731291876 647465814 /nfs/dbraw/zinc/46/58/14/647465814.db2.gz FKYJHNDHUHORDV-ZDUSSCGKSA-N 0 0 324.398 2.128 10 30 DEEERN C[C@@H]1CCCC[C@H]1NC(=S)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732626779 647632951 /nfs/dbraw/zinc/63/29/51/647632951.db2.gz OKEKYYMMDQDWNI-VHDGCEQUSA-N 0 0 306.479 2.112 10 30 DEEERN Cc1cccc(NC(=S)N2CCN(C3CC3)[C@@H](C#N)C2)c1 ZINC000732625655 647633046 /nfs/dbraw/zinc/63/30/46/647633046.db2.gz LTKJIQBPBKSHQJ-HNNXBMFYSA-N 0 0 300.431 2.364 10 30 DEEERN N#C[C@H]1CN(C(=O)c2ccc(-c3cnco3)cc2)CCN1C1CC1 ZINC000732650278 647635791 /nfs/dbraw/zinc/63/57/91/647635791.db2.gz MHVXNOPGFNFCKJ-INIZCTEOSA-N 0 0 322.368 2.154 10 30 DEEERN Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732673954 647640067 /nfs/dbraw/zinc/64/00/67/647640067.db2.gz CQMPZBNLPQJMEG-AEFFLSMTSA-N 0 0 324.428 2.364 10 30 DEEERN Cn1ccc2c1cccc2NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732698874 647643662 /nfs/dbraw/zinc/64/36/62/647643662.db2.gz MHGJRLYBHRGXFC-CQSZACIVSA-N 0 0 323.400 2.382 10 30 DEEERN Cn1ccc2c1cccc2NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732698873 647643673 /nfs/dbraw/zinc/64/36/73/647643673.db2.gz MHGJRLYBHRGXFC-AWEZNQCLSA-N 0 0 323.400 2.382 10 30 DEEERN C#CCOCCC(=O)N[C@H](CC(=O)OCC)c1ccccc1C ZINC000154706695 648073286 /nfs/dbraw/zinc/07/32/86/648073286.db2.gz HHJANLJGEBQKAF-MRXNPFEDSA-N 0 0 317.385 2.145 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000183210424 649046641 /nfs/dbraw/zinc/04/66/41/649046641.db2.gz LRJIJXYJZJILEA-KRWDZBQOSA-N 0 0 324.380 2.345 10 30 DEEERN C#CCOc1ccccc1OC(=O)c1ccc2nnn(C)c2c1 ZINC000183844647 649179745 /nfs/dbraw/zinc/17/97/45/649179745.db2.gz YBNOZGUFWCWDSZ-UHFFFAOYSA-N 0 0 307.309 2.200 10 30 DEEERN N#CC1(COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000183909183 649196416 /nfs/dbraw/zinc/19/64/16/649196416.db2.gz AHKYWNAHBWDZOR-ZZXKWVIFSA-N 0 0 316.313 2.472 10 30 DEEERN COc1ccccc1CCC(=O)OCC1(C#N)CCOCC1 ZINC000183985268 649218419 /nfs/dbraw/zinc/21/84/19/649218419.db2.gz SZGSWJMMRLXYAO-UHFFFAOYSA-N 0 0 303.358 2.491 10 30 DEEERN C#CCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000733247627 649463711 /nfs/dbraw/zinc/46/37/11/649463711.db2.gz WCLXMLQGFUJJSV-UHFFFAOYSA-N 0 0 301.327 2.471 10 30 DEEERN C#CCCNC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000733248171 649463858 /nfs/dbraw/zinc/46/38/58/649463858.db2.gz MXUFMHNLBGNKLS-UHFFFAOYSA-N 0 0 319.411 2.139 10 30 DEEERN CO[C@@H](CNC(=O)NCc1ccc(C#N)cc1F)C(F)(F)F ZINC000733356896 649553634 /nfs/dbraw/zinc/55/36/34/649553634.db2.gz UZPKXGSRUAGUBC-NSHDSACASA-N 0 0 319.258 2.074 10 30 DEEERN O=C(OCC#Cc1ccccc1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000105761367 651206241 /nfs/dbraw/zinc/20/62/41/651206241.db2.gz ZMMPSJIFEWUQQV-QGZVFWFLSA-N 0 0 311.381 2.230 10 30 DEEERN COc1cccc(CS(=O)(=O)Oc2ccccc2C#N)c1 ZINC000109841184 652094193 /nfs/dbraw/zinc/09/41/93/652094193.db2.gz WWVDAWFSKDNZCM-UHFFFAOYSA-N 0 0 303.339 2.476 10 30 DEEERN C=CCc1cc(CN(C)CC(=O)NC(C)(C)C)c(O)c(OC)c1 ZINC000111891101 652639717 /nfs/dbraw/zinc/63/97/17/652639717.db2.gz PRZLDVCRLNMYMM-UHFFFAOYSA-N 0 0 320.433 2.476 10 30 DEEERN Cc1cc(C)n([C@H](C)C(=O)NCc2ccc(OCC#N)cc2)n1 ZINC000075631068 683937407 /nfs/dbraw/zinc/93/74/07/683937407.db2.gz CQZGBZWYFBELHI-CQSZACIVSA-N 0 0 312.373 2.280 10 30 DEEERN CN(CC(=O)OCC#Cc1ccccc1)C(=O)c1cccs1 ZINC000079341146 683972078 /nfs/dbraw/zinc/97/20/78/683972078.db2.gz AEROSSUOSYKQIX-UHFFFAOYSA-N 0 0 313.378 2.415 10 30 DEEERN C=CCC[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000089319085 684021911 /nfs/dbraw/zinc/02/19/11/684021911.db2.gz KYJIRRVOCUGGBJ-IGCXYCKISA-N 0 0 322.405 2.385 10 30 DEEERN C#Cc1cccc(NC(=O)c2cnc3c(C)cccn3c2=O)c1 ZINC000090997834 684033723 /nfs/dbraw/zinc/03/37/23/684033723.db2.gz JKZKJOBWHWOCLS-UHFFFAOYSA-N 0 0 303.321 2.237 10 30 DEEERN C#CCCCOC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000116593913 684065557 /nfs/dbraw/zinc/06/55/57/684065557.db2.gz PGMUVBDLDNKBJR-WBVHZDCISA-N 0 0 315.369 2.171 10 30 DEEERN COc1cccc(/C=N/[C@@H]2CCCN(c3cnn(C)c3)C2)c1O ZINC000125202572 684143590 /nfs/dbraw/zinc/14/35/90/684143590.db2.gz YITXTZAVGLPFCA-UHPUNMKFSA-N 0 0 314.389 2.222 10 30 DEEERN C#CCSCCNC(=O)COc1ccc(C(=O)CC)cc1 ZINC000130085872 684185163 /nfs/dbraw/zinc/18/51/63/684185163.db2.gz FRGAIULBLSEZCJ-UHFFFAOYSA-N 0 0 305.399 2.141 10 30 DEEERN COc1cccc([C@@H](O)CNC(=O)c2ccc(C#N)cc2C)c1 ZINC000132104010 684205484 /nfs/dbraw/zinc/20/54/84/684205484.db2.gz BIRDIKSKBDXFPZ-KRWDZBQOSA-N 0 0 310.353 2.339 10 30 DEEERN C=CCOc1cccc(NC(=O)[C@H]2CSCN2C(C)=O)c1 ZINC000132843566 684213892 /nfs/dbraw/zinc/21/38/92/684213892.db2.gz CRNVQMRHSANHHO-CQSZACIVSA-N 0 0 306.387 2.111 10 30 DEEERN C#C[C@@H](OC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1)C1CC1 ZINC000134082258 684225268 /nfs/dbraw/zinc/22/52/68/684225268.db2.gz KKKCURBWPQZDFM-IAGOWNOFSA-N 0 0 315.369 2.218 10 30 DEEERN CC#CCNC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000135508722 684236145 /nfs/dbraw/zinc/23/61/45/684236145.db2.gz RVHJMJBQEKZCKM-CHWSQXEVSA-N 0 0 309.410 2.002 10 30 DEEERN C#CCSCCNC(=O)N(CCc1nccs1)C(C)C ZINC000158901079 684306376 /nfs/dbraw/zinc/30/63/76/684306376.db2.gz ADNYNRSLRIBWNI-UHFFFAOYSA-N 0 0 311.476 2.472 10 30 DEEERN C[C@H](OC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)C(C)(C)C#N ZINC000178811439 684333837 /nfs/dbraw/zinc/33/38/37/684333837.db2.gz PJJNJIVTITUDQY-KBPBESRZSA-N 0 0 321.421 2.396 10 30 DEEERN N#CCOc1cc(F)ccc1NC(=O)NCC1(CCO)CC1 ZINC000189146674 684373495 /nfs/dbraw/zinc/37/34/95/684373495.db2.gz LJGPZKZXVINMSY-UHFFFAOYSA-N 0 0 307.325 2.012 10 30 DEEERN C=CCSCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000194507713 685068574 /nfs/dbraw/zinc/06/85/74/685068574.db2.gz YXNSYXWQNDAKHJ-CQSZACIVSA-N 0 0 318.442 2.383 10 30 DEEERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNc1cccnc1C#N ZINC000886079846 691998765 /nfs/dbraw/zinc/99/87/65/691998765.db2.gz KDQZJBRXTPQJCR-DYVFJYSZSA-N 0 0 311.389 2.493 10 30 DEEERN O=C(CON=C1CCCOCC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000588600239 777145613 /nfs/dbraw/zinc/14/56/13/777145613.db2.gz XQGFJVDKAZJSFH-LLVKDONJSA-N 0 0 322.327 2.360 10 30 DEEERN CC[C@H](NS(=O)(=O)c1ccc(C#N)s1)[C@H]1CCCOC1 ZINC000723841792 777182748 /nfs/dbraw/zinc/18/27/48/777182748.db2.gz WQURZUNRZVCBTQ-JQWIXIFHSA-N 0 0 314.432 2.103 10 30 DEEERN C#Cc1ccc(C(=O)N[C@H](c2nnc3ccccn32)C(C)C)cn1 ZINC000728821276 778511533 /nfs/dbraw/zinc/51/15/33/778511533.db2.gz LQFZDRRHZFYBEG-INIZCTEOSA-N 0 0 319.368 2.233 10 30 DEEERN COC[C@@H](Cn1cc(Br)cc(C#N)c1=O)C(C)C ZINC000721755610 778867100 /nfs/dbraw/zinc/86/71/00/778867100.db2.gz WJGFAIQWLXCDEO-LLVKDONJSA-N 0 0 313.195 2.401 10 30 DEEERN COc1ccc(CNC(=O)c2cc(C(C)C)nn2C)cc1C#N ZINC000746924779 786546930 /nfs/dbraw/zinc/54/69/30/786546930.db2.gz CSUZKPHCRYKIHP-UHFFFAOYSA-N 0 0 312.373 2.354 10 30 DEEERN COc1ccc(CNC(=O)c2c3c(nn2C)CCCC3)cc1C#N ZINC000746927379 786549782 /nfs/dbraw/zinc/54/97/82/786549782.db2.gz UZBLKQTYYUBJLE-UHFFFAOYSA-N 0 0 324.384 2.109 10 30 DEEERN C=CCNC(=O)N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000585932880 791862558 /nfs/dbraw/zinc/86/25/58/791862558.db2.gz LHYGOYANVQGNAN-AWEZNQCLSA-N 0 0 321.808 2.430 10 30 DEEERN O=C(CC(F)(F)C(F)(F)F)N1CC[C@](O)(C(F)(F)F)C1 ZINC000713182751 792214298 /nfs/dbraw/zinc/21/42/98/792214298.db2.gz VCUUWYDLYGIDGC-ZCFIWIBFSA-N 0 0 315.160 2.100 10 30 DEEERN C#CC[C@@H](COC)NC(=O)c1cc(Br)oc1C ZINC000716801947 793008633 /nfs/dbraw/zinc/00/86/33/793008633.db2.gz WTWPCDOLWIORAC-VIFPVBQESA-N 0 0 300.152 2.119 10 30 DEEERN C#CC[C@@H](COC)NC(=O)c1sccc1Br ZINC000716889040 793020531 /nfs/dbraw/zinc/02/05/31/793020531.db2.gz RGBCCUNBTIWIRJ-QMMMGPOBSA-N 0 0 302.193 2.279 10 30 DEEERN C#CCN(C(=O)CSCc1cscn1)c1nccs1 ZINC000151930795 795561810 /nfs/dbraw/zinc/56/18/10/795561810.db2.gz JTAPETJTDONCPV-UHFFFAOYSA-N 0 0 309.441 2.499 10 30 DEEERN N#Cc1ccc(OCC(=O)NCc2cnc(Cl)s2)cc1 ZINC000718872125 1088676076 /nfs/dbraw/zinc/67/60/76/1088676076.db2.gz OGJUTWDUTBCMEH-UHFFFAOYSA-N 0 0 307.762 2.363 10 30 DEEERN CSCC[C@@H](C)NS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000719971979 1089423093 /nfs/dbraw/zinc/42/30/93/1089423093.db2.gz HOGUMJYLEOXXMW-SECBINFHSA-N 0 0 302.396 2.117 10 30 DEEERN Cc1ccc([C@@H](C#N)NC(=O)CNC(=O)c2ccccc2)cc1 ZINC000074561696 184998342 /nfs/dbraw/zinc/99/83/42/184998342.db2.gz DTBQSZHTNCBYMC-MRXNPFEDSA-N 0 0 307.353 2.106 10 30 DEEERN C#CCC(CC#C)C(=O)NCCc1nc2c(s1)CCCC2 ZINC000278356056 214111192 /nfs/dbraw/zinc/11/11/92/214111192.db2.gz LFCMKNPRILQDOX-UHFFFAOYSA-N 0 0 300.427 2.343 10 30 DEEERN COc1csc(C(=O)Nc2ccc(C#CCO)c(F)c2)c1 ZINC000162167818 197549695 /nfs/dbraw/zinc/54/96/95/197549695.db2.gz HZGVKJLLDBRTMS-UHFFFAOYSA-N 0 0 305.330 2.492 10 30 DEEERN C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000624837536 365566306 /nfs/dbraw/zinc/56/63/06/365566306.db2.gz RSDFSPBGQHENPW-YIYPIFLZSA-N 0 0 304.394 2.072 10 30 DEEERN C=CC[C@H]1CCCN(C(=O)C(=O)N[C@H](C)c2cscn2)C1 ZINC000612128946 361753223 /nfs/dbraw/zinc/75/32/23/361753223.db2.gz CQILTTKIDLKFHC-NEPJUHHUSA-N 0 0 307.419 2.135 10 30 DEEERN COc1ccc(CN2C(=O)N[C@@](C)(CC(C)C)C2=O)cc1C#N ZINC000162337201 197560390 /nfs/dbraw/zinc/56/03/90/197560390.db2.gz ZVWDBTNAPIDLJJ-KRWDZBQOSA-N 0 0 315.373 2.423 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000624970913 365603074 /nfs/dbraw/zinc/60/30/74/365603074.db2.gz DZIKFDCSIMFIIC-OKILXGFUSA-N 0 0 319.453 2.143 10 30 DEEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC000624990575 365608564 /nfs/dbraw/zinc/60/85/64/365608564.db2.gz GCPZYULJUPMCBK-OCCSQVGLSA-N 0 0 316.409 2.106 10 30 DEEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[C@H](C)[C@H](F)C1 ZINC000624990504 365608860 /nfs/dbraw/zinc/60/88/60/365608860.db2.gz DDQMGYBOPXGXQX-WCQYABFASA-N 0 0 304.373 2.429 10 30 DEEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC000624990576 365609122 /nfs/dbraw/zinc/60/91/22/365609122.db2.gz GCPZYULJUPMCBK-TZMCWYRMSA-N 0 0 316.409 2.106 10 30 DEEERN C=CCN(CC=C)C(=O)CSCCNC(=O)OC(C)(C)C ZINC000096755905 185386447 /nfs/dbraw/zinc/38/64/47/185386447.db2.gz FUZWSUHPLYPWTM-UHFFFAOYSA-N 0 0 314.451 2.445 10 30 DEEERN C=C(C)CN(C)S(=O)(=O)C[C@@H](OC)c1ccc(F)cc1 ZINC000625115854 365648749 /nfs/dbraw/zinc/64/87/49/365648749.db2.gz XSKZYECUSCUHHN-CQSZACIVSA-N 0 0 301.383 2.351 10 30 DEEERN CCOC(=O)[C@@H](C)CN(C(=O)c1cccc(C#N)c1)C1CC1 ZINC000096760483 185386645 /nfs/dbraw/zinc/38/66/45/185386645.db2.gz PFQKLKRYIAGKFU-LBPRGKRZSA-N 0 0 300.358 2.362 10 30 DEEERN N#Cc1cccc(S(=O)(=O)CCOc2ccc(Cl)nc2)c1 ZINC000163398170 197628606 /nfs/dbraw/zinc/62/86/06/197628606.db2.gz PEDWTAICEVNMMI-UHFFFAOYSA-N 0 0 322.773 2.459 10 30 DEEERN C=CCN(C(C)=O)[C@@H](C)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000096775552 185387166 /nfs/dbraw/zinc/38/71/66/185387166.db2.gz DWTLSGDNIIXEEZ-QWRGUYRKSA-N 0 0 316.357 2.012 10 30 DEEERN COC(=O)[C@H](C)CSCC(=O)NC1(C#N)CCCCCC1 ZINC000078826391 185116712 /nfs/dbraw/zinc/11/67/12/185116712.db2.gz RJCZXXMSCQEQKI-GFCCVEGCSA-N 0 0 312.435 2.261 10 30 DEEERN COc1ccc(C#CCO)cc1NC(=O)[C@@]1(C)CCCS1 ZINC000164885896 197665995 /nfs/dbraw/zinc/66/59/95/197665995.db2.gz UPJFYTDLNMGXDF-MRXNPFEDSA-N 0 0 305.399 2.263 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1cccc(Cn2cccn2)c1 ZINC000278768142 214387593 /nfs/dbraw/zinc/38/75/93/214387593.db2.gz GMXNZPGHRLRKBD-UHFFFAOYSA-N 0 0 305.381 2.210 10 30 DEEERN Cc1csc(CNC(=O)c2cc(C#CCO)ccc2C)n1 ZINC000087746142 185231302 /nfs/dbraw/zinc/23/13/02/185231302.db2.gz OMBXKWROJSRISD-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)c(N)c1 ZINC000087766402 185231547 /nfs/dbraw/zinc/23/15/47/185231547.db2.gz MMUVFUZTTYGNEG-JSGCOSHPSA-N 0 0 305.403 2.094 10 30 DEEERN CN1CCN([C@H](C#N)c2cc(Br)ccc2F)CC1 ZINC000088045006 185238045 /nfs/dbraw/zinc/23/80/45/185238045.db2.gz MSWZDBIBQDNWQG-CYBMUJFWSA-N 0 0 312.186 2.400 10 30 DEEERN CC[C@@H](C#N)S(=O)(=O)NCc1ccc(Br)s1 ZINC000088474323 185252271 /nfs/dbraw/zinc/25/22/71/185252271.db2.gz XEJLGJGTYPCVSX-QMMMGPOBSA-N 0 0 323.237 2.232 10 30 DEEERN CCc1nc2n(n1)CCC[C@H]2NCc1ccc(OC)c(C#N)c1 ZINC000088757296 185264532 /nfs/dbraw/zinc/26/45/32/185264532.db2.gz RGISARYYARKEDK-CQSZACIVSA-N 0 0 311.389 2.345 10 30 DEEERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCO[C@@H]1C ZINC000328930001 529634185 /nfs/dbraw/zinc/63/41/85/529634185.db2.gz HIAIWHUDDALAPF-IRCOFANPSA-N 0 0 300.424 2.068 10 30 DEEERN CCc1ccc(NC(=O)C(=O)N(CC)C[C@H](C)C#N)cc1F ZINC000189150643 529665708 /nfs/dbraw/zinc/66/57/08/529665708.db2.gz AVGRZYWSBFRAAR-LLVKDONJSA-N 0 0 305.353 2.335 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000181337677 199282749 /nfs/dbraw/zinc/28/27/49/199282749.db2.gz YWQWWUMQDMPJQE-HNNXBMFYSA-N 0 0 314.385 2.482 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1c(CC)nn(C)c1CC ZINC000625327141 365731411 /nfs/dbraw/zinc/73/14/11/365731411.db2.gz DCYBLGAMNSYIJG-UHFFFAOYSA-N 0 0 313.467 2.426 10 30 DEEERN CC(C)S(=O)(=O)NCC#CCOc1ccccc1Cl ZINC000090728964 185311744 /nfs/dbraw/zinc/31/17/44/185311744.db2.gz FIYSBEUTGVIIEB-UHFFFAOYSA-N 0 0 301.795 2.050 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](C)c1ncc(C)s1 ZINC000613496227 362129233 /nfs/dbraw/zinc/12/92/33/362129233.db2.gz WBADFTOJMBAUDJ-ZWNOBZJWSA-N 0 0 309.435 2.142 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc2ccc(F)cc2n1C ZINC000613557570 362146138 /nfs/dbraw/zinc/14/61/38/362146138.db2.gz JJRQEOOSYCRXPD-CYBMUJFWSA-N 0 0 318.352 2.122 10 30 DEEERN C=CCCCCNC(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000613595255 362157538 /nfs/dbraw/zinc/15/75/38/362157538.db2.gz JATZCQJOQZYWHO-VXGBXAGGSA-N 0 0 309.328 2.443 10 30 DEEERN CCc1nc2n(n1)C[C@H](Nc1cc(C(C)=O)ccc1C#N)CC2 ZINC000302112408 529751609 /nfs/dbraw/zinc/75/16/09/529751609.db2.gz QALZGBXSIUWHBH-CQSZACIVSA-N 0 0 309.373 2.342 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C1(C(F)(F)F)CCOCC1 ZINC000614372361 362363571 /nfs/dbraw/zinc/36/35/71/362363571.db2.gz IDSBNJNMBLJFSJ-VXGBXAGGSA-N 0 0 321.339 2.443 10 30 DEEERN C=CCN1c2ccccc2[C@@]2(NC(=O)c3ccc(F)cc3N2)C1=O ZINC000614432307 362380105 /nfs/dbraw/zinc/38/01/05/362380105.db2.gz RNGLOLBNAPCLKK-GOSISDBHSA-N 0 0 323.327 2.367 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC=C(c2ccncc2)C1 ZINC000614796421 362463671 /nfs/dbraw/zinc/46/36/71/362463671.db2.gz XGRMFSUAYKCRBN-KRWDZBQOSA-N 0 0 313.401 2.168 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1c2ccccc2O[C@@H]1C ZINC000614938938 362494621 /nfs/dbraw/zinc/49/46/21/362494621.db2.gz GUYJBRLPHJBBAC-DIOULYMOSA-N 0 0 302.374 2.096 10 30 DEEERN CN1CCCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1=O ZINC000191863634 530053489 /nfs/dbraw/zinc/05/34/89/530053489.db2.gz CWCYGHOLBMCIMY-UHFFFAOYSA-N 0 0 314.389 2.184 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@](F)(C#N)C1 ZINC000615583564 362645434 /nfs/dbraw/zinc/64/54/34/362645434.db2.gz UPGOYQSPKHFRJI-NVXWUHKLSA-N 0 0 315.348 2.426 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@](F)(C#N)C1 ZINC000615583563 362645863 /nfs/dbraw/zinc/64/58/63/362645863.db2.gz UPGOYQSPKHFRJI-DOTOQJQBSA-N 0 0 315.348 2.426 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@](C)(OC)c1ccccc1 ZINC000615833180 362711269 /nfs/dbraw/zinc/71/12/69/362711269.db2.gz XMKQAZVIDGFWIK-AEFFLSMTSA-N 0 0 318.417 2.135 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000625525720 365814834 /nfs/dbraw/zinc/81/48/34/365814834.db2.gz KMDOQTNDFWIGEV-SFHVURJKSA-N 0 0 322.449 2.124 10 30 DEEERN C=CC[C@@H]1CCN(Cc2csc(CS(C)(=O)=O)n2)C1 ZINC000625700525 365875078 /nfs/dbraw/zinc/87/50/78/365875078.db2.gz JUXCNPQNJCOVKX-LLVKDONJSA-N 0 0 300.449 2.086 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000616346293 362832700 /nfs/dbraw/zinc/83/27/00/362832700.db2.gz DOJXTRNYCIOAFS-NHYWBVRUSA-N 0 0 314.389 2.211 10 30 DEEERN Cc1nnc(NC(=O)c2cc(C)cc(C#CCCO)c2)s1 ZINC000123702879 185834398 /nfs/dbraw/zinc/83/43/98/185834398.db2.gz DPTSFWJETKODLX-UHFFFAOYSA-N 0 0 301.371 2.141 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@H](n1cccn1)C(F)(F)F ZINC000616409417 362849070 /nfs/dbraw/zinc/84/90/70/362849070.db2.gz OYPHLPCPTSPYHX-SRVKXCTJSA-N 0 0 317.311 2.084 10 30 DEEERN Cc1ccc(N2CCC[C@H](Nc3nnc(C)c(C)c3C#N)C2)nn1 ZINC000069874108 190831631 /nfs/dbraw/zinc/83/16/31/190831631.db2.gz VSJIKAQNFPCXKJ-AWEZNQCLSA-N 0 0 323.404 2.144 10 30 DEEERN N#Cc1ccc([C@H]2CCN(S(N)(=O)=O)c3ccccc32)cc1 ZINC000616588825 362894162 /nfs/dbraw/zinc/89/41/62/362894162.db2.gz NPSJLULZCMWROW-CQSZACIVSA-N 0 0 313.382 2.104 10 30 DEEERN CS(=O)(=O)N1c2ccccc2NC[C@@H]1c1ccccc1C#N ZINC000616684277 362908705 /nfs/dbraw/zinc/90/87/05/362908705.db2.gz JYZGENNONNTEGF-MRXNPFEDSA-N 0 0 313.382 2.491 10 30 DEEERN COC(=O)c1ccc(CNC(=O)c2cc(C#N)cs2)cc1 ZINC000084058472 192398066 /nfs/dbraw/zinc/39/80/66/192398066.db2.gz JZRHFFUUNQHSCV-UHFFFAOYSA-N 0 0 300.339 2.336 10 30 DEEERN CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(C#N)cc1 ZINC000287065866 219294040 /nfs/dbraw/zinc/29/40/40/219294040.db2.gz WBKBRKHUEUOIDB-YESZJQIVSA-N 0 0 314.385 2.214 10 30 DEEERN Cc1ccc(C(=O)N2CCS[C@@H](C)[C@@H]2C)c(C#CCO)c1 ZINC000133635218 186001764 /nfs/dbraw/zinc/00/17/64/186001764.db2.gz LFTULQNXZPRPPF-KBPBESRZSA-N 0 0 303.427 2.305 10 30 DEEERN C[C@H]1SCCN(C(=O)c2cc(F)ccc2C#CCO)[C@@H]1C ZINC000133642824 186002113 /nfs/dbraw/zinc/00/21/13/186002113.db2.gz TZCGBJQIEFSQQJ-VXGBXAGGSA-N 0 0 307.390 2.136 10 30 DEEERN Cc1cc(C(=O)N2CCS[C@H](C)[C@H]2C)sc1C#CCO ZINC000133643669 186002873 /nfs/dbraw/zinc/00/28/73/186002873.db2.gz JCGUQADFUWHHBL-VXGBXAGGSA-N 0 0 309.456 2.366 10 30 DEEERN Cc1cc(C(=O)N2CCS[C@@H](C)[C@@H]2C)ccc1C#CCO ZINC000133659748 186003918 /nfs/dbraw/zinc/00/39/18/186003918.db2.gz CLICCPRRSFLNLM-KBPBESRZSA-N 0 0 303.427 2.305 10 30 DEEERN Cc1ccc(C#CCO)cc1C(=O)N1CCS[C@@H](C)[C@H]1C ZINC000133658502 186004100 /nfs/dbraw/zinc/00/41/00/186004100.db2.gz RUCNVPNDPPIVQT-KGLIPLIRSA-N 0 0 303.427 2.305 10 30 DEEERN C[C@H]1SCCN(C(=O)c2csc(C#CCCO)c2)[C@H]1C ZINC000133650394 186003616 /nfs/dbraw/zinc/00/36/16/186003616.db2.gz VTTHDPSFJQMPBK-NWDGAFQWSA-N 0 0 309.456 2.448 10 30 DEEERN CCOc1ccc(N)c([S@](=O)Cc2ccnc(C#N)c2)c1 ZINC000149643951 186051933 /nfs/dbraw/zinc/05/19/33/186051933.db2.gz ACBMTCBYEGVBIS-NRFANRHFSA-N 0 0 301.371 2.242 10 30 DEEERN N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CNC(=O)C3)c2)cc1 ZINC000171513959 186170987 /nfs/dbraw/zinc/17/09/87/186170987.db2.gz GHEHVRWYPVSFRT-ZDUSSCGKSA-N 0 0 321.336 2.425 10 30 DEEERN CCC1(CC)CN(C(=O)c2sccc2C#N)CC[S@]1=O ZINC000183847180 186224261 /nfs/dbraw/zinc/22/42/61/186224261.db2.gz HVJLVJCWSOPQNK-HXUWFJFHSA-N 0 0 310.444 2.383 10 30 DEEERN N#CC1(NC(=O)CCOc2ccccc2[N+](=O)[O-])CCCC1 ZINC000171564848 197942441 /nfs/dbraw/zinc/94/24/41/197942441.db2.gz CCVCQAZZSRXLPZ-UHFFFAOYSA-N 0 0 303.318 2.316 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cn1c(C)cc(O)cc1=O ZINC000617040436 363006730 /nfs/dbraw/zinc/00/67/30/363006730.db2.gz UHSPHPQSUUSOJE-DZGCQCFKSA-N 0 0 304.390 2.113 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(OCC(N)=O)c1 ZINC000617037568 363006793 /nfs/dbraw/zinc/00/67/93/363006793.db2.gz OOSGJPZVQCBBEC-CJNGLKHVSA-N 0 0 316.401 2.415 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)c1c(C)nn(C)c1C ZINC000617038587 363006995 /nfs/dbraw/zinc/00/69/95/363006995.db2.gz ZCZTXKIKPAGYCJ-UONOGXRCSA-N 0 0 303.406 2.471 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000617042069 363007751 /nfs/dbraw/zinc/00/77/51/363007751.db2.gz MYUARZNIWTVBDC-AAEUAGOBSA-N 0 0 315.373 2.277 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CCC(=O)N1CCC(O)CC1 ZINC000617041795 363008122 /nfs/dbraw/zinc/00/81/22/363008122.db2.gz IYOFQEZTBKXZHS-GDBMZVCRSA-N 0 0 322.449 2.001 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(C2CC2)C1=O ZINC000617044784 363008171 /nfs/dbraw/zinc/00/81/71/363008171.db2.gz RWYJGKIPYMNYEN-UKRRQHHQSA-N 0 0 305.422 2.138 10 30 DEEERN C=C(C)[C@@H](CC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)OCC ZINC000617497228 363156569 /nfs/dbraw/zinc/15/65/69/363156569.db2.gz PDRREIWMFLHUKY-GDBMZVCRSA-N 0 0 316.401 2.062 10 30 DEEERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2CCC[C@H]2C)C1 ZINC000328690692 539910027 /nfs/dbraw/zinc/91/00/27/539910027.db2.gz DNCHMVWAXVNZSU-GWNIPJSYSA-N 0 0 308.382 2.242 10 30 DEEERN Cc1cnc([C@H](C)NC(=O)N2CCC[C@H]2c2noc(C)n2)o1 ZINC000329284252 539916835 /nfs/dbraw/zinc/91/68/35/539916835.db2.gz NSWPONGWSACTDN-ONGXEEELSA-N 0 0 305.338 2.487 10 30 DEEERN O=C(NCCn1cnc2ccccc21)N1CC2(C1)CCCOC2 ZINC000329437327 539920863 /nfs/dbraw/zinc/92/08/63/539920863.db2.gz MCSPSPNMSJJOJB-UHFFFAOYSA-N 0 0 314.389 2.063 10 30 DEEERN C=CCCNC(=O)CCNS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000617612805 363202587 /nfs/dbraw/zinc/20/25/87/363202587.db2.gz PYBAWWOGBCNDGI-UHFFFAOYSA-N 0 0 324.446 2.171 10 30 DEEERN C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(N)cc2C#N)C[C@@H]1C ZINC000085040030 192479239 /nfs/dbraw/zinc/47/92/39/192479239.db2.gz SISGOHRATBOMIY-SUNKGSAMSA-N 0 0 307.419 2.243 10 30 DEEERN C[C@@H]1CCN2C(=O)N(Cc3ccc(C#N)cc3F)C(=O)[C@H]2C1 ZINC000617675167 363220485 /nfs/dbraw/zinc/22/04/85/363220485.db2.gz RKPPTFGCAOZULS-QMTHXVAHSA-N 0 0 301.321 2.260 10 30 DEEERN N#Cc1ccc(CN2C(=O)[C@H]3CCCCCN3C2=O)c(F)c1 ZINC000617675061 363220861 /nfs/dbraw/zinc/22/08/61/363220861.db2.gz MRRKAZWEFJAWEM-CQSZACIVSA-N 0 0 301.321 2.404 10 30 DEEERN C=CCCOCCNC(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000626273654 366131546 /nfs/dbraw/zinc/13/15/46/366131546.db2.gz BQENWAWDONXZAQ-UHFFFAOYSA-N 0 0 302.296 2.352 10 30 DEEERN CNC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 ZINC000021383235 354049651 /nfs/dbraw/zinc/04/96/51/354049651.db2.gz KKGWLPZUGYJTRI-GFCCVEGCSA-N 0 0 323.352 2.324 10 30 DEEERN C=C(C)COc1cccc(NC(=O)N[C@H]2C[C@H](C(N)=O)C2)c1 ZINC000626355854 366159975 /nfs/dbraw/zinc/15/99/75/366159975.db2.gz FTGRMFOIFVXIBF-AULYBMBSSA-N 0 0 303.362 2.027 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCCC[C@@H]1CCO ZINC000355844099 540085035 /nfs/dbraw/zinc/08/50/35/540085035.db2.gz MBYNKDUQLDYQDV-OAGGEKHMSA-N 0 0 310.438 2.304 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)C1CCCCC1 ZINC000075999506 355118370 /nfs/dbraw/zinc/11/83/70/355118370.db2.gz XDPQNEBRCCJPJA-CZUORRHYSA-N 0 0 316.401 2.383 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H](C)CC)cc2C1=O ZINC000075506976 355089591 /nfs/dbraw/zinc/08/95/91/355089591.db2.gz COEIGPLTSHPVHO-NSHDSACASA-N 0 0 300.358 2.339 10 30 DEEERN C=CCCCN(C)C(=O)Cn1cnc2sc(C)c(C)c2c1=O ZINC000076486075 355151789 /nfs/dbraw/zinc/15/17/89/355151789.db2.gz MZDCQHCNQPLWDF-UHFFFAOYSA-N 0 0 319.430 2.499 10 30 DEEERN Cc1sc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)c(C#N)c1C ZINC000078316501 191847045 /nfs/dbraw/zinc/84/70/45/191847045.db2.gz IWWVNJNMBWJHSQ-UWVGGRQHSA-N 0 0 307.419 2.284 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000180241602 356045354 /nfs/dbraw/zinc/04/53/54/356045354.db2.gz YFHAPJHPUGZVFZ-HNNXBMFYSA-N 0 0 321.808 2.393 10 30 DEEERN C=CCCC[C@H](C)NC(=O)NCCNC(=O)c1ccccc1 ZINC000180444290 356050986 /nfs/dbraw/zinc/05/09/86/356050986.db2.gz FKMPCXXNMUQGGO-AWEZNQCLSA-N 0 0 303.406 2.460 10 30 DEEERN CCN(CC)C(=O)[C@H]1CCCN1Cc1ccc(OC)c(C#N)c1 ZINC000179203471 356016780 /nfs/dbraw/zinc/01/67/80/356016780.db2.gz VEIAHYJADVYOKU-MRXNPFEDSA-N 0 0 315.417 2.400 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000181101305 356072090 /nfs/dbraw/zinc/07/20/90/356072090.db2.gz KAFIJHNGTWBXFS-GJZGRUSLSA-N 0 0 306.410 2.038 10 30 DEEERN CC(C)N(CC#N)S(=O)(=O)c1sccc1Br ZINC000080214527 192012016 /nfs/dbraw/zinc/01/20/16/192012016.db2.gz CMGXBBPZSPOJRQ-UHFFFAOYSA-N 0 0 323.237 2.433 10 30 DEEERN COC(=O)Cc1ccccc1NC(=O)c1ccc(C#N)c(C)n1 ZINC000080059068 191998155 /nfs/dbraw/zinc/99/81/55/191998155.db2.gz BWYPDLOFXSKTTA-UHFFFAOYSA-N 0 0 309.325 2.230 10 30 DEEERN CC[C@H]1CN(c2ccccc2)CCN1C(=O)NC[C@@H](C)C#N ZINC000184582494 356194190 /nfs/dbraw/zinc/19/41/90/356194190.db2.gz AAMQYTZRZJBGGF-GJZGRUSLSA-N 0 0 300.406 2.456 10 30 DEEERN CCOC(=O)[C@H](C)[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000184821698 356197574 /nfs/dbraw/zinc/19/75/74/356197574.db2.gz KWDOHOSLFQDSPJ-JHJVBQTASA-N 0 0 318.373 2.029 10 30 DEEERN N#Cc1cc(I)cnc1OC(F)(F)F ZINC000238548704 356303974 /nfs/dbraw/zinc/30/39/74/356303974.db2.gz BUTKDKVSFKIXIT-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN Cc1nc(-c2cccc(NC(=O)c3cc(C#N)cn3C)c2)n[nH]1 ZINC000081034319 192216759 /nfs/dbraw/zinc/21/67/59/192216759.db2.gz PVNHGBHOFIAUAV-UHFFFAOYSA-N 0 0 306.329 2.243 10 30 DEEERN C=CCN(CCOC)C(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000626638141 366253151 /nfs/dbraw/zinc/25/31/51/366253151.db2.gz DYGQTFPNILHELU-UHFFFAOYSA-N 0 0 302.296 2.304 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2ccc(C(=O)NC)cc2OC)C1 ZINC000626671427 366260672 /nfs/dbraw/zinc/26/06/72/366260672.db2.gz HETGCMOIDPEBMI-LBPRGKRZSA-N 0 0 317.389 2.485 10 30 DEEERN C=CCNC(=O)Cc1noc(-c2ccc3cc(OC)ccc3n2)n1 ZINC000350697384 356559776 /nfs/dbraw/zinc/55/97/76/356559776.db2.gz YVKLSIUBSIKZFB-UHFFFAOYSA-N 0 0 324.340 2.138 10 30 DEEERN C=CCOCCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000618514415 363512724 /nfs/dbraw/zinc/51/27/24/363512724.db2.gz JFOOUZIMJKHBIS-LLVKDONJSA-N 0 0 320.414 2.442 10 30 DEEERN C=CCOCCCNC(=O)c1c(F)cccc1-n1cccn1 ZINC000618514997 363512783 /nfs/dbraw/zinc/51/27/83/363512783.db2.gz DFAKNVPWONRPAS-UHFFFAOYSA-N 0 0 303.337 2.334 10 30 DEEERN C=CCOCCCNC(=O)c1cc(Br)cn1C ZINC000618517818 363513925 /nfs/dbraw/zinc/51/39/25/363513925.db2.gz RUTIZYOZLSCEJA-UHFFFAOYSA-N 0 0 301.184 2.110 10 30 DEEERN C=CCOCCCNC(=O)C1=Cc2cc(OC)ccc2OC1 ZINC000618525350 363516149 /nfs/dbraw/zinc/51/61/49/363516149.db2.gz CGXXMMFTXPDXTH-UHFFFAOYSA-N 0 0 303.358 2.180 10 30 DEEERN C=CCOCCCNC(=O)[C@@H](C)n1ccc2ccccc2c1=O ZINC000618524975 363516200 /nfs/dbraw/zinc/51/62/00/363516200.db2.gz YACSBVRHVBNZEG-CQSZACIVSA-N 0 0 314.385 2.271 10 30 DEEERN C=CCC1(C(=O)NCc2c(C3CC3)cnn2C)CCOCC1 ZINC000618549708 363523342 /nfs/dbraw/zinc/52/33/42/363523342.db2.gz QXXPAGFLQQDVQE-UHFFFAOYSA-N 0 0 303.406 2.287 10 30 DEEERN Cc1nn(CC(=O)Nc2cc(Cl)ccc2C#N)c(C)c1N ZINC000086111788 192548822 /nfs/dbraw/zinc/54/88/22/192548822.db2.gz IFEHARANLZZRBC-UHFFFAOYSA-N 0 0 303.753 2.246 10 30 DEEERN C=C[C@@](C)(O)C(=O)NCc1sc(C)cc1Br ZINC000618646187 363557400 /nfs/dbraw/zinc/55/74/00/363557400.db2.gz WIIOFQVMILPQEY-LLVKDONJSA-N 0 0 304.209 2.372 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCOCC(=O)OCC ZINC000595646330 358511645 /nfs/dbraw/zinc/51/16/45/358511645.db2.gz LNNADBVCLDDRNH-KBPBESRZSA-N 0 0 312.410 2.000 10 30 DEEERN C=C[C@](C)(CC)C(=O)N[C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000578328554 356799909 /nfs/dbraw/zinc/79/99/09/356799909.db2.gz DPIGZVVHQOEZRW-GDBMZVCRSA-N 0 0 305.422 2.342 10 30 DEEERN N#Cc1cnc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cn1 ZINC000106463652 283231203 /nfs/dbraw/zinc/23/12/03/283231203.db2.gz OPDLDUHKFYUYAF-CYBMUJFWSA-N 0 0 323.404 2.050 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000579252123 356947573 /nfs/dbraw/zinc/94/75/73/356947573.db2.gz UKRICMDMRDSNIV-CQSZACIVSA-N 0 0 318.421 2.326 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cncc(C(F)(F)F)c1 ZINC000579824547 357036170 /nfs/dbraw/zinc/03/61/70/357036170.db2.gz MJDAKQICWQMMCQ-CABZTGNLSA-N 0 0 300.280 2.421 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@H]1COc2cc(OC)ccc21 ZINC000579828264 357038329 /nfs/dbraw/zinc/03/83/29/357038329.db2.gz MDTYJHKAEJMCNQ-XEZPLFJOSA-N 0 0 317.385 2.269 10 30 DEEERN C=CCc1cc(CNC(=O)N2CCCO2)cc(OC)c1OC ZINC000580866759 357091626 /nfs/dbraw/zinc/09/16/26/357091626.db2.gz NFQRPPVAELAECH-UHFFFAOYSA-N 0 0 306.362 2.279 10 30 DEEERN N#Cc1ccc(CNS(=O)(=O)CCC(F)(F)F)c(F)c1 ZINC000585736832 357349358 /nfs/dbraw/zinc/34/93/58/357349358.db2.gz ZUZJATLLUXKUBQ-UHFFFAOYSA-N 0 0 310.272 2.069 10 30 DEEERN Cc1c(Cl)cnc(N2CCC[C@H](CC(N)=O)CC2)c1C#N ZINC000585783695 357355578 /nfs/dbraw/zinc/35/55/78/357355578.db2.gz CETPJAJFHGCMOM-NSHDSACASA-N 0 0 306.797 2.397 10 30 DEEERN COc1cc(C#N)ccc1OCc1nnc([C@@H]2CCCOC2)o1 ZINC000587750131 357382827 /nfs/dbraw/zinc/38/28/27/357382827.db2.gz XUSXIOQCNNGXNH-GFCCVEGCSA-N 0 0 315.329 2.423 10 30 DEEERN C=CCNC(=O)NC(=O)CN1CC(C)(C)Cc2ccccc21 ZINC000590006651 357512013 /nfs/dbraw/zinc/51/20/13/357512013.db2.gz LPEUPBNPGQWRTA-UHFFFAOYSA-N 0 0 301.390 2.087 10 30 DEEERN C=C[C@H](N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)C(=O)OC ZINC000589267288 357460870 /nfs/dbraw/zinc/46/08/70/357460870.db2.gz LGSXCWNVDPMFIZ-KKUMJFAQSA-N 0 0 310.344 2.027 10 30 DEEERN N#Cc1ccc(C2(C(=O)N3CCC(F)(F)[C@H](CO)C3)CC2)cc1 ZINC000589724953 357493185 /nfs/dbraw/zinc/49/31/85/357493185.db2.gz IRGUNSKRTMVVMR-AWEZNQCLSA-N 0 0 320.339 2.066 10 30 DEEERN Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H]1c1ccc(N(C)C)nn1 ZINC000591657584 357749007 /nfs/dbraw/zinc/74/90/07/357749007.db2.gz FOOWCNIPAXOYCF-OAHLLOKOSA-N 0 0 324.388 2.028 10 30 DEEERN C=CCCOCC(=O)N[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000592670398 357923226 /nfs/dbraw/zinc/92/32/26/357923226.db2.gz XCEXIWNYLWKRFX-CYBMUJFWSA-N 0 0 307.390 2.344 10 30 DEEERN CC#CCCCC(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000592729211 357931427 /nfs/dbraw/zinc/93/14/27/357931427.db2.gz ORQGAKAUEUDGHM-OAHLLOKOSA-N 0 0 319.405 2.113 10 30 DEEERN C=CCOc1ccc(CC(=O)NC[C@@H](CC)C(=O)OC)cc1 ZINC000592860456 357962860 /nfs/dbraw/zinc/96/28/60/357962860.db2.gz AUNLRHZAVIUMSM-CQSZACIVSA-N 0 0 305.374 2.109 10 30 DEEERN C=CCN(CC=C)C(=O)CN1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000593045855 357994547 /nfs/dbraw/zinc/99/45/47/357994547.db2.gz BUJWBUOILCCYGM-HUUCEWRRSA-N 0 0 322.449 2.382 10 30 DEEERN C#CCC(C)(C)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000185034764 199799604 /nfs/dbraw/zinc/79/96/04/199799604.db2.gz GQFHIKLJVPZSSC-UHFFFAOYSA-N 0 0 312.413 2.457 10 30 DEEERN CC(C)CSc1nnc(NN=Cc2ccc(O)cc2O)[nH]1 ZINC000005908138 181295279 /nfs/dbraw/zinc/29/52/79/181295279.db2.gz NBROQRHRDGMSCP-MKMNVTDBSA-N 0 0 307.379 2.410 10 30 DEEERN C=CCCn1cc(C[S@](=O)Cc2nc(C)c(C)s2)nn1 ZINC000593936701 358174712 /nfs/dbraw/zinc/17/47/12/358174712.db2.gz YLFQBPQJXWYOLW-FQEVSTJZSA-N 0 0 310.448 2.376 10 30 DEEERN CC(=O)CSCC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594144287 358213583 /nfs/dbraw/zinc/21/35/83/358213583.db2.gz ONFIPNTVXWGYST-UHFFFAOYSA-N 0 0 302.399 2.376 10 30 DEEERN C=CCCC1(CNS(=O)(=O)N(C)C[C@H](C)C#N)CCCC1 ZINC000594798577 358338887 /nfs/dbraw/zinc/33/88/87/358338887.db2.gz GQNQSQBHICNIBF-CQSZACIVSA-N 0 0 313.467 2.439 10 30 DEEERN C=CCCn1cc(COc2c(C)c(C)ncc2[N+](=O)[O-])nn1 ZINC000594904874 358355624 /nfs/dbraw/zinc/35/56/24/358355624.db2.gz IPMKKFTYALZHFE-UHFFFAOYSA-N 0 0 303.322 2.353 10 30 DEEERN CC(=O)N(c1nc(CN2CC[C@](C)(C#N)C2)cs1)C1CC1 ZINC000595838421 358560439 /nfs/dbraw/zinc/56/04/39/358560439.db2.gz BSXVXXMZYBIZMV-OAHLLOKOSA-N 0 0 304.419 2.394 10 30 DEEERN C=CCCn1cc(CN[C@@]2(C(=O)OC)CC[C@H](C)CC2)nn1 ZINC000595705169 358529210 /nfs/dbraw/zinc/52/92/10/358529210.db2.gz QFKLDXKVIWRDCY-SAZUREKKSA-N 0 0 306.410 2.066 10 30 DEEERN C=CCCSCCNC(=O)N1CCO[C@@]2(CCSC2)C1 ZINC000595720359 358532563 /nfs/dbraw/zinc/53/25/63/358532563.db2.gz JSCRRBOMFIZVCF-AWEZNQCLSA-N 0 0 316.492 2.213 10 30 DEEERN C=CCOCCCNC(=O)Nc1ccc(C(=O)OC)c(F)c1 ZINC000596793963 358763157 /nfs/dbraw/zinc/76/31/57/358763157.db2.gz MRZITKPRRORXMU-UHFFFAOYSA-N 0 0 310.325 2.327 10 30 DEEERN C=CCSCCNC(=O)C(=O)N1CCC(C2CCC2)CC1 ZINC000597217954 358858200 /nfs/dbraw/zinc/85/82/00/358858200.db2.gz KFMFQSLSPYJVKV-UHFFFAOYSA-N 0 0 310.463 2.061 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000597273439 358875080 /nfs/dbraw/zinc/87/50/80/358875080.db2.gz GRHLLASAUVWSIR-CQSZACIVSA-N 0 0 305.422 2.438 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCCSCC ZINC000597310928 358886009 /nfs/dbraw/zinc/88/60/09/358886009.db2.gz CJYWAOOBYDPYTQ-ZIAGYGMSSA-N 0 0 312.479 2.497 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C(C)=O)C(=O)OCC ZINC000597863366 359027865 /nfs/dbraw/zinc/02/78/65/359027865.db2.gz FDRZXEAUKWNLDX-QLFBSQMISA-N 0 0 309.406 2.396 10 30 DEEERN C=CC[C@H](CO)NC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000185743980 199883468 /nfs/dbraw/zinc/88/34/68/199883468.db2.gz XPFBCWXNUOKEJL-LLVKDONJSA-N 0 0 303.280 2.137 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(N2CCCCCC2)nc1 ZINC000185887599 199900283 /nfs/dbraw/zinc/90/02/83/199900283.db2.gz HKGXHFJDDUPQNW-OAHLLOKOSA-N 0 0 303.406 2.129 10 30 DEEERN C=C[C@@H](O)C(=O)N1CC[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000598202549 359121967 /nfs/dbraw/zinc/12/19/67/359121967.db2.gz JRZCVRFRYBBAKK-DZGCQCFKSA-N 0 0 317.385 2.396 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000185870848 199898279 /nfs/dbraw/zinc/89/82/79/199898279.db2.gz YEBZWAUMTAZFDP-JTQLQIEISA-N 0 0 318.251 2.280 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000185873680 199898466 /nfs/dbraw/zinc/89/84/66/199898466.db2.gz OGZOUHZALMUTBF-IRXDYDNUSA-N 0 0 320.408 2.233 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@@](C)(CCF)C(=O)OC)cc1 ZINC000598274271 359144696 /nfs/dbraw/zinc/14/46/96/359144696.db2.gz DKICEWRLIWFVPX-INIZCTEOSA-N 0 0 309.337 2.273 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CSCC(=O)N1CCCCC1 ZINC000598423130 359193980 /nfs/dbraw/zinc/19/39/80/359193980.db2.gz JHKTXUUGCDZOPJ-GASCZTMLSA-N 0 0 322.474 2.442 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2CCC[C@@H]([S@](C)=O)C2)CCOCC1 ZINC000598747949 359313407 /nfs/dbraw/zinc/31/34/07/359313407.db2.gz DDGAPQMCVOSERX-LKBUQDJMSA-N 0 0 313.463 2.165 10 30 DEEERN Cc1cc(S(=O)(=O)NCC[C@H]2CC2(F)F)ccc1C#N ZINC000598622774 359264011 /nfs/dbraw/zinc/26/40/11/359264011.db2.gz RHLHRTBBJURIGO-NSHDSACASA-N 0 0 300.330 2.190 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C#N)c1ccc(CC)cc1 ZINC000598838348 359340543 /nfs/dbraw/zinc/34/05/43/359340543.db2.gz JSWKGSZRDMDIDK-IAGOWNOFSA-N 0 0 313.401 2.401 10 30 DEEERN CC#CCCCC(=O)N1CCCc2nc(C(=O)OC)ccc21 ZINC000598880065 359349874 /nfs/dbraw/zinc/34/98/74/359349874.db2.gz XCVFGQDELHBMQN-UHFFFAOYSA-N 0 0 300.358 2.341 10 30 DEEERN C=C[C@@H](C)NC(=O)Nc1ccc(O[C@H](C)C(=O)OC)c(F)c1 ZINC000599870145 359614664 /nfs/dbraw/zinc/61/46/64/359614664.db2.gz NCKOHCYLDAJFBD-NXEZZACHSA-N 0 0 310.325 2.462 10 30 DEEERN C=CCOC[C@H](NC(=O)C1(C)CCC(F)(F)CC1)C(=O)OC ZINC000599873142 359615283 /nfs/dbraw/zinc/61/52/83/359615283.db2.gz FVUNSOOPCRYXIA-NSHDSACASA-N 0 0 319.348 2.062 10 30 DEEERN C=CCN(CCC#N)C(=O)c1cc(C)n(-c2cnccn2)c1C ZINC000599961946 359626325 /nfs/dbraw/zinc/62/63/25/359626325.db2.gz JXEJENJZZYYQAX-UHFFFAOYSA-N 0 0 309.373 2.426 10 30 DEEERN C=CCC[C@H](NC(=O)c1cc(C)c(C(=O)OC)o1)C(=O)OCC ZINC000599995895 359631654 /nfs/dbraw/zinc/63/16/54/359631654.db2.gz GFWRYNVTXQCRAH-NSHDSACASA-N 0 0 323.345 2.002 10 30 DEEERN N#Cc1cccc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000187576606 200130201 /nfs/dbraw/zinc/13/02/01/200130201.db2.gz HRKRQBHYGCIBBE-HOTGVXAUSA-N 0 0 312.394 2.468 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 ZINC000600213562 359692042 /nfs/dbraw/zinc/69/20/42/359692042.db2.gz WMAISKJTOQLXIO-CYBMUJFWSA-N 0 0 321.384 2.364 10 30 DEEERN C=CC[C@@H](C(=O)NC[C@H](C)N1CCOCC1)c1ccccc1 ZINC000188195185 200207572 /nfs/dbraw/zinc/20/75/72/200207572.db2.gz DYFCOURJOAXULR-DOTOQJQBSA-N 0 0 302.418 2.183 10 30 DEEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(COC)c(OC)c1 ZINC000627554178 366547954 /nfs/dbraw/zinc/54/79/54/366547954.db2.gz CMNFXFRRPZWWQE-CYBMUJFWSA-N 0 0 320.389 2.251 10 30 DEEERN C=CC[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188352431 200232154 /nfs/dbraw/zinc/23/21/54/200232154.db2.gz HVULMKMXMOHNEU-SWLSCSKDSA-N 0 0 319.380 2.190 10 30 DEEERN CC1(C)CO[C@H](Cn2cc(Br)cc(C#N)c2=O)C1 ZINC000601082286 359915002 /nfs/dbraw/zinc/91/50/02/359915002.db2.gz FTVNCLBJYQSHDO-NSHDSACASA-N 0 0 311.179 2.298 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2OCCF)C1 ZINC000627732681 366603480 /nfs/dbraw/zinc/60/34/80/366603480.db2.gz ALCISWUSYHJUKD-CYBMUJFWSA-N 0 0 320.364 2.398 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc3c(cc2C)OCO3)C1 ZINC000627733999 366603489 /nfs/dbraw/zinc/60/34/89/366603489.db2.gz IWZAQDCKBVHXMB-GFCCVEGCSA-N 0 0 316.357 2.087 10 30 DEEERN C=C1CC(C)(C(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)OC)C1 ZINC000601382499 360026004 /nfs/dbraw/zinc/02/60/04/360026004.db2.gz ZQLXNBPLEIOQDQ-CQSZACIVSA-N 0 0 321.348 2.219 10 30 DEEERN C=C(C)C[C@@H](NS(=O)(=O)c1ccccc1Cl)C(=O)OC ZINC000601503168 360056594 /nfs/dbraw/zinc/05/65/94/360056594.db2.gz ZAKSFVUEPIPJLG-LLVKDONJSA-N 0 0 317.794 2.126 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCOc1ccccc1F)C(=O)OC ZINC000601770176 360140445 /nfs/dbraw/zinc/14/04/45/360140445.db2.gz AWYVJKPEJDXGCU-CYBMUJFWSA-N 0 0 309.337 2.219 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(-c2cccs2)n[nH]1)C(=O)OC ZINC000601776548 360143525 /nfs/dbraw/zinc/14/35/25/360143525.db2.gz BRKCZONJYFFHGL-GFCCVEGCSA-N 0 0 319.386 2.376 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCOc1ccc(F)cc1)C(=O)OC ZINC000601779054 360144513 /nfs/dbraw/zinc/14/45/13/360144513.db2.gz RFRGAOOXJSQRMY-CQSZACIVSA-N 0 0 309.337 2.219 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(F)c(F)c(F)c1F)C(=O)OC ZINC000601778674 360144760 /nfs/dbraw/zinc/14/47/60/360144760.db2.gz OYMULZWCWIYYNJ-SECBINFHSA-N 0 0 319.254 2.481 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1coc2c1C(=O)CCC2)C(=O)OC ZINC000601781061 360146038 /nfs/dbraw/zinc/14/60/38/360146038.db2.gz GMMFCPRMWIBCRK-NSHDSACASA-N 0 0 305.330 2.036 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cnc(C(C)(C)C)nc1)C(=O)OC ZINC000601782978 360146796 /nfs/dbraw/zinc/14/67/96/360146796.db2.gz SKCUHNILCJGPGL-GFCCVEGCSA-N 0 0 305.378 2.012 10 30 DEEERN C=C(C)C[C@H](NC(=O)CSc1cccc(OC)c1)C(=O)OC ZINC000601787593 360150565 /nfs/dbraw/zinc/15/05/65/360150565.db2.gz ZNSTUHCMNPLYLG-AWEZNQCLSA-N 0 0 323.414 2.411 10 30 DEEERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cc(C#N)ccc2F)C1 ZINC000189318665 200381054 /nfs/dbraw/zinc/38/10/54/200381054.db2.gz KYBQEMLYIBGLBC-DZGCQCFKSA-N 0 0 316.336 2.351 10 30 DEEERN C=C[C@H](N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12)C(=O)OC ZINC000601932499 360196289 /nfs/dbraw/zinc/19/62/89/360196289.db2.gz GGCROGGDVDMNLW-SCUASFONSA-N 0 0 322.202 2.404 10 30 DEEERN C=C[C@@H](Nc1ccc2c(c1)OCC(C)(C)C(=O)N2)C(=O)OC ZINC000601937673 360198763 /nfs/dbraw/zinc/19/87/63/360198763.db2.gz DDPLJJPLCOAWOK-LLVKDONJSA-N 0 0 304.346 2.183 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602048867 360250364 /nfs/dbraw/zinc/25/03/64/360250364.db2.gz IATZPRXGBXIYDI-UHFFFAOYSA-N 0 0 303.337 2.354 10 30 DEEERN C=CCC1(CNC(=O)N2CC[C@@](OC)(C(=O)OC)C2)CCCC1 ZINC000602322468 360339885 /nfs/dbraw/zinc/33/98/85/360339885.db2.gz AEVUXYBYEDHUCR-KRWDZBQOSA-N 0 0 324.421 2.096 10 30 DEEERN C=CCOCCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000619154639 363720438 /nfs/dbraw/zinc/72/04/38/363720438.db2.gz AVOIOCBBLQOBDL-UHFFFAOYSA-N 0 0 321.377 2.042 10 30 DEEERN C=CCSCCNC(=O)C(=O)NCC(C)(C)C(F)(F)CC ZINC000602241085 360321045 /nfs/dbraw/zinc/32/10/45/360321045.db2.gz ZPBGEHUPNKGOOL-UHFFFAOYSA-N 0 0 322.421 2.210 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1CCC[C@@H](SC)C1 ZINC000602252067 360323445 /nfs/dbraw/zinc/32/34/45/360323445.db2.gz OKFCDVNECFAKQW-CHWSQXEVSA-N 0 0 312.479 2.495 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1c2cccc(C)c2C[C@@H]1C(=O)OC ZINC000602425689 360366124 /nfs/dbraw/zinc/36/61/24/360366124.db2.gz JYFBRZPSRJHHAE-WQVCFCJDSA-N 0 0 315.369 2.017 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC([C@H]2CCCCO2)CC1 ZINC000619177773 363726784 /nfs/dbraw/zinc/72/67/84/363726784.db2.gz RBOFQWYMQRIZGI-DLBZAZTESA-N 0 0 322.449 2.265 10 30 DEEERN C=C(C)C[C@@H](NCc1cc(C(=O)OCC)c(C)[nH]1)C(=O)OC ZINC000602732408 360523682 /nfs/dbraw/zinc/52/36/82/360523682.db2.gz BUEDFRMYXSTAPH-CQSZACIVSA-N 0 0 308.378 2.097 10 30 DEEERN C=C(C)C[C@H](NCc1c(C)nc2sc(C)nn12)C(=O)OC ZINC000602734627 360525994 /nfs/dbraw/zinc/52/59/94/360525994.db2.gz QCFYHEYDPULNDG-NSHDSACASA-N 0 0 308.407 2.005 10 30 DEEERN N#CC1CCC(CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000443230394 238109533 /nfs/dbraw/zinc/10/95/33/238109533.db2.gz XXEMVFQQUXRPRU-UHFFFAOYSA-N 0 0 318.402 2.171 10 30 DEEERN COc1ccccc1S(=O)(=O)NCC1CCC(C#N)CC1 ZINC000443224326 238109715 /nfs/dbraw/zinc/10/97/15/238109715.db2.gz IAGOHKJHUYFYFQ-UHFFFAOYSA-N 0 0 308.403 2.303 10 30 DEEERN C=CCOc1ccccc1C(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000603106734 360703915 /nfs/dbraw/zinc/70/39/15/360703915.db2.gz SHTSOTVROSXZJB-GASCZTMLSA-N 0 0 313.401 2.310 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)[C@H](O)C1CCOCC1 ZINC000605425770 360969445 /nfs/dbraw/zinc/96/94/45/360969445.db2.gz UZMIXYAGDOOCJS-MRXNPFEDSA-N 0 0 307.365 2.128 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000628038196 366699319 /nfs/dbraw/zinc/69/93/19/366699319.db2.gz XPGXJMNOXXGPCT-KFWWJZLASA-N 0 0 318.421 2.179 10 30 DEEERN N#Cc1ccc(N2CCC(Nc3ccc([N+](=O)[O-])nc3)CC2)nc1 ZINC000609797228 361339766 /nfs/dbraw/zinc/33/97/66/361339766.db2.gz VEWNCOBUPAHPBJ-UHFFFAOYSA-N 0 0 324.344 2.337 10 30 DEEERN N#Cc1cc(C(=O)O[C@@H]([C@H]2CCCO2)C(F)(F)F)ccn1 ZINC000193676325 201102010 /nfs/dbraw/zinc/10/20/10/201102010.db2.gz WQDLSCWYPJGZLT-MNOVXSKESA-N 0 0 300.236 2.220 10 30 DEEERN COc1cccc2c1OC[C@@H](NC(=O)Cc1cccc(C#N)c1)C2 ZINC000610521184 361415042 /nfs/dbraw/zinc/41/50/42/361415042.db2.gz DBUDOPXZJIOEJL-INIZCTEOSA-N 0 0 322.364 2.229 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000628314085 366806046 /nfs/dbraw/zinc/80/60/46/366806046.db2.gz MEEONAOLZWLUDZ-UHFFFAOYSA-N 0 0 301.394 2.153 10 30 DEEERN C=CC(C)(C)CCNC(=O)CCNC(=O)Cc1ccccc1 ZINC000628318089 366807759 /nfs/dbraw/zinc/80/77/59/366807759.db2.gz OBDULNFZIWQRJA-UHFFFAOYSA-N 0 0 302.418 2.454 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NC[C@@H](n1cccn1)C(F)(F)F ZINC000628333110 366816288 /nfs/dbraw/zinc/81/62/88/366816288.db2.gz NBLDEGRQHJVZRW-WDEREUQCSA-N 0 0 305.300 2.084 10 30 DEEERN N#Cc1cccc(CC(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000610870499 361482812 /nfs/dbraw/zinc/48/28/12/361482812.db2.gz JBSUENJYXUYTNI-RDJZCZTQSA-N 0 0 316.426 2.272 10 30 DEEERN CCCn1ccnc1CCCN(C)C(=O)c1ccnc(C#N)c1 ZINC000194351416 201207514 /nfs/dbraw/zinc/20/75/14/201207514.db2.gz FEEYIZHKOMJISU-UHFFFAOYSA-N 0 0 311.389 2.265 10 30 DEEERN CC(=O)N1CCN(Cc2ccnc(C#N)c2)CC12CCCCC2 ZINC000611224986 361553965 /nfs/dbraw/zinc/55/39/65/361553965.db2.gz AEVOLTLGAKSQBU-UHFFFAOYSA-N 0 0 312.417 2.320 10 30 DEEERN C[C@@H]1C[C@H](CNC(=O)NCc2ccc(C#N)cc2F)CCO1 ZINC000611294473 361573656 /nfs/dbraw/zinc/57/36/56/361573656.db2.gz ZSXKFWAQUSQMTG-DGCLKSJQSA-N 0 0 305.353 2.312 10 30 DEEERN Cc1c(C(=O)N2CCC(C)(C#N)CC2)cnn1-c1ccccn1 ZINC000611561176 361632435 /nfs/dbraw/zinc/63/24/35/361632435.db2.gz OFOGKBQRWXYBPF-UHFFFAOYSA-N 0 0 309.373 2.342 10 30 DEEERN C=CCOCCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000611564321 361632499 /nfs/dbraw/zinc/63/24/99/361632499.db2.gz OOQXUMORUHPZAS-UHFFFAOYSA-N 0 0 319.361 2.471 10 30 DEEERN C[C@@H](C(=O)N1CC[C@@H](C)[C@H]2CCCC[C@H]21)n1cnc(C#N)n1 ZINC000619586932 363835309 /nfs/dbraw/zinc/83/53/09/363835309.db2.gz UFSIXVNRIKDECA-XJFOESAGSA-N 0 0 301.394 2.138 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NCc2ccc(Cl)o2)s1 ZINC000619547080 363822427 /nfs/dbraw/zinc/82/24/27/363822427.db2.gz JTIJEKWWSKIGRB-UHFFFAOYSA-N 0 0 302.764 2.345 10 30 DEEERN C[C@@H](C(=O)Nc1nc2ccccc2n1C1CC1)n1cnc(C#N)n1 ZINC000619598046 363836278 /nfs/dbraw/zinc/83/62/78/363836278.db2.gz KTRDKZRXYDHPHD-JTQLQIEISA-N 0 0 321.344 2.034 10 30 DEEERN C[C@H](C(=O)N1CCCCc2sccc21)n1cnc(C#N)n1 ZINC000619600190 363837699 /nfs/dbraw/zinc/83/76/99/363837699.db2.gz TUCYLTLODFTUPH-SNVBAGLBSA-N 0 0 301.375 2.142 10 30 DEEERN CCC(CC)(CCO)NC(=O)NCc1ccc(C#N)cc1F ZINC000619817605 363881118 /nfs/dbraw/zinc/88/11/18/363881118.db2.gz JKFVHDXCQRRQJA-UHFFFAOYSA-N 0 0 307.369 2.438 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)c(OCCO)c1 ZINC000620303180 364012880 /nfs/dbraw/zinc/01/28/80/364012880.db2.gz LBNKCSNAQSIJDT-GASCZTMLSA-N 0 0 317.385 2.390 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cc(OC)ccc1F ZINC000621463960 364413041 /nfs/dbraw/zinc/41/30/41/364413041.db2.gz IXAMAUXFLILHHI-NHYWBVRUSA-N 0 0 308.353 2.225 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(N)c3)cc2C1=O ZINC000621680370 364502053 /nfs/dbraw/zinc/50/20/53/364502053.db2.gz ZXAOOHLWJRUKFZ-UHFFFAOYSA-N 0 0 321.336 2.303 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CNC(=O)c2ccc(OCC)cc2)C1 ZINC000628481987 366862621 /nfs/dbraw/zinc/86/26/21/366862621.db2.gz AUZZJWFNOXHSGC-CQSZACIVSA-N 0 0 316.401 2.240 10 30 DEEERN C=CC[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)C1 ZINC000628487399 366865208 /nfs/dbraw/zinc/86/52/08/366865208.db2.gz DVFVBYMCYYQIPK-HOTGVXAUSA-N 0 0 321.465 2.489 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 ZINC000628487179 366865218 /nfs/dbraw/zinc/86/52/18/366865218.db2.gz ZHWUPZJPODEDEV-CYBMUJFWSA-N 0 0 301.390 2.289 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cccc3c2O[C@@H](C)C(=O)N3)C1 ZINC000628487379 366865296 /nfs/dbraw/zinc/86/52/96/366865296.db2.gz DMZDWPBABBMBDT-NWDGAFQWSA-N 0 0 300.358 2.444 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cnc3c(cnn3C)c2OC)C1 ZINC000628491366 366865473 /nfs/dbraw/zinc/86/54/73/366865473.db2.gz XFJMLVCDLISDIO-LLVKDONJSA-N 0 0 300.362 2.015 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)C1 ZINC000628492828 366866753 /nfs/dbraw/zinc/86/67/53/366866753.db2.gz CNMVUPCNOYSUMA-FRRDWIJNSA-N 0 0 321.339 2.395 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N[C@H]1c2ccccc2CN(C)C1=O ZINC000623211751 364922412 /nfs/dbraw/zinc/92/24/12/364922412.db2.gz HFEQBTGBTLPZOW-HIFRSBDPSA-N 0 0 301.390 2.354 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@@H](C)C(=O)NCc1ccco1 ZINC000623535247 365067725 /nfs/dbraw/zinc/06/77/25/365067725.db2.gz RQJARQZPRBVLSF-LBPRGKRZSA-N 0 0 307.394 2.186 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCC2(C(=O)N(C)C)CCCC2)C1 ZINC000623611034 365099983 /nfs/dbraw/zinc/09/99/83/365099983.db2.gz SNODRAXAYFORQS-AWEZNQCLSA-N 0 0 307.438 2.243 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2C[C@H](OCC)[C@H]2n2cccn2)C1 ZINC000624133265 365300904 /nfs/dbraw/zinc/30/09/04/365300904.db2.gz KDFOCZRMNPDGHR-WCVJEAGWSA-N 0 0 318.421 2.209 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCCC[C@H]1CS(C)(=O)=O ZINC000624462752 365429788 /nfs/dbraw/zinc/42/97/88/365429788.db2.gz BZTSIIKHZMIFMX-ZDUSSCGKSA-N 0 0 316.467 2.197 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C(=O)OCC)c1ccccc1 ZINC000449952898 241288753 /nfs/dbraw/zinc/28/87/53/241288753.db2.gz XAJFMRVFLWLOQZ-PMPSAXMXSA-N 0 0 317.385 2.041 10 30 DEEERN COc1cccc(O[C@H](C)CNC(=O)c2ccc(C#N)n2C)c1 ZINC000449963689 241302133 /nfs/dbraw/zinc/30/21/33/241302133.db2.gz BOEKTJSCXVQWFZ-GFCCVEGCSA-N 0 0 313.357 2.103 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCc1ccc2oc(=O)n(C)c2c1)OCC ZINC000629061142 367064764 /nfs/dbraw/zinc/06/47/64/367064764.db2.gz QDYMDVXCDQXBRR-OAHLLOKOSA-N 0 0 318.373 2.119 10 30 DEEERN C=CCOc1ccc(CC(=O)N2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000629092556 367077205 /nfs/dbraw/zinc/07/72/05/367077205.db2.gz DJABGVVENOBVNG-QFBILLFUSA-N 0 0 315.413 2.415 10 30 DEEERN C=C(CN1C(=O)N[C@@H](C[C@@H]2CCCOC2)C1=O)c1ccccc1 ZINC000629470085 367209946 /nfs/dbraw/zinc/20/99/46/367209946.db2.gz HXEDUVZZWSRHCB-HOCLYGCPSA-N 0 0 314.385 2.437 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cc(C)n(CC(F)(F)F)n2)C1=O ZINC000630522101 367703913 /nfs/dbraw/zinc/70/39/13/367703913.db2.gz NCVMHQTUPSLTAF-VIFPVBQESA-N 0 0 316.283 2.145 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2ccc(OCCOC)cc2)C1=O ZINC000630501711 367692014 /nfs/dbraw/zinc/69/20/14/367692014.db2.gz BZOFVRLLGDUQMS-CQSZACIVSA-N 0 0 304.346 2.103 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2ccc(OC)c(NC(C)=O)c2)C1=O ZINC000630502986 367694072 /nfs/dbraw/zinc/69/40/72/367694072.db2.gz ZDZKGBOEHCGUOH-ZDUSSCGKSA-N 0 0 317.345 2.045 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cccc(OCCCOC)c2)C1=O ZINC000630509872 367697570 /nfs/dbraw/zinc/69/75/70/367697570.db2.gz RUEGLHXAFYRDIZ-OAHLLOKOSA-N 0 0 318.373 2.493 10 30 DEEERN C=CCNC(=O)Cn1cc(-c2ccccc2OC(C)C)nn1 ZINC000630609545 367756494 /nfs/dbraw/zinc/75/64/94/367756494.db2.gz SAYLFFYNURNEHJ-UHFFFAOYSA-N 0 0 300.362 2.035 10 30 DEEERN C[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1)c1ccccn1 ZINC000092131156 193165919 /nfs/dbraw/zinc/16/59/19/193165919.db2.gz SYLLHTFTKSYHFI-GFCCVEGCSA-N 0 0 301.371 2.187 10 30 DEEERN Cc1ncsc1CN(C)S(=O)(=O)c1ccc(CC#N)cc1 ZINC000092132256 193166651 /nfs/dbraw/zinc/16/66/51/193166651.db2.gz FUFCGMUUJQMNBI-UHFFFAOYSA-N 0 0 321.427 2.338 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2cn3cc(Cl)ccc3n2)C1=O ZINC000630965610 367939989 /nfs/dbraw/zinc/93/99/89/367939989.db2.gz BAHLUFJLCWBYGX-LBPRGKRZSA-N 0 0 318.764 2.374 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@H](C)N2CCc3ccccc32)C1=O ZINC000630970350 367942785 /nfs/dbraw/zinc/94/27/85/367942785.db2.gz MQFYLEUFPXBIPB-DZGCQCFKSA-N 0 0 313.401 2.324 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2cccc(OCCOC)c2)C1=O ZINC000630971701 367943827 /nfs/dbraw/zinc/94/38/27/367943827.db2.gz UUXNDZGQWQHXAH-OAHLLOKOSA-N 0 0 318.373 2.098 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H](CCOC)Cc2ccco2)C1=O ZINC000630975870 367946372 /nfs/dbraw/zinc/94/63/72/367946372.db2.gz AFLLHDGCCJCXSW-OCCSQVGLSA-N 0 0 306.362 2.114 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C2CCC(c3nc(C)no3)CC2)C1=O ZINC000630976781 367946592 /nfs/dbraw/zinc/94/65/92/367946592.db2.gz FPACCQRNLOCLRG-BPCQOVAHSA-N 0 0 318.377 2.291 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C2CCC(c3nc(C)no3)CC2)C1=O ZINC000630976784 367946891 /nfs/dbraw/zinc/94/68/91/367946891.db2.gz FPACCQRNLOCLRG-WXRRBKDZSA-N 0 0 318.377 2.291 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2csc([C@@H](C)OC)n2)C1=O ZINC000630977238 367947927 /nfs/dbraw/zinc/94/79/27/367947927.db2.gz HFAKKELLXWAOJU-MWLCHTKSSA-N 0 0 309.391 2.237 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@H](CCO)c2ccccc2)C1=O ZINC000630982409 367949314 /nfs/dbraw/zinc/94/93/14/367949314.db2.gz OLQJSNANEWEZAA-LSDHHAIUSA-N 0 0 302.374 2.039 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2COc3c(C)cccc3C2)C1=O ZINC000630982693 367949315 /nfs/dbraw/zinc/94/93/15/367949315.db2.gz OLNHWQCPKRZILX-KGLIPLIRSA-N 0 0 300.358 2.185 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCc2cn3c(cccc3C)n2)C1=O ZINC000630986162 367951805 /nfs/dbraw/zinc/95/18/05/367951805.db2.gz MRCIGDQMISFABG-AWEZNQCLSA-N 0 0 312.373 2.072 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H](c2ccc(OC)nc2)C2CC2)C1=O ZINC000630986810 367952376 /nfs/dbraw/zinc/95/23/76/367952376.db2.gz SWNOTXPQKKFANG-ZFWWWQNUSA-N 0 0 315.373 2.428 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)C1=O ZINC000630987360 367953194 /nfs/dbraw/zinc/95/31/94/367953194.db2.gz OSXZUGCISSUJJP-CBBWQLFWSA-N 0 0 300.333 2.350 10 30 DEEERN C=C1CC(C)(C(=O)N2CCC(C(=O)NCCCOCC)CC2)C1 ZINC000631273704 368115076 /nfs/dbraw/zinc/11/50/76/368115076.db2.gz SGAGBTJKWVTWLO-UHFFFAOYSA-N 0 0 322.449 2.124 10 30 DEEERN C=CCN(CC=C)S(=O)(=O)CCc1noc2ccccc21 ZINC000631638096 368321159 /nfs/dbraw/zinc/32/11/59/368321159.db2.gz JIJFETOXAJTKDK-UHFFFAOYSA-N 0 0 306.387 2.374 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(C#N)n1C ZINC000451696147 243314361 /nfs/dbraw/zinc/31/43/61/243314361.db2.gz SEAVKIQZDFVWKV-UHFFFAOYSA-N 0 0 313.357 2.201 10 30 DEEERN CC[C@@](C)(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)OC ZINC000452743461 244575156 /nfs/dbraw/zinc/57/51/56/244575156.db2.gz UIXHYTCIMURXHN-CVEARBPZSA-N 0 0 312.410 2.179 10 30 DEEERN CCN[C@]1(C#N)CC[C@@H](Sc2nnnn2C2CCCC2)C1 ZINC000093806339 193309628 /nfs/dbraw/zinc/30/96/28/193309628.db2.gz LJLHYPJKGBRPGU-TZMCWYRMSA-N 0 0 306.439 2.305 10 30 DEEERN CN(C)c1nnc(S[C@@H]2CC[C@](C#N)(NC3CC3)C2)s1 ZINC000093822066 193313183 /nfs/dbraw/zinc/31/31/83/193313183.db2.gz NWBVKCNGFOECHN-MFKMUULPSA-N 0 0 309.464 2.263 10 30 DEEERN C[C@@H](O)c1ccc(N2CCO[C@@H](C#N)C2)c(Br)c1 ZINC000093933116 193329611 /nfs/dbraw/zinc/32/96/11/193329611.db2.gz NHCBKWUMDKRYRO-KOLCDFICSA-N 0 0 311.179 2.231 10 30 DEEERN COc1cc(C#N)ccc1O[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094636543 193386889 /nfs/dbraw/zinc/38/68/89/193386889.db2.gz UXEQVAMPHATYNJ-QWHCGFSZSA-N 0 0 309.387 2.301 10 30 DEEERN Cc1cc(C(=O)N(C)CCC(F)(F)F)sc1C#CCO ZINC000094535809 193377196 /nfs/dbraw/zinc/37/71/96/193377196.db2.gz SQTMPGPMJCZEAM-UHFFFAOYSA-N 0 0 305.321 2.425 10 30 DEEERN CO[C@@H]1CCC[C@H]1NC(=O)c1cc(C)c(C#CCCO)s1 ZINC000094535094 193377496 /nfs/dbraw/zinc/37/74/96/193377496.db2.gz PRRRGKQACSVELR-CHWSQXEVSA-N 0 0 307.415 2.088 10 30 DEEERN COc1ccc(NC(=O)c2cc(C)c(C#CCO)s2)cn1 ZINC000094533278 193377648 /nfs/dbraw/zinc/37/76/48/193377648.db2.gz IWSNNYVDQMAGFE-UHFFFAOYSA-N 0 0 302.355 2.056 10 30 DEEERN Cc1cc(C(=O)N2C[C@@H](C)S[C@H](C)C2)sc1C#CCO ZINC000094535529 193377775 /nfs/dbraw/zinc/37/77/75/193377775.db2.gz WHDAZOLFTJMYKD-VXGBXAGGSA-N 0 0 309.456 2.366 10 30 DEEERN C#CCSCCNC(=O)Nc1ccc(OC)c(OC)c1OC ZINC000265970024 205008087 /nfs/dbraw/zinc/00/80/87/205008087.db2.gz UCOWHVVXNJCFPV-UHFFFAOYSA-N 0 0 324.402 2.200 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc2nc(C)cn2c1 ZINC000271699940 209135854 /nfs/dbraw/zinc/13/58/54/209135854.db2.gz WAQNEHPLXJXWKN-UHFFFAOYSA-N 0 0 300.362 2.006 10 30 DEEERN Cc1c(CNc2ccccc2S(C)(=O)=O)cc(C#N)n1C ZINC000160927400 197451273 /nfs/dbraw/zinc/45/12/73/197451273.db2.gz POZBLOFPKYMZCY-UHFFFAOYSA-N 0 0 303.387 2.221 10 30 DEEERN N#CCCNC(=O)CNc1ccc(F)cc1Br ZINC000020430845 182217386 /nfs/dbraw/zinc/21/73/86/182217386.db2.gz OIMBHARYUOLSBX-UHFFFAOYSA-N 0 0 300.131 2.030 10 30 DEEERN C=CCC1(CNC(=O)c2c3n(c(=O)n2C)CCCC3)CCCC1 ZINC000456502737 247238114 /nfs/dbraw/zinc/23/81/14/247238114.db2.gz HNGQVMNTXAVZNP-UHFFFAOYSA-N 0 0 317.433 2.389 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@H](C)Cc1cccc(OC)c1 ZINC000458397775 248291435 /nfs/dbraw/zinc/29/14/35/248291435.db2.gz XOTWWDBOHQDJAC-UKRRQHHQSA-N 0 0 306.406 2.253 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@@H]1C[C@@]1(C)c1ccccc1OC ZINC000458413879 248297720 /nfs/dbraw/zinc/29/77/20/248297720.db2.gz CKSOWDUJAZEFDT-QBIMZIAESA-N 0 0 318.417 2.352 10 30 DEEERN CC#CCN(C)C(=O)N[C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000458529194 248356509 /nfs/dbraw/zinc/35/65/09/248356509.db2.gz HBXDOEALQNVTIF-LLVKDONJSA-N 0 0 323.418 2.354 10 30 DEEERN CN(CC1CCOCC1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000159445854 291654568 /nfs/dbraw/zinc/65/45/68/291654568.db2.gz LCKLGXSDTJEYSS-UHFFFAOYSA-N 0 0 317.389 2.005 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000487052018 248745100 /nfs/dbraw/zinc/74/51/00/248745100.db2.gz XCTAKMZLLHRIOH-GJZGRUSLSA-N 0 0 307.438 2.193 10 30 DEEERN C=CCNC(=O)N1CCN(c2nc3ccc(F)cc3s2)CC1 ZINC000038550742 183002516 /nfs/dbraw/zinc/00/25/16/183002516.db2.gz AKMGGUKDRPQACA-UHFFFAOYSA-N 0 0 320.393 2.453 10 30 DEEERN COC(=O)C(C)(C)N1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000489971857 248858085 /nfs/dbraw/zinc/85/80/85/248858085.db2.gz LGFKTJHYYCYPMF-UHFFFAOYSA-N 0 0 321.808 2.285 10 30 DEEERN C=CCN(CC=C)C(=O)c1sc2ncn(C)c(=O)c2c1C ZINC000041293381 183183657 /nfs/dbraw/zinc/18/36/57/183183657.db2.gz JFWHSAPQNJASAG-UHFFFAOYSA-N 0 0 303.387 2.118 10 30 DEEERN C=CCOC(=O)c1sc(NC(=O)c2ccncc2)nc1C ZINC000041569029 183204849 /nfs/dbraw/zinc/20/48/49/183204849.db2.gz BQUDYLBGCSSZNK-UHFFFAOYSA-N 0 0 303.343 2.442 10 30 DEEERN CN(Cc1csc(C#CCCO)c1)C(=O)CC(F)(F)F ZINC000042364249 183258689 /nfs/dbraw/zinc/25/86/89/183258689.db2.gz ISQPKZKAJHWHDP-UHFFFAOYSA-N 0 0 305.321 2.393 10 30 DEEERN CN(Cc1cscn1)C(=O)c1ccc(C#CCCO)cc1 ZINC000042871247 183316318 /nfs/dbraw/zinc/31/63/18/183316318.db2.gz UZDDHTJXEWZBMU-UHFFFAOYSA-N 0 0 300.383 2.149 10 30 DEEERN Cc1c(F)cccc1NS(=O)(=O)c1ccc(N)cc1C#N ZINC000043319884 183355444 /nfs/dbraw/zinc/35/54/44/183355444.db2.gz BPYQOXLYTYXEEG-UHFFFAOYSA-N 0 0 305.334 2.389 10 30 DEEERN N#CC1(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CCCC1 ZINC000104524868 194012739 /nfs/dbraw/zinc/01/27/39/194012739.db2.gz GMFTUMBFTXROBG-UHFFFAOYSA-N 0 0 324.384 2.118 10 30 DEEERN Cc1cc(N)cc(S(=O)(=O)N(CCC#N)CC(C)C)c1F ZINC000159485086 197357608 /nfs/dbraw/zinc/35/76/08/197357608.db2.gz BVWBWXFQVYKIDW-UHFFFAOYSA-N 0 0 313.398 2.277 10 30 DEEERN Cc1cnn([C@H]2CCCN(C(=O)COc3ccccc3C#N)C2)c1 ZINC000105857510 194147893 /nfs/dbraw/zinc/14/78/93/194147893.db2.gz ILIKSNDQENYBNE-INIZCTEOSA-N 0 0 324.384 2.306 10 30 DEEERN Cc1cc(C#N)nc(N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)n1 ZINC000552952251 291729390 /nfs/dbraw/zinc/72/93/90/291729390.db2.gz XVLYLYRKWIAFAA-GJZGRUSLSA-N 0 0 305.385 2.229 10 30 DEEERN C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159404756 197351662 /nfs/dbraw/zinc/35/16/62/197351662.db2.gz DZQALWQMHMLTHU-DTWKUNHWSA-N 0 0 314.311 2.294 10 30 DEEERN C[C@@H](NS(=O)(=O)c1cccs1)c1cccc(C#CCO)c1 ZINC000049590882 183744456 /nfs/dbraw/zinc/74/44/56/183744456.db2.gz MBAJTQUOSUTEPP-GFCCVEGCSA-N 0 0 321.423 2.131 10 30 DEEERN CN(CCC#N)C(=O)c1cc(Br)cnc1Cl ZINC000050044555 183769338 /nfs/dbraw/zinc/76/93/38/183769338.db2.gz CGMGQRJATRGRLI-UHFFFAOYSA-N 0 0 302.559 2.483 10 30 DEEERN CCC[C@@H](CC)NS(=O)(=O)c1ccccc1C#CCCO ZINC000050398615 183784969 /nfs/dbraw/zinc/78/49/69/183784969.db2.gz UTJASGKMLYGPDM-OAHLLOKOSA-N 0 0 309.431 2.278 10 30 DEEERN C#CCN[C@@H](C(=O)OCC)c1ccc(OC(F)(F)F)cc1 ZINC000051965070 183844224 /nfs/dbraw/zinc/84/42/24/183844224.db2.gz NMHNIYSJDGJMHL-GFCCVEGCSA-N 0 0 301.264 2.412 10 30 DEEERN CC(C)COC1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000055284801 183977341 /nfs/dbraw/zinc/97/73/41/183977341.db2.gz LQXGLEPWPFJSTR-UHFFFAOYSA-N 0 0 322.430 2.384 10 30 DEEERN C#CCOC[C@@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 ZINC000056923254 184021859 /nfs/dbraw/zinc/02/18/59/184021859.db2.gz NTJKSRZSVVEVQQ-CQSZACIVSA-N 0 0 309.369 2.132 10 30 DEEERN C[C@@H](C(=O)N[C@@H](c1cccs1)C1CC1)n1cnc(C#N)n1 ZINC000538419137 285034826 /nfs/dbraw/zinc/03/48/26/285034826.db2.gz DAEQYWHOASAWHY-TVQRCGJNSA-N 0 0 301.375 2.040 10 30 DEEERN Cc1c(Cl)cnc(N2CCN(c3cccnn3)CC2)c1C#N ZINC000272979742 210360185 /nfs/dbraw/zinc/36/01/85/210360185.db2.gz AQTZABLBMZBZSR-UHFFFAOYSA-N 0 0 314.780 2.032 10 30 DEEERN CS[C@@H](C)CCNS(=O)(=O)c1cccc(F)c1C#N ZINC000158548753 197282899 /nfs/dbraw/zinc/28/28/99/197282899.db2.gz CZXAQEWPPJZSGM-VIFPVBQESA-N 0 0 302.396 2.117 10 30 DEEERN CSCC[C@H](C)N(C)S(=O)(=O)Cc1ccccc1C#N ZINC000158446534 197272556 /nfs/dbraw/zinc/27/25/56/197272556.db2.gz PLHFPUIYRFPAQV-LBPRGKRZSA-N 0 0 312.460 2.461 10 30 DEEERN N#Cc1ccc(F)cc1CN1CCN(c2ncccc2C#N)CC1 ZINC000158294168 197260044 /nfs/dbraw/zinc/26/00/44/197260044.db2.gz QZPHVTPWJWBZIY-UHFFFAOYSA-N 0 0 321.359 2.286 10 30 DEEERN N#C[C@@]1([C@H](O)c2ccc3ccccc3c2)CCS(=O)(=O)C1 ZINC000157644711 197205117 /nfs/dbraw/zinc/20/51/17/197205117.db2.gz XPJCWQWVPCKIHU-CVEARBPZSA-N 0 0 301.367 2.202 10 30 DEEERN COc1cnccc1[C@@H](C)NC(=O)Nc1ccn(CCC#N)n1 ZINC000188246829 533138727 /nfs/dbraw/zinc/13/87/27/533138727.db2.gz VRDYINNJVUMGEZ-LLVKDONJSA-N 0 0 314.349 2.083 10 30 DEEERN COCCO[C@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000189562042 533194367 /nfs/dbraw/zinc/19/43/67/533194367.db2.gz GACREOVNCGGFQX-INIZCTEOSA-N 0 0 314.385 2.119 10 30 DEEERN COCC[C@H](Cc1ccco1)NC(=O)Cc1cccc(C#N)c1 ZINC000544067522 285330569 /nfs/dbraw/zinc/33/05/69/285330569.db2.gz UTMGOCAOZSPDAM-MRXNPFEDSA-N 0 0 312.369 2.458 10 30 DEEERN CCN1CCOC[C@@H]1C(=O)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000329216290 285340694 /nfs/dbraw/zinc/34/06/94/285340694.db2.gz OFQGKVKCCRBMNB-BZUAXINKSA-N 0 0 304.390 2.194 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000121900321 195370543 /nfs/dbraw/zinc/37/05/43/195370543.db2.gz DRAHIBKGKMNELO-GFCCVEGCSA-N 0 0 318.339 2.212 10 30 DEEERN CC(=O)C[C@@H]1COCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000121917961 195374097 /nfs/dbraw/zinc/37/40/97/195374097.db2.gz AKSWLJFBBXGMQE-MRXNPFEDSA-N 0 0 312.369 2.062 10 30 DEEERN Cn1nccc1CCC(=O)Nc1nc2c(cc1C#N)CCCC2 ZINC000121922580 195375841 /nfs/dbraw/zinc/37/58/41/195375841.db2.gz BJNQQUOSDOBPQC-UHFFFAOYSA-N 0 0 309.373 2.137 10 30 DEEERN Cc1ccc(N2C[C@@H](C(=O)NC3(C#N)CCCC3)CC2=O)cc1 ZINC000121968551 195383339 /nfs/dbraw/zinc/38/33/39/195383339.db2.gz JAPIMLBQGUXWIS-AWEZNQCLSA-N 0 0 311.385 2.301 10 30 DEEERN COc1cc(Br)ccc1C(=O)N[C@@H](C#N)C1CC1 ZINC000122202315 195416870 /nfs/dbraw/zinc/41/68/70/195416870.db2.gz AUSSVLQXZVBGKT-NSHDSACASA-N 0 0 309.163 2.490 10 30 DEEERN Cc1cc(CS(=O)(=O)Nc2cc(C#N)ccc2Cl)no1 ZINC000127891772 195918274 /nfs/dbraw/zinc/91/82/74/195918274.db2.gz HKUZXANVWRAKFO-UHFFFAOYSA-N 0 0 311.750 2.450 10 30 DEEERN COC(=O)CCCCC(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000189011211 533359043 /nfs/dbraw/zinc/35/90/43/533359043.db2.gz LUJBPUKHZDIWIQ-GOSISDBHSA-N 0 0 314.385 2.287 10 30 DEEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc(C#N)cn1C ZINC000176012512 132516756 /nfs/dbraw/zinc/51/67/56/132516756.db2.gz XLGUXKQVORYSGV-AWEZNQCLSA-N 0 0 311.389 2.224 10 30 DEEERN CC(=O)N(C)c1ccc(C(=O)NCc2cccc(C#N)c2)cc1 ZINC000362625385 133241967 /nfs/dbraw/zinc/24/19/67/133241967.db2.gz WIKCMFDBIQRANX-UHFFFAOYSA-N 0 0 307.353 2.471 10 30 DEEERN COc1cc(CN2C[C@]3(CCOC3)OC(C)(C)C2)ccc1C#N ZINC000368521098 133276681 /nfs/dbraw/zinc/27/66/81/133276681.db2.gz BMMWZUARRHWJMS-SFHVURJKSA-N 0 0 316.401 2.337 10 30 DEEERN COc1ncc(CN2CCO[C@@H](c3cccc(C#N)c3)C2)c(C)n1 ZINC000376748687 133306283 /nfs/dbraw/zinc/30/62/83/133306283.db2.gz CBRGHRCCALIEQS-QGZVFWFLSA-N 0 0 324.384 2.239 10 30 DEEERN CS(=O)(=O)OC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000035973434 134693826 /nfs/dbraw/zinc/69/38/26/134693826.db2.gz VWKWUVNIXWBEAA-UHFFFAOYSA-N 0 0 324.324 2.045 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(Cc3cc(F)ccc3C#N)[C@@H]2C1 ZINC000158330079 285749792 /nfs/dbraw/zinc/74/97/92/285749792.db2.gz PXAMDUQPDNKEJY-BRWVUGGUSA-N 0 0 304.365 2.466 10 30 DEEERN CN(C(=O)NCCOc1ccc(C#N)cc1)[C@H]1CCSC1 ZINC000125419100 144722496 /nfs/dbraw/zinc/72/24/96/144722496.db2.gz PBJCLBHFWLKWJM-ZDUSSCGKSA-N 0 0 305.403 2.084 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)COc3ccccc3)C2)cc1 ZINC000130786672 144755697 /nfs/dbraw/zinc/75/56/97/144755697.db2.gz PJGNDQPXTJCXPQ-UHFFFAOYSA-N 0 0 308.337 2.227 10 30 DEEERN N#Cc1cc(C(=O)Nc2c[nH]cc(Br)c2=O)c[nH]1 ZINC000182833871 144921359 /nfs/dbraw/zinc/92/13/59/144921359.db2.gz HZTYJTSHVUWQNT-UHFFFAOYSA-N 0 0 307.107 2.002 10 30 DEEERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(F)c1C#N ZINC000188508864 145013396 /nfs/dbraw/zinc/01/33/96/145013396.db2.gz ZCNFYMZNSMUYCV-CYBMUJFWSA-N 0 0 313.336 2.116 10 30 DEEERN N#Cc1c(F)cccc1C(=O)NCc1cccnc1-n1ccnc1 ZINC000189121518 145022836 /nfs/dbraw/zinc/02/28/36/145022836.db2.gz UYRYHSPCBAZYGD-UHFFFAOYSA-N 0 0 321.315 2.208 10 30 DEEERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(C#N)c(F)c2)C1 ZINC000192210059 145072212 /nfs/dbraw/zinc/07/22/12/145072212.db2.gz ULHFCOXOALUDDR-DZGCQCFKSA-N 0 0 316.336 2.351 10 30 DEEERN COc1cc(F)c(NC(=O)c2ccnc(C#N)c2)cc1OC ZINC000193187308 145083644 /nfs/dbraw/zinc/08/36/44/145083644.db2.gz VWYWVSRSGKIVEM-UHFFFAOYSA-N 0 0 301.277 2.362 10 30 DEEERN N#Cc1cccc(C#N)c1N1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000193535545 145086997 /nfs/dbraw/zinc/08/69/97/145086997.db2.gz BNFFBUVQTQYZEH-CQSZACIVSA-N 0 0 304.357 2.186 10 30 DEEERN N#Cc1cc(C(=O)Nc2nc3c(cc2C#N)CCCC3)ccn1 ZINC000193732552 145089279 /nfs/dbraw/zinc/08/92/79/145089279.db2.gz TXXHDGYQPYVYGW-UHFFFAOYSA-N 0 0 303.325 2.351 10 30 DEEERN Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1ccnc(C#N)c1 ZINC000193821462 145090326 /nfs/dbraw/zinc/09/03/26/145090326.db2.gz LZECQGWWGYCJHN-UHFFFAOYSA-N 0 0 309.251 2.266 10 30 DEEERN CC[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2C#N)C[C@H](C)O1 ZINC000247503765 145139588 /nfs/dbraw/zinc/13/95/88/145139588.db2.gz IPCKQCAJQVHWNB-KCQAQPDRSA-N 0 0 302.374 2.351 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000252647404 145200105 /nfs/dbraw/zinc/20/01/05/145200105.db2.gz XYURATNECAVMQA-BJOOFOGMSA-N 0 0 322.364 2.100 10 30 DEEERN CC(=O)N[C@@H](CC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000253491065 145202685 /nfs/dbraw/zinc/20/26/85/145202685.db2.gz LAZMWNLCPRFVGM-SFHVURJKSA-N 0 0 321.380 2.442 10 30 DEEERN N#Cc1ccnc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c1 ZINC000348254898 146242097 /nfs/dbraw/zinc/24/20/97/146242097.db2.gz GFXWSIUTJJNUEU-HOCLYGCPSA-N 0 0 311.316 2.040 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCC(C)(C)O ZINC000357276674 147078086 /nfs/dbraw/zinc/07/80/86/147078086.db2.gz WWTYTQJKUFPDLB-OAHLLOKOSA-N 0 0 304.390 2.239 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)c1ccn(C)n1 ZINC000358477410 147141307 /nfs/dbraw/zinc/14/13/07/147141307.db2.gz QGVPVWXDEXCZTE-INIZCTEOSA-N 0 0 312.373 2.358 10 30 DEEERN CCOCc1nc([C@@H](C)NC(=O)c2sccc2C#N)no1 ZINC000359492816 147337557 /nfs/dbraw/zinc/33/75/57/147337557.db2.gz JZSJRNSJNFQVTF-MRVPVSSYSA-N 0 0 306.347 2.030 10 30 DEEERN COc1ccc(C2=NO[C@H](CNc3ccncc3C#N)C2)cc1C ZINC000370668021 148041952 /nfs/dbraw/zinc/04/19/52/148041952.db2.gz RZSQLVHHRXARFD-HNNXBMFYSA-N 0 0 322.368 2.297 10 30 DEEERN Cc1cccc(NC[C@@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)n1 ZINC000371500145 148110727 /nfs/dbraw/zinc/11/07/27/148110727.db2.gz LOWYQDDVBJTFKE-HNNXBMFYSA-N 0 0 309.373 2.307 10 30 DEEERN N#Cc1cnccc1N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000372280786 148189216 /nfs/dbraw/zinc/18/92/16/148189216.db2.gz GCKRWMPJRSICEK-ZDUSSCGKSA-N 0 0 300.312 2.344 10 30 DEEERN CO[C@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328736093 286025698 /nfs/dbraw/zinc/02/56/98/286025698.db2.gz JKZNJGQKVYZQDJ-AVGNSLFASA-N 0 0 309.410 2.489 10 30 DEEERN Cc1oc(NC(=O)[C@H](C)N2CCO[C@H](C3CC3)C2)c(C#N)c1C ZINC000375334214 148359891 /nfs/dbraw/zinc/35/98/91/148359891.db2.gz RXKNHCCGNQSXKW-NHYWBVRUSA-N 0 0 317.389 2.206 10 30 DEEERN CC(=O)N1CC[C@@H](C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000408066222 148559637 /nfs/dbraw/zinc/55/96/37/148559637.db2.gz WBCYESMITREDDO-GOSISDBHSA-N 0 0 323.396 2.042 10 30 DEEERN CC(=O)NCc1ccc(C(=O)NC2(C#N)CCCCC2)s1 ZINC000127430310 401734764 /nfs/dbraw/zinc/73/47/64/401734764.db2.gz LFDMGLWZAVMIMB-UHFFFAOYSA-N 0 0 305.403 2.340 10 30 DEEERN N#Cc1cnc(Oc2ccc(I)nc2)cn1 ZINC000127044287 401717898 /nfs/dbraw/zinc/71/78/98/401717898.db2.gz KVVKJTFNTQZOTQ-UHFFFAOYSA-N 0 0 324.081 2.140 10 30 DEEERN C[C@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@H](C)S1 ZINC000128681025 401787584 /nfs/dbraw/zinc/78/75/84/401787584.db2.gz FQSVBUPRJDEZGX-STQMWFEESA-N 0 0 324.471 2.158 10 30 DEEERN C=C(C)COCCNC(=O)N(C)CCc1ccccc1OC ZINC000135040747 401925042 /nfs/dbraw/zinc/92/50/42/401925042.db2.gz AMOOKCSNNGZFLJ-UHFFFAOYSA-N 0 0 306.406 2.472 10 30 DEEERN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1Br ZINC000119234407 401934934 /nfs/dbraw/zinc/93/49/34/401934934.db2.gz LPUKDIMPJYPVJQ-WDEREUQCSA-N 0 0 309.207 2.238 10 30 DEEERN N#CC1(NC(=O)C[C@@H]2CCOc3ccccc32)CCOCC1 ZINC000117807084 401884954 /nfs/dbraw/zinc/88/49/54/401884954.db2.gz FCJGZMGATYINIU-ZDUSSCGKSA-N 0 0 300.358 2.132 10 30 DEEERN C[C@@H]1CN(C(=O)c2cc(C#N)cn2C)C[C@H](c2ccccc2)O1 ZINC000081714245 401897963 /nfs/dbraw/zinc/89/79/63/401897963.db2.gz HBHOBIIQJYBJKN-CXAGYDPISA-N 0 0 309.369 2.499 10 30 DEEERN CC(C)C[C@H](CNC(=O)c1cc(C#N)cs1)N1CCOCC1 ZINC000084179891 401902960 /nfs/dbraw/zinc/90/29/60/401902960.db2.gz XHAHLVYQNYTZIT-CQSZACIVSA-N 0 0 321.446 2.096 10 30 DEEERN CN(C)S(=O)(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091050037 401991374 /nfs/dbraw/zinc/99/13/74/401991374.db2.gz MCOVMPCDWIRCGQ-UHFFFAOYSA-N 0 0 315.398 2.121 10 30 DEEERN COCc1cc(NC(=O)N(CCC#N)Cc2ccco2)ncn1 ZINC000093318356 402013958 /nfs/dbraw/zinc/01/39/58/402013958.db2.gz GJPZXQFTYKCNBP-UHFFFAOYSA-N 0 0 315.333 2.164 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000053045949 402050274 /nfs/dbraw/zinc/05/02/74/402050274.db2.gz SNIGEINMERBLMK-BBRMVZONSA-N 0 0 322.364 2.445 10 30 DEEERN C=CCOc1ccc(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 ZINC000092676517 402007240 /nfs/dbraw/zinc/00/72/40/402007240.db2.gz ABZLHYNZCVZHJX-SJORKVTESA-N 0 0 300.402 2.494 10 30 DEEERN Cc1cccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000055277004 402078824 /nfs/dbraw/zinc/07/88/24/402078824.db2.gz CQRDGBQRPWSELV-UHFFFAOYSA-N 0 0 321.789 2.394 10 30 DEEERN N#Cc1cc(S(=O)(=O)NC[C@@H]2CCCS2)ccc1Cl ZINC000152301062 402088264 /nfs/dbraw/zinc/08/82/64/402088264.db2.gz SKLIDBRRQIOWLS-JTQLQIEISA-N 0 0 316.835 2.386 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCCCOC[C@@H]1CCCO1 ZINC000122753285 402093128 /nfs/dbraw/zinc/09/31/28/402093128.db2.gz CEMHFYAUSFJSTA-HNNXBMFYSA-N 0 0 302.374 2.182 10 30 DEEERN C=C(C)CNC(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C ZINC000152999424 402121516 /nfs/dbraw/zinc/12/15/16/402121516.db2.gz QRLULNZJJBWWIN-OAHLLOKOSA-N 0 0 304.390 2.142 10 30 DEEERN N#CCCN(CCC#N)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000123146650 402113330 /nfs/dbraw/zinc/11/33/30/402113330.db2.gz AHJYXZYORVITPJ-UHFFFAOYSA-N 0 0 322.777 2.030 10 30 DEEERN C#CC[NH+]1CCC(C(=O)Nc2cccc(-c3ncon3)c2)CC1 ZINC000101524988 402146004 /nfs/dbraw/zinc/14/60/04/402146004.db2.gz SUXQXAUWQUUUIE-UHFFFAOYSA-N 0 0 310.357 2.020 10 30 DEEERN N#Cc1nccn1CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000124039052 402160269 /nfs/dbraw/zinc/16/02/69/402160269.db2.gz SHYDJAUYPGZNEX-UHFFFAOYSA-N 0 0 301.306 2.142 10 30 DEEERN C#CCSCCNC(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000153691061 402163019 /nfs/dbraw/zinc/16/30/19/402163019.db2.gz ABABFJFACBHQLX-GFCCVEGCSA-N 0 0 322.430 2.430 10 30 DEEERN CN(CCC#N)C(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000104319979 402202761 /nfs/dbraw/zinc/20/27/61/402202761.db2.gz SFTUDWUKJCKHEO-CQSZACIVSA-N 0 0 300.362 2.055 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCCC(=O)OC(C)(C)C ZINC000124326346 402175189 /nfs/dbraw/zinc/17/51/89/402175189.db2.gz FMEUXJMWYQNOPM-GFCCVEGCSA-N 0 0 318.373 2.174 10 30 DEEERN N#Cc1cc(N[C@H]2CCCS(=O)(=O)C2)nc2ccccc12 ZINC000069144590 402214818 /nfs/dbraw/zinc/21/48/18/402214818.db2.gz GXYFOVZSUTUFCA-LBPRGKRZSA-N 0 0 301.371 2.096 10 30 DEEERN CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1CCCCO1 ZINC000106867194 402218540 /nfs/dbraw/zinc/21/85/40/402218540.db2.gz HRDYITHFKUSUSL-RDJZCZTQSA-N 0 0 309.454 2.322 10 30 DEEERN C=CCCOCCNC(=O)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000154656512 402224277 /nfs/dbraw/zinc/22/42/77/402224277.db2.gz KUCVGAZHUOLDFF-CYBMUJFWSA-N 0 0 320.389 2.041 10 30 DEEERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000108613385 402258643 /nfs/dbraw/zinc/25/86/43/402258643.db2.gz RZDGPOGLTSLHEY-CMPLNLGQSA-N 0 0 303.387 2.155 10 30 DEEERN N#C[C@H](NC(=O)c1cccc(OC[C@@H]2CCCO2)c1)C1CC1 ZINC000108829527 402262203 /nfs/dbraw/zinc/26/22/03/402262203.db2.gz OXIIORFENZSNPW-HOTGVXAUSA-N 0 0 300.358 2.276 10 30 DEEERN CC(C)NC(=O)Nc1ccc(C(=O)N[C@H](C#N)C2CC2)cc1 ZINC000108832728 402262471 /nfs/dbraw/zinc/26/24/71/402262471.db2.gz CTSOQWWBUQBYFF-CQSZACIVSA-N 0 0 300.362 2.248 10 30 DEEERN N#C[C@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C1CC1 ZINC000108835883 402262682 /nfs/dbraw/zinc/26/26/82/402262682.db2.gz VHMMBQSXXWPOEM-HOTGVXAUSA-N 0 0 300.358 2.276 10 30 DEEERN C[C@H](NS(=O)(=O)CCCCC#N)c1ccc2c(c1)OCO2 ZINC000068875538 402208115 /nfs/dbraw/zinc/20/81/15/402208115.db2.gz OSWZSHOBLXBPKM-NSHDSACASA-N 0 0 310.375 2.090 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCC(C(=O)NCCCOCC)CC1 ZINC000185062016 402321878 /nfs/dbraw/zinc/32/18/78/402321878.db2.gz IMYYPVUMIBIWKX-HNNXBMFYSA-N 0 0 324.465 2.370 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1 ZINC000184565609 402276672 /nfs/dbraw/zinc/27/66/72/402276672.db2.gz PKXCBGSAMSEZBQ-SWLSCSKDSA-N 0 0 319.405 2.273 10 30 DEEERN C#CCCCCNC(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000156304643 402279306 /nfs/dbraw/zinc/27/93/06/402279306.db2.gz UYONZPGYOYHUSA-UHFFFAOYSA-N 0 0 312.413 2.459 10 30 DEEERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)C#Cc3ccccc3)C2)n1 ZINC000176332503 402300498 /nfs/dbraw/zinc/30/04/98/402300498.db2.gz IURHDIAPNIIIRT-SFHVURJKSA-N 0 0 322.412 2.185 10 30 DEEERN N#Cc1cc(NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)ccc1F ZINC000176546661 402318428 /nfs/dbraw/zinc/31/84/28/402318428.db2.gz MQGMBIXSRAGWCX-LBPRGKRZSA-N 0 0 317.242 2.228 10 30 DEEERN COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)C1CCCC1 ZINC000185641502 402367109 /nfs/dbraw/zinc/36/71/09/402367109.db2.gz ZQMICPDOKUTHTG-NSHDSACASA-N 0 0 308.403 2.424 10 30 DEEERN Clc1ccc(C#CCN2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000177139827 402374349 /nfs/dbraw/zinc/37/43/49/402374349.db2.gz LBOZMONFMZJKET-QGZVFWFLSA-N 0 0 315.804 2.289 10 30 DEEERN C=C(C)CNC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000161194079 402377080 /nfs/dbraw/zinc/37/70/80/402377080.db2.gz ZYPQDGGAVWJUJH-GFCCVEGCSA-N 0 0 304.415 2.454 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000185847505 402382376 /nfs/dbraw/zinc/38/23/76/402382376.db2.gz APNPNIAGNSEQFJ-HNNXBMFYSA-N 0 0 318.417 2.016 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCC(=O)c1ccc(OCC)cc1 ZINC000185866376 402384275 /nfs/dbraw/zinc/38/42/75/402384275.db2.gz UTOCNYOPNBRGNN-AWEZNQCLSA-N 0 0 305.374 2.101 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000185870869 402384715 /nfs/dbraw/zinc/38/47/15/402384715.db2.gz YEBZWAUMTAZFDP-SNVBAGLBSA-N 0 0 318.251 2.280 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000185885520 402385812 /nfs/dbraw/zinc/38/58/12/402385812.db2.gz VCCODZXRJFORSE-GFCCVEGCSA-N 0 0 305.765 2.193 10 30 DEEERN C=CCN(CC=C)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000161398216 402386294 /nfs/dbraw/zinc/38/62/94/402386294.db2.gz HBOAJWMMGMXEEE-ZDUSSCGKSA-N 0 0 303.410 2.100 10 30 DEEERN COC(=O)[C@H](N[C@@H]1COc2ccccc21)c1cccc(C#N)c1 ZINC000176744460 402332521 /nfs/dbraw/zinc/33/25/21/402332521.db2.gz SVYHZUHHNNYJSO-NVXWUHKLSA-N 0 0 308.337 2.496 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000161404912 402386602 /nfs/dbraw/zinc/38/66/02/402386602.db2.gz QEVTXVQAQPTXRX-GFCCVEGCSA-N 0 0 304.346 2.461 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1cccnc1-n1cncn1 ZINC000163442545 402449666 /nfs/dbraw/zinc/44/96/66/402449666.db2.gz PIGDJAAYGJNNGU-UHFFFAOYSA-N 0 0 304.313 2.095 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1nc2ccc(OC)cc2s1 ZINC000186352750 402423654 /nfs/dbraw/zinc/42/36/54/402423654.db2.gz BJMVAOUHRAKOQT-SECBINFHSA-N 0 0 307.375 2.363 10 30 DEEERN C=CCOc1ccccc1C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000177680040 402426176 /nfs/dbraw/zinc/42/61/76/402426176.db2.gz QNSPFHWSRGFHRU-AWEZNQCLSA-N 0 0 312.373 2.416 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCCN(c2ccccn2)CC1 ZINC000186397262 402428032 /nfs/dbraw/zinc/42/80/32/402428032.db2.gz BFFYNNNZGGKZHY-HNNXBMFYSA-N 0 0 303.406 2.102 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C[C@@H](C)CS(C)(=O)=O ZINC000163183044 402444028 /nfs/dbraw/zinc/44/40/28/402444028.db2.gz OKNOUZCRNHRNFD-CQSZACIVSA-N 0 0 306.431 2.227 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000185926888 402389901 /nfs/dbraw/zinc/38/99/01/402389901.db2.gz PKOSXXDZRIIEOK-WDEREUQCSA-N 0 0 318.381 2.270 10 30 DEEERN C#C[C@H](C)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000185974002 402394056 /nfs/dbraw/zinc/39/40/56/402394056.db2.gz JPSBBGRTDUSRGB-TUKIKUTGSA-N 0 0 305.809 2.406 10 30 DEEERN CO[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[C@H]1C ZINC000187759869 402510773 /nfs/dbraw/zinc/51/07/73/402510773.db2.gz GCNUVZDHNURLJW-CZUORRHYSA-N 0 0 302.374 2.015 10 30 DEEERN N#Cc1ccc(C2(C(=O)NCc3cccc(C(N)=O)c3)CC2)cc1 ZINC000187777299 402511380 /nfs/dbraw/zinc/51/13/80/402511380.db2.gz XIOWQECCSJSMKR-UHFFFAOYSA-N 0 0 319.364 2.005 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000186668000 402453620 /nfs/dbraw/zinc/45/36/20/402453620.db2.gz GCMJHKMGSPTRMK-MRVPVSSYSA-N 0 0 310.202 2.209 10 30 DEEERN Cc1[nH]c(=O)c(C(=O)NC2(C#N)CCCC2)cc1Br ZINC000164222255 402460880 /nfs/dbraw/zinc/46/08/80/402460880.db2.gz ZKAHLXGZFZHUIJ-UHFFFAOYSA-N 0 0 324.178 2.424 10 30 DEEERN C=CCCOCCNC(=O)Nc1ccc(-c2ncon2)cc1 ZINC000179039938 402567282 /nfs/dbraw/zinc/56/72/82/402567282.db2.gz JFQBEVUEWVGTPX-UHFFFAOYSA-N 0 0 302.334 2.451 10 30 DEEERN CC[C@H](O)CN(CC(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 ZINC000170715652 402516538 /nfs/dbraw/zinc/51/65/38/402516538.db2.gz UVROOZISVIXEGE-RDJZCZTQSA-N 0 0 317.433 2.272 10 30 DEEERN N#Cc1csc(C(=O)N2Cc3cnnn3Cc3ccccc32)c1 ZINC000189009806 402530181 /nfs/dbraw/zinc/53/01/81/402530181.db2.gz FMGRYWBZMPSQSD-UHFFFAOYSA-N 0 0 321.365 2.420 10 30 DEEERN C=CC1CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000171837465 402627412 /nfs/dbraw/zinc/62/74/12/402627412.db2.gz DOXLHXABWANCIB-HNNXBMFYSA-N 0 0 315.421 2.053 10 30 DEEERN C[C@](C#N)(NC(=O)CN1CCc2[nH]c3ccccc3c2C1)C1CC1 ZINC000171619750 402602139 /nfs/dbraw/zinc/60/21/39/402602139.db2.gz URHQCKHAEJHGPO-LJQANCHMSA-N 0 0 322.412 2.334 10 30 DEEERN C=CCOc1cccc(CN2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000180108531 402607678 /nfs/dbraw/zinc/60/76/78/402607678.db2.gz NLBJTDCGSPXQGY-INIZCTEOSA-N 0 0 314.389 2.251 10 30 DEEERN COc1ccc(-n2nc(C(=O)N[C@H](C#N)C3CC3)cc2C)cc1 ZINC000180200263 402609661 /nfs/dbraw/zinc/60/96/61/402609661.db2.gz QGSWCWGQLUBZJB-MRXNPFEDSA-N 0 0 310.357 2.221 10 30 DEEERN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@H](C#N)C2CC2)c1 ZINC000249109677 402620618 /nfs/dbraw/zinc/62/06/18/402620618.db2.gz XRXIXCDURLJRQT-AEGPPILISA-N 0 0 300.358 2.226 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000181864195 402658772 /nfs/dbraw/zinc/65/87/72/402658772.db2.gz YOQAIVYTKLQOHS-ZDUSSCGKSA-N 0 0 315.373 2.341 10 30 DEEERN C[C@H]1CC(O)C[C@H](C)N1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000191187705 402649378 /nfs/dbraw/zinc/64/93/78/402649378.db2.gz DTKXAAPLRLCMLM-RYUDHWBXSA-N 0 0 312.373 2.342 10 30 DEEERN CO[C@@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[C@H]1C ZINC000251842132 402650003 /nfs/dbraw/zinc/65/00/03/402650003.db2.gz MUKASRIMPFDKBW-IXPVHAAZSA-N 0 0 319.405 2.452 10 30 DEEERN N#Cc1ccccc1/C=C/C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000172397883 402653743 /nfs/dbraw/zinc/65/37/43/402653743.db2.gz JOBLLMRHENTGSH-MVGZEHJDSA-N 0 0 321.384 2.102 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000182844445 402721044 /nfs/dbraw/zinc/72/10/44/402721044.db2.gz FKZQUBIBKHQWJP-GOEBONIOSA-N 0 0 304.390 2.383 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2ccc3nccn3c2)cc1 ZINC000173902888 402718317 /nfs/dbraw/zinc/71/83/17/402718317.db2.gz IGHJXYMUPNLVEU-UHFFFAOYSA-N 0 0 306.325 2.015 10 30 DEEERN CCc1nn(C[C@H](O)C2CCCCC2)c(=O)c(C#N)c1CC ZINC000191343095 402662729 /nfs/dbraw/zinc/66/27/29/402662729.db2.gz IHKZFRQEFLHGQZ-INIZCTEOSA-N 0 0 303.406 2.181 10 30 DEEERN CCNC(=O)C(C)(C)CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182164493 402669746 /nfs/dbraw/zinc/66/97/46/402669746.db2.gz LEQPADTXOSTKKT-UHFFFAOYSA-N 0 0 313.401 2.134 10 30 DEEERN Cc1ccc(S(=O)(=O)NN=Cc2ccc(O)c(O)c2)c(C)c1 ZINC000254398770 402670678 /nfs/dbraw/zinc/67/06/78/402670678.db2.gz CMVUUFJKLOOALJ-UHFFFAOYSA-N 0 0 320.370 2.027 10 30 DEEERN COCCCN1C(=O)CSC1=Nc1ccc2c(c1)OCCO2 ZINC000254495707 402670856 /nfs/dbraw/zinc/67/08/56/402670856.db2.gz OFINLWLJNHFFPS-UHFFFAOYSA-N 0 0 322.386 2.057 10 30 DEEERN CCCNC(=O)c1c(N=Cc2cccc(OC)c2O)cnn1C ZINC000254825391 402671699 /nfs/dbraw/zinc/67/16/99/402671699.db2.gz YIGIHSVATFGWOB-UHFFFAOYSA-N 0 0 316.361 2.025 10 30 DEEERN CNC(=O)[C@H](NCc1cc(C#N)ccc1Br)C(C)C ZINC000191821157 402694660 /nfs/dbraw/zinc/69/46/60/402694660.db2.gz ASRXVGGLELPWNC-CYBMUJFWSA-N 0 0 324.222 2.181 10 30 DEEERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cccc(CC#N)c1 ZINC000173455785 402698500 /nfs/dbraw/zinc/69/85/00/402698500.db2.gz XGMAFMZQCRQCKH-GFCCVEGCSA-N 0 0 310.401 2.464 10 30 DEEERN CC(C)c1cc(C(=O)NCCOc2ccc(C#N)cc2)n(C)n1 ZINC000173475030 402698816 /nfs/dbraw/zinc/69/88/16/402698816.db2.gz WPSBZUMSENNUJY-UHFFFAOYSA-N 0 0 312.373 2.224 10 30 DEEERN N#Cc1nn(-c2ccc(F)cc2)nc1N1CCCC[C@@H]1CCO ZINC000256045912 402699590 /nfs/dbraw/zinc/69/95/90/402699590.db2.gz BQFFGQYFKOFBTE-CYBMUJFWSA-N 0 0 315.352 2.019 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2cc(F)cc3[nH]cnc32)cc1 ZINC000174155589 402729083 /nfs/dbraw/zinc/72/90/83/402729083.db2.gz UYYHAJNUBHYCQT-UHFFFAOYSA-N 0 0 324.315 2.382 10 30 DEEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1SC(C)C ZINC000183201955 402746821 /nfs/dbraw/zinc/74/68/21/402746821.db2.gz FAJAEUUMXZUEJW-GFCCVEGCSA-N 0 0 322.430 2.179 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1cccc(OCC(F)F)c1 ZINC000183295956 402754118 /nfs/dbraw/zinc/75/41/18/402754118.db2.gz WOEOHFKNQBRTHX-GFCCVEGCSA-N 0 0 314.332 2.067 10 30 DEEERN Cc1nn(C)c(C)c1CN1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000174850009 402760236 /nfs/dbraw/zinc/76/02/36/402760236.db2.gz GOLXDEPIPJXOCK-UHFFFAOYSA-N 0 0 317.481 2.485 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000183554587 402775657 /nfs/dbraw/zinc/77/56/57/402775657.db2.gz GHCPATWKGZKXTK-AWEZNQCLSA-N 0 0 303.362 2.094 10 30 DEEERN Cc1cc(C)c(C#N)c(N2CCN(c3cccs3)C(=O)C2)n1 ZINC000184136204 402821236 /nfs/dbraw/zinc/82/12/36/402821236.db2.gz DIGGOEGGTMBRFY-UHFFFAOYSA-N 0 0 312.398 2.485 10 30 DEEERN COCc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)o1 ZINC000184280316 402832517 /nfs/dbraw/zinc/83/25/17/402832517.db2.gz YARBADYUSBTXAZ-UHFFFAOYSA-N 0 0 323.312 2.131 10 30 DEEERN CC(C)c1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)n[nH]1 ZINC000184280003 402832683 /nfs/dbraw/zinc/83/26/83/402832683.db2.gz NBFIESWWNZPLJD-UHFFFAOYSA-N 0 0 321.344 2.238 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(C)cc1OCCOC ZINC000184297582 402833701 /nfs/dbraw/zinc/83/37/01/402833701.db2.gz HJGBCWLQJMLMDY-ZDUSSCGKSA-N 0 0 308.378 2.079 10 30 DEEERN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)CSCC#N ZINC000183631148 402783787 /nfs/dbraw/zinc/78/37/87/402783787.db2.gz YANHQMBYCRLZLF-CQSZACIVSA-N 0 0 303.431 2.371 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@H](CC)Oc1ccccc1C ZINC000183660693 402786440 /nfs/dbraw/zinc/78/64/40/402786440.db2.gz DBLCNLHRHPMDRY-GJZGRUSLSA-N 0 0 306.406 2.389 10 30 DEEERN CSC[C@@H](C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183676398 402787892 /nfs/dbraw/zinc/78/78/92/402787892.db2.gz DSPKCIBWQZDLGN-SNVBAGLBSA-N 0 0 301.375 2.077 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000273282329 402990863 /nfs/dbraw/zinc/99/08/63/402990863.db2.gz APFYREXPWKOCKW-AWEZNQCLSA-N 0 0 319.405 2.273 10 30 DEEERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCSC[C@H]1C#N ZINC000273293423 402991591 /nfs/dbraw/zinc/99/15/91/402991591.db2.gz PYLQRJNGYVBUKG-BMGYJQCNSA-N 0 0 317.370 2.466 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000273480008 403008433 /nfs/dbraw/zinc/00/84/33/403008433.db2.gz LUWPTBOZTKOLNY-CYBMUJFWSA-N 0 0 302.399 2.406 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000280966930 403055103 /nfs/dbraw/zinc/05/51/03/403055103.db2.gz KNLSMOHKTZDYHP-ZIAGYGMSSA-N 0 0 303.410 2.099 10 30 DEEERN C=CCCCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000274446616 403056145 /nfs/dbraw/zinc/05/61/45/403056145.db2.gz GDDQFOGZZIBCLW-HOCLYGCPSA-N 0 0 301.390 2.074 10 30 DEEERN C=C1CCN(c2nnc([C@H]3COCCO3)n2CC(C)C)CC1 ZINC000282828050 403160876 /nfs/dbraw/zinc/16/08/76/403160876.db2.gz BONKMCJESSNKBG-CQSZACIVSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CCC(CC(N)=O)CC1 ZINC000282633726 403157572 /nfs/dbraw/zinc/15/75/72/403157572.db2.gz PEEDANUDYFHJOP-UHFFFAOYSA-N 0 0 319.453 2.145 10 30 DEEERN C=CCCN(C)C(=O)c1cnn2cc(Br)cnc12 ZINC000276459160 403177310 /nfs/dbraw/zinc/17/73/10/403177310.db2.gz VPSPAJNSYOHODR-UHFFFAOYSA-N 0 0 309.167 2.140 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC000283205504 403180425 /nfs/dbraw/zinc/18/04/25/403180425.db2.gz HZIIYMDHAUWABP-CQSZACIVSA-N 0 0 319.453 2.145 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCCN(C)c1ccccc1 ZINC000283260059 403184713 /nfs/dbraw/zinc/18/47/13/403184713.db2.gz BSVWRRRMTKYYSR-UHFFFAOYSA-N 0 0 317.433 2.054 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N(C)C[C@@H](C)C(=O)NC ZINC000283450012 403198601 /nfs/dbraw/zinc/19/86/01/403198601.db2.gz ZLNNCQQQDPRRKQ-CQSZACIVSA-N 0 0 321.469 2.261 10 30 DEEERN CC(C)N1C(=O)N[C@@H]2CN(c3cccc(F)c3C#N)CC[C@@H]21 ZINC000284539591 403269339 /nfs/dbraw/zinc/26/93/39/403269339.db2.gz KNYTZBAUKBFLGK-HIFRSBDPSA-N 0 0 302.353 2.078 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000285634080 403344575 /nfs/dbraw/zinc/34/45/75/403344575.db2.gz KYRREITYADASGA-YQQAZPJKSA-N 0 0 300.402 2.440 10 30 DEEERN C=C(CNC(=O)CCCCCCS(N)(=O)=O)c1ccccc1 ZINC000298318172 403357183 /nfs/dbraw/zinc/35/71/83/403357183.db2.gz JRYFXPRKSCGSRY-UHFFFAOYSA-N 0 0 324.446 2.055 10 30 DEEERN C#CCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H](CO)C2)cc1 ZINC000298183037 403326016 /nfs/dbraw/zinc/32/60/16/403326016.db2.gz DULKACZWRCSRIF-GDBMZVCRSA-N 0 0 301.386 2.370 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@H](C)c1nnc2n1CCCCC2 ZINC000345633489 403413311 /nfs/dbraw/zinc/41/33/11/403413311.db2.gz NCUNWHHYFIFNOW-CHWSQXEVSA-N 0 0 306.410 2.163 10 30 DEEERN C=CCc1cc(CNC(=O)Cc2ccon2)cc(OC)c1OC ZINC000345748578 403468084 /nfs/dbraw/zinc/46/80/84/403468084.db2.gz ZBGPRQNVQKJVDG-UHFFFAOYSA-N 0 0 316.357 2.279 10 30 DEEERN C#CCCOc1ccc(C(=O)NCc2ncnn2C(C)C)cc1 ZINC000298887251 403480911 /nfs/dbraw/zinc/48/09/11/403480911.db2.gz IKUAGPWMERZMIQ-UHFFFAOYSA-N 0 0 312.373 2.191 10 30 DEEERN C=CCCN(C)C(=O)C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000286702888 403544238 /nfs/dbraw/zinc/54/42/38/403544238.db2.gz DGGRIMFHIHSHLK-UHFFFAOYSA-N 0 0 313.401 2.170 10 30 DEEERN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(C#N)oc1C ZINC000286906735 403548508 /nfs/dbraw/zinc/54/85/08/403548508.db2.gz PKGBNKZGWFHRKO-FVQBIDKESA-N 0 0 318.373 2.116 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1cn(CCCCC)nc1C ZINC000346324206 403584572 /nfs/dbraw/zinc/58/45/72/403584572.db2.gz WFCVIHVHQHREOT-HNNXBMFYSA-N 0 0 308.426 2.118 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CNC(=O)CCC(C)C ZINC000287323603 403575172 /nfs/dbraw/zinc/57/51/72/403575172.db2.gz NWKFWKPATIGKJD-QGZVFWFLSA-N 0 0 314.429 2.290 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCOC1 ZINC000287481725 403608482 /nfs/dbraw/zinc/60/84/82/403608482.db2.gz SHTZUKYHNNDAON-IRXDYDNUSA-N 0 0 300.402 2.299 10 30 DEEERN N#Cc1ccc(C(F)(F)F)nc1N1CCCC[C@@H]1CC(N)=O ZINC000301884153 403696818 /nfs/dbraw/zinc/69/68/18/403696818.db2.gz YNJGOEWAFSAPEY-SNVBAGLBSA-N 0 0 312.295 2.206 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](CC)CCO ZINC000288121019 403729271 /nfs/dbraw/zinc/72/92/71/403729271.db2.gz KBJVUWLRSGBQEG-DOTOQJQBSA-N 0 0 302.418 2.329 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1nnc(C)[nH]1 ZINC000288134349 403731521 /nfs/dbraw/zinc/73/15/21/403731521.db2.gz LBCPDJVKICRVHV-IUODEOHRSA-N 0 0 311.389 2.108 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](C)C[C@H](C)O ZINC000288299352 403745161 /nfs/dbraw/zinc/74/51/61/403745161.db2.gz WHAPCTHXQNVFGJ-HLLBOEOZSA-N 0 0 302.418 2.327 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NO[C@@H]1CCCCO1 ZINC000288574847 403758707 /nfs/dbraw/zinc/75/87/07/403758707.db2.gz GFUDCFJNZIHIDU-JKSUJKDBSA-N 0 0 302.374 2.378 10 30 DEEERN C#C[C@H](NC(=O)NCc1cccnc1-n1ccnc1)C(C)(C)C ZINC000288612009 403759735 /nfs/dbraw/zinc/75/97/35/403759735.db2.gz NOIRKDCSWQPMKF-AWEZNQCLSA-N 0 0 311.389 2.114 10 30 DEEERN C=CCOc1ccccc1-c1nc(CC(=O)N2CCCC2)no1 ZINC000288984033 403804296 /nfs/dbraw/zinc/80/42/96/403804296.db2.gz CHVFXHXRRAPXMA-UHFFFAOYSA-N 0 0 313.357 2.466 10 30 DEEERN N#Cc1ccnc(C(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)c1 ZINC000289281121 403894713 /nfs/dbraw/zinc/89/47/13/403894713.db2.gz SRELMKNKPLDVKV-ZDUSSCGKSA-N 0 0 323.356 2.233 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@H](CC)[C@@H](O)C(F)F)cc1 ZINC000295404967 403905944 /nfs/dbraw/zinc/90/59/44/403905944.db2.gz HICMOFKSKXCUIS-UKRRQHHQSA-N 0 0 313.344 2.315 10 30 DEEERN C#CCSCCNC(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000362335428 403943612 /nfs/dbraw/zinc/94/36/12/403943612.db2.gz LAHZWYAUAOKBHO-HZPDHXFCSA-N 0 0 318.442 2.430 10 30 DEEERN C=C[C@H](C)NC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000362381329 403949179 /nfs/dbraw/zinc/94/91/79/403949179.db2.gz XDNBPOCRERQTRJ-KBPBESRZSA-N 0 0 303.406 2.395 10 30 DEEERN C#Cc1ccc(CNC(=O)CCS(=O)(=O)C2CCCC2)cc1 ZINC000295545652 403983786 /nfs/dbraw/zinc/98/37/86/403983786.db2.gz SLOIXOOAOCGNAB-UHFFFAOYSA-N 0 0 319.426 2.032 10 30 DEEERN C#Cc1ccc(CNC(=O)[C@H](C)NC(=O)CC(C)(C)C)cc1 ZINC000295550830 403985347 /nfs/dbraw/zinc/98/53/47/403985347.db2.gz SUCDRLOAQOVBAI-ZDUSSCGKSA-N 0 0 300.402 2.225 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000362797714 403989280 /nfs/dbraw/zinc/98/92/80/403989280.db2.gz MKYULTHITUQBMN-BBRMVZONSA-N 0 0 303.358 2.355 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(OC)c(Br)c1 ZINC000316447404 404026036 /nfs/dbraw/zinc/02/60/36/404026036.db2.gz QIEYJNZTSAACMP-JTQLQIEISA-N 0 0 314.179 2.125 10 30 DEEERN C=CCNC(=O)Nc1ccc(NC(=O)Cc2ccon2)cc1 ZINC000344366415 404086089 /nfs/dbraw/zinc/08/60/89/404086089.db2.gz MDPXIHXZACKSGL-UHFFFAOYSA-N 0 0 300.318 2.163 10 30 DEEERN CC[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc(C)nc32)C[C@@H](C)O1 ZINC000328651476 404124830 /nfs/dbraw/zinc/12/48/30/404124830.db2.gz JVFFVYPMLKKORW-QLFBSQMISA-N 0 0 320.437 2.482 10 30 DEEERN C=C(C)COCCN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000348988951 404115404 /nfs/dbraw/zinc/11/54/04/404115404.db2.gz BZGXKXMXYGBTGY-MRXNPFEDSA-N 0 0 306.337 2.185 10 30 DEEERN CC(=O)N(C[C@@H]1CCCN1C(=O)Nc1cccc(C)n1)C1CC1 ZINC000328626301 404116329 /nfs/dbraw/zinc/11/63/29/404116329.db2.gz DZYKJNDSUDJMEN-HNNXBMFYSA-N 0 0 316.405 2.411 10 30 DEEERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](C)c2cccnc2)C1 ZINC000328623227 404117283 /nfs/dbraw/zinc/11/72/83/404117283.db2.gz BTDFKAKHVPRVSG-XGNXJENSSA-N 0 0 305.378 2.079 10 30 DEEERN CS[C@@H]1CCC[C@@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000363227084 404122060 /nfs/dbraw/zinc/12/20/60/404122060.db2.gz CXHMBYJDDKOUTQ-BPLDGKMQSA-N 0 0 322.478 2.042 10 30 DEEERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)C[C@H]2CCCCO2)C1 ZINC000328648791 404125547 /nfs/dbraw/zinc/12/55/47/404125547.db2.gz USMRMWHDHLWPTI-YMAMQOFZSA-N 0 0 324.421 2.230 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@H]1CCCCNC1=O)CCC2 ZINC000328663445 404126903 /nfs/dbraw/zinc/12/69/03/404126903.db2.gz XXZGDCFDMKJHJT-STQMWFEESA-N 0 0 319.409 2.082 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N1C[C@H](C)O[C@@H](C)C1)CCC2 ZINC000328716439 404136792 /nfs/dbraw/zinc/13/67/92/404136792.db2.gz OVKUBKWLFOYCOM-IHRRRGAJSA-N 0 0 306.410 2.092 10 30 DEEERN C=CCCCNC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000344473899 404166018 /nfs/dbraw/zinc/16/60/18/404166018.db2.gz DNHDLYGCWQBZMM-MRXNPFEDSA-N 0 0 304.390 2.345 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)Cc1ccc2ccccc2c1 ZINC000349586041 404170597 /nfs/dbraw/zinc/17/05/97/404170597.db2.gz VJPPOJQCLAEAJZ-INIZCTEOSA-N 0 0 305.399 2.196 10 30 DEEERN Cc1nc([NH+]=C([O-])N2CCC[C@H]2Cn2ccnn2)sc1C ZINC000328894082 404171155 /nfs/dbraw/zinc/17/11/55/404171155.db2.gz AOKBHDHEJLPJDO-NSHDSACASA-N 0 0 306.395 2.062 10 30 DEEERN C[C@H](C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1)N1CCSCC1 ZINC000328917273 404175496 /nfs/dbraw/zinc/17/54/96/404175496.db2.gz RRUNSPFKPLIVRL-MPKXVKKWSA-N 0 0 311.451 2.278 10 30 DEEERN C#CCCNC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000363536725 404176063 /nfs/dbraw/zinc/17/60/63/404176063.db2.gz QSQREZNLVGJGAC-GFCCVEGCSA-N 0 0 307.344 2.114 10 30 DEEERN CS[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H]2Cn2ccnn2)C1 ZINC000329077313 404223487 /nfs/dbraw/zinc/22/34/87/404223487.db2.gz CMMHXGJCCDJLIM-MELADBBJSA-N 0 0 323.466 2.331 10 30 DEEERN Cc1c(NC(=O)N2CCN(C3CC3)CC2)cnn1CC(C)C ZINC000329125598 404237872 /nfs/dbraw/zinc/23/78/72/404237872.db2.gz MJBKHRUAEQTEGO-UHFFFAOYSA-N 0 0 305.426 2.173 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@]2(F)c2ccccc2)C1=O ZINC000412312535 404241883 /nfs/dbraw/zinc/24/18/83/404241883.db2.gz HKJZOTIBKOMSOF-MPGHIAIKSA-N 0 0 316.376 2.117 10 30 DEEERN C#Cc1ccc(CNC(=O)[C@H](CCCC)NC(=O)NCC)cc1 ZINC000296481186 404269810 /nfs/dbraw/zinc/26/98/10/404269810.db2.gz RIAYDZFBPLBUBQ-INIZCTEOSA-N 0 0 315.417 2.162 10 30 DEEERN N#Cc1cc(Br)cnc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000296489070 404271781 /nfs/dbraw/zinc/27/17/81/404271781.db2.gz KZDRKPSNBHBJRP-LBPRGKRZSA-N 0 0 307.195 2.000 10 30 DEEERN C=CCNc1ncc(C(=O)NCCc2ncccc2C)s1 ZINC000296495083 404274600 /nfs/dbraw/zinc/27/46/00/404274600.db2.gz SNRHLQPQTSXHDJ-UHFFFAOYSA-N 0 0 302.403 2.417 10 30 DEEERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCCC(=O)N1 ZINC000329445112 404339223 /nfs/dbraw/zinc/33/92/23/404339223.db2.gz KTJCCASMSMQZMA-IJLUTSLNSA-N 0 0 316.423 2.198 10 30 DEEERN Cc1ccc2c(O)c(C(=O)N[C@H]3CCCNC3=O)cnc2n1 ZINC000329390767 404323009 /nfs/dbraw/zinc/32/30/09/404323009.db2.gz VCGJWOLUQPRZBD-NSHDSACASA-N 0 0 300.318 2.067 10 30 DEEERN N#Cc1ccnc(N2CCC[C@H](c3ncc4n3CCCC4)C2)n1 ZINC000296896754 404363520 /nfs/dbraw/zinc/36/35/20/404363520.db2.gz YQENZIMVHHLWRV-ZDUSSCGKSA-N 0 0 308.389 2.265 10 30 DEEERN C[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)c1nc(C(C)(C)C)no1 ZINC000329515915 404364055 /nfs/dbraw/zinc/36/40/55/404364055.db2.gz MKRAKRALFBCIMJ-FIQHERPVSA-N 0 0 323.393 2.436 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000352434422 404368356 /nfs/dbraw/zinc/36/83/56/404368356.db2.gz VZUWNNJXZSSWLP-KBXCAEBGSA-N 0 0 324.465 2.369 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ncc(C2CCOCC2)s1 ZINC000296922437 404373974 /nfs/dbraw/zinc/37/39/74/404373974.db2.gz BWVHVUUHTMFZIW-LLVKDONJSA-N 0 0 311.407 2.096 10 30 DEEERN CN(CC(=O)NC1CCCCCC1)C[C@H]1CCS(=O)(=O)C1 ZINC000329606055 404391062 /nfs/dbraw/zinc/39/10/62/404391062.db2.gz ZPRUTZQIDOKNOR-CYBMUJFWSA-N 0 0 316.467 2.032 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000291569887 404431190 /nfs/dbraw/zinc/43/11/90/404431190.db2.gz XVOXHEMALVQLOX-CQSZACIVSA-N 0 0 315.417 2.159 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N1CCCO[C@@H](C)C1 ZINC000351070530 404509942 /nfs/dbraw/zinc/50/99/42/404509942.db2.gz AYJYICRZOBADRL-AWEZNQCLSA-N 0 0 316.405 2.458 10 30 DEEERN CN(C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccc(F)cc1 ZINC000372746276 404510805 /nfs/dbraw/zinc/51/08/05/404510805.db2.gz VZDODIBQZHMFJD-HNNXBMFYSA-N 0 0 302.353 2.054 10 30 DEEERN CC(=O)N/C(=C\c1ccccc1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000297075236 404439866 /nfs/dbraw/zinc/43/98/66/404439866.db2.gz YALSLEUJINIXQY-XDLJQUMRSA-N 0 0 311.385 2.362 10 30 DEEERN N#Cc1cc(S(=O)(=O)NCCC2(F)CCC2)ccc1F ZINC000344910913 404442187 /nfs/dbraw/zinc/44/21/87/404442187.db2.gz FBBUDNCIHHFIGR-UHFFFAOYSA-N 0 0 300.330 2.258 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC000413982456 404465708 /nfs/dbraw/zinc/46/57/08/404465708.db2.gz GEEPJVSYYGZGPZ-YJBOKZPZSA-N 0 0 300.402 2.206 10 30 DEEERN Cc1nn(C)cc1CNC(=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330106032 404553519 /nfs/dbraw/zinc/55/35/19/404553519.db2.gz KHENLTRQVCKEQE-LSDHHAIUSA-N 0 0 300.362 2.358 10 30 DEEERN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCO[C@H](C2CC2)C1 ZINC000330127905 404560165 /nfs/dbraw/zinc/56/01/65/404560165.db2.gz JFWAYOMACIKRMH-JSGCOSHPSA-N 0 0 306.410 2.124 10 30 DEEERN C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@@H](C)O1 ZINC000356516366 404567931 /nfs/dbraw/zinc/56/79/31/404567931.db2.gz VEVJZPRYDYLSLE-NXEZZACHSA-N 0 0 314.794 2.010 10 30 DEEERN C=CCn1c(COCC)nnc1N1CCO[C@H](C2CCC2)C1 ZINC000414516328 404664611 /nfs/dbraw/zinc/66/46/11/404664611.db2.gz ORSYDSKORDZLNB-AWEZNQCLSA-N 0 0 306.410 2.006 10 30 DEEERN C=CCN1C(=O)N([C@H]2CCCOC2)C(=O)[C@H]1Cc1ccccc1 ZINC000345265100 404645998 /nfs/dbraw/zinc/64/59/98/404645998.db2.gz LUSLZXMWBGGROA-JKSUJKDBSA-N 0 0 314.385 2.227 10 30 DEEERN COC(=O)C12CCC(C(=O)N3CCC(C)(C#N)CC3)(CC1)C2 ZINC000365294530 404603255 /nfs/dbraw/zinc/60/32/55/404603255.db2.gz XORDSVBAOZUKGJ-UHFFFAOYSA-N 0 0 304.390 2.262 10 30 DEEERN O=C(NC[C@@H]1CCC(F)(F)C1)N1CCc2cc[nH]c(=O)c2C1 ZINC000330290745 404616389 /nfs/dbraw/zinc/61/63/89/404616389.db2.gz GCAPNWAJZFFIIZ-SNVBAGLBSA-N 0 0 311.332 2.495 10 30 DEEERN C=CC[C@@H]1N(C(=O)C(=O)NCc2cscn2)CCCC1(C)C ZINC000357881854 404747736 /nfs/dbraw/zinc/74/77/36/404747736.db2.gz PFFIGKASHUQHLN-ZDUSSCGKSA-N 0 0 321.446 2.353 10 30 DEEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1csc(-c2ccccn2)n1 ZINC000358384503 404760904 /nfs/dbraw/zinc/76/09/04/404760904.db2.gz YRMWTGMRDKTYHF-SNVBAGLBSA-N 0 0 316.386 2.224 10 30 DEEERN CCO[C@H]1C[C@@H](NC(=O)c2cccc(C#N)c2)C12CCOCC2 ZINC000187079981 286486535 /nfs/dbraw/zinc/48/65/35/286486535.db2.gz NCNAAZBUYCXRNV-CVEARBPZSA-N 0 0 314.385 2.262 10 30 DEEERN C=C(C)Cn1c(N2C[C@H](C(N)=O)CC[C@H]2C)nnc1C(C)(C)C ZINC000358801288 404776296 /nfs/dbraw/zinc/77/62/96/404776296.db2.gz CHHBKZPOECPRNS-CHWSQXEVSA-N 0 0 319.453 2.242 10 30 DEEERN C=CCN(CCC#N)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000359404934 404792919 /nfs/dbraw/zinc/79/29/19/404792919.db2.gz TXDCQLAHKSNHRS-UHFFFAOYSA-N 0 0 309.272 2.344 10 30 DEEERN CO[C@](C)(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1CC1 ZINC000360744231 404836961 /nfs/dbraw/zinc/83/69/61/404836961.db2.gz IUWKOOVFTONVAN-DLBZAZTESA-N 0 0 324.421 2.179 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1CCS(C)(=O)=O ZINC000359516395 404795051 /nfs/dbraw/zinc/79/50/51/404795051.db2.gz RCKZDXCLIYJUAL-KBPBESRZSA-N 0 0 301.452 2.405 10 30 DEEERN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)[C@@H](C)C#N ZINC000360334949 404825814 /nfs/dbraw/zinc/82/58/14/404825814.db2.gz FKJWPQBYQNMVBN-KBXCAEBGSA-N 0 0 314.385 2.313 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000377963421 404853936 /nfs/dbraw/zinc/85/39/36/404853936.db2.gz DGKNQLACJMJPEU-SFHVURJKSA-N 0 0 306.409 2.313 10 30 DEEERN CC(=O)N[C@@H](CC(=O)Nc1cc(C#N)ccn1)c1ccc(C)cc1 ZINC000435995799 405034405 /nfs/dbraw/zinc/03/44/05/405034405.db2.gz RNNSSZDOALQXOT-INIZCTEOSA-N 0 0 322.368 2.468 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000416399674 405130716 /nfs/dbraw/zinc/13/07/16/405130716.db2.gz IDASAQCSLWYHNU-UHFFFAOYSA-N 0 0 307.366 2.253 10 30 DEEERN Cc1nsc(N2CCC[C@@H](C(=O)N3CCCC3)C2)c1C#N ZINC000408106369 405113908 /nfs/dbraw/zinc/11/39/08/405113908.db2.gz XJSGUJMGIXLXHV-GFCCVEGCSA-N 0 0 304.419 2.162 10 30 DEEERN C=CCC1(C(=O)N[C@@H](C)c2nnc3ccccn32)CCOCC1 ZINC000424564253 405117057 /nfs/dbraw/zinc/11/70/57/405117057.db2.gz PAFSBAWAOIXIAK-ZDUSSCGKSA-N 0 0 314.389 2.279 10 30 DEEERN C=CCOCC(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000354247790 405122111 /nfs/dbraw/zinc/12/21/11/405122111.db2.gz MZOBZXGPXWSYDB-UHFFFAOYSA-N 0 0 308.809 2.017 10 30 DEEERN C=CCCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000436797737 405140414 /nfs/dbraw/zinc/14/04/14/405140414.db2.gz PCUUSCONGCECCS-CQSZACIVSA-N 0 0 302.374 2.079 10 30 DEEERN C=CCC1(C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)CCOCC1 ZINC000424679046 405147246 /nfs/dbraw/zinc/14/72/46/405147246.db2.gz ATNLGKRMWVTKML-UHFFFAOYSA-N 0 0 322.449 2.217 10 30 DEEERN C#CCCCS(=O)(=O)N1CCC[C@@H]1Cc1ccccc1OC ZINC000367744012 405141237 /nfs/dbraw/zinc/14/12/37/405141237.db2.gz BJSBQLWYBYAUBV-MRXNPFEDSA-N 0 0 321.442 2.445 10 30 DEEERN Cc1ncc(S(=O)(=O)N2C[C@H](C)CCC[C@H]2C)cc1C#N ZINC000408362953 405185905 /nfs/dbraw/zinc/18/59/05/405185905.db2.gz SGJGZCBKBSRRNK-VXGBXAGGSA-N 0 0 307.419 2.461 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408411496 405200189 /nfs/dbraw/zinc/20/01/89/405200189.db2.gz IBUYUSLFDVNQEM-CQSZACIVSA-N 0 0 312.291 2.396 10 30 DEEERN C=CCC1(C(=O)N2CC[C@@H]([C@H](O)C(F)(F)F)C2)CCOCC1 ZINC000424868947 405200296 /nfs/dbraw/zinc/20/02/96/405200296.db2.gz VAFLDSGDFJQDAH-NEPJUHHUSA-N 0 0 321.339 2.131 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)COCC(F)F ZINC000437477938 405200578 /nfs/dbraw/zinc/20/05/78/405200578.db2.gz BDKOYMGSVSTUHV-AAEUAGOBSA-N 0 0 305.365 2.392 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1c[nH]cc1-c1cnn(C)c1 ZINC000437490366 405201828 /nfs/dbraw/zinc/20/18/28/405201828.db2.gz MHCGSIIXYLPAAF-LRDDRELGSA-N 0 0 314.389 2.126 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC(OC(F)F)C1 ZINC000437600607 405208789 /nfs/dbraw/zinc/20/87/89/405208789.db2.gz FPVXTFBLTJPHLC-AWEZNQCLSA-N 0 0 324.327 2.412 10 30 DEEERN C[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[C@@H]1O ZINC000408459735 405211323 /nfs/dbraw/zinc/21/13/23/405211323.db2.gz ZEOSBJFBYBDNMC-SKDRFNHKSA-N 0 0 323.190 2.164 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000424913092 405211443 /nfs/dbraw/zinc/21/14/43/405211443.db2.gz JBCKBDRVJBDDEO-AAEUAGOBSA-N 0 0 318.398 2.052 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000424925453 405213975 /nfs/dbraw/zinc/21/39/75/405213975.db2.gz PGMCAZHMDCVUGM-FZMZJTMJSA-N 0 0 320.345 2.233 10 30 DEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1[nH]nc(C2CC2)c1Br ZINC000408331572 405175510 /nfs/dbraw/zinc/17/55/10/405175510.db2.gz RLPUAOBUNMVYQI-RKDXNWHRSA-N 0 0 323.194 2.472 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](C)CC(=O)c1ccc(OC)cc1 ZINC000452934758 405261647 /nfs/dbraw/zinc/26/16/47/405261647.db2.gz CHNIXAQZEOJRHW-VMGRFDJRSA-N 0 0 317.385 2.364 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](C)CC(=O)c1ccc(OC)cc1 ZINC000452934756 405261655 /nfs/dbraw/zinc/26/16/55/405261655.db2.gz CHNIXAQZEOJRHW-MJEQTWJJSA-N 0 0 317.385 2.364 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000425179092 405254464 /nfs/dbraw/zinc/25/44/64/405254464.db2.gz OQPWCWXJANDKMX-JSGCOSHPSA-N 0 0 313.394 2.312 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NCCCc1nc(C(C)C)no1 ZINC000454443305 405346154 /nfs/dbraw/zinc/34/61/54/405346154.db2.gz ZPVVJQMOPUJLTA-OLZOCXBDSA-N 0 0 322.409 2.158 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000425561941 405303707 /nfs/dbraw/zinc/30/37/07/405303707.db2.gz DOHUZEVDJDSJBD-FMSGJZPZSA-N 0 0 300.349 2.264 10 30 DEEERN C=CC[C@H](C)NC(=O)C(=O)Nc1cc(-c2ccsc2)nn1C ZINC000427075197 405388007 /nfs/dbraw/zinc/38/80/07/405388007.db2.gz SGFCUQCLSZGVNN-JTQLQIEISA-N 0 0 318.402 2.168 10 30 DEEERN C=C(CC)CNC(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000455527056 405421913 /nfs/dbraw/zinc/42/19/13/405421913.db2.gz UKQNAQVRZGMUID-HNNXBMFYSA-N 0 0 301.390 2.447 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000448635012 405430195 /nfs/dbraw/zinc/43/01/95/405430195.db2.gz OFCXRRLDBZVHSG-QGZVFWFLSA-N 0 0 308.385 2.026 10 30 DEEERN C=CCn1cc(C(=O)N2CCC(=O)C[C@H]2c2ccccc2)nn1 ZINC000633161634 405476405 /nfs/dbraw/zinc/47/64/05/405476405.db2.gz ALSWYMFOPQYKDA-INIZCTEOSA-N 0 0 310.357 2.011 10 30 DEEERN C=CCCn1cc(C(=O)N2CCC(=O)C[C@@H]2c2ccccc2)nn1 ZINC000633164204 405478179 /nfs/dbraw/zinc/47/81/79/405478179.db2.gz NZOVBIRJGSYSBD-QGZVFWFLSA-N 0 0 324.384 2.401 10 30 DEEERN C=CCOc1ccc(CC(=O)NC2(CF)CCOCC2)cc1 ZINC000456054540 405483580 /nfs/dbraw/zinc/48/35/80/405483580.db2.gz UWOFMWFGDCRRSD-UHFFFAOYSA-N 0 0 307.365 2.429 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C(C)(C)C)cn2)C1=O ZINC000421539406 405533465 /nfs/dbraw/zinc/53/34/65/405533465.db2.gz IQLMCRHUGNCESG-OAHLLOKOSA-N 0 0 315.417 2.238 10 30 DEEERN C=C(C)CCNC(=O)N1CCc2nnn(C3CC(C)C3)c2C1 ZINC000633279081 405544896 /nfs/dbraw/zinc/54/48/96/405544896.db2.gz OELYOGACAXFHOP-UHFFFAOYSA-N 0 0 303.410 2.283 10 30 DEEERN C=C1CCN(S(=O)(=O)C[C@@H](OC)c2ccc(F)cc2)CC1 ZINC000528326117 405566356 /nfs/dbraw/zinc/56/63/56/405566356.db2.gz OLSQJQRMBTXMLS-OAHLLOKOSA-N 0 0 313.394 2.495 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)[C@H](C)CC(=O)c1ccc(OC)cc1 ZINC000456758539 405552002 /nfs/dbraw/zinc/55/20/02/405552002.db2.gz COCHFWNTTGXMRS-HIFRSBDPSA-N 0 0 319.401 2.347 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000635920560 405606252 /nfs/dbraw/zinc/60/62/52/405606252.db2.gz SYOBIELLHBRFNJ-HUUCEWRRSA-N 0 0 315.373 2.203 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Cc1cn2cc(C)sc2n1 ZINC000633320594 405572182 /nfs/dbraw/zinc/57/21/82/405572182.db2.gz PDAOVTQDQVQHKR-OLZOCXBDSA-N 0 0 305.403 2.097 10 30 DEEERN C=CCOc1ccc(C[N@@H+]2CC[C@](O)(C(F)F)C2)cc1OC ZINC000449477624 405578462 /nfs/dbraw/zinc/57/84/62/405578462.db2.gz WWTDIBZBQNMZTH-MRXNPFEDSA-N 0 0 313.344 2.462 10 30 DEEERN N#Cc1ccc(CN2CCCc3c(OCC(N)=O)cccc32)cc1 ZINC000449537862 405603155 /nfs/dbraw/zinc/60/31/55/405603155.db2.gz SHEGPZLYVLQIGU-UHFFFAOYSA-N 0 0 321.380 2.375 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCOC1(C)C ZINC000458945091 405666673 /nfs/dbraw/zinc/66/66/73/405666673.db2.gz CKUMVUNMOGPNNA-OAHLLOKOSA-N 0 0 322.405 2.427 10 30 DEEERN C=CCC1(CNC(=O)NC[C@]2(CCO)CCOC2)CCCC1 ZINC000459047478 405712696 /nfs/dbraw/zinc/71/26/96/405712696.db2.gz HOXYJDQMUAPLBN-KRWDZBQOSA-N 0 0 310.438 2.211 10 30 DEEERN C=CCN(C)Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000494686666 405746267 /nfs/dbraw/zinc/74/62/67/405746267.db2.gz CJOXIOGXIPBQLL-UHFFFAOYSA-N 0 0 306.387 2.363 10 30 DEEERN C[C@H](CC(=O)c1cccs1)NC(=O)c1ccc(C#N)n1C ZINC000450312240 405828142 /nfs/dbraw/zinc/82/81/42/405828142.db2.gz LHPQVXYPMZRQPI-SNVBAGLBSA-N 0 0 301.371 2.350 10 30 DEEERN C=CCOCCCNC(=O)CC1CCN(CC(F)F)CC1 ZINC000636200262 405809827 /nfs/dbraw/zinc/80/98/27/405809827.db2.gz MFJBUKXWACITJF-UHFFFAOYSA-N 0 0 304.381 2.063 10 30 DEEERN CN1CCO[C@@H](CNc2ncccc2C#N)[C@@H]1c1ccccc1 ZINC000583617509 405774823 /nfs/dbraw/zinc/77/48/23/405774823.db2.gz IRTZZPMFCXQFFH-IRXDYDNUSA-N 0 0 308.385 2.437 10 30 DEEERN COc1ccc(OC)c(CNC(=O)Cc2cccc(C#N)c2)c1 ZINC000530910664 405879332 /nfs/dbraw/zinc/87/93/32/405879332.db2.gz GLGIXSRGJJTPHH-UHFFFAOYSA-N 0 0 310.353 2.434 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCc1cc(=O)[nH]c(C2CCC2)n1 ZINC000636319995 405886906 /nfs/dbraw/zinc/88/69/06/405886906.db2.gz AOMHAYRCTJXAHE-KRWDZBQOSA-N 0 0 319.405 2.295 10 30 DEEERN C=CCOCC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000633784233 405833995 /nfs/dbraw/zinc/83/39/95/405833995.db2.gz XOXNNVOIEIQRRW-NILFDRSVSA-N 0 0 322.202 2.406 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)Nc1ccc2[nH]c(C(N)=O)cc2c1 ZINC000633784715 405835225 /nfs/dbraw/zinc/83/52/25/405835225.db2.gz JXLTZYLRRGJKCJ-QGZVFWFLSA-N 0 0 315.373 2.434 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000633965114 405933498 /nfs/dbraw/zinc/93/34/98/405933498.db2.gz YSJVFLCPAFSOCU-UHFFFAOYSA-N 0 0 300.358 2.292 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1ncccc1S(C)(=O)=O ZINC000633966137 405933663 /nfs/dbraw/zinc/93/36/63/405933663.db2.gz HECWAXFZNDOAJP-UHFFFAOYSA-N 0 0 310.419 2.207 10 30 DEEERN C=CCC(CC=C)C(=O)NCc1nnc(C2CCOCC2)[nH]1 ZINC000634009687 405957073 /nfs/dbraw/zinc/95/70/73/405957073.db2.gz RKVHHVQXLQFNTL-UHFFFAOYSA-N 0 0 304.394 2.083 10 30 DEEERN C=CCN(C[C@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000450565255 405957696 /nfs/dbraw/zinc/95/76/96/405957696.db2.gz WBGMJQCOSJBVND-CHWSQXEVSA-N 0 0 307.406 2.487 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000562307852 405981953 /nfs/dbraw/zinc/98/19/53/405981953.db2.gz MWLUOTYGLQBISL-ZDUSSCGKSA-N 0 0 317.451 2.336 10 30 DEEERN N#Cc1ccsc1C(=O)N1CC[C@H](OCc2ccccn2)C1 ZINC000531625644 405986245 /nfs/dbraw/zinc/98/62/45/405986245.db2.gz TTXQDVKYGMSSEQ-AWEZNQCLSA-N 0 0 313.382 2.446 10 30 DEEERN N#Cc1ccsc1C(=O)N1CC[C@@H](OCc2ccccn2)C1 ZINC000531625645 405986413 /nfs/dbraw/zinc/98/64/13/405986413.db2.gz TTXQDVKYGMSSEQ-CQSZACIVSA-N 0 0 313.382 2.446 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@]1(C)CCCS1 ZINC000636794340 406083727 /nfs/dbraw/zinc/08/37/27/406083727.db2.gz GTTLWDUQYAGADD-INIZCTEOSA-N 0 0 312.479 2.497 10 30 DEEERN C=CCn1cc(CNC(=O)N[C@@H]2CCCC[C@@H]2C(C)C)nn1 ZINC000566141629 406086653 /nfs/dbraw/zinc/08/66/53/406086653.db2.gz LAMLOGICXKPQEV-HUUCEWRRSA-N 0 0 305.426 2.478 10 30 DEEERN CC#CCCCC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)OC ZINC000467510002 406096241 /nfs/dbraw/zinc/09/62/41/406096241.db2.gz DNUUOYCPSGMJLB-HNNXBMFYSA-N 0 0 319.376 2.467 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N[C@H](CF)c1ccc(F)cc1 ZINC000632347614 406101031 /nfs/dbraw/zinc/10/10/31/406101031.db2.gz SRRTZYCMWSYQSA-CQSZACIVSA-N 0 0 310.344 2.377 10 30 DEEERN C=CCc1cc(CNCc2cc(OC)no2)cc(OC)c1O ZINC000639323976 406045589 /nfs/dbraw/zinc/04/55/89/406045589.db2.gz HUAQSZNMGCVBTI-UHFFFAOYSA-N 0 0 304.346 2.416 10 30 DEEERN Cn1cc([C@@H](NC(=O)Cc2cccc(C#N)c2)C(F)(F)F)cn1 ZINC000515195857 406057477 /nfs/dbraw/zinc/05/74/77/406057477.db2.gz JMLFPEHANABANK-CQSZACIVSA-N 0 0 322.290 2.254 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC000636702434 406057644 /nfs/dbraw/zinc/05/76/44/406057644.db2.gz WFLIXHQXTZAYJU-CQSZACIVSA-N 0 0 318.339 2.260 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000563688268 406061799 /nfs/dbraw/zinc/06/17/99/406061799.db2.gz MTGFQHFTWIIXLU-CVEARBPZSA-N 0 0 324.384 2.286 10 30 DEEERN C=CCNC(=O)c1ccc(N2CCO[C@@H](C3CCC3)C2)nc1 ZINC000564713345 406064937 /nfs/dbraw/zinc/06/49/37/406064937.db2.gz PFUCFAIKQPIRHP-OAHLLOKOSA-N 0 0 301.390 2.003 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](COC)c1ccc(C)o1 ZINC000636730658 406065078 /nfs/dbraw/zinc/06/50/78/406065078.db2.gz VTSCVXGZNIIKKB-ZDUSSCGKSA-N 0 0 322.405 2.110 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](COC)c1ccc(C)o1 ZINC000636730648 406065455 /nfs/dbraw/zinc/06/54/55/406065455.db2.gz VTSCVXGZNIIKKB-CYBMUJFWSA-N 0 0 322.405 2.110 10 30 DEEERN C=CCn1c(CC(F)(F)F)nnc1N1CCOCC2(CC2)C1 ZINC000564962260 406069004 /nfs/dbraw/zinc/06/90/04/406069004.db2.gz CNTSZCKEBXCXMP-UHFFFAOYSA-N 0 0 316.327 2.186 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000636753043 406072021 /nfs/dbraw/zinc/07/20/21/406072021.db2.gz XTYXRCVFPMABRI-BFHYXJOUSA-N 0 0 322.449 2.025 10 30 DEEERN C=CCn1c(COCCOC)nnc1N1CC2(CCC2)C[C@H]1C ZINC000634338795 406105314 /nfs/dbraw/zinc/10/53/14/406105314.db2.gz NINRKYVOOMVICR-CQSZACIVSA-N 0 0 320.437 2.396 10 30 DEEERN COC(=O)C1(N(C)C(=O)Cc2cccc(C#N)c2)CCCC1 ZINC000532893253 406109177 /nfs/dbraw/zinc/10/91/77/406109177.db2.gz ZPPBXPMNVVNJKC-UHFFFAOYSA-N 0 0 300.358 2.045 10 30 DEEERN C=C(C)Cn1c(N2CCO[C@@H](CC)C2)nnc1[C@]1(C)CCCO1 ZINC000567688918 406119692 /nfs/dbraw/zinc/11/96/92/406119692.db2.gz OTYYNZGAPQYONO-YOEHRIQHSA-N 0 0 320.437 2.495 10 30 DEEERN C=C(C)Cn1c(COCCOC)nnc1N1CC[C@H](C(C)C)C1 ZINC000634383492 406120925 /nfs/dbraw/zinc/12/09/25/406120925.db2.gz BJOUCCBQVHRNED-HNNXBMFYSA-N 0 0 322.453 2.500 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)Cc1cc(C)on1 ZINC000632421809 406131095 /nfs/dbraw/zinc/13/10/95/406131095.db2.gz ZXPIETOVWGUWGE-UHFFFAOYSA-N 0 0 307.394 2.050 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000567743364 406131344 /nfs/dbraw/zinc/13/13/44/406131344.db2.gz SDWDEMZIITZZOS-QAETUUGQSA-N 0 0 316.401 2.095 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1cccc(C)c1OC ZINC000636999301 406145814 /nfs/dbraw/zinc/14/58/14/406145814.db2.gz HUIUNYWJYUFYLP-UHFFFAOYSA-N 0 0 318.417 2.338 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NC[C@H](C)c1ccccn1 ZINC000637040290 406158648 /nfs/dbraw/zinc/15/86/48/406158648.db2.gz CPZOVPCQARMDIR-ZDUSSCGKSA-N 0 0 303.406 2.020 10 30 DEEERN CC#CCCNC(=O)N1CC(Cc2cc(OC)cc(OC)c2)C1 ZINC000483421121 406179259 /nfs/dbraw/zinc/17/92/59/406179259.db2.gz LXPGNSFRUQFIJU-UHFFFAOYSA-N 0 0 316.401 2.301 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000637192450 406206787 /nfs/dbraw/zinc/20/67/87/406206787.db2.gz SMDSYEROBSREBM-BMFZPTHFSA-N 0 0 302.374 2.235 10 30 DEEERN C=CCCC(C)(C)CNS(=O)(=O)CCOCC(F)(F)F ZINC000632641988 406209882 /nfs/dbraw/zinc/20/98/82/406209882.db2.gz FYDINAUJJAURLR-UHFFFAOYSA-N 0 0 317.373 2.477 10 30 DEEERN C=CCCNC(=O)NCCC1(O)CCN(c2ccccc2)CC1 ZINC000637265979 406234640 /nfs/dbraw/zinc/23/46/40/406234640.db2.gz GHBJDUDPPZGHPI-UHFFFAOYSA-N 0 0 317.433 2.283 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000519761516 406249092 /nfs/dbraw/zinc/24/90/92/406249092.db2.gz DOSLGVQLBRUQDW-VGWMRTNUSA-N 0 0 308.422 2.178 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCOC[C@@H]1c1noc(C)n1 ZINC000637321456 406257862 /nfs/dbraw/zinc/25/78/62/406257862.db2.gz ISIDGAXELFATDV-GFCCVEGCSA-N 0 0 308.382 2.063 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)c2cccc3cccc(O)c32)C1=O ZINC000632848108 406288790 /nfs/dbraw/zinc/28/87/90/406288790.db2.gz GFKZIEGUSDTQTP-HNNXBMFYSA-N 0 0 324.380 2.404 10 30 DEEERN C=CC[C@H]1CCCN(C(=O)N[C@H]2CCO[C@H]2c2nc(C)no2)C1 ZINC000637551423 406344476 /nfs/dbraw/zinc/34/44/76/406344476.db2.gz MMDZZVOPSRNQNM-MELADBBJSA-N 0 0 320.393 2.206 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCO[C@H]1c1nc(C)no1 ZINC000637552075 406344765 /nfs/dbraw/zinc/34/47/65/406344765.db2.gz SCXGVSSNAGMEKO-RFQIPJPRSA-N 0 0 318.377 2.101 10 30 DEEERN Cc1ncc(S(=O)(=O)N(C)C(C2CC2)C2CC2)cc1C#N ZINC000522055016 406388475 /nfs/dbraw/zinc/38/84/75/406388475.db2.gz DALCONGBBNIFIG-UHFFFAOYSA-N 0 0 305.403 2.071 10 30 DEEERN C=CCn1c(-c2cn(C)nn2)nnc1N(C)C[C@H](C)C(C)(C)C ZINC000635029192 406407037 /nfs/dbraw/zinc/40/70/37/406407037.db2.gz FKECTCMHVMRHMV-LBPRGKRZSA-N 0 0 317.441 2.378 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCC(C)(C)[C@@]1(O)CCOC1 ZINC000637621981 406369335 /nfs/dbraw/zinc/36/93/35/406369335.db2.gz VKGCGYCMLAUYCA-QGZVFWFLSA-N 0 0 312.454 2.456 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000637624089 406370817 /nfs/dbraw/zinc/37/08/17/406370817.db2.gz URONTJCKORCNLJ-AWEZNQCLSA-N 0 0 307.438 2.431 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccnn1CC1CCC1 ZINC000635145450 406439435 /nfs/dbraw/zinc/43/94/35/406439435.db2.gz HUPULAFPVSFERC-CQSZACIVSA-N 0 0 316.405 2.189 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)C[C@H]1CCCS1(=O)=O ZINC000635185039 406452908 /nfs/dbraw/zinc/45/29/08/406452908.db2.gz JZTDIXYJFASSPT-CYBMUJFWSA-N 0 0 313.444 2.230 10 30 DEEERN C=C(C)COCCNC(=O)C[C@@H](n1ccnc1)C(F)(F)F ZINC000635688290 406680634 /nfs/dbraw/zinc/68/06/34/406680634.db2.gz AIHBSXCQKBROCC-LLVKDONJSA-N 0 0 305.300 2.086 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(F)(c2ccccn2)CC1 ZINC000573808471 406777759 /nfs/dbraw/zinc/77/77/59/406777759.db2.gz LPYKDBOTJSMBMH-KGLIPLIRSA-N 0 0 304.365 2.460 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000575041538 406788542 /nfs/dbraw/zinc/78/85/42/406788542.db2.gz NBBOQZDLYJHQKH-YESZJQIVSA-N 0 0 316.401 2.361 10 30 DEEERN CCOC(=O)Cc1ccc(C#N)c(Br)c1[N+](=O)[O-] ZINC000575383626 406808144 /nfs/dbraw/zinc/80/81/44/406808144.db2.gz TYGMCLGGYMWHLU-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN COC(=O)Cc1cc([N+](=O)[O-])cc(C#N)c1OC(F)(F)F ZINC000575395786 406808855 /nfs/dbraw/zinc/80/88/55/406808855.db2.gz QQRVSZLZYWIGTP-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN CCOC(=O)Cc1cc(C=O)c(C#N)cc1OC(F)(F)F ZINC000575391202 406809044 /nfs/dbraw/zinc/80/90/44/406809044.db2.gz OTTZXFSTRAOUIE-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN N#CCc1cc(I)c([N+](=O)[O-])cc1F ZINC000575706909 406821262 /nfs/dbraw/zinc/82/12/62/406821262.db2.gz ALRQENFEKYHWMF-UHFFFAOYSA-N 0 0 306.034 2.405 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(C2CCOCC2)CC1 ZINC000576274266 406829716 /nfs/dbraw/zinc/82/97/16/406829716.db2.gz QHPJXOLWHLQODU-IRXDYDNUSA-N 0 0 322.449 2.426 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc2c1OCCC2=O ZINC000577100856 406835372 /nfs/dbraw/zinc/83/53/72/406835372.db2.gz UDIGEZLPWPQXRS-NHYWBVRUSA-N 0 0 316.357 2.364 10 30 DEEERN N#Cc1csc(CN2c3cc(F)cc(F)c3[C@@H](N)C2=O)c1 ZINC000129126658 196021535 /nfs/dbraw/zinc/02/15/35/196021535.db2.gz SQIDFVRPJJTUAO-CYBMUJFWSA-N 0 0 305.309 2.445 10 30 DEEERN CC#CC[C@@H](NN)c1cccc(I)c1 ZINC000129329051 196039963 /nfs/dbraw/zinc/03/99/63/196039963.db2.gz NWFRLGIOKZYEEH-LLVKDONJSA-N 0 0 300.143 2.209 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000130602858 196094473 /nfs/dbraw/zinc/09/44/73/196094473.db2.gz MBLAKAGBOJEGGQ-UHFFFAOYSA-N 0 0 312.316 2.337 10 30 DEEERN COc1cccc([C@H]2CN(C(=O)c3ccc(C#N)cn3)CCO2)c1 ZINC000130813576 196111587 /nfs/dbraw/zinc/11/15/87/196111587.db2.gz TYUSTLZWVMHYDG-QGZVFWFLSA-N 0 0 323.352 2.176 10 30 DEEERN CCCC(=O)NCC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000130851387 196115109 /nfs/dbraw/zinc/11/51/09/196115109.db2.gz GEAWRCKFBIVZLE-UHFFFAOYSA-N 0 0 303.362 2.200 10 30 DEEERN Cc1cc(C#CCO)cc(C(=O)N2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000131662740 196188622 /nfs/dbraw/zinc/18/86/22/196188622.db2.gz DORKJQRALURNRG-OKILXGFUSA-N 0 0 303.427 2.305 10 30 DEEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000132000532 196218401 /nfs/dbraw/zinc/21/84/01/196218401.db2.gz BUZQULVQOSTTMN-GFCCVEGCSA-N 0 0 312.373 2.200 10 30 DEEERN N#Cc1ccc(Cc2cnc(NC(=O)C3(O)CCC3)s2)cc1 ZINC000132015135 196218552 /nfs/dbraw/zinc/21/85/52/196218552.db2.gz GOCUNYVWYZNIBF-UHFFFAOYSA-N 0 0 313.382 2.459 10 30 DEEERN CN1CCO[C@H](CNc2ccc(Br)cc2C#N)C1 ZINC000132328070 196246144 /nfs/dbraw/zinc/24/61/44/196246144.db2.gz MDHLGZUDWKJXAR-GFCCVEGCSA-N 0 0 310.195 2.063 10 30 DEEERN N#Cc1cc(Br)ccc1NC(=O)N[C@H]1CCOC1 ZINC000132537133 196263936 /nfs/dbraw/zinc/26/39/36/196263936.db2.gz PTJLUSUFLVVGBO-JTQLQIEISA-N 0 0 310.151 2.231 10 30 DEEERN C#CCC[C@@H](NN)c1csc(I)c1 ZINC000133745021 196332873 /nfs/dbraw/zinc/33/28/73/196332873.db2.gz KFXSUDZPGZSBOK-MRVPVSSYSA-N 0 0 306.172 2.271 10 30 DEEERN C=CCCCN(C)C(=O)CCn1cnc2sccc2c1=O ZINC000135098053 196443830 /nfs/dbraw/zinc/44/38/30/196443830.db2.gz SHBTWHIXHBTMPO-UHFFFAOYSA-N 0 0 305.403 2.273 10 30 DEEERN C=C(C)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000135289086 196460260 /nfs/dbraw/zinc/46/02/60/196460260.db2.gz MJZGQKLVBITIPK-UHFFFAOYSA-N 0 0 304.755 2.445 10 30 DEEERN C[C@H](C#N)Oc1ccccc1NC(=O)N(C)CC1(CO)CC1 ZINC000188643901 225028081 /nfs/dbraw/zinc/02/80/81/225028081.db2.gz LEZOYPWRKKLRNA-GFCCVEGCSA-N 0 0 303.362 2.214 10 30 DEEERN COCCN(C(=O)[C@H]1CCOC[C@H]1C)c1ccc(C#N)cc1 ZINC000194461003 225181661 /nfs/dbraw/zinc/18/16/61/225181661.db2.gz HSGQEKNGANGTEW-CJNGLKHVSA-N 0 0 302.374 2.210 10 30 DEEERN O=C(NCCc1ccc2ccccc2n1)N1CC(O)(C2CC2)C1 ZINC000329462964 225882821 /nfs/dbraw/zinc/88/28/21/225882821.db2.gz UETYMWHVUNDVAX-UHFFFAOYSA-N 0 0 311.385 2.148 10 30 DEEERN COC1(CNC(=O)N2CCc3cncnc3C2)CCC(C)CC1 ZINC000330028734 225959118 /nfs/dbraw/zinc/95/91/18/225959118.db2.gz PCKOXCRTHZGSOY-UHFFFAOYSA-N 0 0 318.421 2.344 10 30 DEEERN Cc1c([C@H]2OCC[C@@H]2NC(=O)N[C@@H](C)CC2CC2)cnn1C ZINC000330338821 225995931 /nfs/dbraw/zinc/99/59/31/225995931.db2.gz VWMMFDBGWDQOAB-NZVBXONLSA-N 0 0 306.410 2.251 10 30 DEEERN N#C[C@H]1CN(Cc2cccc(OC(F)F)c2)CCN1C1CC1 ZINC000360094099 226839590 /nfs/dbraw/zinc/83/95/90/226839590.db2.gz YFCSJFSEANNAON-AWEZNQCLSA-N 0 0 307.344 2.460 10 30 DEEERN C[C@@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1cccc(F)c1 ZINC000363254934 226913192 /nfs/dbraw/zinc/91/31/92/226913192.db2.gz OJODFQWMQKDIHN-MLGOLLRUSA-N 0 0 301.365 2.128 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cccc(Cl)c2F)CCN1C1CC1 ZINC000370573849 227055998 /nfs/dbraw/zinc/05/59/98/227055998.db2.gz LZICSEVTOSPDQK-LLVKDONJSA-N 0 0 307.756 2.291 10 30 DEEERN Cc1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(C)n1C1CC1 ZINC000370994690 227061413 /nfs/dbraw/zinc/06/14/13/227061413.db2.gz VTXXPOISSNNQRW-INIZCTEOSA-N 0 0 312.417 2.252 10 30 DEEERN Cc1nn(C(C)(C)C)c(C)c1CN1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371325865 227067931 /nfs/dbraw/zinc/06/79/31/227067931.db2.gz GVSOVVFQVRYEON-INIZCTEOSA-N 0 0 315.465 2.427 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCNC(=O)[C@@H]1CC ZINC000291149401 222173912 /nfs/dbraw/zinc/17/39/12/222173912.db2.gz XQIULUIXBFXVIG-AWEZNQCLSA-N 0 0 319.453 2.158 10 30 DEEERN C#Cc1ccccc1CC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000291216134 222229931 /nfs/dbraw/zinc/22/99/31/222229931.db2.gz HISMWYKMGYKALG-UHFFFAOYSA-N 0 0 321.302 2.279 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1[nH]nc(C2CC2)c1Br ZINC000408331561 227230634 /nfs/dbraw/zinc/23/06/34/227230634.db2.gz RLPUAOBUNMVYQI-BDAKNGLRSA-N 0 0 323.194 2.472 10 30 DEEERN N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000408340218 227232495 /nfs/dbraw/zinc/23/24/95/227232495.db2.gz UJHBKOROXHNEHI-VXNVDRBHSA-N 0 0 304.293 2.074 10 30 DEEERN Cc1cc(S(=O)(=O)N[C@H]2CCC[C@H]2C#N)c(F)cc1F ZINC000408421966 227234430 /nfs/dbraw/zinc/23/44/30/227234430.db2.gz DFXSUGAHLABFQE-CABZTGNLSA-N 0 0 300.330 2.244 10 30 DEEERN C[C@@](O)(CNc1ncc(Br)cc1C#N)C(F)(F)F ZINC000297489953 227238463 /nfs/dbraw/zinc/23/84/63/227238463.db2.gz MIQKVLNBQURQGY-SECBINFHSA-N 0 0 324.100 2.441 10 30 DEEERN Cc1ccc(N2CCC[C@@H](c3nnc4n3CCC4)C2)nc1C#N ZINC000302593569 230312770 /nfs/dbraw/zinc/31/27/70/230312770.db2.gz ASMPAZTXNATZIW-CYBMUJFWSA-N 0 0 308.389 2.183 10 30 DEEERN C=C(C)C[C@H](Nc1nc(OC)cc(C(F)(F)F)n1)C(=O)OC ZINC000601228006 422423220 /nfs/dbraw/zinc/42/32/20/422423220.db2.gz WAWMNLZAGHOVKW-QMMMGPOBSA-N 0 0 319.283 2.424 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)Nc3cc(CC)[nH]n3)cc2C1=O ZINC000620315991 422534056 /nfs/dbraw/zinc/53/40/56/422534056.db2.gz RKGPATKULGVIAN-UHFFFAOYSA-N 0 0 324.340 2.006 10 30 DEEERN N#Cc1cc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)ccn1 ZINC000193168502 424867079 /nfs/dbraw/zinc/86/70/79/424867079.db2.gz ARVJXBZFDZMWHU-GJZGRUSLSA-N 0 0 317.414 2.080 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@H](CC(=O)OC)c1ccccc1 ZINC000194400802 424875510 /nfs/dbraw/zinc/87/55/10/424875510.db2.gz RASXZDZMOPWPJA-DZGCQCFKSA-N 0 0 305.374 2.388 10 30 DEEERN Cc1cc(C#N)nc(NCC(C)(C)c2ccc3c(c2)OCO3)n1 ZINC000561175427 424889898 /nfs/dbraw/zinc/88/98/98/424889898.db2.gz KPRDYJXGZPRWNV-UHFFFAOYSA-N 0 0 310.357 2.775 10 30 DEEERN C=CC[C@H](CO)CNC(=O)Nc1cc(-c2ccccc2F)on1 ZINC000434075489 425024815 /nfs/dbraw/zinc/02/48/15/425024815.db2.gz QPVFWGBEQVLIHM-NSHDSACASA-N 0 0 319.336 2.787 10 30 DEEERN C[C@H](C(=O)Nc1ncccc1-c1ccccc1)n1cnc(C#N)n1 ZINC000360719288 267142265 /nfs/dbraw/zinc/14/22/65/267142265.db2.gz WCQOCTYUBNFWQK-GFCCVEGCSA-N 0 0 318.340 2.411 10 30 DEEERN Cn1nccc1N1CCC[C@@H](Nc2cccc(F)c2C#N)C1=O ZINC000515779562 268136539 /nfs/dbraw/zinc/13/65/39/268136539.db2.gz CIBREYWBVLJBJU-CQSZACIVSA-N 0 0 313.336 2.038 10 30 DEEERN Cc1nsc(NCc2nn(C)cc2Br)c1C#N ZINC000393618641 269099920 /nfs/dbraw/zinc/09/99/20/269099920.db2.gz HSVHBAWQGIKQMX-UHFFFAOYSA-N 0 0 312.196 2.431 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc2cc(Cl)ccn2n1 ZINC000291693858 276875685 /nfs/dbraw/zinc/87/56/85/276875685.db2.gz TYORFWSFPMJBSC-ZYHUDNBSSA-N 0 0 306.753 2.302 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000450277931 277903650 /nfs/dbraw/zinc/90/36/50/277903650.db2.gz TWDFQOISSULARN-RDBSUJKOSA-N 0 0 309.406 2.300 10 30 DEEERN Cc1cc(NC(=O)N2CCC(=O)[C@H](C)C2)c(C#N)cc1N(C)C ZINC000408466129 280603015 /nfs/dbraw/zinc/60/30/15/280603015.db2.gz IMFINZYACNIEOV-GFCCVEGCSA-N 0 0 314.389 2.376 10 30 DEEERN Cc1cccc(S(=O)(=O)NC[C@](C)(O)CCC(C)C)c1C#N ZINC000121081821 281751165 /nfs/dbraw/zinc/75/11/65/281751165.db2.gz IYNNVUXEGZQESU-MRXNPFEDSA-N 0 0 324.446 2.332 10 30 DEEERN CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)[C@H]1CCCO1 ZINC000133497141 282017247 /nfs/dbraw/zinc/01/72/47/282017247.db2.gz PBQNFIOWJHJQCS-IVMMDQJWSA-N 0 0 302.374 2.399 10 30 DEEERN CN1C(=O)CC[C@H](C(=O)NCCCCC#N)[C@@H]1c1ccccc1 ZINC000171996849 289803344 /nfs/dbraw/zinc/80/33/44/289803344.db2.gz CRFCZIHRZQPYEG-RDJZCZTQSA-N 0 0 313.401 2.406 10 30 DEEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000328836938 295381970 /nfs/dbraw/zinc/38/19/70/295381970.db2.gz MZNGGZZQMTWVJO-KCYZZUKISA-N 0 0 308.422 2.095 10 30 DEEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000328850786 295388700 /nfs/dbraw/zinc/38/87/00/295388700.db2.gz USRMDOWKOZJWJC-GUIRCDHDSA-N 0 0 307.394 2.051 10 30 DEEERN C[C@H]1CCOCCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000367671618 300008133 /nfs/dbraw/zinc/00/81/33/300008133.db2.gz KAUMQQXHSVJLKJ-JTQLQIEISA-N 0 0 314.794 2.011 10 30 DEEERN N#CC1(CS(=O)(=O)N2CCCC[C@@H]2c2nccs2)CC1 ZINC000165824278 303143041 /nfs/dbraw/zinc/14/30/41/303143041.db2.gz OMDAUZGEUKNEDH-LLVKDONJSA-N 0 0 311.432 2.304 10 30 DEEERN N#CC1(NC(=O)CN2CCCC[C@@H]2c2cn[nH]c2)CCCCC1 ZINC000114483678 303145464 /nfs/dbraw/zinc/14/54/64/303145464.db2.gz YPSBYYGSZUCVTG-OAHLLOKOSA-N 0 0 315.421 2.279 10 30 DEEERN N#CCCCS(=O)(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000173601553 303150848 /nfs/dbraw/zinc/15/08/48/303150848.db2.gz WELPRCABEUHTRR-CQSZACIVSA-N 0 0 300.424 2.044 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000408339992 303159720 /nfs/dbraw/zinc/15/97/20/303159720.db2.gz MSOCTTVDNOPEOY-KWQFWETISA-N 0 0 302.758 2.450 10 30 DEEERN N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000329822061 303167707 /nfs/dbraw/zinc/16/77/07/303167707.db2.gz HGFDHLQUHMTPCO-IUODEOHRSA-N 0 0 318.398 2.176 10 30 DEEERN Cc1cnc(CNC(=O)[C@@H](C)Oc2ccccc2C#N)s1 ZINC000172723189 325733137 /nfs/dbraw/zinc/73/31/37/325733137.db2.gz FBALDSGDTZZSKV-LLVKDONJSA-N 0 0 301.371 2.407 10 30 DEEERN C=CCn1c(CC)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC000558672807 331933503 /nfs/dbraw/zinc/93/35/03/331933503.db2.gz AZZOWMLGGHJLKU-UHFFFAOYSA-N 0 0 300.410 2.144 10 30 DEEERN C=CCC1(C(=O)N[C@H](c2cnn(C)c2)C2(CO)CCC2)CCC1 ZINC000560658613 332374701 /nfs/dbraw/zinc/37/47/01/332374701.db2.gz KWJMUCDABYRYAN-OAHLLOKOSA-N 0 0 317.433 2.486 10 30 DEEERN C=CCN(C)S(=O)(=O)c1ccc(NCc2coc(C)n2)cc1 ZINC000580216291 333015668 /nfs/dbraw/zinc/01/56/68/333015668.db2.gz UEXMGBQGFSRVJL-UHFFFAOYSA-N 0 0 321.402 2.402 10 30 DEEERN COc1ccc(Br)cc1CC(=O)NC1(C#N)CC1 ZINC000173768902 333078126 /nfs/dbraw/zinc/07/81/26/333078126.db2.gz IBCRBBQAZUHVAP-UHFFFAOYSA-N 0 0 309.163 2.173 10 30 DEEERN N#C[C@H]1CN(C(=O)NCCCC2CCCC2)CCN1C1CC1 ZINC000365238033 333399687 /nfs/dbraw/zinc/39/96/87/333399687.db2.gz FORXDAFMHTVDDC-INIZCTEOSA-N 0 0 304.438 2.339 10 30 DEEERN C=CCCCCCNC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C ZINC000563403552 333601139 /nfs/dbraw/zinc/60/11/39/333601139.db2.gz MGCNAYZRWJKWAH-UHFFFAOYSA-N 0 0 315.377 2.153 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CCO[C@@]2(CCSC2)C1 ZINC000582603979 337112566 /nfs/dbraw/zinc/11/25/66/337112566.db2.gz HIHFKSIVGMJEMA-HOCLYGCPSA-N 0 0 312.479 2.007 10 30 DEEERN C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H](CO)CC(C)C)CC1 ZINC000185384189 337204605 /nfs/dbraw/zinc/20/46/05/337204605.db2.gz UFBQVQAHDFFRQB-INIZCTEOSA-N 0 0 311.470 2.075 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1cnn(-c2ccccc2)c1 ZINC000583079737 337236601 /nfs/dbraw/zinc/23/66/01/337236601.db2.gz JIQVSWYRKOZRSN-RDJZCZTQSA-N 0 0 311.385 2.122 10 30 DEEERN C=CCCCCCNC(=O)c1cc(C)nc2c1c(=O)[nH]n2C ZINC000583273268 337299367 /nfs/dbraw/zinc/29/93/67/337299367.db2.gz LFZMGXSXXWAAHZ-UHFFFAOYSA-N 0 0 302.378 2.459 10 30 DEEERN CCS(=O)(=O)Nc1ccc2c(c1)CCC(=O)[C@@H]2[C@@H](C)C#N ZINC000584602194 337371076 /nfs/dbraw/zinc/37/10/76/337371076.db2.gz ZUUVAZBUGCYNGV-ZUZCIYMTSA-N 0 0 306.387 2.207 10 30 DEEERN C[C@@H](c1cccc(/C=N/NO)c1)N(C)CC(=O)OC(C)(C)C ZINC000584642992 337380219 /nfs/dbraw/zinc/38/02/19/337380219.db2.gz ZBGPODHJVWEXDX-VAKHEIKFSA-N 0 0 307.394 2.334 10 30 DEEERN COC(=O)[C@H](C)Sc1ccccc1C(=O)N[C@H](C#N)C1CC1 ZINC000161866178 337598265 /nfs/dbraw/zinc/59/82/65/337598265.db2.gz VGIVWESSOXHURR-GXFFZTMASA-N 0 0 318.398 2.372 10 30 DEEERN CC(C)(C#N)NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000515457112 337989529 /nfs/dbraw/zinc/98/95/29/337989529.db2.gz YMJHIBUZZAFNBW-UHFFFAOYSA-N 0 0 310.272 2.425 10 30 DEEERN C=CCC[C@@H]1NC(=O)N([C@H]2CCN(c3ccc(F)cc3)C2)C1=O ZINC000515525727 337991533 /nfs/dbraw/zinc/99/15/33/337991533.db2.gz YVZNQEWRWRZNGI-GJZGRUSLSA-N 0 0 317.364 2.291 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCCC[C@@H]1CC ZINC000430412673 338106677 /nfs/dbraw/zinc/10/66/77/338106677.db2.gz IEJKQJBPCXUIIG-PMPSAXMXSA-N 0 0 322.449 2.265 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@H]1CC ZINC000521197998 340483322 /nfs/dbraw/zinc/48/33/22/340483322.db2.gz OKQVVNLVIUPXEE-KGLIPLIRSA-N 0 0 306.410 2.321 10 30 DEEERN C=C(C)COc1cccc(NC(=O)NC[C@H](O)[C@H]2CCCO2)c1 ZINC000528966670 340741120 /nfs/dbraw/zinc/74/11/20/340741120.db2.gz MHSUXCITBJIIGP-JKSUJKDBSA-N 0 0 320.389 2.303 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@@]23C[C@@H]2COC3(C)C)cc1 ZINC000529796620 340769598 /nfs/dbraw/zinc/76/95/98/340769598.db2.gz VTSMCZVTRLLJJV-KDOFPFPSSA-N 0 0 301.386 2.478 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CN1C(=O)[C@@H]2c3ccoc3CCN2C1=O ZINC000530198272 340782338 /nfs/dbraw/zinc/78/23/38/340782338.db2.gz CQMCRXAIHXJQSL-UGFHNGPFSA-N 0 0 316.357 2.122 10 30 DEEERN C[C@@H](C#N)CNC(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000541947544 340990872 /nfs/dbraw/zinc/99/08/72/340990872.db2.gz HXVLLCZEYDKTEU-STQMWFEESA-N 0 0 309.410 2.299 10 30 DEEERN CC(C)(C#N)NS(=O)(=O)c1cc(F)ccc1Br ZINC000542709394 341018523 /nfs/dbraw/zinc/01/85/23/341018523.db2.gz LJJNSXUKWYVXQW-UHFFFAOYSA-N 0 0 321.171 2.169 10 30 DEEERN COC[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(C)C ZINC000542798200 341021041 /nfs/dbraw/zinc/02/10/41/341021041.db2.gz YACINZVWMKHRRM-LRDDRELGSA-N 0 0 312.410 2.035 10 30 DEEERN CC1(C#N)CCN(C(=O)Nc2ccccc2Cn2cncn2)CC1 ZINC000542808547 341021442 /nfs/dbraw/zinc/02/14/42/341021442.db2.gz NHRPSSGFSOHHLC-UHFFFAOYSA-N 0 0 324.388 2.484 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCOc1ccc(F)cc1Cl ZINC000545991618 341149982 /nfs/dbraw/zinc/14/99/82/341149982.db2.gz NSDFNQSXXGBUOF-NSHDSACASA-N 0 0 301.745 2.301 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC000548853489 341278201 /nfs/dbraw/zinc/27/82/01/341278201.db2.gz AJHNPJPOUDKACE-LSDHHAIUSA-N 0 0 320.437 2.424 10 30 DEEERN N#C[C@H]1CN(c2nnc(CC3CC3)n2Cc2ccccc2)CCO1 ZINC000549538312 341296953 /nfs/dbraw/zinc/29/69/53/341296953.db2.gz BJFOZZJFGKBGAZ-INIZCTEOSA-N 0 0 323.400 2.008 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CC[C@H](C2CC2)C1 ZINC000549685681 341300581 /nfs/dbraw/zinc/30/05/81/341300581.db2.gz RSHWCNHZTGXOMC-GJZGRUSLSA-N 0 0 318.421 2.178 10 30 DEEERN C=CCCCS(=O)(=O)N(CC1CC1)[C@](C)(CC)C(=O)OC ZINC000425203266 500574108 /nfs/dbraw/zinc/57/41/08/500574108.db2.gz DYVOKBAAEHTRGE-OAHLLOKOSA-N 0 0 317.451 2.336 10 30 DEEERN C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)C1 ZINC000329966372 534177431 /nfs/dbraw/zinc/17/74/31/534177431.db2.gz VNEATVNCCRUFKG-RQJABVFESA-N 0 0 321.400 2.086 10 30 DEEERN C=CC[C@H](CC)NC(=O)N[C@@H]1C[C@H](OCC)[C@@H]1n1cccn1 ZINC000454919680 534373107 /nfs/dbraw/zinc/37/31/07/534373107.db2.gz UAPOZLFVJUOQPC-LJISPDSOSA-N 0 0 306.410 2.256 10 30 DEEERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)C1(C#N)CCOCC1 ZINC000264548998 534458617 /nfs/dbraw/zinc/45/86/17/534458617.db2.gz WJYPGUJVXFIYSQ-AWEZNQCLSA-N 0 0 300.358 2.174 10 30 DEEERN CCO[C@@H]1C[C@H](Nc2ccncc2C#N)[C@H]1Oc1ccccc1 ZINC000367802446 520408276 /nfs/dbraw/zinc/40/82/76/520408276.db2.gz KTBBDJAAHQKIRE-RCCFBDPRSA-N 0 0 309.369 2.412 10 30 DEEERN CC(=O)N[C@H](C)C1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000408306256 534615808 /nfs/dbraw/zinc/61/58/08/534615808.db2.gz CCXXYKXHIKYKEN-GFCCVEGCSA-N 0 0 312.417 2.183 10 30 DEEERN Cn1c(SCC#Cc2ccccc2)nnc1-c1cnccn1 ZINC000188087182 534708244 /nfs/dbraw/zinc/70/82/44/534708244.db2.gz OETRCLHTMYJSBD-UHFFFAOYSA-N 0 0 307.382 2.416 10 30 DEEERN Cc1ncc(CN2CCN(C3CC3)[C@@H](C#N)C2)n1-c1ccccc1 ZINC000371327950 534738224 /nfs/dbraw/zinc/73/82/24/534738224.db2.gz QMOQURSODHKKGE-SFHVURJKSA-N 0 0 321.428 2.353 10 30 DEEERN N#Cc1cc(F)c([C@@H]2NC(=O)CN2Cc2ccccc2)c(F)c1 ZINC000195268167 534773536 /nfs/dbraw/zinc/77/35/36/534773536.db2.gz JGQUKYQVKIMCMA-QGZVFWFLSA-N 0 0 313.307 2.467 10 30 DEEERN CC(=O)c1cccc(S(=O)(=O)N[C@H]2CC[C@@H](CC#N)C2)c1 ZINC000451740466 534908215 /nfs/dbraw/zinc/90/82/15/534908215.db2.gz XZMNKTPWBYMHKX-JSGCOSHPSA-N 0 0 306.387 2.250 10 30 DEEERN COc1cccc(N2CC[C@H](CNc3ccncc3C#N)C2)c1 ZINC000363835075 526158823 /nfs/dbraw/zinc/15/88/23/526158823.db2.gz ZSFLVWQFKSNRGX-CQSZACIVSA-N 0 0 308.385 2.322 10 30 DEEERN CC#CCN(C)C(=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000341053182 526351711 /nfs/dbraw/zinc/35/17/11/526351711.db2.gz WYIFYMBQPSSLQK-KRWDZBQOSA-N 0 0 301.386 2.405 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000369575592 526352134 /nfs/dbraw/zinc/35/21/34/526352134.db2.gz ZKLVMGHOZFWLHS-ALOPSCKCSA-N 0 0 313.397 2.443 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)Cn1cncn1 ZINC000299675724 526363650 /nfs/dbraw/zinc/36/36/50/526363650.db2.gz WAXXSUDZCACQOF-CYBMUJFWSA-N 0 0 317.368 2.204 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CCC(C)(C)C3)cc2C1=O ZINC000362218120 526410170 /nfs/dbraw/zinc/41/01/70/526410170.db2.gz SGOXVXPEKJJEBH-UHFFFAOYSA-N 0 0 312.369 2.341 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C)c(OCC)c2)C1=O ZINC000337071828 526466425 /nfs/dbraw/zinc/46/64/25/526466425.db2.gz NRFBSWKFTCNOLX-OAHLLOKOSA-N 0 0 316.401 2.253 10 30 DEEERN CC(=O)N(C)c1cccc(NC(=O)NCC2(CC#N)CC2)c1 ZINC000432242596 526481124 /nfs/dbraw/zinc/48/11/24/526481124.db2.gz MCNFIHCQXQPDBK-UHFFFAOYSA-N 0 0 300.362 2.485 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000339737751 526513897 /nfs/dbraw/zinc/51/38/97/526513897.db2.gz VPBSYFLKARKQBH-LBPRGKRZSA-N 0 0 322.380 2.436 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000337692772 526541465 /nfs/dbraw/zinc/54/14/65/526541465.db2.gz WACUAMGJFQPVEY-JKSUJKDBSA-N 0 0 323.481 2.036 10 30 DEEERN C=CCNC(=O)Cc1noc([C@@H]2CCc3cccc(OC)c32)n1 ZINC000340663252 526580659 /nfs/dbraw/zinc/58/06/59/526580659.db2.gz UOZIYNMJQOVVRC-GFCCVEGCSA-N 0 0 313.357 2.001 10 30 DEEERN C=CCNC(=O)NC(=O)CSc1cccc(Cl)c1C#N ZINC000360946360 526599924 /nfs/dbraw/zinc/59/99/24/526599924.db2.gz LSAWKUYDBPVNHH-UHFFFAOYSA-N 0 0 309.778 2.316 10 30 DEEERN C=C(C)COc1cccc(NC(=O)N2CC(=O)N(CC)C2)c1 ZINC000192199198 526666854 /nfs/dbraw/zinc/66/68/54/526666854.db2.gz YUMBRZZUCBBGOH-UHFFFAOYSA-N 0 0 303.362 2.295 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000377060522 526671482 /nfs/dbraw/zinc/67/14/82/526671482.db2.gz GQSLPYLVEHLICA-FQEVSTJZSA-N 0 0 307.393 2.350 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCc2ccc(C(C)=O)cc2CC1 ZINC000373748410 526679166 /nfs/dbraw/zinc/67/91/66/526679166.db2.gz QTHQEKPQRCEVPB-UHFFFAOYSA-N 0 0 307.415 2.196 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000342312683 526705452 /nfs/dbraw/zinc/70/54/52/526705452.db2.gz FOURJCOPVQGCAV-HOTGVXAUSA-N 0 0 322.449 2.219 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CC[S@](=O)C[C@@H]1c1cnn(CC)c1 ZINC000331117193 526708644 /nfs/dbraw/zinc/70/86/44/526708644.db2.gz DZZJQBFHGXLXIR-IEROGBPDSA-N 0 0 323.462 2.137 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000372005181 526713370 /nfs/dbraw/zinc/71/33/70/526713370.db2.gz XGSMTVZFSPWRIA-KBPBESRZSA-N 0 0 315.417 2.083 10 30 DEEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(C)CC(=O)NC(C)C ZINC000359105671 526718950 /nfs/dbraw/zinc/71/89/50/526718950.db2.gz FVIUSGOJLIPPLH-UHFFFAOYSA-N 0 0 317.393 2.075 10 30 DEEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC000338809403 526720085 /nfs/dbraw/zinc/72/00/85/526720085.db2.gz UYFJYLRTSQSGKK-GFCCVEGCSA-N 0 0 316.361 2.114 10 30 DEEERN C=C(C)Cn1c(COCC)nnc1N1CCO[C@H](C2CCC2)C1 ZINC000414532538 526731890 /nfs/dbraw/zinc/73/18/90/526731890.db2.gz DHBBIZFMRHFABL-HNNXBMFYSA-N 0 0 320.437 2.396 10 30 DEEERN C#CCCNC(=O)NCCc1coc(-c2ccc(OC)cc2)n1 ZINC000369306080 526734773 /nfs/dbraw/zinc/73/47/73/526734773.db2.gz GKQOAQDBFPPLEI-UHFFFAOYSA-N 0 0 313.357 2.215 10 30 DEEERN C#CCCOc1ccc(C(=O)NCCCCC(=O)OC)cc1 ZINC000294805306 526740014 /nfs/dbraw/zinc/74/00/14/526740014.db2.gz UTAPKCQHJQXZSM-UHFFFAOYSA-N 0 0 303.358 2.162 10 30 DEEERN C=C(C)[C@@H](CC(=O)N[C@](C)(c1noc(C)n1)C1CC1)OCC ZINC000353430409 526751529 /nfs/dbraw/zinc/75/15/29/526751529.db2.gz AGPLOISWRXCOHK-CJNGLKHVSA-N 0 0 307.394 2.491 10 30 DEEERN C=CCOCCNC(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000369997105 526776934 /nfs/dbraw/zinc/77/69/34/526776934.db2.gz OGJGWAUCALFZBB-QGZVFWFLSA-N 0 0 304.390 2.146 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000334089675 526778992 /nfs/dbraw/zinc/77/89/92/526778992.db2.gz XIMZFORLKBWOGY-CRWXNKLISA-N 0 0 309.410 2.361 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N(C[C@@H](C)c2ccc(F)cc2F)C1=O ZINC000348509843 526796734 /nfs/dbraw/zinc/79/67/34/526796734.db2.gz LKBKIKNPRBQWHH-YGRLFVJLSA-N 0 0 324.327 2.191 10 30 DEEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)C1(C#N)CCC1)C2 ZINC000408188545 526813825 /nfs/dbraw/zinc/81/38/25/526813825.db2.gz GQQOEJCNIUADDL-LBPRGKRZSA-N 0 0 300.406 2.305 10 30 DEEERN C=CCO[C@H]1CCN(c2cc(C(C)=O)ccc2S(C)(=O)=O)C1 ZINC000302187854 526820485 /nfs/dbraw/zinc/82/04/85/526820485.db2.gz UUUYVMJXONHYEN-AWEZNQCLSA-N 0 0 323.414 2.074 10 30 DEEERN C=CCOc1cccnc1C(=O)NCc1nccn1CC(C)C ZINC000341448737 526964698 /nfs/dbraw/zinc/96/46/98/526964698.db2.gz CVNICLAJINXYIA-UHFFFAOYSA-N 0 0 314.389 2.429 10 30 DEEERN C=CCC1(C(=O)Nc2cccc(C(=O)OC)c2N)CCOCC1 ZINC000424840712 527060621 /nfs/dbraw/zinc/06/06/21/527060621.db2.gz RYIRPMVCBJERQZ-UHFFFAOYSA-N 0 0 318.373 2.367 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N1CCOCC[C@@H]1C ZINC000378488147 527090058 /nfs/dbraw/zinc/09/00/58/527090058.db2.gz HPBZOVASRYRFOD-LBPRGKRZSA-N 0 0 306.337 2.480 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)C[C@H]1CCOC[C@H]1OC ZINC000295123625 527090514 /nfs/dbraw/zinc/09/05/14/527090514.db2.gz ZTELJCXJLHUHKF-MLGOLLRUSA-N 0 0 321.348 2.218 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccc(NC(=O)CCC)cc1 ZINC000182962056 527091162 /nfs/dbraw/zinc/09/11/62/527091162.db2.gz GQZIUHOUEQENCS-HNNXBMFYSA-N 0 0 319.405 2.161 10 30 DEEERN C=CC[C@@]1(C(=O)N[C@H](C)C#N)CCCN1C(=O)OC(C)(C)C ZINC000190402041 527118686 /nfs/dbraw/zinc/11/86/86/527118686.db2.gz JOSUYJRNYAOCKU-WBMJQRKESA-N 0 0 307.394 2.360 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)N[C@H]1CCO[C@@H](CC)C1 ZINC000422623160 527120426 /nfs/dbraw/zinc/12/04/26/527120426.db2.gz ZGPLGFDQYCWKPY-GJZGRUSLSA-N 0 0 310.438 2.265 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1C[C@@H](OC)C[C@@H]1CC(=O)OCC ZINC000341442935 527149739 /nfs/dbraw/zinc/14/97/39/527149739.db2.gz ZBYOOZOQIPLRJH-MJBXVCDLSA-N 0 0 312.410 2.093 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC000287369959 527161331 /nfs/dbraw/zinc/16/13/31/527161331.db2.gz QKMIKWZVGGTEEB-ZBFHGGJFSA-N 0 0 314.429 2.288 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCn2cc(C)nc2C1 ZINC000377206411 527161373 /nfs/dbraw/zinc/16/13/73/527161373.db2.gz GWVJBIXWYJNKEJ-KRWDZBQOSA-N 0 0 322.412 2.351 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000378084772 527161599 /nfs/dbraw/zinc/16/15/99/527161599.db2.gz DDODKGDIORQWMY-JKSUJKDBSA-N 0 0 322.412 2.201 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC(F)(F)C[C@@H]1CO ZINC000377251084 527173111 /nfs/dbraw/zinc/17/31/11/527173111.db2.gz FFCKZNFKBSLRPX-HUUCEWRRSA-N 0 0 322.355 2.033 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000340776892 527179061 /nfs/dbraw/zinc/17/90/61/527179061.db2.gz LNYRATAOSWZHPE-OAHLLOKOSA-N 0 0 322.449 2.409 10 30 DEEERN C=CC[C@H](CO)CNC(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000341691159 527179453 /nfs/dbraw/zinc/17/94/53/527179453.db2.gz AWPCMVRIWIRQPY-AWEZNQCLSA-N 0 0 314.389 2.487 10 30 DEEERN C=CCCCN(C)C(=O)C1CCN(c2nccc(OC)n2)CC1 ZINC000135078141 527182315 /nfs/dbraw/zinc/18/23/15/527182315.db2.gz COVYFKHEDMHQRH-UHFFFAOYSA-N 0 0 318.421 2.126 10 30 DEEERN C=CC[C@H](CO)NC(=O)COc1ccc(/C=C\C)cc1OC ZINC000337085723 527194347 /nfs/dbraw/zinc/19/43/47/527194347.db2.gz ZRQXEOIARTVBMY-KXQLTZBTSA-N 0 0 305.374 2.160 10 30 DEEERN C=CCCCNC(=O)C(=O)NCc1ccc(F)cc1CSC ZINC000342491436 527206265 /nfs/dbraw/zinc/20/62/65/527206265.db2.gz OVGJBORBIWGBJD-UHFFFAOYSA-N 0 0 324.421 2.387 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(Br)c(C)s1 ZINC000424774735 527206902 /nfs/dbraw/zinc/20/69/02/527206902.db2.gz HRMUXHZOBUOPEF-MRVPVSSYSA-N 0 0 304.209 2.486 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000448379649 527210313 /nfs/dbraw/zinc/21/03/13/527210313.db2.gz ZVRSPCYHGWVMQV-SNVBAGLBSA-N 0 0 307.419 2.289 10 30 DEEERN C=CCCCNC(=O)NCCc1cnc2c(Cl)cnn2c1 ZINC000297122006 527220615 /nfs/dbraw/zinc/22/06/15/527220615.db2.gz ZHGPIHXLVPRAKM-UHFFFAOYSA-N 0 0 307.785 2.191 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCOC ZINC000191910043 527257098 /nfs/dbraw/zinc/25/70/98/527257098.db2.gz PBDNGQPLXTUWFJ-UHFFFAOYSA-N 0 0 304.390 2.240 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@@H](COC)CC1 ZINC000422316712 527278121 /nfs/dbraw/zinc/27/81/21/527278121.db2.gz CZLRMWVJOCCFDR-LSDHHAIUSA-N 0 0 310.438 2.123 10 30 DEEERN C=CCn1c(C)nnc1N1CCN(c2ncc(CC)s2)CC1 ZINC000337840047 527299208 /nfs/dbraw/zinc/29/92/08/527299208.db2.gz FBICIHYTPABDFR-UHFFFAOYSA-N 0 0 318.450 2.118 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N(C)CCOCC ZINC000337837516 527319719 /nfs/dbraw/zinc/31/97/19/527319719.db2.gz CXSWXOOJTIZJCF-UHFFFAOYSA-N 0 0 304.394 2.315 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N1CCO[C@H](CC)C1 ZINC000337811393 527319878 /nfs/dbraw/zinc/31/98/78/527319878.db2.gz LFLDLMNDTQKYKD-CQSZACIVSA-N 0 0 316.405 2.458 10 30 DEEERN C=CCCN(C)S(=O)(=O)c1cc(C(=O)OC)c(F)cc1C ZINC000292599487 527322299 /nfs/dbraw/zinc/32/22/99/527322299.db2.gz MZERBWAUQJYWBI-UHFFFAOYSA-N 0 0 315.366 2.117 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)Cc1cccs1 ZINC000282350793 527352922 /nfs/dbraw/zinc/35/29/22/527352922.db2.gz SGQJZNQDIUTWTK-ZDUSSCGKSA-N 0 0 320.418 2.250 10 30 DEEERN C=CCn1cc(CNC(=O)Nc2ccc(CC)c(F)c2)nn1 ZINC000425657161 527368036 /nfs/dbraw/zinc/36/80/36/527368036.db2.gz QTMWZDVIZOWFNY-UHFFFAOYSA-N 0 0 303.341 2.487 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000372024334 527375765 /nfs/dbraw/zinc/37/57/65/527375765.db2.gz FFZJIZOKXBQICM-LSDHHAIUSA-N 0 0 322.405 2.390 10 30 DEEERN C=CCCS(=O)(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000129868846 527405274 /nfs/dbraw/zinc/40/52/74/527405274.db2.gz UYHARLDFVDTSKO-UHFFFAOYSA-N 0 0 305.403 2.210 10 30 DEEERN C#Cc1ccc(CNC(=O)NCCCC(=O)N(CC)CC)cc1 ZINC000296218244 527435525 /nfs/dbraw/zinc/43/55/25/527435525.db2.gz FOGRJVFMRBSVHV-UHFFFAOYSA-N 0 0 315.417 2.116 10 30 DEEERN C#Cc1ccccc1CC(=O)N1CCC(Oc2cnccn2)CC1 ZINC000368162848 527460940 /nfs/dbraw/zinc/46/09/40/527460940.db2.gz KDTCNLYLJWGTAC-UHFFFAOYSA-N 0 0 321.380 2.070 10 30 DEEERN C=CCC[C@H](C(=O)N1CCO[C@H]([C@@H](C)O)C1)c1ccccc1 ZINC000412914260 527462310 /nfs/dbraw/zinc/46/23/10/527462310.db2.gz ICQDKXUIQSGFFN-PVAVHDDUSA-N 0 0 303.402 2.345 10 30 DEEERN C=CCC[C@H](C(=O)N1CCO[C@H]([C@H](C)O)C1)c1ccccc1 ZINC000412914261 527462822 /nfs/dbraw/zinc/46/28/22/527462822.db2.gz ICQDKXUIQSGFFN-XIRDDKMYSA-N 0 0 303.402 2.345 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000425414897 527495383 /nfs/dbraw/zinc/49/53/83/527495383.db2.gz JBBPDJAZQRYHRZ-ZFWWWQNUSA-N 0 0 319.361 2.028 10 30 DEEERN C=CCC[C@H]1NC(=O)N([C@H](CC)c2c(C)nn(C)c2C)C1=O ZINC000419942549 527496477 /nfs/dbraw/zinc/49/64/77/527496477.db2.gz GBWCIIHBGYZDRU-CHWSQXEVSA-N 0 0 304.394 2.375 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1occc1Br ZINC000424931110 527497619 /nfs/dbraw/zinc/49/76/19/527497619.db2.gz ITCBLBYPIRPSRC-WPRPVWTQSA-N 0 0 300.152 2.363 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000425261793 527499644 /nfs/dbraw/zinc/49/96/44/527499644.db2.gz FFABYHKFIGQQPV-WFASDCNBSA-N 0 0 320.345 2.313 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1c(Cl)ccc(C)c1C ZINC000411580953 527500965 /nfs/dbraw/zinc/50/09/65/527500965.db2.gz FAQPQQFVXBIQMT-OLZOCXBDSA-N 0 0 322.792 2.355 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NCC1=CCCOC1 ZINC000358006678 527501106 /nfs/dbraw/zinc/50/11/06/527501106.db2.gz RPXMJOAYNDSELC-UHFFFAOYSA-N 0 0 314.385 2.207 10 30 DEEERN C=CCCn1cc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)nn1 ZINC000333343476 527520587 /nfs/dbraw/zinc/52/05/87/527520587.db2.gz YPWIIIDIDCNERR-OEUWWYETSA-N 0 0 300.406 2.362 10 30 DEEERN C=CCN(C(=O)[C@@H]1CCCOC1)c1nc(C(=O)OCC)cs1 ZINC000340540070 527544523 /nfs/dbraw/zinc/54/45/23/527544523.db2.gz AADJPWCCALSOTI-LLVKDONJSA-N 0 0 324.402 2.265 10 30 DEEERN C=CCN(C)C(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000163125255 527564451 /nfs/dbraw/zinc/56/44/51/527564451.db2.gz XCUHBAMGSFYHDD-UHFFFAOYSA-N 0 0 311.385 2.224 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ccnc(-n2cccn2)c1 ZINC000150832142 527587872 /nfs/dbraw/zinc/58/78/72/527587872.db2.gz MJWKNJZMFHYSGU-UHFFFAOYSA-N 0 0 310.279 2.458 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000188369289 527622530 /nfs/dbraw/zinc/62/25/30/527622530.db2.gz CFCWMRFFHKZBOZ-SUMWQHHRSA-N 0 0 320.437 2.061 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H](C)N1CCO[C@H](c2nccs2)C1 ZINC000195521703 527628301 /nfs/dbraw/zinc/62/83/01/527628301.db2.gz AERNEWZKQJMYQJ-KGLIPLIRSA-N 0 0 321.446 2.106 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000193123104 527630016 /nfs/dbraw/zinc/63/00/16/527630016.db2.gz PSOJETHYSRHNGQ-HNNXBMFYSA-N 0 0 318.442 2.482 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)SCc1nnnn1C(C)C ZINC000176913865 527637480 /nfs/dbraw/zinc/63/74/80/527637480.db2.gz ZOCSBJGCOSSBPZ-LBPRGKRZSA-N 0 0 309.439 2.076 10 30 DEEERN C=CCN(CCC#N)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000433292748 527655389 /nfs/dbraw/zinc/65/53/89/527655389.db2.gz YYPWJUYGFHNZBD-CQSZACIVSA-N 0 0 312.373 2.224 10 30 DEEERN CC(C)(C)CN(CCC#N)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000245800467 527680887 /nfs/dbraw/zinc/68/08/87/527680887.db2.gz IYWCBEJUXQHEHH-CVEARBPZSA-N 0 0 321.465 2.418 10 30 DEEERN CC(C)CC1(C(=O)N2CCN(C(=O)CC#N)CC2)CCCC1 ZINC000408063922 527684374 /nfs/dbraw/zinc/68/43/74/527684374.db2.gz JXYAVBVFBZMDGR-UHFFFAOYSA-N 0 0 305.422 2.177 10 30 DEEERN CCOC(=O)[C@@H]1CCCN(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000442719629 527833577 /nfs/dbraw/zinc/83/35/77/527833577.db2.gz JBBYRDCTWXFUQZ-YMAMQOFZSA-N 0 0 321.421 2.301 10 30 DEEERN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H](c2nccs2)C1 ZINC000195355371 527927471 /nfs/dbraw/zinc/92/74/71/527927471.db2.gz KCNNYQBAXHJXDM-BBRMVZONSA-N 0 0 320.462 2.377 10 30 DEEERN CC(C)CSCCCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000372882462 528214416 /nfs/dbraw/zinc/21/44/16/528214416.db2.gz OXXMJWLYOVPZAH-OAHLLOKOSA-N 0 0 324.494 2.147 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)CC[C@@H]3CCCO3)C2)n1 ZINC000328612936 528747253 /nfs/dbraw/zinc/74/72/53/528747253.db2.gz QDOYJHKEBOSPDM-KBPBESRZSA-N 0 0 320.393 2.224 10 30 DEEERN CCOS(=O)(=O)/C=C/[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000384345918 529088152 /nfs/dbraw/zinc/08/81/52/529088152.db2.gz ZAUDTJMQKKDGEU-UQSGXBNBSA-N 0 0 305.396 2.266 10 30 DEEERN CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000376370687 529283431 /nfs/dbraw/zinc/28/34/31/529283431.db2.gz RMUIHHQTZUGOBT-OIISXLGYSA-N 0 0 319.449 2.171 10 30 DEEERN CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)C[C@H](C)O1 ZINC000328864972 529345623 /nfs/dbraw/zinc/34/56/23/529345623.db2.gz GHZVQFJLGUHUTO-XTWPYSKKSA-N 0 0 309.410 2.297 10 30 DEEERN COc1ccc([C@H](CO)CNC(=O)c2sccc2C#N)cc1 ZINC000458241375 536919735 /nfs/dbraw/zinc/91/97/35/536919735.db2.gz KQKLZQPXBIVJLW-ZDUSSCGKSA-N 0 0 316.382 2.134 10 30 DEEERN CC(C)(C)c1noc(CCC(=O)OCC2(C#N)CCOCC2)n1 ZINC000183986286 625323275 /nfs/dbraw/zinc/32/32/75/625323275.db2.gz BUTJBVYXVVKSBT-UHFFFAOYSA-N 0 0 321.377 2.163 10 30 DEEERN C#CC[C@H](OC(=O)/C=C/c1cncc(C(=O)NC)c1)C(C)(C)C ZINC000159781944 625365002 /nfs/dbraw/zinc/36/50/02/625365002.db2.gz QTQJDLSPNOVCTC-HVHJFMEUSA-N 0 0 314.385 2.436 10 30 DEEERN Oc1ccc(/C=N\C2CCN(c3ccccn3)CC2)c(O)c1O ZINC000254991581 622891052 /nfs/dbraw/zinc/89/10/52/622891052.db2.gz MXJLHXPOOQFXDO-ODLFYWEKSA-N 0 0 313.357 2.286 10 30 DEEERN COCCCNC(=O)C(C#N)=C(O)C=Cc1ccccc1Cl ZINC000255737497 625645696 /nfs/dbraw/zinc/64/56/96/625645696.db2.gz OFFHLXYPBSWWCY-WSROAFLRSA-N 0 0 320.776 2.215 10 30 DEEERN C#Cc1cccc(N(C)CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)c1 ZINC000255080261 623412732 /nfs/dbraw/zinc/41/27/32/623412732.db2.gz BIPVVYSNAMARPO-AWEZNQCLSA-N 0 0 322.412 2.332 10 30 DEEERN C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCOC[C@H]1C ZINC000289308958 623606136 /nfs/dbraw/zinc/60/61/36/623606136.db2.gz AKZOFDIGWQBADN-LLVKDONJSA-N 0 0 319.796 2.405 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCCCSc1nccs1 ZINC000176067828 624608294 /nfs/dbraw/zinc/60/82/94/624608294.db2.gz KVTOUNZJHKIITR-UHFFFAOYSA-N 0 0 306.416 2.265 10 30 DEEERN C#CC[C@H](OC(=O)/C=C/c1cncc(C(=O)NC)c1)C(C)C ZINC000177738673 625074175 /nfs/dbraw/zinc/07/41/75/625074175.db2.gz SGMKWYBECFVEPN-KIUWMYQTSA-N 0 0 300.358 2.046 10 30 DEEERN Cc1nn(C)c(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)c1C#N ZINC000892617930 625199163 /nfs/dbraw/zinc/19/91/63/625199163.db2.gz FDNOEXZGUMSNBB-KSSFIOAISA-N 0 0 322.368 2.279 10 30 DEEERN COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccn(C)c1C ZINC000194887318 625753096 /nfs/dbraw/zinc/75/30/96/625753096.db2.gz JADHMKYRONSIBC-CYBMUJFWSA-N 0 0 311.341 2.303 10 30 DEEERN C#CCN(CC)C(=O)N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000733652936 633258399 /nfs/dbraw/zinc/25/83/99/633258399.db2.gz ANXUCNFFUJMPLJ-CQSZACIVSA-N 0 0 323.437 2.441 10 30 DEEERN C=C(COC(=O)c1ccccc1[S@](=O)CC)C(=O)OCC ZINC000734026928 633312882 /nfs/dbraw/zinc/31/28/82/633312882.db2.gz FMESETPJSMPWRS-OAQYLSRUSA-N 0 0 310.371 2.090 10 30 DEEERN C=C(COC(=O)c1oc2c(c1C)C(=O)CCC2)C(=O)OCC ZINC000734026946 633312984 /nfs/dbraw/zinc/31/29/84/633312984.db2.gz LAPIEUCPGVNRMV-UHFFFAOYSA-N 0 0 306.314 2.383 10 30 DEEERN C=C(COC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)OCC ZINC000734029674 633313130 /nfs/dbraw/zinc/31/31/30/633313130.db2.gz QCCDPILPHZBXBI-UHFFFAOYSA-N 0 0 314.341 2.457 10 30 DEEERN C=C(COC(=O)c1cn(-c2ccccc2)nc1C)C(=O)OCC ZINC000734029990 633313801 /nfs/dbraw/zinc/31/38/01/633313801.db2.gz OXMISRRJUBTXKW-UHFFFAOYSA-N 0 0 314.341 2.457 10 30 DEEERN Cc1ccccc1OCCCC(=O)[C@H](C#N)C(=O)N1CCCC1 ZINC000124792356 633416792 /nfs/dbraw/zinc/41/67/92/633416792.db2.gz MBESDPRIWOXEGN-HNNXBMFYSA-N 0 0 314.385 2.485 10 30 DEEERN C[C@H](C#N)CNC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000251950826 636276974 /nfs/dbraw/zinc/27/69/74/636276974.db2.gz VDPPGWHVCWRMME-FRRDWIJNSA-N 0 0 324.425 2.233 10 30 DEEERN COC(=O)Cc1ccc(OC(=O)Cc2cccc(C#N)c2)cc1 ZINC000749310684 637545099 /nfs/dbraw/zinc/54/50/99/637545099.db2.gz DIJFVTBXSDFZNC-UHFFFAOYSA-N 0 0 309.321 2.422 10 30 DEEERN C#CCCCOC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000727040747 637594655 /nfs/dbraw/zinc/59/46/55/637594655.db2.gz PVQSORCQRAYYLN-HNNXBMFYSA-N 0 0 301.342 2.374 10 30 DEEERN C=C(COC(=O)c1cc(=O)[nH]c2cc(F)ccc21)C(=O)OCC ZINC000740256179 637830315 /nfs/dbraw/zinc/83/03/15/637830315.db2.gz UDWCJEQLDUPDDD-UHFFFAOYSA-N 0 0 319.288 2.356 10 30 DEEERN N#CCCN(CC1CC1)Cn1nnn(-c2ccccc2)c1=S ZINC000103459667 637874404 /nfs/dbraw/zinc/87/44/04/637874404.db2.gz NEOBZKPJZBCROU-UHFFFAOYSA-N 0 0 314.418 2.381 10 30 DEEERN C=CCOCC(=O)Oc1ccc(OCc2nc(CC)no2)cc1 ZINC000741626143 637999054 /nfs/dbraw/zinc/99/90/54/637999054.db2.gz SGRGWVHVQHKGOT-UHFFFAOYSA-N 0 0 318.329 2.319 10 30 DEEERN C[C@@H]1CCC[C@@H](CNc2ccc(S(N)(=O)=O)cc2C#N)C1 ZINC000742395769 638066539 /nfs/dbraw/zinc/06/65/39/638066539.db2.gz JYTHKWFRSVOATE-VXGBXAGGSA-N 0 0 307.419 2.444 10 30 DEEERN COc1ccc(CNC(=O)C(=O)c2ccc(C)cc2)cc1C#N ZINC000746671071 638368517 /nfs/dbraw/zinc/36/85/17/638368517.db2.gz VNQVYNZODMTKLD-UHFFFAOYSA-N 0 0 308.337 2.374 10 30 DEEERN COc1ccc(CNC(=O)N[C@@H](C)C2CCOCC2)cc1C#N ZINC000746746983 638374465 /nfs/dbraw/zinc/37/44/65/638374465.db2.gz CMXIIOYSYMRHMN-LBPRGKRZSA-N 0 0 317.389 2.181 10 30 DEEERN COc1ccc(CNC(=O)NCc2ccccc2O)cc1C#N ZINC000746768091 638376434 /nfs/dbraw/zinc/37/64/34/638376434.db2.gz HTSJZSNDHGTBAC-UHFFFAOYSA-N 0 0 311.341 2.272 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)c1cc(N)cc(Cl)c1Cl ZINC000747022807 638399212 /nfs/dbraw/zinc/39/92/12/638399212.db2.gz QFJLQJVRGZHILT-ZETCQYMHSA-N 0 0 317.172 2.423 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccnc(C)n1 ZINC000804937936 638425692 /nfs/dbraw/zinc/42/56/92/638425692.db2.gz MVIVZEHTZBHSEJ-INIZCTEOSA-N 0 0 308.385 2.219 10 30 DEEERN COC[C@H]1CCCN(C(=O)NCc2ccc(OC)c(C#N)c2)C1 ZINC000747430456 638436210 /nfs/dbraw/zinc/43/62/10/638436210.db2.gz BDVUNLKYPMSHFE-AWEZNQCLSA-N 0 0 317.389 2.135 10 30 DEEERN CNc1snc(C)c1C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747443643 638437413 /nfs/dbraw/zinc/43/74/13/638437413.db2.gz JLBMYPFIWQNTCR-UHFFFAOYSA-N 0 0 316.386 2.304 10 30 DEEERN C=CC[C@H](NC(=O)NC1CCC(C(N)=O)CC1)c1ccncc1 ZINC000747582623 638452550 /nfs/dbraw/zinc/45/25/50/638452550.db2.gz DBTHLFJMXDIPBX-NRXISQOPSA-N 0 0 316.405 2.042 10 30 DEEERN N#Cc1cccc(CC(=O)NC[C@@H](O)c2c(F)cccc2F)c1 ZINC000749538242 638658447 /nfs/dbraw/zinc/65/84/47/638658447.db2.gz MUBRJDRQTFWFIK-OAHLLOKOSA-N 0 0 316.307 2.229 10 30 DEEERN C=CC[C@H](NC(=O)C(=O)Nc1cc(CC)on1)c1ccncc1 ZINC000749727136 638674904 /nfs/dbraw/zinc/67/49/04/638674904.db2.gz VXXVIYBDNRKAHO-ZDUSSCGKSA-N 0 0 314.345 2.004 10 30 DEEERN C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)Cc1cccc(C#N)c1 ZINC000750432965 638744966 /nfs/dbraw/zinc/74/49/66/638744966.db2.gz RBNINJDCLRYRHB-CJNGLKHVSA-N 0 0 314.385 2.339 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)Cc1cccc(C#N)c1 ZINC000750432586 638744999 /nfs/dbraw/zinc/74/49/99/638744999.db2.gz HRMKWSSMHQMIPU-CQSZACIVSA-N 0 0 314.385 2.457 10 30 DEEERN C[C@H](OC(=O)Cc1cccc(C#N)c1)C(=O)NCc1ccccc1 ZINC000750433143 638745143 /nfs/dbraw/zinc/74/51/43/638745143.db2.gz UISLCZBZRYDPGS-AWEZNQCLSA-N 0 0 322.364 2.349 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=S)NCCOCC ZINC000751008061 639053636 /nfs/dbraw/zinc/05/36/36/639053636.db2.gz RZCYRVYSGDRKBS-UHFFFAOYSA-N 0 0 323.418 2.494 10 30 DEEERN C#CCCCOC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000751539724 639093060 /nfs/dbraw/zinc/09/30/60/639093060.db2.gz DNLORYVXJQCBFD-VIFPVBQESA-N 0 0 300.280 2.490 10 30 DEEERN C=CCNC(=O)[C@@H](C)OC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000752355330 639174849 /nfs/dbraw/zinc/17/48/49/639174849.db2.gz QJNUHBNPZNEWRN-NLYDNYMLSA-N 0 0 318.329 2.232 10 30 DEEERN CCOC(=O)[C@@H](CC1CC1)NC(=O)c1cccc(CC#N)c1 ZINC000752386793 639179787 /nfs/dbraw/zinc/17/97/87/639179787.db2.gz ICUFZGRVIKZYFU-OAHLLOKOSA-N 0 0 300.358 2.214 10 30 DEEERN CCCCC[C@H](NC(=O)Cc1cccc(C#N)c1)C(=O)OC ZINC000752438578 639184585 /nfs/dbraw/zinc/18/45/85/639184585.db2.gz MLOLSHAVCQVKAN-HNNXBMFYSA-N 0 0 302.374 2.339 10 30 DEEERN C#Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cn1 ZINC000728802422 639405874 /nfs/dbraw/zinc/40/58/74/639405874.db2.gz RITOKPAEDYWQAY-UHFFFAOYSA-N 0 0 305.337 2.207 10 30 DEEERN C#CCNC(=O)[C@H](C)OC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000023292170 639608114 /nfs/dbraw/zinc/60/81/14/639608114.db2.gz QCAZWRKDMHDLNI-ZDUSSCGKSA-N 0 0 317.385 2.044 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)C(C)(C)C ZINC000805148859 639848662 /nfs/dbraw/zinc/84/86/62/639848662.db2.gz OEWJNVAOJWIOFF-ZDUSSCGKSA-N 0 0 310.375 2.229 10 30 DEEERN C#CCCCNC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805159766 639914117 /nfs/dbraw/zinc/91/41/17/639914117.db2.gz NQLZGGDMBMWSRH-STQMWFEESA-N 0 0 309.410 2.097 10 30 DEEERN Brc1cnn(N=Cc2cc(-c3cccnc3)n[nH]2)c1 ZINC000752748090 640056812 /nfs/dbraw/zinc/05/68/12/640056812.db2.gz UAUIEPALOVSBHH-UHFFFAOYSA-N 0 0 317.150 2.313 10 30 DEEERN C=CCCCCCCNC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000805221905 640296550 /nfs/dbraw/zinc/29/65/50/640296550.db2.gz YAGXHMVRPPUDCZ-UHFFFAOYSA-N 0 0 324.446 2.461 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1noc(C2CC2)n1 ZINC000805243544 640414347 /nfs/dbraw/zinc/41/43/47/640414347.db2.gz ZTNDMUMZVKUTRN-HNNXBMFYSA-N 0 0 324.384 2.381 10 30 DEEERN C=CCOCC(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000729345146 640489204 /nfs/dbraw/zinc/48/92/04/640489204.db2.gz KPBIUQNSJIULBV-ZDUSSCGKSA-N 0 0 302.374 2.193 10 30 DEEERN Cn1c(=O)c2ccccc2nc1NN=Cc1cnn2ccccc12 ZINC000729635381 640817405 /nfs/dbraw/zinc/81/74/05/640817405.db2.gz QRYHQXNYKYFBJJ-UHFFFAOYSA-N 0 0 318.340 2.027 10 30 DEEERN C#C[C@H](C)OC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000805886553 643716549 /nfs/dbraw/zinc/71/65/49/643716549.db2.gz DAKWGFHWIFUOLS-RRFJBIMHSA-N 0 0 301.386 2.474 10 30 DEEERN C=C(C)[C@H](CC(=O)O[C@@H](C)C(=O)NCc1ccccn1)OCC ZINC000805953080 643941993 /nfs/dbraw/zinc/94/19/93/643941993.db2.gz JGHFSWOUHZVKIT-ZFWWWQNUSA-N 0 0 320.389 2.001 10 30 DEEERN C=C[C@@H](C(=O)OC)N1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000800379260 645263453 /nfs/dbraw/zinc/26/34/53/645263453.db2.gz OUIRABUXPHYDPP-MJBXVCDLSA-N 0 0 324.421 2.188 10 30 DEEERN C#CCCNC(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C ZINC000800888438 645317272 /nfs/dbraw/zinc/31/72/72/645317272.db2.gz DBVPYNQLRHICMQ-GFCCVEGCSA-N 0 0 312.822 2.295 10 30 DEEERN Cc1nn(C)c(Br)c1C(=O)Nc1cc(C#N)ccn1 ZINC000800954274 645324500 /nfs/dbraw/zinc/32/45/00/645324500.db2.gz BCEDZKKAZRTIMD-UHFFFAOYSA-N 0 0 320.150 2.010 10 30 DEEERN CC#CC(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F ZINC000801216193 645353649 /nfs/dbraw/zinc/35/36/49/645353649.db2.gz PKVXMEISEWFYAQ-UHFFFAOYSA-N 0 0 310.275 2.490 10 30 DEEERN C#CCC[C@H](O)CNC(=O)Nc1ncc(C(F)(F)F)s1 ZINC000801755917 645437076 /nfs/dbraw/zinc/43/70/76/645437076.db2.gz XADPSEIQWDQGKS-ZETCQYMHSA-N 0 0 307.297 2.058 10 30 DEEERN N#CCc1ccccc1CC(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000802622451 645537791 /nfs/dbraw/zinc/53/77/91/645537791.db2.gz FPZAHHSRYLFXGZ-UHFFFAOYSA-N 0 0 324.355 2.164 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000803699418 645681700 /nfs/dbraw/zinc/68/17/00/645681700.db2.gz BUKGRTIEHNTTFR-CYBMUJFWSA-N 0 0 315.344 2.036 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000803701613 645682748 /nfs/dbraw/zinc/68/27/48/645682748.db2.gz ZCNVOSBGTRBGLA-WBVHZDCISA-N 0 0 315.413 2.374 10 30 DEEERN Cc1cc(C#N)nc(N(C)CC(=O)Nc2ccccc2Cl)n1 ZINC000804323180 645754907 /nfs/dbraw/zinc/75/49/07/645754907.db2.gz FKZMFHOWDNSBMR-UHFFFAOYSA-N 0 0 315.764 2.385 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC000804452684 645773369 /nfs/dbraw/zinc/77/33/69/645773369.db2.gz KZGJVHOYZYHDOB-SJORKVTESA-N 0 0 307.397 2.196 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cncc(C(=O)OC)c1 ZINC000804459051 645774054 /nfs/dbraw/zinc/77/40/54/645774054.db2.gz QCTVGRROMWNHNW-QGZVFWFLSA-N 0 0 322.364 2.233 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 ZINC000806505101 645838426 /nfs/dbraw/zinc/83/84/26/645838426.db2.gz JDHBPPQVYJWUAX-UHFFFAOYSA-N 0 0 318.376 2.498 10 30 DEEERN C=CCN(C(=O)C(=O)Nc1cccc(C(C)(C)O)c1)C(C)C ZINC000807000675 645898936 /nfs/dbraw/zinc/89/89/36/645898936.db2.gz WGFCELNZFPZKQQ-UHFFFAOYSA-N 0 0 304.390 2.276 10 30 DEEERN C#CC[C@@H](NC(=O)NC[C@H](CO)c1cccnc1)c1ccccc1 ZINC000807029058 645902053 /nfs/dbraw/zinc/90/20/53/645902053.db2.gz BZTSUAMQUQLULJ-QZTJIDSGSA-N 0 0 323.396 2.221 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](CO)CC=C ZINC000807465310 645953484 /nfs/dbraw/zinc/95/34/84/645953484.db2.gz ATKZKUPKSJZXLU-IAGOWNOFSA-N 0 0 300.402 2.105 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](CO)C(C)C ZINC000807470086 645954455 /nfs/dbraw/zinc/95/44/55/645954455.db2.gz NYHHKQAHPUSQDY-SJORKVTESA-N 0 0 302.418 2.185 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CCO)C1 ZINC000807469026 645954624 /nfs/dbraw/zinc/95/46/24/645954624.db2.gz FCLURSAGUWDOBX-ROUUACIJSA-N 0 0 314.429 2.425 10 30 DEEERN C#CCN(C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1)C1CCCC1 ZINC000163926900 646409547 /nfs/dbraw/zinc/40/95/47/646409547.db2.gz VABLTSPPNGSTCO-CQSZACIVSA-N 0 0 323.400 2.306 10 30 DEEERN CNS(=O)(=O)c1cccc(C(=O)/C=C/c2cccnc2C)c1 ZINC000171419349 646700895 /nfs/dbraw/zinc/70/08/95/646700895.db2.gz ZNFVAULEWSUITE-CMDGGOBGSA-N 0 0 316.382 2.194 10 30 DEEERN C#CCCCNC(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000172929866 646754880 /nfs/dbraw/zinc/75/48/80/646754880.db2.gz COUHQYICIHOYAJ-HNNXBMFYSA-N 0 0 322.355 2.249 10 30 DEEERN C#CCCCNC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000174126760 646791771 /nfs/dbraw/zinc/79/17/71/646791771.db2.gz QTEYORWCUGCBKB-ZIAGYGMSSA-N 0 0 323.437 2.392 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000730280531 646887238 /nfs/dbraw/zinc/88/72/38/646887238.db2.gz VTBWFSFNAFHEEY-SZMVWBNQSA-N 0 0 312.413 2.073 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)NCCCCOCc1ccccc1 ZINC000730281943 646890339 /nfs/dbraw/zinc/89/03/39/646890339.db2.gz ZJDQDMIOBOYGQH-SFHVURJKSA-N 0 0 314.429 2.197 10 30 DEEERN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](C#N)C2CC2)c1 ZINC000174727301 646973136 /nfs/dbraw/zinc/97/31/36/646973136.db2.gz AGYUMIWJRTZIHN-AWEZNQCLSA-N 0 0 324.377 2.040 10 30 DEEERN N#CCCN(C(=O)COC(=O)C1=COCCC1)c1ccccc1 ZINC000730850313 647420055 /nfs/dbraw/zinc/42/00/55/647420055.db2.gz DHYOLDQIHKWOQA-UHFFFAOYSA-N 0 0 314.341 2.171 10 30 DEEERN C#CCOc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2)cc1 ZINC000731012073 647439812 /nfs/dbraw/zinc/43/98/12/647439812.db2.gz DIBKZKDXRSECIX-CQSZACIVSA-N 0 0 322.364 2.456 10 30 DEEERN N#C[C@@H]1CN(C(=O)CSc2ccc(F)cc2)CCN1C1CC1 ZINC000732649076 647635872 /nfs/dbraw/zinc/63/58/72/647635872.db2.gz ONQNZJRJWKIAIW-CQSZACIVSA-N 0 0 319.405 2.117 10 30 DEEERN N#Cc1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064241086 648036548 /nfs/dbraw/zinc/03/65/48/648036548.db2.gz PWQHUBSQQVZFBU-UHFFFAOYSA-N 0 0 310.312 2.296 10 30 DEEERN C#CCCCCNC(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000154893580 648125943 /nfs/dbraw/zinc/12/59/43/648125943.db2.gz PBGBAOZDYLEOJK-OAHLLOKOSA-N 0 0 321.465 2.372 10 30 DEEERN CC(C)(C#N)COC(=O)CCc1nc(-c2ccncc2)no1 ZINC000180142237 648467245 /nfs/dbraw/zinc/46/72/45/648467245.db2.gz QOFYMKYGWZEIGY-UHFFFAOYSA-N 0 0 300.318 2.157 10 30 DEEERN C#CC[C@@H](OC(=O)c1ccnc(O[C@@H]2CCOC2)c1)C(C)C ZINC000183649465 649128221 /nfs/dbraw/zinc/12/82/21/649128221.db2.gz YSZVKUVKVUWYND-HUUCEWRRSA-N 0 0 303.358 2.454 10 30 DEEERN CCc1noc2ncc(C(=O)OCC3(C#N)CCOCC3)cc12 ZINC000183926997 649203089 /nfs/dbraw/zinc/20/30/89/649203089.db2.gz FBUBMOZKHOVGSM-UHFFFAOYSA-N 0 0 315.329 2.262 10 30 DEEERN Cc1c(C(=O)OCC2(C#N)CCOCC2)cnn1CC(C)C ZINC000183979430 649214452 /nfs/dbraw/zinc/21/44/52/649214452.db2.gz GSWKCVMHUFXGAM-UHFFFAOYSA-N 0 0 305.378 2.325 10 30 DEEERN CC(C)(CC#N)COC(=O)CCS(=O)(=O)C1CCCC1 ZINC000184757115 649368987 /nfs/dbraw/zinc/36/89/87/649368987.db2.gz IHBROVQHUOEWTG-UHFFFAOYSA-N 0 0 301.408 2.217 10 30 DEEERN C#CCCNC(=O)c1cc(F)ccc1I ZINC000733247034 649463318 /nfs/dbraw/zinc/46/33/18/649463318.db2.gz WJIAMPMWARBAII-UHFFFAOYSA-N 0 0 317.101 2.183 10 30 DEEERN C#CCCNC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000733247115 649463421 /nfs/dbraw/zinc/46/34/21/649463421.db2.gz KRAZBQBKAOFXQZ-UHFFFAOYSA-N 0 0 318.174 2.388 10 30 DEEERN C#CCCNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000733287712 649537364 /nfs/dbraw/zinc/53/73/64/649537364.db2.gz NPAJHAXJZDKOBN-QGZVFWFLSA-N 0 0 306.365 2.297 10 30 DEEERN C#CCCNC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000733335081 649545640 /nfs/dbraw/zinc/54/56/40/649545640.db2.gz IOQRCLJYXAWACN-UHFFFAOYSA-N 0 0 308.765 2.324 10 30 DEEERN CC(C)NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109184811 651868903 /nfs/dbraw/zinc/86/89/03/651868903.db2.gz WETIIWJSBLTQTC-GRYCIOLGSA-N 0 0 306.312 2.302 10 30 DEEERN C=CCN(CC(=O)OCC)S(=O)(=O)c1ccc(CC)s1 ZINC000110055653 652166692 /nfs/dbraw/zinc/16/66/92/652166692.db2.gz AROBAGOLLUCDJF-UHFFFAOYSA-N 0 0 317.432 2.050 10 30 DEEERN COc1ccccc1[C@@H](O)C/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000032075014 683878049 /nfs/dbraw/zinc/87/80/49/683878049.db2.gz ZSZYUPDPNXRPTF-ZUZCKIMGSA-N 0 0 316.313 2.462 10 30 DEEERN N#CC(C(=O)CN1C(=O)CSc2ccccc21)c1ccccn1 ZINC000041493266 683890925 /nfs/dbraw/zinc/89/09/25/683890925.db2.gz QHNZOTXYKIMNGN-LBPRGKRZSA-N 0 0 323.377 2.397 10 30 DEEERN C[C@H](NC(=O)c1ccco1)C(=O)[C@@H](C#N)c1nc2ccccc2o1 ZINC000041546646 683891675 /nfs/dbraw/zinc/89/16/75/683891675.db2.gz NWBPYCXWEQZRSM-WDEREUQCSA-N 0 0 323.308 2.416 10 30 DEEERN C#CCSCCNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000122015164 684111790 /nfs/dbraw/zinc/11/17/90/684111790.db2.gz HUVVYTLVHGXXGW-UHFFFAOYSA-N 0 0 320.389 2.049 10 30 DEEERN COc1ccccc1[C@@H](O)CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000133095129 684216415 /nfs/dbraw/zinc/21/64/15/684216415.db2.gz ZFOMBSJBJHWQHM-LBPRGKRZSA-N 0 0 314.301 2.016 10 30 DEEERN C#C[C@H](OC(=O)CCc1ccc(S(=O)(=O)CC)cc1)C1CC1 ZINC000134196010 684226456 /nfs/dbraw/zinc/22/64/56/684226456.db2.gz QLBLGVGRZJKJJV-INIZCTEOSA-N 0 0 320.410 2.368 10 30 DEEERN C[C@@H](NC(=O)Nc1ccc(F)cc1OCC#N)[C@@H]1CCCO1 ZINC000135335173 684234810 /nfs/dbraw/zinc/23/48/10/684234810.db2.gz NDIZYPYHFDYDNG-MFKMUULPSA-N 0 0 307.325 2.417 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCC1([C@H](O)c2ccccc2)CC1 ZINC000155905444 684282000 /nfs/dbraw/zinc/28/20/00/684282000.db2.gz WASVLUPQRYYJFJ-MRXNPFEDSA-N 0 0 309.369 2.140 10 30 DEEERN C=C[C@@H](C)OC(=O)c1ccc(N2CCCS2(=O)=O)cc1C ZINC000187507284 684338958 /nfs/dbraw/zinc/33/89/58/684338958.db2.gz FZLJODSGYQSZEG-GFCCVEGCSA-N 0 0 309.387 2.266 10 30 DEEERN C=CC[C@@]1(C(=O)N[C@H]2CCOC2)CCCN1C(=O)OC(C)(C)C ZINC000189715216 684386549 /nfs/dbraw/zinc/38/65/49/684386549.db2.gz QWFKGDDGXFYEOP-GUYCJALGSA-N 0 0 324.421 2.237 10 30 DEEERN C[C@H](C#N)CNC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C ZINC000252443332 685193148 /nfs/dbraw/zinc/19/31/48/685193148.db2.gz REWNZHRSMDXONE-CKYFFXLPSA-N 0 0 303.337 2.310 10 30 DEEERN C[N+](C)(C)c1ccc(C=Nc2cccc3c(=O)[nH][n-]c(=O)c23)cc1 ZINC000254608273 717170607 /nfs/dbraw/zinc/17/06/07/717170607.db2.gz XDMFZIGZQISUSB-UHFFFAOYSA-O 0 0 323.376 2.164 10 30 DEEERN N#Cc1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)c(F)c1 ZINC000588405713 777081623 /nfs/dbraw/zinc/08/16/23/777081623.db2.gz MHFYEJXTDBQRPK-UTCJRWHESA-N 0 0 312.300 2.438 10 30 DEEERN C#CC[C@@H](OC(=O)/C=C\c1cncc(C(=O)NC)c1)C(C)(C)C ZINC000588540036 777374408 /nfs/dbraw/zinc/37/44/08/777374408.db2.gz QTQJDLSPNOVCTC-WHLNPGIBSA-N 0 0 314.385 2.436 10 30 DEEERN C#Cc1ccc(C(=O)N2CCN(c3cccc(F)c3)CC2)cn1 ZINC000728812495 778489974 /nfs/dbraw/zinc/48/99/74/778489974.db2.gz BUJUMGDVZIHQGC-UHFFFAOYSA-N 0 0 309.344 2.164 10 30 DEEERN CC(C)(C)OC(=O)N1C[C@@H](NCc2cc(C#N)cs2)CO1 ZINC000722488386 778739420 /nfs/dbraw/zinc/73/94/20/778739420.db2.gz BGGOLOZXSBBCEU-LLVKDONJSA-N 0 0 309.391 2.260 10 30 DEEERN COc1ccc(CNC(=O)c2ccccc2OCC#N)cc1C#N ZINC000746924235 786545088 /nfs/dbraw/zinc/54/50/88/786545088.db2.gz VQOZSWUPBWJDTO-UHFFFAOYSA-N 0 0 321.336 2.399 10 30 DEEERN C#CC[C@H](COC)NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000716890110 793019890 /nfs/dbraw/zinc/01/98/90/793019890.db2.gz VZCRIQWIPUTOEK-LLVKDONJSA-N 0 0 322.213 2.310 10 30 DEEERN C#CCCCCNC(=O)CCN1C(=O)CCc2cc(F)ccc21 ZINC000156391087 796714628 /nfs/dbraw/zinc/71/46/28/796714628.db2.gz MICRXHPKJWSOLC-UHFFFAOYSA-N 0 0 316.376 2.415 10 30 DEEERN N#C[C@]1(F)CCN(C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000800014798 799296102 /nfs/dbraw/zinc/29/61/02/799296102.db2.gz DQBQIXOHZPXIMK-DZGCQCFKSA-N 0 0 307.756 2.454 10 30 DEEERN O=C(CC(F)(F)C(F)(F)F)NCC[C@@H](O)C(F)(F)F ZINC000717400631 799402095 /nfs/dbraw/zinc/40/20/95/799402095.db2.gz MUVMQVOARTYFLX-SCSAIBSYSA-N 0 0 303.149 2.004 10 30 DEEERN Cc1cc(C#N)cc(NCc2cn(C)nc2Br)n1 ZINC000720672173 1085841731 /nfs/dbraw/zinc/84/17/31/1085841731.db2.gz BAERSTYNLQHZJN-UHFFFAOYSA-N 0 0 306.167 2.370 10 30 DEEERN Cn1c(CNC(=O)Nc2cccc(C#N)c2)nnc1C1CCC1 ZINC000136128108 282084293 /nfs/dbraw/zinc/08/42/93/282084293.db2.gz YLFMMPIUZFZGDC-UHFFFAOYSA-N 0 0 310.361 2.276 10 30 DEEERN Cn1nccc1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000076545351 185021246 /nfs/dbraw/zinc/02/12/46/185021246.db2.gz MTAZHTAXXDGSLO-UHFFFAOYSA-N 0 0 321.287 2.215 10 30 DEEERN C=CCCCN(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000076650261 185028680 /nfs/dbraw/zinc/02/86/80/185028680.db2.gz UVRYUWNNOGGSBF-UHFFFAOYSA-N 0 0 315.329 2.475 10 30 DEEERN C=CCn1c(-c2ccccn2)nnc1N1CCO[C@H](CCF)C1 ZINC000624812457 365557784 /nfs/dbraw/zinc/55/77/84/365557784.db2.gz PWYMVQXERCZKOF-CYBMUJFWSA-N 0 0 317.368 2.091 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCCC2(CC2)CC1 ZINC000624831221 365564360 /nfs/dbraw/zinc/56/43/60/365564360.db2.gz LOJSXTUAVFTANR-AWEZNQCLSA-N 0 0 318.421 2.323 10 30 DEEERN C=CCn1c(-c2cccc(C)n2)nnc1N1CC2(C1)CCCO2 ZINC000624836966 365566407 /nfs/dbraw/zinc/56/64/07/365566407.db2.gz YQRRDPZLKUKQSL-UHFFFAOYSA-N 0 0 311.389 2.204 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000278377419 214126794 /nfs/dbraw/zinc/12/67/94/214126794.db2.gz LHAFIMDYZIQMAA-OAHLLOKOSA-N 0 0 319.453 2.305 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCCOc1cccc(C)c1C ZINC000278393242 214138838 /nfs/dbraw/zinc/13/88/38/214138838.db2.gz AGHFUKHXPKTYLG-OAHLLOKOSA-N 0 0 306.406 2.309 10 30 DEEERN C=C(C)Cn1c([C@H](C)CC)nnc1N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000624981231 365606219 /nfs/dbraw/zinc/60/62/19/365606219.db2.gz SQESGYYMSPWQNA-UPJWGTAASA-N 0 0 305.426 2.068 10 30 DEEERN C=CCCCN(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000163110162 197612387 /nfs/dbraw/zinc/61/23/87/197612387.db2.gz VQOZGFDDDPCLFE-UHFFFAOYSA-N 0 0 312.391 2.365 10 30 DEEERN C=C(C)CN(C)S(=O)(=O)C[C@H](OC)c1ccc(F)cc1 ZINC000625115853 365649634 /nfs/dbraw/zinc/64/96/34/365649634.db2.gz XSKZYECUSCUHHN-AWEZNQCLSA-N 0 0 301.383 2.351 10 30 DEEERN C#CC[C@H](C)NC(=O)c1sc(N2CCCCCC2)nc1N ZINC000163545836 197637945 /nfs/dbraw/zinc/63/79/45/197637945.db2.gz MILJCTHUITWAMT-NSHDSACASA-N 0 0 306.435 2.247 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cc(C)cc(OC)c1 ZINC000612836387 361928088 /nfs/dbraw/zinc/92/80/88/361928088.db2.gz ZXXDYYHVVZQXFB-MRXNPFEDSA-N 0 0 304.390 2.091 10 30 DEEERN C=CCCCN(C)c1nnc([C@@H]2COCCO2)n1CC1CC1 ZINC000612889430 361942441 /nfs/dbraw/zinc/94/24/41/361942441.db2.gz ZJDCEXHIYZHFDN-AWEZNQCLSA-N 0 0 306.410 2.178 10 30 DEEERN N#Cc1ccc(NC(=O)c2ccc(N3CCNC3=O)cc2)cc1 ZINC000082338791 185176260 /nfs/dbraw/zinc/17/62/60/185176260.db2.gz IGLYLWUONYKUHQ-UHFFFAOYSA-N 0 0 306.325 2.340 10 30 DEEERN CCc1nnsc1C(=O)Nc1cc(C#CCO)ccc1C ZINC000087456315 185225694 /nfs/dbraw/zinc/22/56/94/185225694.db2.gz DKYOFEXRRVCJRC-UHFFFAOYSA-N 0 0 301.371 2.005 10 30 DEEERN COC1=CC(=O)C(OC)[C@@H](O)[C@H]1C(=O)C=Cc1ccccc1 ZINC000087492969 185226632 /nfs/dbraw/zinc/22/66/32/185226632.db2.gz VADQFSASSSGAFZ-FHQWLQQXSA-N 0 0 302.326 2.206 10 30 DEEERN CSc1nn(-c2ccc(Br)cn2)c(N)c1C#N ZINC000087846757 185233118 /nfs/dbraw/zinc/23/31/18/185233118.db2.gz HNHRKRXURMVQOD-UHFFFAOYSA-N 0 0 310.180 2.206 10 30 DEEERN C[C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(N)cc1C#N ZINC000088506980 185254275 /nfs/dbraw/zinc/25/42/75/185254275.db2.gz CDBJGGUNAHRBAD-SMDDNHRTSA-N 0 0 307.419 2.388 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)NCC[C@H]2CCCO2)cc1 ZINC000613150708 362020009 /nfs/dbraw/zinc/02/00/09/362020009.db2.gz NVQWQQJNWUJXJA-OAHLLOKOSA-N 0 0 317.389 2.293 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc2c(cc1C)OCO2 ZINC000613370090 362092940 /nfs/dbraw/zinc/09/29/40/362092940.db2.gz DPYFWECZLOCNMJ-ZDUSSCGKSA-N 0 0 304.346 2.133 10 30 DEEERN C=CCNC(=O)NCC#CCOc1cccc(Br)c1 ZINC000090731383 185311694 /nfs/dbraw/zinc/31/16/94/185311694.db2.gz KMGLXNMFPCEUQH-UHFFFAOYSA-N 0 0 323.190 2.317 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000625328520 365731649 /nfs/dbraw/zinc/73/16/49/365731649.db2.gz WCWHWAITFAOTND-UHFFFAOYSA-N 0 0 322.434 2.157 10 30 DEEERN N#Cc1ccc(C(=O)N2CCC(Oc3cnccn3)CC2)cc1 ZINC000090678066 185309093 /nfs/dbraw/zinc/30/90/93/185309093.db2.gz QUSXYHRJOCYQIM-UHFFFAOYSA-N 0 0 308.341 2.032 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(C)n(C2CCOCC2)c1C ZINC000613489986 362126893 /nfs/dbraw/zinc/12/68/93/362126893.db2.gz TXTNLZGTSPBWSW-AWEZNQCLSA-N 0 0 306.406 2.123 10 30 DEEERN CCOC(=O)[C@@]1(CC)O[C@@]1(C)c1ccc(S(C)(=O)=O)cc1 ZINC000092597804 185328466 /nfs/dbraw/zinc/32/84/66/185328466.db2.gz GHQUYZGUTPFDDC-LSDHHAIUSA-N 0 0 312.387 2.047 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cnc(OC)c(Cl)c2)C1 ZINC000625355600 365745342 /nfs/dbraw/zinc/74/53/42/365745342.db2.gz SMLSBNTUSXPBTL-JTQLQIEISA-N 0 0 316.810 2.330 10 30 DEEERN CCc1nc(C(C)(C)NCCOc2ccccc2C#N)no1 ZINC000441246782 529714506 /nfs/dbraw/zinc/71/45/06/529714506.db2.gz PTZIPILUMCNSBF-UHFFFAOYSA-N 0 0 300.362 2.407 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCC1C[C@H](C)O[C@@H](C)C1 ZINC000614551633 362406501 /nfs/dbraw/zinc/40/65/01/362406501.db2.gz LCOONWDXQPYYBE-XEZPLFJOSA-N 0 0 310.438 2.167 10 30 DEEERN CN1C(=O)C[C@@H](C(=O)NCCCCC#N)[C@@H]1c1ccc(F)cc1 ZINC000179331611 530044495 /nfs/dbraw/zinc/04/44/95/530044495.db2.gz UTNIYASWPYIRJS-ZBFHGGJFSA-N 0 0 317.364 2.155 10 30 DEEERN C[C@H]1CN(C(=O)c2cc(C#N)cn2C)[C@H](c2ccccc2)CO1 ZINC000081550689 290758913 /nfs/dbraw/zinc/75/89/13/290758913.db2.gz NBUPMMCBXOFCKQ-GUYCJALGSA-N 0 0 309.369 2.499 10 30 DEEERN C=CCOc1ccccc1Cn1c(=O)[nH]c2ccccc2c1=O ZINC000111672640 185623866 /nfs/dbraw/zinc/62/38/66/185623866.db2.gz LMYDXWVASYHQBU-UHFFFAOYSA-N 0 0 308.337 2.303 10 30 DEEERN CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C)C[C@@H](C)O1 ZINC000246890479 282467688 /nfs/dbraw/zinc/46/76/88/282467688.db2.gz GMLAQVJAUAXFGT-TZMCWYRMSA-N 0 0 308.403 2.055 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1cc(C)ccc1F ZINC000615951711 362736937 /nfs/dbraw/zinc/73/69/37/362736937.db2.gz JHXNSJMJBIDLOV-INIZCTEOSA-N 0 0 306.381 2.264 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@@H](OC(C)C)C1 ZINC000625667846 365865087 /nfs/dbraw/zinc/86/50/87/365865087.db2.gz MWOZCKNARRZVBW-CQSZACIVSA-N 0 0 310.438 2.121 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1ccc(Nc2ccn(C)n2)cc1 ZINC000616098654 362772238 /nfs/dbraw/zinc/77/22/38/362772238.db2.gz ANABTHUCOLYABX-OAHLLOKOSA-N 0 0 314.389 2.221 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCOC[C@@H]1C ZINC000277636266 213651050 /nfs/dbraw/zinc/65/10/50/213651050.db2.gz ZELRZXXOBZXJJW-WCQYABFASA-N 0 0 306.337 2.384 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1COC[C@H]1c1ccccc1 ZINC000616409027 362849119 /nfs/dbraw/zinc/84/91/19/362849119.db2.gz GUQQLVKRFNRQHE-NXOAAHMSSA-N 0 0 301.386 2.124 10 30 DEEERN COc1ccc(C#CCCO)cc1NC(=O)[C@@H]1CCSC1 ZINC000070438010 190892422 /nfs/dbraw/zinc/89/24/22/190892422.db2.gz SKRUTZFJCLGBDH-CYBMUJFWSA-N 0 0 305.399 2.121 10 30 DEEERN CCCCCCCS(=O)(=O)N1CCCC[C@@]1(C)C(N)=O ZINC000195452370 282652962 /nfs/dbraw/zinc/65/29/62/282652962.db2.gz AYBNRCYBWHXUDU-AWEZNQCLSA-N 0 0 304.456 2.017 10 30 DEEERN COc1cc2c(c(OC)c1OC)C(C#N)N(CC(C)C)C2=O ZINC000071682233 191006475 /nfs/dbraw/zinc/00/64/75/191006475.db2.gz IGPDBQUDVKWPFN-NSHDSACASA-N 0 0 304.346 2.389 10 30 DEEERN COC(=O)[C@@H](C)N1C(=O)c2ccc(C(F)(F)F)cc2C1C#N ZINC000071680961 191006672 /nfs/dbraw/zinc/00/66/72/191006672.db2.gz ICYNSDLFQIAYEE-HQJQHLMTSA-N 0 0 312.247 2.287 10 30 DEEERN Cc1ccc(C#CCO)c(C(=O)N2CCS[C@@H](C)[C@H]2C)c1 ZINC000133656099 186004244 /nfs/dbraw/zinc/00/42/44/186004244.db2.gz PLUBTIKGLXQWPS-KGLIPLIRSA-N 0 0 303.427 2.305 10 30 DEEERN Cc1ccc(C(=O)N2CCS[C@@H](C)[C@@H]2C)cc1C#CCO ZINC000133649191 186003621 /nfs/dbraw/zinc/00/36/21/186003621.db2.gz ADZLJASDJZITKA-KBPBESRZSA-N 0 0 303.427 2.305 10 30 DEEERN N#CCCCS(=O)(=O)c1ccc(N)cc1Br ZINC000148321993 186043547 /nfs/dbraw/zinc/04/35/47/186043547.db2.gz ODIDBWOXLWKSQX-UHFFFAOYSA-N 0 0 303.181 2.109 10 30 DEEERN Cc1cccc(C(=O)NCc2sccc2C#CCCO)n1 ZINC000148595215 186045251 /nfs/dbraw/zinc/04/52/51/186045251.db2.gz KMHHWGHNCLNNFE-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN COc1ccc(CN2C(=O)N[C@H](CC(C)C)C2=O)cc1C#N ZINC000152701746 186098434 /nfs/dbraw/zinc/09/84/34/186098434.db2.gz MQPLMCCLXJUAEG-CYBMUJFWSA-N 0 0 301.346 2.033 10 30 DEEERN COc1ccc(CN(C)S(=O)(=O)c2cccs2)cc1C#N ZINC000152756765 186099371 /nfs/dbraw/zinc/09/93/71/186099371.db2.gz WRPBWQNUKCTFOS-UHFFFAOYSA-N 0 0 322.411 2.449 10 30 DEEERN N#Cc1ccc(C(F)(F)F)nc1NCC1(CO)CCOCC1 ZINC000164069896 186147878 /nfs/dbraw/zinc/14/78/78/186147878.db2.gz UWEZKMMTOCCEEP-UHFFFAOYSA-N 0 0 315.295 2.173 10 30 DEEERN Cc1nc(C)c(C(=O)NCc2ccc(C#CCCO)s2)o1 ZINC000159618014 186131242 /nfs/dbraw/zinc/13/12/42/186131242.db2.gz PHTAISPDLIVXQF-UHFFFAOYSA-N 0 0 304.371 2.017 10 30 DEEERN N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CNC(=O)C3)c2)cc1 ZINC000171513956 186171122 /nfs/dbraw/zinc/17/11/22/186171122.db2.gz GHEHVRWYPVSFRT-CYBMUJFWSA-N 0 0 321.336 2.425 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000617036057 363006808 /nfs/dbraw/zinc/00/68/08/363006808.db2.gz YEUVZFJGUYSWPE-IUODEOHRSA-N 0 0 322.430 2.199 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC000617039423 363006928 /nfs/dbraw/zinc/00/69/28/363006928.db2.gz HDCGRODUZAXGFQ-KFWWJZLASA-N 0 0 302.422 2.400 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000617044402 363008003 /nfs/dbraw/zinc/00/80/03/363008003.db2.gz MYOUSARRHDUFMG-MGPQQGTHSA-N 0 0 302.422 2.171 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000617044401 363008046 /nfs/dbraw/zinc/00/80/46/363008046.db2.gz MYOUSARRHDUFMG-MCIONIFRSA-N 0 0 302.422 2.171 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CCCCCS(N)(=O)=O ZINC000617043595 363008164 /nfs/dbraw/zinc/00/81/64/363008164.db2.gz BXVNBDSHUWKUQO-ZIAGYGMSSA-N 0 0 316.467 2.086 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NCc1cnc(C(F)(F)F)nc1 ZINC000617224602 363057292 /nfs/dbraw/zinc/05/72/92/363057292.db2.gz BYYOESIYTFOFRD-VIFPVBQESA-N 0 0 303.284 2.093 10 30 DEEERN C=CCCC1(CNC(=O)[C@H]2CCCS(=O)(=O)C2)CCCC1 ZINC000617418154 363129016 /nfs/dbraw/zinc/12/90/16/363129016.db2.gz UWTIPCRTUWRSSZ-AWEZNQCLSA-N 0 0 313.463 2.454 10 30 DEEERN C[C@@]12CCCN1C[C@H](c1noc(C3(C#N)CCCC3)n1)OC2 ZINC000329639908 539925770 /nfs/dbraw/zinc/92/57/70/539925770.db2.gz ZGSKMBBKIQPIHC-DOMZBBRYSA-N 0 0 302.378 2.331 10 30 DEEERN O=[N+]([O-])c1ccc(/C=N/NC(=S)NCCc2ccccc2)o1 ZINC000003240696 180995024 /nfs/dbraw/zinc/99/50/24/180995024.db2.gz PPIPTRJFPJMLFF-MHWRWJLKSA-N 0 0 318.358 2.229 10 30 DEEERN C=C[C@@H](CC(=O)N1CCC[C@](CO)(OC)C1)c1ccccc1 ZINC000617799910 363269210 /nfs/dbraw/zinc/26/92/10/363269210.db2.gz FJIBQFDEZIBYFU-YJBOKZPZSA-N 0 0 303.402 2.346 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CC(=O)Nc2ccccc21 ZINC000015800942 354035673 /nfs/dbraw/zinc/03/56/73/354035673.db2.gz NMRAAAZDNMVPAD-GFCCVEGCSA-N 0 0 321.336 2.311 10 30 DEEERN CC(C)[C@H](C#N)N1CCN(c2ncnc3c(F)cccc32)CC1 ZINC000617954837 363328758 /nfs/dbraw/zinc/32/87/58/363328758.db2.gz AEJKULAXKFAYCI-HNNXBMFYSA-N 0 0 313.380 2.439 10 30 DEEERN O=C(NC1CCCCC1)OCC#CI ZINC000034558905 354162037 /nfs/dbraw/zinc/16/20/37/354162037.db2.gz FGRRPVNTIUYHOS-UHFFFAOYSA-N 0 0 307.131 2.441 10 30 DEEERN C=CCOc1cccnc1C(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000618028728 363352890 /nfs/dbraw/zinc/35/28/90/363352890.db2.gz NIGZMONTDWYGMO-CALCHBBNSA-N 0 0 302.374 2.145 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1 ZINC000626402600 366175232 /nfs/dbraw/zinc/17/52/32/366175232.db2.gz HYLGNGZIOAPWHI-UKRRQHHQSA-N 0 0 304.394 2.492 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1cccc(C)c1Br ZINC000626448893 366191049 /nfs/dbraw/zinc/19/10/49/366191049.db2.gz PUUAFQTXKPQPTM-GFCCVEGCSA-N 0 0 312.207 2.353 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595568585 358487707 /nfs/dbraw/zinc/48/77/07/358487707.db2.gz WYOCIUCRGZTHTN-TZMCWYRMSA-N 0 0 321.381 2.225 10 30 DEEERN C=CCN(CC=C)C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000061184956 354623366 /nfs/dbraw/zinc/62/33/66/354623366.db2.gz LLJJIWDNMMBRRK-UHFFFAOYSA-N 0 0 313.806 2.314 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCCN(C(=O)C(C)(C)C)CC1 ZINC000066727881 354730707 /nfs/dbraw/zinc/73/07/07/354730707.db2.gz WVUPTVYPXWEKBJ-CQSZACIVSA-N 0 0 310.438 2.075 10 30 DEEERN C=C(C)COc1cccc(NC(=O)N[C@H]2CCCNC2=O)c1 ZINC000067318354 354757173 /nfs/dbraw/zinc/75/71/73/354757173.db2.gz HNOLKSHPEOVMMK-AWEZNQCLSA-N 0 0 303.362 2.042 10 30 DEEERN CN1CC[C@@H](NC(=O)CSCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000245824869 283047479 /nfs/dbraw/zinc/04/74/79/283047479.db2.gz FLACHQGIWCYHCR-UKRRQHHQSA-N 0 0 323.849 2.458 10 30 DEEERN N#Cc1ccc(Nc2cnn(-c3ncccn3)c2)c([N+](=O)[O-])c1 ZINC000078019848 355240711 /nfs/dbraw/zinc/24/07/11/355240711.db2.gz GXNFRBQQERZHAV-UHFFFAOYSA-N 0 0 307.273 2.186 10 30 DEEERN C=CCOCCNC(=O)c1ccc(Br)cc1OC ZINC000385412635 540126201 /nfs/dbraw/zinc/12/62/01/540126201.db2.gz CTVSKSZGWPFAAS-UHFFFAOYSA-N 0 0 314.179 2.390 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000077860852 191786480 /nfs/dbraw/zinc/78/64/80/191786480.db2.gz ADEDGXALSJBAAL-UHFFFAOYSA-N 0 0 310.423 2.199 10 30 DEEERN C=CCNC(=O)[C@@H](C)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000156781111 355953246 /nfs/dbraw/zinc/95/32/46/355953246.db2.gz PYDBNVHOMPXTCY-CQSZACIVSA-N 0 0 321.490 2.119 10 30 DEEERN O=CC[C@@H](O)c1ncc(Br)cc1Br ZINC000159429486 355961132 /nfs/dbraw/zinc/96/11/32/355961132.db2.gz ULSXSYGZWDDLKQ-SSDOTTSWSA-N 0 0 308.957 2.229 10 30 DEEERN CCN(CC)C(=O)C1CCN(c2nc(C)ccc2C#N)CC1 ZINC000160922524 355967959 /nfs/dbraw/zinc/96/79/59/355967959.db2.gz XJMWKNDBIUAANQ-UHFFFAOYSA-N 0 0 300.406 2.347 10 30 DEEERN CC(C)c1nncn1CCNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180440466 356051220 /nfs/dbraw/zinc/05/12/20/356051220.db2.gz IXXADQMYCUOKFS-UHFFFAOYSA-N 0 0 323.400 2.387 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)NCCCn1ccnn1 ZINC000183548645 356175526 /nfs/dbraw/zinc/17/55/26/356175526.db2.gz PRBYWLWPBLWRJJ-UHFFFAOYSA-N 0 0 313.405 2.109 10 30 DEEERN COc1ccccc1N1CCC(NC(=O)NC[C@H](C)C#N)CC1 ZINC000182621511 356134880 /nfs/dbraw/zinc/13/48/80/356134880.db2.gz MMWJRXTVUKJCQZ-CYBMUJFWSA-N 0 0 316.405 2.123 10 30 DEEERN C=CC[C@H](C(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1)c1ccccc1 ZINC000618324932 363459883 /nfs/dbraw/zinc/45/98/83/363459883.db2.gz BILFWQCKJTUFOL-KBMXLJTQSA-N 0 0 321.442 2.428 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000184140827 356186560 /nfs/dbraw/zinc/18/65/60/356186560.db2.gz GVNFOYFGWBXJLZ-AWEZNQCLSA-N 0 0 319.405 2.273 10 30 DEEERN Cc1ccccc1C(=O)NCC(=O)N(C)c1cccc(C#N)c1 ZINC000194758135 356245165 /nfs/dbraw/zinc/24/51/65/356245165.db2.gz IORLNSDILYAVRF-UHFFFAOYSA-N 0 0 307.353 2.260 10 30 DEEERN CNC(=O)CON=C(c1cc2ccncc2[nH]1)c1ccccc1 ZINC000257350761 356338785 /nfs/dbraw/zinc/33/87/85/356338785.db2.gz AAQBCRFMRRONNV-UHFFFAOYSA-N 0 0 308.341 2.078 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000282425889 356367915 /nfs/dbraw/zinc/36/79/15/356367915.db2.gz YHRBFXLEFDTMNF-ZIAGYGMSSA-N 0 0 320.437 2.298 10 30 DEEERN N#Cc1ccc(N2CCN3CCOC[C@H]3C2)c(C(F)(F)F)c1 ZINC000371804021 283163482 /nfs/dbraw/zinc/16/34/82/283163482.db2.gz UDLYYJMSIKJLOU-GFCCVEGCSA-N 0 0 311.307 2.098 10 30 DEEERN Cc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)c2ccsc2)o1 ZINC000328635325 356465126 /nfs/dbraw/zinc/46/51/26/356465126.db2.gz NHBNVBFCKVUNQT-QWRGUYRKSA-N 0 0 310.354 2.361 10 30 DEEERN C[C@@H]1Cc2ccccc2N1CCNC(=O)c1cc(C#N)cn1C ZINC000081726744 192318439 /nfs/dbraw/zinc/31/84/39/192318439.db2.gz GEOZBHMCLVOSKM-CYBMUJFWSA-N 0 0 308.385 2.078 10 30 DEEERN CN(c1cccc(C#N)c1)S(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081695290 192314556 /nfs/dbraw/zinc/31/45/56/192314556.db2.gz LOOIMQMLWFMBMF-UHFFFAOYSA-N 0 0 322.777 2.014 10 30 DEEERN C=CCOc1cccnc1-c1nc(-c2ccc(=O)n(C)c2)no1 ZINC000350942877 356591204 /nfs/dbraw/zinc/59/12/04/356591204.db2.gz CYLBVMRBPDUGJO-UHFFFAOYSA-N 0 0 310.313 2.062 10 30 DEEERN C=CCOCCCNC(=O)C(C)(C)NC(=O)Nc1ccccc1 ZINC000618523845 363515521 /nfs/dbraw/zinc/51/55/21/363515521.db2.gz RYMXNMXZMRLCJR-UHFFFAOYSA-N 0 0 319.405 2.296 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(-c2nnc(C)o2)cc1 ZINC000618523933 363516065 /nfs/dbraw/zinc/51/60/65/363516065.db2.gz WEDXIKMHYAYDTF-UHFFFAOYSA-N 0 0 301.346 2.368 10 30 DEEERN C=CCOCCCNC(=O)[C@H](CC(C)C)N1CCCCC1=O ZINC000618525322 363516170 /nfs/dbraw/zinc/51/61/70/363516170.db2.gz BGAVGAATHNCJRY-HNNXBMFYSA-N 0 0 310.438 2.123 10 30 DEEERN N#Cc1ccc(S(=O)(=O)Nc2c(F)cccc2F)c(N)c1 ZINC000085916000 192539847 /nfs/dbraw/zinc/53/98/47/192539847.db2.gz HIXWBTIEVBYKLL-UHFFFAOYSA-N 0 0 309.297 2.219 10 30 DEEERN C=CCNS(=O)(=O)c1ccc(-c2nc(C3(C)CC3)no2)cc1 ZINC000351174649 356626337 /nfs/dbraw/zinc/62/63/37/356626337.db2.gz NAEOFLIQTRSOIZ-UHFFFAOYSA-N 0 0 319.386 2.252 10 30 DEEERN CC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(N)cc2C#N)[C@@H]1C ZINC000086082968 192548416 /nfs/dbraw/zinc/54/84/16/192548416.db2.gz YCPUFGBYKGIMMS-JTNHKYCSSA-N 0 0 307.419 2.243 10 30 DEEERN N#CCCOCC[S@](=O)c1ccc(Br)cc1 ZINC000385175489 356686621 /nfs/dbraw/zinc/68/66/21/356686621.db2.gz BYGAOTZGVQJDII-INIZCTEOSA-N 0 0 302.193 2.487 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C2CC2)C1 ZINC000578487401 356824134 /nfs/dbraw/zinc/82/41/34/356824134.db2.gz BABJGRKWTFQFIS-HUUCEWRRSA-N 0 0 318.421 2.321 10 30 DEEERN C=CCN(CCOC)c1nnc(-c2scnc2C)n1CC ZINC000579591706 357000024 /nfs/dbraw/zinc/00/00/24/357000024.db2.gz KBXPUIVLWYIFMA-UHFFFAOYSA-N 0 0 307.423 2.369 10 30 DEEERN C=C(C)Cn1c(N2CCCO[C@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000581411365 357182052 /nfs/dbraw/zinc/18/20/52/357182052.db2.gz AWJJBLMNQXSVGB-RHSMWYFYSA-N 0 0 320.437 2.495 10 30 DEEERN Cc1cc(C#N)cc(N2CCN(Cc3cccc(O)c3)CC2)n1 ZINC000585706398 357347836 /nfs/dbraw/zinc/34/78/36/357347836.db2.gz VPMVSUVQYFFAMQ-UHFFFAOYSA-N 0 0 308.385 2.290 10 30 DEEERN C[C@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000585711238 357348061 /nfs/dbraw/zinc/34/80/61/357348061.db2.gz RTOLEFDNCYBSGV-FZMZJTMJSA-N 0 0 317.364 2.008 10 30 DEEERN C=CCCOCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)OC ZINC000585752939 357352297 /nfs/dbraw/zinc/35/22/97/357352297.db2.gz UVGONCSLSLJXNY-AWEZNQCLSA-N 0 0 305.374 2.169 10 30 DEEERN Cc1ccc2ncc(C#N)c(N[C@@H]3CC(=O)N([C@@H]4C[C@@H]4C)C3)c2c1 ZINC000589863868 357502384 /nfs/dbraw/zinc/50/23/84/357502384.db2.gz JTQLKWDKJZBQRN-DXCKQFNASA-N 0 0 320.396 2.258 10 30 DEEERN CC(C)[C@@H](C)NC(=O)C1CCN(c2cccnc2C#N)CC1 ZINC000589569022 357479005 /nfs/dbraw/zinc/47/90/05/357479005.db2.gz WFOYZAVNJXFWMG-CYBMUJFWSA-N 0 0 300.406 2.330 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)Nc1cccc(C(=O)OC)c1C ZINC000590805305 357616005 /nfs/dbraw/zinc/61/60/05/357616005.db2.gz ZDBRMMIWXAZPSL-LBPRGKRZSA-N 0 0 306.362 2.230 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C#N)cc1OC ZINC000591867393 357771557 /nfs/dbraw/zinc/77/15/57/357771557.db2.gz XNYMEPBXBVTWFF-JSGCOSHPSA-N 0 0 301.346 2.279 10 30 DEEERN C=CCCOCC(=O)N[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000592670399 357923187 /nfs/dbraw/zinc/92/31/87/357923187.db2.gz XCEXIWNYLWKRFX-ZDUSSCGKSA-N 0 0 307.390 2.344 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](CC)C(=O)OC ZINC000592851370 357959285 /nfs/dbraw/zinc/95/92/85/357959285.db2.gz DBRLZLVVHYYLNU-GFCCVEGCSA-N 0 0 321.373 2.189 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000184843842 199771932 /nfs/dbraw/zinc/77/19/32/199771932.db2.gz MMQZOMWBSLOKRV-JTQLQIEISA-N 0 0 311.288 2.218 10 30 DEEERN C=CCCn1cc(CN(C)[C@@H](CC)C(=O)OC(C)(C)C)nn1 ZINC000594015019 358188747 /nfs/dbraw/zinc/18/87/47/358188747.db2.gz SHMGQLKHGIUGDI-AWEZNQCLSA-N 0 0 308.426 2.406 10 30 DEEERN C=CCCn1cc(C[S@](=O)Cc2ccc(C)nc2C)nn1 ZINC000593936388 358175103 /nfs/dbraw/zinc/17/51/03/358175103.db2.gz AIUNRWUVAMSWPJ-OAQYLSRUSA-N 0 0 304.419 2.315 10 30 DEEERN C=CCn1c(-c2cccc(C#N)c2)nnc1N(C[C@H](C)O)C1CC1 ZINC000594472203 358279369 /nfs/dbraw/zinc/27/93/69/358279369.db2.gz AQSQEKMDSZSTGF-ZDUSSCGKSA-N 0 0 323.400 2.352 10 30 DEEERN C=CCCn1cc(CNc2cccc(F)c2C(=O)OC)nn1 ZINC000594548132 358292215 /nfs/dbraw/zinc/29/22/15/358292215.db2.gz CGBSGZATBPZWPT-UHFFFAOYSA-N 0 0 304.325 2.392 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccnc1C#N ZINC000594790646 358337577 /nfs/dbraw/zinc/33/75/77/358337577.db2.gz VRUBMICBAGOFHD-OLZOCXBDSA-N 0 0 305.403 2.366 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595158166 358396900 /nfs/dbraw/zinc/39/69/00/358396900.db2.gz HJZTYBMHJXDUMX-GOSISDBHSA-N 0 0 317.433 2.343 10 30 DEEERN C=CCCSCCNC(=O)C(=O)N(CC)C1CC(C)(C)C1 ZINC000595186533 358399171 /nfs/dbraw/zinc/39/91/71/358399171.db2.gz NPOXMLJEGIMSIT-UHFFFAOYSA-N 0 0 312.479 2.449 10 30 DEEERN C=CCC[C@H](O)CN(C)[C@@H](C(=O)OC)c1cccc(OC)c1 ZINC000595676456 358519531 /nfs/dbraw/zinc/51/95/31/358519531.db2.gz GDIQADHUBRGNCC-GOEBONIOSA-N 0 0 307.390 2.168 10 30 DEEERN C[C@]1(C#N)CCN(S(=O)(=O)CCCOCc2ccccc2)C1 ZINC000595371708 358433988 /nfs/dbraw/zinc/43/39/88/358433988.db2.gz LJECSCCOARVCJD-MRXNPFEDSA-N 0 0 322.430 2.159 10 30 DEEERN C=CCCSCCNC(=O)Nc1cncc(C(=O)OC)c1 ZINC000596796754 358764084 /nfs/dbraw/zinc/76/40/84/358764084.db2.gz IQNZPSLTLYNLDW-UHFFFAOYSA-N 0 0 309.391 2.299 10 30 DEEERN C=CCOCCCNC(=O)Nc1ccc(C(=O)OC)c(OC)c1 ZINC000596888657 358782596 /nfs/dbraw/zinc/78/25/96/358782596.db2.gz YJNHVBFXXWEFQI-UHFFFAOYSA-N 0 0 322.361 2.196 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000185518885 199862295 /nfs/dbraw/zinc/86/22/95/199862295.db2.gz VDAPFHKOEIRNOU-CJNGLKHVSA-N 0 0 305.422 2.330 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCCSCC ZINC000597310927 358886128 /nfs/dbraw/zinc/88/61/28/358886128.db2.gz CJYWAOOBYDPYTQ-UONOGXRCSA-N 0 0 312.479 2.497 10 30 DEEERN C=CCN(CCC#N)C(=O)CCc1cc(OC)c(O)c(OC)c1 ZINC000597683934 358978308 /nfs/dbraw/zinc/97/83/08/358978308.db2.gz LFNYYTANTAUWSZ-UHFFFAOYSA-N 0 0 318.373 2.270 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000597864757 359028956 /nfs/dbraw/zinc/02/89/56/359028956.db2.gz QBNFRPYXZCEBRQ-OCCSQVGLSA-N 0 0 319.361 2.008 10 30 DEEERN C=CCCC1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000597927065 359044732 /nfs/dbraw/zinc/04/47/32/359044732.db2.gz SYWOKOXMERRRCG-UHFFFAOYSA-N 0 0 306.366 2.434 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000185728651 199882281 /nfs/dbraw/zinc/88/22/81/199882281.db2.gz BSJNAKDJJBFUSN-LLVKDONJSA-N 0 0 303.280 2.181 10 30 DEEERN C=CCCSCCNC(=O)c1ccccc1Cn1ccnn1 ZINC000597974009 359056291 /nfs/dbraw/zinc/05/62/91/359056291.db2.gz WLYRTOGMYQLCSV-UHFFFAOYSA-N 0 0 316.430 2.366 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NCc1ccc(C(=O)OC)cc1F ZINC000598350032 359173325 /nfs/dbraw/zinc/17/33/25/359173325.db2.gz IPCGHMOXOYZCPC-NSHDSACASA-N 0 0 309.337 2.210 10 30 DEEERN C=CCCO[C@@H](C)C(=O)Nc1cccc2c1CCN(C)C2=O ZINC000618899425 363629608 /nfs/dbraw/zinc/62/96/08/363629608.db2.gz UDIKPULHSGFXMN-LBPRGKRZSA-N 0 0 302.374 2.234 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCc1c[nH]c2c1cccc2C ZINC000186289726 199938711 /nfs/dbraw/zinc/93/87/11/199938711.db2.gz BCRKUCMLXMLUHS-CQSZACIVSA-N 0 0 301.390 2.255 10 30 DEEERN N#Cc1cc(S(=O)(=O)NCC[C@@H]2CC2(F)F)ccc1F ZINC000598621530 359264213 /nfs/dbraw/zinc/26/42/13/359264213.db2.gz HRURMCZFIARGHB-SECBINFHSA-N 0 0 304.293 2.021 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(F)cc1OC(F)F ZINC000186206112 199928492 /nfs/dbraw/zinc/92/84/92/199928492.db2.gz QGEUIOPFEUJXPI-VIFPVBQESA-N 0 0 304.268 2.486 10 30 DEEERN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C(F)F)C1CCCCC1 ZINC000598648190 359276087 /nfs/dbraw/zinc/27/60/87/359276087.db2.gz FFCCTMYIXCMILZ-PWSUYJOCSA-N 0 0 317.380 2.190 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@@H](C)CCSCC ZINC000598814404 359333173 /nfs/dbraw/zinc/33/31/73/359333173.db2.gz GXKOKBDWEXNLRU-GXTWGEPZSA-N 0 0 300.468 2.447 10 30 DEEERN N#Cc1cc(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)ccc1Br ZINC000598838550 359340820 /nfs/dbraw/zinc/34/08/20/359340820.db2.gz MEFJRZDYDBDTAI-IAZYJMLFSA-N 0 0 307.147 2.152 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)C1 ZINC000599374363 359481758 /nfs/dbraw/zinc/48/17/58/359481758.db2.gz HRPCCSQHXVUMKN-ZDUSSCGKSA-N 0 0 323.414 2.450 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cccc(OCC(=O)OC)c2)C1 ZINC000600213160 359692589 /nfs/dbraw/zinc/69/25/89/359692589.db2.gz RASAQXLXDKRVKR-ZDUSSCGKSA-N 0 0 303.358 2.277 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H](Cc1cccc(OC)c1)C(=O)OC ZINC000600269143 359708595 /nfs/dbraw/zinc/70/85/95/359708595.db2.gz QNUZPRFYVSYVMN-CZUORRHYSA-N 0 0 319.401 2.498 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NCc1ccc(CC(=O)OC)cc1 ZINC000600228129 359696706 /nfs/dbraw/zinc/69/67/06/359696706.db2.gz XKLQWGCBBJPGST-GOSISDBHSA-N 0 0 319.401 2.247 10 30 DEEERN C=CCCOCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000600483504 359751615 /nfs/dbraw/zinc/75/16/15/359751615.db2.gz FRMCFJMOALMARU-WIEQDCTASA-N 0 0 313.463 2.261 10 30 DEEERN CC[C@@]1(C)CN(C(=O)NCCOc2ccc(C#N)cc2)CCO1 ZINC000188150685 200200829 /nfs/dbraw/zinc/20/08/29/200200829.db2.gz OIAASRSABMOHDM-KRWDZBQOSA-N 0 0 317.389 2.148 10 30 DEEERN C=CCC[C@H](C(=O)N[C@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000188173664 200204377 /nfs/dbraw/zinc/20/43/77/200204377.db2.gz VJHMSBZPUYZFFJ-HOTGVXAUSA-N 0 0 300.402 2.473 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cncc(OCCC)c1 ZINC000627547783 366546478 /nfs/dbraw/zinc/54/64/78/366546478.db2.gz OTMFOMYBKSAVPX-AWEZNQCLSA-N 0 0 317.389 2.376 10 30 DEEERN CC#CCCNC(=O)C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000627519957 366539483 /nfs/dbraw/zinc/53/94/83/366539483.db2.gz POAYNQTVULSQBP-UHFFFAOYSA-N 0 0 314.385 2.049 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000627679304 366589527 /nfs/dbraw/zinc/58/95/27/366589527.db2.gz KBLOOOWVLASACZ-NSHDSACASA-N 0 0 302.296 2.086 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCc2c1cccc2F ZINC000627686324 366591915 /nfs/dbraw/zinc/59/19/15/366591915.db2.gz CAUJRMWXOHXSEK-UHFFFAOYSA-N 0 0 304.365 2.433 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCc2ccccc2[N+](=O)[O-])C1=O ZINC000601070053 359911278 /nfs/dbraw/zinc/91/12/78/359911278.db2.gz YCNHNQZIIJPVAI-LBPRGKRZSA-N 0 0 303.318 2.024 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@H]2C[C@H](O)C23CCC3)cc1OC ZINC000619091044 363703476 /nfs/dbraw/zinc/70/34/76/363703476.db2.gz RZCSHTPJIHRKSS-HOTGVXAUSA-N 0 0 317.385 2.293 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](CC)NC(C)=O ZINC000601019114 359896408 /nfs/dbraw/zinc/89/64/08/359896408.db2.gz BGYNOONVKBRHND-HNNXBMFYSA-N 0 0 319.361 2.024 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccc2)C1 ZINC000627734092 366603582 /nfs/dbraw/zinc/60/35/82/366603582.db2.gz KRYFDNVYSADLFH-ZDUSSCGKSA-N 0 0 324.384 2.440 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1ccc(F)cc1Br ZINC000189093060 200347143 /nfs/dbraw/zinc/34/71/43/200347143.db2.gz WIGSRDVCUCRSHT-NSHDSACASA-N 0 0 316.170 2.184 10 30 DEEERN C=Cc1ccc(S(=O)(=O)N[C@H](CC(=C)C)C(=O)OC)cc1 ZINC000601501313 360055557 /nfs/dbraw/zinc/05/55/57/360055557.db2.gz MDDZYKCJBNMUDV-CQSZACIVSA-N 0 0 309.387 2.116 10 30 DEEERN C=CCC[C@@H](NC(=O)c1cn2c(n1)C[C@H](C)CC2)C(=O)OCC ZINC000601623187 360091425 /nfs/dbraw/zinc/09/14/25/360091425.db2.gz YASHSPMUOOFAKT-CHWSQXEVSA-N 0 0 319.405 2.093 10 30 DEEERN C=C(C)C[C@@H](NC(=O)COc1cc(C)ccc1C)C(=O)OC ZINC000601771609 360140558 /nfs/dbraw/zinc/14/05/58/360140558.db2.gz IYUYDKNJOQJLGA-CQSZACIVSA-N 0 0 305.374 2.306 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)n1cnc2ccccc21)C(=O)OC ZINC000601776536 360143791 /nfs/dbraw/zinc/14/37/91/360143791.db2.gz BIWKLAXZLGFLIY-TZMCWYRMSA-N 0 0 315.373 2.221 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(N(C)C)cc1F)C(=O)OC ZINC000601780187 360144454 /nfs/dbraw/zinc/14/44/54/360144454.db2.gz BEJMYVMJNSETTD-CQSZACIVSA-N 0 0 308.353 2.129 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1coc2c1C(=O)CCC2)C(=O)OC ZINC000601781060 360145725 /nfs/dbraw/zinc/14/57/25/360145725.db2.gz GMMFCPRMWIBCRK-LLVKDONJSA-N 0 0 305.330 2.036 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccoc1Br)C(=O)OC ZINC000601783924 360148000 /nfs/dbraw/zinc/14/80/00/360148000.db2.gz YHZVVINUXPFOQN-SECBINFHSA-N 0 0 316.151 2.280 10 30 DEEERN C=C(C)C[C@@H](NC(=O)COC[C@@H](C)c1ccccc1)C(=O)OC ZINC000601785225 360148482 /nfs/dbraw/zinc/14/84/82/360148482.db2.gz RBRPNYKLSUOPLZ-GDBMZVCRSA-N 0 0 319.401 2.431 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)OC ZINC000601784934 360148512 /nfs/dbraw/zinc/14/85/12/360148512.db2.gz IQUWBTLOPIQTOI-ZDUSSCGKSA-N 0 0 306.318 2.141 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cn(C(C)(C)C)nc1C)C(=O)OC ZINC000601787351 360149451 /nfs/dbraw/zinc/14/94/51/360149451.db2.gz LOPHZSJHNIQHGO-CYBMUJFWSA-N 0 0 307.394 2.184 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)C(=O)OC ZINC000601788357 360150585 /nfs/dbraw/zinc/15/05/85/360150585.db2.gz UIBIIZYQPXZADK-ZDUSSCGKSA-N 0 0 306.749 2.449 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H](CC(C)C)n1ccnc1)C(=O)OC ZINC000602193592 360306666 /nfs/dbraw/zinc/30/66/66/360306666.db2.gz CAZOMTAZQYYABY-ZIAGYGMSSA-N 0 0 307.394 2.094 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1sc2ncccc2c1N)C(=O)OC ZINC000602194242 360307053 /nfs/dbraw/zinc/30/70/53/360307053.db2.gz GEFHCNABKXZJCD-SNVBAGLBSA-N 0 0 319.386 2.116 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](CC(C)C)n1ccnc1)C(=O)OC ZINC000602193588 360307135 /nfs/dbraw/zinc/30/71/35/360307135.db2.gz CAZOMTAZQYYABY-UONOGXRCSA-N 0 0 307.394 2.094 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000602233390 360319540 /nfs/dbraw/zinc/31/95/40/360319540.db2.gz YXSIAZDBSGWZTC-UHFFFAOYSA-N 0 0 313.401 2.283 10 30 DEEERN C=C(C)C[C@H](NCc1cc(OC)c2c(c1)OCCO2)C(=O)OC ZINC000602732106 360524754 /nfs/dbraw/zinc/52/47/54/360524754.db2.gz NZWLDVRCAZTFIM-ZDUSSCGKSA-N 0 0 321.373 2.064 10 30 DEEERN CC(=O)N(C)c1ccc(NC(=O)N(C)[C@H]2CCC[C@H]2C#N)cn1 ZINC000603037407 360677494 /nfs/dbraw/zinc/67/74/94/360677494.db2.gz DWVYPFBJDDIGAL-JSGCOSHPSA-N 0 0 315.377 2.220 10 30 DEEERN CN1CC[C@@H](COc2cc(Br)ccc2C#N)C1=O ZINC000603336199 360797158 /nfs/dbraw/zinc/79/71/58/360797158.db2.gz QLCYUPVVLGPITB-JTQLQIEISA-N 0 0 309.163 2.178 10 30 DEEERN N#CCN1CCC(NC(=O)Nc2ccc3c(c2)CCCO3)CC1 ZINC000609339960 361305065 /nfs/dbraw/zinc/30/50/65/361305065.db2.gz ICNKONNZLQYARY-UHFFFAOYSA-N 0 0 314.389 2.121 10 30 DEEERN N#C[C@H](NC(=O)c1ccc(OC2CCOCC2)cc1)C1CC1 ZINC000610240063 361371547 /nfs/dbraw/zinc/37/15/47/361371547.db2.gz KGKIOIDHWXCJIA-INIZCTEOSA-N 0 0 300.358 2.276 10 30 DEEERN N#Cc1ccc(CNC(=O)N[C@H](CO)CC2CCC2)c(F)c1 ZINC000619427089 363790465 /nfs/dbraw/zinc/79/04/65/363790465.db2.gz XUUHTEZTKNETDG-AWEZNQCLSA-N 0 0 305.353 2.048 10 30 DEEERN C=CC(C)(C)CCNC(=O)Cn1c(C)nc2ccccc2c1=O ZINC000628313749 366806096 /nfs/dbraw/zinc/80/60/96/366806096.db2.gz ZLIYDXLRPOQVRH-UHFFFAOYSA-N 0 0 313.401 2.423 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1ccc2c(c1)N(C)C(=O)CO2 ZINC000628311361 366806775 /nfs/dbraw/zinc/80/67/75/366806775.db2.gz JXFLDEQWFKWOFD-UHFFFAOYSA-N 0 0 302.374 2.374 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C ZINC000628318317 366807871 /nfs/dbraw/zinc/80/78/71/366807871.db2.gz XVFUXRVUYKHTOI-UHFFFAOYSA-N 0 0 315.377 2.008 10 30 DEEERN C=CCOCCCC(=O)NC[C@H](n1cccn1)C(F)(F)F ZINC000628332387 366815494 /nfs/dbraw/zinc/81/54/94/366815494.db2.gz RMNJKRBHNATPCF-NSHDSACASA-N 0 0 305.300 2.086 10 30 DEEERN C[C@@H](C[C@H]1CCOC1)NC(=O)NCc1ccc(C#N)cc1F ZINC000610738099 361456490 /nfs/dbraw/zinc/45/64/90/361456490.db2.gz OPGHITGVQYWMLZ-WCQYABFASA-N 0 0 305.353 2.312 10 30 DEEERN C[C@H](c1ccccc1)[C@H](CO)NC(=O)Cc1cccc(C#N)c1 ZINC000611508978 361618383 /nfs/dbraw/zinc/61/83/83/361618383.db2.gz WHNGPCHABCUKES-KDOFPFPSSA-N 0 0 308.381 2.382 10 30 DEEERN Cc1occc1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000611540865 361625899 /nfs/dbraw/zinc/62/58/99/361625899.db2.gz ITBHOVIYTVNZOA-INIZCTEOSA-N 0 0 306.362 2.466 10 30 DEEERN COC[C@@](C)(NCCOc1ccccc1C#N)C(F)(F)F ZINC000611718157 361666748 /nfs/dbraw/zinc/66/67/48/361666748.db2.gz UBPFJQIXMFJIKV-CYBMUJFWSA-N 0 0 302.296 2.494 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000194750112 201282561 /nfs/dbraw/zinc/28/25/61/201282561.db2.gz PDGFZWOWUQZGLR-GASCZTMLSA-N 0 0 315.417 2.048 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc2c(c1)nc(C)n2C ZINC000611645278 361651898 /nfs/dbraw/zinc/65/18/98/361651898.db2.gz XBAYEACBWVYFKY-OAHLLOKOSA-N 0 0 314.389 2.291 10 30 DEEERN CN(CC(=O)N1CCC(CC#N)CC1)c1ccc(Cl)cn1 ZINC000611677480 361655279 /nfs/dbraw/zinc/65/52/79/361655279.db2.gz UVYKJZBHGCIROU-UHFFFAOYSA-N 0 0 306.797 2.323 10 30 DEEERN C=CCCCN(C)c1nnc(-c2cc[nH]n2)n1C[C@H]1CCCO1 ZINC000611903381 361703354 /nfs/dbraw/zinc/70/33/54/361703354.db2.gz VNDQFIFKJSJWDX-CYBMUJFWSA-N 0 0 316.409 2.250 10 30 DEEERN N#Cc1ccc(CS(=O)(=O)NCc2ccc(Cl)o2)cc1 ZINC000612054299 361731757 /nfs/dbraw/zinc/73/17/57/361731757.db2.gz BYKQVUMWEHLWKJ-UHFFFAOYSA-N 0 0 310.762 2.424 10 30 DEEERN C[C@@H](C(=O)N[C@H](c1ccccc1)C(F)(F)F)n1cnc(C#N)n1 ZINC000619587169 363835511 /nfs/dbraw/zinc/83/55/11/363835511.db2.gz AOQGJFVVDGEIMO-JOYOIKCWSA-N 0 0 323.278 2.131 10 30 DEEERN N#CC1CCC(CNC(=O)N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000619670699 363852004 /nfs/dbraw/zinc/85/20/04/363852004.db2.gz NAYNDOLAEPTHAH-HTAVTVPLSA-N 0 0 319.327 2.289 10 30 DEEERN CCC[C@@H]1C(=O)NCCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000619697223 363857450 /nfs/dbraw/zinc/85/74/50/363857450.db2.gz GJICGFLICPCUDC-LLVKDONJSA-N 0 0 312.295 2.077 10 30 DEEERN N#CC1CCC(CNC(=O)c2ccc(Cn3cncn3)cc2)CC1 ZINC000619660411 363850377 /nfs/dbraw/zinc/85/03/77/363850377.db2.gz GVPOADZYBSAFDI-UHFFFAOYSA-N 0 0 323.400 2.386 10 30 DEEERN C=C[C@H](C(=O)OC)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000619782474 363875559 /nfs/dbraw/zinc/87/55/59/363875559.db2.gz VSUZLMTZFVGVNM-MRXNPFEDSA-N 0 0 318.392 2.380 10 30 DEEERN O=C(C#Cc1ccc2c(c1)OCO2)N1CCCC[C@H]1c1cn[nH]c1 ZINC000137434798 283732399 /nfs/dbraw/zinc/73/23/99/283732399.db2.gz XCNWOLIEWYBLQR-HNNXBMFYSA-N 0 0 323.352 2.244 10 30 DEEERN C=CCC1(C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)CCCC1 ZINC000619975856 363923935 /nfs/dbraw/zinc/92/39/35/363923935.db2.gz JPJKNGTXXHGYNJ-CQSZACIVSA-N 0 0 307.438 2.337 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc([C@H]2CC(=O)NC(=O)N2)cc1 ZINC000620123887 363962707 /nfs/dbraw/zinc/96/27/07/363962707.db2.gz XIYFPQAABYKOQP-BXUZGUMPSA-N 0 0 315.373 2.498 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nnnc1-c1ccsc1 ZINC000620302267 364012588 /nfs/dbraw/zinc/01/25/88/364012588.db2.gz WTBXJVUKAXAZCR-BETUJISGSA-N 0 0 315.402 2.111 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc(C(=O)NC)c1 ZINC000620306394 364013947 /nfs/dbraw/zinc/01/39/47/364013947.db2.gz FEIUQLLNQIIEBG-GASCZTMLSA-N 0 0 314.385 2.135 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000620546900 364077044 /nfs/dbraw/zinc/07/70/44/364077044.db2.gz UYNZAJWWPUHUSE-LTIDMASMSA-N 0 0 316.376 2.051 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](OC)C1CCCCC1 ZINC000620381612 364032441 /nfs/dbraw/zinc/03/24/41/364032441.db2.gz MKXBIJNMLFZKNJ-HZPDHXFCSA-N 0 0 310.438 2.169 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)OCC ZINC000620415790 364041211 /nfs/dbraw/zinc/04/12/11/364041211.db2.gz HRNSKAKOBRDNFJ-LSDHHAIUSA-N 0 0 310.438 2.121 10 30 DEEERN C=CCNS(=O)(=O)c1ccc(C(=O)NC2CC(C)(C)C2)cc1 ZINC000620745081 364139418 /nfs/dbraw/zinc/13/94/18/364139418.db2.gz LVMOFJPIWUGBHN-UHFFFAOYSA-N 0 0 322.430 2.069 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CNC(=O)NCc2ccc(C)cc2)C1 ZINC000628484639 366864096 /nfs/dbraw/zinc/86/40/96/366864096.db2.gz RDDTXHTZWYIISH-INIZCTEOSA-N 0 0 315.417 2.219 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CSc2nnc3ccccn32)C1 ZINC000628489962 366865454 /nfs/dbraw/zinc/86/54/54/366865454.db2.gz LQGZYWRTDAAJII-LBPRGKRZSA-N 0 0 302.403 2.246 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CC2(Cn3cnnn3)CCCCC2)C1 ZINC000628493271 366866350 /nfs/dbraw/zinc/86/63/50/366866350.db2.gz MPHLSVOOXCFYMJ-HNNXBMFYSA-N 0 0 317.437 2.438 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ccc(O)cc1 ZINC000622135094 364676266 /nfs/dbraw/zinc/67/62/66/364676266.db2.gz WTIUISRGTZPFSK-CZUORRHYSA-N 0 0 316.401 2.373 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccnc(OC(C)C)c1 ZINC000622849007 364811892 /nfs/dbraw/zinc/81/18/92/364811892.db2.gz NBZHZGUOBNLXAC-AWEZNQCLSA-N 0 0 305.378 2.278 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)c1cnc2ccccc2n1 ZINC000622874321 364817704 /nfs/dbraw/zinc/81/77/04/364817704.db2.gz OJEFRHLIHKDECZ-HNNXBMFYSA-N 0 0 312.373 2.064 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(Cc2ccsc2)C1 ZINC000623041872 364864855 /nfs/dbraw/zinc/86/48/55/364864855.db2.gz BQNKBZXRQGAVOC-OAHLLOKOSA-N 0 0 306.431 2.220 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2ccc(C(=O)N(C)C)cc2)C1 ZINC000623450947 365035827 /nfs/dbraw/zinc/03/58/27/365035827.db2.gz DQEWDYJGHQNSAS-HNNXBMFYSA-N 0 0 315.417 2.496 10 30 DEEERN C=CCCn1cc(CNC[C@H]2CC[N@@H+]2C2CCCCC2)nn1 ZINC000623615036 365100825 /nfs/dbraw/zinc/10/08/25/365100825.db2.gz MMQISLMNLWDPOC-QGZVFWFLSA-N 0 0 303.454 2.351 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@H]1CCCc2ccc(Cl)cc21 ZINC000623861815 365201918 /nfs/dbraw/zinc/20/19/18/365201918.db2.gz DAXHQFOSKPLMIV-AWEZNQCLSA-N 0 0 321.808 2.319 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCc1cccc(S(C)(=O)=O)c1 ZINC000624156538 365311477 /nfs/dbraw/zinc/31/14/77/365311477.db2.gz DTHPVOBIASYCJO-UHFFFAOYSA-N 0 0 324.446 2.492 10 30 DEEERN CSC1(C#N)CCN([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000091474474 193061444 /nfs/dbraw/zinc/06/14/44/193061444.db2.gz WZDBFLCIHMTZDB-CQSZACIVSA-N 0 0 309.479 2.499 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@H](CO)[C@@H]1CCC[C@@H](OC)C1 ZINC000624459439 365428293 /nfs/dbraw/zinc/42/82/93/365428293.db2.gz CDFXLFUFILVOIQ-RBSFLKMASA-N 0 0 312.454 2.454 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000624463043 365429692 /nfs/dbraw/zinc/42/96/92/365429692.db2.gz OYYPUUBKNJWUGG-CQSZACIVSA-N 0 0 307.438 2.243 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000624463712 365430103 /nfs/dbraw/zinc/43/01/03/365430103.db2.gz UTZRISHCIXRBGG-CHWSQXEVSA-N 0 0 300.443 2.046 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000449867973 241190572 /nfs/dbraw/zinc/19/05/72/241190572.db2.gz JDMVUWFZTHLNBI-AWEZNQCLSA-N 0 0 308.385 2.296 10 30 DEEERN C[C@@H](CNC(=O)c1ccc(C#N)n1C)Oc1ccccc1F ZINC000449964935 241302492 /nfs/dbraw/zinc/30/24/92/241302492.db2.gz BJLFQLNYFGRHLW-NSHDSACASA-N 0 0 301.321 2.233 10 30 DEEERN C=CCN1CC[C@@H](Nc2ccc3c(c2)[C@H](C)CC(=O)N3C)C1=O ZINC000629270447 367144104 /nfs/dbraw/zinc/14/41/04/367144104.db2.gz HCGMYFSOJXQYMT-IUODEOHRSA-N 0 0 313.401 2.355 10 30 DEEERN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000629434843 367198497 /nfs/dbraw/zinc/19/84/97/367198497.db2.gz GUFAWPLJZMEYJQ-AEFFLSMTSA-N 0 0 317.433 2.001 10 30 DEEERN C=CC[C@@H](CO)Nc1ccc(I)cn1 ZINC000450438374 241836158 /nfs/dbraw/zinc/83/61/58/241836158.db2.gz KBODLIXVFKXAHG-VIFPVBQESA-N 0 0 304.131 2.035 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CCO[C@](C)(COC)C2)cc1 ZINC000629897966 367367014 /nfs/dbraw/zinc/36/70/14/367367014.db2.gz MCAOJVKMQYKDHT-SFHVURJKSA-N 0 0 319.401 2.058 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2ccc(OC)c(OCC)c2)C1=O ZINC000630503618 367693994 /nfs/dbraw/zinc/69/39/94/367693994.db2.gz VIGRBOSWQYIWIV-GFCCVEGCSA-N 0 0 304.346 2.485 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](C)O[C@H]2C)cc1 ZINC000630787049 367845130 /nfs/dbraw/zinc/84/51/30/367845130.db2.gz YFMFPSWIUFRZKT-TYNCELHUSA-N 0 0 302.374 2.354 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000630906114 367906022 /nfs/dbraw/zinc/90/60/22/367906022.db2.gz OEEZMJJXZVEGLK-LBPRGKRZSA-N 0 0 322.430 2.128 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CC[C@@H]2COc3ccccc3O2)C1=O ZINC000630972574 367943898 /nfs/dbraw/zinc/94/38/98/367943898.db2.gz IFVAYFPERSCKOC-OLZOCXBDSA-N 0 0 316.357 2.103 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCOc2ccc(F)c(F)c2)C1=O ZINC000630975152 367946415 /nfs/dbraw/zinc/94/64/15/367946415.db2.gz ZLFCBYQUXDSCIB-ZDUSSCGKSA-N 0 0 310.300 2.230 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCCOc2cccc(OC)c2)C1=O ZINC000630978517 367947914 /nfs/dbraw/zinc/94/79/14/367947914.db2.gz XWXBKPDSJYHSEJ-OAHLLOKOSA-N 0 0 318.373 2.351 10 30 DEEERN C=C1CC(C)(C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)C1 ZINC000631436093 368222594 /nfs/dbraw/zinc/22/25/94/368222594.db2.gz GSJILXLDFUZJPK-ZDUSSCGKSA-N 0 0 312.369 2.187 10 30 DEEERN N#C[C@@H]1COCCN1Cc1cccc(OCc2ccccn2)c1 ZINC000093457102 193255546 /nfs/dbraw/zinc/25/55/46/193255546.db2.gz NPNYJUZULROHFQ-QGZVFWFLSA-N 0 0 309.369 2.385 10 30 DEEERN Cc1ccc2c(N)c(C(=O)N3CCO[C@@H](C#N)C3)sc2c1 ZINC000093938042 193330488 /nfs/dbraw/zinc/33/04/88/193330488.db2.gz VAKULCVGJDHAMM-JTQLQIEISA-N 0 0 301.371 2.157 10 30 DEEERN O=C(Nc1nc2c(s1)CCC2)c1csc(C#CCO)c1 ZINC000093974499 193332763 /nfs/dbraw/zinc/33/27/63/193332763.db2.gz HBESHSBPSDXDOK-UHFFFAOYSA-N 0 0 304.396 2.289 10 30 DEEERN N#C[C@H]1CC(=O)N(c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000094188973 193348246 /nfs/dbraw/zinc/34/82/46/193348246.db2.gz AITQEBPMDUVGBI-SSDOTTSWSA-N 0 0 310.107 2.234 10 30 DEEERN C[C@@](N)(C(=O)Nc1sc2c(c1C#N)CCC2)C(F)(F)F ZINC000094236931 193353416 /nfs/dbraw/zinc/35/34/16/193353416.db2.gz ZFBAAZGNLITQOL-LLVKDONJSA-N 0 0 303.309 2.327 10 30 DEEERN Cc1ncccc1C(=O)NCc1cc(C#CCCO)cs1 ZINC000094649380 193390992 /nfs/dbraw/zinc/39/09/92/193390992.db2.gz YOFXZDIQMFZEKI-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)sc1C#CCCO ZINC000094533373 193377344 /nfs/dbraw/zinc/37/73/44/193377344.db2.gz NSOOOAYLKWGOFT-BETUJISGSA-N 0 0 307.415 2.040 10 30 DEEERN C=C(C)Cn1c(N(C)CCCOC)nnc1[C@]1(C)CCCO1 ZINC000453470640 245156048 /nfs/dbraw/zinc/15/60/48/245156048.db2.gz QODASPSOPSUOCC-INIZCTEOSA-N 0 0 308.426 2.353 10 30 DEEERN C=C(C)CCNC(=O)C(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000453898371 245351425 /nfs/dbraw/zinc/35/14/25/245351425.db2.gz XAVFWPCIAPAGRT-UHFFFAOYSA-N 0 0 314.345 2.066 10 30 DEEERN C=CCN(CC=C)C(=S)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000008554449 181563950 /nfs/dbraw/zinc/56/39/50/181563950.db2.gz LAUZDLZZYUMSHT-UHFFFAOYSA-N 0 0 305.359 2.284 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N1CCCSCC1 ZINC000265244707 204479267 /nfs/dbraw/zinc/47/92/67/204479267.db2.gz WYNPSQZRVOYOFY-UHFFFAOYSA-N 0 0 304.415 2.347 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)C(=O)NCc1ccc(F)cc1 ZINC000266069620 205073400 /nfs/dbraw/zinc/07/34/00/205073400.db2.gz DYQAIKVMSSOCCF-UHFFFAOYSA-N 0 0 318.270 2.019 10 30 DEEERN C=CCOc1ccc(C(=O)NC[C@@H]2CCC[C@H]2O)cc1OC ZINC000266141758 205131920 /nfs/dbraw/zinc/13/19/20/205131920.db2.gz ASYOVOTVRSSBBZ-UONOGXRCSA-N 0 0 305.374 2.151 10 30 DEEERN C#CCC(C)(C)C(=O)NC[C@H](C(=O)OCC)c1ccccc1 ZINC000274681347 211826204 /nfs/dbraw/zinc/82/62/04/211826204.db2.gz ZXNITIXGJBAISF-HNNXBMFYSA-N 0 0 301.386 2.499 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N1CCC([C@H](C)O)CC1 ZINC000266412208 205327159 /nfs/dbraw/zinc/32/71/59/205327159.db2.gz PCFLDWMEPVPARN-LBPRGKRZSA-N 0 0 320.364 2.462 10 30 DEEERN Cc1cc(C#N)cc(-n2cc(I)cn2)n1 ZINC000161141168 197468286 /nfs/dbraw/zinc/46/82/86/197468286.db2.gz AWLLAYQGKJTWRZ-UHFFFAOYSA-N 0 0 310.098 2.052 10 30 DEEERN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)C(C)C)cc1C#N ZINC000159996693 197378526 /nfs/dbraw/zinc/37/85/26/197378526.db2.gz BZRXHYNBXGOOLW-GFCCVEGCSA-N 0 0 317.389 2.445 10 30 DEEERN Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)c1cncnc1 ZINC000020996642 182258193 /nfs/dbraw/zinc/25/81/93/182258193.db2.gz PYLTUBRTFXYNQC-UHFFFAOYSA-N 0 0 305.341 2.111 10 30 DEEERN C=CCCCCNC(=O)N1CCN(c2ccc(OC)cn2)CC1 ZINC000454825698 246178506 /nfs/dbraw/zinc/17/85/06/246178506.db2.gz YRAAMUXIYODBMW-UHFFFAOYSA-N 0 0 318.421 2.278 10 30 DEEERN C=CCN(CCC#N)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000455211242 246455731 /nfs/dbraw/zinc/45/57/31/246455731.db2.gz PFYXJKRYHBDHAS-UHFFFAOYSA-N 0 0 310.361 2.260 10 30 DEEERN C=CCC[C@H](NC(=O)c1cccc2nccnc21)C(=O)OCC ZINC000456613020 247310471 /nfs/dbraw/zinc/31/04/71/247310471.db2.gz SOHFINWJIJPZLT-AWEZNQCLSA-N 0 0 313.357 2.258 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000456754285 247398611 /nfs/dbraw/zinc/39/86/11/247398611.db2.gz BTBNRRBNIZDBDW-LBPRGKRZSA-N 0 0 311.328 2.371 10 30 DEEERN N#CCN(CC#N)C(=O)c1cc(Br)cn1C1CC1 ZINC000036859720 182849351 /nfs/dbraw/zinc/84/93/51/182849351.db2.gz ZLGFZXHLYKMVIL-UHFFFAOYSA-N 0 0 307.151 2.075 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@H]1COc2c1ccc(C)c2C ZINC000458253512 248235286 /nfs/dbraw/zinc/23/52/86/248235286.db2.gz IGPCZSCBLQOEEG-HIFRSBDPSA-N 0 0 304.390 2.363 10 30 DEEERN C=CCC[C@H](NC(=O)N1CCC[C@@](O)(CO)C1)c1ccccc1 ZINC000458566329 248377289 /nfs/dbraw/zinc/37/72/89/248377289.db2.gz HFPCNXTZXUCELM-WMZOPIPTSA-N 0 0 318.417 2.223 10 30 DEEERN C[C@H](CSCCOc1cccc(C#N)c1)CS(C)(=O)=O ZINC000159727842 291657736 /nfs/dbraw/zinc/65/77/36/291657736.db2.gz UZZLMXNJTYDRBE-GFCCVEGCSA-N 0 0 313.444 2.351 10 30 DEEERN N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC(F)(F)C2)cc1 ZINC000491831571 248966767 /nfs/dbraw/zinc/96/67/67/248966767.db2.gz JHQXNIXDLLAPTJ-LBPRGKRZSA-N 0 0 307.300 2.191 10 30 DEEERN N#CCCN(CCC#N)c1ncnc(N2CCCCCC2)c1N ZINC000040725409 183124348 /nfs/dbraw/zinc/12/43/48/183124348.db2.gz QXSKVSDOEILFLJ-UHFFFAOYSA-N 0 0 313.409 2.073 10 30 DEEERN N#C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)C2CC2)CC1 ZINC000041260057 183182012 /nfs/dbraw/zinc/18/20/12/183182012.db2.gz CWSMTEIMEUOAKB-OAHLLOKOSA-N 0 0 303.793 2.459 10 30 DEEERN Cc1cc2cc(CC(=O)N3CCC(C#N)CC3)ccc2[nH]c1=O ZINC000041110533 183166431 /nfs/dbraw/zinc/16/64/31/183166431.db2.gz XPEJCZDRHPQQFR-UHFFFAOYSA-N 0 0 309.369 2.141 10 30 DEEERN CCN(CCC#N)S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000042454388 183271874 /nfs/dbraw/zinc/27/18/74/183271874.db2.gz ZNYCYYJWDNPQQG-UHFFFAOYSA-N 0 0 311.363 2.136 10 30 DEEERN Cc1ccc(C(=O)N(C)Cc2cc(C#CCO)cs2)n1C ZINC000042401044 183264107 /nfs/dbraw/zinc/26/41/07/183264107.db2.gz IBRLADGFFRMDJW-UHFFFAOYSA-N 0 0 302.399 2.011 10 30 DEEERN COC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C#N)c2)CC(C)(C)O1 ZINC000285114957 218295199 /nfs/dbraw/zinc/29/51/99/218295199.db2.gz RDMVAEKOLKPUKO-ZDUSSCGKSA-N 0 0 305.334 2.097 10 30 DEEERN Cc1sc2ncnc(N3CCN([C@@H](C)C#N)CC3)c2c1C ZINC000109462976 194265526 /nfs/dbraw/zinc/26/55/26/194265526.db2.gz JVUWHJCFPGSZPC-JTQLQIEISA-N 0 0 301.419 2.342 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)c2oc(C3CC3)nc2C)c1 ZINC000273463049 210794213 /nfs/dbraw/zinc/79/42/13/210794213.db2.gz GYBYIHBTRPTPLE-UHFFFAOYSA-N 0 0 323.352 2.210 10 30 DEEERN C#CCOC[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000056923076 184021682 /nfs/dbraw/zinc/02/16/82/184021682.db2.gz NOOCLANVPWIHEI-CYBMUJFWSA-N 0 0 302.330 2.097 10 30 DEEERN C#CCOC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000056923490 184021747 /nfs/dbraw/zinc/02/17/47/184021747.db2.gz UHBKOKXBQUJCRX-CYBMUJFWSA-N 0 0 316.357 2.309 10 30 DEEERN C[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccc2c(c1)OCCO2 ZINC000057989642 184065712 /nfs/dbraw/zinc/06/57/12/184065712.db2.gz POXGYBLWLQCSFP-GFCCVEGCSA-N 0 0 315.373 2.464 10 30 DEEERN Cc1nc(NC(=O)c2ccc(C#CCCO)cn2)sc1C ZINC000061862347 184190088 /nfs/dbraw/zinc/19/00/88/184190088.db2.gz ILNKWKWBCSDCGU-UHFFFAOYSA-N 0 0 301.371 2.141 10 30 DEEERN CNc1ccc(S(=O)(=O)N(C)c2cccc(C#N)c2)cc1 ZINC000061949075 184198422 /nfs/dbraw/zinc/19/84/22/184198422.db2.gz NXOREWCMCZCQKV-UHFFFAOYSA-N 0 0 301.371 2.425 10 30 DEEERN CN(C(=O)c1nc(NN)ccc1Cl)c1cccc(C#N)c1 ZINC000061949945 184198464 /nfs/dbraw/zinc/19/84/64/184198464.db2.gz PQJDLCPAYSJFLU-UHFFFAOYSA-N 0 0 301.737 2.169 10 30 DEEERN CN(c1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)c(N)c1 ZINC000061957790 184198894 /nfs/dbraw/zinc/19/88/94/184198894.db2.gz MXVMUWZMWPONRD-UHFFFAOYSA-N 0 0 305.334 2.105 10 30 DEEERN Cc1cc(N)cc(S(=O)(=O)N(C)c2ccc(C#N)cc2)c1 ZINC000061979686 184199536 /nfs/dbraw/zinc/19/95/36/184199536.db2.gz PJFRQTZGKOQOQY-UHFFFAOYSA-N 0 0 301.371 2.274 10 30 DEEERN Cc1c(N)cccc1S(=O)(=O)N(C)c1cccc(C#N)c1 ZINC000061979715 184199940 /nfs/dbraw/zinc/19/99/40/184199940.db2.gz XWCRBGJMSZKGGZ-UHFFFAOYSA-N 0 0 301.371 2.274 10 30 DEEERN CNc1ncc(Br)cc1C(=O)N(C)[C@@H](C)CC#N ZINC000063098405 184270889 /nfs/dbraw/zinc/27/08/89/184270889.db2.gz DXIZPIWZSKCIHG-QMMMGPOBSA-N 0 0 311.183 2.260 10 30 DEEERN O=C(NCCC(F)(F)F)c1cc(C#CCCO)ccc1F ZINC000063102083 184271160 /nfs/dbraw/zinc/27/11/60/184271160.db2.gz AGYCHQIATANUQG-UHFFFAOYSA-N 0 0 303.255 2.242 10 30 DEEERN C=CCN(C)C(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000119131446 194979216 /nfs/dbraw/zinc/97/92/16/194979216.db2.gz OQFYTYRZHNOGCO-AWEZNQCLSA-N 0 0 303.406 2.491 10 30 DEEERN C#CCSCCNC(=O)N[C@H](C)[C@H]1COc2ccccc21 ZINC000120078969 195091746 /nfs/dbraw/zinc/09/17/46/195091746.db2.gz FLMUTZOEURGVJB-TZMCWYRMSA-N 0 0 304.415 2.217 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCc1cccnc1-n1ccnc1)OCC ZINC000270018622 208070395 /nfs/dbraw/zinc/07/03/95/208070395.db2.gz IBIUGTBTONCSRC-OAHLLOKOSA-N 0 0 314.389 2.255 10 30 DEEERN C=CCNC(=O)N[C@H](CC)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000270153392 208214050 /nfs/dbraw/zinc/21/40/50/208214050.db2.gz WQPACYRTVNVOHF-CVEARBPZSA-N 0 0 313.405 2.440 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3sccc3C#N)[C@@H]2C1 ZINC000120165598 195109362 /nfs/dbraw/zinc/10/93/62/195109362.db2.gz GTGJBSKASRDJIF-UPJWGTAASA-N 0 0 306.387 2.028 10 30 DEEERN C=CCS(=O)(=O)CCNC(=O)N(C)[C@H](C)c1ccccc1C ZINC000273017147 210397258 /nfs/dbraw/zinc/39/72/58/210397258.db2.gz WIQNHMFCMNKWFQ-CQSZACIVSA-N 0 0 324.446 2.298 10 30 DEEERN CC1(C)CN(C(=O)c2ccccc2C#CCCO)CCS1 ZINC000159025714 197320108 /nfs/dbraw/zinc/32/01/08/197320108.db2.gz CDCMTWSIMYAPKD-UHFFFAOYSA-N 0 0 303.427 2.388 10 30 DEEERN CC1(C)CN(C(=O)c2ccc(F)cc2C#CCO)CCS1 ZINC000159024987 197319813 /nfs/dbraw/zinc/31/98/13/197319813.db2.gz LTGCZGITYNIEDJ-UHFFFAOYSA-N 0 0 307.390 2.137 10 30 DEEERN C=CCS(=O)(=O)CCNC(=O)C[C@@H]1CCCc2ccccc21 ZINC000272910075 210296600 /nfs/dbraw/zinc/29/66/00/210296600.db2.gz HPDRRIOSMZTODL-HNNXBMFYSA-N 0 0 321.442 2.214 10 30 DEEERN C=CCn1ncc(N[C@H](C)CSC)c(Br)c1=O ZINC000158593686 197286410 /nfs/dbraw/zinc/28/64/10/197286410.db2.gz QPSBXRCFRJURBU-MRVPVSSYSA-N 0 0 318.240 2.355 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158231313 197255425 /nfs/dbraw/zinc/25/54/25/197255425.db2.gz YDGSFOGUMYQJNL-IBGZPJMESA-N 0 0 321.380 2.211 10 30 DEEERN CC(C)(C)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2N)C1 ZINC000158186397 197251355 /nfs/dbraw/zinc/25/13/55/197251355.db2.gz VFXBGFZOGABFHW-LBPRGKRZSA-N 0 0 307.419 2.197 10 30 DEEERN CS[C@H](C)CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000157910925 197225974 /nfs/dbraw/zinc/22/59/74/197225974.db2.gz YRJUHPOTPDOWJO-MRVPVSSYSA-N 0 0 304.824 2.241 10 30 DEEERN C=C(Br)CN1C(=O)C(=O)c2cc(F)c(F)cc21 ZINC000157673439 197207326 /nfs/dbraw/zinc/20/73/26/197207326.db2.gz NVWNQPPCGNORPZ-UHFFFAOYSA-N 0 0 302.074 2.403 10 30 DEEERN N#C[C@]1([C@H](O)c2cccc(C(F)(F)F)c2)CCS(=O)(=O)C1 ZINC000157646168 197204735 /nfs/dbraw/zinc/20/47/35/197204735.db2.gz KQLCEOKMEBRNAU-VXGBXAGGSA-N 0 0 319.304 2.067 10 30 DEEERN C=CCn1ncc(N[C@@H](CC)COC)c(Br)c1=O ZINC000157641086 197203461 /nfs/dbraw/zinc/20/34/61/197203461.db2.gz WOOSYXPRFZPNFQ-VIFPVBQESA-N 0 0 316.199 2.029 10 30 DEEERN C#CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000157353834 197180931 /nfs/dbraw/zinc/18/09/31/197180931.db2.gz RQUQOMMTBMADEQ-VIFPVBQESA-N 0 0 316.766 2.247 10 30 DEEERN C=CCNc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000157224002 197170719 /nfs/dbraw/zinc/17/07/19/197170719.db2.gz OFAIRUJYIHXFCZ-UHFFFAOYSA-N 0 0 312.089 2.166 10 30 DEEERN N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1COc2ccccc21 ZINC000156906832 197148942 /nfs/dbraw/zinc/14/89/42/197148942.db2.gz NTIGHTDWTHIXEF-ZDUSSCGKSA-N 0 0 318.329 2.109 10 30 DEEERN C#CCCCCNC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000156491754 197118196 /nfs/dbraw/zinc/11/81/96/197118196.db2.gz DZQWLOIMMBFLDT-AWEZNQCLSA-N 0 0 302.399 2.409 10 30 DEEERN N#Cc1ccccc1CS(=O)(=O)NC[C@@H]1CCCCS1 ZINC000156423717 197112692 /nfs/dbraw/zinc/11/26/92/197112692.db2.gz XIWMTWGOVBKIFJ-AWEZNQCLSA-N 0 0 310.444 2.263 10 30 DEEERN O=C(NCc1cc(C#CCCO)cs1)[C@@H]1CCCCS1 ZINC000156275434 197100609 /nfs/dbraw/zinc/10/06/09/197100609.db2.gz PBKDJIQWHLYFNU-AWEZNQCLSA-N 0 0 309.456 2.384 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccc3c(c2F)CCNC3=O)c1 ZINC000560152836 291923559 /nfs/dbraw/zinc/92/35/59/291923559.db2.gz GZJYZWCRJVIYJJ-UHFFFAOYSA-N 0 0 323.327 2.164 10 30 DEEERN C=CCN(C(=O)c1cnn2cc(Br)cnc12)C1CC1 ZINC000271581003 209032233 /nfs/dbraw/zinc/03/22/33/209032233.db2.gz VJLSSESBYNVZHS-UHFFFAOYSA-N 0 0 321.178 2.282 10 30 DEEERN C=CCCS(=O)(=O)NCCc1ccc(OC)cc1Cl ZINC000121620072 195318781 /nfs/dbraw/zinc/31/87/81/195318781.db2.gz QHTPAWNUJFOMQW-UHFFFAOYSA-N 0 0 303.811 2.387 10 30 DEEERN COCc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)o1 ZINC000122074262 195397217 /nfs/dbraw/zinc/39/72/17/195397217.db2.gz SKDRDFPMVWIFDG-GFCCVEGCSA-N 0 0 314.345 2.234 10 30 DEEERN C[C@H](NS(=O)(=O)c1ccc(C#CCCO)cc1)C(C)(C)C ZINC000123390301 195575848 /nfs/dbraw/zinc/57/58/48/195575848.db2.gz AJNQEVBHVSELSJ-ZDUSSCGKSA-N 0 0 309.431 2.133 10 30 DEEERN C#CCN[C@@](C)(C(=O)OC)c1ccc(Br)cc1F ZINC000127532459 195886488 /nfs/dbraw/zinc/88/64/88/195886488.db2.gz OAWPRFYMBWMISH-CYBMUJFWSA-N 0 0 314.154 2.199 10 30 DEEERN C[C@H](CC(=O)N1CCCC(C)(C)[C@@H]1C#N)N1CCCCC1=O ZINC000407985391 533625602 /nfs/dbraw/zinc/62/56/02/533625602.db2.gz NTIIRSOHWFKSLQ-KGLIPLIRSA-N 0 0 305.422 2.318 10 30 DEEERN CC(=O)N1CCc2cc(NC(=O)c3ccnc(C#N)c3)ccc21 ZINC000195045362 132543779 /nfs/dbraw/zinc/54/37/79/132543779.db2.gz LCQBMLYAAUGWNT-UHFFFAOYSA-N 0 0 306.325 2.115 10 30 DEEERN C[C@@H]1CSCCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000172614561 288422455 /nfs/dbraw/zinc/42/24/55/288422455.db2.gz QGSJPKRJHYKAMV-SECBINFHSA-N 0 0 316.835 2.338 10 30 DEEERN Cc1nc(C)c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)s1 ZINC000183687112 144933553 /nfs/dbraw/zinc/93/35/53/144933553.db2.gz NAKHSNVNYGLECU-UHFFFAOYSA-N 0 0 324.369 2.465 10 30 DEEERN N#Cc1ccc(C2(C(=O)N[C@H]3Cc4ccccc4[C@@H]3O)CC2)cc1 ZINC000188792144 145017126 /nfs/dbraw/zinc/01/71/26/145017126.db2.gz MTXXHEDYYFNBLE-ROUUACIJSA-N 0 0 318.376 2.364 10 30 DEEERN N#Cc1cc(C(=O)Nc2ccc(CN3CCCC3=O)cc2)ccn1 ZINC000192758828 145078304 /nfs/dbraw/zinc/07/83/04/145078304.db2.gz JRDSYQQNCAAJPN-UHFFFAOYSA-N 0 0 320.352 2.328 10 30 DEEERN N#Cc1cc(C(=O)NCc2nnc(-c3ccccc3)s2)ccn1 ZINC000193531427 145086809 /nfs/dbraw/zinc/08/68/09/145086809.db2.gz OKMYFXZMQHLPIR-UHFFFAOYSA-N 0 0 321.365 2.402 10 30 DEEERN C[C@@H]1CCOCCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000367671621 296591063 /nfs/dbraw/zinc/59/10/63/296591063.db2.gz KAUMQQXHSVJLKJ-SNVBAGLBSA-N 0 0 314.794 2.011 10 30 DEEERN N#Cc1ccsc1C(=O)NC[C@H](CO)Cc1ccc(F)cc1 ZINC000359470887 147333392 /nfs/dbraw/zinc/33/33/92/147333392.db2.gz GAKGEYJYRZQAOE-GFCCVEGCSA-N 0 0 318.373 2.340 10 30 DEEERN N#Cc1cc(F)c(N[C@@H]2CCN(C3CCOCC3)C2=O)c(F)c1 ZINC000371823630 148143657 /nfs/dbraw/zinc/14/36/57/148143657.db2.gz FRXURSYBJPMXBB-CQSZACIVSA-N 0 0 321.327 2.028 10 30 DEEERN Cn1cc(C[C@H]2CCN(C(=O)c3sccc3C#N)C2)cn1 ZINC000371844648 148146302 /nfs/dbraw/zinc/14/63/02/148146302.db2.gz RKZOTUPYTMXEFP-LLVKDONJSA-N 0 0 300.387 2.058 10 30 DEEERN N#Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000408129328 148567027 /nfs/dbraw/zinc/56/70/27/148567027.db2.gz OLARRIQQJIEVLF-INIZCTEOSA-N 0 0 311.385 2.033 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](CO)c1ccccc1 ZINC000127191528 401724180 /nfs/dbraw/zinc/72/41/80/401724180.db2.gz WQZMDWACDRGOKF-WMLDXEAASA-N 0 0 324.380 2.218 10 30 DEEERN CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)c1cnc(C#N)cn1 ZINC000126469139 401695445 /nfs/dbraw/zinc/69/54/45/401695445.db2.gz HSSOUHCBIQGSRK-QGZVFWFLSA-N 0 0 322.416 2.234 10 30 DEEERN CCC(C)(C)NC(=O)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000129335505 401802884 /nfs/dbraw/zinc/80/28/84/401802884.db2.gz XLZVOHCXFFYGRP-UHFFFAOYSA-N 0 0 311.389 2.430 10 30 DEEERN CCCOc1ccc(Br)cc1/C=N/NC(N)=S ZINC000013747762 401804055 /nfs/dbraw/zinc/80/40/55/401804055.db2.gz NFKFOBOIAZRHMX-VGOFMYFVSA-N 0 0 316.224 2.405 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cn(C)nc1C ZINC000113038929 401766577 /nfs/dbraw/zinc/76/65/77/401766577.db2.gz RWBWTUWUGRISOV-UHFFFAOYSA-N 0 0 314.345 2.465 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCOC2(CCC2)C1 ZINC000128335010 401772489 /nfs/dbraw/zinc/77/24/89/401772489.db2.gz ZROQOMIJEHKJKU-ZDUSSCGKSA-N 0 0 300.358 2.107 10 30 DEEERN CN1C(=O)C[C@@H](C(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccnc1 ZINC000114113288 401792147 /nfs/dbraw/zinc/79/21/47/401792147.db2.gz IFKDAOVEWAOJIW-WBVHZDCISA-N 0 0 320.352 2.111 10 30 DEEERN C=CCCCN(C)C(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC000076486235 401796621 /nfs/dbraw/zinc/79/66/21/401796621.db2.gz GSNVWLYCZRTMRR-UHFFFAOYSA-N 0 0 300.358 2.378 10 30 DEEERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000115171112 401820649 /nfs/dbraw/zinc/82/06/49/401820649.db2.gz HLFCBMLYFLJDSR-HNNXBMFYSA-N 0 0 314.389 2.423 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ccc(C#N)cn2)C1 ZINC000077742055 401828318 /nfs/dbraw/zinc/82/83/18/401828318.db2.gz ASWWJTOZBPULAU-GFCCVEGCSA-N 0 0 316.361 2.149 10 30 DEEERN COCCC1(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CCC1 ZINC000130515432 401834514 /nfs/dbraw/zinc/83/45/14/401834514.db2.gz OFAUJHFMYHTOIC-UHFFFAOYSA-N 0 0 314.385 2.355 10 30 DEEERN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116578145 401855526 /nfs/dbraw/zinc/85/55/26/401855526.db2.gz JLQJFXOWVJSKMP-AWEZNQCLSA-N 0 0 309.325 2.453 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116772936 401858487 /nfs/dbraw/zinc/85/84/87/401858487.db2.gz NOOWVWKIZQPAKI-CJNGLKHVSA-N 0 0 320.437 2.115 10 30 DEEERN CCOCCN1CCN(C(=O)c2ccc(C#N)cc2)C[C@H]1CC ZINC000116768867 401858513 /nfs/dbraw/zinc/85/85/13/401858513.db2.gz JHONSMBOCRFEHL-QGZVFWFLSA-N 0 0 315.417 2.131 10 30 DEEERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)n1 ZINC000116777601 401858675 /nfs/dbraw/zinc/85/86/75/401858675.db2.gz PNJHIAKHDLMQHE-INIZCTEOSA-N 0 0 323.400 2.319 10 30 DEEERN C=CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000116906052 401864273 /nfs/dbraw/zinc/86/42/73/401864273.db2.gz JHNRAZOFLIALEB-VIFPVBQESA-N 0 0 317.794 2.370 10 30 DEEERN O=C(C#Cc1ccccc1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000130000503 401814908 /nfs/dbraw/zinc/81/49/08/401814908.db2.gz WPNKHGJNAYMYFI-SJLPKXTDSA-N 0 0 322.408 2.040 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCCN1c2ccccc2CC1=O ZINC000119100979 401925554 /nfs/dbraw/zinc/92/55/54/401925554.db2.gz DGHSSLGGJVLVEH-UHFFFAOYSA-N 0 0 319.364 2.186 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@H]2CCCc3cc(F)ccc32)CCO1 ZINC000119100370 401925618 /nfs/dbraw/zinc/92/56/18/401925618.db2.gz FJDHEWVMCNHXFL-HIFRSBDPSA-N 0 0 303.337 2.137 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000119187605 401932165 /nfs/dbraw/zinc/93/21/65/401932165.db2.gz VONCCYXRHYNAGY-CYBMUJFWSA-N 0 0 311.341 2.317 10 30 DEEERN COc1ccc(OCCN(C)C(=O)c2cc(C#N)cn2C)cc1 ZINC000080943514 401892822 /nfs/dbraw/zinc/89/28/22/401892822.db2.gz YAXLHFSVHJIZGN-UHFFFAOYSA-N 0 0 313.357 2.056 10 30 DEEERN CCc1cnc(CCNC(=O)COc2ccccc2C#N)s1 ZINC000081205563 401894317 /nfs/dbraw/zinc/89/43/17/401894317.db2.gz UDIBACZZTKIYQR-UHFFFAOYSA-N 0 0 315.398 2.315 10 30 DEEERN N#CCCN(CC(=O)N1CCC[C@H](C(F)(F)F)C1)CC1CC1 ZINC000081514831 401896520 /nfs/dbraw/zinc/89/65/20/401896520.db2.gz LQXSTXZNXKENGQ-ZDUSSCGKSA-N 0 0 317.355 2.413 10 30 DEEERN COc1ccc(O[C@@H](C)CNC(=O)c2cc(C#N)cn2C)cc1 ZINC000081549144 401896768 /nfs/dbraw/zinc/89/67/68/401896768.db2.gz XBHZDCUYZQNHAX-LBPRGKRZSA-N 0 0 313.357 2.103 10 30 DEEERN N#CC1(C(=O)N[C@H]2CCCN(c3cccnn3)C2)CCCCC1 ZINC000118672505 401903929 /nfs/dbraw/zinc/90/39/29/401903929.db2.gz FCOOSTVVSYQOEJ-AWEZNQCLSA-N 0 0 313.405 2.036 10 30 DEEERN COc1ccc(CSCC(=O)NC[C@@H]2CCCO2)cc1C#N ZINC000135332580 401936271 /nfs/dbraw/zinc/93/62/71/401936271.db2.gz RQYKLTPIIRFSOC-AWEZNQCLSA-N 0 0 320.414 2.095 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000119266223 401936962 /nfs/dbraw/zinc/93/69/62/401936962.db2.gz PUXJSVLEBNGUAJ-AWEZNQCLSA-N 0 0 310.357 2.352 10 30 DEEERN O=C(ON1C(=O)CCC1=O)N1CCCC[C@H]1c1ccccc1 ZINC000145854559 401991514 /nfs/dbraw/zinc/99/15/14/401991514.db2.gz WHGHQZYARDIEDU-ZDUSSCGKSA-N 0 0 302.330 2.414 10 30 DEEERN O=C(ON1C(=O)CCC1=O)N1CCCC[C@@H]1c1ccccc1 ZINC000145854344 401991593 /nfs/dbraw/zinc/99/15/93/401991593.db2.gz WHGHQZYARDIEDU-CYBMUJFWSA-N 0 0 302.330 2.414 10 30 DEEERN Cc1ccc(Cl)cc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000372232209 404489965 /nfs/dbraw/zinc/48/99/65/404489965.db2.gz GQGLFSMJJUJUDL-AWEZNQCLSA-N 0 0 303.793 2.461 10 30 DEEERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C1(C#N)CCCCC1 ZINC000151167465 402020842 /nfs/dbraw/zinc/02/08/42/402020842.db2.gz YPOGEPMTDQOAKA-GFCCVEGCSA-N 0 0 301.394 2.266 10 30 DEEERN C#CCSCCNC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000121477378 402038521 /nfs/dbraw/zinc/03/85/21/402038521.db2.gz VBTBQMLJCCLSSE-AWEZNQCLSA-N 0 0 320.462 2.250 10 30 DEEERN CN(C(=O)c1ccc(C#N)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000122489339 402080905 /nfs/dbraw/zinc/08/09/05/402080905.db2.gz JCCSOGLFKQFHDA-INIZCTEOSA-N 0 0 321.384 2.089 10 30 DEEERN C[C@H](CC(=O)NC1(C#N)CCCC1)NC(=O)C1CCCCC1 ZINC000067152313 402153433 /nfs/dbraw/zinc/15/34/33/402153433.db2.gz PFNDTTAWLPMWSH-CYBMUJFWSA-N 0 0 305.422 2.414 10 30 DEEERN C=CCc1ccc(OCC(=O)N(C)[C@@H]2CCOC2)c(OC)c1 ZINC000106840267 402217579 /nfs/dbraw/zinc/21/75/79/402217579.db2.gz YGOKGHFXYUBXIV-CQSZACIVSA-N 0 0 305.374 2.050 10 30 DEEERN C=CCCCCCN(C)C(=O)c1cccc(S(N)(=O)=O)c1C ZINC000155636578 402263502 /nfs/dbraw/zinc/26/35/02/402263502.db2.gz ISEQZIJPXGNKPB-UHFFFAOYSA-N 0 0 324.446 2.461 10 30 DEEERN N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CNC(=O)C3)cc2)c1 ZINC000108978114 402265690 /nfs/dbraw/zinc/26/56/90/402265690.db2.gz UGCYPZJVEVXSQQ-CYBMUJFWSA-N 0 0 321.336 2.425 10 30 DEEERN Cc1ccc2nc(CSCC(=O)N[C@@H](C#N)C3CC3)cn2c1 ZINC000108904696 402264532 /nfs/dbraw/zinc/26/45/32/402264532.db2.gz XZRZYZRJLYKZDM-AWEZNQCLSA-N 0 0 314.414 2.294 10 30 DEEERN Cc1ccc(N2CCC[C@H](Nc3cnc(C#N)cn3)C2=O)cc1 ZINC000125731772 402247415 /nfs/dbraw/zinc/24/74/15/402247415.db2.gz MKGVJJMBUSOKHE-HNNXBMFYSA-N 0 0 307.357 2.264 10 30 DEEERN Cc1cnn(Cc2cc(C(=O)NC3(C#N)CCCCC3)no2)c1 ZINC000125750810 402248217 /nfs/dbraw/zinc/24/82/17/402248217.db2.gz NYUPTVGQUHXOAO-UHFFFAOYSA-N 0 0 313.361 2.184 10 30 DEEERN COc1ccc(OC)c([C@H](C)NC(=O)C2(C#N)CCOCC2)c1 ZINC000109138612 402268597 /nfs/dbraw/zinc/26/85/97/402268597.db2.gz HDPJPNFFJGNIMN-LBPRGKRZSA-N 0 0 318.373 2.201 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NCCCc2cccc(F)c2)cn1 ZINC000109345789 402271343 /nfs/dbraw/zinc/27/13/43/402271343.db2.gz OUPTYGPYHFGKTF-UHFFFAOYSA-N 0 0 319.361 2.003 10 30 DEEERN C=C(C)CNC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000156285155 402279413 /nfs/dbraw/zinc/27/94/13/402279413.db2.gz OOKPBBFAESGIKA-UKRRQHHQSA-N 0 0 321.808 2.487 10 30 DEEERN C=C(C)CNC(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000156434245 402282243 /nfs/dbraw/zinc/28/22/43/402282243.db2.gz AAXDGTYTJNLAHU-UHFFFAOYSA-N 0 0 307.438 2.433 10 30 DEEERN Cc1ccc(N2CCC(NC(=O)NCCCCC#N)CC2)nc1 ZINC000176389168 402304870 /nfs/dbraw/zinc/30/48/70/402304870.db2.gz HHWBDVOWDIEXFN-UHFFFAOYSA-N 0 0 315.421 2.352 10 30 DEEERN Cc1cc(C(=O)N2CCCCC2)ccc1COS(C)(=O)=O ZINC000224758211 402314871 /nfs/dbraw/zinc/31/48/71/402314871.db2.gz VWAYQHIYUKVARE-UHFFFAOYSA-N 0 0 311.403 2.097 10 30 DEEERN N#Cc1cc(NC(=O)N2CC[C@](O)(C(F)(F)F)C2)ccc1F ZINC000176546648 402318319 /nfs/dbraw/zinc/31/83/19/402318319.db2.gz MQGMBIXSRAGWCX-GFCCVEGCSA-N 0 0 317.242 2.228 10 30 DEEERN N#Cc1ccc(N[C@@H](CO)c2cccc(Br)c2)nn1 ZINC000160673421 402356689 /nfs/dbraw/zinc/35/66/89/402356689.db2.gz ONDFZNYNURGIDG-LBPRGKRZSA-N 0 0 319.162 2.256 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000185513291 402357990 /nfs/dbraw/zinc/35/79/90/402357990.db2.gz NEURDPXMVSOTJI-HOCLYGCPSA-N 0 0 302.418 2.404 10 30 DEEERN CC(C)c1nnc2n1C[C@H](NC(=O)c1cc(C#N)cs1)CC2 ZINC000177017379 402359906 /nfs/dbraw/zinc/35/99/06/402359906.db2.gz HHQBMGJCEZRRDI-LLVKDONJSA-N 0 0 315.402 2.079 10 30 DEEERN C=CC[C@H](CO)NC(=O)COc1cc(Cl)ccc1Cl ZINC000185715763 402371282 /nfs/dbraw/zinc/37/12/82/402371282.db2.gz PYQMBOFRTLUHEJ-SNVBAGLBSA-N 0 0 304.173 2.425 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(Br)cnc1Cl ZINC000185741103 402373281 /nfs/dbraw/zinc/37/32/81/402373281.db2.gz IPZHSQJAHSAEDE-MRVPVSSYSA-N 0 0 319.586 2.164 10 30 DEEERN CCCn1cc(CNc2cnn(-c3ncccc3C#N)c2)cn1 ZINC000185849729 402382609 /nfs/dbraw/zinc/38/26/09/402382609.db2.gz DJRWMXHMMVJDMP-UHFFFAOYSA-N 0 0 307.361 2.358 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(N2CCCCCC2)nc1 ZINC000185887579 402385615 /nfs/dbraw/zinc/38/56/15/402385615.db2.gz HKGXHFJDDUPQNW-HNNXBMFYSA-N 0 0 303.406 2.129 10 30 DEEERN C#CCCCNC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000176668393 402327399 /nfs/dbraw/zinc/32/73/99/402327399.db2.gz LZIVQRQBTMNRSU-GFCCVEGCSA-N 0 0 306.797 2.026 10 30 DEEERN N#Cc1nc(N)n(Cc2ccc(Br)c(F)c2)c1C#N ZINC000176729520 402331622 /nfs/dbraw/zinc/33/16/22/402331622.db2.gz SVKWFSXJGVUXJC-UHFFFAOYSA-N 0 0 320.125 2.159 10 30 DEEERN O=C1[C@@H]([n+]2cccc([O-])c2)CCN1c1ccc(Cl)c(F)c1 ZINC000160083359 402336096 /nfs/dbraw/zinc/33/60/96/402336096.db2.gz LXSKBXYFSPJAEO-AWEZNQCLSA-O 0 0 307.732 2.450 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000186149914 402405405 /nfs/dbraw/zinc/40/54/05/402405405.db2.gz WYDHQZLXHGXIIK-STQMWFEESA-N 0 0 324.446 2.456 10 30 DEEERN C[C@@H](CNC(=O)c1cc(C#N)cn1C)Oc1ccc(F)cc1 ZINC000177475589 402406569 /nfs/dbraw/zinc/40/65/69/402406569.db2.gz GVBIRHGEGQACTQ-NSHDSACASA-N 0 0 301.321 2.233 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC1(C#N)CCSCC1 ZINC000162297044 402415539 /nfs/dbraw/zinc/41/55/39/402415539.db2.gz IRUQWQMPANUKIO-GFCCVEGCSA-N 0 0 315.398 2.231 10 30 DEEERN Cc1sc(C(=O)NC2(C#N)CCSCC2)cc1[N+](=O)[O-] ZINC000162400760 402418846 /nfs/dbraw/zinc/41/88/46/402418846.db2.gz KWEGXRAYOGPGJN-UHFFFAOYSA-N 0 0 311.388 2.484 10 30 DEEERN Cc1ccccc1CN1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000177643105 402422549 /nfs/dbraw/zinc/42/25/49/402422549.db2.gz AKWFRHMMQPKIDX-UHFFFAOYSA-N 0 0 322.412 2.163 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000186396586 402427843 /nfs/dbraw/zinc/42/78/43/402427843.db2.gz OIMJFQKZUPVCKG-TZMCWYRMSA-N 0 0 307.350 2.282 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)C(=O)NCc1ccccc1 ZINC000162778774 402431493 /nfs/dbraw/zinc/43/14/93/402431493.db2.gz SLQUAWDUGWHVND-AWEZNQCLSA-N 0 0 321.380 2.301 10 30 DEEERN C=CC[C@H](C(=O)NC[C@@]1(CCO)CCOC1)c1ccccc1 ZINC000186548868 402441143 /nfs/dbraw/zinc/44/11/43/402441143.db2.gz ZXAPCLUHXWTDPY-FUHWJXTLSA-N 0 0 303.402 2.252 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC000186568402 402442749 /nfs/dbraw/zinc/44/27/49/402442749.db2.gz DJDQODXOHDPROZ-JKSUJKDBSA-N 0 0 320.433 2.025 10 30 DEEERN C[C@@H](NC(=O)c1cccc(F)c1C#N)c1nnc2n1CCCC2 ZINC000186581055 402443997 /nfs/dbraw/zinc/44/39/97/402443997.db2.gz YZQUOBUNKYQBHC-SNVBAGLBSA-N 0 0 313.336 2.116 10 30 DEEERN CO[C@@H](C)c1noc(Cn2c(C)nnc2-c2cccc(C#N)c2)n1 ZINC000177305529 402389536 /nfs/dbraw/zinc/38/95/36/402389536.db2.gz PKLDTSDYPAOHAK-JTQLQIEISA-N 0 0 324.344 2.264 10 30 DEEERN C=CCN(C)C(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000161595125 402392521 /nfs/dbraw/zinc/39/25/21/402392521.db2.gz YTBSPZWDOLGVCU-GFCCVEGCSA-N 0 0 304.415 2.406 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000186660892 402452722 /nfs/dbraw/zinc/45/27/22/402452722.db2.gz NYUPXULWKAOXFM-NSHDSACASA-N 0 0 323.336 2.229 10 30 DEEERN COC(=O)c1scc(C)c1NC(=O)c1cc(C#N)cn1C ZINC000186948666 402473228 /nfs/dbraw/zinc/47/32/28/402473228.db2.gz YJPGKUMWOAXHKY-UHFFFAOYSA-N 0 0 303.343 2.306 10 30 DEEERN N#Cc1cc(Cl)ccc1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000186986427 402475723 /nfs/dbraw/zinc/47/57/23/402475723.db2.gz BVDZFXXTRQGMIY-MRXNPFEDSA-N 0 0 316.792 2.309 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(C(=O)C3(C#N)CCCCC3)[C@H]2C1 ZINC000245689964 402480100 /nfs/dbraw/zinc/48/01/00/402480100.db2.gz JGUBFFJGHXUBOT-QLFBSQMISA-N 0 0 306.406 2.255 10 30 DEEERN C=CCNC(=O)N[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000189688652 402552517 /nfs/dbraw/zinc/55/25/17/402552517.db2.gz RUSIVAPZRMMVEQ-AWEZNQCLSA-N 0 0 301.390 2.202 10 30 DEEERN CCN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc(C#N)cc1C ZINC000189902473 402565628 /nfs/dbraw/zinc/56/56/28/402565628.db2.gz YGVQOGAYOUULKC-GFCCVEGCSA-N 0 0 300.280 2.252 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NCCCc1ccccn1 ZINC000178601589 402516174 /nfs/dbraw/zinc/51/61/74/402516174.db2.gz QCRMRAXIWJYCCJ-AWEZNQCLSA-N 0 0 309.369 2.470 10 30 DEEERN CC[C@H](O)CN(CC(=O)N(CC)CCC#N)c1ccccc1 ZINC000170715714 402516480 /nfs/dbraw/zinc/51/64/80/402516480.db2.gz GFLUQKUMJMWHAX-INIZCTEOSA-N 0 0 303.406 2.026 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000188496958 402520974 /nfs/dbraw/zinc/52/09/74/402520974.db2.gz KMDVHBNUNUUKDH-MLGOLLRUSA-N 0 0 306.410 2.020 10 30 DEEERN COC(=O)[C@H](C)N(C(=O)c1ccc(C#N)cc1C)C1CCC1 ZINC000190357574 402594998 /nfs/dbraw/zinc/59/49/98/402594998.db2.gz NPJWFOMLDULRRA-LBPRGKRZSA-N 0 0 300.358 2.423 10 30 DEEERN Cc1nnc([C@H](NC(=O)NCCCCC#N)c2ccccc2)[nH]1 ZINC000171689684 402610008 /nfs/dbraw/zinc/61/00/08/402610008.db2.gz FYIAMFBUHISPQK-CQSZACIVSA-N 0 0 312.377 2.196 10 30 DEEERN CN1CCO[C@H](CNc2c(C#N)cnc3c(F)cc(F)cc32)C1 ZINC000171819380 402625256 /nfs/dbraw/zinc/62/52/56/402625256.db2.gz LRVOJLSDMMDQRZ-GFCCVEGCSA-N 0 0 318.327 2.127 10 30 DEEERN Cc1ccc(OC2CCN(C(=O)c3cc(C#N)cn3C)CC2)nc1 ZINC000181193425 402637618 /nfs/dbraw/zinc/63/76/18/402637618.db2.gz LTHASXNTLDDPLK-UHFFFAOYSA-N 0 0 324.384 2.284 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc1 ZINC000172433740 402655766 /nfs/dbraw/zinc/65/57/66/402655766.db2.gz BTCDMXYLKSZCKX-UONOGXRCSA-N 0 0 302.374 2.025 10 30 DEEERN CC[C@@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CCS1 ZINC000173794769 402712846 /nfs/dbraw/zinc/71/28/46/402712846.db2.gz DOAIAFSXWIBCFF-OAHLLOKOSA-N 0 0 319.430 2.474 10 30 DEEERN CC[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000173798378 402713105 /nfs/dbraw/zinc/71/31/05/402713105.db2.gz GOCILJKTVCKOKZ-HIFRSBDPSA-N 0 0 317.389 2.146 10 30 DEEERN C[C@H](NS(=O)(=O)CCCC#N)c1cccc(-n2ccnc2)c1 ZINC000173964465 402721798 /nfs/dbraw/zinc/72/17/98/402721798.db2.gz WIUXDWTXTXNILD-ZDUSSCGKSA-N 0 0 318.402 2.156 10 30 DEEERN Cc1cccc(-n2nnc3c2C(=NO)c2ccccc2C3=O)c1 ZINC000254291841 402670372 /nfs/dbraw/zinc/67/03/72/402670372.db2.gz ATDGLJXHVDFUTC-UHFFFAOYSA-N 0 0 304.309 2.347 10 30 DEEERN CCOC(=O)[C@H](NCc1ccc(C#N)o1)c1cccc(O)c1 ZINC000191517837 402675164 /nfs/dbraw/zinc/67/51/64/402675164.db2.gz BCZBIEYFSLWWRN-OAHLLOKOSA-N 0 0 300.314 2.251 10 30 DEEERN COCc1ccc(C(=O)NCCOc2ccc(C#N)cc2)o1 ZINC000174158663 402729020 /nfs/dbraw/zinc/72/90/20/402729020.db2.gz RZZHMKAISUBAAP-UHFFFAOYSA-N 0 0 300.314 2.106 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000183013166 402732836 /nfs/dbraw/zinc/73/28/36/402732836.db2.gz HNCUJGCTPUJYDG-HNNXBMFYSA-N 0 0 319.405 2.227 10 30 DEEERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cc(C#N)ccc1F ZINC000174418463 402739931 /nfs/dbraw/zinc/73/99/31/402739931.db2.gz VTJNPWLHPNURDL-UHFFFAOYSA-N 0 0 314.276 2.239 10 30 DEEERN COc1cccc(F)c1[C@@H](C)NC(=O)C1(C#N)CCOCC1 ZINC000174461817 402742108 /nfs/dbraw/zinc/74/21/08/402742108.db2.gz OWHYROWZDYFWLM-LLVKDONJSA-N 0 0 306.337 2.332 10 30 DEEERN CCN(CC)c1ccc(CNC(=O)c2ccnc(C#N)c2)cn1 ZINC000192736753 402746844 /nfs/dbraw/zinc/74/68/44/402746844.db2.gz OBQQAWCJVVWSFA-UHFFFAOYSA-N 0 0 309.373 2.124 10 30 DEEERN N#Cc1cc(C(=O)Nc2ccn(Cc3ccccc3)n2)ccn1 ZINC000192780285 402749915 /nfs/dbraw/zinc/74/99/15/402749915.db2.gz BPDLCPYGJZGZJM-UHFFFAOYSA-N 0 0 303.325 2.450 10 30 DEEERN Cc1cccc(NC(=O)C(=O)NCCc2ccsc2)c1C#N ZINC000174644103 402750234 /nfs/dbraw/zinc/75/02/34/402750234.db2.gz VZHTXQKABBPEAD-UHFFFAOYSA-N 0 0 313.382 2.226 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cnn(-c2ccccc2)c1C ZINC000183297303 402754131 /nfs/dbraw/zinc/75/41/31/402754131.db2.gz VGQRDDXIPBUSIV-ZDUSSCGKSA-N 0 0 300.362 2.239 10 30 DEEERN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCC1(C)CCC1 ZINC000193125210 402766126 /nfs/dbraw/zinc/76/61/26/402766126.db2.gz CRYWCVFURPSRLM-UHFFFAOYSA-N 0 0 316.405 2.360 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(Br)nc1C ZINC000183761280 402796106 /nfs/dbraw/zinc/79/61/06/402796106.db2.gz CSYFAUOSFZUGAA-SECBINFHSA-N 0 0 314.183 2.211 10 30 DEEERN C=CCSCCNC(=O)Cn1ccc(=O)c2ccccc21 ZINC000194474833 402799251 /nfs/dbraw/zinc/79/92/51/402799251.db2.gz AHUUFYBIOSYOCY-UHFFFAOYSA-N 0 0 302.399 2.037 10 30 DEEERN CN(C(=O)CCc1ccc2c(c1)OCCO2)C1(C#N)CCC1 ZINC000194512007 402801011 /nfs/dbraw/zinc/80/10/11/402801011.db2.gz AHLLWQUQJFLAOJ-UHFFFAOYSA-N 0 0 300.358 2.295 10 30 DEEERN C=CCNS(=O)(=O)c1cccc(C(=O)NC2(CC)CCC2)c1 ZINC000175461065 402808325 /nfs/dbraw/zinc/80/83/25/402808325.db2.gz DBLGFNRHICFBKM-UHFFFAOYSA-N 0 0 322.430 2.213 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000183627946 402783136 /nfs/dbraw/zinc/78/31/36/402783136.db2.gz LDENECKLAMMHCB-YPMHNXCESA-N 0 0 312.797 2.344 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000183635210 402783622 /nfs/dbraw/zinc/78/36/22/402783622.db2.gz KLAIYWBPJAHJQS-DZGCQCFKSA-N 0 0 314.389 2.170 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000183638351 402784293 /nfs/dbraw/zinc/78/42/93/402784293.db2.gz KCAQOLMNHBIRBG-DZGCQCFKSA-N 0 0 314.389 2.170 10 30 DEEERN COc1cccc2c1nc(NC(=O)c1cc(C#N)cn1C)n2C ZINC000184454239 402844840 /nfs/dbraw/zinc/84/48/40/402844840.db2.gz BYJITDOUEOXEAC-UHFFFAOYSA-N 0 0 309.329 2.044 10 30 DEEERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cccc(SCC#N)c1 ZINC000176041936 402849662 /nfs/dbraw/zinc/84/96/62/402849662.db2.gz DYZVMJHUGGMVHB-AAEUAGOBSA-N 0 0 317.414 2.028 10 30 DEEERN C=CCOc1cccc(N2C(=O)N[C@@]3(CCSC3)C2=O)c1 ZINC000278087733 402854089 /nfs/dbraw/zinc/85/40/89/402854089.db2.gz KKLMXKALEKTOLK-OAHLLOKOSA-N 0 0 304.371 2.183 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)[C@H](OC)c1ccc(F)cc1 ZINC000273394582 403000962 /nfs/dbraw/zinc/00/09/62/403000962.db2.gz OCZFWLOEJHQVRV-GLQYFDAESA-N 0 0 310.369 2.138 10 30 DEEERN C=CC[C@H](CO)Nc1cc(C(=O)NC2CC2)c2ccccc2n1 ZINC000273203673 402982377 /nfs/dbraw/zinc/98/23/77/402982377.db2.gz FMIQECZCSZQIQK-CYBMUJFWSA-N 0 0 311.385 2.476 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000267301124 403034485 /nfs/dbraw/zinc/03/44/85/403034485.db2.gz KCJUWMLMYYLLED-UHFFFAOYSA-N 0 0 303.240 2.368 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1ccc(CS(C)(=O)=O)cc1 ZINC000274278123 403041070 /nfs/dbraw/zinc/04/10/70/403041070.db2.gz JNBDCDCTUJQDLF-ZDUSSCGKSA-N 0 0 309.431 2.450 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(-c2ncon2)cc1 ZINC000281237934 403061950 /nfs/dbraw/zinc/06/19/50/403061950.db2.gz FHWQCMRPMFVSCO-LSDHHAIUSA-N 0 0 313.357 2.448 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)Cc2cnc3ccccc3c2)C1=O ZINC000281510003 403070407 /nfs/dbraw/zinc/07/04/07/403070407.db2.gz WMCZGGCCJAAZDA-KRWDZBQOSA-N 0 0 323.396 2.023 10 30 DEEERN CN(C)c1ncccc1O[C@H]1CCN(c2ncccc2C#N)C1 ZINC000281989213 403110798 /nfs/dbraw/zinc/11/07/98/403110798.db2.gz VPKMKRXARGFXFS-AWEZNQCLSA-N 0 0 309.373 2.072 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cnc(C2OCCO2)s1 ZINC000283124252 403173374 /nfs/dbraw/zinc/17/33/74/403173374.db2.gz UCZNCUWSMXNNGU-UHFFFAOYSA-N 0 0 322.308 2.379 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000282461224 403154799 /nfs/dbraw/zinc/15/47/99/403154799.db2.gz KRLSCXNLBAWDRM-UHFFFAOYSA-N 0 0 323.324 2.405 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC000282508141 403155345 /nfs/dbraw/zinc/15/53/45/403155345.db2.gz FLNOPMNROQYSCQ-KRWDZBQOSA-N 0 0 319.453 2.015 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)CC(=O)Nc1c(C)cccc1C ZINC000277446885 403218813 /nfs/dbraw/zinc/21/88/13/403218813.db2.gz NZRLLHGJVZSBIP-UHFFFAOYSA-N 0 0 310.397 2.363 10 30 DEEERN C=CCCCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC ZINC000283284458 403186859 /nfs/dbraw/zinc/18/68/59/403186859.db2.gz WMOMDGIIEBKVGY-UHFFFAOYSA-N 0 0 314.393 2.348 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N(C)CCC1CC1 ZINC000283333261 403190157 /nfs/dbraw/zinc/19/01/57/403190157.db2.gz QXCHGUJCCOOKFT-CQSZACIVSA-N 0 0 306.410 2.178 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCC(C)(C)CO ZINC000298101161 403321927 /nfs/dbraw/zinc/32/19/27/403321927.db2.gz WTDRUTJVEYLMCY-MRXNPFEDSA-N 0 0 302.418 2.329 10 30 DEEERN C=CCCOCCCCC(=O)N[C@@H]1CCCCC[C@H]1C(N)=O ZINC000342964507 403412925 /nfs/dbraw/zinc/41/29/25/403412925.db2.gz FXXHYRWCHQJKPD-HUUCEWRRSA-N 0 0 310.438 2.300 10 30 DEEERN C=CCOc1ccc(CNC(=O)NCC[C@H]2CCOC2)cc1 ZINC000345967805 403553263 /nfs/dbraw/zinc/55/32/63/403553263.db2.gz VMFGTSIUOTXGCM-HNNXBMFYSA-N 0 0 304.390 2.477 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC000287369958 403585065 /nfs/dbraw/zinc/58/50/65/403585065.db2.gz QKMIKWZVGGTEEB-HOCLYGCPSA-N 0 0 314.429 2.288 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](CC)C1 ZINC000287435596 403599313 /nfs/dbraw/zinc/59/93/13/403599313.db2.gz PVAJLGJYZJGJTD-SJORKVTESA-N 0 0 300.402 2.441 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](OC)C1 ZINC000287450444 403602104 /nfs/dbraw/zinc/60/21/04/403602104.db2.gz QOUDHZGINFSPLE-SJORKVTESA-N 0 0 300.402 2.441 10 30 DEEERN CN(C)C(=O)C1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000301347190 403618578 /nfs/dbraw/zinc/61/85/78/403618578.db2.gz KXXFJQZPMMPVEE-UHFFFAOYSA-N 0 0 308.385 2.411 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCCC[C@H]1CC(=O)NCC)OCC ZINC000347290020 403651716 /nfs/dbraw/zinc/65/17/16/403651716.db2.gz LUBPUHWFGJUOBS-LSDHHAIUSA-N 0 0 310.438 2.265 10 30 DEEERN C=CCO[C@H]1CCN(c2cc(N3CCC[C@@H](C)C3)ncn2)C1 ZINC000302201632 403708800 /nfs/dbraw/zinc/70/88/00/403708800.db2.gz ZLJHZMDYWNOYPB-CABCVRRESA-N 0 0 302.422 2.494 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1noc(-c2ccccc2C)n1 ZINC000287834881 403675901 /nfs/dbraw/zinc/67/59/01/403675901.db2.gz CJZHYMLDVBKVGB-UHFFFAOYSA-N 0 0 307.353 2.324 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(OCC(=O)OCC)cc1 ZINC000287869438 403683464 /nfs/dbraw/zinc/68/34/64/403683464.db2.gz PDMNXCHRXKWDLH-UHFFFAOYSA-N 0 0 313.353 2.230 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(C)(CO)CC1 ZINC000288050948 403715456 /nfs/dbraw/zinc/71/54/56/403715456.db2.gz FHKNZGPRZBRQFA-KRWDZBQOSA-N 0 0 314.429 2.425 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CO)C1 ZINC000288112382 403726862 /nfs/dbraw/zinc/72/68/62/403726862.db2.gz JLUXHKZMTIGNII-IRXDYDNUSA-N 0 0 300.402 2.035 10 30 DEEERN C=CCOc1ccccc1CNC(=O)NCC[C@H]1CCOC1 ZINC000343831870 403750851 /nfs/dbraw/zinc/75/08/51/403750851.db2.gz NSWRXVFDHSSMSR-AWEZNQCLSA-N 0 0 304.390 2.477 10 30 DEEERN COc1cccc([C@@H](C#N)NC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000409438129 403826227 /nfs/dbraw/zinc/82/62/27/403826227.db2.gz CEPJWSQBJFCAOS-OAHLLOKOSA-N 0 0 317.389 2.469 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CNC(=O)c1ccsc1 ZINC000347630846 403783941 /nfs/dbraw/zinc/78/39/41/403783941.db2.gz PVKDLJUZHSZLPO-UHFFFAOYSA-N 0 0 306.309 2.055 10 30 DEEERN CC#CCN(C)C(=O)C(=O)Nc1nc(CC)c(C(C)(C)C)s1 ZINC000411575199 403901222 /nfs/dbraw/zinc/90/12/22/403901222.db2.gz VSLXBWTUEVXPNU-UHFFFAOYSA-N 0 0 321.446 2.423 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000362548379 403964198 /nfs/dbraw/zinc/96/41/98/403964198.db2.gz SNYIHNIQAGSFKA-HOCLYGCPSA-N 0 0 305.374 2.301 10 30 DEEERN C=C(Br)CNc1cc(Br)nc(N)n1 ZINC000307552917 403953928 /nfs/dbraw/zinc/95/39/28/403953928.db2.gz VDKXLMFOULHRHS-UHFFFAOYSA-N 0 0 307.977 2.142 10 30 DEEERN Cn1cnc(CCNc2ncc(Br)cc2C#N)c1 ZINC000313464861 403986255 /nfs/dbraw/zinc/98/62/55/403986255.db2.gz VYTVWQBYGJDMDA-UHFFFAOYSA-N 0 0 306.167 2.104 10 30 DEEERN C#CCOc1ccccc1CN1CCO[C@]2(CCCOC2)C1 ZINC000289672350 403990856 /nfs/dbraw/zinc/99/08/56/403990856.db2.gz ZCSLOMYWJZFSJB-GOSISDBHSA-N 0 0 301.386 2.080 10 30 DEEERN Cc1ncc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1C#N ZINC000314799790 404002132 /nfs/dbraw/zinc/00/21/32/404002132.db2.gz WXMGMTXJUYRHTF-UHIISALHSA-N 0 0 307.419 2.365 10 30 DEEERN C=CCn1c(C)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000289861904 404003563 /nfs/dbraw/zinc/00/35/63/404003563.db2.gz YMYYBXFCROWJFR-CYBMUJFWSA-N 0 0 313.409 2.083 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCC[C@@H](O)[C@H]2C)cc1OC ZINC000295940635 404020452 /nfs/dbraw/zinc/02/04/52/404020452.db2.gz FYIMAPQNXWNEDE-TZMCWYRMSA-N 0 0 305.374 2.245 10 30 DEEERN C=CCN(Cc1ccccc1)c1nnc([C@H]2COCCO2)n1C ZINC000290059614 404022954 /nfs/dbraw/zinc/02/29/54/404022954.db2.gz BUCAVJIRZYFETL-OAHLLOKOSA-N 0 0 314.389 2.096 10 30 DEEERN N#Cc1cc(F)c(N[C@H]2CCCNC2=O)cc1Br ZINC000310631256 403968874 /nfs/dbraw/zinc/96/88/74/403968874.db2.gz JYFBCQVYTJMYFM-JTQLQIEISA-N 0 0 312.142 2.150 10 30 DEEERN CO[C@H](C)CCC(=O)N1CC[C@H](n2ccc(NC(C)=O)n2)C1 ZINC000328612744 404113947 /nfs/dbraw/zinc/11/39/47/404113947.db2.gz PQBAAGONFWHJCP-YPMHNXCESA-N 0 0 308.382 2.080 10 30 DEEERN O=C(N[C@H]1CCCc2ccccc21)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328683964 404131153 /nfs/dbraw/zinc/13/11/53/404131153.db2.gz DUBWXICJEPVWLW-LZWOXQAQSA-N 0 0 302.374 2.078 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Cn1cc(Cl)cn1 ZINC000290543472 404213477 /nfs/dbraw/zinc/21/34/77/404213477.db2.gz OPFZZZAZAWYIGK-HNNXBMFYSA-N 0 0 301.777 2.287 10 30 DEEERN CC1(C)C(CNC(=O)N2CCC[C@H]2Cn2ccnn2)C1(C)C ZINC000329006980 404196404 /nfs/dbraw/zinc/19/64/04/404196404.db2.gz NFOOIKBINCSMEJ-LBPRGKRZSA-N 0 0 305.426 2.339 10 30 DEEERN N#Cc1ccnc(C(=O)N2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000290509282 404198642 /nfs/dbraw/zinc/19/86/42/404198642.db2.gz JLQRBGWTVNIZIO-INIZCTEOSA-N 0 0 318.380 2.230 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)N(C)Cc1cnccc1C ZINC000352237328 404237309 /nfs/dbraw/zinc/23/73/09/404237309.db2.gz IJYNWOZVGDUZPK-CQSZACIVSA-N 0 0 303.406 2.209 10 30 DEEERN O=C(N[C@@H]1CCCNC1=O)[C@H]1CCCN1C(=O)C1CCCC1 ZINC000329175348 404254152 /nfs/dbraw/zinc/25/41/52/404254152.db2.gz MIZKNPUOBNSKGN-CHWSQXEVSA-N 0 0 307.394 2.243 10 30 DEEERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)CCC1=O ZINC000329243908 404276746 /nfs/dbraw/zinc/27/67/46/404276746.db2.gz UAGMPXZHEDOOAD-HKUMRIAESA-N 0 0 315.435 2.304 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(Oc2cccnc2)nc1 ZINC000349855870 404227974 /nfs/dbraw/zinc/22/79/74/404227974.db2.gz DINJJVDDYRCFHQ-CYBMUJFWSA-N 0 0 314.345 2.327 10 30 DEEERN O=C(NC[C@@H]1CCCSC1)N1CCC[C@@H]1Cn1ccnc1 ZINC000329298872 404294413 /nfs/dbraw/zinc/29/44/13/404294413.db2.gz LQIYJZAAJLBSMS-UONOGXRCSA-N 0 0 308.451 2.405 10 30 DEEERN C#CCOc1ccccc1CNC(=O)NCCc1ncccc1C ZINC000296559180 404306058 /nfs/dbraw/zinc/30/60/58/404306058.db2.gz WTWHJKNSRVLGIM-UHFFFAOYSA-N 0 0 323.396 2.444 10 30 DEEERN O=C(Nc1nnc(C2CCOCC2)s1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000329359215 404314012 /nfs/dbraw/zinc/31/40/12/404314012.db2.gz BRUHQUCVQQUOKG-GMTAPVOTSA-N 0 0 309.391 2.445 10 30 DEEERN C=CCNC(=O)Nc1ccc(NC(=O)c2cnnc(C)c2)cc1 ZINC000344698920 404314863 /nfs/dbraw/zinc/31/48/63/404314863.db2.gz FAOWOVSQKKVEGB-UHFFFAOYSA-N 0 0 311.345 2.345 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000355738464 404364683 /nfs/dbraw/zinc/36/46/83/404364683.db2.gz ZVONUSWTRQGXFO-HUUCEWRRSA-N 0 0 322.449 2.265 10 30 DEEERN C[C@](O)(CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)C1CCCCC1 ZINC000329581740 404382663 /nfs/dbraw/zinc/38/26/63/404382663.db2.gz QDDDVIKYZUQCMG-CRNXPOROSA-N 0 0 311.422 2.326 10 30 DEEERN C=CCNC(=O)CN1CCN(Cc2cc(C)cc(Cl)c2)CC1 ZINC000350440892 404389052 /nfs/dbraw/zinc/38/90/52/404389052.db2.gz UGTICIYDUMCNPK-UHFFFAOYSA-N 0 0 321.852 2.068 10 30 DEEERN CC(=O)N1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000356079692 404389502 /nfs/dbraw/zinc/38/95/02/404389502.db2.gz BJIBRNXFUHVFLB-UHFFFAOYSA-N 0 0 311.307 2.241 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccc(COCCOC)cc1 ZINC000291515059 404409174 /nfs/dbraw/zinc/40/91/74/404409174.db2.gz RBABQMHOMXPWOS-UHFFFAOYSA-N 0 0 313.397 2.129 10 30 DEEERN O=C(CN1CCO[C@H](C2CCCCC2)C1)NC(=O)NC1CC1 ZINC000329651311 404409779 /nfs/dbraw/zinc/40/97/79/404409779.db2.gz CTBYKFZAMPPQJW-AWEZNQCLSA-N 0 0 309.410 2.300 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCc1nccn1CC(F)(F)F ZINC000352491649 404410636 /nfs/dbraw/zinc/41/06/36/404410636.db2.gz HMLRXQJNZDBMOX-ZDUSSCGKSA-N 0 0 319.327 2.290 10 30 DEEERN O=C(N[C@@H]1CCn2ccnc2C1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000329660691 404413268 /nfs/dbraw/zinc/41/32/68/404413268.db2.gz OESGVZVPFPBQAW-UKRRQHHQSA-N 0 0 300.406 2.376 10 30 DEEERN C=CC[C@H](C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccccc1 ZINC000364493021 404420071 /nfs/dbraw/zinc/42/00/71/404420071.db2.gz XOHWEHWBYQGINN-MXASKKJJSA-N 0 0 312.413 2.472 10 30 DEEERN O=C(N[C@@H]1CCO[C@H]1c1ccccc1)N1CCc2cncnc2C1 ZINC000330011972 404526839 /nfs/dbraw/zinc/52/68/39/404526839.db2.gz JUFQHDCTXRMVIN-WBVHZDCISA-N 0 0 324.384 2.279 10 30 DEEERN CC(C)(C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1cccc(F)c1 ZINC000364749080 404526986 /nfs/dbraw/zinc/52/69/86/404526986.db2.gz QGCGMMXBOXHNKL-INIZCTEOSA-N 0 0 315.392 2.302 10 30 DEEERN O=C(Nc1cccc2c1OCC(=O)N2)N1CCO[C@@H](C2CC2)C1 ZINC000329795340 404454684 /nfs/dbraw/zinc/45/46/84/404454684.db2.gz WIEDMKTUHFENFJ-CYBMUJFWSA-N 0 0 317.345 2.323 10 30 DEEERN CNC(=O)[C@H]1CCCN(C(=O)Nc2cn(C)nc2C2CC2)C1 ZINC000329814870 404460619 /nfs/dbraw/zinc/46/06/19/404460619.db2.gz NTELQRDAKOTFEC-NSHDSACASA-N 0 0 305.382 2.141 10 30 DEEERN COCCn1cc2c(n1)[C@@H](NC(=O)c1cnnc(C)c1)CCC2 ZINC000329828672 404463371 /nfs/dbraw/zinc/46/33/71/404463371.db2.gz JKMXERYNHZFLLB-AWEZNQCLSA-N 0 0 315.377 2.010 10 30 DEEERN C=CCC1(c2nc([C@H]3CC(=O)N(CC)C3)no2)CCOCC1 ZINC000351432164 404582827 /nfs/dbraw/zinc/58/28/27/404582827.db2.gz KVBFMZLLGPIIPF-LBPRGKRZSA-N 0 0 305.378 2.030 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(C)nc(C)n1 ZINC000342379817 404543913 /nfs/dbraw/zinc/54/39/13/404543913.db2.gz SEKFTVPSJBBMKL-UHFFFAOYSA-N 0 0 315.373 2.397 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c(CC)ncnc1CC ZINC000352692853 404553423 /nfs/dbraw/zinc/55/34/23/404553423.db2.gz KQBAYECARFKUQJ-BLLLJJGKSA-N 0 0 303.406 2.312 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1c(CC)ncnc1CC ZINC000352692858 404553839 /nfs/dbraw/zinc/55/38/39/404553839.db2.gz KQBAYECARFKUQJ-WBMJQRKESA-N 0 0 303.406 2.312 10 30 DEEERN C=C(CNC(=O)c1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC000342432496 404574605 /nfs/dbraw/zinc/57/46/05/404574605.db2.gz GQZQTHMJSZXUJI-UHFFFAOYSA-N 0 0 305.337 2.366 10 30 DEEERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccnc(C#N)c1)CC2 ZINC000356535814 404578502 /nfs/dbraw/zinc/57/85/02/404578502.db2.gz BGRLMUZFORRAQS-UHFFFAOYSA-N 0 0 319.364 2.397 10 30 DEEERN C=CCCCNC(=O)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000342482580 404607497 /nfs/dbraw/zinc/60/74/97/404607497.db2.gz QREMCIVZAMMBQI-UHFFFAOYSA-N 0 0 311.385 2.135 10 30 DEEERN C#Cc1ccc(CNC(=O)N[C@H](C)c2nnc(C(C)C)[nH]2)cc1 ZINC000297762800 404614801 /nfs/dbraw/zinc/61/48/01/404614801.db2.gz VVJVINUGOBLDQO-GFCCVEGCSA-N 0 0 311.389 2.470 10 30 DEEERN C#Cc1ccc(CNC(=O)N[C@@H](C)c2nnc(C(C)C)[nH]2)cc1 ZINC000297762802 404616661 /nfs/dbraw/zinc/61/66/61/404616661.db2.gz VVJVINUGOBLDQO-LBPRGKRZSA-N 0 0 311.389 2.470 10 30 DEEERN C=C(C)Cn1c(COCC)nnc1N1CCO[C@@H](C2CCC2)C1 ZINC000414532539 404668547 /nfs/dbraw/zinc/66/85/47/404668547.db2.gz DHBBIZFMRHFABL-OAHLLOKOSA-N 0 0 320.437 2.396 10 30 DEEERN C=CCCO[C@@H](C)c1nc(-c2ccc(CC(N)=O)cc2)no1 ZINC000357140246 404729075 /nfs/dbraw/zinc/72/90/75/404729075.db2.gz HEBSZZDHBPSCFC-NSHDSACASA-N 0 0 301.346 2.418 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NC3(C(C)C)CC3)cc2C1=O ZINC000357168132 404729636 /nfs/dbraw/zinc/72/96/36/404729636.db2.gz DWDVXBFXFALILJ-UHFFFAOYSA-N 0 0 312.369 2.387 10 30 DEEERN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@H]2C)c1 ZINC000357320271 404732904 /nfs/dbraw/zinc/73/29/04/404732904.db2.gz YCKPCJIYSSJOGH-IUODEOHRSA-N 0 0 302.374 2.495 10 30 DEEERN C=CCN1CC[C@H](N(C)c2ncnc3c(C)csc32)C1=O ZINC000358672471 404771665 /nfs/dbraw/zinc/77/16/65/404771665.db2.gz ZSAVGBNNTISRLD-NSHDSACASA-N 0 0 302.403 2.223 10 30 DEEERN C=C(C)Cn1c(C2CCC2)nnc1N(CCOC)[C@H]1CCOC1 ZINC000358832594 404777576 /nfs/dbraw/zinc/77/75/76/404777576.db2.gz QQUZZGJDUNWLRC-HNNXBMFYSA-N 0 0 320.437 2.363 10 30 DEEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC1CC(F)(F)C1 ZINC000358851836 404778045 /nfs/dbraw/zinc/77/80/45/404778045.db2.gz JUAVBWAYBPROBC-AWEZNQCLSA-N 0 0 316.348 2.410 10 30 DEEERN C=CCCOCCCCC(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000358848252 404778089 /nfs/dbraw/zinc/77/80/89/404778089.db2.gz GCMTZTVJSSOGEP-QGZVFWFLSA-N 0 0 311.422 2.157 10 30 DEEERN C=CCSCCNC(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000359030315 404781990 /nfs/dbraw/zinc/78/19/90/404781990.db2.gz MYKCEDPTJWRLLD-CYBMUJFWSA-N 0 0 319.430 2.331 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000359595212 404798221 /nfs/dbraw/zinc/79/82/21/404798221.db2.gz GVWPAPAUMCOTEU-HNNXBMFYSA-N 0 0 320.437 2.165 10 30 DEEERN COc1cc(Cl)cc(CN2CCN(C3CC3)[C@@H](C#N)C2)c1O ZINC000360348906 404825725 /nfs/dbraw/zinc/82/57/25/404825725.db2.gz YIQDEGHMKPMXDH-AWEZNQCLSA-N 0 0 321.808 2.226 10 30 DEEERN CC(C)(C)n1cc(C(=O)C(=O)NCC(C)(C)CCC#N)cn1 ZINC000360420543 404827531 /nfs/dbraw/zinc/82/75/31/404827531.db2.gz ARZBSSUOVPGHDZ-UHFFFAOYSA-N 0 0 304.394 2.267 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000376934313 404830869 /nfs/dbraw/zinc/83/08/69/404830869.db2.gz RNHRFTLUSVFIKQ-MSOLQXFVSA-N 0 0 312.388 2.350 10 30 DEEERN C#CCC(C)(C)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000366952170 404878747 /nfs/dbraw/zinc/87/87/47/404878747.db2.gz LQRNXRUPFKDGIK-HOCLYGCPSA-N 0 0 312.413 2.342 10 30 DEEERN COc1cccc2c1CCN(C(=O)c1ccc(C#N)n1C)CC2 ZINC000451265530 404930839 /nfs/dbraw/zinc/93/08/39/404930839.db2.gz LXRWPNBTGNNYMH-UHFFFAOYSA-N 0 0 309.369 2.146 10 30 DEEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCN(C2CC2)CC1 ZINC000424132464 405016613 /nfs/dbraw/zinc/01/66/13/405016613.db2.gz XZCGEXUAOHTKKC-CQSZACIVSA-N 0 0 319.478 2.317 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCN(c2ccccc2)C[C@H]1CC ZINC000435440508 404981460 /nfs/dbraw/zinc/98/14/60/404981460.db2.gz XHUIOEQMXUOMKA-OAHLLOKOSA-N 0 0 308.447 2.493 10 30 DEEERN COc1ccc2c(c1)C=C(C(=O)Nc1cc(C#N)ccn1)CO2 ZINC000436005457 405035750 /nfs/dbraw/zinc/03/57/50/405035750.db2.gz XFWNIUFORQVQBO-UHFFFAOYSA-N 0 0 307.309 2.376 10 30 DEEERN COc1ccc(C(=O)C(=O)Nc2cc(C#N)ccn2)cc1Cl ZINC000436006371 405036106 /nfs/dbraw/zinc/03/61/06/405036106.db2.gz NMGRMJUFXZKFQC-UHFFFAOYSA-N 0 0 315.716 2.437 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)Nc1ncc(C(=O)OCC)n1C ZINC000417113237 405039508 /nfs/dbraw/zinc/03/95/08/405039508.db2.gz FOJPBUMZPZANRU-NSHDSACASA-N 0 0 306.366 2.169 10 30 DEEERN N#C[C@]1(NC(=O)c2nscc2Br)CCSC1 ZINC000404883053 405069367 /nfs/dbraw/zinc/06/93/67/405069367.db2.gz CHFKCPOTVRAFLX-SECBINFHSA-N 0 0 318.221 2.035 10 30 DEEERN Cc1cc(NC(=O)N(C)Cc2cnccn2)c(C#N)cc1N(C)C ZINC000436484319 405088115 /nfs/dbraw/zinc/08/81/15/405088115.db2.gz DVKZLROMBKUAGU-UHFFFAOYSA-N 0 0 324.388 2.387 10 30 DEEERN C=CCNC(=O)NC(=O)CN1CCC[C@H]1c1ccc(F)cc1F ZINC000451980230 405115740 /nfs/dbraw/zinc/11/57/40/405115740.db2.gz QUHVJJWFBGPLEY-AWEZNQCLSA-N 0 0 323.343 2.114 10 30 DEEERN CC(C)c1nc2c(n1C)CCN(C(=O)c1cc(C#N)ccn1)C2 ZINC000408147971 405123633 /nfs/dbraw/zinc/12/36/33/405123633.db2.gz DLFKLVUYMYYKDI-UHFFFAOYSA-N 0 0 309.373 2.009 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000367759429 405145912 /nfs/dbraw/zinc/14/59/12/405145912.db2.gz GNLGKWLBCABQMI-IRXDYDNUSA-N 0 0 322.412 2.201 10 30 DEEERN C#CCCCNC(=O)N1CCCN(c2ccccc2F)CC1 ZINC000367763145 405146978 /nfs/dbraw/zinc/14/69/78/405146978.db2.gz ZXMKULRQSAYOMK-UHFFFAOYSA-N 0 0 303.381 2.461 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408259431 405155010 /nfs/dbraw/zinc/15/50/10/405155010.db2.gz LHHPHEZLMVSQOL-KRWDZBQOSA-N 0 0 312.373 2.001 10 30 DEEERN C=CCC1(C(=O)N2CCC(O[C@@H]3CCOC3)CC2)CCOCC1 ZINC000424697674 405152205 /nfs/dbraw/zinc/15/22/05/405152205.db2.gz DIBRNWQISIGWRN-MRXNPFEDSA-N 0 0 323.433 2.156 10 30 DEEERN C=CCC1(C(=O)Nc2n[nH]c(C(F)(F)F)n2)CCOCC1 ZINC000424726581 405160501 /nfs/dbraw/zinc/16/05/01/405160501.db2.gz UGICCQQTEXIQED-UHFFFAOYSA-N 0 0 304.272 2.135 10 30 DEEERN C=CCC1(C(=O)N[C@H](CO)Cc2ccccc2)CCOCC1 ZINC000424805714 405183372 /nfs/dbraw/zinc/18/33/72/405183372.db2.gz QJNWDCDUXRACLX-INIZCTEOSA-N 0 0 303.402 2.079 10 30 DEEERN C#CCCCS(=O)(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000367901961 405186763 /nfs/dbraw/zinc/18/67/63/405186763.db2.gz NYJXAFZYDHMTBW-HZPDHXFCSA-N 0 0 307.415 2.097 10 30 DEEERN C=CCC1(C(=O)N2C[C@H](C)[S@](=O)[C@@H](CC)C2)CCOCC1 ZINC000424830937 405191103 /nfs/dbraw/zinc/19/11/03/405191103.db2.gz HZNNXBZKADBPLA-RXSFTSLZSA-N 0 0 313.463 2.117 10 30 DEEERN N#Cc1ncccc1N[C@@H]1CCCN(c2ccccc2C(N)=O)C1 ZINC000367966833 405205719 /nfs/dbraw/zinc/20/57/19/405205719.db2.gz RMOPVIGGNYTLNJ-CYBMUJFWSA-N 0 0 321.384 2.133 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000424898722 405208612 /nfs/dbraw/zinc/20/86/12/405208612.db2.gz BLCNRNAZUMPNCY-AAEUAGOBSA-N 0 0 322.386 2.394 10 30 DEEERN Cc1cc(NC(=O)N2C[C@H]3CC[C@@H](C2)O3)c(C#N)cc1N(C)C ZINC000408463033 405211731 /nfs/dbraw/zinc/21/17/31/405211731.db2.gz AXBHIKSZWIZAQM-OKILXGFUSA-N 0 0 314.389 2.328 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CC[S@@](=O)C(C)(C)CC1 ZINC000408466729 405213852 /nfs/dbraw/zinc/21/38/52/405213852.db2.gz MUXNXJQFHHMBFA-OAQYLSRUSA-N 0 0 304.415 2.240 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000424930892 405214655 /nfs/dbraw/zinc/21/46/55/405214655.db2.gz HVASWFOWDWXJHX-HFTRVMKXSA-N 0 0 314.429 2.141 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCCc1nc(C(C)(C)C)no1 ZINC000424932325 405215102 /nfs/dbraw/zinc/21/51/02/405215102.db2.gz MWTRROVICAJMAY-STQMWFEESA-N 0 0 321.421 2.397 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000424933365 405215271 /nfs/dbraw/zinc/21/52/71/405215271.db2.gz QDDOHDIWDXQTEV-FZMZJTMJSA-N 0 0 315.329 2.397 10 30 DEEERN Cc1cc(N[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c(C#N)cn1 ZINC000425255452 405264355 /nfs/dbraw/zinc/26/43/55/405264355.db2.gz GCLJGHZOPOTYCG-WMLDXEAASA-N 0 0 320.396 2.285 10 30 DEEERN C=CCC[C@H]1NC(=O)N([C@H](C)c2ccc3c(c2)OCO3)C1=O ZINC000419925788 405272482 /nfs/dbraw/zinc/27/24/82/405272482.db2.gz PFJTWDUYPWVVNB-ZYHUDNBSSA-N 0 0 302.330 2.363 10 30 DEEERN COC(=O)c1csc(S(=O)(=O)CCCC(C)(C)C#N)n1 ZINC000453023954 405275877 /nfs/dbraw/zinc/27/58/77/405275877.db2.gz ITOPOSNENATBAK-UHFFFAOYSA-N 0 0 316.404 2.033 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000437838745 405222206 /nfs/dbraw/zinc/22/22/06/405222206.db2.gz LQNYUANJOHGHFL-YJBOKZPZSA-N 0 0 322.449 2.076 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[C@@H](OC)C(F)(F)F ZINC000437860471 405222830 /nfs/dbraw/zinc/22/28/30/405222830.db2.gz QGDJDQHIHPKOBC-UTUOFQBUSA-N 0 0 324.343 2.234 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccccc1SC ZINC000425787912 405319727 /nfs/dbraw/zinc/31/97/27/405319727.db2.gz SMQHYSXWCAEUGY-AAEUAGOBSA-N 0 0 320.414 2.054 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC=C(C(F)(F)F)CC1 ZINC000425854102 405324633 /nfs/dbraw/zinc/32/46/33/405324633.db2.gz JNWUTAPJNRNRSY-JQWIXIFHSA-N 0 0 304.312 2.482 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1(CCO)CCCCC1 ZINC000425853313 405324709 /nfs/dbraw/zinc/32/47/09/405324709.db2.gz IPGBTSIADJGTQU-GJZGRUSLSA-N 0 0 310.438 2.210 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](CC)CCCC ZINC000425863104 405325307 /nfs/dbraw/zinc/32/53/07/405325307.db2.gz LMJBVKZZWANMAP-ILXRZTDVSA-N 0 0 310.438 2.026 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)Oc1ccc(F)cc1 ZINC000425450140 405292892 /nfs/dbraw/zinc/29/28/92/405292892.db2.gz UQUJTJGPGWOABD-WWGRRREGSA-N 0 0 322.380 2.483 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)C(=O)Nc1cc(CC)ccc1CC ZINC000454053358 405294803 /nfs/dbraw/zinc/29/48/03/405294803.db2.gz IEYPQMIBBXPIMW-HNNXBMFYSA-N 0 0 318.417 2.193 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1C[C@H](OC)C1(CC)CC ZINC000425477244 405296626 /nfs/dbraw/zinc/29/66/26/405296626.db2.gz OMLYZCMNOMKAOC-AJNGGQMLSA-N 0 0 310.438 2.470 10 30 DEEERN C=C(C)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000425484164 405298518 /nfs/dbraw/zinc/29/85/18/405298518.db2.gz HYTLVYWFTLLFOC-HNNXBMFYSA-N 0 0 302.418 2.404 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446291063 405378429 /nfs/dbraw/zinc/37/84/29/405378429.db2.gz GLNOWHMUWZWJSX-JTQLQIEISA-N 0 0 312.753 2.471 10 30 DEEERN CC#CCN(C)C(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000455321637 405397015 /nfs/dbraw/zinc/39/70/15/405397015.db2.gz LDBQYSKHNZCRNQ-UHFFFAOYSA-N 0 0 303.362 2.060 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(c2ccccc2)CC1 ZINC000455414692 405406380 /nfs/dbraw/zinc/40/63/80/405406380.db2.gz AZFRJCRKHGVTDW-SJORKVTESA-N 0 0 315.417 2.252 10 30 DEEERN C=CCCCCNC(=O)N1CCc2nc(COC)ncc2C1 ZINC000633173272 405481279 /nfs/dbraw/zinc/48/12/79/405481279.db2.gz YNBAKOLTVHDWST-UHFFFAOYSA-N 0 0 304.394 2.047 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1ccc(CNC(C)=O)cc1 ZINC000577626803 405483939 /nfs/dbraw/zinc/48/39/39/405483939.db2.gz TYLXSGZGZVHUBC-UHFFFAOYSA-N 0 0 324.446 2.347 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N(C)Cc1c(C)nn(CC)c1C ZINC000633300073 405559052 /nfs/dbraw/zinc/55/90/52/405559052.db2.gz NSWXDSQNLAASPJ-CABCVRRESA-N 0 0 306.410 2.005 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1cnc(-c2ccncc2)s1 ZINC000456776275 405561024 /nfs/dbraw/zinc/56/10/24/405561024.db2.gz LUDOGBZXTNGHRV-GFCCVEGCSA-N 0 0 303.387 2.262 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1cnc2c(cnn2CC(C)C)c1 ZINC000456781442 405564800 /nfs/dbraw/zinc/56/48/00/405564800.db2.gz SLZUKIKYFKBNKW-OAHLLOKOSA-N 0 0 316.405 2.144 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000456754583 405551765 /nfs/dbraw/zinc/55/17/65/405551765.db2.gz IPCYMKZVEBPIFB-MAZHCROVSA-N 0 0 316.401 2.338 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000557747184 405625838 /nfs/dbraw/zinc/62/58/38/405625838.db2.gz LKDWISMKXAAAIU-LBPRGKRZSA-N 0 0 300.362 2.134 10 30 DEEERN C=CCn1cc(CNC(=O)N[C@@H](CF)c2ccc(F)cc2)nn1 ZINC000633320054 405570493 /nfs/dbraw/zinc/57/04/93/405570493.db2.gz ZJLYRRYTRUQFPE-AWEZNQCLSA-N 0 0 321.331 2.113 10 30 DEEERN C=CCC[C@H](C(=O)N1CC[C@H](C(=O)NC)C1)c1ccccc1 ZINC000421651285 405575144 /nfs/dbraw/zinc/57/51/44/405575144.db2.gz JVXABRPUDCSULO-HOTGVXAUSA-N 0 0 300.402 2.331 10 30 DEEERN C=C1CC(C)(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000633427504 405640232 /nfs/dbraw/zinc/64/02/32/405640232.db2.gz BQFQSZKPHDNOOX-AWEZNQCLSA-N 0 0 302.349 2.404 10 30 DEEERN C=CCC1(CNC(=O)NC[C@@]2(CCO)CCOC2)CCCC1 ZINC000459047480 405712623 /nfs/dbraw/zinc/71/26/23/405712623.db2.gz HOXYJDQMUAPLBN-QGZVFWFLSA-N 0 0 310.438 2.211 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC000558999201 405715758 /nfs/dbraw/zinc/71/57/58/405715758.db2.gz RGCAREUVBTYKOU-GFCCVEGCSA-N 0 0 319.434 2.451 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ncc2c(F)cccn21 ZINC000529246725 405754001 /nfs/dbraw/zinc/75/40/01/405754001.db2.gz NNQVTQAMBCXHSI-BXUZGUMPSA-N 0 0 303.337 2.184 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000583548443 405756403 /nfs/dbraw/zinc/75/64/03/405756403.db2.gz SBEDMMUDXUPKLW-HLLBOEOZSA-N 0 0 308.422 2.322 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000459125036 405759344 /nfs/dbraw/zinc/75/93/44/405759344.db2.gz VUMWBGZLXVGZEB-MWLCHTKSSA-N 0 0 314.307 2.327 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000450213152 405781511 /nfs/dbraw/zinc/78/15/11/405781511.db2.gz DTKOVTPTFLQWGB-IBGZPJMESA-N 0 0 321.380 2.211 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)NCCc1cn(C)cn1 ZINC000459181454 405786682 /nfs/dbraw/zinc/78/66/82/405786682.db2.gz OXFIKHVXHZRFFK-UHFFFAOYSA-N 0 0 312.417 2.403 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C)c1c(C)noc1C ZINC000584109609 405827143 /nfs/dbraw/zinc/82/71/43/405827143.db2.gz UFUXACWDZBFAGC-BPNCWPANSA-N 0 0 307.394 2.285 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000450179159 405768739 /nfs/dbraw/zinc/76/87/39/405768739.db2.gz VRAFIGUWXFBHIS-GUSZCTEKSA-N 0 0 301.386 2.428 10 30 DEEERN C=C[C@@H](O)C(=O)NCCc1c2ccccc2[nH]c1C(F)(F)F ZINC000633885399 405891035 /nfs/dbraw/zinc/89/10/35/405891035.db2.gz NBLLBMZMQJLHTI-GFCCVEGCSA-N 0 0 312.291 2.392 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1C[C@H](C)C[C@H]1CC ZINC000584154917 405835181 /nfs/dbraw/zinc/83/51/81/405835181.db2.gz UKLINGOTAGENSN-DGCLKSJQSA-N 0 0 315.425 2.193 10 30 DEEERN COC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cccc(C#N)c1 ZINC000530680235 405844848 /nfs/dbraw/zinc/84/48/48/405844848.db2.gz PEDRHXXBDXQKGV-KRWDZBQOSA-N 0 0 322.364 2.001 10 30 DEEERN C=CCC[C@@H](O)CN[C@H](C)c1ncc(Br)cn1 ZINC000433007161 405848356 /nfs/dbraw/zinc/84/83/56/405848356.db2.gz JXFGJYDUDOZEEY-MWLCHTKSSA-N 0 0 300.200 2.217 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](CF)c1ccc(F)cc1 ZINC000636348129 405904488 /nfs/dbraw/zinc/90/44/88/405904488.db2.gz DTSVCZQQUPMIFQ-LSDHHAIUSA-N 0 0 310.344 2.423 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NC[C@H]1Cc2ccccc21 ZINC000636591451 406021216 /nfs/dbraw/zinc/02/12/16/406021216.db2.gz HHCUNMXLVAHCBU-CQSZACIVSA-N 0 0 300.402 2.161 10 30 DEEERN Cn1cc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)cn1 ZINC000562532547 406027487 /nfs/dbraw/zinc/02/74/87/406027487.db2.gz UPXFBKDKRCUDTO-UHFFFAOYSA-N 0 0 316.386 2.250 10 30 DEEERN CCOc1cccc(CN(CCO)c2nc(C)cc(C#N)n2)c1 ZINC000450936405 405991827 /nfs/dbraw/zinc/99/18/27/405991827.db2.gz GNKQUZODJLWWAM-UHFFFAOYSA-N 0 0 312.373 2.054 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc(C)cc1OC ZINC000636786531 406081798 /nfs/dbraw/zinc/08/17/98/406081798.db2.gz JEHSZGSMXKRHFR-UHFFFAOYSA-N 0 0 318.417 2.338 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@@](C)(CO)Cc1ccc(F)cc1 ZINC000634294112 406086746 /nfs/dbraw/zinc/08/67/46/406086746.db2.gz TWUCQESHABKHAW-CXAGYDPISA-N 0 0 309.381 2.217 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N(CCn1ccnc1)Cc1cnn(C)c1 ZINC000567478211 406096654 /nfs/dbraw/zinc/09/66/54/406096654.db2.gz JOGAXWILFFPDRF-HNNXBMFYSA-N 0 0 315.421 2.248 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(c2cccc(-c3noc(C)n3)c2)C1=O ZINC000562735898 406054591 /nfs/dbraw/zinc/05/45/91/406054591.db2.gz PRWQCNLETGRGNV-ZDUSSCGKSA-N 0 0 312.329 2.436 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000514934601 406055803 /nfs/dbraw/zinc/05/58/03/406055803.db2.gz UKVOMFCFQZTFCZ-UTSKFRMZSA-N 0 0 322.449 2.303 10 30 DEEERN C=CCOc1ccc(CC(=O)Nc2cn(C)nc2OC)cc1 ZINC000451121548 406058049 /nfs/dbraw/zinc/05/80/49/406058049.db2.gz ORFLDHXRFDWDPR-UHFFFAOYSA-N 0 0 301.346 2.175 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc2oc(=O)[nH]c21 ZINC000563391783 406059690 /nfs/dbraw/zinc/05/96/90/406059690.db2.gz AQZAMIZCIIVILW-YGRLFVJLSA-N 0 0 302.330 2.244 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000563382647 406060112 /nfs/dbraw/zinc/06/01/12/406060112.db2.gz JNXTZGWWPSXHKJ-UHFFFAOYSA-N 0 0 318.373 2.274 10 30 DEEERN C=CCCCCCNC(=O)NCC1(S(C)(=O)=O)CCCC1 ZINC000563373069 406060276 /nfs/dbraw/zinc/06/02/76/406060276.db2.gz DMRLCKFYOIUQMO-UHFFFAOYSA-N 0 0 316.467 2.389 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc2c(cc1SC)OCCO2 ZINC000563482259 406060818 /nfs/dbraw/zinc/06/08/18/406060818.db2.gz PIDZFQVMIHZJIO-SNVBAGLBSA-N 0 0 324.402 2.238 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCC1CCC(OC)CC1 ZINC000636724160 406063209 /nfs/dbraw/zinc/06/32/09/406063209.db2.gz PWHHAMZXPZUVPH-UHFFFAOYSA-N 0 0 324.465 2.416 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000564638546 406064875 /nfs/dbraw/zinc/06/48/75/406064875.db2.gz KLQKPFKNUPHALC-BIVLZKPYSA-N 0 0 322.449 2.445 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000636880794 406111635 /nfs/dbraw/zinc/11/16/35/406111635.db2.gz UBTHBSSFKLJBRW-AWEZNQCLSA-N 0 0 322.449 2.313 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000636993700 406143937 /nfs/dbraw/zinc/14/39/37/406143937.db2.gz SCWDQPDOLUIYHA-OAHLLOKOSA-N 0 0 322.449 2.026 10 30 DEEERN C=CCNC(=O)c1ccc(N2CCC[C@H]([C@@H]3CCOC3)C2)nc1 ZINC000533499004 406148313 /nfs/dbraw/zinc/14/83/13/406148313.db2.gz SVZDUTVFNUYZHL-JKSUJKDBSA-N 0 0 315.417 2.250 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1c[nH]c(=O)s1 ZINC000632544284 406176586 /nfs/dbraw/zinc/17/65/86/406176586.db2.gz BFKALXYCMUIWRS-UWVGGRQHSA-N 0 0 302.421 2.262 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCCC[C@@H]1C[C@H](C)O ZINC000632541162 406176893 /nfs/dbraw/zinc/17/68/93/406176893.db2.gz KAUIPWZGFZWZCC-LSDHHAIUSA-N 0 0 324.465 2.247 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCC1([C@@H]2CCCCO2)CCC1 ZINC000632547857 406178474 /nfs/dbraw/zinc/17/84/74/406178474.db2.gz XOLZNODAUPBGKF-HNNXBMFYSA-N 0 0 322.449 2.267 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000632563586 406183008 /nfs/dbraw/zinc/18/30/08/406183008.db2.gz XAOKKBYYOFMMNC-CABCVRRESA-N 0 0 323.481 2.036 10 30 DEEERN C=C(CNC(=O)N[C@H]1CCN(C2CCC2)C1=O)c1ccccc1 ZINC000637147285 406191182 /nfs/dbraw/zinc/19/11/82/406191182.db2.gz IQZSLRKCUCWQSZ-INIZCTEOSA-N 0 0 313.401 2.152 10 30 DEEERN C=C1CCN(C(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)CC1 ZINC000519459643 406201461 /nfs/dbraw/zinc/20/14/61/406201461.db2.gz TYEGDYOULBZPOR-UHFFFAOYSA-N 0 0 312.373 2.344 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(C)o1 ZINC000637238982 406224484 /nfs/dbraw/zinc/22/44/84/406224484.db2.gz JYQQCRJYJRPVIU-ZFWWWQNUSA-N 0 0 304.390 2.455 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@H]1Cc2ccccc2NC1=O ZINC000637322485 406257794 /nfs/dbraw/zinc/25/77/94/406257794.db2.gz AXZXPNNTQLAEPM-AWEZNQCLSA-N 0 0 301.390 2.451 10 30 DEEERN C=CC(C)(C)CCNC(=O)NC1(CO)Cc2ccccc2C1 ZINC000637323652 406258900 /nfs/dbraw/zinc/25/89/00/406258900.db2.gz LPLZZGBLKJAGJR-UHFFFAOYSA-N 0 0 302.418 2.418 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC(CCO)(CCO)CC1 ZINC000637325291 406259620 /nfs/dbraw/zinc/25/96/20/406259620.db2.gz SCZVYHMHBSZPDN-UHFFFAOYSA-N 0 0 312.454 2.145 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)C1 ZINC000637482640 406324924 /nfs/dbraw/zinc/32/49/24/406324924.db2.gz VDCZHLHTKKFZSW-XPKDYRNWSA-N 0 0 317.389 2.225 10 30 DEEERN CCCN1Cc2cccc(NC(=O)[C@H](C)n3cnc(C#N)n3)c2C1 ZINC000545971548 406340080 /nfs/dbraw/zinc/34/00/80/406340080.db2.gz QRJHVMVROQHSHG-LBPRGKRZSA-N 0 0 324.388 2.075 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cc(C)nc(C)n1 ZINC000635261574 406479267 /nfs/dbraw/zinc/47/92/67/406479267.db2.gz FYYDJZQNXOVOBL-UHFFFAOYSA-N 0 0 304.394 2.141 10 30 DEEERN N#Cc1cccc(CC(=O)N2CCSC3(CCOCC3)C2)c1 ZINC000548108289 406481613 /nfs/dbraw/zinc/48/16/13/406481613.db2.gz UIVGJZPOZWXHRM-UHFFFAOYSA-N 0 0 316.426 2.225 10 30 DEEERN C[C@H](C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1)n1cnc(C#N)n1 ZINC000524092235 406440030 /nfs/dbraw/zinc/44/00/30/406440030.db2.gz IWZUGVWRLUGIAC-VNQPRFMTSA-N 0 0 323.400 2.238 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1nccn1CC(C)C ZINC000573179472 406770080 /nfs/dbraw/zinc/77/00/80/406770080.db2.gz CZMMZHIJCMEING-KGLIPLIRSA-N 0 0 306.410 2.072 10 30 DEEERN CCOc1cc(I)cc([N+](=O)[O-])c1C#N ZINC000575670087 406817495 /nfs/dbraw/zinc/81/74/95/406817495.db2.gz CUPLKDZFWQELFS-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN CCOC(=O)Cc1cc(Br)c([N+](=O)[O-])c(C#N)c1 ZINC000575383372 406808063 /nfs/dbraw/zinc/80/80/63/406808063.db2.gz CWMBGLLGWOMCHE-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(Br)c1C#N ZINC000575383506 406808230 /nfs/dbraw/zinc/80/82/30/406808230.db2.gz LTGXPNBSPSNFCP-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN C=CCNC(=O)[C@@H](C)Oc1ccc(Br)c(CO)c1 ZINC000128880962 195999582 /nfs/dbraw/zinc/99/95/82/195999582.db2.gz YATOQKHTHSYVFU-SECBINFHSA-N 0 0 314.179 2.011 10 30 DEEERN CCOC(=O)[C@](C)(C#N)c1ccccc1S(=O)(=O)C(F)F ZINC000128925045 196004546 /nfs/dbraw/zinc/00/45/46/196004546.db2.gz YXZJMLWKDZNLBU-CYBMUJFWSA-N 0 0 317.313 2.027 10 30 DEEERN CN(C(=O)c1c[nH]c(=NN)c(Cl)c1)c1ccccc1C#N ZINC000129055128 196015875 /nfs/dbraw/zinc/01/58/75/196015875.db2.gz DNJXMQQJNQGAIQ-UHFFFAOYSA-N 0 0 301.737 2.169 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(OCCF)c1 ZINC000129784979 196076087 /nfs/dbraw/zinc/07/60/87/196076087.db2.gz GBCGNUJXJJJGSC-UHFFFAOYSA-N 0 0 308.353 2.398 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000130609945 196095173 /nfs/dbraw/zinc/09/51/73/196095173.db2.gz JCAXEXBHSDIORC-UHFFFAOYSA-N 0 0 305.334 2.266 10 30 DEEERN C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000130831832 196114435 /nfs/dbraw/zinc/11/44/35/196114435.db2.gz LQOCTRBALGQHSC-STQMWFEESA-N 0 0 302.374 2.351 10 30 DEEERN C#CC[C@@H](CC)NS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000130955939 196126991 /nfs/dbraw/zinc/12/69/91/196126991.db2.gz YUAPLMRGAUKHIV-GFCCVEGCSA-N 0 0 310.375 2.292 10 30 DEEERN Cc1nc(CNC(=O)c2cc(C)cc(C#CCO)c2)cs1 ZINC000131605918 196183564 /nfs/dbraw/zinc/18/35/64/196183564.db2.gz SURVZUIDKXOAFV-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN CCCS(=O)(=O)Nc1cc(Cl)ccc1C#CCCO ZINC000131998886 196218130 /nfs/dbraw/zinc/21/81/30/196218130.db2.gz UCKGCLPKUAPGFM-UHFFFAOYSA-N 0 0 301.795 2.226 10 30 DEEERN N#Cc1cc(Br)ccc1N[C@H]1CCCCNC1=O ZINC000132385054 196252041 /nfs/dbraw/zinc/25/20/41/196252041.db2.gz IBWDQCGPJLNSKX-LBPRGKRZSA-N 0 0 308.179 2.401 10 30 DEEERN C#CCSCCNc1ncc(Br)c(NC)n1 ZINC000132875421 196292450 /nfs/dbraw/zinc/29/24/50/196292450.db2.gz XXIMFQGBIBFRDU-UHFFFAOYSA-N 0 0 301.213 2.059 10 30 DEEERN CC[C@@H](CSC)NC(=O)c1cc(F)ccc1C#CCCO ZINC000133984739 196351425 /nfs/dbraw/zinc/35/14/25/196351425.db2.gz BQRPZGHNEGXFRL-AWEZNQCLSA-N 0 0 309.406 2.431 10 30 DEEERN CC[C@H](CSC)NC(=O)c1cc(C#CCCO)ccc1F ZINC000133981275 196351477 /nfs/dbraw/zinc/35/14/77/196351477.db2.gz ORMAPTKWXCJYAY-CYBMUJFWSA-N 0 0 309.406 2.431 10 30 DEEERN C=C(Br)CN1C(=O)C(=O)c2c1c(F)ccc2F ZINC000135302904 196461886 /nfs/dbraw/zinc/46/18/86/196461886.db2.gz DNGMVVDHDBFETC-UHFFFAOYSA-N 0 0 302.074 2.403 10 30 DEEERN Cc1ccc([C@H]2CN(CC(=O)N[C@@](C)(C#N)C(C)C)CCO2)o1 ZINC000158996361 224706620 /nfs/dbraw/zinc/70/66/20/224706620.db2.gz GVIVESZCRACXIV-WBVHZDCISA-N 0 0 319.405 2.016 10 30 DEEERN N#CCCCCNC(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000172030924 224754961 /nfs/dbraw/zinc/75/49/61/224754961.db2.gz RPKANZZHMRASLU-HNNXBMFYSA-N 0 0 314.389 2.175 10 30 DEEERN N#Cc1cccc(COc2cccc(N[C@@H]3CCNC3=O)c2)c1 ZINC000179041457 224881332 /nfs/dbraw/zinc/88/13/32/224881332.db2.gz UMZUZTHGZNGEOA-QGZVFWFLSA-N 0 0 307.353 2.438 10 30 DEEERN N#Cc1cccc(COc2cccc(N[C@H]3CCNC3=O)c2)c1 ZINC000179041467 224882523 /nfs/dbraw/zinc/88/25/23/224882523.db2.gz UMZUZTHGZNGEOA-KRWDZBQOSA-N 0 0 307.353 2.438 10 30 DEEERN CCc1noc(C)c1NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000192950944 225146902 /nfs/dbraw/zinc/14/69/02/225146902.db2.gz AIRUDIYSMGJBRV-UHFFFAOYSA-N 0 0 316.292 2.133 10 30 DEEERN Cc1cnn([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCO[C@@H]3C3CC3)C2)c1 ZINC000328862827 225807311 /nfs/dbraw/zinc/80/73/11/225807311.db2.gz ZUWFQUVSHAXZJC-BZUAXINKSA-N 0 0 318.421 2.310 10 30 DEEERN C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCN(C2CC2)CC1 ZINC000329028783 225826931 /nfs/dbraw/zinc/82/69/31/225826931.db2.gz KRGCMADZFUQGPC-ZDUSSCGKSA-N 0 0 307.438 2.218 10 30 DEEERN C[C@@H]1c2ccccc2CN1C(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000329444172 225881114 /nfs/dbraw/zinc/88/11/14/225881114.db2.gz KOIMWQFDAKEHST-OLZOCXBDSA-N 0 0 322.430 2.302 10 30 DEEERN O=C(N[C@H]1CCCOc2ccccc21)N1CC(O)(C2CC2)C1 ZINC000330234132 225984750 /nfs/dbraw/zinc/98/47/50/225984750.db2.gz GHDLWLXQROQMRW-AWEZNQCLSA-N 0 0 302.374 2.271 10 30 DEEERN CN(C)C1(C#N)CCN(C(=O)N[C@@H](C2CC2)C2CCC2)CC1 ZINC000333714405 226110147 /nfs/dbraw/zinc/11/01/47/226110147.db2.gz UEPZJCFDCAFYLU-OAHLLOKOSA-N 0 0 304.438 2.194 10 30 DEEERN N#C[C@H]1CN(C(=O)Nc2ccc3[nH]ccc3c2)CCN1C1CC1 ZINC000369219922 227027824 /nfs/dbraw/zinc/02/78/24/227027824.db2.gz QOCGFUURRWHUGW-HNNXBMFYSA-N 0 0 309.373 2.372 10 30 DEEERN N#C[C@H]1CN(C(=O)c2ccc3ccccc3c2O)CCN1C1CC1 ZINC000370986063 227061481 /nfs/dbraw/zinc/06/14/81/227061481.db2.gz QIQZLRMYRBMIKX-HNNXBMFYSA-N 0 0 321.380 2.358 10 30 DEEERN N#C[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)CCN1C1CC1 ZINC000370996412 227062408 /nfs/dbraw/zinc/06/24/08/227062408.db2.gz DGVFKAWYFHSHPT-MUGCCGGLSA-N 0 0 313.445 2.402 10 30 DEEERN C[C@H](C#N)Oc1ccc(CN2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000371332641 227068348 /nfs/dbraw/zinc/06/83/48/227068348.db2.gz ALDZHLAPJKSOLT-PBHICJAKSA-N 0 0 310.401 2.150 10 30 DEEERN N#CC1CCC(CNC(=O)N2CC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000373001217 227101304 /nfs/dbraw/zinc/10/13/04/227101304.db2.gz IUBKPLHCIITADN-FJBKBRRZSA-N 0 0 305.422 2.384 10 30 DEEERN N#CC1(C(=O)N2CC(O)(c3ccc(F)cc3)C2)CCCCC1 ZINC000373371674 227110100 /nfs/dbraw/zinc/11/01/00/227110100.db2.gz AFPTULPAQVHRHM-UHFFFAOYSA-N 0 0 302.349 2.330 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCNC(=O)[C@H]1CC ZINC000291149402 222174118 /nfs/dbraw/zinc/17/41/18/222174118.db2.gz XQIULUIXBFXVIG-CQSZACIVSA-N 0 0 319.453 2.158 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccncc1Br ZINC000408236749 227228989 /nfs/dbraw/zinc/22/89/89/227228989.db2.gz QPPFUAIWNLUDNH-WPRPVWTQSA-N 0 0 309.167 2.080 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(-c2ccc(C)o2)n[nH]1 ZINC000616823630 422518928 /nfs/dbraw/zinc/51/89/28/422518928.db2.gz STCGRWHFTMSMTO-ZDUSSCGKSA-N 0 0 316.361 2.388 10 30 DEEERN CCC1(CC)CN(C(=O)Cc2ccc(C#N)cc2)CC[S@@]1=O ZINC000186735742 266010857 /nfs/dbraw/zinc/01/08/57/266010857.db2.gz YBYYFWSTBIYZPT-JOCHJYFZSA-N 0 0 318.442 2.250 10 30 DEEERN Cn1ccc(CNc2ccn(-c3ccc(C#N)cc3Cl)n2)n1 ZINC000359783175 424833507 /nfs/dbraw/zinc/83/35/07/424833507.db2.gz AQHVBHVHTKZDDQ-UHFFFAOYSA-N 0 0 312.764 2.743 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@@H](c3nnc(N)o3)C2)CCCC1 ZINC000636198178 424848372 /nfs/dbraw/zinc/84/83/72/424848372.db2.gz SFRWOEIWJFZNIM-GFCCVEGCSA-N 0 0 304.394 2.494 10 30 DEEERN Cc1cn(-c2ccc(C#N)cn2)nc1NCc1ncc(C2CC2)o1 ZINC000547301608 424865975 /nfs/dbraw/zinc/86/59/75/424865975.db2.gz KWSALNNJVFTDFQ-UHFFFAOYSA-N 0 0 320.356 2.925 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCCC[C@H](CCOC)C2)s1 ZINC000372201575 424883308 /nfs/dbraw/zinc/88/33/08/424883308.db2.gz PFDJOEPDMXPKIZ-CYBMUJFWSA-N 0 0 323.462 3.020 10 30 DEEERN COc1cc(CNc2nc(C)cc(C#N)n2)ccc1OC(F)F ZINC000557476903 424884329 /nfs/dbraw/zinc/88/43/29/424884329.db2.gz IHEKACNIICUUBB-UHFFFAOYSA-N 0 0 320.299 2.879 10 30 DEEERN C=C(C)CN(CC)C(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000364626856 424858108 /nfs/dbraw/zinc/85/81/08/424858108.db2.gz DDTKABCPEASDGU-UHFFFAOYSA-N 0 0 306.395 2.667 10 30 DEEERN Cc1nnc(NC(=O)NC[C@H]2CCCc3sc(C)nc32)s1 ZINC000328642728 424901780 /nfs/dbraw/zinc/90/17/80/424901780.db2.gz YLKBTQNOCAOEMT-SECBINFHSA-N 0 0 323.447 3.057 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCOC[C@@H]2CC2CCC2)s1 ZINC000582767198 424981013 /nfs/dbraw/zinc/98/10/13/424981013.db2.gz QBNMPDLSWULUOC-ZDUSSCGKSA-N 0 0 321.446 2.772 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2cnn(-c3ccccn3)c2)c1 ZINC000530915303 268278781 /nfs/dbraw/zinc/27/87/81/268278781.db2.gz UWVUWEIGTDDZFS-UHFFFAOYSA-N 0 0 303.325 2.320 10 30 DEEERN COc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1NC(N)=O ZINC000518048479 269396555 /nfs/dbraw/zinc/39/65/55/269396555.db2.gz OHWOWEXPTILLBT-UHFFFAOYSA-N 0 0 324.340 2.239 10 30 DEEERN C[C@@H]1CN(C(=O)c2ccc(C#N)n2C)[C@@H](c2ccccc2)CO1 ZINC000450050120 288026985 /nfs/dbraw/zinc/02/69/85/288026985.db2.gz RRTFTRWGTZHFOM-CXAGYDPISA-N 0 0 309.369 2.499 10 30 DEEERN C[C@H]([C@H](C)N(C)CC#Cc1ccc(Cl)cc1)S(C)(=O)=O ZINC000177170602 278303978 /nfs/dbraw/zinc/30/39/78/278303978.db2.gz CTLFPQXGXGULIM-QWHCGFSZSA-N 0 0 313.850 2.445 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000329616337 294815749 /nfs/dbraw/zinc/81/57/49/294815749.db2.gz FOROSLKNGHJIQV-STQMWFEESA-N 0 0 313.357 2.466 10 30 DEEERN O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000330017553 303511672 /nfs/dbraw/zinc/51/16/72/303511672.db2.gz RHWXBCUUANLRMH-QKPAOTATSA-N 0 0 302.374 2.294 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@@H]1c1ccccn1 ZINC000570779214 332815022 /nfs/dbraw/zinc/81/50/22/332815022.db2.gz UPCWTFLBPNCNIK-OAHLLOKOSA-N 0 0 301.390 2.170 10 30 DEEERN C=CCn1c(CC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000558678161 331934284 /nfs/dbraw/zinc/93/42/84/331934284.db2.gz ZMYNBTZJTRYEPT-GRDNDAEWSA-N 0 0 320.437 2.189 10 30 DEEERN C=CCOCC(=O)Nc1nc2cc(OC)c(OC)cc2s1 ZINC000517879190 331975984 /nfs/dbraw/zinc/97/59/84/331975984.db2.gz HHTINGAZWUBBAZ-UHFFFAOYSA-N 0 0 308.359 2.455 10 30 DEEERN CC(=O)N[C@@H](C(=O)NCc1ccc(CC#N)cc1)C1CCCC1 ZINC000582124149 332330198 /nfs/dbraw/zinc/33/01/98/332330198.db2.gz TXYJPUHXGXSXEI-QGZVFWFLSA-N 0 0 313.401 2.064 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000185716876 333370586 /nfs/dbraw/zinc/37/05/86/333370586.db2.gz SNXVMPMVLKZREK-LBPRGKRZSA-N 0 0 305.765 2.397 10 30 DEEERN N#C[C@@H]1CN(C(=O)Nc2ccc(F)c(F)c2)CCN1C1CC1 ZINC000365238403 333399564 /nfs/dbraw/zinc/39/95/64/333399564.db2.gz HQHAQHMZZLYAKC-GFCCVEGCSA-N 0 0 306.316 2.169 10 30 DEEERN C=CCn1c(N2CC[C@@H]3OCC[C@@H]3C2)nnc1[C@@]1(C)CCCO1 ZINC000571561391 333816259 /nfs/dbraw/zinc/81/62/59/333816259.db2.gz OPSZIELTIVBFLY-JKIFEVAISA-N 0 0 318.421 2.105 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000358871172 336645656 /nfs/dbraw/zinc/64/56/56/336645656.db2.gz OEDNAGGTXVNLIN-VNQPRFMTSA-N 0 0 318.417 2.469 10 30 DEEERN CCN(C[C@H](C)OC)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000361045670 336734940 /nfs/dbraw/zinc/73/49/40/336734940.db2.gz SIGAECJCHFYZTD-LRDDRELGSA-N 0 0 312.410 2.131 10 30 DEEERN N#C[C@@H]1CN(C(=O)Nc2cc(F)c(F)cc2F)CCN1C1CC1 ZINC000362984853 336816966 /nfs/dbraw/zinc/81/69/66/336816966.db2.gz XNVVTXUJWINUEK-SNVBAGLBSA-N 0 0 324.306 2.308 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CCO[C@]2(CCSC2)C1 ZINC000582603978 337112572 /nfs/dbraw/zinc/11/25/72/337112572.db2.gz HIHFKSIVGMJEMA-GOEBONIOSA-N 0 0 312.479 2.007 10 30 DEEERN C#C[C@@H](C)NC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000185319598 337204931 /nfs/dbraw/zinc/20/49/31/337204931.db2.gz HJKLVTSGNWWMFF-SCZZXKLOSA-N 0 0 311.307 2.047 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000582842239 337208097 /nfs/dbraw/zinc/20/80/97/337208097.db2.gz MRWJRKPFCZZJIA-LJIGWXMPSA-N 0 0 308.422 2.082 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(CC)s1 ZINC000583125306 337241031 /nfs/dbraw/zinc/24/10/31/337241031.db2.gz QEEMOXCVXGVBHR-NEPJUHHUSA-N 0 0 301.433 2.322 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1noc2ccccc21 ZINC000584419453 337323363 /nfs/dbraw/zinc/32/33/63/337323363.db2.gz GYMCNPVZFMHHOY-FZMZJTMJSA-N 0 0 301.346 2.218 10 30 DEEERN C=CCCCCCNC(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000584420774 337323878 /nfs/dbraw/zinc/32/38/78/337323878.db2.gz TWKPSHMVYGIHGF-UHFFFAOYSA-N 0 0 310.419 2.071 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@H](C)Cc1ccc(O)cc1 ZINC000583822909 337336932 /nfs/dbraw/zinc/33/69/32/337336932.db2.gz BRDSAJYSHDCDMK-CQSZACIVSA-N 0 0 318.417 2.302 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(-c2nnc(C)o2)c1 ZINC000515414511 337988426 /nfs/dbraw/zinc/98/84/26/337988426.db2.gz GMOWRVWYESTNAF-GJZGRUSLSA-N 0 0 313.357 2.366 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CCCC4(CC4)C3)cc2C1=O ZINC000548440062 341260877 /nfs/dbraw/zinc/26/08/77/341260877.db2.gz HERNILPGTKDEBO-UHFFFAOYSA-N 0 0 324.380 2.485 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C)c1ncc(C)s1 ZINC000564882956 341512290 /nfs/dbraw/zinc/51/22/90/341512290.db2.gz SVBVXIGNCOAWPP-DRZSPHRISA-N 0 0 309.435 2.445 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000565808830 341538889 /nfs/dbraw/zinc/53/88/89/341538889.db2.gz MKOWYDRXMHZUGQ-RHSMWYFYSA-N 0 0 312.369 2.458 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000566137041 341548650 /nfs/dbraw/zinc/54/86/50/341548650.db2.gz QKVKKBXCCGDIND-HOCLYGCPSA-N 0 0 307.415 2.045 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccccc1)C[C@H](C)O ZINC000566145722 341548996 /nfs/dbraw/zinc/54/89/96/341548996.db2.gz LFRGLCLMVZXCFB-XIRDDKMYSA-N 0 0 318.417 2.170 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000567842099 341636390 /nfs/dbraw/zinc/63/63/90/341636390.db2.gz OLHWWLKMAKDPBH-XDNAFOTISA-N 0 0 323.396 2.436 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCC(OC(C)C)CC1 ZINC000574531099 341761422 /nfs/dbraw/zinc/76/14/22/341761422.db2.gz LFRUHCXBYSUMBK-UHFFFAOYSA-N 0 0 310.438 2.265 10 30 DEEERN C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@H](C#N)C2)o1 ZINC000362873307 533746893 /nfs/dbraw/zinc/74/68/93/533746893.db2.gz UBCDUVOOQBLHLI-RGDJUOJXSA-N 0 0 300.358 2.257 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(CC(C)(C)O)C1CC1 ZINC000190072761 533962350 /nfs/dbraw/zinc/96/23/50/533962350.db2.gz BTBYWZXUHKAHMJ-GFCCVEGCSA-N 0 0 302.374 2.087 10 30 DEEERN COc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1F ZINC000369218835 534106756 /nfs/dbraw/zinc/10/67/56/534106756.db2.gz LNEUKTLVRIMTDS-CYBMUJFWSA-N 0 0 318.352 2.038 10 30 DEEERN COC(=O)c1ccc(CNc2ccc(C#N)nn2)nc1C1CC1 ZINC000302008040 534149387 /nfs/dbraw/zinc/14/93/87/534149387.db2.gz BDVACNDTVCIDHH-UHFFFAOYSA-N 0 0 309.329 2.019 10 30 DEEERN C[C@@H]1OCC[C@]1(C)NC(=O)c1cc(=O)n(C)c2ccccc12 ZINC000329672349 534203189 /nfs/dbraw/zinc/20/31/89/534203189.db2.gz UNRVVAOTIYTHHM-GTNSWQLSSA-N 0 0 300.358 2.411 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cnc(CCC)o1 ZINC000454911506 534350093 /nfs/dbraw/zinc/35/00/93/534350093.db2.gz YLANKLZCPJLALP-IUODEOHRSA-N 0 0 307.394 2.408 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@@H](C)COCC)c(OC)c1 ZINC000492192388 534420616 /nfs/dbraw/zinc/42/06/16/534420616.db2.gz GAIMMSLRMRLKPN-ZDUSSCGKSA-N 0 0 307.390 2.344 10 30 DEEERN CCOCCN1CCN(C(=O)c2sccc2C#N)C[C@H]1CC ZINC000116767048 519918395 /nfs/dbraw/zinc/91/83/95/519918395.db2.gz VSKZNWMBYBRCAG-CQSZACIVSA-N 0 0 321.446 2.193 10 30 DEEERN C=CC(C)(C)CNC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000454723660 534511783 /nfs/dbraw/zinc/51/17/83/534511783.db2.gz SYQOHLASSFSAJY-UHFFFAOYSA-N 0 0 304.316 2.450 10 30 DEEERN COc1cc(C=NNc2nc(C)cc(=O)[nH]2)ccc1OC(C)C ZINC000033378414 522007520 /nfs/dbraw/zinc/00/75/20/522007520.db2.gz VIQNCBRTSTTZDH-MFOYZWKCSA-N 0 0 316.361 2.320 10 30 DEEERN Cc1ncc(CN2CCN(C[C@H](C#N)CCC#N)CC2)s1 ZINC000105902385 534737913 /nfs/dbraw/zinc/73/79/13/534737913.db2.gz ZSEJUATXNJKEAY-AWEZNQCLSA-N 0 0 303.435 2.013 10 30 DEEERN N#Cc1ccnc(NC(=O)c2csc(-c3cnccn3)n2)c1 ZINC000435988986 534825670 /nfs/dbraw/zinc/82/56/70/534825670.db2.gz ASXYCVJIZIDTHX-UHFFFAOYSA-N 0 0 308.326 2.119 10 30 DEEERN C=CCN(CCOC)C(=O)NCCOc1ccc(F)cc1F ZINC000188694166 526288427 /nfs/dbraw/zinc/28/84/27/526288427.db2.gz XNMKOPXVJSDSQS-UHFFFAOYSA-N 0 0 314.332 2.188 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)Nc1cn(C)nc1OC ZINC000354735003 526320454 /nfs/dbraw/zinc/32/04/54/526320454.db2.gz MSMQSLLERRSUFF-UHFFFAOYSA-N 0 0 304.350 2.284 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCC[C@@H]3C)cc2C1=O ZINC000337137307 526411326 /nfs/dbraw/zinc/41/13/26/526411326.db2.gz FHYILCCDJYGTFG-NHYWBVRUSA-N 0 0 312.369 2.387 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)Cc2c(C)cccc2Cl)C1=O ZINC000337076696 526493037 /nfs/dbraw/zinc/49/30/37/526493037.db2.gz RCLOGYYCAOSCJX-HNNXBMFYSA-N 0 0 320.820 2.436 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)c2cnn([C@H](C)CC)c2C)C1=O ZINC000337048897 526497865 /nfs/dbraw/zinc/49/78/65/526497865.db2.gz HXHPYHRZYMDIIF-DOMZBBRYSA-N 0 0 318.421 2.021 10 30 DEEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1cncnc1 ZINC000342480869 526569554 /nfs/dbraw/zinc/56/95/54/526569554.db2.gz FKEQFHSVZMHJHB-UHFFFAOYSA-N 0 0 313.405 2.401 10 30 DEEERN C=CCNC(=O)N1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000192254537 526582589 /nfs/dbraw/zinc/58/25/89/526582589.db2.gz PGHAGVMDBKVHPU-UHFFFAOYSA-N 0 0 323.418 2.395 10 30 DEEERN CC(=O)N1CCC[C@H](CNC(=O)c2snnc2C(C)(C)C)C1 ZINC000331045100 526586864 /nfs/dbraw/zinc/58/68/64/526586864.db2.gz HDXDSKOOQWFQCU-LLVKDONJSA-N 0 0 324.450 2.399 10 30 DEEERN C=C(C)CNC(=O)c1cccc(-c2nnc(CCOC)o2)c1 ZINC000428107459 526622553 /nfs/dbraw/zinc/62/25/53/526622553.db2.gz OTLGMEQEJNIELL-UHFFFAOYSA-N 0 0 301.346 2.231 10 30 DEEERN C=C(C)COCCNC(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000435518458 526647957 /nfs/dbraw/zinc/64/79/57/526647957.db2.gz JAWRXHZKSUEVJX-AWEZNQCLSA-N 0 0 317.389 2.004 10 30 DEEERN CC(=O)N1CCc2cc(NC(=O)N[C@H]3CCC[C@@H]3C#N)ccc21 ZINC000408235680 526673899 /nfs/dbraw/zinc/67/38/99/526673899.db2.gz LDOYXESIQKOXOW-HIFRSBDPSA-N 0 0 312.373 2.409 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cnc(-c2cccc(O)c2)nc1 ZINC000376724715 526674160 /nfs/dbraw/zinc/67/41/60/526674160.db2.gz ZVAZOFVLEOAQAO-UHFFFAOYSA-N 0 0 305.337 2.451 10 30 DEEERN C#CCCCNC(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374757365 526711189 /nfs/dbraw/zinc/71/11/89/526711189.db2.gz GXLVKWDFZCSYNT-GOSISDBHSA-N 0 0 300.402 2.136 10 30 DEEERN C#CCCCNC(=O)N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000369775226 526712992 /nfs/dbraw/zinc/71/29/92/526712992.db2.gz PBBORIPGVSXHPN-CQSZACIVSA-N 0 0 323.437 2.489 10 30 DEEERN C#CCCCS(=O)(=O)N1CCC(c2ccc(C)nc2)CC1 ZINC000376358147 526717189 /nfs/dbraw/zinc/71/71/89/526717189.db2.gz HOXCCDMLUDCLKU-UHFFFAOYSA-N 0 0 306.431 2.313 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC000283123626 526736438 /nfs/dbraw/zinc/73/64/38/526736438.db2.gz BYYVSVNZAVKRMC-IHRRRGAJSA-N 0 0 306.410 2.034 10 30 DEEERN C=CCOCCCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000246173610 526737023 /nfs/dbraw/zinc/73/70/23/526737023.db2.gz JNMSTSGMWQNNEM-KFWWJZLASA-N 0 0 309.406 2.302 10 30 DEEERN C#CCCS(=O)(=O)N1CCC(Cc2ccc(OC)cc2)CC1 ZINC000377312775 526747243 /nfs/dbraw/zinc/74/72/43/526747243.db2.gz YYVXZKSERIVCPD-UHFFFAOYSA-N 0 0 321.442 2.303 10 30 DEEERN C=C(C)[C@@H](CC(=O)Nc1cc(-c2nccn2C)nn1C)OCC ZINC000371057854 526751663 /nfs/dbraw/zinc/75/16/63/526751663.db2.gz ZDLHWHQJXANNQO-CYBMUJFWSA-N 0 0 317.393 2.130 10 30 DEEERN C=CCOCCNC(=O)N1CCO[C@H](c2ccccc2C)C1 ZINC000371645968 526777209 /nfs/dbraw/zinc/77/72/09/526777209.db2.gz LVZITGPHCPHJEY-INIZCTEOSA-N 0 0 304.390 2.281 10 30 DEEERN C=CCOCCNC(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000371643207 526778555 /nfs/dbraw/zinc/77/85/55/526778555.db2.gz UWSUJOFELHGBIT-GXTWGEPZSA-N 0 0 310.419 2.422 10 30 DEEERN C=CCOCCNC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000369983685 526778697 /nfs/dbraw/zinc/77/86/97/526778697.db2.gz JRLXLWBZPSBXRY-HOTGVXAUSA-N 0 0 304.390 2.409 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCCc1ccccn1 ZINC000281589087 526797071 /nfs/dbraw/zinc/79/70/71/526797071.db2.gz QEURKSOFNVKPSZ-HOCLYGCPSA-N 0 0 303.406 2.295 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@@H](c1nc[nH]n1)c1ccccc1)OCC ZINC000368813898 526814703 /nfs/dbraw/zinc/81/47/03/526814703.db2.gz MFBYUTAXSSLUIT-GOEBONIOSA-N 0 0 314.389 2.382 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1snc(C)c1C#N ZINC000297465149 526832368 /nfs/dbraw/zinc/83/23/68/526832368.db2.gz QPCXOKVIFSUWPT-ZYHUDNBSSA-N 0 0 306.391 2.426 10 30 DEEERN C=CC[C@@H](C)NC(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000378307111 527023079 /nfs/dbraw/zinc/02/30/79/527023079.db2.gz PFKZXLHXZLDZCH-RISCZKNCSA-N 0 0 306.410 2.084 10 30 DEEERN C=CCC1(C(=O)NCc2ccc(OC)nc2OC)CCOCC1 ZINC000424837739 527056767 /nfs/dbraw/zinc/05/67/67/527056767.db2.gz USSGBVCVIMNOQI-UHFFFAOYSA-N 0 0 320.389 2.088 10 30 DEEERN C=CCCC(=O)N1CCCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000377829822 527069295 /nfs/dbraw/zinc/06/92/95/527069295.db2.gz YLPHSMDJJARNPK-UHFFFAOYSA-N 0 0 316.401 2.336 10 30 DEEERN C#CCO[C@@H](C)C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000294460448 527072382 /nfs/dbraw/zinc/07/23/82/527072382.db2.gz MRQWCFGRQVPPLN-WFASDCNBSA-N 0 0 307.777 2.278 10 30 DEEERN C#CCO[C@H](C)C(=O)N1CCC[C@@H]1Cc1ccccc1OC ZINC000294811679 527078895 /nfs/dbraw/zinc/07/88/95/527078895.db2.gz VHBRRIDVFDZBGL-GDBMZVCRSA-N 0 0 301.386 2.267 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC1CCN(c2cccc(F)c2)CC1 ZINC000375242851 527088688 /nfs/dbraw/zinc/08/86/88/527088688.db2.gz RDXDUBSWGIQWRJ-HNNXBMFYSA-N 0 0 321.396 2.031 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000413832546 527089487 /nfs/dbraw/zinc/08/94/87/527089487.db2.gz JXCZAGJAEXIZKQ-DZKIICNBSA-N 0 0 304.390 2.035 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000378091183 527091853 /nfs/dbraw/zinc/09/18/53/527091853.db2.gz NBFKOLMFEKXVKN-XHSDSOJGSA-N 0 0 304.390 2.143 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000352271702 527095753 /nfs/dbraw/zinc/09/57/53/527095753.db2.gz RDAXLHFCGDGYFY-NSHDSACASA-N 0 0 324.178 2.379 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000337077380 527099236 /nfs/dbraw/zinc/09/92/36/527099236.db2.gz RTUULHRUIBCSFS-AWEZNQCLSA-N 0 0 312.373 2.016 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)NCC[C@](C)(O)COC ZINC000413583922 527108636 /nfs/dbraw/zinc/10/86/36/527108636.db2.gz PUPRDEBVHLWTJM-WMZOPIPTSA-N 0 0 320.433 2.261 10 30 DEEERN C=CC[C@H](C)NC(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000441753705 527134126 /nfs/dbraw/zinc/13/41/26/527134126.db2.gz PFZPUMKQOWLAAJ-LBPRGKRZSA-N 0 0 314.393 2.419 10 30 DEEERN C#CCSCCNC(=O)N(C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000136372121 527139190 /nfs/dbraw/zinc/13/91/90/527139190.db2.gz QRJJUSZSTUENAA-CJNGLKHVSA-N 0 0 318.442 2.386 10 30 DEEERN C=CC[C@H](CC)NC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000330805131 527142716 /nfs/dbraw/zinc/14/27/16/527142716.db2.gz KNMNUKDXCPJQSC-KBPBESRZSA-N 0 0 305.426 2.247 10 30 DEEERN C=CCCCCNC(=O)N1C[C@@H](OC)C[C@@H]1CC(=O)OCC ZINC000369964129 527153904 /nfs/dbraw/zinc/15/39/04/527153904.db2.gz KMWSRQWIMQJOGO-KGLIPLIRSA-N 0 0 312.410 2.095 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1cnn(C)c1 ZINC000287620849 527160157 /nfs/dbraw/zinc/16/01/57/527160157.db2.gz ZSSDKJRVELPFJL-KRWDZBQOSA-N 0 0 310.401 2.196 10 30 DEEERN C=CC[C@H](CO)CNC(=O)Cc1cscc1Br ZINC000345358185 527170605 /nfs/dbraw/zinc/17/06/05/527170605.db2.gz XRBMEASTPZCHPW-VIFPVBQESA-N 0 0 318.236 2.354 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C)[C@H]1CO ZINC000288200138 527173042 /nfs/dbraw/zinc/17/30/42/527173042.db2.gz PLHGEPRPFSSDKK-DJIMGWMZSA-N 0 0 300.402 2.033 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000341840449 527175787 /nfs/dbraw/zinc/17/57/87/527175787.db2.gz MGBFLNSHZAKEMP-VWPFQQQWSA-N 0 0 318.417 2.423 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](C)CCCc1cccnc1 ZINC000410688412 527177625 /nfs/dbraw/zinc/17/76/25/527177625.db2.gz NFMUIPOHEXIKAW-HNNXBMFYSA-N 0 0 317.433 2.334 10 30 DEEERN C=CCCCN(C)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000182537559 527186262 /nfs/dbraw/zinc/18/62/62/527186262.db2.gz XHVSPGURYGYXQL-HNNXBMFYSA-N 0 0 316.405 2.185 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc(OC)c(S(C)(=O)=O)c1 ZINC000295911404 527190831 /nfs/dbraw/zinc/19/08/31/527190831.db2.gz REEPQSJDVSJPEP-UHFFFAOYSA-N 0 0 311.403 2.137 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000448373250 527210905 /nfs/dbraw/zinc/21/09/05/527210905.db2.gz GQRHGKGETUKKRS-UHFFFAOYSA-N 0 0 312.373 2.202 10 30 DEEERN C=CCCCNC(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000448042753 527221473 /nfs/dbraw/zinc/22/14/73/527221473.db2.gz KKYOTOPPKQLOPU-UKRRQHHQSA-N 0 0 301.390 2.446 10 30 DEEERN C=CCCCNC(=O)Nc1ccc(F)c(-n2nnnc2C)c1 ZINC000448010995 527223374 /nfs/dbraw/zinc/22/33/74/527223374.db2.gz GRRRBENBDLAFGM-UHFFFAOYSA-N 0 0 304.329 2.198 10 30 DEEERN CC(C)(C[C@H]1CCCN(C(=O)C2(C#N)CCCC2)C1)C(N)=O ZINC000408468877 527229984 /nfs/dbraw/zinc/22/99/84/527229984.db2.gz RFMIPIGVXISPBF-CYBMUJFWSA-N 0 0 305.422 2.211 10 30 DEEERN CC(=O)c1ccc(C#N)cc1NC[C@H](C)N1CCOC[C@H]1C ZINC000302105419 527232082 /nfs/dbraw/zinc/23/20/82/527232082.db2.gz NIDLVZIZPGNOBC-QWHCGFSZSA-N 0 0 301.390 2.282 10 30 DEEERN C=CCc1cc(CNC(=O)C(C)(C)OC)cc(OC)c1OC ZINC000337423448 527238204 /nfs/dbraw/zinc/23/82/04/527238204.db2.gz BVRWRLWNMZIEQU-UHFFFAOYSA-N 0 0 307.390 2.474 10 30 DEEERN C=CCc1ccc(OCC(=O)N2CC[C@@H](O)C2(C)C)c(OC)c1 ZINC000361171257 527249219 /nfs/dbraw/zinc/24/92/19/527249219.db2.gz MQTIWCUEPLEBOB-MRXNPFEDSA-N 0 0 319.401 2.174 10 30 DEEERN C=CCc1ccc(OS(=O)(=O)[C@@H]2CCO[C@H]2C)c(OC)c1 ZINC000135497124 527256646 /nfs/dbraw/zinc/25/66/46/527256646.db2.gz BCBUXCOXPIAZEM-XHDPSFHLSA-N 0 0 312.387 2.310 10 30 DEEERN C=CCn1c(-c2ccc[nH]2)nnc1N1CCc2cc[nH]c(=O)c2C1 ZINC000350740442 527271155 /nfs/dbraw/zinc/27/11/55/527271155.db2.gz BYLBTIYSQNJNKK-UHFFFAOYSA-N 0 0 322.372 2.123 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCSC[C@H](C(=O)OC)C1 ZINC000413445971 527288262 /nfs/dbraw/zinc/28/82/62/527288262.db2.gz XAMYSHLVMBHAEO-QWHCGFSZSA-N 0 0 314.451 2.279 10 30 DEEERN C=CCn1c(CC2CC2)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC000282713593 527314711 /nfs/dbraw/zinc/31/47/11/527314711.db2.gz VWGDYXPZVNTREK-AWEZNQCLSA-N 0 0 312.421 2.144 10 30 DEEERN C=CCCOCCNC(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000364931231 527358275 /nfs/dbraw/zinc/35/82/75/527358275.db2.gz QHOVPXLYHKKDLX-OAHLLOKOSA-N 0 0 320.437 2.213 10 30 DEEERN C=CCCO[C@@H](C)c1nc(-c2ccc(S(N)(=O)=O)cc2)no1 ZINC000337998243 527387281 /nfs/dbraw/zinc/38/72/81/527387281.db2.gz NIRIRDNGXOCEIB-JTQLQIEISA-N 0 0 323.374 2.038 10 30 DEEERN C=CCCS(=O)(=O)N1CCN(c2ccccc2)C[C@H]1CC ZINC000186112077 527409332 /nfs/dbraw/zinc/40/93/32/527409332.db2.gz UMDCLYQGBCISTL-OAHLLOKOSA-N 0 0 308.447 2.493 10 30 DEEERN C#Cc1ccc(CNC(=O)Cc2c(CC)nn(C)c2CC)cc1 ZINC000295438592 527435559 /nfs/dbraw/zinc/43/55/59/527435559.db2.gz LFDJJFZSHWFCPG-UHFFFAOYSA-N 0 0 309.413 2.385 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)C[C@H](O)C2CCCCC2)c1 ZINC000190402773 527451013 /nfs/dbraw/zinc/45/10/13/527451013.db2.gz XDJKECYIKDBQSO-SFHVURJKSA-N 0 0 314.429 2.479 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000412951620 527488617 /nfs/dbraw/zinc/48/86/17/527488617.db2.gz OXDUNCSICRZJIS-IMJJTQAJSA-N 0 0 304.365 2.112 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000425625483 527495588 /nfs/dbraw/zinc/49/55/88/527495588.db2.gz FZXGDBFZMRSALX-JSGCOSHPSA-N 0 0 304.346 2.186 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCc2cc(C)ccc2O1 ZINC000424926197 527496740 /nfs/dbraw/zinc/49/67/40/527496740.db2.gz RJPDCRUHMKUNOA-ZOBUZTSGSA-N 0 0 301.386 2.396 10 30 DEEERN C=CCCc1ccccc1NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000337547591 527504044 /nfs/dbraw/zinc/50/40/44/527504044.db2.gz NOYHDRYYLHPIAI-UHFFFAOYSA-N 0 0 315.373 2.074 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000333196301 527504213 /nfs/dbraw/zinc/50/42/13/527504213.db2.gz POZQKGOBNPBHOP-OWCLPIDISA-N 0 0 308.422 2.321 10 30 DEEERN CCOc1cc(N2CC[C@@H](n3ccc(NC(C)=O)n3)C2)ncn1 ZINC000328608879 528312830 /nfs/dbraw/zinc/31/28/30/528312830.db2.gz BNZPIBMQHDKPJQ-GFCCVEGCSA-N 0 0 316.365 2.131 10 30 DEEERN CN(C)c1nc2cc(NC(=O)c3ccnc(C#N)c3)ccc2o1 ZINC000193574513 536156356 /nfs/dbraw/zinc/15/63/56/536156356.db2.gz IBOVMRRDESGIMP-UHFFFAOYSA-N 0 0 307.313 2.413 10 30 DEEERN COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(C#N)cn1C ZINC000191451166 536644301 /nfs/dbraw/zinc/64/43/01/536644301.db2.gz TYLJJBKPDNXPDH-MRXNPFEDSA-N 0 0 311.385 2.226 10 30 DEEERN COc1ccccc1N(C(=O)[C@@H](C)n1cnc(C#N)n1)C(C)C ZINC000362172785 537057699 /nfs/dbraw/zinc/05/76/99/537057699.db2.gz HHMPTFAOYBOGGR-GFCCVEGCSA-N 0 0 313.361 2.161 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CO)C1CCCC1 ZINC000292144347 537705037 /nfs/dbraw/zinc/70/50/37/537705037.db2.gz YLHZZJOFRLBPES-ROUUACIJSA-N 0 0 314.429 2.471 10 30 DEEERN Cc1cc(C(=O)OCC2(C#N)CCOCC2)nn1C(C)(C)C ZINC000183922577 625320876 /nfs/dbraw/zinc/32/08/76/625320876.db2.gz WSTOWLXGYLISBO-UHFFFAOYSA-N 0 0 305.378 2.424 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)c2ccc(C#N)cc2C)c1 ZINC000162185998 625362015 /nfs/dbraw/zinc/36/20/15/625362015.db2.gz HFGZLUQWWFPLHY-UHFFFAOYSA-N 0 0 317.348 2.217 10 30 DEEERN Cc1csc(=Nc2ccccc2C#N)n1CC(=O)NC1CC1 ZINC000255601692 625423339 /nfs/dbraw/zinc/42/33/39/625423339.db2.gz FFTLEPJMUVZIRP-UHFFFAOYSA-N 0 0 312.398 2.241 10 30 DEEERN C[C@@H](NC(=O)/C=C\c1ccccc1C#N)c1nnc2n1CCCC2 ZINC000255118279 623516033 /nfs/dbraw/zinc/51/60/33/623516033.db2.gz WQBOBVQCPFQQMI-ASCRHOAZSA-N 0 0 321.384 2.377 10 30 DEEERN Cc1cc(C(=O)NC2(CO)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000160328853 623564109 /nfs/dbraw/zinc/56/41/09/623564109.db2.gz CLSMBYWDWPJRGD-UHFFFAOYSA-N 0 0 309.369 2.221 10 30 DEEERN Cc1ccc([C@@](O)(CC(=O)N[C@@H](C#N)C2CC2)C(F)(F)F)o1 ZINC000180097395 625103866 /nfs/dbraw/zinc/10/38/66/625103866.db2.gz ZZVLEUHKORAPML-GWCFXTLKSA-N 0 0 316.279 2.146 10 30 DEEERN CCCC[C@H](NC(=O)NCC)C(=O)OCC#Cc1ccccc1 ZINC000156701942 625165426 /nfs/dbraw/zinc/16/54/26/625165426.db2.gz KSMAJLHTOJIWAG-INIZCTEOSA-N 0 0 316.401 2.459 10 30 DEEERN C[C@H](OC1CCCCCC1)C(=O)[C@@H](C#N)C(=O)N1CCCC1 ZINC000162262403 625203594 /nfs/dbraw/zinc/20/35/94/625203594.db2.gz HDZVMBUSXOARLA-DZGCQCFKSA-N 0 0 306.406 2.446 10 30 DEEERN CC(C)(CCC#N)COC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000195086511 625772430 /nfs/dbraw/zinc/77/24/30/625772430.db2.gz LKSVOIVOLBAJHD-BETUJISGSA-N 0 0 320.389 2.035 10 30 DEEERN C#C[C@H](OC(=O)[C@H]1CSCN1C(=O)/C(C)=C/CC)C1CC1 ZINC000179539933 625795418 /nfs/dbraw/zinc/79/54/18/625795418.db2.gz CHCFSCSWZDNVOY-BLOBHPOZSA-N 0 0 307.415 2.199 10 30 DEEERN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H](C)CC#N)c1 ZINC000733709316 633272151 /nfs/dbraw/zinc/27/21/51/633272151.db2.gz BQBGXZDCUFLQMW-SECBINFHSA-N 0 0 303.318 2.062 10 30 DEEERN C=C(COC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C(=O)OCC ZINC000734026314 633312160 /nfs/dbraw/zinc/31/21/60/633312160.db2.gz BHWRBGLFGJAROA-UHFFFAOYSA-N 0 0 318.304 2.492 10 30 DEEERN C=C(COC(=O)[C@H](c1ccccc1)n1cccn1)C(=O)OCC ZINC000734030219 633313689 /nfs/dbraw/zinc/31/36/89/633313689.db2.gz ZFJNJXTUCAISKF-HNNXBMFYSA-N 0 0 314.341 2.135 10 30 DEEERN C=C(COC(=O)c1cc(-c2ccccc2)[nH]n1)C(=O)OCC ZINC000734025619 633317801 /nfs/dbraw/zinc/31/78/01/633317801.db2.gz XQXCUYRBABAANO-UHFFFAOYSA-N 0 0 300.314 2.353 10 30 DEEERN C=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)OCC ZINC000734025159 633317875 /nfs/dbraw/zinc/31/78/75/633317875.db2.gz DMMSMLFOCHSALX-FNORWQNLSA-N 0 0 304.298 2.091 10 30 DEEERN C=CC[C@@H](NC(=O)[C@@H]1CSCN1C(=O)CC)c1ccncc1 ZINC000734458372 633375555 /nfs/dbraw/zinc/37/55/55/633375555.db2.gz XYUQMPCXSPSCBI-KGLIPLIRSA-N 0 0 319.430 2.127 10 30 DEEERN Cc1ccccc1SCC(=O)[C@H](C#N)C(=O)N1CCCC1 ZINC000124462131 633386561 /nfs/dbraw/zinc/38/65/61/633386561.db2.gz NGTBZTRQWYKREL-ZDUSSCGKSA-N 0 0 302.399 2.418 10 30 DEEERN C=CC[C@@H](NC(=O)N(C)CC(=O)NC(C)(C)C)c1ccncc1 ZINC000734683770 633414636 /nfs/dbraw/zinc/41/46/36/633414636.db2.gz QDJCOXTWRQMKTM-CQSZACIVSA-N 0 0 318.421 2.255 10 30 DEEERN C=C(Cl)CNC(=O)CNC(=O)c1cc2c(s1)CCCC2 ZINC000736247037 633583188 /nfs/dbraw/zinc/58/31/88/633583188.db2.gz VUJDMVAUXUOTSH-UHFFFAOYSA-N 0 0 312.822 2.225 10 30 DEEERN C=CCCCN(C)CN1C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000736589169 633662984 /nfs/dbraw/zinc/66/29/84/633662984.db2.gz CGFHVRLHONNSGC-OAHLLOKOSA-N 0 0 301.390 2.005 10 30 DEEERN CC1(C)CC[C@@H](CNC(=O)NCc2ccc(OCC#N)cc2)O1 ZINC000186543224 636229179 /nfs/dbraw/zinc/22/91/79/636229179.db2.gz CMXMKCBLYMHMAP-HNNXBMFYSA-N 0 0 317.389 2.346 10 30 DEEERN C=CCN(CC(F)(F)F)S(=O)(=O)c1ccc(C#N)cc1 ZINC000060208300 636381017 /nfs/dbraw/zinc/38/10/17/636381017.db2.gz BNMLZIMUGVMUJJ-UHFFFAOYSA-N 0 0 304.293 2.297 10 30 DEEERN C#CCCNC(=O)CCSCc1nc2ccccc2c(=O)[nH]1 ZINC000739731170 637688703 /nfs/dbraw/zinc/68/87/03/637688703.db2.gz NMEUGFLTKAERRJ-UHFFFAOYSA-N 0 0 315.398 2.098 10 30 DEEERN C#CCNC(=O)[C@H](C)OC(=O)[C@@H](Sc1ccccc1)C(C)C ZINC000727212345 637782124 /nfs/dbraw/zinc/78/21/24/637782124.db2.gz IHYGUBXXFCZBPH-ZFWWWQNUSA-N 0 0 319.426 2.484 10 30 DEEERN CC[S@](=O)CCNC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000741418166 637979308 /nfs/dbraw/zinc/97/93/08/637979308.db2.gz MKXWOHSLRDZYIL-QFIPXVFZSA-N 0 0 323.418 2.236 10 30 DEEERN C=CCn1c(SCC(=O)N(C)OC)nnc1-c1ccoc1C ZINC000742207023 638046167 /nfs/dbraw/zinc/04/61/67/638046167.db2.gz KYBYAJUMUPFKEN-UHFFFAOYSA-N 0 0 322.390 2.144 10 30 DEEERN C=C(C)CCOC(=O)c1cc(Cl)c(-n2cnnn2)cc1OC ZINC000744299569 638207886 /nfs/dbraw/zinc/20/78/86/638207886.db2.gz HLWOAZLETPPONN-UHFFFAOYSA-N 0 0 322.752 2.447 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)CCC(C)(C)C(C)=O ZINC000746147418 638316592 /nfs/dbraw/zinc/31/65/92/638316592.db2.gz GHOFGVKVJITBBA-UHFFFAOYSA-N 0 0 314.385 2.384 10 30 DEEERN COc1ccc(CNC(=O)N2C[C@@H](C)OC(C)(C)C2)cc1C#N ZINC000746769042 638376311 /nfs/dbraw/zinc/37/63/11/638376311.db2.gz XTOHSELFNFFUQB-GFCCVEGCSA-N 0 0 317.389 2.276 10 30 DEEERN COc1ccc(CNC(=O)N(C)Cc2cccnc2)cc1C#N ZINC000746769059 638376676 /nfs/dbraw/zinc/37/66/76/638376676.db2.gz YCTFQTJALPRHRI-UHFFFAOYSA-N 0 0 310.357 2.303 10 30 DEEERN COc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1C#N ZINC000746872911 638383499 /nfs/dbraw/zinc/38/34/99/638383499.db2.gz QMOYLXFTQUARLS-UHFFFAOYSA-N 0 0 324.336 2.268 10 30 DEEERN COc1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1C#N ZINC000746887986 638384989 /nfs/dbraw/zinc/38/49/89/638384989.db2.gz VRERFFGWINAPFT-UHFFFAOYSA-N 0 0 310.309 2.226 10 30 DEEERN C=C(COC(=O)c1ccc(Br)nc1)C(=O)OCC ZINC000746998702 638397746 /nfs/dbraw/zinc/39/77/46/638397746.db2.gz VAXPNGXBHOEBPM-UHFFFAOYSA-N 0 0 314.135 2.120 10 30 DEEERN COc1ccc(CNC(=O)c2cccc(OC)c2O)cc1C#N ZINC000747071834 638404322 /nfs/dbraw/zinc/40/43/22/638404322.db2.gz VMFRJDSCCHPMHV-UHFFFAOYSA-N 0 0 312.325 2.211 10 30 DEEERN CCN(C[C@H]1CCOC1)C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747432658 638437573 /nfs/dbraw/zinc/43/75/73/638437573.db2.gz QDOBTWLHJAFDLP-CQSZACIVSA-N 0 0 317.389 2.135 10 30 DEEERN C#CC[C@H](OC(=O)c1ccc(OCC(=O)OC)cc1)C1CC1 ZINC000750775119 639025816 /nfs/dbraw/zinc/02/58/16/639025816.db2.gz QNJXQYVGYIHECS-HNNXBMFYSA-N 0 0 302.326 2.197 10 30 DEEERN C=CCOc1ccc(OS(=O)(=O)c2cncn2CC)cc1 ZINC000751250777 639068985 /nfs/dbraw/zinc/06/89/85/639068985.db2.gz FQHIDYLCIMNHQY-UHFFFAOYSA-N 0 0 308.359 2.236 10 30 DEEERN COC(=O)[C@H](OC(=O)C1=COCCC1)c1cccc(C#N)c1 ZINC000751661871 639103065 /nfs/dbraw/zinc/10/30/65/639103065.db2.gz DOMZKWAOYOPTJM-CQSZACIVSA-N 0 0 301.298 2.010 10 30 DEEERN C=C(COC(=O)c1cc(F)cc(Cl)c1O)C(=O)OCC ZINC000751731932 639113382 /nfs/dbraw/zinc/11/33/82/639113382.db2.gz QAEBAVNGHJPACU-UHFFFAOYSA-N 0 0 302.685 2.461 10 30 DEEERN C=CCNC(=O)NC(=O)COC(=O)C=C1CCC(C)(C)CC1 ZINC000751842892 639127113 /nfs/dbraw/zinc/12/71/13/639127113.db2.gz DALNAYDLRKTPEA-UHFFFAOYSA-N 0 0 308.378 2.068 10 30 DEEERN C#CCN(CC#C)C[C@H](O)COc1ccc(/C=C\C)cc1OC ZINC000752076561 639153890 /nfs/dbraw/zinc/15/38/90/639153890.db2.gz YQXWCMIXPJRJSM-AFCDSYGPSA-N 0 0 313.397 2.036 10 30 DEEERN C#CCN(CC#C)C(=O)[C@H]1CCN(c2ccc(C(C)C)cc2)C1=O ZINC000752150099 639159362 /nfs/dbraw/zinc/15/93/62/639159362.db2.gz KAQCSRGNUGTJHP-GOSISDBHSA-N 0 0 322.408 2.258 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)C(C)(C)c1cnn(C)c1 ZINC000752233814 639165459 /nfs/dbraw/zinc/16/54/59/639165459.db2.gz SHTAREHTIUKSPR-ZDUSSCGKSA-N 0 0 321.421 2.054 10 30 DEEERN N#Cc1cccc(CC(=O)NCC(=O)OC2CCCCC2)c1 ZINC000752456673 639186581 /nfs/dbraw/zinc/18/65/81/639186581.db2.gz YWXCFSKNSAULNR-UHFFFAOYSA-N 0 0 300.358 2.093 10 30 DEEERN C#Cc1ccc(C(=O)NCCCc2ccc(OC)c(OC)c2)cn1 ZINC000728818824 639444226 /nfs/dbraw/zinc/44/42/26/639444226.db2.gz PHHACEVNHOUYDX-UHFFFAOYSA-N 0 0 324.380 2.443 10 30 DEEERN C=CCCCCCCNS(=O)(=O)c1c(Cl)cnn1C ZINC000805103734 639704315 /nfs/dbraw/zinc/70/43/15/639704315.db2.gz BNZRHWQVUBGBQC-UHFFFAOYSA-N 0 0 305.831 2.488 10 30 DEEERN C#Cc1ccc(C(=O)OCC(=O)Nc2cc(F)cc(F)c2)nc1 ZINC000729008619 639847826 /nfs/dbraw/zinc/84/78/26/639847826.db2.gz HBLQONRGJVREJR-UHFFFAOYSA-N 0 0 316.263 2.137 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)(C)C ZINC000805148572 639848303 /nfs/dbraw/zinc/84/83/03/639848303.db2.gz FZUGPVRZBGAFOL-JTQLQIEISA-N 0 0 316.404 2.291 10 30 DEEERN C=CCc1cc(CNCc2nccn2C)cc(OC)c1OC ZINC000729683494 640825855 /nfs/dbraw/zinc/82/58/55/640825855.db2.gz SKJIQKBBKJNQKD-UHFFFAOYSA-N 0 0 301.390 2.456 10 30 DEEERN CO[C@@H]1C[C@H](c2nnc(C)o2)N(c2ncc(C#N)cc2Cl)C1 ZINC000779871447 642552696 /nfs/dbraw/zinc/55/26/96/642552696.db2.gz MMRRMCUKTXEGTQ-ZYHUDNBSSA-N 0 0 319.752 2.265 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCCOC[C@@H]1C ZINC000805786413 643267698 /nfs/dbraw/zinc/26/76/98/643267698.db2.gz QVAAVPISXNOJPY-DOTOQJQBSA-N 0 0 300.402 2.441 10 30 DEEERN C=CC[C@H](C(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)c1ccccc1 ZINC000909177703 645118322 /nfs/dbraw/zinc/11/83/22/645118322.db2.gz FHXJPKNXDNMRJY-VVLHAWIVSA-N 0 0 311.385 2.034 10 30 DEEERN C#CCNC(=O)[C@@H](C)N1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000800474492 645278460 /nfs/dbraw/zinc/27/84/60/645278460.db2.gz KIRIIZKLTFKKMA-CXAGYDPISA-N 0 0 306.356 2.143 10 30 DEEERN C#CCSCCNC(=O)N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000801023013 645332085 /nfs/dbraw/zinc/33/20/85/645332085.db2.gz CAXUUDQPNWIZIJ-CQSZACIVSA-N 0 0 322.405 2.487 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCCO[C@H](C)C#N ZINC000801830234 645445902 /nfs/dbraw/zinc/44/59/02/645445902.db2.gz RPUDEXYZAKYYPJ-CZUORRHYSA-N 0 0 316.357 2.434 10 30 DEEERN CC(C)(C)OC(=O)c1cnc(C(=O)OCCCCC#N)cn1 ZINC000801892726 645458274 /nfs/dbraw/zinc/45/82/74/645458274.db2.gz IZKPCFNEOYDIHD-UHFFFAOYSA-N 0 0 305.334 2.283 10 30 DEEERN C=C(C)CN(C)c1nnc(-c2ncccc2C)n1CCOC ZINC000802502443 645530479 /nfs/dbraw/zinc/53/04/79/645530479.db2.gz VYGLBCMWNKEECM-UHFFFAOYSA-N 0 0 301.394 2.307 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)nnn2C ZINC000803522695 645667478 /nfs/dbraw/zinc/66/74/78/645667478.db2.gz IUDLVGYUXDULRH-MRXNPFEDSA-N 0 0 318.380 2.333 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C(=O)N1CCC[C@H](C)C1)C(C)C ZINC000803697448 645681194 /nfs/dbraw/zinc/68/11/94/645681194.db2.gz FIOMLEBYJXHLIT-RDJZCZTQSA-N 0 0 317.429 2.476 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)NCc1ccccc1F ZINC000803699072 645681741 /nfs/dbraw/zinc/68/17/41/645681741.db2.gz PNUQCVIVOXPUHB-CYBMUJFWSA-N 0 0 315.344 2.036 10 30 DEEERN C=CCN1CC[C@H](OC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)C1=O ZINC000803737963 645688743 /nfs/dbraw/zinc/68/87/43/645688743.db2.gz QVISMCKVGDONII-VWYCJHECSA-N 0 0 305.296 2.295 10 30 DEEERN C=CCOc1ccc(CNC(=O)[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000804139637 645730779 /nfs/dbraw/zinc/73/07/79/645730779.db2.gz HDUJXCAWIGGMAL-GOSISDBHSA-N 0 0 322.364 2.473 10 30 DEEERN C=CCOc1ccc(CNC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000804139638 645731070 /nfs/dbraw/zinc/73/10/70/645731070.db2.gz HDUJXCAWIGGMAL-SFHVURJKSA-N 0 0 322.364 2.473 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC12OCCO2 ZINC000804459936 645774833 /nfs/dbraw/zinc/77/48/33/645774833.db2.gz RVVKXYKCDAKVLR-IAGOWNOFSA-N 0 0 313.397 2.280 10 30 DEEERN C#C[C@@H](C)NC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000806331300 645819988 /nfs/dbraw/zinc/81/99/88/645819988.db2.gz IHYNDUQOJIXPDW-ZPWHCFADSA-N 0 0 304.293 2.457 10 30 DEEERN C#C[C@@H](CC)NC(=O)N[C@H](c1c(C)nn(C)c1C)C(F)(F)F ZINC000806387307 645825650 /nfs/dbraw/zinc/82/56/50/645825650.db2.gz ILCHWDRTXBYZIC-CMPLNLGQSA-N 0 0 316.327 2.351 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000806461204 645833410 /nfs/dbraw/zinc/83/34/10/645833410.db2.gz GYFWSJQUZPUTKZ-UHFFFAOYSA-N 0 0 317.392 2.420 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cc(Br)c[nH]c1=O ZINC000806598618 645851684 /nfs/dbraw/zinc/85/16/84/645851684.db2.gz TVUBZXDQCZDLOX-UHFFFAOYSA-N 0 0 307.147 2.151 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[C@@H](c2ccccn2)C1 ZINC000806623474 645854789 /nfs/dbraw/zinc/85/47/89/645854789.db2.gz PGGCLHUSXXYHNR-HUUCEWRRSA-N 0 0 315.417 2.259 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](c1nnc2ccccn21)C(C)C ZINC000806926991 645891468 /nfs/dbraw/zinc/89/14/68/645891468.db2.gz ZKXQLGUBAZMULL-INIZCTEOSA-N 0 0 308.385 2.205 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000807096577 645911116 /nfs/dbraw/zinc/91/11/16/645911116.db2.gz KSBSMAIJSZVDSZ-UHFFFAOYSA-N 0 0 317.433 2.102 10 30 DEEERN C#CCC(CC#C)C(=O)N(CCOC)Cc1scnc1C ZINC000807432325 645949920 /nfs/dbraw/zinc/94/99/20/645949920.db2.gz MKTFWWDAOCVIKC-UHFFFAOYSA-N 0 0 304.415 2.089 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]([C@@H](C)O)C1 ZINC000807471135 645955853 /nfs/dbraw/zinc/95/58/53/645955853.db2.gz YPOOFTOXMNZQFH-BPQIPLTHSA-N 0 0 314.429 2.423 10 30 DEEERN CC(=Nn1cc(Br)cn1)c1cn2c(n1)CCCC2 ZINC000807978741 646014231 /nfs/dbraw/zinc/01/42/31/646014231.db2.gz BSCREAGJKFOPLB-UHFFFAOYSA-N 0 0 308.183 2.451 10 30 DEEERN C[C@@H](C(=O)[C@@H](C#N)c1nnc2n1CCCCC2)C1CCOCC1 ZINC000165671086 646504705 /nfs/dbraw/zinc/50/47/05/646504705.db2.gz CMKBCLAPMYMQLN-TZMCWYRMSA-N 0 0 316.405 2.243 10 30 DEEERN C#CCCCOC(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C ZINC000170713569 646660477 /nfs/dbraw/zinc/66/04/77/646660477.db2.gz BIUSLIHCTFZLJP-INIZCTEOSA-N 0 0 317.385 2.406 10 30 DEEERN COc1cccc(CS(=O)(=O)Oc2ccc(C#N)cc2)c1 ZINC000171280344 646693758 /nfs/dbraw/zinc/69/37/58/646693758.db2.gz SVBLKPTYJQHVCN-UHFFFAOYSA-N 0 0 303.339 2.476 10 30 DEEERN CN1C(=O)CC[C@H](C(=O)OCCCC#N)[C@H]1c1ccccc1 ZINC000171858051 646715289 /nfs/dbraw/zinc/71/52/89/646715289.db2.gz APWPGPWTEYYUBR-GOEBONIOSA-N 0 0 300.358 2.443 10 30 DEEERN C#CCSCCNC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000172364030 646733991 /nfs/dbraw/zinc/73/39/91/646733991.db2.gz NQSGRHMEDINACY-LLVKDONJSA-N 0 0 306.387 2.142 10 30 DEEERN C#CCN(CC#C)S(=O)(=O)c1ccc(OC)c2ccccc21 ZINC000173263607 646763213 /nfs/dbraw/zinc/76/32/13/646763213.db2.gz ONGFOGGHMZIXLE-UHFFFAOYSA-N 0 0 313.378 2.106 10 30 DEEERN C#CCN(CC#C)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000173261895 646763948 /nfs/dbraw/zinc/76/39/48/646763948.db2.gz DNXPAEXMPQNJLH-UHFFFAOYSA-N 0 0 315.316 2.271 10 30 DEEERN C#C[C@H](C)OC(=O)CCn1c2ccccc2n(CCC)c1=O ZINC000174453051 646810590 /nfs/dbraw/zinc/81/05/90/646810590.db2.gz VYRQMIHHVVTXID-ZDUSSCGKSA-N 0 0 300.358 2.168 10 30 DEEERN C#C[C@@H](OC(=O)[C@@H](C)CS(=O)(=O)c1ccc(F)cc1)C1CC1 ZINC000152447403 647165871 /nfs/dbraw/zinc/16/58/71/647165871.db2.gz YYTVGKQBKAPDKH-XHDPSFHLSA-N 0 0 324.373 2.191 10 30 DEEERN C#C[C@H](OC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1)C1CC1 ZINC000152540203 647211501 /nfs/dbraw/zinc/21/15/01/647211501.db2.gz SCXNMANTHWEVTN-ZOBUZTSGSA-N 0 0 315.344 2.300 10 30 DEEERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000153163196 647364332 /nfs/dbraw/zinc/36/43/32/647364332.db2.gz CLYHOGYXUQKSHX-LSDHHAIUSA-N 0 0 317.414 2.069 10 30 DEEERN C#CCOc1ccc([C@@H](C)OC(=O)CCCS(C)(=O)=O)cc1 ZINC000731292090 647465424 /nfs/dbraw/zinc/46/54/24/647465424.db2.gz HVGFNQQEHBJCQA-CYBMUJFWSA-N 0 0 324.398 2.128 10 30 DEEERN C=C(C)CCOC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000174807080 647582654 /nfs/dbraw/zinc/58/26/54/647582654.db2.gz QZGIDOKLRHASAZ-UHFFFAOYSA-N 0 0 308.378 2.093 10 30 DEEERN N#C[C@H]1CN(C(=S)Nc2ccc(Cl)nc2)CCN1C1CC1 ZINC000732626317 647633108 /nfs/dbraw/zinc/63/31/08/647633108.db2.gz WYJLTSHTZPPLHE-LBPRGKRZSA-N 0 0 321.837 2.104 10 30 DEEERN C[C@@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccc(C#N)cc1 ZINC000732675462 647640439 /nfs/dbraw/zinc/64/04/39/647640439.db2.gz YYMDUYYFZVOQNT-DYVFJYSZSA-N 0 0 323.400 2.001 10 30 DEEERN C=CCOCC(=O)OC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000733053302 647814776 /nfs/dbraw/zinc/81/47/76/647814776.db2.gz FBEAJCYHVCACGW-ZDUSSCGKSA-N 0 0 313.394 2.379 10 30 DEEERN CNC(=O)c1cncc(/C=C/C(=O)OCC2(C#N)CCCC2)c1 ZINC000183886438 649192522 /nfs/dbraw/zinc/19/25/22/649192522.db2.gz BMOHNOHVCGGWLN-SNAWJCMRSA-N 0 0 313.357 2.082 10 30 DEEERN CC(=O)Nc1cc(C(=O)OCC2(C#N)CCOCC2)ccc1C ZINC000183994969 649218941 /nfs/dbraw/zinc/21/89/41/649218941.db2.gz OVZBDCUMYGWNGG-UHFFFAOYSA-N 0 0 316.357 2.431 10 30 DEEERN C#CCN1CCN(C(=O)c2nc(C)oc2-c2ccccc2)CC1 ZINC000184488888 649286172 /nfs/dbraw/zinc/28/61/72/649286172.db2.gz FNMLJAYHQBQQFC-UHFFFAOYSA-N 0 0 309.369 2.041 10 30 DEEERN C#CCCCCCOC(=O)CCc1nc(-c2ncccn2)no1 ZINC000185335852 649499216 /nfs/dbraw/zinc/49/92/16/649499216.db2.gz VFUKJTLRTXEZTF-UHFFFAOYSA-N 0 0 314.345 2.196 10 30 DEEERN C#CCCNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000733320635 649542392 /nfs/dbraw/zinc/54/23/92/649542392.db2.gz APCUYZIRGKBIIS-UHFFFAOYSA-N 0 0 309.721 2.243 10 30 DEEERN C#CCCNS(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000733321686 649542490 /nfs/dbraw/zinc/54/24/90/649542490.db2.gz IZROLOQCIILVLS-NTMALXAHSA-N 0 0 314.204 2.363 10 30 DEEERN C#CCCNC(=O)N1CCC[C@H](C(=O)NCCCCCC)C1 ZINC000733355610 649553382 /nfs/dbraw/zinc/55/33/82/649553382.db2.gz AWIZIQHCFGZJIG-HNNXBMFYSA-N 0 0 307.438 2.128 10 30 DEEERN C#CCOc1ccccc1[C@H](C)OC(=O)CCCS(C)(=O)=O ZINC000108939714 651763021 /nfs/dbraw/zinc/76/30/21/651763021.db2.gz ZOFAYDCZMHGSMM-ZDUSSCGKSA-N 0 0 324.398 2.128 10 30 DEEERN C=CCc1ccc(OCC(=O)OCC(=O)C2CC2)c(OC)c1 ZINC000109366641 651945807 /nfs/dbraw/zinc/94/58/07/651945807.db2.gz CNKFVALIEVMNBD-UHFFFAOYSA-N 0 0 304.342 2.325 10 30 DEEERN CC(C)c1nnc2n1CCN(C(=O)NCC(C)(C)C#N)[C@@H]2C ZINC000358633929 685365153 /nfs/dbraw/zinc/36/51/53/685365153.db2.gz MEJYJHZRPVPBLC-LLVKDONJSA-N 0 0 304.398 2.037 10 30 DEEERN CN1C(=O)C[C@H](C(=O)Oc2ccc(C#N)cc2)[C@@H]1c1cccnc1 ZINC000074394987 683930991 /nfs/dbraw/zinc/93/09/91/683930991.db2.gz SUSZQESLTGFFPD-RDJZCZTQSA-N 0 0 321.336 2.078 10 30 DEEERN C#CCN(CC#C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000076185814 683940919 /nfs/dbraw/zinc/94/09/19/683940919.db2.gz IGWLURMVNRYUHF-GFCCVEGCSA-N 0 0 312.196 2.302 10 30 DEEERN CC(C)C(=O)N1CCC(C(=O)OCC#Cc2ccccc2)CC1 ZINC000079341097 683971794 /nfs/dbraw/zinc/97/17/94/683971794.db2.gz SSPVDEQCKYVYHG-UHFFFAOYSA-N 0 0 313.397 2.476 10 30 DEEERN C#CC[C@H](OC(=O)CCC(=O)N(CC)CC)c1ccccn1 ZINC000121140540 684106111 /nfs/dbraw/zinc/10/61/11/684106111.db2.gz JBPGSVIEACSYRG-HNNXBMFYSA-N 0 0 302.374 2.338 10 30 DEEERN C#CCOc1cccc(NC(=O)C(=O)N[C@H](C)C(C)(C)C)c1 ZINC000123398432 684125033 /nfs/dbraw/zinc/12/50/33/684125033.db2.gz PEAJSKJCEKUZCJ-GFCCVEGCSA-N 0 0 302.374 2.188 10 30 DEEERN C#CCSCCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000130234289 684186775 /nfs/dbraw/zinc/18/67/75/684186775.db2.gz GBAUNUUNFCYIMI-SWLSCSKDSA-N 0 0 316.426 2.377 10 30 DEEERN C#CCSCCNC(=O)c1ccccc1OCCOCC ZINC000130404787 684188536 /nfs/dbraw/zinc/18/85/36/684188536.db2.gz BLGOCSMOJRATRQ-UHFFFAOYSA-N 0 0 307.415 2.198 10 30 DEEERN C=CCC[C@H](OC(=O)CN1C(=O)NC(CC)(CC)C1=O)C1CC1 ZINC000159477624 684316057 /nfs/dbraw/zinc/31/60/57/684316057.db2.gz RKRFCQGEVRBCSG-ZDUSSCGKSA-N 0 0 322.405 2.385 10 30 DEEERN C=C[C@](C)(CCOC)COC(=O)c1sccc1-n1cnnn1 ZINC000187534049 684339866 /nfs/dbraw/zinc/33/98/66/684339866.db2.gz LARPJICOVFTMEH-CQSZACIVSA-N 0 0 322.390 2.109 10 30 DEEERN CC#CCCCC(=O)OC[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000187899386 684345290 /nfs/dbraw/zinc/34/52/90/684345290.db2.gz LLBLNJUSORPWCU-CYBMUJFWSA-N 0 0 313.353 2.408 10 30 DEEERN CC[C@@H](CC#N)OC(=O)CN1c2ccccc2SCC1=O ZINC000187933177 684345972 /nfs/dbraw/zinc/34/59/72/684345972.db2.gz VGJQVWDFIQFHKQ-NSHDSACASA-N 0 0 304.371 2.361 10 30 DEEERN C#CC[C@@H](OC(=O)c1ccn(CC(F)F)n1)c1ccccn1 ZINC000192815112 684458416 /nfs/dbraw/zinc/45/84/16/684458416.db2.gz PZDZPGFKOBQUNR-CYBMUJFWSA-N 0 0 305.284 2.465 10 30 DEEERN COC(=O)CCCCCNC(=O)c1ccccc1OCC#N ZINC000194082366 685056289 /nfs/dbraw/zinc/05/62/89/685056289.db2.gz HAUNPSNVHSFTCM-UHFFFAOYSA-N 0 0 304.346 2.052 10 30 DEEERN C=CCC1(O)CCN(S(=O)(=O)c2c(C)csc2C)CC1 ZINC000725112403 777587922 /nfs/dbraw/zinc/58/79/22/777587922.db2.gz RFONMPZZKYKRIS-UHFFFAOYSA-N 0 0 315.460 2.457 10 30 DEEERN COc1ccc(CNC(=O)c2cc(C(C)C)n(C)n2)cc1C#N ZINC000746922820 786543879 /nfs/dbraw/zinc/54/38/79/786543879.db2.gz LGKMQMPESJGNDE-UHFFFAOYSA-N 0 0 312.373 2.354 10 30 DEEERN C#CC[C@@H](COC)NC(=O)c1cc(Br)ccc1F ZINC000716867151 793018533 /nfs/dbraw/zinc/01/85/33/793018533.db2.gz PFCOXLLTAIKUNP-JTQLQIEISA-N 0 0 314.154 2.356 10 30 DEEERN C#CC[C@@H](COC)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000716890978 793022129 /nfs/dbraw/zinc/02/21/29/793022129.db2.gz ZCLSRMCZTLFJMP-VIFPVBQESA-N 0 0 322.213 2.310 10 30 DEEERN C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CCO1 ZINC000720473553 1085134405 /nfs/dbraw/zinc/13/44/05/1085134405.db2.gz GOCMOZKWORQCGS-SNVBAGLBSA-N 0 0 314.794 2.011 10 30 DEEERN CC[C@H](CSC)NS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000719971440 1089423213 /nfs/dbraw/zinc/42/32/13/1089423213.db2.gz BLBVCBQWDRHYGD-LLVKDONJSA-N 0 0 302.396 2.117 10 30 DEEERN C[C@@]1(CNS(=O)(=O)c2cc(F)cc(C#N)c2)CCCS1 ZINC000720040992 1089441843 /nfs/dbraw/zinc/44/18/43/1089441843.db2.gz ZGESXWAEWYOUBR-ZDUSSCGKSA-N 0 0 314.407 2.261 10 30 DEEERN C=CCONC(=O)c1ccccc1I ZINC000387110421 1144510169 /nfs/dbraw/zinc/51/01/69/1144510169.db2.gz LZEYHAULKCVXOS-UHFFFAOYSA-N 0 0 303.099 2.139 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(Cc2ccccc2C)C1 ZINC000612123564 361751739 /nfs/dbraw/zinc/75/17/39/361751739.db2.gz ZJHLFSHBNUHWJR-GOSISDBHSA-N 0 0 314.429 2.467 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(C)cc1OCC ZINC000612256075 361774230 /nfs/dbraw/zinc/77/42/30/361774230.db2.gz GTCOOBWJGJPJRZ-INIZCTEOSA-N 0 0 318.417 2.481 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1ccoc1 ZINC000612403428 361817015 /nfs/dbraw/zinc/81/70/15/361817015.db2.gz JAIVYDTXODGXKY-LSDHHAIUSA-N 0 0 304.390 2.189 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@@H](OC)C1(CC)CC ZINC000612526349 361852578 /nfs/dbraw/zinc/85/25/78/361852578.db2.gz MPYISKVCCBDVFI-SOUVJXGZSA-N 0 0 310.438 2.167 10 30 DEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(N)c(Br)c1 ZINC000078894573 185123907 /nfs/dbraw/zinc/12/39/07/185123907.db2.gz YZPJPKFSISKOBT-BXKDBHETSA-N 0 0 308.179 2.453 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](CCCO)c1ccccc1 ZINC000612506347 361845364 /nfs/dbraw/zinc/84/53/64/361845364.db2.gz XQOPWOYYCRXITI-IAGOWNOFSA-N 0 0 318.417 2.087 10 30 DEEERN CC[C@@H]1CCCN(S(=O)(=O)c2ccc(N)cc2C#N)CC1 ZINC000079301469 185163960 /nfs/dbraw/zinc/16/39/60/185163960.db2.gz FDYSDLGFZPJWPP-GFCCVEGCSA-N 0 0 307.419 2.341 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(OC2COC2)cc1 ZINC000278731489 214360903 /nfs/dbraw/zinc/36/09/03/214360903.db2.gz ICJGRCWXOUOAPZ-HZPDHXFCSA-N 0 0 303.358 2.384 10 30 DEEERN CCOC(=O)[C@H](N)CCSCc1ccc(OC)c(C#N)c1 ZINC000087829551 185232441 /nfs/dbraw/zinc/23/24/41/185232441.db2.gz MXHIGTRBXVSTDG-CYBMUJFWSA-N 0 0 308.403 2.081 10 30 DEEERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cccc(C#N)c1 ZINC000088335865 185246330 /nfs/dbraw/zinc/24/63/30/185246330.db2.gz NBGZITUCIOQAKD-CYBMUJFWSA-N 0 0 310.361 2.369 10 30 DEEERN CC[C@@H](C#N)S(=O)(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000088474460 185252347 /nfs/dbraw/zinc/25/23/47/185252347.db2.gz QOYVDKGRDXHBPJ-HNNXBMFYSA-N 0 0 308.403 2.204 10 30 DEEERN Cc1c(C#CCO)cccc1C(=O)N[C@@H](C)c1nccs1 ZINC000088443551 185250979 /nfs/dbraw/zinc/25/09/79/185250979.db2.gz PBLSGMJCAIRPII-LBPRGKRZSA-N 0 0 300.383 2.286 10 30 DEEERN Cc1nnc2sc(C(=O)N(C)C[C@@H](C)C#N)c(N)c2c1C ZINC000088642113 185260916 /nfs/dbraw/zinc/26/09/16/185260916.db2.gz WVZRDUPMLOAVCR-ZETCQYMHSA-N 0 0 303.391 2.122 10 30 DEEERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[C@@H]2C#N)C1 ZINC000408330789 529633047 /nfs/dbraw/zinc/63/30/47/529633047.db2.gz ODEYJLSEPQGUJU-XGUBFFRZSA-N 0 0 305.422 2.080 10 30 DEEERN C=CCN(CC=C)S(=O)(=O)c1ccc(Cl)c(CO)c1 ZINC000088873499 185267608 /nfs/dbraw/zinc/26/76/08/185267608.db2.gz BFJKXGIWFYEDSZ-UHFFFAOYSA-N 0 0 301.795 2.195 10 30 DEEERN CCc1cnc(CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)o1 ZINC000330003915 529637542 /nfs/dbraw/zinc/63/75/42/529637542.db2.gz CEIOMTGLGSPFAD-BXUZGUMPSA-N 0 0 304.350 2.205 10 30 DEEERN N#Cc1ccc(CNC(=O)NCCOCC2CCC2)c(F)c1 ZINC000613218540 362045991 /nfs/dbraw/zinc/04/59/91/362045991.db2.gz VTBZYIGQNJDVRF-UHFFFAOYSA-N 0 0 305.353 2.313 10 30 DEEERN C=CCN(C(=O)CN1CC[C@@H](c2ccccc2)NC1=O)C1CC1 ZINC000613238696 362053115 /nfs/dbraw/zinc/05/31/15/362053115.db2.gz CEDYBYRLCSTXJX-INIZCTEOSA-N 0 0 313.401 2.320 10 30 DEEERN C=CCOCCNC(=O)c1ccc2[nH]c(=O)n(C3CC3)c2c1 ZINC000613362633 362091741 /nfs/dbraw/zinc/09/17/41/362091741.db2.gz GFTVTAVBJOEHCI-UHFFFAOYSA-N 0 0 301.346 2.009 10 30 DEEERN N#Cc1ccc(Cl)cc1NC(=O)c1cc2n(n1)CCCO2 ZINC000090626641 185307485 /nfs/dbraw/zinc/30/74/85/185307485.db2.gz BDZQESIAQVVADX-UHFFFAOYSA-N 0 0 302.721 2.443 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C[C@H](C)c1nccs1 ZINC000613468696 362121927 /nfs/dbraw/zinc/12/19/27/362121927.db2.gz VKCKGKLAXWVWPA-AAEUAGOBSA-N 0 0 309.435 2.176 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)[C@@H]1CCCOC1 ZINC000184012268 282245099 /nfs/dbraw/zinc/24/50/99/282245099.db2.gz IDYRELAEFJFPBX-OAHLLOKOSA-N 0 0 310.357 2.121 10 30 DEEERN CC(C)COCCNC(=O)c1ccc(C#CCO)c(Cl)c1 ZINC000167538545 197710495 /nfs/dbraw/zinc/71/04/95/197710495.db2.gz BKGLSBZSNBHOLT-UHFFFAOYSA-N 0 0 309.793 2.086 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 ZINC000625350807 365742469 /nfs/dbraw/zinc/74/24/69/365742469.db2.gz RFKCLPAVUHGYBR-LBPRGKRZSA-N 0 0 318.398 2.115 10 30 DEEERN CCC1CCC(C#N)(NS(=O)(=O)c2cn(CC)cn2)CC1 ZINC000092910099 185348507 /nfs/dbraw/zinc/34/85/07/185348507.db2.gz ROJPFYVTKIUQJI-UHFFFAOYSA-N 0 0 310.423 2.044 10 30 DEEERN CCc1nc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)sc1C ZINC000377923981 529743318 /nfs/dbraw/zinc/74/33/18/529743318.db2.gz YYZQJMNWWURBLC-GFCCVEGCSA-N 0 0 319.434 2.218 10 30 DEEERN N#Cc1c(Br)cccc1Sc1nc(N)cc(N)n1 ZINC000169001993 197732105 /nfs/dbraw/zinc/73/21/05/197732105.db2.gz KBVBPJHPNRPWRS-UHFFFAOYSA-N 0 0 322.191 2.426 10 30 DEEERN CN1CCc2ccc(NC(=O)N[C@@H]3CCC[C@@H]3C#N)cc2C1=O ZINC000408234571 529813456 /nfs/dbraw/zinc/81/34/56/529813456.db2.gz FTTVDQJZEGNJFY-IUODEOHRSA-N 0 0 312.373 2.128 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)C(C)(C)CC(F)(F)F)C1=O ZINC000614393503 362370071 /nfs/dbraw/zinc/37/00/71/362370071.db2.gz FVMZHEKROYLNAS-JTQLQIEISA-N 0 0 306.328 2.210 10 30 DEEERN CCOC(=O)c1cnc(NCc2ccc(C#N)cc2F)cn1 ZINC000614505631 362397308 /nfs/dbraw/zinc/39/73/08/362397308.db2.gz UTSSOGBFYHAJHB-UHFFFAOYSA-N 0 0 300.293 2.276 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(C)(C)n1cccn1 ZINC000614721979 362445625 /nfs/dbraw/zinc/44/56/25/362445625.db2.gz OEZAFGMQFNRPMI-UHFFFAOYSA-N 0 0 317.389 2.308 10 30 DEEERN N#C[C@]1(F)CCN(C(=O)NC2CCN(c3ccccc3)CC2)C1 ZINC000615578640 362644575 /nfs/dbraw/zinc/64/45/75/362644575.db2.gz FZZFBEBLNWMLKX-QGZVFWFLSA-N 0 0 316.380 2.303 10 30 DEEERN Cc1ccc2[nH]c(CNC(=O)N3CC[C@@](F)(C#N)C3)nc2c1 ZINC000615541213 362634945 /nfs/dbraw/zinc/63/49/45/362634945.db2.gz LYQBWDPYBCPPON-OAHLLOKOSA-N 0 0 301.325 2.019 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCCc2ccccc2CC1 ZINC000615956676 362738189 /nfs/dbraw/zinc/73/81/89/362738189.db2.gz DYGJUEDXQZRGMM-GOSISDBHSA-N 0 0 314.429 2.475 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(CCOC)[C@@H]1CC[C@H](C)C1 ZINC000625589474 365844080 /nfs/dbraw/zinc/84/40/80/365844080.db2.gz LAZMVHHERIWLFP-LSDHHAIUSA-N 0 0 324.465 2.369 10 30 DEEERN C=CCNC(=O)N[C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000069718357 190808400 /nfs/dbraw/zinc/80/84/00/190808400.db2.gz XXZWGIKLXCZSDR-GFCCVEGCSA-N 0 0 301.350 2.314 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)COCc1nccn1C ZINC000616302659 362821045 /nfs/dbraw/zinc/82/10/45/362821045.db2.gz HXRQRZCAAVTRDM-INIZCTEOSA-N 0 0 313.401 2.240 10 30 DEEERN C=CCCCN(C)C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000272639857 210042342 /nfs/dbraw/zinc/04/23/42/210042342.db2.gz LLSKWZWAPPLMJU-ZIAGYGMSSA-N 0 0 320.414 2.115 10 30 DEEERN C=CCCC1(CNC(=O)C(=O)N(C)CC2(C)COC2)CCCC1 ZINC000625721830 365881396 /nfs/dbraw/zinc/88/13/96/365881396.db2.gz PTASATOYJFGQIP-UHFFFAOYSA-N 0 0 322.449 2.124 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]1c1ccc(C)cc1 ZINC000616466614 362866524 /nfs/dbraw/zinc/86/65/24/362866524.db2.gz LYHHCGNDSXTENW-BBWFWOEESA-N 0 0 300.402 2.438 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@H](C)OC2(CCCCC2)C1 ZINC000616720477 362920520 /nfs/dbraw/zinc/92/05/20/362920520.db2.gz NEOTWLFAOPALHB-GOEBONIOSA-N 0 0 322.449 2.408 10 30 DEEERN C=CCCC[C@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)CCC ZINC000182617963 539657037 /nfs/dbraw/zinc/65/70/37/539657037.db2.gz JZRHJQJXIUKXFY-KBPBESRZSA-N 0 0 316.467 2.052 10 30 DEEERN COCCC[S@@](=O)CCCC(=O)Nc1ccccc1C#N ZINC000084256984 192417846 /nfs/dbraw/zinc/41/78/46/192417846.db2.gz DTGKFDXMMPLQBX-OAQYLSRUSA-N 0 0 308.403 2.062 10 30 DEEERN COC(=O)[C@H](C)N1C(=O)c2ccc(C(F)(F)F)cc2C1C#N ZINC000071680958 191007629 /nfs/dbraw/zinc/00/76/29/191007629.db2.gz ICYNSDLFQIAYEE-WRWORJQWSA-N 0 0 312.247 2.287 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NN1[C@H](C)CCC[C@@H]1C ZINC000147791650 186041883 /nfs/dbraw/zinc/04/18/83/186041883.db2.gz UUHGJQRJEXJIRH-BETUJISGSA-N 0 0 307.419 2.323 10 30 DEEERN Cc1ccc(C(=O)NCc2sccc2C#CCO)c(O)c1 ZINC000148553185 186044971 /nfs/dbraw/zinc/04/49/71/186044971.db2.gz DRDZTAPGVMGDIJ-UHFFFAOYSA-N 0 0 301.367 2.036 10 30 DEEERN O=C(CCC(F)(F)F)NCc1sccc1C#CCCO ZINC000148622342 186045013 /nfs/dbraw/zinc/04/50/13/186045013.db2.gz JHKSTZQXENMAAO-UHFFFAOYSA-N 0 0 305.321 2.441 10 30 DEEERN CC[C@H](C#N)N1CCN(c2cc(Cl)nnc2Cl)CC1 ZINC000149192954 186048156 /nfs/dbraw/zinc/04/81/56/186048156.db2.gz IUPTUCFKIVTQRU-SECBINFHSA-N 0 0 300.193 2.208 10 30 DEEERN O=C(Cc1ccc(F)cc1)NCc1sccc1C#CCO ZINC000148546604 186045182 /nfs/dbraw/zinc/04/51/82/186045182.db2.gz VXCUUZDUTFTTAK-UHFFFAOYSA-N 0 0 303.358 2.090 10 30 DEEERN C=C(C)COCCNC(=O)c1ccc(Br)cc1N ZINC000163873430 186140820 /nfs/dbraw/zinc/14/08/20/186140820.db2.gz PIIFUXRSBODMEO-UHFFFAOYSA-N 0 0 313.195 2.354 10 30 DEEERN COc1ccsc1C(=O)Nc1ccc(F)c(C#CCO)c1 ZINC000164314977 186155812 /nfs/dbraw/zinc/15/58/12/186155812.db2.gz OFHCSBHEXZQYEH-UHFFFAOYSA-N 0 0 305.330 2.492 10 30 DEEERN CC1(C)CCC(NC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000175645636 186184322 /nfs/dbraw/zinc/18/43/22/186184322.db2.gz QBEVXTCASKDEJF-UHFFFAOYSA-N 0 0 313.401 2.373 10 30 DEEERN C#C[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000186007546 186231061 /nfs/dbraw/zinc/23/10/61/186231061.db2.gz CLJFCDDPHQUYGM-GDBMZVCRSA-N 0 0 314.385 2.173 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC000617039425 363006750 /nfs/dbraw/zinc/00/67/50/363006750.db2.gz HDCGRODUZAXGFQ-RBSFLKMASA-N 0 0 302.422 2.400 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000617042072 363008108 /nfs/dbraw/zinc/00/81/08/363008108.db2.gz MYUARZNIWTVBDC-YPMHNXCESA-N 0 0 315.373 2.277 10 30 DEEERN CN1C(=O)CC[C@@H](C(=O)NCCCCC#N)[C@@H]1c1ccccc1 ZINC000171996843 198022389 /nfs/dbraw/zinc/02/23/89/198022389.db2.gz CRFCZIHRZQPYEG-WBVHZDCISA-N 0 0 313.401 2.406 10 30 DEEERN CN1C(=O)CC[C@@H](C(=O)NCCCCC#N)[C@H]1c1ccccc1 ZINC000171996841 198022440 /nfs/dbraw/zinc/02/24/40/198022440.db2.gz CRFCZIHRZQPYEG-NVXWUHKLSA-N 0 0 313.401 2.406 10 30 DEEERN C=CCNC(=O)[C@H](C)N(C)Cc1csc([C@H](C)OCC)n1 ZINC000072762694 191227281 /nfs/dbraw/zinc/22/72/81/191227281.db2.gz KCCHBWVYMPODFA-RYUDHWBXSA-N 0 0 311.451 2.363 10 30 DEEERN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC2CCC2)CC1 ZINC000328663656 539909604 /nfs/dbraw/zinc/90/96/04/539909604.db2.gz YCHSJVUIZBARKK-CYBMUJFWSA-N 0 0 322.453 2.358 10 30 DEEERN CSc1cc(CNC(=O)N2CC3(C2)CCCOC3)ccn1 ZINC000329388003 539919458 /nfs/dbraw/zinc/91/94/58/539919458.db2.gz REDQRZVLSDNYRE-UHFFFAOYSA-N 0 0 307.419 2.330 10 30 DEEERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000328923010 539912749 /nfs/dbraw/zinc/91/27/49/539912749.db2.gz MVTTUJIMUQKZEW-AVGNSLFASA-N 0 0 320.437 2.176 10 30 DEEERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1ccc2ccoc2c1 ZINC000329496222 539921620 /nfs/dbraw/zinc/92/16/20/539921620.db2.gz DQZFCMUPQILGOX-JOYOIKCWSA-N 0 0 308.359 2.001 10 30 DEEERN N#CC1(c2nc([C@@H]3CN4CCCC[C@H]4CO3)no2)CCCC1 ZINC000329707665 539927042 /nfs/dbraw/zinc/92/70/42/539927042.db2.gz KQRIYKCLJLZQIA-STQMWFEESA-N 0 0 302.378 2.331 10 30 DEEERN C=CCN(C(=O)c1cccc(C(=O)NC2CC2)c1)[C@@H](C)COC ZINC000617582370 363196033 /nfs/dbraw/zinc/19/60/33/363196033.db2.gz LVLKGXAFDQEZIM-ZDUSSCGKSA-N 0 0 316.401 2.242 10 30 DEEERN C[C@@H](NCc1ccc(C#N)o1)c1ccc(S(C)(=O)=O)cc1 ZINC000174250700 198311290 /nfs/dbraw/zinc/31/12/90/198311290.db2.gz CSXLXRZYLGOZLN-LLVKDONJSA-N 0 0 304.371 2.406 10 30 DEEERN C[C@H]1C(=O)N(Cc2ccc(C#N)cc2F)C(=O)N1C1CCC1 ZINC000617675032 363221015 /nfs/dbraw/zinc/22/10/15/363221015.db2.gz IVOXWGQAEFLJND-JTQLQIEISA-N 0 0 301.321 2.403 10 30 DEEERN Cc1nc(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)ccc1C#N ZINC000174952279 198406969 /nfs/dbraw/zinc/40/69/69/198406969.db2.gz VJRAIOWDTLASBP-CYBMUJFWSA-N 0 0 315.373 2.066 10 30 DEEERN N#Cc1ccc([C@@H]([C@H](O)Cc2ccc(F)cc2)n2cncn2)cc1 ZINC000003604395 181039417 /nfs/dbraw/zinc/03/94/17/181039417.db2.gz SLJZVZKQYSKYNV-MSOLQXFVSA-N 0 0 322.343 2.482 10 30 in-man DEEERN O=C(CCCC1CCN(C(=O)Nc2cccnc2)CC1)NO ZINC000036475792 354165322 /nfs/dbraw/zinc/16/53/22/354165322.db2.gz BEOVAEFIYMOMRV-UHFFFAOYSA-N 0 0 306.366 2.001 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(C)n(C[C@H]2CCCOC2)c1C ZINC000626448510 366189804 /nfs/dbraw/zinc/18/98/04/366189804.db2.gz BYEOCOJPCPMXKB-HZPDHXFCSA-N 0 0 320.433 2.198 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(-c2cccc(OC)c2)no1 ZINC000626448847 366191123 /nfs/dbraw/zinc/19/11/23/366191123.db2.gz NPMHZUSCMPLMTG-GFCCVEGCSA-N 0 0 302.330 2.017 10 30 DEEERN C=CCC1(NC(=O)c2ccc(N3CCC3)nc2)CCOCC1 ZINC000618251410 363432190 /nfs/dbraw/zinc/43/21/90/363432190.db2.gz ILLGFAQAVDLGEQ-UHFFFAOYSA-N 0 0 301.390 2.147 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cccc(-n3cccc3)c2)CCN1C1CC1 ZINC000370974238 283068790 /nfs/dbraw/zinc/06/87/90/283068790.db2.gz SKCWRRDYEAPUHR-SFHVURJKSA-N 0 0 320.396 2.290 10 30 DEEERN C=CCN(C(=O)Cc1ccon1)c1nc(C(=O)OCC)cs1 ZINC000074806259 355051740 /nfs/dbraw/zinc/05/17/40/355051740.db2.gz ZDXYVSYQQSHFTN-UHFFFAOYSA-N 0 0 321.358 2.070 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000076492679 355151897 /nfs/dbraw/zinc/15/18/97/355151897.db2.gz ZJSORRSPNSDXEL-GFCCVEGCSA-N 0 0 300.358 2.096 10 30 DEEERN C=CCCCN(C)C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000076487562 355152120 /nfs/dbraw/zinc/15/21/20/355152120.db2.gz BDJBHPRHECSTJI-UHFFFAOYSA-N 0 0 312.373 2.009 10 30 DEEERN N#Cc1cccc(C(=O)N2CCN3c4ccccc4C[C@@H]3C2)c1 ZINC000074775589 191358680 /nfs/dbraw/zinc/35/86/80/191358680.db2.gz PBFDYJVYGYUJRO-QGZVFWFLSA-N 0 0 303.365 2.445 10 30 DEEERN N#Cc1cccc(CNC(=O)[C@@H]2CCCN2c2nccs2)c1 ZINC000075561394 191492461 /nfs/dbraw/zinc/49/24/61/191492461.db2.gz JGQLPKMPSRZESN-AWEZNQCLSA-N 0 0 312.398 2.300 10 30 DEEERN COc1cccc(CNC(=O)N(C)Cc2cccc(C#N)c2)n1 ZINC000129292183 355833634 /nfs/dbraw/zinc/83/36/34/355833634.db2.gz PCBIFCTWYMNCNY-UHFFFAOYSA-N 0 0 310.357 2.303 10 30 DEEERN C=CCSCCNC(=O)NCCCc1c(C)nn(C)c1C ZINC000180885618 356064708 /nfs/dbraw/zinc/06/47/08/356064708.db2.gz XNMRDFYJYRBLIO-UHFFFAOYSA-N 0 0 310.467 2.188 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cn(C)cn1 ZINC000179177203 356015853 /nfs/dbraw/zinc/01/58/53/356015853.db2.gz PDPQUZJTDVUFJO-UHFFFAOYSA-N 0 0 300.318 2.157 10 30 DEEERN N#CC1(c2ccc(C(=O)N[C@H]3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000181535087 356084668 /nfs/dbraw/zinc/08/46/68/356084668.db2.gz CMKHFWGHKRRQQL-HIFRSBDPSA-N 0 0 311.385 2.016 10 30 DEEERN COC(=O)CN(CC#N)C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000183160622 356161366 /nfs/dbraw/zinc/16/13/66/356161366.db2.gz OHXNJCODYLGJPJ-UHFFFAOYSA-N 0 0 320.311 2.270 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccccc1CN(CC)C(C)=O ZINC000183712307 356179657 /nfs/dbraw/zinc/17/96/57/356179657.db2.gz JDSRZIUEMAFKQU-OAHLLOKOSA-N 0 0 319.405 2.114 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccc(Cl)cc1OCC ZINC000183784803 356180466 /nfs/dbraw/zinc/18/04/66/356180466.db2.gz XNAQHNJHQUJXJV-ZDUSSCGKSA-N 0 0 312.797 2.475 10 30 DEEERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C#N)cn1C ZINC000080943327 192204389 /nfs/dbraw/zinc/20/43/89/192204389.db2.gz BXRLFAXVRDKSQV-UHFFFAOYSA-N 0 0 300.274 2.066 10 30 DEEERN N#Cc1c(I)cncc1OC(F)(F)F ZINC000238543958 356304352 /nfs/dbraw/zinc/30/43/52/356304352.db2.gz WMLXUQALGJXGNI-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN N#Cc1cc(I)c(OC(F)(F)F)cn1 ZINC000238540240 356304463 /nfs/dbraw/zinc/30/44/63/356304463.db2.gz YVNYWVFOBLOARC-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN N#Cc1ccc(Br)cc1N1CCC2(C1)OCCO2 ZINC000306591866 356404996 /nfs/dbraw/zinc/40/49/96/356404996.db2.gz VXQDJQUCOVHFAH-UHFFFAOYSA-N 0 0 309.163 2.274 10 30 DEEERN CN(C[C@H]1CCn2ccnc2C1)C(=O)Nc1ccc(F)cn1 ZINC000328640086 356465719 /nfs/dbraw/zinc/46/57/19/356465719.db2.gz XDDCLBUQHRFQTM-NSHDSACASA-N 0 0 303.341 2.157 10 30 DEEERN C=CCNC(=O)Cc1noc(-c2cc3c(cc2O)CCCC3)n1 ZINC000350726536 356562307 /nfs/dbraw/zinc/56/23/07/356562307.db2.gz KZAYBVPPKFMVFD-UHFFFAOYSA-N 0 0 313.357 2.166 10 30 DEEERN C=CCOCCCNC(=O)c1cccnc1OCC(F)(F)F ZINC000618515641 363512842 /nfs/dbraw/zinc/51/28/42/363512842.db2.gz YGEFECIXNUDZQW-UHFFFAOYSA-N 0 0 318.295 2.345 10 30 DEEERN C=CCOCCCNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000618523575 363515537 /nfs/dbraw/zinc/51/55/37/363515537.db2.gz KQBZWHGDGSSWPE-CABCVRRESA-N 0 0 317.385 2.270 10 30 DEEERN C=CCNC(=O)Cc1noc([C@@H]2C[C@@]2(F)c2ccccc2)n1 ZINC000351201382 356630170 /nfs/dbraw/zinc/63/01/70/356630170.db2.gz CCLFGDKFQHDHAD-BLLLJJGKSA-N 0 0 301.321 2.267 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000578187069 356774187 /nfs/dbraw/zinc/77/41/87/356774187.db2.gz NAIGPPZYDIDFDI-INWMFGNUSA-N 0 0 300.358 2.033 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC000578642253 356849957 /nfs/dbraw/zinc/84/99/57/356849957.db2.gz YDQKJSJODFTTIN-BLLLJJGKSA-N 0 0 314.389 2.126 10 30 DEEERN C=C(C)[C@H](CC(=O)N1Cc2ccccc2NC(=O)C1)OCC ZINC000579241731 356945438 /nfs/dbraw/zinc/94/54/38/356945438.db2.gz IGSXQIXSQJOBRO-HNNXBMFYSA-N 0 0 302.374 2.339 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000579585071 356997999 /nfs/dbraw/zinc/99/79/99/356997999.db2.gz CSJZSDVQMVFWMD-ZOBUZTSGSA-N 0 0 308.422 2.180 10 30 DEEERN C=C(C)CS(=O)(=O)N1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000579832355 357039397 /nfs/dbraw/zinc/03/93/97/357039397.db2.gz YGRDDUQNVIVOFP-STQMWFEESA-N 0 0 317.451 2.192 10 30 DEEERN C=CCn1nnnc1SCC/C=C/c1cncc(OC)c1 ZINC000579956876 357058783 /nfs/dbraw/zinc/05/87/83/357058783.db2.gz UMYFHLKTUXCZMP-GQCTYLIASA-N 0 0 303.391 2.458 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc2ncsc2c1 ZINC000580888728 357097128 /nfs/dbraw/zinc/09/71/28/357097128.db2.gz WJUZHCCXTDGSNC-GWCFXTLKSA-N 0 0 324.427 2.166 10 30 DEEERN C=CCn1c(N2CCO[C@H](CCC)C2)nnc1[C@@]1(C)CCCO1 ZINC000581054060 357122393 /nfs/dbraw/zinc/12/23/93/357122393.db2.gz HCXUVKYJSGQDNB-RHSMWYFYSA-N 0 0 320.437 2.495 10 30 DEEERN C=CCN(CCOC)c1nnc([C@H]2Cc3ccccc3O2)n1C ZINC000581100915 357129624 /nfs/dbraw/zinc/12/96/24/357129624.db2.gz ZBIKGISPHSRAJS-OAHLLOKOSA-N 0 0 314.389 2.130 10 30 DEEERN C[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000585711240 357347944 /nfs/dbraw/zinc/34/79/44/357347944.db2.gz RTOLEFDNCYBSGV-SMDDNHRTSA-N 0 0 317.364 2.008 10 30 DEEERN CC[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586863296 357377600 /nfs/dbraw/zinc/37/76/00/357377600.db2.gz KEMFVUCDBIOMSP-AWEZNQCLSA-N 0 0 317.364 2.105 10 30 DEEERN CCc1cnc(N2CCN(c3nc(C)cc(C#N)n3)CC2)s1 ZINC000587986640 357385069 /nfs/dbraw/zinc/38/50/69/357385069.db2.gz DXOBNMXGVAXCCW-UHFFFAOYSA-N 0 0 314.418 2.002 10 30 DEEERN C=CCn1c([C@H]2CCCOC2)nnc1N(CCC#N)CC1CC1 ZINC000591613264 357742650 /nfs/dbraw/zinc/74/26/50/357742650.db2.gz MCPCAIFQQWUYBR-HNNXBMFYSA-N 0 0 315.421 2.488 10 30 DEEERN CN(C)C(=O)C[C@@]1(O)CCCN(c2cccc(Cl)c2C#N)C1 ZINC000591618429 357744257 /nfs/dbraw/zinc/74/42/57/357744257.db2.gz QLZXCERIEKGYRH-INIZCTEOSA-N 0 0 321.808 2.021 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000592014209 357815779 /nfs/dbraw/zinc/81/57/79/357815779.db2.gz XRGNARUPRXAMPU-RQJABVFESA-N 0 0 324.421 2.140 10 30 DEEERN C=CCC1(C(=O)NC[C@@H](C)C(=O)OC(C)(C)C)CCOCC1 ZINC000594111503 358207851 /nfs/dbraw/zinc/20/78/51/358207851.db2.gz KKPHVNQQBZWKFT-CYBMUJFWSA-N 0 0 311.422 2.453 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)N(CC)C[C@@H](C)C#N ZINC000594788387 358337704 /nfs/dbraw/zinc/33/77/04/358337704.db2.gz BEOBSODNUNTQJB-RRFJBIMHSA-N 0 0 313.467 2.437 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN2CC3CC2(C(=O)OC)C3)c1C ZINC000595677754 358519499 /nfs/dbraw/zinc/51/94/99/358519499.db2.gz LOQDWYLASCJLQX-UHFFFAOYSA-N 0 0 316.401 2.111 10 30 DEEERN C=CCOCCCNC(=O)N[C@H]1CCC[C@@]1(C)C(=O)OCC ZINC000595767602 358544597 /nfs/dbraw/zinc/54/45/97/358544597.db2.gz QDOQGYRQGADMEL-XJKSGUPXSA-N 0 0 312.410 2.000 10 30 DEEERN C=CCC[C@H]1NC(=O)N(CC2(C(=O)OC(C)(C)C)CCC2)C1=O ZINC000596053726 358598948 /nfs/dbraw/zinc/59/89/48/358598948.db2.gz PXKKPDMDLZZTAI-GFCCVEGCSA-N 0 0 322.405 2.385 10 30 DEEERN CCS(=O)(=O)C1(CNc2c(F)cc(C#N)cc2F)CC1 ZINC000596521218 358705826 /nfs/dbraw/zinc/70/58/26/358705826.db2.gz NASOJQRDEDUQNE-UHFFFAOYSA-N 0 0 300.330 2.216 10 30 DEEERN C=CCCC(C)(C)NC(=O)Nc1ncc(C(=O)OCC)n1C ZINC000596905138 358785610 /nfs/dbraw/zinc/78/56/10/358785610.db2.gz QKOSAIAEDZGPAT-UHFFFAOYSA-N 0 0 308.382 2.463 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000597473986 358927943 /nfs/dbraw/zinc/92/79/43/358927943.db2.gz ITBHNOYSWKPHIH-RISCZKNCSA-N 0 0 319.361 2.243 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@H](C)Oc1ccc(CCC(C)=O)cc1 ZINC000185702124 199878925 /nfs/dbraw/zinc/87/89/25/199878925.db2.gz MNLHIGLRKCHURF-HOCLYGCPSA-N 0 0 319.401 2.029 10 30 DEEERN C=CCCSCCNC(=O)c1cnc2c(C)cccn2c1=O ZINC000597968616 359054251 /nfs/dbraw/zinc/05/42/51/359054251.db2.gz KKFCKYUAJVLORS-UHFFFAOYSA-N 0 0 317.414 2.042 10 30 DEEERN C=CCCSCCNC(=O)Cn1ccc(=O)c2ccccc21 ZINC000597972862 359056296 /nfs/dbraw/zinc/05/62/96/359056296.db2.gz WGGHORZVJFJLAM-UHFFFAOYSA-N 0 0 316.426 2.427 10 30 DEEERN C=CC(C)(C)CCNc1cc(C)nc2nc(C(=O)OC)nn21 ZINC000599117226 359406719 /nfs/dbraw/zinc/40/67/19/359406719.db2.gz PLGRYWOXINNIDY-UHFFFAOYSA-N 0 0 303.366 2.234 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000599361929 359477218 /nfs/dbraw/zinc/47/72/18/359477218.db2.gz ZCSMFEMDGJTYMI-UHFFFAOYSA-N 0 0 323.374 2.347 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000599375276 359482827 /nfs/dbraw/zinc/48/28/27/359482827.db2.gz QFSUWSGNGVPUSS-LLVKDONJSA-N 0 0 321.358 2.053 10 30 DEEERN C=CCOC[C@@H](NC(=O)C1(C)CCC(F)(F)CC1)C(=O)OC ZINC000599873141 359615372 /nfs/dbraw/zinc/61/53/72/359615372.db2.gz FVUNSOOPCRYXIA-LLVKDONJSA-N 0 0 319.348 2.062 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2cccc(CC(=O)OC)n2)C1 ZINC000599790921 359598563 /nfs/dbraw/zinc/59/85/63/359598563.db2.gz MXZZQDMHDZEQML-GFCCVEGCSA-N 0 0 303.362 2.227 10 30 DEEERN C=CCOCCCC(=O)N1CCc2occc2[C@H]1C(=O)OCC ZINC000600246861 359702411 /nfs/dbraw/zinc/70/24/11/359702411.db2.gz RKQFWRYYVRQKFN-INIZCTEOSA-N 0 0 321.373 2.251 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc2c1OCO2 ZINC000627686518 366591384 /nfs/dbraw/zinc/59/13/84/366591384.db2.gz OUMKZPRRUAWYHH-UHFFFAOYSA-N 0 0 304.346 2.072 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cccnc1OCC ZINC000627688330 366592672 /nfs/dbraw/zinc/59/26/72/366592672.db2.gz ZKTNXFWXQIWSBH-UHFFFAOYSA-N 0 0 305.378 2.137 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1 ZINC000600983713 359883839 /nfs/dbraw/zinc/88/38/39/359883839.db2.gz NIWWZTVKZJBVPR-MRVWCRGKSA-N 0 0 323.414 2.229 10 30 DEEERN C=CCCC(C)(C)CN1C(=O)[C@H]2CC[C@H](C(=O)OC)CN2C1=O ZINC000601071975 359912776 /nfs/dbraw/zinc/91/27/76/359912776.db2.gz YFPICUNELPICQN-QWHCGFSZSA-N 0 0 322.405 2.195 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCOC3)C1 ZINC000627733486 366603593 /nfs/dbraw/zinc/60/35/93/366603593.db2.gz VYYLVEICCXUIJQ-ZDUSSCGKSA-N 0 0 314.385 2.122 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ncc(Cl)cc2C)C1 ZINC000627733405 366603721 /nfs/dbraw/zinc/60/37/21/366603721.db2.gz UGKOBWCDHONYEG-LLVKDONJSA-N 0 0 307.781 2.407 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000627736001 366604335 /nfs/dbraw/zinc/60/43/35/366604335.db2.gz JWGIQMVZRDFABD-CYBMUJFWSA-N 0 0 302.374 2.448 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC)c(F)c2)C1 ZINC000627736210 366604504 /nfs/dbraw/zinc/60/45/04/366604504.db2.gz QDHFCGFADKEXJR-NSHDSACASA-N 0 0 306.337 2.197 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)Oc3ccccc32)C1 ZINC000627734861 366604963 /nfs/dbraw/zinc/60/49/63/366604963.db2.gz FEKZBKWPHKXPNE-ZIAGYGMSSA-N 0 0 314.385 2.225 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cccc(NC(C)=O)c2)C1 ZINC000627735966 366604975 /nfs/dbraw/zinc/60/49/75/366604975.db2.gz IHFPDIXMIUAAKL-ZDUSSCGKSA-N 0 0 315.373 2.008 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)C1 ZINC000627734992 366604992 /nfs/dbraw/zinc/60/49/92/366604992.db2.gz IQFOATLRYCNRMP-LBPRGKRZSA-N 0 0 316.405 2.137 10 30 DEEERN C=C(C)C[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)OC ZINC000601503169 360056568 /nfs/dbraw/zinc/05/65/68/360056568.db2.gz ZAKSFVUEPIPJLG-NSHDSACASA-N 0 0 317.794 2.126 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCOc1cccc(C)c1)C(=O)OC ZINC000601770795 360140452 /nfs/dbraw/zinc/14/04/52/360140452.db2.gz FLLHLZIZGXYQHR-HNNXBMFYSA-N 0 0 305.374 2.388 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(OC)c(C)c(OC)c1)C(=O)OC ZINC000601773276 360141525 /nfs/dbraw/zinc/14/15/25/360141525.db2.gz SKDYZLXJSCPGTB-ZDUSSCGKSA-N 0 0 321.373 2.250 10 30 DEEERN C=C(C)C[C@H](NC(=O)COc1cccc(Cl)c1)C(=O)OC ZINC000601772246 360141538 /nfs/dbraw/zinc/14/15/38/360141538.db2.gz OFRNAECFIMXHCN-ZDUSSCGKSA-N 0 0 311.765 2.343 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cc1ccc2c(c1)CCC2)C(=O)OC ZINC000601772732 360141988 /nfs/dbraw/zinc/14/19/88/360141988.db2.gz PYTRHEDUROGWMN-INIZCTEOSA-N 0 0 301.386 2.342 10 30 DEEERN C=C(C)C[C@@H](NC(=O)C1=Cc2ccccc2OC1)C(=O)OC ZINC000601780464 360144706 /nfs/dbraw/zinc/14/47/06/360144706.db2.gz YMUDUYONUPUZRI-CQSZACIVSA-N 0 0 301.342 2.086 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1c[nH]c(C(F)(F)F)c1)C(=O)OC ZINC000601781764 360145484 /nfs/dbraw/zinc/14/54/84/360145484.db2.gz LKMVOBRVTSOMBX-VIFPVBQESA-N 0 0 304.268 2.271 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cc1c(C)nn(C(C)C)c1C)C(=O)OC ZINC000601782003 360146749 /nfs/dbraw/zinc/14/67/49/360146749.db2.gz NECQQERYHNUEEA-OAHLLOKOSA-N 0 0 321.421 2.247 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(-c2cc[nH]n2)s1)C(=O)OC ZINC000601781976 360146754 /nfs/dbraw/zinc/14/67/54/360146754.db2.gz NBJMZNKUPOZYDB-LLVKDONJSA-N 0 0 319.386 2.376 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCOCc1ccccc1)C(=O)OC ZINC000601785700 360148488 /nfs/dbraw/zinc/14/84/88/360148488.db2.gz NSINJHSIPZZFJL-HNNXBMFYSA-N 0 0 305.374 2.217 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccnc(SCC)c1)C(=O)OC ZINC000601784898 360148578 /nfs/dbraw/zinc/14/85/78/360148578.db2.gz IIKXVXPCKCLPCC-GFCCVEGCSA-N 0 0 308.403 2.431 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cnn([C@@H](C)CC)c1C)C(=O)OC ZINC000601786691 360149647 /nfs/dbraw/zinc/14/96/47/360149647.db2.gz HUFUZCXHVFBSED-FZMZJTMJSA-N 0 0 307.394 2.400 10 30 DEEERN C=C(C)C[C@H](NC(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O)C(=O)OC ZINC000601788209 360150484 /nfs/dbraw/zinc/15/04/84/360150484.db2.gz ODDQKVIGESYYDM-IXXDHKBRSA-N 0 0 321.417 2.396 10 30 DEEERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601806478 360155902 /nfs/dbraw/zinc/15/59/02/360155902.db2.gz FLSUSBOKDGQNFY-INMHGKMJSA-N 0 0 311.385 2.115 10 30 DEEERN CC#CCCCC(=O)Nc1c(C)nn(CCC(=O)OC)c1C ZINC000601845094 360172433 /nfs/dbraw/zinc/17/24/33/360172433.db2.gz CBMCCNJKZLEKSJ-UHFFFAOYSA-N 0 0 305.378 2.195 10 30 DEEERN C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601853907 360175286 /nfs/dbraw/zinc/17/52/86/360175286.db2.gz GVJZEJMVDWCJNR-KBUPBQIOSA-N 0 0 315.421 2.485 10 30 DEEERN C=CCSCCNC(=O)[C@H]1CCN1Cc1ccc(OC)cc1 ZINC000602088508 360259772 /nfs/dbraw/zinc/25/97/72/360259772.db2.gz OZMLSQNJWAYVRA-MRXNPFEDSA-N 0 0 320.458 2.305 10 30 DEEERN C=C(C)C[C@@H](NC1CCN(c2ccccn2)CC1)C(=O)OC ZINC000602733474 360523950 /nfs/dbraw/zinc/52/39/50/360523950.db2.gz IJZRHYARHYHRNB-OAHLLOKOSA-N 0 0 303.406 2.148 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)c1sc2ncccc2c1Cl ZINC000627977841 366683071 /nfs/dbraw/zinc/68/30/71/366683071.db2.gz ZYWWTNJROJWRPK-VIFPVBQESA-N 0 0 308.790 2.454 10 30 DEEERN C[C@@H]1CC(O)C[C@@H](C)N1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000191263272 200655088 /nfs/dbraw/zinc/65/50/88/200655088.db2.gz IVZVRMCDKADUHA-GHMZBOCLSA-N 0 0 321.808 2.384 10 30 DEEERN COCCN(CC(=O)OC(C)(C)C)C(=O)c1sccc1C#N ZINC000609180634 361288098 /nfs/dbraw/zinc/28/80/98/361288098.db2.gz HRWUHNVZPBWYBS-UHFFFAOYSA-N 0 0 324.402 2.050 10 30 DEEERN C=CCN(C(=O)c1cc(C)n(C2CCOCC2)n1)[C@H](C)COC ZINC000628055061 366705652 /nfs/dbraw/zinc/70/56/52/366705652.db2.gz PQKUTCCWQSBVCJ-CQSZACIVSA-N 0 0 321.421 2.206 10 30 DEEERN CC(C)[C@@H](C#N)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000609539283 361318905 /nfs/dbraw/zinc/31/89/05/361318905.db2.gz WWODNXHMJIDKKF-MRXNPFEDSA-N 0 0 315.417 2.124 10 30 DEEERN Cc1cc(CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)[nH]n1 ZINC000609594983 361324672 /nfs/dbraw/zinc/32/46/72/361324672.db2.gz KODXCPRNFAWHEP-INIZCTEOSA-N 0 0 312.373 2.310 10 30 DEEERN CC(=O)NC[C@@H]1CCCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000609892183 361346869 /nfs/dbraw/zinc/34/68/69/361346869.db2.gz PGRRJOISMWBCER-AWEZNQCLSA-N 0 0 308.385 2.459 10 30 DEEERN C[C@H](O)C[C@H](CNC(=O)c1ccnc(C#N)c1)c1ccccc1 ZINC000193526794 201069875 /nfs/dbraw/zinc/06/98/75/201069875.db2.gz CGYDHHMXLQJDMH-XJKSGUPXSA-N 0 0 309.369 2.238 10 30 DEEERN N#Cc1cc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)ccn1 ZINC000193710513 201108956 /nfs/dbraw/zinc/10/89/56/201108956.db2.gz ZQDFKQHFSXJSBC-CQSZACIVSA-N 0 0 324.359 2.491 10 30 DEEERN C=C(C)CN(C)Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC000628234903 366778607 /nfs/dbraw/zinc/77/86/07/366778607.db2.gz REBYSPNMGFUZKJ-UHFFFAOYSA-N 0 0 324.384 2.214 10 30 DEEERN N#Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)ccn1 ZINC000193745432 201116616 /nfs/dbraw/zinc/11/66/16/201116616.db2.gz DRLFROWWGVYDQS-SFHVURJKSA-N 0 0 321.380 2.367 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)c1ccncc1 ZINC000610518524 361414827 /nfs/dbraw/zinc/41/48/27/361414827.db2.gz XSOFPPDJORKGTL-CYBMUJFWSA-N 0 0 315.398 2.344 10 30 DEEERN CCOC(=O)C1CCC(NC(=O)Cc2cccc(C#N)c2)CC1 ZINC000610520249 361415013 /nfs/dbraw/zinc/41/50/13/361415013.db2.gz VPXNECDZQBHGHA-UHFFFAOYSA-N 0 0 314.385 2.339 10 30 DEEERN CCC[C@@H](NC(=O)c1ccnc(C#N)c1)C(=O)OC(C)(C)C ZINC000193823583 201129893 /nfs/dbraw/zinc/12/98/93/201129893.db2.gz JTMVFMZBZYRGFR-CYBMUJFWSA-N 0 0 303.362 2.193 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1cnc2sc(C)cn2c1=O ZINC000628315110 366806574 /nfs/dbraw/zinc/80/65/74/366806574.db2.gz ZFNFLXAJDFECCD-UHFFFAOYSA-N 0 0 305.403 2.397 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000628318380 366807532 /nfs/dbraw/zinc/80/75/32/366807532.db2.gz BRTSQYMLZMOCSS-BFHYXJOUSA-N 0 0 320.433 2.269 10 30 DEEERN C=CC(C)(C)CCNC(=O)C1CCN(c2cnccn2)CC1 ZINC000628317552 366807626 /nfs/dbraw/zinc/80/76/26/366807626.db2.gz OHTWHYBYAWHKAX-UHFFFAOYSA-N 0 0 302.422 2.412 10 30 DEEERN N#Cc1cccc(CC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000610870500 361482716 /nfs/dbraw/zinc/48/27/16/361482716.db2.gz JBSUENJYXUYTNI-WBVHZDCISA-N 0 0 316.426 2.272 10 30 DEEERN Cn1c2cc(C(=O)NCc3ccc(C#N)cc3F)ccc2[nH]c1=O ZINC000611030382 361515928 /nfs/dbraw/zinc/51/59/28/361515928.db2.gz PMPGXOSASQTOCF-UHFFFAOYSA-N 0 0 324.315 2.220 10 30 DEEERN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@@H]1c1cnn(C)c1 ZINC000246449797 291276256 /nfs/dbraw/zinc/27/62/56/291276256.db2.gz MQCIGNNOVJPYCV-IAGOWNOFSA-N 0 0 324.384 2.343 10 30 DEEERN C=CCOCCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611547699 361628165 /nfs/dbraw/zinc/62/81/65/361628165.db2.gz IKASTFWGCOJUOU-UHFFFAOYSA-N 0 0 316.260 2.129 10 30 DEEERN CNC(=O)Cc1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000611555917 361629567 /nfs/dbraw/zinc/62/95/67/361629567.db2.gz KAQWNIDHFKUQIW-UHFFFAOYSA-N 0 0 314.389 2.133 10 30 DEEERN C=CCOCCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000611561538 361632589 /nfs/dbraw/zinc/63/25/89/361632589.db2.gz ZGHOIGTWWSRDHT-HNNXBMFYSA-N 0 0 316.361 2.210 10 30 DEEERN CC(C)[C@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CCO1 ZINC000611523143 361622225 /nfs/dbraw/zinc/62/22/25/361622225.db2.gz XFBATDUPXFDSSE-OAHLLOKOSA-N 0 0 305.353 2.264 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(C)cn1 ZINC000612021204 361726111 /nfs/dbraw/zinc/72/61/11/361726111.db2.gz HPMFWFDRBAIDOU-ZBFHGGJFSA-N 0 0 315.417 2.257 10 30 DEEERN CC1(C#N)CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 ZINC000619495744 363811645 /nfs/dbraw/zinc/81/16/45/363811645.db2.gz VDPRORVKFYPZEP-UHFFFAOYSA-N 0 0 303.387 2.067 10 30 DEEERN Cc1ccc(CCCNC(=O)[C@H](C)n2cnc(C#N)n2)c(C)c1 ZINC000619584863 363834064 /nfs/dbraw/zinc/83/40/64/363834064.db2.gz XHQHOURVIKSXPJ-AWEZNQCLSA-N 0 0 311.389 2.077 10 30 DEEERN C[C@@H](C(=O)N1CC[C@@H](C)[C@H]2CCCC[C@@H]21)n1cnc(C#N)n1 ZINC000619586931 363835341 /nfs/dbraw/zinc/83/53/41/363835341.db2.gz UFSIXVNRIKDECA-RQJABVFESA-N 0 0 301.394 2.138 10 30 DEEERN C[C@@H](C(=O)NC1(c2ccc(F)cc2)CCC1)n1cnc(C#N)n1 ZINC000619588715 363835442 /nfs/dbraw/zinc/83/54/42/363835442.db2.gz LMTCBMZEVCESOW-NSHDSACASA-N 0 0 313.336 2.045 10 30 DEEERN C=C[C@@H](NCc1ccc(Br)cc1OC)C(=O)OC ZINC000619703987 363861341 /nfs/dbraw/zinc/86/13/41/363861341.db2.gz SLEZBCHXNFPRHW-LLVKDONJSA-N 0 0 314.179 2.275 10 30 DEEERN C=C[C@@H](C(=O)OC)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000619718609 363864727 /nfs/dbraw/zinc/86/47/27/363864727.db2.gz SBDIXELUXPQJTF-HNNXBMFYSA-N 0 0 308.447 2.156 10 30 DEEERN Cn1nc2c(c1C(=O)NCC1CCC(C#N)CC1)CCCC2 ZINC000619660034 363850226 /nfs/dbraw/zinc/85/02/26/363850226.db2.gz QMKXKBAGZBDXOD-UHFFFAOYSA-N 0 0 300.406 2.359 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@@]3(C)CC3(C)C)cc2C1=O ZINC000620084054 363952051 /nfs/dbraw/zinc/95/20/51/363952051.db2.gz RZGYZBJYTDPDOW-SFHVURJKSA-N 0 0 312.369 2.387 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCOc1ccc(C(N)=O)cc1 ZINC000620310187 364013658 /nfs/dbraw/zinc/01/36/58/364013658.db2.gz XBRBSLWBAMHHBP-GASCZTMLSA-N 0 0 314.385 2.264 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000620309661 364013699 /nfs/dbraw/zinc/01/36/99/364013699.db2.gz SZBSBKOVVLMJHS-BETUJISGSA-N 0 0 316.405 2.217 10 30 DEEERN CC[C@@H]1CC[C@H](C#N)[C@H](N2CCSC[C@@H]2S(C)(=O)=O)C1 ZINC000090922376 192947575 /nfs/dbraw/zinc/94/75/75/192947575.db2.gz JDGLYZSPVMNHRN-SYQHCUMBSA-N 0 0 316.492 2.124 10 30 DEEERN Cc1nn(C)cc1CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000448653520 239488250 /nfs/dbraw/zinc/48/82/50/239488250.db2.gz AESRBWMXKCDHOB-UHFFFAOYSA-N 0 0 308.385 2.334 10 30 DEEERN C=CCCC(C)(C)NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000620863781 364181145 /nfs/dbraw/zinc/18/11/45/364181145.db2.gz BUXBASHKVRXQCD-UHFFFAOYSA-N 0 0 313.401 2.337 10 30 DEEERN C=C[C@@](C)(O)CC(=O)NCc1cc(-c2ccccc2OC)no1 ZINC000620962084 364214353 /nfs/dbraw/zinc/21/43/53/364214353.db2.gz KARAKDLOTRDPKZ-QGZVFWFLSA-N 0 0 316.357 2.294 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000621123859 364269053 /nfs/dbraw/zinc/26/90/53/364269053.db2.gz RTGMRDXNVKRQPD-DFBGVHRSSA-N 0 0 305.365 2.486 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CNC(=O)NCc2ccc(C)cc2)C1 ZINC000628484640 366863838 /nfs/dbraw/zinc/86/38/38/366863838.db2.gz RDDTXHTZWYIISH-MRXNPFEDSA-N 0 0 315.417 2.219 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CCn2c3ccccc3n(C)c2=O)C1 ZINC000628484510 366863934 /nfs/dbraw/zinc/86/39/34/366863934.db2.gz OLPYPXZZJGJWCJ-AWEZNQCLSA-N 0 0 313.401 2.155 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000628487731 366864990 /nfs/dbraw/zinc/86/49/90/366864990.db2.gz LFLFOBUKNYZEMU-CQSZACIVSA-N 0 0 309.369 2.480 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CCCNC(=O)c2cccnc2)C1 ZINC000628488851 366865580 /nfs/dbraw/zinc/86/55/80/366865580.db2.gz KBVPIWPAVZJDNA-AWEZNQCLSA-N 0 0 301.390 2.016 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@H](CS(C)(=O)=O)c2ccccc2)C1 ZINC000628491740 366866371 /nfs/dbraw/zinc/86/63/71/366866371.db2.gz GSLVPQPAXBMIRD-GDBMZVCRSA-N 0 0 321.442 2.239 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C2CN(C(=O)C3CCCCC3)C2)C1 ZINC000628493844 366866584 /nfs/dbraw/zinc/86/65/84/366866584.db2.gz XYXUILZYMACETG-AWEZNQCLSA-N 0 0 304.434 2.450 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCCc1nnc2n1CCCCC2 ZINC000623400636 365015787 /nfs/dbraw/zinc/01/57/87/365015787.db2.gz AXONCHOLBHVYGK-UHFFFAOYSA-N 0 0 319.453 2.449 10 30 DEEERN C=CCCOCCNC(=O)NC[C@]1(C)COc2ccccc2O1 ZINC000623809611 365181376 /nfs/dbraw/zinc/18/13/76/365181376.db2.gz KPASAUSBAGVEAJ-QGZVFWFLSA-N 0 0 320.389 2.108 10 30 DEEERN O=C(NCc1ccc(Cl)s1)c1ccncc1C#CCCO ZINC000091460025 193059869 /nfs/dbraw/zinc/05/98/69/193059869.db2.gz WINFDQSKRGMYIX-UHFFFAOYSA-N 0 0 320.801 2.460 10 30 DEEERN C=CC(C)(C)CNC(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC000624156280 365311767 /nfs/dbraw/zinc/31/17/67/365311767.db2.gz XKNJHEPIHOPKBY-UHFFFAOYSA-N 0 0 303.362 2.143 10 30 DEEERN C=CCn1cc(CNC(=O)N2CCC[C@H](C/C=C/C)C2)nn1 ZINC000624242527 365348828 /nfs/dbraw/zinc/34/88/28/365348828.db2.gz QAJQUDMOJPCPNG-KQIUPUNMSA-N 0 0 303.410 2.352 10 30 DEEERN C=CCCC1(CNC(=O)NC[C@H]2COCCN2C)CCCC1 ZINC000624339359 365386549 /nfs/dbraw/zinc/38/65/49/365386549.db2.gz OVPHEXKRUKBPKQ-HNNXBMFYSA-N 0 0 309.454 2.143 10 30 DEEERN C=CCOCCCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000624368262 365398826 /nfs/dbraw/zinc/39/88/26/365398826.db2.gz JMSDAUXOPPJISQ-MRXNPFEDSA-N 0 0 309.454 2.285 10 30 DEEERN C=CCC1(C(=O)NCc2ccc3oc(=O)n(C)c3c2)CCC1 ZINC000629058961 367063898 /nfs/dbraw/zinc/06/38/98/367063898.db2.gz OQSIBYFDMHNUPI-UHFFFAOYSA-N 0 0 300.358 2.494 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000629125991 367089427 /nfs/dbraw/zinc/08/94/27/367089427.db2.gz ZPCXPKCJHKXLKP-NVXWUHKLSA-N 0 0 301.386 2.478 10 30 DEEERN C=CCC[C@@H]1NC(=O)N([C@@H]2COc3cccc(C)c3C2)C1=O ZINC000629480584 367215092 /nfs/dbraw/zinc/21/50/92/367215092.db2.gz UMCBYAYMBGOJKN-JSGCOSHPSA-N 0 0 300.358 2.185 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000450640744 242043286 /nfs/dbraw/zinc/04/32/86/242043286.db2.gz ADPFEUWHEAKWKR-MJBXVCDLSA-N 0 0 309.406 2.158 10 30 DEEERN CC#CCCNC(=O)c1ccc(C)c(C(=O)NCCC#CC)c1 ZINC000450691503 242103132 /nfs/dbraw/zinc/10/31/32/242103132.db2.gz YJPZZEFABJSZNC-UHFFFAOYSA-N 0 0 310.397 2.281 10 30 DEEERN Cc1cc(C#N)nc(N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)n1 ZINC000450863834 242318954 /nfs/dbraw/zinc/31/89/54/242318954.db2.gz SWBKLGWQNVGPRJ-STQMWFEESA-N 0 0 321.384 2.435 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cc(OC)c(C)c(OC)c2)C1=O ZINC000630522339 367704002 /nfs/dbraw/zinc/70/40/02/367704002.db2.gz XMCIQHNJMGTNIR-LBPRGKRZSA-N 0 0 304.346 2.403 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2ccc(O[C@H]3CCOC3)cc2)C1=O ZINC000630505300 367694975 /nfs/dbraw/zinc/69/49/75/367694975.db2.gz GFRPYQWQXHVTNT-GJZGRUSLSA-N 0 0 316.357 2.245 10 30 DEEERN C=C1CC(C)(C(=O)N2CCC(C(=O)Nc3nncs3)CC2)C1 ZINC000630779126 367840570 /nfs/dbraw/zinc/84/05/70/367840570.db2.gz FDUVCRUXRJVCOD-UHFFFAOYSA-N 0 0 320.418 2.072 10 30 DEEERN C=C1CC(C)(C(=O)NCCOc2cccc(NC(C)=O)c2)C1 ZINC000630928145 367917618 /nfs/dbraw/zinc/91/76/18/367917618.db2.gz QOSWYEYCNNKMMV-UHFFFAOYSA-N 0 0 302.374 2.496 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2cccnc2OCCC)C1=O ZINC000630968292 367941722 /nfs/dbraw/zinc/94/17/22/367941722.db2.gz DKDTWCHXLGKTTG-ZDUSSCGKSA-N 0 0 303.362 2.257 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCCOc2ccc(F)cc2)C1=O ZINC000630968238 367941726 /nfs/dbraw/zinc/94/17/26/367941726.db2.gz CNINEEASQRRRMH-CQSZACIVSA-N 0 0 306.337 2.481 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@H](C)Oc2cccc(F)c2)C1=O ZINC000630978434 367947917 /nfs/dbraw/zinc/94/79/17/367947917.db2.gz ZWBWSKYCWDQGBW-SMDDNHRTSA-N 0 0 306.337 2.480 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H](Cc2ccccc2)OC)C1=O ZINC000630986045 367951738 /nfs/dbraw/zinc/95/17/38/367951738.db2.gz YGIIYGWKDHICDF-GJZGRUSLSA-N 0 0 302.374 2.131 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H](C)c2ccc3[nH]c(=O)oc3c2)C1=O ZINC000630996953 367959494 /nfs/dbraw/zinc/95/94/94/367959494.db2.gz YHADIAPSKRKSOZ-BXKDBHETSA-N 0 0 315.329 2.481 10 30 DEEERN C=C1CC(C)(C(=O)NC[C@H](Cc2ccccc2Cl)C(N)=O)C1 ZINC000631152706 368048182 /nfs/dbraw/zinc/04/81/82/368048182.db2.gz XVYNNGZZJYCVFT-ZDUSSCGKSA-N 0 0 320.820 2.457 10 30 DEEERN CC[C@@H](C#N)N1CCN(C(=O)c2ccccc2SC)CC1 ZINC000092213126 193173865 /nfs/dbraw/zinc/17/38/65/193173865.db2.gz QGVKJESEBTXHPC-ZDUSSCGKSA-N 0 0 303.431 2.468 10 30 DEEERN C=CCOc1ccc(CNC(=O)C[C@@H]2CCOC[C@H]2OC)cc1 ZINC000451671535 243290048 /nfs/dbraw/zinc/29/00/48/243290048.db2.gz ZJQZCMIBDPWTBG-DOTOQJQBSA-N 0 0 319.401 2.309 10 30 DEEERN CC(=O)C[C@H]1CCCCN1S(=O)(=O)c1ccccc1C#N ZINC000093474823 193257111 /nfs/dbraw/zinc/25/71/11/193257111.db2.gz JDJKHZBDMTYMRN-CQSZACIVSA-N 0 0 306.387 2.081 10 30 DEEERN CN[C@]1(C#N)CCC[C@@H]1CCSc1nnc2ccccn21 ZINC000093581287 193269888 /nfs/dbraw/zinc/26/98/88/193269888.db2.gz XUGFSABAQKNMIO-DOMZBBRYSA-N 0 0 301.419 2.493 10 30 DEEERN CC(C)N[C@@]1(C#N)CCC[C@@H](Sc2nnnn2C2CC2)C1 ZINC000093746949 193300544 /nfs/dbraw/zinc/30/05/44/193300544.db2.gz VAXAGTHLLSAAHP-OCCSQVGLSA-N 0 0 306.439 2.303 10 30 DEEERN N#C[C@]1(NC2CC2)CCC[C@@H](Sc2nnnn2C2CC2)C1 ZINC000093746943 193300784 /nfs/dbraw/zinc/30/07/84/193300784.db2.gz PCRVZBHNUHPWOH-OCCSQVGLSA-N 0 0 304.423 2.057 10 30 DEEERN C[C@@H](C(=O)c1ccc(Br)cc1)N1CCO[C@H](C#N)C1 ZINC000093933240 193329217 /nfs/dbraw/zinc/32/92/17/193329217.db2.gz OKMBIQKDJWRKHF-GXFFZTMASA-N 0 0 323.190 2.245 10 30 DEEERN CCC(CC)N(CCO)C(=O)c1csc(C#CCCO)c1 ZINC000093974596 193332513 /nfs/dbraw/zinc/33/25/13/193332513.db2.gz JAEQLXRGSWVQMV-UHFFFAOYSA-N 0 0 309.431 2.105 10 30 DEEERN Cc1noc(C)c1CNC(=O)c1csc(C#CCCO)c1 ZINC000093975531 193333007 /nfs/dbraw/zinc/33/30/07/193333007.db2.gz JUWHXYSVARHJDY-UHFFFAOYSA-N 0 0 304.371 2.017 10 30 DEEERN CC[C@@H](NC(=O)c1csc(C#CCO)c1)c1nccs1 ZINC000093975320 193333410 /nfs/dbraw/zinc/33/34/10/193333410.db2.gz RVXREOQCYSYHEP-GFCCVEGCSA-N 0 0 306.412 2.430 10 30 DEEERN CC1(C)CCCC[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1N ZINC000094322167 193359069 /nfs/dbraw/zinc/35/90/69/193359069.db2.gz MWIIIAJJHPYGJW-AWEZNQCLSA-N 0 0 307.419 2.388 10 30 DEEERN N#Cc1ccc(C(F)(F)F)nc1Sc1nnnn1C1CC1 ZINC000094336906 193361196 /nfs/dbraw/zinc/36/11/96/193361196.db2.gz WPISXBJGWMESGF-UHFFFAOYSA-N 0 0 312.280 2.445 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)C[NH2+][C@@](C)(CC)C(=O)[O-] ZINC000094228587 193352565 /nfs/dbraw/zinc/35/25/65/193352565.db2.gz OTVCSJYAJNKWOF-HNNXBMFYSA-N 0 0 310.419 2.106 10 30 DEEERN CO[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@H]1Cc1ccncc1 ZINC000096200303 193577271 /nfs/dbraw/zinc/57/72/71/193577271.db2.gz VIUYPLUQGQMJEB-ZWKOTPCHSA-N 0 0 321.380 2.425 10 30 DEEERN Cc1ccccc1NC(=O)NCC#Cc1ccc(C(N)=O)cc1 ZINC000096352055 193615760 /nfs/dbraw/zinc/61/57/60/193615760.db2.gz NUJDNXSLUBWSBD-UHFFFAOYSA-N 0 0 307.353 2.267 10 30 DEEERN C=CCn1c(N2CC[C@H](COCC)C2)nnc1[C@@]1(C)CCCO1 ZINC000453442327 245139118 /nfs/dbraw/zinc/13/91/18/245139118.db2.gz PFTYFOCXNCEFRW-WMLDXEAASA-N 0 0 320.437 2.353 10 30 DEEERN C=CC(C)(C)CNC(=O)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000453881750 245340746 /nfs/dbraw/zinc/34/07/46/245340746.db2.gz PTGXBLRZPLSPQS-UHFFFAOYSA-N 0 0 320.389 2.279 10 30 DEEERN C=C(C)CCNC(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000453881350 245341089 /nfs/dbraw/zinc/34/10/89/245341089.db2.gz QHYYTETYMDOXFD-SNVBAGLBSA-N 0 0 307.419 2.289 10 30 DEEERN C=CC(C)(C)CNC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000453878429 245337478 /nfs/dbraw/zinc/33/74/78/245337478.db2.gz IGVUPOXBJQWQCP-UHFFFAOYSA-N 0 0 302.374 2.279 10 30 DEEERN C[C@@H](OC(=O)c1ccccc1N)C(=O)Nc1ccc(C#N)cc1 ZINC000009751745 181639679 /nfs/dbraw/zinc/63/96/79/181639679.db2.gz JOUDQUGJZQVZIU-LLVKDONJSA-N 0 0 309.325 2.324 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)CCc1ccnn1C ZINC000274709376 211857170 /nfs/dbraw/zinc/85/71/70/211857170.db2.gz SNQWXGAZBRUJCV-UHFFFAOYSA-N 0 0 301.321 2.143 10 30 DEEERN CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H](CCO)C1 ZINC000456004730 246875580 /nfs/dbraw/zinc/87/55/80/246875580.db2.gz XGYMILVWUDRBLO-INIZCTEOSA-N 0 0 300.402 2.358 10 30 DEEERN CC[C@H](NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)[C@H](C)O ZINC000456221465 247024152 /nfs/dbraw/zinc/02/41/52/247024152.db2.gz NZILJCQKBBQOMD-NOLJZWGESA-N 0 0 304.390 2.237 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CN(C(C)C)C1 ZINC000457748387 247991677 /nfs/dbraw/zinc/99/16/77/247991677.db2.gz PXYOTVBVSQGNCL-QGZVFWFLSA-N 0 0 315.417 2.170 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N1C[C@H](O)C[C@H](C)C1 ZINC000458370722 248281916 /nfs/dbraw/zinc/28/19/16/248281916.db2.gz GTDZCEGFQXSMIM-DZGCQCFKSA-N 0 0 304.390 2.164 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)N[C@H](COC)c1ccc(F)cc1 ZINC000458469260 248324384 /nfs/dbraw/zinc/32/43/84/248324384.db2.gz OJNDNOKASLBEKX-LSDHHAIUSA-N 0 0 310.369 2.140 10 30 DEEERN C=CCC[C@H](CO)NC(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000458632942 248409150 /nfs/dbraw/zinc/40/91/50/248409150.db2.gz OPEKFNIENWOLTD-LLVKDONJSA-N 0 0 316.323 2.273 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CCOc2ccccc21 ZINC000076935879 291672599 /nfs/dbraw/zinc/67/25/99/291672599.db2.gz LPGPXLKWRHQLDV-UHFFFAOYSA-N 0 0 314.366 2.454 10 30 DEEERN CCc1ccc(Oc2ncnc(N(CC#N)CC#N)c2N)cc1 ZINC000040736919 183126943 /nfs/dbraw/zinc/12/69/43/183126943.db2.gz LZBKFUGAHDTPIV-UHFFFAOYSA-N 0 0 308.345 2.267 10 30 DEEERN C[C@H](CN(C)Cc1ccccc1Br)/C(N)=N/O ZINC000042307833 183252543 /nfs/dbraw/zinc/25/25/43/183252543.db2.gz QRUOYQWOUVWBBM-SECBINFHSA-N 0 0 300.200 2.263 10 30 DEEERN CN(Cc1csc(C#CCO)c1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000042363901 183259295 /nfs/dbraw/zinc/25/92/95/183259295.db2.gz ZWDPPXRIPQKJMS-JGGQBBKZSA-N 0 0 303.427 2.487 10 30 DEEERN CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)N(c2nccc(C)c2C#N)C1 ZINC000284672426 218126265 /nfs/dbraw/zinc/12/62/65/218126265.db2.gz YUZWVUMRKCIQCZ-OCCSQVGLSA-N 0 0 324.388 2.224 10 30 DEEERN C#Cc1cccc(NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000047100718 183581037 /nfs/dbraw/zinc/58/10/37/183581037.db2.gz BLDHLIXAQZSNSS-MRXNPFEDSA-N 0 0 321.384 2.248 10 30 DEEERN Cc1nc(CN2CCCN(C(=O)C(C)(C)C#N)CC2)cs1 ZINC000105819484 194135702 /nfs/dbraw/zinc/13/57/02/194135702.db2.gz SCENAAOXRUPAFM-UHFFFAOYSA-N 0 0 306.435 2.036 10 30 DEEERN Cn1ncc(C#N)c1NC(=O)Cc1ccc(Br)cc1 ZINC000106036353 194181468 /nfs/dbraw/zinc/18/14/68/194181468.db2.gz KJISJXNPHCOBCG-UHFFFAOYSA-N 0 0 319.162 2.235 10 30 DEEERN N#Cc1cnc(NCc2ccnc(OCC(F)(F)F)c2)cn1 ZINC000106464546 194218709 /nfs/dbraw/zinc/21/87/09/194218709.db2.gz FOQHXGFJEUICCP-UHFFFAOYSA-N 0 0 309.251 2.296 10 30 DEEERN C[C@H](NC(=O)N1CCO[C@H](C#N)C1)c1nc(C(C)(C)C)cs1 ZINC000106575114 194231898 /nfs/dbraw/zinc/23/18/98/194231898.db2.gz UDUYSXAFFHDBKG-WDEREUQCSA-N 0 0 322.434 2.436 10 30 DEEERN COc1ccc(C#CCCO)cc1CN(C)CC(F)(F)F ZINC000049613434 183748613 /nfs/dbraw/zinc/74/86/13/183748613.db2.gz HRTNORIRQWPABZ-UHFFFAOYSA-N 0 0 301.308 2.423 10 30 DEEERN Cc1ccc(C#N)cc1NS(=O)(=O)CCc1ccccn1 ZINC000050436354 183786367 /nfs/dbraw/zinc/78/63/67/183786367.db2.gz ASXCJSZSFVNJOP-UHFFFAOYSA-N 0 0 301.371 2.246 10 30 DEEERN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)c1cc(C#N)ccn1 ZINC000285432511 218433804 /nfs/dbraw/zinc/43/38/04/218433804.db2.gz OZMLAEBMCSOVBT-KYJSFNMBSA-N 0 0 313.401 2.499 10 30 DEEERN N#CCOc1ccc(CC(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000110227339 194316989 /nfs/dbraw/zinc/31/69/89/194316989.db2.gz LEAQTUSDQTYGGM-SJORKVTESA-N 0 0 314.385 2.301 10 30 DEEERN Cc1c(Cl)cnc(N2CC[C@](O)(C(F)(F)F)C2)c1C#N ZINC000273372341 210721002 /nfs/dbraw/zinc/72/10/02/210721002.db2.gz RWPULQRGFKJSAF-LLVKDONJSA-N 0 0 305.687 2.419 10 30 DEEERN C#CCOC[C@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 ZINC000056922859 184021709 /nfs/dbraw/zinc/02/17/09/184021709.db2.gz JQMUUYRWXUTKJL-HNNXBMFYSA-N 0 0 300.402 2.255 10 30 DEEERN CCc1nc(CNS(=O)(=O)c2cccc(C)c2C#N)cs1 ZINC000157357037 197181586 /nfs/dbraw/zinc/18/15/86/197181586.db2.gz LAEWSCPQEITZJO-UHFFFAOYSA-N 0 0 321.427 2.364 10 30 DEEERN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1/N=C/c1ccccc1Cl ZINC000059425603 184138420 /nfs/dbraw/zinc/13/84/20/184138420.db2.gz HITJUDSHLZGTSW-RLPNTBFDSA-N 0 0 300.745 2.481 10 30 DEEERN CN(Cc1cccc(C#N)c1)C(=O)c1cnc(N)c(Cl)c1 ZINC000060942288 184158711 /nfs/dbraw/zinc/15/87/11/184158711.db2.gz JRXJBIPHDJVSAJ-UHFFFAOYSA-N 0 0 300.749 2.461 10 30 DEEERN CCn1c(SCCCC[C@](C)(C#N)NC(C)C)n[nH]c1=O ZINC000061607198 184177987 /nfs/dbraw/zinc/17/79/87/184177987.db2.gz APRTYTKSHNCEAZ-CQSZACIVSA-N 0 0 311.455 2.134 10 30 DEEERN CN(c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1N ZINC000061979807 184200109 /nfs/dbraw/zinc/20/01/09/184200109.db2.gz HHZBJMWUDRJFAH-UHFFFAOYSA-N 0 0 301.371 2.312 10 30 DEEERN C[C@H](CC#N)N(C)S(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000063086199 184269763 /nfs/dbraw/zinc/26/97/63/184269763.db2.gz TVMUXXGDZVYUHY-SSDOTTSWSA-N 0 0 322.217 2.498 10 30 DEEERN C[C@@H](CC#N)N(C)C(=O)c1ccc(NN)c(C(F)(F)F)c1 ZINC000063098515 184270443 /nfs/dbraw/zinc/27/04/43/184270443.db2.gz FUGQKLYDGZCRIT-QMMMGPOBSA-N 0 0 300.284 2.365 10 30 DEEERN N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C[NH3+])c1 ZINC000063191089 184277263 /nfs/dbraw/zinc/27/72/63/184277263.db2.gz ZXBNVZSZDWQEGE-UHFFFAOYSA-N 0 0 321.789 2.471 10 30 DEEERN CC(C)CCN(CCC#N)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000116340232 194740193 /nfs/dbraw/zinc/74/01/93/194740193.db2.gz DSZLHCBWLGACBV-AWEZNQCLSA-N 0 0 301.456 2.225 10 30 DEEERN N#Cc1csc(CN2CCn3c(nnc3-c3cccnc3)C2)c1 ZINC000538723011 285052790 /nfs/dbraw/zinc/05/27/90/285052790.db2.gz FWBWRPRSXKGSPC-UHFFFAOYSA-N 0 0 322.397 2.289 10 30 DEEERN CC[C@H]1CN(C(=O)c2ccccc2C#CCCO)CCS1 ZINC000157975268 197231771 /nfs/dbraw/zinc/23/17/71/197231771.db2.gz AFUIBSPQXQAXBM-HNNXBMFYSA-N 0 0 303.427 2.388 10 30 DEEERN CC[C@H]1CN(C(=O)c2cccc(C#CCCO)c2)CCS1 ZINC000157966747 197231311 /nfs/dbraw/zinc/23/13/11/197231311.db2.gz PDRMTOZRJBABNP-INIZCTEOSA-N 0 0 303.427 2.388 10 30 DEEERN CC[C@H]1CN(C(=O)c2sccc2C#CCCO)CCS1 ZINC000157969787 197230816 /nfs/dbraw/zinc/23/08/16/197230816.db2.gz HRWYMQPLBIARAV-ZDUSSCGKSA-N 0 0 309.456 2.450 10 30 DEEERN C#CCN(CC1CC1)S(=O)(=O)c1cccc2c1N=S=N2 ZINC000157742391 197212172 /nfs/dbraw/zinc/21/21/72/197212172.db2.gz AQAQKMKLIFSKRA-UHFFFAOYSA-N 0 0 307.400 2.447 10 30 DEEERN N#C[C@@]1(Cc2ccc(Cl)cc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000157580764 197199206 /nfs/dbraw/zinc/19/92/06/197199206.db2.gz KNGRYFUJHBJRAL-LBPRGKRZSA-N 0 0 314.750 2.119 10 30 DEEERN Cc1cc(-n2cc(I)cn2)c(C#N)c(C)n1 ZINC000157469204 197190330 /nfs/dbraw/zinc/19/03/30/197190330.db2.gz NLTQHCIWXIOMRN-UHFFFAOYSA-N 0 0 324.125 2.360 10 30 DEEERN Cc1csc(C2CCN([C@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000156715205 197136224 /nfs/dbraw/zinc/13/62/24/197136224.db2.gz QNZHLVARIDRZMS-CYBMUJFWSA-N 0 0 320.462 2.392 10 30 DEEERN O=C(NC[C@H]1CCCCS1)c1ccc(F)cc1C#CCO ZINC000156563139 197123374 /nfs/dbraw/zinc/12/33/74/197123374.db2.gz MNYSHNGVJTVFLP-CQSZACIVSA-N 0 0 307.390 2.185 10 30 DEEERN CCOC(=O)[C@]1(C)CCN(c2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000154898484 197003075 /nfs/dbraw/zinc/00/30/75/197003075.db2.gz AEVXYGFVUDYSLI-OAHLLOKOSA-N 0 0 303.318 2.246 10 30 DEEERN C=CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)c1ccc(C)nc1 ZINC000248095378 257109091 /nfs/dbraw/zinc/10/90/91/257109091.db2.gz MMQWOMNMQSGZAG-BBWFWOEESA-N 0 0 316.401 2.212 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCC1N=NC(=S)N1C(C)C ZINC000121954083 195381417 /nfs/dbraw/zinc/38/14/17/195381417.db2.gz PJDMWFIMLXDGGM-UHFFFAOYSA-N 0 0 315.402 2.258 10 30 DEEERN C[C@]1(CNC(=O)c2ccc(C#CCO)c(F)c2)CCCS1 ZINC000124566590 195654967 /nfs/dbraw/zinc/65/49/67/195654967.db2.gz HESYZMQVPXXCEV-MRXNPFEDSA-N 0 0 307.390 2.185 10 30 DEEERN C[C@@]1(CNC(=O)c2ccc(C#CCO)cc2F)CCCS1 ZINC000124569566 195655219 /nfs/dbraw/zinc/65/52/19/195655219.db2.gz XUBNEKZWONINOV-INIZCTEOSA-N 0 0 307.390 2.185 10 30 DEEERN Cc1nnsc1C(=O)Nc1cc(Cl)ccc1C#CCO ZINC000125288950 195732393 /nfs/dbraw/zinc/73/23/93/195732393.db2.gz DLOFJZARFIOQQI-UHFFFAOYSA-N 0 0 307.762 2.096 10 30 DEEERN CCOC(=O)CN(C(=O)Cc1cccc(C#N)c1)C1CCC1 ZINC000545218566 285401993 /nfs/dbraw/zinc/40/19/93/285401993.db2.gz OVLFFQJCDXBNTD-UHFFFAOYSA-N 0 0 300.358 2.045 10 30 DEEERN N#Cc1cccc(Cc2nc(Cc3cccc(C(N)=O)c3)no2)c1 ZINC000546354254 285489927 /nfs/dbraw/zinc/48/99/27/285489927.db2.gz ZHYYLWNLKVIPHB-UHFFFAOYSA-N 0 0 318.336 2.222 10 30 DEEERN N#Cc1ccc(C2=CCN(C(=O)NCCc3cn[nH]c3)CC2)cc1 ZINC000358187627 133127430 /nfs/dbraw/zinc/12/74/30/133127430.db2.gz QLWLTZHMIJLUNP-UHFFFAOYSA-N 0 0 321.384 2.323 10 30 DEEERN N#Cc1cnc(N[C@H]2CCCN(c3ccccc3C#N)C2)cn1 ZINC000373516334 133393830 /nfs/dbraw/zinc/39/38/30/133393830.db2.gz OTVLEUWPOVTIAV-AWEZNQCLSA-N 0 0 304.357 2.301 10 30 DEEERN C=CCn1c(-c2cccn2C)nnc1N1CCOC(C)(C)[C@H]1C ZINC000350791766 404471500 /nfs/dbraw/zinc/47/15/00/404471500.db2.gz KKIGZRRIKABFRW-CYBMUJFWSA-N 0 0 315.421 2.473 10 30 DEEERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC000329866980 404475969 /nfs/dbraw/zinc/47/59/69/404475969.db2.gz VISQZJQBDYLMLO-IOASZLSFSA-N 0 0 321.421 2.290 10 30 DEEERN C=C(C)CNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000342274755 404479451 /nfs/dbraw/zinc/47/94/51/404479451.db2.gz PLIUAQVTTNNNHA-DZGCQCFKSA-N 0 0 301.390 2.051 10 30 DEEERN COc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000183646124 144932190 /nfs/dbraw/zinc/93/21/90/144932190.db2.gz GPCMRBMQYWIZHE-UHFFFAOYSA-N 0 0 319.324 2.400 10 30 DEEERN COC(=O)[C@@]1(C)CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000188499880 145013368 /nfs/dbraw/zinc/01/33/68/145013368.db2.gz NGECLAPBECMPCX-KRWDZBQOSA-N 0 0 312.369 2.001 10 30 DEEERN Cc1cc(C[C@@H](C)NC(=O)C2(c3ccc(C#N)cc3)CC2)[nH]n1 ZINC000188767662 145017524 /nfs/dbraw/zinc/01/75/24/145017524.db2.gz MZXHBEGSAOSUAO-GFCCVEGCSA-N 0 0 308.385 2.369 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)c3cn4ccnc4s3)C2)cc1 ZINC000188802985 145017757 /nfs/dbraw/zinc/01/77/57/145017757.db2.gz JFRFUCGMMPNAQV-UHFFFAOYSA-N 0 0 324.365 2.171 10 30 DEEERN C[C@@]1(c2ccco2)NC(=O)N(Cc2ccc(C#N)c(F)c2)C1=O ZINC000191750105 145063929 /nfs/dbraw/zinc/06/39/29/145063929.db2.gz LPDICRRCPJMXPS-INIZCTEOSA-N 0 0 313.288 2.258 10 30 DEEERN N#Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2ccncc2)ccn1 ZINC000193247847 145084404 /nfs/dbraw/zinc/08/44/04/145084404.db2.gz LAQSMTPIOGNNOF-INIZCTEOSA-N 0 0 308.341 2.174 10 30 DEEERN C[C@H]1CN(C(=O)c2ccnc(C#N)c2)c2ccccc2NC1=O ZINC000193594368 145087642 /nfs/dbraw/zinc/08/76/42/145087642.db2.gz RUQNGLUWNSXUQC-NSHDSACASA-N 0 0 306.325 2.188 10 30 DEEERN COc1ccc(CN2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)cc1C#N ZINC000246786081 145114729 /nfs/dbraw/zinc/11/47/29/145114729.db2.gz PJASHRSTGLCJKI-XYJFISCASA-N 0 0 316.401 2.335 10 30 DEEERN N#Cc1ccc(N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)cn1 ZINC000344097304 145802612 /nfs/dbraw/zinc/80/26/12/145802612.db2.gz XGTCGKKLJYBNRZ-AEFFLSMTSA-N 0 0 319.368 2.265 10 30 DEEERN COc1ccc(C(C)=O)cc1CC(=O)Nc1cc(C#N)ccn1 ZINC000357386509 147098357 /nfs/dbraw/zinc/09/83/57/147098357.db2.gz UNFDFZKTNUIAGG-UHFFFAOYSA-N 0 0 309.325 2.346 10 30 DEEERN Cn1cc(C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)cc1C#N ZINC000375007532 148315095 /nfs/dbraw/zinc/31/50/95/148315095.db2.gz CWZLQLTWMKTTJM-IBGZPJMESA-N 0 0 309.413 2.423 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CCS(=O)(=O)CC(C)C ZINC000126352816 401690482 /nfs/dbraw/zinc/69/04/82/401690482.db2.gz ROHCUULIITWVLS-UHFFFAOYSA-N 0 0 315.357 2.024 10 30 DEEERN N#CCCCS(=O)(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000111333522 401712112 /nfs/dbraw/zinc/71/21/12/401712112.db2.gz RIXNGUWWNGKVFU-MRXNPFEDSA-N 0 0 315.398 2.394 10 30 DEEERN C=CCNc1ncc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)s1 ZINC000129020909 401797877 /nfs/dbraw/zinc/79/78/77/401797877.db2.gz JRGUOHAIGVZUPY-LLVKDONJSA-N 0 0 317.418 2.104 10 30 DEEERN N#CC1(NC(=O)CN2CCCC[C@H]2c2cn[nH]c2)CCCCC1 ZINC000114483677 401801744 /nfs/dbraw/zinc/80/17/44/401801744.db2.gz YPSBYYGSZUCVTG-HNNXBMFYSA-N 0 0 315.421 2.279 10 30 DEEERN CCc1nccn1[C@@H]1CCCN(S(=O)(=O)CCCCC#N)C1 ZINC000128498331 401779343 /nfs/dbraw/zinc/77/93/43/401779343.db2.gz SBAHJZPUGNKTRS-CQSZACIVSA-N 0 0 324.450 2.106 10 30 DEEERN Cc1occc1CN(C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128537903 401782101 /nfs/dbraw/zinc/78/21/01/401782101.db2.gz MKKBIGZMDUKUFK-UHFFFAOYSA-N 0 0 318.398 2.365 10 30 DEEERN C[C@@H](C(=O)N1CC(Oc2ccc(C#N)cc2)C1)C1CCOCC1 ZINC000130279103 401825384 /nfs/dbraw/zinc/82/53/84/401825384.db2.gz UCVQJTHWFLWDFE-CYBMUJFWSA-N 0 0 314.385 2.211 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)C[C@@H](O)c3ccccc3)C2)cc1 ZINC000130344208 401828092 /nfs/dbraw/zinc/82/80/92/401828092.db2.gz KVBUZPOMXDLUIX-GOSISDBHSA-N 0 0 322.364 2.272 10 30 DEEERN COc1cccc(CC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000130419238 401830761 /nfs/dbraw/zinc/83/07/61/401830761.db2.gz IKSICSCKCUAJSU-UHFFFAOYSA-N 0 0 322.364 2.399 10 30 DEEERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n1 ZINC000116776355 401858850 /nfs/dbraw/zinc/85/88/50/401858850.db2.gz DJJMWFRSVALJSX-MRXNPFEDSA-N 0 0 323.400 2.319 10 30 DEEERN C=CCC(CC=C)C(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000132818252 401874245 /nfs/dbraw/zinc/87/42/45/401874245.db2.gz JDBMJFIFVBXZGZ-MRXNPFEDSA-N 0 0 303.406 2.187 10 30 DEEERN Cc1sc(C(=O)Nc2ccn(CCC#N)n2)cc1[N+](=O)[O-] ZINC000117715135 401882311 /nfs/dbraw/zinc/88/23/11/401882311.db2.gz HFCNIWMEQSNIBT-UHFFFAOYSA-N 0 0 305.319 2.327 10 30 DEEERN COc1ccc(CSCC(=O)NCC(F)(F)F)cc1C#N ZINC000135319654 401935398 /nfs/dbraw/zinc/93/53/98/401935398.db2.gz JYWZFJYRKBPQQO-UHFFFAOYSA-N 0 0 318.320 2.479 10 30 DEEERN C#CCOCCC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000089763828 401961909 /nfs/dbraw/zinc/96/19/09/401961909.db2.gz QCHGGJQBWGOWEB-OAHLLOKOSA-N 0 0 307.777 2.360 10 30 DEEERN CCOC(=O)CC[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000089803982 401964731 /nfs/dbraw/zinc/96/47/31/401964731.db2.gz MBHZUYACFUIXRP-QWHCGFSZSA-N 0 0 318.373 2.174 10 30 DEEERN C=C(C)CN(CC)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000047103232 401979086 /nfs/dbraw/zinc/97/90/86/401979086.db2.gz GKCGUSQOXVLKBC-AWEZNQCLSA-N 0 0 303.410 2.053 10 30 DEEERN COC(=O)[C@@H]1CCN(C(=O)c2ccc(C#N)cn2)c2ccccc21 ZINC000089228182 401939387 /nfs/dbraw/zinc/93/93/87/401939387.db2.gz XCZSKHHTRZGFIO-CQSZACIVSA-N 0 0 321.336 2.260 10 30 DEEERN CCN(CCc1nccs1)C(=O)Nc1ccn(CCC#N)n1 ZINC000151048017 402013385 /nfs/dbraw/zinc/01/33/85/402013385.db2.gz HLRANYUKMDGBNZ-UHFFFAOYSA-N 0 0 318.406 2.350 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@H]([S@@](=O)c2ncccc2C#N)C1 ZINC000095083178 402024416 /nfs/dbraw/zinc/02/44/16/402024416.db2.gz AILLNDHSVSZWQJ-YTEVENLXSA-N 0 0 321.402 2.070 10 30 DEEERN C=CCN(Cc1nnnn1C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287968 402112420 /nfs/dbraw/zinc/11/24/20/402112420.db2.gz YOVCTDHTDIXLRZ-UHFFFAOYSA-N 0 0 314.349 2.104 10 30 DEEERN N#Cc1cccc(OCCCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000123660347 402140343 /nfs/dbraw/zinc/14/03/43/402140343.db2.gz FBCLOVMCXZZGCG-HZPDHXFCSA-N 0 0 310.353 2.278 10 30 DEEERN C=CCNC(=O)NC(=O)CN1CCCC[C@H]1c1ccc(C)o1 ZINC000124736498 402194811 /nfs/dbraw/zinc/19/48/11/402194811.db2.gz FZAOIYFBZRKJLW-ZDUSSCGKSA-N 0 0 305.378 2.127 10 30 DEEERN CN(CC(=O)NC(C)(C)C)C(=O)CSc1ccc(C#N)cc1 ZINC000102979286 402175932 /nfs/dbraw/zinc/17/59/32/402175932.db2.gz KNYBDVIRROJYBJ-UHFFFAOYSA-N 0 0 319.430 2.023 10 30 DEEERN CCC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C[C@@H]1CCCCO1 ZINC000106867058 402218842 /nfs/dbraw/zinc/21/88/42/402218842.db2.gz UCAKQSVTYMPVCX-HOTGVXAUSA-N 0 0 309.454 2.276 10 30 DEEERN N#CCN(C(=O)Cn1ccc(=O)c2ccccc21)C1CCCC1 ZINC000125330900 402226210 /nfs/dbraw/zinc/22/62/10/402226210.db2.gz HXRXBTSHBRVAIQ-UHFFFAOYSA-N 0 0 309.369 2.296 10 30 DEEERN CCc1nc2n(n1)C[C@@H](Nc1c(F)cc(C#N)cc1F)CC2 ZINC000108948782 402264983 /nfs/dbraw/zinc/26/49/83/402264983.db2.gz CAONKVXLIDWBHL-JTQLQIEISA-N 0 0 303.316 2.417 10 30 DEEERN CCN(C(=O)c1cc(C(N)=O)cn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000125925665 402257018 /nfs/dbraw/zinc/25/70/18/402257018.db2.gz KERSITJXARKHNC-LBPRGKRZSA-N 0 0 324.384 2.219 10 30 DEEERN C[C@H]1Sc2ccc(C(=O)N[C@@H](C#N)C3CC3)cc2NC1=O ZINC000108833794 402262524 /nfs/dbraw/zinc/26/25/24/402262524.db2.gz ARUMCSHKGVQEFW-PELKAZGASA-N 0 0 301.371 2.151 10 30 DEEERN N#C[C@@H](NC(=O)COc1cccc(Br)c1)C1CC1 ZINC000108830508 402262646 /nfs/dbraw/zinc/26/26/46/402262646.db2.gz NAKOTHYVLBGFRF-GFCCVEGCSA-N 0 0 309.163 2.246 10 30 DEEERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1(C#N)CCOCC1 ZINC000109138767 402268346 /nfs/dbraw/zinc/26/83/46/402268346.db2.gz XSLPKGZNXMVEBO-UHFFFAOYSA-N 0 0 324.384 2.151 10 30 DEEERN C[C@@H]1CC[C@H](C(N)=O)CN1c1ccc(C#N)cc1Br ZINC000213309668 402279693 /nfs/dbraw/zinc/27/96/93/402279693.db2.gz KTRHPYWWVNKFOJ-KOLCDFICSA-N 0 0 322.206 2.411 10 30 DEEERN CC(C)c1nc([C@H]2CCCN2C(=O)c2cc(C#N)cn2C)no1 ZINC000176195535 402288789 /nfs/dbraw/zinc/28/87/89/402288789.db2.gz CAGNOVIIQKPAAN-GFCCVEGCSA-N 0 0 313.361 2.380 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCC([C@H](O)c2nccn2C)CC1 ZINC000184746927 402296776 /nfs/dbraw/zinc/29/67/76/402296776.db2.gz MSGSVUYDWHNDCK-HIFRSBDPSA-N 0 0 305.422 2.294 10 30 DEEERN C[C@H](CNC(=O)c1cc(C#N)cn1C)COCc1ccccc1 ZINC000176870834 402344691 /nfs/dbraw/zinc/34/46/91/402344691.db2.gz ZCALNYOMTQQSRI-CQSZACIVSA-N 0 0 311.385 2.479 10 30 DEEERN C=C(C)CN(CC)C(=O)C[S@@](=O)Cc1nccn1C(C)C ZINC000176880130 402345042 /nfs/dbraw/zinc/34/50/42/402345042.db2.gz OEVWKVCFCZYQTQ-NRFANRHFSA-N 0 0 311.451 2.137 10 30 DEEERN N#Cc1ccc(NC(=O)N2CCO[C@@]3(CCOC3)C2)cc1Cl ZINC000185351232 402345912 /nfs/dbraw/zinc/34/59/12/402345912.db2.gz WFVAVWZBFWGNMY-HNNXBMFYSA-N 0 0 321.764 2.235 10 30 DEEERN Cc1n[nH]c(C)c1NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000185897458 402387686 /nfs/dbraw/zinc/38/76/86/402387686.db2.gz LSXBYYGRMBINBR-UHFFFAOYSA-N 0 0 322.332 2.123 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1cc(OC)c(OC)cc1C(N)=O ZINC000185542596 402359997 /nfs/dbraw/zinc/35/99/97/402359997.db2.gz YWSNHVNCYXBHNB-JTQLQIEISA-N 0 0 306.362 2.344 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000185584454 402362852 /nfs/dbraw/zinc/36/28/52/402362852.db2.gz UQAXMXDQAUVDCK-UONOGXRCSA-N 0 0 320.389 2.145 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000185808175 402379096 /nfs/dbraw/zinc/37/90/96/402379096.db2.gz WGQFCMQKSJENJD-RYUDHWBXSA-N 0 0 304.173 2.080 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1nc(-c2ccccc2)oc1C ZINC000185828166 402380637 /nfs/dbraw/zinc/38/06/37/402380637.db2.gz LSANYFOJDQDNHG-AWEZNQCLSA-N 0 0 300.358 2.246 10 30 DEEERN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCCC1(C)C ZINC000161862158 402401958 /nfs/dbraw/zinc/40/19/58/402401958.db2.gz ZPHRBWARRTWBEE-GFCCVEGCSA-N 0 0 315.373 2.317 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000186396531 402428145 /nfs/dbraw/zinc/42/81/45/402428145.db2.gz OIMJFQKZUPVCKG-JSGCOSHPSA-N 0 0 307.350 2.282 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000185920186 402389383 /nfs/dbraw/zinc/38/93/83/402389383.db2.gz YLHYXVTUXLMKMB-SSDOTTSWSA-N 0 0 308.687 2.421 10 30 DEEERN C=CCNC(=O)CN1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000185945476 402391994 /nfs/dbraw/zinc/39/19/94/402391994.db2.gz VKBIBOWVSBYINZ-ILXRZTDVSA-N 0 0 322.449 2.263 10 30 DEEERN CCC1(CC)CN(C(=O)c2cccc(C#N)c2)CC[S@]1=O ZINC000186717592 402459225 /nfs/dbraw/zinc/45/92/25/402459225.db2.gz IHKCQURNPSZANT-OAQYLSRUSA-N 0 0 304.415 2.322 10 30 DEEERN Cn1cccc1[C@@H]1CCCCN1S(=O)(=O)CC1(C#N)CC1 ZINC000165815622 402478709 /nfs/dbraw/zinc/47/87/09/402478709.db2.gz BCCARMWVRNOKAX-AWEZNQCLSA-N 0 0 307.419 2.186 10 30 DEEERN CCOC(=O)CCCNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187619198 402505973 /nfs/dbraw/zinc/50/59/73/402505973.db2.gz JHTKZIBWEBLRRR-UHFFFAOYSA-N 0 0 300.358 2.049 10 30 DEEERN COc1ccccc1N1CCC(Nc2nccnc2C#N)CC1 ZINC000171026806 402550806 /nfs/dbraw/zinc/55/08/06/402550806.db2.gz RAXZORRUHIKXCQ-UHFFFAOYSA-N 0 0 309.373 2.438 10 30 DEEERN COc1cccc([C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)c1 ZINC000178602305 402516057 /nfs/dbraw/zinc/51/60/57/402516057.db2.gz WQOKGIHGMYJJJC-INIZCTEOSA-N 0 0 311.341 2.109 10 30 DEEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188223181 402517442 /nfs/dbraw/zinc/51/74/42/402517442.db2.gz HGARKOAPLGGHPR-HNNXBMFYSA-N 0 0 321.384 2.141 10 30 DEEERN N#CCCCCNC(=O)NCC[C@H]1C(=O)Nc2ccccc21 ZINC000171414830 402585440 /nfs/dbraw/zinc/58/54/40/402585440.db2.gz AQYHDVYSVXVGLC-CYBMUJFWSA-N 0 0 300.362 2.105 10 30 DEEERN CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000179773634 402600488 /nfs/dbraw/zinc/60/04/88/402600488.db2.gz BCCMRTYIOGCZHS-CYBMUJFWSA-N 0 0 313.401 2.276 10 30 DEEERN Cc1cccc(N(CCC#N)C(=O)Cn2ccnc2C#N)c1C ZINC000179869352 402602260 /nfs/dbraw/zinc/60/22/60/402602260.db2.gz CCWZEPWEMQRCST-UHFFFAOYSA-N 0 0 307.357 2.319 10 30 DEEERN Cc1ccc(NC(=O)c2nnc(Cn3ccnc3C#N)s2)cc1 ZINC000179877961 402603052 /nfs/dbraw/zinc/60/30/52/402603052.db2.gz IIVANQDXRNHTLZ-UHFFFAOYSA-N 0 0 324.369 2.215 10 30 DEEERN CCNS(=O)(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000180098191 402606825 /nfs/dbraw/zinc/60/68/25/402606825.db2.gz LADSZSXTDSVCJO-UHFFFAOYSA-N 0 0 315.398 2.169 10 30 DEEERN C=CCCCN(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181897027 402659830 /nfs/dbraw/zinc/65/98/30/402659830.db2.gz FLYBGCKEXNHCBZ-UHFFFAOYSA-N 0 0 312.391 2.267 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(C#N)ccc1F ZINC000191226367 402652559 /nfs/dbraw/zinc/65/25/59/402652559.db2.gz GJHBKGCFQSHLOO-XPKDYRNWSA-N 0 0 302.349 2.471 10 30 DEEERN N#Cc1ccc(NC(=O)[C@@H]2CCCN2c2nccs2)cc1C#N ZINC000173097235 402685474 /nfs/dbraw/zinc/68/54/74/402685474.db2.gz JZHMIEHJAAABHW-AWEZNQCLSA-N 0 0 323.381 2.494 10 30 DEEERN C[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)c1cccnc1 ZINC000173479041 402699718 /nfs/dbraw/zinc/69/97/18/402699718.db2.gz GJRRANUQWKVTHK-CYBMUJFWSA-N 0 0 310.357 2.392 10 30 DEEERN C=C(C)CN(C)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000182910553 402726121 /nfs/dbraw/zinc/72/61/21/402726121.db2.gz NICJJSMDRXTOMY-HNNXBMFYSA-N 0 0 301.390 2.400 10 30 DEEERN C#CCCCNC(=O)NC1CCN(c2ccccc2OC)CC1 ZINC000174119800 402727562 /nfs/dbraw/zinc/72/75/62/402727562.db2.gz UOKJDACKZHTVLU-UHFFFAOYSA-N 0 0 315.417 2.377 10 30 DEEERN CS(=O)(=O)C1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000174309161 402735988 /nfs/dbraw/zinc/73/59/88/402735988.db2.gz XRUCMYYMYQDLPS-UHFFFAOYSA-N 0 0 321.402 2.036 10 30 DEEERN CCS(=O)(=O)c1ccc(F)c(C(=O)NC2(C#N)CCCC2)c1 ZINC000174637551 402749653 /nfs/dbraw/zinc/74/96/53/402749653.db2.gz BJIPLEQQFFVZLJ-UHFFFAOYSA-N 0 0 324.377 2.185 10 30 DEEERN Cn1cc(CN2CCC[N@H+](CCCC(C)(C)C#N)CC2)cn1 ZINC000174850274 402760222 /nfs/dbraw/zinc/76/02/22/402760222.db2.gz RRXYPVRBGPHPNS-UHFFFAOYSA-N 0 0 303.454 2.258 10 30 DEEERN C[C@H](NCc1ccccc1C#N)c1ccc(S(N)(=O)=O)cc1 ZINC000182856590 402722334 /nfs/dbraw/zinc/72/23/34/402722334.db2.gz ZRCOCMMKDQTAPY-LBPRGKRZSA-N 0 0 315.398 2.056 10 30 DEEERN CC(C)[C@](C)(C#N)NC(=O)CCc1ccc2c(c1)OCCO2 ZINC000194416761 402796215 /nfs/dbraw/zinc/79/62/15/402796215.db2.gz XVJYGZGMHYGMBL-KRWDZBQOSA-N 0 0 302.374 2.445 10 30 DEEERN N#Cc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccn1 ZINC000194972949 402824932 /nfs/dbraw/zinc/82/49/32/402824932.db2.gz KGWGBDYNXJYRAV-UHFFFAOYSA-N 0 0 310.332 2.055 10 30 DEEERN N#Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CS3)ccn1 ZINC000195071732 402829980 /nfs/dbraw/zinc/82/99/80/402829980.db2.gz VGOVRUTUERCYPW-UHFFFAOYSA-N 0 0 310.338 2.250 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000184264983 402831261 /nfs/dbraw/zinc/83/12/61/402831261.db2.gz UERJEMRZYPLCRC-LBPRGKRZSA-N 0 0 310.419 2.277 10 30 DEEERN C=C(C)CS(=O)(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000184320964 402835318 /nfs/dbraw/zinc/83/53/18/402835318.db2.gz ISXSTGBPQRAICK-UHFFFAOYSA-N 0 0 305.403 2.210 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000183633077 402783952 /nfs/dbraw/zinc/78/39/52/402783952.db2.gz QAADTUXFQRRPSC-CQSZACIVSA-N 0 0 317.389 2.262 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)/C=C/c2ccco2)cn1 ZINC000183660553 402786451 /nfs/dbraw/zinc/78/64/51/402786451.db2.gz CQEHFTURQLTBKF-AATRIKPKSA-N 0 0 305.297 2.384 10 30 DEEERN CCc1onc(C)c1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183672978 402787591 /nfs/dbraw/zinc/78/75/91/402787591.db2.gz GRVYMKAXCJDKIU-UHFFFAOYSA-N 0 0 322.328 2.250 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000175976487 402846034 /nfs/dbraw/zinc/84/60/34/402846034.db2.gz WEZSUVATIAJLRW-GFCCVEGCSA-N 0 0 300.387 2.373 10 30 DEEERN C=CCOc1cccc(N2C(=O)N[C@]3(CCSC3)C2=O)c1 ZINC000278087726 402854381 /nfs/dbraw/zinc/85/43/81/402854381.db2.gz KKLMXKALEKTOLK-HNNXBMFYSA-N 0 0 304.371 2.183 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000278913429 402885012 /nfs/dbraw/zinc/88/50/12/402885012.db2.gz QYLWMJQWCBSIIN-GUYCJALGSA-N 0 0 301.361 2.417 10 30 DEEERN C#CCOc1cccc(NC(=O)C(=O)N[C@@H](C)C2CCCC2)c1 ZINC000265117585 402895466 /nfs/dbraw/zinc/89/54/66/402895466.db2.gz ULOAYNZDCFEGDF-ZDUSSCGKSA-N 0 0 314.385 2.332 10 30 DEEERN C=CC[C@@H](CO)NC(=O)COc1ccccc1C(F)(F)F ZINC000273488118 403009097 /nfs/dbraw/zinc/00/90/97/403009097.db2.gz NQZKYMYVLPXLJE-JTQLQIEISA-N 0 0 303.280 2.137 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1c(F)cccc1OC(F)F ZINC000273211664 402983280 /nfs/dbraw/zinc/98/32/80/402983280.db2.gz ASSMPXARCJLVLD-SECBINFHSA-N 0 0 318.295 2.163 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(N(C)C)cc1 ZINC000280767334 403034740 /nfs/dbraw/zinc/03/47/40/403034740.db2.gz NYMKDERXIRYTJD-BBRMVZONSA-N 0 0 324.446 2.012 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)C(C)(C)c2ccccc2F)C1=O ZINC000280992673 403056260 /nfs/dbraw/zinc/05/62/60/403056260.db2.gz APOMESWRAQMWJP-HNNXBMFYSA-N 0 0 318.392 2.349 10 30 DEEERN Cn1c2c(nc1[C@@H]1CCCN1c1cnc(C#N)cn1)CCCC2 ZINC000275499425 403103420 /nfs/dbraw/zinc/10/34/20/403103420.db2.gz CHDNXYSZZKOKHQ-HNNXBMFYSA-N 0 0 308.389 2.302 10 30 DEEERN C#CCSCCNC(=O)N1CCC=C(Br)C1 ZINC000282008033 403113136 /nfs/dbraw/zinc/11/31/36/403113136.db2.gz XVGREPQBISXVNX-UHFFFAOYSA-N 0 0 303.225 2.047 10 30 DEEERN N#Cc1c[nH]c(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1 ZINC000269814102 403168320 /nfs/dbraw/zinc/16/83/20/403168320.db2.gz DECCWTJYJNWVPK-IAQYHMDHSA-N 0 0 317.295 2.113 10 30 DEEERN Cc1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cnn1 ZINC000276133382 403147605 /nfs/dbraw/zinc/14/76/05/403147605.db2.gz ZEDKLDUSNWJAQA-UHFFFAOYSA-N 0 0 321.384 2.009 10 30 DEEERN C=CCCCCNC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000277573549 403232330 /nfs/dbraw/zinc/23/23/30/403232330.db2.gz XVGWXEFGEBCQLZ-GFCCVEGCSA-N 0 0 304.394 2.265 10 30 DEEERN C=CCCCN(C)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000284022095 403239280 /nfs/dbraw/zinc/23/92/80/403239280.db2.gz QPNDWCIOTCSUCM-AWEZNQCLSA-N 0 0 307.415 2.372 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)NC(C)(CO)CO ZINC000276448533 403176257 /nfs/dbraw/zinc/17/62/57/403176257.db2.gz SWJGMULAUBVWDO-UHFFFAOYSA-N 0 0 306.406 2.403 10 30 DEEERN C=CCCCN(C)c1nnc([C@@H]2COCCO2)n1CC(C)C ZINC000283194317 403179768 /nfs/dbraw/zinc/17/97/68/403179768.db2.gz AWQKTWUFEOMFEI-AWEZNQCLSA-N 0 0 308.426 2.424 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](C)CCc1ccc(O)cc1 ZINC000283297337 403187644 /nfs/dbraw/zinc/18/76/44/403187644.db2.gz CPJHGXABCCWCKO-AWEZNQCLSA-N 0 0 318.417 2.254 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCc1c[nH]c2ccccc12 ZINC000283352868 403191736 /nfs/dbraw/zinc/19/17/36/403191736.db2.gz SSGHYRHWLZXDIO-UHFFFAOYSA-N 0 0 313.401 2.251 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCO[C@H](C#N)C1 ZINC000283358032 403191840 /nfs/dbraw/zinc/19/18/40/403191840.db2.gz SRHRDHPNUZCARR-CQSZACIVSA-N 0 0 303.410 2.172 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000277647408 403240871 /nfs/dbraw/zinc/24/08/71/403240871.db2.gz KNGSUFMOQJCJFZ-SFHVURJKSA-N 0 0 322.408 2.129 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000277679015 403244197 /nfs/dbraw/zinc/24/41/97/403244197.db2.gz MWXRDROMGSHNHU-GOSISDBHSA-N 0 0 322.408 2.303 10 30 DEEERN C=CC[C@H]1N(C(=O)N[C@@H](C)Cn2cncn2)CCCC1(C)C ZINC000277755925 403253797 /nfs/dbraw/zinc/25/37/97/403253797.db2.gz QPWTVBHAPHMOMR-UONOGXRCSA-N 0 0 305.426 2.443 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)NCCCc1cccc(F)c1 ZINC000345491190 403354749 /nfs/dbraw/zinc/35/47/49/403354749.db2.gz YLGLUSNRAWJABW-UHFFFAOYSA-N 0 0 304.365 2.075 10 30 DEEERN C=CCC(C)(C)C(=O)NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000342730725 403325445 /nfs/dbraw/zinc/32/54/45/403325445.db2.gz KZTMQYWGDIDBJR-UHFFFAOYSA-N 0 0 314.389 2.494 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)CCc1ccc(F)cc1 ZINC000298251825 403341462 /nfs/dbraw/zinc/34/14/62/403341462.db2.gz DRKHJEAKZAQBLR-UHFFFAOYSA-N 0 0 306.381 2.251 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000298527321 403405060 /nfs/dbraw/zinc/40/50/60/403405060.db2.gz ZZJDTZNRHFJDNE-MRXNPFEDSA-N 0 0 300.402 2.427 10 30 DEEERN C#Cc1cccc(NC(=O)N2CCO[C@@]3(CCCOC3)C2)c1 ZINC000286926944 403549661 /nfs/dbraw/zinc/54/96/61/403549661.db2.gz FXYXUXDSNNTPNP-KRWDZBQOSA-N 0 0 300.358 2.081 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccc(OCC)c(F)c1 ZINC000286325738 403500372 /nfs/dbraw/zinc/50/03/72/403500372.db2.gz HONQTFAVSAUYSP-UHFFFAOYSA-N 0 0 322.380 2.265 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)C2(C#N)CCCC2)C12CCOCC2 ZINC000187118919 286341313 /nfs/dbraw/zinc/34/13/13/286341313.db2.gz SVNGBWXFBNDADP-UONOGXRCSA-N 0 0 306.406 2.161 10 30 DEEERN C=CC1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H](C)CC)CC1 ZINC000346861853 403605324 /nfs/dbraw/zinc/60/53/24/403605324.db2.gz YTUNSQZIQZPYIJ-GXTWGEPZSA-N 0 0 310.463 2.359 10 30 DEEERN C=CCOCC(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000347050112 403612934 /nfs/dbraw/zinc/61/29/34/403612934.db2.gz FPQBCLNAIHVVNM-UHFFFAOYSA-N 0 0 319.401 2.201 10 30 DEEERN C=CCC(F)(F)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000294045687 403632365 /nfs/dbraw/zinc/63/23/65/403632365.db2.gz IZSDAKOTPPSYMY-ZDUSSCGKSA-N 0 0 310.344 2.014 10 30 DEEERN C#CCCNC(=O)Nc1c(C)cccc1-c1nnnn1[C@@H]1C[C@H]1C ZINC000287737082 403657541 /nfs/dbraw/zinc/65/75/41/403657541.db2.gz UFFYDTCBSFFIGP-TZMCWYRMSA-N 0 0 324.388 2.374 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](Cc1nc(C)no1)c1ccccc1 ZINC000287841847 403677173 /nfs/dbraw/zinc/67/71/73/403677173.db2.gz CPYDWCSKWRYADY-QGZVFWFLSA-N 0 0 321.380 2.441 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000287907482 403688867 /nfs/dbraw/zinc/68/88/67/403688867.db2.gz OYZFPFOJNCWCNF-GOSISDBHSA-N 0 0 323.371 2.428 10 30 DEEERN C=C(CNC(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccccc1 ZINC000287952749 403698277 /nfs/dbraw/zinc/69/82/77/403698277.db2.gz HASDKONPGQFMJM-HZPDHXFCSA-N 0 0 320.433 2.157 10 30 DEEERN C[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)n1)CC1(C)OCCO1 ZINC000302728697 403716915 /nfs/dbraw/zinc/71/69/15/403716915.db2.gz PCTWNPCHLMOXDW-SNVBAGLBSA-N 0 0 306.322 2.063 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC(C(C)(C)O)C1 ZINC000288122898 403730008 /nfs/dbraw/zinc/73/00/08/403730008.db2.gz KCNVQIIZRCCVFG-INIZCTEOSA-N 0 0 300.402 2.033 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1cc(C)cc(OC)c1 ZINC000288547305 403757533 /nfs/dbraw/zinc/75/75/33/403757533.db2.gz YRKRCIFLGVEQLP-UHFFFAOYSA-N 0 0 304.390 2.044 10 30 DEEERN C#Cc1ccc(CNC(=O)CCn2c(C)c(C)sc2=O)cc1 ZINC000295355536 403879070 /nfs/dbraw/zinc/87/90/70/403879070.db2.gz FLKWWECEEIZJRD-UHFFFAOYSA-N 0 0 314.410 2.214 10 30 DEEERN C=C[C@@H](CC(=O)NC[C@@]1(CCO)CCOC1)c1ccccc1 ZINC000305664024 403907927 /nfs/dbraw/zinc/90/79/27/403907927.db2.gz GUKXPUKERAVZMM-MAUKXSAKSA-N 0 0 303.402 2.252 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1Cc2ccccc2C1 ZINC000289317794 403909758 /nfs/dbraw/zinc/90/97/58/403909758.db2.gz BELXWRAMZZHRHD-HNNXBMFYSA-N 0 0 312.373 2.072 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@H]1SCCc2ccccc21 ZINC000344113331 403918306 /nfs/dbraw/zinc/91/83/06/403918306.db2.gz LZLWJGYMEQVKRE-DZGCQCFKSA-N 0 0 306.431 2.253 10 30 DEEERN CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)CC(C)(C)C#N ZINC000362733563 403984913 /nfs/dbraw/zinc/98/49/13/403984913.db2.gz KECGOSRUYCVNOZ-GFCCVEGCSA-N 0 0 312.410 2.179 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(OCCOC)cc1 ZINC000362801392 403989206 /nfs/dbraw/zinc/98/92/06/403989206.db2.gz MOUFUOIWKPOUCN-IRXDYDNUSA-N 0 0 319.401 2.309 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCNC(=O)CC1CCCCC1 ZINC000362867069 403994996 /nfs/dbraw/zinc/99/49/96/403994996.db2.gz KITAHIRPCFFNPY-NVXWUHKLSA-N 0 0 322.449 2.170 10 30 DEEERN CC#CCN(C)C(=O)C(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000344237650 403999796 /nfs/dbraw/zinc/99/97/96/403999796.db2.gz XEIMYBONUVDXKE-UHFFFAOYSA-N 0 0 311.341 2.070 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CN1C(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C1=O ZINC000348763865 404098307 /nfs/dbraw/zinc/09/83/07/404098307.db2.gz WSXMNOXKPABFNX-AICCOOGYSA-N 0 0 304.390 2.030 10 30 DEEERN C=CCc1ccc(OCC(=O)NCC[C@H]2CCOC2)c(OC)c1 ZINC000344330502 404062845 /nfs/dbraw/zinc/06/28/45/404062845.db2.gz TYYHYTGZOLAJEG-HNNXBMFYSA-N 0 0 319.401 2.345 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N(C[C@H](C)c2ccc(F)cc2F)C1=O ZINC000348509822 404073620 /nfs/dbraw/zinc/07/36/20/404073620.db2.gz LKBKIKNPRBQWHH-HZMBPMFUSA-N 0 0 324.327 2.191 10 30 DEEERN Cn1cncc1[C@@H]1C[C@@H](NC(=O)NC(C2CC2)C2CC2)CCO1 ZINC000328624753 404117853 /nfs/dbraw/zinc/11/78/53/404117853.db2.gz KEBSAIQSDHPTMM-ZFWWWQNUSA-N 0 0 318.421 2.332 10 30 DEEERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCOc2ccccc2)C1 ZINC000328642457 404122967 /nfs/dbraw/zinc/12/29/67/404122967.db2.gz RBHNDTVYHGQEQG-UHFFFAOYSA-N 0 0 320.389 2.350 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)NC[C@@]1(C)CCCO1)CCC2 ZINC000328639999 404122982 /nfs/dbraw/zinc/12/29/82/404122982.db2.gz CHKZFMSOQNQEOS-XJKSGUPXSA-N 0 0 306.410 2.142 10 30 DEEERN CC[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc(C)nc32)C[C@H](C)O1 ZINC000328651477 404125172 /nfs/dbraw/zinc/12/51/72/404125172.db2.gz JVFFVYPMLKKORW-SOUVJXGZSA-N 0 0 320.437 2.482 10 30 DEEERN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCCOC1 ZINC000328732311 404139711 /nfs/dbraw/zinc/13/97/11/404139711.db2.gz HCUUYVKKESNCQS-NUDNTCICSA-N 0 0 318.421 2.224 10 30 DEEERN CC(C)(C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1)S(=O)(=O)C1CC1 ZINC000328846670 404161453 /nfs/dbraw/zinc/16/14/53/404161453.db2.gz XTHGSFZUOFMHEQ-VHSXEESVSA-N 0 0 316.423 2.393 10 30 DEEERN C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)C[C@@H](C2CC2)O1 ZINC000328894190 404170802 /nfs/dbraw/zinc/17/08/02/404170802.db2.gz UTUBYAWLQPZGLJ-HPAJIGNASA-N 0 0 321.421 2.297 10 30 DEEERN C=CCN(C(=O)COCCC)c1nc(C(=O)OCC)cs1 ZINC000355089274 404210394 /nfs/dbraw/zinc/21/03/94/404210394.db2.gz IQNYVJALIHPHGT-UHFFFAOYSA-N 0 0 312.391 2.265 10 30 DEEERN CN1C(=O)CC[C@@H]1C(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000329139854 404241665 /nfs/dbraw/zinc/24/16/65/404241665.db2.gz JCYWHDDZNVZNDF-BJJXKVORSA-N 0 0 320.364 2.481 10 30 DEEERN Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCCOC2)CCC[N@@H+]1C ZINC000329166058 404251285 /nfs/dbraw/zinc/25/12/85/404251285.db2.gz HOJICKFSKBQDNR-OFQRWUPVSA-N 0 0 320.437 2.186 10 30 DEEERN CC1(CNC([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CCCCCC1 ZINC000329211860 404265082 /nfs/dbraw/zinc/26/50/82/404265082.db2.gz ZNHXJGVHBJKIET-UONOGXRCSA-N 0 0 321.425 2.082 10 30 DEEERN CC(C)n1ncc2c1C[C@H](NC(=O)[C@@H](C)n1cncn1)CC2 ZINC000329212450 404265451 /nfs/dbraw/zinc/26/54/51/404265451.db2.gz ZXONGWKPRFRDNH-DGCLKSJQSA-N 0 0 302.382 2.131 10 30 DEEERN C[C@@H]1CC(=O)CC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000329248501 404277460 /nfs/dbraw/zinc/27/74/60/404277460.db2.gz WQYFCRXVPXQVQS-FMKGYKFTSA-N 0 0 315.435 2.304 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(F)c(F)cc1OC ZINC000290852841 404337228 /nfs/dbraw/zinc/33/72/28/404337228.db2.gz RFEYZAFXAIXAAD-UHFFFAOYSA-N 0 0 312.316 2.337 10 30 DEEERN C=CCOc1ccccc1CN(CCO)Cc1ccnn1CC ZINC000355556959 404349250 /nfs/dbraw/zinc/34/92/50/404349250.db2.gz BTSUCAKZVHBBIL-UHFFFAOYSA-N 0 0 315.417 2.462 10 30 DEEERN COCCn1cc2c(n1)[C@H](NC(=O)[C@@]1(C)CCCO1)CCC2 ZINC000329477581 404350265 /nfs/dbraw/zinc/35/02/65/404350265.db2.gz BZHWKZJJLPECOX-CZUORRHYSA-N 0 0 307.394 2.433 10 30 DEEERN C#Cc1ccc(CNC(=O)NCC2([C@H](O)C(C)C)CC2)cc1 ZINC000296561970 404308538 /nfs/dbraw/zinc/30/85/38/404308538.db2.gz CSAKAAFLECPLNH-MRXNPFEDSA-N 0 0 300.402 2.264 10 30 DEEERN C=CCOc1ccc(CNC(=O)c2ccc3nnn(C)c3c2)cc1 ZINC000355722575 404362747 /nfs/dbraw/zinc/36/27/47/404362747.db2.gz CKMJAEVCUZGJCK-UHFFFAOYSA-N 0 0 322.368 2.463 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000342164930 404413653 /nfs/dbraw/zinc/41/36/53/404413653.db2.gz PZXVZOLTZCYVNU-LBPRGKRZSA-N 0 0 319.792 2.440 10 30 DEEERN C=CCn1c(Cc2ccsc2)nnc1N1CCOC[C@H]1C ZINC000350597943 404421454 /nfs/dbraw/zinc/42/14/54/404421454.db2.gz LLNVNYZLSSBLLQ-GFCCVEGCSA-N 0 0 304.419 2.342 10 30 DEEERN CN(C[C@@H]1CC[N@H+](C)C1)c1ncc(Br)cc1C#N ZINC000297244212 404516257 /nfs/dbraw/zinc/51/62/57/404516257.db2.gz UYFIGLDNUOXZAV-SNVBAGLBSA-N 0 0 309.211 2.104 10 30 DEEERN C[C@H](COCc1ccccc1)NC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000329769314 404447238 /nfs/dbraw/zinc/44/72/38/404447238.db2.gz HQCLKLSUKZAHRP-BMFZPTHFSA-N 0 0 304.390 2.369 10 30 DEEERN C=CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)cc(F)c1C ZINC000351471305 404588607 /nfs/dbraw/zinc/58/86/07/404588607.db2.gz IYEVQFKVRNEAKE-SECBINFHSA-N 0 0 315.366 2.164 10 30 DEEERN Cc1cc(C)c2ncc(C#N)c(N3CCN4CCOC[C@H]4C3)c2c1 ZINC000364883120 404541553 /nfs/dbraw/zinc/54/15/53/404541553.db2.gz OEKBVAXDAQIMTJ-MRXNPFEDSA-N 0 0 322.412 2.244 10 30 DEEERN Cc1cc(C)c2ncc(C#N)c(N3CCN4CCOC[C@@H]4C3)c2c1 ZINC000364883118 404542280 /nfs/dbraw/zinc/54/22/80/404542280.db2.gz OEKBVAXDAQIMTJ-INIZCTEOSA-N 0 0 322.412 2.244 10 30 DEEERN Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)C2CCCC2)CC(=O)N1C ZINC000330134293 404560978 /nfs/dbraw/zinc/56/09/78/404560978.db2.gz MJLKWUJDUHTDLN-CZUORRHYSA-N 0 0 318.421 2.455 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)CCCCO ZINC000297894714 404652127 /nfs/dbraw/zinc/65/21/27/404652127.db2.gz HNVACLUXCSEBTK-DOTOQJQBSA-N 0 0 302.418 2.471 10 30 DEEERN C=CCCCCNC(=O)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000351583181 404655318 /nfs/dbraw/zinc/65/53/18/404655318.db2.gz SDKOXBJRHANNNK-UHFFFAOYSA-N 0 0 324.446 2.136 10 30 DEEERN C#Cc1ccc(CNC(=O)N[C@H](CC)[C@H](O)C(F)(F)F)cc1 ZINC000297718605 404601414 /nfs/dbraw/zinc/60/14/14/404601414.db2.gz SISCEPFNZFVNDF-OLZOCXBDSA-N 0 0 314.307 2.169 10 30 DEEERN N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCO[C@H]3CCC[C@H]32)cc1 ZINC000330294872 404617779 /nfs/dbraw/zinc/61/77/79/404617779.db2.gz IXSUQTRILUVKGR-BBWFWOEESA-N 0 0 309.369 2.020 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC1(O)CCCCC1 ZINC000330326377 404627183 /nfs/dbraw/zinc/62/71/83/404627183.db2.gz KBGNVBZYBNFCQY-TZMCWYRMSA-N 0 0 307.394 2.149 10 30 DEEERN C[C@@H]1CCOCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000365552284 404689244 /nfs/dbraw/zinc/68/92/44/404689244.db2.gz AEKRZGOVLZZJKF-PBHICJAKSA-N 0 0 313.401 2.164 10 30 DEEERN Cc1ccc(C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)cc1C#N ZINC000374143395 404697331 /nfs/dbraw/zinc/69/73/31/404697331.db2.gz MGDIMTFQRXNAAF-MRXNPFEDSA-N 0 0 319.364 2.486 10 30 DEEERN C#Cc1cccc(NC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000365622217 404701755 /nfs/dbraw/zinc/70/17/55/404701755.db2.gz TWNXDOVCHBGIPL-MRXNPFEDSA-N 0 0 323.400 2.192 10 30 DEEERN C=CC[C@H](C(=O)NCCc1nnc2n1CCC2)c1ccccc1 ZINC000357786976 404743478 /nfs/dbraw/zinc/74/34/78/404743478.db2.gz ILZNISMSGNJYFM-HNNXBMFYSA-N 0 0 310.401 2.243 10 30 DEEERN C=CCOc1ccc(CN(CC)Cc2cn(C)nn2)cc1OC ZINC000359311355 404789890 /nfs/dbraw/zinc/78/98/90/404789890.db2.gz SZIQSZDHVRYRQV-UHFFFAOYSA-N 0 0 316.405 2.411 10 30 DEEERN C#Cc1ccc(CN2CCCC[C@H]2CCS(C)(=O)=O)cc1 ZINC000366531905 404808840 /nfs/dbraw/zinc/80/88/40/404808840.db2.gz BEUIWAJWYHJTKP-KRWDZBQOSA-N 0 0 305.443 2.457 10 30 DEEERN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)[C@H](C)C#N ZINC000360334950 404825910 /nfs/dbraw/zinc/82/59/10/404825910.db2.gz FKJWPQBYQNMVBN-KDOFPFPSSA-N 0 0 314.385 2.313 10 30 DEEERN C=CC[C@H](C)NC(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000360467433 404828906 /nfs/dbraw/zinc/82/89/06/404828906.db2.gz FVTMDSDQIUVPEI-GOEBONIOSA-N 0 0 304.390 2.440 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1CCCN(c2cccnn2)CC1 ZINC000366986869 404889910 /nfs/dbraw/zinc/88/99/10/404889910.db2.gz CLDCJBMOQCFULD-AWEZNQCLSA-N 0 0 303.410 2.053 10 30 DEEERN C=CCc1cc(C(=O)N2CC[C@H](O)C2(C)C)cc(OC)c1OC ZINC000361176203 404959225 /nfs/dbraw/zinc/95/92/25/404959225.db2.gz HTJAQRVXBNCMDZ-HNNXBMFYSA-N 0 0 319.401 2.418 10 30 DEEERN C=CCOC[C@@H](NC(=O)c1c(C)oc2ccccc21)C(=O)OC ZINC000435142165 404959313 /nfs/dbraw/zinc/95/93/13/404959313.db2.gz FGUYCBZJDGAQJK-CYBMUJFWSA-N 0 0 317.341 2.215 10 30 DEEERN C=CCOC[C@H](NC1CC(c2ccccc2F)C1)C(=O)OC ZINC000361109165 404921304 /nfs/dbraw/zinc/92/13/04/404921304.db2.gz MHPCCEIHSHCLRK-ZUEPYMLJSA-N 0 0 307.365 2.406 10 30 DEEERN C[C@H]1[C@@H](C(F)(F)F)CCN1S(=O)(=O)CC1(CC#N)CC1 ZINC000451514536 405010121 /nfs/dbraw/zinc/01/01/21/405010121.db2.gz ZVEHQAQUPZPSAZ-UWVGGRQHSA-N 0 0 310.341 2.283 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)CO[C@H]1CCCc2ccccc21 ZINC000435795506 405014858 /nfs/dbraw/zinc/01/48/58/405014858.db2.gz DOLDIBYAAKTQSO-PBHICJAKSA-N 0 0 303.402 2.381 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN[C@@H](Cc1ccc(C)cc1)C(=O)OC ZINC000424142351 405019797 /nfs/dbraw/zinc/01/97/97/405019797.db2.gz PNKSXIMHPCNJCX-ULQDDVLXSA-N 0 0 303.402 2.260 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1cccc(N(C)C)c1 ZINC000435601467 404994570 /nfs/dbraw/zinc/99/45/70/404994570.db2.gz MVNCXAWFBLZLDB-CZUORRHYSA-N 0 0 324.446 2.012 10 30 DEEERN N#Cc1ccc(CN2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1F ZINC000408046660 405097380 /nfs/dbraw/zinc/09/73/80/405097380.db2.gz XSMLUMHAHZGVKL-CGTJXYLNSA-N 0 0 318.392 2.449 10 30 DEEERN C=CCn1cc(CN[C@H]2CCc3cc(F)c(OC)cc32)nn1 ZINC000424293010 405060092 /nfs/dbraw/zinc/06/00/92/405060092.db2.gz HVYVZPZNTKBYTJ-HNNXBMFYSA-N 0 0 302.353 2.389 10 30 DEEERN C[C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC[S@@]1=O ZINC000407956858 405075662 /nfs/dbraw/zinc/07/56/62/405075662.db2.gz XFQCHEALEOEXJS-FPVGNUTFSA-N 0 0 317.336 2.319 10 30 DEEERN Cc1c(Cl)cnc(N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c1C#N ZINC000408172639 405130748 /nfs/dbraw/zinc/13/07/48/405130748.db2.gz YWEZPADTZOIVAC-YUELXQCFSA-N 0 0 321.808 2.281 10 30 DEEERN CC#CCCNC(=O)N[C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000361530492 405117826 /nfs/dbraw/zinc/11/78/26/405117826.db2.gz JWIRSWZKGQLBON-MRXNPFEDSA-N 0 0 314.364 2.361 10 30 DEEERN C=CCCn1cc(C(=O)Nc2ccnn2[C@H](C)C2CC2)nn1 ZINC000424647807 405138508 /nfs/dbraw/zinc/13/85/08/405138508.db2.gz RGOYYDMBOWMMMU-LLVKDONJSA-N 0 0 300.366 2.274 10 30 DEEERN N#C[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCN1C1CC1 ZINC000367757437 405144444 /nfs/dbraw/zinc/14/44/44/405144444.db2.gz YZXOZPVULZSYRO-KRWDZBQOSA-N 0 0 320.396 2.054 10 30 DEEERN C=CCC1(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)CCOCC1 ZINC000424736355 405163087 /nfs/dbraw/zinc/16/30/87/405163087.db2.gz KCAURIPNSUGJQF-HOTGVXAUSA-N 0 0 301.386 2.134 10 30 DEEERN C=CCC1(C(=O)N[C@@H]([C@@H](CO)C2CC2)C2CC2)CCOCC1 ZINC000424865379 405200826 /nfs/dbraw/zinc/20/08/26/405200826.db2.gz DBTFLWIRZQGZIS-JKSUJKDBSA-N 0 0 307.434 2.273 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cncn1CC ZINC000416628431 405201699 /nfs/dbraw/zinc/20/16/99/405201699.db2.gz GGFZMANSMXNOMU-OAHLLOKOSA-N 0 0 319.430 2.369 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000437492248 405201892 /nfs/dbraw/zinc/20/18/92/405201892.db2.gz CFKISDPZTUYCKA-WMZOPIPTSA-N 0 0 313.397 2.455 10 30 DEEERN C=CCOCCCC(=O)NCC(=O)C1CCC(F)(F)CC1 ZINC000424883892 405205403 /nfs/dbraw/zinc/20/54/03/405205403.db2.gz YSSLGRRMSFBWNU-UHFFFAOYSA-N 0 0 303.349 2.480 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC(OC(F)F)C1 ZINC000437600610 405208964 /nfs/dbraw/zinc/20/89/64/405208964.db2.gz FPVXTFBLTJPHLC-CQSZACIVSA-N 0 0 324.327 2.412 10 30 DEEERN C=CCn1cc(CNC(=O)CCc2ccccc2OCC)nn1 ZINC000424925831 405213992 /nfs/dbraw/zinc/21/39/92/405213992.db2.gz QNPHYYAGOOURNE-UHFFFAOYSA-N 0 0 314.389 2.112 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(OCCCOC)c1 ZINC000424929444 405214140 /nfs/dbraw/zinc/21/41/40/405214140.db2.gz BIPNAKCNIUKJLB-RDJZCZTQSA-N 0 0 319.401 2.423 10 30 DEEERN Cc1cc(N[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c(C#N)cn1 ZINC000425255453 405264248 /nfs/dbraw/zinc/26/42/48/405264248.db2.gz GCLJGHZOPOTYCG-YOEHRIQHSA-N 0 0 320.396 2.285 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCOc1ccc(C)cc1 ZINC000425389029 405283697 /nfs/dbraw/zinc/28/36/97/405283697.db2.gz TVXTYDRQBHYTJS-HOCLYGCPSA-N 0 0 304.390 2.264 10 30 DEEERN C=CCN(CC=C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425407761 405285701 /nfs/dbraw/zinc/28/57/01/405285701.db2.gz QADPCIAAIZRIJN-UHFFFAOYSA-N 0 0 300.449 2.172 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000425411873 405286685 /nfs/dbraw/zinc/28/66/85/405286685.db2.gz DVSHZNAWGZLOBU-IRXDYDNUSA-N 0 0 317.433 2.009 10 30 DEEERN C=C(C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000452719640 405232836 /nfs/dbraw/zinc/23/28/36/405232836.db2.gz CFXNSXIGOZDWGU-AWEZNQCLSA-N 0 0 302.374 2.079 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC)c(C)c1 ZINC000425797927 405320713 /nfs/dbraw/zinc/32/07/13/405320713.db2.gz XNTLGFNDZQBAIQ-HOCLYGCPSA-N 0 0 316.401 2.203 10 30 DEEERN C=CCn1c(N(C)CC(F)(F)F)nnc1[C@]1(C)CCCO1 ZINC000453441953 405291273 /nfs/dbraw/zinc/29/12/73/405291273.db2.gz OZVFISOIWIOJEV-LBPRGKRZSA-N 0 0 304.316 2.488 10 30 DEEERN C=CCCn1cc(C(=O)N(CCC(=O)OCC)C(C)(C)C)nn1 ZINC000425560168 405303379 /nfs/dbraw/zinc/30/33/79/405303379.db2.gz JBMKSUBGZZSOAO-UHFFFAOYSA-N 0 0 322.409 2.048 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(OC)cc(OC)c1C ZINC000455390560 405403887 /nfs/dbraw/zinc/40/38/87/405403887.db2.gz XZBXRPJUYXOUCC-OCCSQVGLSA-N 0 0 306.362 2.477 10 30 DEEERN Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(C#N)n2C)c1C ZINC000448579414 405422576 /nfs/dbraw/zinc/42/25/76/405422576.db2.gz IWOVZVBEEDOQJE-UHFFFAOYSA-N 0 0 324.384 2.224 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2COCC2(C)C)cc1 ZINC000454535749 405360093 /nfs/dbraw/zinc/36/00/93/405360093.db2.gz ZIYSSBKJNRQFAC-CQSZACIVSA-N 0 0 317.389 2.149 10 30 DEEERN C=CCOCC(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 ZINC000445930662 405363186 /nfs/dbraw/zinc/36/31/86/405363186.db2.gz UNCSDMPXNLYLTB-HNNXBMFYSA-N 0 0 319.401 2.229 10 30 DEEERN Cc1nc2ccccc2n1CCCNC(=O)c1ccc(C#N)n1C ZINC000448696091 405437883 /nfs/dbraw/zinc/43/78/83/405437883.db2.gz DNWJWGKMIOSCOY-UHFFFAOYSA-N 0 0 321.384 2.375 10 30 DEEERN Cc1nn(C)cc1CC(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000448943635 405467041 /nfs/dbraw/zinc/46/70/41/405467041.db2.gz AAPLUWXPMSTLEJ-GOSISDBHSA-N 0 0 310.401 2.302 10 30 DEEERN C=CC(C)(C)CNC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C ZINC000456114842 405504447 /nfs/dbraw/zinc/50/44/47/405504447.db2.gz JRCPDFTUKLUKJK-AWEZNQCLSA-N 0 0 303.406 2.164 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000580188893 405604157 /nfs/dbraw/zinc/60/41/57/405604157.db2.gz YEPZSHVMUWRQPW-YJNKXOJESA-N 0 0 310.438 2.016 10 30 DEEERN C=CCCCCCNC(=O)CN1C(=O)c2ccc(C)cc2C1=O ZINC000580446515 405618994 /nfs/dbraw/zinc/61/89/94/405618994.db2.gz NWMNAVRGPRDOFH-UHFFFAOYSA-N 0 0 314.385 2.454 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCc1nnn(C(C)(C)C)n1 ZINC000633337399 405577619 /nfs/dbraw/zinc/57/76/19/405577619.db2.gz BIPTUERQOCLRJH-UHFFFAOYSA-N 0 0 308.430 2.220 10 30 DEEERN C=CCC[C@@H](NCc1cnc2ccc(C#N)cn12)C(=O)OCC ZINC000449659140 405668718 /nfs/dbraw/zinc/66/87/18/405668718.db2.gz VCGXZGMBJGHCEB-OAHLLOKOSA-N 0 0 312.373 2.193 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000558675031 405686414 /nfs/dbraw/zinc/68/64/14/405686414.db2.gz IHFYJVMISGYEEQ-UHFFFAOYSA-N 0 0 317.437 2.177 10 30 DEEERN C=C(C)CCNC(=O)NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000459005730 405689479 /nfs/dbraw/zinc/68/94/79/405689479.db2.gz QRHFDQALRDPKMA-CYBMUJFWSA-N 0 0 312.360 2.381 10 30 DEEERN COc1cc(C#N)ccc1NC(=O)C(=O)N1CCCC12CCC2 ZINC000582161411 405680712 /nfs/dbraw/zinc/68/07/12/405680712.db2.gz IEKJIIKZSLXGSP-UHFFFAOYSA-N 0 0 313.357 2.050 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1COCC1(C)C ZINC000459061536 405721910 /nfs/dbraw/zinc/72/19/10/405721910.db2.gz GBHJXGPSKWGFPC-HNNXBMFYSA-N 0 0 322.405 2.285 10 30 DEEERN C=CCOc1ccc(CC(=O)NCC[C@@H](C)[S@](C)=O)cc1 ZINC000450153061 405759579 /nfs/dbraw/zinc/75/95/79/405759579.db2.gz SCTSBKOTBBFGJV-ASSNKEHSSA-N 0 0 309.431 2.067 10 30 DEEERN C=CCN(C(=O)C[C@@H](n1ccnc1)C(F)(F)F)[C@@H](C)COC ZINC000636161540 405784108 /nfs/dbraw/zinc/78/41/08/405784108.db2.gz WKXOOTABAIANJY-NWDGAFQWSA-N 0 0 319.327 2.426 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCC=C(c2cnn(C)c2)C1)OCC ZINC000636165322 405787088 /nfs/dbraw/zinc/78/70/88/405787088.db2.gz ADZMSWGGRACNFZ-MRXNPFEDSA-N 0 0 303.406 2.407 10 30 DEEERN C=C[C@@](C)(O)C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000633731632 405813597 /nfs/dbraw/zinc/81/35/97/405813597.db2.gz RVOHPTMYNJANLZ-SSDOTTSWSA-N 0 0 317.239 2.068 10 30 DEEERN COCCN(Cc1cccnc1)C(=O)Cc1cccc(C#N)c1 ZINC000530674893 405842808 /nfs/dbraw/zinc/84/28/08/405842808.db2.gz WPFKDLFZPRVXNH-UHFFFAOYSA-N 0 0 309.369 2.171 10 30 DEEERN C=CCCC(C)(C)CNC(=O)[C@@](C)(O)Cn1c(C)cccc1=O ZINC000633965425 405933789 /nfs/dbraw/zinc/93/37/89/405933789.db2.gz SNAAEGNGEQQTIL-SFHVURJKSA-N 0 0 320.433 2.016 10 30 DEEERN CN(C)C(=O)c1cccc(CNC(=O)Cc2cccc(C#N)c2)c1 ZINC000531386820 405952165 /nfs/dbraw/zinc/95/21/65/405952165.db2.gz VSKHSRJIYQKZEG-UHFFFAOYSA-N 0 0 321.380 2.119 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1cccc(N(C)C)c1 ZINC000636510731 405993303 /nfs/dbraw/zinc/99/33/03/405993303.db2.gz SOKOHHCQAFLIFN-UHFFFAOYSA-N 0 0 317.433 2.087 10 30 DEEERN N#CC1CCC(CNC(=O)NC[C@@H](CO)Cc2ccco2)CC1 ZINC000566657865 406090537 /nfs/dbraw/zinc/09/05/37/406090537.db2.gz ABUFRYXYRNYVLW-NRXISQOPSA-N 0 0 319.405 2.060 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCc1cc(F)cc(F)c1 ZINC000636643943 406040422 /nfs/dbraw/zinc/04/04/22/406040422.db2.gz YVBOKWUPXTZEEK-UHFFFAOYSA-N 0 0 324.371 2.342 10 30 DEEERN C=CCCO[C@@H](C)C(=O)Nc1ncc(C(=O)OC)cc1Cl ZINC000564872428 406067372 /nfs/dbraw/zinc/06/73/72/406067372.db2.gz LCGSEIPTJTWCLM-VIFPVBQESA-N 0 0 312.753 2.441 10 30 DEEERN C=CCN(C)C(=O)C(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000460010333 406073428 /nfs/dbraw/zinc/07/34/28/406073428.db2.gz JYMFRZRDDGXJPJ-HNNXBMFYSA-N 0 0 304.365 2.004 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000637053117 406162971 /nfs/dbraw/zinc/16/29/71/406162971.db2.gz IOYIHNLRXRABOQ-HUUCEWRRSA-N 0 0 300.402 2.329 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1ncon1 ZINC000479582968 406167727 /nfs/dbraw/zinc/16/77/27/406167727.db2.gz LFDXLYWLGFKIRL-SMDDNHRTSA-N 0 0 314.345 2.222 10 30 DEEERN C=CCCOCCNC(=O)N[C@](C)(CO)Cc1ccccc1F ZINC000636983257 406141721 /nfs/dbraw/zinc/14/17/21/406141721.db2.gz GPDZZFVFATWZMB-KRWDZBQOSA-N 0 0 324.396 2.011 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C1CC1)C1CCOCC1 ZINC000636993698 406143801 /nfs/dbraw/zinc/14/38/01/406143801.db2.gz SCWDQPDOLUIYHA-HNNXBMFYSA-N 0 0 322.449 2.026 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000637000020 406145569 /nfs/dbraw/zinc/14/55/69/406145569.db2.gz QMUQNWGIVFMLTK-CVEARBPZSA-N 0 0 322.449 2.313 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](CC)[C@H]1CCCCO1 ZINC000637007815 406147760 /nfs/dbraw/zinc/14/77/60/406147760.db2.gz SWSPMYFQLJJKRD-ZIAGYGMSSA-N 0 0 310.438 2.169 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NC2CCN(c3cccnn3)CC2)C1 ZINC000637084747 406171825 /nfs/dbraw/zinc/17/18/25/406171825.db2.gz ACNZXOHEJUQYNZ-CQSZACIVSA-N 0 0 315.421 2.053 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NC2CCN(c3cccnn3)CC2)C1 ZINC000637084746 406171879 /nfs/dbraw/zinc/17/18/79/406171879.db2.gz ACNZXOHEJUQYNZ-AWEZNQCLSA-N 0 0 315.421 2.053 10 30 DEEERN C=C1CC(C)(C(=O)N2CCN(c3cccc(F)c3)C(=O)C2)C1 ZINC000632483775 406156927 /nfs/dbraw/zinc/15/69/27/406156927.db2.gz KYSXVEUWLNQEFK-UHFFFAOYSA-N 0 0 302.349 2.357 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC[C@@H]1CCCOC1 ZINC000637039154 406158036 /nfs/dbraw/zinc/15/80/36/406158036.db2.gz VCWFWSXGQXELPX-ARFHVFGLSA-N 0 0 322.449 2.170 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCCC[C@H]1C[C@H](C)O ZINC000632541160 406175861 /nfs/dbraw/zinc/17/58/61/406175861.db2.gz KAUIPWZGFZWZCC-GJZGRUSLSA-N 0 0 324.465 2.247 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1c[nH]c(=O)s1 ZINC000632544286 406176548 /nfs/dbraw/zinc/17/65/48/406176548.db2.gz BFKALXYCMUIWRS-ZJUUUORDSA-N 0 0 302.421 2.262 10 30 DEEERN C=CCCCNC(=O)C(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000519075357 406176725 /nfs/dbraw/zinc/17/67/25/406176725.db2.gz NNQWVRBNSUXBSL-CQSZACIVSA-N 0 0 313.401 2.084 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@H](C(F)F)CC1 ZINC000637117548 406181407 /nfs/dbraw/zinc/18/14/07/406181407.db2.gz VMAAVIQCXQPTNL-AVGNSLFASA-N 0 0 318.364 2.033 10 30 DEEERN C=C(C)CN(C)C(=O)Nc1cc2c(cc1C(=O)OC)OCO2 ZINC000486995182 406196478 /nfs/dbraw/zinc/19/64/78/406196478.db2.gz GVTVERRPKQXFFG-UHFFFAOYSA-N 0 0 306.318 2.242 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@@H](C)c1ccccn1 ZINC000637193564 406206662 /nfs/dbraw/zinc/20/66/62/406206662.db2.gz CCFWXWZRKGSYKP-CQSZACIVSA-N 0 0 317.433 2.410 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1C[C@H](C)[C@H](C)[C@H]1C ZINC000569085665 406224550 /nfs/dbraw/zinc/22/45/50/406224550.db2.gz SKKQVDHPANIBJE-FQUUOJAGSA-N 0 0 306.410 2.033 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000637322138 406257678 /nfs/dbraw/zinc/25/76/78/406257678.db2.gz QBUFJKBFIPDXAW-CYBMUJFWSA-N 0 0 322.430 2.417 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCc1nnc(C(F)F)o1 ZINC000632841021 406285590 /nfs/dbraw/zinc/28/55/90/406285590.db2.gz QPHBLRWJFORPOW-JOYOIKCWSA-N 0 0 315.320 2.037 10 30 DEEERN N#Cc1cccc(Cc2nc(Cc3ccc(C(N)=O)cc3)no2)c1 ZINC000545628536 406322695 /nfs/dbraw/zinc/32/26/95/406322695.db2.gz ZWSZNCVRAKHSEI-UHFFFAOYSA-N 0 0 318.336 2.222 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000570097851 406345070 /nfs/dbraw/zinc/34/50/70/406345070.db2.gz DZYAGXUMUSACFH-MRXNPFEDSA-N 0 0 314.389 2.446 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000488857957 406355362 /nfs/dbraw/zinc/35/53/62/406355362.db2.gz CODCAZDBPLXNLY-NSHDSACASA-N 0 0 317.780 2.496 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1 ZINC000633020677 406355560 /nfs/dbraw/zinc/35/55/60/406355560.db2.gz YDZNRNFFBXSOKI-CQSZACIVSA-N 0 0 305.422 2.139 10 30 DEEERN CCS(=O)(=O)c1cccc(C(=O)N2CCC(CC#N)CC2)c1 ZINC000541049407 406299495 /nfs/dbraw/zinc/29/94/95/406299495.db2.gz PKFNITPBNAWQPZ-UHFFFAOYSA-N 0 0 320.414 2.246 10 30 DEEERN CC#CCNC(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000633142581 406394376 /nfs/dbraw/zinc/39/43/76/406394376.db2.gz OYZVHXTXXAJQOR-KWCYVHTRSA-N 0 0 319.202 2.410 10 30 DEEERN C=C[C@H]1CCCCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000489512070 406414181 /nfs/dbraw/zinc/41/41/81/406414181.db2.gz NWHAMSVHMFARDA-HNNXBMFYSA-N 0 0 304.415 2.372 10 30 DEEERN C=CC[C@@H](C(=O)N(C)C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000488996371 406368501 /nfs/dbraw/zinc/36/85/01/406368501.db2.gz YJIGRCCVEFWAPB-GOEBONIOSA-N 0 0 321.442 2.239 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCSC[C@H]1CCO ZINC000637622026 406369310 /nfs/dbraw/zinc/36/93/10/406369310.db2.gz WUTDOYLIAGLDNS-CYBMUJFWSA-N 0 0 300.468 2.488 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCC[C@H]2C2CC2)C1=O ZINC000570334098 406378310 /nfs/dbraw/zinc/37/83/10/406378310.db2.gz OQNHTZJZNYOJKG-JYJNAYRXSA-N 0 0 304.434 2.448 10 30 DEEERN N#Cc1cnccc1NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000547824188 406451281 /nfs/dbraw/zinc/45/12/81/406451281.db2.gz FFJCRYNTGQIWPI-UHFFFAOYSA-N 0 0 318.262 2.049 10 30 DEEERN Cc1ccccc1C[C@@H](CO)NC(=O)Cc1cccc(C#N)c1 ZINC000526060204 406540122 /nfs/dbraw/zinc/54/01/22/406540122.db2.gz KIIAHUUIRLDKFZ-SFHVURJKSA-N 0 0 308.381 2.129 10 30 DEEERN C=C(C)COc1cccc(NC(=O)[C@@]2(C)CCN(C)C2=O)c1 ZINC000635482710 406556096 /nfs/dbraw/zinc/55/60/96/406556096.db2.gz MKKGCZSKSAMBCL-QGZVFWFLSA-N 0 0 302.374 2.448 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1ccccc1F)[C@H](C)O ZINC000574330143 406781563 /nfs/dbraw/zinc/78/15/63/406781563.db2.gz MNGVWWKMHXFMKE-GVAFMPQTSA-N 0 0 322.380 2.138 10 30 DEEERN C[C@@H]1C(c2cccs2)=[N+]([O-])[C@@](C)(C(=O)c2cccs2)N1O ZINC000575330124 406806732 /nfs/dbraw/zinc/80/67/32/406806732.db2.gz RWZRIGPHTPWRRH-PWHMCBBRSA-N 0 0 323.419 2.098 10 30 DEEERN C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@]2(CNC(=O)C2)C1 ZINC000554610831 406818004 /nfs/dbraw/zinc/81/80/04/406818004.db2.gz SYGAVVHKOQKPMB-GUYCJALGSA-N 0 0 317.437 2.084 10 30 DEEERN CCOC(=O)Cc1ccc([N+](=O)[O-])c(Br)c1C#N ZINC000575383348 406807820 /nfs/dbraw/zinc/80/78/20/406807820.db2.gz BHGAKBYNCQVZQR-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN CCOC(=O)Cc1ccc([N+](=O)[O-])c(OC(F)F)c1C#N ZINC000575387209 406807848 /nfs/dbraw/zinc/80/78/48/406807848.db2.gz CCEXSVIYNIFAKU-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN CCOC(=O)Cc1ccc(C=O)c(OC(F)(F)F)c1C#N ZINC000575390921 406808641 /nfs/dbraw/zinc/80/86/41/406808641.db2.gz JJKIZUBXFPQDSN-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN COC(=O)Cc1c(OC(F)(F)F)cc(C#N)cc1[N+](=O)[O-] ZINC000575395791 406809125 /nfs/dbraw/zinc/80/91/25/406809125.db2.gz QXZYCOFXCMQKTP-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccc2c(n1)CCC2 ZINC000575758735 406826552 /nfs/dbraw/zinc/82/65/52/406826552.db2.gz HZZHYGRAAHRQIS-UHFFFAOYSA-N 0 0 301.390 2.371 10 30 DEEERN C=CCCCCCNC(=O)N1CCC(Cn2ccnn2)CC1 ZINC000575759115 406826706 /nfs/dbraw/zinc/82/67/06/406826706.db2.gz MPNRZBAYTCKBQP-UHFFFAOYSA-N 0 0 305.426 2.446 10 30 DEEERN C=CCCCCCNC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 ZINC000577125014 406835525 /nfs/dbraw/zinc/83/55/25/406835525.db2.gz WKHDROWUQAHMRY-UONOGXRCSA-N 0 0 314.451 2.094 10 30 DEEERN Cc1ncsc1CNC(=O)c1ccc(C#CCO)c(Cl)c1 ZINC000128884314 196000716 /nfs/dbraw/zinc/00/07/16/196000716.db2.gz HSQKWXPLXBRYAT-UHFFFAOYSA-N 0 0 320.801 2.379 10 30 DEEERN C=CC[C@H](C)NC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000129217122 196030333 /nfs/dbraw/zinc/03/03/33/196030333.db2.gz RLEVKZZLKOCSGF-STQMWFEESA-N 0 0 314.389 2.049 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000129477543 196051262 /nfs/dbraw/zinc/05/12/62/196051262.db2.gz ZZPKLWDSMWEBOG-AWEZNQCLSA-N 0 0 324.359 2.410 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cccnc1OC(C)C ZINC000130595290 196094495 /nfs/dbraw/zinc/09/44/95/196094495.db2.gz YNZIBNJSBDLXLS-UHFFFAOYSA-N 0 0 305.378 2.232 10 30 DEEERN N#Cc1ccc(NC(=O)[C@H](N)c2cccs2)c([N+](=O)[O-])c1 ZINC000130633847 196097358 /nfs/dbraw/zinc/09/73/58/196097358.db2.gz UVZFKNHDLLZLSI-GFCCVEGCSA-N 0 0 302.315 2.166 10 30 DEEERN COc1cc(OC)c(OC)cc1NC(=O)c1cc(C#N)cn1C ZINC000131206060 196149893 /nfs/dbraw/zinc/14/98/93/196149893.db2.gz SPWKZQPPQKINDX-UHFFFAOYSA-N 0 0 315.329 2.175 10 30 DEEERN Cc1cccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1C#N ZINC000131534378 196178058 /nfs/dbraw/zinc/17/80/58/196178058.db2.gz WRZJULXQACFESG-LSDHHAIUSA-N 0 0 320.414 2.199 10 30 DEEERN CC(C)(C)S(=O)(=O)Nc1cc(Cl)ccc1C#CCO ZINC000131977399 196215714 /nfs/dbraw/zinc/21/57/14/196215714.db2.gz LPKOIHDSKBVNAM-UHFFFAOYSA-N 0 0 301.795 2.224 10 30 DEEERN CC(C)CNC(=O)N1CCC[C@@H](C(=O)NC2(C#N)CCCC2)C1 ZINC000132961047 196299818 /nfs/dbraw/zinc/29/98/18/196299818.db2.gz GSFXKLONAFNKLG-CQSZACIVSA-N 0 0 320.437 2.017 10 30 DEEERN N#Cc1cc(Br)ccc1Nc1cc(N)nc(N)n1 ZINC000133037720 196306991 /nfs/dbraw/zinc/30/69/91/196306991.db2.gz ROKIYLYMJJVTGX-UHFFFAOYSA-N 0 0 305.139 2.019 10 30 DEEERN C=C(Br)CNC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000134352343 196381101 /nfs/dbraw/zinc/38/11/01/196381101.db2.gz QEAJIHUJCXYPAU-UHFFFAOYSA-N 0 0 303.087 2.372 10 30 DEEERN N#C[C@]1([C@@H](O)c2c(Cl)cccc2Cl)CCS(=O)(=O)C1 ZINC000134627458 196408504 /nfs/dbraw/zinc/40/85/04/196408504.db2.gz HJRFTHXSYPDQFL-NWDGAFQWSA-N 0 0 320.197 2.355 10 30 DEEERN C#CC[C@H](C)NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000135342903 196467086 /nfs/dbraw/zinc/46/70/86/196467086.db2.gz FURAJSPCMSOFOR-QMMMGPOBSA-N 0 0 316.766 2.247 10 30 DEEERN CC#CCNC(=O)N[C@@H](CC(=O)OCC)c1ccccc1C ZINC000135971823 196512594 /nfs/dbraw/zinc/51/25/94/196512594.db2.gz YILFEOGNMQMICY-HNNXBMFYSA-N 0 0 302.374 2.312 10 30 DEEERN C=C[C@H](CC(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000136088512 196519752 /nfs/dbraw/zinc/51/97/52/196519752.db2.gz LLBCTBLPAIRSSH-SJLPKXTDSA-N 0 0 314.429 2.279 10 30 DEEERN Cc1ccc(-n2cccn2)cc1NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000190885767 225096438 /nfs/dbraw/zinc/09/64/38/225096438.db2.gz RRKPFUNZXSWNPF-SFHVURJKSA-N 0 0 323.400 2.401 10 30 DEEERN Cc1cc(CNC(=O)N2C[C@@H]3COC[C@H](C2)O3)ccc1Cl ZINC000328732712 225790249 /nfs/dbraw/zinc/79/02/49/225790249.db2.gz JFHCPDSDWDQVQW-BETUJISGSA-N 0 0 310.781 2.162 10 30 DEEERN C[C@H](NC(=O)N1C[C@@H]2COC[C@H](C1)O2)c1cccc(Cl)c1 ZINC000328728742 225790776 /nfs/dbraw/zinc/79/07/76/225790776.db2.gz GYKHGGUXPBHEPG-LEWSCRJBSA-N 0 0 310.781 2.415 10 30 DEEERN Cc1[nH]n(C)c2nnc(NC(=O)C[C@H]3CCCCC(=O)N3)c1-2 ZINC000328829720 225803330 /nfs/dbraw/zinc/80/33/30/225803330.db2.gz QXXOYLURCBLUNR-SECBINFHSA-N 0 0 304.354 2.482 10 30 DEEERN O=C(C[C@H]1C=CCC1)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000328950884 225817166 /nfs/dbraw/zinc/81/71/66/225817166.db2.gz XCAGZNSPRFFIIF-HNNXBMFYSA-N 0 0 319.449 2.244 10 30 DEEERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@@H]2CCC[C@@H](C)CC2)nn1 ZINC000329337375 225867568 /nfs/dbraw/zinc/86/75/68/225867568.db2.gz PSUHWNBLDLVJBV-QHSBEEBCSA-N 0 0 322.409 2.138 10 30 DEEERN O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1CC(O)(C2CC2)C1 ZINC000330259802 225988710 /nfs/dbraw/zinc/98/87/10/225988710.db2.gz SGKWKPXSMMISQK-CQSZACIVSA-N 0 0 308.422 2.239 10 30 DEEERN C[C@@H](Cc1cccs1)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369233638 227027430 /nfs/dbraw/zinc/02/74/30/227027430.db2.gz WQXFXFDQVISETB-JSGCOSHPSA-N 0 0 318.446 2.061 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cc3ccccc3cc2O)CCN1C1CC1 ZINC000370975735 227061275 /nfs/dbraw/zinc/06/12/75/227061275.db2.gz ZXJRPSONINLQMU-INIZCTEOSA-N 0 0 321.380 2.358 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2ccc3ncccc3c2)CCN1C1CC1 ZINC000370985900 227061984 /nfs/dbraw/zinc/06/19/84/227061984.db2.gz PRMIAPXKMVWTGJ-MRXNPFEDSA-N 0 0 306.369 2.047 10 30 DEEERN N#C[C@@H]1CN(Cc2c(Cl)nc3ccccn32)CCN1C1CC1 ZINC000371326035 227068664 /nfs/dbraw/zinc/06/86/64/227068664.db2.gz HSSVAFRDSXWFCI-CYBMUJFWSA-N 0 0 315.808 2.160 10 30 DEEERN N#CC1CCC(CNC(=O)N2CC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000373001213 227101673 /nfs/dbraw/zinc/10/16/73/227101673.db2.gz IUBKPLHCIITADN-CKUJCDMFSA-N 0 0 305.422 2.384 10 30 DEEERN C[C@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)CCS1 ZINC000408309092 227230881 /nfs/dbraw/zinc/23/08/81/227230881.db2.gz METZDHRPPXKPGK-LBPRGKRZSA-N 0 0 302.465 2.228 10 30 DEEERN C[C@@H](C(=O)Nc1ncccc1-c1ccccc1)n1cnc(C#N)n1 ZINC000360719289 269828074 /nfs/dbraw/zinc/82/80/74/269828074.db2.gz WCQOCTYUBNFWQK-LBPRGKRZSA-N 0 0 318.340 2.411 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CSCC(=O)Nc2cc(C)on2)C1 ZINC000600215071 422408358 /nfs/dbraw/zinc/40/83/58/422408358.db2.gz YIFVKJCNKXKFGR-GFCCVEGCSA-N 0 0 323.418 2.079 10 30 DEEERN C=C(C)Cn1c(CCc2ccco2)nnc1Nc1ccn(C)n1 ZINC000359256186 424827549 /nfs/dbraw/zinc/82/75/49/424827549.db2.gz SMRCWNKPWMAORN-UHFFFAOYSA-N 0 0 312.377 2.710 10 30 DEEERN CC(C)n1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)n1 ZINC000361322063 424843886 /nfs/dbraw/zinc/84/38/86/424843886.db2.gz SNTZQWSLJMODJK-INIZCTEOSA-N 0 0 320.393 2.664 10 30 DEEERN Cc1cc(C#N)nc(NC[C@H](C)c2nc(-c3ccccc3)no2)n1 ZINC000367431896 424868339 /nfs/dbraw/zinc/86/83/39/424868339.db2.gz ZGBLEDXOZBMUCV-NSHDSACASA-N 0 0 320.356 2.922 10 30 DEEERN N#CCc1ccc(NC(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cc1 ZINC000548099972 424869544 /nfs/dbraw/zinc/86/95/44/424869544.db2.gz HZEXMPLARPQUMD-CQSZACIVSA-N 0 0 311.345 2.971 10 30 DEEERN CCc1nc(C2(NC(=O)c3cc(C#N)cn3C)CCCC2)no1 ZINC000177538232 266448417 /nfs/dbraw/zinc/44/84/17/266448417.db2.gz NTWDIRUOCBVKCS-UHFFFAOYSA-N 0 0 313.361 2.041 10 30 DEEERN C=CCNc1nnc(Sc2nc([C@H](C)OC)ns2)s1 ZINC000337919707 424933199 /nfs/dbraw/zinc/93/31/99/424933199.db2.gz XMEVKISGAPNSBW-LURJTMIESA-N 0 0 315.449 2.846 10 30 DEEERN Cc1cc([NH+]=C([O-])NC[C@@H]2CCCc3sc(C)nc32)nn1C ZINC000328635495 424901382 /nfs/dbraw/zinc/90/13/82/424901382.db2.gz UWGSRDGPICVKFT-NSHDSACASA-N 0 0 319.434 2.939 10 30 DEEERN C=CCNC(=O)c1ccc(NCC2CCC(OC)CC2)nc1 ZINC000426886118 425003285 /nfs/dbraw/zinc/00/32/85/425003285.db2.gz IPEZZYPPWZSXGB-UHFFFAOYSA-N 0 0 303.406 2.615 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000597863780 425034748 /nfs/dbraw/zinc/03/47/48/425034748.db2.gz IHOROQXZAOTNIV-YPMHNXCESA-N 0 0 318.377 2.896 10 30 DEEERN Cc1cc(Cn2c(N)nc(C#N)c2C#N)ccc1Br ZINC000443486074 425044778 /nfs/dbraw/zinc/04/47/78/425044778.db2.gz PVHIVBKRCPMZMM-UHFFFAOYSA-N 0 0 316.162 2.328 10 30 DEEERN CC(=O)c1nc(NCCOc2ccc(C#N)cc2)sc1C ZINC000450356997 425071346 /nfs/dbraw/zinc/07/13/46/425071346.db2.gz XZVJAPBRQBXJEM-UHFFFAOYSA-N 0 0 301.371 3.017 10 30 DEEERN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)Cc2cccc(C#N)c2)C1 ZINC000531179096 267240811 /nfs/dbraw/zinc/24/08/11/267240811.db2.gz DACBMKLNCJXTII-MCFFVMPBSA-N 0 0 318.442 2.297 10 30 DEEERN N#Cc1cccc(CNC(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000177391055 268252776 /nfs/dbraw/zinc/25/27/76/268252776.db2.gz DWJCDDCMQXDZLV-MRXNPFEDSA-N 0 0 309.373 2.129 10 30 DEEERN N#Cc1cccc(CC(=O)NCCNc2ccccc2[N+](=O)[O-])c1 ZINC000531386186 268274474 /nfs/dbraw/zinc/27/44/74/268274474.db2.gz GUXWUQBKSQBBLI-UHFFFAOYSA-N 0 0 324.340 2.237 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2cnn(Cc3ccncc3)c2)c1 ZINC000531392296 268278508 /nfs/dbraw/zinc/27/85/08/268278508.db2.gz JFOXKOGQAJNNNH-UHFFFAOYSA-N 0 0 317.352 2.379 10 30 DEEERN N#Cc1c2c(cn(Cc3ccc4c(c3)OCCO4)c1=O)CCC2 ZINC000517495533 269386108 /nfs/dbraw/zinc/38/61/08/269386108.db2.gz RWFQITOHVZQYIY-UHFFFAOYSA-N 0 0 308.337 2.028 10 30 DEEERN CCOC(=O)c1csc(NC(=O)Cc2cccc(C#N)c2)n1 ZINC000531390226 269667960 /nfs/dbraw/zinc/66/79/60/269667960.db2.gz SLLPGKWOBKXTMF-UHFFFAOYSA-N 0 0 315.354 2.373 10 30 DEEERN CC1(C)CCCN(C(=O)c2ccc(-n3cncn3)cc2)[C@H]1C#N ZINC000408392785 275813113 /nfs/dbraw/zinc/81/31/13/275813113.db2.gz CUCHQQVTCUQEAL-HNNXBMFYSA-N 0 0 309.373 2.422 10 30 DEEERN CC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)ccn2)c2ccccc21 ZINC000355249136 277004545 /nfs/dbraw/zinc/00/45/45/277004545.db2.gz KFZIHZYACGNXQC-OAHLLOKOSA-N 0 0 320.352 2.181 10 30 DEEERN CC(=O)N1CC[C@@H](NC(=O)c2ccnc(C#N)c2)c2ccccc21 ZINC000356533463 277004999 /nfs/dbraw/zinc/00/49/99/277004999.db2.gz OHHDQNYUPMGTLL-MRXNPFEDSA-N 0 0 320.352 2.181 10 30 DEEERN COC1(C(=O)N[C@H]2CCc3ccccc3C2=O)CCOCC1 ZINC000329120631 277179328 /nfs/dbraw/zinc/17/93/28/277179328.db2.gz VSYGSPFPTVHTAW-AWEZNQCLSA-N 0 0 303.358 2.336 10 30 DEEERN C#CCCCS(=O)(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000376350504 277672873 /nfs/dbraw/zinc/67/28/73/277672873.db2.gz QQIJLZSDFZJGAQ-QGZVFWFLSA-N 0 0 319.426 2.251 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000189447394 277778619 /nfs/dbraw/zinc/77/86/19/277778619.db2.gz LTQVWFXHWZBGPB-CYBMUJFWSA-N 0 0 324.450 2.047 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000370105469 277833123 /nfs/dbraw/zinc/83/31/23/277833123.db2.gz OMPSNIDYAPKTJT-MPTYRVRUSA-N 0 0 311.422 2.153 10 30 DEEERN COCCCCCNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000058509117 281495903 /nfs/dbraw/zinc/49/59/03/281495903.db2.gz BURGBIJCOMXAKB-UHFFFAOYSA-N 0 0 316.810 2.307 10 30 DEEERN COc1cccc(O[C@H](C)CNC(=O)c2cc(C#N)cn2C)c1 ZINC000081549055 281604911 /nfs/dbraw/zinc/60/49/11/281604911.db2.gz QKQKMLDBHLDWJH-GFCCVEGCSA-N 0 0 313.357 2.103 10 30 DEEERN CCOC(=O)c1csc(=O)n1Cc1ccc(OC)c(C#N)c1 ZINC000128007399 281872672 /nfs/dbraw/zinc/87/26/72/281872672.db2.gz SYADLLBXXGNXJY-UHFFFAOYSA-N 0 0 318.354 2.015 10 30 DEEERN C[C@H](CCO)C1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)CCC1 ZINC000329560047 289492677 /nfs/dbraw/zinc/49/26/77/289492677.db2.gz IPLCVTAZHKBIFH-LXTVHRRPSA-N 0 0 311.422 2.183 10 30 DEEERN Cn1cc(NC(=O)N2CC3(C2)CCCOC3)c(C(F)(F)F)n1 ZINC000329578742 294256193 /nfs/dbraw/zinc/25/61/93/294256193.db2.gz TYOCJEGWGVBBDA-UHFFFAOYSA-N 0 0 318.299 2.097 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000408334202 294818018 /nfs/dbraw/zinc/81/80/18/294818018.db2.gz MJSZCQXUPSHMEB-XDTLVQLUSA-N 0 0 301.321 2.060 10 30 DEEERN C[C@H](CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)N1CCCCC1=O ZINC000189039988 298306951 /nfs/dbraw/zinc/30/69/51/298306951.db2.gz VXRNHFYFVMMZLZ-CPUCHLNUSA-N 0 0 305.422 2.366 10 30 DEEERN C[C@H]1CCN(C)c2ccccc2N1C(=O)c1cnn(C)c1C#N ZINC000408314275 299972877 /nfs/dbraw/zinc/97/28/77/299972877.db2.gz SEXKWEMLMHOTBJ-LBPRGKRZSA-N 0 0 309.373 2.167 10 30 DEEERN C=CCCCCCNC(=O)Nc1ncc(C(=O)OCC)n1C ZINC000584002377 331559577 /nfs/dbraw/zinc/55/95/77/331559577.db2.gz XDRWWZKKWFOAPH-UHFFFAOYSA-N 0 0 308.382 2.465 10 30 DEEERN C=CCn1c(SC[C@H](C)CS(C)(=O)=O)nnc1C1CC1 ZINC000154938724 332440840 /nfs/dbraw/zinc/44/08/40/332440840.db2.gz RAZSGTWRUXAWEC-JTQLQIEISA-N 0 0 315.464 2.114 10 30 DEEERN C=CCC1(CN2C(=O)N[C@@H](c3ccn(C)n3)C2=O)CCCC1 ZINC000562830115 332630428 /nfs/dbraw/zinc/63/04/28/332630428.db2.gz QCZOTIUBXUCLAD-ZDUSSCGKSA-N 0 0 302.378 2.150 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1ncc(CC)s1 ZINC000570060905 332707374 /nfs/dbraw/zinc/70/73/74/332707374.db2.gz XISRDVJFNLQKBG-UHFFFAOYSA-N 0 0 309.435 2.184 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000563087311 333365619 /nfs/dbraw/zinc/36/56/19/333365619.db2.gz YMYGDHRLUIAFOI-XHSDSOJGSA-N 0 0 308.422 2.463 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccnc(OCc2ccccc2)c1 ZINC000185708882 333370599 /nfs/dbraw/zinc/37/05/99/333370599.db2.gz AGGTUTBLJADWDS-INIZCTEOSA-N 0 0 312.369 2.327 10 30 DEEERN C=C(C)[C@H](NC(=O)N1CCNC(=O)CC1)c1ccc(F)c(F)c1 ZINC000185831586 335154177 /nfs/dbraw/zinc/15/41/77/335154177.db2.gz HELGQPCPALIQOU-HNNXBMFYSA-N 0 0 323.343 2.114 10 30 DEEERN C=CCN(CC=C)C(=O)COc1cnn(C)c1C(F)(F)F ZINC000571344700 333768889 /nfs/dbraw/zinc/76/88/89/333768889.db2.gz JCBWRLAWYAVSDH-UHFFFAOYSA-N 0 0 303.284 2.018 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000342101893 334509872 /nfs/dbraw/zinc/50/98/72/334509872.db2.gz NBFKOLMFEKXVKN-BZUAXINKSA-N 0 0 304.390 2.143 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)OC)[C@@H]1CCC[C@@H](OC)C1 ZINC000514606603 336385971 /nfs/dbraw/zinc/38/59/71/336385971.db2.gz CAFCYZKLGIQOGY-YJNKXOJESA-N 0 0 311.422 2.452 10 30 DEEERN CC#CCCCC(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000362300177 336791384 /nfs/dbraw/zinc/79/13/84/336791384.db2.gz KEPQCOMELJYPIM-UHFFFAOYSA-N 0 0 314.429 2.329 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000582414800 336968975 /nfs/dbraw/zinc/96/89/75/336968975.db2.gz NKRZVSHZSQFEJK-ZANVPECISA-N 0 0 323.780 2.152 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3[C@@H](C)CC[C@@H]3C)cc2C1=O ZINC000162172180 337608343 /nfs/dbraw/zinc/60/83/43/337608343.db2.gz OPHZVFMHOBNBOM-RYUDHWBXSA-N 0 0 312.369 2.482 10 30 DEEERN C#CCC(CC#C)C(=O)N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C ZINC000277347442 337666234 /nfs/dbraw/zinc/66/62/34/337666234.db2.gz DYFNSLLVKRLXAJ-RDJZCZTQSA-N 0 0 316.445 2.193 10 30 DEEERN C=CCn1nnnc1SCc1ccc2c(c1)OC(F)(F)O2 ZINC000505521899 340170165 /nfs/dbraw/zinc/17/01/65/340170165.db2.gz YKQPITSPINTWGH-UHFFFAOYSA-N 0 0 312.301 2.473 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](CC)C3)cc2C1=O ZINC000131815970 341112069 /nfs/dbraw/zinc/11/20/69/341112069.db2.gz YYJJUCDBAVVKBH-GFCCVEGCSA-N 0 0 312.369 2.341 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000545216600 341114869 /nfs/dbraw/zinc/11/48/69/341114869.db2.gz SMHGVVLHQYBCGE-CYBMUJFWSA-N 0 0 318.377 2.241 10 30 DEEERN C=CCn1c(-c2ncccc2C)nnc1N1CCO[C@@H](CC)C1 ZINC000548956775 341282278 /nfs/dbraw/zinc/28/22/78/341282278.db2.gz FWEPMKWYWXSNIG-AWEZNQCLSA-N 0 0 313.405 2.450 10 30 DEEERN N#C[C@H]1CN(c2nnc(C3CCC3)n2Cc2ccccc2)CCO1 ZINC000549539091 341296924 /nfs/dbraw/zinc/29/69/24/341296924.db2.gz FALILWHRHZLWPH-INIZCTEOSA-N 0 0 323.400 2.323 10 30 DEEERN C=CCn1c(COCC)nnc1N1CCC[C@@]2(CCCOC2)C1 ZINC000554619346 341459815 /nfs/dbraw/zinc/45/98/15/341459815.db2.gz MAGAHCQYZPWKSO-QGZVFWFLSA-N 0 0 320.437 2.398 10 30 DEEERN C=CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000153167940 341527968 /nfs/dbraw/zinc/52/79/68/341527968.db2.gz FJJMGLWMYLPMSR-GFCCVEGCSA-N 0 0 303.424 2.089 10 30 DEEERN C=CCOc1cccc(NS(=O)(=O)C[C@H](OC)C2CC2)c1 ZINC000567265206 341592273 /nfs/dbraw/zinc/59/22/73/341592273.db2.gz DCYSVSCGBGQBIC-HNNXBMFYSA-N 0 0 311.403 2.418 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)Nc1ccccc1N(C)C(C)=O ZINC000154622329 341592478 /nfs/dbraw/zinc/59/24/78/341592478.db2.gz BHXZQUOCMCPMGX-UHFFFAOYSA-N 0 0 317.389 2.032 10 30 DEEERN C=CCCCS(=O)(=O)Nc1ncc(C(=O)OC)cc1Cl ZINC000568000776 341644926 /nfs/dbraw/zinc/64/49/26/341644926.db2.gz COKOQQLXNACFSV-UHFFFAOYSA-N 0 0 318.782 2.230 10 30 DEEERN C=CCCCCCN1C(=O)NC2(CCC(C(=O)OC)CC2)C1=O ZINC000574336464 341755651 /nfs/dbraw/zinc/75/56/51/341755651.db2.gz QLOCKZWCJVFKBE-UHFFFAOYSA-N 0 0 322.405 2.387 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnn(Cc2ccccc2)c1 ZINC000574750524 341767773 /nfs/dbraw/zinc/76/77/73/341767773.db2.gz WQHBPCPTYKXFIC-RDJZCZTQSA-N 0 0 311.385 2.252 10 30 DEEERN C=CCCCCCNC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000575932350 341815597 /nfs/dbraw/zinc/81/55/97/341815597.db2.gz IVVFOBZAGLSCFZ-RRFJBIMHSA-N 0 0 320.433 2.413 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000577974902 341962071 /nfs/dbraw/zinc/96/20/71/341962071.db2.gz CLUYHCGQZAHNSU-NEPJUHHUSA-N 0 0 314.307 2.350 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(OC)c(OC)c1C ZINC000566119806 500581332 /nfs/dbraw/zinc/58/13/32/500581332.db2.gz DSPOAODMVWWCLN-JSGCOSHPSA-N 0 0 305.374 2.333 10 30 DEEERN C=C(CC)CNC(=O)C(=O)Nc1scc(C)c1C(=O)OCC ZINC000454042255 534404632 /nfs/dbraw/zinc/40/46/32/534404632.db2.gz ZPQSYBOZTNUWHZ-UHFFFAOYSA-N 0 0 324.402 2.254 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N(C)[C@@H](C)CCC ZINC000453429510 534426609 /nfs/dbraw/zinc/42/66/09/534426609.db2.gz RRLRFPRQOBRYFQ-NSHDSACASA-N 0 0 303.414 2.193 10 30 DEEERN C=CC(C)(C)CNC(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1n1cccn1 ZINC000455111831 534514171 /nfs/dbraw/zinc/51/41/71/534514171.db2.gz RMLDDOGCSIGNKP-MGPQQGTHSA-N 0 0 306.410 2.113 10 30 DEEERN Cc1cccc(Br)c1C(=O)N[C@H]1CCC(=O)NC1 ZINC000330366806 534581919 /nfs/dbraw/zinc/58/19/19/534581919.db2.gz CPFKPUSSVXCGSY-VIFPVBQESA-N 0 0 311.179 2.341 10 30 DEEERN N#CC1CCN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000173334189 534586798 /nfs/dbraw/zinc/58/67/98/534586798.db2.gz UKYQXDHQDDTPDB-GJZGRUSLSA-N 0 0 312.369 2.323 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccc(CC)c(CC)c1 ZINC000453958709 534596346 /nfs/dbraw/zinc/59/63/46/534596346.db2.gz YCLZYQGMFJLIQI-CVEARBPZSA-N 0 0 316.401 2.210 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000453740262 534687756 /nfs/dbraw/zinc/68/77/56/534687756.db2.gz OIDNZXQIJSVYHB-AWEZNQCLSA-N 0 0 312.369 2.321 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@@H]1c1cc(C)no1 ZINC000460019186 534699608 /nfs/dbraw/zinc/69/96/08/534699608.db2.gz XZEHGOOEXKATGB-CYBMUJFWSA-N 0 0 305.378 2.071 10 30 DEEERN O=C(N[C@@H](C1CC1)C(F)(F)F)N1CCc2cncnc2C1 ZINC000329654712 534759290 /nfs/dbraw/zinc/75/92/90/534759290.db2.gz LYPIHPSLPSYXOE-NSHDSACASA-N 0 0 300.284 2.090 10 30 DEEERN Cc1csc(N2CCC(C(=O)N[C@H]3CCC[C@H]3C#N)CC2)n1 ZINC000408333629 534825606 /nfs/dbraw/zinc/82/56/06/534825606.db2.gz GQFVTKXOUNNUEA-KBPBESRZSA-N 0 0 318.446 2.476 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NC3(C#N)CCCC3)cc2C1=O ZINC000339271976 526409483 /nfs/dbraw/zinc/40/94/83/526409483.db2.gz NNSODHXTYXEVCY-UHFFFAOYSA-N 0 0 323.352 2.035 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)C/C=C\c2cccc(F)c2)C1=O ZINC000341644818 526459013 /nfs/dbraw/zinc/45/90/13/526459013.db2.gz RIMLXRJORXGTOQ-GMNBZTITSA-N 0 0 316.376 2.474 10 30 DEEERN C=CCN1CC[C@@H](N2CC(c3nc4ccccc4s3)C2)C1=O ZINC000337175876 526475786 /nfs/dbraw/zinc/47/57/86/526475786.db2.gz ILTNSMFCJQEPSA-CQSZACIVSA-N 0 0 313.426 2.482 10 30 DEEERN CC(=O)N(C)c1cccc(NC(=O)NC[C@]2(C)CCOC2)c1 ZINC000330957815 526478705 /nfs/dbraw/zinc/47/87/05/526478705.db2.gz VYVAUJWBSWOEOC-INIZCTEOSA-N 0 0 305.378 2.422 10 30 DEEERN C=C(C)CN(CC)C(=O)CSCc1cn(CC2CC2)nn1 ZINC000419573876 526527582 /nfs/dbraw/zinc/52/75/82/526527582.db2.gz SUAIOKSPHILVLG-UHFFFAOYSA-N 0 0 308.451 2.346 10 30 DEEERN C=C(C)COCCNC(=O)N1CC(OC)(c2ccccc2)C1 ZINC000354343928 526633692 /nfs/dbraw/zinc/63/36/92/526633692.db2.gz DWZDIDGIOVRBTE-UHFFFAOYSA-N 0 0 304.390 2.146 10 30 DEEERN C=C(C)COCCNC(=O)Nc1ccc(CC(=O)OC)cc1 ZINC000354334003 526646354 /nfs/dbraw/zinc/64/63/54/526646354.db2.gz LFDACQRPLLXYIT-UHFFFAOYSA-N 0 0 306.362 2.116 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)c2cc(C)cc(=O)[nH]2)cc1 ZINC000431330827 526651887 /nfs/dbraw/zinc/65/18/87/526651887.db2.gz CXVCGTNBXQYBAY-UHFFFAOYSA-N 0 0 311.341 2.264 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(F)c(NC(=O)NC)c1 ZINC000289373033 526674736 /nfs/dbraw/zinc/67/47/36/526674736.db2.gz NWFJLXBUTHJBMA-UHFFFAOYSA-N 0 0 301.321 2.178 10 30 DEEERN C#CCCCC(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000192151089 526677220 /nfs/dbraw/zinc/67/72/20/526677220.db2.gz AQNVJVIRUGRHLZ-OAHLLOKOSA-N 0 0 320.458 2.383 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000341952464 526704496 /nfs/dbraw/zinc/70/44/96/526704496.db2.gz RLEHAAPIUQLTRA-QWHCGFSZSA-N 0 0 324.446 2.456 10 30 DEEERN C#CCCCNC(=O)N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000369899989 526711613 /nfs/dbraw/zinc/71/16/13/526711613.db2.gz ZDAQIZGXJUNLJS-AWEZNQCLSA-N 0 0 305.378 2.005 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000346162032 526712287 /nfs/dbraw/zinc/71/22/87/526712287.db2.gz NZIGMMYHVRVDSK-JTQLQIEISA-N 0 0 301.433 2.370 10 30 DEEERN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCO[C@@H](C)C1 ZINC000328792234 526738257 /nfs/dbraw/zinc/73/82/57/526738257.db2.gz ZRRWTBZQCBQYCA-MELADBBJSA-N 0 0 306.410 2.177 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCC1(O)Cc2ccccc2C1)OCC ZINC000366738522 526747446 /nfs/dbraw/zinc/74/74/46/526747446.db2.gz IIWPZDKAZQDHLE-MRXNPFEDSA-N 0 0 303.402 2.004 10 30 DEEERN C=CCOCCNC(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000374830591 526777584 /nfs/dbraw/zinc/77/75/84/526777584.db2.gz ZFOFOWFYXLRQHF-CZUORRHYSA-N 0 0 322.380 2.500 10 30 DEEERN C=CCOCCNC(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000368700913 526777980 /nfs/dbraw/zinc/77/79/80/526777980.db2.gz XFKDBFYLKJMQRS-UHFFFAOYSA-N 0 0 318.417 2.319 10 30 DEEERN C=CCOCCNC(=O)N[C@@H]1CCOc2cc(OC)ccc21 ZINC000378589544 526779954 /nfs/dbraw/zinc/77/99/54/526779954.db2.gz OKNPCORMKPNQET-CQSZACIVSA-N 0 0 306.362 2.021 10 30 DEEERN C#CCN(CC#C)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000299221332 526848101 /nfs/dbraw/zinc/84/81/01/526848101.db2.gz INZOAGOWFIOYNQ-MRXNPFEDSA-N 0 0 309.413 2.182 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@@H]2CCOC[C@H]2C)cc1OC ZINC000432459909 526850356 /nfs/dbraw/zinc/85/03/56/526850356.db2.gz AZFSDRIFCZJVPP-TZMCWYRMSA-N 0 0 305.374 2.415 10 30 DEEERN C=CCOc1cccc(NC(=O)NCc2cc(C(N)=O)co2)c1 ZINC000188721820 526914848 /nfs/dbraw/zinc/91/48/48/526914848.db2.gz YREULAMMGUYPOA-UHFFFAOYSA-N 0 0 315.329 2.265 10 30 DEEERN C=CCOc1ccccc1CNC(=O)NCC[C@@H](C)[S@@](C)=O ZINC000123732069 526941950 /nfs/dbraw/zinc/94/19/50/526941950.db2.gz JMPZJNPPQOLGKW-DMZKTXOQSA-N 0 0 324.446 2.208 10 30 DEEERN C=CCOc1ccccc1CNC(=O)c1c(C)nnn1CC ZINC000294698311 526947204 /nfs/dbraw/zinc/94/72/04/526947204.db2.gz SWFPSWQBJFOHTJ-UHFFFAOYSA-N 0 0 300.362 2.101 10 30 DEEERN C=CCSCCNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000360028864 527004235 /nfs/dbraw/zinc/00/42/35/527004235.db2.gz HVAWAYIBDLZJLC-UHFFFAOYSA-N 0 0 314.407 2.036 10 30 DEEERN C#CCNC(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000193277427 527008513 /nfs/dbraw/zinc/00/85/13/527008513.db2.gz TVVACEUVPUOINU-NSHDSACASA-N 0 0 307.419 2.157 10 30 DEEERN C=CCC(C)(C)CNC(=O)Nc1nn(C)cc1C(=O)OCC ZINC000296780862 527010853 /nfs/dbraw/zinc/01/08/53/527010853.db2.gz KFIBGGYQNPPCJD-UHFFFAOYSA-N 0 0 308.382 2.321 10 30 DEEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1cc(OC)cc(OC)c1C ZINC000337568079 527035809 /nfs/dbraw/zinc/03/58/09/527035809.db2.gz XPBYDRSQOLDBBA-GFCCVEGCSA-N 0 0 320.389 2.422 10 30 DEEERN C=CCC1(C(=O)N2C[C@@H](OC)C[C@H]2CC(=O)OCC)CCC1 ZINC000372785454 527050688 /nfs/dbraw/zinc/05/06/88/527050688.db2.gz QIIOBBGKMDAERY-KBPBESRZSA-N 0 0 309.406 2.302 10 30 DEEERN C=CCC1(C(=O)N[C@@H](C/C=C/C)C(=O)OCC)CCOCC1 ZINC000424772303 527057067 /nfs/dbraw/zinc/05/70/67/527057067.db2.gz DTVHIESOYSMSKI-GBXSZLQWSA-N 0 0 309.406 2.373 10 30 DEEERN C=CCC1(C(=O)N[C@@H]([C@H](CO)C2CC2)C2CC2)CCOCC1 ZINC000424865377 527058285 /nfs/dbraw/zinc/05/82/85/527058285.db2.gz DBTFLWIRZQGZIS-HZPDHXFCSA-N 0 0 307.434 2.273 10 30 DEEERN C=CCC1(C(=O)Nc2ccc(OCCO)cc2)CCOCC1 ZINC000424729713 527061092 /nfs/dbraw/zinc/06/10/92/527061092.db2.gz BOMGTFAFPLDOLI-UHFFFAOYSA-N 0 0 305.374 2.369 10 30 DEEERN C=CCCC(=O)Nc1c(C(=O)OC)cc(OC)c(OC)c1OC ZINC000338627585 527078255 /nfs/dbraw/zinc/07/82/55/527078255.db2.gz MQGMCFKGLZMBMZ-UHFFFAOYSA-N 0 0 323.345 2.404 10 30 DEEERN C#CCO[C@H](C)C(=O)N1CCc2cccc(Br)c2C1 ZINC000295756232 527080065 /nfs/dbraw/zinc/08/00/65/527080065.db2.gz HMBDVICYAPZCMD-LLVKDONJSA-N 0 0 322.202 2.372 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000376351341 527094629 /nfs/dbraw/zinc/09/46/29/527094629.db2.gz KJGQZMKEFNNWBG-DLBZAZTESA-N 0 0 318.417 2.391 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(C(F)(F)F)nc1OCC ZINC000337022925 527099946 /nfs/dbraw/zinc/09/99/46/527099946.db2.gz ANSDIELZDOALBX-VIFPVBQESA-N 0 0 318.295 2.166 10 30 DEEERN C=CC[C@H](C)NC(=O)c1cnn(-c2ccc(OCC)nn2)c1C ZINC000116863346 527138209 /nfs/dbraw/zinc/13/82/09/527138209.db2.gz MODOGCKVQAAHRJ-NSHDSACASA-N 0 0 315.377 2.064 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC2(C1)CCCOC2 ZINC000377251543 527159989 /nfs/dbraw/zinc/15/99/89/527159989.db2.gz VJYPYWJWURVPEF-KRWDZBQOSA-N 0 0 312.413 2.443 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](O)CC1 ZINC000298030002 527160274 /nfs/dbraw/zinc/16/02/74/527160274.db2.gz QQONDOQLLXEMER-DLBZAZTESA-N 0 0 300.402 2.177 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cnn(C)c1Cl ZINC000295188497 527161177 /nfs/dbraw/zinc/16/11/77/527161177.db2.gz CUAPLVKTRFJUIE-ZDUSSCGKSA-N 0 0 301.777 2.438 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC000285886982 527161769 /nfs/dbraw/zinc/16/17/69/527161769.db2.gz RDEMBNSWPILXKF-WMZOPIPTSA-N 0 0 321.424 2.276 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)Cc1cccc(OC)c1 ZINC000297766109 527172114 /nfs/dbraw/zinc/17/21/14/527172114.db2.gz HAMVFXOKDIXTIX-UHFFFAOYSA-N 0 0 304.390 2.078 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000410690203 527174010 /nfs/dbraw/zinc/17/40/10/527174010.db2.gz RSQMOGJEHNTEQY-INIZCTEOSA-N 0 0 322.449 2.219 10 30 DEEERN C#CC[C@H](NC(=O)N[C@@H](CC)[C@@H](O)C(F)F)c1ccccc1 ZINC000297179246 527174429 /nfs/dbraw/zinc/17/44/29/527174429.db2.gz FMTPTCRTUZJJDH-MELADBBJSA-N 0 0 310.344 2.455 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1nc2c(s1)CCCC2 ZINC000192993486 527181128 /nfs/dbraw/zinc/18/11/28/527181128.db2.gz YFAUGBZLSVQJDU-UHFFFAOYSA-N 0 0 307.419 2.385 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cc(-n2cccn2)ccc1C ZINC000448377615 527209393 /nfs/dbraw/zinc/20/93/93/527209393.db2.gz SEWROZIJOPLHPR-UHFFFAOYSA-N 0 0 312.373 2.202 10 30 DEEERN C=CCCCNC(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000448042754 527223482 /nfs/dbraw/zinc/22/34/82/527223482.db2.gz KKYOTOPPKQLOPU-ZFWWWQNUSA-N 0 0 301.390 2.446 10 30 DEEERN C=CCc1cc(C(=O)N2C[C@@H](O)C3(CC3)C2)cc(OC)c1OC ZINC000368751009 527232199 /nfs/dbraw/zinc/23/21/99/527232199.db2.gz QTVCBYWBWNCFEU-OAHLLOKOSA-N 0 0 317.385 2.029 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccc(Cl)cn1 ZINC000352237184 527257601 /nfs/dbraw/zinc/25/76/01/527257601.db2.gz HOCILUREUGPJSM-LLVKDONJSA-N 0 0 309.797 2.212 10 30 DEEERN C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC[C@H]1C ZINC000289769314 527267725 /nfs/dbraw/zinc/26/77/25/527267725.db2.gz SEHDCNAKWMJCAF-CYBMUJFWSA-N 0 0 309.373 2.228 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N1CCC(C(=O)OC)CC1 ZINC000337731901 527280400 /nfs/dbraw/zinc/28/04/00/527280400.db2.gz AHRJNHVXENXEMA-UHFFFAOYSA-N 0 0 316.361 2.114 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000339735008 527303361 /nfs/dbraw/zinc/30/33/61/527303361.db2.gz JNVMHBYYNOHYNM-LLVKDONJSA-N 0 0 308.353 2.046 10 30 DEEERN C#C[C@H](C)NC(=O)NCCc1coc(-c2ccc(OC)cc2)n1 ZINC000378065896 527341848 /nfs/dbraw/zinc/34/18/48/527341848.db2.gz DTBDZSBOQAVBFN-LBPRGKRZSA-N 0 0 313.357 2.214 10 30 DEEERN C=CCCOCCNC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000373951479 527348579 /nfs/dbraw/zinc/34/85/79/527348579.db2.gz SVAZJRILMXGIIO-HNNXBMFYSA-N 0 0 306.410 2.249 10 30 DEEERN C=CCCOCCNC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000127269098 527350445 /nfs/dbraw/zinc/35/04/45/527350445.db2.gz GRYTVXKFBKRRKU-CQSZACIVSA-N 0 0 310.419 2.424 10 30 DEEERN C=CCCOCCNC(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000374690499 527351906 /nfs/dbraw/zinc/35/19/06/527351906.db2.gz AQYSIGWYPPGMAL-MRXNPFEDSA-N 0 0 303.406 2.248 10 30 DEEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCO[C@@H](CF)C1 ZINC000424123617 527360312 /nfs/dbraw/zinc/36/03/12/527360312.db2.gz KQMLWFRWWGUCSL-NWDGAFQWSA-N 0 0 312.414 2.207 10 30 DEEERN C=CCn1cc(CNC(=O)C[C@H]2CCOc3ccccc32)nn1 ZINC000424909014 527366060 /nfs/dbraw/zinc/36/60/60/527366060.db2.gz RNKZMXLOQRFOHG-CYBMUJFWSA-N 0 0 312.373 2.037 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCC(c2nccc(C)n2)CC1 ZINC000371787536 527389651 /nfs/dbraw/zinc/38/96/51/527389651.db2.gz BXRRONBBTWDODM-CQSZACIVSA-N 0 0 303.406 2.472 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249521005 527394705 /nfs/dbraw/zinc/39/47/05/527394705.db2.gz VGYZXFRCKZHUAB-BPLDGKMQSA-N 0 0 309.431 2.264 10 30 DEEERN C#Cc1ccc(CNC(=O)N(C)C[C@H](O)Cc2ccccc2)cc1 ZINC000297685236 527435256 /nfs/dbraw/zinc/43/52/56/527435256.db2.gz PZZBNQYWGHEZNN-LJQANCHMSA-N 0 0 322.408 2.413 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CCC(CCCO)CC2)cc1 ZINC000297551080 527435881 /nfs/dbraw/zinc/43/58/81/527435881.db2.gz JTNFUTKZLPPARZ-UHFFFAOYSA-N 0 0 300.402 2.362 10 30 DEEERN C=CCC[C@H](C(=O)N1CCN(CCO)[C@H](C)C1)c1ccccc1 ZINC000188706141 527462076 /nfs/dbraw/zinc/46/20/76/527462076.db2.gz GDWKLBCTIYJVPT-AEFFLSMTSA-N 0 0 316.445 2.261 10 30 DEEERN C=CCC[C@H](C(=O)N1CC[C@@H](C(=O)NC)C1)c1ccccc1 ZINC000421651284 527462145 /nfs/dbraw/zinc/46/21/45/527462145.db2.gz JVXABRPUDCSULO-CVEARBPZSA-N 0 0 300.402 2.331 10 30 DEEERN C#Cc1ccccc1CC(=O)N1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000378022616 527462491 /nfs/dbraw/zinc/46/24/91/527462491.db2.gz AKEPTWHAZPCENC-KZNAEPCWSA-N 0 0 313.397 2.005 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@]2(CCCO2)[C@H]1C(C)C ZINC000334107908 527472544 /nfs/dbraw/zinc/47/25/44/527472544.db2.gz ZKUROPRRNBVZEB-JYYAWHABSA-N 0 0 308.422 2.319 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)c1ccc(OC)c(Cl)c1 ZINC000424930058 527493004 /nfs/dbraw/zinc/49/30/04/527493004.db2.gz DDGCSZBFPFKYFO-AAEUAGOBSA-N 0 0 323.776 2.239 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN[C@H](Cc1ccc(C)cc1)C(=O)OC ZINC000424142350 527499063 /nfs/dbraw/zinc/49/90/63/527499063.db2.gz PNKSXIMHPCNJCX-BBWFWOEESA-N 0 0 303.402 2.260 10 30 DEEERN C=CCCc1ccccc1NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000337144810 527504443 /nfs/dbraw/zinc/50/44/43/527504443.db2.gz WWRFFVUJUASDFI-UHFFFAOYSA-N 0 0 315.373 2.074 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCCOc1ccc(C#N)cc1 ZINC000189057287 527530695 /nfs/dbraw/zinc/53/06/95/527530695.db2.gz MHSBDHHKUHSJFD-KRWDZBQOSA-N 0 0 302.374 2.282 10 30 DEEERN C=CCN(C(=O)COC(F)F)c1nc(C(=O)OCC)cs1 ZINC000341483288 527536621 /nfs/dbraw/zinc/53/66/21/527536621.db2.gz PTEOXBLUVLKYLH-UHFFFAOYSA-N 0 0 320.317 2.078 10 30 DEEERN C=CCN(C(=O)[C@H]1CO[C@H](C)C1)c1nc(C(=O)OCC)cs1 ZINC000439106548 527547351 /nfs/dbraw/zinc/54/73/51/527547351.db2.gz IABUDAORERQGGX-GHMZBOCLSA-N 0 0 324.402 2.264 10 30 DEEERN C=CCN(C)C(=O)C(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000410802221 527555257 /nfs/dbraw/zinc/55/52/57/527555257.db2.gz OOUNUTSAKGMNQI-WFASDCNBSA-N 0 0 304.365 2.380 10 30 DEEERN C=C[C@H](CC(=O)NC[C@@]1(CCO)CCOC1)c1ccccc1 ZINC000305664022 527577054 /nfs/dbraw/zinc/57/70/54/527577054.db2.gz GUKXPUKERAVZMM-CRAIPNDOSA-N 0 0 303.402 2.252 10 30 DEEERN C=CCN(C/C=C\c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000255868477 527580350 /nfs/dbraw/zinc/58/03/50/527580350.db2.gz BDJMBVUWESJLBY-IOBAAEILSA-N 0 0 321.442 2.384 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000342014267 527585839 /nfs/dbraw/zinc/58/58/39/527585839.db2.gz VDFGJXIAOIOLGI-UHFFFAOYSA-N 0 0 317.311 2.398 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)C(=O)N(C)C[C@H]1CCCO1 ZINC000410564860 527592221 /nfs/dbraw/zinc/59/22/21/527592221.db2.gz ZOSYNQIJFMJNGR-MRXNPFEDSA-N 0 0 322.449 2.219 10 30 DEEERN CCN(CCC#N)C(=O)CN1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195337458 528358023 /nfs/dbraw/zinc/35/80/23/528358023.db2.gz CFKDADYDFCIDTF-CQSZACIVSA-N 0 0 320.462 2.393 10 30 DEEERN CCN(CCC#N)C(=O)CSc1nnc(C(F)(F)F)s1 ZINC000188166035 528365556 /nfs/dbraw/zinc/36/55/56/528365556.db2.gz FWJLXOWCCITDJW-UHFFFAOYSA-N 0 0 324.353 2.411 10 30 DEEERN CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC12CCC2 ZINC000441532428 528375753 /nfs/dbraw/zinc/37/57/53/528375753.db2.gz FDIKSIRXNNZRKW-UHFFFAOYSA-N 0 0 313.357 2.050 10 30 DEEERN CCN(CCNC(=O)c1ccc(C#N)n1C)c1cccc(C)c1 ZINC000448601084 528505322 /nfs/dbraw/zinc/50/53/22/528505322.db2.gz OZBVTICOSQAHCZ-UHFFFAOYSA-N 0 0 310.401 2.462 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000188838580 529299827 /nfs/dbraw/zinc/29/98/27/529299827.db2.gz OYHOYZAXAHRMAB-QJPTWQEYSA-N 0 0 313.373 2.142 10 30 DEEERN CCc1[nH]nc(NC(=O)c2ccc(C#N)n2C)c1Br ZINC000450017917 536011865 /nfs/dbraw/zinc/01/18/65/536011865.db2.gz NKCFXHLCDQHCLR-UHFFFAOYSA-N 0 0 322.166 2.197 10 30 DEEERN COc1ccccc1N1CC[C@@H](CNc2ccncc2C#N)C1 ZINC000376882568 537072858 /nfs/dbraw/zinc/07/28/58/537072858.db2.gz SOIRDMDCQXIVIH-AWEZNQCLSA-N 0 0 308.385 2.322 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000804807107 623250963 /nfs/dbraw/zinc/25/09/63/623250963.db2.gz BDPUIANRWCVNCE-ZDUSSCGKSA-N 0 0 324.340 2.135 10 30 DEEERN C/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000175923139 623777229 /nfs/dbraw/zinc/77/72/29/623777229.db2.gz RQWYVBDNYDNVQJ-ADLJWPQSSA-N 0 0 315.398 2.364 10 30 DEEERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2ccc(F)c(C#N)c2)C1 ZINC000888079187 625060364 /nfs/dbraw/zinc/06/03/64/625060364.db2.gz IWUGOYSLDYLJMG-UKRRQHHQSA-N 0 0 300.337 2.382 10 30 DEEERN C#CCOc1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1 ZINC000155429732 625137351 /nfs/dbraw/zinc/13/73/51/625137351.db2.gz XEYZKAMMJLJRAE-UHFFFAOYSA-N 0 0 315.369 2.304 10 30 DEEERN CCOC(=O)[C@H](C)OC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000733460189 633196452 /nfs/dbraw/zinc/19/64/52/633196452.db2.gz JRAMJRIFQVGSOV-SWLSCSKDSA-N 0 0 319.357 2.456 10 30 DEEERN C#CCOC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1 ZINC000194055362 633244358 /nfs/dbraw/zinc/24/43/58/633244358.db2.gz XZEGHNYIWVQZLE-GOSISDBHSA-N 0 0 319.360 2.430 10 30 DEEERN C#Cc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2C)nc1 ZINC000733936630 633299003 /nfs/dbraw/zinc/29/90/03/633299003.db2.gz CAVIXPSQQMHYMO-UHFFFAOYSA-N 0 0 314.366 2.027 10 30 DEEERN C=C(COC(=O)c1ccc(-n2nccc2C)cc1)C(=O)OCC ZINC000734026877 633312988 /nfs/dbraw/zinc/31/29/88/633312988.db2.gz CIACIBLOSOAZCI-UHFFFAOYSA-N 0 0 314.341 2.457 10 30 DEEERN C=C(COC(=O)c1cc2ccccc2oc1=O)C(=O)OCC ZINC000734025223 633317908 /nfs/dbraw/zinc/31/79/08/633317908.db2.gz GTSFERTWRPZVPM-UHFFFAOYSA-N 0 0 302.282 2.069 10 30 DEEERN c1nn(-c2ccccc2)c2ncnc(N=NC3CCCOC3)c12 ZINC000734746914 633424303 /nfs/dbraw/zinc/42/43/03/633424303.db2.gz YNHRVENFEBMRAI-UHFFFAOYSA-N 0 0 308.345 2.394 10 30 DEEERN CC(=O)N1CCCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735306107 633500167 /nfs/dbraw/zinc/50/01/67/633500167.db2.gz ILTHPGJUPKISOE-UHFFFAOYSA-N 0 0 321.808 2.297 10 30 DEEERN CC(=O)NC1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735310184 633500842 /nfs/dbraw/zinc/50/08/42/633500842.db2.gz SKIJXSOXASMARG-UHFFFAOYSA-N 0 0 321.808 2.343 10 30 DEEERN N#C[C@H]1CN(C(=O)C2(c3ccccc3F)CC2)CCN1C1CC1 ZINC000736017901 633562207 /nfs/dbraw/zinc/56/22/07/633562207.db2.gz FHUXOUGAPJKPLD-AWEZNQCLSA-N 0 0 313.376 2.056 10 30 DEEERN C=C(Cl)CNC(=O)NC1CCN(C(=O)OC(C)C)CC1 ZINC000736399237 633618310 /nfs/dbraw/zinc/61/83/10/633618310.db2.gz WQFHRSYITSCROU-UHFFFAOYSA-N 0 0 303.790 2.048 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)O[C@H]1C[C@H](OC)C[C@H](OC)C1 ZINC000249172395 635194986 /nfs/dbraw/zinc/19/49/86/635194986.db2.gz CDUBVYDUXZEHCU-NHIYQJMISA-N 0 0 300.395 2.341 10 30 DEEERN CC(=O)N1CCC[C@@H](C(=O)OCC#Cc2ccccc2Cl)C1 ZINC000747008128 636143990 /nfs/dbraw/zinc/14/39/90/636143990.db2.gz PPWBRCIUDWHIGR-OAHLLOKOSA-N 0 0 319.788 2.493 10 30 DEEERN CCN1CCCC[C@H]1C(=O)OCC#Cc1cccc(OC)c1 ZINC000126214605 636231049 /nfs/dbraw/zinc/23/10/49/636231049.db2.gz XWNBHAAIRPCKQT-KRWDZBQOSA-N 0 0 301.386 2.464 10 30 DEEERN Cc1nn(CCC#N)c(C)c1CCC(=O)OCC(F)(F)F ZINC000073720083 636245543 /nfs/dbraw/zinc/24/55/43/636245543.db2.gz XFFBYGRIUXKHFX-UHFFFAOYSA-N 0 0 303.284 2.452 10 30 DEEERN CC(=O)N1CC[C@](C)(C(=O)OCC#Cc2ccccc2Cl)C1 ZINC000747078158 636397973 /nfs/dbraw/zinc/39/79/73/636397973.db2.gz CWRQFBYWRYKTAC-KRWDZBQOSA-N 0 0 319.788 2.493 10 30 DEEERN C=C(C)[C@H]1CC=C(COC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000747175604 636426548 /nfs/dbraw/zinc/42/65/48/636426548.db2.gz CBDHIGUYINKBBJ-LBPRGKRZSA-N 0 0 306.322 2.032 10 30 DEEERN C#C[C@@H](C)NC(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000186063208 637636765 /nfs/dbraw/zinc/63/67/65/637636765.db2.gz KEJKYFJGNHQWRG-GFCCVEGCSA-N 0 0 309.410 2.049 10 30 DEEERN N#CCn1cc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cn1 ZINC000741679187 638001942 /nfs/dbraw/zinc/00/19/42/638001942.db2.gz MKCFUTRPODQGEQ-YPMHNXCESA-N 0 0 302.284 2.427 10 30 DEEERN C#CCOc1ccc(C(=O)N2CCC(c3ncc[nH]3)CC2)cc1 ZINC000741681777 638002341 /nfs/dbraw/zinc/00/23/41/638002341.db2.gz FLLRUOZMLAWUSI-UHFFFAOYSA-N 0 0 309.369 2.442 10 30 DEEERN C#CCSCCNC(=O)N(CCC)CCc1ccccn1 ZINC000121488236 650390518 /nfs/dbraw/zinc/39/05/18/650390518.db2.gz RINXYRGMSZMHSH-UHFFFAOYSA-N 0 0 305.447 2.412 10 30 DEEERN C#C[C@@H](C)OC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000744181417 638199097 /nfs/dbraw/zinc/19/90/97/638199097.db2.gz OVRNHOYMYDYOIO-HIFRSBDPSA-N 0 0 317.360 2.172 10 30 DEEERN COc1ccc(CNC(=O)NCc2c(C)noc2C)cc1C#N ZINC000746715614 638372844 /nfs/dbraw/zinc/37/28/44/638372844.db2.gz DEKVGQYKGQEKSQ-UHFFFAOYSA-N 0 0 314.345 2.171 10 30 DEEERN COc1ccc(CNC(=O)[C@H](C)Oc2cccnc2)cc1C#N ZINC000746878828 638383354 /nfs/dbraw/zinc/38/33/54/638383354.db2.gz WBRIWNTXPFNCKV-LBPRGKRZSA-N 0 0 311.341 2.046 10 30 DEEERN C=C(C)CN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)OC)cc1 ZINC000747230122 638420760 /nfs/dbraw/zinc/42/07/60/638420760.db2.gz DVIDRFBCTFLGFK-FLIBITNWSA-N 0 0 323.414 2.460 10 30 DEEERN COC[C@@H]1CCCN(C(=O)NCc2ccc(OC)c(C#N)c2)C1 ZINC000747430457 638436795 /nfs/dbraw/zinc/43/67/95/638436795.db2.gz BDVUNLKYPMSHFE-CQSZACIVSA-N 0 0 317.389 2.135 10 30 DEEERN COc1ccc(CNC(=O)COc2cccc(C=O)c2)cc1C#N ZINC000747444180 638437698 /nfs/dbraw/zinc/43/76/98/638437698.db2.gz MQUUYFHSDPOOQY-UHFFFAOYSA-N 0 0 324.336 2.075 10 30 DEEERN CS(=O)(=O)c1ccc(NN=Cc2cc(C#N)cs2)cc1 ZINC000748075046 638505562 /nfs/dbraw/zinc/50/55/62/638505562.db2.gz FISSOWSVBGQNJJ-UHFFFAOYSA-N 0 0 305.384 2.469 10 30 DEEERN N#Cc1cccc(CC(=O)NC[C@]2(O)CCCc3ccccc32)c1 ZINC000749402419 638643969 /nfs/dbraw/zinc/64/39/69/638643969.db2.gz DPNWMSXTWVJZRI-HXUWFJFHSA-N 0 0 320.392 2.441 10 30 DEEERN C=C(Br)CN1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000750289996 638732239 /nfs/dbraw/zinc/73/22/39/638732239.db2.gz YJUQTGGPZLZWTD-SNVBAGLBSA-N 0 0 314.183 2.229 10 30 DEEERN CC(=O)Nc1nc(COC(=O)Cc2cccc(C#N)c2)cs1 ZINC000750430537 638743689 /nfs/dbraw/zinc/74/36/89/638743689.db2.gz NTCDZYCBGWXDFL-UHFFFAOYSA-N 0 0 315.354 2.259 10 30 DEEERN N#Cc1cccc(CC(=O)OCC(=O)OCc2ccccc2)c1 ZINC000750434450 638744944 /nfs/dbraw/zinc/74/49/44/638744944.db2.gz WNMGNMHMOXOTFB-UHFFFAOYSA-N 0 0 309.321 2.387 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)c1sc([C@@H](C)OC)nc1C ZINC000750448040 638745710 /nfs/dbraw/zinc/74/57/10/638745710.db2.gz PHVOJZAIZXDXBU-VHSXEESVSA-N 0 0 312.391 2.006 10 30 DEEERN COC(=O)c1ccc2c(cnn2CN(CCC#N)CC2CC2)c1 ZINC000728901504 639630197 /nfs/dbraw/zinc/63/01/97/639630197.db2.gz OTDQJNIXYHOZJP-UHFFFAOYSA-N 0 0 312.373 2.406 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1)C(C)(C)C ZINC000805148646 639848700 /nfs/dbraw/zinc/84/87/00/639848700.db2.gz INYPVASYRISURS-SNVBAGLBSA-N 0 0 320.336 2.427 10 30 DEEERN CN1C(=O)C[C@@H](C(=O)OCCCC#N)[C@H]1c1ccc(F)cc1 ZINC000179151704 640482260 /nfs/dbraw/zinc/48/22/60/640482260.db2.gz ANCQVWFVUHFVFG-UKRRQHHQSA-N 0 0 304.321 2.192 10 30 DEEERN N#Cc1ccncc1C(=O)OCc1noc(-c2ccccc2O)n1 ZINC000805715749 642813737 /nfs/dbraw/zinc/81/37/37/642813737.db2.gz UVMPJONCSPMEIZ-UHFFFAOYSA-N 0 0 322.280 2.066 10 30 DEEERN C=CC[C@H](NC(=O)C(=O)NCCCC1CC1)c1ccncc1 ZINC000805816190 643401027 /nfs/dbraw/zinc/40/10/27/643401027.db2.gz YWQQPAAQNQRLGA-HNNXBMFYSA-N 0 0 301.390 2.121 10 30 DEEERN CN(Cc1nncn1C)Cc1cc(Cl)ccc1OCC#N ZINC000805823566 643438525 /nfs/dbraw/zinc/43/85/25/643438525.db2.gz KEHBBRCLYWAKAD-UHFFFAOYSA-N 0 0 305.769 2.003 10 30 DEEERN C#CCSCCNC(=O)N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000801023011 645331593 /nfs/dbraw/zinc/33/15/93/645331593.db2.gz CAXUUDQPNWIZIJ-AWEZNQCLSA-N 0 0 322.405 2.487 10 30 DEEERN C=C(COC(=O)CCc1cccc(N(C)C)c1)C(=O)OCC ZINC000801877154 645456416 /nfs/dbraw/zinc/45/64/16/645456416.db2.gz ZYVSFBGQFKYVJP-UHFFFAOYSA-N 0 0 305.374 2.348 10 30 DEEERN C=CC[C@H](NC(=O)N1CCO[C@H](C(F)F)C1)c1ccncc1 ZINC000802172010 645491810 /nfs/dbraw/zinc/49/18/10/645491810.db2.gz XNRXWZSYAYYRRY-STQMWFEESA-N 0 0 311.332 2.374 10 30 DEEERN C#CCCCCCC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000802240525 645507173 /nfs/dbraw/zinc/50/71/73/645507173.db2.gz SRJMJELUNRNMOO-NVXWUHKLSA-N 0 0 307.434 2.254 10 30 DEEERN C#C[C@@H](C)Oc1ccc(COC(=O)CCc2ccnn2C)cc1 ZINC000802810216 645562858 /nfs/dbraw/zinc/56/28/58/645562858.db2.gz ZNCUNZMRTGZHPE-CQSZACIVSA-N 0 0 312.369 2.497 10 30 DEEERN C=C[C@@H](OC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)C(C)(C)C ZINC000802835283 645565808 /nfs/dbraw/zinc/56/58/08/645565808.db2.gz DJUIMFVIMKPIMS-DGCLKSJQSA-N 0 0 318.435 2.113 10 30 DEEERN C#CCCCCCC(=O)N1CCC[C@H](c2ccnc(N)n2)C1 ZINC000803234785 645620877 /nfs/dbraw/zinc/62/08/77/645620877.db2.gz QGGYADXKMPZDCD-AWEZNQCLSA-N 0 0 300.406 2.349 10 30 DEEERN CCC(CC)(C(=O)COC(=O)c1sccc1C#N)C(=O)OC ZINC000803323656 645634937 /nfs/dbraw/zinc/63/49/37/645634937.db2.gz HJIQXYWUQDEHGD-UHFFFAOYSA-N 0 0 323.370 2.325 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000803699981 645682579 /nfs/dbraw/zinc/68/25/79/645682579.db2.gz XTKDTPJBAHNKME-LBPRGKRZSA-N 0 0 308.337 2.340 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N1CCCc2ccccc21 ZINC000803701573 645682652 /nfs/dbraw/zinc/68/26/52/645682652.db2.gz YGTLTVUPLRMQGI-UHFFFAOYSA-N 0 0 309.365 2.172 10 30 DEEERN CC(C)(C)OCC[C@@H]1NC(=O)N(c2ccc(CC#N)cc2)C1=O ZINC000804200394 645739381 /nfs/dbraw/zinc/73/93/81/645739381.db2.gz HMSRQYRAELEWQU-AWEZNQCLSA-N 0 0 315.373 2.383 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCn2cncc2C1 ZINC000804452683 645773126 /nfs/dbraw/zinc/77/31/26/645773126.db2.gz KZGJVHOYZYHDOB-IRXDYDNUSA-N 0 0 307.397 2.196 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(F)cc2n[nH]nc21 ZINC000804456393 645774168 /nfs/dbraw/zinc/77/41/68/645774168.db2.gz XUKIJYABYVVQQX-AWEZNQCLSA-N 0 0 322.343 2.461 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1nn(C)cc1C#N ZINC000806331587 645820440 /nfs/dbraw/zinc/82/04/40/645820440.db2.gz NVPCNYQEPIGHID-OAHLLOKOSA-N 0 0 307.357 2.048 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000807097439 645911103 /nfs/dbraw/zinc/91/11/03/645911103.db2.gz PETYLNUWHGMNLG-UHFFFAOYSA-N 0 0 305.381 2.460 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[C@H](O)C1 ZINC000807467865 645954157 /nfs/dbraw/zinc/95/41/57/645954157.db2.gz 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/nfs/dbraw/zinc/66/07/18/646660718.db2.gz FHPWRASJYBXBQI-AWEZNQCLSA-N 0 0 315.369 2.395 10 30 DEEERN C#CCSCCNC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000172364027 646733963 /nfs/dbraw/zinc/73/39/63/646733963.db2.gz NQSGRHMEDINACY-NSHDSACASA-N 0 0 306.387 2.142 10 30 DEEERN C#CCSCCNC(=O)NCCOc1ccc(F)cc1F ZINC000172385483 646734550 /nfs/dbraw/zinc/73/45/50/646734550.db2.gz ZXFVCERLJOICAY-UHFFFAOYSA-N 0 0 314.357 2.009 10 30 DEEERN CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H](C#N)C2CC2)o1 ZINC000173261120 646764187 /nfs/dbraw/zinc/76/41/87/646764187.db2.gz VBDRFIYFXDESPG-LBPRGKRZSA-N 0 0 319.361 2.336 10 30 DEEERN C#CCOc1cccc(OC(=O)[C@H](C)NC(=O)c2ccccc2)c1 ZINC000730696215 647381144 /nfs/dbraw/zinc/38/11/44/647381144.db2.gz CPEABTZZVJASOX-AWEZNQCLSA-N 0 0 323.348 2.423 10 30 DEEERN C#CCOC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000738659822 647424633 /nfs/dbraw/zinc/42/46/33/647424633.db2.gz ABBBKRQPRYKEJU-UHFFFAOYSA-N 0 0 306.115 2.493 10 30 DEEERN N#CCc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000064243084 648042218 /nfs/dbraw/zinc/04/22/18/648042218.db2.gz TWJIHZHDCBJABP-UHFFFAOYSA-N 0 0 324.339 2.490 10 30 DEEERN C#Cc1cccc(NC(=O)c2ccnc(N3CCN(C)CC3)c2)c1 ZINC000068318774 648447510 /nfs/dbraw/zinc/44/75/10/648447510.db2.gz UGGNLXNOBVHMCS-UHFFFAOYSA-N 0 0 320.396 2.067 10 30 DEEERN CC(=O)N1CCC[C@@H](C(=O)OC[C@H](C#N)Cc2cccs2)C1 ZINC000180109633 648457668 /nfs/dbraw/zinc/45/76/68/648457668.db2.gz SYWSCIFHOMCEFL-UONOGXRCSA-N 0 0 320.414 2.232 10 30 DEEERN C=C[C@@H](CC)OC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000181205457 648581792 /nfs/dbraw/zinc/58/17/92/648581792.db2.gz VUAGEENPKCDORM-VIFPVBQESA-N 0 0 303.405 2.120 10 30 DEEERN C#CCCNC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000733246501 649463328 /nfs/dbraw/zinc/46/33/28/649463328.db2.gz KLPFKANEOFJESX-UHFFFAOYSA-N 0 0 318.332 2.240 10 30 DEEERN C#CCCNC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000733247630 649463672 /nfs/dbraw/zinc/46/36/72/649463672.db2.gz WHNZVJAQFDKJQG-UHFFFAOYSA-N 0 0 304.243 2.114 10 30 DEEERN C#CCCNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000733321079 649542541 /nfs/dbraw/zinc/54/25/41/649542541.db2.gz LQRJLJAKSYLZPS-UHFFFAOYSA-N 0 0 307.293 2.028 10 30 DEEERN C#CCCNC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000733366830 649555429 /nfs/dbraw/zinc/55/54/29/649555429.db2.gz NBECEAGFRSKCQW-UHFFFAOYSA-N 0 0 320.801 2.424 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)[C@H]1C[C@@H]1c1cccc(OC)c1 ZINC000106635687 651373194 /nfs/dbraw/zinc/37/31/94/651373194.db2.gz ZMBBEGXAKOMGKG-CVEARBPZSA-N 0 0 317.385 2.376 10 30 DEEERN C#CCOc1ccc(NC(=O)CNC(=O)c2ccsc2)cc1 ZINC000108453057 651645405 /nfs/dbraw/zinc/64/54/05/651645405.db2.gz SDWQAUYABXCUOB-UHFFFAOYSA-N 0 0 314.366 2.129 10 30 DEEERN N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)C(=O)N1CCCC1 ZINC000109184269 651868636 /nfs/dbraw/zinc/86/86/36/651868636.db2.gz DAJLDKARVSEORB-RWMBFGLXSA-N 0 0 318.323 2.400 10 30 DEEERN CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109184807 651868711 /nfs/dbraw/zinc/86/87/11/651868711.db2.gz WETIIWJSBLTQTC-IJLUTSLNSA-N 0 0 306.312 2.302 10 30 DEEERN O=C(C#Cc1ccccc1)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000081749135 683994371 /nfs/dbraw/zinc/99/43/71/683994371.db2.gz DPNNRNJNAHUNBC-SFHVURJKSA-N 0 0 318.376 2.350 10 30 DEEERN C#CC[C@@H](OC(=O)CCC(=O)N(CC)CC)c1ccccn1 ZINC000121140692 684106031 /nfs/dbraw/zinc/10/60/31/684106031.db2.gz JBPGSVIEACSYRG-OAHLLOKOSA-N 0 0 302.374 2.338 10 30 DEEERN CC(C)(C)OC(=O)CSCC(=O)[C@H](C#N)c1ccccn1 ZINC000122270310 684114069 /nfs/dbraw/zinc/11/40/69/684114069.db2.gz VUHOQAKJPQMXHT-LLVKDONJSA-N 0 0 306.387 2.333 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N[C@@H](C#N)C2CC2)C1 ZINC000126963475 684158764 /nfs/dbraw/zinc/15/87/64/684158764.db2.gz CFGNAKCMZMJVSN-YPMHNXCESA-N 0 0 307.394 2.052 10 30 DEEERN C#CCOc1ccc(C(=O)NCc2nccn2CC(C)C)cc1 ZINC000130781988 684192652 /nfs/dbraw/zinc/19/26/52/684192652.db2.gz PWXUWSXBKHERIU-UHFFFAOYSA-N 0 0 311.385 2.481 10 30 DEEERN COc1ccccc1NC(=O)[C@H](C#N)C(=O)CCCSC ZINC000131028214 684196078 /nfs/dbraw/zinc/19/60/78/684196078.db2.gz YKXLMZAFZNASPF-LLVKDONJSA-N 0 0 306.387 2.486 10 30 DEEERN C#C[C@@H](OC(=O)CCc1ccc(S(=O)(=O)CC)cc1)C1CC1 ZINC000134196186 684226549 /nfs/dbraw/zinc/22/65/49/684226549.db2.gz QLBLGVGRZJKJJV-MRXNPFEDSA-N 0 0 320.410 2.368 10 30 DEEERN C#CCN(CC#C)C(=O)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000190422216 684405366 /nfs/dbraw/zinc/40/53/66/684405366.db2.gz SZYJZGZBKNFFRF-UHFFFAOYSA-N 0 0 316.360 2.387 10 30 DEEERN COCCCNC(=O)C(C#N)=C(O)C=Cc1ccccc1Cl ZINC000193359035 685039014 /nfs/dbraw/zinc/03/90/14/685039014.db2.gz OFFHLXYPBSWWCY-SBDDDAINSA-N 0 0 320.776 2.215 10 30 DEEERN CC(C)CCN(CCC#N)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000246086182 685122559 /nfs/dbraw/zinc/12/25/59/685122559.db2.gz FFNVDYWIQNNUFE-HUUCEWRRSA-N 0 0 303.406 2.157 10 30 DEEERN CC(=O)N1C[C@H](Nc2cccc(C#N)n2)CC[C@H]1C(F)(F)F ZINC000886060654 691995195 /nfs/dbraw/zinc/99/51/95/691995195.db2.gz ZSKLRJQAEIEPIJ-NEPJUHHUSA-N 0 0 312.295 2.307 10 30 DEEERN CO[C@H]1CC[C@H]1N(C)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000724119708 777246168 /nfs/dbraw/zinc/24/61/68/777246168.db2.gz BZPICNRQCNQWII-NEPJUHHUSA-N 0 0 314.794 2.010 10 30 DEEERN C=CCN(CCOC)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000588581766 777510455 /nfs/dbraw/zinc/51/04/55/777510455.db2.gz BUNFCZXPBARHKL-VURMDHGXSA-N 0 0 320.345 2.420 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1nc(C)ncc1Cl ZINC000745379940 784726892 /nfs/dbraw/zinc/72/68/92/784726892.db2.gz XODNIECTCHMZSY-JTQLQIEISA-N 0 0 323.780 2.184 10 30 DEEERN C#CC[C@@H](COC)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000716329272 792952353 /nfs/dbraw/zinc/95/23/53/792952353.db2.gz QGJGDOAALINSGR-VIFPVBQESA-N 0 0 314.139 2.203 10 30 DEEERN C=CCCC[C@H](C)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000398185356 1082241712 /nfs/dbraw/zinc/24/17/12/1082241712.db2.gz YRSGDCLFGSEETI-NSHDSACASA-N 0 0 310.419 2.147 10 30 DEEERN C#CC1(O)CCN(C(=O)c2ccccc2Br)CC1 ZINC000708113244 1086676881 /nfs/dbraw/zinc/67/68/81/1086676881.db2.gz PWKALVVNVXEXED-UHFFFAOYSA-N 0 0 308.175 2.049 10 30 DEEERN C#C[C@H](CO)Nc1ncc(Br)cc1C(F)(F)F ZINC000718165218 1088395086 /nfs/dbraw/zinc/39/50/86/1088395086.db2.gz PFBRMQSDHTZGTI-SSDOTTSWSA-N 0 0 309.085 2.269 10 30 DEEERN C[C@H]1CCSCCN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000719973404 1089423347 /nfs/dbraw/zinc/42/33/47/1089423347.db2.gz PRVBDSUQKBCSEC-JTQLQIEISA-N 0 0 314.407 2.213 10 30 DEEERN CCSC1(CNS(=O)(=O)c2cc(F)cc(C#N)c2)CC1 ZINC000719971448 1089423580 /nfs/dbraw/zinc/42/35/80/1089423580.db2.gz BWCUVYDWUUASMS-UHFFFAOYSA-N 0 0 314.407 2.261 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)c1nc([C@H](C)c2cnccn2)no1 ZINC000624738826 365530481 /nfs/dbraw/zinc/53/04/81/365530481.db2.gz NISJKQCHIYSBGY-ZYHUDNBSSA-N 0 0 301.350 2.155 10 30 DEEERN C=CCn1c(-c2cccn2C)nnc1N1CC[C@@H](CO)C[C@H]1C ZINC000624816335 365558944 /nfs/dbraw/zinc/55/89/44/365558944.db2.gz FFGONZOKFPBRGX-ZIAGYGMSSA-N 0 0 315.421 2.067 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000076959300 185061116 /nfs/dbraw/zinc/06/11/16/185061116.db2.gz IJXANRHYWHNWHU-QWHCGFSZSA-N 0 0 309.410 2.252 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(CCOC)CCCC1 ZINC000612388595 361812480 /nfs/dbraw/zinc/81/24/80/361812480.db2.gz UGKBYRSGOGDNFN-HNNXBMFYSA-N 0 0 310.438 2.170 10 30 DEEERN C=CCN(C(C)(C)C)S(=O)(=O)c1cc(CO)n(CCC)c1 ZINC000162546247 197574511 /nfs/dbraw/zinc/57/45/11/197574511.db2.gz BDDSLZGUWKDORE-UHFFFAOYSA-N 0 0 314.451 2.366 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N1CCO[C@](C)(COC)C1 ZINC000624967597 365602120 /nfs/dbraw/zinc/60/21/20/365602120.db2.gz LGKLNWIQUVPUDS-INIZCTEOSA-N 0 0 308.426 2.219 10 30 DEEERN C=CC[C@H](C)NS(=O)(=O)C[C@@H](OC)c1ccc(F)cc1 ZINC000624975079 365604727 /nfs/dbraw/zinc/60/47/27/365604727.db2.gz QSIFGBYJMGKWFB-SMDDNHRTSA-N 0 0 301.383 2.397 10 30 DEEERN C=C(C)Cn1c(CC2CC2)nnc1N1CC[C@@H](CO)C[C@H]1C ZINC000624977019 365605842 /nfs/dbraw/zinc/60/58/42/365605842.db2.gz DQMHRRWKYHDDKG-UKRRQHHQSA-N 0 0 304.438 2.404 10 30 DEEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[C@@H](C)[C@@H](F)C1 ZINC000624990505 365608798 /nfs/dbraw/zinc/60/87/98/365608798.db2.gz DDQMGYBOPXGXQX-YPMHNXCESA-N 0 0 304.373 2.429 10 30 DEEERN C=CCN(CC=C)c1nnc(-c2cn[nH]c2)n1C[C@@H]1CCCO1 ZINC000625092088 365640204 /nfs/dbraw/zinc/64/02/04/365640204.db2.gz CVYMIBKDEMMPGD-AWEZNQCLSA-N 0 0 314.393 2.026 10 30 DEEERN C[C@@H]1CC[C@@](O)([C@]2(C#N)CCS(=O)(=O)C2)c2ccccc21 ZINC000164434954 197653798 /nfs/dbraw/zinc/65/37/98/197653798.db2.gz GXIPCTRFSGHVKP-KCXAZCMYSA-N 0 0 305.399 2.100 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CCC(C)(C)O1 ZINC000278605819 214270934 /nfs/dbraw/zinc/27/09/34/214270934.db2.gz VQGUKLIFUFAUPT-CQSZACIVSA-N 0 0 302.374 2.499 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](CCCO)c1ccccc1 ZINC000612506345 361845244 /nfs/dbraw/zinc/84/52/44/361845244.db2.gz XQOPWOYYCRXITI-DLBZAZTESA-N 0 0 318.417 2.087 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000612601288 361871307 /nfs/dbraw/zinc/87/13/07/361871307.db2.gz OYNHWXHREJQVCM-HZPDHXFCSA-N 0 0 322.449 2.455 10 30 DEEERN C=CCOCCNC(=O)Nc1ccc(C[C@@H](C)C(=O)OC)cc1 ZINC000612767034 361913371 /nfs/dbraw/zinc/91/33/71/361913371.db2.gz QKAFCACFGINWCQ-CYBMUJFWSA-N 0 0 320.389 2.362 10 30 DEEERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C#N)CC ZINC000245644462 529420053 /nfs/dbraw/zinc/42/00/53/529420053.db2.gz LERWQXZAQCFOLX-YUELXQCFSA-N 0 0 301.390 2.249 10 30 DEEERN CC1(C)CCCN(S(=O)(=O)c2ccc(C#N)cc2N)CC1 ZINC000087647679 185229917 /nfs/dbraw/zinc/22/99/17/185229917.db2.gz XFTGFSRLQMFJKN-UHFFFAOYSA-N 0 0 307.419 2.341 10 30 DEEERN COC(=O)CCSCc1cc(OC)ccc1C#CCCO ZINC000087788881 185232224 /nfs/dbraw/zinc/23/22/24/185232224.db2.gz DJYGTMJBMOVFQB-UHFFFAOYSA-N 0 0 308.399 2.225 10 30 DEEERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)/C=C/c1ccccc1C#N ZINC000088198515 185241691 /nfs/dbraw/zinc/24/16/91/185241691.db2.gz KMEJNIDQHYBLBD-FEAKQIBJSA-N 0 0 321.384 2.377 10 30 DEEERN CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1ccccc1C#CCO ZINC000088310841 185245149 /nfs/dbraw/zinc/24/51/49/185245149.db2.gz OJUNQRYTLMZKTH-UONOGXRCSA-N 0 0 309.431 2.133 10 30 DEEERN C#CCNC(=O)[C@@H](C)Nc1cc(OC)ccc1Br ZINC000088319692 185245442 /nfs/dbraw/zinc/24/54/42/185245442.db2.gz IVSOPFHLKRYRAX-SECBINFHSA-N 0 0 311.179 2.008 10 30 DEEERN CC[C@H](C#N)S(=O)(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000088485538 185253130 /nfs/dbraw/zinc/25/31/30/185253130.db2.gz KWMPRAWJDJTVMC-LLVKDONJSA-N 0 0 306.309 2.427 10 30 DEEERN Cc1c(C#CCCO)cccc1C(=O)N1CCSC[C@@H]1C ZINC000088443526 185250901 /nfs/dbraw/zinc/25/09/01/185250901.db2.gz AZURWHWPWAEWIQ-ZDUSSCGKSA-N 0 0 303.427 2.306 10 30 DEEERN N#C[C@@H](C(=O)Nc1cnc(Br)cn1)c1ccccc1 ZINC000088446454 185251129 /nfs/dbraw/zinc/25/11/29/185251129.db2.gz FXGMOAINBFWLOI-SNVBAGLBSA-N 0 0 317.146 2.485 10 30 DEEERN Cc1cncc(C(=O)NCc2cc(C#CCCO)cs2)c1 ZINC000088451830 185251357 /nfs/dbraw/zinc/25/13/57/185251357.db2.gz GOXPCBJUSRDGPN-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN Cc1nnc2sc(C(=O)N(C)[C@H](C)CC#N)c(N)c2c1C ZINC000088643394 185261315 /nfs/dbraw/zinc/26/13/15/185261315.db2.gz HJOAKYMDTUCWLX-SSDOTTSWSA-N 0 0 303.391 2.265 10 30 DEEERN CCc1ccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)s1 ZINC000363520809 529649276 /nfs/dbraw/zinc/64/92/76/529649276.db2.gz VPICMKJPAPEBJN-CYBMUJFWSA-N 0 0 318.446 2.192 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc2n[nH]cc2c(C)c1 ZINC000613159776 362021760 /nfs/dbraw/zinc/02/17/60/362021760.db2.gz OXZZCMZWRSFPGW-HNNXBMFYSA-N 0 0 300.362 2.281 10 30 DEEERN CC(=O)c1ccc([O-])c(NC(=O)CC2(C#N)CCOCC2)c1 ZINC000613284213 362069122 /nfs/dbraw/zinc/06/91/22/362069122.db2.gz KWLJVIUXLWTWRI-UHFFFAOYSA-N 0 0 302.330 2.244 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000613245576 362056162 /nfs/dbraw/zinc/05/61/62/362056162.db2.gz HDRBNQXWTAKFDD-IKGGRYGDSA-N 0 0 322.449 2.123 10 30 DEEERN C=CC[C@H]1CCCN(S(=O)(=O)C[C@H](OCC)C2CC2)C1 ZINC000625278036 365710200 /nfs/dbraw/zinc/71/02/00/365710200.db2.gz KKGHJMYYIJHXFG-ZFWWWQNUSA-N 0 0 301.452 2.419 10 30 DEEERN O=S(=O)(NCC#CCOc1ccccc1F)c1ccccc1 ZINC000090727693 185311405 /nfs/dbraw/zinc/31/14/05/185311405.db2.gz AQBSREHPNMLIND-UHFFFAOYSA-N 0 0 319.357 2.186 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)CCO3)C1 ZINC000625353294 365743506 /nfs/dbraw/zinc/74/35/06/365743506.db2.gz CBOQRBUZXDIAHW-GFCCVEGCSA-N 0 0 321.398 2.239 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)CCOCc2ccccc2)C1 ZINC000625355767 365745565 /nfs/dbraw/zinc/74/55/65/365745565.db2.gz VFELLLZELWAMIK-HNNXBMFYSA-N 0 0 309.431 2.431 10 30 DEEERN C[C@H](C#N)N1CCN(C(=O)[C@@H]2CCCc3sccc32)CC1 ZINC000168298049 197720491 /nfs/dbraw/zinc/72/04/91/197720491.db2.gz GRIQNKFGRGVKSW-TZMCWYRMSA-N 0 0 303.431 2.224 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@H]1c1cccnc1 ZINC000625378344 365754870 /nfs/dbraw/zinc/75/48/70/365754870.db2.gz JLIOECQLTSMIBX-HNNXBMFYSA-N 0 0 315.417 2.464 10 30 DEEERN COC(=O)[C@H]1CCN(c2cccc(Br)c2C#N)C1 ZINC000168573992 197725745 /nfs/dbraw/zinc/72/57/45/197725745.db2.gz YZASGIISLWRTCN-VIFPVBQESA-N 0 0 309.163 2.320 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NCc1ccc2c(c1)[nH]ccc2=O ZINC000614163325 362303526 /nfs/dbraw/zinc/30/35/26/362303526.db2.gz BEIWQHBXNROBQD-GOSISDBHSA-N 0 0 314.385 2.373 10 30 DEEERN C=CCNC(=O)c1ccc(N2CC[C@@]3(C)[C@@H](C2)C3(F)F)nc1 ZINC000291853075 222666055 /nfs/dbraw/zinc/66/60/55/222666055.db2.gz HLMDKLPGUQQQII-DOMZBBRYSA-N 0 0 307.344 2.479 10 30 DEEERN C=CCOc1ccc(CNC(=O)[C@H]2CCc3nc[nH]c3C2)cc1 ZINC000614680594 362436289 /nfs/dbraw/zinc/43/62/89/362436289.db2.gz WUSLLMNINNBXJK-AWEZNQCLSA-N 0 0 311.385 2.396 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CCc1ccccc1C ZINC000615474702 362616427 /nfs/dbraw/zinc/61/64/27/362616427.db2.gz MQUSKZPZIDZOHJ-QGZVFWFLSA-N 0 0 302.418 2.467 10 30 DEEERN N#CCCCS(=O)(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000111339353 185584498 /nfs/dbraw/zinc/58/44/98/185584498.db2.gz BLKQFSQPFDHFIS-ZDUSSCGKSA-N 0 0 322.386 2.186 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)C3CCC3)cc2C1=O ZINC000131239122 539498522 /nfs/dbraw/zinc/49/85/22/539498522.db2.gz XVISLINTFATONC-LLVKDONJSA-N 0 0 312.369 2.387 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000135036519 539512804 /nfs/dbraw/zinc/51/28/04/539512804.db2.gz TVPNWBLKSBVONK-INIZCTEOSA-N 0 0 306.410 2.015 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000615708975 362685370 /nfs/dbraw/zinc/68/53/70/362685370.db2.gz TUFUEHGEUYUNNZ-JFBPSJKJSA-N 0 0 302.418 2.128 10 30 DEEERN N#CC1(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000115468787 185686695 /nfs/dbraw/zinc/68/66/95/185686695.db2.gz APDKAMVMUYYBQY-RYUDHWBXSA-N 0 0 306.312 2.257 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000615979784 362743448 /nfs/dbraw/zinc/74/34/48/362743448.db2.gz ZBAPWLXCNMCELS-GVDBMIGSSA-N 0 0 316.401 2.138 10 30 DEEERN C=CCC1(NC(=O)CN2CCN(C3CC3)C2=O)CCCCC1 ZINC000615961758 362739620 /nfs/dbraw/zinc/73/96/20/362739620.db2.gz SXCNQBSCQLSSMB-UHFFFAOYSA-N 0 0 305.422 2.282 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(CCOC)[C@@H]1CC[C@@H](C)C1 ZINC000625589473 365844229 /nfs/dbraw/zinc/84/42/29/365844229.db2.gz LAZMVHHERIWLFP-HUUCEWRRSA-N 0 0 324.465 2.369 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1ccc2[nH]c(=O)n(C3CC3)c2c1 ZINC000616100696 362772525 /nfs/dbraw/zinc/77/25/25/362772525.db2.gz MKRDEFLYIYIOSH-LBPRGKRZSA-N 0 0 315.373 2.134 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](OC)c1cccc(OC)c1 ZINC000616409889 362850517 /nfs/dbraw/zinc/85/05/17/362850517.db2.gz YEMWXEHFRALOTD-BPUTZDHNSA-N 0 0 305.374 2.090 10 30 DEEERN N#Cc1cnc(N[C@@H]2CCN(c3ncccc3Cl)C2)cn1 ZINC000126980506 185909366 /nfs/dbraw/zinc/90/93/66/185909366.db2.gz YCSAOCDZAIERID-SNVBAGLBSA-N 0 0 300.753 2.087 10 30 DEEERN CN(Cc1ccc(C#CCCO)cc1)C(=O)[C@@H]1CCCS1 ZINC000070437976 190892538 /nfs/dbraw/zinc/89/25/38/190892538.db2.gz RQVABTYIRGJQOR-INIZCTEOSA-N 0 0 303.427 2.275 10 30 DEEERN O=c1ccc(C(F)(F)F)cn1Cc1sccc1C#CCO ZINC000071212055 190942767 /nfs/dbraw/zinc/94/27/67/190942767.db2.gz ONLULMQHMLFRRB-UHFFFAOYSA-N 0 0 313.300 2.321 10 30 DEEERN CC(C)[C@@]1(C)CC(=O)N(Cc2ccc(C#CCO)s2)C1=O ZINC000071323772 190957921 /nfs/dbraw/zinc/95/79/21/190957921.db2.gz BJYXHKMDLZJUST-MRXNPFEDSA-N 0 0 305.399 2.013 10 30 DEEERN Cc1noc(C)c1C(=O)NCc1cc(C#CCCO)cs1 ZINC000071322106 190957923 /nfs/dbraw/zinc/95/79/23/190957923.db2.gz WHLDJCOLUSUKEW-UHFFFAOYSA-N 0 0 304.371 2.017 10 30 DEEERN Cc1cccnc1CNC(=O)c1ccc(C#CCCO)s1 ZINC000071345916 190961444 /nfs/dbraw/zinc/96/14/44/190961444.db2.gz NEIZNXGGAOERJE-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN Cn1cc(C#N)cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C ZINC000083763242 192381430 /nfs/dbraw/zinc/38/14/30/192381430.db2.gz LGHVSEXXMOXMMP-LBPRGKRZSA-N 0 0 303.325 2.274 10 30 DEEERN C=CCS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1F ZINC000071530966 190988300 /nfs/dbraw/zinc/98/83/00/190988300.db2.gz DPUWZJCRFYOWBQ-ZETCQYMHSA-N 0 0 307.293 2.032 10 30 DEEERN Cc1ccc(C(=O)NCc2sccc2C#CCO)cc1F ZINC000148532544 186044804 /nfs/dbraw/zinc/04/48/04/186044804.db2.gz VZOKMZVGPCRFSN-UHFFFAOYSA-N 0 0 303.358 2.469 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000186066108 186237679 /nfs/dbraw/zinc/23/76/79/186237679.db2.gz WAIFYJNTONHYRI-ZDUSSCGKSA-N 0 0 321.396 2.276 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCCN1C(=O)CCC1=O ZINC000617037236 363006963 /nfs/dbraw/zinc/00/69/63/363006963.db2.gz JWHGWOUDWCELQX-KGLIPLIRSA-N 0 0 306.406 2.167 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cn1nnc2c1CCCC2 ZINC000617043976 363007938 /nfs/dbraw/zinc/00/79/38/363007938.db2.gz HJSKSDLBHKWEQX-UONOGXRCSA-N 0 0 302.422 2.408 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cn1c(C)cc(C)nc1=O ZINC000617042733 363008015 /nfs/dbraw/zinc/00/80/15/363008015.db2.gz VITXPCQBYOCVBH-HUUCEWRRSA-N 0 0 303.406 2.111 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CC(=O)NCC(F)(F)F ZINC000617041851 363008102 /nfs/dbraw/zinc/00/81/02/363008102.db2.gz JXJOQQGNEPDINZ-QWRGUYRKSA-N 0 0 306.328 2.306 10 30 DEEERN C=CCn1cc(C(=O)Nc2nnc(CCC(C)C)s2)nn1 ZINC000617093237 363020729 /nfs/dbraw/zinc/02/07/29/363020729.db2.gz ICGMLBBKGYKCPT-UHFFFAOYSA-N 0 0 306.395 2.157 10 30 DEEERN C[C@@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(C)(C)C ZINC000171951273 198014104 /nfs/dbraw/zinc/01/41/04/198014104.db2.gz HVRMIEOZQJHITR-CYBMUJFWSA-N 0 0 315.421 2.219 10 30 DEEERN CC(=O)N1CCC(CNC(=O)NCC2(C#N)CCCCC2)CC1 ZINC000595499410 358465683 /nfs/dbraw/zinc/46/56/83/358465683.db2.gz YOCKCDPZBNDURJ-UHFFFAOYSA-N 0 0 320.437 2.018 10 30 DEEERN C=CCCC1(CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)CCCC1 ZINC000617416554 363128083 /nfs/dbraw/zinc/12/80/83/363128083.db2.gz VWNIFBRYFRAZMH-OAHLLOKOSA-N 0 0 322.449 2.124 10 30 DEEERN C=CCn1cc(C(=O)N2CCc3ccccc3C(C)(C)C2)nn1 ZINC000617520814 363165659 /nfs/dbraw/zinc/16/56/59/363165659.db2.gz BXPJLKRTGJIYOM-UHFFFAOYSA-N 0 0 310.401 2.440 10 30 DEEERN O=C(NCC1CC(c2ccccc2)C1)N[C@H]1CC[S@@](=O)C1 ZINC000328697210 539909897 /nfs/dbraw/zinc/90/98/97/539909897.db2.gz LFIFXUIGKANQKI-FUNHBSOVSA-N 0 0 306.431 2.205 10 30 DEEERN Cc1oc2ncnc(NC(=O)CN3CCC(=O)NC3=O)c2c1C ZINC000329592297 539923854 /nfs/dbraw/zinc/92/38/54/539923854.db2.gz ZGKXEJNPABFAMZ-UHFFFAOYSA-N 0 0 317.305 2.210 10 30 DEEERN C=CCN(C(=O)c1ccc(N(C)C(C)=O)cc1)[C@H](C)COC ZINC000617582725 363196145 /nfs/dbraw/zinc/19/61/45/363196145.db2.gz TVYPEYLQHJLTSL-CYBMUJFWSA-N 0 0 304.390 2.332 10 30 DEEERN C=CCN(C(=O)c1ccnc(OC(F)F)c1)[C@@H](C)COC ZINC000617583353 363196813 /nfs/dbraw/zinc/19/68/13/363196813.db2.gz HBVNZCNMKLUNOM-JTQLQIEISA-N 0 0 300.305 2.346 10 30 DEEERN COc1cc(OC)cc([C@@H]2CCN(C(=O)CSCC#N)C2)c1 ZINC000175397639 198470402 /nfs/dbraw/zinc/47/04/02/198470402.db2.gz MNNVEWMCELNQMF-GFCCVEGCSA-N 0 0 320.414 2.276 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NC(C3CC3)C3CC3)cc2C1=O ZINC000023352964 354058420 /nfs/dbraw/zinc/05/84/20/354058420.db2.gz DVHHAAHQWOEHJN-UHFFFAOYSA-N 0 0 324.380 2.387 10 30 DEEERN N#Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)c1 ZINC000045873062 354266424 /nfs/dbraw/zinc/26/64/24/354266424.db2.gz UMXMLGPAPWSBDV-CQSZACIVSA-N 0 0 309.325 2.395 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(C)n([C@@H]2CCCOC2)c1C ZINC000626448948 366191127 /nfs/dbraw/zinc/19/11/27/366191127.db2.gz RKJNQUXVDPUJAV-HUUCEWRRSA-N 0 0 306.406 2.123 10 30 DEEERN N#Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)cc1 ZINC000069831339 354878585 /nfs/dbraw/zinc/87/85/85/354878585.db2.gz UDPQTTIQAAURFA-AWEZNQCLSA-N 0 0 309.325 2.395 10 30 DEEERN N#Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)cc1 ZINC000069831337 354878775 /nfs/dbraw/zinc/87/87/75/354878775.db2.gz UDPQTTIQAAURFA-CQSZACIVSA-N 0 0 309.325 2.395 10 30 DEEERN CCOC(=O)C1(O)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000075053510 355065878 /nfs/dbraw/zinc/06/58/78/355065878.db2.gz AIDRXGAENJQSCY-UHFFFAOYSA-N 0 0 308.765 2.106 10 30 DEEERN C=CCCCN(C)C(=O)[C@H]1Cc2ccccc2CN1C(C)=O ZINC000076650211 355160049 /nfs/dbraw/zinc/16/00/49/355160049.db2.gz QDZGUIJAHBFLGH-QGZVFWFLSA-N 0 0 300.402 2.384 10 30 DEEERN C=CCCCN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000076484618 355151889 /nfs/dbraw/zinc/15/18/89/355151889.db2.gz DLFSFBYIJNXXRW-UHFFFAOYSA-N 0 0 306.318 2.404 10 30 DEEERN Cc1nnc(N2CCN(C(=O)CCC(C)C)CC2)c(C#N)c1C ZINC000079860677 355333717 /nfs/dbraw/zinc/33/37/17/355333717.db2.gz UPJGOKBQMBQPMQ-UHFFFAOYSA-N 0 0 315.421 2.050 10 30 DEEERN N#Cc1ccccc1OCC(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000079996161 355341329 /nfs/dbraw/zinc/34/13/29/355341329.db2.gz YQEYCWQYLCIWOR-GOSISDBHSA-N 0 0 314.385 2.356 10 30 DEEERN N#Cc1cc(F)c(N2CCCN(c3cccnn3)CC2)c(F)c1 ZINC000265797509 283096639 /nfs/dbraw/zinc/09/66/39/283096639.db2.gz JFFLAJRVZKKYLO-UHFFFAOYSA-N 0 0 315.327 2.343 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cn1ccnc1 ZINC000081301618 355418287 /nfs/dbraw/zinc/41/82/87/355418287.db2.gz MCJSGKMAXBXTCH-UHFFFAOYSA-N 0 0 300.318 2.006 10 30 DEEERN C=C[C@H](C)NC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000091705130 355605622 /nfs/dbraw/zinc/60/56/22/355605622.db2.gz LHGZTTJAXFUTNT-PSOPSSQASA-N 0 0 321.808 2.486 10 30 DEEERN COC(=O)CCC(C#N)(CCC(=O)OC)c1ccccc1F ZINC000090514110 355563403 /nfs/dbraw/zinc/56/34/03/355563403.db2.gz YFXINTFBSRXUAT-UHFFFAOYSA-N 0 0 307.321 2.493 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000448374378 540187151 /nfs/dbraw/zinc/18/71/51/540187151.db2.gz JPTXVVXBGMKRAR-UHFFFAOYSA-N 0 0 301.268 2.121 10 30 DEEERN CC(C)(C)OC(=O)N1CCN(c2cccc(C#N)c2)C(=O)C1 ZINC000116586527 355774829 /nfs/dbraw/zinc/77/48/29/355774829.db2.gz LFBMMCPIKBHTCY-UHFFFAOYSA-N 0 0 301.346 2.142 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCc1nnc(C2CCC2)n1C ZINC000129459033 355834680 /nfs/dbraw/zinc/83/46/80/355834680.db2.gz HKDZIOZWWZWDRG-UHFFFAOYSA-N 0 0 309.373 2.193 10 30 DEEERN N#C[C@H]1CCCN1S(=O)(=O)c1cccc(Br)c1 ZINC000079807222 191975233 /nfs/dbraw/zinc/97/52/33/191975233.db2.gz BWYLRKAGVGLNBQ-SNVBAGLBSA-N 0 0 315.192 2.126 10 30 DEEERN CC[C@H](NS(=O)(=O)c1ccccc1C#N)c1nccs1 ZINC000080276794 192020428 /nfs/dbraw/zinc/02/04/28/192020428.db2.gz RLWJEVDVCPXTNV-NSHDSACASA-N 0 0 307.400 2.444 10 30 DEEERN COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000184434419 356191137 /nfs/dbraw/zinc/19/11/37/356191137.db2.gz FLTBZAPBPGMIGV-ABAIWWIYSA-N 0 0 304.346 2.089 10 30 DEEERN O=[N+]([O-])c1ccc(/C=N/NC(=S)N[C@H]2C[C@H]3C=C[C@@H]2C3)cc1 ZINC000215723747 356271589 /nfs/dbraw/zinc/27/15/89/356271589.db2.gz NGSNIKMIAFFSKP-KYICCZELSA-N 0 0 316.386 2.357 10 30 DEEERN C=CCSCCNC(=O)CN1C(=O)CSc2ccccc21 ZINC000194500512 356240145 /nfs/dbraw/zinc/24/01/45/356240145.db2.gz PPDJWAOAQRQXTH-UHFFFAOYSA-N 0 0 322.455 2.161 10 30 DEEERN COc1ccc(OC)c([C@H](C)NC(=O)c2cc(C#N)cn2C)c1 ZINC000080944544 192204256 /nfs/dbraw/zinc/20/42/56/192204256.db2.gz OAQXXCVUDGEVSF-NSHDSACASA-N 0 0 313.357 2.405 10 30 DEEERN CCNC(=O)c1ccc(C)c(NC(=O)c2cc(C#N)cn2C)c1 ZINC000081027668 192216900 /nfs/dbraw/zinc/21/69/00/192216900.db2.gz CKBBMXPWCLYAPE-UHFFFAOYSA-N 0 0 310.357 2.207 10 30 DEEERN O=C[C@H]1CC[C@H](c2ncc(I)s2)O1 ZINC000306972591 356406152 /nfs/dbraw/zinc/40/61/52/356406152.db2.gz WFHRFBDBYAEOCM-PHDIDXHHSA-N 0 0 309.128 2.167 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(C)c(C(=O)OCC)s1 ZINC000184687172 199750343 /nfs/dbraw/zinc/75/03/43/199750343.db2.gz WFXIENZENIVRIC-JTQLQIEISA-N 0 0 312.391 2.292 10 30 DEEERN C[C@@H]1CN(C(=O)c2cc(C#N)cn2C)C[C@@H](c2ccccc2)O1 ZINC000081714257 192316362 /nfs/dbraw/zinc/31/63/62/192316362.db2.gz HBHOBIIQJYBJKN-DYVFJYSZSA-N 0 0 309.369 2.499 10 30 DEEERN C=CCOCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000618522702 363515038 /nfs/dbraw/zinc/51/50/38/363515038.db2.gz QLMAQKMESWZXHG-CVEARBPZSA-N 0 0 322.449 2.124 10 30 DEEERN C=CCOCCCNC(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O ZINC000618523289 363516034 /nfs/dbraw/zinc/51/60/34/363516034.db2.gz BUDFUJLQOHBOIU-UHFFFAOYSA-N 0 0 307.394 2.111 10 30 DEEERN C=CCOCCCNC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000618523871 363516250 /nfs/dbraw/zinc/51/62/50/363516250.db2.gz SSSFGVAPURSOBB-UHFFFAOYSA-N 0 0 318.295 2.345 10 30 DEEERN C=CCOCCCNC(=O)c1c(C)nn(CC(F)F)c1C ZINC000618526744 363516978 /nfs/dbraw/zinc/51/69/78/363516978.db2.gz RVBSJRCKYNAFKC-UHFFFAOYSA-N 0 0 301.337 2.088 10 30 DEEERN O=C(Nc1cc(C#CCO)ccc1Cl)c1ccncc1F ZINC000086316922 192561231 /nfs/dbraw/zinc/56/12/31/192561231.db2.gz MMPNVTSVVAVIJQ-UHFFFAOYSA-N 0 0 304.708 2.470 10 30 DEEERN C=CCCSCCNC(=O)NCC1(CF)CCOCC1 ZINC000595644913 358510640 /nfs/dbraw/zinc/51/06/40/358510640.db2.gz FARCVERUPATSQK-UHFFFAOYSA-N 0 0 304.431 2.361 10 30 DEEERN C=CCN(CC1CCCCC1)c1nnc([C@@H]2COCCO2)n1C ZINC000578077823 356757883 /nfs/dbraw/zinc/75/78/83/356757883.db2.gz MGXNWOZDTJZGBO-HNNXBMFYSA-N 0 0 320.437 2.476 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1ccc(OC)cc1 ZINC000578525168 356832356 /nfs/dbraw/zinc/83/23/56/356832356.db2.gz BONSSOBAZCDCMJ-HOCLYGCPSA-N 0 0 304.390 2.428 10 30 DEEERN C=CCCCCCNC(=O)N1CCC(c2nncn2C)CC1 ZINC000579371872 356966620 /nfs/dbraw/zinc/96/66/20/356966620.db2.gz ALUCKMKBPVZYEA-UHFFFAOYSA-N 0 0 305.426 2.451 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000579464031 356977933 /nfs/dbraw/zinc/97/79/33/356977933.db2.gz XHUMDAZEFJQHMX-WFASDCNBSA-N 0 0 314.385 2.237 10 30 DEEERN CC(C)CC[C@@H](C)NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000585683197 357346166 /nfs/dbraw/zinc/34/61/66/357346166.db2.gz AXVWKKKIFJDMHK-GFCCVEGCSA-N 0 0 319.380 2.254 10 30 DEEERN CCOc1cccc(CCNC(=O)c2ccc(F)c(C#N)c2)n1 ZINC000585746058 357351530 /nfs/dbraw/zinc/35/15/30/357351530.db2.gz YMIKXHGQWKGJRR-UHFFFAOYSA-N 0 0 313.332 2.464 10 30 DEEERN N#Cc1cc(NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)ccn1 ZINC000588025804 357390092 /nfs/dbraw/zinc/39/00/92/357390092.db2.gz YHPLDRTWHFWHSD-JTQLQIEISA-N 0 0 321.306 2.265 10 30 DEEERN N#Cc1ccc(CNC(=O)c2ccc3oc(=O)[nH]c3c2)c(F)c1 ZINC000588156855 357398566 /nfs/dbraw/zinc/39/85/66/357398566.db2.gz HVJVDLGNPLARTB-UHFFFAOYSA-N 0 0 311.272 2.474 10 30 DEEERN C=CCCCS(=O)(=O)N1CCC(CCC(=O)OCC)CC1 ZINC000589902197 357504793 /nfs/dbraw/zinc/50/47/93/357504793.db2.gz DYCQEQRNTYZGHS-UHFFFAOYSA-N 0 0 317.451 2.338 10 30 DEEERN C=CCC1(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCOCC1 ZINC000591758859 357756839 /nfs/dbraw/zinc/75/68/39/357756839.db2.gz OLNUMXYAQOUHBX-INIZCTEOSA-N 0 0 319.449 2.052 10 30 DEEERN CC[C@@H]1CN(C(=O)c2cc(C#N)cs2)CCN1CC(F)F ZINC000179410314 199030883 /nfs/dbraw/zinc/03/08/83/199030883.db2.gz MVTAPXAMVIRKCI-LLVKDONJSA-N 0 0 313.373 2.421 10 30 DEEERN COC(=O)C1CCC(C(=O)NCc2ccc(C#N)cc2)CC1 ZINC000179507722 199047232 /nfs/dbraw/zinc/04/72/32/199047232.db2.gz GLKXTKBRMDZKHT-UHFFFAOYSA-N 0 0 300.358 2.154 10 30 DEEERN CC(C)(C)c1ccc(CCNC(=O)Cn2ccnc2C#N)cc1 ZINC000179872172 199090134 /nfs/dbraw/zinc/09/01/34/199090134.db2.gz ZTWKASMONBKXBC-UHFFFAOYSA-N 0 0 310.401 2.411 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000185124455 199812401 /nfs/dbraw/zinc/81/24/01/199812401.db2.gz QEKXZSCJCAINJZ-DZGCQCFKSA-N 0 0 304.390 2.489 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc2c(cc1C)OCO2 ZINC000180267560 199138510 /nfs/dbraw/zinc/13/85/10/199138510.db2.gz QTMMNRRIVBYMEJ-UHFFFAOYSA-N 0 0 304.346 2.087 10 30 DEEERN C=CCCn1cc(C[S@](=O)Cc2sc(C)nc2C)nn1 ZINC000593936753 358174820 /nfs/dbraw/zinc/17/48/20/358174820.db2.gz ZSOCMHMTKKVWKC-FQEVSTJZSA-N 0 0 310.448 2.376 10 30 DEEERN C=CCCC(=O)N[C@@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000594207813 358224539 /nfs/dbraw/zinc/22/45/39/358224539.db2.gz GSEFFDXTPOPPTP-AWEZNQCLSA-N 0 0 304.390 2.417 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCc2cc(OC)ccc2C1 ZINC000618801729 363606778 /nfs/dbraw/zinc/60/67/78/363606778.db2.gz CZFDVKOXTJTUJV-QGZVFWFLSA-N 0 0 316.401 2.051 10 30 DEEERN CC(=O)N1CC[C@H](CNc2cc(C)c([N+](=O)[O-])cc2C#N)C1 ZINC000596235574 358648432 /nfs/dbraw/zinc/64/84/32/358648432.db2.gz WWEBAMFSAYQGET-GFCCVEGCSA-N 0 0 302.334 2.055 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000181198172 199264542 /nfs/dbraw/zinc/26/45/42/199264542.db2.gz IQBYPWFTHYPRSB-WFASDCNBSA-N 0 0 301.390 2.226 10 30 DEEERN C=CCN(CCC#N)C(=O)Nc1ccc2c(c1)CCN(C)C2=O ZINC000597039794 358809739 /nfs/dbraw/zinc/80/97/39/358809739.db2.gz XFFXXFNRIZDRQB-UHFFFAOYSA-N 0 0 312.373 2.248 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCCSCC(C)C ZINC000597443728 358918059 /nfs/dbraw/zinc/91/80/59/358918059.db2.gz XPPLDDVGIVPLMN-AWEZNQCLSA-N 0 0 300.468 2.353 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC(C)(C)CC#N ZINC000597342304 358893251 /nfs/dbraw/zinc/89/32/51/358893251.db2.gz MCRROXQFUDCEKR-KBPBESRZSA-N 0 0 305.422 2.294 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000597627186 358967336 /nfs/dbraw/zinc/96/73/36/358967336.db2.gz LDAVPSSMGGSFGH-OAHLLOKOSA-N 0 0 319.792 2.299 10 30 DEEERN C=CCCCCNC(=O)C(=O)Nc1ccc(COC)c(OC)c1 ZINC000627489418 366532538 /nfs/dbraw/zinc/53/25/38/366532538.db2.gz ARAPFAGYDQGVNI-UHFFFAOYSA-N 0 0 320.389 2.253 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)N(C)C[C@H](O)CO ZINC000276474126 212904453 /nfs/dbraw/zinc/90/44/53/212904453.db2.gz ZJNVFQYVVYHTDL-AWEZNQCLSA-N 0 0 306.406 2.355 10 30 DEEERN C=CCCSCCNC(=O)[C@H]1CCCN1CC(F)(F)F ZINC000597969973 359054370 /nfs/dbraw/zinc/05/43/70/359054370.db2.gz JCXLWVULYSSSKA-LLVKDONJSA-N 0 0 310.385 2.439 10 30 DEEERN C=CCC1(C(=O)NC[C@@H](CC(=O)OC)C2CC2)CCOCC1 ZINC000598273912 359145067 /nfs/dbraw/zinc/14/50/67/359145067.db2.gz HSNKRCVBAPYIBF-CQSZACIVSA-N 0 0 309.406 2.065 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnn(-c2ccccc2C)c1CC ZINC000186370356 199949888 /nfs/dbraw/zinc/94/98/88/199949888.db2.gz QXWRORDUVFBBLL-CQSZACIVSA-N 0 0 313.401 2.410 10 30 DEEERN C=CCSCCNC(=O)NC[C@]1(C)COc2ccccc2O1 ZINC000598978656 359374706 /nfs/dbraw/zinc/37/47/06/359374706.db2.gz PZSJMSWYZOGHKB-MRXNPFEDSA-N 0 0 322.430 2.435 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C#N)ccc1OCC ZINC000598809505 359332204 /nfs/dbraw/zinc/33/22/04/359332204.db2.gz HBZQVNFRORMYLT-OAHLLOKOSA-N 0 0 315.373 2.366 10 30 DEEERN C=CCCn1cc(CN2CC[C@H](C(=O)OC)[C@H]3CCC[C@@H]32)nn1 ZINC000599644782 359553779 /nfs/dbraw/zinc/55/37/79/359553779.db2.gz BUHRVTXGBVYIEQ-PMPSAXMXSA-N 0 0 318.421 2.018 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000599995238 359631026 /nfs/dbraw/zinc/63/10/26/359631026.db2.gz PILPMUYQAGYHKA-UHFFFAOYSA-N 0 0 318.373 2.130 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000600026236 359635901 /nfs/dbraw/zinc/63/59/01/359635901.db2.gz SDLKPHZEQAFJBU-GFCCVEGCSA-N 0 0 317.345 2.266 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2ccc(OCC(=O)OC)cc2)C1 ZINC000600212484 359690925 /nfs/dbraw/zinc/69/09/25/359690925.db2.gz DXOZAYOQZPSGPI-ZDUSSCGKSA-N 0 0 303.358 2.277 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000600212398 359691339 /nfs/dbraw/zinc/69/13/39/359691339.db2.gz CRHHJOZFTLXNFE-CYBMUJFWSA-N 0 0 303.362 2.456 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)OC ZINC000600435417 359741912 /nfs/dbraw/zinc/74/19/12/359741912.db2.gz KWXFJABZVDOWQA-ZFWWWQNUSA-N 0 0 309.406 2.229 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CC[C@H](C(=O)OC)[C@@H]2CCC[C@@H]21 ZINC000600548850 359767165 /nfs/dbraw/zinc/76/71/65/359767165.db2.gz TYBHYHRSXWADGU-QPSCCSFWSA-N 0 0 309.406 2.158 10 30 DEEERN C=CCCNC(=O)C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000627638200 366574813 /nfs/dbraw/zinc/57/48/13/366574813.db2.gz IVHNYSQEBVZUCR-UHFFFAOYSA-N 0 0 302.374 2.211 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc3n[nH]cc3c(C)c2)C1 ZINC000627732937 366603564 /nfs/dbraw/zinc/60/35/64/366603564.db2.gz HNXDOFGGACJGPJ-GFCCVEGCSA-N 0 0 312.373 2.234 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2[C@@H](C)C2CC2)C1 ZINC000627733883 366603728 /nfs/dbraw/zinc/60/37/28/366603728.db2.gz GRCJKKHHGOYSHH-QWHCGFSZSA-N 0 0 316.405 2.217 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(N(C)C)c2C)C1 ZINC000627733802 366603756 /nfs/dbraw/zinc/60/37/56/366603756.db2.gz DMQKRRARMOZTBA-CQSZACIVSA-N 0 0 315.417 2.424 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601179099 359954608 /nfs/dbraw/zinc/95/46/08/359954608.db2.gz LGGUSIYKDJASLQ-YUMQZZPRSA-N 0 0 320.271 2.350 10 30 DEEERN C=C(C)CCc1noc(CC2(C(=O)OCC)CCOCC2)n1 ZINC000601375738 360023380 /nfs/dbraw/zinc/02/33/80/360023380.db2.gz PAFJRDXBAWAOEJ-UHFFFAOYSA-N 0 0 308.378 2.481 10 30 DEEERN C=C(C)C[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)C(=O)OC ZINC000601503164 360056152 /nfs/dbraw/zinc/05/61/52/360056152.db2.gz YXYBUZWOELHWEF-AWEZNQCLSA-N 0 0 311.403 2.090 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cc1ccc(OCC)cc1)C(=O)OC ZINC000601770141 360139199 /nfs/dbraw/zinc/13/91/99/360139199.db2.gz AHRKOMKCKDCWRW-OAHLLOKOSA-N 0 0 305.374 2.252 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCc1nc2ccccc2o1)C(=O)OC ZINC000601770310 360140415 /nfs/dbraw/zinc/14/04/15/360140415.db2.gz BZYFZDWNPJRIGT-CYBMUJFWSA-N 0 0 316.357 2.384 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](C)Cc1ccc(OC)cc1)C(=O)OC ZINC000601785766 360148422 /nfs/dbraw/zinc/14/84/22/360148422.db2.gz CKYNJDCHISYORY-BBRMVZONSA-N 0 0 319.401 2.498 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(C)n([C@H](C)CC)n1)C(=O)OC ZINC000601786901 360149547 /nfs/dbraw/zinc/14/95/47/360149547.db2.gz JJSYQJUTBZKGPY-BXUZGUMPSA-N 0 0 307.394 2.400 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)OC ZINC000601788349 360150521 /nfs/dbraw/zinc/15/05/21/360150521.db2.gz UGVFCJPPKVMQTL-HNNXBMFYSA-N 0 0 312.369 2.479 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(SCC)nc1)C(=O)OC ZINC000601787632 360150577 /nfs/dbraw/zinc/15/05/77/360150577.db2.gz 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/nfs/dbraw/zinc/31/89/91/360318991.db2.gz ODGSKXUORGLBBY-ZDUSSCGKSA-N 0 0 313.401 2.454 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C)CCSCC ZINC000602244819 360321802 /nfs/dbraw/zinc/32/18/02/360321802.db2.gz FWONCLCNEIPHBN-LBPRGKRZSA-N 0 0 300.468 2.353 10 30 DEEERN CO[C@H](C)CNc1cc(C#N)c([N+](=O)[O-])c(NC[C@H](C)OC)c1 ZINC000189919880 200470441 /nfs/dbraw/zinc/47/04/41/200470441.db2.gz OQOZWLCHTJWTJO-MNOVXSKESA-N 0 0 322.365 2.360 10 30 DEEERN C=CCCC(=O)Cn1c(=O)sc2c1[C@H](C(=O)OCC)CCC2 ZINC000603352227 360803799 /nfs/dbraw/zinc/80/37/99/360803799.db2.gz GYSJNZGJIXYZFI-GFCCVEGCSA-N 0 0 323.414 2.428 10 30 DEEERN C=CC[C@H](C)NC(=O)c1ncc(I)s1 ZINC000603436778 360831816 /nfs/dbraw/zinc/83/18/16/360831816.db2.gz DHUVBCOAISPAJW-LURJTMIESA-N 0 0 322.171 2.442 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@H](C(=O)OC)c1cccc(O)c1)OCC ZINC000271905328 209312056 /nfs/dbraw/zinc/31/20/56/209312056.db2.gz KXFMNLCJPDZIFV-HOCLYGCPSA-N 0 0 321.373 2.094 10 30 DEEERN CC(C)(CO)[C@H](CNC(=O)c1ccnc(C#N)c1)c1ccccc1 ZINC000193630480 201092203 /nfs/dbraw/zinc/09/22/03/201092203.db2.gz YJZGWVBUJKMIPL-QGZVFWFLSA-N 0 0 323.396 2.485 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@@H](C)Sc1nnnn1C1CC1 ZINC000628316680 366807619 /nfs/dbraw/zinc/80/76/19/366807619.db2.gz FGYZVGYNVIEPCS-SNVBAGLBSA-N 0 0 309.439 2.207 10 30 DEEERN N#Cc1ccc(NC(=O)N2CCN(C3CC3)C(=O)C2)c(Cl)c1 ZINC000610877263 361483930 /nfs/dbraw/zinc/48/39/30/361483930.db2.gz HCQLMHATWRGCRK-UHFFFAOYSA-N 0 0 318.764 2.050 10 30 DEEERN N#Cc1ccc(NC(=O)NC2(CCO)CCOCC2)c(Cl)c1 ZINC000610936368 361495095 /nfs/dbraw/zinc/49/50/95/361495095.db2.gz KEOHORPUGUETAU-UHFFFAOYSA-N 0 0 323.780 2.265 10 30 DEEERN CC(C)(C#N)c1ccc(C(=O)NC2(CCO)CCOCC2)cc1 ZINC000619442126 363795807 /nfs/dbraw/zinc/79/58/07/363795807.db2.gz BTKHDQBPVXLVHD-UHFFFAOYSA-N 0 0 316.401 2.149 10 30 DEEERN Cn1ccnc1C[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1ccccc1 ZINC000611472303 361605030 /nfs/dbraw/zinc/60/50/30/361605030.db2.gz DWOJBLJIVSBWER-MRXNPFEDSA-N 0 0 319.368 2.334 10 30 DEEERN C=CC[C@H]1CCCN(c2nnc(COC)n2C[C@@H]2CCCO2)C1 ZINC000611875585 361697377 /nfs/dbraw/zinc/69/73/77/361697377.db2.gz UBGJGOQLVISFAM-GJZGRUSLSA-N 0 0 320.437 2.396 10 30 DEEERN C=CC[C@@H]1CCCN(c2nnc(COC)n2C[C@@H]2CCCO2)C1 ZINC000611875584 361697854 /nfs/dbraw/zinc/69/78/54/361697854.db2.gz UBGJGOQLVISFAM-CABCVRRESA-N 0 0 320.437 2.396 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)Cc1ncc(CC)s1 ZINC000611881520 361699794 /nfs/dbraw/zinc/69/97/94/361699794.db2.gz FXWDWCCLZKTSNE-CYBMUJFWSA-N 0 0 309.435 2.135 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCO[C@H](CC)C1 ZINC000611995489 361721858 /nfs/dbraw/zinc/72/18/58/361721858.db2.gz WRXKBZRSDLHULW-FPCVCCKLSA-N 0 0 322.449 2.311 10 30 DEEERN C=CCCC1(CNC(=O)C(=O)NC[C@H]2CC[C@@H](C)O2)CCCC1 ZINC000611950794 361711425 /nfs/dbraw/zinc/71/14/25/361711425.db2.gz XSBDQAMHDMIPHS-HUUCEWRRSA-N 0 0 322.449 2.313 10 30 DEEERN CCOC(=O)CC1([C@H]2CO2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000675052693 541285833 /nfs/dbraw/zinc/28/58/33/541285833.db2.gz 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ZINC000620647618 364109950 /nfs/dbraw/zinc/10/99/50/364109950.db2.gz FXUXYVRHCCGUCU-CYBMUJFWSA-N 0 0 305.378 2.198 10 30 DEEERN C=CCC1(C(=O)N2CCN(c3nccnn3)CC2)CCCCC1 ZINC000628382721 366837508 /nfs/dbraw/zinc/83/75/08/366837508.db2.gz GHBUXXYFRKNTLB-UHFFFAOYSA-N 0 0 315.421 2.047 10 30 DEEERN C=CC[C@H]1CCN(C(=O)[C@]2(c3ccccc3)CCC(=O)NC2)C1 ZINC000628492669 366866410 /nfs/dbraw/zinc/86/64/10/366866410.db2.gz ZGSIRKUNCFAZKL-HNAYVOBHSA-N 0 0 312.413 2.259 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N(C)Cc1c(C)cc(C)nc1OC ZINC000622261334 364729549 /nfs/dbraw/zinc/72/95/49/364729549.db2.gz AJJCGKKRFVUFIJ-HIFRSBDPSA-N 0 0 304.390 2.257 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC000622801853 364800146 /nfs/dbraw/zinc/80/01/46/364800146.db2.gz KLTAMJWRFGBCOX-ROUUACIJSA-N 0 0 314.429 2.473 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@@H]1c2ccccc2CN(C)C1=O)OCC ZINC000623270480 364959135 /nfs/dbraw/zinc/95/91/35/364959135.db2.gz HJHCXIOUAGYEFY-DOTOQJQBSA-N 0 0 316.401 2.187 10 30 DEEERN C=C(C)[C@H](CC(=O)N1Cc2ccccc2N(C)C(=O)C1)OCC ZINC000623278479 364963555 /nfs/dbraw/zinc/96/35/55/364963555.db2.gz XLCSIHISQUFIDB-INIZCTEOSA-N 0 0 316.401 2.363 10 30 DEEERN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](O)C2CCC2)cc1 ZINC000449262499 240272804 /nfs/dbraw/zinc/27/28/04/240272804.db2.gz HWCHDJNHRLLGBY-AWEZNQCLSA-N 0 0 303.362 2.094 10 30 DEEERN O=C(Nc1ccc(Cl)c(F)c1)c1ccncc1C#CCO ZINC000091458526 193058275 /nfs/dbraw/zinc/05/82/75/193058275.db2.gz CCHPPXCSIBDOBH-UHFFFAOYSA-N 0 0 304.708 2.470 10 30 DEEERN N#C[C@H](CC(=O)NC1CC1)Nc1ccc(Br)cc1 ZINC000091320364 193040518 /nfs/dbraw/zinc/04/05/18/193040518.db2.gz SNWCJFBDHKTNSM-LBPRGKRZSA-N 0 0 308.179 2.422 10 30 DEEERN CSC1(C#N)CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000091474461 193060961 /nfs/dbraw/zinc/06/09/61/193060961.db2.gz RBRGCHBIDRXXDE-UHFFFAOYSA-N 0 0 314.407 2.236 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC000624330913 365384193 /nfs/dbraw/zinc/38/41/93/365384193.db2.gz IVAFGKDFEZTARS-UHFFFAOYSA-N 0 0 316.467 2.103 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC000624467735 365431432 /nfs/dbraw/zinc/43/14/32/365431432.db2.gz FJBVOBTUDRSGHH-UHFFFAOYSA-N 0 0 322.453 2.132 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000628769555 366964027 /nfs/dbraw/zinc/96/40/27/366964027.db2.gz MJBNXVANZLPHTK-GOEBONIOSA-N 0 0 303.337 2.082 10 30 DEEERN C[C@@H](CNC(=O)c1ccc(C#N)n1C)Oc1cccc(F)c1 ZINC000449966479 241308436 /nfs/dbraw/zinc/30/84/36/241308436.db2.gz QHISNMPUSMLYDA-NSHDSACASA-N 0 0 301.321 2.233 10 30 DEEERN CCC1CCC(NC(=O)c2ccc(C#N)n2C)(C(=O)OC)CC1 ZINC000450129010 241470392 /nfs/dbraw/zinc/47/03/92/241470392.db2.gz JFVRIVYIICWXAJ-UHFFFAOYSA-N 0 0 317.389 2.139 10 30 DEEERN C=C[C@](C)(CC)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000629434844 367199017 /nfs/dbraw/zinc/19/90/17/367199017.db2.gz GUFAWPLJZMEYJQ-FUHWJXTLSA-N 0 0 317.433 2.001 10 30 DEEERN C=CCn1cc(C(=O)NCC2(C(F)(F)F)CCCC2)nn1 ZINC000629471116 367210754 /nfs/dbraw/zinc/21/07/54/367210754.db2.gz DUYUMFNWRGYCKL-UHFFFAOYSA-N 0 0 302.300 2.317 10 30 DEEERN C=CCCOCCNC(=O)c1coc(-c2ccnc(C)c2)n1 ZINC000450250978 241607250 /nfs/dbraw/zinc/60/72/50/241607250.db2.gz PTNSMMZVWJYUTJ-UHFFFAOYSA-N 0 0 301.346 2.368 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cc(OC)c(OC)cc2F)C1=O ZINC000630518227 367702261 /nfs/dbraw/zinc/70/22/61/367702261.db2.gz SNRJIPPUPXECEZ-SNVBAGLBSA-N 0 0 308.309 2.234 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2ccc(OCC)c(OC)c2)C1=O ZINC000630504314 367694712 /nfs/dbraw/zinc/69/47/12/367694712.db2.gz CKAQIXFZOLNCBE-GFCCVEGCSA-N 0 0 304.346 2.485 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cc(OC)c(OC)cc2C)C1=O ZINC000630507801 367696447 /nfs/dbraw/zinc/69/64/47/367696447.db2.gz BNEIQMJSKPZFEO-LLVKDONJSA-N 0 0 304.346 2.403 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2ccc(OCCOC)cc2C)C1=O ZINC000630509725 367697418 /nfs/dbraw/zinc/69/74/18/367697418.db2.gz BPFZLBQEQLIYQR-AWEZNQCLSA-N 0 0 318.373 2.411 10 30 DEEERN C#CCOc1ccccc1CN1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000092096728 193156617 /nfs/dbraw/zinc/15/66/17/193156617.db2.gz UCKBIRYWPBGABP-ZHALLVOQSA-N 0 0 315.413 2.467 10 30 DEEERN C=C1CC(C)(C(=O)N2CCC(c3nnc4n3CCC4)CC2)C1 ZINC000630772897 367838240 /nfs/dbraw/zinc/83/82/40/367838240.db2.gz WAXCIRSYYHYSCQ-UHFFFAOYSA-N 0 0 300.406 2.287 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCN2c3ccccc3C[C@@H]2C)C1=O ZINC000630969467 367942603 /nfs/dbraw/zinc/94/26/03/367942603.db2.gz ILMSYBZADJUMHY-DZGCQCFKSA-N 0 0 313.401 2.324 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@@H]2CCOc3ccccc32)C1=O ZINC000630972705 367943906 /nfs/dbraw/zinc/94/39/06/367943906.db2.gz NFGMBJSGZSTBPQ-GXTWGEPZSA-N 0 0 300.358 2.439 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2CCO[C@H]2c2ccccc2)C1=O ZINC000630984365 367950551 /nfs/dbraw/zinc/95/05/51/367950551.db2.gz CAAMRXXDKQZAFG-KFWWJZLASA-N 0 0 300.358 2.403 10 30 DEEERN C=C1CC(C)(C(=O)NC[C@@H](Cc2ccccc2Cl)C(N)=O)C1 ZINC000631152705 368047334 /nfs/dbraw/zinc/04/73/34/368047334.db2.gz XVYNNGZZJYCVFT-CYBMUJFWSA-N 0 0 320.820 2.457 10 30 DEEERN Cc1cc(C(=O)N2CCN(Cc3ccc(C#N)o3)CC2)c(C)o1 ZINC000092169066 193170637 /nfs/dbraw/zinc/17/06/37/193170637.db2.gz CMGJELZXBKYYKH-UHFFFAOYSA-N 0 0 313.357 2.319 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1CCC(CCO)(CCO)CC1 ZINC000631475407 368243929 /nfs/dbraw/zinc/24/39/29/368243929.db2.gz TWLDNFNGQUITIH-UHFFFAOYSA-N 0 0 316.401 2.112 10 30 DEEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCC(C)(F)F ZINC000452215063 244059452 /nfs/dbraw/zinc/05/94/52/244059452.db2.gz GMSHRPBUNRQVPF-ZDUSSCGKSA-N 0 0 304.337 2.410 10 30 DEEERN CS[C@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000452556282 244385330 /nfs/dbraw/zinc/38/53/30/244385330.db2.gz FGMPLCSSVIPEAX-NHYWBVRUSA-N 0 0 312.435 2.212 10 30 DEEERN CN[C@@]1(C#N)CCC[C@@H]1CCSc1nnc2ccccn21 ZINC000093581288 193269680 /nfs/dbraw/zinc/26/96/80/193269680.db2.gz XUGFSABAQKNMIO-IUODEOHRSA-N 0 0 301.419 2.493 10 30 DEEERN N#Cc1csc(CNc2cc(-n3cnnn3)ccc2F)c1 ZINC000093687280 193289411 /nfs/dbraw/zinc/28/94/11/193289411.db2.gz RFMGGUSIURHJPS-UHFFFAOYSA-N 0 0 300.322 2.347 10 30 DEEERN CN[C@@]1(C#N)CCC[C@H](Sc2nnnn2C2CCCC2)C1 ZINC000093746911 193300788 /nfs/dbraw/zinc/30/07/88/193300788.db2.gz OJOGANPUTPTSFY-JSGCOSHPSA-N 0 0 306.439 2.305 10 30 DEEERN CC(C)N[C@]1(C#N)CC[C@@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093807043 193310856 /nfs/dbraw/zinc/31/08/56/193310856.db2.gz QCXHHJZMWLNNKX-BXUZGUMPSA-N 0 0 309.439 2.057 10 30 DEEERN Cc1nnc(SCc2cc(F)cc(C#CCCO)c2)n1C ZINC000093982793 193334094 /nfs/dbraw/zinc/33/40/94/193334094.db2.gz QFLYRWSQGFTZHH-UHFFFAOYSA-N 0 0 305.378 2.289 10 30 DEEERN Cc1cccc(CNC(=O)c2csc(C#CCCO)c2)n1 ZINC000093974920 193333067 /nfs/dbraw/zinc/33/30/67/193333067.db2.gz VZWXKAZZKKJKJP-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN Cc1ncsc1CNC(=O)c1csc(C#CCCO)c1 ZINC000093975101 193333425 /nfs/dbraw/zinc/33/34/25/193333425.db2.gz JANBHSGOIFUHCF-UHFFFAOYSA-N 0 0 306.412 2.177 10 30 DEEERN Cc1c(F)cc(N)cc1S(=O)(=O)Nc1cccc(C#N)c1 ZINC000094359181 193364788 /nfs/dbraw/zinc/36/47/88/193364788.db2.gz FPIDZFIELFPMFS-UHFFFAOYSA-N 0 0 305.334 2.389 10 30 DEEERN O=C(Nc1ncc(C#CCO)s1)c1ccc(F)c(F)c1F ZINC000094185222 193348110 /nfs/dbraw/zinc/34/81/10/193348110.db2.gz ZHTOJXVCWBHZQF-UHFFFAOYSA-N 0 0 312.272 2.157 10 30 DEEERN Cc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)sc1C#CCCO ZINC000094533375 193377258 /nfs/dbraw/zinc/37/72/58/193377258.db2.gz NSOOOAYLKWGOFT-STQMWFEESA-N 0 0 307.415 2.040 10 30 DEEERN Cc1cc(C(=O)Nc2ccnn2C(C)C)sc1C#CCO ZINC000094533471 193377289 /nfs/dbraw/zinc/37/72/89/193377289.db2.gz LFMQKLYTDURWFR-UHFFFAOYSA-N 0 0 303.387 2.430 10 30 DEEERN Cc1cc(C(=O)NCC#Cc2ccc(C(=O)N(C)C)cc2)c(C)o1 ZINC000096348411 193614906 /nfs/dbraw/zinc/61/49/06/193614906.db2.gz KFGTUVBPSSCQRU-UHFFFAOYSA-N 0 0 324.380 2.380 10 30 DEEERN CN(C)C(=O)c1ccc(C#CCNC(=O)c2ccccc2)cc1 ZINC000096348276 193614924 /nfs/dbraw/zinc/61/49/24/193614924.db2.gz YNFKBLNZJGQOJX-UHFFFAOYSA-N 0 0 306.365 2.170 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H](O)C1CCC1 ZINC000454071252 245423411 /nfs/dbraw/zinc/42/34/11/245423411.db2.gz VPQMHNMOSYNQLX-MRXNPFEDSA-N 0 0 316.401 2.021 10 30 DEEERN CC#CCNC(=O)c1sc2nnc(CC)c(CC)c2c1N ZINC000161313991 197484535 /nfs/dbraw/zinc/48/45/35/197484535.db2.gz DSCYABJIOKDPPD-UHFFFAOYSA-N 0 0 302.403 2.151 10 30 DEEERN N#Cc1ccc(CNc2cc(-n3cnnn3)ccc2F)s1 ZINC000161118421 197466684 /nfs/dbraw/zinc/46/66/84/197466684.db2.gz SMEVAYKSBDULDZ-UHFFFAOYSA-N 0 0 300.322 2.347 10 30 DEEERN C=CCOc1ccccc1CNC(=O)NC[C@H]1CCC[C@@H]1O ZINC000266773841 205588774 /nfs/dbraw/zinc/58/87/74/205588774.db2.gz GAAYFHZEJYDQBG-HIFRSBDPSA-N 0 0 304.390 2.212 10 30 DEEERN CN(CCC#N)CCC(=O)Nc1nc2ccc(N)cc2s1 ZINC000019994985 182175595 /nfs/dbraw/zinc/17/55/95/182175595.db2.gz BABYFJBISLAQIM-UHFFFAOYSA-N 0 0 303.391 2.053 10 30 DEEERN C[C@@H]1CN(c2cc(Cl)ccc2C#N)C[C@H]1N1CCOCC1 ZINC000267508905 206114321 /nfs/dbraw/zinc/11/43/21/206114321.db2.gz BBAIOCZPPKTMIV-MLGOLLRUSA-N 0 0 305.809 2.369 10 30 DEEERN C=C(C)CCNC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000454893829 246231215 /nfs/dbraw/zinc/23/12/15/246231215.db2.gz GDAQIUYJWURLOT-CABCVRRESA-N 0 0 307.438 2.433 10 30 DEEERN C=CCOc1ccc(CNC(=O)N[C@H]2COCC2(C)C)cc1 ZINC000455058481 246357769 /nfs/dbraw/zinc/35/77/69/246357769.db2.gz YGPUOQHIQXCPBG-HNNXBMFYSA-N 0 0 304.390 2.476 10 30 DEEERN N#Cc1ccc(NC(=O)N2CCO[C@]3(CCOC3)C2)c(Cl)c1 ZINC000274458291 211632403 /nfs/dbraw/zinc/63/24/03/211632403.db2.gz WNZWOOFQERVVGX-OAHLLOKOSA-N 0 0 321.764 2.235 10 30 DEEERN C[C@@H](NC(=O)c1ccc(C#N)o1)C(=O)N1c2ccccc2C[C@H]1C ZINC000456657795 247342968 /nfs/dbraw/zinc/34/29/68/247342968.db2.gz RHGMXTYZORYSNY-VXGBXAGGSA-N 0 0 323.352 2.247 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1c(C)nc2c(c(=O)[nH]n2C)c1C ZINC000274375363 211558081 /nfs/dbraw/zinc/55/80/81/211558081.db2.gz SUWTXLTXUKXEGJ-SNVBAGLBSA-N 0 0 316.405 2.097 10 30 DEEERN C=CCC[C@H](CO)NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000456774829 247415354 /nfs/dbraw/zinc/41/53/54/247415354.db2.gz JZKPDQIETOCPEK-KFWWJZLASA-N 0 0 317.385 2.005 10 30 DEEERN C=CCOC[C@H](NC(=O)Cc1cccc(C(C)C)c1)C(=O)OC ZINC000457780691 248009880 /nfs/dbraw/zinc/00/98/80/248009880.db2.gz JPCXDAANXQXHBP-INIZCTEOSA-N 0 0 319.401 2.213 10 30 DEEERN C=CCC[C@@H](C(=O)N1CCC[C@@](O)(CO)C1)c1ccccc1 ZINC000457958935 248091947 /nfs/dbraw/zinc/09/19/47/248091947.db2.gz NGJOEJKEEFHCPK-AEFFLSMTSA-N 0 0 303.402 2.082 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1cccc(S(=O)(=O)NCC)c1 ZINC000457897277 248061862 /nfs/dbraw/zinc/06/18/62/248061862.db2.gz SSGRONHQZHLIEK-ZDUSSCGKSA-N 0 0 324.446 2.203 10 30 DEEERN C=C(C)CCNC(=O)N(C)C1CCN(c2cnccn2)CC1 ZINC000459013610 248566146 /nfs/dbraw/zinc/56/61/46/248566146.db2.gz ZBSDQKGVBVQZGF-UHFFFAOYSA-N 0 0 303.410 2.053 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC000487745160 248770026 /nfs/dbraw/zinc/77/00/26/248770026.db2.gz XASNQMMTPOWZRK-GXSJLCMTSA-N 0 0 305.300 2.121 10 30 DEEERN C#CCn1c(CN(C)C(=O)c2cccnc2)nc2ccccc21 ZINC000040181081 183045014 /nfs/dbraw/zinc/04/50/14/183045014.db2.gz FICFFGHWIMEBDR-UHFFFAOYSA-N 0 0 304.353 2.337 10 30 DEEERN N#C[C@@H](c1ccccc1Cl)N1CCN(C(=O)C2CC2)CC1 ZINC000041259530 183181996 /nfs/dbraw/zinc/18/19/96/183181996.db2.gz WRZSBMKNKSNVSE-HNNXBMFYSA-N 0 0 303.793 2.459 10 30 DEEERN C[C@@H](CN(C)C(=O)c1ccc(Cl)c(Cl)c1)/C(N)=N/O ZINC000042458759 183272622 /nfs/dbraw/zinc/27/26/22/183272622.db2.gz ZGODFBUQWUHXKY-ZETCQYMHSA-N 0 0 304.177 2.448 10 30 DEEERN Cc1cccc(C(=O)N(C)Cc2csc(C#CCO)c2)n1 ZINC000042363699 183259263 /nfs/dbraw/zinc/25/92/63/183259263.db2.gz SEKSDFKPWQDXJA-UHFFFAOYSA-N 0 0 300.383 2.068 10 30 DEEERN C[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(N)cc1C#N ZINC000042858798 183314937 /nfs/dbraw/zinc/31/49/37/183314937.db2.gz KSOBECUGFOQOGN-NEPJUHHUSA-N 0 0 307.419 2.245 10 30 DEEERN C[C@H](C#N)Oc1c(N)cc(C#N)cc1I ZINC000043513264 183369182 /nfs/dbraw/zinc/36/91/82/183369182.db2.gz CCWRBTZFHBXJLU-ZCFIWIBFSA-N 0 0 313.098 2.036 10 30 DEEERN Cc1nc(NC(=O)c2ccc(C#CCO)c(F)c2)sc1C ZINC000043582291 183373540 /nfs/dbraw/zinc/37/35/40/183373540.db2.gz RCFSOEZYKYRKSR-UHFFFAOYSA-N 0 0 304.346 2.495 10 30 DEEERN Cc1ccc(N2CCCN(C(=O)c3ccc(C#N)cc3)CC2)nn1 ZINC000105812019 194134987 /nfs/dbraw/zinc/13/49/87/194134987.db2.gz UUXVWMVJSVUAAZ-UHFFFAOYSA-N 0 0 321.384 2.009 10 30 DEEERN Cc1cnn([C@@H]2CCCN(CC(=O)Nc3ccc(C#N)cc3)C2)c1 ZINC000105900154 194164308 /nfs/dbraw/zinc/16/43/08/194164308.db2.gz JGHVQYJJWLHKKM-QGZVFWFLSA-N 0 0 323.400 2.339 10 30 DEEERN CC(C)(C)c1ccc(OCC(=O)N2CCO[C@@H](C#N)C2)cc1 ZINC000106054623 194183319 /nfs/dbraw/zinc/18/33/19/194183319.db2.gz QFNWPFXGARYROQ-HNNXBMFYSA-N 0 0 302.374 2.114 10 30 DEEERN CC[C@H](C)[C@H](C)NS(=O)(=O)c1ccc(C)cc1C#CCO ZINC000049106107 183713500 /nfs/dbraw/zinc/71/35/00/183713500.db2.gz ZCGOIVACCPLTBC-KBPBESRZSA-N 0 0 309.431 2.052 10 30 DEEERN N#Cc1cc(C(F)(F)F)ccc1NC[C@H]1CCS(=O)(=O)C1 ZINC000050602901 183790607 /nfs/dbraw/zinc/79/06/07/183790607.db2.gz JPKBHDVDOFYXCL-SECBINFHSA-N 0 0 318.320 2.424 10 30 DEEERN N#CCOc1ccc(CC(=O)N[C@H]2COc3ccccc32)cc1 ZINC000110258576 194318302 /nfs/dbraw/zinc/31/83/02/194318302.db2.gz DQFTWIJYSWELGF-INIZCTEOSA-N 0 0 308.337 2.381 10 30 DEEERN COCCN(CCC#N)c1cc(OC(F)F)c(F)cc1N ZINC000110641555 194344983 /nfs/dbraw/zinc/34/49/83/194344983.db2.gz LEEYWLXVGPMYCJ-UHFFFAOYSA-N 0 0 303.284 2.376 10 30 DEEERN CN(Cc1cc(C#CCCO)cs1)S(=O)(=O)C(C)(C)C ZINC000111073231 194389480 /nfs/dbraw/zinc/38/94/80/194389480.db2.gz AQXDXCWVEGNYBB-UHFFFAOYSA-N 0 0 315.460 2.042 10 30 DEEERN COc1ccc(CCNC(=O)Nc2ncc(C#N)s2)cc1 ZINC000056939703 184022271 /nfs/dbraw/zinc/02/22/71/184022271.db2.gz IUDDFRLHZJUMFY-UHFFFAOYSA-N 0 0 302.359 2.388 10 30 DEEERN O=C(Cc1cccnc1)Nc1cc(C#CCO)ccc1Cl ZINC000061691625 184182824 /nfs/dbraw/zinc/18/28/24/184182824.db2.gz CIHCXEZZOOVOPE-UHFFFAOYSA-N 0 0 300.745 2.260 10 30 DEEERN CC1CCC(CNS(=O)(=O)c2ccc(N)cc2C#N)CC1 ZINC000063144727 184273643 /nfs/dbraw/zinc/27/36/43/184273643.db2.gz MREZKFMSPVVNAA-UHFFFAOYSA-N 0 0 307.419 2.245 10 30 DEEERN N#Cc1cccc(CC(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000536239889 284937681 /nfs/dbraw/zinc/93/76/81/284937681.db2.gz OBEJRWPMXYQLGL-TZMCWYRMSA-N 0 0 312.291 2.015 10 30 DEEERN N#Cc1cccc(NC(=O)N2CCC[C@H](c3ccnc(N)n3)C2)c1 ZINC000192945563 207370531 /nfs/dbraw/zinc/37/05/31/207370531.db2.gz LNHUYVAOPTZDDR-ZDUSSCGKSA-N 0 0 322.372 2.342 10 30 DEEERN C=C(C)[C@H](CC(=O)NC[C@@H](O)c1ccccc1OC)OCC ZINC000270174541 208239243 /nfs/dbraw/zinc/23/92/43/208239243.db2.gz DGDHWVXJCRTMJW-ZBFHGGJFSA-N 0 0 307.390 2.216 10 30 DEEERN CC1(C)CN(C(=O)c2ccc(C#CCO)cc2F)CCS1 ZINC000159025866 197319820 /nfs/dbraw/zinc/31/98/20/197319820.db2.gz NOKIAKMAYJIWQS-UHFFFAOYSA-N 0 0 307.390 2.137 10 30 DEEERN CC(C)c1ccc(CCNC(=O)[C@@H](C)n2cnc(C#N)n2)cc1 ZINC000540603909 285121559 /nfs/dbraw/zinc/12/15/59/285121559.db2.gz BBVJKSICVGMUFN-CYBMUJFWSA-N 0 0 311.389 2.193 10 30 DEEERN C#CC[C@H](CC)Nc1cnn(CC=C)c(=O)c1Br ZINC000158629149 197289716 /nfs/dbraw/zinc/28/97/16/197289716.db2.gz PDCBFAPJEZBAJR-JTQLQIEISA-N 0 0 310.195 2.406 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cccc(CC#N)c1 ZINC000249271522 533083249 /nfs/dbraw/zinc/08/32/49/533083249.db2.gz JFQCEOJSQYGTMI-XHSDSOJGSA-N 0 0 312.369 2.166 10 30 DEEERN CC[C@@H]1CN(C(=O)c2cc(C#CCO)ccc2F)CCS1 ZINC000157972066 197231708 /nfs/dbraw/zinc/23/17/08/197231708.db2.gz IMBGCBGGZKHVPA-CYBMUJFWSA-N 0 0 307.390 2.137 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(F)c(OC)cc1F ZINC000157620023 197202758 /nfs/dbraw/zinc/20/27/58/197202758.db2.gz ZLTPMQSVGNOVSY-UHFFFAOYSA-N 0 0 312.316 2.337 10 30 DEEERN C[C@@H]1CC(=O)CC[C@H]1C(=O)NCCOc1ccc(C#N)cc1 ZINC000120311116 195141378 /nfs/dbraw/zinc/14/13/78/195141378.db2.gz UJXDUBMWHJTPIB-MLGOLLRUSA-N 0 0 300.358 2.059 10 30 DEEERN C#CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000157353967 197181021 /nfs/dbraw/zinc/18/10/21/197181021.db2.gz RQUQOMMTBMADEQ-SECBINFHSA-N 0 0 316.766 2.247 10 30 DEEERN CSC[C@@H]1CCCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156866710 197146518 /nfs/dbraw/zinc/14/65/18/197146518.db2.gz CBIBVDMPXVWIFU-AWEZNQCLSA-N 0 0 324.471 2.159 10 30 DEEERN O=C(NCc1sccc1C#CCCO)[C@H]1CCCCS1 ZINC000156276603 197101396 /nfs/dbraw/zinc/10/13/96/197101396.db2.gz CRVPWGLRGIYXDN-CYBMUJFWSA-N 0 0 309.456 2.384 10 30 DEEERN C[C@H](NC(=O)[C@H]1CCCCS1)c1cccc(C#CCO)c1 ZINC000156272053 197100530 /nfs/dbraw/zinc/10/05/30/197100530.db2.gz VFGAMGMKPLUOJI-XJKSGUPXSA-N 0 0 303.427 2.493 10 30 DEEERN C[C@@H](NC(=O)[C@H]1CCCCS1)c1ccc(C#CCO)cc1 ZINC000156270887 197100544 /nfs/dbraw/zinc/10/05/44/197100544.db2.gz BEAJIMHUZYHOAO-CZUORRHYSA-N 0 0 303.427 2.493 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N2CCc3ccsc3C2)s1 ZINC000559578545 291915937 /nfs/dbraw/zinc/91/59/37/291915937.db2.gz LKIGKMMTDONQJW-UHFFFAOYSA-N 0 0 310.425 2.428 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccncc2Br)c1 ZINC000543854856 285321840 /nfs/dbraw/zinc/32/18/40/285321840.db2.gz XAXQHGOLEKAIRI-UHFFFAOYSA-N 0 0 316.158 2.319 10 30 DEEERN C=CCO[C@@H]1CN(C(=O)c2ccccc2F)[C@H]2CCCO[C@@H]12 ZINC000253374095 257106232 /nfs/dbraw/zinc/10/62/32/257106232.db2.gz LDSVZVWVYCJNRC-ARFHVFGLSA-N 0 0 305.349 2.400 10 30 DEEERN C=CCn1c(CCNC(=O)c2cccc(C)c2)n[nH]c1=S ZINC000038536895 257262769 /nfs/dbraw/zinc/26/27/69/257262769.db2.gz UETOOVAJSVGCRP-UHFFFAOYSA-N 0 0 302.403 2.408 10 30 DEEERN C[C@H](C(=O)N1CCCC1)n1c2cccc(C#N)c2[nH]c1=S ZINC000126122796 195811965 /nfs/dbraw/zinc/81/19/65/195811965.db2.gz GFMJCWDDMSUHOG-SNVBAGLBSA-N 0 0 300.387 2.380 10 30 DEEERN C#CC[C@H](C)NC(=O)c1csc(I)c1 ZINC000127718072 195903802 /nfs/dbraw/zinc/90/38/02/195903802.db2.gz UYNUHYDQKNLPRZ-ZETCQYMHSA-N 0 0 319.167 2.494 10 30 DEEERN COc1ncnc2c1CN(c1cc(C(C)=O)ccc1C#N)CC2 ZINC000302046530 533293591 /nfs/dbraw/zinc/29/35/91/533293591.db2.gz VBDNYJZQRSNQLB-UHFFFAOYSA-N 0 0 308.341 2.122 10 30 DEEERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc(C#N)c(O)c1 ZINC000188608135 533355653 /nfs/dbraw/zinc/35/56/53/533355653.db2.gz NBZLBYBKTMACLX-JTQLQIEISA-N 0 0 304.346 2.066 10 30 DEEERN N#Cc1cccc(Cc2nc(-c3ccc(C(N)=O)cc3)no2)c1 ZINC000546331112 285488751 /nfs/dbraw/zinc/48/87/51/285488751.db2.gz VPYKTKPOKXIWSV-UHFFFAOYSA-N 0 0 304.309 2.298 10 30 DEEERN Cn1nccc1C#Cc1c[nH]c2cncc(Br)c12 ZINC000725245425 542769947 /nfs/dbraw/zinc/76/99/47/542769947.db2.gz GJRGQHQDTFXYLL-UHFFFAOYSA-N 0 0 301.147 2.459 10 30 DEEERN Cc1cc(C#N)nc(NC2CCC(O)(c3cccnc3)CC2)n1 ZINC000376482043 133296441 /nfs/dbraw/zinc/29/64/41/133296441.db2.gz ZSTLPRZECRPDJX-UHFFFAOYSA-N 0 0 309.373 2.294 10 30 DEEERN N#Cc1ncccc1NCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000377998131 133353361 /nfs/dbraw/zinc/35/33/61/133353361.db2.gz ZSKFKRAKMHAASB-CYBMUJFWSA-N 0 0 308.341 2.005 10 30 DEEERN COC1=CC(=CNc2ccc(N3CCOCC3)cc2)C=CC1=O ZINC000018024593 134530761 /nfs/dbraw/zinc/53/07/61/134530761.db2.gz UBMKIYTUGGQMMS-BUHFOSPRSA-N 0 0 312.369 2.488 10 30 DEEERN C[C@H]1CC(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@H](C)C1 ZINC000364617498 404472654 /nfs/dbraw/zinc/47/26/54/404472654.db2.gz ZKCHGSDSJRJMHK-XJKCOSOUSA-N 0 0 304.438 2.193 10 30 DEEERN N#Cc1ccc(C(=O)NCc2ccncc2C(F)(F)F)nc1 ZINC000548722642 285784976 /nfs/dbraw/zinc/78/49/76/285784976.db2.gz JVCBFEKMAKFNEJ-UHFFFAOYSA-N 0 0 306.247 2.297 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000120441044 144672747 /nfs/dbraw/zinc/67/27/47/144672747.db2.gz NCOPIQXDKBMYOL-YOEHRIQHSA-N 0 0 324.380 2.045 10 30 DEEERN N#Cc1ccc(OCCNC(=O)CCC2CCOCC2)cc1 ZINC000173824694 144850866 /nfs/dbraw/zinc/85/08/66/144850866.db2.gz CLFLSQPDTGIABB-UHFFFAOYSA-N 0 0 302.374 2.260 10 30 DEEERN C[C@H](CC(=O)Nc1ccc(F)c(C#N)c1)N1CCCCC1=O ZINC000189338200 145026171 /nfs/dbraw/zinc/02/61/71/145026171.db2.gz MVUQNNVJXVICFR-LLVKDONJSA-N 0 0 303.337 2.427 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000247279192 145131593 /nfs/dbraw/zinc/13/15/93/145131593.db2.gz SQBXEIHGKXMMMW-ZCDTZLGTSA-N 0 0 314.385 2.255 10 30 DEEERN N#Cc1cc(Br)cnc1NC1CCC(C(N)=O)CC1 ZINC000311978472 145353834 /nfs/dbraw/zinc/35/38/34/145353834.db2.gz OECKBICUJAWELO-UHFFFAOYSA-N 0 0 323.194 2.172 10 30 DEEERN C#Cc1cccc(NC(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)c1 ZINC000112122961 401731356 /nfs/dbraw/zinc/73/13/56/401731356.db2.gz QQYVNBYQXJJJCS-KRWDZBQOSA-N 0 0 324.384 2.106 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)CC(=O)OC ZINC000127437334 401735026 /nfs/dbraw/zinc/73/50/26/401735026.db2.gz OOHGNDAYRZCDNW-LBPRGKRZSA-N 0 0 320.345 2.309 10 30 DEEERN S=C(N/N=C/c1cccnc1)N[C@H]1C[C@H]2C[C@@H]1[C@@H]1C=CC[C@@H]21 ZINC000013464464 401799856 /nfs/dbraw/zinc/79/98/56/401799856.db2.gz JJXPUKQXKASOFA-AMHRISAASA-N 0 0 312.442 2.480 10 30 DEEERN C=CCCCN(C)C(=O)NCCNC(=O)c1ccc(C)cc1 ZINC000076974221 401801817 /nfs/dbraw/zinc/80/18/17/401801817.db2.gz XFDJVXNUCGSALH-UHFFFAOYSA-N 0 0 303.406 2.332 10 30 DEEERN C=CCCOCCNC(=O)c1ccc2c(c1O)OC(C)(C)C2 ZINC000129615585 401806496 /nfs/dbraw/zinc/80/64/96/401806496.db2.gz FFZMELKDKGQAMC-UHFFFAOYSA-N 0 0 305.374 2.428 10 30 DEEERN C=CCC[C@H](O)CN(CC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000128408347 401775333 /nfs/dbraw/zinc/77/53/33/401775333.db2.gz WDUBHEPSUDUXTC-ZDUSSCGKSA-N 0 0 313.344 2.267 10 30 DEEERN C=CCCCN(C)C(=O)Cc1csc(N2CCCC2=O)n1 ZINC000076489470 401796708 /nfs/dbraw/zinc/79/67/08/401796708.db2.gz RDQDLNYRVXDYDE-UHFFFAOYSA-N 0 0 307.419 2.237 10 30 DEEERN C=CCCCN(C)C(=O)c1sccc1S(=O)(=O)N(C)C ZINC000076486322 401796735 /nfs/dbraw/zinc/79/67/35/401796735.db2.gz VZVOJICPFNZWAV-UHFFFAOYSA-N 0 0 316.448 2.037 10 30 DEEERN C=CCNC(=O)NC(=O)[C@H](C)N1CC=C(c2ccccc2)CC1 ZINC000030630900 401865011 /nfs/dbraw/zinc/86/50/11/401865011.db2.gz BHJOXYXAVOALDS-AWEZNQCLSA-N 0 0 313.401 2.176 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCN(CCOC)[C@H](C)C2)cc1 ZINC000117289380 401873034 /nfs/dbraw/zinc/87/30/34/401873034.db2.gz YVGXIYXVRKKASE-OAHLLOKOSA-N 0 0 318.417 2.044 10 30 DEEERN C#CCCCCNC(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000132531931 401868386 /nfs/dbraw/zinc/86/83/86/401868386.db2.gz PTPITZLRIWTPEP-INIZCTEOSA-N 0 0 313.401 2.285 10 30 DEEERN C=CCCCN(C)C(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000135097924 401926941 /nfs/dbraw/zinc/92/69/41/401926941.db2.gz GVHYZEAGLCXPGM-CYBMUJFWSA-N 0 0 302.374 2.225 10 30 DEEERN C[NH+](C)C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000135201567 401930221 /nfs/dbraw/zinc/93/02/21/401930221.db2.gz CLEDVQZVKVQLCM-MRXNPFEDSA-N 0 0 301.434 2.250 10 30 DEEERN CC(C)(C)c1noc(CCC(=O)Nc2ccn(CCC#N)n2)n1 ZINC000117717533 401882240 /nfs/dbraw/zinc/88/22/40/401882240.db2.gz JZNZQDFCTURCDE-UHFFFAOYSA-N 0 0 316.365 2.049 10 30 DEEERN CC(C)(C)C(=O)CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000133419879 401885829 /nfs/dbraw/zinc/88/58/29/401885829.db2.gz TXMNPGJJVBTTBN-UHFFFAOYSA-N 0 0 314.794 2.105 10 30 DEEERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1ccc(C#N)cc1)CC2 ZINC000133525934 401889507 /nfs/dbraw/zinc/88/95/07/401889507.db2.gz NYSCTCJSUBXIAY-CQSZACIVSA-N 0 0 309.373 2.018 10 30 DEEERN CCOc1ccc(S(=O)(=O)N/N=C(/C)c2cccnc2)cc1 ZINC000033643972 401891920 /nfs/dbraw/zinc/89/19/20/401891920.db2.gz ZNACFFGQSBRTKE-ATVHPVEESA-N 0 0 319.386 2.183 10 30 DEEERN C=CCN(CC(=O)Nc1ccon1)C(=O)Cc1ccc(F)cc1 ZINC000035758539 401900958 /nfs/dbraw/zinc/90/09/58/401900958.db2.gz HRAMFEZMCGFJTQ-UHFFFAOYSA-N 0 0 317.320 2.010 10 30 DEEERN N#Cc1cccnc1N1CCN(Cc2cc3cccnc3[nH]2)CC1 ZINC000038482475 401922824 /nfs/dbraw/zinc/92/28/24/401922824.db2.gz WSAZWJXCMAMDDG-UHFFFAOYSA-N 0 0 318.384 2.152 10 30 DEEERN C=C(C)COCCNC(=O)N[C@@H](CC)c1c(C)nn(C)c1C ZINC000135018762 401923593 /nfs/dbraw/zinc/92/35/93/401923593.db2.gz RPYNCCVSKLZGAP-AWEZNQCLSA-N 0 0 308.426 2.380 10 30 DEEERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1sccc1C#N)CC2 ZINC000136810706 401974354 /nfs/dbraw/zinc/97/43/54/401974354.db2.gz OPAAVVXTICQDDA-LLVKDONJSA-N 0 0 315.402 2.079 10 30 DEEERN Cc1cccn2c1ncc(C(=O)N[C@]1(C#N)CCC[C@H](C)C1)c2=O ZINC000091056681 401991680 /nfs/dbraw/zinc/99/16/80/401991680.db2.gz GRXIYYCPNRCWBP-KPZWWZAWSA-N 0 0 324.384 2.205 10 30 DEEERN N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2COCCO2)cc1 ZINC000091101589 401994074 /nfs/dbraw/zinc/99/40/74/401994074.db2.gz XVBUSRMUMGSFIR-SFHVURJKSA-N 0 0 322.364 2.257 10 30 DEEERN C=CCN(CCc1ccccc1)S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000135549971 401944343 /nfs/dbraw/zinc/94/43/43/401944343.db2.gz RJTSGXRPPFIPKC-GOEBONIOSA-N 0 0 309.431 2.224 10 30 DEEERN C=CCOc1ccccc1CN1CCC[C@H]1C(=O)NC1CC1 ZINC000121470832 402038234 /nfs/dbraw/zinc/03/82/34/402038234.db2.gz YRYIHUKWSXMBMR-INIZCTEOSA-N 0 0 300.402 2.494 10 30 DEEERN N#Cc1ccsc1C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000052050543 402039171 /nfs/dbraw/zinc/03/91/71/402039171.db2.gz HCPPUWPXTHUPAA-UHFFFAOYSA-N 0 0 309.354 2.130 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1COc2ccccc2C1 ZINC000053045948 402050532 /nfs/dbraw/zinc/05/05/32/402050532.db2.gz SNIGEINMERBLMK-CZUORRHYSA-N 0 0 322.364 2.445 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000150866384 402001164 /nfs/dbraw/zinc/00/11/64/402001164.db2.gz SRYIOJGHCLRNNB-HNNXBMFYSA-N 0 0 302.422 2.274 10 30 DEEERN COCCN(Cc1ccco1)Cc1cnc2ccc(C#N)cn12 ZINC000092561944 402005732 /nfs/dbraw/zinc/00/57/32/402005732.db2.gz YZABBLJNSWNGMA-UHFFFAOYSA-N 0 0 310.357 2.448 10 30 DEEERN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C(C)C ZINC000054841530 402072234 /nfs/dbraw/zinc/07/22/34/402072234.db2.gz JYLCMRQKWPGGRK-GFCCVEGCSA-N 0 0 317.389 2.445 10 30 DEEERN C=CCCOCCNC(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000122423246 402077815 /nfs/dbraw/zinc/07/78/15/402077815.db2.gz LACYDCOZMGDDKW-UHFFFAOYSA-N 0 0 322.796 2.380 10 30 DEEERN Cc1cnn(C[C@@H]2CN(Cc3ccc(C#N)s3)CCO2)c1 ZINC000122473085 402079756 /nfs/dbraw/zinc/07/97/56/402079756.db2.gz RLUMHQIXUYOAOM-ZDUSSCGKSA-N 0 0 302.403 2.026 10 30 DEEERN C=CCN(C)C(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C ZINC000152891758 402114899 /nfs/dbraw/zinc/11/48/99/402114899.db2.gz WAVXPHYNCGKCIW-OAHLLOKOSA-N 0 0 304.390 2.094 10 30 DEEERN CC[C@@H](C#N)NC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000123679947 402141235 /nfs/dbraw/zinc/14/12/35/402141235.db2.gz KJQYRRQXNLLSEU-ZFWWWQNUSA-N 0 0 301.390 2.168 10 30 DEEERN C=CCN(CC(=O)NCC1CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000066496935 402134831 /nfs/dbraw/zinc/13/48/31/402134831.db2.gz NUPIVDGMVNPEKR-UHFFFAOYSA-N 0 0 317.389 2.499 10 30 DEEERN C=CCOc1cccc(NC(=O)N2CCC[C@H](NC(C)=O)C2)c1 ZINC000098029862 402134975 /nfs/dbraw/zinc/13/49/75/402134975.db2.gz FRJIMZMNBPTMDF-HNNXBMFYSA-N 0 0 317.389 2.384 10 30 DEEERN C=CCOc1ccccc1CNC(=O)NCC[C@H](C)[S@](C)=O ZINC000123731381 402143525 /nfs/dbraw/zinc/14/35/25/402143525.db2.gz JMPZJNPPQOLGKW-WHEQGISXSA-N 0 0 324.446 2.208 10 30 DEEERN C#CCOCCC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000153555136 402152181 /nfs/dbraw/zinc/15/21/81/402152181.db2.gz YXUYKBPUFXKDIR-UHFFFAOYSA-N 0 0 304.365 2.269 10 30 DEEERN CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000102719017 402171465 /nfs/dbraw/zinc/17/14/65/402171465.db2.gz UCVQOVZGKLQXQW-LBPRGKRZSA-N 0 0 323.805 2.462 10 30 DEEERN C=CCN(C)C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000155692728 402264869 /nfs/dbraw/zinc/26/48/69/402264869.db2.gz KXFCBDRSYSKVND-UKRRQHHQSA-N 0 0 321.808 2.439 10 30 DEEERN CC(=O)N[C@H](CC(=O)N[C@H](C#N)C1CC1)c1ccc(Cl)cc1 ZINC000108833608 402262527 /nfs/dbraw/zinc/26/25/27/402262527.db2.gz SMNJTXXSDPAQLU-HUUCEWRRSA-N 0 0 319.792 2.326 10 30 DEEERN COc1ccc(CN2CCN(c3nccs3)CC2)cc1C#N ZINC000125012803 402208443 /nfs/dbraw/zinc/20/84/43/402208443.db2.gz ZPOOWHAPUZDZCG-UHFFFAOYSA-N 0 0 314.414 2.346 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000184563782 402276718 /nfs/dbraw/zinc/27/67/18/402276718.db2.gz QICGLSOSMNSRTB-CQSZACIVSA-N 0 0 316.401 2.279 10 30 DEEERN C=C(C)CNC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000156335032 402280310 /nfs/dbraw/zinc/28/03/10/402280310.db2.gz ZLFCEPYJCWTSGN-AWEZNQCLSA-N 0 0 303.406 2.397 10 30 DEEERN COCCc1cc(NC(=O)CCc2ccc(C#N)cc2)n(C)n1 ZINC000156827769 402289227 /nfs/dbraw/zinc/28/92/27/402289227.db2.gz HIXHAIAKEDPTFL-UHFFFAOYSA-N 0 0 312.373 2.052 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000160450050 402345748 /nfs/dbraw/zinc/34/57/48/402345748.db2.gz SDTGCWJVVWSBTB-OLZOCXBDSA-N 0 0 302.378 2.205 10 30 DEEERN CC1(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CCOCC1 ZINC000160989776 402368279 /nfs/dbraw/zinc/36/82/79/402368279.db2.gz HRUMMDGJOPKPDD-UHFFFAOYSA-N 0 0 314.794 2.059 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1csc(Cc2ccccc2)n1 ZINC000185790011 402377028 /nfs/dbraw/zinc/37/70/28/402377028.db2.gz SYSRAFRHZXCYSS-AWEZNQCLSA-N 0 0 316.426 2.330 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000185808194 402378860 /nfs/dbraw/zinc/37/88/60/402378860.db2.gz WGQFCMQKSJENJD-NEPJUHHUSA-N 0 0 304.173 2.080 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000185814782 402379498 /nfs/dbraw/zinc/37/94/98/402379498.db2.gz SUYXBFLPUGAAKI-KOLCDFICSA-N 0 0 301.745 2.300 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000185828097 402380564 /nfs/dbraw/zinc/38/05/64/402380564.db2.gz BLEWXSDMFNECKG-VIFPVBQESA-N 0 0 310.300 2.436 10 30 DEEERN C#CCCCCNC(=O)N[C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000185851130 402382725 /nfs/dbraw/zinc/38/27/25/402382725.db2.gz NIIOSBZRTGYLQC-LSDHHAIUSA-N 0 0 308.422 2.063 10 30 DEEERN CN([C@]1(C#N)CCOC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000185132185 402326758 /nfs/dbraw/zinc/32/67/58/402326758.db2.gz SSYGLOQGYIVKAM-INIZCTEOSA-N 0 0 322.430 2.287 10 30 DEEERN Cc1cc(C)n(-c2ccc(NC(=O)c3cc(C#N)cn3C)cn2)n1 ZINC000176691097 402329095 /nfs/dbraw/zinc/32/90/95/402329095.db2.gz FMUOCGGOHOBIFO-UHFFFAOYSA-N 0 0 320.356 2.347 10 30 DEEERN Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C#N)[nH]n1 ZINC000161654150 402394716 /nfs/dbraw/zinc/39/47/16/402394716.db2.gz YTZSIFDZVKDWQT-DGCLKSJQSA-N 0 0 312.373 2.105 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCc1ccc(-n2cncn2)cc1 ZINC000161811467 402400331 /nfs/dbraw/zinc/40/03/31/402400331.db2.gz OVIAJJJXMBFOIH-UHFFFAOYSA-N 0 0 317.352 2.377 10 30 DEEERN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@@H](C#N)C3CC3)c12 ZINC000161817777 402400472 /nfs/dbraw/zinc/40/04/72/402400472.db2.gz ANQDZYCXGKYLAW-AWEZNQCLSA-N 0 0 309.373 2.186 10 30 DEEERN N#CC1(c2ccc(C(=O)Nc3nnc4n3CCCC4)cc2)CC1 ZINC000162751555 402430635 /nfs/dbraw/zinc/43/06/35/402430635.db2.gz VHVUFXZDMCXMEG-UHFFFAOYSA-N 0 0 307.357 2.422 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000186461643 402432651 /nfs/dbraw/zinc/43/26/51/402432651.db2.gz ZQTBJFHHEIGZPJ-AAEUAGOBSA-N 0 0 316.361 2.034 10 30 DEEERN N#Cc1cccc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)c1 ZINC000162943965 402437196 /nfs/dbraw/zinc/43/71/96/402437196.db2.gz GDLJRYBPIKDXGE-UHFFFAOYSA-N 0 0 317.352 2.316 10 30 DEEERN N#Cc1ccccc1/C=C/C(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000178545524 402510346 /nfs/dbraw/zinc/51/03/46/402510346.db2.gz KBMHPAQGKJNTKP-BBSZANLASA-N 0 0 304.349 2.346 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000178556224 402511692 /nfs/dbraw/zinc/51/16/92/402511692.db2.gz FCGBJZVKWBZJHI-DGCLKSJQSA-N 0 0 300.362 2.032 10 30 DEEERN N#Cc1ccc(F)c(CS(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)c1 ZINC000164410871 402462402 /nfs/dbraw/zinc/46/24/02/402462402.db2.gz LRCLOOCXYPJHLG-STQMWFEESA-N 0 0 308.378 2.259 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CC1(C#N)CC1 ZINC000164441701 402462480 /nfs/dbraw/zinc/46/24/80/402462480.db2.gz WKHPNCAGHKFVSD-UHFFFAOYSA-N 0 0 322.342 2.336 10 30 DEEERN Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(C#N)nc1 ZINC000165683304 402477786 /nfs/dbraw/zinc/47/77/86/402477786.db2.gz KKCMNKZMUKMWFE-LBPRGKRZSA-N 0 0 301.371 2.301 10 30 DEEERN C=CCOCCCC(=O)N[C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000187109400 402482994 /nfs/dbraw/zinc/48/29/94/402482994.db2.gz HKTBSXVRXUEUEN-CABCVRRESA-N 0 0 311.422 2.060 10 30 DEEERN Cc1noc([C@@H]2COCCN2Cc2ccc(Cl)cc2C#N)n1 ZINC000187468621 402502398 /nfs/dbraw/zinc/50/23/98/402502398.db2.gz ZTGDFBMAFJVLSK-AWEZNQCLSA-N 0 0 318.764 2.477 10 30 DEEERN C[C@@H](NC(=O)c1ccc(C#N)cn1)c1ccc2c(c1)OCCO2 ZINC000170968440 402545940 /nfs/dbraw/zinc/54/59/40/402545940.db2.gz UIJCSZVAVBFAET-LLVKDONJSA-N 0 0 309.325 2.215 10 30 DEEERN CSc1ccc(CNS(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000171078644 402555283 /nfs/dbraw/zinc/55/52/83/402555283.db2.gz QMHJIDHCMYWJAT-UHFFFAOYSA-N 0 0 319.411 2.154 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(C#N)cc3F)[C@H]2C1 ZINC000246231522 402519269 /nfs/dbraw/zinc/51/92/69/402519269.db2.gz FWEKILCKULOANW-PVAVHDDUSA-N 0 0 304.365 2.466 10 30 DEEERN COc1ccc(C#N)cc1CNc1cc(-n2cnnn2)ccc1F ZINC000178787068 402539922 /nfs/dbraw/zinc/53/99/22/402539922.db2.gz UIRLPNJMIPOOCM-UHFFFAOYSA-N 0 0 324.319 2.294 10 30 DEEERN C[C@@H](NC(=O)NCCCCC#N)c1ccc(-n2cncn2)cc1 ZINC000171727828 402615768 /nfs/dbraw/zinc/61/57/68/402615768.db2.gz UJMKTKKULPKQLH-CYBMUJFWSA-N 0 0 312.377 2.321 10 30 DEEERN N#Cc1ccc(CNC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000171751349 402618683 /nfs/dbraw/zinc/61/86/83/402618683.db2.gz RDECQRMDYMIVNP-SJORKVTESA-N 0 0 307.353 2.016 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1scc(C(=O)OC)c1C ZINC000180908101 402630058 /nfs/dbraw/zinc/63/00/58/402630058.db2.gz UKAJNVSKUYFVJQ-UHFFFAOYSA-N 0 0 324.402 2.206 10 30 DEEERN CO[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2C#N)CC[C@H]1C ZINC000251899673 402650582 /nfs/dbraw/zinc/65/05/82/402650582.db2.gz QWMTYGKKRQBONL-DVOMOZLQSA-N 0 0 301.390 2.242 10 30 DEEERN CC[C@@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000173798363 402712852 /nfs/dbraw/zinc/71/28/52/402712852.db2.gz GOCILJKTVCKOKZ-UKRRQHHQSA-N 0 0 317.389 2.146 10 30 DEEERN CCc1nc(CNS(=O)(=O)c2ccc(C#N)cc2C)cs1 ZINC000172675361 402669708 /nfs/dbraw/zinc/66/97/08/402669708.db2.gz ZMFGERLKEIIROU-UHFFFAOYSA-N 0 0 321.427 2.364 10 30 DEEERN C=C(C)CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000183602181 402780579 /nfs/dbraw/zinc/78/05/79/402780579.db2.gz AAPHFEYTICLVCO-AWEZNQCLSA-N 0 0 302.374 2.031 10 30 DEEERN CC(C)Cn1ccnc1CNCc1cnc2ccc(C#N)cn12 ZINC000174454670 402741901 /nfs/dbraw/zinc/74/19/01/402741901.db2.gz QWSZIQCMZFHUPW-UHFFFAOYSA-N 0 0 308.389 2.348 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccccc1Br ZINC000183254295 402751248 /nfs/dbraw/zinc/75/12/48/402751248.db2.gz TYRAREQXPQIRFR-LLVKDONJSA-N 0 0 313.195 2.185 10 30 DEEERN CSCCCC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183684081 402788886 /nfs/dbraw/zinc/78/88/86/402788886.db2.gz SGMDJGSATBXKSY-UHFFFAOYSA-N 0 0 301.375 2.221 10 30 DEEERN C=CCNS(=O)(=O)c1ccc(C(=O)NC2(CC)CCC2)cc1 ZINC000175467497 402808982 /nfs/dbraw/zinc/80/89/82/402808982.db2.gz SACXSSZPQSOMKB-UHFFFAOYSA-N 0 0 322.430 2.213 10 30 DEEERN COc1ccccc1N1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000175480343 402810031 /nfs/dbraw/zinc/81/00/31/402810031.db2.gz VDJSFVQRXGTXSK-UHFFFAOYSA-N 0 0 324.384 2.294 10 30 DEEERN COc1ccc(O)c(CNc2cnn(-c3ncccc3C#N)c2)c1 ZINC000184424305 402843255 /nfs/dbraw/zinc/84/32/55/402843255.db2.gz FXZNESUAKGAWDU-UHFFFAOYSA-N 0 0 321.340 2.465 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000184218264 402827716 /nfs/dbraw/zinc/82/77/16/402827716.db2.gz LHDVGOZNOASHDW-NEPJUHHUSA-N 0 0 310.419 2.114 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CSCC(C)=O ZINC000195390936 402844355 /nfs/dbraw/zinc/84/43/55/402844355.db2.gz MWJDCEAWMGPIJK-UHFFFAOYSA-N 0 0 322.386 2.432 10 30 DEEERN C[C@@H]1CC[C@H](C)CN1C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000176003525 402847285 /nfs/dbraw/zinc/84/72/85/402847285.db2.gz CHIGFNUFVZAZMM-WDEREUQCSA-N 0 0 303.337 2.283 10 30 DEEERN C=CCn1c(SCc2nc(N(C)C)no2)nnc1C1CC1 ZINC000184538016 402850063 /nfs/dbraw/zinc/85/00/63/402850063.db2.gz KOVMUJDVALIBJS-UHFFFAOYSA-N 0 0 306.395 2.083 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000278141260 402859228 /nfs/dbraw/zinc/85/92/28/402859228.db2.gz AOSYKAHUDRYZKF-HIFRSBDPSA-N 0 0 304.438 2.416 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000278913427 402885043 /nfs/dbraw/zinc/88/50/43/402885043.db2.gz QYLWMJQWCBSIIN-DYVFJYSZSA-N 0 0 301.361 2.417 10 30 DEEERN Cn1c2c(nc1[C@H]1CCCN1C(=O)CSCC#N)CCCC2 ZINC000279132864 402907667 /nfs/dbraw/zinc/90/76/67/402907667.db2.gz FESSNICEPUTAIL-CQSZACIVSA-N 0 0 318.446 2.219 10 30 DEEERN Cc1c(Cl)cnc(N2CC[C@@](O)(C(F)(F)F)C2)c1C#N ZINC000273372343 402998853 /nfs/dbraw/zinc/99/88/53/402998853.db2.gz RWPULQRGFKJSAF-NSHDSACASA-N 0 0 305.687 2.419 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000273565302 403015855 /nfs/dbraw/zinc/01/58/55/403015855.db2.gz JGSKHJIRRNOLIH-LBPRGKRZSA-N 0 0 321.352 2.011 10 30 DEEERN Cc1nc(C(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)ccc1C#N ZINC000273615960 403019902 /nfs/dbraw/zinc/01/99/02/403019902.db2.gz QGSLSXNPWMHTPP-DZGCQCFKSA-N 0 0 301.390 2.131 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(N(C)C)cc1 ZINC000280767340 403034807 /nfs/dbraw/zinc/03/48/07/403034807.db2.gz NYMKDERXIRYTJD-CZUORRHYSA-N 0 0 324.446 2.012 10 30 DEEERN C=CCCCN(C)C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000275048619 403099215 /nfs/dbraw/zinc/09/92/15/403099215.db2.gz UWDQIWQVSPPEDO-UHFFFAOYSA-N 0 0 318.421 2.026 10 30 DEEERN CN(Cc1ncccn1)[C@H]1CCN(c2cccc(F)c2C#N)C1 ZINC000275682843 403115768 /nfs/dbraw/zinc/11/57/68/403115768.db2.gz MCWQVVSTMOGZQT-ZDUSSCGKSA-N 0 0 311.364 2.198 10 30 DEEERN C=CCCN(C)S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000276046256 403141762 /nfs/dbraw/zinc/14/17/62/403141762.db2.gz GUCZVEFISLKTCP-UHFFFAOYSA-N 0 0 317.794 2.323 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2CSC2(C)C)c1 ZINC000282712362 403159045 /nfs/dbraw/zinc/15/90/45/403159045.db2.gz BGWSSEXGAAWNDH-CYBMUJFWSA-N 0 0 320.414 2.200 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000283535990 403204352 /nfs/dbraw/zinc/20/43/52/403204352.db2.gz HFDVWFOTLYDTCT-ZDUSSCGKSA-N 0 0 306.410 2.331 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CCOC[C@@H]1C ZINC000277454572 403219715 /nfs/dbraw/zinc/21/97/15/403219715.db2.gz MDJDJZPQBMMYQI-AAEUAGOBSA-N 0 0 306.337 2.384 10 30 DEEERN C=C(C)[C@H](CC(=O)N(C)Cc1nc([C@@H](C)OC)no1)OCC ZINC000270201806 403179605 /nfs/dbraw/zinc/17/96/05/403179605.db2.gz QHAITTVDIJDUPX-NEPJUHHUSA-N 0 0 311.382 2.107 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N[C@@H](C)c1ccccc1OC ZINC000284580293 403269564 /nfs/dbraw/zinc/26/95/64/403269564.db2.gz WMUMVUVEOAAUOJ-ZDUSSCGKSA-N 0 0 304.390 2.297 10 30 DEEERN CC(C)N1C(=O)N[C@@H]2CN(c3ccc(C#N)cc3F)CC[C@@H]21 ZINC000284602599 403269724 /nfs/dbraw/zinc/26/97/24/403269724.db2.gz PYBDJNBTAYZUMJ-HIFRSBDPSA-N 0 0 302.353 2.078 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCCOc1ccc(C)cc1 ZINC000285684980 403356886 /nfs/dbraw/zinc/35/68/86/403356886.db2.gz NMEGZRQUKZJSIO-UHFFFAOYSA-N 0 0 318.417 2.305 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000285845699 403393031 /nfs/dbraw/zinc/39/30/31/403393031.db2.gz PARHNNGSTXISKN-DOTOQJQBSA-N 0 0 307.397 2.265 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1C(C)=O ZINC000286079235 403444742 /nfs/dbraw/zinc/44/47/42/403444742.db2.gz ADMCEUYUYWQMPC-ROUUACIJSA-N 0 0 312.413 2.138 10 30 DEEERN C=C(CNC(=O)CNC(=O)c1ccc(OC)cc1)c1ccccc1 ZINC000345754692 403469913 /nfs/dbraw/zinc/46/99/13/403469913.db2.gz WKWSEICTMWPHBY-UHFFFAOYSA-N 0 0 324.380 2.255 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCSCC(=O)OC ZINC000286636802 403536347 /nfs/dbraw/zinc/53/63/47/403536347.db2.gz DBYLNZBMLXSXOV-HNNXBMFYSA-N 0 0 319.426 2.034 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccccc1OCC=C ZINC000287393657 403589902 /nfs/dbraw/zinc/58/99/02/403589902.db2.gz PGJXHLKFKUIBTG-UHFFFAOYSA-N 0 0 316.401 2.292 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](CC)C1 ZINC000287435592 403599246 /nfs/dbraw/zinc/59/92/46/403599246.db2.gz PVAJLGJYZJGJTD-IRXDYDNUSA-N 0 0 300.402 2.441 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(C(=O)OCC)c(C)cc1F ZINC000346855995 403605600 /nfs/dbraw/zinc/60/56/00/403605600.db2.gz WCURVDCVAWXMAR-NSHDSACASA-N 0 0 324.352 2.369 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](CO)CC1CCC1 ZINC000287308489 403572255 /nfs/dbraw/zinc/57/22/55/403572255.db2.gz JJOZBJZPVSAURY-MSOLQXFVSA-N 0 0 314.429 2.471 10 30 DEEERN C#CCN1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000302156121 403708738 /nfs/dbraw/zinc/70/87/38/403708738.db2.gz IUYQRCGLCKNUCH-UHFFFAOYSA-N 0 0 304.191 2.076 10 30 DEEERN C=CCO[C@H]1CCN(c2ncnc3c2cnn3C(C)(C)C)C1 ZINC000302202325 403708782 /nfs/dbraw/zinc/70/87/82/403708782.db2.gz ZUKSCTXSUOGMNE-LBPRGKRZSA-N 0 0 301.394 2.363 10 30 DEEERN N#Cc1ccc(CN2CC[C@H](Nc3ccc(C#N)nc3)C2=O)cc1 ZINC000302706535 403714092 /nfs/dbraw/zinc/71/40/92/403714092.db2.gz GZVSUGKPTXAUHX-KRWDZBQOSA-N 0 0 317.352 2.038 10 30 DEEERN C=CCNC(=O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000347465934 403719940 /nfs/dbraw/zinc/71/99/40/403719940.db2.gz CLNQPGCRFSQTFC-UHFFFAOYSA-N 0 0 305.334 2.190 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCC[C@H](C)CO ZINC000288124904 403729634 /nfs/dbraw/zinc/72/96/34/403729634.db2.gz YQSJJLXRCDMJAQ-DOTOQJQBSA-N 0 0 302.418 2.329 10 30 DEEERN C[C@@H]1C[C@H](S(=O)(=O)NC2(c3cccc(C#N)c3)CC2)CCO1 ZINC000333388685 403740484 /nfs/dbraw/zinc/74/04/84/403740484.db2.gz GPEPEXSTUMJUSU-IUODEOHRSA-N 0 0 320.414 2.034 10 30 DEEERN C=CCCOCCNC(=O)N[C@@H]1COc2ccc(F)cc2C1 ZINC000288245524 403742933 /nfs/dbraw/zinc/74/29/33/403742933.db2.gz GKLRUICXCXFQGJ-AWEZNQCLSA-N 0 0 308.353 2.021 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(CCO)C1CCC1 ZINC000288317207 403745898 /nfs/dbraw/zinc/74/58/98/403745898.db2.gz XILCSKSUMXGPRO-INIZCTEOSA-N 0 0 300.402 2.177 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCCCCCO ZINC000288807018 403773263 /nfs/dbraw/zinc/77/32/63/403773263.db2.gz UDRGISIHQQYLNF-KRWDZBQOSA-N 0 0 302.418 2.473 10 30 DEEERN N#Cc1ccnc(C(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)c1 ZINC000289281107 403894909 /nfs/dbraw/zinc/89/49/09/403894909.db2.gz SRELMKNKPLDVKV-CYBMUJFWSA-N 0 0 323.356 2.233 10 30 DEEERN CC#CCCNC(=O)C(=O)Nc1nc(CC)c(C(C)(C)C)s1 ZINC000411423412 403853771 /nfs/dbraw/zinc/85/37/71/403853771.db2.gz UVNOMEGCUJNTIO-UHFFFAOYSA-N 0 0 321.446 2.471 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](CO)Cc1ccc(OC)c(O)c1 ZINC000344022554 403854437 /nfs/dbraw/zinc/85/44/37/403854437.db2.gz XTPWUVXZTSUSQS-ZFWWWQNUSA-N 0 0 321.417 2.270 10 30 DEEERN C#Cc1ccc(CNC(=O)C[C@@H](C)NC(=O)C2CCCC2)cc1 ZINC000295363960 403882249 /nfs/dbraw/zinc/88/22/49/403882249.db2.gz FYJUBRDNURKYIX-CQSZACIVSA-N 0 0 312.413 2.369 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@@H](CC(=O)NC)c1ccccc1)OCC ZINC000362045810 403920101 /nfs/dbraw/zinc/92/01/01/403920101.db2.gz FAZRYKYALMJYGO-HOTGVXAUSA-N 0 0 318.417 2.351 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000341430087 403966033 /nfs/dbraw/zinc/96/60/33/403966033.db2.gz ILYLMSDNWHBLMD-HOTGVXAUSA-N 0 0 309.454 2.237 10 30 DEEERN N#CCCCCNc1ncc(I)cn1 ZINC000308520052 403957229 /nfs/dbraw/zinc/95/72/29/403957229.db2.gz RISGEYPSKGMYBT-UHFFFAOYSA-N 0 0 302.119 2.187 10 30 DEEERN C=CCN(C(=O)CC(C)(C)CCC)[C@H]1CCS(=O)(=O)C1 ZINC000362752615 403984281 /nfs/dbraw/zinc/98/42/81/403984281.db2.gz NXVDJAGWQXUKPR-ZDUSSCGKSA-N 0 0 301.452 2.405 10 30 DEEERN C=CCN(CCc1ccccc1)S(=O)(=O)CC(C)(C)OC ZINC000289546028 403985090 /nfs/dbraw/zinc/98/50/90/403985090.db2.gz RPVUCVHJBAFPCP-UHFFFAOYSA-N 0 0 311.447 2.472 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N(CC)CC(F)F)cc2C1=O ZINC000348135579 404045280 /nfs/dbraw/zinc/04/52/80/404045280.db2.gz JONYKWBHVPMUIH-UHFFFAOYSA-N 0 0 322.311 2.196 10 30 DEEERN Cc1c([C@H]2OCC[C@@H]2C(=O)NCc2ncccc2F)cnn1C ZINC000328612582 404113879 /nfs/dbraw/zinc/11/38/79/404113879.db2.gz PGHMDVFRQXMKIZ-NHYWBVRUSA-N 0 0 318.352 2.497 10 30 DEEERN Cc1c([C@H]2OCC[C@@H]2NC(=O)Nc2ccc(C)cn2)cnn1C ZINC000328621889 404116625 /nfs/dbraw/zinc/11/66/25/404116625.db2.gz IAUJJRAUVYFCIZ-DZGCQCFKSA-N 0 0 315.377 2.288 10 30 DEEERN CC(C)C[C@H](CCO)CNC(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC000328621245 404117821 /nfs/dbraw/zinc/11/78/21/404117821.db2.gz HPRBHWLXFUJGSC-KBPBESRZSA-N 0 0 323.437 2.273 10 30 DEEERN Cc1nnc([C@@H]2CCCCN2CC(=O)N[C@](C)(C#N)C2CC2)[nH]1 ZINC000328672797 404128813 /nfs/dbraw/zinc/12/88/13/404128813.db2.gz IMHWNPARMZTZOG-XJKSGUPXSA-N 0 0 316.409 2.289 10 30 DEEERN Cn1nccc1CC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328648116 404125506 /nfs/dbraw/zinc/12/55/06/404125506.db2.gz HXYQERGFYDKNKZ-GOEBONIOSA-N 0 0 300.362 2.234 10 30 DEEERN Cc1noc([C@@H]2CCCN(C(=O)N[C@@H]3CCO[C@@H]3C3CC3)C2)n1 ZINC000328825365 404158307 /nfs/dbraw/zinc/15/83/07/404158307.db2.gz HJRKXVWFDMBPBA-MGPQQGTHSA-N 0 0 320.393 2.039 10 30 DEEERN Cc1cc(N2CCN(C3CC3)[C@H](C#N)C2)nc(-c2ccccn2)n1 ZINC000363519923 404171993 /nfs/dbraw/zinc/17/19/93/404171993.db2.gz MQUQMTKDTKBENP-OAHLLOKOSA-N 0 0 320.400 2.024 10 30 DEEERN CC(C)[C@@H]1C[C@H](CC(=O)N[C@H]2COC[C@H]2n2ccnn2)CCO1 ZINC000329130060 404239348 /nfs/dbraw/zinc/23/93/48/404239348.db2.gz OEGQKTOFYXLFTD-BARDWOONSA-N 0 0 322.409 2.016 10 30 DEEERN O=C(CN1CCn2cnnc2C1)NC12CC3CC(CC(C3)C1)C2 ZINC000329138747 404241676 /nfs/dbraw/zinc/24/16/76/404241676.db2.gz ILJZMRFQZBOIPW-UHFFFAOYSA-N 0 0 315.421 2.019 10 30 DEEERN C#CCCCCNC(=O)NCCc1cnc2c(Cl)cnn2c1 ZINC000296482882 404269804 /nfs/dbraw/zinc/26/98/04/404269804.db2.gz PDAHSMPNFQRFKG-UHFFFAOYSA-N 0 0 319.796 2.028 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)CCc1nc(-c2ccccc2)no1 ZINC000290705790 404277969 /nfs/dbraw/zinc/27/79/69/404277969.db2.gz WYISJUJOZWUTJF-UHFFFAOYSA-N 0 0 321.380 2.400 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)COCC ZINC000355360566 404329058 /nfs/dbraw/zinc/32/90/58/404329058.db2.gz GYTDVBBAJJHBEB-ZDUSSCGKSA-N 0 0 310.394 2.285 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)NCc1ccc2[nH]c(C)c(C)c2c1 ZINC000355699119 404360823 /nfs/dbraw/zinc/36/08/23/404360823.db2.gz GTNKIMRIXDGZPI-UHFFFAOYSA-N 0 0 313.401 2.435 10 30 DEEERN C#CCCNC(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000370021847 404305752 /nfs/dbraw/zinc/30/57/52/404305752.db2.gz RQDOIXWQFTZJKH-UHFFFAOYSA-N 0 0 317.780 2.052 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](C(N)=O)c2ccccc21 ZINC000370447929 404391867 /nfs/dbraw/zinc/39/18/67/404391867.db2.gz RSUWQOVQBBBBAH-KDOFPFPSSA-N 0 0 316.401 2.221 10 30 DEEERN Cc1csc(C2(NCC(=O)NC(=O)NC3CC3)CCC2)n1 ZINC000329632589 404402954 /nfs/dbraw/zinc/40/29/54/404402954.db2.gz RXVMOLBPYYLEKB-UHFFFAOYSA-N 0 0 308.407 2.453 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000342174909 404421110 /nfs/dbraw/zinc/42/11/10/404421110.db2.gz FARWCGLYOZRSEB-XEZPLFJOSA-N 0 0 316.401 2.196 10 30 DEEERN Cc1ccc(-n2cccn2)cc1NC(=O)N(C)[C@@H]1CCOC1 ZINC000329990870 404518330 /nfs/dbraw/zinc/51/83/30/404518330.db2.gz JJZKCAIBOKNNKR-CQSZACIVSA-N 0 0 300.362 2.447 10 30 DEEERN O=C(N[C@H]1[C@@H]2COC[C@@H]21)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000330001913 404523271 /nfs/dbraw/zinc/52/32/71/404523271.db2.gz YKWQLXBFZNSYCB-IDTSFGKNSA-N 0 0 312.373 2.259 10 30 DEEERN CNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCN2Cc2ccccc2)C1 ZINC000329802997 404456982 /nfs/dbraw/zinc/45/69/82/404456982.db2.gz KXOVNLKNCIVYMQ-HZPDHXFCSA-N 0 0 315.417 2.086 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N(C)Cc1ccon1 ZINC000351171797 404525527 /nfs/dbraw/zinc/52/55/27/404525527.db2.gz UPQQSZWEJBOISG-UHFFFAOYSA-N 0 0 313.361 2.467 10 30 DEEERN C=CCC1(c2nc(COC[C@@H]3CCOC3)no2)CCOCC1 ZINC000351430977 404581585 /nfs/dbraw/zinc/58/15/85/404581585.db2.gz DJYNBOJXHQZUBD-CYBMUJFWSA-N 0 0 308.378 2.247 10 30 DEEERN C=CCC1(c2nc([C@@H]3CC(=O)N(CCC)C3)no2)CCOCC1 ZINC000351296002 404546525 /nfs/dbraw/zinc/54/65/25/404546525.db2.gz APROLLJVOQTYMC-CYBMUJFWSA-N 0 0 319.405 2.420 10 30 DEEERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NC[C@@H]2CC2(C)C)C1 ZINC000330188048 404578109 /nfs/dbraw/zinc/57/81/09/404578109.db2.gz UDZJLERTDPIDIZ-SDDRHHMPSA-N 0 0 308.382 2.100 10 30 DEEERN C=C[C@H](C)NC(=O)N1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000345275964 404652409 /nfs/dbraw/zinc/65/24/09/404652409.db2.gz WOSMEWFBWDYNTD-QWRGUYRKSA-N 0 0 321.343 2.051 10 30 DEEERN CCC[C@@H]1C[C@@H]1NC(=O)Nc1nc(CN2CCOCC2)cs1 ZINC000330279407 404613463 /nfs/dbraw/zinc/61/34/63/404613463.db2.gz QZCKVFMWFZNKHV-YPMHNXCESA-N 0 0 324.450 2.490 10 30 DEEERN C=C(C)CN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000351529216 404626639 /nfs/dbraw/zinc/62/66/39/404626639.db2.gz IOTOALQPQXSDQW-AWEZNQCLSA-N 0 0 304.415 2.236 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N1CCC[C@@H](CO)[C@H]1C ZINC000414530742 404669478 /nfs/dbraw/zinc/66/94/78/404669478.db2.gz SBWRVQGFLNBELB-OLZOCXBDSA-N 0 0 302.378 2.321 10 30 DEEERN C=CCOc1cccc(NC(=O)N[C@H](CCOC)COC)c1 ZINC000352944680 404700337 /nfs/dbraw/zinc/70/03/37/404700337.db2.gz RSJYQBJFJAFMRQ-CQSZACIVSA-N 0 0 308.378 2.424 10 30 DEEERN CCO[C@H]1C[C@@H](NC(=O)c2ccc(C#N)cc2)C12CCOCC2 ZINC000187059434 286485902 /nfs/dbraw/zinc/48/59/02/286485902.db2.gz HIEWMRICVDHAJN-CVEARBPZSA-N 0 0 314.385 2.262 10 30 DEEERN C=C(C)Cn1c(N(CCOC)[C@@H]2CCOC2)nnc1C(C)(C)C ZINC000359097111 404783415 /nfs/dbraw/zinc/78/34/15/404783415.db2.gz DTMHQGCFSZETIU-CQSZACIVSA-N 0 0 322.453 2.393 10 30 DEEERN C=CCN(CCC#N)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000359436887 404793585 /nfs/dbraw/zinc/79/35/85/404793585.db2.gz HRVANBBUZVBWEY-MRXNPFEDSA-N 0 0 305.378 2.176 10 30 DEEERN C=CCNC(=O)[C@@H](C)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000360669287 404834191 /nfs/dbraw/zinc/83/41/91/404834191.db2.gz NSUUPZJGWQCJOJ-RDTXWAMCSA-N 0 0 300.402 2.199 10 30 DEEERN C[C@@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1c(F)cccc1F ZINC000367157381 404950147 /nfs/dbraw/zinc/95/01/47/404950147.db2.gz HSAMAGYLJLYCCA-DGCLKSJQSA-N 0 0 319.355 2.267 10 30 DEEERN CC[C@@H](CC#N)NC(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000435019705 404951266 /nfs/dbraw/zinc/95/12/66/404951266.db2.gz FXBSNRATQFWMCK-ZJUUUORDSA-N 0 0 320.418 2.015 10 30 DEEERN C[C@@H](C(=O)N(C)c1ccc(F)c(Cl)c1)n1cnc(C#N)n1 ZINC000361263535 404998541 /nfs/dbraw/zinc/99/85/41/404998541.db2.gz UHSGIGQPAOEJKN-QMMMGPOBSA-N 0 0 307.716 2.166 10 30 DEEERN CCC1(CC)CN(c2snc(C)c2C#N)CCS1(=O)=O ZINC000408178209 405131455 /nfs/dbraw/zinc/13/14/55/405131455.db2.gz WDBICXWGVBUFQJ-UHFFFAOYSA-N 0 0 313.448 2.117 10 30 DEEERN C=CCC1(C(=O)N[C@H]2COc3ccccc3C2)CCOCC1 ZINC000424584289 405122956 /nfs/dbraw/zinc/12/29/56/405122956.db2.gz NOZWPBYSGXVHLX-OAHLLOKOSA-N 0 0 301.386 2.479 10 30 DEEERN C=CCC1(C(=O)NCc2cccc3c2OCO3)CCOCC1 ZINC000424713434 405157437 /nfs/dbraw/zinc/15/74/37/405157437.db2.gz DPUCDQCHFOHSMF-UHFFFAOYSA-N 0 0 303.358 2.404 10 30 DEEERN C=CCN(Cc1nnnn1C(C)(C)C)Cc1cccc(C#N)c1 ZINC000361649525 405181421 /nfs/dbraw/zinc/18/14/21/405181421.db2.gz CZTPNZQTSZJBBL-UHFFFAOYSA-N 0 0 310.405 2.488 10 30 DEEERN C=CCC1(C(=O)N2C[C@@H](CC)O[C@]3(CCOC3)C2)CCOCC1 ZINC000424809664 405184972 /nfs/dbraw/zinc/18/49/72/405184972.db2.gz IRFJXPCAAOXBEY-CRAIPNDOSA-N 0 0 323.433 2.156 10 30 DEEERN C=CCC1(C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)CCOCC1 ZINC000424815340 405186847 /nfs/dbraw/zinc/18/68/47/405186847.db2.gz WGBFYVMYDRMFSH-GOSISDBHSA-N 0 0 323.433 2.156 10 30 DEEERN C#CCCCS(=O)(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000367901959 405187125 /nfs/dbraw/zinc/18/71/25/405187125.db2.gz NYJXAFZYDHMTBW-CVEARBPZSA-N 0 0 307.415 2.097 10 30 DEEERN CC[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@H]1O ZINC000408452553 405209652 /nfs/dbraw/zinc/20/96/52/405209652.db2.gz NHJDTQOXEZKLSZ-BXKDBHETSA-N 0 0 323.190 2.164 10 30 DEEERN C=CCCn1cc(C(=O)N[C@]2(CO)C[C@H](C)CC(C)(C)C2)nn1 ZINC000424772443 405174282 /nfs/dbraw/zinc/17/42/82/405174282.db2.gz DVZAHHAPDFFNKH-CXAGYDPISA-N 0 0 320.437 2.161 10 30 DEEERN C=CCC1(C(=O)NCCCO[C@H]2CCCCO2)CCOCC1 ZINC000425296348 405269844 /nfs/dbraw/zinc/26/98/44/405269844.db2.gz GSMVOZRAMUKLGS-HNNXBMFYSA-N 0 0 311.422 2.409 10 30 DEEERN CO[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C[C@@H]1C ZINC000452832813 405249451 /nfs/dbraw/zinc/24/94/51/405249451.db2.gz KRXAFSJSFGUAPP-AHIWAGSCSA-N 0 0 324.421 2.131 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000452924931 405260284 /nfs/dbraw/zinc/26/02/84/405260284.db2.gz OUPQFHBMCUHHEO-KOLCDFICSA-N 0 0 316.279 2.096 10 30 DEEERN C=CCC[C@H](CO)NC(=O)Nc1ccc2cc[nH]c(=O)c2c1 ZINC000425722010 405315428 /nfs/dbraw/zinc/31/54/28/405315428.db2.gz GYQNSPZFDDDHEZ-CYBMUJFWSA-N 0 0 301.346 2.389 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1nnc([C@@H](C)CC)[nH]1 ZINC000425862124 405325329 /nfs/dbraw/zinc/32/53/29/405325329.db2.gz WXEGZSDYRBWVSJ-RNJOBUHISA-N 0 0 321.425 2.270 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]1CCCC ZINC000425881524 405326200 /nfs/dbraw/zinc/32/62/00/405326200.db2.gz KTZQJQKIUQAVLW-VGWMRTNUSA-N 0 0 322.449 2.169 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000425893021 405327295 /nfs/dbraw/zinc/32/72/95/405327295.db2.gz RQGYFSWFMZNITI-XQLPTFJDSA-N 0 0 322.449 2.025 10 30 DEEERN C=C[C@@](C)(O)CC(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000425972095 405332631 /nfs/dbraw/zinc/33/26/31/405332631.db2.gz VQPIEYVVJJXZTR-MRXNPFEDSA-N 0 0 302.330 2.220 10 30 DEEERN C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)NCC1CCC(C#N)CC1 ZINC000441031069 405333183 /nfs/dbraw/zinc/33/31/83/405333183.db2.gz GHCIYNALXDEXTO-HSBZDZAISA-N 0 0 322.453 2.261 10 30 DEEERN C=CCn1cc(CNC(=O)NCC[C@H]2CCC[C@@H](C)C2)nn1 ZINC000425447619 405292401 /nfs/dbraw/zinc/29/24/01/405292401.db2.gz HAAOKKQUVMFMEW-ZIAGYGMSSA-N 0 0 305.426 2.480 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CO)CC1CCCCC1 ZINC000425562775 405303574 /nfs/dbraw/zinc/30/35/74/405303574.db2.gz HGXYUMNGZHHZHC-XHSDSOJGSA-N 0 0 310.438 2.208 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@](C)(CO)C(C)C)cc1OC ZINC000427385605 405403081 /nfs/dbraw/zinc/40/30/81/405403081.db2.gz XQNPIPBAJOZVSX-QGZVFWFLSA-N 0 0 307.390 2.397 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)Cc1cc(F)cc(OC)c1 ZINC000455606160 405433403 /nfs/dbraw/zinc/43/34/03/405433403.db2.gz NMQFWSCNEKEZHL-SMDDNHRTSA-N 0 0 310.369 2.002 10 30 DEEERN Cn1c(C#N)ccc1C(=O)Nc1ncccc1OCCCC#N ZINC000448870845 405457667 /nfs/dbraw/zinc/45/76/67/405457667.db2.gz CLPQIAGIWYSBDC-UHFFFAOYSA-N 0 0 309.329 2.227 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N1CC[C@]12CCOC2 ZINC000421309352 405462849 /nfs/dbraw/zinc/46/28/49/405462849.db2.gz LOUONGQIRNIADV-GOSISDBHSA-N 0 0 314.385 2.135 10 30 DEEERN C=CCCCNC(=O)N1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000458717843 405556754 /nfs/dbraw/zinc/55/67/54/405556754.db2.gz GPZFOIBSNISTSV-LBPRGKRZSA-N 0 0 307.360 2.478 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N(C)[C@H](C)CS(=O)(=O)CC ZINC000633410766 405628681 /nfs/dbraw/zinc/62/86/81/405628681.db2.gz CBCISJSPYNOXKS-CYBMUJFWSA-N 0 0 318.483 2.443 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC000633411860 405629867 /nfs/dbraw/zinc/62/98/67/405629867.db2.gz ZLCAZINOEOZDOD-HNNXBMFYSA-N 0 0 309.454 2.489 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(C)c(-c2cnn(C)c2)c1 ZINC000633314810 405567275 /nfs/dbraw/zinc/56/72/75/405567275.db2.gz FRKSNIVUWYJTPI-SJORKVTESA-N 0 0 311.385 2.469 10 30 DEEERN N#CC1CCC(CNC(=O)N[C@@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC000458749379 405570327 /nfs/dbraw/zinc/57/03/27/405570327.db2.gz ZUIDVTXHNIZGKX-CXMPNGEBSA-N 0 0 319.449 2.413 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1coc(C(F)(F)F)n1 ZINC000635889807 405584329 /nfs/dbraw/zinc/58/43/29/405584329.db2.gz MNIFULKHZIYWRX-WPRPVWTQSA-N 0 0 304.268 2.404 10 30 DEEERN C=CCC(C)(C)CNC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000458807823 405602080 /nfs/dbraw/zinc/60/20/80/405602080.db2.gz GQRBPNPFWZCXFZ-UONOGXRCSA-N 0 0 307.438 2.289 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCC(N2CCNC2=O)CC1 ZINC000633422978 405636878 /nfs/dbraw/zinc/63/68/78/405636878.db2.gz PMNCMBYVSXKJST-UHFFFAOYSA-N 0 0 322.453 2.178 10 30 DEEERN C=CCn1c(C(C)C)nnc1N1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000558674517 405687064 /nfs/dbraw/zinc/68/70/64/405687064.db2.gz CBHCBTSWTAZTLI-PBHICJAKSA-N 0 0 320.437 2.362 10 30 DEEERN C=CCn1c(CC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000558678164 405688854 /nfs/dbraw/zinc/68/88/54/405688854.db2.gz ZMYNBTZJTRYEPT-ZQIUZPCESA-N 0 0 320.437 2.189 10 30 DEEERN C=CCn1c(C2CCCC2)nnc1N1CCN(C2CC2)CC1 ZINC000558661808 405682792 /nfs/dbraw/zinc/68/27/92/405682792.db2.gz OKCVVRJKUKXIOC-UHFFFAOYSA-N 0 0 301.438 2.406 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633527263 405700033 /nfs/dbraw/zinc/70/00/33/405700033.db2.gz OJQYXXVMHQJHNC-ZDUSSCGKSA-N 0 0 303.406 2.402 10 30 DEEERN C=CCC(C)(C)CNC(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C ZINC000432559198 405781944 /nfs/dbraw/zinc/78/19/44/405781944.db2.gz CIWABISVJMUGIG-QWHCGFSZSA-N 0 0 300.443 2.046 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)NCCc1cn(C)cn1 ZINC000459191542 405794222 /nfs/dbraw/zinc/79/42/22/405794222.db2.gz XXGGGTDHRNAFDX-UHFFFAOYSA-N 0 0 323.400 2.232 10 30 DEEERN C=CCOCC(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633748979 405819119 /nfs/dbraw/zinc/81/91/19/405819119.db2.gz UGZOJXJSVHKLRH-LBPRGKRZSA-N 0 0 303.280 2.058 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)CCC(=O)Nc1nnc(C2CC2)o1 ZINC000584089884 405820499 /nfs/dbraw/zinc/82/04/99/405820499.db2.gz PZNOVYFABDTLGS-LBPRGKRZSA-N 0 0 318.377 2.233 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCOC[C@@H]1C ZINC000432429581 405766190 /nfs/dbraw/zinc/76/61/90/405766190.db2.gz GOQQBAQCSFMRMI-SWLSCSKDSA-N 0 0 305.374 2.415 10 30 DEEERN C[C@H](NC(=O)Cc1cccc(C#N)c1)C(=O)N1CCCC[C@H]1C ZINC000530917301 405882118 /nfs/dbraw/zinc/88/21/18/405882118.db2.gz YBWYKMCDEOHCCL-KGLIPLIRSA-N 0 0 313.401 2.006 10 30 DEEERN CN(Cc1ccnn1C)c1ncc(Br)cc1C#N ZINC000450494957 405928385 /nfs/dbraw/zinc/92/83/85/405928385.db2.gz QFTKRSUVGCJGAQ-UHFFFAOYSA-N 0 0 306.167 2.086 10 30 DEEERN C=CCCC(C)(C)CNC(=O)[C@](C)(O)Cn1ccc(C)cc1=O ZINC000633964513 405933709 /nfs/dbraw/zinc/93/37/09/405933709.db2.gz CIAWNRIFQYSZCG-GOSISDBHSA-N 0 0 320.433 2.016 10 30 DEEERN Cn1cc([C@@H](NC(=O)NCC(C)(C)CC#N)C(F)(F)F)cn1 ZINC000459544568 405948386 /nfs/dbraw/zinc/94/83/86/405948386.db2.gz RCCYEOJVDRELFN-SNVBAGLBSA-N 0 0 317.315 2.263 10 30 DEEERN CC[C@H](C)Oc1cc(CNC(=O)c2ccc(C#N)n2C)ccn1 ZINC000450446583 405901543 /nfs/dbraw/zinc/90/15/43/405901543.db2.gz OYNRRLHJFZADAJ-LBPRGKRZSA-N 0 0 312.373 2.399 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)c1cn(CC2CC2)nn1 ZINC000450488483 405924374 /nfs/dbraw/zinc/92/43/74/405924374.db2.gz PATSOSNMRMNOET-UHFFFAOYSA-N 0 0 300.362 2.152 10 30 DEEERN CCn1cc(CN(C)C(=O)NCC2CCC(C#N)CC2)cn1 ZINC000562462668 406013944 /nfs/dbraw/zinc/01/39/44/406013944.db2.gz NUVDZLVOLRHRFB-UHFFFAOYSA-N 0 0 303.410 2.374 10 30 DEEERN Cn1nc([C@H]2CCCO2)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000562500955 406019898 /nfs/dbraw/zinc/01/98/98/406019898.db2.gz SFWCTFCJABEQKT-OAHLLOKOSA-N 0 0 310.357 2.324 10 30 DEEERN CC#CCCNC(=O)Nc1ccc(F)cc1N1CCOCC1 ZINC000459727064 406023261 /nfs/dbraw/zinc/02/32/61/406023261.db2.gz CDHDICYDXCNWCY-UHFFFAOYSA-N 0 0 305.353 2.197 10 30 DEEERN C=C[C@](C)(O)C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000634037291 405972374 /nfs/dbraw/zinc/97/23/74/405972374.db2.gz PDVWVBRWVMQFEG-JLNYLFASSA-N 0 0 322.202 2.140 10 30 DEEERN C=CCN(Cc1ccccc1F)S(=O)(=O)c1cncn1CC ZINC000433814249 405984927 /nfs/dbraw/zinc/98/49/27/405984927.db2.gz HMCQQOICHCPQTO-UHFFFAOYSA-N 0 0 323.393 2.419 10 30 DEEERN Cn1cc(-c2nn(C)cc2NC(=O)c2sccc2C#N)cn1 ZINC000562414502 406004343 /nfs/dbraw/zinc/00/43/43/406004343.db2.gz GKIXDYPLEDWYBH-UHFFFAOYSA-N 0 0 312.358 2.006 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1ccc(C)c(-c2cnn(C)c2)c1 ZINC000632295648 406082381 /nfs/dbraw/zinc/08/23/81/406082381.db2.gz RFWMCEAPRAAEPE-CQSZACIVSA-N 0 0 313.401 2.310 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000566477643 406088524 /nfs/dbraw/zinc/08/85/24/406088524.db2.gz IQNYRZRGGLWQTF-UHFFFAOYSA-N 0 0 313.401 2.379 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1CCO[C@H](CC(C)C)C1 ZINC000636817397 406090609 /nfs/dbraw/zinc/09/06/09/406090609.db2.gz UNHSLZANPAQIBF-LSDHHAIUSA-N 0 0 324.465 2.415 10 30 DEEERN C=CCn1c(N(C)C[C@H]2CCCOC2)nnc1[C@@]1(C)CCCO1 ZINC000562790916 406055584 /nfs/dbraw/zinc/05/55/84/406055584.db2.gz NDPDTKLEVAQKCK-RHSMWYFYSA-N 0 0 320.437 2.353 10 30 DEEERN C=C(C)Cn1c(N2CCC[C@@H](OC)C2)nnc1[C@]1(C)CCCO1 ZINC000562785109 406055624 /nfs/dbraw/zinc/05/56/24/406055624.db2.gz ZDRPYTRFALINKU-PBHICJAKSA-N 0 0 320.437 2.495 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1nc(C)c(C)s1 ZINC000636756485 406074026 /nfs/dbraw/zinc/07/40/26/406074026.db2.gz DZRGJHFZZLTPGD-UHFFFAOYSA-N 0 0 309.435 2.095 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)C1CCOCC1 ZINC000636765083 406075865 /nfs/dbraw/zinc/07/58/65/406075865.db2.gz QZHUFYOTMYVKAR-ZDUSSCGKSA-N 0 0 310.438 2.026 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1cccc(F)c1F ZINC000637042306 406159850 /nfs/dbraw/zinc/15/98/50/406159850.db2.gz LRWALIAMHASKGU-UHFFFAOYSA-N 0 0 310.344 2.300 10 30 DEEERN CN1Cc2ccccc2[C@@H](NC(=O)Cc2cccc(C#N)c2)C1 ZINC000533831288 406163549 /nfs/dbraw/zinc/16/35/49/406163549.db2.gz IRXMZFDKLVJGHU-SFHVURJKSA-N 0 0 305.381 2.404 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)c1nnc(C)s1 ZINC000636866605 406106129 /nfs/dbraw/zinc/10/61/29/406106129.db2.gz DMPTYEZMPBEYFG-JTQLQIEISA-N 0 0 324.450 2.132 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000567695036 406121111 /nfs/dbraw/zinc/12/11/11/406121111.db2.gz TWFBJHPEMNFOPZ-HOCLYGCPSA-N 0 0 314.385 2.356 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](F)C3)cc2C1=O ZINC000517165304 406123679 /nfs/dbraw/zinc/12/36/79/406123679.db2.gz FIZDFWKBTLPDEH-GFCCVEGCSA-N 0 0 316.332 2.043 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000567743363 406131565 /nfs/dbraw/zinc/13/15/65/406131565.db2.gz SDWDEMZIITZZOS-NXOAAHMSSA-N 0 0 316.401 2.095 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccnn1CC1CCC1 ZINC000634466784 406142079 /nfs/dbraw/zinc/14/20/79/406142079.db2.gz GJPSIUHZQNXYCG-CQSZACIVSA-N 0 0 304.394 2.093 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000637000022 406145560 /nfs/dbraw/zinc/14/55/60/406145560.db2.gz QMUQNWGIVFMLTK-HOTGVXAUSA-N 0 0 322.449 2.313 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)C[C@@H]1CCCC(F)(F)C1 ZINC000632481783 406155466 /nfs/dbraw/zinc/15/54/66/406155466.db2.gz HAJDWMOTUXCAGW-AGIUHOORSA-N 0 0 323.405 2.322 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCc2ncsc2C1 ZINC000632601823 406196232 /nfs/dbraw/zinc/19/62/32/406196232.db2.gz QCQBWWSRLYBUEE-UHFFFAOYSA-N 0 0 321.446 2.136 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCS[C@H](C)CC1 ZINC000632610113 406199574 /nfs/dbraw/zinc/19/95/74/406199574.db2.gz WPVMETGRQWRNTH-CYBMUJFWSA-N 0 0 312.479 2.449 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCO[C@H](C(F)F)CC1 ZINC000634751582 406264680 /nfs/dbraw/zinc/26/46/80/406264680.db2.gz SXTRBZIGVJSNCW-OLZOCXBDSA-N 0 0 304.381 2.156 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cnnn2-c2cccc(F)c2)C1 ZINC000637498646 406328728 /nfs/dbraw/zinc/32/87/28/406328728.db2.gz OQNWFVQUSSTVDI-LBPRGKRZSA-N 0 0 300.337 2.445 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000570040932 406338007 /nfs/dbraw/zinc/33/80/07/406338007.db2.gz WRAIFPZKQSOKKY-ZFWWWQNUSA-N 0 0 317.389 2.101 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)NCc1csc(C(F)(F)F)c1 ZINC000637528211 406338673 /nfs/dbraw/zinc/33/86/73/406338673.db2.gz TYTWGQXLLIAECL-JTQLQIEISA-N 0 0 320.336 2.340 10 30 DEEERN C=CCC[C@H](CO)NC(=O)NCc1ccc(C(C)(C)C)[nH]c1=O ZINC000637608953 406364105 /nfs/dbraw/zinc/36/41/05/406364105.db2.gz XYOHDQNUZXBOOY-CYBMUJFWSA-N 0 0 321.421 2.211 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccnn1CC1CCC1 ZINC000635060123 406413844 /nfs/dbraw/zinc/41/38/44/406413844.db2.gz YMXFNBGJBKQVSN-UHFFFAOYSA-N 0 0 304.394 2.046 10 30 DEEERN C=CCC(C)(C)CNC(=O)C(=O)Nc1ccnn1CC1CCC1 ZINC000635177901 406450417 /nfs/dbraw/zinc/45/04/17/406450417.db2.gz WQYIDNRESRLHSL-UHFFFAOYSA-N 0 0 318.421 2.340 10 30 DEEERN C=CCCCCCNC(=O)N1CCC(CS(C)(=O)=O)CC1 ZINC000571698570 406553812 /nfs/dbraw/zinc/55/38/12/406553812.db2.gz RYYYBPQQRWBJQR-UHFFFAOYSA-N 0 0 316.467 2.199 10 30 DEEERN N#Cc1ccsc1C(=O)Nc1cc([C@H]2CCCOC2)[nH]n1 ZINC000527475742 406640134 /nfs/dbraw/zinc/64/01/34/406640134.db2.gz OWUJTQTYVUHAOL-JTQLQIEISA-N 0 0 302.359 2.489 10 30 DEEERN N#Cc1cc(I)cc(OC(F)F)c1O ZINC000575661591 406816235 /nfs/dbraw/zinc/81/62/35/406816235.db2.gz JVCYOWGRZKLUAZ-UHFFFAOYSA-N 0 0 311.025 2.470 10 30 DEEERN CCOc1cc([N+](=O)[O-])c(I)cc1C#N ZINC000575670840 406817225 /nfs/dbraw/zinc/81/72/25/406817225.db2.gz NFRYWRCRZAANGB-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN CCOc1c(I)c(C#N)ccc1[N+](=O)[O-] ZINC000575671523 406817489 /nfs/dbraw/zinc/81/74/89/406817489.db2.gz TZJPBYSIKSQYJZ-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN C=CCCOCCNC(=O)NC[C@@H]1CSc2ccccc2O1 ZINC000576342761 406830470 /nfs/dbraw/zinc/83/04/70/406830470.db2.gz YEDNZGIGQOOCOK-CYBMUJFWSA-N 0 0 322.430 2.432 10 30 DEEERN CC[C@]1(O)CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000329719170 288489360 /nfs/dbraw/zinc/48/93/60/288489360.db2.gz ZZDQNXNJIKZDMF-KFNAQCHYSA-N 0 0 311.426 2.281 10 30 DEEERN C=C(C)CN(CC)S(=O)(=O)c1ccc(N)c2cccnc21 ZINC000130543685 196089336 /nfs/dbraw/zinc/08/93/36/196089336.db2.gz IJRSZJYJPYUTHG-UHFFFAOYSA-N 0 0 305.403 2.404 10 30 DEEERN CCCn1c(Sc2cc(C#N)ccc2C(C)=O)n[nH]c1=O ZINC000131395656 196164774 /nfs/dbraw/zinc/16/47/74/196164774.db2.gz SPNFMJVHOSWJMW-UHFFFAOYSA-N 0 0 302.359 2.207 10 30 DEEERN Cc1cc(C#CCO)cc(C(=O)N2C[C@@H](C)S[C@H](C)C2)c1 ZINC000131662935 196189280 /nfs/dbraw/zinc/18/92/80/196189280.db2.gz DORKJQRALURNRG-ZIAGYGMSSA-N 0 0 303.427 2.305 10 30 DEEERN Cn1cc(C#N)c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000131916612 196209881 /nfs/dbraw/zinc/20/98/81/196209881.db2.gz MSBXNTBUXAYGBR-UHFFFAOYSA-N 0 0 305.681 2.106 10 30 DEEERN N#Cc1ccc(CNc2nc(N)ncc2Br)cc1 ZINC000132585524 196268473 /nfs/dbraw/zinc/26/84/73/196268473.db2.gz CWIOEFXREOBCTK-UHFFFAOYSA-N 0 0 304.151 2.305 10 30 DEEERN C=C(Br)CNC(=O)c1ccccc1N(C)C(C)=O ZINC000133247050 196324587 /nfs/dbraw/zinc/32/45/87/196324587.db2.gz WOYRKVGGXUMWFZ-UHFFFAOYSA-N 0 0 311.179 2.308 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000135550707 196486648 /nfs/dbraw/zinc/48/66/48/196486648.db2.gz XDYSBXWTHVKLHM-CZUORRHYSA-N 0 0 320.414 2.053 10 30 DEEERN C[C@@H](CC#N)N(C)C(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC000137000115 196559648 /nfs/dbraw/zinc/55/96/48/196559648.db2.gz KGVDBAHHOLPYPJ-NSHDSACASA-N 0 0 323.393 2.258 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2ccc3[nH]cnc3c2)cc1 ZINC000174194852 224780166 /nfs/dbraw/zinc/78/01/66/224780166.db2.gz XJTLFXWBINNCIM-UHFFFAOYSA-N 0 0 306.325 2.243 10 30 DEEERN N#Cc1ccc(C2(C(=O)Nc3ccnc4ccnn43)CC2)cc1 ZINC000187079629 224976427 /nfs/dbraw/zinc/97/64/27/224976427.db2.gz WVIRYSWSBRFMEW-UHFFFAOYSA-N 0 0 303.325 2.271 10 30 DEEERN Cc1ccc2c(CCNS(=O)(=O)CCCC#N)cn(C)c2c1 ZINC000188701869 225029573 /nfs/dbraw/zinc/02/95/73/225029573.db2.gz XBVUFQIKTULSEO-UHFFFAOYSA-N 0 0 319.430 2.252 10 30 DEEERN COC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCn3cc(C)nc32)C1 ZINC000328655136 225779311 /nfs/dbraw/zinc/77/93/11/225779311.db2.gz MNCKJIRAZNXONB-CABCVRRESA-N 0 0 320.437 2.341 10 30 DEEERN Cc1c(C(=O)N[C@@H](C)C(=O)N2CCCCC2)sc2nccn12 ZINC000328693154 225785040 /nfs/dbraw/zinc/78/50/40/225785040.db2.gz FNVCFECDOYGDQE-JTQLQIEISA-N 0 0 320.418 2.410 10 30 DEEERN Cc1noc([C@H](C)N2CCN(C(=O)NCC3CCCC3)CC2)n1 ZINC000329384997 225873711 /nfs/dbraw/zinc/87/37/11/225873711.db2.gz RVFFMLNXEPNOHC-LBPRGKRZSA-N 0 0 321.425 2.161 10 30 DEEERN O=C(Nc1cnn(-c2ccccc2F)c1)N1CC(O)(C2CC2)C1 ZINC000330015413 225957935 /nfs/dbraw/zinc/95/79/35/225957935.db2.gz NYMYXJYRBMCQAI-UHFFFAOYSA-N 0 0 316.336 2.014 10 30 DEEERN N#C[C@]1(c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)CC12CCCC2 ZINC000333220176 226103297 /nfs/dbraw/zinc/10/32/97/226103297.db2.gz VWZPTZZNTBBOKR-IGCXYCKISA-N 0 0 314.389 2.331 10 30 DEEERN CN(C)C1(C#N)CCN(C(=O)NC[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000333371259 226104939 /nfs/dbraw/zinc/10/49/39/226104939.db2.gz JANZNPLYUJVJSR-GJZGRUSLSA-N 0 0 304.438 2.052 10 30 DEEERN N#C[C@H]1CN(C(=O)Cc2ccc3c(c2)CCCC3)CCN1C1CC1 ZINC000370991565 227061143 /nfs/dbraw/zinc/06/11/43/227061143.db2.gz LARRUMQRSYBFRW-IBGZPJMESA-N 0 0 323.440 2.307 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2ccc(F)cc2Cl)CCN1C1CC1 ZINC000370987047 227061944 /nfs/dbraw/zinc/06/19/44/227061944.db2.gz WTJVLUVYKIMPSB-GFCCVEGCSA-N 0 0 307.756 2.291 10 30 DEEERN CCn1nc(CN2CCN(C3CC3)[C@@H](C#N)C2)c2ccccc21 ZINC000372219603 227085116 /nfs/dbraw/zinc/08/51/16/227085116.db2.gz YCMKDSQEDVCVEN-HNNXBMFYSA-N 0 0 309.417 2.228 10 30 DEEERN Cn1ccc2cccc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c21 ZINC000373767330 227117814 /nfs/dbraw/zinc/11/78/14/227117814.db2.gz ZSJFSPKGVZNEEG-HNNXBMFYSA-N 0 0 323.400 2.382 10 30 DEEERN Cc1cccc2c1OC[C@H](NC(=O)N1CC3(C1)CCCOC3)C2 ZINC000329612931 292609473 /nfs/dbraw/zinc/60/94/73/292609473.db2.gz KFEXGUIORVDCFF-OAHLLOKOSA-N 0 0 316.401 2.325 10 30 DEEERN N#CC1(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)CCCCC1 ZINC000374753610 227139051 /nfs/dbraw/zinc/13/90/51/227139051.db2.gz TTYBPQRKIOMNTP-GJZGRUSLSA-N 0 0 320.433 2.144 10 30 DEEERN N#CCCN(CCC#N)C(=O)CNc1cccc2c1OCCC2 ZINC000378131033 227208406 /nfs/dbraw/zinc/20/84/06/227208406.db2.gz DPVQDFWITYHLDQ-UHFFFAOYSA-N 0 0 312.373 2.079 10 30 DEEERN C[C@H]1CCC[C@](C#N)(NC(=O)C2CN(CC(F)(F)F)C2)C1 ZINC000408350884 227232371 /nfs/dbraw/zinc/23/23/71/227232371.db2.gz AVYSDWVJYJRXSD-GWCFXTLKSA-N 0 0 303.328 2.069 10 30 DEEERN CCc1noc([C@H](C)N2CCN([C@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000408380666 227232539 /nfs/dbraw/zinc/23/25/39/227232539.db2.gz BPKFVFYAGHSRPS-MJBXVCDLSA-N 0 0 303.410 2.003 10 30 DEEERN Cc1noc(CCCN2CCC[C@]3(CCCCO3)[C@@H]2C#N)n1 ZINC000408450514 227234153 /nfs/dbraw/zinc/23/41/53/227234153.db2.gz HRGYTIYMPUZOEJ-GOEBONIOSA-N 0 0 304.394 2.238 10 30 DEEERN Cc1noc(CCCN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)n1 ZINC000408450517 227234531 /nfs/dbraw/zinc/23/45/31/227234531.db2.gz HRGYTIYMPUZOEJ-HOCLYGCPSA-N 0 0 304.394 2.238 10 30 DEEERN N#Cc1cccc(CC(=O)NCc2nc3cc(F)ccc3[nH]2)c1 ZINC000530675341 269971866 /nfs/dbraw/zinc/97/18/66/269971866.db2.gz OMTHXLDEWBQXLS-UHFFFAOYSA-N 0 0 308.316 2.433 10 30 DEEERN CCCC[C@H](COC)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000173152922 266039182 /nfs/dbraw/zinc/03/91/82/266039182.db2.gz PNBBZWJVDXPALA-OAHLLOKOSA-N 0 0 319.405 2.441 10 30 DEEERN C=CCN(C(=O)NCCNc1cc(C)nc(C(C)C)n1)C1CC1 ZINC000637411875 424852639 /nfs/dbraw/zinc/85/26/39/424852639.db2.gz WESWJWKFWJZOCK-UHFFFAOYSA-N 0 0 317.437 2.680 10 30 DEEERN N#Cc1cc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)ccn1 ZINC000193168475 424867200 /nfs/dbraw/zinc/86/72/00/424867200.db2.gz ARVJXBZFDZMWHU-CABCVRRESA-N 0 0 317.414 2.080 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNc1nnc(C2CCOCC2)s1 ZINC000555200173 424880541 /nfs/dbraw/zinc/88/05/41/424880541.db2.gz PWIUYLGDVBPEHD-STQMWFEESA-N 0 0 309.435 2.825 10 30 DEEERN C=CC[C@H](CO)CNC(=O)Nc1nn(C2CCCCC2)cc1C ZINC000345282035 424995709 /nfs/dbraw/zinc/99/57/09/424995709.db2.gz PPARJFFNJGOBHY-AWEZNQCLSA-N 0 0 320.437 3.003 10 30 DEEERN C=CCCN(C)C(=O)Nc1ccn([C@@H](CCC)C(=O)OCC)n1 ZINC000597051450 425030516 /nfs/dbraw/zinc/03/05/16/425030516.db2.gz JVAQCFNIYXDJBD-ZDUSSCGKSA-N 0 0 322.409 2.827 10 30 DEEERN C=CC[C@H](CO)CNc1nn2cc(C3CCCC3)nc2s1 ZINC000436463013 425032113 /nfs/dbraw/zinc/03/21/13/425032113.db2.gz WKAIJGLYGXRJRA-NSHDSACASA-N 0 0 306.435 3.045 10 30 DEEERN CCC(CC)c1nnc(NC(=O)c2ccc(C#N)n2C)s1 ZINC000448761242 425059443 /nfs/dbraw/zinc/05/94/43/425059443.db2.gz OZOGMPQNTPXALA-UHFFFAOYSA-N 0 0 303.391 2.904 10 30 DEEERN C=CCOc1ccc(CNc2nc(-c3nccn3C)no2)cc1 ZINC000347807634 425014286 /nfs/dbraw/zinc/01/42/86/425014286.db2.gz INHFTTKWNPUSJB-UHFFFAOYSA-N 0 0 311.345 2.647 10 30 DEEERN Cc1cc(NCc2nn(C)cc2Br)cc(C#N)n1 ZINC000308276084 267348853 /nfs/dbraw/zinc/34/88/53/267348853.db2.gz GBRMSBSZJFMDEE-UHFFFAOYSA-N 0 0 306.167 2.370 10 30 DEEERN CS(=O)(=O)c1ccc(NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000531391426 267665931 /nfs/dbraw/zinc/66/59/31/267665931.db2.gz ZURCBYWBQYNWGO-UHFFFAOYSA-N 0 0 314.366 2.143 10 30 DEEERN N#Cc1nc(N)n(Cc2csc(Br)c2)c1C#N ZINC000192451019 268322416 /nfs/dbraw/zinc/32/24/16/268322416.db2.gz GDMLUCUGVARCRX-UHFFFAOYSA-N 0 0 308.164 2.081 10 30 DEEERN CN(C(=O)C#Cc1ccccc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000175147222 276729621 /nfs/dbraw/zinc/72/96/21/276729621.db2.gz DENPYYRVTFIJRQ-GOSISDBHSA-N 0 0 318.376 2.302 10 30 DEEERN C#CCCCNC(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000174120955 276775951 /nfs/dbraw/zinc/77/59/51/276775951.db2.gz SPKWKIWTTBRPEF-UHFFFAOYSA-N 0 0 319.430 2.019 10 30 DEEERN CC(C)(C#N)c1cc(Br)c(S(N)(=O)=O)cc1F ZINC000088613716 277121221 /nfs/dbraw/zinc/12/12/21/277121221.db2.gz IXTAHEFWKSYQBG-UHFFFAOYSA-N 0 0 321.171 2.037 10 30 DEEERN CC(C)(C)c1nnsc1C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000330323828 277280234 /nfs/dbraw/zinc/28/02/34/277280234.db2.gz TVXLLZAJYYURPG-SECBINFHSA-N 0 0 305.407 2.421 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000189447415 277778707 /nfs/dbraw/zinc/77/87/07/277778707.db2.gz LTQVWFXHWZBGPB-ZDUSSCGKSA-N 0 0 324.450 2.047 10 30 DEEERN C=C1C(=O)O[C@H]2C[C@H](C)C([C@H](CC(C)=O)OC(C)=O)=CC[C@H]12 ZINC000004098227 277812130 /nfs/dbraw/zinc/81/21/30/277812130.db2.gz DPSCQKGSAHTWSP-MQEKWNBNSA-N 0 0 306.358 2.351 10 30 biogenic,in-vitro DEEERN C=C[C@@](C)(CC)C(=O)N1CCS(=O)(=O)C(CC)(CC)C1 ZINC000442806348 277905894 /nfs/dbraw/zinc/90/58/94/277905894.db2.gz BIPJWOBVTXVPBT-AWEZNQCLSA-N 0 0 301.452 2.405 10 30 DEEERN CC1(C#N)CCN(C(=O)c2cnc(-c3ncccn3)s2)CC1 ZINC000356970323 278171178 /nfs/dbraw/zinc/17/11/78/278171178.db2.gz IETWRVWOLORYTB-UHFFFAOYSA-N 0 0 313.386 2.366 10 30 DEEERN C[C@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CCC1=O ZINC000302743350 279878796 /nfs/dbraw/zinc/87/87/96/279878796.db2.gz DLOIOCPPUGHBJS-JTQLQIEISA-N 0 0 310.313 2.430 10 30 DEEERN CC(C)[C@H](C)NC(=O)CN1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000373835920 280215496 /nfs/dbraw/zinc/21/54/96/280215496.db2.gz JCKRVFCFBMHWRQ-ZOBUZTSGSA-N 0 0 307.438 2.074 10 30 DEEERN CC(C)[C@H](C)NC(=O)CN1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000373835918 280216130 /nfs/dbraw/zinc/21/61/30/280216130.db2.gz JCKRVFCFBMHWRQ-YQQAZPJKSA-N 0 0 307.438 2.074 10 30 DEEERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000329871322 297561858 /nfs/dbraw/zinc/56/18/58/297561858.db2.gz CJDCKDTXOAQQNK-QBYUYEEZSA-N 0 0 306.406 2.255 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC(C)(C)C[C@@H]1C ZINC000565644264 331756879 /nfs/dbraw/zinc/75/68/79/331756879.db2.gz IOMFQTMONZBOSE-STQMWFEESA-N 0 0 306.410 2.177 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000186665939 332941970 /nfs/dbraw/zinc/94/19/70/332941970.db2.gz YLJDGJHGUHSGNH-LLVKDONJSA-N 0 0 324.229 2.350 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000566275484 332307704 /nfs/dbraw/zinc/30/77/04/332307704.db2.gz CPIPIVXYAIVJIZ-XGUBFFRZSA-N 0 0 323.433 2.404 10 30 DEEERN C=C(C)Cn1c(N2CCOC(C)(C)C2)nnc1[C@@]1(C)CCCO1 ZINC000583363973 332355286 /nfs/dbraw/zinc/35/52/86/332355286.db2.gz XISSRIZJOYCBLL-QGZVFWFLSA-N 0 0 320.437 2.495 10 30 DEEERN Cc1nc(Cc2noc(C3(c4ccc(C#N)cc4)CC3)n2)no1 ZINC000187998078 333008539 /nfs/dbraw/zinc/00/85/39/333008539.db2.gz NHYRURQMMITZEF-UHFFFAOYSA-N 0 0 307.313 2.303 10 30 DEEERN Cc1cccc2c1OCC[C@H]2NS(=O)(=O)CC1(C#N)CC1 ZINC000188409941 333045887 /nfs/dbraw/zinc/04/58/87/333045887.db2.gz MFWNNKZTBBQFFA-CYBMUJFWSA-N 0 0 306.387 2.042 10 30 DEEERN COc1ccc([C@@H](C)NS(=O)(=O)CCCC#N)cc1F ZINC000111325973 333329077 /nfs/dbraw/zinc/32/90/77/333329077.db2.gz WXAZWIQUFHXGRQ-SNVBAGLBSA-N 0 0 300.355 2.118 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000185710625 333370647 /nfs/dbraw/zinc/37/06/47/333370647.db2.gz IWAZKZKLFGXFIY-CYBMUJFWSA-N 0 0 305.765 2.193 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NS(=O)(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000295959535 335138756 /nfs/dbraw/zinc/13/87/56/335138756.db2.gz JVLJDQSTGRRQSA-USXIJHARSA-N 0 0 321.442 2.108 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](NC(=O)c1ccccn1)C(C)C ZINC000340051982 334118062 /nfs/dbraw/zinc/11/80/62/334118062.db2.gz YNIOWZBRBHGBLU-OAHLLOKOSA-N 0 0 303.406 2.261 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)OC ZINC000344083651 335216429 /nfs/dbraw/zinc/21/64/29/335216429.db2.gz JXYNCBFULGEUHJ-DOMZBBRYSA-N 0 0 323.364 2.465 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1c(C)nn(CC)c1C ZINC000520605922 335994079 /nfs/dbraw/zinc/99/40/79/335994079.db2.gz GWMYVXFPBYUVLI-UHFFFAOYSA-N 0 0 306.410 2.321 10 30 DEEERN C#CCNC(=O)CNc1nc(-c2ccccc2)nc2ccccc21 ZINC000301128729 336291355 /nfs/dbraw/zinc/29/13/55/336291355.db2.gz WBWJPXWUVWWWAE-UHFFFAOYSA-N 0 0 316.364 2.458 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC(OC)(c2ccccc2)C1 ZINC000514585918 336383430 /nfs/dbraw/zinc/38/34/30/336383430.db2.gz IDBHKANNOJXSCC-CVEARBPZSA-N 0 0 316.401 2.287 10 30 DEEERN CC(C)(C)[C@@H](C#N)NC(=O)CCc1nc2ccccc2oc1=O ZINC000362341424 336793054 /nfs/dbraw/zinc/79/30/54/336793054.db2.gz HGFQDEGWKRIHDO-CQSZACIVSA-N 0 0 313.357 2.175 10 30 DEEERN N#CCN1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000375781431 337019372 /nfs/dbraw/zinc/01/93/72/337019372.db2.gz XDFQXZZZBNAYQK-AWEZNQCLSA-N 0 0 309.373 2.365 10 30 DEEERN N#CCCCOc1cccnc1NC(=O)NCC1(CCO)CC1 ZINC000188713326 337033267 /nfs/dbraw/zinc/03/32/67/337033267.db2.gz GBEDIELSXWCAMO-UHFFFAOYSA-N 0 0 318.377 2.048 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000185466932 337205555 /nfs/dbraw/zinc/20/55/55/337205555.db2.gz APEPSADUWYLUCJ-LBPRGKRZSA-N 0 0 300.358 2.001 10 30 DEEERN C[C@@H](C#N)CNC(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000190823194 337292560 /nfs/dbraw/zinc/29/25/60/337292560.db2.gz OGXOJMLTAMSTDD-LBPRGKRZSA-N 0 0 320.824 2.157 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCOC2(CCCC2)C1 ZINC000583763222 337331425 /nfs/dbraw/zinc/33/14/25/337331425.db2.gz UDBQKTVNVINMRZ-UHFFFAOYSA-N 0 0 308.422 2.021 10 30 DEEERN N#CCCOCc1ccc(N)c(I)c1 ZINC000584630140 337376762 /nfs/dbraw/zinc/37/67/62/337376762.db2.gz MIECZBRNBXKJBR-UHFFFAOYSA-N 0 0 302.115 2.304 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC000514995245 337976039 /nfs/dbraw/zinc/97/60/39/337976039.db2.gz AVCHSDDMKFNDCB-NEPJUHHUSA-N 0 0 315.425 2.050 10 30 DEEERN C=CCNC(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000505740954 340176352 /nfs/dbraw/zinc/17/63/52/340176352.db2.gz YSVLZENZMRZWKH-CYBMUJFWSA-N 0 0 320.393 2.386 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)OCC2(C#N)CCC2)C1 ZINC000183891382 340489738 /nfs/dbraw/zinc/48/97/38/340489738.db2.gz PFZGTTYVTOTXCX-GFCCVEGCSA-N 0 0 308.378 2.480 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000184225500 340491344 /nfs/dbraw/zinc/49/13/44/340491344.db2.gz ZATXGXUBPDFXKZ-GFCCVEGCSA-N 0 0 315.373 2.279 10 30 DEEERN C=C[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000126792993 340834698 /nfs/dbraw/zinc/83/46/98/340834698.db2.gz RHZDMKDJENUQJR-AJNGGQMLSA-N 0 0 300.406 2.305 10 30 DEEERN C=CC[C@H](CO)NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000545279940 341119182 /nfs/dbraw/zinc/11/91/82/341119182.db2.gz YSQBIZZHESXQLW-CYBMUJFWSA-N 0 0 319.430 2.024 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000076485976 341208066 /nfs/dbraw/zinc/20/80/66/341208066.db2.gz IJLCFOVTSXSBJK-UHFFFAOYSA-N 0 0 314.385 2.374 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F ZINC000547400848 341211424 /nfs/dbraw/zinc/21/14/24/341211424.db2.gz SZHHKCFALHXFSL-SECBINFHSA-N 0 0 319.327 2.324 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CC[C@@H](C2CC2)C1 ZINC000549685672 341300598 /nfs/dbraw/zinc/30/05/98/341300598.db2.gz RSHWCNHZTGXOMC-CABCVRRESA-N 0 0 318.421 2.178 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000248912970 341390107 /nfs/dbraw/zinc/39/01/07/341390107.db2.gz VQXBWQHSTAFJOZ-ARFHVFGLSA-N 0 0 304.390 2.143 10 30 DEEERN C=CCN(C)c1nnc([C@@]2(C)CCCO2)n1C[C@H]1CCCCO1 ZINC000568721791 341679623 /nfs/dbraw/zinc/67/96/23/341679623.db2.gz VAZAONCIOCMRBD-RHSMWYFYSA-N 0 0 320.437 2.495 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1nc(C2CC2)cs1 ZINC000568755727 341680681 /nfs/dbraw/zinc/68/06/81/341680681.db2.gz JKMCEWPXLOIVDK-AAEUAGOBSA-N 0 0 307.419 2.411 10 30 DEEERN C=CCCCCCNC(=O)Cn1cnc2sccc2c1=O ZINC000577073228 341883566 /nfs/dbraw/zinc/88/35/66/341883566.db2.gz NCIQWVNMJHJFQX-UHFFFAOYSA-N 0 0 305.403 2.321 10 30 DEEERN C=CCC1(C(=O)N(CCOC)Cc2ccccn2)CCOCC1 ZINC000577852791 341943364 /nfs/dbraw/zinc/94/33/64/341943364.db2.gz KYGPNMGJKHSEKN-UHFFFAOYSA-N 0 0 318.417 2.430 10 30 DEEERN Cc1ccc(C[C@@H](C)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000378505675 534109742 /nfs/dbraw/zinc/10/97/42/534109742.db2.gz NMQBASOMTSYYKW-QAPCUYQASA-N 0 0 311.429 2.372 10 30 DEEERN Cc1ccc(N2CCN(Cc3cccc(O)c3)CC2)nc1C#N ZINC000302604124 534166524 /nfs/dbraw/zinc/16/65/24/534166524.db2.gz CSVAZCOGXIIGSB-UHFFFAOYSA-N 0 0 308.385 2.290 10 30 DEEERN C[C@H](NC(=O)Cc1ccc2n[nH]cc2c1)C(=O)N1CCCCC1 ZINC000329996131 534277961 /nfs/dbraw/zinc/27/79/61/534277961.db2.gz OIQNNSRHZFXJCX-LBPRGKRZSA-N 0 0 314.389 2.463 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450845890 534316344 /nfs/dbraw/zinc/31/63/44/534316344.db2.gz OBZPHCNYKLOLQQ-VIFPVBQESA-N 0 0 318.251 2.280 10 30 DEEERN CC(=O)N1CCc2cc(NC(=O)c3cc(C#N)ccn3)ccc21 ZINC000339240068 519632588 /nfs/dbraw/zinc/63/25/88/519632588.db2.gz NJGYVGBXEAPCHS-UHFFFAOYSA-N 0 0 306.325 2.115 10 30 DEEERN C=CCC(C)(C)CNC(=O)N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000458814063 534547896 /nfs/dbraw/zinc/54/78/96/534547896.db2.gz UAPVFZCUNKNBKY-RRFJBIMHSA-N 0 0 310.438 2.160 10 30 DEEERN C=CCNC(=O)CNC(=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC000454775645 534858669 /nfs/dbraw/zinc/85/86/69/534858669.db2.gz QSMDSFNTSVRWNU-AWEZNQCLSA-N 0 0 323.343 2.114 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000246946666 525960835 /nfs/dbraw/zinc/96/08/35/525960835.db2.gz PBCOFNPIUGNWSX-XCRHUMRWSA-N 0 0 316.401 2.383 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCCC(=O)NC1CCCCC1 ZINC000162326636 526191070 /nfs/dbraw/zinc/19/10/70/526191070.db2.gz VKMXIDOLONREIC-UHFFFAOYSA-N 0 0 313.401 2.436 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](CC)C(=O)OC ZINC000338724436 526347835 /nfs/dbraw/zinc/34/78/35/526347835.db2.gz DGRLHIWMZDIRJT-CQSZACIVSA-N 0 0 320.345 2.309 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)Cn1cncn1 ZINC000299675728 526361344 /nfs/dbraw/zinc/36/13/44/526361344.db2.gz WAXXSUDZCACQOF-ZDUSSCGKSA-N 0 0 317.368 2.204 10 30 DEEERN CC#CCNC(=O)C(=O)Nc1nc(CC)c(C(C)(C)C)s1 ZINC000411413496 526369006 /nfs/dbraw/zinc/36/90/06/526369006.db2.gz GYCVGOGPVAWEFS-UHFFFAOYSA-N 0 0 307.419 2.081 10 30 DEEERN C=CCN(Cc1nnnn1C(C)C)Cc1ccc(OC)cc1 ZINC000195097318 526382784 /nfs/dbraw/zinc/38/27/84/526382784.db2.gz KEOZJCACEISJHN-UHFFFAOYSA-N 0 0 301.394 2.451 10 30 DEEERN C=CCN1CC[C@@H](N2CCc3ccc(C(C)=O)cc3CC2)C1=O ZINC000374173632 526482020 /nfs/dbraw/zinc/48/20/20/526482020.db2.gz HWDYVCPJEFUGHB-GOSISDBHSA-N 0 0 312.413 2.077 10 30 DEEERN C=C(C)CN(C)C(=O)[C@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C ZINC000190059982 526497840 /nfs/dbraw/zinc/49/78/40/526497840.db2.gz MTNLTIQLEUMCOV-QWHCGFSZSA-N 0 0 312.410 2.045 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCO[C@@H](c2nccs2)C1 ZINC000249867718 526537882 /nfs/dbraw/zinc/53/78/82/526537882.db2.gz IMJSRPZSESSVCZ-ZIAGYGMSSA-N 0 0 323.462 2.330 10 30 DEEERN C=CCNC(=O)CN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195400462 526540878 /nfs/dbraw/zinc/54/08/78/526540878.db2.gz NGSHEDJCMCHEER-GFCCVEGCSA-N 0 0 323.462 2.116 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)Sc1n[nH]c(=O)n1CCC ZINC000023763244 526544425 /nfs/dbraw/zinc/54/44/25/526544425.db2.gz GIBFTKZOCKTQNQ-NSHDSACASA-N 0 0 312.439 2.299 10 30 DEEERN C=CCNC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000173888528 526581571 /nfs/dbraw/zinc/58/15/71/526581571.db2.gz PZQRXFIKXRVAMJ-UHFFFAOYSA-N 0 0 314.288 2.344 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000376989532 526671449 /nfs/dbraw/zinc/67/14/49/526671449.db2.gz WUHUBBBQDYWGHD-SFHVURJKSA-N 0 0 306.365 2.121 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(OC)c(OC)c1OC ZINC000289202677 526674678 /nfs/dbraw/zinc/67/46/78/526674678.db2.gz SCQGXNBPGQPKDI-UHFFFAOYSA-N 0 0 301.342 2.314 10 30 DEEERN C#CCC1(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)CCCCC1 ZINC000373761694 526676017 /nfs/dbraw/zinc/67/60/17/526676017.db2.gz AIBAKYWYNLADAR-RRFJBIMHSA-N 0 0 302.418 2.086 10 30 DEEERN C=CCOCC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337140882 526693970 /nfs/dbraw/zinc/69/39/70/526693970.db2.gz UVDARALWLGKQPM-AWEZNQCLSA-N 0 0 303.406 2.128 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000341942751 526699257 /nfs/dbraw/zinc/69/92/57/526699257.db2.gz CJNJZYXXHYQPEE-TZMCWYRMSA-N 0 0 306.381 2.188 10 30 DEEERN C=CCOCCCC(=O)N1CCN(c2ncc(CC)s2)CC1 ZINC000361873431 526732932 /nfs/dbraw/zinc/73/29/32/526732932.db2.gz AWUFQYPEBUIYEH-UHFFFAOYSA-N 0 0 323.462 2.337 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CC[C@H](C(N)=O)c2ccccc21)OCC ZINC000340426069 526745466 /nfs/dbraw/zinc/74/54/66/526745466.db2.gz GHFSXIVNGNFFHJ-GOEBONIOSA-N 0 0 316.401 2.364 10 30 DEEERN C=CCOCCNC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000371674327 526776086 /nfs/dbraw/zinc/77/60/86/526776086.db2.gz FRYRDDWMKNOSJO-KBPBESRZSA-N 0 0 308.378 2.080 10 30 DEEERN C=CCOCCNC(=O)N1CCOC[C@@H]1c1ccc(CC)o1 ZINC000375834317 526776820 /nfs/dbraw/zinc/77/68/20/526776820.db2.gz XJVBHAJYZCAQID-CQSZACIVSA-N 0 0 308.378 2.128 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000331794395 526778426 /nfs/dbraw/zinc/77/84/26/526778426.db2.gz QQLRSDIPQYSRHP-MRRJBJDNSA-N 0 0 314.385 2.210 10 30 DEEERN C=C(C)[C@H](Cc1nc(-c2ccc(CC(N)=O)cc2)no1)OCC ZINC000357151712 526816769 /nfs/dbraw/zinc/81/67/69/526816769.db2.gz WYCFDUPZUXGXJZ-AWEZNQCLSA-N 0 0 315.373 2.288 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c(CC)ncnc1CC ZINC000352692856 526832215 /nfs/dbraw/zinc/83/22/15/526832215.db2.gz KQBAYECARFKUQJ-MLGOLLRUSA-N 0 0 303.406 2.312 10 30 DEEERN C=CCOc1ccc(C(=O)N2C[C@H](O)CC[C@H]2C)cc1OC ZINC000422021479 526843116 /nfs/dbraw/zinc/84/31/16/526843116.db2.gz YKBKPGIPIFPLAH-TZMCWYRMSA-N 0 0 305.374 2.245 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(CC)C1CC(C)(C)C1 ZINC000422427029 526844214 /nfs/dbraw/zinc/84/42/14/526844214.db2.gz CMUQWAPTIACAEU-DZGCQCFKSA-N 0 0 322.449 2.121 10 30 DEEERN C=CCOc1ccc(CNC(=O)N2CC[C@@]23CCOC3)cc1 ZINC000422196170 526877415 /nfs/dbraw/zinc/87/74/15/526877415.db2.gz DFFCPKWCLYIHHZ-KRWDZBQOSA-N 0 0 302.374 2.326 10 30 DEEERN C=CCOc1cccnc1C(=O)NCC1(CO)CC2(CCC2)C1 ZINC000447627254 526960129 /nfs/dbraw/zinc/96/01/29/526960129.db2.gz VJVAGLWZKFFQAY-UHFFFAOYSA-N 0 0 316.401 2.319 10 30 DEEERN CC(C)(CCC#N)CNC(=O)NC[C@@H](CO)c1ccccc1 ZINC000358707593 526992472 /nfs/dbraw/zinc/99/24/72/526992472.db2.gz LXIBWTSWZMKWJT-HNNXBMFYSA-N 0 0 303.406 2.392 10 30 DEEERN C=CCSc1ccccc1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000428141388 527008473 /nfs/dbraw/zinc/00/84/73/527008473.db2.gz IBPGSPBNFNMQNX-AWEZNQCLSA-N 0 0 320.458 2.103 10 30 DEEERN C=CCSc1ccccc1C(=O)N1CCO[C@H]([C@H](C)O)C1 ZINC000412935901 527009070 /nfs/dbraw/zinc/00/90/70/527009070.db2.gz XQSPRSJICUUNQQ-JSGCOSHPSA-N 0 0 307.415 2.187 10 30 DEEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(Cl)c1C(=O)OC ZINC000411234197 527020368 /nfs/dbraw/zinc/02/03/68/527020368.db2.gz BEOVFOUAIIJRTB-SECBINFHSA-N 0 0 324.764 2.146 10 30 DEEERN C=CCC1(C(=O)NCc2ccc(NC(C)=O)nc2)CCOCC1 ZINC000424857474 527056290 /nfs/dbraw/zinc/05/62/90/527056290.db2.gz RPTWCPGWCAUDGX-UHFFFAOYSA-N 0 0 317.389 2.029 10 30 DEEERN C#CCOCCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000245910963 527067559 /nfs/dbraw/zinc/06/75/59/527067559.db2.gz RGWFLIJBDZNVGA-DOTOQJQBSA-N 0 0 320.820 2.241 10 30 DEEERN C#CCOc1ccccc1NC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000188083981 527133763 /nfs/dbraw/zinc/13/37/63/527133763.db2.gz FMBOVSVORZXVII-WMZOPIPTSA-N 0 0 322.364 2.478 10 30 DEEERN C=CCCCCNC(=O)N1CCC(Oc2cnccn2)CC1 ZINC000373323467 527149411 /nfs/dbraw/zinc/14/94/11/527149411.db2.gz LPLLZDJCSJTHBW-UHFFFAOYSA-N 0 0 304.394 2.386 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@@]1(CCC)COC ZINC000410954981 527173840 /nfs/dbraw/zinc/17/38/40/527173840.db2.gz PITPKWLYBRHKNT-KRWDZBQOSA-N 0 0 310.438 2.219 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCOC[C@@H]1C ZINC000288825041 527173844 /nfs/dbraw/zinc/17/38/44/527173844.db2.gz VIFPCDGWOFJGBU-USXIJHARSA-N 0 0 300.402 2.345 10 30 DEEERN C#CC[C@H](NC(=O)C[C@H]1CCOC[C@@H]1OC)c1ccccc1 ZINC000296625762 527174757 /nfs/dbraw/zinc/17/47/57/527174757.db2.gz VIGCDYVPAURVIF-IKGGRYGDSA-N 0 0 301.386 2.309 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](C)c1ccncc1CC ZINC000347353662 527179159 /nfs/dbraw/zinc/17/91/59/527179159.db2.gz PMGCOQMCGVFBNP-CYBMUJFWSA-N 0 0 303.406 2.246 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccccc1-c1noc(C)n1 ZINC000370376261 527202158 /nfs/dbraw/zinc/20/21/58/527202158.db2.gz YCUOOXKRTMHWLD-LLVKDONJSA-N 0 0 302.334 2.104 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000185860349 527207004 /nfs/dbraw/zinc/20/70/04/527207004.db2.gz GOVSJKRBWPCZPJ-SNVBAGLBSA-N 0 0 305.765 2.397 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000280587784 527209835 /nfs/dbraw/zinc/20/98/35/527209835.db2.gz XGTYCXSOQSRVKM-UHFFFAOYSA-N 0 0 306.362 2.033 10 30 DEEERN C=CCCCNS(=O)(=O)c1cc(F)cc(C(=O)OCC)c1 ZINC000447874196 527234524 /nfs/dbraw/zinc/23/45/24/527234524.db2.gz KMXLXNXACSJXGG-UHFFFAOYSA-N 0 0 315.366 2.247 10 30 DEEERN C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCOCC1 ZINC000337707750 527267295 /nfs/dbraw/zinc/26/72/95/527267295.db2.gz ALVPVIPXUVYQAV-UHFFFAOYSA-N 0 0 302.353 2.415 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)NCCc1cc(F)ccc1F ZINC000347543325 527281252 /nfs/dbraw/zinc/28/12/52/527281252.db2.gz PVGQWVFFVXHXHU-LBPRGKRZSA-N 0 0 324.371 2.485 10 30 DEEERN C=CCn1c(CC(C)C)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC000282745547 527312598 /nfs/dbraw/zinc/31/25/98/527312598.db2.gz YJRATVWLVWWXGU-AWEZNQCLSA-N 0 0 314.437 2.390 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CC[C@](F)(C(=O)OC)C1 ZINC000282164907 527315897 /nfs/dbraw/zinc/31/58/97/527315897.db2.gz DEFRDELZGNJJJC-MRXNPFEDSA-N 0 0 324.400 2.144 10 30 DEEERN C=CCn1c(COCC)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000337855753 527323281 /nfs/dbraw/zinc/32/32/81/527323281.db2.gz LHKOECLXFFZYRB-HUUCEWRRSA-N 0 0 320.437 2.254 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000338097492 527371391 /nfs/dbraw/zinc/37/13/91/527371391.db2.gz JHNGLQLVBQNTEC-CABCVRRESA-N 0 0 324.465 2.367 10 30 DEEERN CC(=O)c1cccc(OCC(=O)N(C[C@H](C)C#N)C2CC2)c1 ZINC000338303671 527371748 /nfs/dbraw/zinc/37/17/48/527371748.db2.gz MTIPAGYBENUEHT-GFCCVEGCSA-N 0 0 300.358 2.419 10 30 DEEERN C=C[C@@H](CC(=O)NCCc1nnc2n1CCC2)c1ccccc1 ZINC000340117323 527422369 /nfs/dbraw/zinc/42/23/69/527422369.db2.gz KDOQBTSLEXXBFA-AWEZNQCLSA-N 0 0 310.401 2.243 10 30 DEEERN CC(C)C(=O)N[C@@H]1CCCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000407970263 527519230 /nfs/dbraw/zinc/51/92/30/527519230.db2.gz ZGDUJVPMTASQAO-CQSZACIVSA-N 0 0 305.422 2.224 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000358226519 527529620 /nfs/dbraw/zinc/52/96/20/527529620.db2.gz QMJBVUPUTKAZCJ-IRXDYDNUSA-N 0 0 311.422 2.012 10 30 DEEERN C=CCN(C)C(=O)C(=O)N(C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000410821002 527554523 /nfs/dbraw/zinc/55/45/23/527554523.db2.gz HMVINKGWAKFMOJ-MRXNPFEDSA-N 0 0 320.408 2.496 10 30 DEEERN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CCC[C@H]2C#N)C1 ZINC000408335053 527573506 /nfs/dbraw/zinc/57/35/06/527573506.db2.gz SGHBXOLCHLUINF-MELADBBJSA-N 0 0 305.422 2.080 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(C(=O)OCC)cn1 ZINC000339473791 527588065 /nfs/dbraw/zinc/58/80/65/527588065.db2.gz SLVDOFNPBFUOKR-UHFFFAOYSA-N 0 0 316.279 2.449 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)CNC(=O)c1cccnc1 ZINC000126761712 527595582 /nfs/dbraw/zinc/59/55/82/527595582.db2.gz AUVJATKSVFTDFL-UHFFFAOYSA-N 0 0 315.417 2.406 10 30 DEEERN C=CCN(CC=C)C(=O)CN(C[C@@H](O)CC)c1ccccc1 ZINC000339727689 527608012 /nfs/dbraw/zinc/60/80/12/527608012.db2.gz LXXNMLARBFWCAN-KRWDZBQOSA-N 0 0 302.418 2.465 10 30 DEEERN CC(C)C[C@@H](C)OCCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000372695353 528275379 /nfs/dbraw/zinc/27/53/79/528275379.db2.gz WYSYLDHFOBFJNU-ZBFHGGJFSA-N 0 0 307.438 2.026 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)CNc1cccc2c1OCCC2 ZINC000370530883 528627854 /nfs/dbraw/zinc/62/78/54/528627854.db2.gz INOBHLJEOXPTTB-ZDUSSCGKSA-N 0 0 301.390 2.432 10 30 DEEERN CO[C@H](CNC(=O)c1ccc(C#N)n1C)c1ccc(F)cc1 ZINC000450005604 536636798 /nfs/dbraw/zinc/63/67/98/536636798.db2.gz PAYQKOXSRHRMFK-OAHLLOKOSA-N 0 0 301.321 2.153 10 30 DEEERN COc1ccc(C#N)cc1CN1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000246910454 536643126 /nfs/dbraw/zinc/64/31/26/536643126.db2.gz RQFARCGKIKJSIA-JFIYKMOQSA-N 0 0 316.401 2.335 10 30 DEEERN C#CC[C@H](OC(=O)c1cn(CC(=O)C(C)(C)C)nn1)C(C)C ZINC000178285235 625496707 /nfs/dbraw/zinc/49/67/07/625496707.db2.gz YUGDGTHDGNCPDU-ZDUSSCGKSA-N 0 0 305.378 2.098 10 30 DEEERN C#CCN(CC#C)C(=O)[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1 ZINC000175714276 622602246 /nfs/dbraw/zinc/60/22/46/622602246.db2.gz KOGGBALELKYEGF-QGZVFWFLSA-N 0 0 322.408 2.060 10 30 DEEERN C=C[C@@](C)(O)CC(=O)NCc1cc(Br)ccc1O ZINC000804735642 623212167 /nfs/dbraw/zinc/21/21/67/623212167.db2.gz CEOSRBKLXDYHPY-CYBMUJFWSA-N 0 0 314.179 2.098 10 30 DEEERN C#CC[C@H](Cc1ccccc1)Nc1nccc(N2CCOCC2)n1 ZINC000804807509 623250865 /nfs/dbraw/zinc/25/08/65/623250865.db2.gz HECWLFNEQPXLQZ-QGZVFWFLSA-N 0 0 322.412 2.360 10 30 DEEERN CNS(=O)(=O)c1cccc(C(=O)/C=C\c2cccnc2C)c1 ZINC000255363973 624194728 /nfs/dbraw/zinc/19/47/28/624194728.db2.gz ZNFVAULEWSUITE-HJWRWDBZSA-N 0 0 316.382 2.194 10 30 DEEERN C[C@@H]1CN(C)C[C@H](c2nnc(C3(c4cccc(C#N)c4)CC3)o2)O1 ZINC000888078874 625059362 /nfs/dbraw/zinc/05/93/62/625059362.db2.gz FCIXMLCCERUOIB-IUODEOHRSA-N 0 0 324.384 2.413 10 30 DEEERN C#CC[C@@H](OC(=O)c1cc(S(C)(=O)=O)cs1)C(C)C ZINC000179507799 625752063 /nfs/dbraw/zinc/75/20/63/625752063.db2.gz BOOZPBKVYCMFPW-LLVKDONJSA-N 0 0 300.401 2.356 10 30 DEEERN CCOC(=O)[C@@H](C)OC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000733460187 633197127 /nfs/dbraw/zinc/19/71/27/633197127.db2.gz JRAMJRIFQVGSOV-DOMZBBRYSA-N 0 0 319.357 2.456 10 30 DEEERN C#CCOc1ccccc1[C@@H](C)OC(=O)c1cccn(C)c1=O ZINC000733697830 633270267 /nfs/dbraw/zinc/27/02/67/633270267.db2.gz LZTUQNLDUDHULL-CYBMUJFWSA-N 0 0 311.337 2.315 10 30 DEEERN C#CCOc1cccc([C@@H](C)OC(=O)COC[C@@H]2CCCO2)c1 ZINC000733698560 633270518 /nfs/dbraw/zinc/27/05/18/633270518.db2.gz YNQJEEXRGVRQRI-PBHICJAKSA-N 0 0 318.369 2.498 10 30 DEEERN CCS(=O)(=O)CC(C)=NNCc1cccc2cccnc21 ZINC000733747564 633281323 /nfs/dbraw/zinc/28/13/23/633281323.db2.gz SXDQHMBSZGPCRN-UHFFFAOYSA-N 0 0 305.403 2.135 10 30 DEEERN C=C(COC(=O)C1(c2ccccc2)CCOCC1)C(=O)OCC ZINC000734027723 633312664 /nfs/dbraw/zinc/31/26/64/633312664.db2.gz WWLJZVLIPNBKLU-UHFFFAOYSA-N 0 0 318.369 2.397 10 30 DEEERN C=C(COC(=O)c1cc2c(C)nn(C)c2s1)C(=O)OCC ZINC000734027088 633312817 /nfs/dbraw/zinc/31/28/17/633312817.db2.gz RWHWFRYTJFOHTO-UHFFFAOYSA-N 0 0 308.359 2.219 10 30 DEEERN C=C(COC(=O)c1cncn1-c1ccc(F)cc1)C(=O)OCC ZINC000734027837 633312943 /nfs/dbraw/zinc/31/29/43/633312943.db2.gz SFXLTQZXAICARY-UHFFFAOYSA-N 0 0 318.304 2.288 10 30 DEEERN C=C(COC(=O)Cc1c[nH]c2ccc(OC)cc12)C(=O)OCC ZINC000734026733 633313065 /nfs/dbraw/zinc/31/30/65/633313065.db2.gz JHCBXYOOCUWNFB-UHFFFAOYSA-N 0 0 317.341 2.382 10 30 DEEERN C=C(COC(=O)CSc1ccc(C#N)cc1)C(=O)OCC ZINC000734030880 633313857 /nfs/dbraw/zinc/31/38/57/633313857.db2.gz ITDXIGAMCNOHHN-UHFFFAOYSA-N 0 0 305.355 2.313 10 30 DEEERN C=C(COC(=O)[C@H]1C[C@@H]1c1cccc(OC)c1)C(=O)OCC ZINC000734033772 633314709 /nfs/dbraw/zinc/31/47/09/633314709.db2.gz WELJAPHHFCUZAM-CABCVRRESA-N 0 0 304.342 2.461 10 30 DEEERN N#C[C@@H](C(=O)CCCOc1ccc(F)cc1)C(=O)N1CCCC1 ZINC000124789778 633416826 /nfs/dbraw/zinc/41/68/26/633416826.db2.gz MRSRVNIHALWQBK-HNNXBMFYSA-N 0 0 318.348 2.316 10 30 DEEERN C=C(C)COC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000734917205 633443457 /nfs/dbraw/zinc/44/34/57/633443457.db2.gz HNEXBKRIWLYLMQ-GOEBONIOSA-N 0 0 303.358 2.334 10 30 DEEERN Cc1cccn2c(=O)c(C(=O)OCC#Cc3ccccc3)cnc12 ZINC000091104830 634325735 /nfs/dbraw/zinc/32/57/35/634325735.db2.gz JLPRHVAHJJDYNM-UHFFFAOYSA-N 0 0 318.332 2.211 10 30 DEEERN C=CCC[C@@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C1CC1 ZINC000159520940 636132683 /nfs/dbraw/zinc/13/26/83/636132683.db2.gz ZXBWKMDMKOABAS-CYBMUJFWSA-N 0 0 320.389 2.139 10 30 DEEERN C=CCN(CC(F)(F)F)S(=O)(=O)c1cccc(C#N)c1 ZINC000060208286 636381044 /nfs/dbraw/zinc/38/10/44/636381044.db2.gz OQIPYLQLZOSNSN-UHFFFAOYSA-N 0 0 304.293 2.297 10 30 DEEERN C#Cc1cccc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1 ZINC000074043312 636650275 /nfs/dbraw/zinc/65/02/75/636650275.db2.gz KRIFXMDEDLQPJH-WMZOPIPTSA-N 0 0 319.364 2.221 10 30 DEEERN C#CCCCOC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000727038810 637593951 /nfs/dbraw/zinc/59/39/51/637593951.db2.gz AYWHLQWTHWQXON-NSHDSACASA-N 0 0 307.296 2.274 10 30 DEEERN CCC1(C)CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 ZINC000742398867 638068410 /nfs/dbraw/zinc/06/84/10/638068410.db2.gz CDTSFNFTKOOIFM-UHFFFAOYSA-N 0 0 307.419 2.222 10 30 DEEERN C#CCCCNC(=O)CCC(=O)c1ccc(OC)c(OC)c1 ZINC000742790452 638096799 /nfs/dbraw/zinc/09/67/99/638096799.db2.gz JZRGHMYBWPDWQW-UHFFFAOYSA-N 0 0 303.358 2.196 10 30 DEEERN CC#CCOC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000744676179 638237200 /nfs/dbraw/zinc/23/72/00/638237200.db2.gz WRJBAEFRHUIQCS-UHFFFAOYSA-N 0 0 306.261 2.160 10 30 DEEERN COc1ccc(CNc2nc(C)nc3c2cnn3C)cc1C#N ZINC000746704740 638371561 /nfs/dbraw/zinc/37/15/61/638371561.db2.gz HHFPIZQZZRPJNZ-UHFFFAOYSA-N 0 0 308.345 2.164 10 30 DEEERN COc1ccc(CNc2c([N+](=O)[O-])c(C)nn2C)cc1C#N ZINC000746711784 638372905 /nfs/dbraw/zinc/37/29/05/638372905.db2.gz WZWAZAYVVLCMLW-UHFFFAOYSA-N 0 0 301.306 2.129 10 30 DEEERN COc1ccc(CNC(=O)CCC2CCOCC2)cc1C#N ZINC000746876593 638383416 /nfs/dbraw/zinc/38/34/16/638383416.db2.gz CDMAZSBUFOLOJT-UHFFFAOYSA-N 0 0 302.374 2.390 10 30 DEEERN COc1ccc(CNC(=O)COc2cccc(C#N)c2)cc1C#N ZINC000746877322 638383976 /nfs/dbraw/zinc/38/39/76/638383976.db2.gz LJTRYQSGSOIPLV-UHFFFAOYSA-N 0 0 321.336 2.134 10 30 DEEERN C#CC[C@H](OC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(C)C ZINC000747193745 638417709 /nfs/dbraw/zinc/41/77/09/638417709.db2.gz GVGSIIUHUQGVGJ-KKUMJFAQSA-N 0 0 319.401 2.143 10 30 DEEERN COc1ccc(CNC(=O)NCCNc2ccccc2)cc1C#N ZINC000747430756 638436785 /nfs/dbraw/zinc/43/67/85/638436785.db2.gz DVQJKNRZOXXGQI-UHFFFAOYSA-N 0 0 324.384 2.478 10 30 DEEERN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@@H](C#N)C(C)C)c1 ZINC000747742983 638472891 /nfs/dbraw/zinc/47/28/91/638472891.db2.gz AKLXIBHYJOSPJI-HNNXBMFYSA-N 0 0 317.345 2.308 10 30 DEEERN C#CCOc1ccccc1CNC(=O)c1ncccc1OCC ZINC000748713342 638586024 /nfs/dbraw/zinc/58/60/24/638586024.db2.gz CLKWZZOLHFMFLM-UHFFFAOYSA-N 0 0 310.353 2.422 10 30 DEEERN Brc1cn2ccnc2c(N=NC2CCCOC2)n1 ZINC000749863410 638688284 /nfs/dbraw/zinc/68/82/84/638688284.db2.gz VWZVRTSUIKKVRF-UHFFFAOYSA-N 0 0 310.155 2.070 10 30 DEEERN C=CCc1cc(C(=O)N=c2[nH][nH]cc2C)cc(OC)c1OC ZINC000341266835 638727762 /nfs/dbraw/zinc/72/77/62/638727762.db2.gz BXLXQBGNXZKMKZ-UHFFFAOYSA-N 0 0 301.346 2.138 10 30 DEEERN C=C(COC(=O)C[C@@H](O)c1ccc(Cl)cc1)C(=O)OCC ZINC000750371810 638737983 /nfs/dbraw/zinc/73/79/83/638737983.db2.gz CNARNBKMIUUDLW-CYBMUJFWSA-N 0 0 312.749 2.426 10 30 DEEERN C=C(COC(=O)c1sc([C@H](C)OC)nc1C)C(=O)OCC ZINC000750449142 638745688 /nfs/dbraw/zinc/74/56/88/638745688.db2.gz SNXMDWQFYPAGLE-JTQLQIEISA-N 0 0 313.375 2.435 10 30 DEEERN CC(=O)N1CCC[C@H]1C(=O)OCC#Cc1ccc(Cl)cc1 ZINC000750879171 639037275 /nfs/dbraw/zinc/03/72/75/639037275.db2.gz VBYWQLPVYOPLPB-HNNXBMFYSA-N 0 0 305.761 2.246 10 30 DEEERN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000750906520 639042440 /nfs/dbraw/zinc/04/24/40/639042440.db2.gz DIOQNPXPOIVCAU-REVBEMBVSA-N 0 0 306.406 2.409 10 30 DEEERN CCOC(=O)[C@@H](CC1CC1)NC(=O)/C=C\c1ccccc1C#N ZINC000752383341 639177259 /nfs/dbraw/zinc/17/72/59/639177259.db2.gz LTCAUVQUYDOZNG-ZBTGYSDGSA-N 0 0 312.369 2.419 10 30 DEEERN CCOC(=O)[C@@H](CC1CC1)NC(=O)c1ccc(C=NOC)cc1 ZINC000752723581 639211813 /nfs/dbraw/zinc/21/18/13/639211813.db2.gz HDPCEAIFNGNJQI-OAHLLOKOSA-N 0 0 318.373 2.129 10 30 DEEERN C#CCCCS(=O)(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000805023696 639229349 /nfs/dbraw/zinc/22/93/49/639229349.db2.gz KKGGGPZIGLGZKD-UHFFFAOYSA-N 0 0 312.460 2.197 10 30 DEEERN C#CCCCS(=O)(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000805031252 639260694 /nfs/dbraw/zinc/26/06/94/639260694.db2.gz YNWRYLBIIUCYOJ-ZENOOKHLSA-N 0 0 307.415 2.272 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N[C@H]2Cc3ccc(Cl)cc3C2)o1 ZINC000805091040 639613797 /nfs/dbraw/zinc/61/37/97/639613797.db2.gz ZNRKUWHOGAHBFR-LBPRGKRZSA-N 0 0 322.773 2.250 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)o1 ZINC000805103324 639697794 /nfs/dbraw/zinc/69/77/94/639697794.db2.gz GGKSKAGYOBAMGH-AWEZNQCLSA-N 0 0 314.366 2.064 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccccc1C(=O)OCC)C(C)(C)C ZINC000805146375 639839194 /nfs/dbraw/zinc/83/91/94/639839194.db2.gz CUWFGZNVSADSHN-AWEZNQCLSA-N 0 0 323.414 2.190 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(C)(C)C ZINC000805147110 639841045 /nfs/dbraw/zinc/84/10/45/639841045.db2.gz SAWNBBQMCMDIIM-ZDUSSCGKSA-N 0 0 310.375 2.229 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1cnc(Cl)c(C)c1)C(C)(C)C ZINC000805147476 639842879 /nfs/dbraw/zinc/84/28/79/639842879.db2.gz YKBABAQPMMBYCP-LLVKDONJSA-N 0 0 300.811 2.370 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1nc(C)no1 ZINC000805186126 640110398 /nfs/dbraw/zinc/11/03/98/640110398.db2.gz ZMHVIXUOBICJGH-SWLSCSKDSA-N 0 0 312.373 2.373 10 30 DEEERN N#Cc1ccc(COC(=O)C(=O)NCCCc2ccccc2)cc1 ZINC000729288894 640437064 /nfs/dbraw/zinc/43/70/64/640437064.db2.gz MBMQMFMQVRMAQF-UHFFFAOYSA-N 0 0 322.364 2.350 10 30 DEEERN CN(C)C(=O)COc1cccc(C(=O)/C=C/c2cocn2)c1 ZINC000191278174 641593114 /nfs/dbraw/zinc/59/31/14/641593114.db2.gz WUMMXMQSXGPWCN-VOTSOKGWSA-N 0 0 300.314 2.038 10 30 DEEERN C=CC[C@@H](NC(=O)C(=O)NCCCCSC)c1ccncc1 ZINC000805810747 643382008 /nfs/dbraw/zinc/38/20/08/643382008.db2.gz JLWUBJYBBAHMRG-CQSZACIVSA-N 0 0 321.446 2.074 10 30 DEEERN C#CC[C@H](OC(=O)CO[C@H](C)c1nccn1C)c1ccccn1 ZINC000805874996 643645299 /nfs/dbraw/zinc/64/52/99/643645299.db2.gz QNHZORTWUXUVJD-HIFRSBDPSA-N 0 0 313.357 2.201 10 30 DEEERN C=COCCOC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000805905454 643783475 /nfs/dbraw/zinc/78/34/75/643783475.db2.gz LMUBKMZDTUCEQA-CYBMUJFWSA-N 0 0 304.321 2.227 10 30 DEEERN C=CCCc1ccccc1NC(=O)N(C)CCS(C)(=O)=O ZINC000800578417 645289600 /nfs/dbraw/zinc/28/96/00/645289600.db2.gz PVNURINAPFHGMW-UHFFFAOYSA-N 0 0 310.419 2.314 10 30 DEEERN C#C[C@H](NC(=O)N1CC[C@@](F)(c2ccccc2)C1)[C@@H]1CCCO1 ZINC000801052296 645335423 /nfs/dbraw/zinc/33/54/23/645335423.db2.gz ZXHXMRLFISVPBO-BQFCYCMXSA-N 0 0 316.376 2.448 10 30 DEEERN C=CCOCCCOC(=O)c1c(C)nn(C)c1Br ZINC000801503415 645406149 /nfs/dbraw/zinc/40/61/49/645406149.db2.gz GQALUYLTZCCFKA-UHFFFAOYSA-N 0 0 317.183 2.241 10 30 DEEERN FC(F)[C@H]1CN(CCOCC(F)(F)C(F)(F)F)CCO1 ZINC000801559128 645414056 /nfs/dbraw/zinc/41/40/56/645414056.db2.gz CYVWBIJGOLYEFB-SSDOTTSWSA-N 0 0 313.213 2.167 10 30 DEEERN C=CCN(C(=O)c1cnc(C(=O)OC(C)(C)C)cn1)C(C)C ZINC000801659340 645427477 /nfs/dbraw/zinc/42/74/77/645427477.db2.gz DNYHPNBIKBKLLR-UHFFFAOYSA-N 0 0 305.378 2.469 10 30 DEEERN C#CCOCCNC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000801690647 645430295 /nfs/dbraw/zinc/43/02/95/645430295.db2.gz HDCCEUJOKMAUQL-CQSZACIVSA-N 0 0 301.386 2.395 10 30 DEEERN C/C(=C\C(=O)OCCO[C@H](C)C#N)c1ccc([N+](=O)[O-])cc1 ZINC000801855632 645451434 /nfs/dbraw/zinc/45/14/34/645451434.db2.gz NHRCKELAVFKENI-LMMOQWNQSA-N 0 0 304.302 2.470 10 30 DEEERN CC(C)(C)OC(=O)c1cnc(C(=O)OC2(C#N)CCC2)cn1 ZINC000802106133 645479592 /nfs/dbraw/zinc/47/95/92/645479592.db2.gz SREDBHQRTPQVAP-UHFFFAOYSA-N 0 0 303.318 2.035 10 30 DEEERN C#C[C@@H](OC(=O)c1cnc(C(=O)OC(C)(C)C)cn1)C1CC1 ZINC000802120849 645481757 /nfs/dbraw/zinc/48/17/57/645481757.db2.gz ISGQBODRCOSRGN-CYBMUJFWSA-N 0 0 302.330 2.001 10 30 DEEERN C#CC(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C ZINC000802130634 645482593 /nfs/dbraw/zinc/48/25/93/645482593.db2.gz VAUFMDFDDRFZFN-UHFFFAOYSA-N 0 0 308.263 2.225 10 30 DEEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1ccncc1 ZINC000803424867 645651139 /nfs/dbraw/zinc/65/11/39/645651139.db2.gz BNZPJMPBHUWEMY-INIZCTEOSA-N 0 0 304.346 2.386 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000803698950 645681515 /nfs/dbraw/zinc/68/15/15/645681515.db2.gz KIISOSFMWMBTDE-GDBMZVCRSA-N 0 0 303.402 2.372 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000803698742 645681720 /nfs/dbraw/zinc/68/17/20/645681720.db2.gz YRGXDOBNYFXZRR-SOUVJXGZSA-N 0 0 303.402 2.085 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000803698431 645681817 /nfs/dbraw/zinc/68/18/17/645681817.db2.gz QQCAYUYDDISJTC-NSHDSACASA-N 0 0 318.760 2.268 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)Nc1ccccc1OC ZINC000803698553 645681821 /nfs/dbraw/zinc/68/18/21/645681821.db2.gz BLLUKNCLMSWMOX-CYBMUJFWSA-N 0 0 313.353 2.228 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1ccc(C(=O)OC)cc1F ZINC000803698419 645681890 /nfs/dbraw/zinc/68/18/90/645681890.db2.gz PUIJEGPIMYXFAM-UHFFFAOYSA-N 0 0 302.301 2.318 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N[C@H](C)c1cccs1 ZINC000803698406 645681902 /nfs/dbraw/zinc/68/19/02/645681902.db2.gz PFESZCCNQFQOGI-GFCCVEGCSA-N 0 0 303.383 2.131 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)c1nnnn1C1CCCCC1 ZINC000803699125 645681915 /nfs/dbraw/zinc/68/19/15/645681915.db2.gz RLOQWBGVBIUVNI-ZDUSSCGKSA-N 0 0 314.389 2.445 10 30 DEEERN CC[C@@](C)(C#N)C(=O)OCc1noc(-c2ccccc2O)n1 ZINC000803781344 645694545 /nfs/dbraw/zinc/69/45/45/645694545.db2.gz BRYKDALOTQEDKT-HNNXBMFYSA-N 0 0 301.302 2.425 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cncnc1OC ZINC000806349347 645821727 /nfs/dbraw/zinc/82/17/27/645821727.db2.gz GDZGAQWOULZWTB-CQSZACIVSA-N 0 0 310.357 2.241 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000806722049 645864390 /nfs/dbraw/zinc/86/43/90/645864390.db2.gz QMMLLKLECHBNFI-HNNXBMFYSA-N 0 0 316.445 2.049 10 30 DEEERN C#CC[C@@H](NC(=O)C1CN(CC(F)(F)F)C1)c1ccccc1 ZINC000807163941 645918445 /nfs/dbraw/zinc/91/84/45/645918445.db2.gz TUZIPSWWXVQJEP-CQSZACIVSA-N 0 0 310.319 2.361 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000807212841 645926190 /nfs/dbraw/zinc/92/61/90/645926190.db2.gz KZRVHIDDAOUSPY-UHFFFAOYSA-N 0 0 324.380 2.025 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C)nc1 ZINC000807339027 645941803 /nfs/dbraw/zinc/94/18/03/645941803.db2.gz QEQYQFUQTSZPSZ-INIZCTEOSA-N 0 0 321.380 2.079 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C[C@@H](C)O)C(C)C ZINC000807468051 645954160 /nfs/dbraw/zinc/95/41/60/645954160.db2.gz NCGYPOHSEYIGMJ-WBVHZDCISA-N 0 0 302.418 2.422 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](O)c1ccco1 ZINC000807467026 645954275 /nfs/dbraw/zinc/95/42/75/645954275.db2.gz JUCAOTILTRLDMU-HOTGVXAUSA-N 0 0 312.369 2.247 10 30 DEEERN C#Cc1cncc(C(=O)N2CC(O)(c3ccc(Cl)cc3)C2)c1 ZINC000807488328 645957776 /nfs/dbraw/zinc/95/77/76/645957776.db2.gz CKKLGSUFLKXHSC-UHFFFAOYSA-N 0 0 312.756 2.060 10 30 DEEERN C=CCN(C(=O)C(=O)N[C@H]1CCCc2nc(C)sc21)C(C)C ZINC000807646316 645974060 /nfs/dbraw/zinc/97/40/60/645974060.db2.gz RJFNYDWEACQUNW-ZDUSSCGKSA-N 0 0 321.446 2.368 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1cc(Br)ccc1O ZINC000807736524 645981924 /nfs/dbraw/zinc/98/19/24/645981924.db2.gz AJHRJISHTGONQC-UHFFFAOYSA-N 0 0 320.186 2.434 10 30 DEEERN COc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1C#N ZINC000746681007 646037832 /nfs/dbraw/zinc/03/78/32/646037832.db2.gz UMYNVUTYTJGLOG-UHFFFAOYSA-N 0 0 320.345 2.184 10 30 DEEERN C=CCOc1ccccc1C(=O)OC[C@H]1CC(=O)N(C2CC2)C1 ZINC000151324168 646335789 /nfs/dbraw/zinc/33/57/89/646335789.db2.gz QVMYYEREZLUYLC-ZDUSSCGKSA-N 0 0 315.369 2.419 10 30 DEEERN C=CCN(CC=C)c1nc(N2CCOCC2)nc2[nH]c(C)cc21 ZINC000223949853 646507619 /nfs/dbraw/zinc/50/76/19/646507619.db2.gz ZRNYEYXSFOJSMW-UHFFFAOYSA-N 0 0 313.405 2.281 10 30 DEEERN C=CCOC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000170710607 646659199 /nfs/dbraw/zinc/65/91/99/646659199.db2.gz WQNHJQSQFLKINA-AWEZNQCLSA-N 0 0 316.382 2.412 10 30 DEEERN C#CCCCNC(=O)[C@@H](NC(=O)c1ccccc1)[C@H](C)CC ZINC000172922710 646754144 /nfs/dbraw/zinc/75/41/44/646754144.db2.gz MEANUPOUMRDHLP-ZBFHGGJFSA-N 0 0 300.402 2.361 10 30 DEEERN C#CCCCNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000172927724 646754837 /nfs/dbraw/zinc/75/48/37/646754837.db2.gz ILPPYHKXQAAAIP-UHFFFAOYSA-N 0 0 319.304 2.123 10 30 DEEERN C#CCCCNC(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000172932902 646754862 /nfs/dbraw/zinc/75/48/62/646754862.db2.gz ATFHCGHHNDTVAR-UHFFFAOYSA-N 0 0 317.408 2.111 10 30 DEEERN C#C[C@@H](C)OC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000151592750 646978761 /nfs/dbraw/zinc/97/87/61/646978761.db2.gz FZHRFKBEZVVEMY-SCZZXKLOSA-N 0 0 312.291 2.474 10 30 DEEERN C#C[C@H](OC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1)C1CC1 ZINC000152798115 647279370 /nfs/dbraw/zinc/27/93/70/647279370.db2.gz FJDVHKDNLOBUET-LVBITLCTSA-N 0 0 303.402 2.369 10 30 DEEERN C=C(C)CCOC(=O)CN1C(=O)NC2(CCC(CC)CC2)C1=O ZINC000174801228 647432412 /nfs/dbraw/zinc/43/24/12/647432412.db2.gz KTOLWPTVDRKGRB-UHFFFAOYSA-N 0 0 322.405 2.387 10 30 DEEERN C[C@@H](NC(=S)N1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000732626045 647632991 /nfs/dbraw/zinc/63/29/91/647632991.db2.gz RMPHUZXKERMFQL-CZUORRHYSA-N 0 0 314.458 2.294 10 30 DEEERN CC(C)(C)c1nc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cs1 ZINC000732647866 647635996 /nfs/dbraw/zinc/63/59/96/647635996.db2.gz LWBWZTVSGJEBRU-LBPRGKRZSA-N 0 0 318.446 2.253 10 30 DEEERN N#C[C@@H]1CN(Cn2cc(-c3ccccc3)cn2)CCN1C1CC1 ZINC000732672752 647640141 /nfs/dbraw/zinc/64/01/41/647640141.db2.gz MHPZCECEDYRLTJ-GOSISDBHSA-N 0 0 307.401 2.180 10 30 DEEERN CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732675335 647640697 /nfs/dbraw/zinc/64/06/97/647640697.db2.gz XRAXKEKNEMNYAE-FVQBIDKESA-N 0 0 304.438 2.337 10 30 DEEERN C[C@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000732700971 647643668 /nfs/dbraw/zinc/64/36/68/647643668.db2.gz NDINUHKZGPMZQD-PBHICJAKSA-N 0 0 312.417 2.172 10 30 DEEERN C[C@@H]1CCCC[C@H]1CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732702503 647643945 /nfs/dbraw/zinc/64/39/45/647643945.db2.gz URCGJSZWNNQYAM-YCPHGPKFSA-N 0 0 304.438 2.194 10 30 DEEERN C#CCCCCCOC(=O)CCc1c(C)nc2ncnn2c1C ZINC000180354541 648487509 /nfs/dbraw/zinc/48/75/09/648487509.db2.gz QDWACDLIWXKMHM-UHFFFAOYSA-N 0 0 314.389 2.411 10 30 DEEERN C#CCC(C)(C)COC(=O)CCS(=O)(=O)C1CCCC1 ZINC000180354898 648487698 /nfs/dbraw/zinc/48/76/98/648487698.db2.gz BWPSLHSGXUXULY-UHFFFAOYSA-N 0 0 300.420 2.327 10 30 DEEERN C#C[C@@H](C)OC(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000180779604 648515189 /nfs/dbraw/zinc/51/51/89/648515189.db2.gz FOCVVHOQQYYFNW-CYBMUJFWSA-N 0 0 304.365 2.146 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)c1c[nH]c2cc(F)ccc21 ZINC000182307315 648870956 /nfs/dbraw/zinc/87/09/56/648870956.db2.gz GHGDMBXIRRJXGB-UHFFFAOYSA-N 0 0 304.321 2.498 10 30 DEEERN C#CCCNC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O ZINC000733247023 649463408 /nfs/dbraw/zinc/46/34/08/649463408.db2.gz HOONUTYAMYLBEP-UHFFFAOYSA-N 0 0 313.353 2.182 10 30 DEEERN C#CCC(C)(C)COC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000185372311 649511959 /nfs/dbraw/zinc/51/19/59/649511959.db2.gz MLSDRLUUXXXUHP-AWEZNQCLSA-N 0 0 303.358 2.456 10 30 DEEERN C#CCN(CC#C)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000072906935 649537944 /nfs/dbraw/zinc/53/79/44/649537944.db2.gz RMMLDHKFIBSPAA-CQSZACIVSA-N 0 0 302.805 2.428 10 30 DEEERN C#CCOc1ccccc1[C@H](C)OC(=O)CNC(=O)CCC ZINC000107059614 651411107 /nfs/dbraw/zinc/41/11/07/651411107.db2.gz FXUWLPKOPDLAAA-ZDUSSCGKSA-N 0 0 303.358 2.219 10 30 DEEERN Cc1ccc(C)c(N2N=C(C(=O)N[C@@H](C#N)C3CC3)CCC2=O)c1 ZINC000108828441 651721068 /nfs/dbraw/zinc/72/10/68/651721068.db2.gz XRQJRHFKHPBPQC-HNNXBMFYSA-N 0 0 324.384 2.205 10 30 DEEERN CCOCCCNC(=O)[C@H](C#N)C(=O)[C@@H](C)CC1CCCC1 ZINC000114617563 651989127 /nfs/dbraw/zinc/98/91/27/651989127.db2.gz RQIHVUMAWRTOKA-DZGCQCFKSA-N 0 0 308.422 2.454 10 30 DEEERN C=C(Br)CNC(=O)[C@H]1CCCN1c1nccs1 ZINC000110665404 652415078 /nfs/dbraw/zinc/41/50/78/652415078.db2.gz QTMKUCMKXYSJBV-SECBINFHSA-N 0 0 316.224 2.137 10 30 DEEERN C=C(Br)CNC(=O)[C@@H]1CCCN1c1nccs1 ZINC000110665400 652415211 /nfs/dbraw/zinc/41/52/11/652415211.db2.gz QTMKUCMKXYSJBV-VIFPVBQESA-N 0 0 316.224 2.137 10 30 DEEERN C=CCN(CC=C)C(=O)COC(=O)c1cccc(NC(C)=O)c1 ZINC000004927485 683832812 /nfs/dbraw/zinc/83/28/12/683832812.db2.gz BPLHESWEYYYVPA-UHFFFAOYSA-N 0 0 316.357 2.002 10 30 DEEERN Cc1cc(C)n([C@@H](C)C(=O)NCc2ccc(OCC#N)cc2)n1 ZINC000075631067 683937477 /nfs/dbraw/zinc/93/74/77/683937477.db2.gz CQZGBZWYFBELHI-AWEZNQCLSA-N 0 0 312.373 2.280 10 30 DEEERN COc1ccc(OC)c(COC(=O)c2cc(C#N)cn2C)c1 ZINC000080944220 683986386 /nfs/dbraw/zinc/98/63/86/683986386.db2.gz YXGFDLWLVQMVGI-UHFFFAOYSA-N 0 0 300.314 2.271 10 30 DEEERN Cn1cc(C#N)cc1C(=O)OCc1nc(-c2ccccc2)no1 ZINC000081153262 683988194 /nfs/dbraw/zinc/98/81/94/683988194.db2.gz FRWSQEMXXUTKLI-UHFFFAOYSA-N 0 0 308.297 2.304 10 30 DEEERN CC[C@@H](C#N)OC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000084708329 684005665 /nfs/dbraw/zinc/00/56/65/684005665.db2.gz PXSKJLRXRNJOLC-GFUIURDCSA-N 0 0 314.345 2.164 10 30 DEEERN C=CCC[C@@H](C)OC(=O)CCNS(=O)(=O)c1ccccc1 ZINC000089319886 684022147 /nfs/dbraw/zinc/02/21/47/684022147.db2.gz DVFDUZZEMSJZSH-CYBMUJFWSA-N 0 0 311.403 2.253 10 30 DEEERN C=CCOc1ccccc1C(=O)OC[C@H]1CC(=O)N(CC)C1 ZINC000123916710 684129574 /nfs/dbraw/zinc/12/95/74/684129574.db2.gz XDZYWQIIYRQWRD-ZDUSSCGKSA-N 0 0 303.358 2.277 10 30 DEEERN C#CCSCCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124659550 684137372 /nfs/dbraw/zinc/13/73/72/684137372.db2.gz UFXGAWKGDCTPPK-UHFFFAOYSA-N 0 0 319.386 2.029 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)O[C@H](C#N)C2CC2)C1 ZINC000125110878 684141780 /nfs/dbraw/zinc/14/17/80/684141780.db2.gz YFMFQKCSUPMIJT-DGCLKSJQSA-N 0 0 308.378 2.479 10 30 DEEERN CC(C)COC(=O)[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000125160734 684142819 /nfs/dbraw/zinc/14/28/19/684142819.db2.gz NDXAIECWXGLVRW-QWHCGFSZSA-N 0 0 318.373 2.029 10 30 DEEERN C[C@@H](C#N)Oc1ccc(CN2CCN(c3cccnn3)CC2)cc1 ZINC000127950914 684167345 /nfs/dbraw/zinc/16/73/45/684167345.db2.gz JZELGHQPBDYMKA-HNNXBMFYSA-N 0 0 323.400 2.090 10 30 DEEERN C=CCOCCCC(=O)OC[C@H]1CCCN1c1ccc(C)nn1 ZINC000130251218 684187111 /nfs/dbraw/zinc/18/71/11/684187111.db2.gz HLNPHLAYLUOGNY-OAHLLOKOSA-N 0 0 319.405 2.280 10 30 DEEERN COc1ccc(CNC(=O)[C@H](C#N)C(=O)CCCSC)cc1 ZINC000131052051 684195864 /nfs/dbraw/zinc/19/58/64/684195864.db2.gz BBAKBIRUSZWCEH-CQSZACIVSA-N 0 0 320.414 2.163 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)[C@@H]1CSCN1C(C)=O ZINC000132613100 684211142 /nfs/dbraw/zinc/21/11/42/684211142.db2.gz AIZKWWSGQFYSEN-HNNXBMFYSA-N 0 0 304.415 2.123 10 30 DEEERN CC(=O)N(CCc1ccccc1)CC(=O)O[C@@H](C#N)C(C)C ZINC000156484764 684289384 /nfs/dbraw/zinc/28/93/84/684289384.db2.gz XUBLSEAIPPSNCN-INIZCTEOSA-N 0 0 302.374 2.169 10 30 DEEERN CCCC[C@H](NC(=O)NCC)C(=O)OCc1ccc(C#N)cc1 ZINC000157302153 684293985 /nfs/dbraw/zinc/29/39/85/684293985.db2.gz DLWAKIYLBOGVPD-HNNXBMFYSA-N 0 0 317.389 2.479 10 30 DEEERN C#CCOc1ccccc1NC(=O)NCc1cccnc1N(C)C ZINC000188127985 684350313 /nfs/dbraw/zinc/35/03/13/684350313.db2.gz ICHPEINNIHTKMJ-UHFFFAOYSA-N 0 0 324.384 2.481 10 30 DEEERN C=CC[C@H](OC(=O)CCC(=O)N1CCOCC1)c1ccccc1 ZINC000189247408 684376503 /nfs/dbraw/zinc/37/65/03/684376503.db2.gz JNZULOYIGNTOTO-INIZCTEOSA-N 0 0 317.385 2.486 10 30 DEEERN C[C@@H](C#N)Oc1ccccc1NC(=O)NCC1(CCO)CC1 ZINC000189321331 684378742 /nfs/dbraw/zinc/37/87/42/684378742.db2.gz GZZVOBPJYSUVLA-LBPRGKRZSA-N 0 0 303.362 2.262 10 30 DEEERN C#CCCCC(=O)OC[C@@H]1CCCN1CC(=O)OC(C)(C)C ZINC000191296562 684425321 /nfs/dbraw/zinc/42/53/21/684425321.db2.gz DGTJFYRLIAFCJV-AWEZNQCLSA-N 0 0 309.406 2.139 10 30 DEEERN C#CCCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000192073156 684441077 /nfs/dbraw/zinc/44/10/77/684441077.db2.gz LHMFZKHZKDLDAT-HUUCEWRRSA-N 0 0 315.417 2.115 10 30 DEEERN C=CCC[C@H](C)OC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000246397700 685129425 /nfs/dbraw/zinc/12/94/25/685129425.db2.gz LKBKICAITUTABP-XUXIUFHCSA-N 0 0 307.390 2.448 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cnn(-c2ccccc2)n1 ZINC000247648641 685151522 /nfs/dbraw/zinc/15/15/22/685151522.db2.gz LRAGBSNRTQPGES-UHFFFAOYSA-N 0 0 310.279 2.458 10 30 DEEERN C#CCN(CC#C)CC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000176357542 782352048 /nfs/dbraw/zinc/35/20/48/782352048.db2.gz NBPLEUQUTMXXOU-UHFFFAOYSA-N 0 0 308.381 2.497 10 30 DEEERN COc1cccc(C#CCOC(=O)c2cnn3ccc(C)nc23)c1 ZINC000176592965 782721231 /nfs/dbraw/zinc/72/12/31/782721231.db2.gz ARSZEFPOHMJZEC-UHFFFAOYSA-N 0 0 321.336 2.255 10 30 DEEERN COC1(C(F)(F)F)CN(c2c(F)c(F)nc(F)c2F)C1 ZINC000724195495 777256724 /nfs/dbraw/zinc/25/67/24/777256724.db2.gz IIJBYQSINRJRBC-UHFFFAOYSA-N 0 0 304.165 2.406 10 30 DEEERN C#CC[C@H](COC)Nc1ncc([N+](=O)[O-])cc1Br ZINC000716327623 792952190 /nfs/dbraw/zinc/95/21/90/792952190.db2.gz DBQRIPKSGXXWAV-MRVPVSSYSA-N 0 0 314.139 2.203 10 30 DEEERN C=CCOc1ccc(CNCc2nnc3n2CCC3)cc1OC ZINC000075758317 1080251462 /nfs/dbraw/zinc/25/14/62/1080251462.db2.gz YORNFHKSPVPBKF-UHFFFAOYSA-N 0 0 314.389 2.088 10 30 DEEERN CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(C#N)c(F)c2)CO1 ZINC000703358529 1086494016 /nfs/dbraw/zinc/49/40/16/1086494016.db2.gz TWXFZHUCFWSXQK-CYBMUJFWSA-N 0 0 321.352 2.338 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccnc2ccnn21 ZINC000076640213 185028475 /nfs/dbraw/zinc/02/84/75/185028475.db2.gz AYELQDJFRGVSID-LLVKDONJSA-N 0 0 307.313 2.007 10 30 DEEERN C=CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](CO)C[C@H]1C ZINC000624825827 365562864 /nfs/dbraw/zinc/56/28/64/365562864.db2.gz ACIYEKPKYBCYLQ-RBSFLKMASA-N 0 0 320.437 2.303 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)CC(=O)c1ccccc1 ZINC000612311254 361788703 /nfs/dbraw/zinc/78/87/03/361788703.db2.gz QEHKURORNJKQIO-BBRMVZONSA-N 0 0 316.401 2.235 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC(C)(C)[C@@H]1CCCCO1 ZINC000612321467 361792344 /nfs/dbraw/zinc/79/23/44/361792344.db2.gz SWYPVDYOJYKCJU-CABCVRRESA-N 0 0 310.438 2.169 10 30 DEEERN C=CC[C@H](C)NS(=O)(=O)CCSc1cccc(N)c1 ZINC000162486456 197569948 /nfs/dbraw/zinc/56/99/48/197569948.db2.gz MXUKINGPDXRBKX-NSHDSACASA-N 0 0 300.449 2.245 10 30 DEEERN C=CCCS(=O)(=O)N1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000278475998 214178932 /nfs/dbraw/zinc/17/89/32/214178932.db2.gz DVEYGWBFKKGFFW-OAHLLOKOSA-N 0 0 323.462 2.342 10 30 DEEERN C=CCN(CCc1ccco1)S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000625112929 365646826 /nfs/dbraw/zinc/64/68/26/365646826.db2.gz JOCLDVYXDRGGCA-AWEZNQCLSA-N 0 0 313.419 2.207 10 30 DEEERN C#CCCCCC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000278520866 214209720 /nfs/dbraw/zinc/20/97/20/214209720.db2.gz ZAMZGPMTGFZZRU-HNNXBMFYSA-N 0 0 302.422 2.007 10 30 DEEERN C=CCCCNS(=O)(=O)C[C@H](OC)c1ccc(F)cc1 ZINC000625168188 365668770 /nfs/dbraw/zinc/66/87/70/365668770.db2.gz JMGKSQXTNTYMBB-AWEZNQCLSA-N 0 0 301.383 2.399 10 30 DEEERN N#Cc1nccn1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000152188649 282136967 /nfs/dbraw/zinc/13/69/67/282136967.db2.gz BCYOGWAHIOKOJP-UHFFFAOYSA-N 0 0 306.325 2.326 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCOC2(C1)CCCCCC2 ZINC000612472262 361837414 /nfs/dbraw/zinc/83/74/14/361837414.db2.gz NRLNALLWXJTXBU-INIZCTEOSA-N 0 0 322.449 2.409 10 30 DEEERN CN(Cc1cccc(C#CCO)c1)C(=O)[C@@]1(C)CCCS1 ZINC000164884917 197666205 /nfs/dbraw/zinc/66/62/05/197666205.db2.gz VBJAMRJZEVXRPG-QGZVFWFLSA-N 0 0 303.427 2.275 10 30 DEEERN CC(C)c1nnsc1C(=O)Nc1cccc(C#CCO)c1 ZINC000087443173 185225199 /nfs/dbraw/zinc/22/51/99/185225199.db2.gz GRPIRHQLWZOWDI-UHFFFAOYSA-N 0 0 301.371 2.258 10 30 DEEERN O=C(c1ccc(C#Cc2cccc(F)c2)nc1)N1CCC(O)CC1 ZINC000096933575 185392869 /nfs/dbraw/zinc/39/28/69/185392869.db2.gz ZKKOJUZGUBLAJQ-UHFFFAOYSA-N 0 0 324.355 2.217 10 30 in-vitro DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000613268924 362064171 /nfs/dbraw/zinc/06/41/71/362064171.db2.gz CDUCVCRYACSFRJ-HNNXBMFYSA-N 0 0 301.390 2.088 10 30 DEEERN C=CCOCCCNS(=O)(=O)CCc1c(F)cccc1F ZINC000625279189 365712238 /nfs/dbraw/zinc/71/22/38/365712238.db2.gz FTBUZFXUTLKAEU-UHFFFAOYSA-N 0 0 319.373 2.019 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC000625351621 365742520 /nfs/dbraw/zinc/74/25/20/365742520.db2.gz WQSNJZVTFIKUCM-ZDUSSCGKSA-N 0 0 306.431 2.266 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)CCCC2CCOCC2)C1 ZINC000625354654 365743918 /nfs/dbraw/zinc/74/39/18/365743918.db2.gz KHOCIQYZUYGRRW-OAHLLOKOSA-N 0 0 301.452 2.421 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC000625355942 365744653 /nfs/dbraw/zinc/74/46/53/365744653.db2.gz WZGCFWLFIAIXKA-SECBINFHSA-N 0 0 323.340 2.026 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)c1cc(OC)cc(OC)c1 ZINC000613844483 362229582 /nfs/dbraw/zinc/22/95/82/362229582.db2.gz ATVHFUJKYIPROT-INIZCTEOSA-N 0 0 320.389 2.138 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCc2cc(C)ccc2C1 ZINC000613915516 362244577 /nfs/dbraw/zinc/24/45/77/362244577.db2.gz DFELHEYIZCBMSX-KRWDZBQOSA-N 0 0 300.402 2.351 10 30 DEEERN N#Cc1ccccc1C=CC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181393220 199289718 /nfs/dbraw/zinc/28/97/18/199289718.db2.gz XHBUSKOMOKRRBB-XVJNWHFHSA-N 0 0 307.357 2.443 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(NS(=O)(=O)NC)cc1 ZINC000614352447 362358431 /nfs/dbraw/zinc/35/84/31/362358431.db2.gz DGHBCPUZEKESLK-NSHDSACASA-N 0 0 311.407 2.104 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(NS(=O)(=O)NC)cc1 ZINC000614352446 362358820 /nfs/dbraw/zinc/35/88/20/362358820.db2.gz DGHBCPUZEKESLK-LLVKDONJSA-N 0 0 311.407 2.104 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000615006913 362509503 /nfs/dbraw/zinc/50/95/03/362509503.db2.gz ADKVLYXITBYCDJ-UHFFFAOYSA-N 0 0 318.373 2.145 10 30 DEEERN N#Cc1ccc(CNC(=O)N2CCc3ncsc3C2)c(F)c1 ZINC000615061647 362523556 /nfs/dbraw/zinc/52/35/56/362523556.db2.gz KTVQLTPPPCVTAX-UHFFFAOYSA-N 0 0 316.361 2.422 10 30 DEEERN O=C(NCc1cc(F)ccc1F)c1ccc(C#CCO)s1 ZINC000111407242 185592708 /nfs/dbraw/zinc/59/27/08/185592708.db2.gz AEGBSTMLQWJXEH-UHFFFAOYSA-N 0 0 307.321 2.300 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCOCC2(CCCC2)C1 ZINC000625609606 365847988 /nfs/dbraw/zinc/84/79/88/365847988.db2.gz FMNRLIOAYRGLDC-UHFFFAOYSA-N 0 0 322.449 2.124 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1cncc(Br)c1C ZINC000616102815 362772244 /nfs/dbraw/zinc/77/22/44/362772244.db2.gz ZDURXYZPNKIUSQ-JTQLQIEISA-N 0 0 313.195 2.209 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000272639834 210043736 /nfs/dbraw/zinc/04/37/36/210043736.db2.gz LLSKWZWAPPLMJU-KBPBESRZSA-N 0 0 320.414 2.115 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000277624145 213641743 /nfs/dbraw/zinc/64/17/43/213641743.db2.gz IUWWXEYMDYAETB-UHFFFAOYSA-N 0 0 309.369 2.208 10 30 DEEERN C=C(Br)CN1CCC[C@H]1C(=O)Nc1nccs1 ZINC000121500615 185809890 /nfs/dbraw/zinc/80/98/90/185809890.db2.gz OPRDNVQDDVMMDK-VIFPVBQESA-N 0 0 316.224 2.455 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C#N)cc1Cl ZINC000126532148 185871681 /nfs/dbraw/zinc/87/16/81/185871681.db2.gz DZNSQCRJNLGVQM-NSHDSACASA-N 0 0 309.778 2.278 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)C1(C(=O)N(C)C)CC1 ZINC000413991621 404468535 /nfs/dbraw/zinc/46/85/35/404468535.db2.gz WEEFMTKXUMPETF-OAHLLOKOSA-N 0 0 300.402 2.158 10 30 DEEERN CS(=O)(=O)CCn1nc(-c2ccccc2)c(C#N)c1Cl ZINC000070121749 190859471 /nfs/dbraw/zinc/85/94/71/190859471.db2.gz RCWUBQHAORUVAH-UHFFFAOYSA-N 0 0 309.778 2.120 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC000616701438 362913697 /nfs/dbraw/zinc/91/36/97/362913697.db2.gz CYQAHCPNLNPHMB-HZPDHXFCSA-N 0 0 308.422 2.017 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1Cc2ccc(OC)cc2C1 ZINC000616708469 362916808 /nfs/dbraw/zinc/91/68/08/362916808.db2.gz VNSNNOFIJYFUKZ-MRXNPFEDSA-N 0 0 302.374 2.008 10 30 DEEERN C=CCN(Cc1cccc2cnccc21)[C@H]1CCS(=O)(=O)C1 ZINC000183154618 539659317 /nfs/dbraw/zinc/65/93/17/539659317.db2.gz FVTZWJDLMXXCJI-INIZCTEOSA-N 0 0 316.426 2.410 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1nnc(/C=C/c2ccco2)s1 ZINC000183423442 539662683 /nfs/dbraw/zinc/66/26/83/539662683.db2.gz UJIZXTWJDZMKBJ-VQCYPWCPSA-N 0 0 320.374 2.360 10 30 DEEERN C[C@@H]1SCCN(C(=O)c2sccc2C#CCCO)[C@H]1C ZINC000133641778 186002348 /nfs/dbraw/zinc/00/23/48/186002348.db2.gz KOZALLBVAYZGEC-RYUDHWBXSA-N 0 0 309.456 2.448 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NN1[C@@H](C)CCC[C@@H]1C ZINC000147791846 186041742 /nfs/dbraw/zinc/04/17/42/186041742.db2.gz UUHGJQRJEXJIRH-STQMWFEESA-N 0 0 307.419 2.323 10 30 DEEERN C[C@H]1CCC[C@H](C)N1NS(=O)(=O)c1cccc(F)c1C#N ZINC000147790091 186041834 /nfs/dbraw/zinc/04/18/34/186041834.db2.gz HUUZRLAIKYSLIA-QWRGUYRKSA-N 0 0 311.382 2.154 10 30 DEEERN CCOc1ccc(N)c([S@](=O)Cc2cccnc2C#N)c1 ZINC000149615511 186051918 /nfs/dbraw/zinc/05/19/18/186051918.db2.gz RLFIUASMCDYXJI-NRFANRHFSA-N 0 0 301.371 2.242 10 30 DEEERN C[C@@H]1CCC[C@H](C)N1NC(=O)c1sccc1C#CCCO ZINC000149855595 186053181 /nfs/dbraw/zinc/05/31/81/186053181.db2.gz ABQFRSUNKCIDBW-BETUJISGSA-N 0 0 306.431 2.390 10 30 DEEERN COc1ccc(CS(=O)(=O)c2cccc(N)c2)cc1C#N ZINC000150207939 186055446 /nfs/dbraw/zinc/05/54/46/186055446.db2.gz GWAJIQLAGFMOPR-UHFFFAOYSA-N 0 0 302.355 2.123 10 30 DEEERN C=CCOCCCC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000173299710 186173759 /nfs/dbraw/zinc/17/37/59/186173759.db2.gz UMKDMACUBIZIFX-INIZCTEOSA-N 0 0 316.401 2.233 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)CC(C)C ZINC000617037966 363006801 /nfs/dbraw/zinc/00/68/01/363006801.db2.gz TUHADKJWPOPMCJ-ZIAGYGMSSA-N 0 0 301.452 2.308 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)COc1ccc(C(N)=O)cc1 ZINC000617037450 363006802 /nfs/dbraw/zinc/00/68/02/363006802.db2.gz NFJRNCSMIAYYAN-XJKSGUPXSA-N 0 0 316.401 2.415 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CSc1nnnn1C1CC1 ZINC000617037232 363006904 /nfs/dbraw/zinc/00/69/04/363006904.db2.gz JVNUTCPVQIWIQF-DGCLKSJQSA-N 0 0 321.450 2.351 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CC1(CS(C)(=O)=O)CC1 ZINC000617039447 363007023 /nfs/dbraw/zinc/00/70/23/363007023.db2.gz HMYPLQJUJFSKDP-KGLIPLIRSA-N 0 0 313.463 2.452 10 30 DEEERN N#Cc1ccc(CNC(=O)N[C@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000171751343 197979745 /nfs/dbraw/zinc/97/97/45/197979745.db2.gz RDECQRMDYMIVNP-DLBZAZTESA-N 0 0 307.353 2.016 10 30 DEEERN C=CCSCCNC(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000595490077 358462957 /nfs/dbraw/zinc/46/29/57/358462957.db2.gz CPQOXULCPOTZRN-SNVBAGLBSA-N 0 0 312.357 2.268 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000172347232 198083960 /nfs/dbraw/zinc/08/39/60/198083960.db2.gz IXVVLJJFVOARJK-UHFFFAOYSA-N 0 0 302.374 2.375 10 30 DEEERN C#CCOc1ccc(F)cc1NCc1nnc(C2CC2)n1C ZINC000172923950 198168408 /nfs/dbraw/zinc/16/84/08/198168408.db2.gz WPHUBORVJKXSLM-UHFFFAOYSA-N 0 0 300.337 2.456 10 30 DEEERN C[C@H](C[C@@H]1CCCO1)NC(=O)N[C@@H]1CCCc2c1cnn2C ZINC000328714466 539909864 /nfs/dbraw/zinc/90/98/64/539909864.db2.gz DCROUDURPJMVBK-MBNYWOFBSA-N 0 0 306.410 2.259 10 30 DEEERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328733336 539909872 /nfs/dbraw/zinc/90/98/72/539909872.db2.gz JOXYRLWJTCFHGM-KKOKHZNYSA-N 0 0 322.327 2.121 10 30 DEEERN O=C(NCc1cn2c(n1)CCCC2)N(C[C@H]1CCOC1)C1CC1 ZINC000328794534 539911291 /nfs/dbraw/zinc/91/12/91/539911291.db2.gz SOROXDYLBFXNOB-CYBMUJFWSA-N 0 0 318.421 2.134 10 30 DEEERN O=C(N[C@@H]1CCOc2ccccc21)N1CCc2cncnc2C1 ZINC000329282863 539916878 /nfs/dbraw/zinc/91/68/78/539916878.db2.gz NCSSKOCLUQDBJJ-CQSZACIVSA-N 0 0 310.357 2.273 10 30 DEEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)NC[C@@H]1CCCO1)C2 ZINC000329288271 539917339 /nfs/dbraw/zinc/91/73/39/539917339.db2.gz PXYXWBUCYVEDPH-STQMWFEESA-N 0 0 320.437 2.178 10 30 DEEERN N#CC1(c2nc(-c3ccc4c(c3)CC(=O)N4)no2)CCOCC1 ZINC000329568531 539923287 /nfs/dbraw/zinc/92/32/87/539923287.db2.gz PMFLEKUVQYWQQU-UHFFFAOYSA-N 0 0 310.313 2.452 10 30 DEEERN CCc1nnc(CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)s1 ZINC000329706189 539927370 /nfs/dbraw/zinc/92/73/70/539927370.db2.gz JTNROWJEXVVWLU-XHDPSFHLSA-N 0 0 324.450 2.142 10 30 DEEERN C=CCOCCCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000595521608 358473295 /nfs/dbraw/zinc/47/32/95/358473295.db2.gz FUHYZGFLQJYKOK-UHFFFAOYSA-N 0 0 307.350 2.029 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N(C)C[C@H]1CCCO1 ZINC000173784043 198251186 /nfs/dbraw/zinc/25/11/86/198251186.db2.gz OWVDCQQLZVLAGW-CYBMUJFWSA-N 0 0 306.337 2.480 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N1CCN(C2CC2)CC1 ZINC000173792872 198252720 /nfs/dbraw/zinc/25/27/20/198252720.db2.gz AXCPUFFPDQHPRX-UHFFFAOYSA-N 0 0 317.364 2.150 10 30 DEEERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cccc(C#N)c2)C1 ZINC000174887389 198397945 /nfs/dbraw/zinc/39/79/45/198397945.db2.gz GNZUFVHEZUWLMR-CQSZACIVSA-N 0 0 300.358 2.362 10 30 DEEERN COC(=O)[C@H]1C[C@@H]2C[C@@H](OS(=O)(=O)c3ccc(C)cc3)[C@H]1C2 ZINC000004321997 181098265 /nfs/dbraw/zinc/09/82/65/181098265.db2.gz TZTQRSNAEGJCTL-UQOMUDLDSA-N 0 0 324.398 2.288 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000626362037 366162066 /nfs/dbraw/zinc/16/20/66/366162066.db2.gz YYIHJCIXMMLQRO-SMDDNHRTSA-N 0 0 311.328 2.387 10 30 DEEERN C=CCOCCNC(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000626404210 366175137 /nfs/dbraw/zinc/17/51/37/366175137.db2.gz WCNKOWPUNQLPBX-SNVBAGLBSA-N 0 0 317.311 2.098 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1ccc(C)c(C)c1 ZINC000618165943 363401108 /nfs/dbraw/zinc/40/11/08/363401108.db2.gz OEMRBVKDDVVNOT-QGZVFWFLSA-N 0 0 302.418 2.433 10 30 DEEERN C=CCC1(NC(=O)c2ccc(-n3cncn3)cc2)CCOCC1 ZINC000618245713 363430234 /nfs/dbraw/zinc/43/02/34/363430234.db2.gz GOBPICKPTQAESG-UHFFFAOYSA-N 0 0 312.373 2.122 10 30 DEEERN N#C[C@H]1CN(C(=O)N[C@@H]2CCCc3cc(F)ccc32)CCO1 ZINC000119100703 283067672 /nfs/dbraw/zinc/06/76/72/283067672.db2.gz FJDHEWVMCNHXFL-DZGCQCFKSA-N 0 0 303.337 2.137 10 30 DEEERN C=CCCCN(C)C(=O)[C@H](NC(=O)c1ccccn1)C(C)C ZINC000076490902 355151958 /nfs/dbraw/zinc/15/19/58/355151958.db2.gz VJFHZWVJTKXKKA-OAHLLOKOSA-N 0 0 303.406 2.261 10 30 DEEERN C=CCCCN(C)C(=O)[C@H](C)NC(=O)c1[nH]nc2ccccc21 ZINC000077108166 355182963 /nfs/dbraw/zinc/18/29/63/355182963.db2.gz PGBVWXNBNRUFMX-LBPRGKRZSA-N 0 0 314.389 2.106 10 30 DEEERN N#Cc1cc(F)ccc1CN1CCCC[C@@H]1CN1CCOCC1 ZINC000109821391 283097954 /nfs/dbraw/zinc/09/79/54/283097954.db2.gz LILSFTAKHVANEI-GOSISDBHSA-N 0 0 317.408 2.384 10 30 DEEERN CS(=O)(=O)OCc1cc(F)c(Br)cc1F ZINC000114718274 355764017 /nfs/dbraw/zinc/76/40/17/355764017.db2.gz IFJARDWSVVEZFZ-UHFFFAOYSA-N 0 0 301.108 2.204 10 30 DEEERN CCNC(=O)c1c[nH]c2ncc(Oc3ccc(C#N)cc3)nc12 ZINC000115986143 355772399 /nfs/dbraw/zinc/77/23/99/355772399.db2.gz CWYPWCMEWYYPNN-UHFFFAOYSA-N 0 0 307.313 2.372 10 30 DEEERN N#CC1(C(=O)NCCc2csc(N3CCCC3)n2)CCC1 ZINC000134959196 355863626 /nfs/dbraw/zinc/86/36/26/355863626.db2.gz WZVQQQSXCVWFSA-UHFFFAOYSA-N 0 0 304.419 2.096 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000128636811 355829726 /nfs/dbraw/zinc/82/97/26/355829726.db2.gz UTZRICVPBGPMJC-KBPBESRZSA-N 0 0 314.385 2.353 10 30 DEEERN COC(=O)[C@H](C)CN(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180396980 356050315 /nfs/dbraw/zinc/05/03/15/356050315.db2.gz GFXUIKBIXWUJTJ-GFCCVEGCSA-N 0 0 300.358 2.123 10 30 DEEERN CC(C)N(CC#N)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000080214380 192012511 /nfs/dbraw/zinc/01/25/11/192012511.db2.gz JCFWCNRWQRGPKH-UHFFFAOYSA-N 0 0 317.754 2.171 10 30 DEEERN Cc1ccc(NC(=O)Cc2noc(-c3ccnc(C#N)c3)n2)cc1 ZINC000193138958 356223017 /nfs/dbraw/zinc/22/30/17/356223017.db2.gz SQWWLIARSHDQJH-UHFFFAOYSA-N 0 0 319.324 2.493 10 30 DEEERN C#C[C@H](NN)c1cc(Br)sc1Br ZINC000236204021 356289457 /nfs/dbraw/zinc/28/94/57/356289457.db2.gz BLWQKVJPFWEDSY-YFKPBYRVSA-N 0 0 310.014 2.411 10 30 DEEERN COc1ccc(I)c(OC)c1CC#N ZINC000306592754 356404522 /nfs/dbraw/zinc/40/45/22/356404522.db2.gz IJGCGEPEFLGQHG-UHFFFAOYSA-N 0 0 303.099 2.374 10 30 DEEERN COC(=O)c1c(C#N)ccc(F)c1I ZINC000306594312 356404628 /nfs/dbraw/zinc/40/46/28/356404628.db2.gz FNLZELOCDAEEEJ-UHFFFAOYSA-N 0 0 305.046 2.089 10 30 DEEERN O=C[C@H]1CC[C@@H](c2ncc(I)s2)O1 ZINC000306972592 356406559 /nfs/dbraw/zinc/40/65/59/356406559.db2.gz WFHRFBDBYAEOCM-RITPCOANSA-N 0 0 309.128 2.167 10 30 DEEERN N#Cc1ccc(N2CCN3CCOC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000371804022 283162999 /nfs/dbraw/zinc/16/29/99/283162999.db2.gz UDLYYJMSIKJLOU-LBPRGKRZSA-N 0 0 311.307 2.098 10 30 DEEERN CCOc1ccc(N2CC[C@H](n3ccc(NC(C)=O)n3)C2)nn1 ZINC000328614741 356460922 /nfs/dbraw/zinc/46/09/22/356460922.db2.gz WUTZZOKPQWSKLY-LBPRGKRZSA-N 0 0 316.365 2.131 10 30 DEEERN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)NC2CC=CC2)C1 ZINC000328629712 356464147 /nfs/dbraw/zinc/46/41/47/356464147.db2.gz PCDVSKCDWYQLHB-CQSZACIVSA-N 0 0 316.405 2.233 10 30 DEEERN COc1ccc(CNC(=O)NCc2ccc(C#N)cc2F)nc1 ZINC000618377166 363474877 /nfs/dbraw/zinc/47/48/77/363474877.db2.gz BAYASXWGMIFTFA-UHFFFAOYSA-N 0 0 314.320 2.100 10 30 DEEERN C=CCCOCCCCc1nc(CC(=O)N2CCCC2)no1 ZINC000350712137 356561263 /nfs/dbraw/zinc/56/12/63/356561263.db2.gz QYHZRXLTQFCAKC-UHFFFAOYSA-N 0 0 307.394 2.150 10 30 DEEERN C[C@H]1CN(C(=O)c2cc(C#N)cn2C)C[C@@H](c2ccccc2)O1 ZINC000081714263 192316482 /nfs/dbraw/zinc/31/64/82/192316482.db2.gz HBHOBIIQJYBJKN-GUYCJALGSA-N 0 0 309.369 2.499 10 30 DEEERN C=CCOCCCNC(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000618514942 363512734 /nfs/dbraw/zinc/51/27/34/363512734.db2.gz QGTFJLREELIQTG-GFCCVEGCSA-N 0 0 324.808 2.167 10 30 DEEERN C=CCOCCCNC(=O)c1ccc2[nH]c(=O)n(C3CC3)c2c1 ZINC000618514898 363512743 /nfs/dbraw/zinc/51/27/43/363512743.db2.gz PAGDRXXEBXFOAT-UHFFFAOYSA-N 0 0 315.373 2.399 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(OC)c(OC)c1OC ZINC000618515121 363512764 /nfs/dbraw/zinc/51/27/64/363512764.db2.gz SOISKENTNWLSLA-UHFFFAOYSA-N 0 0 309.362 2.035 10 30 DEEERN C=CCOCCCNC(=O)c1cncc(Br)c1C ZINC000618515483 363512903 /nfs/dbraw/zinc/51/29/03/363512903.db2.gz CQUMQSRSZKUHER-UHFFFAOYSA-N 0 0 313.195 2.475 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(C(=O)N(CC)CC)cc1 ZINC000618522663 363514926 /nfs/dbraw/zinc/51/49/26/363514926.db2.gz PEVDTDAIAIAUHS-UHFFFAOYSA-N 0 0 318.417 2.491 10 30 DEEERN C=CCOCCCNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C ZINC000618522686 363514954 /nfs/dbraw/zinc/51/49/54/363514954.db2.gz QBHKIXWRMZJDRH-CQSZACIVSA-N 0 0 310.438 2.123 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(C(=O)NC(C)C)cc1 ZINC000618526980 363517541 /nfs/dbraw/zinc/51/75/41/363517541.db2.gz XFXBIMFEOJHYBC-UHFFFAOYSA-N 0 0 304.390 2.147 10 30 DEEERN C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc(C#N)cc1N ZINC000085916707 192539643 /nfs/dbraw/zinc/53/96/43/192539643.db2.gz PLNKNRGENHRUBN-RISCZKNCSA-N 0 0 307.419 2.340 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000578881477 356886566 /nfs/dbraw/zinc/88/65/66/356886566.db2.gz SSCHEXPCYXVBLS-JOCHJYFZSA-N 0 0 322.430 2.225 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1cc(F)cc(OC)c1 ZINC000579494926 356986228 /nfs/dbraw/zinc/98/62/28/356986228.db2.gz GJRDKLPRGUEKGL-UHFFFAOYSA-N 0 0 322.380 2.313 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000579346364 356960539 /nfs/dbraw/zinc/96/05/39/356960539.db2.gz POGVPZHUSGWBHC-GVRJEKJASA-N 0 0 320.433 2.224 10 30 DEEERN C[C@@]1(C(=O)NCC2(C#N)CC2)CCCN1C(=O)c1ccccc1 ZINC000579791681 357029941 /nfs/dbraw/zinc/02/99/41/357029941.db2.gz AWSGTRVDTASSSP-KRWDZBQOSA-N 0 0 311.385 2.101 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000581200526 357147927 /nfs/dbraw/zinc/14/79/27/357147927.db2.gz QIMMQSXNCKENOG-UHFFFAOYSA-N 0 0 305.334 2.396 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CCCCC[C@H]1C ZINC000581411738 357182347 /nfs/dbraw/zinc/18/23/47/357182347.db2.gz UCTFLZROSHAAMD-GFCCVEGCSA-N 0 0 315.425 2.337 10 30 DEEERN C=CCC[C@H](NCc1cn2cccc(F)c2n1)C(=O)OCC ZINC000590661522 357574861 /nfs/dbraw/zinc/57/48/61/357574861.db2.gz ITGBQZOAZFFCHQ-AWEZNQCLSA-N 0 0 305.353 2.461 10 30 DEEERN COC(=O)C1CCC(C(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000179459824 199039470 /nfs/dbraw/zinc/03/94/70/199039470.db2.gz JJYDBKAHVRIZAV-UHFFFAOYSA-N 0 0 314.385 2.496 10 30 DEEERN C=CCCn1cc(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)nn1 ZINC000594460141 358277368 /nfs/dbraw/zinc/27/73/68/358277368.db2.gz PADFDPNGGIOGCB-UHFFFAOYSA-N 0 0 312.333 2.469 10 30 DEEERN C=CCCn1cc(CSCCCS(=O)(=O)C(C)C)nn1 ZINC000594565274 358295118 /nfs/dbraw/zinc/29/51/18/358295118.db2.gz VZWNMAPBTJOSQF-UHFFFAOYSA-N 0 0 317.480 2.301 10 30 DEEERN C=CC[C@@H]1CCCN(S(=O)(=O)c2cnc(C)c(C#N)c2)C1 ZINC000594821492 358344176 /nfs/dbraw/zinc/34/41/76/358344176.db2.gz IOQGRLWLFDLCQL-CYBMUJFWSA-N 0 0 305.403 2.239 10 30 DEEERN C[C@@]1(C#N)CCN(S(=O)(=O)CCCOCc2ccccc2)C1 ZINC000595371707 358434090 /nfs/dbraw/zinc/43/40/90/358434090.db2.gz LJECSCCOARVCJD-INIZCTEOSA-N 0 0 322.430 2.159 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(C(=O)OC)c(F)c1 ZINC000597390320 358906716 /nfs/dbraw/zinc/90/67/16/358906716.db2.gz NFXKDJCDKYAQHR-AWEZNQCLSA-N 0 0 322.336 2.022 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(C(=O)OC)oc1C ZINC000597609528 358961856 /nfs/dbraw/zinc/96/18/56/358961856.db2.gz KCQKMUASGOIRLE-BXUZGUMPSA-N 0 0 307.346 2.086 10 30 DEEERN CC#CCCCC(=O)N1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000597927319 359044637 /nfs/dbraw/zinc/04/46/37/359044637.db2.gz DVWJBCLUMZZOLZ-NEPJUHHUSA-N 0 0 319.323 2.380 10 30 DEEERN C=CCC[C@@H](NC(=O)C[C@@H](C)n1ccc(C)n1)C(=O)OCC ZINC000597733030 358993129 /nfs/dbraw/zinc/99/31/29/358993129.db2.gz PEJWVUWKFOJKPR-ZIAGYGMSSA-N 0 0 307.394 2.157 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(C)nc2onc(C(C)C)c21 ZINC000185742401 199883835 /nfs/dbraw/zinc/88/38/35/199883835.db2.gz ZCGVKGQFGQBAMJ-NSHDSACASA-N 0 0 303.362 2.321 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@H](C(=O)OC)c1cccc(OC)c1 ZINC000598031247 359070374 /nfs/dbraw/zinc/07/03/74/359070374.db2.gz WRUJCCFEPAATNF-WFASDCNBSA-N 0 0 321.373 2.007 10 30 DEEERN C=CCC1(NC(=O)c2cc([N+](=O)[O-])cnc2C)CCOCC1 ZINC000598179440 359114518 /nfs/dbraw/zinc/11/45/18/359114518.db2.gz ZQBCUYFELAPBKK-UHFFFAOYSA-N 0 0 305.334 2.153 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000185895930 199902112 /nfs/dbraw/zinc/90/21/12/199902112.db2.gz MNKHXQFXKVWVJW-MRXNPFEDSA-N 0 0 301.386 2.191 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000598423328 359194388 /nfs/dbraw/zinc/19/43/88/359194388.db2.gz NTJZQGJWRAYQMF-BETUJISGSA-N 0 0 304.350 2.199 10 30 DEEERN C=CCOCCCC(=O)Nc1cccc2c1CCN(C)C2=O ZINC000618899348 363629356 /nfs/dbraw/zinc/62/93/56/363629356.db2.gz RKVMBZZBETWIEC-UHFFFAOYSA-N 0 0 302.374 2.236 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000186149932 199921469 /nfs/dbraw/zinc/92/14/69/199921469.db2.gz WYDHQZLXHGXIIK-OLZOCXBDSA-N 0 0 324.446 2.456 10 30 DEEERN C=CCCCN(C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598897225 359353025 /nfs/dbraw/zinc/35/30/25/359353025.db2.gz BFHPXGBSAAOOAH-UHFFFAOYSA-N 0 0 320.349 2.141 10 30 DEEERN C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC2(C1)CCCO2 ZINC000599209134 359434043 /nfs/dbraw/zinc/43/40/43/359434043.db2.gz IGZDSSCDFFYSDU-UHFFFAOYSA-N 0 0 321.384 2.372 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000599360445 359477224 /nfs/dbraw/zinc/47/72/24/359477224.db2.gz NBZDXZGFHOXWTN-UHFFFAOYSA-N 0 0 315.391 2.255 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1ccsc1C(=O)OC ZINC000599361699 359477259 /nfs/dbraw/zinc/47/72/59/359477259.db2.gz XDLZJBXOHWTBKG-UHFFFAOYSA-N 0 0 317.432 2.415 10 30 DEEERN C=CC[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000599526468 359516471 /nfs/dbraw/zinc/51/64/71/359516471.db2.gz MHPBGFUUVKKGOA-OAHLLOKOSA-N 0 0 304.415 2.230 10 30 DEEERN C=CCN(CC=C)C(=O)CN[C@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000599561185 359527591 /nfs/dbraw/zinc/52/75/91/359527591.db2.gz NBQQGDORBJVEFZ-GOSISDBHSA-N 0 0 322.449 2.289 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(C)c(C(=O)OC)o1 ZINC000599882318 359616344 /nfs/dbraw/zinc/61/63/44/359616344.db2.gz IDYIUDZMYPAZDH-DGCLKSJQSA-N 0 0 307.346 2.086 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000600212837 359691344 /nfs/dbraw/zinc/69/13/44/359691344.db2.gz KAABEIUNKITENF-JTQLQIEISA-N 0 0 304.302 2.362 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000600284229 359712790 /nfs/dbraw/zinc/71/27/90/359712790.db2.gz HYQDMSYVNQRWEO-IGCXYCKISA-N 0 0 309.406 2.206 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000627685846 366591401 /nfs/dbraw/zinc/59/14/01/366591401.db2.gz JEXZGLNHGLYTNV-UHFFFAOYSA-N 0 0 314.385 2.473 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc2c(c1)ncn2C ZINC000627686912 366591426 /nfs/dbraw/zinc/59/14/26/366591426.db2.gz JKVAAVKKVXIERQ-UHFFFAOYSA-N 0 0 314.389 2.230 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2ccc(C(=O)OCC)cc2)C1=O ZINC000600948432 359868038 /nfs/dbraw/zinc/86/80/38/359868038.db2.gz TVZONPLMDNBXGJ-ZDUSSCGKSA-N 0 0 302.330 2.254 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)C1CCN(OC)CC1 ZINC000601020330 359897032 /nfs/dbraw/zinc/89/70/32/359897032.db2.gz YUTXJHLFLQWMQW-UHFFFAOYSA-N 0 0 313.401 2.346 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccnn2[C@H](C)C2CC2)C1 ZINC000627733882 366603681 /nfs/dbraw/zinc/60/36/81/366603681.db2.gz GRCJKKHHGOYSHH-OLZOCXBDSA-N 0 0 316.405 2.217 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccn3cc(C)nc3c2)C1 ZINC000627733002 366603693 /nfs/dbraw/zinc/60/36/93/366603693.db2.gz IWZGKGCWMHWDBW-ZDUSSCGKSA-N 0 0 312.373 2.006 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(OC)c2)C1 ZINC000627734496 366604387 /nfs/dbraw/zinc/60/43/87/366604387.db2.gz VCFDNDAWFKGDGD-NSHDSACASA-N 0 0 306.337 2.197 10 30 DEEERN C=CCn1cc(CNC(=O)c2cc(C3CC3)[nH]c2C2CC2)nn1 ZINC000627830585 366635695 /nfs/dbraw/zinc/63/56/95/366635695.db2.gz BQSUNUDDZCWQDZ-UHFFFAOYSA-N 0 0 311.389 2.477 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCc1ccc(OC)c(F)c1)C(=O)OC ZINC000601779229 360144473 /nfs/dbraw/zinc/14/44/73/360144473.db2.gz RYEMJLDPLDXHPJ-CQSZACIVSA-N 0 0 323.364 2.391 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H]1CCC(=O)c2ccccc21)C(=O)OC ZINC000601781071 360145971 /nfs/dbraw/zinc/14/59/71/360145971.db2.gz GVNKOSBXNUHFDC-LSDHHAIUSA-N 0 0 315.369 2.371 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(CCCCC)n[nH]1)C(=O)OC ZINC000601783616 360147541 /nfs/dbraw/zinc/14/75/41/360147541.db2.gz CIGWNRNKFPQLPR-AWEZNQCLSA-N 0 0 307.394 2.380 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)c1ccc2c(c1)OCO2)C(=O)OC ZINC000601783237 360147625 /nfs/dbraw/zinc/14/76/25/360147625.db2.gz VODTYLWGJRFYPJ-WCQYABFASA-N 0 0 319.357 2.143 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cnn(CCCC)c1C)C(=O)OC ZINC000601783583 360148012 /nfs/dbraw/zinc/14/80/12/360148012.db2.gz XUEHOZPOGNYRKD-CQSZACIVSA-N 0 0 307.394 2.229 10 30 DEEERN C=C(C)C[C@@H](NC(=O)COCc1ccccc1C)C(=O)OC ZINC000601784513 360148082 /nfs/dbraw/zinc/14/80/82/360148082.db2.gz JNLRGADNMXIINL-OAHLLOKOSA-N 0 0 305.374 2.136 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ncc2cc(Cl)ccn21)C(=O)OC ZINC000601785508 360148457 /nfs/dbraw/zinc/14/84/57/360148457.db2.gz SAAVBHOUWOJHAH-GFCCVEGCSA-N 0 0 321.764 2.225 10 30 DEEERN C=C(C)C[C@@H](NC(=O)C1CCC(C(C)(C)O)CC1)C(=O)OC ZINC000601785126 360148495 /nfs/dbraw/zinc/14/84/95/360148495.db2.gz PRQCSIHKOPSGMW-JXQTWKCFSA-N 0 0 311.422 2.188 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cnn([C@H](C)CC)c1C)C(=O)OC ZINC000601786693 360149745 /nfs/dbraw/zinc/14/97/45/360149745.db2.gz HUFUZCXHVFBSED-RISCZKNCSA-N 0 0 307.394 2.400 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(C)n([C@H](C)CC)n1)C(=O)OC ZINC000601786903 360149760 /nfs/dbraw/zinc/14/97/60/360149760.db2.gz JJSYQJUTBZKGPY-RISCZKNCSA-N 0 0 307.394 2.400 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cc1cccc2cnccc21)C(=O)OC ZINC000601789660 360151433 /nfs/dbraw/zinc/15/14/33/360151433.db2.gz VNIVVIVJEUQWJN-MRXNPFEDSA-N 0 0 312.369 2.401 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000602375543 360352042 /nfs/dbraw/zinc/35/20/42/360352042.db2.gz CASCIPNGKLUQKT-NSHDSACASA-N 0 0 318.329 2.404 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000602231184 360318748 /nfs/dbraw/zinc/31/87/48/360318748.db2.gz ODGSKXUORGLBBY-CYBMUJFWSA-N 0 0 313.401 2.454 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000602244601 360321858 /nfs/dbraw/zinc/32/18/58/360321858.db2.gz JNMVKNAUFRZZDP-UHFFFAOYSA-N 0 0 317.364 2.032 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000602377043 360352888 /nfs/dbraw/zinc/35/28/88/360352888.db2.gz MZSISUUWCCHLCA-SNVBAGLBSA-N 0 0 304.302 2.362 10 30 DEEERN CC#CC[C@H](CO)NC(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000627976970 366681499 /nfs/dbraw/zinc/68/14/99/366681499.db2.gz DEORXQQCGKTUQH-DMRZNYOFSA-N 0 0 303.789 2.116 10 30 DEEERN N#Cc1cc(NC(=O)C(=O)N2CCC23CCC3)ccc1Cl ZINC000441530588 238026250 /nfs/dbraw/zinc/02/62/50/238026250.db2.gz RJZRXEVCCOWUOD-UHFFFAOYSA-N 0 0 303.749 2.305 10 30 DEEERN C=CCOc1ccc(C(=O)N2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC000603105797 360702677 /nfs/dbraw/zinc/70/26/77/360702677.db2.gz NQCJRNOVFPXYCA-HUUCEWRRSA-N 0 0 313.401 2.310 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)COCc2ccc(OC)nc2)C1 ZINC000628062600 366707259 /nfs/dbraw/zinc/70/72/59/366707259.db2.gz LIQKCJQQMFMYJM-CQSZACIVSA-N 0 0 304.390 2.422 10 30 DEEERN COCCCN(Cc1ccncc1)C(=O)c1ccnc(C#N)c1 ZINC000193182111 201003187 /nfs/dbraw/zinc/00/31/87/201003187.db2.gz PSLNVUMMJFLCBI-UHFFFAOYSA-N 0 0 310.357 2.027 10 30 DEEERN CC(=O)N1CCC(Nc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000609668926 361334096 /nfs/dbraw/zinc/33/40/96/361334096.db2.gz CCFWFEPUAKNKED-UHFFFAOYSA-N 0 0 312.295 2.395 10 30 DEEERN C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)C[C@H](C2CC2)O1 ZINC000619363116 363773446 /nfs/dbraw/zinc/77/34/46/363773446.db2.gz UOKSPJIEAMUGDO-BDJLRTHQSA-N 0 0 317.364 2.406 10 30 DEEERN Oc1ccc(Br)cc1C=NNc1n[nH]c(=S)[nH]1 ZINC000006329118 181330502 /nfs/dbraw/zinc/33/05/02/181330502.db2.gz QIQPGFQUHNDMCE-NYYWCZLTSA-N 0 0 314.168 2.381 10 30 DEEERN C=CCSCCNC(=O)c1nnn(C2CC2)c1C(F)(F)F ZINC000610396616 361393407 /nfs/dbraw/zinc/39/34/07/361393407.db2.gz BBQQXTQJDXDUKW-UHFFFAOYSA-N 0 0 320.340 2.281 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1sc(S(N)(=O)=O)cc1C ZINC000628316964 366807462 /nfs/dbraw/zinc/80/74/62/366807462.db2.gz QXGAFLJOYWDYJE-UHFFFAOYSA-N 0 0 316.448 2.036 10 30 DEEERN C=CC(C)(C)CCNC(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000628316778 366807555 /nfs/dbraw/zinc/80/75/55/366807555.db2.gz JGXUBHBNJULBSU-UHFFFAOYSA-N 0 0 313.401 2.459 10 30 DEEERN C=CC(C)(C)CCNC(=O)CCc1nc(-c2ncccn2)no1 ZINC000628316969 366807695 /nfs/dbraw/zinc/80/76/95/366807695.db2.gz RCNBSFHGNCUYKA-UHFFFAOYSA-N 0 0 315.377 2.178 10 30 DEEERN Cc1cccc(NC(=O)C(=O)NC[C@H](C)c2ccncc2)c1C#N ZINC000610537821 361418410 /nfs/dbraw/zinc/41/84/10/361418410.db2.gz GTHYGUYJWGMKHI-ZDUSSCGKSA-N 0 0 322.368 2.120 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](C)c1ccncc1 ZINC000610905014 361489827 /nfs/dbraw/zinc/48/98/27/361489827.db2.gz WRUFOKSMNBWSRY-GFCCVEGCSA-N 0 0 322.368 2.120 10 30 DEEERN C[C@H]1C[C@@H](CNC(=O)NCc2ccc(C#N)cc2F)CCO1 ZINC000611294472 361573600 /nfs/dbraw/zinc/57/36/00/361573600.db2.gz ZSXKFWAQUSQMTG-AAEUAGOBSA-N 0 0 305.353 2.312 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)Nc1cccc(C(=O)OC)c1C ZINC000611385631 361589004 /nfs/dbraw/zinc/58/90/04/361589004.db2.gz WVWKMRSBQPEKEA-GFCCVEGCSA-N 0 0 306.362 2.088 10 30 DEEERN C=CCOCCNC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000611544980 361627252 /nfs/dbraw/zinc/62/72/52/361627252.db2.gz HSDGVHJSPOBCOV-MRXNPFEDSA-N 0 0 302.374 2.280 10 30 DEEERN COC[C@](C)(NCC(=O)Nc1cccc(C#N)c1)C(F)(F)F ZINC000611717276 361667213 /nfs/dbraw/zinc/66/72/13/361667213.db2.gz BSEDQSMCGOHMBP-ZDUSSCGKSA-N 0 0 315.295 2.054 10 30 DEEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC(CC#N)CC1 ZINC000611678476 361656178 /nfs/dbraw/zinc/65/61/78/361656178.db2.gz GNRJCMLVFPYTHB-KRWDZBQOSA-N 0 0 319.405 2.400 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ncc(C(C)(C)C)o1 ZINC000611783695 361680724 /nfs/dbraw/zinc/68/07/24/361680724.db2.gz AQQWBKRLTNKMKI-GFCCVEGCSA-N 0 0 307.394 2.059 10 30 DEEERN C=C[C@@H](NCCN1CCc2c(Cl)cccc2C1)C(=O)OC ZINC000619704041 363861450 /nfs/dbraw/zinc/86/14/50/363861450.db2.gz UHPWVIRXYZCIDP-OAHLLOKOSA-N 0 0 308.809 2.015 10 30 DEEERN C=C[C@@H](C(=O)OC)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000619719737 363864512 /nfs/dbraw/zinc/86/45/12/363864512.db2.gz ACAYVNVJQMIRKO-BBRMVZONSA-N 0 0 306.381 2.232 10 30 DEEERN CCOC(=O)C[C@@]1([C@@H]2CO2)CCCN(C(=O)OC(C)(C)C)C1 ZINC000675053545 541285818 /nfs/dbraw/zinc/28/58/18/541285818.db2.gz OLFRZCGZRHWFGF-LRDDRELGSA-N 0 0 313.394 2.356 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCS(=O)(=O)C1CCCC1 ZINC000620312749 364014302 /nfs/dbraw/zinc/01/43/02/364014302.db2.gz KKUKFGOHYLVXSB-OKILXGFUSA-N 0 0 311.447 2.444 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2c(c1)NC(=O)CS2 ZINC000620306298 364014382 /nfs/dbraw/zinc/01/43/82/364014382.db2.gz CQOMYKBQDGPHKV-TXEJJXNPSA-N 0 0 315.398 2.449 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1cccc(F)c1 ZINC000620317560 364015442 /nfs/dbraw/zinc/01/54/42/364015442.db2.gz VPULQXQZXBFJMY-GASCZTMLSA-N 0 0 302.349 2.265 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000620135859 363968175 /nfs/dbraw/zinc/96/81/75/363968175.db2.gz DAZBQWHSRMTOGU-ZIAGYGMSSA-N 0 0 317.385 2.369 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1S(C)(=O)=O ZINC000620303663 364012848 /nfs/dbraw/zinc/01/28/48/364012848.db2.gz ZFYRANWIBFNNEW-GASCZTMLSA-N 0 0 319.426 2.342 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCOc2ccc(O)cc2C1)OCC ZINC000620344795 364021165 /nfs/dbraw/zinc/02/11/65/364021165.db2.gz ULKVRDOCWKKROK-MRXNPFEDSA-N 0 0 305.374 2.485 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NC3CC(C)(C)C3)cc2C1=O ZINC000620745925 364139457 /nfs/dbraw/zinc/13/94/57/364139457.db2.gz ZHRZBTVUROQZOH-UHFFFAOYSA-N 0 0 312.369 2.387 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000620809132 364166078 /nfs/dbraw/zinc/16/60/78/364166078.db2.gz LLYAXIYHOHWLLI-KKOKHZNYSA-N 0 0 307.312 2.146 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CN2c3ccccc3O[C@H](C)C2=O)C1 ZINC000628484064 366863992 /nfs/dbraw/zinc/86/39/92/366863992.db2.gz CYYQWBOOXIVMSU-KGLIPLIRSA-N 0 0 314.385 2.225 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CNC(=O)CCc2ccc(C)cc2)C1 ZINC000628486572 366864115 /nfs/dbraw/zinc/86/41/15/366864115.db2.gz LJWPKAALHDZBQV-QGZVFWFLSA-N 0 0 314.429 2.468 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000628487730 366864935 /nfs/dbraw/zinc/86/49/35/366864935.db2.gz LFLFOBUKNYZEMU-AWEZNQCLSA-N 0 0 309.369 2.480 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)C1 ZINC000628487242 366865222 /nfs/dbraw/zinc/86/52/22/366865222.db2.gz AOAKFRIYMAUISG-NSHDSACASA-N 0 0 317.780 2.354 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CNC(=O)c2cc(F)cc(F)c2)C1 ZINC000628491100 366865521 /nfs/dbraw/zinc/86/55/21/366865521.db2.gz OYTDJHKLUNAZBP-NSHDSACASA-N 0 0 308.328 2.119 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC000622801851 364800151 /nfs/dbraw/zinc/80/01/51/364800151.db2.gz KLTAMJWRFGBCOX-MSOLQXFVSA-N 0 0 314.429 2.473 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C)c2cc(F)ccc21 ZINC000622816784 364802534 /nfs/dbraw/zinc/80/25/34/364802534.db2.gz NIUSVSBXDRGWMR-CQSZACIVSA-N 0 0 319.380 2.079 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC2(CCCC2)OC[C@@H]1C ZINC000622969567 364844934 /nfs/dbraw/zinc/84/49/34/364844934.db2.gz MAMMHRUXGUMZJV-ZFWWWQNUSA-N 0 0 308.422 2.017 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000623340018 364992145 /nfs/dbraw/zinc/99/21/45/364992145.db2.gz TWRNYKLZWXNTJP-KGLIPLIRSA-N 0 0 302.374 2.434 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000623472532 365042886 /nfs/dbraw/zinc/04/28/86/365042886.db2.gz SAKHUNUYABJZTP-STQMWFEESA-N 0 0 319.371 2.478 10 30 DEEERN C=C[C@H](C)NC(=O)NC[C@@H]1CCN1Cc1ccc(OC)cc1 ZINC000623746421 365160184 /nfs/dbraw/zinc/16/01/84/365160184.db2.gz DMBJHPALPJYUKZ-ZFWWWQNUSA-N 0 0 303.406 2.143 10 30 DEEERN CCOC(=O)/C(Br)=C/C#CCO[C@@H]1CCCCO1 ZINC000091252168 193026783 /nfs/dbraw/zinc/02/67/83/193026783.db2.gz DCUOLTWSYZMYPQ-RDQDRAATSA-N 0 0 317.179 2.375 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](OCC)[C@H]2n2cccn2)C1 ZINC000624133262 365301075 /nfs/dbraw/zinc/30/10/75/365301075.db2.gz KDFOCZRMNPDGHR-FPCVCCKLSA-N 0 0 318.421 2.209 10 30 DEEERN CSC1(C#N)CCN(C(=O)[C@H]2COc3ccccc32)CC1 ZINC000091475409 193061339 /nfs/dbraw/zinc/06/13/39/193061339.db2.gz YZCKLPJBYLQIGB-ZDUSSCGKSA-N 0 0 302.399 2.410 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2ccc(CNC(C)=O)cc2)C1 ZINC000624330787 365384172 /nfs/dbraw/zinc/38/41/72/365384172.db2.gz FIGMXVWVNMJIOY-KRWDZBQOSA-N 0 0 315.417 2.430 10 30 DEEERN CC1CCN(C(=O)N(C)Cc2cc(C#CCO)cs2)CC1 ZINC000091992336 193138443 /nfs/dbraw/zinc/13/84/43/193138443.db2.gz HGTXCWFNBBNQCY-UHFFFAOYSA-N 0 0 306.431 2.376 10 30 DEEERN C[C@@H]1CCCN(C(=O)NCc2cc(C#CCCO)cs2)C1 ZINC000091992364 193138582 /nfs/dbraw/zinc/13/85/82/193138582.db2.gz DWQBGMWPZGYTCU-CYBMUJFWSA-N 0 0 306.431 2.424 10 30 DEEERN C=C[C@](C)(O)CC(=O)N[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000628769556 366964387 /nfs/dbraw/zinc/96/43/87/366964387.db2.gz MJBNXVANZLPHTK-HOCLYGCPSA-N 0 0 303.337 2.082 10 30 DEEERN C[C@H](NC(=O)c1ccc(C#N)n1C)c1nc(C(C)(C)C)no1 ZINC000449996971 241336922 /nfs/dbraw/zinc/33/69/22/241336922.db2.gz RSVDRAZEEDSVIN-VIFPVBQESA-N 0 0 301.350 2.068 10 30 DEEERN C=CCC1(C(=O)N[C@H]2CCO[C@H]2c2nc(C)no2)CCCC1 ZINC000629785040 367335142 /nfs/dbraw/zinc/33/51/42/367335142.db2.gz WYBPOXZZXZQIAJ-QWHCGFSZSA-N 0 0 305.378 2.461 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](c2ccc(O)cc2)C1 ZINC000629654128 367287045 /nfs/dbraw/zinc/28/70/45/367287045.db2.gz BKGRNDUUSRTRLP-RDJZCZTQSA-N 0 0 316.401 2.179 10 30 DEEERN C=CCOCCCC(=O)NC1(c2cc(C)no2)CCOCC1 ZINC000629728264 367316474 /nfs/dbraw/zinc/31/64/74/367316474.db2.gz YQNJQPBFQWRERB-UHFFFAOYSA-N 0 0 308.378 2.088 10 30 DEEERN Cc1ccc(NS(=O)(=O)c2ccc(CC#N)cc2)c(N)c1 ZINC000092130571 193166307 /nfs/dbraw/zinc/16/63/07/193166307.db2.gz PELKGJDKQLEOGD-UHFFFAOYSA-N 0 0 301.371 2.444 10 30 DEEERN C=C1CC(C)(C(=O)NCC(=O)Nc2ccc(OCC)cc2)C1 ZINC000630829205 367867395 /nfs/dbraw/zinc/86/73/95/367867395.db2.gz LIKUXFKOLFVJQK-UHFFFAOYSA-N 0 0 302.374 2.496 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCc2ccc(OC)c(F)c2)C1=O ZINC000630973880 367945345 /nfs/dbraw/zinc/94/53/45/367945345.db2.gz SIRKBLGOUKHDRS-CYBMUJFWSA-N 0 0 306.337 2.263 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2COc3ccc(F)cc3C2)C1=O ZINC000630980856 367948751 /nfs/dbraw/zinc/94/87/51/367948751.db2.gz CHQYGUYKQNLOPT-QWHCGFSZSA-N 0 0 304.321 2.016 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCc2cn3c(cccc3C)n2)C1=O ZINC000630986164 367952361 /nfs/dbraw/zinc/95/23/61/367952361.db2.gz MRCIGDQMISFABG-CQSZACIVSA-N 0 0 312.373 2.072 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000451507609 243049194 /nfs/dbraw/zinc/04/91/94/243049194.db2.gz LXGBKTBBJBORPZ-AOIWGVFYSA-N 0 0 315.413 2.130 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(c2ccccc2F)CC1 ZINC000451715875 243348911 /nfs/dbraw/zinc/34/89/11/243348911.db2.gz XRPHQZWEOSZQQB-PBHICJAKSA-N 0 0 318.392 2.456 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CC3(C2)CCCOC3)cc1 ZINC000451779832 243455374 /nfs/dbraw/zinc/45/53/74/243455374.db2.gz LARFXPUAMVYJCO-UHFFFAOYSA-N 0 0 301.386 2.433 10 30 DEEERN C=CCC1(C(=O)N2C[C@H](C(=O)OCC)C3(COC3)C2)CCCC1 ZINC000452228729 244069948 /nfs/dbraw/zinc/06/99/48/244069948.db2.gz VTGKMMDYTVPEPF-CQSZACIVSA-N 0 0 321.417 2.161 10 30 DEEERN CC[C@H](C)CN(CC)S(=O)(=O)c1ccccc1C#CCO ZINC000093265088 193222729 /nfs/dbraw/zinc/22/27/29/193222729.db2.gz ZQDJRNBYBPJXKN-AWEZNQCLSA-N 0 0 309.431 2.087 10 30 DEEERN COCc1cc(NC(=O)N(CCC#N)CCC(C)C)ncn1 ZINC000093312429 193229023 /nfs/dbraw/zinc/22/90/23/193229023.db2.gz NVWWQBVPZDJCAN-UHFFFAOYSA-N 0 0 305.382 2.417 10 30 DEEERN CN(Cc1cnc2ccc(C#N)cn12)[C@@H]1CCCc2c1cnn2C ZINC000093863925 193319710 /nfs/dbraw/zinc/31/97/10/193319710.db2.gz JSOIFXHTEBEBSC-MRXNPFEDSA-N 0 0 320.400 2.449 10 30 DEEERN C[C@H](NC(=O)c1csc(C#CCCO)c1)c1nccs1 ZINC000093975321 193333320 /nfs/dbraw/zinc/33/33/20/193333320.db2.gz XZFYALVZQICOOE-JTQLQIEISA-N 0 0 306.412 2.430 10 30 DEEERN Cc1cc(C(=O)N2C[C@@H](C)OC[C@@H]2C)sc1C#CCCO ZINC000094533970 193377766 /nfs/dbraw/zinc/37/77/66/193377766.db2.gz ZKIAAHUHMVYTCI-QWHCGFSZSA-N 0 0 307.415 2.040 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(C#N)c(F)c1 ZINC000192217618 284207451 /nfs/dbraw/zinc/20/74/51/284207451.db2.gz WEAUVSKAINTZST-FMKPAKJESA-N 0 0 302.349 2.471 10 30 DEEERN CNC(=O)c1ccccc1C#CCNC(=O)c1ccccc1C ZINC000096348570 193615185 /nfs/dbraw/zinc/61/51/85/193615185.db2.gz BZRGXSDSXAOXML-UHFFFAOYSA-N 0 0 306.365 2.136 10 30 DEEERN C=CCn1c(C)nnc1N(C)C1CCN(CC(F)(F)F)CC1 ZINC000453432148 245136248 /nfs/dbraw/zinc/13/62/48/245136248.db2.gz FRLYSVNNPQKTRA-UHFFFAOYSA-N 0 0 317.359 2.235 10 30 DEEERN Cc1nc(NC(=O)C(=O)N[C@@H]2CCC23CCCC3)ccc1C#N ZINC000453716203 245262023 /nfs/dbraw/zinc/26/20/23/245262023.db2.gz ATGQBWAVSMXCIW-CYBMUJFWSA-N 0 0 312.373 2.039 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@H](CC)[C@H](C)O ZINC000453934978 245359348 /nfs/dbraw/zinc/35/93/48/245359348.db2.gz CWKZNYMLAAIVED-GXTWGEPZSA-N 0 0 304.390 2.019 10 30 DEEERN CCOC(=O)CCN(CCC#N)C(=O)/C=C/c1ccccc1 ZINC000096560892 193679286 /nfs/dbraw/zinc/67/92/86/193679286.db2.gz BGNLMTNURCWYQM-MDZDMXLPSA-N 0 0 300.358 2.395 10 30 DEEERN O=C(Cc1ccc(Br)cc1)N1CCC(=NO)CC1 ZINC000019473035 182124711 /nfs/dbraw/zinc/12/47/11/182124711.db2.gz GCXSFTMHWQWVTA-UHFFFAOYSA-N 0 0 311.179 2.444 10 30 DEEERN C=CC[C@@H]([NH3+])C(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000160151350 197389890 /nfs/dbraw/zinc/38/98/90/197389890.db2.gz FEBLLCDFAYNZOB-SNVBAGLBSA-N 0 0 302.252 2.246 10 30 DEEERN Cc1ccncc1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000456190512 246996590 /nfs/dbraw/zinc/99/65/90/246996590.db2.gz NHXWIUAHNJQYMF-KRWDZBQOSA-N 0 0 317.389 2.268 10 30 DEEERN C#CCNC(=O)c1nnc(N2CCC(C)CC2)c2ccccc21 ZINC000034837952 182740595 /nfs/dbraw/zinc/74/05/95/182740595.db2.gz JNTKBJVLMDKIOF-UHFFFAOYSA-N 0 0 308.385 2.229 10 30 DEEERN CC#CCCCC(=O)N[C@@H](CC(=O)OCC)c1ccncc1 ZINC000456896394 247487952 /nfs/dbraw/zinc/48/79/52/247487952.db2.gz CKHDTVAZOZKJQD-HNNXBMFYSA-N 0 0 302.374 2.386 10 30 DEEERN C=CCN(C(=O)c1c2n(c(=O)n1C)CCCC2)c1ccccc1 ZINC000459929911 248685217 /nfs/dbraw/zinc/68/52/17/248685217.db2.gz JMXZFGYKNNJHDR-UHFFFAOYSA-N 0 0 311.385 2.356 10 30 DEEERN C=C(C)COCCNC(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000489571486 248844862 /nfs/dbraw/zinc/84/48/62/248844862.db2.gz XWAGZTVKCNCAPE-UHFFFAOYSA-N 0 0 315.373 2.253 10 30 DEEERN N#Cc1cccc(NC(=O)C(=O)N[C@H]2CCCC(F)(F)C2)c1 ZINC000492109475 249000046 /nfs/dbraw/zinc/00/00/46/249000046.db2.gz RXTKWJJQVYDAMO-LBPRGKRZSA-N 0 0 307.300 2.191 10 30 DEEERN C[C@@H](CN(C)C(=O)c1cc(Cl)cc(Cl)c1)/C(N)=N/O ZINC000042458771 183272621 /nfs/dbraw/zinc/27/26/21/183272621.db2.gz ATSNUOQTSAKCKA-ZETCQYMHSA-N 0 0 304.177 2.448 10 30 DEEERN CN(CCC#N)S(=O)(=O)c1sccc1Br ZINC000042524358 183280061 /nfs/dbraw/zinc/28/00/61/183280061.db2.gz FOHWRDBAAAEZQM-UHFFFAOYSA-N 0 0 309.210 2.045 10 30 DEEERN NC(=O)c1ccc(OCc2cc(C#CCCO)cs2)cc1 ZINC000043699219 183381762 /nfs/dbraw/zinc/38/17/62/183381762.db2.gz DUKOCWINLPZEGW-UHFFFAOYSA-N 0 0 301.367 2.160 10 30 DEEERN CC(C)CN(CCC#N)S(=O)(=O)c1cccc([C@@H](C)O)c1 ZINC000043423107 183361944 /nfs/dbraw/zinc/36/19/44/183361944.db2.gz ZCOGCZQZSHARIN-CYBMUJFWSA-N 0 0 310.419 2.300 10 30 DEEERN CC(=O)Nc1nc(CC(=O)Nc2ccc(C#N)cc2)cs1 ZINC000044174812 183397271 /nfs/dbraw/zinc/39/72/71/183397271.db2.gz HPMQLKPVKHCRRW-UHFFFAOYSA-N 0 0 300.343 2.154 10 30 DEEERN Cc1noc([C@H]2CN(c3cc(Cl)ccc3C#N)CCN2C)n1 ZINC000284582033 218087544 /nfs/dbraw/zinc/08/75/44/218087544.db2.gz PPVWKFULGJPBIL-CQSZACIVSA-N 0 0 317.780 2.396 10 30 DEEERN CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)c1ncccc1C#N ZINC000284772349 218171308 /nfs/dbraw/zinc/17/13/08/218171308.db2.gz ZNARROGGNKCNRR-ROUUACIJSA-N 0 0 322.412 2.461 10 30 DEEERN C=CC[C@H](CO)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273887591 211145487 /nfs/dbraw/zinc/14/54/87/211145487.db2.gz UQGXQBSNMCICRR-SNVBAGLBSA-N 0 0 310.325 2.065 10 30 DEEERN C=CCOc1ccc(/C=C2/NC(=S)N(CC)C2=O)cc1OC ZINC000105200134 194083973 /nfs/dbraw/zinc/08/39/73/194083973.db2.gz ADXLJUQSBOTAIN-FMIVXFBMSA-N 0 0 318.398 2.338 10 30 DEEERN Cc1ccc(N2CCCN(Cc3ccccc3C#N)CC2)nn1 ZINC000105800799 194132301 /nfs/dbraw/zinc/13/23/01/194132301.db2.gz ZNJYTTQQPNYKHJ-UHFFFAOYSA-N 0 0 307.401 2.369 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@H](c2ccco2)c2ccccc2)CCO1 ZINC000106329509 194197374 /nfs/dbraw/zinc/19/73/74/194197374.db2.gz HALASNXXPOHAPE-ZBFHGGJFSA-N 0 0 311.341 2.303 10 30 DEEERN Cc1cc(C#N)nc(N2CCC[C@H](OCC(F)(F)F)C2)n1 ZINC000552952733 291729183 /nfs/dbraw/zinc/72/91/83/291729183.db2.gz QWWUQYQWKWWOFQ-NSHDSACASA-N 0 0 300.284 2.204 10 30 DEEERN C#CCOC[C@H]1CCCN(C(=O)c2cc(OC)cc(OC)c2)C1 ZINC000056923038 184021760 /nfs/dbraw/zinc/02/17/60/184021760.db2.gz UPFBEVAKIBZDIW-AWEZNQCLSA-N 0 0 317.385 2.206 10 30 DEEERN C#CCOC[C@H]1CCCN(C(=O)c2ccc(OC)cc2OC)C1 ZINC000056923032 184021821 /nfs/dbraw/zinc/02/18/21/184021821.db2.gz JBQADORQJVXURK-AWEZNQCLSA-N 0 0 317.385 2.206 10 30 DEEERN CCCCCC#C[C@@](C)(O)C[NH2+][C@H](CSCC)C(=O)[O-] ZINC000059409720 184138362 /nfs/dbraw/zinc/13/83/62/184138362.db2.gz FOXPWAMMPYFZLF-UKRRQHHQSA-N 0 0 301.452 2.117 10 30 DEEERN CC(C)CCCNS(=O)(=O)c1ccccc1C#CCCO ZINC000062096553 184206069 /nfs/dbraw/zinc/20/60/69/184206069.db2.gz QUIQKOWVEKNAPL-UHFFFAOYSA-N 0 0 309.431 2.135 10 30 DEEERN COCCC1(C(=O)NCCOc2ccc(C#N)cc2)CCC1 ZINC000119627999 195004746 /nfs/dbraw/zinc/00/47/46/195004746.db2.gz WGCKBDMDOBRLEG-UHFFFAOYSA-N 0 0 302.374 2.260 10 30 DEEERN CCCN(Cc1ccc(C)cc1)C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000538404017 285034208 /nfs/dbraw/zinc/03/42/08/285034208.db2.gz NUOIOQVJZLGNCJ-AWEZNQCLSA-N 0 0 311.389 2.458 10 30 DEEERN CC(C)(C)CNC(=O)c1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000119729767 195026453 /nfs/dbraw/zinc/02/64/53/195026453.db2.gz DUYMPHXCXATJKZ-HNNXBMFYSA-N 0 0 313.401 2.494 10 30 DEEERN CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000377121178 285048742 /nfs/dbraw/zinc/04/87/42/285048742.db2.gz SZBHBLSESRAVMA-ZNMIVQPWSA-N 0 0 313.467 2.225 10 30 DEEERN C=CC[C@@H](CO)Nc1ncc([N+](=O)[O-])cc1Br ZINC000273365657 210713221 /nfs/dbraw/zinc/71/32/21/210713221.db2.gz WZLIQRLXMIGLDE-ZETCQYMHSA-N 0 0 302.128 2.101 10 30 DEEERN N#Cc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000159171308 197332582 /nfs/dbraw/zinc/33/25/82/197332582.db2.gz QFEBXEMVYNQTGN-UHFFFAOYSA-N 0 0 312.329 2.382 10 30 DEEERN C#CC[C@@H](CC)Nc1cnn(CC=C)c(=O)c1Br ZINC000158629244 197289960 /nfs/dbraw/zinc/28/99/60/197289960.db2.gz PDCBFAPJEZBAJR-SNVBAGLBSA-N 0 0 310.195 2.406 10 30 DEEERN C=CCn1ncc(N[C@@H](C)CSC)c(Br)c1=O ZINC000158593538 197286443 /nfs/dbraw/zinc/28/64/43/197286443.db2.gz QPSBXRCFRJURBU-QMMMGPOBSA-N 0 0 318.240 2.355 10 30 DEEERN C[C@H](C(=O)N(C1CC1)[C@H]1CCc2ccccc21)n1cnc(C#N)n1 ZINC000540958298 285145611 /nfs/dbraw/zinc/14/56/11/285145611.db2.gz OODALIMXPRXOND-WBMJQRKESA-N 0 0 321.384 2.389 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000183987269 335052350 /nfs/dbraw/zinc/05/23/50/335052350.db2.gz XCCYJRNARDHLOM-CYBMUJFWSA-N 0 0 310.781 2.011 10 30 DEEERN CC[C@@H]1CN(C(=O)c2ccc(F)cc2C#CCO)CCS1 ZINC000157973596 197231718 /nfs/dbraw/zinc/23/17/18/197231718.db2.gz VHSUFPZBXWPXGO-CQSZACIVSA-N 0 0 307.390 2.137 10 30 DEEERN C#CC[C@H](C)NS(=O)(=O)c1ccc(Br)cc1F ZINC000157840836 197219731 /nfs/dbraw/zinc/21/97/31/197219731.db2.gz ZRTHWDPRDRWHCD-QMMMGPOBSA-N 0 0 320.183 2.278 10 30 DEEERN CC[C@H](NS(=O)(=O)c1cc(C#N)ccc1C)c1ncc[nH]1 ZINC000157191713 197169542 /nfs/dbraw/zinc/16/95/42/197169542.db2.gz FMEYJDVMWKKDDU-LBPRGKRZSA-N 0 0 304.375 2.019 10 30 DEEERN CC(C)(C)[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)C[C@@H]1O ZINC000329849377 404471155 /nfs/dbraw/zinc/47/11/55/404471155.db2.gz NRPCULRBBYEQAD-APIJFGDWSA-N 0 0 310.438 2.197 10 30 DEEERN COc1cnccc1[C@H](C)NC(=O)Nc1ccn(CCC#N)n1 ZINC000188246803 533148430 /nfs/dbraw/zinc/14/84/30/533148430.db2.gz VRDYINNJVUMGEZ-NSHDSACASA-N 0 0 314.349 2.083 10 30 DEEERN N#Cc1ccnc(NC(=O)Cc2ccn(-c3ccccc3)n2)c1 ZINC000559610123 291916453 /nfs/dbraw/zinc/91/64/53/291916453.db2.gz PSKYUQGNBFLYPG-UHFFFAOYSA-N 0 0 303.325 2.320 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc2c(c1)OCC(=O)N2 ZINC000120738346 195228203 /nfs/dbraw/zinc/22/82/03/195228203.db2.gz XIBYBVWRSVHYIF-LBPRGKRZSA-N 0 0 317.389 2.243 10 30 DEEERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)C(C)(C)C#N)C1 ZINC000151397200 196675044 /nfs/dbraw/zinc/67/50/44/196675044.db2.gz LWHYPIBLPUGQBG-LSDHHAIUSA-N 0 0 314.385 2.341 10 30 DEEERN N#CCCN(CCC#N)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000122802384 224611008 /nfs/dbraw/zinc/61/10/08/224611008.db2.gz HBKDUPNWZBJDKC-MRXNPFEDSA-N 0 0 321.808 2.347 10 30 DEEERN CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000121735030 195336665 /nfs/dbraw/zinc/33/66/65/195336665.db2.gz DTIOXGBNELEHEO-LBPRGKRZSA-N 0 0 309.778 2.072 10 30 DEEERN Cc1cc(NN)c(C(=O)Nc2cc(Cl)ccc2C#N)cn1 ZINC000122069649 195397679 /nfs/dbraw/zinc/39/76/79/195397679.db2.gz JAMVBJBNLZIIAL-UHFFFAOYSA-N 0 0 301.737 2.453 10 30 DEEERN Cc1cc(NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc(C#N)n1 ZINC000561351361 291960369 /nfs/dbraw/zinc/96/03/69/291960369.db2.gz KRIMJVOMVPRRSA-CZUORRHYSA-N 0 0 301.390 2.241 10 30 DEEERN COCCCN(CCOC)C(=O)NCC1CCC(C#N)CC1 ZINC000442724217 533281684 /nfs/dbraw/zinc/28/16/84/533281684.db2.gz UOBLQPKJMAKXAY-UHFFFAOYSA-N 0 0 311.426 2.011 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000171551807 533593815 /nfs/dbraw/zinc/59/38/15/533593815.db2.gz RPWYDHQSIFDNKN-GFCCVEGCSA-N 0 0 319.430 2.361 10 30 DEEERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(C#N)cn2C)C12CCC2 ZINC000178112648 132532645 /nfs/dbraw/zinc/53/26/45/132532645.db2.gz HZOOZMVMIHBBGZ-HUUCEWRRSA-N 0 0 301.390 2.316 10 30 DEEERN COC(=O)[C@H](CNC(=O)c1sccc1C#N)c1ccccc1 ZINC000359667896 133137996 /nfs/dbraw/zinc/13/79/96/133137996.db2.gz RCMHGEXJNZKSRK-CYBMUJFWSA-N 0 0 314.366 2.306 10 30 DEEERN C[C@](O)(CNC(=O)CNc1ccc(C#N)cc1)C1CCCCC1 ZINC000360433348 133182123 /nfs/dbraw/zinc/18/21/23/133182123.db2.gz IVQZMVXVJUWTPN-SFHVURJKSA-N 0 0 315.417 2.418 10 30 DEEERN COC[C@@](C)(NC(=O)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000362204720 133216896 /nfs/dbraw/zinc/21/68/96/133216896.db2.gz PEGAWFBOKMUAQO-CYBMUJFWSA-N 0 0 300.280 2.184 10 30 DEEERN Cc1oc(C#N)cc1C(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000376455493 133295537 /nfs/dbraw/zinc/29/55/37/133295537.db2.gz QVIOIXNOZLVGGK-JTQLQIEISA-N 0 0 313.361 2.392 10 30 DEEERN C=CCc1ccc(OCC(=O)N2CCC(=O)[C@@H](C)C2)c(OC)c1 ZINC000356374906 404483308 /nfs/dbraw/zinc/48/33/08/404483308.db2.gz TVPKYQZPBJQXOM-ZDUSSCGKSA-N 0 0 317.385 2.240 10 30 DEEERN C[C@H]1CC[C@H](CCC(=O)NCCOc2ccc(C#N)cc2)O1 ZINC000076210930 144568366 /nfs/dbraw/zinc/56/83/66/144568366.db2.gz DEXKIYGTHMSLCP-XJKSGUPXSA-N 0 0 302.374 2.401 10 30 DEEERN CO[C@@H]1CN(C(=O)NCc2cc(C#N)ccc2F)CC[C@H]1C ZINC000187583015 145001170 /nfs/dbraw/zinc/00/11/70/145001170.db2.gz GHEXJLSUPGOVBG-IAQYHMDHSA-N 0 0 305.353 2.264 10 30 DEEERN CCn1cc([C@H]2CN(C(=O)c3sccc3C#N)CCO2)cn1 ZINC000191774259 145064418 /nfs/dbraw/zinc/06/44/18/145064418.db2.gz LJNJTCNEKIZNHF-CYBMUJFWSA-N 0 0 316.386 2.050 10 30 DEEERN N#Cc1cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)ccn1 ZINC000192481494 145074715 /nfs/dbraw/zinc/07/47/15/145074715.db2.gz CVZFXDULHBBNHY-UHFFFAOYSA-N 0 0 320.352 2.442 10 30 DEEERN N#Cc1cc(C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)ccn1 ZINC000193112074 145082180 /nfs/dbraw/zinc/08/21/80/145082180.db2.gz DNWLKHFQOGRZNV-MRXNPFEDSA-N 0 0 311.316 2.306 10 30 DEEERN COC(=O)CC[C@H](NC(=O)c1ccnc(C#N)c1)c1ccccc1 ZINC000193175915 145083671 /nfs/dbraw/zinc/08/36/71/145083671.db2.gz UWEKFBZQUQYCBB-INIZCTEOSA-N 0 0 323.352 2.378 10 30 DEEERN N#Cc1cc(C(=O)NCc2nc(C(F)(F)F)cs2)ccn1 ZINC000193327066 145085330 /nfs/dbraw/zinc/08/53/30/145085330.db2.gz UYCGCPIKDYLJFW-UHFFFAOYSA-N 0 0 312.276 2.359 10 30 DEEERN COc1ccccc1O[C@@H](C)CNC(=O)c1ccnc(C#N)c1 ZINC000193380267 145085680 /nfs/dbraw/zinc/08/56/80/145085680.db2.gz YUILPWGHUARYQV-LBPRGKRZSA-N 0 0 311.341 2.159 10 30 DEEERN CN(C)C(=O)c1cc(NC(=O)c2ccnc(C#N)c2)ccc1F ZINC000193479589 145086234 /nfs/dbraw/zinc/08/62/34/145086234.db2.gz MOAMQNXRVIXXHQ-UHFFFAOYSA-N 0 0 312.304 2.046 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cc(C#N)cs3)[C@H]2C1 ZINC000246852772 145117196 /nfs/dbraw/zinc/11/71/96/145117196.db2.gz QQMVBGCCHWSAJB-AGIUHOORSA-N 0 0 306.387 2.028 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(C#N)cc1OC ZINC000248784990 145167163 /nfs/dbraw/zinc/16/71/63/145167163.db2.gz CMKAXFTUIZVOIU-UNEWFSDZSA-N 0 0 314.385 2.340 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cccc(F)c3C#N)[C@H]2C1 ZINC000249291123 145182110 /nfs/dbraw/zinc/18/21/10/145182110.db2.gz VSWMDGSCAJKNSZ-RLCCDNCMSA-N 0 0 318.348 2.106 10 30 DEEERN Cc1ccsc1CNS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000336841805 145399515 /nfs/dbraw/zinc/39/95/15/145399515.db2.gz SNMRNLMZBCXNSB-UHFFFAOYSA-N 0 0 307.400 2.110 10 30 DEEERN C[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(C#N)cc1F ZINC000358436050 147133962 /nfs/dbraw/zinc/13/39/62/147133962.db2.gz RHJJXWVLUVJWMT-MRVPVSSYSA-N 0 0 303.259 2.026 10 30 DEEERN N#Cc1ccc(N[C@@H]2CCN(C3CCOCC3)C2=O)cc1Cl ZINC000371825837 148145209 /nfs/dbraw/zinc/14/52/09/148145209.db2.gz ZRKJQGLWESOJBM-OAHLLOKOSA-N 0 0 319.792 2.403 10 30 DEEERN N#Cc1ccc(CN2CCNC(=O)[C@H]2c2ccccc2F)cc1 ZINC000374588823 148265797 /nfs/dbraw/zinc/26/57/97/148265797.db2.gz UGGFXUXZAMHCAA-QGZVFWFLSA-N 0 0 309.344 2.370 10 30 DEEERN C=CCCS(=O)(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000372188501 404488492 /nfs/dbraw/zinc/48/84/92/404488492.db2.gz RZYIQEGKCWBJGA-INIZCTEOSA-N 0 0 307.415 2.414 10 30 DEEERN CC(=O)NC(C)(C)c1noc([C@@H](C)Oc2ccccc2C#N)n1 ZINC000072549102 401710771 /nfs/dbraw/zinc/71/07/71/401710771.db2.gz UNDRHXZNWQHRMX-SNVBAGLBSA-N 0 0 314.345 2.452 10 30 DEEERN C=CCN(CC=C)C(=O)CNc1ccc(S(C)(=O)=O)cc1C ZINC000114453096 401799427 /nfs/dbraw/zinc/79/94/27/401799427.db2.gz GMWIQFLLVVFFRA-UHFFFAOYSA-N 0 0 322.430 2.011 10 30 DEEERN Cn1c2cc(NCc3cnc4ccc(C#N)cn34)ccc2oc1=O ZINC000128642919 401786746 /nfs/dbraw/zinc/78/67/46/401786746.db2.gz YANQGOJGKJEDED-UHFFFAOYSA-N 0 0 319.324 2.263 10 30 DEEERN C=CCNC(=O)[C@H](C)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000128644312 401786763 /nfs/dbraw/zinc/78/67/63/401786763.db2.gz XULWXVYEGZMVOA-BBRMVZONSA-N 0 0 306.381 2.198 10 30 DEEERN Cc1sc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)c(C#N)c1C ZINC000078316497 401847106 /nfs/dbraw/zinc/84/71/06/401847106.db2.gz IWWVNJNMBWJHSQ-NXEZZACHSA-N 0 0 307.419 2.284 10 30 DEEERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)CCC#N ZINC000078343097 401847365 /nfs/dbraw/zinc/84/73/65/401847365.db2.gz KKULDPAMCNIUBI-HIFRSBDPSA-N 0 0 301.390 2.203 10 30 DEEERN C=CC[C@@H](C)NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000116850764 401861512 /nfs/dbraw/zinc/86/15/12/401861512.db2.gz BKUNGBRPAHKIIE-SNVBAGLBSA-N 0 0 301.795 2.195 10 30 DEEERN C=CCNC(=O)c1ccccc1NCC(=O)NC1CCCCC1 ZINC000078708424 401862522 /nfs/dbraw/zinc/86/25/22/401862522.db2.gz GDTXNISYFOVKCE-UHFFFAOYSA-N 0 0 315.417 2.463 10 30 DEEERN C[NH+](C)C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000135201594 401930011 /nfs/dbraw/zinc/93/00/11/401930011.db2.gz CLEDVQZVKVQLCM-INIZCTEOSA-N 0 0 301.434 2.250 10 30 DEEERN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccccc1Br ZINC000119234319 401934970 /nfs/dbraw/zinc/93/49/70/401934970.db2.gz LPUKDIMPJYPVJQ-MNOVXSKESA-N 0 0 309.207 2.238 10 30 DEEERN CC(=O)N(C)c1ccccc1NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000118389277 401896684 /nfs/dbraw/zinc/89/66/84/401896684.db2.gz OZDIOAHHZKTOGP-KRWDZBQOSA-N 0 0 316.405 2.136 10 30 DEEERN C=CCN(C(C)=O)[C@H](C)C(=O)c1c(C)c(C(=O)OC)n(C)c1C ZINC000036018405 401901294 /nfs/dbraw/zinc/90/12/94/401901294.db2.gz WUZULOOZRCDSHF-GFCCVEGCSA-N 0 0 320.389 2.034 10 30 DEEERN C=C(C)COCCNC(=O)c1ccc2c(c1O)OC(C)(C)C2 ZINC000119645993 401963015 /nfs/dbraw/zinc/96/30/15/401963015.db2.gz SEJRIKVMNZJFHI-UHFFFAOYSA-N 0 0 305.374 2.428 10 30 DEEERN CCOC(=O)C[C@H](C)CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000089787606 401963694 /nfs/dbraw/zinc/96/36/94/401963694.db2.gz BENZLVFGJMIWLF-STQMWFEESA-N 0 0 318.373 2.031 10 30 DEEERN C[C@@H]1CN(C(=O)CSCc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000046804987 401972897 /nfs/dbraw/zinc/97/28/97/401972897.db2.gz ZXVFXXZTUXODKR-CHWSQXEVSA-N 0 0 304.415 2.427 10 30 DEEERN Cc1cccc(-c2noc(Cn3ccc(C)c(C#N)c3=O)n2)c1 ZINC000137624206 401985192 /nfs/dbraw/zinc/98/51/92/401985192.db2.gz SFWHVAWGDUZDKS-UHFFFAOYSA-N 0 0 306.325 2.435 10 30 DEEERN C#C[C@@](NC(=O)OCc1ccccc1)(C(=O)OC)C(F)(F)F ZINC000043464659 401938229 /nfs/dbraw/zinc/93/82/29/401938229.db2.gz FWZVGAVQBUZNOJ-CYBMUJFWSA-N 0 0 315.247 2.020 10 30 DEEERN Cc1nnc(NC2CCN(c3ccccn3)CC2)c(C#N)c1C ZINC000052185381 402041225 /nfs/dbraw/zinc/04/12/25/402041225.db2.gz GBHNTMGQFHARSN-UHFFFAOYSA-N 0 0 308.389 2.441 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1nc2c(cc1C#N)CCCC2 ZINC000121881194 402055523 /nfs/dbraw/zinc/05/55/23/402055523.db2.gz GYQBGQNCZFTHMW-UHFFFAOYSA-N 0 0 305.341 2.295 10 30 DEEERN C=C(C)CN(CC)C(=O)C1CCN(c2nccc(OC)n2)CC1 ZINC000122377271 402075842 /nfs/dbraw/zinc/07/58/42/402075842.db2.gz ARZMLRQPQMSBBE-UHFFFAOYSA-N 0 0 318.421 2.126 10 30 DEEERN Cc1ccc(N2C[C@@H](C(=O)N(CCC#N)CCC#N)CC2=O)cc1 ZINC000059239350 402104192 /nfs/dbraw/zinc/10/41/92/402104192.db2.gz JZSZXOHVYJVYJX-HNNXBMFYSA-N 0 0 324.384 2.004 10 30 DEEERN CCOC(=O)CC[C@H](C)NC(=O)c1ccccc1OCC#N ZINC000152724941 402105621 /nfs/dbraw/zinc/10/56/21/402105621.db2.gz OMXQAVJZGFXFQC-LBPRGKRZSA-N 0 0 304.346 2.051 10 30 DEEERN C=CCN(CC(=O)NCCCC)Cc1cccc([N+](=O)[O-])c1 ZINC000063297759 402112305 /nfs/dbraw/zinc/11/23/05/402112305.db2.gz CGFUWSLXVPKYMB-UHFFFAOYSA-N 0 0 305.378 2.499 10 30 DEEERN Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@H](C)CC#N)C(C)C ZINC000064333257 402119146 /nfs/dbraw/zinc/11/91/46/402119146.db2.gz WABQQPSINUYOCC-UKRRQHHQSA-N 0 0 301.390 2.168 10 30 DEEERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc(C#N)cc1C ZINC000122098460 402061354 /nfs/dbraw/zinc/06/13/54/402061354.db2.gz ZKSWHUBDGWQUJO-MRXNPFEDSA-N 0 0 313.401 2.340 10 30 DEEERN C#CCCN1CCN(C(=O)Cc2c(Cl)cccc2OC)CC1 ZINC000153084159 402125923 /nfs/dbraw/zinc/12/59/23/402125923.db2.gz WPXOSKDRVFMRDG-UHFFFAOYSA-N 0 0 320.820 2.059 10 30 DEEERN CCc1nnc(N[C@@H]2CCc3nc(C)cn3C2)c(C#N)c1CC ZINC000123980187 402157904 /nfs/dbraw/zinc/15/79/04/402157904.db2.gz RGYIWJMHADOVRA-GFCCVEGCSA-N 0 0 310.405 2.405 10 30 DEEERN N#Cc1ccc(CSCC(=O)N2CCN(C3CC3)CC2)cc1 ZINC000124714763 402193417 /nfs/dbraw/zinc/19/34/17/402193417.db2.gz NCSNWFAARZDFBT-UHFFFAOYSA-N 0 0 315.442 2.098 10 30 DEEERN N#CC1(NC(=O)CCc2nc(-c3ccccn3)no2)CCCC1 ZINC000124789156 402197397 /nfs/dbraw/zinc/19/73/97/402197397.db2.gz DHSLGEIVMNJTAS-UHFFFAOYSA-N 0 0 311.345 2.017 10 30 DEEERN N#CC1(NC(=O)c2nc(N3CCCC3)ncc2Cl)CCCC1 ZINC000124812665 402198497 /nfs/dbraw/zinc/19/84/97/402198497.db2.gz GDGRWYMQKXCJPZ-UHFFFAOYSA-N 0 0 319.796 2.296 10 30 DEEERN CCn1cnnc1C1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000068488310 402200407 /nfs/dbraw/zinc/20/04/07/402200407.db2.gz BQPYLCUQNACEJM-UHFFFAOYSA-N 0 0 323.400 2.384 10 30 DEEERN COc1cccc(CNC(=O)Nc2ccc(F)c(C#N)c2)n1 ZINC000102954979 402175684 /nfs/dbraw/zinc/17/56/84/402175684.db2.gz FXGNQTQUGBVYIL-UHFFFAOYSA-N 0 0 300.293 2.423 10 30 DEEERN CCCCCCC[C@H](C)CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC000155631405 402263738 /nfs/dbraw/zinc/26/37/38/402263738.db2.gz DQLYNUDUCZWNOS-POZPTJLLSA-N 0 0 323.437 2.087 10 30 DEEERN COc1ccc(CCC(=O)N[C@@H](C#N)C2CC2)c(OC)c1OC ZINC000108829116 402262182 /nfs/dbraw/zinc/26/21/82/402262182.db2.gz SQSBQOXLRURUSS-ZDUSSCGKSA-N 0 0 318.373 2.063 10 30 DEEERN Cc1c(C(=O)N[C@@H](C#N)C2CC2)nnn1-c1cccc(Cl)c1 ZINC000108836634 402262588 /nfs/dbraw/zinc/26/25/88/402262588.db2.gz NBZAVBKGLPJJEL-ZDUSSCGKSA-N 0 0 315.764 2.261 10 30 DEEERN COc1ccc(C)cc1-n1ccc(C(=O)N[C@@H](C#N)C2CC2)n1 ZINC000108836480 402262614 /nfs/dbraw/zinc/26/26/14/402262614.db2.gz UJSCFGTUMCWTBA-AWEZNQCLSA-N 0 0 310.357 2.221 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000155623070 402263167 /nfs/dbraw/zinc/26/31/67/402263167.db2.gz WVXHUMMTLNPMQH-KGLIPLIRSA-N 0 0 314.389 2.426 10 30 DEEERN C=C(C)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000156819967 402288950 /nfs/dbraw/zinc/28/89/50/402288950.db2.gz DELXCSJCGNUHGD-ZIAGYGMSSA-N 0 0 318.421 2.071 10 30 DEEERN C=CCSCCNC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000176242673 402293588 /nfs/dbraw/zinc/29/35/88/402293588.db2.gz FODIBSVJBFYIPJ-NSHDSACASA-N 0 0 310.467 2.186 10 30 DEEERN N#C[C@H](NC(=O)CCSc1ccc2c(c1)OCCO2)C1CC1 ZINC000159573035 402325941 /nfs/dbraw/zinc/32/59/41/402325941.db2.gz ZVGOGAGQYAWHFP-ZDUSSCGKSA-N 0 0 318.398 2.358 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000185039563 402319148 /nfs/dbraw/zinc/31/91/48/402319148.db2.gz QUWZLVDJGUYRIJ-CQSZACIVSA-N 0 0 303.406 2.137 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(OC)ccc1Br ZINC000185895087 402387147 /nfs/dbraw/zinc/38/71/47/402387147.db2.gz PSORWDQDTSSJAS-VIFPVBQESA-N 0 0 314.179 2.125 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc2ccc(OC)cc2nc1C ZINC000185892872 402387154 /nfs/dbraw/zinc/38/71/54/402387154.db2.gz GROVDYCPFUBAJY-ZDUSSCGKSA-N 0 0 300.358 2.219 10 30 DEEERN C=CCN(CC=C)C(=O)N[C@H]1C[C@H](OCC)C12CCOCC2 ZINC000185690877 402370017 /nfs/dbraw/zinc/37/00/17/402370017.db2.gz QFTOWINHHUCZNL-GJZGRUSLSA-N 0 0 308.422 2.344 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCC(C)(C)c1ccc(OC)cc1 ZINC000185794065 402377713 /nfs/dbraw/zinc/37/77/13/402377713.db2.gz USVAQGYRBNSSJZ-AWEZNQCLSA-N 0 0 306.406 2.209 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O ZINC000185796917 402378314 /nfs/dbraw/zinc/37/83/14/402378314.db2.gz IECDNPKFZXKPPQ-RDJZCZTQSA-N 0 0 314.385 2.004 10 30 DEEERN Cc1nccn1C[C@@H]1CCCN1C(=O)COc1ccccc1C#N ZINC000177174519 402378565 /nfs/dbraw/zinc/37/85/65/402378565.db2.gz TVLJHUYKVTYACM-INIZCTEOSA-N 0 0 324.384 2.133 10 30 DEEERN C#CCCCCNC(=O)N[C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000185851166 402382785 /nfs/dbraw/zinc/38/27/85/402382785.db2.gz NIIOSBZRTGYLQC-HUUCEWRRSA-N 0 0 308.422 2.063 10 30 DEEERN CO[C@H](C)c1noc(Cn2c(C)nnc2-c2cccc(C#N)c2)n1 ZINC000177305515 402388997 /nfs/dbraw/zinc/38/89/97/402388997.db2.gz PKLDTSDYPAOHAK-SNVBAGLBSA-N 0 0 324.344 2.264 10 30 DEEERN CC#CCCCC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000185869909 402384543 /nfs/dbraw/zinc/38/45/43/402384543.db2.gz SZIDXXQNYYAUKF-LSDHHAIUSA-N 0 0 305.374 2.124 10 30 DEEERN N#Cc1nc(N)n(Cc2ncc(-c3cccc(F)c3)o2)c1C#N ZINC000177246407 402385054 /nfs/dbraw/zinc/38/50/54/402385054.db2.gz WYKBLOZIWOKCPO-UHFFFAOYSA-N 0 0 308.276 2.051 10 30 DEEERN C=CC[C@H](CO)NC(=O)COc1ccc(Cl)c2cccnc12 ZINC000185886914 402385629 /nfs/dbraw/zinc/38/56/29/402385629.db2.gz HIOGJGAVUFBHRX-LLVKDONJSA-N 0 0 320.776 2.320 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000176785565 402337500 /nfs/dbraw/zinc/33/75/00/402337500.db2.gz IPAQMVNHBMTJRI-UHFFFAOYSA-N 0 0 309.304 2.474 10 30 DEEERN CN(CCC#N)c1ccc(CN[C@H]2CCCn3ncnc32)cc1 ZINC000176802662 402338893 /nfs/dbraw/zinc/33/88/93/402338893.db2.gz XZFHRSBUSPDUNF-INIZCTEOSA-N 0 0 310.405 2.253 10 30 DEEERN Cn1nccc1C1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000177492434 402408211 /nfs/dbraw/zinc/40/82/11/402408211.db2.gz QXFSGGFVIUFGCO-UHFFFAOYSA-N 0 0 300.387 2.373 10 30 DEEERN C=CCCS(=O)(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000186179763 402408257 /nfs/dbraw/zinc/40/82/57/402408257.db2.gz FBSBXMNHXFYVCT-UHFFFAOYSA-N 0 0 303.387 2.139 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000162205943 402413517 /nfs/dbraw/zinc/41/35/17/402413517.db2.gz RXAWJYJUMODIAF-UHFFFAOYSA-N 0 0 321.380 2.255 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162554845 402424179 /nfs/dbraw/zinc/42/41/79/402424179.db2.gz IJBSJCDPTGBWSY-AWEZNQCLSA-N 0 0 305.422 2.182 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)C(=O)NCc1ccccc1 ZINC000162778853 402431924 /nfs/dbraw/zinc/43/19/24/402431924.db2.gz SLQUAWDUGWHVND-CQSZACIVSA-N 0 0 321.380 2.301 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000186651955 402451644 /nfs/dbraw/zinc/45/16/44/402451644.db2.gz HXBXLQQVCPBUDP-JTQLQIEISA-N 0 0 324.229 2.350 10 30 DEEERN C=CCN(C)C(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000161595235 402392438 /nfs/dbraw/zinc/39/24/38/402392438.db2.gz YTBSPZWDOLGVCU-LBPRGKRZSA-N 0 0 304.415 2.406 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000186654688 402452308 /nfs/dbraw/zinc/45/23/08/402452308.db2.gz IRQDHTCUVYXREN-SECBINFHSA-N 0 0 324.229 2.350 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccccc1OCC(F)F ZINC000186663334 402452821 /nfs/dbraw/zinc/45/28/21/402452821.db2.gz MFXORBXHQGJCAJ-JTQLQIEISA-N 0 0 300.305 2.389 10 30 DEEERN CCO[C@H]1C[C@@H](NC(=O)c2cc(C#N)cs2)C12CCOCC2 ZINC000187035423 402479659 /nfs/dbraw/zinc/47/96/59/402479659.db2.gz YIOZHVWGUONMSM-KGLIPLIRSA-N 0 0 320.414 2.324 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCOc2ccncc21 ZINC000178383787 402492293 /nfs/dbraw/zinc/49/22/93/402492293.db2.gz VUCLAPVNIOFCRM-GFCCVEGCSA-N 0 0 309.325 2.146 10 30 DEEERN C=CCNC(=O)NC(=O)[C@@H](C)Nc1cc(F)ccc1OC(C)C ZINC000171124014 402559875 /nfs/dbraw/zinc/55/98/75/402559875.db2.gz SHDWTYGDNOBUKN-LLVKDONJSA-N 0 0 323.368 2.425 10 30 DEEERN C=C(C)COCCNC(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000189949386 402567765 /nfs/dbraw/zinc/56/77/65/402567765.db2.gz YQLDONJPVQMBCW-UHFFFAOYSA-N 0 0 306.406 2.443 10 30 DEEERN CCCCC(=O)N1CSC[C@@H]1C(=O)NC1(C#N)CCCC1 ZINC000170827201 402529941 /nfs/dbraw/zinc/52/99/41/402529941.db2.gz VVLBVYWHLHUBLV-GFCCVEGCSA-N 0 0 309.435 2.031 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000189046945 402531158 /nfs/dbraw/zinc/53/11/58/402531158.db2.gz NXWJTORNROZDAK-PXAZEXFGSA-N 0 0 307.438 2.313 10 30 DEEERN COC(=O)[C@@H](C)N(C(=O)c1ccc(C#N)cc1C)C1CCC1 ZINC000190357595 402595078 /nfs/dbraw/zinc/59/50/78/402595078.db2.gz NPJWFOMLDULRRA-GFCCVEGCSA-N 0 0 300.358 2.423 10 30 DEEERN Cc1ccc2c(n1)OCCN2C(=O)Cc1ccc(OCC#N)cc1 ZINC000180442634 402616936 /nfs/dbraw/zinc/61/69/36/402616936.db2.gz JSWFCQBJBVCFQI-UHFFFAOYSA-N 0 0 323.352 2.261 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000180594299 402620641 /nfs/dbraw/zinc/62/06/41/402620641.db2.gz JCVZHHZRUDHSQK-CHWSQXEVSA-N 0 0 305.426 2.199 10 30 DEEERN CO[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000191055891 402639528 /nfs/dbraw/zinc/63/95/28/402639528.db2.gz KLFXYYJYMIAPBD-MNOVXSKESA-N 0 0 314.794 2.057 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NC[C@H]1COC2(CCCCCC2)O1 ZINC000181461865 402646182 /nfs/dbraw/zinc/64/61/82/402646182.db2.gz IEHJGXDBNVZKOJ-AWEZNQCLSA-N 0 0 317.389 2.092 10 30 DEEERN N#C[C@H]1CN(C(=O)c2ncoc2-c2ccccc2Cl)CCO1 ZINC000173581578 402704199 /nfs/dbraw/zinc/70/41/99/402704199.db2.gz ALIMQTNVMKAYMN-JTQLQIEISA-N 0 0 317.732 2.360 10 30 DEEERN C=CC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000173800471 402713286 /nfs/dbraw/zinc/71/32/86/402713286.db2.gz LVFWZEIYTMCQJM-CYBMUJFWSA-N 0 0 301.390 2.015 10 30 DEEERN N#Cc1ccc(OCCNC(=O)[C@H]2Cc3ccccc3O2)cc1 ZINC000173890642 402717785 /nfs/dbraw/zinc/71/77/85/402717785.db2.gz GNPAAJROGWICSO-QGZVFWFLSA-N 0 0 308.337 2.057 10 30 DEEERN N#Cc1ccc(OCCNC(=O)[C@H]2COc3ccccc3C2)cc1 ZINC000173900825 402718086 /nfs/dbraw/zinc/71/80/86/402718086.db2.gz DILJGWOSOSEMBA-MRXNPFEDSA-N 0 0 322.364 2.305 10 30 DEEERN Cc1noc(C)c1CCC(=O)NCCOc1ccc(C#N)cc1 ZINC000173901004 402718106 /nfs/dbraw/zinc/71/81/06/402718106.db2.gz RGGCBSLVQXSWRV-UHFFFAOYSA-N 0 0 313.357 2.291 10 30 DEEERN C=CCCCN(C)C(=O)C1CCN(Cc2nccn2C)CC1 ZINC000172555459 402662745 /nfs/dbraw/zinc/66/27/45/402662745.db2.gz PGCJTMZTDYRCSZ-UHFFFAOYSA-N 0 0 304.438 2.057 10 30 DEEERN C[C@@H](Cc1ccccc1)CN(CCC#N)CCN1CCOCC1 ZINC000182025857 402664963 /nfs/dbraw/zinc/66/49/63/402664963.db2.gz SACSQLWJWGGCEH-SFHVURJKSA-N 0 0 315.461 2.413 10 30 DEEERN N#CCCn1ccc(NC(=O)Nc2ccc(-c3ncon3)cc2)n1 ZINC000191383818 402665680 /nfs/dbraw/zinc/66/56/80/402665680.db2.gz DTMNFQBQSAJSBV-UHFFFAOYSA-N 0 0 323.316 2.491 10 30 DEEERN CC(=NNS(=O)(=O)c1ccc(Cl)cc1)c1ccncc1 ZINC000254770302 402671591 /nfs/dbraw/zinc/67/15/91/402671591.db2.gz KHGDZUXBYFGCCV-UHFFFAOYSA-N 0 0 309.778 2.438 10 30 DEEERN CN(C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)C1(C#N)CCC1 ZINC000173231173 402688538 /nfs/dbraw/zinc/68/85/38/402688538.db2.gz SQSCGJMDBPEHMQ-UONOGXRCSA-N 0 0 312.369 2.466 10 30 DEEERN Cc1cccc(-n2nc(C#N)c(N3CCCC[C@@H]3CCO)n2)c1 ZINC000256046607 402699586 /nfs/dbraw/zinc/69/95/86/402699586.db2.gz HBDSUCVLGNCLQP-CQSZACIVSA-N 0 0 311.389 2.189 10 30 DEEERN C#CCCCNC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000174075615 402725812 /nfs/dbraw/zinc/72/58/12/402725812.db2.gz DYCCLHAPNOGWFR-OAHLLOKOSA-N 0 0 313.401 2.460 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2cccc3c[nH]nc32)cc1 ZINC000174157007 402729197 /nfs/dbraw/zinc/72/91/97/402729197.db2.gz HTLJJWCRWZADQI-UHFFFAOYSA-N 0 0 306.325 2.243 10 30 DEEERN C=C(C)CN(C)S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000183280997 402753054 /nfs/dbraw/zinc/75/30/54/402753054.db2.gz XDQUHGUJJUHYAG-UHFFFAOYSA-N 0 0 317.794 2.323 10 30 DEEERN COC(=O)CC1(CNC(=O)c2ccnc(C#N)c2)CCCCC1 ZINC000193853740 402776862 /nfs/dbraw/zinc/77/68/62/402776862.db2.gz WWDWREFLRXMJCP-UHFFFAOYSA-N 0 0 315.373 2.197 10 30 DEEERN Cc1nscc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183699355 402789601 /nfs/dbraw/zinc/78/96/01/402789601.db2.gz AZQRIRLKAXEPJH-UHFFFAOYSA-N 0 0 310.342 2.156 10 30 DEEERN COC(=O)c1ccc(NC(=O)c2ccnc(C#N)c2)c(N(C)C)c1 ZINC000194341740 402792631 /nfs/dbraw/zinc/79/26/31/402792631.db2.gz RMBPFNOFOGGOTA-UHFFFAOYSA-N 0 0 324.340 2.058 10 30 DEEERN C=CCN(CC(=O)N[C@H](C)CC)Cc1cccc([N+](=O)[O-])c1 ZINC000194532750 402801445 /nfs/dbraw/zinc/80/14/45/402801445.db2.gz DYSBGASSAPQBEL-CYBMUJFWSA-N 0 0 305.378 2.498 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000183956690 402808339 /nfs/dbraw/zinc/80/83/39/402808339.db2.gz WDRPNQQYQVONHW-UKRRQHHQSA-N 0 0 314.389 2.491 10 30 DEEERN COc1ccc(COc2cccc(F)c2C(N)=O)cc1C#N ZINC000183958343 402808358 /nfs/dbraw/zinc/80/83/58/402808358.db2.gz PWQMTGYKBFUPEH-UHFFFAOYSA-N 0 0 300.289 2.384 10 30 DEEERN CCOc1ccc(C#N)cc1NC(=O)N1CCN(C2CC2)CC1 ZINC000175621297 402822074 /nfs/dbraw/zinc/82/20/74/402822074.db2.gz LZZBXYCIDAHKTQ-UHFFFAOYSA-N 0 0 314.389 2.269 10 30 DEEERN C[C@H](NC(=O)c1ccnc(C#N)c1)c1ccc(-n2cncn2)cc1 ZINC000195046065 402828621 /nfs/dbraw/zinc/82/86/21/402828621.db2.gz GPMQQHKWFGDGLB-LBPRGKRZSA-N 0 0 318.340 2.025 10 30 DEEERN CCCC(=O)N[C@H]1CCCN(C(=O)Cc2ccc(C#N)cc2)C1 ZINC000195405233 402844655 /nfs/dbraw/zinc/84/46/55/402844655.db2.gz MUUIALNMYUXMHP-INIZCTEOSA-N 0 0 313.401 2.008 10 30 DEEERN CCOC(=O)CN(C(=O)[C@H](C)Oc1ccccc1C#N)C(C)C ZINC000194170287 402786965 /nfs/dbraw/zinc/78/69/65/402786965.db2.gz YYAZGEFYHTXODQ-ZDUSSCGKSA-N 0 0 318.373 2.126 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)Cc2ccc(O)cc2)cn1 ZINC000183671730 402787733 /nfs/dbraw/zinc/78/77/33/402787733.db2.gz HDHKBMCCRLAIDA-UHFFFAOYSA-N 0 0 319.324 2.026 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000278162429 402861047 /nfs/dbraw/zinc/86/10/47/402861047.db2.gz AQAAGSZONYBOGH-HZPDHXFCSA-N 0 0 314.385 2.499 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 ZINC000278905735 402884301 /nfs/dbraw/zinc/88/43/01/402884301.db2.gz QBMSYCPEFYZVDE-WBVHZDCISA-N 0 0 316.445 2.193 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000265656767 402937495 /nfs/dbraw/zinc/93/74/95/402937495.db2.gz YUMSWHDKZWLRRE-MRXNPFEDSA-N 0 0 315.417 2.395 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(NC(=O)N(C)C)c1C ZINC000279398160 402938316 /nfs/dbraw/zinc/93/83/16/402938316.db2.gz HKDNSJRSCSIVJO-LBPRGKRZSA-N 0 0 320.393 2.147 10 30 DEEERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)CSCC#N)CCCC2 ZINC000279132863 402907858 /nfs/dbraw/zinc/90/78/58/402907858.db2.gz FESSNICEPUTAIL-AWEZNQCLSA-N 0 0 318.446 2.219 10 30 DEEERN C=CCCCN(C)C(=O)c1[nH]c(C)c(C(=O)OCCOC)c1C ZINC000265532749 402927346 /nfs/dbraw/zinc/92/73/46/402927346.db2.gz RCLNMCZRUHEZLG-UHFFFAOYSA-N 0 0 322.405 2.473 10 30 DEEERN C=C(C)CS(=O)(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000280522499 403009102 /nfs/dbraw/zinc/00/91/02/403009102.db2.gz FVWVKRNSBYCQKA-CQSZACIVSA-N 0 0 324.446 2.160 10 30 DEEERN C=C(C)CS(=O)(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000280679843 403026586 /nfs/dbraw/zinc/02/65/86/403026586.db2.gz ZIUILGLGBKBXOV-UHFFFAOYSA-N 0 0 300.449 2.360 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1c(F)cccc1OC(F)F ZINC000273213054 402983318 /nfs/dbraw/zinc/98/33/18/402983318.db2.gz ASSMPXARCJLVLD-VIFPVBQESA-N 0 0 318.295 2.163 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1O[C@H]1CCN(CC=C)C1=O ZINC000281016083 403056987 /nfs/dbraw/zinc/05/69/87/403056987.db2.gz PBQZXIFVGMZFIC-HNNXBMFYSA-N 0 0 302.330 2.489 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)/C(C)=C/c2ccc(F)cc2)C1=O ZINC000281489644 403069741 /nfs/dbraw/zinc/06/97/41/403069741.db2.gz VFWLFAAGKGPXAB-DBTPVHCXSA-N 0 0 316.376 2.474 10 30 DEEERN C=CCCCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000274678995 403078024 /nfs/dbraw/zinc/07/80/24/403078024.db2.gz RAWPNRCEJVXMQH-INIZCTEOSA-N 0 0 317.433 2.341 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N1CCC(C(=O)N(C)C)CC1 ZINC000282144079 403126484 /nfs/dbraw/zinc/12/64/84/403126484.db2.gz BSCLRUOLHRQBBM-CYBMUJFWSA-N 0 0 319.453 2.282 10 30 DEEERN CC(=O)CCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000282161100 403128361 /nfs/dbraw/zinc/12/83/61/403128361.db2.gz LTDJKPWRGCUKQK-UHFFFAOYSA-N 0 0 300.358 2.297 10 30 DEEERN C=CCn1c(N2CCC[C@H](C(=O)OC)C2)nnc1C(C)(C)C ZINC000282198302 403131711 /nfs/dbraw/zinc/13/17/11/403131711.db2.gz GVJSQSMPRDNYOD-LBPRGKRZSA-N 0 0 306.410 2.151 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC[C@H](C)C1 ZINC000283491921 403201132 /nfs/dbraw/zinc/20/11/32/403201132.db2.gz CZBXMZCRASHNKR-UONOGXRCSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCO1 ZINC000283318866 403188931 /nfs/dbraw/zinc/18/89/31/403188931.db2.gz IFGUZUDFVDFXTQ-CQSZACIVSA-N 0 0 313.405 2.450 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccnc(OC(F)F)c1 ZINC000284590840 403269641 /nfs/dbraw/zinc/26/96/41/403269641.db2.gz SCYLXDMQUQFYHI-DGCLKSJQSA-N 0 0 312.316 2.280 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000286003886 403429281 /nfs/dbraw/zinc/42/92/81/403429281.db2.gz GLTCDARYGYDHBL-CRAIPNDOSA-N 0 0 317.433 2.290 10 30 DEEERN C=CCOc1ccc(CNC(=O)NCC[C@@H](C)[S@](C)=O)cc1 ZINC000345611857 403404689 /nfs/dbraw/zinc/40/46/89/403404689.db2.gz YROROJZCLADOPO-DMZKTXOQSA-N 0 0 324.446 2.208 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](CO)C/C=C/C ZINC000287202379 403556040 /nfs/dbraw/zinc/55/60/40/403556040.db2.gz DOZRHZTWDGMNRA-VDLFBQIGSA-N 0 0 300.402 2.247 10 30 DEEERN CN(CC(=O)NC(C)(C)C)c1nc2c(cc1C#N)CCCC2 ZINC000301070404 403585972 /nfs/dbraw/zinc/58/59/72/403585972.db2.gz IPOMRKXRLVNFIV-UHFFFAOYSA-N 0 0 300.406 2.183 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(OCCC(=O)OC)cc1 ZINC000287440744 403600372 /nfs/dbraw/zinc/60/03/72/403600372.db2.gz TWYSLXIEJJNZDY-UHFFFAOYSA-N 0 0 313.353 2.230 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000346040611 403571899 /nfs/dbraw/zinc/57/18/99/403571899.db2.gz AMAGJFPBNVOPQQ-WBVHZDCISA-N 0 0 311.385 2.407 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000287345481 403579875 /nfs/dbraw/zinc/57/98/75/403579875.db2.gz NDNKDPZGEQJBCI-NVXWUHKLSA-N 0 0 307.397 2.265 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H](Cc1ccccn1)C(=O)OCC ZINC000346950419 403608293 /nfs/dbraw/zinc/60/82/93/403608293.db2.gz GTXLIAVOEDCAIP-UKRRQHHQSA-N 0 0 304.390 2.274 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1cnn(C)c1 ZINC000287484301 403608531 /nfs/dbraw/zinc/60/85/31/403608531.db2.gz QOIOZOGKXROXBV-WMLDXEAASA-N 0 0 310.401 2.415 10 30 DEEERN C=CCO[C@@H]1CCN(c2cc(N3CCC[C@@H](C)C3)ncn2)C1 ZINC000302201634 403709480 /nfs/dbraw/zinc/70/94/80/403709480.db2.gz ZLJHZMDYWNOYPB-HUUCEWRRSA-N 0 0 302.422 2.494 10 30 DEEERN N#Cc1ccc(N[C@@H]2CCN(C(=O)c3ccccn3)C2)c(F)c1 ZINC000301829205 403687682 /nfs/dbraw/zinc/68/76/82/403687682.db2.gz GQJDZCPUPCIPKL-CYBMUJFWSA-N 0 0 310.332 2.419 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)c1 ZINC000295130005 403768722 /nfs/dbraw/zinc/76/87/22/403768722.db2.gz ZTWSQRAGWUCSNP-XJKSGUPXSA-N 0 0 318.323 2.110 10 30 DEEERN C=C(CNC(=O)N1CCN(C(=O)C(C)C)CC1)c1ccccc1 ZINC000288076350 403720466 /nfs/dbraw/zinc/72/04/66/403720466.db2.gz RJPGQMDOFUTHGQ-UHFFFAOYSA-N 0 0 315.417 2.210 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](CC)CCO ZINC000288121027 403728737 /nfs/dbraw/zinc/72/87/37/403728737.db2.gz KBJVUWLRSGBQEG-WBVHZDCISA-N 0 0 302.418 2.329 10 30 DEEERN Cc1c(I)c(-c2cccnc2)nn1CC#N ZINC000409443490 403826040 /nfs/dbraw/zinc/82/60/40/403826040.db2.gz NVLGSIVALNRKIK-UHFFFAOYSA-N 0 0 324.125 2.382 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccnn1CC(F)(F)F ZINC000295173811 403783989 /nfs/dbraw/zinc/78/39/89/403783989.db2.gz QLOLMJRPIHKBFC-ZYHUDNBSSA-N 0 0 317.311 2.156 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)C[C@H]1CCOC[C@@H]1OC ZINC000295208636 403797050 /nfs/dbraw/zinc/79/70/50/403797050.db2.gz GENCMTXXBPXFHO-KURKYZTESA-N 0 0 315.413 2.179 10 30 DEEERN C=CCN1CC[C@H](N(C#N)c2ccc(OC)c(Cl)c2)C1=O ZINC000347777302 403863026 /nfs/dbraw/zinc/86/30/26/403863026.db2.gz MEWLXGMNSHHRPZ-ZDUSSCGKSA-N 0 0 305.765 2.423 10 30 DEEERN C#Cc1ccc(CNC(=O)[C@H]2CCCCN2C(=O)C(C)C)cc1 ZINC000295350678 403876137 /nfs/dbraw/zinc/87/61/37/403876137.db2.gz FDEMTTVQJKQPOK-QGZVFWFLSA-N 0 0 312.413 2.321 10 30 DEEERN C#Cc1ccc(CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1 ZINC000295474741 403946929 /nfs/dbraw/zinc/94/69/29/403946929.db2.gz NQNYIHGJOKYCCU-UHFFFAOYSA-N 0 0 312.329 2.353 10 30 DEEERN C#CCNCc1c(F)ccc(I)c1F ZINC000307481093 403953565 /nfs/dbraw/zinc/95/35/65/403953565.db2.gz HAERGULNPJJVOG-UHFFFAOYSA-N 0 0 307.081 2.292 10 30 DEEERN C=CCSc1ccccc1C(=O)N1CC(n2ccnn2)C1 ZINC000362404578 403954103 /nfs/dbraw/zinc/95/41/03/403954103.db2.gz SWGMUPOQCNNDIT-UHFFFAOYSA-N 0 0 300.387 2.253 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000362831897 403992739 /nfs/dbraw/zinc/99/27/39/403992739.db2.gz UOVPREPDUNVPJU-AGIUHOORSA-N 0 0 320.355 2.063 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1noc(CCOC)n1 ZINC000289725084 403995218 /nfs/dbraw/zinc/99/52/18/403995218.db2.gz HDFHIEOBJNWYBI-UHFFFAOYSA-N 0 0 319.317 2.474 10 30 DEEERN N#C[C@@H](C(=O)Nc1cccc(Br)c1)c1ccncn1 ZINC000362935490 404013364 /nfs/dbraw/zinc/01/33/64/404013364.db2.gz PLOZLJFODWBXAX-LLVKDONJSA-N 0 0 317.146 2.485 10 30 DEEERN N#Cc1cc(F)c(N[C@@H]2CCCNC2=O)cc1Br ZINC000310631258 403968742 /nfs/dbraw/zinc/96/87/42/403968742.db2.gz JYFBCQVYTJMYFM-SNVBAGLBSA-N 0 0 312.142 2.150 10 30 DEEERN C=CCC[C@H](NC(=O)C(=O)N(C)CCCCO)c1ccccc1 ZINC000289456046 403971049 /nfs/dbraw/zinc/97/10/49/403971049.db2.gz VWEFYLDFIJZYKV-INIZCTEOSA-N 0 0 318.417 2.041 10 30 DEEERN C=C[C@H](C)NC(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000362611651 403972794 /nfs/dbraw/zinc/97/27/94/403972794.db2.gz DRRXXQHNPXUJLF-ZDUSSCGKSA-N 0 0 305.397 2.272 10 30 DEEERN C=CCN(C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000354882347 404077989 /nfs/dbraw/zinc/07/79/89/404077989.db2.gz JOXMTLRUDKSWBE-HZPDHXFCSA-N 0 0 300.402 2.473 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N(CC2CC(c3ccccc3)C2)C1=O ZINC000348690656 404092287 /nfs/dbraw/zinc/09/22/87/404092287.db2.gz JVPYRDXTCTZPFC-BCLQGDPASA-N 0 0 314.385 2.303 10 30 DEEERN Cc1cnc(CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)s1 ZINC000328615552 404115193 /nfs/dbraw/zinc/11/51/93/404115193.db2.gz AWULBDRICKVCJP-SNVBAGLBSA-N 0 0 306.391 2.194 10 30 DEEERN C=CCNC(=O)C[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000349088625 404122513 /nfs/dbraw/zinc/12/25/13/404122513.db2.gz ZWQKHHQNQXJPHX-QFIPXVFZSA-N 0 0 322.361 2.032 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H](C)c1cnn(C)c1)CCC2 ZINC000328662405 404127189 /nfs/dbraw/zinc/12/71/89/404127189.db2.gz XIMPQQBWEFSZSE-STQMWFEESA-N 0 0 316.409 2.067 10 30 DEEERN CCc1nc2n(n1)C[C@H](NC(=O)c1ncoc1C1CC1)CC2 ZINC000328801762 404154026 /nfs/dbraw/zinc/15/40/26/404154026.db2.gz AKTKFQAYZRZVDX-SNVBAGLBSA-N 0 0 301.350 2.026 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCOC[C@H]1C1CC1)CCC2 ZINC000328818958 404156625 /nfs/dbraw/zinc/15/66/25/404156625.db2.gz DSANXPHXQGXFNB-GJZGRUSLSA-N 0 0 318.421 2.094 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC[C@H]1CCOC1 ZINC000355095864 404214601 /nfs/dbraw/zinc/21/46/01/404214601.db2.gz GNNGOHYCNROLTG-AWEZNQCLSA-N 0 0 322.405 2.286 10 30 DEEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000328833919 404160311 /nfs/dbraw/zinc/16/03/11/404160311.db2.gz LKMAXQVJFGEYNB-MGPQQGTHSA-N 0 0 304.394 2.418 10 30 DEEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000329020914 404203866 /nfs/dbraw/zinc/20/38/66/404203866.db2.gz HTWQWLDTPOVSTB-YNEHKIRRSA-N 0 0 307.394 2.412 10 30 DEEERN CN1CCc2ccc(NC(=O)N3CCc4cncnc4C3)cc21 ZINC000329180485 404257558 /nfs/dbraw/zinc/25/75/58/404257558.db2.gz DLUUOZVTKOJLQF-UHFFFAOYSA-N 0 0 309.373 2.073 10 30 DEEERN O=C(CCc1ccc2c(c1)OCCO2)N[C@H]1CCCNC1=O ZINC000329097927 404229065 /nfs/dbraw/zinc/22/90/65/404229065.db2.gz YQOZDYHKFFHIOV-LBPRGKRZSA-N 0 0 304.346 2.466 10 30 DEEERN C=C(Cl)CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000364252200 404330143 /nfs/dbraw/zinc/33/01/43/404330143.db2.gz UXVKLZFANPQBPD-UKRRQHHQSA-N 0 0 322.792 2.083 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1csc(-c2ccccn2)n1 ZINC000350220372 404347398 /nfs/dbraw/zinc/34/73/98/404347398.db2.gz FDDKSAXAWAOTHT-JTQLQIEISA-N 0 0 304.375 2.264 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000412590425 404364375 /nfs/dbraw/zinc/36/43/75/404364375.db2.gz OYTPSQMNAFLPBL-KSSFIOAISA-N 0 0 300.402 2.244 10 30 DEEERN C=C[C@](C)(O)CC(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000356010388 404385960 /nfs/dbraw/zinc/38/59/60/404385960.db2.gz ODUZASFSDRICPJ-KRWDZBQOSA-N 0 0 322.836 2.141 10 30 DEEERN CN(C)c1nccc(CNC(=O)N2CC3(CCC3)[C@@H]2C2CC2)n1 ZINC000329634115 404402408 /nfs/dbraw/zinc/40/24/08/404402408.db2.gz XAHMXNZWILPFOI-AWEZNQCLSA-N 0 0 315.421 2.221 10 30 DEEERN CC#CCCNC(=O)N[C@H](c1c(C)nn(C)c1C)C(F)(F)F ZINC000350640611 404430579 /nfs/dbraw/zinc/43/05/79/404430579.db2.gz WUXIAECMFKGXFF-GFCCVEGCSA-N 0 0 316.327 2.353 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N(C)CC(=O)NC(C)(C)C ZINC000351117495 404518580 /nfs/dbraw/zinc/51/85/80/404518580.db2.gz QLQZZFQXGCCWNY-UHFFFAOYSA-N 0 0 317.393 2.075 10 30 DEEERN C=CCNC(=O)CN1CCN(Cc2ccc(Cl)cc2C)CC1 ZINC000352551671 404451626 /nfs/dbraw/zinc/45/16/26/404451626.db2.gz ZTDHLIGBHDHUCS-UHFFFAOYSA-N 0 0 321.852 2.068 10 30 DEEERN O=C(N[C@@H]1CCc2c[nH]nc2C1)N[C@@H]1CCc2ccccc2C1 ZINC000329827572 404463167 /nfs/dbraw/zinc/46/31/67/404463167.db2.gz CUMGPEGBSFDIIR-HZPDHXFCSA-N 0 0 310.401 2.328 10 30 DEEERN N#Cc1cccc(-c2nnc(CN3CCO[C@H](C4CC4)C3)o2)c1 ZINC000330137046 404560787 /nfs/dbraw/zinc/56/07/87/404560787.db2.gz NOBBEJANNKWPMD-HNNXBMFYSA-N 0 0 310.357 2.219 10 30 DEEERN C=CCn1cc(-c2nc([C@@H](Cc3ccccc3)OC)no2)nn1 ZINC000351375061 404566117 /nfs/dbraw/zinc/56/61/17/404566117.db2.gz JECWSFSPVWYUIR-CQSZACIVSA-N 0 0 311.345 2.444 10 30 DEEERN C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000330191127 404580612 /nfs/dbraw/zinc/58/06/12/404580612.db2.gz MVTTUJIMUQKZEW-JHJVBQTASA-N 0 0 320.437 2.176 10 30 DEEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cn1ccnc1 ZINC000342555628 404648256 /nfs/dbraw/zinc/64/82/56/404648256.db2.gz WWSGSJHHPKWHQB-UHFFFAOYSA-N 0 0 301.394 2.265 10 30 DEEERN C[C@H]1OCC[C@H]1NC(=O)N1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000330252078 404603879 /nfs/dbraw/zinc/60/38/79/404603879.db2.gz IERCNEJZBZHRHR-BBBLOLIVSA-N 0 0 310.316 2.120 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cn(C)nc1C1CC1 ZINC000292010940 404626742 /nfs/dbraw/zinc/62/67/42/404626742.db2.gz IQDIBTMMNLPDPB-SWLSCSKDSA-N 0 0 304.394 2.400 10 30 DEEERN C=CCCOCCCCC(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000342615530 404679579 /nfs/dbraw/zinc/67/95/79/404679579.db2.gz YVRYATWTAFGFLK-UHFFFAOYSA-N 0 0 310.438 2.076 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cc(-n2ccnc2)ccn1 ZINC000357109477 404728340 /nfs/dbraw/zinc/72/83/40/404728340.db2.gz KIQNGBUQXCBCBK-UHFFFAOYSA-N 0 0 310.279 2.458 10 30 DEEERN CN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[C@H]1CCSC1 ZINC000357393472 404733560 /nfs/dbraw/zinc/73/35/60/404733560.db2.gz PLFIBZZTPQOYFN-NHYWBVRUSA-N 0 0 312.435 2.212 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)NCCc1ccc2ccccc2n1 ZINC000357755241 404742953 /nfs/dbraw/zinc/74/29/53/404742953.db2.gz NLYIDCZXICVTJS-UHFFFAOYSA-N 0 0 323.396 2.094 10 30 DEEERN C=CCOc1cccnc1C(=O)N(CCO)Cc1ccc(C)o1 ZINC000358267895 404758055 /nfs/dbraw/zinc/75/80/55/404758055.db2.gz SOBQGBRYMVDZJE-UHFFFAOYSA-N 0 0 316.357 2.183 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N(CC)Cc1cn(C)nn1 ZINC000358804389 404775893 /nfs/dbraw/zinc/77/58/93/404775893.db2.gz IYLXHZBXQNCNKS-UHFFFAOYSA-N 0 0 303.414 2.133 10 30 DEEERN C=C(C)Cn1c(N2C[C@@H](C(N)=O)CC[C@H]2C)nnc1C(C)(C)C ZINC000358801289 404776299 /nfs/dbraw/zinc/77/62/99/404776299.db2.gz CHHBKZPOECPRNS-OLZOCXBDSA-N 0 0 319.453 2.242 10 30 DEEERN C=C(C)Cn1c(N(CC)Cc2cn(C)nn2)nnc1C(C)(C)C ZINC000358958408 404780550 /nfs/dbraw/zinc/78/05/50/404780550.db2.gz OQVXLNSUDOCFEX-UHFFFAOYSA-N 0 0 317.441 2.307 10 30 DEEERN CO[C@@](C)(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1CC1 ZINC000360744234 404836360 /nfs/dbraw/zinc/83/63/60/404836360.db2.gz IUWKOOVFTONVAN-SJORKVTESA-N 0 0 324.421 2.179 10 30 DEEERN C=C(C)Cn1c(CC(C)C)nnc1N(CC)Cc1cn(C)nn1 ZINC000359209008 404786553 /nfs/dbraw/zinc/78/65/53/404786553.db2.gz DRDVZLXMMCYBRG-UHFFFAOYSA-N 0 0 317.441 2.208 10 30 DEEERN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCOC[C@@H](C)C1 ZINC000359248093 404788008 /nfs/dbraw/zinc/78/80/08/404788008.db2.gz YLHLWMBQRXOLMM-ZDUSSCGKSA-N 0 0 301.394 2.322 10 30 DEEERN C=C(CNC(=O)c1cc2c(cn1)nc[nH]c2=O)c1ccccc1 ZINC000360207198 404822145 /nfs/dbraw/zinc/82/21/45/404822145.db2.gz FPYBOKLDOPNZNQ-UHFFFAOYSA-N 0 0 306.325 2.174 10 30 DEEERN C=CCN(C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000360272076 404824318 /nfs/dbraw/zinc/82/43/18/404824318.db2.gz MMBDQFAIODKTLH-UHFFFAOYSA-N 0 0 306.309 2.440 10 30 DEEERN C[C@@H]1[C@@H](C(F)(F)F)CCN1S(=O)(=O)CC1(CC#N)CC1 ZINC000451514543 405010081 /nfs/dbraw/zinc/01/00/81/405010081.db2.gz ZVEHQAQUPZPSAZ-ZJUUUORDSA-N 0 0 310.341 2.283 10 30 DEEERN Cn1cc(-c2nc(C(=O)Nc3cc(C#N)ccn3)cs2)cn1 ZINC000436014198 405035798 /nfs/dbraw/zinc/03/57/98/405035798.db2.gz QBVVWXDMVAOFNL-UHFFFAOYSA-N 0 0 310.342 2.063 10 30 DEEERN N#Cc1cc(CN2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)ccc1F ZINC000408045802 405097305 /nfs/dbraw/zinc/09/73/05/405097305.db2.gz SZXWNUUUAWOLTH-KBAYOESNSA-N 0 0 318.392 2.449 10 30 DEEERN Cc1cc(C#N)nc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1 ZINC000367464065 405059024 /nfs/dbraw/zinc/05/90/24/405059024.db2.gz IGEWAYBIUZRIDW-CQSZACIVSA-N 0 0 321.384 2.146 10 30 DEEERN C=CCOc1ccc(C(=O)NC2CCC(C(N)=O)CC2)cc1 ZINC000354140040 405063642 /nfs/dbraw/zinc/06/36/42/405063642.db2.gz XUQAVPICQHZJIN-UHFFFAOYSA-N 0 0 302.374 2.025 10 30 DEEERN C=CCC1(NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CCCCC1 ZINC000451940341 405101689 /nfs/dbraw/zinc/10/16/89/405101689.db2.gz LFRKWUBDGXGCCU-KBPBESRZSA-N 0 0 316.467 2.209 10 30 DEEERN CC#CCCNC(=O)N[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000361438456 405076000 /nfs/dbraw/zinc/07/60/00/405076000.db2.gz ZNSCOYNSHRMYEV-ZDUSSCGKSA-N 0 0 304.390 2.347 10 30 DEEERN C=CC1CCN(S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)CC1 ZINC000416391165 405128911 /nfs/dbraw/zinc/12/89/11/405128911.db2.gz PXFSLDPYPMMEKR-LBPRGKRZSA-N 0 0 309.435 2.367 10 30 DEEERN C=CCCn1cc(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)nn1 ZINC000424540357 405112978 /nfs/dbraw/zinc/11/29/78/405112978.db2.gz KJVGDLBMCXIBHQ-LLVKDONJSA-N 0 0 318.352 2.493 10 30 DEEERN Cc1nsc(N2CCC[C@H](C(=O)N3CCCC3)C2)c1C#N ZINC000408106371 405114240 /nfs/dbraw/zinc/11/42/40/405114240.db2.gz XJSGUJMGIXLXHV-LBPRGKRZSA-N 0 0 304.419 2.162 10 30 DEEERN C=CCC1(C(=O)NCc2ccc3c(c2)OCCO3)CCOCC1 ZINC000424546892 405114763 /nfs/dbraw/zinc/11/47/63/405114763.db2.gz REHIRTNXDXKEQV-UHFFFAOYSA-N 0 0 317.385 2.447 10 30 DEEERN C[C@@H]1N(S(=O)(=O)c2cccc(C#N)c2)CCC12CCOCC2 ZINC000408210592 405139995 /nfs/dbraw/zinc/13/99/95/405139995.db2.gz IYNXRLULNWCKHC-ZDUSSCGKSA-N 0 0 320.414 2.138 10 30 DEEERN C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2cc(C#N)cn2C)C1 ZINC000408221754 405143487 /nfs/dbraw/zinc/14/34/87/405143487.db2.gz KZORTZAPDBPEOS-PXAZEXFGSA-N 0 0 303.406 2.204 10 30 DEEERN C=CCC1(C(=O)Nc2nnc3n(C)[nH]c(CC)c2-3)CCOCC1 ZINC000424670979 405145865 /nfs/dbraw/zinc/14/58/65/405145865.db2.gz GFQWVUQOIDPRPB-UHFFFAOYSA-N 0 0 317.393 2.170 10 30 DEEERN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[C@H](C)C3)C2)n1 ZINC000408288413 405162625 /nfs/dbraw/zinc/16/26/25/405162625.db2.gz XVHKMGBLFVRHAN-BBRMVZONSA-N 0 0 312.417 2.347 10 30 DEEERN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[C@H](C)C3)C2)n1 ZINC000408288416 405162632 /nfs/dbraw/zinc/16/26/32/405162632.db2.gz XVHKMGBLFVRHAN-XJKSGUPXSA-N 0 0 312.417 2.347 10 30 DEEERN C=CCCn1cc(C(=O)NCc2ccn(C3CCCC3)n2)nn1 ZINC000424741103 405164316 /nfs/dbraw/zinc/16/43/16/405164316.db2.gz QIOQBQMRSHIOFE-UHFFFAOYSA-N 0 0 314.393 2.096 10 30 DEEERN C=CCCn1cc(C(=O)N2CCc3c2c(F)ccc3F)nn1 ZINC000424854833 405197139 /nfs/dbraw/zinc/19/71/39/405197139.db2.gz XGZQWJPRRGWRGP-UHFFFAOYSA-N 0 0 304.300 2.335 10 30 DEEERN C=CCCCS(=O)(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000416646789 405207208 /nfs/dbraw/zinc/20/72/08/405207208.db2.gz MSPOUWJQSJDIJG-AWEZNQCLSA-N 0 0 312.410 2.290 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000424930294 405214458 /nfs/dbraw/zinc/21/44/58/405214458.db2.gz FDHRRWGDVUIEST-FZMZJTMJSA-N 0 0 324.764 2.498 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)COC/C=C/c1ccccc1 ZINC000424928629 405214620 /nfs/dbraw/zinc/21/46/20/405214620.db2.gz AACPTUIGYOHVNH-ICHOQEBTSA-N 0 0 301.386 2.424 10 30 DEEERN C=CCCn1cc(C(=O)N(CCc2nccs2)C(C)C)nn1 ZINC000424773717 405174362 /nfs/dbraw/zinc/17/43/62/405174362.db2.gz QEMNAWYHYFXGAC-UHFFFAOYSA-N 0 0 319.434 2.404 10 30 DEEERN CC(C)c1cnc(S(=O)(=O)CCOCCC#N)n1C(C)C ZINC000453018733 405274841 /nfs/dbraw/zinc/27/48/41/405274841.db2.gz DSEHYJZLQLLFDH-UHFFFAOYSA-N 0 0 313.423 2.291 10 30 DEEERN C=C(C)CCN1C(=O)N[C@H](c2ccc(OC)cc2OC)C1=O ZINC000419992535 405278437 /nfs/dbraw/zinc/27/84/37/405278437.db2.gz JSRFICQDACRVBS-CQSZACIVSA-N 0 0 304.346 2.263 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000437935535 405224834 /nfs/dbraw/zinc/22/48/34/405224834.db2.gz RZFPCKMHSAQKDS-UGUYLWEFSA-N 0 0 324.465 2.406 10 30 DEEERN C=C(C)CCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000452721789 405233439 /nfs/dbraw/zinc/23/34/39/405233439.db2.gz IDUJXUYNTYQICE-UHFFFAOYSA-N 0 0 301.795 2.196 10 30 DEEERN C=CC(C)(C)CNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000452781172 405241587 /nfs/dbraw/zinc/24/15/87/405241587.db2.gz ZOTPITVQZKIPAX-UHFFFAOYSA-N 0 0 315.461 2.133 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000425886509 405326675 /nfs/dbraw/zinc/32/66/75/405326675.db2.gz MPUGHDOEJQAKLZ-IHRRRGAJSA-N 0 0 310.438 2.025 10 30 DEEERN CC#CCCCC(=O)NCc1ncn(Cc2cccc(F)c2)n1 ZINC000440853544 405328957 /nfs/dbraw/zinc/32/89/57/405328957.db2.gz JQCYBRDSZNFGKA-UHFFFAOYSA-N 0 0 314.364 2.275 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000426073491 405337896 /nfs/dbraw/zinc/33/78/96/405337896.db2.gz PYDZFNXJACVBAY-LSDHHAIUSA-N 0 0 317.437 2.139 10 30 DEEERN C=CC[C@@H]1N(C(=O)N[C@@H]2CCC(=O)N(C)C2)CCCC1(C)C ZINC000445151708 405346797 /nfs/dbraw/zinc/34/67/97/405346797.db2.gz TUTOCRXZQVZTDV-KGLIPLIRSA-N 0 0 307.438 2.384 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CCOC)c1ccco1 ZINC000425479608 405297046 /nfs/dbraw/zinc/29/70/46/405297046.db2.gz DJBAJRJORYXHHD-IHRRRGAJSA-N 0 0 308.378 2.248 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CCOC)Cc1ccco1 ZINC000425500686 405298636 /nfs/dbraw/zinc/29/86/36/405298636.db2.gz CGGHUULAOWNQDP-LZWOXQAQSA-N 0 0 322.405 2.118 10 30 DEEERN C=C(CC)CNC(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000455202855 405386723 /nfs/dbraw/zinc/38/67/23/405386723.db2.gz GNRVSZBZGHXEAS-UHFFFAOYSA-N 0 0 314.393 2.421 10 30 DEEERN C=CC(C)(C)CNC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000455388612 405404102 /nfs/dbraw/zinc/40/41/02/405404102.db2.gz RWYCMAANVYSNKC-CQSZACIVSA-N 0 0 319.453 2.209 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000455655094 405440635 /nfs/dbraw/zinc/44/06/35/405440635.db2.gz JLIFEBKGWOHDCJ-DTWKUNHWSA-N 0 0 323.340 2.373 10 30 DEEERN C=CC(C)(C)CNC(=O)[C@H](NC(=O)c1ccccn1)C(C)C ZINC000456114849 405503420 /nfs/dbraw/zinc/50/34/20/405503420.db2.gz JRCPDFTUKLUKJK-CQSZACIVSA-N 0 0 303.406 2.164 10 30 DEEERN Cc1ccncc1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000456190524 405535174 /nfs/dbraw/zinc/53/51/74/405535174.db2.gz NHXWIUAHNJQYMF-QGZVFWFLSA-N 0 0 317.389 2.268 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NCC1([C@H]2CCCCO2)CCC1 ZINC000633293453 405554879 /nfs/dbraw/zinc/55/48/79/405554879.db2.gz BPGKHCFJHHRFCX-QLFBSQMISA-N 0 0 308.422 2.369 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000633410719 405628652 /nfs/dbraw/zinc/62/86/52/405628652.db2.gz ATXSEVZCEKKJIW-QWHCGFSZSA-N 0 0 316.467 2.196 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N(C)Cc1nc(CCOC)no1 ZINC000633411092 405628655 /nfs/dbraw/zinc/62/86/55/405628655.db2.gz IZUXRFCIGXAXEX-UHFFFAOYSA-N 0 0 324.425 2.392 10 30 DEEERN C=C(CC)CNC(=O)c1cnn(-c2ccc(OCC)nn2)c1C ZINC000456829254 405581804 /nfs/dbraw/zinc/58/18/04/405581804.db2.gz NXTNJRKNZVYYDN-UHFFFAOYSA-N 0 0 315.377 2.065 10 30 DEEERN C=CCC(C)(C)CNC(=O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000458807821 405600788 /nfs/dbraw/zinc/60/07/88/405600788.db2.gz GQRBPNPFWZCXFZ-KBPBESRZSA-N 0 0 307.438 2.289 10 30 DEEERN C=C(C)CN(CC)C(=O)N[C@@H]1C[C@H](OCC)[C@@H]1n1cccn1 ZINC000458902139 405645528 /nfs/dbraw/zinc/64/55/28/405645528.db2.gz SMMHDCIWWBWQLM-QLFBSQMISA-N 0 0 306.410 2.209 10 30 DEEERN C=CC(C)(C)CNC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000458991618 405681716 /nfs/dbraw/zinc/68/17/16/405681716.db2.gz UJNLLQMMSKIXRP-OAHLLOKOSA-N 0 0 309.454 2.095 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N(CCC)CCc1ccccn1 ZINC000459033934 405706805 /nfs/dbraw/zinc/70/68/05/405706805.db2.gz RZOFXYWLBSBTQY-CVEARBPZSA-N 0 0 303.406 2.389 10 30 DEEERN C=C[C@](C)(CC)C(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000457129661 405714601 /nfs/dbraw/zinc/71/46/01/405714601.db2.gz NCSTVWGYURRXQD-BLLLJJGKSA-N 0 0 321.446 2.418 10 30 DEEERN Cc1nnc(N2CC[C@H](c3nc(C4CC4)no3)C2)c(C#N)c1C ZINC000583617600 405776909 /nfs/dbraw/zinc/77/69/09/405776909.db2.gz IVKLODYUTRCFRN-LBPRGKRZSA-N 0 0 310.361 2.219 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)Nc1nccc(N(C)C)n1 ZINC000432446279 405768755 /nfs/dbraw/zinc/76/87/55/405768755.db2.gz ZTDJOWPHFQYJMN-UHFFFAOYSA-N 0 0 315.377 2.398 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1C[C@H](C)C[C@@H]1CC ZINC000584154919 405835480 /nfs/dbraw/zinc/83/54/80/405835480.db2.gz UKLINGOTAGENSN-YPMHNXCESA-N 0 0 315.425 2.193 10 30 DEEERN C=C(C)[C@H](CC(=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1)OCC ZINC000633806489 405852776 /nfs/dbraw/zinc/85/27/76/405852776.db2.gz WBXKZLJCFWEOQN-IXDOHACOSA-N 0 0 319.401 2.008 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N1CCN(c2cncc(OC)c2)CC1 ZINC000636276804 405858518 /nfs/dbraw/zinc/85/85/18/405858518.db2.gz ZUCANYQZEJGPSZ-KRWDZBQOSA-N 0 0 303.406 2.341 10 30 DEEERN COC(=O)[C@H](NC(=O)c1sccc1C#N)C1CCCCC1 ZINC000531276880 405936773 /nfs/dbraw/zinc/93/67/73/405936773.db2.gz BBRCWQQJAVKYOO-GFCCVEGCSA-N 0 0 306.387 2.471 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(OC)c(Cl)c(OC)c1 ZINC000459666989 405999928 /nfs/dbraw/zinc/99/99/28/405999928.db2.gz NPWIBFOOVVUBAH-SECBINFHSA-N 0 0 314.769 2.416 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc2[nH]c(OCC)nc2c1 ZINC000566063894 406085120 /nfs/dbraw/zinc/08/51/20/406085120.db2.gz PRPIRGVCNOOPFF-WFASDCNBSA-N 0 0 315.373 2.283 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](CCOC)c1ccco1 ZINC000636803704 406086265 /nfs/dbraw/zinc/08/62/65/406086265.db2.gz DKJUDJPYWLOYPX-ZDUSSCGKSA-N 0 0 322.405 2.192 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000566479087 406088948 /nfs/dbraw/zinc/08/89/48/406088948.db2.gz XECHHPFIKUCLPG-SFHVURJKSA-N 0 0 322.449 2.268 10 30 DEEERN C[C@@H](NC(=O)Cc1cccc(C#N)c1)[C@H](O)Cc1ccccc1 ZINC000532637465 406090511 /nfs/dbraw/zinc/09/05/11/406090511.db2.gz HYNADTHCXQKMPY-RDTXWAMCSA-N 0 0 308.381 2.209 10 30 DEEERN C=CCCCCCNC(=O)Cn1c2ccccc2n(C)c1=O ZINC000567121061 406094250 /nfs/dbraw/zinc/09/42/50/406094250.db2.gz XRNVEJYWDLLJSA-UHFFFAOYSA-N 0 0 301.390 2.203 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC1(CO)CC2(CCC2)C1 ZINC000567448665 406096781 /nfs/dbraw/zinc/09/67/81/406096781.db2.gz STEIZCHTMNKFLZ-HUUCEWRRSA-N 0 0 322.449 2.210 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC1(CO)CC2(CCC2)C1 ZINC000567448663 406096826 /nfs/dbraw/zinc/09/68/26/406096826.db2.gz STEIZCHTMNKFLZ-CABCVRRESA-N 0 0 322.449 2.210 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](CC)[C@@H]1CCCO1 ZINC000636863803 406104622 /nfs/dbraw/zinc/10/46/22/406104622.db2.gz DDSVQUPQKWLMHI-KGLIPLIRSA-N 0 0 310.438 2.169 10 30 DEEERN CC(C)N(Cc1ccccc1)C(=O)C(=O)N(C)C[C@@H](C)C#N ZINC000459787232 406045144 /nfs/dbraw/zinc/04/51/44/406045144.db2.gz OXUGBPPZBXQWHP-AWEZNQCLSA-N 0 0 301.390 2.042 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1C[C@H](C)C[C@@H]1C ZINC000562787736 406055571 /nfs/dbraw/zinc/05/55/71/406055571.db2.gz LKNDGTPWPCNXIY-NEPJUHHUSA-N 0 0 315.425 2.193 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N1CC[C@@](C)(c2ccccc2)C1 ZINC000459819146 406057994 /nfs/dbraw/zinc/05/79/94/406057994.db2.gz SWSVNAIKLNBNKO-LJQANCHMSA-N 0 0 312.413 2.377 10 30 DEEERN C=CCCCCCNC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000563372641 406060175 /nfs/dbraw/zinc/06/01/75/406060175.db2.gz CZVFYXUUADJGNX-OAHLLOKOSA-N 0 0 307.438 2.387 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](COC)c1ccco1 ZINC000636728119 406063867 /nfs/dbraw/zinc/06/38/67/406063867.db2.gz QPQZKJXEBZHARR-ZDUSSCGKSA-N 0 0 322.405 2.192 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1OC ZINC000636738898 406068088 /nfs/dbraw/zinc/06/80/88/406068088.db2.gz FVCYQYPZUXOZID-KBPBESRZSA-N 0 0 310.438 2.169 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC1(C)Cc2ccccc2C1 ZINC000564888344 406068467 /nfs/dbraw/zinc/06/84/67/406068467.db2.gz WWXJGRASGMKFME-HOTGVXAUSA-N 0 0 300.402 2.434 10 30 DEEERN C=CCC[C@H]1NC(=O)N([C@@H]2CCN(c3ccc(F)cc3)C2)C1=O ZINC000515525728 406072202 /nfs/dbraw/zinc/07/22/02/406072202.db2.gz YVZNQEWRWRZNGI-HUUCEWRRSA-N 0 0 317.364 2.291 10 30 DEEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CCC(CCF)CC1 ZINC000634340263 406105753 /nfs/dbraw/zinc/10/57/53/406105753.db2.gz HUQQDPGEHOQCPP-UHFFFAOYSA-N 0 0 304.373 2.430 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[C@@H](OCC)C1 ZINC000632424632 406133002 /nfs/dbraw/zinc/13/30/02/406133002.db2.gz SCQMFPGAMYKXJE-CQSZACIVSA-N 0 0 310.438 2.123 10 30 DEEERN C=CCCn1cc(C(=O)Nc2ccnn2CC2CCC2)nn1 ZINC000634467395 406143204 /nfs/dbraw/zinc/14/32/04/406143204.db2.gz DMCCTCOICUOIPL-UHFFFAOYSA-N 0 0 300.366 2.103 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)c1cscn1 ZINC000637004739 406146887 /nfs/dbraw/zinc/14/68/87/406146887.db2.gz VLWZWHYGZDDKNY-NSHDSACASA-N 0 0 309.435 2.429 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000637012002 406149795 /nfs/dbraw/zinc/14/97/95/406149795.db2.gz FMSMYIACAYQASA-KBPBESRZSA-N 0 0 310.438 2.169 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000518761894 406156373 /nfs/dbraw/zinc/15/63/73/406156373.db2.gz WKZFDBHZKWSLKF-HOCLYGCPSA-N 0 0 311.385 2.438 10 30 DEEERN CC(=O)c1ccc(S(=O)(=O)N(C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000632665184 406220223 /nfs/dbraw/zinc/22/02/23/406220223.db2.gz HAPMHCNUXFRQSM-UKRRQHHQSA-N 0 0 306.387 2.202 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cn(C)nc1-c1ccc(C)o1 ZINC000637323145 406259020 /nfs/dbraw/zinc/25/90/20/406259020.db2.gz HZVXVVZZTRCCDD-KGLIPLIRSA-N 0 0 315.373 2.452 10 30 DEEERN CC#CC[C@H](CO)NC(=O)N[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000637354083 406271551 /nfs/dbraw/zinc/27/15/51/406271551.db2.gz LOLXFSFYLJMFSY-BZUAXINKSA-N 0 0 300.402 2.252 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCc1nnc(C(F)F)o1 ZINC000632841019 406285852 /nfs/dbraw/zinc/28/58/52/406285852.db2.gz QPHBLRWJFORPOW-BXKDBHETSA-N 0 0 315.320 2.037 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1-c1nc(C)no1 ZINC000569715496 406294351 /nfs/dbraw/zinc/29/43/51/406294351.db2.gz MPSUYNQAACPUOX-WFASDCNBSA-N 0 0 313.357 2.366 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000569868731 406314974 /nfs/dbraw/zinc/31/49/74/406314974.db2.gz ZLHPLSMIFOOUIE-UHFFFAOYSA-N 0 0 313.401 2.379 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCC(=O)NCc1ccco1 ZINC000632911409 406316633 /nfs/dbraw/zinc/31/66/33/406316633.db2.gz OOWOTXALFYAVFK-UHFFFAOYSA-N 0 0 307.394 2.187 10 30 DEEERN C=CCCCCCNC(=O)N1CCN(CCOC(C)C)CC1 ZINC000570056055 406339506 /nfs/dbraw/zinc/33/95/06/406339506.db2.gz AHWNSCMHYKGJFL-UHFFFAOYSA-N 0 0 311.470 2.485 10 30 DEEERN CC1(C#N)CCN(C(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000541886621 406300990 /nfs/dbraw/zinc/30/09/90/406300990.db2.gz MYBFCBWPCOYFKT-CQSZACIVSA-N 0 0 317.433 2.320 10 30 DEEERN C=C[C@@H]1CCCC[N@@H+]1CC(=O)NCCN1CCc2ccccc21 ZINC000489483758 406410818 /nfs/dbraw/zinc/41/08/18/406410818.db2.gz VWFREUXXYKDSAS-QGZVFWFLSA-N 0 0 313.445 2.206 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H]1CCN1Cc1ccc(OC)cc1 ZINC000635065086 406414951 /nfs/dbraw/zinc/41/49/51/406414951.db2.gz FFTTULIABJAYIA-QGZVFWFLSA-N 0 0 300.402 2.470 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccc(OC)nc1 ZINC000635259788 406478724 /nfs/dbraw/zinc/47/87/24/406478724.db2.gz BXIQNPWPZSGKCO-UHFFFAOYSA-N 0 0 305.378 2.137 10 30 DEEERN C=CCCCCNC(=O)N1CCCC[C@H]1CCS(C)(=O)=O ZINC000490214844 406456854 /nfs/dbraw/zinc/45/68/54/406456854.db2.gz HLYOWTUNQPVIPP-AWEZNQCLSA-N 0 0 316.467 2.342 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(C)nc(C)n1 ZINC000635207668 406460512 /nfs/dbraw/zinc/46/05/12/406460512.db2.gz MRDUFHASZVNPKC-ZIAGYGMSSA-N 0 0 316.405 2.283 10 30 DEEERN N#Cc1cnccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000548490330 406522389 /nfs/dbraw/zinc/52/23/89/406522389.db2.gz LNPPWROCIVVLKM-UHFFFAOYSA-N 0 0 318.384 2.152 10 30 DEEERN C=CCn1c(CC(F)(F)F)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC000574156514 406780625 /nfs/dbraw/zinc/78/06/25/406780625.db2.gz BQWADDFPYZMBBO-MNOVXSKESA-N 0 0 318.343 2.430 10 30 DEEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ncccc1F ZINC000554605353 406816481 /nfs/dbraw/zinc/81/64/81/406816481.db2.gz BONGVKJMAFKWCH-MRXNPFEDSA-N 0 0 321.352 2.099 10 30 DEEERN CCOc1cc(I)c([N+](=O)[O-])c(C#N)c1 ZINC000575670398 406817040 /nfs/dbraw/zinc/81/70/40/406817040.db2.gz GUOZZIOQQJNKQK-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN COC(=O)Cc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1C#N ZINC000575395923 406809659 /nfs/dbraw/zinc/80/96/59/406809659.db2.gz WOIBDUQLQSCJOQ-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN C=CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](C#N)C1 ZINC000554618569 406818704 /nfs/dbraw/zinc/81/87/04/406818704.db2.gz SDXFJWUDQJOHMG-INIZCTEOSA-N 0 0 323.400 2.092 10 30 DEEERN CCOc1cc(N)c(I)c(CC#N)c1 ZINC000575717927 406823376 /nfs/dbraw/zinc/82/33/76/406823376.db2.gz LSUZGQVAKDYNNR-UHFFFAOYSA-N 0 0 302.115 2.338 10 30 DEEERN C=CCCCCCNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000575813060 406826788 /nfs/dbraw/zinc/82/67/88/406826788.db2.gz SLKAZOHSBDKWNH-HNNXBMFYSA-N 0 0 317.437 2.491 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(NC(=O)CC)ccc1C ZINC000554888054 406827837 /nfs/dbraw/zinc/82/78/37/406827837.db2.gz GDRYSWZOGCQMCO-CYBMUJFWSA-N 0 0 305.378 2.402 10 30 DEEERN C=CCc1cc(CNC(=O)[C@@](C)(CC)CO)cc(OC)c1OC ZINC000577526580 406841915 /nfs/dbraw/zinc/84/19/15/406841915.db2.gz CJQFXLXVLWAHAM-SFHVURJKSA-N 0 0 321.417 2.457 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cccc2c1oc(=O)n2C ZINC000130547187 196089242 /nfs/dbraw/zinc/08/92/42/196089242.db2.gz DYUVHXIJGCLBPP-UHFFFAOYSA-N 0 0 314.263 2.322 10 30 DEEERN N#Cc1cc(Br)ccc1NC(=O)c1ccc(=O)[nH]c1 ZINC000132680463 196275563 /nfs/dbraw/zinc/27/55/63/196275563.db2.gz SPYORPYPXRSPRY-UHFFFAOYSA-N 0 0 318.130 2.261 10 30 DEEERN Cn1ncc(Br)c1[C@@](C)(O)c1ccc(C#N)cc1 ZINC000133081314 196310227 /nfs/dbraw/zinc/31/02/27/196310227.db2.gz FIYFEVPYUVXPKE-ZDUSSCGKSA-N 0 0 306.163 2.310 10 30 DEEERN N#C[C@@]1(Cc2ccc(Br)cc2)CCS(=O)(=O)C1 ZINC000134610281 196406851 /nfs/dbraw/zinc/40/68/51/196406851.db2.gz CMRBCEYDIGREAY-LBPRGKRZSA-N 0 0 314.204 2.320 10 30 DEEERN CCSc1cccc(N[C@H]2CCC(=O)N(C)C2=O)c1C#N ZINC000136676920 196546356 /nfs/dbraw/zinc/54/63/56/196546356.db2.gz SDLOENDZXHKHLR-LBPRGKRZSA-N 0 0 303.387 2.230 10 30 DEEERN COCCCOCCN(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182378251 224913710 /nfs/dbraw/zinc/91/37/10/224913710.db2.gz JPRBGSSVGMMTDL-UHFFFAOYSA-N 0 0 316.401 2.367 10 30 DEEERN N#C[C@@H](NC(=O)c1ccn(-c2ccc(F)cc2F)n1)C1CC1 ZINC000183686784 224927167 /nfs/dbraw/zinc/92/71/67/224927167.db2.gz OIDLSUKETBMUEI-CYBMUJFWSA-N 0 0 302.284 2.182 10 30 DEEERN CCn1cc([C@@H]2CN(C(=O)c3cccc(CC#N)c3)CCO2)cn1 ZINC000191731285 225116021 /nfs/dbraw/zinc/11/60/21/225116021.db2.gz FOKNLZZQGHNFQJ-KRWDZBQOSA-N 0 0 324.384 2.183 10 30 DEEERN O=C(C[C@H]1CCOc2ccccc21)N[C@H]1CCCS(=O)(=O)C1 ZINC000329566645 225898632 /nfs/dbraw/zinc/89/86/32/225898632.db2.gz OWDBPMVPHHALFC-OLZOCXBDSA-N 0 0 323.414 2.477 10 30 DEEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cn1 ZINC000329889062 225942323 /nfs/dbraw/zinc/94/23/23/225942323.db2.gz ZQWTZUZNFHEYET-AHDPXTMNSA-N 0 0 319.405 2.268 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2sccc2C2CC2)CCN1C1CC1 ZINC000370991116 227061129 /nfs/dbraw/zinc/06/11/29/227061129.db2.gz JLFOCGBBEPYODO-CYBMUJFWSA-N 0 0 301.415 2.438 10 30 DEEERN N#C[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCN1C1CC1 ZINC000371328659 227068121 /nfs/dbraw/zinc/06/81/21/227068121.db2.gz XUPOUGIISINORY-QGZVFWFLSA-N 0 0 307.401 2.249 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000408033149 227225890 /nfs/dbraw/zinc/22/58/90/227225890.db2.gz IIKFSNVQAMDRCT-QJPTWQEYSA-N 0 0 303.328 2.069 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000408033150 227226243 /nfs/dbraw/zinc/22/62/43/227226243.db2.gz IIKFSNVQAMDRCT-SDDRHHMPSA-N 0 0 303.328 2.069 10 30 DEEERN N#Cc1ccc(N[C@H]2CCN(c3c(F)cccc3F)C2)nn1 ZINC000301961077 230005598 /nfs/dbraw/zinc/00/55/98/230005598.db2.gz MNEKWBHTWLTORP-NSHDSACASA-N 0 0 301.300 2.317 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccn(C2CCSCC2)n1 ZINC000633863370 422120173 /nfs/dbraw/zinc/12/01/73/422120173.db2.gz SWIMKYCNQRBFQB-OLZOCXBDSA-N 0 0 307.419 2.481 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2ccc(-c3cnn(C)c3)nn2)C1 ZINC000626544046 422563348 /nfs/dbraw/zinc/56/33/48/422563348.db2.gz DTLNXDBDRLDMJE-LBPRGKRZSA-N 0 0 312.377 2.307 10 30 DEEERN C[C@H]1C[C@H]1CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000358700403 424824719 /nfs/dbraw/zinc/82/47/19/424824719.db2.gz XMUSCNAUUYLITF-QWRGUYRKSA-N 0 0 313.336 2.661 10 30 DEEERN N#Cc1ccc(-n2ccc(NCc3ncccn3)n2)c(Cl)c1 ZINC000359041171 424825853 /nfs/dbraw/zinc/82/58/53/424825853.db2.gz XJXLYHKFJOLKLH-UHFFFAOYSA-N 0 0 310.748 2.799 10 30 DEEERN Cc1cc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)nnc1C ZINC000359502716 424829805 /nfs/dbraw/zinc/82/98/05/424829805.db2.gz VOKXKKKKHALQCR-QGZVFWFLSA-N 0 0 324.384 3.007 10 30 DEEERN Cc1c(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)ccn1C ZINC000195002336 424880376 /nfs/dbraw/zinc/88/03/76/424880376.db2.gz DKLPTRPVQNLLCR-GOSISDBHSA-N 0 0 322.412 2.356 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCCC[C@@H]2C(F)F)s1 ZINC000337683346 424931966 /nfs/dbraw/zinc/93/19/66/424931966.db2.gz IYVNTMYPCBBHOC-SECBINFHSA-N 0 0 301.362 3.001 10 30 DEEERN C=CCCCCCNC(=O)Nc1ccc(-c2cnn(C)c2)nn1 ZINC000579727944 424964616 /nfs/dbraw/zinc/96/46/16/424964616.db2.gz CPOZRQNCUCCDGU-UHFFFAOYSA-N 0 0 314.393 2.745 10 30 DEEERN C=CCCCCNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000435096876 425027133 /nfs/dbraw/zinc/02/71/33/425027133.db2.gz PIAIIUVWKUODGG-UHFFFAOYSA-N 0 0 319.405 2.917 10 30 DEEERN Cc1nn(-c2ccccc2)c(C)c1CNc1nc(C)cc(C#N)n1 ZINC000439095874 425037138 /nfs/dbraw/zinc/03/71/38/425037138.db2.gz BRBFYJLZYJZCGX-UHFFFAOYSA-N 0 0 318.384 3.071 10 30 DEEERN COC(=O)C1(NC(=O)Cc2cccc(C#N)c2)CCCCCC1 ZINC000531149180 267355789 /nfs/dbraw/zinc/35/57/89/267355789.db2.gz FBNPOGQRXKDOCQ-UHFFFAOYSA-N 0 0 314.385 2.483 10 30 DEEERN N#Cc1cccc(CC(=O)N2CC[C@@H](OCc3ccccn3)C2)c1 ZINC000532266849 268273803 /nfs/dbraw/zinc/27/38/03/268273803.db2.gz AALZUXCKMQSREJ-GOSISDBHSA-N 0 0 321.380 2.313 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1 ZINC000531387582 268277589 /nfs/dbraw/zinc/27/75/89/268277589.db2.gz CDXKUOGHILKGOR-UHFFFAOYSA-N 0 0 313.744 2.492 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ncn(Cc3ccccc3)n2)c1 ZINC000530907654 268278887 /nfs/dbraw/zinc/27/88/87/268278887.db2.gz KBGSYGCPJSOEFW-UHFFFAOYSA-N 0 0 317.352 2.379 10 30 DEEERN C=CC[C@H](C)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000135047553 275434031 /nfs/dbraw/zinc/43/40/31/275434031.db2.gz KGHMVFAEKDPIOU-HZUKXOBISA-N 0 0 304.365 2.426 10 30 DEEERN C=CCN(C)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000155692966 275743883 /nfs/dbraw/zinc/74/38/83/275743883.db2.gz KXFCBDRSYSKVND-DZGCQCFKSA-N 0 0 321.808 2.439 10 30 DEEERN C#CCCCCC(=O)N1CCNC(=O)[C@@H]1c1ccc(F)cc1C ZINC000183699091 276775674 /nfs/dbraw/zinc/77/56/74/276775674.db2.gz AIIVECIFGISXEE-KRWDZBQOSA-N 0 0 316.376 2.327 10 30 DEEERN CC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)cn2C)c2ccccc21 ZINC000368442659 277004482 /nfs/dbraw/zinc/00/44/82/277004482.db2.gz PQHMJOHMMGYWMO-OAHLLOKOSA-N 0 0 322.368 2.124 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000288327001 277669689 /nfs/dbraw/zinc/66/96/89/277669689.db2.gz XXCVYINYGWRPQJ-DZJNRPSUSA-N 0 0 301.430 2.437 10 30 DEEERN C=CCCS(=O)(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000183193328 277834134 /nfs/dbraw/zinc/83/41/34/277834134.db2.gz IFYQLFWNIKVKHQ-CYBMUJFWSA-N 0 0 324.450 2.047 10 30 DEEERN COc1cccc2sc(NC(=O)Cn3ccnc3C#N)nc21 ZINC000179864706 278043888 /nfs/dbraw/zinc/04/38/88/278043888.db2.gz SPNFFXIVAVWCLP-UHFFFAOYSA-N 0 0 313.342 2.012 10 30 DEEERN CC(C)C[C@@H]1CCCCN1C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329488445 279017475 /nfs/dbraw/zinc/01/74/75/279017475.db2.gz GZNDGWKEPFDBAL-SOUVJXGZSA-N 0 0 321.425 2.033 10 30 DEEERN CCO[C@H]1C[C@H](NC(=O)c2ccc(C#N)n2C)C12CCCC2 ZINC000449984871 279931699 /nfs/dbraw/zinc/93/16/99/279931699.db2.gz AEXKGJMHXKCTEH-GJZGRUSLSA-N 0 0 301.390 2.364 10 30 DEEERN O[C@]1(C(F)(F)F)CCN(c2c(F)c(F)nc(F)c2F)C1 ZINC000301600755 280449064 /nfs/dbraw/zinc/44/90/64/280449064.db2.gz IUYCYJWRJLOOOM-SECBINFHSA-N 0 0 304.165 2.142 10 30 DEEERN CC[C@]1(C)CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)CCO1 ZINC000328869829 288445345 /nfs/dbraw/zinc/44/53/45/288445345.db2.gz HSHBBHKQSPHPBT-XNRPHZJLSA-N 0 0 309.410 2.299 10 30 DEEERN C[C@@H]1CSCCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)C1 ZINC000328880009 297174306 /nfs/dbraw/zinc/17/43/06/297174306.db2.gz LQDCZFPICVJKHU-ZKYQVNSYSA-N 0 0 311.451 2.483 10 30 DEEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CCc2sccc2[C@H]1C ZINC000282990606 298277176 /nfs/dbraw/zinc/27/71/76/298277176.db2.gz MXFVJBZDWDASLO-GHMZBOCLSA-N 0 0 313.448 2.146 10 30 DEEERN N#CC1CCN(S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000408113340 303147621 /nfs/dbraw/zinc/14/76/21/303147621.db2.gz RLUOWCKNFKHIFF-UHFFFAOYSA-N 0 0 319.308 2.025 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000570816083 332822462 /nfs/dbraw/zinc/82/24/62/332822462.db2.gz KAWREJAKJXCKBO-UHFFFAOYSA-N 0 0 324.402 2.156 10 30 DEEERN C=C(C)Cn1c(N(C)C[C@H]2CCCO2)nnc1[C@@]1(C)CCCO1 ZINC000517294897 331632438 /nfs/dbraw/zinc/63/24/38/331632438.db2.gz AGOYBEVTQMPUTF-RHSMWYFYSA-N 0 0 320.437 2.495 10 30 DEEERN C[C@@H]1C[C@@H](CC(=O)N2CCN(C(=O)CC#N)CC2)CC(C)(C)C1 ZINC000408059775 331745239 /nfs/dbraw/zinc/74/52/39/331745239.db2.gz BZLXYSVBNGDUIU-CABCVRRESA-N 0 0 319.449 2.423 10 30 DEEERN C=CCn1c(-c2scnc2C)nnc1N(C)CCCOC ZINC000569604290 332199079 /nfs/dbraw/zinc/19/90/79/332199079.db2.gz OIALZRPPVIWUKA-UHFFFAOYSA-N 0 0 307.423 2.369 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000584286966 332213581 /nfs/dbraw/zinc/21/35/81/332213581.db2.gz PLQBJCMYRSWHMM-YOEHRIQHSA-N 0 0 322.368 2.065 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000566275489 332307595 /nfs/dbraw/zinc/30/75/95/332307595.db2.gz CPIPIVXYAIVJIZ-YJNKXOJESA-N 0 0 323.433 2.404 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)CNC(=O)c1cccnc1 ZINC000152851846 332329697 /nfs/dbraw/zinc/32/96/97/332329697.db2.gz QDPRKKPXMKIKFI-UHFFFAOYSA-N 0 0 323.396 2.069 10 30 DEEERN CC1CC(C#N)(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000531557432 333536432 /nfs/dbraw/zinc/53/64/32/333536432.db2.gz QVPUKPWLMFBHRT-UHFFFAOYSA-N 0 0 317.433 2.177 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1scnc1C(F)(F)F ZINC000519641220 335884365 /nfs/dbraw/zinc/88/43/65/335884365.db2.gz LTQCRJCCUBRDBD-YUMQZZPRSA-N 0 0 306.309 2.483 10 30 DEEERN N#C[C@H]1CN(C(=O)Nc2cc(F)c(F)cc2F)CCN1C1CC1 ZINC000362984852 336817020 /nfs/dbraw/zinc/81/70/20/336817020.db2.gz XNVVTXUJWINUEK-JTQLQIEISA-N 0 0 324.306 2.308 10 30 DEEERN N#C[C@H]1CN(C(=O)Cc2coc3ccccc23)CCN1C1CC1 ZINC000375803152 337019989 /nfs/dbraw/zinc/01/99/89/337019989.db2.gz ZBVUZQQEQBXGJH-HNNXBMFYSA-N 0 0 309.369 2.174 10 30 DEEERN C=CCOCCCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000173078972 337132034 /nfs/dbraw/zinc/13/20/34/337132034.db2.gz CPGWHQFTVYPDNT-GJZGRUSLSA-N 0 0 313.463 2.482 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000583750161 337329170 /nfs/dbraw/zinc/32/91/70/337329170.db2.gz ZEVHZFFNEDKVEM-OCCSQVGLSA-N 0 0 319.361 2.470 10 30 DEEERN CCOc1ncc(Br)cc1[C@]1(C=O)CCOC1 ZINC000584632719 337377165 /nfs/dbraw/zinc/37/71/65/337377165.db2.gz WJWARFVRHZDLNA-LBPRGKRZSA-N 0 0 300.152 2.100 10 30 DEEERN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC000571770694 337575701 /nfs/dbraw/zinc/57/57/01/337575701.db2.gz RETFODDLAMOUGU-KBPBESRZSA-N 0 0 315.421 2.079 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1cccnc1)C1CC1 ZINC000514858367 337972303 /nfs/dbraw/zinc/97/23/03/337972303.db2.gz UOLLHKUWFKDXBP-BPUTZDHNSA-N 0 0 301.390 2.423 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnc([C@H]2CCCO2)s1 ZINC000514931871 337974164 /nfs/dbraw/zinc/97/41/64/337974164.db2.gz AWGGGNKBOHVZOI-SDDRHHMPSA-N 0 0 308.403 2.316 10 30 DEEERN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC2)c1 ZINC000430496070 338107904 /nfs/dbraw/zinc/10/79/04/338107904.db2.gz FURPHXUSVGCBNU-JKSUJKDBSA-N 0 0 314.385 2.495 10 30 DEEERN C=CCC(C)(C)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000452244907 338760384 /nfs/dbraw/zinc/76/03/84/338760384.db2.gz JPGXTLCWYRWELS-GFCCVEGCSA-N 0 0 307.415 2.276 10 30 DEEERN CO[C@@H](C)c1cccc(NC(=O)C(=O)N2CCC(C#N)CC2)c1 ZINC000177437968 340440396 /nfs/dbraw/zinc/44/03/96/340440396.db2.gz XLKFJFYPRQLCAQ-LBPRGKRZSA-N 0 0 315.373 2.095 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CCCC[C@@H](C)C1 ZINC000517294957 340467564 /nfs/dbraw/zinc/46/75/64/340467564.db2.gz JAHSEALVRPFHGH-GFCCVEGCSA-N 0 0 315.425 2.194 10 30 DEEERN N#CCC1CCN(C(=O)Cn2cc(-c3ccccc3)nn2)CC1 ZINC000541985505 340992349 /nfs/dbraw/zinc/99/23/49/340992349.db2.gz ZKQCENHHDWIZIO-UHFFFAOYSA-N 0 0 309.373 2.097 10 30 DEEERN C[C@@H]1Cc2cc(S(=O)(=O)NC(C)(C)C#N)cc(Cl)c2O1 ZINC000543637232 341051890 /nfs/dbraw/zinc/05/18/90/341051890.db2.gz CTLBREBMZAXSCT-MRVPVSSYSA-N 0 0 314.794 2.244 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000545929723 341146875 /nfs/dbraw/zinc/14/68/75/341146875.db2.gz PYJHLVPZVIEXIE-DIFFPNOSSA-N 0 0 315.373 2.282 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC000546639106 341176622 /nfs/dbraw/zinc/17/66/22/341176622.db2.gz ZGJQURXOLYIDRZ-GFCCVEGCSA-N 0 0 307.415 2.235 10 30 DEEERN C=CCn1cc(CNC(=O)N[C@@H]2c3ccccc3C[C@H]2C)nn1 ZINC000564322746 341218008 /nfs/dbraw/zinc/21/80/08/341218008.db2.gz HRTGIWFOJWSAHM-WBMJQRKESA-N 0 0 311.389 2.197 10 30 DEEERN COc1ccccc1NC(=O)CN(CCC#N)Cc1ccccn1 ZINC000081159825 341280499 /nfs/dbraw/zinc/28/04/99/341280499.db2.gz YPAUWMNSWVSBEY-UHFFFAOYSA-N 0 0 324.384 2.445 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@H](n2cncn2)C1 ZINC000555191420 341476883 /nfs/dbraw/zinc/47/68/83/341476883.db2.gz SXPRKPPKFOJMQS-AWEZNQCLSA-N 0 0 315.425 2.411 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(N2CCCC2)nc1 ZINC000566094203 341547570 /nfs/dbraw/zinc/54/75/70/341547570.db2.gz AMOSWDBZVMYBHN-ZFWWWQNUSA-N 0 0 316.405 2.394 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C(=O)NC)ccc1C ZINC000566793542 341568181 /nfs/dbraw/zinc/56/81/81/341568181.db2.gz QVZMEGYGSNQASR-ZFWWWQNUSA-N 0 0 317.389 2.067 10 30 DEEERN C=CCn1cc(CNC(=O)c2sc(C(C)C)nc2C)nn1 ZINC000572993187 341712641 /nfs/dbraw/zinc/71/26/41/341712641.db2.gz RNKOQLXBUXVCAJ-UHFFFAOYSA-N 0 0 305.407 2.282 10 30 DEEERN C=CCCOCCNC(=O)NC[C@H]1CSc2ccccc2O1 ZINC000576342762 341841327 /nfs/dbraw/zinc/84/13/27/341841327.db2.gz YEDNZGIGQOOCOK-ZDUSSCGKSA-N 0 0 322.430 2.432 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)Cc1ccc(C)c(C)c1 ZINC000576393322 341843852 /nfs/dbraw/zinc/84/38/52/341843852.db2.gz KDZZGVBSNLNOIJ-HOTGVXAUSA-N 0 0 309.431 2.314 10 30 DEEERN C=CCCCCCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000576480742 341848761 /nfs/dbraw/zinc/84/87/61/341848761.db2.gz ZUIIFLFEFDRBDQ-UHFFFAOYSA-N 0 0 313.379 2.401 10 30 DEEERN Cc1cc(C#N)nc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1 ZINC000577522570 341915480 /nfs/dbraw/zinc/91/54/80/341915480.db2.gz MJTXBOYQGKLMSP-ZDUSSCGKSA-N 0 0 315.421 2.034 10 30 DEEERN COc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(C)c1 ZINC000371620341 534106924 /nfs/dbraw/zinc/10/69/24/534106924.db2.gz HUVLONGTCLLJSX-CQSZACIVSA-N 0 0 314.389 2.208 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@H](O)Cc1ccccc1 ZINC000487654485 534317280 /nfs/dbraw/zinc/31/72/80/534317280.db2.gz CNQJRLIKBBZMAM-JZXOWHBKSA-N 0 0 303.402 2.078 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N(CC)CCCC ZINC000453415306 534427160 /nfs/dbraw/zinc/42/71/60/534427160.db2.gz DIRDZUUGFRDTMM-UHFFFAOYSA-N 0 0 303.414 2.194 10 30 DEEERN CCN(CCc1nccs1)C(=O)COc1ccccc1C#N ZINC000131418384 521174366 /nfs/dbraw/zinc/17/43/66/521174366.db2.gz JXNNRFMKPQIIPW-UHFFFAOYSA-N 0 0 315.398 2.485 10 30 DEEERN C=CCC(C)(C)CNC(=O)NC1(CO)Cc2ccccc2C1 ZINC000458814948 534547298 /nfs/dbraw/zinc/54/72/98/534547298.db2.gz WBOUTHLFVIWLKT-UHFFFAOYSA-N 0 0 302.418 2.418 10 30 DEEERN Cc1cccc(-c2noc(CS(=O)(=O)CCCC#N)n2)c1 ZINC000190908410 534563880 /nfs/dbraw/zinc/56/38/80/534563880.db2.gz LWMTVABSILJNPM-UHFFFAOYSA-N 0 0 305.359 2.264 10 30 DEEERN N#CC1(c2ccc(C(=O)N3C[C@@H]4CC[C@H](O)C[C@H]4C3)cc2)CC1 ZINC000333274941 534574301 /nfs/dbraw/zinc/57/43/01/534574301.db2.gz LEVRNSBZBPZHJR-ZOBUZTSGSA-N 0 0 310.397 2.475 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000456262436 534570766 /nfs/dbraw/zinc/57/07/66/534570766.db2.gz DNNKNIHWJZVFMZ-VNHYZAJKSA-N 0 0 307.777 2.493 10 30 DEEERN Cn1c(CNC(=O)c2cccc(F)c2C#N)nnc1C1CCC1 ZINC000187959386 534690303 /nfs/dbraw/zinc/69/03/03/534690303.db2.gz VWJUKNCZKPPLOX-UHFFFAOYSA-N 0 0 313.336 2.023 10 30 DEEERN CN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1ccnc1C#N ZINC000124019905 523269684 /nfs/dbraw/zinc/26/96/84/523269684.db2.gz ASCXWHCLFZRDQD-UHFFFAOYSA-N 0 0 320.299 2.015 10 30 DEEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCC[C@@H]1CCOC1 ZINC000456761561 534765863 /nfs/dbraw/zinc/76/58/63/534765863.db2.gz KTPHVPCMYDCQBW-CXAGYDPISA-N 0 0 324.421 2.181 10 30 DEEERN N#Cc1ccccc1OC1CCC(NS(=O)(=O)C2CC2)CC1 ZINC000329721457 534816833 /nfs/dbraw/zinc/81/68/33/534816833.db2.gz DXMGMYKJJDDHJS-UHFFFAOYSA-N 0 0 320.414 2.330 10 30 DEEERN CC#CCCCC(=O)N[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000376947177 526301558 /nfs/dbraw/zinc/30/15/58/526301558.db2.gz GRZDNUKIFANNCJ-AWEZNQCLSA-N 0 0 314.385 2.110 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)C/C=C/c2cccc(F)c2)C1=O ZINC000341644810 526459582 /nfs/dbraw/zinc/45/95/82/526459582.db2.gz RIMLXRJORXGTOQ-BIENSFFJSA-N 0 0 316.376 2.474 10 30 DEEERN C=CCN1CC[C@H](N(C)Cc2cncn2Cc2ccccc2)C1=O ZINC000337227296 526501120 /nfs/dbraw/zinc/50/11/20/526501120.db2.gz PZYACVRAXHSEBJ-SFHVURJKSA-N 0 0 324.428 2.150 10 30 DEEERN C=C(C)CN(C)S(=O)(=O)c1ccccc1Cn1ccnc1 ZINC000443039440 526505048 /nfs/dbraw/zinc/50/50/48/526505048.db2.gz AWKJLFRNXVQATL-UHFFFAOYSA-N 0 0 305.403 2.128 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)SCc1nnnn1C(C)C ZINC000176913897 526539563 /nfs/dbraw/zinc/53/95/63/526539563.db2.gz QOOMLFKDOYDXSI-GFCCVEGCSA-N 0 0 311.455 2.300 10 30 DEEERN C=CCNC(=O)CNC(=O)N1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000373191631 526549265 /nfs/dbraw/zinc/54/92/65/526549265.db2.gz PRJXRAVLOLILBG-INIZCTEOSA-N 0 0 315.417 2.452 10 30 DEEERN C#CCC(C)(C)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000184327743 526667160 /nfs/dbraw/zinc/66/71/60/526667160.db2.gz LTWDDYIEAFUCRE-CYBMUJFWSA-N 0 0 305.399 2.071 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000376625245 526670613 /nfs/dbraw/zinc/67/06/13/526670613.db2.gz AIJNACQGNJHICA-UHFFFAOYSA-N 0 0 322.408 2.024 10 30 DEEERN C#CCC1(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CCCCC1 ZINC000373761692 526675516 /nfs/dbraw/zinc/67/55/16/526675516.db2.gz AIBAKYWYNLADAR-KFWWJZLASA-N 0 0 302.418 2.086 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CC[S@@](=O)C[C@H]1c1cnn(CC)c1 ZINC000331117194 526708172 /nfs/dbraw/zinc/70/81/72/526708172.db2.gz DZZJQBFHGXLXIR-LIEFOEBCSA-N 0 0 323.462 2.137 10 30 DEEERN C=C(C)Cn1c(C2CC2)nnc1N(C[C@H]1CCC(=O)N1)C(C)C ZINC000414541970 526724271 /nfs/dbraw/zinc/72/42/71/526724271.db2.gz QTGRELABZOIXED-CQSZACIVSA-N 0 0 317.437 2.225 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1CCCO1 ZINC000295886789 526739237 /nfs/dbraw/zinc/73/92/37/526739237.db2.gz FQSYHOYNJIYCTG-UONOGXRCSA-N 0 0 306.410 2.321 10 30 DEEERN C=C(C)[C@@H](CC(=O)Nc1cccnc1OCCOC)OCC ZINC000339302535 526751703 /nfs/dbraw/zinc/75/17/03/526751703.db2.gz CUMIWHFFMYVTBJ-CQSZACIVSA-N 0 0 308.378 2.417 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)OC(C)C ZINC000362435284 526763930 /nfs/dbraw/zinc/76/39/30/526763930.db2.gz ICJUNHKOTAGQHA-KKUMJFAQSA-N 0 0 311.422 2.450 10 30 DEEERN C=CCOCCNC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000371674329 526776091 /nfs/dbraw/zinc/77/60/91/526776091.db2.gz FRYRDDWMKNOSJO-UONOGXRCSA-N 0 0 308.378 2.080 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCOC[C@@H]1C ZINC000432429582 526829951 /nfs/dbraw/zinc/82/99/51/526829951.db2.gz GOQQBAQCSFMRMI-WFASDCNBSA-N 0 0 305.374 2.415 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000373203142 526839703 /nfs/dbraw/zinc/83/97/03/526839703.db2.gz JVUOGJQWBPCYET-NVXWUHKLSA-N 0 0 315.417 2.148 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(N(C)C)cc1 ZINC000280767343 526849057 /nfs/dbraw/zinc/84/90/57/526849057.db2.gz NYMKDERXIRYTJD-XJKSGUPXSA-N 0 0 324.446 2.012 10 30 DEEERN C=C(CNC(=O)N1CCN(CC(F)F)CC1)c1ccccc1 ZINC000358586416 526868199 /nfs/dbraw/zinc/86/81/99/526868199.db2.gz JJXYHWKSLUJNAY-UHFFFAOYSA-N 0 0 309.360 2.292 10 30 DEEERN C=CCOc1ccc(CN2CCS(=O)(=O)CC[C@H]2C)cc1 ZINC000432798192 526870281 /nfs/dbraw/zinc/87/02/81/526870281.db2.gz HQYYWFYMFLZDSZ-CQSZACIVSA-N 0 0 309.431 2.260 10 30 DEEERN C=CCOc1ccc(CNC(=O)N2CC[C@@H](O)C2(C)C)cc1 ZINC000361617817 526877940 /nfs/dbraw/zinc/87/79/40/526877940.db2.gz YGGHHTGAYZILMK-OAHLLOKOSA-N 0 0 304.390 2.306 10 30 DEEERN C=C(CSc1nnc(-c2ccccn2)n1C)C(=O)OCC ZINC000191199845 526884293 /nfs/dbraw/zinc/88/42/93/526884293.db2.gz FSFZJRRHDYIDSL-UHFFFAOYSA-N 0 0 304.375 2.089 10 30 DEEERN C#CCNC(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000371866407 527005832 /nfs/dbraw/zinc/00/58/32/527005832.db2.gz JOYMCMRVUCRUJG-OAHLLOKOSA-N 0 0 314.776 2.494 10 30 DEEERN C=CCSc1ccccc1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000428141389 527008114 /nfs/dbraw/zinc/00/81/14/527008114.db2.gz IBPGSPBNFNMQNX-CQSZACIVSA-N 0 0 320.458 2.103 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N1CCC(Oc2cnccn2)CC1 ZINC000374186517 527039403 /nfs/dbraw/zinc/03/94/03/527039403.db2.gz HYHUPBTUDVCLOR-CYBMUJFWSA-N 0 0 304.394 2.384 10 30 DEEERN C=CC[C@@H](CC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000281502022 527053614 /nfs/dbraw/zinc/05/36/14/527053614.db2.gz KWUVARLFRBZQED-SNVBAGLBSA-N 0 0 314.363 2.236 10 30 DEEERN C=CCC1(C(=O)NC[C@@H](CO)Cc2ccccc2)CCOCC1 ZINC000424679986 527053937 /nfs/dbraw/zinc/05/39/37/527053937.db2.gz MFJPFBDLKJFKQS-KRWDZBQOSA-N 0 0 317.429 2.327 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(CC)c(CC)c1 ZINC000341437407 527056366 /nfs/dbraw/zinc/05/63/66/527056366.db2.gz XBRFKFWNHBJRPO-CYBMUJFWSA-N 0 0 318.417 2.051 10 30 DEEERN C#CCO[C@@H](C)C(=O)NCc1cc(F)cc(Br)c1 ZINC000294430173 527073111 /nfs/dbraw/zinc/07/31/11/527073111.db2.gz KWHFREMZHVDMPM-VIFPVBQESA-N 0 0 314.154 2.243 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1sc([C@H]2CCCOC2)nc1C ZINC000345356763 527077606 /nfs/dbraw/zinc/07/76/06/527077606.db2.gz SGAHWWVTOGOLBR-OLZOCXBDSA-N 0 0 324.446 2.260 10 30 DEEERN C#CCO[C@H](C)C(=O)N1CCC[C@H]1Cc1ccccc1OC ZINC000294811715 527079079 /nfs/dbraw/zinc/07/90/79/527079079.db2.gz VHBRRIDVFDZBGL-ZBFHGGJFSA-N 0 0 301.386 2.267 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCSCc1ccccc1C#N ZINC000182892696 527089844 /nfs/dbraw/zinc/08/98/44/527089844.db2.gz IOWBSNYQBWPHST-HNNXBMFYSA-N 0 0 319.430 2.028 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(=O)[nH]c2c(F)cc(C)cc12 ZINC000185922275 527098099 /nfs/dbraw/zinc/09/80/99/527098099.db2.gz UXYOZPIIKIFDHK-JTQLQIEISA-N 0 0 304.321 2.055 10 30 DEEERN C=CC[C@@H](CO)Nc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000182662995 527103524 /nfs/dbraw/zinc/10/35/24/527103524.db2.gz NKOMZQBXHVQZPF-VFFGBVLKSA-N 0 0 306.318 2.130 10 30 DEEERN C#CCOc1ccccc1NC(=O)C[C@@H]1CCOC[C@@H]1OC ZINC000295676730 527132494 /nfs/dbraw/zinc/13/24/94/527132494.db2.gz GPRPZNYDVVHZFD-BBRMVZONSA-N 0 0 303.358 2.079 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000376298610 527161702 /nfs/dbraw/zinc/16/17/02/527161702.db2.gz CVXDAQAINWKYLO-DLBZAZTESA-N 0 0 322.412 2.201 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCOC1(C)C ZINC000296738600 527161870 /nfs/dbraw/zinc/16/18/70/527161870.db2.gz XNNBHSFYTMAODB-HOTGVXAUSA-N 0 0 300.402 2.488 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000375898018 527162031 /nfs/dbraw/zinc/16/20/31/527162031.db2.gz NVGNNXZDNOSSIP-OKZBNKHCSA-N 0 0 307.397 2.274 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@]1(O)CCC[C@H]1C ZINC000298123153 527172168 /nfs/dbraw/zinc/17/21/68/527172168.db2.gz YGCTUDIYKRSMGA-SZVBFZGTSA-N 0 0 314.429 2.471 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC2(C1)CCOCC2 ZINC000368065601 527172494 /nfs/dbraw/zinc/17/24/94/527172494.db2.gz PJENIMLXDUFWLN-QGZVFWFLSA-N 0 0 312.413 2.443 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000410690204 527174305 /nfs/dbraw/zinc/17/43/05/527174305.db2.gz RSQMOGJEHNTEQY-MRXNPFEDSA-N 0 0 322.449 2.219 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](C)c1cccc(OC)c1 ZINC000284310661 527178755 /nfs/dbraw/zinc/17/87/55/527178755.db2.gz YNFOGSUBWGYUFJ-CYBMUJFWSA-N 0 0 304.390 2.297 10 30 DEEERN C=CCCCN(C)C(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000352214996 527184960 /nfs/dbraw/zinc/18/49/60/527184960.db2.gz YJJVQCMIJBIJQG-UHFFFAOYSA-N 0 0 301.390 2.080 10 30 DEEERN C=CCCCNC(=O)C(=O)N(CCc1nccs1)C(C)C ZINC000342484095 527201993 /nfs/dbraw/zinc/20/19/93/527201993.db2.gz SODACGNYPLLJKD-UHFFFAOYSA-N 0 0 309.435 2.005 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(OC)cc(OC)c1Cl ZINC000417338560 527202068 /nfs/dbraw/zinc/20/20/68/527202068.db2.gz YSZJASTUTUUOHS-SECBINFHSA-N 0 0 314.769 2.416 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(OC)cc1OCC1CC1 ZINC000187885188 527208537 /nfs/dbraw/zinc/20/85/37/527208537.db2.gz VWUVBQZABWKXSY-CYBMUJFWSA-N 0 0 305.374 2.151 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000448379648 527210536 /nfs/dbraw/zinc/21/05/36/527210536.db2.gz ZVRSPCYHGWVMQV-JTQLQIEISA-N 0 0 307.419 2.289 10 30 DEEERN C=CC[C@H](CO)Nc1ccc(-c2nc(C)c(C)c(=O)[nH]2)cn1 ZINC000302136933 527211937 /nfs/dbraw/zinc/21/19/37/527211937.db2.gz MZZRXKVPGLGFSP-CYBMUJFWSA-N 0 0 300.362 2.210 10 30 DEEERN C=CCCCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000448037318 527218615 /nfs/dbraw/zinc/21/86/15/527218615.db2.gz CBTYCPLYDFIMHT-UHFFFAOYSA-N 0 0 316.380 2.495 10 30 DEEERN C=CCCCNC(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000448030083 527219014 /nfs/dbraw/zinc/21/90/14/527219014.db2.gz KBBGVHHEJRZWTF-INIZCTEOSA-N 0 0 304.390 2.442 10 30 DEEERN C=CCCCNC(=O)NC[C@](C)(C(=O)OC)c1ccccc1 ZINC000448005939 527220767 /nfs/dbraw/zinc/22/07/67/527220767.db2.gz XMHXSNWPMOFKDF-KRWDZBQOSA-N 0 0 304.390 2.383 10 30 DEEERN C=CCCCNC(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000448007187 527222812 /nfs/dbraw/zinc/22/28/12/527222812.db2.gz HKDITWYHMNIREH-UHFFFAOYSA-N 0 0 323.418 2.215 10 30 DEEERN C=CCn1c(-c2ccccc2F)nnc1N1CCOC[C@@H]1C ZINC000290107651 527274154 /nfs/dbraw/zinc/27/41/54/527274154.db2.gz FJMIPUYQTRLXSQ-LBPRGKRZSA-N 0 0 302.353 2.495 10 30 DEEERN C=CCCN(C)C(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000435318656 527306335 /nfs/dbraw/zinc/30/63/35/527306335.db2.gz HEODVKWGJKSEEB-SNVBAGLBSA-N 0 0 307.419 2.241 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N1CCC[C@H](OC)C1 ZINC000337866670 527319875 /nfs/dbraw/zinc/31/98/75/527319875.db2.gz QRVWICZLTVWIIT-HNNXBMFYSA-N 0 0 316.405 2.458 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000353480322 527385476 /nfs/dbraw/zinc/38/54/76/527385476.db2.gz BSVQEIDONFNGGB-ZFWWWQNUSA-N 0 0 305.422 2.419 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCC(c2nnc(CC)[nH]2)CC1 ZINC000191533718 527390351 /nfs/dbraw/zinc/39/03/51/527390351.db2.gz BTQKDWXSZCNJQM-GFCCVEGCSA-N 0 0 306.410 2.054 10 30 DEEERN C#Cc1ccc(CNC(=O)C2CCN(CC(F)F)CC2)cc1 ZINC000295542643 527433871 /nfs/dbraw/zinc/43/38/71/527433871.db2.gz SGBQLJXBEXQGEM-UHFFFAOYSA-N 0 0 306.356 2.261 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@@H](O)CCc2ccccc2)cc1 ZINC000296848457 527436675 /nfs/dbraw/zinc/43/66/75/527436675.db2.gz LHBLSBRPCQWYDL-IBGZPJMESA-N 0 0 322.408 2.461 10 30 DEEERN C#Cc1cccc(NC(=O)N2CCO[C@@H](c3cnn(CC)c3)C2)c1 ZINC000192002666 527455807 /nfs/dbraw/zinc/45/58/07/527455807.db2.gz LVCXRABACWOGRQ-QGZVFWFLSA-N 0 0 324.384 2.490 10 30 DEEERN C#Cc1cccc(NC(=O)NC2(CO)Cc3ccccc3C2)c1 ZINC000372716313 527456179 /nfs/dbraw/zinc/45/61/79/527456179.db2.gz LDJGKKBZDIAZLY-UHFFFAOYSA-N 0 0 306.365 2.319 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[C@H](C)C1 ZINC000425888290 527491795 /nfs/dbraw/zinc/49/17/95/527491795.db2.gz OWTGHJWMXCBQTJ-VGWMRTNUSA-N 0 0 322.449 2.026 10 30 DEEERN C=CCCn1cc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)nn1 ZINC000424694644 527516113 /nfs/dbraw/zinc/51/61/13/527516113.db2.gz QDNRRLOCQYHBPN-OAHLLOKOSA-N 0 0 318.421 2.418 10 30 DEEERN C=CCN(C(=O)N[C@@H](CC(=O)NC)c1ccccc1)C1CC1 ZINC000431100862 527540555 /nfs/dbraw/zinc/54/05/55/527540555.db2.gz OFGKRUUUXFOWGA-HNNXBMFYSA-N 0 0 301.390 2.224 10 30 DEEERN C=CCN(C(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)C1CC1 ZINC000363836604 527544944 /nfs/dbraw/zinc/54/49/44/527544944.db2.gz VGMBJTOWYLZPTP-HNNXBMFYSA-N 0 0 318.442 2.459 10 30 DEEERN C=CCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000410802218 527555741 /nfs/dbraw/zinc/55/57/41/527555741.db2.gz OOUNUTSAKGMNQI-DOMZBBRYSA-N 0 0 304.365 2.380 10 30 DEEERN C=CCN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000428288086 527567756 /nfs/dbraw/zinc/56/77/56/527567756.db2.gz OVZXIASPTQTASQ-ZNMIVQPWSA-N 0 0 300.406 2.259 10 30 DEEERN C=CCN(C1CC1)S(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000416455294 527580659 /nfs/dbraw/zinc/58/06/59/527580659.db2.gz UJPXTSASLUXBFX-UHFFFAOYSA-N 0 0 305.350 2.005 10 30 DEEERN CCN(CC)C(=O)CCCNC(=O)NCC1CCC(C#N)CC1 ZINC000440989879 528005950 /nfs/dbraw/zinc/00/59/50/528005950.db2.gz OYTHGNNJVXAGEH-UHFFFAOYSA-N 0 0 322.453 2.264 10 30 DEEERN CC(C)C[C@@](C)(C#N)NC(=O)c1cnnn1-c1cccc(F)c1 ZINC000448178382 528424791 /nfs/dbraw/zinc/42/47/91/528424791.db2.gz KDCSYBCLHRHQRF-INIZCTEOSA-N 0 0 315.352 2.465 10 30 DEEERN CCCc1csc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n1 ZINC000373186400 528675593 /nfs/dbraw/zinc/67/55/93/528675593.db2.gz OVNAACQFIODBMZ-ZDUSSCGKSA-N 0 0 319.434 2.300 10 30 DEEERN CC1(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)CCC1 ZINC000184636149 535145760 /nfs/dbraw/zinc/14/57/60/535145760.db2.gz BJWIAUQRLXWGRE-UHFFFAOYSA-N 0 0 310.361 2.451 10 30 DEEERN CCO[C@@H](C)c1noc(CN(C)C(=O)c2sccc2C#N)n1 ZINC000361883641 535736903 /nfs/dbraw/zinc/73/69/03/535736903.db2.gz DGNXIFAPNQFJAR-VIFPVBQESA-N 0 0 320.374 2.372 10 30 DEEERN O=C(Nc1csc(-c2ccccn2)n1)C1(O)CCOCC1 ZINC000330066610 625569782 /nfs/dbraw/zinc/56/97/82/625569782.db2.gz TUENLFIQWMXUKH-UHFFFAOYSA-N 0 0 305.359 2.335 10 30 DEEERN COCCOCc1cc(C(=O)O[C@H](C#N)C2CC2)ccc1F ZINC000177035027 625619219 /nfs/dbraw/zinc/61/92/19/625619219.db2.gz SLZNAWPCBNHXMU-OAHLLOKOSA-N 0 0 307.321 2.448 10 30 DEEERN CC(C)OC[C@@H](O)CON=Cc1ccccc1OC(F)F ZINC000255114850 623464007 /nfs/dbraw/zinc/46/40/07/623464007.db2.gz BMMHBQBVYXQLGM-GFCCVEGCSA-N 0 0 303.305 2.424 10 30 DEEERN C[C@H](C#N)NS(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000255268071 624068912 /nfs/dbraw/zinc/06/89/12/624068912.db2.gz WWYLIPPUZPPJKI-ATJFRQLMSA-N 0 0 315.192 2.251 10 30 DEEERN N#Cc1ccc(Cn2cncc(Br)c2=O)c(F)c1 ZINC000090765652 624116011 /nfs/dbraw/zinc/11/60/11/624116011.db2.gz URYAKUNVSNZOHY-UHFFFAOYSA-N 0 0 308.110 2.065 10 30 DEEERN C=CCCCN(C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000119728458 625057931 /nfs/dbraw/zinc/05/79/31/625057931.db2.gz VPCARAMNUDAXBF-UHFFFAOYSA-N 0 0 303.160 2.409 10 30 DEEERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(CCOc2ccc(C#N)cc2)C1 ZINC000888079251 625060490 /nfs/dbraw/zinc/06/04/90/625060490.db2.gz OSDUUOGOVVTCIL-HZPDHXFCSA-N 0 0 312.373 2.122 10 30 DEEERN CC[C@@H](CC#N)OC(=O)CN(CCc1ccccc1)C(C)=O ZINC000188062050 625074093 /nfs/dbraw/zinc/07/40/93/625074093.db2.gz GJSMUHPWFFLZJI-INIZCTEOSA-N 0 0 302.374 2.313 10 30 DEEERN N#C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000161787387 625182245 /nfs/dbraw/zinc/18/22/45/625182245.db2.gz FRAPPTMBROFPDU-NSHDSACASA-N 0 0 324.134 2.389 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)OC1C[C@H](OC)C[C@@H](OC)C1 ZINC000249172397 625188974 /nfs/dbraw/zinc/18/89/74/625188974.db2.gz CDUBVYDUXZEHCU-XJKCOSOUSA-N 0 0 300.395 2.341 10 30 DEEERN CN(C)C(=O)N1CCC(C(=O)OCC(C)(C)CCC#N)CC1 ZINC000195086477 625773115 /nfs/dbraw/zinc/77/31/15/625773115.db2.gz IYTOWNISLULVHT-UHFFFAOYSA-N 0 0 309.410 2.253 10 30 DEEERN CCCCCCCS(=O)(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000195211697 625780305 /nfs/dbraw/zinc/78/03/05/625780305.db2.gz FVFSXWGTMBHHQE-CYBMUJFWSA-N 0 0 305.440 2.172 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)COc1ccc(O)cc1 ZINC000733827258 633286718 /nfs/dbraw/zinc/28/67/18/633286718.db2.gz NJSVBNLFOSKNQS-ZDUSSCGKSA-N 0 0 321.373 2.127 10 30 DEEERN C=C(COC(=O)c1ccc(-n2cc(C)cn2)cc1)C(=O)OCC ZINC000734029500 633312755 /nfs/dbraw/zinc/31/27/55/633312755.db2.gz NISJQXCYWXSXMX-UHFFFAOYSA-N 0 0 314.341 2.457 10 30 DEEERN C=C(COC(=O)c1ccc(C)c(NC(C)=O)c1)C(=O)OCC ZINC000734027755 633312806 /nfs/dbraw/zinc/31/28/06/633312806.db2.gz XQAJBJJKAPRRNN-UHFFFAOYSA-N 0 0 305.330 2.230 10 30 DEEERN C=C(COC(=O)[C@@H](C)Oc1cccc(C(C)=O)c1)C(=O)OCC ZINC000734028041 633312875 /nfs/dbraw/zinc/31/28/75/633312875.db2.gz CCWRGZOESXEDGM-CYBMUJFWSA-N 0 0 320.341 2.319 10 30 DEEERN C=C(COC(=O)CSCc1c(C)noc1C)C(=O)OCC ZINC000734023312 633317037 /nfs/dbraw/zinc/31/70/37/633317037.db2.gz RKRWFGYISOEVML-UHFFFAOYSA-N 0 0 313.375 2.187 10 30 DEEERN C#CCCN1CCN(C(=O)c2cc3c(cc(F)cc3C)[nH]2)CC1 ZINC000735039899 633452037 /nfs/dbraw/zinc/45/20/37/633452037.db2.gz MAESAVHKQKBGPX-UHFFFAOYSA-N 0 0 313.376 2.397 10 30 DEEERN C=CCOCC(=O)O[C@@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000735350301 633504062 /nfs/dbraw/zinc/50/40/62/633504062.db2.gz PKHJOQWAZJFYDS-OAHLLOKOSA-N 0 0 321.348 2.375 10 30 DEEERN COCCCN(C)C(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000125473930 633767476 /nfs/dbraw/zinc/76/74/76/633767476.db2.gz RHXKHRAZJAJZPG-UHFFFAOYSA-N 0 0 301.346 2.359 10 30 DEEERN C#CCOCCOC(=O)COc1ccc(Cl)c2cccnc12 ZINC000140897430 637289942 /nfs/dbraw/zinc/28/99/42/637289942.db2.gz OJLDPVOHXBHZJD-UHFFFAOYSA-N 0 0 319.744 2.460 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000186658524 637350451 /nfs/dbraw/zinc/35/04/51/637350451.db2.gz IISFZHSFXMBQDU-OAHLLOKOSA-N 0 0 311.447 2.444 10 30 DEEERN C=CCNC(=O)NC(=O)COC(=O)CC/C=C\c1ccccc1 ZINC000738677932 637498380 /nfs/dbraw/zinc/49/83/80/637498380.db2.gz SXEOPVAKOGSUPQ-POHAHGRESA-N 0 0 316.357 2.035 10 30 DEEERN CCC(=NNc1ccc(S(C)(=O)=O)cc1)c1cnn(C)c1 ZINC000741806786 638017064 /nfs/dbraw/zinc/01/70/64/638017064.db2.gz OVLWFPRRPJCNIB-UHFFFAOYSA-N 0 0 306.391 2.050 10 30 DEEERN C=CCOCCCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000742465191 638074058 /nfs/dbraw/zinc/07/40/58/638074058.db2.gz ICVIVXIXYODWOL-UHFFFAOYSA-N 0 0 304.390 2.445 10 30 DEEERN N#C[C@H]1CN(C(=O)Nc2c(F)cc(F)cc2F)CCN1C1CC1 ZINC000743222953 638126816 /nfs/dbraw/zinc/12/68/16/638126816.db2.gz YBCQVLWWBUXDNT-NSHDSACASA-N 0 0 324.306 2.308 10 30 DEEERN C=CCOCCCC(=O)OCC(=O)Nc1cc(F)cc(F)c1 ZINC000745530655 638270090 /nfs/dbraw/zinc/27/00/90/638270090.db2.gz RXVIFXCAIFEJML-UHFFFAOYSA-N 0 0 313.300 2.429 10 30 DEEERN COc1ccc(CNS(=O)(=O)c2ccccc2C)cc1C#N ZINC000746680187 638369090 /nfs/dbraw/zinc/36/90/90/638369090.db2.gz GRWFAGODKBBXDE-UHFFFAOYSA-N 0 0 316.382 2.354 10 30 DEEERN COc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1C#N ZINC000746680682 638369593 /nfs/dbraw/zinc/36/95/93/638369593.db2.gz MZAIMAZOWXJAHS-UHFFFAOYSA-N 0 0 316.382 2.354 10 30 DEEERN COc1ccc(CNC(=O)NCc2cccc(C#N)c2)cc1C#N ZINC000746712877 638372695 /nfs/dbraw/zinc/37/26/95/638372695.db2.gz OOYQIGHLYSJMJQ-UHFFFAOYSA-N 0 0 320.352 2.438 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)Nc1ccnn1C1CCCC1 ZINC000746782380 638377699 /nfs/dbraw/zinc/37/76/99/638377699.db2.gz DFKFZRCSKKRZRF-UHFFFAOYSA-N 0 0 302.378 2.137 10 30 DEEERN CC[C@H]1CN(C(=O)NCc2ccc(OC)c(C#N)c2)C[C@H](C)O1 ZINC000746785776 638377769 /nfs/dbraw/zinc/37/77/69/638377769.db2.gz TXSCFPUPFNNFCA-WFASDCNBSA-N 0 0 317.389 2.276 10 30 DEEERN COCCC(C)(C)NC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747435924 638437711 /nfs/dbraw/zinc/43/77/11/638437711.db2.gz SSRKNPNSTPWRDB-UHFFFAOYSA-N 0 0 305.378 2.181 10 30 DEEERN COc1ccc(CNC(=O)c2csc(C=O)c2)cc1C#N ZINC000747443594 638437791 /nfs/dbraw/zinc/43/77/91/638437791.db2.gz IOLMPLZLICNACX-UHFFFAOYSA-N 0 0 300.339 2.371 10 30 DEEERN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H](C#N)C(C)C)c1 ZINC000747742986 638472640 /nfs/dbraw/zinc/47/26/40/638472640.db2.gz AKLXIBHYJOSPJI-OAHLLOKOSA-N 0 0 317.345 2.308 10 30 DEEERN C[C@@H](CNC(=O)Cc1cccc(C#N)c1)CC1(C)OCCO1 ZINC000749398994 638643881 /nfs/dbraw/zinc/64/38/81/638643881.db2.gz HOELSSQTVXWWJA-CYBMUJFWSA-N 0 0 302.374 2.006 10 30 DEEERN COC(=O)CN(C(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000749397085 638644546 /nfs/dbraw/zinc/64/45/46/638644546.db2.gz MLMPFZPLWCCWDX-UHFFFAOYSA-N 0 0 308.337 2.307 10 30 DEEERN Cn1c2ccccc2n(CN(CCC#N)CC(F)(F)F)c1=O ZINC000749955217 638697727 /nfs/dbraw/zinc/69/77/27/638697727.db2.gz GJWAAJYYTVARSB-UHFFFAOYSA-N 0 0 312.295 2.075 10 30 DEEERN N#Cc1cc(S(=O)(=O)NC[C@@H]2CC2(Cl)Cl)ccc1F ZINC000728579656 639262081 /nfs/dbraw/zinc/26/20/81/639262081.db2.gz LQCZJUFPDQPYAJ-QMMMGPOBSA-N 0 0 323.176 2.169 10 30 DEEERN C#Cc1ccc(C(=O)N[C@@H](CC(=O)OCC)c2ccccc2)cn1 ZINC000728818069 639442938 /nfs/dbraw/zinc/44/29/38/639442938.db2.gz BMAWQJTUQJFWCN-KRWDZBQOSA-N 0 0 322.364 2.487 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccc(C)c(N(C)C)c1)C(C)(C)C ZINC000805146623 639839920 /nfs/dbraw/zinc/83/99/20/639839920.db2.gz IVAFATAJTZSHEG-OAHLLOKOSA-N 0 0 308.447 2.387 10 30 DEEERN C#C[C@@H](NS(=O)(=O)C1=Cc2ccccc2OC1)C(C)(C)C ZINC000805147195 639841743 /nfs/dbraw/zinc/84/17/43/639841743.db2.gz SUAJNOSAGYMQMI-OAHLLOKOSA-N 0 0 305.399 2.387 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccc(C(=O)OCC)cc1)C(C)(C)C ZINC000805147539 639843284 /nfs/dbraw/zinc/84/32/84/639843284.db2.gz ZHLYTWYWEPYFKI-CQSZACIVSA-N 0 0 323.414 2.190 10 30 DEEERN C=CCOc1ccccc1C(=O)O[C@H]1CC[C@H](S(C)(=O)=O)C1 ZINC000752204118 639935260 /nfs/dbraw/zinc/93/52/60/639935260.db2.gz AAOLBNFVAHMXOJ-STQMWFEESA-N 0 0 324.398 2.374 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1nc(C)no1 ZINC000805186127 640110234 /nfs/dbraw/zinc/11/02/34/640110234.db2.gz ZMHVIXUOBICJGH-WFASDCNBSA-N 0 0 312.373 2.373 10 30 DEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1c[nH]cc2nc(C(F)(F)F)nc1-2 ZINC000900944757 642526871 /nfs/dbraw/zinc/52/68/71/642526871.db2.gz IARPKFSZWFCJJU-VXNVDRBHSA-N 0 0 323.278 2.399 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1ccncc1 ZINC000805974860 644064207 /nfs/dbraw/zinc/06/42/07/644064207.db2.gz NYHSPGDFMVAYQN-ZIAGYGMSSA-N 0 0 304.390 2.274 10 30 DEEERN C=CCCCCCCNC(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000806004903 644184808 /nfs/dbraw/zinc/18/48/08/644184808.db2.gz VCXLPTGEXQSDIN-CQSZACIVSA-N 0 0 309.410 2.359 10 30 DEEERN C#CCNC(=O)[C@@H](C)OC(=O)c1cc2cc(Cl)ccc2o1 ZINC000027427908 644828446 /nfs/dbraw/zinc/82/84/46/644828446.db2.gz PKTXCFCEKVLEQR-SECBINFHSA-N 0 0 305.717 2.381 10 30 DEEERN COC(=O)c1ccoc1C(=O)OCc1ccc(C#N)cc1OC ZINC000800267836 645249584 /nfs/dbraw/zinc/24/95/84/645249584.db2.gz SUXSMSUETBYTBA-UHFFFAOYSA-N 0 0 315.281 2.303 10 30 DEEERN C#CCNC(=S)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000800819569 645308799 /nfs/dbraw/zinc/30/87/99/645308799.db2.gz POEGDDFTWDRUTB-UHFFFAOYSA-N 0 0 317.433 2.160 10 30 DEEERN CC(C)Cn1ncc2cc(C(=O)OCCO[C@H](C)C#N)cnc21 ZINC000801832460 645446672 /nfs/dbraw/zinc/44/66/72/645446672.db2.gz LQMIHOKIXZVLRI-GFCCVEGCSA-N 0 0 316.361 2.173 10 30 DEEERN C=C(Cl)CNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000802556011 645534026 /nfs/dbraw/zinc/53/40/26/645534026.db2.gz IVOPKKZXXUBMHN-UHFFFAOYSA-N 0 0 321.686 2.216 10 30 DEEERN C#C[C@@H](C)Oc1ccc(COC(=O)CC2OCCCO2)cc1 ZINC000802810686 645563106 /nfs/dbraw/zinc/56/31/06/645563106.db2.gz AHKPRPRPFDVBJC-CYBMUJFWSA-N 0 0 304.342 2.283 10 30 DEEERN Cc1ncc(COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cn1 ZINC000803425241 645651300 /nfs/dbraw/zinc/65/13/00/645651300.db2.gz HBFHKZBDHLBRFM-MRXNPFEDSA-N 0 0 319.361 2.090 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)Nc1cccc(Cl)c1 ZINC000803697945 645681151 /nfs/dbraw/zinc/68/11/51/645681151.db2.gz YDFQFZIIMBDLPQ-UHFFFAOYSA-N 0 0 303.745 2.485 10 30 DEEERN C#CCC(CC#C)C(=O)OC[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000803699044 645681488 /nfs/dbraw/zinc/68/14/88/645681488.db2.gz OKPQHSDCWVWOFW-INIZCTEOSA-N 0 0 323.392 2.355 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000803699620 645681561 /nfs/dbraw/zinc/68/15/61/645681561.db2.gz JUVONBDRNGZCRT-LLVKDONJSA-N 0 0 319.307 2.498 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C(=O)OC)c1ccc(F)cc1 ZINC000803699312 645681658 /nfs/dbraw/zinc/68/16/58/645681658.db2.gz YSMRIKSKUABJNB-HNNXBMFYSA-N 0 0 302.301 2.246 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000803698543 645681824 /nfs/dbraw/zinc/68/18/24/645681824.db2.gz AZMHXWBGFBLLDV-HNNXBMFYSA-N 0 0 303.402 2.230 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000803698544 645681886 /nfs/dbraw/zinc/68/18/86/645681886.db2.gz AZMHXWBGFBLLDV-OAHLLOKOSA-N 0 0 303.402 2.230 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000803701582 645682356 /nfs/dbraw/zinc/68/23/56/645682356.db2.gz YKZGXXHFBNMYTQ-AWEZNQCLSA-N 0 0 303.402 2.372 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1noc(-c2ccc(OC)cc2)n1 ZINC000803700204 645682518 /nfs/dbraw/zinc/68/25/18/645682518.db2.gz GDVRYVSVWFTDRH-UHFFFAOYSA-N 0 0 324.336 2.451 10 30 DEEERN CC[C@](C)(C#N)C(=O)OCc1noc(-c2ccccc2O)n1 ZINC000803781349 645694596 /nfs/dbraw/zinc/69/45/96/645694596.db2.gz BRYKDALOTQEDKT-OAHLLOKOSA-N 0 0 301.302 2.425 10 30 DEEERN N#Cc1cccc(C2(NC(=O)[C@@H]3CCCC34OCCO4)CC2)c1 ZINC000803806892 645698775 /nfs/dbraw/zinc/69/87/75/645698775.db2.gz CXNVOKMMWKPGLA-HNNXBMFYSA-N 0 0 312.369 2.207 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc2nncn2c1 ZINC000804454348 645773879 /nfs/dbraw/zinc/77/38/79/645773879.db2.gz PUKPVUFIFJGSEN-INIZCTEOSA-N 0 0 304.353 2.094 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cccc2ncnn21 ZINC000804455369 645773975 /nfs/dbraw/zinc/77/39/75/645773975.db2.gz GYWCCOCHPFXMSS-HNNXBMFYSA-N 0 0 304.353 2.094 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC000804454614 645774173 /nfs/dbraw/zinc/77/41/73/645774173.db2.gz ROMWKDHLZFBWKE-YESZJQIVSA-N 0 0 312.413 2.029 10 30 DEEERN C[C@@H](NC(=O)[C@@H]1CCCC12OCCO2)c1ccc(C#N)cc1 ZINC000806424657 645829669 /nfs/dbraw/zinc/82/96/69/645829669.db2.gz SKDCLZRKRWLEKT-DOMZBBRYSA-N 0 0 300.358 2.279 10 30 DEEERN C#CC[C@@H](NC(=O)CO[C@@H](C)c1nccn1C)c1ccccc1 ZINC000807163003 645917545 /nfs/dbraw/zinc/91/75/45/645917545.db2.gz GXBZKVKOCYJBTC-GOEBONIOSA-N 0 0 311.385 2.379 10 30 DEEERN C#CC[C@H](NC(=O)CO[C@@H](C)c1nccn1C)c1ccccc1 ZINC000807163004 645917638 /nfs/dbraw/zinc/91/76/38/645917638.db2.gz GXBZKVKOCYJBTC-HOCLYGCPSA-N 0 0 311.385 2.379 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000807465272 645953036 /nfs/dbraw/zinc/95/30/36/645953036.db2.gz HJBZXRSXUFWVGF-KSZLIROESA-N 0 0 314.429 2.471 10 30 DEEERN C#C[C@H](C)OC(=O)CCNS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000157498622 646539626 /nfs/dbraw/zinc/53/96/26/646539626.db2.gz LLRPUBGLICZWQM-ZDUSSCGKSA-N 0 0 323.414 2.043 10 30 DEEERN C=CCOC(=O)CSc1nncn1-c1ccc(OC)cc1 ZINC000062697244 646742803 /nfs/dbraw/zinc/74/28/03/646742803.db2.gz LBKDCWQDGYXXKZ-UHFFFAOYSA-N 0 0 305.359 2.097 10 30 DEEERN C=C(Cl)COC(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000730316082 646911701 /nfs/dbraw/zinc/91/17/01/646911701.db2.gz UKOFRVHEPPCKIO-LLVKDONJSA-N 0 0 303.811 2.374 10 30 DEEERN C[C@H](OC(=O)c1cc(C#N)cn1C)c1cn(-c2ccccc2)nn1 ZINC000151922023 647049329 /nfs/dbraw/zinc/04/93/29/647049329.db2.gz RQESJNVNURZUCX-LBPRGKRZSA-N 0 0 321.340 2.395 10 30 DEEERN C#CCOc1cccc(OC(=O)[C@H]2CCCN2C(=O)C(C)C)c1 ZINC000730501203 647310924 /nfs/dbraw/zinc/31/09/24/647310924.db2.gz FWQZPIZRZCUDHC-MRXNPFEDSA-N 0 0 315.369 2.251 10 30 DEEERN C#CCOc1cccc([C@@H](C)OC(=O)CCN2CCCC2=O)c1 ZINC000730703852 647382911 /nfs/dbraw/zinc/38/29/11/647382911.db2.gz PTHRHBHIGVHMCD-CQSZACIVSA-N 0 0 315.369 2.315 10 30 DEEERN N#Cc1ccsc1C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000732100014 647540445 /nfs/dbraw/zinc/54/04/45/647540445.db2.gz LKSCXIQXRRUOJH-OAQYLSRUSA-N 0 0 318.423 2.298 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H](C)Cc1ccccc1 ZINC000732584858 647627023 /nfs/dbraw/zinc/62/70/23/647627023.db2.gz VJOHVJPLULPUNM-GJZGRUSLSA-N 0 0 316.401 2.417 10 30 DEEERN C[C@H](NC(=S)N1CCN(C2CC2)[C@@H](C#N)C1)c1cccs1 ZINC000732625631 647632889 /nfs/dbraw/zinc/63/28/89/647632889.db2.gz LISOCJRTYHLOEZ-AAEUAGOBSA-N 0 0 320.487 2.356 10 30 DEEERN C[C@@H](CCn1cccn1)OC(=O)Cc1ccc(OCC#N)cc1 ZINC000183917203 649200345 /nfs/dbraw/zinc/20/03/45/649200345.db2.gz MOKKQNYHPRIMRO-AWEZNQCLSA-N 0 0 313.357 2.350 10 30 DEEERN N#CC1(COC(=O)COc2ccc3c(c2)CCC3)CCOCC1 ZINC000183996258 649218761 /nfs/dbraw/zinc/21/87/61/649218761.db2.gz RLGNSFZQOWOCDF-UHFFFAOYSA-N 0 0 315.369 2.418 10 30 DEEERN C#CCCNC(=O)COc1cccc(NC(=O)c2ccco2)c1 ZINC000733246686 649463160 /nfs/dbraw/zinc/46/31/60/649463160.db2.gz PWOAGKGMCCPXHQ-UHFFFAOYSA-N 0 0 312.325 2.050 10 30 DEEERN C=CCOc1ccc(C(=O)O[C@H](C)CCS(C)(=O)=O)cc1 ZINC000185701415 649593536 /nfs/dbraw/zinc/59/35/36/649593536.db2.gz YZCZYQIKNIDLPB-GFCCVEGCSA-N 0 0 312.387 2.231 10 30 DEEERN C#CCOc1cccc(COC(=O)[C@@H]2CCCN(C(C)=O)C2)c1 ZINC000107021494 651408248 /nfs/dbraw/zinc/40/82/48/651408248.db2.gz PSWJAIDHWWHWOK-MRXNPFEDSA-N 0 0 315.369 2.000 10 30 DEEERN C#CCOc1cccc(COC(=O)c2cnn3ccc(C)nc23)c1 ZINC000107022110 651408273 /nfs/dbraw/zinc/40/82/73/651408273.db2.gz PGXBZVCQRIOYGE-UHFFFAOYSA-N 0 0 321.336 2.407 10 30 DEEERN N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)C(=O)N1CCCC1 ZINC000109184272 651868765 /nfs/dbraw/zinc/86/87/65/651868765.db2.gz DAJLDKARVSEORB-FRRDWIJNSA-N 0 0 318.323 2.400 10 30 DEEERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000017326684 683855210 /nfs/dbraw/zinc/85/52/10/683855210.db2.gz YZMFRECSVRIWRR-RYUDHWBXSA-N 0 0 313.357 2.500 10 30 DEEERN C#CCN(CC#C)C(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000075391997 683935844 /nfs/dbraw/zinc/93/58/44/683935844.db2.gz DPBVHPDCZZKRPS-GFCCVEGCSA-N 0 0 320.186 2.311 10 30 DEEERN C#CC[C@H](OC(=O)C1CCN(C(=O)N2CCCC2)CC1)C1CC1 ZINC000079208744 683970582 /nfs/dbraw/zinc/97/05/82/683970582.db2.gz LBTJXRNJQUWMAP-INIZCTEOSA-N 0 0 318.417 2.259 10 30 DEEERN Cc1ccc(N2C[C@@H](C(=O)O[C@H](C#N)C(C)C)CC2=O)cc1 ZINC000080386173 683981874 /nfs/dbraw/zinc/98/18/74/683981874.db2.gz ATUPTWIIIBGUHL-DZGCQCFKSA-N 0 0 300.358 2.439 10 30 DEEERN COc1ccccc1OCCN(C)C(=O)c1cc(C#N)cn1C ZINC000081035588 683987496 /nfs/dbraw/zinc/98/74/96/683987496.db2.gz IXFWNUDOXRCHAR-UHFFFAOYSA-N 0 0 313.357 2.056 10 30 DEEERN CCC(=O)N1CC[C@H](C(=O)OC[C@@H](C#N)Cc2cccs2)C1 ZINC000089294838 684021481 /nfs/dbraw/zinc/02/14/81/684021481.db2.gz NYTTXITWEPOKDG-OLZOCXBDSA-N 0 0 320.414 2.232 10 30 DEEERN CCC(=O)N1CC[C@@H](C(=O)OC[C@@H](C#N)Cc2cccs2)C1 ZINC000089294839 684021565 /nfs/dbraw/zinc/02/15/65/684021565.db2.gz NYTTXITWEPOKDG-CHWSQXEVSA-N 0 0 320.414 2.232 10 30 DEEERN Cc1n[nH]c(C)c1CCOC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000089489676 684023940 /nfs/dbraw/zinc/02/39/40/684023940.db2.gz YMDKZELGNYNVCQ-CYBMUJFWSA-N 0 0 313.357 2.451 10 30 DEEERN C#CCCOc1ccc(CN2CCN(CC(F)F)CC2)cc1 ZINC000092586654 684043483 /nfs/dbraw/zinc/04/34/83/684043483.db2.gz OVOBMEIFTLSZDK-UHFFFAOYSA-N 0 0 308.372 2.471 10 30 DEEERN C#CCCCOC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000119279059 684079146 /nfs/dbraw/zinc/07/91/46/684079146.db2.gz XQFUNQSWMAZQRG-HOCLYGCPSA-N 0 0 303.333 2.302 10 30 DEEERN CC[C@@H](C#N)NC(=O)c1sccc1NC(=O)c1ccncc1 ZINC000123799142 684128486 /nfs/dbraw/zinc/12/84/86/684128486.db2.gz ZXOUOXRCUDXNQI-NSHDSACASA-N 0 0 314.370 2.427 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCC(=O)OC1CCCCC1 ZINC000127881982 684166886 /nfs/dbraw/zinc/16/68/86/684166886.db2.gz YBJSLILXLOJTCI-UHFFFAOYSA-N 0 0 300.358 2.472 10 30 DEEERN CCN(CC)C(=O)c1cccc(OC(=O)CSCC#N)c1 ZINC000129273918 684177852 /nfs/dbraw/zinc/17/78/52/684177852.db2.gz VGENBYWXXYNSND-UHFFFAOYSA-N 0 0 306.387 2.331 10 30 DEEERN C#CCOc1ccccc1OC(=O)CCC(=O)N(CC)CC ZINC000134193962 684226481 /nfs/dbraw/zinc/22/64/81/684226481.db2.gz GVZSJJAIXCINHU-UHFFFAOYSA-N 0 0 303.358 2.253 10 30 DEEERN CCOC(=O)C(C)(C)C(=O)OCC#Cc1cccc(OC)c1 ZINC000136323560 684238515 /nfs/dbraw/zinc/23/85/15/684238515.db2.gz ZUTYEYQXUDYNFQ-UHFFFAOYSA-N 0 0 304.342 2.179 10 30 DEEERN C#CCOc1cccc(COC(=O)C(C)(C)C(=O)OCC)c1 ZINC000136296763 684238822 /nfs/dbraw/zinc/23/88/22/684238822.db2.gz SLGODQJUAWXSLI-UHFFFAOYSA-N 0 0 304.342 2.331 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Oc1ccc(-n2cnnn2)cc1 ZINC000159988144 684324057 /nfs/dbraw/zinc/32/40/57/684324057.db2.gz JBNXMWHRZDFXBL-UHFFFAOYSA-N 0 0 305.297 2.062 10 30 DEEERN C=C[C@H](C)OC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000187517128 684339067 /nfs/dbraw/zinc/33/90/67/684339067.db2.gz FFUGXWSCPXICFQ-LBPRGKRZSA-N 0 0 311.403 2.448 10 30 DEEERN CC[C@H](CC#N)OC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000188087077 684348851 /nfs/dbraw/zinc/34/88/51/684348851.db2.gz VTVXIDUWWHSFMR-GDBMZVCRSA-N 0 0 318.373 2.498 10 30 DEEERN C=C[C@](C)(CCOC)COC(=O)c1ccc(-n2cnnn2)cc1 ZINC000191154554 684422141 /nfs/dbraw/zinc/42/21/41/684422141.db2.gz QOMRYUYTNQKZEB-MRXNPFEDSA-N 0 0 316.361 2.048 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=O)c1ccnc(C#N)c1 ZINC000192504336 684451652 /nfs/dbraw/zinc/45/16/52/684451652.db2.gz PJVVHAKKQCXICY-UHFFFAOYSA-N 0 0 306.325 2.121 10 30 DEEERN COCCCNC(=O)C(C#N)=C(O)C=Cc1ccccc1Cl ZINC000193359022 685038968 /nfs/dbraw/zinc/03/89/68/685038968.db2.gz OFFHLXYPBSWWCY-GWJCSSMESA-N 0 0 320.776 2.215 10 30 DEEERN C#CCOC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1 ZINC000194055346 685055509 /nfs/dbraw/zinc/05/55/09/685055509.db2.gz XZEGHNYIWVQZLE-SFHVURJKSA-N 0 0 319.360 2.430 10 30 DEEERN C[C@@H](C#N)Oc1ccc(CN2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000245693561 685116370 /nfs/dbraw/zinc/11/63/70/685116370.db2.gz BWNRRXNWBMWGNX-FZMZJTMJSA-N 0 0 314.307 2.477 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CN1C[C@H](C)OC[C@H]1C ZINC000246171024 685124735 /nfs/dbraw/zinc/12/47/35/685124735.db2.gz JCJUANRKHXAECU-OLZOCXBDSA-N 0 0 311.389 2.192 10 30 DEEERN CC(=O)N1CCO[C@H]2CCN(c3cc(Cl)ccc3C#N)C[C@@H]21 ZINC000886034067 691988864 /nfs/dbraw/zinc/98/88/64/691988864.db2.gz HEYXVQNBAFBCIS-HOTGVXAUSA-N 0 0 319.792 2.038 10 30 DEEERN CC(=O)N1CCO[C@H]2CCN(c3cc(Cl)ccc3C#N)C[C@H]21 ZINC000886034066 691989101 /nfs/dbraw/zinc/98/91/01/691989101.db2.gz HEYXVQNBAFBCIS-CVEARBPZSA-N 0 0 319.792 2.038 10 30 DEEERN CC(=O)N1C[C@H](Nc2ccc(C#N)cn2)CC[C@@H]1C(F)(F)F ZINC000886088775 692000550 /nfs/dbraw/zinc/00/05/50/692000550.db2.gz UZKBZCJLOOWBTO-VXGBXAGGSA-N 0 0 312.295 2.307 10 30 DEEERN CC[C@@H](NS(=O)(=O)c1ccc(C#N)s1)[C@@H]1CCCOC1 ZINC000723841797 777182867 /nfs/dbraw/zinc/18/28/67/777182867.db2.gz WQURZUNRZVCBTQ-ZYHUDNBSSA-N 0 0 314.432 2.103 10 30 DEEERN C=C(COC(=O)c1c(Cl)n(C)nc1C(C)C)C(=O)OCC ZINC000745189498 784692361 /nfs/dbraw/zinc/69/23/61/784692361.db2.gz KILCMSILBMQLPG-UHFFFAOYSA-N 0 0 314.769 2.473 10 30 DEEERN CCc1nc(C#N)cc(N2CCS[C@H](C(F)(F)F)C2)n1 ZINC000721429111 787318944 /nfs/dbraw/zinc/31/89/44/787318944.db2.gz UHVBNAAQCFAIOT-VIFPVBQESA-N 0 0 302.325 2.395 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NCC[C@H]2CCCS2)s1 ZINC000715967446 792541260 /nfs/dbraw/zinc/54/12/60/792541260.db2.gz NEGBLKBLFHHHGZ-SECBINFHSA-N 0 0 302.446 2.184 10 30 DEEERN C#Cc1cccc(NC(=O)Cn2ncc(=O)c3ccccc32)c1 ZINC000055456115 1078660305 /nfs/dbraw/zinc/66/03/05/1078660305.db2.gz BBKRMNOIIRFDHU-UHFFFAOYSA-N 0 0 303.321 2.017 10 30 DEEERN Cc1cc(S(=O)(=O)NC2(C)CC(F)(F)C2)ccc1C#N ZINC000720992162 1085280831 /nfs/dbraw/zinc/28/08/31/1085280831.db2.gz DQCNUSRGIYYZLD-UHFFFAOYSA-N 0 0 300.330 2.333 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1cccc2nsnc21)C(C)(C)C ZINC000702237910 1086417729 /nfs/dbraw/zinc/41/77/29/1086417729.db2.gz AMLXNBMMRRXGFQ-NSHDSACASA-N 0 0 309.416 2.018 10 30 DEEERN CC#CC[C@@H](CO)NCc1nc(C)c(Br)s1 ZINC000719277754 1088920382 /nfs/dbraw/zinc/92/03/82/1088920382.db2.gz JIHDYYPNUVLBAJ-VIFPVBQESA-N 0 0 303.225 2.078 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)N[C@@H]2CCC(F)(F)C2)c1 ZINC000720021210 1089425386 /nfs/dbraw/zinc/42/53/86/1089425386.db2.gz LXIIDAZIAXALPH-SNVBAGLBSA-N 0 0 304.293 2.163 10 30 DEEERN Cn1c(CNC(=O)Nc2ccc(C#N)cc2)nnc1C1CCC1 ZINC000136129171 282084401 /nfs/dbraw/zinc/08/44/01/282084401.db2.gz XTPXQRAYHFEDHI-UHFFFAOYSA-N 0 0 310.361 2.276 10 30 DEEERN C=CCCCN(C)C(=O)c1cc(S(=O)(=O)NCC)ccc1C ZINC000076650639 185029002 /nfs/dbraw/zinc/02/90/02/185029002.db2.gz GRFNWRXFUIEDKY-UHFFFAOYSA-N 0 0 324.446 2.331 10 30 DEEERN C=CCn1c(-c2cccnc2)nnc1N1CCO[C@H](CCF)C1 ZINC000624816593 365558650 /nfs/dbraw/zinc/55/86/50/365558650.db2.gz UMXVMKIIXKRAOL-CQSZACIVSA-N 0 0 317.368 2.091 10 30 DEEERN C[C@@H]1CC[C@H](C)CN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000076729915 185035846 /nfs/dbraw/zinc/03/58/46/185035846.db2.gz ZKNCTIYOYGZBSM-WDEREUQCSA-N 0 0 303.337 2.283 10 30 DEEERN C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCO[C@@H](CCF)C1 ZINC000624841917 365568651 /nfs/dbraw/zinc/56/86/51/365568651.db2.gz CZAXOZQJIXJEEO-HZSPNIEDSA-N 0 0 324.400 2.269 10 30 DEEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CC2(CCC2)OC[C@H]1C ZINC000624851389 365570857 /nfs/dbraw/zinc/57/08/57/365570857.db2.gz XFIJGMKXBYLNRP-GFCCVEGCSA-N 0 0 314.393 2.002 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)CC(=O)c1ccccc1 ZINC000612311257 361788941 /nfs/dbraw/zinc/78/89/41/361788941.db2.gz QEHKURORNJKQIO-CZUORRHYSA-N 0 0 316.401 2.235 10 30 DEEERN C=CCCOCCNS(=O)(=O)c1ccc(C)c(F)c1F ZINC000625097935 365643010 /nfs/dbraw/zinc/64/30/10/365643010.db2.gz YQPYANGZCKVNRZ-UHFFFAOYSA-N 0 0 305.346 2.144 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(C(N)=O)ccc1Cl ZINC000278543012 214224564 /nfs/dbraw/zinc/22/45/64/214224564.db2.gz NFKBRVRMULDGFZ-ZWNOBZJWSA-N 0 0 308.765 2.359 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCC(C)(C)O1 ZINC000278605815 214270613 /nfs/dbraw/zinc/27/06/13/214270613.db2.gz VQGUKLIFUFAUPT-AWEZNQCLSA-N 0 0 302.374 2.499 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCO)c1ccccc1 ZINC000612506349 361845684 /nfs/dbraw/zinc/84/56/84/361845684.db2.gz XQOPWOYYCRXITI-IRXDYDNUSA-N 0 0 318.417 2.087 10 30 DEEERN C=C(CNS(=O)(=O)C[C@H](OCC)C1CC1)c1ccccc1 ZINC000625221319 365687308 /nfs/dbraw/zinc/68/73/08/365687308.db2.gz KYYBPVYQFHMZNU-INIZCTEOSA-N 0 0 309.431 2.434 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cnn(CCCC)c1C ZINC000612716784 361899902 /nfs/dbraw/zinc/89/99/02/361899902.db2.gz RNFCOWOSRVYRLM-AWEZNQCLSA-N 0 0 306.410 2.401 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(C2CCOCC2)CC1 ZINC000612876452 361938302 /nfs/dbraw/zinc/93/83/02/361938302.db2.gz WUKGVQXOEHRHLE-QGZVFWFLSA-N 0 0 322.449 2.123 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)NC[C@H](C)N1CCOCC1 ZINC000079252201 185162517 /nfs/dbraw/zinc/16/25/17/185162517.db2.gz ROMSUYYWNCNKIR-INIZCTEOSA-N 0 0 317.433 2.105 10 30 DEEERN CN(c1ccc2nccnc2c1)S(=O)(=O)c1ccccc1C#N ZINC000082352130 185176982 /nfs/dbraw/zinc/17/69/82/185176982.db2.gz JRTAUFNGZMGVOE-UHFFFAOYSA-N 0 0 324.365 2.327 10 30 DEEERN CN1CCN([C@H](C#N)c2cc(Br)cs2)CC1 ZINC000088045119 185237944 /nfs/dbraw/zinc/23/79/44/185237944.db2.gz XHOGYCKYBKTGHD-SNVBAGLBSA-N 0 0 300.225 2.323 10 30 DEEERN CCN[C@H](C#N)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000088086821 185239342 /nfs/dbraw/zinc/23/93/42/185239342.db2.gz GSEUZBPYEMGMIU-SECBINFHSA-N 0 0 314.139 2.238 10 30 DEEERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(CC#N)c1 ZINC000088198133 185241763 /nfs/dbraw/zinc/24/17/63/185241763.db2.gz PBUUAZMZKYVOEH-AWEZNQCLSA-N 0 0 309.373 2.171 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(F)c(OC)cc1OC ZINC000088777936 185265374 /nfs/dbraw/zinc/26/53/74/185265374.db2.gz AGUGAJDGDNQFDP-UHFFFAOYSA-N 0 0 324.352 2.206 10 30 DEEERN C=CCCCNC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000279277539 214758303 /nfs/dbraw/zinc/75/83/03/214758303.db2.gz LDGBGVFNGJLTNS-OAHLLOKOSA-N 0 0 301.390 2.400 10 30 DEEERN C#CCN(CC)S(=O)(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000165850656 197682721 /nfs/dbraw/zinc/68/27/21/197682721.db2.gz KYCSWOZHEMENIP-UHFFFAOYSA-N 0 0 310.375 2.164 10 30 DEEERN C=CCCCNC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000279277536 214758608 /nfs/dbraw/zinc/75/86/08/214758608.db2.gz LDGBGVFNGJLTNS-HNNXBMFYSA-N 0 0 301.390 2.400 10 30 DEEERN C=C[C@](C)(O)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000613108377 362005699 /nfs/dbraw/zinc/00/56/99/362005699.db2.gz RUZHULPBPRNDTE-LZWOXQAQSA-N 0 0 308.809 2.138 10 30 DEEERN C#CCN(CC)S(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000165994501 197685263 /nfs/dbraw/zinc/68/52/63/197685263.db2.gz DHXLEQIIIGOMLX-UHFFFAOYSA-N 0 0 307.202 2.219 10 30 DEEERN CCc1nn(C)c(C(=O)Nc2ccc(C#N)c(Cl)c2)c1N ZINC000090149903 185283806 /nfs/dbraw/zinc/28/38/06/185283806.db2.gz WDMONBUWHCTSLE-UHFFFAOYSA-N 0 0 303.753 2.342 10 30 DEEERN C=C[C@](C)(O)C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000613370849 362094301 /nfs/dbraw/zinc/09/43/01/362094301.db2.gz RNROQKYVAHUMLV-PBHICJAKSA-N 0 0 303.406 2.429 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCc2c(cccc2OC)C1 ZINC000613404367 362102264 /nfs/dbraw/zinc/10/22/64/362102264.db2.gz KFCXKZVXURSUKW-INIZCTEOSA-N 0 0 316.401 2.051 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc2c1OCCC2=O ZINC000613355419 362089567 /nfs/dbraw/zinc/08/95/67/362089567.db2.gz UNOULHLRYDSCMK-CQSZACIVSA-N 0 0 316.357 2.061 10 30 DEEERN C=CCc1ccccc1OCC#CCNS(=O)(=O)C(C)C ZINC000090731859 185311639 /nfs/dbraw/zinc/31/16/39/185311639.db2.gz UUZHPMZYPJQURC-UHFFFAOYSA-N 0 0 307.415 2.125 10 30 DEEERN CCC1(CC)[C@H](NC(=O)c2cc(C#N)cn2C)[C@H](C)[C@@H]1OC ZINC000092349155 185313454 /nfs/dbraw/zinc/31/34/54/185313454.db2.gz YLPUDKSFYKKGRR-GLQYFDAESA-N 0 0 303.406 2.466 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2c(CC)nn(C)c2CC)C1 ZINC000625349946 365742178 /nfs/dbraw/zinc/74/21/78/365742178.db2.gz HLJOTMVOHARWKP-GFCCVEGCSA-N 0 0 311.451 2.132 10 30 DEEERN CC(C)c1nnc2n1C[C@@H](Nc1nc3ccccn3c1C#N)CC2 ZINC000181518330 199310126 /nfs/dbraw/zinc/31/01/26/199310126.db2.gz DBNQVDUGFWRRGY-LBPRGKRZSA-N 0 0 321.388 2.348 10 30 DEEERN CN(C)c1nc2ccc(NC(=O)N3CCCOCC3)cc2o1 ZINC000328804615 529805452 /nfs/dbraw/zinc/80/54/52/529805452.db2.gz KITSBFIEHIJQAO-UHFFFAOYSA-N 0 0 304.350 2.162 10 30 DEEERN COC(=O)Cc1cccc(C(=O)N2CCC(C)(C#N)CC2)c1 ZINC000614637399 362426199 /nfs/dbraw/zinc/42/61/99/362426199.db2.gz ZVHXSYVCDYEROJ-UHFFFAOYSA-N 0 0 300.358 2.168 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1O ZINC000614825479 362471147 /nfs/dbraw/zinc/47/11/47/362471147.db2.gz HYVGWYRNDGYSOH-RWMBFGLXSA-N 0 0 319.405 2.469 10 30 DEEERN CN1C(=O)CC[C@@H]1C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000329138354 530041241 /nfs/dbraw/zinc/04/12/41/530041241.db2.gz IFZDKKILYLCORX-LZWOXQAQSA-N 0 0 302.374 2.342 10 30 DEEERN N#Cc1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)nc1 ZINC000107543724 185483710 /nfs/dbraw/zinc/48/37/10/185483710.db2.gz NDPKYMLJELECGP-UHFFFAOYSA-N 0 0 303.325 2.069 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC(OCC2CC2)CC1 ZINC000625537032 365819157 /nfs/dbraw/zinc/81/91/57/365819157.db2.gz FMYXZAUCTLEOFR-UHFFFAOYSA-N 0 0 322.449 2.123 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)Cc1cccc(C)n1 ZINC000625634183 365855580 /nfs/dbraw/zinc/85/55/80/365855580.db2.gz NOKOIHXLHYEOFQ-UHFFFAOYSA-N 0 0 303.406 2.067 10 30 DEEERN C=CC[C@H]1CCN(Cc2csc(CS(C)(=O)=O)n2)C1 ZINC000625700526 365875463 /nfs/dbraw/zinc/87/54/63/365875463.db2.gz JUXCNPQNJCOVKX-NSHDSACASA-N 0 0 300.449 2.086 10 30 DEEERN C=CCNc1ncc(C(=O)NCC2(CO)CC3(CCC3)C2)s1 ZINC000279675969 215054345 /nfs/dbraw/zinc/05/43/45/215054345.db2.gz KGYXJWAXTKMFEQ-UHFFFAOYSA-N 0 0 321.446 2.414 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]1Cn1cccn1 ZINC000069973826 190844947 /nfs/dbraw/zinc/84/49/47/190844947.db2.gz QXJRCWWATPDVPJ-HOCLYGCPSA-N 0 0 324.384 2.213 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000616463110 362865079 /nfs/dbraw/zinc/86/50/79/362865079.db2.gz QXSKRLGHGUJBEW-ZACQAIPSSA-N 0 0 300.402 2.377 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1nnc(/C=C/c2ccco2)s1 ZINC000183423424 539662834 /nfs/dbraw/zinc/66/28/34/539662834.db2.gz UJIZXTWJDZMKBJ-FGEFZZPRSA-N 0 0 320.374 2.360 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(-n2cccn2)cc1C ZINC000190856867 539697504 /nfs/dbraw/zinc/69/75/04/539697504.db2.gz YPVHVWCIEXBZOE-ZDUSSCGKSA-N 0 0 300.362 2.239 10 30 DEEERN C=CCC[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](O)CCCN2C1=O ZINC000277340464 213457392 /nfs/dbraw/zinc/45/73/92/213457392.db2.gz ZJGPQYXJMOMQKO-PMPSAXMXSA-N 0 0 314.385 2.481 10 30 DEEERN CN[C@H](C#N)CCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000138347357 186016407 /nfs/dbraw/zinc/01/64/07/186016407.db2.gz TWCSDMRFJXDOCB-VIFPVBQESA-N 0 0 303.240 2.494 10 30 DEEERN C[C@@H]1CCC[C@@H](C)N1NS(=O)(=O)c1ccc(CC#N)cc1 ZINC000147791417 186041872 /nfs/dbraw/zinc/04/18/72/186041872.db2.gz MECLTPNOSAITSV-CHWSQXEVSA-N 0 0 307.419 2.209 10 30 DEEERN C[C@@H]1CCC[C@H](C)N1NC(=O)c1ccc(C#CCCO)s1 ZINC000149849640 186053084 /nfs/dbraw/zinc/05/30/84/186053084.db2.gz AKYYESFVVOUGSE-BETUJISGSA-N 0 0 306.431 2.390 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1ccccc1-n1cnnn1 ZINC000155721108 186106256 /nfs/dbraw/zinc/10/62/56/186106256.db2.gz KDINXBZGRBDDBE-UHFFFAOYSA-N 0 0 304.313 2.095 10 30 DEEERN C=C(C)COCCNc1ccccc1S(=O)(=O)NCCC ZINC000164033249 186146406 /nfs/dbraw/zinc/14/64/06/186146406.db2.gz AIAQPJUGVDDBBK-UHFFFAOYSA-N 0 0 312.435 2.380 10 30 DEEERN N#C[C@@H](CO)c1ncc(Br)cc1Br ZINC000164065457 186147845 /nfs/dbraw/zinc/14/78/45/186147845.db2.gz UIXMZZUZEDUXBJ-YFKPBYRVSA-N 0 0 305.957 2.206 10 30 DEEERN Cc1ccc(C#CCO)c(NS(=O)(=O)C2CCCCC2)c1 ZINC000164260859 186153998 /nfs/dbraw/zinc/15/39/98/186153998.db2.gz XNAGBQFRIFLACU-UHFFFAOYSA-N 0 0 307.415 2.413 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000617039841 363006950 /nfs/dbraw/zinc/00/69/50/363006950.db2.gz MJNTXOVMWSEIHX-SDKNFDLMSA-N 0 0 305.418 2.479 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cccc(O)c1 ZINC000617043062 363007757 /nfs/dbraw/zinc/00/77/57/363007757.db2.gz YZSUHBZRDIKXRV-CJNGLKHVSA-N 0 0 316.401 2.373 10 30 DEEERN C=CC[C@H](C(=O)N1CC[C@@H](Cn2ccnn2)C1)c1ccccc1 ZINC000617257416 363066849 /nfs/dbraw/zinc/06/68/49/363066849.db2.gz QYFSLDXHTOARND-WBVHZDCISA-N 0 0 310.401 2.487 10 30 DEEERN CC(C)(C)C1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000172074354 198034627 /nfs/dbraw/zinc/03/46/27/198034627.db2.gz DMJMOSHDHHNEIM-UHFFFAOYSA-N 0 0 307.419 2.400 10 30 DEEERN N#C[C@@H]1CN(C(=O)Cc2ccccc2)CCN1Cc1ccccc1 ZINC000172154046 198047929 /nfs/dbraw/zinc/04/79/29/198047929.db2.gz VHJQHLNZDBWRMC-LJQANCHMSA-N 0 0 319.408 2.466 10 30 DEEERN C=C(CSc1nnnn1-c1ccc(C)cc1)C(=O)OCC ZINC000172292845 198071870 /nfs/dbraw/zinc/07/18/70/198071870.db2.gz YZQHPWIHONQKGV-UHFFFAOYSA-N 0 0 304.375 2.182 10 30 DEEERN C=CCCC1(CNC(=O)Cn2nnnc2C(C)C)CCCC1 ZINC000617417153 363127967 /nfs/dbraw/zinc/12/79/67/363127967.db2.gz NSCBHIJXTWQMQQ-UHFFFAOYSA-N 0 0 305.426 2.439 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCc1snnc1C ZINC000292071756 222821634 /nfs/dbraw/zinc/82/16/34/222821634.db2.gz PWCYKUJCNHNZRC-CQSZACIVSA-N 0 0 314.414 2.280 10 30 DEEERN C=CCN(C(=O)c1csc(-c2ncccn2)n1)[C@H](C)COC ZINC000617576795 363194076 /nfs/dbraw/zinc/19/40/76/363194076.db2.gz ACGWXKHBWCXRIK-LLVKDONJSA-N 0 0 318.402 2.263 10 30 DEEERN CO[C@H]1C[C@H](C(=O)N[C@@H](C)c2csc(C)n2)N(C(C)=O)C1 ZINC000329879966 539931725 /nfs/dbraw/zinc/93/17/25/539931725.db2.gz MYZPZDKJVBVGBL-LJUAHTATSA-N 0 0 311.407 2.105 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ncn(C2CCCCC2)n1 ZINC000332898987 539943208 /nfs/dbraw/zinc/94/32/08/539943208.db2.gz MYLIMMNILYDEGJ-YPMHNXCESA-N 0 0 302.382 2.597 10 30 DEEERN C[C@@]12CN(S(=O)(=O)c3cccnc3C#N)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333130336 539949165 /nfs/dbraw/zinc/94/91/65/539949165.db2.gz WVDQQDWEYJINRG-IATRGZMQSA-N 0 0 317.414 2.010 10 30 DEEERN CN(CCC#N)c1ccc(I)cc1N ZINC000085101260 192479529 /nfs/dbraw/zinc/47/95/29/192479529.db2.gz HZBCHQGBGHFNQH-UHFFFAOYSA-N 0 0 301.131 2.223 10 30 DEEERN N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000176412510 198583220 /nfs/dbraw/zinc/58/32/20/198583220.db2.gz PGRRVIPXLWYBCI-AWEZNQCLSA-N 0 0 324.388 2.182 10 30 DEEERN Cn1ccnc1C[C@@H](Nc1cc(C#N)ncn1)c1ccccc1 ZINC000617956920 363329178 /nfs/dbraw/zinc/32/91/78/363329178.db2.gz QORYAEGZGRMBOI-OAHLLOKOSA-N 0 0 304.357 2.478 10 30 DEEERN CCn1c2nc(N)nc(C)c2cc(-c2ccc(C#N)s2)c1=O ZINC000035309287 354162924 /nfs/dbraw/zinc/16/29/24/354162924.db2.gz CHZVGYLVZMHCSX-UHFFFAOYSA-N 0 0 311.370 2.302 10 30 DEEERN C=C(C)COc1cccc(NC(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000626355856 366159043 /nfs/dbraw/zinc/15/90/43/366159043.db2.gz GCIWNFPYDMBNNT-XBXGTLAGSA-N 0 0 317.389 2.369 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1 ZINC000626402598 366175142 /nfs/dbraw/zinc/17/51/42/366175142.db2.gz HYLGNGZIOAPWHI-DZGCQCFKSA-N 0 0 304.394 2.492 10 30 DEEERN C=CCN(CC=C)C(=O)CNc1ccccc1C(=O)NC1CC1 ZINC000053065372 354421644 /nfs/dbraw/zinc/42/16/44/354421644.db2.gz NXUMMRRIGQJVLH-UHFFFAOYSA-N 0 0 313.401 2.191 10 30 DEEERN C=CCNC(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000057812590 354581113 /nfs/dbraw/zinc/58/11/13/354581113.db2.gz VMJSQXNWVZNVEA-UHFFFAOYSA-N 0 0 304.224 2.295 10 30 DEEERN Cc1nn(C)cc1[C@H](C)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000068154957 354800529 /nfs/dbraw/zinc/80/05/29/354800529.db2.gz HODVORXMWCKXOR-AAEUAGOBSA-N 0 0 312.373 2.245 10 30 DEEERN N#C[C@H]1CN(C(=O)[C@H]2CCCc3ccccc32)CCN1C1CC1 ZINC000370971211 283068072 /nfs/dbraw/zinc/06/80/72/283068072.db2.gz BTSDKTHAYDAHIH-WMZOPIPTSA-N 0 0 309.413 2.305 10 30 DEEERN C=CCCCN(C)c1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000076690900 355161355 /nfs/dbraw/zinc/16/13/55/355161355.db2.gz BFIVEQYDLZCMOY-UHFFFAOYSA-N 0 0 309.435 2.269 10 30 DEEERN COC(=O)CCC(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000074778278 191359068 /nfs/dbraw/zinc/35/90/68/191359068.db2.gz BRMRNDSULADTBP-UHFFFAOYSA-N 0 0 300.358 2.024 10 30 DEEERN N#Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)ccn1 ZINC000225423320 283089680 /nfs/dbraw/zinc/08/96/80/283089680.db2.gz OSMVCALEBGDHDA-HOTGVXAUSA-N 0 0 311.316 2.040 10 30 DEEERN N#Cc1cc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)ccn1 ZINC000193464535 283091642 /nfs/dbraw/zinc/09/16/42/283091642.db2.gz IPEYTZQZBUTSED-UHFFFAOYSA-N 0 0 324.731 2.440 10 30 DEEERN CC1(C)Oc2ccc(N)nc2N(Cc2cccc(C#N)c2)C1=O ZINC000075256010 191450899 /nfs/dbraw/zinc/45/08/99/191450899.db2.gz PJZZKJIPAHGTCJ-UHFFFAOYSA-N 0 0 308.341 2.240 10 30 DEEERN CC[C@@H]1C(=O)NCCN1c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092666501 355644872 /nfs/dbraw/zinc/64/48/72/355644872.db2.gz HWURSADBWQFEKM-CQSZACIVSA-N 0 0 314.776 2.475 10 30 DEEERN C=CCNc1nnc(Sc2nccn(CC(C)C)c2=O)s1 ZINC000094132103 355693676 /nfs/dbraw/zinc/69/36/76/355693676.db2.gz NBWLHQFSKBMFCK-UHFFFAOYSA-N 0 0 323.447 2.500 10 30 DEEERN COC(=O)N1CCc2c(C#N)c(NC(=O)C3CC3)sc2C1 ZINC000005255556 181222430 /nfs/dbraw/zinc/22/24/30/181222430.db2.gz CQFSCMGDUKSGFP-UHFFFAOYSA-N 0 0 305.359 2.093 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000182252487 356116523 /nfs/dbraw/zinc/11/65/23/356116523.db2.gz JTWBRPXLRGKLSL-JTQLQIEISA-N 0 0 302.300 2.457 10 30 DEEERN CC(C)(C)CS(=O)(=O)Nc1cc(C#CCO)ccc1Cl ZINC000080192745 192011382 /nfs/dbraw/zinc/01/13/82/192011382.db2.gz FJLNQQXBXDUOAG-UHFFFAOYSA-N 0 0 315.822 2.472 10 30 DEEERN CC(C)CS(=O)(=O)Nc1cc(C#CCO)ccc1Cl ZINC000080192741 192011386 /nfs/dbraw/zinc/01/13/86/192011386.db2.gz RQTOFQURHJBHBH-UHFFFAOYSA-N 0 0 301.795 2.082 10 30 DEEERN C=C(C)COc1cccc(NC(=O)NCCCn2ccnn2)c1 ZINC000183625761 356177307 /nfs/dbraw/zinc/17/73/07/356177307.db2.gz KAEAMTHLYBXTIK-UHFFFAOYSA-N 0 0 315.377 2.445 10 30 DEEERN C[C@H](NS(=O)(=O)c1cccc(F)c1C#N)c1nccs1 ZINC000080276826 192020258 /nfs/dbraw/zinc/02/02/58/192020258.db2.gz LIFLWJGSNRITCP-QMMMGPOBSA-N 0 0 311.363 2.193 10 30 DEEERN N#Cc1ccc(OC(F)(F)F)nc1I ZINC000238533509 356304150 /nfs/dbraw/zinc/30/41/50/356304150.db2.gz SGONBPVZWMZYPN-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN N#Cc1ccc(OC(F)(F)F)c(I)n1 ZINC000238533653 356304538 /nfs/dbraw/zinc/30/45/38/356304538.db2.gz QSINXPIRMCVHOD-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000080979775 192207691 /nfs/dbraw/zinc/20/76/91/192207691.db2.gz QTBSXOAUASDFPH-UHFFFAOYSA-N 0 0 322.368 2.385 10 30 DEEERN Cc1noc([C@@H]2CC[C@H](CNc3snc(C)c3C#N)O2)n1 ZINC000286743844 356371641 /nfs/dbraw/zinc/37/16/41/356371641.db2.gz RBHQGDGUBYXQOF-KOLCDFICSA-N 0 0 305.363 2.347 10 30 DEEERN COc1ccc(NC(=O)c2cc(C#N)cn2C)c(OC)c1OC ZINC000081151607 192229250 /nfs/dbraw/zinc/22/92/50/192229250.db2.gz ASSCLCZGDUXTBB-UHFFFAOYSA-N 0 0 315.329 2.175 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1ccccc1-n1cccn1 ZINC000081058195 192221128 /nfs/dbraw/zinc/22/11/28/192221128.db2.gz UHHNZRXFKORFNW-UHFFFAOYSA-N 0 0 305.341 2.012 10 30 DEEERN O=C(C#CBr)Nc1ncccc1Br ZINC000306333648 356403860 /nfs/dbraw/zinc/40/38/60/356403860.db2.gz IAVOWMYBENKSQS-UHFFFAOYSA-N 0 0 303.941 2.138 10 30 DEEERN COC(=O)c1c(C#N)ccc(C)c1I ZINC000307021931 356407026 /nfs/dbraw/zinc/40/70/26/356407026.db2.gz DKKXJZHHLNTMKI-UHFFFAOYSA-N 0 0 301.083 2.258 10 30 DEEERN C=CCNC(=O)Cc1noc([C@H]2C[C@H]2c2cccc(OC)c2)n1 ZINC000350694812 356559294 /nfs/dbraw/zinc/55/92/94/356559294.db2.gz NJHGRZZDVNNOSA-KBPBESRZSA-N 0 0 313.357 2.194 10 30 DEEERN C=CCOCCCNC(=O)CSc1nccn1C(C)(C)C ZINC000618522492 363514860 /nfs/dbraw/zinc/51/48/60/363514860.db2.gz JVVSCUNPPHYECH-UHFFFAOYSA-N 0 0 311.451 2.439 10 30 DEEERN C=CCOCCCNC(=O)c1cc2cnn(CC)c2nc1C ZINC000618524653 363516120 /nfs/dbraw/zinc/51/61/20/363516120.db2.gz NEHGGAYLJOLTQU-UHFFFAOYSA-N 0 0 302.378 2.082 10 30 DEEERN C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc(C#N)cc1N ZINC000085916717 192539609 /nfs/dbraw/zinc/53/96/09/192539609.db2.gz PLNKNRGENHRUBN-SMDDNHRTSA-N 0 0 307.419 2.340 10 30 DEEERN Cc1ncc(S(=O)(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)cc1C#N ZINC000387339055 356702788 /nfs/dbraw/zinc/70/27/88/356702788.db2.gz UYCNYJWDNJEWBN-UEKVPHQBSA-N 0 0 307.419 2.365 10 30 DEEERN C=C(C)Cn1c(N2CC(C)(OC)C2)nnc1[C@@]1(C)CCCO1 ZINC000573417501 356749223 /nfs/dbraw/zinc/74/92/23/356749223.db2.gz QWQFTBJHQLYYMI-MRXNPFEDSA-N 0 0 306.410 2.105 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@@H](C)C[C@H]1C ZINC000578106309 356761494 /nfs/dbraw/zinc/76/14/94/356761494.db2.gz HTDVHQIUQIFSSQ-MJBXVCDLSA-N 0 0 306.410 2.177 10 30 DEEERN C=CCC1(C(=O)N2Cc3ccccc3NC(=O)C2)CCOCC1 ZINC000579129236 356928102 /nfs/dbraw/zinc/92/81/02/356928102.db2.gz ITCDIHAKIHTRLC-UHFFFAOYSA-N 0 0 314.385 2.340 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCCc1ccc(F)cc1F ZINC000579251647 356947420 /nfs/dbraw/zinc/94/74/20/356947420.db2.gz DKBFIDUGXHFKIQ-UHFFFAOYSA-N 0 0 324.371 2.486 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1ccccc1OC ZINC000579258553 356949413 /nfs/dbraw/zinc/94/94/13/356949413.db2.gz QMVPIPNBJFZHIB-UHFFFAOYSA-N 0 0 304.390 2.174 10 30 DEEERN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)NCC2(C#N)CC2)C1 ZINC000580751358 357073634 /nfs/dbraw/zinc/07/36/34/357073634.db2.gz UTGUOHIQENZVAP-CYBMUJFWSA-N 0 0 321.421 2.444 10 30 DEEERN CC(=O)N1CC[C@@H](CNC(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000581731095 357240057 /nfs/dbraw/zinc/24/00/57/357240057.db2.gz KMHBVKMNMQJSQY-RDJZCZTQSA-N 0 0 313.401 2.059 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000581826676 357251580 /nfs/dbraw/zinc/25/15/80/357251580.db2.gz LPZWKJRHDLFMEV-AHIWAGSCSA-N 0 0 311.422 2.140 10 30 DEEERN C=C[C@H](C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588884172 357431437 /nfs/dbraw/zinc/43/14/37/357431437.db2.gz IVSXORJUIMOOTA-JTQLQIEISA-N 0 0 302.334 2.492 10 30 DEEERN C=C[C@@H](C(=O)OC)N1CCN(c2nccc3sccc32)CC1 ZINC000588977857 357438510 /nfs/dbraw/zinc/43/85/10/357438510.db2.gz NYSBLKKMQMSDAD-ZDUSSCGKSA-N 0 0 317.414 2.146 10 30 DEEERN CCN1C[C@H](CN(C)c2nc(C)cc(C#N)n2)Oc2ccccc21 ZINC000587051754 357380006 /nfs/dbraw/zinc/38/00/06/357380006.db2.gz SXESMKFZXGWQGA-HNNXBMFYSA-N 0 0 323.400 2.380 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000591785563 357761077 /nfs/dbraw/zinc/76/10/77/357761077.db2.gz RTYIDWBAFOWMJM-HOCLYGCPSA-N 0 0 314.385 2.423 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000591857275 357768808 /nfs/dbraw/zinc/76/88/08/357768808.db2.gz JMIVIUMCZWAFCO-UAGQMJEPSA-N 0 0 311.385 2.436 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593602557 358109368 /nfs/dbraw/zinc/10/93/68/358109368.db2.gz WCMWTSOECPJMAV-CABCVRRESA-N 0 0 320.414 2.110 10 30 DEEERN C=CCCn1cc(C[S@](=O)Cc2ncc(Cl)s2)nn1 ZINC000593937140 358175053 /nfs/dbraw/zinc/17/50/53/358175053.db2.gz NCJJYWQGOGOREB-IBGZPJMESA-N 0 0 316.839 2.413 10 30 DEEERN C=CCCn1cc(CN[C@@H](C(=O)OC)C2CCCCC2)nn1 ZINC000593970814 358181610 /nfs/dbraw/zinc/18/16/10/358181610.db2.gz ZCTPPQYRAYAQJR-OAHLLOKOSA-N 0 0 306.410 2.066 10 30 DEEERN C=CCCn1cc(CSCc2nc(CC)cc(=O)[nH]2)nn1 ZINC000594557659 358294125 /nfs/dbraw/zinc/29/41/25/358294125.db2.gz QSRJNAJCBPMLQU-UHFFFAOYSA-N 0 0 305.407 2.346 10 30 DEEERN C=CCCSCCNC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000595423189 358444658 /nfs/dbraw/zinc/44/46/58/358444658.db2.gz MNBOARMCJBNBFL-CYBMUJFWSA-N 0 0 322.430 2.435 10 30 DEEERN C=CCCCS(=O)(=O)NCC1(C(=O)OC(C)(C)C)CCC1 ZINC000595395518 358439363 /nfs/dbraw/zinc/43/93/63/358439363.db2.gz OHVWSLUSAIFKTN-UHFFFAOYSA-N 0 0 317.451 2.384 10 30 DEEERN C=CCCC1(CNC(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)CCCC1 ZINC000595700890 358527156 /nfs/dbraw/zinc/52/71/56/358527156.db2.gz OWUZNAGIZQFLIW-DGCWBMGLSA-N 0 0 310.463 2.428 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2c1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000596527591 358706904 /nfs/dbraw/zinc/70/69/04/358706904.db2.gz INMNEYILLKXMRM-TXEJJXNPSA-N 0 0 303.318 2.464 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)COCc1nccn1C ZINC000596974016 358797349 /nfs/dbraw/zinc/79/73/49/358797349.db2.gz PRUUBYHYSRFYMU-UHFFFAOYSA-N 0 0 324.384 2.023 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1scc(C(=O)OC)c1C ZINC000597476793 358927908 /nfs/dbraw/zinc/92/79/08/358927908.db2.gz ICIIDTCPUUDSPF-LBPRGKRZSA-N 0 0 324.402 2.253 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc([C@H](C)CC)c1 ZINC000627470806 366529025 /nfs/dbraw/zinc/52/90/25/366529025.db2.gz ZLRFJHZXFAUHJI-DOMZBBRYSA-N 0 0 304.390 2.192 10 30 DEEERN C=CCSc1ccccc1C(=O)N[C@H](CO)CC(=O)OCC ZINC000597678529 358977568 /nfs/dbraw/zinc/97/75/68/358977568.db2.gz KUPZRBJTPJJAEH-LBPRGKRZSA-N 0 0 323.414 2.009 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000597864753 359028874 /nfs/dbraw/zinc/02/88/74/359028874.db2.gz QBNFRPYXZCEBRQ-GXTWGEPZSA-N 0 0 319.361 2.008 10 30 DEEERN C=CCC[C@H](NC(=O)C[C@H](C)n1ccc(C)n1)C(=O)OCC ZINC000597733025 358993142 /nfs/dbraw/zinc/99/31/42/358993142.db2.gz PEJWVUWKFOJKPR-KBPBESRZSA-N 0 0 307.394 2.157 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCCOc1ccc(C(C)=O)cc1 ZINC000185839648 199894269 /nfs/dbraw/zinc/89/42/69/199894269.db2.gz HZSNPKVYEBEOJJ-HNNXBMFYSA-N 0 0 305.374 2.101 10 30 DEEERN C=CCOCCCNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000598206661 359122535 /nfs/dbraw/zinc/12/25/35/359122535.db2.gz BHKDHTCIQLGSLU-KRWDZBQOSA-N 0 0 313.401 2.236 10 30 DEEERN C=CCOCCCNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000598206662 359122558 /nfs/dbraw/zinc/12/25/58/359122558.db2.gz BHKDHTCIQLGSLU-QGZVFWFLSA-N 0 0 313.401 2.236 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000598209377 359122594 /nfs/dbraw/zinc/12/25/94/359122594.db2.gz UQZHLVBUBWLXAZ-UHFFFAOYSA-N 0 0 319.361 2.492 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@H]21 ZINC000598182875 359116164 /nfs/dbraw/zinc/11/61/64/359116164.db2.gz PYUYEEJWFREJEW-RBZJEDDUSA-N 0 0 321.417 2.158 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C(=O)OC)[C@H]2CCCC[C@H]21 ZINC000598182868 359116242 /nfs/dbraw/zinc/11/62/42/359116242.db2.gz PYUYEEJWFREJEW-JKJDWNRSSA-N 0 0 321.417 2.158 10 30 DEEERN C=CCCSCCNC(=O)c1ccc(-n2cncn2)cc1 ZINC000597970425 359055073 /nfs/dbraw/zinc/05/50/73/359055073.db2.gz HHWMARLECFUHRG-UHFFFAOYSA-N 0 0 302.403 2.306 10 30 DEEERN CC(=O)N[C@@H](C(=O)NCC1(C#N)CCCCC1)C1CCCC1 ZINC000598301693 359157182 /nfs/dbraw/zinc/15/71/82/359157182.db2.gz QNJNHKIASOVDMR-OAHLLOKOSA-N 0 0 305.422 2.272 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C)c(C(=O)OC)s1 ZINC000598323699 359161278 /nfs/dbraw/zinc/16/12/78/359161278.db2.gz IMCQJACCTOHZJD-LLVKDONJSA-N 0 0 324.402 2.253 10 30 DEEERN C=CCCn1cc(C(=O)N2CC(Cc3ccc(C)cc3)C2)nn1 ZINC000618895123 363627152 /nfs/dbraw/zinc/62/71/52/363627152.db2.gz QJIMEXQVVMKCRD-UHFFFAOYSA-N 0 0 310.401 2.477 10 30 DEEERN C=CC(C)(C)CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000599116789 359406750 /nfs/dbraw/zinc/40/67/50/359406750.db2.gz NQECSLMQVVDVPB-UHFFFAOYSA-N 0 0 313.379 2.256 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)OC ZINC000599360667 359476444 /nfs/dbraw/zinc/47/64/44/359476444.db2.gz ONPVGALAIPRTRJ-QWHCGFSZSA-N 0 0 317.451 2.240 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000599374438 359481894 /nfs/dbraw/zinc/48/18/94/359481894.db2.gz JOTPGALRAQSFHG-SNVBAGLBSA-N 0 0 312.341 2.423 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000599375445 359482447 /nfs/dbraw/zinc/48/24/47/359482447.db2.gz WJEWOEKZGLIBSI-LBPRGKRZSA-N 0 0 310.375 2.490 10 30 DEEERN Cc1noc([C@H]2CN(Cc3cc(C#N)ccc3F)C[C@@H](C)O2)n1 ZINC000599610292 359541371 /nfs/dbraw/zinc/54/13/71/359541371.db2.gz MSXQWLBZSIGFRK-MEBBXXQBSA-N 0 0 316.336 2.351 10 30 DEEERN C=C(C)CNC(=O)Nc1ccc(O[C@H](C)C(=O)OC)c(F)c1 ZINC000599869661 359614641 /nfs/dbraw/zinc/61/46/41/359614641.db2.gz DTTVKBGNEIJMEO-SNVBAGLBSA-N 0 0 310.325 2.464 10 30 DEEERN CCOC(=O)CC[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000089803983 192874141 /nfs/dbraw/zinc/87/41/41/192874141.db2.gz MBHZUYACFUIXRP-OLZOCXBDSA-N 0 0 318.373 2.174 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC(C)(C)O ZINC000187814704 200161035 /nfs/dbraw/zinc/16/10/35/200161035.db2.gz ONAOIEZKMXGPEH-UHFFFAOYSA-N 0 0 318.417 2.364 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)COc2ccc(C#N)cc2OC)C1 ZINC000600213084 359692680 /nfs/dbraw/zinc/69/26/80/359692680.db2.gz AYJNPZCJRJHHAL-CYBMUJFWSA-N 0 0 300.358 2.370 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H](Cc1cccc(OC)c1)C(=O)OC ZINC000600269141 359708123 /nfs/dbraw/zinc/70/81/23/359708123.db2.gz QNUZPRFYVSYVMN-BBRMVZONSA-N 0 0 319.401 2.498 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CC[C@H](C(=O)OC)[C@H]2CCC[C@@H]21 ZINC000600548849 359767211 /nfs/dbraw/zinc/76/72/11/359767211.db2.gz TYBHYHRSXWADGU-KBXIAJHMSA-N 0 0 309.406 2.158 10 30 DEEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1cn(C)nc1-c1ccco1 ZINC000627554516 366548181 /nfs/dbraw/zinc/54/81/81/366548181.db2.gz PPEXBDBYCHTANQ-LLVKDONJSA-N 0 0 316.361 2.090 10 30 DEEERN CC(=O)N1CCN(Cc2cccc(-c3ccc(C#N)nc3)c2)CC1 ZINC000600791920 359830769 /nfs/dbraw/zinc/83/07/69/359830769.db2.gz AQIJBDGCVPGQOJ-UHFFFAOYSA-N 0 0 320.396 2.284 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cc(CCC)nn1C ZINC000627686519 366591968 /nfs/dbraw/zinc/59/19/68/366591968.db2.gz OWYOLDUHYZXRDE-UHFFFAOYSA-N 0 0 306.410 2.030 10 30 DEEERN C=CCOc1ccc(CC(=O)NCC(O)(C2CC2)C2CC2)cc1 ZINC000619034196 363679090 /nfs/dbraw/zinc/67/90/90/363679090.db2.gz DMQIVQMZSHOFLI-UHFFFAOYSA-N 0 0 315.413 2.461 10 30 DEEERN C=C1CC(C)(C(=O)NC[C@H](Cc2ccc(O)cc2)C(=O)OC)C1 ZINC000601037981 359902244 /nfs/dbraw/zinc/90/22/44/359902244.db2.gz GUURPTXYNWISHO-AWEZNQCLSA-N 0 0 317.385 2.196 10 30 DEEERN N#Cc1cnc2c(F)ccc(Cl)c2c1NC[C@H](O)C(F)F ZINC000435590873 237680062 /nfs/dbraw/zinc/68/00/62/237680062.db2.gz ZZFKFYNHUGDDQZ-VIFPVBQESA-N 0 0 315.682 2.359 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CC2(C(=O)OC(C)(C)C)CCC2)C1=O ZINC000601071683 359912703 /nfs/dbraw/zinc/91/27/03/359912703.db2.gz SCUCEJWXQOHUDG-LBPRGKRZSA-N 0 0 322.405 2.385 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000627736135 366604598 /nfs/dbraw/zinc/60/45/98/366604598.db2.gz OLEZGSDZVUDUNK-CYBMUJFWSA-N 0 0 302.374 2.367 10 30 DEEERN C=CCOc1ccccc1C(=O)NCc1c(C)nnn1CC ZINC000627875161 366646506 /nfs/dbraw/zinc/64/65/06/366646506.db2.gz SGUYKKSNMVHCSF-UHFFFAOYSA-N 0 0 300.362 2.101 10 30 DEEERN C=C(C)C[C@H](Nc1cc(C)nc(-c2ccncc2)n1)C(=O)OC ZINC000601227752 359973363 /nfs/dbraw/zinc/97/33/63/359973363.db2.gz RPOAHKFXUSCCML-AWEZNQCLSA-N 0 0 312.373 2.189 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601438556 360040315 /nfs/dbraw/zinc/04/03/15/360040315.db2.gz AUHZCEMQNYRXMI-ZDUSSCGKSA-N 0 0 304.346 2.070 10 30 DEEERN C=C(C)C[C@H](NS(=O)(=O)c1ccc(C2CC2)cc1)C(=O)OC ZINC000601501205 360055615 /nfs/dbraw/zinc/05/56/15/360055615.db2.gz JXGXOKOKSVURKB-HNNXBMFYSA-N 0 0 323.414 2.350 10 30 DEEERN C=CC[C@@H](C)NC(=O)N1CCC(c2cc(C(=O)OC)on2)CC1 ZINC000601578306 360077948 /nfs/dbraw/zinc/07/79/48/360077948.db2.gz YPVNQVKLVCMLDZ-LLVKDONJSA-N 0 0 321.377 2.315 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cnn(C(C)(C)C)c1C)C(=O)OC ZINC000601777230 360143636 /nfs/dbraw/zinc/14/36/36/360143636.db2.gz GAIJUKOPBIJUOQ-ZDUSSCGKSA-N 0 0 307.394 2.184 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cc1cccc2cccnc21)C(=O)OC ZINC000601778731 360144424 /nfs/dbraw/zinc/14/44/24/360144424.db2.gz PVDKCWLLVPMWMR-OAHLLOKOSA-N 0 0 312.369 2.401 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(OC)c(OC)c1C)C(=O)OC ZINC000601782055 360146713 /nfs/dbraw/zinc/14/67/13/360146713.db2.gz NUUCNVCDTLPGCX-CYBMUJFWSA-N 0 0 321.373 2.250 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(F)c(C#N)c(F)c1)C(=O)OC ZINC000601783204 360146719 /nfs/dbraw/zinc/14/67/19/360146719.db2.gz AKCWGGATPBONOR-CYBMUJFWSA-N 0 0 308.284 2.074 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1occc1Br)C(=O)OC ZINC000601783415 360147528 /nfs/dbraw/zinc/14/75/28/360147528.db2.gz WOHMOVSNEBZHKM-VIFPVBQESA-N 0 0 316.151 2.280 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1CCOc2ccccc21)C(=O)OC ZINC000601785156 360148735 /nfs/dbraw/zinc/14/87/35/360148735.db2.gz JZFBFEJQTZXHOO-KGLIPLIRSA-N 0 0 303.358 2.177 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cnc2n1[C@H](C)CCC2)C(=O)OC ZINC000601784978 360148804 /nfs/dbraw/zinc/14/88/04/360148804.db2.gz OLSVKVINYPMWPA-NEPJUHHUSA-N 0 0 305.378 2.018 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccnc(SCC)c1)C(=O)OC ZINC000601784901 360148980 /nfs/dbraw/zinc/14/89/80/360148980.db2.gz IIKXVXPCKCLPCC-LBPRGKRZSA-N 0 0 308.403 2.431 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(N(C)C)c(F)c1)C(=O)OC ZINC000601786893 360149625 /nfs/dbraw/zinc/14/96/25/360149625.db2.gz USOJRUIPJGVOGW-ZDUSSCGKSA-N 0 0 308.353 2.129 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(C(C)=O)cc1F)C(=O)OC ZINC000601788692 360150531 /nfs/dbraw/zinc/15/05/31/360150531.db2.gz WSTDICJUVYSDQQ-CQSZACIVSA-N 0 0 307.321 2.266 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000189333688 200383954 /nfs/dbraw/zinc/38/39/54/200383954.db2.gz ZTTGRBAGHSERSY-BLLLJJGKSA-N 0 0 306.410 2.020 10 30 DEEERN CC(=O)N1CCc2c(C#N)c(NC(=O)C34CC(C3)C4)sc2C1 ZINC000602360137 360349333 /nfs/dbraw/zinc/34/93/33/360349333.db2.gz JWQYQVAHHSHGIK-UHFFFAOYSA-N 0 0 315.398 2.263 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1CCC[C@H](SC)C1 ZINC000602252070 360323747 /nfs/dbraw/zinc/32/37/47/360323747.db2.gz OKFCDVNECFAKQW-STQMWFEESA-N 0 0 312.479 2.495 10 30 DEEERN C=CCOCCCC(=O)N1c2cccc(C)c2C[C@H]1C(=O)OC ZINC000602418940 360364384 /nfs/dbraw/zinc/36/43/84/360364384.db2.gz QXJNZSMKWRJXFV-INIZCTEOSA-N 0 0 317.385 2.409 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CC[S@](=O)C[C@@H](C)C1 ZINC000602392857 360356004 /nfs/dbraw/zinc/35/60/04/360356004.db2.gz SHBJEAMNNIGZJO-RBZFPXEDSA-N 0 0 300.468 2.389 10 30 DEEERN C=C(C)C[C@@H](NCc1cccc2c1OCCCO2)C(=O)OC ZINC000602733038 360523974 /nfs/dbraw/zinc/52/39/74/360523974.db2.gz HBBWAVVUJWMYIW-CQSZACIVSA-N 0 0 305.374 2.445 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1c(C(=O)OC)cnn1C ZINC000603017249 360668895 /nfs/dbraw/zinc/66/88/95/360668895.db2.gz JZKXLLYXVAHKCD-DGCLKSJQSA-N 0 0 320.393 2.463 10 30 DEEERN C=CCCC1(CNC(=O)Cn2ccc(C(=O)OC)n2)CCCC1 ZINC000603154850 360726368 /nfs/dbraw/zinc/72/63/68/360726368.db2.gz MOEAFWDGAPQMDD-UHFFFAOYSA-N 0 0 319.405 2.313 10 30 DEEERN N#Cc1ccc(CNC(=O)c2ccc3[nH]c(=O)oc3c2)c(F)c1 ZINC000609229479 361290556 /nfs/dbraw/zinc/29/05/56/361290556.db2.gz UBVDCXQGXUVFEX-UHFFFAOYSA-N 0 0 311.272 2.474 10 30 DEEERN CCC[C@H](C#N)NC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 ZINC000608814784 361267585 /nfs/dbraw/zinc/26/75/85/361267585.db2.gz HPGQNSZZYVHUPH-CYBMUJFWSA-N 0 0 316.361 2.025 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)oc2C)C1 ZINC000628062735 366706881 /nfs/dbraw/zinc/70/68/81/366706881.db2.gz OPADVLJWJBUHTE-GFCCVEGCSA-N 0 0 311.403 2.420 10 30 DEEERN CC[C@@H]1CN(Cc2ccc(OC)c(C#N)c2)C[C@]2(CCOC2)O1 ZINC000619434180 363792573 /nfs/dbraw/zinc/79/25/73/363792573.db2.gz MDNXNSJYARAIQQ-AEFFLSMTSA-N 0 0 316.401 2.337 10 30 DEEERN Cc1csc(C2(NS(=O)(=O)CCCCC#N)CCC2)n1 ZINC000610471806 361404376 /nfs/dbraw/zinc/40/43/76/361404376.db2.gz RZSHEMKRWHTNOD-UHFFFAOYSA-N 0 0 313.448 2.444 10 30 DEEERN C[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)c1ccncc1 ZINC000611025365 361514759 /nfs/dbraw/zinc/51/47/59/361514759.db2.gz UQMSITXIHFEPNW-LLVKDONJSA-N 0 0 319.361 2.174 10 30 DEEERN N#CC[C@H](CC(=O)NC1(CCO)CCOCC1)c1ccccc1 ZINC000619442172 363795670 /nfs/dbraw/zinc/79/56/70/363795670.db2.gz XVAADAATBNRKJH-MRXNPFEDSA-N 0 0 316.401 2.122 10 30 DEEERN Cn1cc(C(=O)NCc2ccc(C#N)cc2F)c(C(F)F)n1 ZINC000611108426 361527423 /nfs/dbraw/zinc/52/74/23/361527423.db2.gz MUGODYIUIYZYRO-UHFFFAOYSA-N 0 0 308.263 2.298 10 30 DEEERN C[C@@H](NC(=O)N1CCSC[C@@H]1CCO)c1cccc(C#N)c1 ZINC000611396284 361590878 /nfs/dbraw/zinc/59/08/78/361590878.db2.gz YLSREAOKHOYBQM-DOMZBBRYSA-N 0 0 319.430 2.129 10 30 DEEERN Cn1ccnc1C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1ccccc1 ZINC000611472302 361605563 /nfs/dbraw/zinc/60/55/63/361605563.db2.gz DWOJBLJIVSBWER-INIZCTEOSA-N 0 0 319.368 2.334 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](CO)CC1CC1 ZINC000611295625 361574666 /nfs/dbraw/zinc/57/46/66/361574666.db2.gz GETRECACOLCYPN-RDJZCZTQSA-N 0 0 316.401 2.239 10 30 DEEERN CO[C@H]1CCC[C@@H]1CNC(=O)NCc1ccc(C#N)cc1F ZINC000611375118 361587299 /nfs/dbraw/zinc/58/72/99/361587299.db2.gz CEVYLKXQTCFHIR-HIFRSBDPSA-N 0 0 305.353 2.312 10 30 DEEERN C[C@H](C[C@H]1CCOC1)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000611543393 361626765 /nfs/dbraw/zinc/62/67/65/361626765.db2.gz GTTWMZUOFIESLL-XNJGSVPQSA-N 0 0 324.421 2.179 10 30 DEEERN CCN(C[C@@H]1CCOC1)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000611555551 361629813 /nfs/dbraw/zinc/62/98/13/361629813.db2.gz IUPPYIZRWNCNDD-SUMWQHHRSA-N 0 0 324.421 2.133 10 30 DEEERN Cc1nccc(CSCC(=O)NCc2cccc(C#N)c2)n1 ZINC000619469784 363806318 /nfs/dbraw/zinc/80/63/18/363806318.db2.gz UPYLKRCOWFMWQO-UHFFFAOYSA-N 0 0 312.398 2.206 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@H](CC)[C@H]2CCCCO2)C1 ZINC000612045336 361730362 /nfs/dbraw/zinc/73/03/62/361730362.db2.gz SCVYNKWWNVYCEO-BZUAXINKSA-N 0 0 322.449 2.265 10 30 DEEERN C=CCOCCN[C@H](C(=O)OC)c1c(F)cccc1Cl ZINC000612052178 361731007 /nfs/dbraw/zinc/73/10/07/361731007.db2.gz RSKYVQJCTROAIN-ZDUSSCGKSA-N 0 0 301.745 2.485 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000619557352 363825473 /nfs/dbraw/zinc/82/54/73/363825473.db2.gz HCTAJJKZNUXSOK-WFASDCNBSA-N 0 0 321.348 2.323 10 30 DEEERN C[C@H](C(=O)Nc1cnc(-c2ccccc2)s1)n1cnc(C#N)n1 ZINC000619598354 363837890 /nfs/dbraw/zinc/83/78/90/363837890.db2.gz FEVMNCIGRJQVOT-SNVBAGLBSA-N 0 0 324.369 2.473 10 30 DEEERN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCCC#N ZINC000619800883 363878987 /nfs/dbraw/zinc/87/89/87/363878987.db2.gz HKUWLHNVBXLHIJ-AGUYFDCRSA-N 0 0 301.394 2.144 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(OCCOC)c1 ZINC000620305831 364014366 /nfs/dbraw/zinc/01/43/66/364014366.db2.gz SKSOLWSEDYZCPL-GASCZTMLSA-N 0 0 302.374 2.430 10 30 DEEERN CC(=O)c1cccc(O[C@@H](C)C(=O)N2CC[C@](C)(C#N)C2)c1 ZINC000620302020 364012972 /nfs/dbraw/zinc/01/29/72/364012972.db2.gz ZZWGDQNAFJGFKG-SUMWQHHRSA-N 0 0 300.358 2.419 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000620305515 364013960 /nfs/dbraw/zinc/01/39/60/364013960.db2.gz KCCHNPIOEVSLHP-GASCZTMLSA-N 0 0 320.339 2.404 10 30 DEEERN C=C[C@H](CO)NC(=O)C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000620592731 364087018 /nfs/dbraw/zinc/08/70/18/364087018.db2.gz WOTKVORIKDKOCE-LLVKDONJSA-N 0 0 315.291 2.280 10 30 DEEERN C=CC(C)(C)CNC(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621525632 364439141 /nfs/dbraw/zinc/43/91/41/364439141.db2.gz RXNYGCPQNUEPCT-CQSZACIVSA-N 0 0 322.430 2.168 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CCc2nc(-c3ccncc3)no2)C1 ZINC000628484098 366864174 /nfs/dbraw/zinc/86/41/74/366864174.db2.gz DMSXUFARPITDHF-ZDUSSCGKSA-N 0 0 312.373 2.489 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1cc(O)cc(C(F)(F)F)c1 ZINC000622095616 364661625 /nfs/dbraw/zinc/66/16/25/364661625.db2.gz VJXFIBRWMJSFJH-NSHDSACASA-N 0 0 303.280 2.468 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1ccc(O)cc1 ZINC000622135092 364677236 /nfs/dbraw/zinc/67/72/36/364677236.db2.gz WTIUISRGTZPFSK-BBRMVZONSA-N 0 0 316.401 2.373 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc2ccccc2n1CC ZINC000622772963 364792893 /nfs/dbraw/zinc/79/28/93/364792893.db2.gz JGBINTNSNLOHRJ-CQSZACIVSA-N 0 0 314.389 2.466 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000623003833 364853212 /nfs/dbraw/zinc/85/32/12/364853212.db2.gz XGLJGOHANDOFRU-IUODEOHRSA-N 0 0 307.415 2.375 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cnn(CCOCC)c1 ZINC000623018138 364857394 /nfs/dbraw/zinc/85/73/94/364857394.db2.gz XMVNYIOYIQINMM-UHFFFAOYSA-N 0 0 305.300 2.110 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(CC(F)F)CC1CCC1 ZINC000622834503 364808525 /nfs/dbraw/zinc/80/85/25/364808525.db2.gz OQUWIRHBZZMMSZ-CYBMUJFWSA-N 0 0 302.365 2.351 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCCc2ccc(OC)cc21 ZINC000622970796 364846016 /nfs/dbraw/zinc/84/60/16/364846016.db2.gz SSRQNZLPUDQNJW-MRXNPFEDSA-N 0 0 316.401 2.445 10 30 DEEERN C=CCNC(=O)Nc1ccc(NC(=O)[C@H](O)C2CCC2)cc1 ZINC000449262500 240271321 /nfs/dbraw/zinc/27/13/21/240271321.db2.gz HWCHDJNHRLLGBY-CQSZACIVSA-N 0 0 303.362 2.094 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCCN2C(=O)Cc3ccccc32)C1 ZINC000623541530 365069682 /nfs/dbraw/zinc/06/96/82/365069682.db2.gz NZWNOYRNYWGWMR-AWEZNQCLSA-N 0 0 313.401 2.183 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2ccnc(-n3cccn3)c2)C1 ZINC000623414004 365021130 /nfs/dbraw/zinc/02/11/30/365021130.db2.gz PPSPCRDHLBOELF-CQSZACIVSA-N 0 0 311.389 2.375 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2ccc(NC(C)=O)nc2)C1 ZINC000623960417 365234632 /nfs/dbraw/zinc/23/46/32/365234632.db2.gz WLSMYEFPZUWVHJ-CYBMUJFWSA-N 0 0 302.378 2.148 10 30 DEEERN C=CCn1cc(CNC(=O)NCC[C@@H]2CCCC2(C)C)nn1 ZINC000624242193 365348299 /nfs/dbraw/zinc/34/82/99/365348299.db2.gz DXMVMKKXMRUTBX-ZDUSSCGKSA-N 0 0 305.426 2.480 10 30 DEEERN C=CCN(C)C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000624607402 365486912 /nfs/dbraw/zinc/48/69/12/365486912.db2.gz PTCSXFVGUHNSTI-OAHLLOKOSA-N 0 0 323.824 2.373 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000449878116 241197763 /nfs/dbraw/zinc/19/77/63/241197763.db2.gz WHLJEKRYSBDNHY-MFKMUULPSA-N 0 0 301.296 2.461 10 30 DEEERN C=CCCn1cc(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)nn1 ZINC000629657654 367289288 /nfs/dbraw/zinc/28/92/88/367289288.db2.gz CBRISSIOLHUSGH-AWEZNQCLSA-N 0 0 312.373 2.190 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2ccc(OCCOC)cc2)C1=O ZINC000630501710 367692296 /nfs/dbraw/zinc/69/22/96/367692296.db2.gz BZOFVRLLGDUQMS-AWEZNQCLSA-N 0 0 304.346 2.103 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cccc(OCCOC)c2)C1=O ZINC000630503616 367693291 /nfs/dbraw/zinc/69/32/91/367693291.db2.gz VICZWPJNZNVWKG-AWEZNQCLSA-N 0 0 304.346 2.103 10 30 DEEERN CC(=O)CCCc1cn(-c2cc(C(F)(F)F)cnc2C#N)nn1 ZINC000630587527 367741739 /nfs/dbraw/zinc/74/17/39/367741739.db2.gz VACDRDKTZRINHJ-UHFFFAOYSA-N 0 0 323.278 2.464 10 30 DEEERN C=C1CC(C)(C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)C1 ZINC000630756059 367831335 /nfs/dbraw/zinc/83/13/35/367831335.db2.gz RLHQLPUDVUVBAA-UHFFFAOYSA-N 0 0 313.357 2.380 10 30 DEEERN C=CCN(C(=O)c1cscc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000630798079 367850241 /nfs/dbraw/zinc/85/02/41/367850241.db2.gz ZEYJSEQRLUATQB-SECBINFHSA-N 0 0 319.835 2.217 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O ZINC000630962491 367937965 /nfs/dbraw/zinc/93/79/65/367937965.db2.gz CCZIQKAKJBXKLV-LBPRGKRZSA-N 0 0 304.346 2.090 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2cccc(NC(C)=O)c2)C1=O ZINC000630967727 367941586 /nfs/dbraw/zinc/94/15/86/367941586.db2.gz PJZSRNLIMZJXJO-CQSZACIVSA-N 0 0 301.346 2.032 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@H]2CCN(c3ccccc3)C2)C1=O ZINC000630967749 367941751 /nfs/dbraw/zinc/94/17/51/367941751.db2.gz NOKRVCLLBSBJOX-GOEBONIOSA-N 0 0 313.401 2.400 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccc(OC)c(OCC)c2)C1=O ZINC000630974455 367945116 /nfs/dbraw/zinc/94/51/16/367945116.db2.gz RCWQNOZHXDCKRU-CYBMUJFWSA-N 0 0 318.373 2.481 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2CCOc3cc(OC)ccc32)C1=O ZINC000630976249 367946665 /nfs/dbraw/zinc/94/66/65/367946665.db2.gz NFNCWGKTUNVAMX-KBPBESRZSA-N 0 0 316.357 2.405 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H](C)Oc2cccc(F)c2)C1=O ZINC000630978433 367947708 /nfs/dbraw/zinc/94/77/08/367947708.db2.gz ZWBWSKYCWDQGBW-RISCZKNCSA-N 0 0 306.337 2.480 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H](CCCO)c2ccccc2)C1=O ZINC000630980845 367948757 /nfs/dbraw/zinc/94/87/57/367948757.db2.gz DJFCVMZCASTJPU-CABCVRRESA-N 0 0 302.374 2.387 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@](C)(OC)c2ccccc2)C1=O ZINC000630982234 367949321 /nfs/dbraw/zinc/94/93/21/367949321.db2.gz JYYMWCYTEHYYLX-WMLDXEAASA-N 0 0 302.374 2.435 10 30 DEEERN CCc1ccc([C@H]2CN(C(=O)c3ccc(C#N)n3C)CCN2)cc1 ZINC000451663820 243284774 /nfs/dbraw/zinc/28/47/74/243284774.db2.gz MTXNOFIFJHFJAM-QGZVFWFLSA-N 0 0 322.412 2.246 10 30 DEEERN N#Cc1cc(Br)ccc1C(=O)NC[C@@H](CO)C1CC1 ZINC000452183173 244026558 /nfs/dbraw/zinc/02/65/58/244026558.db2.gz QWZRKBNFWFVGEA-NSHDSACASA-N 0 0 323.190 2.069 10 30 DEEERN CC(=O)C[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000093475242 193256618 /nfs/dbraw/zinc/25/66/18/193256618.db2.gz MQGBJZARGSRHIQ-CQSZACIVSA-N 0 0 306.387 2.081 10 30 DEEERN Cc1cc(=O)[nH]c(S[C@H]2CCC[C@](C#N)(NC(C)C)C2)n1 ZINC000093746989 193299471 /nfs/dbraw/zinc/29/94/71/193299471.db2.gz POMTUTZDAFWOCV-WFASDCNBSA-N 0 0 306.435 2.373 10 30 DEEERN Cc1cc(=O)[nH]c(S[C@H]2CCC[C@@](C#N)(NC3CC3)C2)n1 ZINC000093746983 193300827 /nfs/dbraw/zinc/30/08/27/193300827.db2.gz IRLIHEVOKFLOKY-SWLSCSKDSA-N 0 0 304.419 2.127 10 30 DEEERN CCCc1cc(=O)[nH]c(S[C@H]2CC[C@@](C#N)(NCC)C2)n1 ZINC000093806302 193309358 /nfs/dbraw/zinc/30/93/58/193309358.db2.gz IKPUCJPDNYOCIA-SWLSCSKDSA-N 0 0 306.435 2.239 10 30 DEEERN C[C@@H](Cc1ccco1)NC(=O)c1csc(C#CCCO)c1 ZINC000093974387 193333096 /nfs/dbraw/zinc/33/30/96/193333096.db2.gz CNKPMAOMHRLPQN-LBPRGKRZSA-N 0 0 303.383 2.436 10 30 DEEERN CC1(C)CCCC[C@@H]1NS(=O)(=O)c1ccc(N)cc1C#N ZINC000094322113 193359833 /nfs/dbraw/zinc/35/98/33/193359833.db2.gz BKGITRQYCYPOJU-AWEZNQCLSA-N 0 0 307.419 2.388 10 30 DEEERN C[C@H]1OCC[C@@H]1C(=O)Nc1cc(C#CCCO)ccc1Cl ZINC000094179972 193347008 /nfs/dbraw/zinc/34/70/08/193347008.db2.gz SLKNXYUMHBHONV-YPMHNXCESA-N 0 0 307.777 2.437 10 30 DEEERN OCC#Cc1ccccc1O[C@H]1CCO[C@]2(CCSC2)C1 ZINC000094408381 193367780 /nfs/dbraw/zinc/36/77/80/193367780.db2.gz GEBJWBPRGYDKMU-DOTOQJQBSA-N 0 0 304.411 2.464 10 30 DEEERN C#CCN1C(=O)N=C(N)[C@@H]1c1cc(Br)ccc1F ZINC000094516888 193376323 /nfs/dbraw/zinc/37/63/23/193376323.db2.gz JHCSMMSKDYIRPJ-JTQLQIEISA-N 0 0 310.126 2.055 10 30 DEEERN C=CCN1C(=O)N=C(N)[C@H]1c1cc(Cl)c2c(c1)OCCO2 ZINC000094516547 193376877 /nfs/dbraw/zinc/37/68/77/193376877.db2.gz AFJMGBISUIREBF-LLVKDONJSA-N 0 0 307.737 2.131 10 30 DEEERN Cc1cc(C(=O)NCC[C@@H]2CCCO2)sc1C#CCCO ZINC000094534972 193377254 /nfs/dbraw/zinc/37/72/54/193377254.db2.gz GYPBFOBJNDXLTE-ZDUSSCGKSA-N 0 0 307.415 2.089 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N(C)[C@@H](C)C(C)(C)O ZINC000453864638 245331664 /nfs/dbraw/zinc/33/16/64/245331664.db2.gz CXWVJCZYVIMXLV-ZDUSSCGKSA-N 0 0 318.417 2.362 10 30 DEEERN C=CC(C)(C)CNC(=O)C(=O)N1CCc2cc(F)c(F)cc21 ZINC000453884954 245339638 /nfs/dbraw/zinc/33/96/38/245339638.db2.gz YJJPAWYEZYVMDZ-UHFFFAOYSA-N 0 0 308.328 2.182 10 30 DEEERN C=CCNC(=O)[C@H](C)Oc1ccc(Br)cc1CO ZINC000015391613 182000090 /nfs/dbraw/zinc/00/00/90/182000090.db2.gz IJFLIQYDOGJGAH-VIFPVBQESA-N 0 0 314.179 2.011 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)NC[C@@H]1CCC[C@H]1O ZINC000266400980 205319088 /nfs/dbraw/zinc/31/90/88/205319088.db2.gz MFBQEYFEUMKEMH-SMDDNHRTSA-N 0 0 306.337 2.120 10 30 DEEERN C[C@@H](C(=O)Nc1nc2ccc(N)cc2s1)N(C)CCC#N ZINC000019996086 182175600 /nfs/dbraw/zinc/17/56/00/182175600.db2.gz FKHXCSKYNZJYCZ-VIFPVBQESA-N 0 0 303.391 2.051 10 30 DEEERN C=CC[C@@H]([NH3+])C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)[O-] ZINC000160253190 197395737 /nfs/dbraw/zinc/39/57/37/197395737.db2.gz DOFWZPMVYFBQMA-SECBINFHSA-N 0 0 302.252 2.246 10 30 DEEERN CCC(=O)N[C@H]1CCCN(C(=O)Nc2cccc(CC#N)c2)C1 ZINC000455910212 246841620 /nfs/dbraw/zinc/84/16/20/246841620.db2.gz CJCYIIVEBONSDW-HNNXBMFYSA-N 0 0 314.389 2.275 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCc1ccccc1 ZINC000456416934 247176249 /nfs/dbraw/zinc/17/62/49/247176249.db2.gz PXZRCCXHVRNZEB-CABCVRRESA-N 0 0 302.418 2.452 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@@H]2COCC2(C)C)c(OC)c1 ZINC000456507467 247240972 /nfs/dbraw/zinc/24/09/72/247240972.db2.gz BEMQPUAONLRCOC-MRXNPFEDSA-N 0 0 319.401 2.344 10 30 DEEERN C=CCC[C@H](NC(=O)[C@@H](C)c1ncccc1F)C(=O)OCC ZINC000456599786 247300214 /nfs/dbraw/zinc/30/02/14/247300214.db2.gz CRCPBKWNJWWILR-AAEUAGOBSA-N 0 0 308.353 2.338 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@@H]1COc2c1ccc(C)c2C ZINC000458253513 248235296 /nfs/dbraw/zinc/23/52/96/248235296.db2.gz IGPCZSCBLQOEEG-UKRRQHHQSA-N 0 0 304.390 2.363 10 30 DEEERN C=CCC[C@H](CO)NC(=O)NC1CCC(c2nc(C)no2)CC1 ZINC000458539735 248362364 /nfs/dbraw/zinc/36/23/64/248362364.db2.gz VYMWYSMYEVQMKI-JXQTWKCFSA-N 0 0 322.409 2.031 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H](COC)CC1 ZINC000458746979 248465518 /nfs/dbraw/zinc/46/55/18/248465518.db2.gz YOXZFVSQIBCICI-OAGGEKHMSA-N 0 0 310.438 2.426 10 30 DEEERN CN1CCOc2ccc(NC(=O)c3ccc(C#N)cc3)cc2C1=O ZINC000038708331 183007259 /nfs/dbraw/zinc/00/72/59/183007259.db2.gz ZGFXYHJAADYPOO-UHFFFAOYSA-N 0 0 321.336 2.275 10 30 DEEERN C=CCNc1ncnc(Nc2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000040584115 183104968 /nfs/dbraw/zinc/10/49/68/183104968.db2.gz QDIMCFYMJUMTIF-UHFFFAOYSA-N 0 0 315.289 2.455 10 30 DEEERN CC(C)(C)Nc1ncnc(N(CCC#N)CCC#N)c1[N+](=O)[O-] ZINC000040581609 183105117 /nfs/dbraw/zinc/10/51/17/183105117.db2.gz WFIYSSXRSPGELR-UHFFFAOYSA-N 0 0 317.353 2.229 10 30 DEEERN C[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CSCN3)sc2C1 ZINC000040852910 183141768 /nfs/dbraw/zinc/14/17/68/183141768.db2.gz HPFRGVMACSPSAQ-KCJUWKMLSA-N 0 0 307.444 2.346 10 30 DEEERN Cc1ccc(Sc2ncnc(N(CC#N)CC#N)c2N)cc1 ZINC000040736681 183127427 /nfs/dbraw/zinc/12/74/27/183127427.db2.gz QZNPVYVZSMCQGU-UHFFFAOYSA-N 0 0 310.386 2.372 10 30 DEEERN CN(c1cccc(N)c1)S(=O)(=O)Cc1ccccc1C#N ZINC000041022525 183156770 /nfs/dbraw/zinc/15/67/70/183156770.db2.gz IPQDRMWYAXZFQM-UHFFFAOYSA-N 0 0 301.371 2.107 10 30 DEEERN N#CCCN(c1ccccc1)S(=O)(=O)c1cc(N)cs1 ZINC000041067835 183161902 /nfs/dbraw/zinc/16/19/02/183161902.db2.gz MVLCLWSCGIJGOE-UHFFFAOYSA-N 0 0 307.400 2.439 10 30 DEEERN N#Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)cc1 ZINC000041230494 183179818 /nfs/dbraw/zinc/17/98/18/183179818.db2.gz RYPZXMSIFBALGA-LLVKDONJSA-N 0 0 311.263 2.050 10 30 DEEERN COc1cccc([C@@H](C#N)N2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC000041258961 183182056 /nfs/dbraw/zinc/18/20/56/183182056.db2.gz NAGZVHVHBKZBLP-MRXNPFEDSA-N 0 0 315.417 2.450 10 30 DEEERN C=CCNC(=O)[C@H](C)Oc1c(Br)cccc1C=O ZINC000042412044 183266307 /nfs/dbraw/zinc/26/63/07/183266307.db2.gz AWSZPIWWGBZPHQ-VIFPVBQESA-N 0 0 312.163 2.331 10 30 DEEERN CCN(CC/C(N)=N/O)C(=O)c1cccc(Br)c1 ZINC000042453903 183272284 /nfs/dbraw/zinc/27/22/84/183272284.db2.gz XEOULTJIZBKYBX-UHFFFAOYSA-N 0 0 314.183 2.048 10 30 DEEERN CC(C)CN(CCC#N)S(=O)(=O)c1cccc([C@H](C)O)c1 ZINC000043423108 183361696 /nfs/dbraw/zinc/36/16/96/183361696.db2.gz ZCOGCZQZSHARIN-ZDUSSCGKSA-N 0 0 310.419 2.300 10 30 DEEERN C[C@]1(Nc2c(C#N)cnc3ccccc32)CCS(=O)(=O)C1 ZINC000044933072 183460264 /nfs/dbraw/zinc/46/02/64/183460264.db2.gz OTOMLGQRHMMURM-HNNXBMFYSA-N 0 0 301.371 2.096 10 30 DEEERN CC(C)(C)CN(CCC#N)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000104627501 194021274 /nfs/dbraw/zinc/02/12/74/194021274.db2.gz VUSAMFNXTKURJH-UHFFFAOYSA-N 0 0 314.389 2.118 10 30 DEEERN N#CCN1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000159517891 197360078 /nfs/dbraw/zinc/36/00/78/197360078.db2.gz OCRPNTXYVNYUMV-UHFFFAOYSA-N 0 0 315.602 2.143 10 30 DEEERN N#CCSCCCN1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000159460108 197355551 /nfs/dbraw/zinc/35/55/51/197355551.db2.gz FPLXSTMYSCBGTH-ZIAGYGMSSA-N 0 0 310.419 2.051 10 30 DEEERN C=C(Br)CN1CCN(Cc2cnc(C)s2)CC1 ZINC000105911040 194167592 /nfs/dbraw/zinc/16/75/92/194167592.db2.gz JWJOYXLYPJUXGS-UHFFFAOYSA-N 0 0 316.268 2.478 10 30 DEEERN N#Cc1cnc(NCc2cccc(NC(=O)[C@H]3CCCO3)c2)cn1 ZINC000106465058 194219235 /nfs/dbraw/zinc/21/92/35/194219235.db2.gz DLYCEVXGYVDOTL-OAHLLOKOSA-N 0 0 323.356 2.078 10 30 DEEERN O=C(NCc1ccccc1C#CCCO)c1cc(Cl)c[nH]1 ZINC000049589193 183744520 /nfs/dbraw/zinc/74/45/20/183744520.db2.gz KZDFRJDXUAWHAL-UHFFFAOYSA-N 0 0 302.761 2.332 10 30 DEEERN O=C(NCc1cc(C#CCO)ccc1F)c1cc(Cl)c[nH]1 ZINC000049588779 183744632 /nfs/dbraw/zinc/74/46/32/183744632.db2.gz NLDMHDGTZWREFI-UHFFFAOYSA-N 0 0 306.724 2.081 10 30 DEEERN CN1CC[C@H](CNS(=O)(=O)CCCCC#N)c2ccccc21 ZINC000109339830 194258390 /nfs/dbraw/zinc/25/83/90/194258390.db2.gz JRJXUAPMKKILMX-CQSZACIVSA-N 0 0 321.446 2.223 10 30 DEEERN O=C(COc1cccc(Cl)c1)Nc1ncc(C#CCO)s1 ZINC000051018651 183811807 /nfs/dbraw/zinc/81/18/07/183811807.db2.gz XJHMVLAHICFOMN-UHFFFAOYSA-N 0 0 322.773 2.158 10 30 DEEERN CC[C@@H](C#N)N1CCN(C(=O)c2cc(Cl)ccc2O)CC1 ZINC000109446405 194263910 /nfs/dbraw/zinc/26/39/10/194263910.db2.gz MKMCCFKDOWIPBH-LBPRGKRZSA-N 0 0 307.781 2.106 10 30 DEEERN COCCN(CCC#N)Cc1ccc(Br)c(N)c1 ZINC000159354204 197347252 /nfs/dbraw/zinc/34/72/52/197347252.db2.gz YDIIPAHCSHYPTH-UHFFFAOYSA-N 0 0 312.211 2.393 10 30 DEEERN C#CCN[C@H](C(=O)OCC)c1cc(Br)ccc1F ZINC000051965042 183844207 /nfs/dbraw/zinc/84/42/07/183844207.db2.gz ATKCMHFOHMRXST-LBPRGKRZSA-N 0 0 314.154 2.415 10 30 DEEERN C[C@@H](NS(=O)(=O)C(C)(C)C)c1cccc(C#CCCO)c1 ZINC000111073210 194389652 /nfs/dbraw/zinc/38/96/52/194389652.db2.gz XYRCEWAHRYVFFV-CYBMUJFWSA-N 0 0 309.431 2.199 10 30 DEEERN N#Cc1ccc(CS(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000111090734 194389899 /nfs/dbraw/zinc/38/98/99/194389899.db2.gz ZABRMEIYAJOFHO-ARFHVFGLSA-N 0 0 304.415 2.414 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NC[C@]1(O)CCc2ccccc21 ZINC000159320614 197344782 /nfs/dbraw/zinc/34/47/82/197344782.db2.gz AWAUYGWXTQPTAZ-LJQANCHMSA-N 0 0 306.365 2.431 10 30 DEEERN C[C@@H](C#N)CN(C)C(=O)c1cc(N)c(F)cc1Br ZINC000061080016 184161379 /nfs/dbraw/zinc/16/13/79/184161379.db2.gz VDWCKWOAJXEFAX-ZETCQYMHSA-N 0 0 314.158 2.402 10 30 DEEERN CN(CCC#N)C(=O)c1cc(N)c(F)cc1Br ZINC000061079580 184161492 /nfs/dbraw/zinc/16/14/92/184161492.db2.gz DLEAJQLMGOMAJU-UHFFFAOYSA-N 0 0 300.131 2.156 10 30 DEEERN CC(C)CN(CCC#N)c1nc(Cl)nc(-n2cccn2)n1 ZINC000061540630 184173680 /nfs/dbraw/zinc/17/36/80/184173680.db2.gz VSRKCXSGUJJKTR-UHFFFAOYSA-N 0 0 305.773 2.087 10 30 DEEERN Cc1nnsc1C(=O)Nc1cc(C#CCCO)ccc1Cl ZINC000061691696 184183035 /nfs/dbraw/zinc/18/30/35/184183035.db2.gz BIHZGQCAPGSQIK-UHFFFAOYSA-N 0 0 321.789 2.486 10 30 DEEERN N#Cc1ncn(-c2c(N)cnc3ccc(Br)cc32)n1 ZINC000061841599 184189602 /nfs/dbraw/zinc/18/96/02/184189602.db2.gz AORSTRNAYVKTRH-UHFFFAOYSA-N 0 0 315.134 2.032 10 30 DEEERN N#Cc1cccc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000062191775 184218383 /nfs/dbraw/zinc/21/83/83/184218383.db2.gz MSHRGYCZKUHFLF-INIZCTEOSA-N 0 0 323.327 2.011 10 30 DEEERN CCS(=O)(=O)c1ccc(C(=O)NC2(C#N)CCCC2)cc1 ZINC000063810115 184289277 /nfs/dbraw/zinc/28/92/77/184289277.db2.gz HDPDLSRUJABNFK-UHFFFAOYSA-N 0 0 306.387 2.046 10 30 DEEERN CSc1ccc(N2C[C@@H](C(=O)N(C)CCC#N)CC2=O)cc1 ZINC000247981658 532975680 /nfs/dbraw/zinc/97/56/80/532975680.db2.gz JODPDXKZSZEQFY-LBPRGKRZSA-N 0 0 317.414 2.133 10 30 DEEERN C=C1CCN(S(=O)(=O)c2ccc(C)cc2C(=O)OC)CC1 ZINC000270073549 208130414 /nfs/dbraw/zinc/13/04/14/208130414.db2.gz ZVOIQYDDKBAUTA-UHFFFAOYSA-N 0 0 309.387 2.122 10 30 DEEERN C[C@H](C(=O)N(C)[C@H]1CCCc2ccccc21)n1cnc(C#N)n1 ZINC000539504735 285079026 /nfs/dbraw/zinc/07/90/26/285079026.db2.gz PWJKBXJGJHQWHE-DOMZBBRYSA-N 0 0 309.373 2.247 10 30 DEEERN C#CC[C@@H](NC(=O)NCCCN1CCCC1=O)c1ccccc1 ZINC000270164853 208227750 /nfs/dbraw/zinc/22/77/50/208227750.db2.gz ZNUWKMJMAXTDLQ-MRXNPFEDSA-N 0 0 313.401 2.063 10 30 DEEERN C#C[C@@H](C)Nc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000158998138 197317592 /nfs/dbraw/zinc/31/75/92/197317592.db2.gz GWMDFZKWDLMSLG-ZCFIWIBFSA-N 0 0 324.100 2.002 10 30 DEEERN Cc1ccnc(SCCS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000158830501 197304956 /nfs/dbraw/zinc/30/49/56/197304956.db2.gz MNLDLQJOJBBIEA-UHFFFAOYSA-N 0 0 319.411 2.223 10 30 DEEERN C=CCOc1cccc(NC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c1 ZINC000120235960 195123890 /nfs/dbraw/zinc/12/38/90/195123890.db2.gz DPBIQHQKLFVQFL-QWHCGFSZSA-N 0 0 317.389 2.369 10 30 DEEERN Cc1ccc(N)c(NS(=O)(=O)Cc2ccccc2C#N)c1 ZINC000158592882 197287085 /nfs/dbraw/zinc/28/70/85/197287085.db2.gz LTBNVGBPCQUGPG-UHFFFAOYSA-N 0 0 301.371 2.391 10 30 DEEERN C=CCCS(=O)(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000120314694 195141258 /nfs/dbraw/zinc/14/12/58/195141258.db2.gz IGHVEZXQEGHPDR-ZDUSSCGKSA-N 0 0 309.387 2.458 10 30 DEEERN CSC(C)(C)CNC(=O)c1cc(C#CCCO)ccc1F ZINC000157176176 197167745 /nfs/dbraw/zinc/16/77/45/197167745.db2.gz GQRVYBDLGQXOMS-UHFFFAOYSA-N 0 0 309.406 2.431 10 30 DEEERN C#CCn1ncc(N[C@@H](C)[C@@H](C)CC)c(Br)c1=O ZINC000156791903 197141556 /nfs/dbraw/zinc/14/15/56/197141556.db2.gz FATBMLTYSKVPDO-UWVGGRQHSA-N 0 0 312.211 2.486 10 30 DEEERN CC[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1nccs1 ZINC000120339934 195145985 /nfs/dbraw/zinc/14/59/85/195145985.db2.gz ALIOTXQZBFHLCT-GFCCVEGCSA-N 0 0 314.370 2.221 10 30 DEEERN C=C(C)CNC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000156285396 197101439 /nfs/dbraw/zinc/10/14/39/197101439.db2.gz OOKPBBFAESGIKA-HIFRSBDPSA-N 0 0 321.808 2.487 10 30 DEEERN C#CCOc1ccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000156276421 197100271 /nfs/dbraw/zinc/10/02/71/197100271.db2.gz BAASVXHQYVWIMV-HNNXBMFYSA-N 0 0 309.369 2.062 10 30 DEEERN N#CC1(C(=O)NCCCCOCc2ccccc2)CCOCC1 ZINC000109141789 224572830 /nfs/dbraw/zinc/57/28/30/224572830.db2.gz HNHVBOGEOFTCEI-UHFFFAOYSA-N 0 0 316.401 2.420 10 30 DEEERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Nc1cccc(C#N)c1)CC2 ZINC000120957438 195271271 /nfs/dbraw/zinc/27/12/71/195271271.db2.gz WPZVAHNCCIFMRX-CQSZACIVSA-N 0 0 324.388 2.410 10 30 DEEERN C#CCOc1ccc(C(=O)N2CCC(c3ccnn3C)CC2)cc1 ZINC000121824044 195354878 /nfs/dbraw/zinc/35/48/78/195354878.db2.gz PSOUKNIZPWBCCS-UHFFFAOYSA-N 0 0 323.396 2.452 10 30 DEEERN COCCN(CCOC)c1cc(Br)ccc1C#N ZINC000123141069 195547516 /nfs/dbraw/zinc/54/75/16/195547516.db2.gz NPDXHJQNULUDCF-UHFFFAOYSA-N 0 0 313.195 2.420 10 30 DEEERN CCc1nnc(-n2cc(Br)c(N)n2)c(C#N)c1CC ZINC000124238827 195619596 /nfs/dbraw/zinc/61/95/96/195619596.db2.gz OJNSGAFHVQAIOT-UHFFFAOYSA-N 0 0 321.182 2.003 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=O)c1cnn2c1CCCC2 ZINC000126048949 195805275 /nfs/dbraw/zinc/80/52/75/195805275.db2.gz BTSAPHJHCBZEDW-UHFFFAOYSA-N 0 0 324.384 2.388 10 30 DEEERN C=CCCOc1c(C)cc(Br)cc1S(N)(=O)=O ZINC000127715793 195903225 /nfs/dbraw/zinc/90/32/25/195903225.db2.gz LKXYIDMWOFVVLH-UHFFFAOYSA-N 0 0 320.208 2.360 10 30 DEEERN CSC1(CNC(=O)NCCOc2ccc(C#N)cc2)CC1 ZINC000194994269 533495459 /nfs/dbraw/zinc/49/54/59/533495459.db2.gz WILLGAQMASJTPL-UHFFFAOYSA-N 0 0 305.403 2.132 10 30 DEEERN CC(=O)c1ccc(C#N)c(NCCC2CCS(=O)(=O)CC2)c1 ZINC000347408513 132759547 /nfs/dbraw/zinc/75/95/47/132759547.db2.gz CAAVYFCSEXKKDY-UHFFFAOYSA-N 0 0 320.414 2.388 10 30 DEEERN N#Cc1ccnc(NC(=O)Cc2ccc(-n3cccn3)cc2)c1 ZINC000357402661 133076126 /nfs/dbraw/zinc/07/61/26/133076126.db2.gz AQJLIRREEMBUNX-UHFFFAOYSA-N 0 0 303.325 2.320 10 30 DEEERN CN(C(=O)c1sccc1C#N)[C@@H](CC(N)=O)c1ccccc1 ZINC000358061850 133118175 /nfs/dbraw/zinc/11/81/75/133118175.db2.gz LWSFWBMSJJTWEU-ZDUSSCGKSA-N 0 0 313.382 2.308 10 30 DEEERN COCc1nccc([C@H]2CCCN(c3cccnc3C#N)C2)n1 ZINC000377993105 133353005 /nfs/dbraw/zinc/35/30/05/133353005.db2.gz CAYONNBLJBAHEJ-ZDUSSCGKSA-N 0 0 309.373 2.274 10 30 DEEERN N#Cc1ccccc1COc1ccc(C(=O)N2CC(CO)C2)cc1 ZINC000122462165 144692603 /nfs/dbraw/zinc/69/26/03/144692603.db2.gz XFZVRQDOXMUJDJ-UHFFFAOYSA-N 0 0 322.364 2.202 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)[C@H]2CC2(Cl)Cl)cn1 ZINC000183680219 144932807 /nfs/dbraw/zinc/93/28/07/144932807.db2.gz HSDMLRWUZNNHOL-SNVBAGLBSA-N 0 0 322.155 2.271 10 30 DEEERN N#Cc1ccc(C2(C(=O)NC[C@H](O)Cc3ccccc3)CC2)cc1 ZINC000188327860 145010591 /nfs/dbraw/zinc/01/05/91/145010591.db2.gz NFMPIOHRLMSLNM-GOSISDBHSA-N 0 0 320.392 2.310 10 30 DEEERN N#Cc1ccc(C2(C(=O)N[C@@H]3c4ccccc4C[C@@H]3O)CC2)cc1 ZINC000188788593 145017308 /nfs/dbraw/zinc/01/73/08/145017308.db2.gz XPBRRVCMMDGFMK-ZWKOTPCHSA-N 0 0 318.376 2.364 10 30 DEEERN CN(CC(=O)OC(C)(C)C)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000189362915 145026146 /nfs/dbraw/zinc/02/61/46/145026146.db2.gz QOIGCMWTTQUEIC-UHFFFAOYSA-N 0 0 314.385 2.390 10 30 DEEERN Cc1nnc([C@H](NCc2cc(C#N)n(C)c2)c2ccccc2)[nH]1 ZINC000190942215 145050252 /nfs/dbraw/zinc/05/02/52/145050252.db2.gz XTDWZYQCHIYZNW-MRXNPFEDSA-N 0 0 306.373 2.203 10 30 DEEERN COc1ccc(OCCCNC(=O)c2ccnc(C#N)c2)cc1 ZINC000192890182 145079975 /nfs/dbraw/zinc/07/99/75/145079975.db2.gz UXIJXBIDTRDFHC-UHFFFAOYSA-N 0 0 311.341 2.161 10 30 DEEERN Cc1ccc(Cn2nccc2NC(=O)c2ccnc(C#N)c2)o1 ZINC000193199831 145083723 /nfs/dbraw/zinc/08/37/23/145083723.db2.gz FJVMJYDHAYBGFT-UHFFFAOYSA-N 0 0 307.313 2.352 10 30 DEEERN N#Cc1cc(C(=O)NCc2ccccc2-n2ccnc2)ccn1 ZINC000193751491 145089747 /nfs/dbraw/zinc/08/97/47/145089747.db2.gz HCNJXQUKQCQKJU-UHFFFAOYSA-N 0 0 303.325 2.069 10 30 DEEERN COC(=O)[C@H](N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1cccc(C#N)c1 ZINC000246294952 145097728 /nfs/dbraw/zinc/09/77/28/145097728.db2.gz UUTMQXUBRYXNMK-RRQGHBQHSA-N 0 0 315.417 2.091 10 30 DEEERN CC[C@H](CSC)N(C)S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000313044342 145355890 /nfs/dbraw/zinc/35/58/90/145355890.db2.gz GPKMHMMGVZFJDW-GFCCVEGCSA-N 0 0 313.448 2.024 10 30 DEEERN Cc1ncc(S(=O)(=O)N(C)Cc2cccs2)cc1C#N ZINC000336840102 145399451 /nfs/dbraw/zinc/39/94/51/145399451.db2.gz PKYKFYRHEIBESL-UHFFFAOYSA-N 0 0 307.400 2.144 10 30 DEEERN Cc1ccc(CNS(=O)(=O)c2cnc(C)c(C#N)c2)s1 ZINC000336831083 145399502 /nfs/dbraw/zinc/39/95/02/145399502.db2.gz COSZUKHHHAYFDT-UHFFFAOYSA-N 0 0 307.400 2.110 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](CO)C1CC1 ZINC000358342570 147116576 /nfs/dbraw/zinc/11/65/76/147116576.db2.gz SIKPTFSHXKIJSF-NVXWUHKLSA-N 0 0 316.401 2.096 10 30 DEEERN CCOC(=O)c1ccc(C#N)c(S[C@@H](C(=O)OC)C2CC2)n1 ZINC000358927079 147232330 /nfs/dbraw/zinc/23/23/30/147232330.db2.gz VMTUFFKGMHDTMV-GFCCVEGCSA-N 0 0 320.370 2.174 10 30 DEEERN Cc1nc(NC(=O)c2c[nH]c(=O)cc2C)sc1SCC#N ZINC000127104222 401720513 /nfs/dbraw/zinc/72/05/13/401720513.db2.gz IZYDIZYBWNIHFQ-UHFFFAOYSA-N 0 0 320.399 2.316 10 30 DEEERN N#Cc1cccc(NC(=O)C(=O)NC[C@H]2C[C@H]2c2ccccc2)c1 ZINC000111921362 401728094 /nfs/dbraw/zinc/72/80/94/401728094.db2.gz ZRZFJZIRUCOUGB-WBVHZDCISA-N 0 0 319.364 2.417 10 30 DEEERN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC2(C)C)cc1 ZINC000077354925 401811331 /nfs/dbraw/zinc/81/13/31/401811331.db2.gz BAQZFRPWHKBJJG-UHFFFAOYSA-N 0 0 322.430 2.166 10 30 DEEERN C=CCNC(=O)N(Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000076996039 401802275 /nfs/dbraw/zinc/80/22/75/401802275.db2.gz UCLPUVZPLPZNBQ-INIZCTEOSA-N 0 0 317.433 2.105 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)NCC1(C)COC1 ZINC000112753092 401757609 /nfs/dbraw/zinc/75/76/09/401757609.db2.gz FPJLVKWTSOTQHR-UHFFFAOYSA-N 0 0 304.390 2.429 10 30 DEEERN CCCN(CC#N)C(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 ZINC000128455192 401777811 /nfs/dbraw/zinc/77/78/11/401777811.db2.gz WYNVYDBRCXYNOF-HOCLYGCPSA-N 0 0 313.401 2.358 10 30 DEEERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)o1 ZINC000077538254 401819671 /nfs/dbraw/zinc/81/96/71/401819671.db2.gz AFMVQKCMDLDLAN-JTQLQIEISA-N 0 0 315.304 2.415 10 30 DEEERN CC[C@@H]1C[C@H](C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CCO1 ZINC000130347411 401828035 /nfs/dbraw/zinc/82/80/35/401828035.db2.gz RSYRFXGJZZFUAF-HUUCEWRRSA-N 0 0 314.385 2.353 10 30 DEEERN Cc1ccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1O ZINC000130552228 401834678 /nfs/dbraw/zinc/83/46/78/401834678.db2.gz VVOJKYVMVCVVCB-UHFFFAOYSA-N 0 0 308.337 2.476 10 30 DEEERN Cn1ccnc1C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000131307465 401847791 /nfs/dbraw/zinc/84/77/91/401847791.db2.gz VUTPIEIBMRLCAO-WMZOPIPTSA-N 0 0 324.428 2.280 10 30 DEEERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)C3(C#N)CCCC3)C2)n1 ZINC000116777483 401858730 /nfs/dbraw/zinc/85/87/30/401858730.db2.gz SNJHVGFXGSJWEP-HNNXBMFYSA-N 0 0 315.421 2.218 10 30 DEEERN C=CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000116858665 401861751 /nfs/dbraw/zinc/86/17/51/401861751.db2.gz STTGKARWNAIPEY-WDEREUQCSA-N 0 0 308.328 2.399 10 30 DEEERN C=CC[C@@H](C)NC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000116861823 401861888 /nfs/dbraw/zinc/86/18/88/401861888.db2.gz FYVYFDVIEANVML-WBMJQRKESA-N 0 0 304.390 2.343 10 30 DEEERN N#CC1(C(=O)Nc2cccc(Cn3cccnc3=O)c2)CCCC1 ZINC000079833017 401881617 /nfs/dbraw/zinc/88/16/17/401881617.db2.gz SLGKXGQXTIEYLT-UHFFFAOYSA-N 0 0 322.368 2.314 10 30 DEEERN CCOC[C@H]1CCN(C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000081499547 401896639 /nfs/dbraw/zinc/89/66/39/401896639.db2.gz YOHGDMHVUXWULI-HNNXBMFYSA-N 0 0 317.389 2.005 10 30 DEEERN C=C[C@@H](CC(=O)NC[C@@H]1CN(C2CC2)CCO1)c1ccccc1 ZINC000134813073 401915637 /nfs/dbraw/zinc/91/56/37/401915637.db2.gz ULJJGBUYGMDPKB-MAUKXSAKSA-N 0 0 314.429 2.326 10 30 DEEERN C=CCN(CC=C)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000045278063 401956137 /nfs/dbraw/zinc/95/61/37/401956137.db2.gz COHAJEBXTFHMFL-AWEZNQCLSA-N 0 0 320.414 2.289 10 30 DEEERN N#CCOc1cccc(CC(=O)N2CCC(c3cc[nH]n3)CC2)c1 ZINC000089831030 401966956 /nfs/dbraw/zinc/96/69/56/401966956.db2.gz TXLKZIFCUCYHFX-UHFFFAOYSA-N 0 0 324.384 2.261 10 30 DEEERN C=CCCS(=O)(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000120227208 401983256 /nfs/dbraw/zinc/98/32/56/401983256.db2.gz YDCNLERYZVBFMS-AWEZNQCLSA-N 0 0 324.446 2.017 10 30 DEEERN CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000150792873 401996115 /nfs/dbraw/zinc/99/61/15/401996115.db2.gz DSSQJUZADASSHX-OAHLLOKOSA-N 0 0 310.357 2.015 10 30 DEEERN CC(C)[C@H]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000135445384 401939567 /nfs/dbraw/zinc/93/95/67/401939567.db2.gz ZCGVEAFANOWTLU-HNNXBMFYSA-N 0 0 306.431 2.310 10 30 DEEERN C=CCN(CCO)c1ccnc2cc(Br)cnc21 ZINC000121344700 402029506 /nfs/dbraw/zinc/02/95/06/402029506.db2.gz JVOMHMFQBIZMEX-UHFFFAOYSA-N 0 0 308.179 2.377 10 30 DEEERN C#CCSCCNC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000121437424 402035653 /nfs/dbraw/zinc/03/56/53/402035653.db2.gz HDNCCHYSWGSLHZ-LBPRGKRZSA-N 0 0 309.460 2.399 10 30 DEEERN CN(C)C(=O)Nc1ccc(C(=O)N[C@H](C#N)C2CC2)c(Cl)c1 ZINC000122864346 402099017 /nfs/dbraw/zinc/09/90/17/402099017.db2.gz SURJIXLYUCRJMT-CYBMUJFWSA-N 0 0 320.780 2.465 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)c1cnn(C)c1 ZINC000123327852 402122119 /nfs/dbraw/zinc/12/21/19/402122119.db2.gz VVMSYTMGMWQSIV-UHFFFAOYSA-N 0 0 301.302 2.319 10 30 DEEERN O=[N+]([O-])c1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000100480854 402141205 /nfs/dbraw/zinc/14/12/05/402141205.db2.gz MQPFQWIWIXAEJE-SDQBBNPISA-N 0 0 321.205 2.450 10 30 DEEERN N#CCOc1ccc(/C=C/C(=O)N2CC[C@]3(CCOC3)C2)cc1 ZINC000153311953 402138828 /nfs/dbraw/zinc/13/88/28/402138828.db2.gz JSAXMDVGXWKFNW-PXPSOEEZSA-N 0 0 312.369 2.241 10 30 DEEERN C=CCCO[C@H](C)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000154004487 402186639 /nfs/dbraw/zinc/18/66/39/402186639.db2.gz VMSRLWYEYWCFPU-SECBINFHSA-N 0 0 305.300 2.036 10 30 DEEERN N#Cc1cccc(NC(=O)c2ccc(-n3cnnn3)cc2Cl)c1 ZINC000103728431 402193533 /nfs/dbraw/zinc/19/35/33/402193533.db2.gz XAGMJDXHDDXWOH-UHFFFAOYSA-N 0 0 324.731 2.440 10 30 DEEERN COc1cccc(C(=O)NCc2ccc(C#N)cc2F)c1O ZINC000103912178 402195134 /nfs/dbraw/zinc/19/51/34/402195134.db2.gz HZWXNFGFVAROIX-UHFFFAOYSA-N 0 0 300.289 2.342 10 30 DEEERN C=C[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000153872560 402175929 /nfs/dbraw/zinc/17/59/29/402175929.db2.gz FTCZCUKDNNUXBP-HIFRSBDPSA-N 0 0 318.392 2.298 10 30 DEEERN C=CCN(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000153865340 402176386 /nfs/dbraw/zinc/17/63/86/402176386.db2.gz XRBNOCWEZLHMIC-OKILXGFUSA-N 0 0 318.421 2.023 10 30 DEEERN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C#N)cn2)c1 ZINC000107436997 402233077 /nfs/dbraw/zinc/23/30/77/402233077.db2.gz YEEGZFAGJIBIHS-LLVKDONJSA-N 0 0 311.341 2.461 10 30 DEEERN C#CCCCCNC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000154885886 402237030 /nfs/dbraw/zinc/23/70/30/402237030.db2.gz LQYIYUONKVCQOM-MRXNPFEDSA-N 0 0 317.437 2.120 10 30 DEEERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H](C#N)C2CC2)C1 ZINC000108842599 402262608 /nfs/dbraw/zinc/26/26/08/402262608.db2.gz NVTNDFOYFBZMGA-QWHCGFSZSA-N 0 0 307.394 2.052 10 30 DEEERN CCc1ccccc1N1C[C@@H](C(=O)N[C@H](C#N)C2CC2)CC1=O ZINC000108833749 402262687 /nfs/dbraw/zinc/26/26/87/402262687.db2.gz KPROWLZXTDMTSW-LSDHHAIUSA-N 0 0 311.385 2.020 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(-c2ccccc2C)nn1C ZINC000184559957 402275784 /nfs/dbraw/zinc/27/57/84/402275784.db2.gz BFWFWPWGRCIYJU-CYBMUJFWSA-N 0 0 314.389 2.454 10 30 DEEERN C#CCCCCNC(=O)C1CCN(C(=O)c2ccoc2)CC1 ZINC000156113660 402276108 /nfs/dbraw/zinc/27/61/08/402276108.db2.gz RAISWIKQXLJXEO-UHFFFAOYSA-N 0 0 302.374 2.052 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](O)c1cc(OC)cc(OC)c1 ZINC000184589567 402280206 /nfs/dbraw/zinc/28/02/06/402280206.db2.gz STJCXIDOJVXEKE-BLLLJJGKSA-N 0 0 307.390 2.456 10 30 DEEERN COC(=O)c1coc(C(=O)NCc2ccc(C#N)cc2F)c1 ZINC000184722761 402294738 /nfs/dbraw/zinc/29/47/38/402294738.db2.gz XUSDEZPEQCAOAX-UHFFFAOYSA-N 0 0 302.261 2.007 10 30 DEEERN C=CCOc1cccc(NC(=O)N[C@](C)(CCO)COC)c1 ZINC000176414588 402306967 /nfs/dbraw/zinc/30/69/67/402306967.db2.gz JRTZNMONAIHCEC-MRXNPFEDSA-N 0 0 308.378 2.160 10 30 DEEERN NC(=O)c1c(=O)[nH]c(C(F)(F)C(F)(F)F)cc1C(F)(F)F ZINC000223381647 402310535 /nfs/dbraw/zinc/31/05/35/402310535.db2.gz PLOAOTSVTSTQJT-UHFFFAOYSA-N 0 0 324.127 2.147 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000185410016 402350773 /nfs/dbraw/zinc/35/07/73/402350773.db2.gz CNIJRIMCDIJHJQ-APPDUMDISA-N 0 0 315.373 2.282 10 30 DEEERN C=CCOCCCC(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000161039999 402370417 /nfs/dbraw/zinc/37/04/17/402370417.db2.gz TYKDVIKZOZGQLS-HNNXBMFYSA-N 0 0 318.417 2.373 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)C(=O)c1ccccc1OC ZINC000185718630 402371484 /nfs/dbraw/zinc/37/14/84/402371484.db2.gz LVLXDJZZYBXZDB-UHFFFAOYSA-N 0 0 301.264 2.455 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(Br)cnc1Cl ZINC000185741084 402373072 /nfs/dbraw/zinc/37/30/72/402373072.db2.gz IPZHSQJAHSAEDE-QMMMGPOBSA-N 0 0 319.586 2.164 10 30 DEEERN C[C@H](Oc1cccc(CO)c1)C(=O)NCc1cccc(C#N)c1 ZINC000159787456 402331240 /nfs/dbraw/zinc/33/12/40/402331240.db2.gz QDHJYGULVNKBPF-ZDUSSCGKSA-N 0 0 310.353 2.134 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1coc(-c2ccccc2)n1 ZINC000186294947 402418649 /nfs/dbraw/zinc/41/86/49/402418649.db2.gz PLWDJXWCKYEPMI-CYBMUJFWSA-N 0 0 301.346 2.078 10 30 DEEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(CC#N)cc1 ZINC000177719013 402430211 /nfs/dbraw/zinc/43/02/11/402430211.db2.gz BYEOSZQSHIGGQC-CQSZACIVSA-N 0 0 310.361 2.309 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177738171 402431410 /nfs/dbraw/zinc/43/14/10/402431410.db2.gz CYAYNRJCTBCOEF-GDBMZVCRSA-N 0 0 324.384 2.213 10 30 DEEERN CC[C@@]1(C(C)C)NC(=O)N(Cc2ccc(OC)c(C#N)c2)C1=O ZINC000163031680 402439684 /nfs/dbraw/zinc/43/96/84/402439684.db2.gz PRCIRQALIOYJMR-KRWDZBQOSA-N 0 0 315.373 2.423 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccccc1COC1CCOCC1 ZINC000185918899 402389424 /nfs/dbraw/zinc/38/94/24/402389424.db2.gz JNSJMXVGRFVDCB-HNNXBMFYSA-N 0 0 319.401 2.049 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1ccc(Br)cc1C ZINC000185951183 402392400 /nfs/dbraw/zinc/39/24/00/402392400.db2.gz RTGOIHRBIXOAIM-CYBMUJFWSA-N 0 0 312.207 2.353 10 30 DEEERN C=C(C)COCCNc1ncc(I)cn1 ZINC000165210748 402474518 /nfs/dbraw/zinc/47/45/18/402474518.db2.gz QBBRMXUXVRBDPH-UHFFFAOYSA-N 0 0 319.146 2.086 10 30 DEEERN CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187029564 402479071 /nfs/dbraw/zinc/47/90/71/402479071.db2.gz BEJUNVLWRFFKPI-INIZCTEOSA-N 0 0 311.429 2.390 10 30 DEEERN CC(C)(C)n1cc(C#N)c(NC(=O)c2cn3ccnc3s2)n1 ZINC000187977892 402514467 /nfs/dbraw/zinc/51/44/67/402514467.db2.gz ZITIEHZHYUCTSG-UHFFFAOYSA-N 0 0 314.374 2.471 10 30 DEEERN CCn1cc([C@@H]2CN(c3nc(C)cc(C)c3C#N)CCO2)cn1 ZINC000189606330 402548170 /nfs/dbraw/zinc/54/81/70/402548170.db2.gz ODSFHYATJRHLQA-INIZCTEOSA-N 0 0 311.389 2.364 10 30 DEEERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@H](C)C#N ZINC000247580713 402572881 /nfs/dbraw/zinc/57/28/81/402572881.db2.gz LJPJJHQYPBEAIK-VNHYZAJKSA-N 0 0 301.390 2.107 10 30 DEEERN Cn1cc(CNC(=O)c2cccc(CC#N)c2)c(C(F)(F)F)n1 ZINC000178642919 402521280 /nfs/dbraw/zinc/52/12/80/402521280.db2.gz STOJPOXGUGEDLA-UHFFFAOYSA-N 0 0 322.290 2.435 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178681670 402525803 /nfs/dbraw/zinc/52/58/03/402525803.db2.gz XYURATNECAVMQA-IWEFOYFVSA-N 0 0 322.364 2.100 10 30 DEEERN COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000190198607 402583792 /nfs/dbraw/zinc/58/37/92/402583792.db2.gz SBWGWRYUPAKKEW-GXTWGEPZSA-N 0 0 318.373 2.337 10 30 DEEERN CC[C@H](C)NC(=O)CCNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000179773649 402600475 /nfs/dbraw/zinc/60/04/75/402600475.db2.gz BCCMRTYIOGCZHS-ZDUSSCGKSA-N 0 0 313.401 2.276 10 30 DEEERN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(C2CC2)CC1 ZINC000180052859 402606438 /nfs/dbraw/zinc/60/64/38/402606438.db2.gz YUHYAJAWBAEQCV-CYBMUJFWSA-N 0 0 314.389 2.289 10 30 DEEERN C[C@@H](NC(=O)NCCCCC#N)c1ccc(S(C)(=O)=O)cc1 ZINC000171728086 402615773 /nfs/dbraw/zinc/61/57/73/402615773.db2.gz JKXDGJOBEDYJAY-GFCCVEGCSA-N 0 0 323.418 2.144 10 30 DEEERN N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCCOC2)c1 ZINC000171868691 402630181 /nfs/dbraw/zinc/63/01/81/402630181.db2.gz HWNVNJQJFDRAKH-OAHLLOKOSA-N 0 0 302.374 2.403 10 30 DEEERN N#Cc1cc(NC(=O)C(=O)NC/C=C/c2ccccc2)ccc1F ZINC000171873255 402630755 /nfs/dbraw/zinc/63/07/55/402630755.db2.gz GTGRRQXDPDPZMS-QPJJXVBHSA-N 0 0 323.327 2.465 10 30 DEEERN CO[C@@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)CC[C@H]1C ZINC000251938185 402651695 /nfs/dbraw/zinc/65/16/95/402651695.db2.gz ULAUSMIETBITKO-MRVWCRGKSA-N 0 0 319.430 2.082 10 30 DEEERN C=CC[C@@H](CO)Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000182661692 402707126 /nfs/dbraw/zinc/70/71/26/402707126.db2.gz UWXQJAYJEKDYBH-LBPRGKRZSA-N 0 0 307.350 2.082 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173908744 402718513 /nfs/dbraw/zinc/71/85/13/402718513.db2.gz SWBVWQUEBVYRIO-UHFFFAOYSA-N 0 0 311.297 2.275 10 30 DEEERN C[C@H]1CSCCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000172614563 402666459 /nfs/dbraw/zinc/66/64/59/402666459.db2.gz QGSJPKRJHYKAMV-VIFPVBQESA-N 0 0 316.835 2.338 10 30 DEEERN N#CC(=NOCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 ZINC000254385189 402670890 /nfs/dbraw/zinc/67/08/90/402670890.db2.gz ILXXWLIPEKWUJT-UHFFFAOYSA-N 0 0 322.324 2.160 10 30 DEEERN CCc1ccc(S(=O)(=O)NN=C(C)c2ccncc2)cc1 ZINC000254845950 402671808 /nfs/dbraw/zinc/67/18/08/402671808.db2.gz PGIZTAIXJPAULP-UHFFFAOYSA-N 0 0 303.387 2.347 10 30 DEEERN CC(C)OC(=O)[C@H](C)CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000174104225 402726632 /nfs/dbraw/zinc/72/66/32/402726632.db2.gz LHLCMCQSYYWJNV-OLZOCXBDSA-N 0 0 318.373 2.029 10 30 DEEERN Cn1cc(N2CCC[C@H](NC(=O)Nc3ccc(C#N)cc3)C2)cn1 ZINC000174308280 402736194 /nfs/dbraw/zinc/73/61/94/402736194.db2.gz JGYIPOVGYYKELZ-HNNXBMFYSA-N 0 0 324.388 2.082 10 30 DEEERN C#CCC(C)(C)C(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000183727814 402792577 /nfs/dbraw/zinc/79/25/77/402792577.db2.gz ZTRKCXBPMIGSNB-CYBMUJFWSA-N 0 0 300.406 2.369 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000183853044 402802042 /nfs/dbraw/zinc/80/20/42/402802042.db2.gz XJGDPVHUNUMBNV-UONOGXRCSA-N 0 0 323.824 2.155 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000183879802 402803127 /nfs/dbraw/zinc/80/31/27/402803127.db2.gz DBECSUTUJBQXLS-HLLBOEOZSA-N 0 0 313.401 2.405 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)COc1ccccc1C=O ZINC000263921013 402820243 /nfs/dbraw/zinc/82/02/43/402820243.db2.gz ZBVRCLGZOZQHKJ-UHFFFAOYSA-N 0 0 301.264 2.455 10 30 DEEERN Cc1nc(C(F)(F)F)c(Cn2nc(C)c(C#N)c2N)s1 ZINC000184206012 402826784 /nfs/dbraw/zinc/82/67/84/402826784.db2.gz VXAGKQXZHTWASU-UHFFFAOYSA-N 0 0 301.297 2.477 10 30 DEEERN C=CCNC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000175151637 402783186 /nfs/dbraw/zinc/78/31/86/402783186.db2.gz OGPZYQMDAAJAHW-HNNXBMFYSA-N 0 0 301.390 2.167 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000278378674 402863827 /nfs/dbraw/zinc/86/38/27/402863827.db2.gz HLBRAOLEBXKRMQ-RNFRBKRXSA-N 0 0 307.297 2.477 10 30 DEEERN CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000264499595 402884412 /nfs/dbraw/zinc/88/44/12/402884412.db2.gz PVBFPSFSJUOUJO-OAHLLOKOSA-N 0 0 313.401 2.325 10 30 DEEERN C=CCCCN(C)C(=O)NCc1cccc(C(=O)N(C)C)c1 ZINC000265596376 402932155 /nfs/dbraw/zinc/93/21/55/402932155.db2.gz LFUKUBQHISJNAI-UHFFFAOYSA-N 0 0 303.406 2.496 10 30 DEEERN CC(C)(C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C#N)C[C@@H]1O ZINC000273313562 402993138 /nfs/dbraw/zinc/99/31/38/402993138.db2.gz NWZHLAQRVIPKIX-OLZOCXBDSA-N 0 0 304.350 2.095 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1coc(-c2ccc(C)cc2)n1 ZINC000273413329 403002616 /nfs/dbraw/zinc/00/26/16/403002616.db2.gz JDZRWDIIVPYFOZ-AWEZNQCLSA-N 0 0 315.373 2.386 10 30 DEEERN C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)Cn1cncn1 ZINC000280600146 403017344 /nfs/dbraw/zinc/01/73/44/403017344.db2.gz FTXXEOPQMZXATG-OAHLLOKOSA-N 0 0 313.405 2.455 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccc(OCCC)c(OC)c1 ZINC000273200857 402982126 /nfs/dbraw/zinc/98/21/26/402982126.db2.gz FCLGWGLVOOBUGD-CQSZACIVSA-N 0 0 322.405 2.220 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000281602132 403073743 /nfs/dbraw/zinc/07/37/43/403073743.db2.gz RXCBWEAPYRFDAK-HUUCEWRRSA-N 0 0 319.453 2.351 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(CO)c(F)c1 ZINC000281653823 403078517 /nfs/dbraw/zinc/07/85/17/403078517.db2.gz XCUPQJONGGPXPG-CZUORRHYSA-N 0 0 322.380 2.098 10 30 DEEERN C=C(C)CCN1C(=O)N[C@@]2(CCc3ccc(OC)cc32)C1=O ZINC000274782442 403087243 /nfs/dbraw/zinc/08/72/43/403087243.db2.gz XZRHZBXBSVENLO-QGZVFWFLSA-N 0 0 300.358 2.355 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCC(CC)CC1 ZINC000282192690 403131298 /nfs/dbraw/zinc/13/12/98/403131298.db2.gz GKKUBZULHURZGI-CQSZACIVSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N(C)Cc1ccoc1C ZINC000282254281 403136861 /nfs/dbraw/zinc/13/68/61/403136861.db2.gz LBHRNJBOTNKLOQ-CQSZACIVSA-N 0 0 318.377 2.090 10 30 DEEERN C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC ZINC000282346182 403145503 /nfs/dbraw/zinc/14/55/03/403145503.db2.gz SAHJRURMZMMBJF-UHFFFAOYSA-N 0 0 300.362 2.358 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1nn(-c2c(F)cccc2F)cc1C ZINC000276158586 403149761 /nfs/dbraw/zinc/14/97/61/403149761.db2.gz CWJRDCZXHXOBOL-LLVKDONJSA-N 0 0 321.327 2.126 10 30 DEEERN C=C(Cl)CNC(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277349041 403208210 /nfs/dbraw/zinc/20/82/10/403208210.db2.gz GFILQWDSHYTGRK-IUCAKERBSA-N 0 0 300.708 2.084 10 30 DEEERN C=CCCCN(C)c1nnc(C(=O)N2CCCC2)n1CC(=C)C ZINC000283714968 403217825 /nfs/dbraw/zinc/21/78/25/403217825.db2.gz WXMRRJLQZNNKSB-UHFFFAOYSA-N 0 0 317.437 2.493 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@@H](C)c2cn[nH]c2)cc1OC ZINC000270530632 403198585 /nfs/dbraw/zinc/19/85/85/403198585.db2.gz VJMBLKNEBWWLGA-NSHDSACASA-N 0 0 301.346 2.474 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000345825405 403499831 /nfs/dbraw/zinc/49/98/31/403499831.db2.gz FEQIOJAKNNBMBH-WFASDCNBSA-N 0 0 320.345 2.201 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000346802670 403602403 /nfs/dbraw/zinc/60/24/03/403602403.db2.gz UIEUIXNWBGNWOI-CQSZACIVSA-N 0 0 316.401 2.473 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)[C@@H](CO)SC ZINC000287286183 403567966 /nfs/dbraw/zinc/56/79/66/403567966.db2.gz CEPZKFRTTUBDME-NUEKZKHPSA-N 0 0 320.458 2.033 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCSCc1ccc(C)cc1 ZINC000346201868 403578961 /nfs/dbraw/zinc/57/89/61/403578961.db2.gz HNGAXIPTUQSIIT-HNNXBMFYSA-N 0 0 308.447 2.464 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCCCCNC(C)=O ZINC000287357484 403581683 /nfs/dbraw/zinc/58/16/83/403581683.db2.gz PQTBPJMINPGAHL-GOSISDBHSA-N 0 0 314.429 2.434 10 30 DEEERN C=CCNC(=O)Cc1noc(Cc2c(C)cccc2Cl)n1 ZINC000346964621 403609672 /nfs/dbraw/zinc/60/96/72/403609672.db2.gz OHRSRROIEDITHX-UHFFFAOYSA-N 0 0 305.765 2.467 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1c(C)nn(C)c1OC ZINC000287562881 403623553 /nfs/dbraw/zinc/62/35/53/403623553.db2.gz WVOBUJZUBDVSQG-OAHLLOKOSA-N 0 0 311.385 2.102 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCC[C@@H]1CCO ZINC000287723270 403654394 /nfs/dbraw/zinc/65/43/94/403654394.db2.gz NWPOHHNWGLRUFA-KURKYZTESA-N 0 0 314.429 2.471 10 30 DEEERN C=CCN1CC[C@@H](N(C)C/C=C\c2ccccc2OC)C1=O ZINC000343627945 403668678 /nfs/dbraw/zinc/66/86/78/403668678.db2.gz WJUBVZMEAYPMSN-DZFYGRHCSA-N 0 0 300.402 2.427 10 30 DEEERN C=CCO[C@H]1CCN(c2nc(Cl)c(C(=O)OC)s2)C1 ZINC000302156789 403709244 /nfs/dbraw/zinc/70/92/44/403709244.db2.gz MZYUPORILSLWTF-QMMMGPOBSA-N 0 0 302.783 2.364 10 30 DEEERN N#Cc1nccnc1N1CCC[C@H](Oc2ccc(Cl)cn2)C1 ZINC000301795446 403680796 /nfs/dbraw/zinc/68/07/96/403680796.db2.gz TWSSKRPKEGGPPD-LBPRGKRZSA-N 0 0 315.764 2.444 10 30 DEEERN CC(=O)N1CCC[C@H]1C(=O)Nc1cc(C#N)c2ccccc2n1 ZINC000288774611 403766645 /nfs/dbraw/zinc/76/66/45/403766645.db2.gz JXNFIGJAZFUXDQ-HNNXBMFYSA-N 0 0 308.341 2.056 10 30 DEEERN N#Cc1nc(NCC[C@H]2C(=O)Nc3ccccc32)ccc1[N+](=O)[O-] ZINC000302744296 403719960 /nfs/dbraw/zinc/71/99/60/403719960.db2.gz SGIXUZDVQPXFTE-LLVKDONJSA-N 0 0 323.312 2.399 10 30 DEEERN C[C@H]1C[C@@H](S(=O)(=O)NC2(c3cccc(C#N)c3)CC2)CCO1 ZINC000333388688 403740441 /nfs/dbraw/zinc/74/04/41/403740441.db2.gz GPEPEXSTUMJUSU-WFASDCNBSA-N 0 0 320.414 2.034 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@H](C)Oc1ccccc1F ZINC000288225403 403741777 /nfs/dbraw/zinc/74/17/77/403741777.db2.gz TXUQQIZJMWPLCA-ZDUSSCGKSA-N 0 0 322.380 2.134 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@@H](C)Oc1ccccc1F ZINC000288225401 403741975 /nfs/dbraw/zinc/74/19/75/403741975.db2.gz TXUQQIZJMWPLCA-CYBMUJFWSA-N 0 0 322.380 2.134 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[C@@H]1O ZINC000288238324 403743379 /nfs/dbraw/zinc/74/33/79/403743379.db2.gz SBZAMPAVAJDWNR-ZACQAIPSSA-N 0 0 300.402 2.081 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000288354960 403746743 /nfs/dbraw/zinc/74/67/43/403746743.db2.gz BFSMXFGHRWDKFK-UHFFFAOYSA-N 0 0 313.382 2.419 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000289003340 403807117 /nfs/dbraw/zinc/80/71/17/403807117.db2.gz INSWFHIFYJCKOI-CYBMUJFWSA-N 0 0 308.381 2.046 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C(=O)OC)c2ccccc21 ZINC000410619639 403829706 /nfs/dbraw/zinc/82/97/06/403829706.db2.gz CNDDQZFIJWGKOI-LZWOXQAQSA-N 0 0 315.369 2.271 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cnn(C)c1Cl ZINC000295188496 403789263 /nfs/dbraw/zinc/78/92/63/403789263.db2.gz CUAPLVKTRFJUIE-CYBMUJFWSA-N 0 0 301.777 2.438 10 30 DEEERN C=CCN(C(=O)C[C@H]1CCOC1)c1nc(C(=O)OCC)cs1 ZINC000351852655 403962342 /nfs/dbraw/zinc/96/23/42/403962342.db2.gz ZOPMPNQSXWMZTD-LLVKDONJSA-N 0 0 324.402 2.265 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[C@H]1CS2 ZINC000411705822 403944947 /nfs/dbraw/zinc/94/49/47/403944947.db2.gz BBSGXNJNZDCWQL-KBPBESRZSA-N 0 0 316.426 2.460 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1c(C)cnn1C ZINC000411706979 403946171 /nfs/dbraw/zinc/94/61/71/403946171.db2.gz FHDJZFPONBVHER-UHFFFAOYSA-N 0 0 314.345 2.465 10 30 DEEERN C=CCn1c(Cc2ccccc2F)nnc1N1CCOC[C@H]1C ZINC000289683696 403993507 /nfs/dbraw/zinc/99/35/07/403993507.db2.gz NJTHGYMQBSIKPW-CYBMUJFWSA-N 0 0 316.380 2.419 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCCCCCC1 ZINC000289736838 403994749 /nfs/dbraw/zinc/99/47/49/403994749.db2.gz QGVOWWJHGAXVFP-AWEZNQCLSA-N 0 0 306.410 2.323 10 30 DEEERN C=CCN(C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000354882348 404078312 /nfs/dbraw/zinc/07/83/12/404078312.db2.gz JOXMTLRUDKSWBE-JKSUJKDBSA-N 0 0 300.402 2.473 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N(c2cccc([C@@H](C)OC)c2)C1=O ZINC000348647616 404087022 /nfs/dbraw/zinc/08/70/22/404087022.db2.gz QMMHQHIXXXJVET-RISCZKNCSA-N 0 0 304.346 2.021 10 30 DEEERN CC[C@@H](SC)C(=O)N1CC[C@H](n2ccc(NC(C)=O)n2)C1 ZINC000328612076 404113666 /nfs/dbraw/zinc/11/36/66/404113666.db2.gz NWFYRIIESXPBFF-NWDGAFQWSA-N 0 0 310.423 2.406 10 30 DEEERN CCc1ncnc(N2CC[C@@H](n3ccc(NC(C)=O)n3)C2)c1F ZINC000328611330 404113824 /nfs/dbraw/zinc/11/38/24/404113824.db2.gz LGYLKUUSMUCFGK-LLVKDONJSA-N 0 0 318.356 2.434 10 30 DEEERN CCc1noc([C@@H](C)N2CC[C@@H](n3ccc(NC(C)=O)n3)C2)n1 ZINC000328624744 404116967 /nfs/dbraw/zinc/11/69/67/404116967.db2.gz KDEWQOUDKHNZHH-ZYHUDNBSSA-N 0 0 318.381 2.444 10 30 DEEERN C=CCn1nnnc1SCc1ccc(F)cc1C(=O)OC ZINC000349001355 404117183 /nfs/dbraw/zinc/11/71/83/404117183.db2.gz GACWROCDKJCHHC-UHFFFAOYSA-N 0 0 308.338 2.077 10 30 DEEERN CC(=O)N1CCC[C@H](C(=O)NC[C@H]2CCCn3cc(C)nc32)C1 ZINC000328781876 404149427 /nfs/dbraw/zinc/14/94/27/404149427.db2.gz JNUUBFGKHYKFFW-CABCVRRESA-N 0 0 318.421 2.284 10 30 DEEERN C=C(Cl)CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000363840153 404224745 /nfs/dbraw/zinc/22/47/45/404224745.db2.gz YPGRPFFONCYVBO-RDBSUJKOSA-N 0 0 320.824 2.483 10 30 DEEERN Cc1nc(C)c(NC(=O)N2CCC[C@H]2Cn2ccnn2)s1 ZINC000329042343 404210736 /nfs/dbraw/zinc/21/07/36/404210736.db2.gz TWTDYQHRTRUZDR-NSHDSACASA-N 0 0 306.395 2.062 10 30 DEEERN CCC[C@@H]1C[C@@H]1NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000329104175 404231008 /nfs/dbraw/zinc/23/10/08/404231008.db2.gz DKUHBEKTNDIKBF-HNLJFRNMSA-N 0 0 310.438 2.341 10 30 DEEERN C=CCOc1ccc(CNS(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000349867495 404234159 /nfs/dbraw/zinc/23/41/59/404234159.db2.gz ATDUAVDVJIOUER-UHFFFAOYSA-N 0 0 320.414 2.365 10 30 DEEERN C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCc2c1cccc2F ZINC000296462520 404260231 /nfs/dbraw/zinc/26/02/31/404260231.db2.gz VSZZXRCRRYTEPK-INIZCTEOSA-N 0 0 303.381 2.067 10 30 DEEERN C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCc2c1cccc2F ZINC000296462522 404261188 /nfs/dbraw/zinc/26/11/88/404261188.db2.gz VSZZXRCRRYTEPK-MRXNPFEDSA-N 0 0 303.381 2.067 10 30 DEEERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCSC1 ZINC000329231837 404273514 /nfs/dbraw/zinc/27/35/14/404273514.db2.gz KWWBQGKCFFAQTA-IJLUTSLNSA-N 0 0 305.465 2.442 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)S(=O)(=O)c1ccccc1OC ZINC000344645674 404281418 /nfs/dbraw/zinc/28/14/18/404281418.db2.gz PQMFJEWLIFCDGJ-ZDUSSCGKSA-N 0 0 323.414 2.058 10 30 DEEERN C=CCOc1ccc(OS(=O)(=O)CC(C)(C)OC)cc1 ZINC000290730338 404287115 /nfs/dbraw/zinc/28/71/15/404287115.db2.gz LDHCAEGZCVQIBS-UHFFFAOYSA-N 0 0 300.376 2.385 10 30 DEEERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCCCC[C@H]1C)CC2 ZINC000329277117 404288241 /nfs/dbraw/zinc/28/82/41/404288241.db2.gz CJHFWNYFIRQYFY-CHWSQXEVSA-N 0 0 305.426 2.334 10 30 DEEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)[C@H]2CCCCO2)no1 ZINC000329477233 404349614 /nfs/dbraw/zinc/34/96/14/404349614.db2.gz PUDUYTWWRADMAT-KGYLQXTDSA-N 0 0 308.382 2.387 10 30 DEEERN C=CCOc1cccnc1C(=O)N[C@H](CO)c1sccc1C ZINC000342130400 404389440 /nfs/dbraw/zinc/38/94/40/404389440.db2.gz OXAVOSHLWSQKFA-GFCCVEGCSA-N 0 0 318.398 2.480 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 ZINC000342142776 404398750 /nfs/dbraw/zinc/39/87/50/404398750.db2.gz KEHUTYUFPNNCHO-NSHDSACASA-N 0 0 301.350 2.212 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000342312976 404501722 /nfs/dbraw/zinc/50/17/22/404501722.db2.gz GNQNZAZESJLHCJ-CYBMUJFWSA-N 0 0 318.421 2.483 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000342218154 404449803 /nfs/dbraw/zinc/44/98/03/404449803.db2.gz XEEMIIORCGWTGM-WMLDXEAASA-N 0 0 303.402 2.495 10 30 DEEERN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC000338859265 404584737 /nfs/dbraw/zinc/58/47/37/404584737.db2.gz JLUSNSWDUDAEHU-ZFWWWQNUSA-N 0 0 319.453 2.473 10 30 DEEERN C(#Cc1ccccc1)CN1CCn2c(nnc2-c2cccnc2)C1 ZINC000365263675 404590435 /nfs/dbraw/zinc/59/04/35/404590435.db2.gz DLJBPEXEGYETTK-UHFFFAOYSA-N 0 0 315.380 2.207 10 30 DEEERN CS[C@H](CO)[C@H](C)Nc1ncc(Br)cc1C#N ZINC000297280841 404532523 /nfs/dbraw/zinc/53/25/23/404532523.db2.gz XJBYOQRHNHGTBW-OIBJUYFYSA-N 0 0 316.224 2.240 10 30 DEEERN NC(=O)c1ccc(NC(=O)N2CCO[C@H](C3CC3)C2)c(F)c1 ZINC000330125607 404558667 /nfs/dbraw/zinc/55/86/67/404558667.db2.gz BQGYCLFRWBYQFE-ZDUSSCGKSA-N 0 0 307.325 2.365 10 30 DEEERN C=C[C@@](C)(CCOC)c1nc(Cc2nc(C3CC3)nn2C)no1 ZINC000351371785 404564786 /nfs/dbraw/zinc/56/47/86/404564786.db2.gz RLYJLADOFTYXNL-INIZCTEOSA-N 0 0 317.393 2.147 10 30 DEEERN CC(=O)N1CC[C@H](NC(=O)c2ccnc(C#N)c2)c2ccccc21 ZINC000356533462 404577278 /nfs/dbraw/zinc/57/72/78/404577278.db2.gz OHHDQNYUPMGTLL-INIZCTEOSA-N 0 0 320.352 2.181 10 30 DEEERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000330193306 404580854 /nfs/dbraw/zinc/58/08/54/404580854.db2.gz AGYGVXVOZFVLQO-FMKPAKJESA-N 0 0 320.437 2.185 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)Cc1ccccc1OC ZINC000297836419 404638474 /nfs/dbraw/zinc/63/84/74/404638474.db2.gz LNDFZLDLQNMLKF-UHFFFAOYSA-N 0 0 304.390 2.078 10 30 DEEERN C=CCNC(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000345277637 404654331 /nfs/dbraw/zinc/65/43/31/404654331.db2.gz MNYJPOLUAIYRDC-VXGBXAGGSA-N 0 0 306.366 2.344 10 30 DEEERN Cc1c([C@@H]2[C@H](C(=O)N[C@H](C)CC3CC3)CC(=O)N2C)cnn1C ZINC000330305606 404622238 /nfs/dbraw/zinc/62/22/38/404622238.db2.gz QTUXPDNYJQTDIO-ZXIHIIQKSA-N 0 0 318.421 2.393 10 30 DEEERN CC(C)[C@@H](C(=O)N1CCC(C)(C#N)CC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000356991374 404723708 /nfs/dbraw/zinc/72/37/08/404723708.db2.gz TVELJOZUEFLPKL-OAGGEKHMSA-N 0 0 321.465 2.272 10 30 DEEERN C=C(C)Cn1c(CC(C)C)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000358837461 404777222 /nfs/dbraw/zinc/77/72/22/404777222.db2.gz WVMHNHVTQURWRW-KBPBESRZSA-N 0 0 319.453 2.143 10 30 DEEERN CC(C)(C#N)CNC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000359653394 404800549 /nfs/dbraw/zinc/80/05/49/404800549.db2.gz OXOKNNQWARUHFW-AWEZNQCLSA-N 0 0 315.373 2.084 10 30 DEEERN C=C(CNC(=O)c1[nH]c(C)c(C(N)=O)c1CC)c1ccccc1 ZINC000360224981 404822612 /nfs/dbraw/zinc/82/26/12/404822612.db2.gz HSPDWOGBOQHIPV-UHFFFAOYSA-N 0 0 311.385 2.428 10 30 DEEERN C=C(C)CS(=O)(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000366619221 404824533 /nfs/dbraw/zinc/82/45/33/404824533.db2.gz IHJPJEGQIKCHCT-HUUCEWRRSA-N 0 0 312.410 2.066 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)NCCc1cn[nH]c1 ZINC000360297383 404824801 /nfs/dbraw/zinc/82/48/01/404824801.db2.gz WGPJOTFURYSAHX-UHFFFAOYSA-N 0 0 309.373 2.222 10 30 DEEERN C=CCOc1ccccc1C(=O)NC[C@H](CO)c1cccnc1 ZINC000360463148 404828201 /nfs/dbraw/zinc/82/82/01/404828201.db2.gz TXQLLGBSASCUEO-OAHLLOKOSA-N 0 0 312.369 2.152 10 30 DEEERN CC#CCCCC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000366956147 404880598 /nfs/dbraw/zinc/88/05/98/404880598.db2.gz SSYYDSUDMGXKPQ-NVXWUHKLSA-N 0 0 312.413 2.486 10 30 DEEERN CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2ccc(C#N)n2C)[nH]1 ZINC000451169180 404886365 /nfs/dbraw/zinc/88/63/65/404886365.db2.gz ZJFBNCDRZMNDNR-ZJUUUORDSA-N 0 0 300.366 2.019 10 30 DEEERN C[C@H]1CCc2nc(NC(=O)C(=O)NCCCCC#N)sc2C1 ZINC000434589764 404913267 /nfs/dbraw/zinc/91/32/67/404913267.db2.gz YAZZRCWFFKQCLW-JTQLQIEISA-N 0 0 320.418 2.016 10 30 DEEERN C=CCOCCNC(=O)N[C@H]1CCOc2c(OC)cccc21 ZINC000361110088 404923578 /nfs/dbraw/zinc/92/35/78/404923578.db2.gz VDAQGHMCNLHZEF-ZDUSSCGKSA-N 0 0 306.362 2.021 10 30 DEEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCO[C@H](CF)C1 ZINC000424123619 405014124 /nfs/dbraw/zinc/01/41/24/405014124.db2.gz KQMLWFRWWGUCSL-VXGBXAGGSA-N 0 0 312.414 2.207 10 30 DEEERN CCCNC(=O)c1cccc(C(=O)Nc2cc(C#N)ccn2)c1 ZINC000435996914 405034918 /nfs/dbraw/zinc/03/49/18/405034918.db2.gz RLXGKKZAQUUWOF-UHFFFAOYSA-N 0 0 308.341 2.345 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)s1 ZINC000435428995 404978764 /nfs/dbraw/zinc/97/87/64/404978764.db2.gz UJOJPVCFZHYUDF-MRVPVSSYSA-N 0 0 306.359 2.476 10 30 DEEERN CC(=O)N[C@@H](CC(=O)Nc1cc(C#N)ccn1)c1cccs1 ZINC000436008201 405036000 /nfs/dbraw/zinc/03/60/00/405036000.db2.gz DIVXMOCRURPEJU-LBPRGKRZSA-N 0 0 314.370 2.221 10 30 DEEERN N#Cc1ccc(N2CCC(NC(=O)c3cccc(O)c3)CC2)nc1 ZINC000378551543 404998030 /nfs/dbraw/zinc/99/80/30/404998030.db2.gz OMFVLICYZGYEBQ-UHFFFAOYSA-N 0 0 322.368 2.058 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000361485208 405095085 /nfs/dbraw/zinc/09/50/85/405095085.db2.gz MLGBTJKTDBXJKI-XYJFISCASA-N 0 0 324.465 2.069 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000354115398 405051307 /nfs/dbraw/zinc/05/13/07/405051307.db2.gz RFJOPRQHUDVSAM-SUMWQHHRSA-N 0 0 305.374 2.171 10 30 DEEERN N#Cc1ccnc(C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000407995323 405087114 /nfs/dbraw/zinc/08/71/14/405087114.db2.gz IKHJIEDWVLKZQG-IBGZPJMESA-N 0 0 319.364 2.267 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)o1 ZINC000408114701 405115183 /nfs/dbraw/zinc/11/51/83/405115183.db2.gz YYYJSANEGHROTD-UHFFFAOYSA-N 0 0 306.387 2.398 10 30 DEEERN C#CCCCS(=O)(=O)N1CCC(Oc2ccccc2)CC1 ZINC000367744929 405141448 /nfs/dbraw/zinc/14/14/48/405141448.db2.gz FHNSKROTTOECFZ-UHFFFAOYSA-N 0 0 307.415 2.273 10 30 DEEERN C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)c2cc(C#N)cn2C)C1 ZINC000408221757 405143350 /nfs/dbraw/zinc/14/33/50/405143350.db2.gz KZORTZAPDBPEOS-YVEFUNNKSA-N 0 0 303.406 2.204 10 30 DEEERN C=C(Cl)CN1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000367863014 405178034 /nfs/dbraw/zinc/17/80/34/405178034.db2.gz LYYQLYLHLQYPDV-OLZOCXBDSA-N 0 0 306.793 2.248 10 30 DEEERN C=CCC1(C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)CCOCC1 ZINC000424815341 405186941 /nfs/dbraw/zinc/18/69/41/405186941.db2.gz WGBFYVMYDRMFSH-SFHVURJKSA-N 0 0 323.433 2.156 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@@](C)(C(=O)OC)C2)CCOCC1 ZINC000424882116 405204452 /nfs/dbraw/zinc/20/44/52/405204452.db2.gz NJGUZIGXARJWEH-MRXNPFEDSA-N 0 0 309.406 2.161 10 30 DEEERN C=CCn1cc(CNC(=O)c2ccc(F)c(CSC)c2)nn1 ZINC000424909490 405211034 /nfs/dbraw/zinc/21/10/34/405211034.db2.gz UJCOAMLDHLFTOY-UHFFFAOYSA-N 0 0 320.393 2.396 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@H](NC(C)=O)c1cccs1 ZINC000424918066 405212637 /nfs/dbraw/zinc/21/26/37/405212637.db2.gz UQCHXXZEYYLDLV-IHRRRGAJSA-N 0 0 322.430 2.023 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1nccn1CC(C)C ZINC000437709447 405215833 /nfs/dbraw/zinc/21/58/33/405215833.db2.gz POWYICYRNJIDIP-GDBMZVCRSA-N 0 0 320.437 2.320 10 30 DEEERN C=CCCn1cc(C(=O)N2CCCC[C@@H](CCOC)C2)nn1 ZINC000424771896 405172848 /nfs/dbraw/zinc/17/28/48/405172848.db2.gz DITUDOYHGHWMQD-AWEZNQCLSA-N 0 0 306.410 2.133 10 30 DEEERN C=CCC[C@H]1NC(=O)N(Cc2ccn(C3CCCC3)n2)C1=O ZINC000419933131 405273148 /nfs/dbraw/zinc/27/31/48/405273148.db2.gz FGBMWHBWGUCFOK-CQSZACIVSA-N 0 0 302.378 2.385 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C)c1ccncc1OC ZINC000437868656 405222812 /nfs/dbraw/zinc/22/28/12/405222812.db2.gz LFVLCFIXHHRQMS-IOASZLSFSA-N 0 0 319.405 2.432 10 30 DEEERN C=C(C)CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000452718492 405232936 /nfs/dbraw/zinc/23/29/36/405232936.db2.gz PTERZMMGAPVYDQ-NVXWUHKLSA-N 0 0 316.401 2.297 10 30 DEEERN C=CCC1(C(=O)Nc2n[nH]c(-c3ccco3)n2)CCOCC1 ZINC000425140464 405250128 /nfs/dbraw/zinc/25/01/28/405250128.db2.gz DXZGFZBCTHJBQB-UHFFFAOYSA-N 0 0 302.334 2.376 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1F ZINC000425177461 405254488 /nfs/dbraw/zinc/25/44/88/405254488.db2.gz GNGLZZNBTPYVAE-CABZTGNLSA-N 0 0 319.785 2.349 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C)Oc1ccc(F)cc1 ZINC000425450141 405292685 /nfs/dbraw/zinc/29/26/85/405292685.db2.gz UQUJTJGPGWOABD-XEZPLFJOSA-N 0 0 322.380 2.483 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cn(CCCC)nc1C ZINC000425490153 405298612 /nfs/dbraw/zinc/29/86/12/405298612.db2.gz MQMUYSKRZQIQTE-HOCLYGCPSA-N 0 0 320.437 2.382 10 30 DEEERN C=CCC1(C(=O)Nc2ccc(C(=O)OC)cn2)CCOCC1 ZINC000425576668 405304958 /nfs/dbraw/zinc/30/49/58/405304958.db2.gz FCNJSFXCFMOZQP-UHFFFAOYSA-N 0 0 304.346 2.180 10 30 DEEERN C=CC(C)(C)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000448604110 405425922 /nfs/dbraw/zinc/42/59/22/405425922.db2.gz LKIGGPPDFJKWHL-UHFFFAOYSA-N 0 0 302.418 2.347 10 30 DEEERN COCCN(CCc1ccccc1)C(=O)c1ccc(C#N)n1C ZINC000448668921 405434065 /nfs/dbraw/zinc/43/40/65/405434065.db2.gz CNTBPOHFOGVUIS-UHFFFAOYSA-N 0 0 311.385 2.228 10 30 DEEERN Cc1nc(NC(=O)Cc2cn(C)nc2C)sc1SCC#N ZINC000448851052 405455861 /nfs/dbraw/zinc/45/58/61/405455861.db2.gz KAWFFMZZUVRQPP-UHFFFAOYSA-N 0 0 321.431 2.290 10 30 DEEERN CN(C(=O)c1ccc(C#N)n1C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000456058769 405485447 /nfs/dbraw/zinc/48/54/47/405485447.db2.gz HCWRWYGREHMGRG-HNNXBMFYSA-N 0 0 317.776 2.356 10 30 DEEERN C=CCCCNC(=O)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000458726155 405560620 /nfs/dbraw/zinc/56/06/20/405560620.db2.gz NGZXLOOONZZYIF-RDJZCZTQSA-N 0 0 306.381 2.462 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000556680488 405503971 /nfs/dbraw/zinc/50/39/71/405503971.db2.gz XFOKCIPRDFPHHF-NEPJUHHUSA-N 0 0 318.402 2.007 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1ccc2cc(OC)ccc2n1 ZINC000456759381 405553234 /nfs/dbraw/zinc/55/32/34/405553234.db2.gz RMYGNCCVBJVSDF-ZDUSSCGKSA-N 0 0 300.358 2.300 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000633410746 405628117 /nfs/dbraw/zinc/62/81/17/405628117.db2.gz BPBOPCRAYIJAFE-QWHCGFSZSA-N 0 0 318.483 2.442 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000633410516 405628704 /nfs/dbraw/zinc/62/87/04/405628704.db2.gz PNIUZLRHPOWTAQ-CQSZACIVSA-N 0 0 324.469 2.424 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000580064532 405577917 /nfs/dbraw/zinc/57/79/17/405577917.db2.gz JCQRNRWWHRWPRE-QWRGUYRKSA-N 0 0 311.284 2.329 10 30 DEEERN C=CCCOCCN1C(=O)CN(Cc2ccc(F)c(F)c2)C1=O ZINC000431510074 405636093 /nfs/dbraw/zinc/63/60/93/405636093.db2.gz FWFJCEOBLJVBOA-UHFFFAOYSA-N 0 0 324.327 2.322 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@@H](C)[C@@H]2CC3CCC2CC3)C1=O ZINC000582364072 405714168 /nfs/dbraw/zinc/71/41/68/405714168.db2.gz UMWXTJLVZNQACK-IIZVFWCOSA-N 0 0 306.406 2.324 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(C)n(C2CCOCC2)n1 ZINC000529459877 405758790 /nfs/dbraw/zinc/75/87/90/405758790.db2.gz ZIPKICKSSUFZMX-ZBFHGGJFSA-N 0 0 319.405 2.006 10 30 DEEERN Cc1cc(C#N)nc(N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000583616379 405775267 /nfs/dbraw/zinc/77/52/67/405775267.db2.gz LVFSAQFLEKMKTR-SWLSCSKDSA-N 0 0 316.311 2.247 10 30 DEEERN C=CCN(CCC#N)C(=O)Nc1cccnc1OCCOC ZINC000432855442 405824329 /nfs/dbraw/zinc/82/43/29/405824329.db2.gz VRZZEMXQZBQXPP-UHFFFAOYSA-N 0 0 304.350 2.040 10 30 DEEERN C=CC(C)(C)CCNC(=O)CNc1ccc(S(C)(=O)=O)cc1 ZINC000636250416 405838307 /nfs/dbraw/zinc/83/83/07/405838307.db2.gz ZDXVGZPKNRIQPG-UHFFFAOYSA-N 0 0 324.446 2.221 10 30 DEEERN COC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1cccc(C#N)c1 ZINC000530680241 405845437 /nfs/dbraw/zinc/84/54/37/405845437.db2.gz PEDRHXXBDXQKGV-QGZVFWFLSA-N 0 0 322.364 2.001 10 30 DEEERN C=CCC[C@@H](O)CN[C@@H](C)c1ncc(Br)cn1 ZINC000433007157 405849244 /nfs/dbraw/zinc/84/92/44/405849244.db2.gz JXFGJYDUDOZEEY-GXSJLCMTSA-N 0 0 300.200 2.217 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CC[C@H](COc2ccccc2)C1 ZINC000450507828 405935031 /nfs/dbraw/zinc/93/50/31/405935031.db2.gz VPGGVNYQZOABCB-AWEZNQCLSA-N 0 0 309.369 2.438 10 30 DEEERN C=C(C)CN(Cc1cn(CC2CC2)nn1)Cc1ccc(CO)o1 ZINC000450982693 406009980 /nfs/dbraw/zinc/00/99/80/406009980.db2.gz MSCHZWDDPPDSPF-UHFFFAOYSA-N 0 0 316.405 2.352 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1ccc(C2CCOCC2)cc1 ZINC000632297228 406082127 /nfs/dbraw/zinc/08/21/27/406082127.db2.gz YBVPISQLHASTRP-AWEZNQCLSA-N 0 0 303.402 2.495 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1c(F)cc(OC)cc1Cl ZINC000632296324 406082132 /nfs/dbraw/zinc/08/21/32/406082132.db2.gz HITRZUJXLASUIH-SECBINFHSA-N 0 0 301.745 2.402 10 30 DEEERN C=CCCCCCNC(=O)CN1C(=O)c2ccccc2C1=O ZINC000566924183 406091981 /nfs/dbraw/zinc/09/19/81/406091981.db2.gz RXHGWIPTGJVPQZ-UHFFFAOYSA-N 0 0 300.358 2.145 10 30 DEEERN C=CCn1c(COCCOC)nnc1N1CCCC2(CC2)CC1 ZINC000634338516 406104736 /nfs/dbraw/zinc/10/47/36/406104736.db2.gz BYXYNIKAKDWJBO-UHFFFAOYSA-N 0 0 320.437 2.398 10 30 DEEERN C=CCN(CCOC)C(=O)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000564817239 406066253 /nfs/dbraw/zinc/06/62/53/406066253.db2.gz NVXVECSPJZAWEK-UHFFFAOYSA-N 0 0 320.364 2.205 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(c2c[nH]nc2C)CC1 ZINC000564884481 406067278 /nfs/dbraw/zinc/06/72/78/406067278.db2.gz HUQREVGRFGXVAC-HOCLYGCPSA-N 0 0 318.421 2.198 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCC(OCCC(C)C)CC1 ZINC000460028131 406074515 /nfs/dbraw/zinc/07/45/15/406074515.db2.gz QFBPQVFWMAOHIG-UHFFFAOYSA-N 0 0 324.465 2.465 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000632390509 406117615 /nfs/dbraw/zinc/11/76/15/406117615.db2.gz CHKZNQOBDZOHGH-AWEZNQCLSA-N 0 0 322.449 2.123 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C(=O)NCC)sc1C ZINC000634420030 406126206 /nfs/dbraw/zinc/12/62/06/406126206.db2.gz WPZZIOBTKASJSX-PWSUYJOCSA-N 0 0 308.403 2.336 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCC1(COC)CCCC1 ZINC000636949302 406131130 /nfs/dbraw/zinc/13/11/30/406131130.db2.gz OIRUAESEQUABEK-UHFFFAOYSA-N 0 0 310.438 2.028 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(CC)C[C@@H]1CCCO1 ZINC000632447520 406141878 /nfs/dbraw/zinc/14/18/78/406141878.db2.gz ORHZYKYUAYGWET-AWEZNQCLSA-N 0 0 310.438 2.123 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000632543314 406177151 /nfs/dbraw/zinc/17/71/51/406177151.db2.gz XTRRAHTUKTZFGT-LSDHHAIUSA-N 0 0 324.465 2.105 10 30 DEEERN C=CC[C@H](CC)NC(=O)NC[C@@H]1c2ccccc2C(=O)N1C ZINC000637117966 406181583 /nfs/dbraw/zinc/18/15/83/406181583.db2.gz GNGSWTJOEVSFSG-SWLSCSKDSA-N 0 0 301.390 2.467 10 30 DEEERN C=CCCCCCNC(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000568105040 406193762 /nfs/dbraw/zinc/19/37/62/406193762.db2.gz MMSPOGMZYMTIPT-IYBDPMFKSA-N 0 0 311.470 2.483 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCC2(C1)CCOCC2 ZINC000632604697 406197149 /nfs/dbraw/zinc/19/71/49/406197149.db2.gz SJWRXYVOTDXUIP-UHFFFAOYSA-N 0 0 322.449 2.124 10 30 DEEERN C[C@H](Cc1ccncc1)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000487082875 406204470 /nfs/dbraw/zinc/20/44/70/406204470.db2.gz FSMJEWVUTHGWTJ-LLVKDONJSA-N 0 0 319.361 2.002 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[C@H](COC)CC1 ZINC000632640663 406209323 /nfs/dbraw/zinc/20/93/23/406209323.db2.gz XUVQESAOEONCPL-HNNXBMFYSA-N 0 0 324.465 2.370 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@@H](OC)C[C@]1(C)CO ZINC000637264995 406234575 /nfs/dbraw/zinc/23/45/75/406234575.db2.gz OWWGQJAFINHOQF-WBTNSWJXSA-N 0 0 310.438 2.303 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000637273989 406237520 /nfs/dbraw/zinc/23/75/20/406237520.db2.gz WYDOMUOLSUCLOB-OLZOCXBDSA-N 0 0 316.467 2.244 10 30 DEEERN C=CCCCCNC(=O)C(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC000637314354 406253519 /nfs/dbraw/zinc/25/35/19/406253519.db2.gz LRPJNGLQHNPZJY-AWEZNQCLSA-N 0 0 310.344 2.425 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000637350815 406270119 /nfs/dbraw/zinc/27/01/19/406270119.db2.gz LKKPVLQAJMUPCP-MZORAGNBSA-N 0 0 320.820 2.462 10 30 DEEERN C=C1CC(C)(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2C)C1 ZINC000632818973 406276223 /nfs/dbraw/zinc/27/62/23/406276223.db2.gz WNDDTEJLJSRYQT-UHFFFAOYSA-N 0 0 313.357 2.346 10 30 DEEERN C=CCCCCCNC(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000569939299 406324243 /nfs/dbraw/zinc/32/42/43/406324243.db2.gz OCVRYNPJRIXNBE-UHFFFAOYSA-N 0 0 321.343 2.149 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000488882741 406358125 /nfs/dbraw/zinc/35/81/25/406358125.db2.gz VGVLHHYOKICYLE-CYBMUJFWSA-N 0 0 300.362 2.409 10 30 DEEERN CC(C)(C#N)NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000541782415 406300596 /nfs/dbraw/zinc/30/05/96/406300596.db2.gz MPHRDMGBTGXVFH-UHFFFAOYSA-N 0 0 322.308 2.208 10 30 DEEERN C=CC[C@@H]1N(C(=O)NC[C@@H]2COCCN2C)CCCC1(C)C ZINC000637442868 406309444 /nfs/dbraw/zinc/30/94/44/406309444.db2.gz URASQVOTRHDDDD-CABCVRRESA-N 0 0 309.454 2.093 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCC1CCS(=O)(=O)CC1 ZINC000633139329 406392822 /nfs/dbraw/zinc/39/28/22/406392822.db2.gz GTSCTPDZCVISEU-UHFFFAOYSA-N 0 0 316.467 2.103 10 30 DEEERN C=CC[C@@H]1N(C(=O)NCc2nc(N(C)C)n[nH]2)CCCC1(C)C ZINC000637788043 406422135 /nfs/dbraw/zinc/42/21/35/406422135.db2.gz TZBNJNDBOGMBLH-LBPRGKRZSA-N 0 0 320.441 2.147 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cnc(CC2CC2)nc1 ZINC000570796252 406439490 /nfs/dbraw/zinc/43/94/90/406439490.db2.gz VNLVPBSWRAHMPI-JSGCOSHPSA-N 0 0 302.378 2.142 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cc(F)cc(OC(F)F)c1 ZINC000635147587 406440422 /nfs/dbraw/zinc/44/04/22/406440422.db2.gz ZIAQLHFOIGOYOG-UHFFFAOYSA-N 0 0 316.279 2.448 10 30 DEEERN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CCC[C@H]21 ZINC000571770698 406563752 /nfs/dbraw/zinc/56/37/52/406563752.db2.gz RETFODDLAMOUGU-ZIAGYGMSSA-N 0 0 315.421 2.079 10 30 DEEERN N#Cc1cccc(CC(=O)N2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000571345602 406509727 /nfs/dbraw/zinc/50/97/27/406509727.db2.gz PTVOUESQTYZHML-QGZVFWFLSA-N 0 0 307.353 2.176 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@@H]1c1noc(C)n1 ZINC000573059462 406768374 /nfs/dbraw/zinc/76/83/74/406768374.db2.gz POCUWXUWKQLFAD-MCIONIFRSA-N 0 0 305.378 2.413 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c(C)onc1-c1ccncc1 ZINC000573953798 406778992 /nfs/dbraw/zinc/77/89/92/406778992.db2.gz ICFOPLQLNALDEC-KBPBESRZSA-N 0 0 313.357 2.366 10 30 DEEERN CCOc1cc(I)c(C#N)c([N+](=O)[O-])c1 ZINC000575670516 406817335 /nfs/dbraw/zinc/81/73/35/406817335.db2.gz KSKNUAPUNJJIDU-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN CCOC(=O)Cc1cc(Br)c(C#N)c([N+](=O)[O-])c1 ZINC000575383582 406808049 /nfs/dbraw/zinc/80/80/49/406808049.db2.gz QDACPFSTNPESHQ-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN COC(=O)Cc1cc(C#N)cc([N+](=O)[O-])c1OC(F)(F)F ZINC000575395965 406810010 /nfs/dbraw/zinc/81/00/10/406810010.db2.gz YNZMTARPBPASAU-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN N#CCc1c(F)ccc([N+](=O)[O-])c1I ZINC000575707223 406821518 /nfs/dbraw/zinc/82/15/18/406821518.db2.gz QFJVFLQNWNZARZ-UHFFFAOYSA-N 0 0 306.034 2.405 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1c2ccccc2O[C@H]1C ZINC000576152270 406829182 /nfs/dbraw/zinc/82/91/82/406829182.db2.gz WEUHAQFLUPACCP-LMRQPLJMSA-N 0 0 302.374 2.399 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc2c(cc1C)OCO2 ZINC000577276567 406835911 /nfs/dbraw/zinc/83/59/11/406835911.db2.gz LDBJKEGSGUNHPG-AAEUAGOBSA-N 0 0 304.346 2.436 10 30 DEEERN C=CCCCN(C)C(=O)CNC(=O)c1ccccc1OCC ZINC000129257116 196032604 /nfs/dbraw/zinc/03/26/04/196032604.db2.gz MRUSDOGDCJEJPY-UHFFFAOYSA-N 0 0 304.390 2.240 10 30 DEEERN CC#CC[C@H](NN)c1cccc(I)c1 ZINC000129328832 196039731 /nfs/dbraw/zinc/03/97/31/196039731.db2.gz NWFRLGIOKZYEEH-NSHDSACASA-N 0 0 300.143 2.209 10 30 DEEERN CN(c1ccccc1C#N)S(=O)(=O)c1ccc(N)c(F)c1 ZINC000131107621 196140425 /nfs/dbraw/zinc/14/04/25/196140425.db2.gz PTHYZPYZYLKHDN-UHFFFAOYSA-N 0 0 305.334 2.105 10 30 DEEERN CCc1cc(C#N)c(NC(=O)[C@H]2CSCN2C(C)=O)s1 ZINC000132797154 196285440 /nfs/dbraw/zinc/28/54/40/196285440.db2.gz VHUAMGMBTBQSSB-LLVKDONJSA-N 0 0 309.416 2.042 10 30 DEEERN Cc1cc(C(=O)N(C)Cc2cscn2)ccc1C#CCO ZINC000137740386 196579934 /nfs/dbraw/zinc/57/99/34/196579934.db2.gz PLYZAHXQOOZIIN-UHFFFAOYSA-N 0 0 300.383 2.068 10 30 DEEERN CS(=O)(=O)c1cccc(Nc2ccc(C#N)cc2F)c1N ZINC000137916965 196581135 /nfs/dbraw/zinc/58/11/35/196581135.db2.gz UJVDBIYRTIUFBB-UHFFFAOYSA-N 0 0 305.334 2.427 10 30 DEEERN C[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000328717553 225789231 /nfs/dbraw/zinc/78/92/31/225789231.db2.gz PJMZTBZHUMEXEQ-RFGFWPKPSA-N 0 0 321.400 2.086 10 30 DEEERN C[C@H](NC(=O)C[C@@H]1C[C@H]1c1ccccc1)C(=O)N1CCOCC1 ZINC000328881054 225809867 /nfs/dbraw/zinc/80/98/67/225809867.db2.gz MBZMLRPLPVDEIW-BPUTZDHNSA-N 0 0 316.401 2.384 10 30 DEEERN O=C(C[C@H]1CCCCNC1=O)NCCn1cnnc1C1CC1 ZINC000329533725 225892814 /nfs/dbraw/zinc/89/28/14/225892814.db2.gz KNOQEIBAPQLYHW-GFCCVEGCSA-N 0 0 305.382 2.259 10 30 DEEERN Cc1nc([C@H](C)NC(=O)N2CCC[C@H](n3cncn3)C2)cs1 ZINC000329815595 225932998 /nfs/dbraw/zinc/93/29/98/225932998.db2.gz VIBDFBZLASFGRO-JQWIXIFHSA-N 0 0 320.422 2.355 10 30 DEEERN N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000333262590 226104277 /nfs/dbraw/zinc/10/42/77/226104277.db2.gz UUCFYCKYBILLDV-AHDPXTMNSA-N 0 0 303.406 2.326 10 30 DEEERN Cc1cccc2c(CC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c[nH]c21 ZINC000365480212 226949630 /nfs/dbraw/zinc/94/96/30/226949630.db2.gz QGXHODHVQQTKAR-INIZCTEOSA-N 0 0 322.412 2.218 10 30 DEEERN Cc1ccc([C@H](C)NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000369228270 227027421 /nfs/dbraw/zinc/02/74/21/227027421.db2.gz AKHLXEGTMDDJOB-WMLDXEAASA-N 0 0 312.417 2.438 10 30 DEEERN CCc1sc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1C ZINC000370974217 227061182 /nfs/dbraw/zinc/06/11/82/227061182.db2.gz SIFNHZMBCSPUDM-CYBMUJFWSA-N 0 0 303.431 2.431 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cccc(C(F)F)c2)CCN1C1CC1 ZINC000370989756 227062188 /nfs/dbraw/zinc/06/21/88/227062188.db2.gz FHRGIZNLCDOCQN-AWEZNQCLSA-N 0 0 305.328 2.437 10 30 DEEERN Cn1ccc2ccc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc21 ZINC000373112732 227103596 /nfs/dbraw/zinc/10/35/96/227103596.db2.gz NCLSHDISFBOWPH-MRXNPFEDSA-N 0 0 323.400 2.382 10 30 DEEERN C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC000291096036 222134278 /nfs/dbraw/zinc/13/42/78/222134278.db2.gz SVKBLPMGNYCDFV-AWEZNQCLSA-N 0 0 313.409 2.165 10 30 DEEERN N#C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C1CC1 ZINC000374663530 227138248 /nfs/dbraw/zinc/13/82/48/227138248.db2.gz NCDNMMFZYPVHEX-AWEZNQCLSA-N 0 0 320.780 2.420 10 30 DEEERN N#CCC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000375366086 227148204 /nfs/dbraw/zinc/14/82/04/227148204.db2.gz JCIPCHQQHHWSFN-LBPRGKRZSA-N 0 0 314.320 2.495 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)C1CCN(CC(F)(F)F)CC1 ZINC000408151284 227227969 /nfs/dbraw/zinc/22/79/69/227227969.db2.gz PKFZZCNZOJYAEC-NWDGAFQWSA-N 0 0 303.328 2.069 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000408336502 227231834 /nfs/dbraw/zinc/23/18/34/227231834.db2.gz AVVHVWLEVOAUIS-KCJUWKMLSA-N 0 0 302.758 2.450 10 30 DEEERN N#Cc1c(Cl)nsc1NC[C@@H](CO)Cc1ccccn1 ZINC000301595381 229765617 /nfs/dbraw/zinc/76/56/17/229765617.db2.gz YXAANRALZYJZNS-VIFPVBQESA-N 0 0 308.794 2.326 10 30 DEEERN Cc1ccc(NCCNC(=O)c2c(F)cccc2F)nc1C#N ZINC000302633104 230326403 /nfs/dbraw/zinc/32/64/03/230326403.db2.gz JOCDNOCNZKGIBR-UHFFFAOYSA-N 0 0 316.311 2.382 10 30 DEEERN Cc1ccc(N(C)CC(C)(C)CN2CCOCC2)nc1C#N ZINC000302675861 230344403 /nfs/dbraw/zinc/34/44/03/230344403.db2.gz UJUKFCNRZQWWSL-UHFFFAOYSA-N 0 0 302.422 2.056 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCCNc2ccc(C)cn2)C1=O ZINC000630972100 422450550 /nfs/dbraw/zinc/45/05/50/422450550.db2.gz WCPVFHQOWPKGJN-CYBMUJFWSA-N 0 0 302.378 2.079 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000612508789 422484184 /nfs/dbraw/zinc/48/41/84/422484184.db2.gz VHGJIDDKBCTENC-AWEZNQCLSA-N 0 0 306.410 2.339 10 30 DEEERN C=CCCO[C@H](C)C(=O)Nc1n[nH]c(C)c1Br ZINC000616010213 422501789 /nfs/dbraw/zinc/50/17/89/422501789.db2.gz IBOLQKGHNNYJIG-MRVPVSSYSA-N 0 0 302.172 2.400 10 30 DEEERN CCCC[C@@H](COC)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000173152914 266037724 /nfs/dbraw/zinc/03/77/24/266037724.db2.gz PNBBZWJVDXPALA-HNNXBMFYSA-N 0 0 319.405 2.441 10 30 DEEERN CC(C)n1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)n1 ZINC000361322064 424844108 /nfs/dbraw/zinc/84/41/08/424844108.db2.gz SNTZQWSLJMODJK-MRXNPFEDSA-N 0 0 320.393 2.664 10 30 DEEERN C#CCCNC(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 ZINC000367870697 424870349 /nfs/dbraw/zinc/87/03/49/424870349.db2.gz NUNYOLAKLYBBGS-UHFFFAOYSA-N 0 0 302.765 2.979 10 30 DEEERN O=C(NC[C@@H]1C[C@H](F)CN1Cc1cccs1)Nc1ccon1 ZINC000328630917 424901768 /nfs/dbraw/zinc/90/17/68/424901768.db2.gz JWPJBJXRBBWVFB-QWRGUYRKSA-N 0 0 324.381 2.675 10 30 DEEERN C=CCNc1ncc(C(=O)Nc2ccc3nc(C)cn3c2)s1 ZINC000432928359 425018905 /nfs/dbraw/zinc/01/89/05/425018905.db2.gz MIYIGHNDONDRFS-UHFFFAOYSA-N 0 0 313.386 2.949 10 30 DEEERN C=CCCC(C)(C)NC(=O)Nc1ccn(C(C)(C)C(=O)OC)n1 ZINC000597077829 425031600 /nfs/dbraw/zinc/03/16/00/425031600.db2.gz CQUBOHQBBNPWHV-UHFFFAOYSA-N 0 0 322.409 2.658 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)Nc1cc(C)n([C@H](C)C2CC2)n1 ZINC000455130515 425094421 /nfs/dbraw/zinc/09/44/21/425094421.db2.gz CAUADDQUAMWPNX-OCCSQVGLSA-N 0 0 306.410 2.611 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCCOC1CCCC1 ZINC000194310054 267782665 /nfs/dbraw/zinc/78/26/65/267782665.db2.gz YVZKHPBRPJDZLJ-CYBMUJFWSA-N 0 0 302.374 2.401 10 30 DEEERN N#Cc1cccc(CC(=O)NCCc2nc3cc(F)ccc3[nH]2)c1 ZINC000530673701 268275703 /nfs/dbraw/zinc/27/57/03/268275703.db2.gz QWQHFJCXQONVJB-UHFFFAOYSA-N 0 0 322.343 2.475 10 30 DEEERN N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000194822901 268558504 /nfs/dbraw/zinc/55/85/04/268558504.db2.gz XDGLSMHEOLCTSN-CYBMUJFWSA-N 0 0 321.336 2.425 10 30 DEEERN CCNC(=O)c1cccc(CNC(=O)Cc2cccc(C#N)c2)c1 ZINC000531151003 269658880 /nfs/dbraw/zinc/65/88/80/269658880.db2.gz HSEPJTAKLVHQMQ-UHFFFAOYSA-N 0 0 321.380 2.167 10 30 DEEERN C=C(C)Cn1c(CC(C)C)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000358837463 277784690 /nfs/dbraw/zinc/78/46/90/277784690.db2.gz WVMHNHVTQURWRW-UONOGXRCSA-N 0 0 319.453 2.143 10 30 DEEERN C=CCC[C@H](c1ccccc1)N1C(=O)[C@H]2[C@H](O)CCCN2C1=O ZINC000277340440 277839279 /nfs/dbraw/zinc/83/92/79/277839279.db2.gz ZJGPQYXJMOMQKO-BZUAXINKSA-N 0 0 314.385 2.481 10 30 DEEERN COc1ccnc(N2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000172396733 278065944 /nfs/dbraw/zinc/06/59/44/278065944.db2.gz VNJFKOCVUWCFLB-AWEZNQCLSA-N 0 0 323.400 2.240 10 30 DEEERN CCOC[C@@H]1Cn2nccc2CN(C(=O)c2cccc(C#N)c2)C1 ZINC000096067240 279738456 /nfs/dbraw/zinc/73/84/56/279738456.db2.gz JENOSPKELOBUJB-HNNXBMFYSA-N 0 0 324.384 2.063 10 30 DEEERN CC(C)[C@H]1CCO[C@H]1C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000329457871 280390772 /nfs/dbraw/zinc/39/07/72/280390772.db2.gz QVSASPMZXIPPCZ-XSUJLISDSA-N 0 0 323.393 2.427 10 30 DEEERN C[C@H](CNC(=O)c1cc(C#N)cn1C)Oc1ccc(F)cc1 ZINC000081549100 281604676 /nfs/dbraw/zinc/60/46/76/281604676.db2.gz GVBIRHGEGQACTQ-LLVKDONJSA-N 0 0 301.321 2.233 10 30 DEEERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NC1(C#N)CCSCC1 ZINC000162537830 289083605 /nfs/dbraw/zinc/08/36/05/289083605.db2.gz BKBNEWRJKDBBMN-RISCZKNCSA-N 0 0 302.399 2.457 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCO1 ZINC000106330142 294825209 /nfs/dbraw/zinc/82/52/09/294825209.db2.gz OFLFYKOTFRMSIM-HBNTYKKESA-N 0 0 305.300 2.041 10 30 DEEERN N#Cc1cc(F)c(C(=O)N2CC[C@H]3OCCC[C@@H]3C2)c(F)c1 ZINC000163229312 294880416 /nfs/dbraw/zinc/88/04/16/294880416.db2.gz NQIQMHAGOKBPJD-BXUZGUMPSA-N 0 0 306.312 2.478 10 30 DEEERN O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)N1CCc2cncnc2C1 ZINC000330011971 295382083 /nfs/dbraw/zinc/38/20/83/295382083.db2.gz JUFQHDCTXRMVIN-NVXWUHKLSA-N 0 0 324.384 2.279 10 30 DEEERN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCc2ccsc2C1 ZINC000329542770 295384562 /nfs/dbraw/zinc/38/45/62/295384562.db2.gz FACWLOFJFUJPTF-LLVKDONJSA-N 0 0 302.403 2.301 10 30 DEEERN Cn1cnc2c(c1=O)CCN(C(=O)N[C@@H]1CCCCC1(C)C)C2 ZINC000328643374 303021808 /nfs/dbraw/zinc/02/18/08/303021808.db2.gz YVKQBGJZGVPTTD-CQSZACIVSA-N 0 0 318.421 2.021 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000408338640 303159269 /nfs/dbraw/zinc/15/92/69/303159269.db2.gz LTVFXJZUBCNUIM-FZKCQIBNSA-N 0 0 317.433 2.224 10 30 DEEERN Cc1cc(F)ccc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000363406215 331899034 /nfs/dbraw/zinc/89/90/34/331899034.db2.gz LOXLBRGEJGYLPK-AWEZNQCLSA-N 0 0 302.353 2.338 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1NC(C)=O ZINC000558903228 331956244 /nfs/dbraw/zinc/95/62/44/331956244.db2.gz ZKGRWCALRLYHDE-GDBMZVCRSA-N 0 0 302.374 2.242 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000584288106 332215208 /nfs/dbraw/zinc/21/52/08/332215208.db2.gz PNBCFVRVHGADGB-QEJZJMRPSA-N 0 0 324.808 2.264 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000566275479 332307191 /nfs/dbraw/zinc/30/71/91/332307191.db2.gz CPIPIVXYAIVJIZ-TUVASFSCSA-N 0 0 323.433 2.404 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@H](C)[C@H](C)[C@H]1C ZINC000562802487 332628115 /nfs/dbraw/zinc/62/81/15/332628115.db2.gz REHDHILMKYQSQF-XQLPTFJDSA-N 0 0 320.437 2.423 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@@H]1c1nc(C)no1 ZINC000569716384 332669583 /nfs/dbraw/zinc/66/95/83/332669583.db2.gz BVTAVHLQGVKAJD-MJBXVCDLSA-N 0 0 320.393 2.206 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000580279125 333054391 /nfs/dbraw/zinc/05/43/91/333054391.db2.gz CVSPXOCZSFWTFZ-CABCVRRESA-N 0 0 316.332 2.483 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCc2ccccc2C1 ZINC000563027711 333073585 /nfs/dbraw/zinc/07/35/85/333073585.db2.gz XTOIRQPVEFMKMA-BBWFWOEESA-N 0 0 300.402 2.434 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)NCc1noc(-c2cccc(F)c2)n1 ZINC000571034566 333483621 /nfs/dbraw/zinc/48/36/21/333483621.db2.gz NNYIEMGQJQNAHU-OLZOCXBDSA-N 0 0 317.320 2.083 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)OC ZINC000344083653 335216512 /nfs/dbraw/zinc/21/65/12/335216512.db2.gz JXYNCBFULGEUHJ-SWLSCSKDSA-N 0 0 323.364 2.465 10 30 DEEERN C=CCCCS(=O)(=O)N[C@@H](c1ccccc1F)[C@@H](C)O ZINC000519822966 335898159 /nfs/dbraw/zinc/89/81/59/335898159.db2.gz JCFYSIZPIXNYEW-BXUZGUMPSA-N 0 0 301.383 2.133 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000583626622 335999551 /nfs/dbraw/zinc/99/95/51/335999551.db2.gz ZCEIQZXOHKSGJU-GJZGRUSLSA-N 0 0 317.385 2.098 10 30 DEEERN C=CCCCN(C)C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC000532316006 336237720 /nfs/dbraw/zinc/23/77/20/336237720.db2.gz OSKPEORMGLISQF-UHFFFAOYSA-N 0 0 322.430 2.124 10 30 DEEERN C#CCNC(=O)CNc1nc(C)nc2scc(CC(C)C)c21 ZINC000301103388 336290082 /nfs/dbraw/zinc/29/00/82/336290082.db2.gz KXUUVZUKRSNXPX-UHFFFAOYSA-N 0 0 316.430 2.360 10 30 DEEERN C=CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](COC)CC1 ZINC000563936979 336387002 /nfs/dbraw/zinc/38/70/02/336387002.db2.gz OIOQXAWSRGONIS-CABCVRRESA-N 0 0 320.437 2.221 10 30 DEEERN C=CCN(CC=C)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000217286817 337078038 /nfs/dbraw/zinc/07/80/38/337078038.db2.gz CEJDNBZANNEMGB-MRXNPFEDSA-N 0 0 313.401 2.171 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1[S@@](=O)CC ZINC000583138747 337248534 /nfs/dbraw/zinc/24/85/34/337248534.db2.gz HSHVGURUBBDWRA-VUCVNMQBSA-N 0 0 307.415 2.135 10 30 DEEERN CC[C@H](COS(C)(=O)=O)Nc1ccc2c(C#N)nccc2c1 ZINC000584620038 337371869 /nfs/dbraw/zinc/37/18/69/337371869.db2.gz XXNYPYYPYZFICR-GFCCVEGCSA-N 0 0 319.386 2.273 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000571895720 337581367 /nfs/dbraw/zinc/58/13/67/337581367.db2.gz UQRWHTPPTZIKAN-UHFFFAOYSA-N 0 0 324.402 2.042 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[C@@H](CC)C1 ZINC000572215369 337597502 /nfs/dbraw/zinc/59/75/02/337597502.db2.gz SHAFIPNEKPYORM-CYBMUJFWSA-N 0 0 315.425 2.194 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CCC[C@H]1C(=O)OC(C)C ZINC000537151849 337900232 /nfs/dbraw/zinc/90/02/32/337900232.db2.gz LCZWHPBXBFBNDH-ZDUSSCGKSA-N 0 0 318.373 2.203 10 30 DEEERN CC[C@@](C)(C#N)C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000505235258 340164480 /nfs/dbraw/zinc/16/44/80/340164480.db2.gz HNISWLCWEHGULK-KRWDZBQOSA-N 0 0 320.437 2.113 10 30 DEEERN COCCOCc1cc(C(=O)N[C@@H](C#N)C2CC2)ccc1F ZINC000173630157 340369379 /nfs/dbraw/zinc/36/93/79/340369379.db2.gz AGHYMBRHUXDBLW-HNNXBMFYSA-N 0 0 306.337 2.021 10 30 DEEERN CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)[C@@H]2C[C@@H]2C2CC2)C1 ZINC000192974510 340571046 /nfs/dbraw/zinc/57/10/46/340571046.db2.gz BAGUHRNYCUFGPV-VXGBXAGGSA-N 0 0 306.362 2.089 10 30 DEEERN CC#CCCNC(=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000541747426 340982512 /nfs/dbraw/zinc/98/25/12/340982512.db2.gz UJDIERKTOSQGIZ-QGZVFWFLSA-N 0 0 301.386 2.453 10 30 DEEERN CC1(C#N)CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000543728399 341055453 /nfs/dbraw/zinc/05/54/53/341055453.db2.gz HGTMHUFMSJXXTO-UHFFFAOYSA-N 0 0 307.350 2.012 10 30 DEEERN C=CCCCN(C)C(=O)Nc1ccc(-n2cnnn2)c(C)c1 ZINC000077263951 341221952 /nfs/dbraw/zinc/22/19/52/341221952.db2.gz SZKRRAWZRRTKDC-UHFFFAOYSA-N 0 0 300.366 2.401 10 30 DEEERN C=CCCCCCNC(=O)c1cc(S(N)(=O)=O)cc(C)c1C ZINC000565548543 341530663 /nfs/dbraw/zinc/53/06/63/341530663.db2.gz HTFTWOLVRHFLMR-UHFFFAOYSA-N 0 0 324.446 2.427 10 30 DEEERN C=C(C)CNC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000156298129 341619513 /nfs/dbraw/zinc/61/95/13/341619513.db2.gz SERAMYOOZXGBDE-UHFFFAOYSA-N 0 0 315.417 2.301 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(N2CCC2)nc1 ZINC000573296789 341724015 /nfs/dbraw/zinc/72/40/15/341724015.db2.gz UBRBMFUPUWUMET-BBRMVZONSA-N 0 0 301.390 2.003 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCN(CC(F)F)[C@@H](CC)C1 ZINC000245714191 500571247 /nfs/dbraw/zinc/57/12/47/500571247.db2.gz GEYAPWIELZYKDP-STQMWFEESA-N 0 0 304.381 2.156 10 30 DEEERN COc1ccc(F)cc1CNC(=O)Nc1ccn(CCC#N)n1 ZINC000188974852 533942369 /nfs/dbraw/zinc/94/23/69/533942369.db2.gz XKRWMSDSYBXERK-UHFFFAOYSA-N 0 0 317.324 2.266 10 30 DEEERN C[C@@H]1CCO[C@@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000294623434 534110330 /nfs/dbraw/zinc/11/03/30/534110330.db2.gz PHLYXKYBEGEIJE-DYVFJYSZSA-N 0 0 314.385 2.353 10 30 DEEERN Cc1cc(CCNC(=O)N2CCC(C#N)CC2)cc(C)c1O ZINC000190901261 534156878 /nfs/dbraw/zinc/15/68/78/534156878.db2.gz FSIDOTWZQRAGQT-UHFFFAOYSA-N 0 0 301.390 2.497 10 30 DEEERN Cc1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)nc1C#N ZINC000302680044 534164272 /nfs/dbraw/zinc/16/42/72/534164272.db2.gz WHOIRRVXKBDDDQ-UHFFFAOYSA-N 0 0 320.396 2.153 10 30 DEEERN C[C@@H](Cc1cccc(F)c1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000370991630 534241285 /nfs/dbraw/zinc/24/12/85/534241285.db2.gz LFJYVMPYKFVVEY-SUMWQHHRSA-N 0 0 315.392 2.203 10 30 DEEERN C[C@@H](Cc1ccccc1F)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000371708678 534250616 /nfs/dbraw/zinc/25/06/16/534250616.db2.gz HCQNTEHAZLEVIB-XJKSGUPXSA-N 0 0 315.392 2.203 10 30 DEEERN C=CC[C@H](C(=O)N(C)C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000488996372 534323387 /nfs/dbraw/zinc/32/33/87/534323387.db2.gz YJIGRCCVEFWAPB-HOCLYGCPSA-N 0 0 321.442 2.239 10 30 DEEERN C=C(CC)CNC(=O)C(=O)Nc1cc(-c2ccsc2)nn1C ZINC000454050611 534405202 /nfs/dbraw/zinc/40/52/02/534405202.db2.gz SEFDFBYCAIQFQV-UHFFFAOYSA-N 0 0 318.402 2.170 10 30 DEEERN C=C(CC)CNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000454930388 534413849 /nfs/dbraw/zinc/41/38/49/534413849.db2.gz HZRKXHZCBDJWDK-ZBFHGGJFSA-N 0 0 315.417 2.441 10 30 DEEERN CC(C)[C@@H](C)CC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000246993551 519790192 /nfs/dbraw/zinc/79/01/92/519790192.db2.gz GPVPANSFFZCSST-KBPBESRZSA-N 0 0 315.421 2.068 10 30 DEEERN C=CC(C)(C)CNC(=O)N[C@@H]1C[C@H](OCC)[C@@H]1n1cccn1 ZINC000455111827 534513801 /nfs/dbraw/zinc/51/38/01/534513801.db2.gz RMLDDOGCSIGNKP-HZSPNIEDSA-N 0 0 306.410 2.113 10 30 DEEERN C=CCC(C)(C)CNC(=O)N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000458814057 534547906 /nfs/dbraw/zinc/54/79/06/534547906.db2.gz UAPVFZCUNKNBKY-RBSFLKMASA-N 0 0 310.438 2.160 10 30 DEEERN N#CCCCCNC(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000358431914 534599436 /nfs/dbraw/zinc/59/94/36/534599436.db2.gz RUPLGORYOKWTMC-MRXNPFEDSA-N 0 0 317.389 2.170 10 30 DEEERN COC(=O)[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C[C@H]1C ZINC000248960397 523717456 /nfs/dbraw/zinc/71/74/56/523717456.db2.gz BBHQSWBDARNDJS-UKRRQHHQSA-N 0 0 311.385 2.442 10 30 DEEERN CO[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2C#N)CC[C@@H]1C ZINC000249139100 523733379 /nfs/dbraw/zinc/73/33/79/523733379.db2.gz FHKGWQVYCXVYNN-HEHGZKQESA-N 0 0 302.374 2.209 10 30 DEEERN O=C(N[C@@H]1CCc2c[nH]nc2C1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330059411 534763216 /nfs/dbraw/zinc/76/32/16/534763216.db2.gz KWUNLFLQLYWZPC-IJEWVQPXSA-N 0 0 312.373 2.396 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000365177424 525955975 /nfs/dbraw/zinc/95/59/75/525955975.db2.gz KWMLUEDAKWSTPE-GFCCVEGCSA-N 0 0 323.352 2.011 10 30 DEEERN C=CCN1CC[C@@H](N2CCO[C@H](c3ccc(F)c(C)c3)C2)C1=O ZINC000337193376 526482410 /nfs/dbraw/zinc/48/24/10/526482410.db2.gz VJJRGLOPJHQAMM-SJORKVTESA-N 0 0 318.392 2.294 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCO[C@H](c2nccs2)C1 ZINC000195521709 526539058 /nfs/dbraw/zinc/53/90/58/526539058.db2.gz IMJSRPZSESSVCZ-KGLIPLIRSA-N 0 0 323.462 2.330 10 30 DEEERN C#CCC(CC#C)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC000377267382 526673875 /nfs/dbraw/zinc/67/38/75/526673875.db2.gz VGTNQBBBONSVOB-ZWKOTPCHSA-N 0 0 323.392 2.064 10 30 DEEERN C#CCCCC(=O)N(C)C1CCN(Cc2cc(C)no2)CC1 ZINC000370452482 526678032 /nfs/dbraw/zinc/67/80/32/526678032.db2.gz KCMSDELQKHYOEL-UHFFFAOYSA-N 0 0 303.406 2.209 10 30 DEEERN C=CCNc1ncc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)s1 ZINC000129021160 526680592 /nfs/dbraw/zinc/68/05/92/526680592.db2.gz JRGUOHAIGVZUPY-NSHDSACASA-N 0 0 317.418 2.104 10 30 DEEERN C#CCCCC(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000192151206 526682456 /nfs/dbraw/zinc/68/24/56/526682456.db2.gz XXYWYFCKHXJEIH-CABCVRRESA-N 0 0 320.458 2.430 10 30 DEEERN C#CCCCCNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000155873391 526705408 /nfs/dbraw/zinc/70/54/08/526705408.db2.gz BLDTUBWNDQIHPH-HNNXBMFYSA-N 0 0 318.442 2.201 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000185026389 526711734 /nfs/dbraw/zinc/71/17/34/526711734.db2.gz WJXSMXJGIORESK-ZDUSSCGKSA-N 0 0 324.446 2.155 10 30 DEEERN C#CCCCn1cnc2c(c1=O)CCN(Cc1ccccc1)C2 ZINC000378607634 526721498 /nfs/dbraw/zinc/72/14/98/526721498.db2.gz GTKYKGHKNVWINQ-UHFFFAOYSA-N 0 0 307.397 2.215 10 30 DEEERN C=C(C)Cn1c(CC2CC2)nnc1N1CCN(C2CC2)CC1 ZINC000338869809 526728325 /nfs/dbraw/zinc/72/83/25/526728325.db2.gz NWUGRPDVPZDTLR-UHFFFAOYSA-N 0 0 301.438 2.091 10 30 DEEERN C=C(C)Cn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1C(C)(C)C ZINC000338806691 526733104 /nfs/dbraw/zinc/73/31/04/526733104.db2.gz ZOVDQWCOBSPOBJ-CQSZACIVSA-N 0 0 319.453 2.257 10 30 DEEERN C#CCCNC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000369283327 526734483 /nfs/dbraw/zinc/73/44/83/526734483.db2.gz BBAZUDJMDCIFEL-CYBMUJFWSA-N 0 0 321.371 2.252 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)CC(C)(C)C ZINC000283312361 526736881 /nfs/dbraw/zinc/73/68/81/526736881.db2.gz PPGBPGFXALDDNR-ZDUSSCGKSA-N 0 0 308.426 2.424 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(C)(C)C1 ZINC000283249056 526739847 /nfs/dbraw/zinc/73/98/47/526739847.db2.gz LEZTZLHXJXVTTL-CYBMUJFWSA-N 0 0 306.410 2.178 10 30 DEEERN C#CCCOc1ccc(C(=O)N[C@H](CC)[C@H](O)C(F)F)cc1 ZINC000295581044 526742389 /nfs/dbraw/zinc/74/23/89/526742389.db2.gz WNHLRCZXABLTRY-KGLIPLIRSA-N 0 0 311.328 2.223 10 30 DEEERN C=CCOCCCC(=O)N[C@](C)(C(=O)OC)c1ccc(F)cc1 ZINC000362232628 526742998 /nfs/dbraw/zinc/74/29/98/526742998.db2.gz IIWAORBNOVNDPY-KRWDZBQOSA-N 0 0 323.364 2.313 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCc1nccn1CC(F)(F)F)OCC ZINC000339302996 526749513 /nfs/dbraw/zinc/74/95/13/526749513.db2.gz QRTKHGBKJPNQHB-LLVKDONJSA-N 0 0 319.327 2.433 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000367208419 526777657 /nfs/dbraw/zinc/77/76/57/526777657.db2.gz WFPJTKRMZOYGEQ-XPKDYRNWSA-N 0 0 318.421 2.078 10 30 DEEERN C=CCOCCNC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000378598892 526778784 /nfs/dbraw/zinc/77/87/84/526778784.db2.gz WEWQROBJJWUEQG-GOEBONIOSA-N 0 0 304.390 2.361 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC[C@]23CCOC3)cc1OC ZINC000422086108 526842007 /nfs/dbraw/zinc/84/20/07/526842007.db2.gz HRKXNHCBJVYRQB-QGZVFWFLSA-N 0 0 303.358 2.265 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCCc1nccs1 ZINC000292570091 526846541 /nfs/dbraw/zinc/84/65/41/526846541.db2.gz RMADNJOGRAZHTR-GXTWGEPZSA-N 0 0 309.435 2.356 10 30 DEEERN C#CCN(CC#C)[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000299221330 526848426 /nfs/dbraw/zinc/84/84/26/526848426.db2.gz INZOAGOWFIOYNQ-INIZCTEOSA-N 0 0 309.413 2.182 10 30 DEEERN CC(=O)N[C@H](CC(=O)Nc1cc(C#N)ccn1)c1ccc(C)cc1 ZINC000435995800 526888186 /nfs/dbraw/zinc/88/81/86/526888186.db2.gz RNNSSZDOALQXOT-MRXNPFEDSA-N 0 0 322.368 2.468 10 30 DEEERN C=CCC(C)(C)CNC(=O)N1CCSC[C@@H](C(=O)OC)C1 ZINC000413581617 527005710 /nfs/dbraw/zinc/00/57/10/527005710.db2.gz QOXSJHSVOSZBTK-LBPRGKRZSA-N 0 0 314.451 2.136 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@H](c3ccnn3C)C2)CCOCC1 ZINC000424819672 527043496 /nfs/dbraw/zinc/04/34/96/527043496.db2.gz JYMFFCNTSSIOMX-HNNXBMFYSA-N 0 0 317.433 2.499 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000280966919 527047521 /nfs/dbraw/zinc/04/75/21/527047521.db2.gz KNLSMOHKTZDYHP-KGLIPLIRSA-N 0 0 303.410 2.099 10 30 DEEERN C=CCC1(C(=O)N[C@H]2CCCN(c3cccnn3)C2)CCC1 ZINC000191873280 527058899 /nfs/dbraw/zinc/05/88/99/527058899.db2.gz OXBRHCMSYRZFGF-AWEZNQCLSA-N 0 0 300.406 2.308 10 30 DEEERN C=CCC1(C(=O)Nc2nc(C(=O)OCC)c(C)o2)CCOCC1 ZINC000425557161 527062083 /nfs/dbraw/zinc/06/20/83/527062083.db2.gz BCXSZBKDKKMEET-UHFFFAOYSA-N 0 0 322.361 2.471 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000337078858 527099932 /nfs/dbraw/zinc/09/99/32/527099932.db2.gz TUPOIBQOHAIKJL-ZDUSSCGKSA-N 0 0 322.364 2.348 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1csc(Cc2ccccc2)n1 ZINC000185907667 527101234 /nfs/dbraw/zinc/10/12/34/527101234.db2.gz MCTIFBKNURXMCM-ZDUSSCGKSA-N 0 0 302.399 2.401 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCOCC(F)(F)C1 ZINC000292714847 527160284 /nfs/dbraw/zinc/16/02/84/527160284.db2.gz YLDDIJCCFWGWKM-HNNXBMFYSA-N 0 0 322.355 2.298 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCCCCO ZINC000288196254 527160757 /nfs/dbraw/zinc/16/07/57/527160757.db2.gz PDJAKGTUHSBQFA-KRWDZBQOSA-N 0 0 302.418 2.425 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC000376219886 527161741 /nfs/dbraw/zinc/16/17/41/527161741.db2.gz GZUHEYWLHQLYBN-SJORKVTESA-N 0 0 307.397 2.196 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCC[C@@H](C)CCO ZINC000297572985 527173014 /nfs/dbraw/zinc/17/30/14/527173014.db2.gz BZHIACRFMYSGKQ-NVXWUHKLSA-N 0 0 302.418 2.329 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000285845702 527173509 /nfs/dbraw/zinc/17/35/09/527173509.db2.gz PARHNNGSTXISKN-NVXWUHKLSA-N 0 0 307.397 2.265 10 30 DEEERN C=CCCCN(C)C(=O)CCc1nc(-c2ccccn2)no1 ZINC000361403208 527182189 /nfs/dbraw/zinc/18/21/89/527182189.db2.gz CQVHOGXODOPMOA-UHFFFAOYSA-N 0 0 300.362 2.489 10 30 DEEERN C=CCCCN(C)C(=O)NCCNC(=O)c1ccc(OC)cc1 ZINC000077571656 527183014 /nfs/dbraw/zinc/18/30/14/527183014.db2.gz BLYYKBIBIYAPME-UHFFFAOYSA-N 0 0 319.405 2.033 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1ccc2c(c1)nc(C(F)F)n2C ZINC000337000803 527183665 /nfs/dbraw/zinc/18/36/65/527183665.db2.gz SMSXRGTUURZPKE-JTQLQIEISA-N 0 0 323.343 2.425 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000348821430 527199237 /nfs/dbraw/zinc/19/92/37/527199237.db2.gz WBBWDZVFKISDMK-PMPSAXMXSA-N 0 0 322.380 2.282 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000183003312 527202170 /nfs/dbraw/zinc/20/21/70/527202170.db2.gz MMFQPKRQDLTBAQ-SECBINFHSA-N 0 0 314.769 2.416 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC000280406113 527206936 /nfs/dbraw/zinc/20/69/36/527206936.db2.gz WDIKFHZDJOOSDK-SSDOTTSWSA-N 0 0 315.345 2.239 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC000448375446 527209277 /nfs/dbraw/zinc/20/92/77/527209277.db2.gz NUBMIPOCEWVDMF-UHFFFAOYSA-N 0 0 324.384 2.473 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1csc(-c2ccc(C)n2C)n1 ZINC000337050566 527209828 /nfs/dbraw/zinc/20/98/28/527209828.db2.gz JINPPDJTJDPMOZ-LLVKDONJSA-N 0 0 305.403 2.124 10 30 DEEERN C=CCCCNC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000447998315 527223246 /nfs/dbraw/zinc/22/32/46/527223246.db2.gz FSAFXMIDALUTET-UHFFFAOYSA-N 0 0 319.409 2.030 10 30 DEEERN CC(=O)c1ccc(C#N)c(N(C)Cc2cnc(N(C)C)nc2)c1 ZINC000302135704 527224224 /nfs/dbraw/zinc/22/42/24/527224224.db2.gz MHMYMESWXJRFCT-UHFFFAOYSA-N 0 0 309.373 2.253 10 30 DEEERN C=CCc1cc(C(=O)N2CC[C@@H]2COC)cc(OC)c1OC ZINC000294432618 527231863 /nfs/dbraw/zinc/23/18/63/527231863.db2.gz SLAJUXVPFLMSTA-CQSZACIVSA-N 0 0 305.374 2.293 10 30 DEEERN C=CCCCNS(=O)(=O)c1cc(C(=O)OC)cc(F)c1C ZINC000447925145 527234280 /nfs/dbraw/zinc/23/42/80/527234280.db2.gz IHGUDLPRGVIWMQ-UHFFFAOYSA-N 0 0 315.366 2.165 10 30 DEEERN C=CCCCNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1 ZINC000447944976 527234631 /nfs/dbraw/zinc/23/46/31/527234631.db2.gz UNCKIXMFDNYLQB-UHFFFAOYSA-N 0 0 317.794 2.371 10 30 DEEERN C=CCCCS(=O)(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000292537594 527238029 /nfs/dbraw/zinc/23/80/29/527238029.db2.gz JGUDSSYCMWWLEC-CYBMUJFWSA-N 0 0 324.450 2.088 10 30 DEEERN C=CCCCS(=O)(=O)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000292764491 527244957 /nfs/dbraw/zinc/24/49/57/527244957.db2.gz XBYGMARPURGLMT-ZDUSSCGKSA-N 0 0 303.811 2.259 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N1CC[C@]2(CCOC2)C1 ZINC000337864403 527281220 /nfs/dbraw/zinc/28/12/20/527281220.db2.gz PCMITWKZMMLUSO-INIZCTEOSA-N 0 0 300.362 2.341 10 30 DEEERN C=CCCC[C@H](C)NC(=O)COc1cccc(C(=O)NC)c1 ZINC000343260926 527285106 /nfs/dbraw/zinc/28/51/06/527285106.db2.gz RFCNESSVKXJYGW-ZDUSSCGKSA-N 0 0 304.390 2.286 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCSC[C@@H](C(=O)OC)C1 ZINC000413445973 527288070 /nfs/dbraw/zinc/28/80/70/527288070.db2.gz XAMYSHLVMBHAEO-STQMWFEESA-N 0 0 314.451 2.279 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000410687701 527298937 /nfs/dbraw/zinc/29/89/37/527298937.db2.gz KYTAIPCXHOLBDB-OAHLLOKOSA-N 0 0 302.418 2.419 10 30 DEEERN C=CCn1c(Cc2ccccn2)nnc1N1CCS[C@@H](C)C1 ZINC000282578986 527328281 /nfs/dbraw/zinc/32/82/81/527328281.db2.gz LBHFBRZOMLKTCF-ZDUSSCGKSA-N 0 0 315.446 2.392 10 30 DEEERN C=CCCOCCNC(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000338488482 527359274 /nfs/dbraw/zinc/35/92/74/527359274.db2.gz XEGINEOICUHEIG-UHFFFAOYSA-N 0 0 315.377 2.041 10 30 DEEERN C=CCCOCCNC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000372404228 527363773 /nfs/dbraw/zinc/36/37/73/527363773.db2.gz KIAXEWMPHIPGDY-ZDUSSCGKSA-N 0 0 305.422 2.347 10 30 DEEERN C=CCn1cc(CNC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)nn1 ZINC000333325982 527366831 /nfs/dbraw/zinc/36/68/31/527366831.db2.gz AGXZKLYJRYCHIK-CXUGXGMPSA-N 0 0 315.421 2.042 10 30 DEEERN C#Cc1ccc(CNC(=O)NCc2csc(COC)n2)cc1 ZINC000297151393 527437401 /nfs/dbraw/zinc/43/74/01/527437401.db2.gz QZCKYWGNUOWUNA-UHFFFAOYSA-N 0 0 315.398 2.270 10 30 DEEERN C#Cc1cccc(N(CC)CC(=O)N2CCOC[C@@H]2C2CC2)c1 ZINC000372316662 527442631 /nfs/dbraw/zinc/44/26/31/527442631.db2.gz OXXAFCBEFJTFNO-GOSISDBHSA-N 0 0 312.413 2.132 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)C[C@@H](O)CC2CCCC2)c1 ZINC000190402660 527451178 /nfs/dbraw/zinc/45/11/78/527451178.db2.gz XNVHWZIPAUWOTM-SFHVURJKSA-N 0 0 314.429 2.479 10 30 DEEERN C#Cc1ccccc1CC(=O)N1CC[C@H](C(N)=O)c2ccccc21 ZINC000368260731 527462380 /nfs/dbraw/zinc/46/23/80/527462380.db2.gz RRTVCELAQYIRPF-KRWDZBQOSA-N 0 0 318.376 2.216 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCCC[C@@H]1C ZINC000425881321 527491867 /nfs/dbraw/zinc/49/18/67/527491867.db2.gz HCDYTPNIWHVGCO-FZKCQIBNSA-N 0 0 322.449 2.026 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(SC)cc1 ZINC000425177137 527499164 /nfs/dbraw/zinc/49/91/64/527499164.db2.gz DWEFRMIDMZDVRP-FZMZJTMJSA-N 0 0 313.444 2.278 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCCOC1 ZINC000337523711 527502849 /nfs/dbraw/zinc/50/28/49/527502849.db2.gz WWCYRANFFHMSFQ-CQSZACIVSA-N 0 0 302.374 2.039 10 30 DEEERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1(C#N)CCOCC1 ZINC000185101811 527527676 /nfs/dbraw/zinc/52/76/76/527527676.db2.gz LWFHZRYTLGDRJA-ZRDIBKRKSA-N 0 0 315.329 2.187 10 30 DEEERN C=CCCn1cc(C(=O)Nc2ncnc3oc(C)c(C)c32)nn1 ZINC000425424399 527530642 /nfs/dbraw/zinc/53/06/42/527530642.db2.gz NCKUSLQWVOSHTR-UHFFFAOYSA-N 0 0 312.333 2.260 10 30 DEEERN C=C[C@@](C)(O)CC(=O)NC(C)(C)c1cc(C(F)(F)F)on1 ZINC000345969207 527542894 /nfs/dbraw/zinc/54/28/94/527542894.db2.gz XEPKXCAQFQNGMF-GFCCVEGCSA-N 0 0 306.284 2.372 10 30 DEEERN C=CCN(C(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O)C1CC1 ZINC000368584981 527547432 /nfs/dbraw/zinc/54/74/32/527547432.db2.gz WXFIMFFGYZWNAU-CYBMUJFWSA-N 0 0 320.339 2.495 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CO[C@H](C)c1nccn1C ZINC000341434835 527585482 /nfs/dbraw/zinc/58/54/82/527585482.db2.gz ASIRVONQUJWWGH-SNVBAGLBSA-N 0 0 305.300 2.075 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000188245982 527618812 /nfs/dbraw/zinc/61/88/12/527618812.db2.gz FJEUQPXACZEOPK-GOSISDBHSA-N 0 0 317.433 2.395 10 30 DEEERN CC(C)(C)CN(CCC#N)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000245800470 527681552 /nfs/dbraw/zinc/68/15/52/527681552.db2.gz IYWCBEJUXQHEHH-HZPDHXFCSA-N 0 0 321.465 2.418 10 30 DEEERN CC1(C)Cc2cccc(S(=O)(=O)N[C@@H]3CCC[C@H]3C#N)c2O1 ZINC000407958513 527778402 /nfs/dbraw/zinc/77/84/02/527778402.db2.gz RSOXKMVDSLUCGL-QWHCGFSZSA-N 0 0 320.414 2.371 10 30 DEEERN CC1CCC(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000369221059 528180903 /nfs/dbraw/zinc/18/09/03/528180903.db2.gz VSCOWSXBZHNKHG-ZBCRRDGASA-N 0 0 304.438 2.194 10 30 DEEERN CC(C)Cc1ccc([C@@H](C)C(=O)N2CC(O)(CC#N)C2)cc1 ZINC000193968764 528651641 /nfs/dbraw/zinc/65/16/41/528651641.db2.gz PUIUZJLJFGTMQE-CQSZACIVSA-N 0 0 300.402 2.476 10 30 DEEERN CC(C)[C@H](C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O)c1ccncc1 ZINC000329821555 528895391 /nfs/dbraw/zinc/89/53/91/528895391.db2.gz AOMBXRUZXNFMIA-ZFWWWQNUSA-N 0 0 317.389 2.314 10 30 DEEERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000407980764 528960490 /nfs/dbraw/zinc/96/04/90/528960490.db2.gz NYALTZLBJVBUMW-AWEZNQCLSA-N 0 0 319.449 2.470 10 30 DEEERN CC[C@@H]1CCCC[C@H]1OCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000376370682 529290616 /nfs/dbraw/zinc/29/06/16/529290616.db2.gz RMUIHHQTZUGOBT-DJIMGWMZSA-N 0 0 319.449 2.171 10 30 DEEERN COc1cc(C#N)cc(OCC(=O)Nc2nc(C)cs2)c1 ZINC000362723105 536876207 /nfs/dbraw/zinc/87/62/07/536876207.db2.gz MGMZXPRFTQPWGU-UHFFFAOYSA-N 0 0 303.343 2.349 10 30 DEEERN COc1ccnc(COC(=O)[C@H](C)Oc2ccccc2C#N)c1 ZINC000102149496 649945310 /nfs/dbraw/zinc/94/53/10/649945310.db2.gz JOTALOVXVVCODD-LBPRGKRZSA-N 0 0 312.325 2.473 10 30 DEEERN C[C@@H](NC(=O)NCc1cnnn1C)C12CC3CC(CC(C3)C1)C2 ZINC000329414929 625412497 /nfs/dbraw/zinc/41/24/97/625412497.db2.gz CTZPUZPJSMRANV-SFCYXTAJSA-N 0 0 317.437 2.424 10 30 DEEERN C=C(Br)CNC(=O)Cn1ccc(=O)c2ccccc21 ZINC000049400854 622563115 /nfs/dbraw/zinc/56/31/15/622563115.db2.gz TTYMLTSAHBAODE-UHFFFAOYSA-N 0 0 321.174 2.026 10 30 DEEERN C=CCOCCCC(=O)O[C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000187654048 622873307 /nfs/dbraw/zinc/87/33/07/622873307.db2.gz NTDBHRGWULVTSX-CABCVRRESA-N 0 0 312.406 2.487 10 30 DEEERN CC(=O)CCc1ccc(OCC(=O)O[C@H](C#N)C2CC2)cc1 ZINC000177041638 625622204 /nfs/dbraw/zinc/62/22/04/625622204.db2.gz DSXUYHKOQJWGKY-MRXNPFEDSA-N 0 0 301.342 2.432 10 30 DEEERN C#CCN(CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1)C1CCCC1 ZINC000255054430 623175490 /nfs/dbraw/zinc/17/54/90/623175490.db2.gz VPVDMDUQDKVWTH-AWEZNQCLSA-N 0 0 314.433 2.092 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)Nc1cncc(-n2cncn2)n1 ZINC000804808087 623251024 /nfs/dbraw/zinc/25/10/24/623251024.db2.gz OSMUXZRTRGNBMI-HNNXBMFYSA-N 0 0 304.357 2.104 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)Cc1nccn1CC(F)(F)F ZINC000806771870 623268679 /nfs/dbraw/zinc/26/86/79/623268679.db2.gz XBDAMBXIIPCUKT-UHFFFAOYSA-N 0 0 311.307 2.067 10 30 DEEERN C=C[C@@H](C)OC(=O)c1cnn(CCO[C@@H]2CCCCO2)c1C ZINC000187574516 623928088 /nfs/dbraw/zinc/92/80/88/623928088.db2.gz XXZHIFVQIJHPLQ-IUODEOHRSA-N 0 0 308.378 2.466 10 30 DEEERN CC[C@H](CC#N)OC(=O)CCc1nc(-c2ccncc2)no1 ZINC000187949255 624119053 /nfs/dbraw/zinc/11/90/53/624119053.db2.gz MMXXXAOZSMOFQW-GFCCVEGCSA-N 0 0 300.318 2.300 10 30 DEEERN CCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1C ZINC000255391716 624559243 /nfs/dbraw/zinc/55/92/43/624559243.db2.gz LVCTWBXQAQUOFW-GFCCVEGCSA-N 0 0 305.403 2.083 10 30 DEEERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(c2ncc(C#N)cc2Cl)C1 ZINC000888077466 625055821 /nfs/dbraw/zinc/05/58/21/625055821.db2.gz CMTRGJRBWOEJMY-ZYHUDNBSSA-N 0 0 303.753 2.296 10 30 DEEERN CCn1cnnc1[C@H]1CCCN(c2ccc(C#N)cc2CO)C1 ZINC000893066253 625088137 /nfs/dbraw/zinc/08/81/37/625088137.db2.gz SGRFUGOGZRZQHJ-AWEZNQCLSA-N 0 0 311.389 2.046 10 30 DEEERN Cc1nc(C(=O)OCCNc2ncccc2C#N)c(C)s1 ZINC000178742419 625098562 /nfs/dbraw/zinc/09/85/62/625098562.db2.gz QECPMCVIGXDGQY-UHFFFAOYSA-N 0 0 302.359 2.296 10 30 DEEERN C=CCC[C@H](C)OC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000246397687 625201161 /nfs/dbraw/zinc/20/11/61/625201161.db2.gz LKBKICAITUTABP-IGQOVBAYSA-N 0 0 307.390 2.448 10 30 DEEERN C#CCOc1cccc(COC(=O)C2(C(=O)OCC)CC2)c1 ZINC000181071874 625244539 /nfs/dbraw/zinc/24/45/39/625244539.db2.gz OLPQRGZQJRHNOD-UHFFFAOYSA-N 0 0 302.326 2.085 10 30 DEEERN C#CCCNC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000733623357 633246258 /nfs/dbraw/zinc/24/62/58/633246258.db2.gz LQLWTXXIXOLZQR-HUUCEWRRSA-N 0 0 315.417 2.441 10 30 DEEERN C=C(COC(=O)CSc1ccc(OC)cc1)C(=O)OCC ZINC000734028322 633313207 /nfs/dbraw/zinc/31/32/07/633313207.db2.gz GLCNPLMTWQSTOO-UHFFFAOYSA-N 0 0 310.371 2.450 10 30 DEEERN C#CCOc1ccccc1CNC(=O)[C@@H](C)n1nc(C)cc1C ZINC000734104038 633331113 /nfs/dbraw/zinc/33/11/13/633331113.db2.gz DJXRGBIWBLXKKO-OAHLLOKOSA-N 0 0 311.385 2.389 10 30 DEEERN N#CCOc1ccc(Cl)cc1CN1CCC(CC(N)=O)CC1 ZINC000735307838 633500275 /nfs/dbraw/zinc/50/02/75/633500275.db2.gz AEBUKSJHTBTMSJ-UHFFFAOYSA-N 0 0 321.808 2.330 10 30 DEEERN N#CCOc1ccc(Cl)cc1COC(=O)C1=COCCO1 ZINC000735333819 633503737 /nfs/dbraw/zinc/50/37/37/633503737.db2.gz ISRABWHKXWBVBU-UHFFFAOYSA-N 0 0 309.705 2.174 10 30 DEEERN C#CCOc1ccccc1[C@H](C)OC(=O)COC[C@@H]1CCCO1 ZINC000073532789 634141703 /nfs/dbraw/zinc/14/17/03/634141703.db2.gz OTVMWRMAHFYRHK-GJZGRUSLSA-N 0 0 318.369 2.498 10 30 DEEERN C#CC[C@H](OC(=O)c1ccc(N2CCOCC2)nc1)C(C)C ZINC000747192375 636426497 /nfs/dbraw/zinc/42/64/97/636426497.db2.gz BWVCQVDBKBBWAO-HNNXBMFYSA-N 0 0 302.374 2.123 10 30 DEEERN C#Cc1cccc(NC(=S)NCC(=O)NC2CCCCC2)c1 ZINC000726486196 636435920 /nfs/dbraw/zinc/43/59/20/636435920.db2.gz ICNRJLAPRHYDBX-UHFFFAOYSA-N 0 0 315.442 2.403 10 30 DEEERN C=CCCC(=O)OCC(=O)NCCc1cccc2cccnc21 ZINC000726654968 636452051 /nfs/dbraw/zinc/45/20/51/636452051.db2.gz JALHOUYEACJMLJ-UHFFFAOYSA-N 0 0 312.369 2.403 10 30 DEEERN C#Cc1cccc(NC(=S)NCC2(O)Cc3ccccc3C2)c1 ZINC000737461190 637323292 /nfs/dbraw/zinc/32/32/92/637323292.db2.gz JUZJJBYCXNJBQT-UHFFFAOYSA-N 0 0 322.433 2.484 10 30 DEEERN C#CCOc1cccc(NC(=O)C(=O)NCCC2=CCCC2)c1 ZINC000123756979 637387932 /nfs/dbraw/zinc/38/79/32/637387932.db2.gz KZNQBPAJWPNPAB-UHFFFAOYSA-N 0 0 312.369 2.254 10 30 DEEERN C=CCNc1nc(C(=O)OCC(=O)NC(C)(C)CC)cs1 ZINC000019140918 637479683 /nfs/dbraw/zinc/47/96/83/637479683.db2.gz OIGZLJNUOXKOMY-UHFFFAOYSA-N 0 0 311.407 2.203 10 30 DEEERN CC#CCCCCOC(=O)c1cnc2c(cnn2C)c1OC ZINC000183946380 637555850 /nfs/dbraw/zinc/55/58/50/637555850.db2.gz YQERZKRZOSECJU-UHFFFAOYSA-N 0 0 301.346 2.327 10 30 DEEERN C#CCSCCNC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000739825361 637718654 /nfs/dbraw/zinc/71/86/54/637718654.db2.gz IUWYIBDYRRJWOG-UHFFFAOYSA-N 0 0 320.389 2.027 10 30 DEEERN C=CCn1c(C)nn(CN2CCOC[C@@H]2C(F)(F)F)c1=S ZINC000739863271 637729575 /nfs/dbraw/zinc/72/95/75/637729575.db2.gz MEWJCTVXHJSTIG-SNVBAGLBSA-N 0 0 322.356 2.129 10 30 DEEERN CC(=NNc1ccc(S(C)(=O)=O)cc1)c1cnc(C)nc1C ZINC000741460111 637983349 /nfs/dbraw/zinc/98/33/49/637983349.db2.gz MICOEVYSYXWYGP-UHFFFAOYSA-N 0 0 318.402 2.333 10 30 DEEERN C#CCOc1ccc(C(=O)NCCc2c(C)nn(C)c2C)cc1 ZINC000741535053 637993794 /nfs/dbraw/zinc/99/37/94/637993794.db2.gz PEOKVIKIUBHMSJ-UHFFFAOYSA-N 0 0 311.385 2.021 10 30 DEEERN C#CCOc1ccc(NS(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000742030303 638032104 /nfs/dbraw/zinc/03/21/04/638032104.db2.gz WNAGLPWCSXQGBX-CYBMUJFWSA-N 0 0 308.403 2.087 10 30 DEEERN Cc1ccccc1CCNc1ccc(S(N)(=O)=O)cc1C#N ZINC000742174763 638040565 /nfs/dbraw/zinc/04/05/65/638040565.db2.gz FBYMYWGRCQWCPW-UHFFFAOYSA-N 0 0 315.398 2.169 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N(C)C[C@@H]1CCCO1 ZINC000743194426 638123746 /nfs/dbraw/zinc/12/37/46/638123746.db2.gz JIWFDMHZPRPAJU-ZDUSSCGKSA-N 0 0 306.337 2.480 10 30 DEEERN C[C@@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1cccc(C#N)c1 ZINC000743708252 638168699 /nfs/dbraw/zinc/16/86/99/638168699.db2.gz BHWSILTTYVIZAQ-DYVFJYSZSA-N 0 0 323.400 2.001 10 30 DEEERN C#CCOc1ccc(C(=O)OCCCn2ccccc2=O)cc1 ZINC000744105504 638190703 /nfs/dbraw/zinc/19/07/03/638190703.db2.gz ILBDSWULOSWMMM-UHFFFAOYSA-N 0 0 311.337 2.107 10 30 DEEERN C#C[C@H](C)OC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000744181419 638198742 /nfs/dbraw/zinc/19/87/42/638198742.db2.gz OVRNHOYMYDYOIO-ZFWWWQNUSA-N 0 0 317.360 2.172 10 30 DEEERN N#Cc1ccc(F)c(CNC(=O)NCCc2ccccc2O)c1 ZINC000745893216 638296176 /nfs/dbraw/zinc/29/61/76/638296176.db2.gz QKQAKWUTWHOMJB-UHFFFAOYSA-N 0 0 313.332 2.445 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)O[C@@H]3CCSC3)cc2C1=O ZINC000727772146 638331033 /nfs/dbraw/zinc/33/10/33/638331033.db2.gz AKLOSALJBBKFJY-LLVKDONJSA-N 0 0 317.366 2.131 10 30 DEEERN COc1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)cc1C#N ZINC000746534086 638353625 /nfs/dbraw/zinc/35/36/25/638353625.db2.gz PCNCPPQDPRTLTB-UHFFFAOYSA-N 0 0 323.352 2.130 10 30 DEEERN COc1ccc(CNC(=O)Nc2cccnc2OC)cc1C#N ZINC000746669856 638366568 /nfs/dbraw/zinc/36/65/68/638366568.db2.gz PDBNLPAUWKQVIA-UHFFFAOYSA-N 0 0 312.329 2.292 10 30 DEEERN COc1ccc(CNS(=O)(=O)c2ccccc2F)cc1C#N ZINC000746686143 638370638 /nfs/dbraw/zinc/37/06/38/638370638.db2.gz WVGNRBSMNSLCEU-UHFFFAOYSA-N 0 0 320.345 2.184 10 30 DEEERN COc1ccc(CNc2c(C)c(C)nc3ncnn32)cc1C#N ZINC000746704598 638371993 /nfs/dbraw/zinc/37/19/93/638371993.db2.gz DRDQKQRCMFRCLE-UHFFFAOYSA-N 0 0 308.345 2.234 10 30 DEEERN COc1ccc(CNC(=O)N[C@H]2C[C@H](OC)C2(C)C)cc1C#N ZINC000746734547 638373480 /nfs/dbraw/zinc/37/34/80/638373480.db2.gz VNBFJKTUDLPBQY-GJZGRUSLSA-N 0 0 317.389 2.180 10 30 DEEERN COc1ccc(CNC(=O)NCCC(F)(F)F)cc1C#N ZINC000746733518 638373744 /nfs/dbraw/zinc/37/37/44/638373744.db2.gz GJOOMOXBGSWIRN-UHFFFAOYSA-N 0 0 301.268 2.318 10 30 DEEERN COc1ccc(CNC(=O)N(C)CC(C)(C)OC)cc1C#N ZINC000746773187 638376301 /nfs/dbraw/zinc/37/63/01/638376301.db2.gz RUPYDFLKBHMHCP-UHFFFAOYSA-N 0 0 305.378 2.133 10 30 DEEERN COc1ccc(CNC(=O)NC[C@H](O)CC(C)(C)C)cc1C#N ZINC000746773531 638376883 /nfs/dbraw/zinc/37/68/83/638376883.db2.gz WBPMFJZNOMQZAG-CQSZACIVSA-N 0 0 319.405 2.163 10 30 DEEERN C#CC[C@@H](OC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(C)C ZINC000747193746 638417533 /nfs/dbraw/zinc/41/75/33/638417533.db2.gz GVGSIIUHUQGVGJ-QLFBSQMISA-N 0 0 319.401 2.143 10 30 DEEERN C=C(C)CNC(=S)NCc1ccc(CN2CCOCC2)cc1 ZINC000747752931 638473377 /nfs/dbraw/zinc/47/33/77/638473377.db2.gz ZKYGNDFEOBPUBM-UHFFFAOYSA-N 0 0 319.474 2.059 10 30 DEEERN CC[S@](=O)CCNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000747974871 638496399 /nfs/dbraw/zinc/49/63/99/638496399.db2.gz UFMSUSQDHFLVRR-QKKBWIMNSA-N 0 0 307.419 2.099 10 30 DEEERN C=CCCCC(=O)OCC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 ZINC000748235871 638533627 /nfs/dbraw/zinc/53/36/27/638533627.db2.gz OZOVWTDTSVXMGN-LBPRGKRZSA-N 0 0 305.378 2.114 10 30 DEEERN C#CCCCS(=O)(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000804983149 638722287 /nfs/dbraw/zinc/72/22/87/638722287.db2.gz OGGBCGVIQKIUBA-UHFFFAOYSA-N 0 0 309.431 2.487 10 30 DEEERN CCC(CC)NC(=O)[C@H](C)OC(=O)Cc1cccc(C#N)c1 ZINC000750429046 638743891 /nfs/dbraw/zinc/74/38/91/638743891.db2.gz ARGLNZGHKLQPHL-LBPRGKRZSA-N 0 0 302.374 2.337 10 30 DEEERN CNC(=O)c1ccc(COC(=O)Cc2cccc(C#N)c2)cc1 ZINC000750434415 638744932 /nfs/dbraw/zinc/74/49/32/638744932.db2.gz VPFMRLZYJVUMEP-UHFFFAOYSA-N 0 0 308.337 2.204 10 30 DEEERN C#CCCNC(=O)NCc1ccc(COC2CCOCC2)cc1 ZINC000752175473 639160983 /nfs/dbraw/zinc/16/09/83/639160983.db2.gz URWMPNUBGJRXLV-UHFFFAOYSA-N 0 0 316.401 2.205 10 30 DEEERN CCOC(=O)[C@@H](CC1CC1)NC(=O)CCc1ccc(C#N)cc1 ZINC000752385393 639178460 /nfs/dbraw/zinc/17/84/60/639178460.db2.gz PXIVKJCHBHMOMW-MRXNPFEDSA-N 0 0 314.385 2.339 10 30 DEEERN C=CCC[C@@H](OC(=O)c1ccc(=O)n(CCOC)c1)C1CC1 ZINC000752570675 639198671 /nfs/dbraw/zinc/19/86/71/639198671.db2.gz IIURFPIZRYJAPB-OAHLLOKOSA-N 0 0 305.374 2.396 10 30 DEEERN C#C[C@H](NS(=O)(=O)N(CC)Cc1ccccc1)C(C)(C)C ZINC000805146272 639839445 /nfs/dbraw/zinc/83/94/45/639839445.db2.gz ANDBRTGTKAZBKL-HNNXBMFYSA-N 0 0 308.447 2.391 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccc(C)nc1Cl)C(C)(C)C ZINC000805147563 639843166 /nfs/dbraw/zinc/84/31/66/639843166.db2.gz ZVRRQOZUYOUJQK-LLVKDONJSA-N 0 0 300.811 2.370 10 30 DEEERN Oc1ccc(/C=N/C2CCN(c3ccccn3)CC2)c(O)c1O ZINC000127925753 641483065 /nfs/dbraw/zinc/48/30/65/641483065.db2.gz MXJLHXPOOQFXDO-YBFXNURJSA-N 0 0 313.357 2.286 10 30 DEEERN C=C1c2ccccc2C(=O)N1CCC(=O)NC1(C#N)CCCC1 ZINC000192819404 641754410 /nfs/dbraw/zinc/75/44/10/641754410.db2.gz IXJLIUOQQQMLRL-UHFFFAOYSA-N 0 0 309.369 2.456 10 30 DEEERN C=C(COC(=O)c1ccc(OC)c(OC)c1C)C(=O)OCC ZINC000805593252 642297066 /nfs/dbraw/zinc/29/70/66/642297066.db2.gz VNBYNZCABQRHMJ-UHFFFAOYSA-N 0 0 308.330 2.288 10 30 DEEERN Cc1nc2c(nccc2C(=O)N(CCC#N)Cc2ccco2)[nH]1 ZINC000435685167 642530020 /nfs/dbraw/zinc/53/00/20/642530020.db2.gz XHUPEANNHRAFTN-UHFFFAOYSA-N 0 0 309.329 2.415 10 30 DEEERN C#Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(OC)c(OC)c2)cn1 ZINC000730191376 643095676 /nfs/dbraw/zinc/09/56/76/643095676.db2.gz VHQQRVPDIKDNAU-ZDUSSCGKSA-N 0 0 324.380 2.441 10 30 DEEERN C#CCOc1cccc(OC(=O)CO[C@@H](C)c2nccn2C)c1 ZINC000805878071 643651557 /nfs/dbraw/zinc/65/15/57/643651557.db2.gz YUKASLFCUSRSMA-ZDUSSCGKSA-N 0 0 314.341 2.115 10 30 DEEERN COC(=O)c1c(F)cccc1NN=Cc1cnn2cccnc12 ZINC000800818652 645307963 /nfs/dbraw/zinc/30/79/63/645307963.db2.gz IUMBLYDUHYZLSF-UHFFFAOYSA-N 0 0 313.292 2.101 10 30 DEEERN N#Cc1ccc(-c2ccn(CN3CCO[C@@H](C(F)F)C3)n2)cc1 ZINC000800852694 645311639 /nfs/dbraw/zinc/31/16/39/645311639.db2.gz MBHPYZFMEZDTQT-OAHLLOKOSA-N 0 0 318.327 2.345 10 30 DEEERN C#CC[C@@H](OC(=O)COCc1cc(C)no1)c1ccccn1 ZINC000802073644 645477979 /nfs/dbraw/zinc/47/79/79/645477979.db2.gz NNLRKZPBODJCMS-OAHLLOKOSA-N 0 0 300.314 2.202 10 30 DEEERN C#C[C@@H](C)Oc1ccc(COC(=O)[C@]2(C)CCC(=O)NC2)cc1 ZINC000802811759 645563097 /nfs/dbraw/zinc/56/30/97/645563097.db2.gz OQGAXQHREYKJHJ-FZKQIMNGSA-N 0 0 315.369 2.047 10 30 DEEERN C#CCn1c(-c2cnn(C)n2)csc1=Nc1ccccc1F ZINC000803153700 645611919 /nfs/dbraw/zinc/61/19/19/645611919.db2.gz HXEDMVJJEVBVOX-UHFFFAOYSA-N 0 0 313.361 2.350 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC000803525647 645668923 /nfs/dbraw/zinc/66/89/23/645668923.db2.gz FPOXSRWQHIIUIR-OAHLLOKOSA-N 0 0 310.401 2.398 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)Nc1ccccc1OCC ZINC000803699529 645681642 /nfs/dbraw/zinc/68/16/42/645681642.db2.gz GIMRZZKLRSOMMY-UHFFFAOYSA-N 0 0 313.353 2.230 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1noc(-c2ccccc2O)n1 ZINC000803698295 645681772 /nfs/dbraw/zinc/68/17/72/645681772.db2.gz LKSHYFANNBORGZ-UHFFFAOYSA-N 0 0 310.309 2.148 10 30 DEEERN C=CCOCC(=O)N1CCC([C@@H](O)c2ccccc2C)CC1 ZINC000804509546 645784508 /nfs/dbraw/zinc/78/45/08/645784508.db2.gz AIEQILRTVFMZBF-GOSISDBHSA-N 0 0 303.402 2.470 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2CCCC2(F)F)c1 ZINC000806468074 645834594 /nfs/dbraw/zinc/83/45/94/645834594.db2.gz SIHFBWXSVYQPFG-CYBMUJFWSA-N 0 0 321.327 2.093 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000806487466 645836461 /nfs/dbraw/zinc/83/64/61/645836461.db2.gz ZIFXUZRUXASGLX-UHFFFAOYSA-N 0 0 310.353 2.240 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cccc(CN2CCOCC2)c1 ZINC000806571662 645847097 /nfs/dbraw/zinc/84/70/97/645847097.db2.gz LPHVRZJZZPEUIJ-UHFFFAOYSA-N 0 0 310.397 2.120 10 30 DEEERN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@H]1CC[C@H](C)O1 ZINC000121558675 651051069 /nfs/dbraw/zinc/05/10/69/651051069.db2.gz DQOZOSZOBMTRIP-YWPYICTPSA-N 0 0 316.357 2.300 10 30 DEEERN C#CCC(CC#C)C(=O)NC1CCN(c2ccccc2C#N)CC1 ZINC000806694862 645863236 /nfs/dbraw/zinc/86/32/36/645863236.db2.gz IZNCOKFSJIVUNZ-UHFFFAOYSA-N 0 0 319.408 2.306 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000807157743 645916678 /nfs/dbraw/zinc/91/66/78/645916678.db2.gz CHIOBGOQPDEXDT-CQSZACIVSA-N 0 0 306.369 2.107 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CCO)C1 ZINC000807469025 645954372 /nfs/dbraw/zinc/95/43/72/645954372.db2.gz FCLURSAGUWDOBX-QZTJIDSGSA-N 0 0 314.429 2.425 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](O)c1ccco1 ZINC000807467027 645954514 /nfs/dbraw/zinc/95/45/14/645954514.db2.gz JUCAOTILTRLDMU-HZPDHXFCSA-N 0 0 312.369 2.247 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N[C@H]1CCCc2nc(C)sc21 ZINC000807646177 645973767 /nfs/dbraw/zinc/97/37/67/645973767.db2.gz XFUFXURBENCOLB-ZDUSSCGKSA-N 0 0 319.430 2.146 10 30 DEEERN COC(=O)C[C@H](C)C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000151350741 646346054 /nfs/dbraw/zinc/34/60/54/646346054.db2.gz GFOUZFHWRVTBRX-AAEUAGOBSA-N 0 0 307.321 2.250 10 30 DEEERN COc1cccc(C(=O)OCCNc2ncccc2C#N)c1F ZINC000156527973 646428487 /nfs/dbraw/zinc/42/84/87/646428487.db2.gz BEHDAHUEVSRWMN-UHFFFAOYSA-N 0 0 315.304 2.370 10 30 DEEERN C[C@@H](C(=O)[C@H](C#N)C(=O)NCc1ccccc1)C1CCOCC1 ZINC000165475683 646500272 /nfs/dbraw/zinc/50/02/72/646500272.db2.gz FQYLKJLHJABRIE-CJNGLKHVSA-N 0 0 314.385 2.074 10 30 DEEERN C#CCOCCC(=O)O[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000165876575 646510702 /nfs/dbraw/zinc/51/07/02/646510702.db2.gz AWHGESWSXHFYJE-ZDUSSCGKSA-N 0 0 304.342 2.320 10 30 DEEERN C#CCCCOC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000170711009 646659292 /nfs/dbraw/zinc/65/92/92/646659292.db2.gz SYQIJPZQYJTWSD-CQSZACIVSA-N 0 0 305.399 2.238 10 30 DEEERN C#CCCOC(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C ZINC000170717808 646660544 /nfs/dbraw/zinc/66/05/44/646660544.db2.gz LBEPOTKXQZWGOQ-OAHLLOKOSA-N 0 0 303.358 2.016 10 30 DEEERN C#CCCOC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000170717242 646660661 /nfs/dbraw/zinc/66/06/61/646660661.db2.gz ROKBEKWSKAXQHO-LBPRGKRZSA-N 0 0 303.383 2.328 10 30 DEEERN C#CCN(CC#C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000174527271 646813056 /nfs/dbraw/zinc/81/30/56/646813056.db2.gz CWQGFBMNWYGHAV-CYBMUJFWSA-N 0 0 312.196 2.302 10 30 DEEERN N#CCC1(COC(=O)c2ccc(-n3cnnn3)cc2Cl)CC1 ZINC000174740812 647153920 /nfs/dbraw/zinc/15/39/20/647153920.db2.gz IBUWDYSPXRJGLQ-UHFFFAOYSA-N 0 0 317.736 2.166 10 30 DEEERN COc1cccc(NC(=S)N2CCN(C3CC3)[C@@H](C#N)C2)c1 ZINC000732625052 647632803 /nfs/dbraw/zinc/63/28/03/647632803.db2.gz BICJEXDDGLPISA-AWEZNQCLSA-N 0 0 316.430 2.064 10 30 DEEERN C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732648590 647635876 /nfs/dbraw/zinc/63/58/76/647635876.db2.gz WATCGUFRRHGQTQ-GUYCJALGSA-N 0 0 315.392 2.203 10 30 DEEERN CSCc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000732648821 647635884 /nfs/dbraw/zinc/63/58/84/647635884.db2.gz ITXQSJJIWMENHG-INIZCTEOSA-N 0 0 315.442 2.362 10 30 DEEERN N#C[C@H]1CN(C(=O)/C=C\Sc2ccccc2)CCN1C1CC1 ZINC000732652287 647637391 /nfs/dbraw/zinc/63/73/91/647637391.db2.gz UNMGGFDEOPMZMR-QIENPNARSA-N 0 0 313.426 2.491 10 30 DEEERN Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732673956 647639830 /nfs/dbraw/zinc/63/98/30/647639830.db2.gz CQMPZBNLPQJMEG-SJLPKXTDSA-N 0 0 324.428 2.364 10 30 DEEERN Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732673957 647639936 /nfs/dbraw/zinc/63/99/36/647639936.db2.gz CQMPZBNLPQJMEG-WMZOPIPTSA-N 0 0 324.428 2.364 10 30 DEEERN C#CCOc1ccccc1[C@@H](C)OC(=O)C[C@@H]1COC(=O)C1 ZINC000153757742 647648806 /nfs/dbraw/zinc/64/88/06/647648806.db2.gz VGYTYUQLAKDPPX-CHWSQXEVSA-N 0 0 302.326 2.256 10 30 DEEERN C#CC[C@@H](OC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)C1CC1 ZINC000175344591 648344870 /nfs/dbraw/zinc/34/48/70/648344870.db2.gz LACZLSAGDHTSQB-HZPDHXFCSA-N 0 0 318.417 2.259 10 30 DEEERN COc1ccc(C(=O)NCC(=O)OCC#Cc2ccccc2)cc1 ZINC000183217436 649048357 /nfs/dbraw/zinc/04/83/57/649048357.db2.gz NFMIAYMYDCJRIB-UHFFFAOYSA-N 0 0 323.348 2.020 10 30 DEEERN C#CCOCCC(=O)N1CCN(c2ccccc2)C[C@@H]1CC ZINC000183609198 649118506 /nfs/dbraw/zinc/11/85/06/649118506.db2.gz BCILVUOJIYCUDM-INIZCTEOSA-N 0 0 300.402 2.154 10 30 DEEERN C#CCCNC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C ZINC000733247616 649463767 /nfs/dbraw/zinc/46/37/67/649463767.db2.gz VSHZNENNPUNCQT-UHFFFAOYSA-N 0 0 306.728 2.121 10 30 DEEERN CC1(CCNC(=O)c2ccc(C3(C#N)CC3)cc2)OCCO1 ZINC000185520818 649537020 /nfs/dbraw/zinc/53/70/20/649537020.db2.gz AZPMLKGHRIEFTB-UHFFFAOYSA-N 0 0 300.358 2.125 10 30 DEEERN C#CCCNS(=O)(=O)/C=C/c1ccccc1Br ZINC000733322382 649542422 /nfs/dbraw/zinc/54/24/22/649542422.db2.gz TZXRVGSMKVCMMO-CSKARUKUSA-N 0 0 314.204 2.363 10 30 DEEERN C#CCOc1ccccc1[C@@H](C)OC(=O)CCN1CCCC1=O ZINC000107059424 651411228 /nfs/dbraw/zinc/41/12/28/651411228.db2.gz BZUFBRUJDPCIPC-CQSZACIVSA-N 0 0 315.369 2.315 10 30 DEEERN N#Cc1ccc(CCC(=O)OCC(=O)NC2CCCCC2)cc1 ZINC000012954019 683846126 /nfs/dbraw/zinc/84/61/26/683846126.db2.gz WLPQLDZGIBAQLV-UHFFFAOYSA-N 0 0 314.385 2.483 10 30 DEEERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(C#N)cn1C ZINC000080942424 683986101 /nfs/dbraw/zinc/98/61/01/683986101.db2.gz CVPZVIYGBPFMTB-UHFFFAOYSA-N 0 0 301.258 2.033 10 30 DEEERN C=CCC[C@H](C)OC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000089319089 684021902 /nfs/dbraw/zinc/02/19/02/684021902.db2.gz KYJIRRVOCUGGBJ-IIYDPXPESA-N 0 0 322.405 2.385 10 30 DEEERN C=CCC[C@@H](C)OC(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC000089319437 684022225 /nfs/dbraw/zinc/02/22/25/684022225.db2.gz BMMCCUFCAJCZNM-ROKHWSDSSA-N 0 0 317.451 2.382 10 30 DEEERN C#CCOc1ccc(NC(=O)C(=O)NCCC2=CCCC2)cc1 ZINC000123669364 684127780 /nfs/dbraw/zinc/12/77/80/684127780.db2.gz CFUBSBPFPBBZHX-UHFFFAOYSA-N 0 0 312.369 2.254 10 30 DEEERN CCc1ccc(C(=O)CCC(=O)[C@H](C#N)C(=O)NC(C)C)cc1 ZINC000130597947 684190676 /nfs/dbraw/zinc/19/06/76/684190676.db2.gz FDNSOLWXKLIWKJ-HNNXBMFYSA-N 0 0 314.385 2.445 10 30 DEEERN C=CCCO[C@@H](C)C(=O)Nc1cnc(Br)cn1 ZINC000132996427 684215618 /nfs/dbraw/zinc/21/56/18/684215618.db2.gz NCZNFFVGOXDLLP-QMMMGPOBSA-N 0 0 300.156 2.159 10 30 DEEERN N#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000135291987 684234154 /nfs/dbraw/zinc/23/41/54/684234154.db2.gz CSCWARWQJALIDT-YPMHNXCESA-N 0 0 307.325 2.153 10 30 DEEERN C#CCCCC(=O)OC[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000191331376 684426238 /nfs/dbraw/zinc/42/62/38/684426238.db2.gz BEKITBQMBARBLJ-KRWDZBQOSA-N 0 0 313.397 2.424 10 30 DEEERN COc1ccccc1[C@@H](O)CNC(=O)C1(C#N)CCCCC1 ZINC000194585582 685070005 /nfs/dbraw/zinc/07/00/05/685070005.db2.gz PWIHPDNWEVAUAC-AWEZNQCLSA-N 0 0 302.374 2.319 10 30 DEEERN N#CCCCOC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000194856567 685079538 /nfs/dbraw/zinc/07/95/38/685079538.db2.gz MGDRLWXBTXOLSA-ZDUSSCGKSA-N 0 0 306.387 2.129 10 30 DEEERN COc1ccc(CNC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@H]2C2CC2)cc1 ZINC000246126175 685123903 /nfs/dbraw/zinc/12/39/03/685123903.db2.gz LVAPCLYWOGXLEH-ARFHVFGLSA-N 0 0 312.369 2.066 10 30 DEEERN COc1cccc([C@@H]2C[C@@H]2C(=O)[C@H](C#N)C(=O)N2CCCC2)c1 ZINC000246345651 685128215 /nfs/dbraw/zinc/12/82/15/685128215.db2.gz MLZBXESLBHUGAY-JYJNAYRXSA-N 0 0 312.369 2.130 10 30 DEEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1Nc1cc(C#N)nc(C2CC2)n1 ZINC000884584349 691767028 /nfs/dbraw/zinc/76/70/28/691767028.db2.gz CCOGDXNXOIULCN-IUODEOHRSA-N 0 0 313.405 2.331 10 30 DEEERN CC(=O)N1C[C@@H](Nc2ccc(C#N)cn2)CC[C@H]1C(F)(F)F ZINC000886088772 692000688 /nfs/dbraw/zinc/00/06/88/692000688.db2.gz UZKBZCJLOOWBTO-RYUDHWBXSA-N 0 0 312.295 2.307 10 30 DEEERN Cc1cccnc1C=CC(O)=C(C#N)C(=O)NCc1ccccc1 ZINC000588456825 777218517 /nfs/dbraw/zinc/21/85/17/777218517.db2.gz HSGDXOXEJWXMIA-ZBTGYSDGSA-N 0 0 319.364 2.429 10 30 DEEERN C#C[C@H](C)NS(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000588596957 777567857 /nfs/dbraw/zinc/56/78/57/777567857.db2.gz OAUNUEFBSKFLTR-DMEOUFDRSA-N 0 0 314.204 2.361 10 30 DEEERN COc1ccc(CNC(=O)c2nc(C)n3ccccc23)cc1C#N ZINC000746921794 786542137 /nfs/dbraw/zinc/54/21/37/786542137.db2.gz MWMHPIOSOCYCKX-UHFFFAOYSA-N 0 0 320.352 2.453 10 30 DEEERN C=CC[C@H](CO)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715765340 792511221 /nfs/dbraw/zinc/51/12/21/792511221.db2.gz GPNOHEGWUQPIFE-SNVBAGLBSA-N 0 0 304.159 2.320 10 30 DEEERN C=CCO[C@@H]1CCN(CCCS(=O)(=O)c2cccc(C)c2)C1 ZINC000156464489 796730914 /nfs/dbraw/zinc/73/09/14/796730914.db2.gz AEYXGJUMTXHXGS-MRXNPFEDSA-N 0 0 323.458 2.436 10 30 DEEERN C#CC[C@@H](CO)NC(=O)/C=C/c1ccc(C)cc1Br ZINC000717702996 799428451 /nfs/dbraw/zinc/42/84/51/799428451.db2.gz NDJJCKXKBZPGQR-GWJCSSMESA-N 0 0 322.202 2.271 10 30 DEEERN Cc1ccc(C#N)c(NCc2cn(C)nc2Br)n1 ZINC000720673121 1085842529 /nfs/dbraw/zinc/84/25/29/1085842529.db2.gz YBZBFIZIFXVTHX-UHFFFAOYSA-N 0 0 306.167 2.370 10 30 DEEERN Cn1cc(CNCc2ccc(C#N)s2)c(Br)n1 ZINC000720644720 1085809896 /nfs/dbraw/zinc/80/98/96/1085809896.db2.gz DYUUXSVFXQIQEA-UHFFFAOYSA-N 0 0 311.208 2.406 10 30 DEEERN C#C[C@H]1CCCN(C(=O)c2cc(Br)cnc2F)C1 ZINC000700858276 1086338211 /nfs/dbraw/zinc/33/82/11/1086338211.db2.gz NZKJYERXNUUTSG-VIFPVBQESA-N 0 0 311.154 2.469 10 30 DEEERN C#CC1(O)CCN(Cc2cc(OC)ccc2Br)CC1 ZINC000708102500 1086677351 /nfs/dbraw/zinc/67/73/51/1086677351.db2.gz ODZHXVGHXRNVBI-UHFFFAOYSA-N 0 0 324.218 2.418 10 30 DEEERN C#CC1(O)CCN(C(=O)c2ccc(C)cc2Br)CC1 ZINC000708136681 1086677013 /nfs/dbraw/zinc/67/70/13/1086677013.db2.gz JMDMMPSOLJFUAN-UHFFFAOYSA-N 0 0 322.202 2.358 10 30 DEEERN CN(C1(C(F)(F)F)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000720344052 1088355602 /nfs/dbraw/zinc/35/56/02/1088355602.db2.gz FCTVWICYIIIQCX-UHFFFAOYSA-N 0 0 304.293 2.274 10 30 DEEERN C#C[C@@H](CO)NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000718172070 1088397792 /nfs/dbraw/zinc/39/77/92/1088397792.db2.gz HLRSRSWMWUQJRF-ZETCQYMHSA-N 0 0 322.575 2.136 10 30 DEEERN C=C(C)COc1cccc(NC(=O)NCCOCCCO)c1 ZINC000349244417 1138217733 /nfs/dbraw/zinc/21/77/33/1138217733.db2.gz FSKDGDVWIXTQRI-UHFFFAOYSA-N 0 0 308.378 2.162 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)c1nc([C@@H](C)c2cnccn2)no1 ZINC000624738817 365530603 /nfs/dbraw/zinc/53/06/03/365530603.db2.gz NISJKQCHIYSBGY-CMPLNLGQSA-N 0 0 301.350 2.155 10 30 DEEERN C=CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](CCF)C1 ZINC000624817695 365560055 /nfs/dbraw/zinc/56/00/55/365560055.db2.gz NPXGDHLSCRBERY-ZDUSSCGKSA-N 0 0 319.384 2.034 10 30 DEEERN C=CC1CCN(C(=O)NCc2ccc3oc(=O)n(C)c3c2)CC1 ZINC000624847349 365569645 /nfs/dbraw/zinc/56/96/45/365569645.db2.gz KXTDVRYTYNFTCG-UHFFFAOYSA-N 0 0 315.373 2.239 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCc2c(F)ccc(F)c2C1 ZINC000612077023 361739218 /nfs/dbraw/zinc/73/92/18/361739218.db2.gz UFPGPGZFHQHMPR-INIZCTEOSA-N 0 0 322.355 2.320 10 30 DEEERN C=C(C)Cn1c([C@H]2CCO[C@H]2C)nnc1N1CC2(C1)CCCO2 ZINC000624976785 365604129 /nfs/dbraw/zinc/60/41/29/365604129.db2.gz ISGYPRRFKYYESZ-KBPBESRZSA-N 0 0 318.421 2.116 10 30 DEEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CC2(C1)CCCO2 ZINC000624977822 365605184 /nfs/dbraw/zinc/60/51/84/365605184.db2.gz JPRWQMIMOBTQFM-UHFFFAOYSA-N 0 0 300.362 2.483 10 30 DEEERN C=C(C)Cn1c([C@@H]2CCO[C@@H]2C)nnc1N1CC2(C1)CCCO2 ZINC000624976791 365605247 /nfs/dbraw/zinc/60/52/47/365605247.db2.gz ISGYPRRFKYYESZ-ZIAGYGMSSA-N 0 0 318.421 2.116 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000625027237 365621242 /nfs/dbraw/zinc/62/12/42/365621242.db2.gz QMBQGUFZSQPDGE-QLFBSQMISA-N 0 0 303.406 2.032 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1 ZINC000625028597 365622275 /nfs/dbraw/zinc/62/22/75/365622275.db2.gz VNWHCJMRKZGIAK-HIFRSBDPSA-N 0 0 305.422 2.138 10 30 DEEERN C#CCCCCC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000278520868 214209445 /nfs/dbraw/zinc/20/94/45/214209445.db2.gz ZAMZGPMTGFZZRU-OAHLLOKOSA-N 0 0 302.422 2.007 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1COc2ccc(C)cc21 ZINC000612469802 361836898 /nfs/dbraw/zinc/83/68/98/361836898.db2.gz GHKHOQWYSPSFNY-HUUCEWRRSA-N 0 0 302.374 2.016 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(OC)cc1C ZINC000612520825 361849947 /nfs/dbraw/zinc/84/99/47/361849947.db2.gz PPESIJDTSURNTQ-INIZCTEOSA-N 0 0 304.390 2.091 10 30 DEEERN C=CCCCN(C)c1nnc(-c2cnn(C)c2)n1CC1CC1 ZINC000612853023 361931627 /nfs/dbraw/zinc/93/16/27/361931627.db2.gz XPDMATFTPDMLEP-UHFFFAOYSA-N 0 0 300.410 2.491 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCOc1ccccc1Cl ZINC000612855509 361932691 /nfs/dbraw/zinc/93/26/91/361932691.db2.gz DJWFILAHKJMGOR-AWEZNQCLSA-N 0 0 324.808 2.306 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000278690821 214328067 /nfs/dbraw/zinc/32/80/67/214328067.db2.gz HQHWBCPBQTZLQS-HUUCEWRRSA-N 0 0 304.346 2.235 10 30 DEEERN CN(Cc1ccccc1C#CCO)C(=O)[C@]1(C)CCCS1 ZINC000164884792 197666350 /nfs/dbraw/zinc/66/63/50/197666350.db2.gz WZVHGOOHTXRJBJ-KRWDZBQOSA-N 0 0 303.427 2.275 10 30 DEEERN CCCc1nnsc1C(=O)Nc1ccccc1C#CCO ZINC000087456300 185225734 /nfs/dbraw/zinc/22/57/34/185225734.db2.gz KPBYDRNELHWRLW-UHFFFAOYSA-N 0 0 301.371 2.087 10 30 DEEERN Cc1ccc(C#CCO)cc1C(=O)N[C@H](C)c1nccs1 ZINC000087746422 185231210 /nfs/dbraw/zinc/23/12/10/185231210.db2.gz ZMIMTFJAEFZNGM-GFCCVEGCSA-N 0 0 300.383 2.286 10 30 DEEERN CC(C)CCS(=O)(=O)Nc1ccc(C#CCCO)c(F)c1 ZINC000088083345 185239131 /nfs/dbraw/zinc/23/91/31/185239131.db2.gz PWQNXBSULIBMKG-UHFFFAOYSA-N 0 0 313.394 2.347 10 30 DEEERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cccc(C#N)c1 ZINC000088335863 185246357 /nfs/dbraw/zinc/24/63/57/185246357.db2.gz NBGZITUCIOQAKD-ZDUSSCGKSA-N 0 0 310.361 2.369 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(c2cccnc2)CC1 ZINC000613185892 362031412 /nfs/dbraw/zinc/03/14/12/362031412.db2.gz LBCOONYWDDAPMJ-KRWDZBQOSA-N 0 0 315.417 2.259 10 30 DEEERN C=CCN(Cc1cc(C)c(OC)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361193 185313700 /nfs/dbraw/zinc/31/37/00/185313700.db2.gz DCPPPLJGWAKBIN-MRXNPFEDSA-N 0 0 323.458 2.487 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](C)c1nc(C)cs1 ZINC000613482922 362125664 /nfs/dbraw/zinc/12/56/64/362125664.db2.gz XPLGILWMURUFAY-ZWNOBZJWSA-N 0 0 309.435 2.142 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1c(OC)cccc1OC(F)(F)F ZINC000613487738 362126814 /nfs/dbraw/zinc/12/68/14/362126814.db2.gz ZQOMGMFQBDBSJQ-SECBINFHSA-N 0 0 319.279 2.261 10 30 DEEERN CC(=O)[C@H](Cc1ccccc1)NC(=O)CC1(C#N)CCOCC1 ZINC000613557150 362146327 /nfs/dbraw/zinc/14/63/27/362146327.db2.gz ZJVYXJURKHXOMD-INIZCTEOSA-N 0 0 314.385 2.013 10 30 DEEERN N#Cc1ccc(CN2CCN(C(=O)C3CCCCC3)CC2)o1 ZINC000092539539 185324734 /nfs/dbraw/zinc/32/47/34/185324734.db2.gz SRNBYZVXKZTTJV-UHFFFAOYSA-N 0 0 301.390 2.376 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)Cc1csc(CC)n1 ZINC000625440525 365785779 /nfs/dbraw/zinc/78/57/79/365785779.db2.gz RNDSMHPPOWLIHQ-UHFFFAOYSA-N 0 0 323.462 2.382 10 30 DEEERN CN(CC#Cc1ccccc1)CCN1C(=O)c2ccccc2C1=O ZINC000192128987 529823388 /nfs/dbraw/zinc/82/33/88/529823388.db2.gz LAMVURMMGAXAAP-UHFFFAOYSA-N 0 0 318.376 2.266 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cccc(NC(=O)N(C)C)c1C ZINC000279398158 214849253 /nfs/dbraw/zinc/84/92/53/214849253.db2.gz HKDNSJRSCSIVJO-GFCCVEGCSA-N 0 0 320.393 2.147 10 30 DEEERN CCOc1ccc(C#N)cc1NC(=O)COCc1cc(C)no1 ZINC000193493571 282353468 /nfs/dbraw/zinc/35/34/68/282353468.db2.gz TVTGFAOSDUHAHR-UHFFFAOYSA-N 0 0 315.329 2.409 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(CC)Cc1ccccn1 ZINC000625486575 365804404 /nfs/dbraw/zinc/80/44/04/365804404.db2.gz HOBUXVTUAAWSOY-UHFFFAOYSA-N 0 0 303.406 2.149 10 30 DEEERN Cc1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)nc1C#N ZINC000615691103 362682086 /nfs/dbraw/zinc/68/20/86/362682086.db2.gz NBTYOEAHKWNUEL-UHFFFAOYSA-N 0 0 317.396 2.456 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000615708973 362685766 /nfs/dbraw/zinc/68/57/66/362685766.db2.gz TUFUEHGEUYUNNZ-DXWTWGPWSA-N 0 0 302.418 2.128 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC000625663994 365863888 /nfs/dbraw/zinc/86/38/88/365863888.db2.gz XBDHJRFBQRCJTO-OAHLLOKOSA-N 0 0 315.417 2.116 10 30 DEEERN CC(=O)c1ccc2c(c1)CN(C(=O)CC1(C#N)CCOCC1)C2 ZINC000616265767 362811208 /nfs/dbraw/zinc/81/12/08/362811208.db2.gz BOGWDSZZOCFZOV-UHFFFAOYSA-N 0 0 312.369 2.442 10 30 DEEERN C=CCCCN(C)C(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000272639852 210042878 /nfs/dbraw/zinc/04/28/78/210042878.db2.gz LLSKWZWAPPLMJU-UONOGXRCSA-N 0 0 320.414 2.115 10 30 DEEERN CC#CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000121351427 185785121 /nfs/dbraw/zinc/78/51/21/185785121.db2.gz QMOPHCQGHHSUOP-UHFFFAOYSA-N 0 0 319.158 2.044 10 30 DEEERN C=CCSc1ccccc1C(=O)N[C@@H]1CCNC(=O)CC1 ZINC000616356039 362835650 /nfs/dbraw/zinc/83/56/50/362835650.db2.gz AGAZKWAQUVBEGK-LBPRGKRZSA-N 0 0 304.415 2.363 10 30 DEEERN C[C@H]1CSCCN1C(=O)c1cc(C#CCCO)ccc1F ZINC000070224017 190873975 /nfs/dbraw/zinc/87/39/75/190873975.db2.gz QAXWJEJXOPRKRP-LBPRGKRZSA-N 0 0 307.390 2.137 10 30 DEEERN COc1ccc(Br)c(C(=O)N[C@@H](C#N)C2CC2)c1 ZINC000070976089 190928316 /nfs/dbraw/zinc/92/83/16/190928316.db2.gz UHCNYRPEQJEAID-LBPRGKRZSA-N 0 0 309.163 2.490 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1CCOc2ccc(OCC)cc21 ZINC000185897127 539673668 /nfs/dbraw/zinc/67/36/68/539673668.db2.gz APXMYXDENYAMEH-SWLSCSKDSA-N 0 0 320.389 2.145 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCOc2ccc(OCC)cc21 ZINC000185897171 539673844 /nfs/dbraw/zinc/67/38/44/539673844.db2.gz APXMYXDENYAMEH-IUODEOHRSA-N 0 0 320.389 2.145 10 30 DEEERN C=CCN(CCC(=O)OCC)C(=O)c1ccc(OC)c(OC)c1 ZINC000071619466 190994074 /nfs/dbraw/zinc/99/40/74/190994074.db2.gz CDACZVDWPZSEID-UHFFFAOYSA-N 0 0 321.373 2.285 10 30 DEEERN C=CCN(C[C@@H](C)C(=O)OC)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000071638347 190996364 /nfs/dbraw/zinc/99/63/64/190996364.db2.gz LXNMCAUIDCVQEM-LLVKDONJSA-N 0 0 306.318 2.032 10 30 DEEERN COC(CN1C(=O)c2c(cccc2C(F)(F)F)C1C#N)OC ZINC000071681178 191007606 /nfs/dbraw/zinc/00/76/06/191007606.db2.gz KUJAFJKCLNACKF-JTQLQIEISA-N 0 0 314.263 2.345 10 30 DEEERN C[C@H]1SCCN(C(=O)c2ccc(C#CCO)c(F)c2)[C@H]1C ZINC000133638096 186002398 /nfs/dbraw/zinc/00/23/98/186002398.db2.gz OHPZGJUIUNWMFJ-NWDGAFQWSA-N 0 0 307.390 2.136 10 30 DEEERN C[C@@H]1CC[C@@H](C)N(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000147442168 186040324 /nfs/dbraw/zinc/04/03/24/186040324.db2.gz ONVRSUOIHOGPNH-ZIAGYGMSSA-N 0 0 306.431 2.452 10 30 DEEERN CC[C@@H](C#N)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000171004795 197864015 /nfs/dbraw/zinc/86/40/15/197864015.db2.gz PAFSRGJRRTYTKV-HNNXBMFYSA-N 0 0 317.364 2.096 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1ccncc1 ZINC000617042794 363007902 /nfs/dbraw/zinc/00/79/02/363007902.db2.gz VYVCRUOGIDFLQI-ZFWWWQNUSA-N 0 0 301.390 2.063 10 30 DEEERN C=CCSCCNC(=O)NCc1c(C2CCC2)cnn1C ZINC000595493226 358464351 /nfs/dbraw/zinc/46/43/51/358464351.db2.gz PZAJDRIQQZWKGO-UHFFFAOYSA-N 0 0 308.451 2.406 10 30 DEEERN C=C(CSc1nnc(-c2ccc(C)cc2)n1N)C(=O)OCC ZINC000172292861 198072096 /nfs/dbraw/zinc/07/20/96/198072096.db2.gz ODHKNAQVSMDRCG-UHFFFAOYSA-N 0 0 318.402 2.179 10 30 DEEERN C=CCCC1(CNC(=O)CNC(=O)c2cccnc2)CCCC1 ZINC000617417146 363127668 /nfs/dbraw/zinc/12/76/68/363127668.db2.gz NKPWKEOBQPOIAK-UHFFFAOYSA-N 0 0 315.417 2.454 10 30 DEEERN C=CCCC1(CNC(=O)CCn2cnccc2=O)CCCC1 ZINC000617418204 363129029 /nfs/dbraw/zinc/12/90/29/363129029.db2.gz WLOBFOCIDXUJPZ-UHFFFAOYSA-N 0 0 303.406 2.276 10 30 DEEERN O=C(NCCOC1CCCC1)NCc1cn2c(n1)CCCC2 ZINC000328868173 539912002 /nfs/dbraw/zinc/91/20/02/539912002.db2.gz XIFJNMJIAMBVKF-UHFFFAOYSA-N 0 0 306.410 2.182 10 30 DEEERN N#Cc1cc(NC2CCN(C(=O)C3CC3)CC2)nc2ccccc12 ZINC000329637802 539925057 /nfs/dbraw/zinc/92/50/57/539925057.db2.gz YPGKFEYCOJEYEQ-UHFFFAOYSA-N 0 0 320.396 2.919 10 30 DEEERN COc1ccc(C#N)cc1NC(=O)N1CC2(C1)CCCOC2 ZINC000329567183 539922948 /nfs/dbraw/zinc/92/29/48/539922948.db2.gz PBNWIQDMLQAALM-UHFFFAOYSA-N 0 0 301.346 2.225 10 30 DEEERN O=C(Nc1cccc2c1OCCC2=O)N1CC2(C1)CCCOC2 ZINC000329573119 539923088 /nfs/dbraw/zinc/92/30/88/539923088.db2.gz RFUZOYLTKQDKTK-UHFFFAOYSA-N 0 0 316.357 2.310 10 30 DEEERN N#C[C@H](NC(=O)[C@@H]1OC[C@H]2COCC[C@H]21)c1ccccc1Cl ZINC000332919574 539943834 /nfs/dbraw/zinc/94/38/34/539943834.db2.gz CGEJGWYMOHKVOT-HKCMKHECSA-N 0 0 320.776 2.072 10 30 DEEERN C[C@@]12CN(C(=O)Nc3ccn(CCC#N)n3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333811625 539972423 /nfs/dbraw/zinc/97/24/23/539972423.db2.gz IDGAKRSEOCXDOM-OEUWWYETSA-N 0 0 313.405 2.697 10 30 DEEERN CC1CCC2(CC1)NC(=O)N(N=Cc1ccc([N+](=O)[O-])o1)C2=O ZINC000003406374 181015868 /nfs/dbraw/zinc/01/58/68/181015868.db2.gz KYWCDPVLKRQDQV-OVCLIPMQSA-N 0 0 320.305 2.022 10 30 DEEERN C[C@@H](C(=O)OC(C)(C)C)N(C)CC(=O)Nc1sccc1C#N ZINC000176425647 198585108 /nfs/dbraw/zinc/58/51/08/198585108.db2.gz NUEIWYLDJIOKDU-JTQLQIEISA-N 0 0 323.418 2.220 10 30 DEEERN C=CCNC(=O)Cc1noc([C@H]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000346992581 540017868 /nfs/dbraw/zinc/01/78/68/540017868.db2.gz XWFGEVDGRWMGNP-DTWKUNHWSA-N 0 0 303.284 2.360 10 30 DEEERN Cc1ccccc1C(=O)NCC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000045218348 354252119 /nfs/dbraw/zinc/25/21/19/354252119.db2.gz ITGIAOIFIHSHTN-CQSZACIVSA-N 0 0 321.380 2.474 10 30 DEEERN C#Cc1cccc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)c1 ZINC000044577512 354238131 /nfs/dbraw/zinc/23/81/31/354238131.db2.gz HSDVZYFEQXODRO-HNNXBMFYSA-N 0 0 306.369 2.313 10 30 DEEERN C=CC(C)(C)CCNC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000626405433 366176652 /nfs/dbraw/zinc/17/66/52/366176652.db2.gz QIXXGBBULUASQN-UHFFFAOYSA-N 0 0 300.366 2.386 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2cc(C(=O)N(C)C)ccn2)C1 ZINC000626494823 366206248 /nfs/dbraw/zinc/20/62/48/366206248.db2.gz YUILEORUSPXTOJ-LBPRGKRZSA-N 0 0 302.378 2.213 10 30 DEEERN C=CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C ZINC000069545541 354870467 /nfs/dbraw/zinc/87/04/67/354870467.db2.gz HTAWLOBKIFTRGN-MRXNPFEDSA-N 0 0 300.402 2.288 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)COC ZINC000068871049 354837527 /nfs/dbraw/zinc/83/75/27/354837527.db2.gz XXOHRCOHNZYVGK-GFCCVEGCSA-N 0 0 307.350 2.327 10 30 DEEERN C=CCC1(NC(=O)[C@@H](C)Oc2cccc(CO)c2)CCOCC1 ZINC000618248678 363431311 /nfs/dbraw/zinc/43/13/11/363431311.db2.gz QLGCOIKBOKSTBZ-CQSZACIVSA-N 0 0 319.401 2.188 10 30 DEEERN C=CCC1(NC(=O)c2ccnn2CC(F)(F)F)CCOCC1 ZINC000618251859 363431956 /nfs/dbraw/zinc/43/19/56/363431956.db2.gz UCKCRGDVQGNOOP-UHFFFAOYSA-N 0 0 317.311 2.301 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cc(Cl)c(Cl)[nH]2)CCN1C1CC1 ZINC000371622088 283068231 /nfs/dbraw/zinc/06/82/31/283068231.db2.gz NLHXIZMADLKFIL-VIFPVBQESA-N 0 0 313.188 2.134 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H](NC(=O)c1ccccn1)C(C)C ZINC000076490898 355151920 /nfs/dbraw/zinc/15/19/20/355151920.db2.gz VJFHZWVJTKXKKA-HNNXBMFYSA-N 0 0 303.406 2.261 10 30 DEEERN C=CCCCN(C)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000076953335 355175326 /nfs/dbraw/zinc/17/53/26/355175326.db2.gz MMFOAZOBUCDJLW-AWEZNQCLSA-N 0 0 301.390 2.400 10 30 DEEERN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC3CC(C)C3)C2)n1 ZINC000080041569 355343266 /nfs/dbraw/zinc/34/32/66/355343266.db2.gz PORVXMCACROORD-NRAUKZCXSA-N 0 0 312.417 2.393 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(C)C1=O ZINC000412837724 540150852 /nfs/dbraw/zinc/15/08/52/540150852.db2.gz ILLQFRYPGKUMTD-HOTGVXAUSA-N 0 0 300.402 2.158 10 30 DEEERN C=C[C@H](C)NC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000091705132 355605104 /nfs/dbraw/zinc/60/51/04/355605104.db2.gz LHGZTTJAXFUTNT-VZJVUDMVSA-N 0 0 321.808 2.486 10 30 DEEERN C=CCNC(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000092853175 355654047 /nfs/dbraw/zinc/65/40/47/355654047.db2.gz FVHKLLYZHYXKKL-LLVKDONJSA-N 0 0 315.295 2.449 10 30 DEEERN CC(C)COCCNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000077616806 191744200 /nfs/dbraw/zinc/74/42/00/191744200.db2.gz INTWFJPZISMPPO-UHFFFAOYSA-N 0 0 316.810 2.163 10 30 DEEERN CC(C)c1nc2cc(O)ccc2c(=O)n1-c1ccc(C#N)nc1 ZINC000116803630 355775246 /nfs/dbraw/zinc/77/52/46/355775246.db2.gz XRQDVEQYIIODMA-UHFFFAOYSA-N 0 0 306.325 2.481 10 30 DEEERN N#C[C@H]1CN(C(=O)NCc2ccccc2OC2CCC2)CCO1 ZINC000118586926 355780365 /nfs/dbraw/zinc/78/03/65/355780365.db2.gz MIWYGQNCMDJEJC-HNNXBMFYSA-N 0 0 315.373 2.052 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(N(C)C(C)=O)cc1 ZINC000130542358 355843372 /nfs/dbraw/zinc/84/33/72/355843372.db2.gz PKCFMEDATZAQJS-UHFFFAOYSA-N 0 0 317.389 2.032 10 30 DEEERN C=CCCC[C@H](C)NC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000179767380 356032701 /nfs/dbraw/zinc/03/27/01/356032701.db2.gz JPAVHHFONXUJML-ZDUSSCGKSA-N 0 0 304.390 2.286 10 30 DEEERN N#C[C@H](NC(=O)c1cn(-c2cccc(Cl)c2F)nn1)C1CC1 ZINC000179837133 356035182 /nfs/dbraw/zinc/03/51/82/356035182.db2.gz FQMOZXCMNJBQCR-JTQLQIEISA-N 0 0 319.727 2.092 10 30 DEEERN Cc1nn(C)c(C)c1CCCNC(=O)Cc1ccc(C#N)cc1 ZINC000182220757 356115090 /nfs/dbraw/zinc/11/50/90/356115090.db2.gz BMUXHNLBONEVSW-UHFFFAOYSA-N 0 0 310.401 2.200 10 30 DEEERN COC(=O)[C@](C)(NC(=O)c1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000180928507 356066480 /nfs/dbraw/zinc/06/64/80/356066480.db2.gz RJTORHWVWSLHLZ-QGZVFWFLSA-N 0 0 312.369 2.313 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000181101364 356072789 /nfs/dbraw/zinc/07/27/89/356072789.db2.gz KAFIJHNGTWBXFS-HUUCEWRRSA-N 0 0 306.410 2.038 10 30 DEEERN N#C[C@@H]1CCCN1CC(=O)Nc1ccccc1Br ZINC000079808339 191975205 /nfs/dbraw/zinc/97/52/05/191975205.db2.gz BOCRAAFKKQPXMQ-JTQLQIEISA-N 0 0 308.179 2.376 10 30 DEEERN C#CCCC(=O)Nc1ccc(I)cn1 ZINC000236192808 356289495 /nfs/dbraw/zinc/28/94/95/356289495.db2.gz ZLSWJAUVGLETAA-UHFFFAOYSA-N 0 0 300.099 2.038 10 30 DEEERN C#CCCCCNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000177470087 198730857 /nfs/dbraw/zinc/73/08/57/198730857.db2.gz BBTRPBSOQUDGBB-CYBMUJFWSA-N 0 0 322.430 2.254 10 30 DEEERN O=C[C@@H]1CC[C@@H](c2ncc(I)s2)O1 ZINC000306972593 356406496 /nfs/dbraw/zinc/40/64/96/356406496.db2.gz WFHRFBDBYAEOCM-WDSKDSINSA-N 0 0 309.128 2.167 10 30 DEEERN CN(C[C@@H]1CCn2ccnc2C1)C(=O)NC[C@@H]1CCCS1 ZINC000328632438 356464471 /nfs/dbraw/zinc/46/44/71/356464471.db2.gz RVKJCHORBAVOQM-OLZOCXBDSA-N 0 0 308.451 2.187 10 30 DEEERN Cc1cnccc1NC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328641878 356465955 /nfs/dbraw/zinc/46/59/55/356465955.db2.gz YEGNBVTVBCXWNB-JKSUJKDBSA-N 0 0 312.373 2.453 10 30 DEEERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)COc1ccccc1C#N ZINC000081449313 192269089 /nfs/dbraw/zinc/26/90/89/192269089.db2.gz HGQOKCJPZQUNJU-GFCCVEGCSA-N 0 0 318.373 2.126 10 30 DEEERN CCN(CC)c1ccc(CNC(=O)c2cc(C#N)cn2C)cn1 ZINC000081679255 192311801 /nfs/dbraw/zinc/31/18/01/192311801.db2.gz OCDKGPLBOAHWEH-UHFFFAOYSA-N 0 0 311.389 2.068 10 30 DEEERN C=CCOCCCNC(=O)c1cc(F)ccc1-n1cccn1 ZINC000618524398 363515557 /nfs/dbraw/zinc/51/55/57/363515557.db2.gz DCMBOCRWJXLSBJ-UHFFFAOYSA-N 0 0 303.337 2.334 10 30 DEEERN C=CCOCCCNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000618523577 363515587 /nfs/dbraw/zinc/51/55/87/363515587.db2.gz KQBZWHGDGSSWPE-HUUCEWRRSA-N 0 0 317.385 2.270 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(OCC(F)F)nc1 ZINC000618526130 363517093 /nfs/dbraw/zinc/51/70/93/363517093.db2.gz MAEROORLYQLEBV-UHFFFAOYSA-N 0 0 300.305 2.048 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)c2nccc3ccsc32)C1=O ZINC000626849478 366344777 /nfs/dbraw/zinc/34/47/77/366344777.db2.gz YLQBFDRQADYYQB-LBPRGKRZSA-N 0 0 315.398 2.155 10 30 DEEERN N#CCC1(CNC(=O)c2nscc2Br)CC1 ZINC000404769186 356734054 /nfs/dbraw/zinc/73/40/54/356734054.db2.gz OSKNXRXKYVABIO-UHFFFAOYSA-N 0 0 300.181 2.329 10 30 DEEERN N#CCc1ccc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000533906059 356745139 /nfs/dbraw/zinc/74/51/39/356745139.db2.gz DLLDBYGNRAAHBJ-CYBMUJFWSA-N 0 0 311.307 2.119 10 30 DEEERN COC(=O)[C@@H](c1ccccc1)N(C)C(=O)Cc1cccc(C#N)c1 ZINC000578344573 356802191 /nfs/dbraw/zinc/80/21/91/356802191.db2.gz RSLSYHUQUZWGIX-GOSISDBHSA-N 0 0 322.364 2.473 10 30 DEEERN CC(C)c1ccc2ncc(C#N)c(N[C@H]3CC(=O)N(C)C3)c2c1 ZINC000618678221 363570341 /nfs/dbraw/zinc/57/03/41/363570341.db2.gz GDXOJYJTEZWLPO-AWEZNQCLSA-N 0 0 308.385 2.294 10 30 DEEERN C=CCC1(C(=O)N[C@@H](CO)Cc2ccccc2C)CCOCC1 ZINC000580776360 357079596 /nfs/dbraw/zinc/07/95/96/357079596.db2.gz QIIMGVYWECJKGM-QGZVFWFLSA-N 0 0 317.429 2.388 10 30 DEEERN C=CCC1(C(=O)N[C@H](CO)Cc2ccccc2C)CCOCC1 ZINC000580776355 357080058 /nfs/dbraw/zinc/08/00/58/357080058.db2.gz QIIMGVYWECJKGM-KRWDZBQOSA-N 0 0 317.429 2.388 10 30 DEEERN C=CCn1c(N2CCO[C@H](CCC)C2)nnc1[C@]1(C)CCCO1 ZINC000581054054 357122551 /nfs/dbraw/zinc/12/25/51/357122551.db2.gz HCXUVKYJSGQDNB-PBHICJAKSA-N 0 0 320.437 2.495 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1COc2ccccc21 ZINC000581366344 357175310 /nfs/dbraw/zinc/17/53/10/357175310.db2.gz SAXRECXDENWGTR-YDHLFZDLSA-N 0 0 302.374 2.053 10 30 DEEERN C=C(C)Cn1c(N2CCCO[C@@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000581411367 357182460 /nfs/dbraw/zinc/18/24/60/357182460.db2.gz AWJJBLMNQXSVGB-YOEHRIQHSA-N 0 0 320.437 2.495 10 30 DEEERN CC[C@]1(C2CC2)NC(=O)N(Cc2ccc(F)c(C#N)c2)C1=O ZINC000581831776 357252577 /nfs/dbraw/zinc/25/25/77/357252577.db2.gz DTMHDWYIDYRIMF-MRXNPFEDSA-N 0 0 301.321 2.308 10 30 DEEERN CN(C(=O)C(=O)NCc1ccc(C#N)cc1F)C1CCCCC1 ZINC000586859521 357377999 /nfs/dbraw/zinc/37/79/99/357377999.db2.gz AAWSPRRIZVCPAH-UHFFFAOYSA-N 0 0 317.364 2.105 10 30 DEEERN CC(C)C(NC(=O)C(=O)NCc1ccc(C#N)cc1F)C(C)C ZINC000586864007 357377697 /nfs/dbraw/zinc/37/76/97/357377697.db2.gz HRTVQNQLISTWNC-UHFFFAOYSA-N 0 0 319.380 2.110 10 30 DEEERN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)ccn1 ZINC000588731041 357420689 /nfs/dbraw/zinc/42/06/89/357420689.db2.gz MOXJFJPCUUFSAB-CABCVRRESA-N 0 0 319.368 2.147 10 30 DEEERN N#C[C@]1(NC(=O)c2ncsc2Br)CCSC1 ZINC000588945130 357436427 /nfs/dbraw/zinc/43/64/27/357436427.db2.gz XFQFFMSLOFMPNU-SECBINFHSA-N 0 0 318.221 2.035 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000590874465 357632487 /nfs/dbraw/zinc/63/24/87/357632487.db2.gz RQSQDPHAKSNDJG-KGLIPLIRSA-N 0 0 307.321 2.076 10 30 DEEERN CC(C)[C@@H](O)CC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000178899496 198950004 /nfs/dbraw/zinc/95/00/04/198950004.db2.gz YCMMAOMTMPESDP-KRWDZBQOSA-N 0 0 315.417 2.004 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)CC#N ZINC000591650966 357747913 /nfs/dbraw/zinc/74/79/13/357747913.db2.gz JGUHLFJBNOEELA-KBPBESRZSA-N 0 0 303.410 2.487 10 30 DEEERN C=CCC1(C(=O)Nc2cccc(CC(=O)OC)n2)CCOCC1 ZINC000591779402 357759344 /nfs/dbraw/zinc/75/93/44/357759344.db2.gz SKTXQNQYPOWODZ-UHFFFAOYSA-N 0 0 318.373 2.109 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(C)(C)C(=O)OC(C)(C)C ZINC000592629085 357915943 /nfs/dbraw/zinc/91/59/43/357915943.db2.gz WPUGVTYFQUTADL-CHWSQXEVSA-N 0 0 311.422 2.452 10 30 DEEERN C=CCCn1cc(C[S@](=O)Cc2cc(OC)cc(C)n2)nn1 ZINC000593937714 358175098 /nfs/dbraw/zinc/17/50/98/358175098.db2.gz XPYCYTBYZWPGFF-JOCHJYFZSA-N 0 0 320.418 2.015 10 30 DEEERN C=CCCn1cc(CSCc2cn(CCC=C)nn2)nn1 ZINC000594565411 358295131 /nfs/dbraw/zinc/29/51/31/358295131.db2.gz HRJXUMWVDUEHQG-UHFFFAOYSA-N 0 0 304.423 2.455 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)N(CC)C[C@H](C)C#N ZINC000594788385 358337499 /nfs/dbraw/zinc/33/74/99/358337499.db2.gz BEOBSODNUNTQJB-KFWWJZLASA-N 0 0 313.467 2.437 10 30 DEEERN C=CCCSCCNS(=O)(=O)Cc1cccc(OC)c1 ZINC000594815126 358342658 /nfs/dbraw/zinc/34/26/58/358342658.db2.gz KYHYWCIKDOAJEP-UHFFFAOYSA-N 0 0 315.460 2.424 10 30 DEEERN C=CCCCN(C)C(=O)c1cnc2sc(C)c(C)n2c1=O ZINC000180927233 199229083 /nfs/dbraw/zinc/22/90/83/199229083.db2.gz GGXPEYXOCDJBGH-UHFFFAOYSA-N 0 0 305.403 2.411 10 30 DEEERN CC(=O)N1CCC[C@H](CNc2cc(C)c([N+](=O)[O-])c(C#N)c2)C1 ZINC000596226872 358646033 /nfs/dbraw/zinc/64/60/33/358646033.db2.gz ZHRJISBUGHQPLV-CYBMUJFWSA-N 0 0 316.361 2.445 10 30 DEEERN C=CCN(C(=O)NCCOc1ccc(C#N)cc1)[C@H](C)COC ZINC000596410916 358681688 /nfs/dbraw/zinc/68/16/88/358681688.db2.gz VBFJYAREPCTZST-CQSZACIVSA-N 0 0 317.389 2.170 10 30 DEEERN C[C@H]1CN(c2ncc(Br)cc2C#N)C[C@H](C)C1O ZINC000596468257 358693198 /nfs/dbraw/zinc/69/31/98/358693198.db2.gz DBBKSMCOGIJWNL-IUCAKERBSA-N 0 0 310.195 2.169 10 30 DEEERN C=CCN(C(=O)NCc1ccc(C#N)c(OC)c1)[C@@H](C)COC ZINC000596605160 358723979 /nfs/dbraw/zinc/72/39/79/358723979.db2.gz PBBWSVNBTUOKNQ-ZDUSSCGKSA-N 0 0 317.389 2.299 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C(=O)OC)ccc1F ZINC000596696988 358742695 /nfs/dbraw/zinc/74/26/95/358742695.db2.gz ILPDOVVSAPPRED-CQSZACIVSA-N 0 0 322.336 2.022 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC000596975238 358797531 /nfs/dbraw/zinc/79/75/31/358797531.db2.gz ZBWRSCCHWMVFJB-SJORKVTESA-N 0 0 314.385 2.124 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C1(C(=O)OC)CC2(CCC2)C1 ZINC000597608177 358962125 /nfs/dbraw/zinc/96/21/25/358962125.db2.gz ACGQHYAHZZWTPQ-ZIAGYGMSSA-N 0 0 321.417 2.207 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](SC)C(C)(C)C ZINC000597493727 358932817 /nfs/dbraw/zinc/93/28/17/358932817.db2.gz DEYSZILGYGWGLN-OLZOCXBDSA-N 0 0 300.468 2.351 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000597863902 359027589 /nfs/dbraw/zinc/02/75/89/359027589.db2.gz IQKPQMGINDGENT-STQMWFEESA-N 0 0 306.366 2.351 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000597863901 359027938 /nfs/dbraw/zinc/02/79/38/359027938.db2.gz IQKPQMGINDGENT-QWHCGFSZSA-N 0 0 306.366 2.351 10 30 DEEERN C=C[C@H](O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000597823678 359016445 /nfs/dbraw/zinc/01/64/45/359016445.db2.gz OXMRWOCHWMDOCR-RVMXOQNASA-N 0 0 311.422 2.042 10 30 DEEERN C=C[C@H](O)C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000598202550 359121594 /nfs/dbraw/zinc/12/15/94/359121594.db2.gz JRZCVRFRYBBAKK-HIFRSBDPSA-N 0 0 317.385 2.396 10 30 DEEERN C=CCOCC(=O)NC[C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000598117758 359100924 /nfs/dbraw/zinc/10/09/24/359100924.db2.gz XPGUACJYLVMWTF-HNNXBMFYSA-N 0 0 317.385 2.212 10 30 DEEERN C=CCOCCCNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000598208793 359122749 /nfs/dbraw/zinc/12/27/49/359122749.db2.gz PILJKJODZZFVLP-UHFFFAOYSA-N 0 0 310.375 2.396 10 30 DEEERN C=CCN(C(=O)c1ccc(C(=O)OC)c(F)c1)[C@@H](C)COC ZINC000597952618 359051681 /nfs/dbraw/zinc/05/16/81/359051681.db2.gz UTICZTBTTFKWKB-NSHDSACASA-N 0 0 309.337 2.275 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1cc(-c2ccccc2)on1 ZINC000185921702 199904485 /nfs/dbraw/zinc/90/44/85/199904485.db2.gz GQXLEKLLWWKXMP-CYBMUJFWSA-N 0 0 301.346 2.078 10 30 DEEERN C=CCSCCNC(=O)NCc1c(C(F)(F)F)cnn1C ZINC000598979076 359374569 /nfs/dbraw/zinc/37/45/69/359374569.db2.gz VECMJDYSKCGMLC-UHFFFAOYSA-N 0 0 322.356 2.157 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000598802925 359330172 /nfs/dbraw/zinc/33/01/72/359330172.db2.gz JVSOSRQBIDWLHS-ZDUSSCGKSA-N 0 0 305.334 2.313 10 30 DEEERN CC[C@H](C#N)N1CCN(Cc2c(Cl)c(C)nn2CC)CC1 ZINC000089278578 192757601 /nfs/dbraw/zinc/75/76/01/192757601.db2.gz WDZXICGFFJASQC-CYBMUJFWSA-N 0 0 309.845 2.285 10 30 DEEERN CN1CCOC[C@H]1CNc1cccc(Br)c1C#N ZINC000599159342 359418657 /nfs/dbraw/zinc/41/86/57/359418657.db2.gz AOVZQDDRNJMWMV-SNVBAGLBSA-N 0 0 310.195 2.063 10 30 DEEERN C=CCCCS(=O)(=O)N[C@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000599410564 359491349 /nfs/dbraw/zinc/49/13/49/359491349.db2.gz BOKONJGVZJWSPW-OAHLLOKOSA-N 0 0 317.451 2.384 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2cnn(C(C)(C)C(=O)OC)c2)C1 ZINC000599799964 359599832 /nfs/dbraw/zinc/59/98/32/359599832.db2.gz DBRXWNAIQFDUHM-LBPRGKRZSA-N 0 0 320.393 2.221 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000599994867 359631184 /nfs/dbraw/zinc/63/11/84/359631184.db2.gz MKWVCFQFMLCOCT-QFIPXVFZSA-N 0 0 322.430 2.081 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)Cc1nccnc1OC ZINC000449321410 240357319 /nfs/dbraw/zinc/35/73/19/240357319.db2.gz LZAFYFYLULCQMR-UHFFFAOYSA-N 0 0 303.362 2.149 10 30 DEEERN Cc1nsc(NC(=O)C2CCN(C(=O)C(C)C)CC2)c1C#N ZINC000281078651 216063627 /nfs/dbraw/zinc/06/36/27/216063627.db2.gz CHVBBYHLONXNBV-UHFFFAOYSA-N 0 0 320.418 2.156 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1nc(C(F)(F)F)co1 ZINC000627686158 366592001 /nfs/dbraw/zinc/59/20/01/366592001.db2.gz WFFKMHDTLZGNNF-UHFFFAOYSA-N 0 0 319.283 2.350 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cc(OC)ccc1OC ZINC000627687864 366592738 /nfs/dbraw/zinc/59/27/38/366592738.db2.gz CMKFFMSBWDXCIL-UHFFFAOYSA-N 0 0 320.389 2.361 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2nccn2-c2ccccc2)C1 ZINC000627732708 366603329 /nfs/dbraw/zinc/60/33/29/366603329.db2.gz AVZIAEFYBFSMNA-CQSZACIVSA-N 0 0 324.384 2.235 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N(C)C)cc2C)C1 ZINC000627734779 366604800 /nfs/dbraw/zinc/60/48/00/366604800.db2.gz BZUKOZLFHUESIY-CQSZACIVSA-N 0 0 315.417 2.424 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)COC3)C1 ZINC000627734610 366604829 /nfs/dbraw/zinc/60/48/29/366604829.db2.gz XXIDWVXMOUZMGC-LBPRGKRZSA-N 0 0 300.358 2.080 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2COC)C1 ZINC000627736461 366606917 /nfs/dbraw/zinc/60/69/17/366606917.db2.gz YRZHYIFBWFPGDG-CYBMUJFWSA-N 0 0 302.374 2.196 10 30 DEEERN C=C(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OC ZINC000601502184 360055585 /nfs/dbraw/zinc/05/55/85/360055585.db2.gz MNIMXAHWRJQKGL-LBPRGKRZSA-N 0 0 317.794 2.126 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCCOc1ccccc1)C(=O)OC ZINC000601771900 360140368 /nfs/dbraw/zinc/14/03/68/360140368.db2.gz MLDUJYMQURJWQY-HNNXBMFYSA-N 0 0 305.374 2.470 10 30 DEEERN C=C(C)C[C@@H](NC(=O)COc1ccc(CC)cc1)C(=O)OC ZINC000601770187 360140457 /nfs/dbraw/zinc/14/04/57/360140457.db2.gz AYOBXCFQZVGPNS-OAHLLOKOSA-N 0 0 305.374 2.252 10 30 DEEERN C=C(C)C[C@H](NC(=O)COc1ccc(OCC)cc1)C(=O)OC ZINC000601770143 360140502 /nfs/dbraw/zinc/14/05/02/360140502.db2.gz AKPQINLTJSFDMQ-HNNXBMFYSA-N 0 0 321.373 2.088 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cc1cc(F)c(F)cc1F)C(=O)OC ZINC000601781311 360145659 /nfs/dbraw/zinc/14/56/59/360145659.db2.gz HZCJQWSSTABCPH-CYBMUJFWSA-N 0 0 315.291 2.270 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccn(C2CCCC2)n1)C(=O)OC ZINC000601782977 360146658 /nfs/dbraw/zinc/14/66/58/360146658.db2.gz UATARHVMHOYWNL-AWEZNQCLSA-N 0 0 305.378 2.236 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccn(C(CC)CC)n1)C(=O)OC ZINC000601782603 360146793 /nfs/dbraw/zinc/14/67/93/360146793.db2.gz RADOVWZNZNDCFQ-AWEZNQCLSA-N 0 0 307.394 2.482 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cnn(CCCC)c1C)C(=O)OC ZINC000601783580 360147740 /nfs/dbraw/zinc/14/77/40/360147740.db2.gz XUEHOZPOGNYRKD-AWEZNQCLSA-N 0 0 307.394 2.229 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cn1ccc2ccc(F)cc21)C(=O)OC ZINC000601785715 360148593 /nfs/dbraw/zinc/14/85/93/360148593.db2.gz TXRWTGBGHOGYIB-CQSZACIVSA-N 0 0 318.348 2.404 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1csc([C@@H]2CCCO2)n1)C(=O)OC ZINC000601787224 360149456 /nfs/dbraw/zinc/14/94/56/360149456.db2.gz KVBTYDQHZBVFRQ-PWSUYJOCSA-N 0 0 324.402 2.232 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(NC(C)=O)ccc1F)C(=O)OC ZINC000601786165 360149688 /nfs/dbraw/zinc/14/96/88/360149688.db2.gz PMLAGKVYVVLTSX-CQSZACIVSA-N 0 0 322.336 2.022 10 30 DEEERN Cc1oc(C#N)cc1C(=O)NC1(C(F)(F)F)CCOCC1 ZINC000439087502 237896006 /nfs/dbraw/zinc/89/60/06/237896006.db2.gz RCQHRBSANGKWGW-UHFFFAOYSA-N 0 0 302.252 2.301 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000619177046 363726072 /nfs/dbraw/zinc/72/60/72/363726072.db2.gz AUHJFGXBZKSCKJ-ULQDDVLXSA-N 0 0 322.449 2.265 10 30 DEEERN C=C(C)C[C@@H](NCc1nccn1CC(F)(F)F)C(=O)OC ZINC000602735587 360526833 /nfs/dbraw/zinc/52/68/33/360526833.db2.gz XYLCSLUHGZSZGP-SNVBAGLBSA-N 0 0 305.300 2.043 10 30 DEEERN C=CCN1CC[C@H](N2[C@H](C)CCC[C@@H]2C(=O)OC(C)(C)C)C1=O ZINC000602851885 360590331 /nfs/dbraw/zinc/59/03/31/360590331.db2.gz ZXRHWSGYEXVHBU-QLFBSQMISA-N 0 0 322.449 2.358 10 30 DEEERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCC2CCC(C#N)CC2)C1 ZINC000443220263 238108616 /nfs/dbraw/zinc/10/86/16/238108616.db2.gz FGALNIKSZOFQKG-LMRVLLHPSA-N 0 0 313.467 2.129 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1c(C(=O)OC)cnn1C ZINC000603017254 360669390 /nfs/dbraw/zinc/66/93/90/360669390.db2.gz JZKXLLYXVAHKCD-YPMHNXCESA-N 0 0 320.393 2.463 10 30 DEEERN Cc1cc(S(=O)(=O)NCCc2ccccc2O)ccc1C#N ZINC000443898475 238127816 /nfs/dbraw/zinc/12/78/16/238127816.db2.gz JFZDBTYZMJFNSG-UHFFFAOYSA-N 0 0 316.382 2.093 10 30 DEEERN Cc1ccnc(NC(=O)CN(C)C(=O)c2sccc2C#N)c1 ZINC000609045198 361277634 /nfs/dbraw/zinc/27/76/34/361277634.db2.gz WVOBVNKKRGHKNZ-UHFFFAOYSA-N 0 0 314.370 2.034 10 30 DEEERN N#Cc1ccc(CNC(=O)c2cn(-c3ccccc3)nn2)c(F)c1 ZINC000609229029 361290871 /nfs/dbraw/zinc/29/08/71/361290871.db2.gz NVEDRQUZAXPYCC-UHFFFAOYSA-N 0 0 321.315 2.208 10 30 DEEERN CC[C@@H]1CO[C@H](C)CN1C(=O)NCc1ccc(C#N)cc1F ZINC000609253719 361291614 /nfs/dbraw/zinc/29/16/14/361291614.db2.gz IVMIUDCJNRPBNG-BXUZGUMPSA-N 0 0 305.353 2.406 10 30 DEEERN N#Cc1cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)ccn1 ZINC000193577402 201078175 /nfs/dbraw/zinc/07/81/75/201078175.db2.gz ZFLSRBUUSPRVBB-UHFFFAOYSA-N 0 0 324.359 2.050 10 30 DEEERN N#Cc1cc(C(=O)N2CCO[C@H](Cc3ccccc3)C2)ccn1 ZINC000193764249 201120138 /nfs/dbraw/zinc/12/01/38/201120138.db2.gz NGMRFCZBYUPIJI-QGZVFWFLSA-N 0 0 307.353 2.037 10 30 DEEERN COc1cc(C(=O)NCc2ccc(C#N)cc2F)ccc1O ZINC000610681048 361443558 /nfs/dbraw/zinc/44/35/58/361443558.db2.gz FKZAHRQCOGHOOB-UHFFFAOYSA-N 0 0 300.289 2.342 10 30 DEEERN N#Cc1cccc(CC(=O)N(CCO)CCc2ccccc2)c1 ZINC000610527855 361416801 /nfs/dbraw/zinc/41/68/01/361416801.db2.gz RYPPLLBTRSVJFS-UHFFFAOYSA-N 0 0 308.381 2.164 10 30 DEEERN N#Cc1ccc(CNC(=O)Cc2csc3nccn23)c(F)c1 ZINC000610805719 361470264 /nfs/dbraw/zinc/47/02/64/361470264.db2.gz GSHKJVYHAZVNOP-UHFFFAOYSA-N 0 0 314.345 2.265 10 30 DEEERN C=CCOCCNc1c(C(=O)OCC)cnc2ccccc21 ZINC000611541486 361626162 /nfs/dbraw/zinc/62/61/62/361626162.db2.gz IZVPNNATZQOVSD-UHFFFAOYSA-N 0 0 300.358 2.448 10 30 DEEERN C=CCOCCNC(=O)c1ccccc1S[C@H](C)C(=O)OC ZINC000611547749 361628863 /nfs/dbraw/zinc/62/88/63/361628863.db2.gz SBEMBDVTCMIZHJ-GFCCVEGCSA-N 0 0 323.414 2.273 10 30 DEEERN Cc1nn(C)c2ncc(NC(=O)N3CCC(C)(C#N)CC3)cc12 ZINC000611556322 361630298 /nfs/dbraw/zinc/63/02/98/361630298.db2.gz NOWKKOCQCQAJRW-UHFFFAOYSA-N 0 0 312.377 2.434 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc2cc(F)ccc2n1C ZINC000611629570 361649273 /nfs/dbraw/zinc/64/92/73/361649273.db2.gz RUIMXQUTBAUUSR-ZDUSSCGKSA-N 0 0 318.352 2.122 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCC1(O)CCC1 ZINC000611992353 361720661 /nfs/dbraw/zinc/72/06/61/361720661.db2.gz UNTDMQSIXIGOHV-CABCVRRESA-N 0 0 322.449 2.049 10 30 DEEERN CCC[C@H]1C(=O)NCCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000619697224 363857553 /nfs/dbraw/zinc/85/75/53/363857553.db2.gz GJICGFLICPCUDC-NSHDSACASA-N 0 0 312.295 2.077 10 30 DEEERN CC(C)n1ncc2cc(NC(=O)[C@H](C)n3cnc(C#N)n3)ccc21 ZINC000619593147 363836258 /nfs/dbraw/zinc/83/62/58/363836258.db2.gz SONXCHVJSFBLRQ-NSHDSACASA-N 0 0 323.360 2.280 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1ccccc1)[C@@H](O)C(C)C ZINC000619916701 363907738 /nfs/dbraw/zinc/90/77/38/363907738.db2.gz KDNPBPACCTXTOV-TWMKSMIVSA-N 0 0 303.402 2.452 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000620314550 364013780 /nfs/dbraw/zinc/01/37/80/364013780.db2.gz KSDFACVWCMUASJ-HRCADAONSA-N 0 0 302.418 2.345 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)OCC ZINC000620415789 364041349 /nfs/dbraw/zinc/04/13/49/364041349.db2.gz HRNSKAKOBRDNFJ-GJZGRUSLSA-N 0 0 310.438 2.121 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CNC(=O)CCc2ccc(C)cc2)C1 ZINC000628486571 366864020 /nfs/dbraw/zinc/86/40/20/366864020.db2.gz LJWPKAALHDZBQV-KRWDZBQOSA-N 0 0 314.429 2.468 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)NCCCc2ccccc2)C1 ZINC000628487477 366865016 /nfs/dbraw/zinc/86/50/16/366865016.db2.gz GIDYEVJRYZCZGT-MRXNPFEDSA-N 0 0 300.402 2.160 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CCc2cccc(C(=O)NC)c2)C1 ZINC000628489530 366865172 /nfs/dbraw/zinc/86/51/72/366865172.db2.gz YMVZCPJWPDVZEJ-OAHLLOKOSA-N 0 0 300.402 2.403 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cccc3c2O[C@@H](C)C(=O)N3)C1 ZINC000628487380 366865258 /nfs/dbraw/zinc/86/52/58/366865258.db2.gz DMZDWPBABBMBDT-RYUDHWBXSA-N 0 0 300.358 2.444 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cccc3c2O[C@H](C)C(=O)N3)C1 ZINC000628487378 366865517 /nfs/dbraw/zinc/86/55/17/366865517.db2.gz DMZDWPBABBMBDT-NEPJUHHUSA-N 0 0 300.358 2.444 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Cc2cccc(S(=O)(=O)CC)c2)C1 ZINC000628490518 366865545 /nfs/dbraw/zinc/86/55/45/366865545.db2.gz AGALKEZTYJAVKA-CQSZACIVSA-N 0 0 321.442 2.447 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cnc3c(cnn3C)c2OC)C1 ZINC000628491367 366865562 /nfs/dbraw/zinc/86/55/62/366865562.db2.gz XFJMLVCDLISDIO-NSHDSACASA-N 0 0 300.362 2.015 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C2CN(C(=O)C3CCCCC3)C2)C1 ZINC000628493845 366866628 /nfs/dbraw/zinc/86/66/28/366866628.db2.gz XYXUILZYMACETG-CQSZACIVSA-N 0 0 304.434 2.450 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C#N)cc1C(C)=O ZINC000622881284 364819631 /nfs/dbraw/zinc/81/96/31/364819631.db2.gz WPLKXKWEYBTCGE-MRXNPFEDSA-N 0 0 313.357 2.170 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCCc2ccc(OC)cc21 ZINC000622970795 364846052 /nfs/dbraw/zinc/84/60/52/364846052.db2.gz SSRQNZLPUDQNJW-INIZCTEOSA-N 0 0 316.401 2.445 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2ccc(OCCOC)nc2)C1 ZINC000623428930 365028148 /nfs/dbraw/zinc/02/81/48/365028148.db2.gz FPMBSFBHQWTTNM-AWEZNQCLSA-N 0 0 319.405 2.214 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)C1 ZINC000623771899 365169510 /nfs/dbraw/zinc/16/95/10/365169510.db2.gz JBLWOHBWKGWDFB-IXDOHACOSA-N 0 0 321.465 2.237 10 30 DEEERN C=CCC[C@H](NC(=O)NC[C@H]1COCCN1C)c1ccccc1 ZINC000623785673 365175054 /nfs/dbraw/zinc/17/50/54/365175054.db2.gz CEAGXPRGQNAMJK-IRXDYDNUSA-N 0 0 317.433 2.324 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000623720986 365146798 /nfs/dbraw/zinc/14/67/98/365146798.db2.gz DIPSBVHLOJGAND-NEPJUHHUSA-N 0 0 305.344 2.231 10 30 DEEERN CCC[C@@H](C#N)N1CCN(C(=O)c2ccncc2Cl)CC1 ZINC000091449868 193057466 /nfs/dbraw/zinc/05/74/66/193057466.db2.gz ZYCAPULEIYVXCV-LBPRGKRZSA-N 0 0 306.797 2.185 10 30 DEEERN O=C(NCc1cccc(Cl)c1)c1ccncc1C#CCO ZINC000091459221 193058276 /nfs/dbraw/zinc/05/82/76/193058276.db2.gz QZYNKRKNLSVKJY-UHFFFAOYSA-N 0 0 300.745 2.009 10 30 DEEERN Cc1nc(NC(=O)c2ccncc2C#CCCO)sc1C ZINC000091458506 193058526 /nfs/dbraw/zinc/05/85/26/193058526.db2.gz ZNHPQIYRHHCTQU-UHFFFAOYSA-N 0 0 301.371 2.141 10 30 DEEERN C=CC[C@H](CC)NC(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC000623991060 365246722 /nfs/dbraw/zinc/24/67/22/365246722.db2.gz WZXJRWOOBPQSGH-LBPRGKRZSA-N 0 0 303.362 2.285 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000624163601 365314277 /nfs/dbraw/zinc/31/42/77/365314277.db2.gz GHPYEXQFEVCTKC-WISYIIOYSA-N 0 0 322.327 2.081 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@@H](c3ccnn3C)C2)C1 ZINC000624167971 365315543 /nfs/dbraw/zinc/31/55/43/365315543.db2.gz SUIUQQUOWBQPID-IIAWOOMASA-N 0 0 318.421 2.248 10 30 DEEERN N#CC1([C@H](O)c2cc(Cl)c3c(c2)OCCO3)CCOCC1 ZINC000091880923 193121909 /nfs/dbraw/zinc/12/19/09/193121909.db2.gz SRBYSDTWQAFERP-CQSZACIVSA-N 0 0 309.749 2.465 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1C[C@@H](C)S(=O)(=O)[C@H](CC)C1 ZINC000624462742 365430077 /nfs/dbraw/zinc/43/00/77/365430077.db2.gz BSUOLJKISXYQLI-CHWSQXEVSA-N 0 0 316.467 2.196 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC[C@H](CS(C)(=O)=O)C1 ZINC000624463038 365430106 /nfs/dbraw/zinc/43/01/06/365430106.db2.gz OUFSGZILAOJTMH-ZDUSSCGKSA-N 0 0 316.467 2.055 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC(C)(C)c1ccc(C)cn1 ZINC000628716481 366940599 /nfs/dbraw/zinc/94/05/99/366940599.db2.gz ORIPCPNAQCFJJA-HNNXBMFYSA-N 0 0 317.433 2.255 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000449878115 241198328 /nfs/dbraw/zinc/19/83/28/241198328.db2.gz WHLJEKRYSBDNHY-GXFFZTMASA-N 0 0 301.296 2.461 10 30 DEEERN C=CCC[C@@H](C(=O)NC[C@H]1COCCN1C)c1ccccc1 ZINC000628915906 367011740 /nfs/dbraw/zinc/01/17/40/367011740.db2.gz VOYRUJGJQNXZLH-DLBZAZTESA-N 0 0 302.418 2.183 10 30 DEEERN C=CCn1c(SCc2cncc(OC)n2)nnc1C1CC1 ZINC000629096106 367078378 /nfs/dbraw/zinc/07/83/78/367078378.db2.gz ZXSYTMMKPQFFCP-UHFFFAOYSA-N 0 0 303.391 2.432 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000629125993 367089202 /nfs/dbraw/zinc/08/92/02/367089202.db2.gz ZPCXPKCJHKXLKP-RDJZCZTQSA-N 0 0 301.386 2.478 10 30 DEEERN C=C1CC(C)(C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)C1 ZINC000630747450 367827062 /nfs/dbraw/zinc/82/70/62/367827062.db2.gz RIJBGRSWNUISGP-CQSZACIVSA-N 0 0 315.417 2.279 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O ZINC000630962489 367937746 /nfs/dbraw/zinc/93/77/46/367937746.db2.gz CCZIQKAKJBXKLV-GFCCVEGCSA-N 0 0 304.346 2.090 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2c(C)cc(C)nc2OC)C1=O ZINC000630968216 367941784 /nfs/dbraw/zinc/94/17/84/367941784.db2.gz CABOZAJBDFEQAX-CYBMUJFWSA-N 0 0 303.362 2.094 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2nnc(C(C)(C)C)s2)C1=O ZINC000630978191 367947548 /nfs/dbraw/zinc/94/75/48/367947548.db2.gz KMSUFVLWYKETBM-SECBINFHSA-N 0 0 308.407 2.222 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2COc3c(C)cccc3C2)C1=O ZINC000630982692 367949372 /nfs/dbraw/zinc/94/93/72/367949372.db2.gz OLNHWQCPKRZILX-KBPBESRZSA-N 0 0 300.358 2.185 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2CCO[C@H](c3ccncc3)C2)C1=O ZINC000630983774 367949380 /nfs/dbraw/zinc/94/93/80/367949380.db2.gz SHSLVCFNKMDDNT-KKUMJFAQSA-N 0 0 315.373 2.188 10 30 DEEERN C=C(CN1C(=O)N2C[C@H](OC)C[C@]2(C)C1=O)c1ccccc1 ZINC000630982528 367949687 /nfs/dbraw/zinc/94/96/87/367949687.db2.gz NSWDWTYFQXGOFF-RHSMWYFYSA-N 0 0 300.358 2.141 10 30 DEEERN C=CCn1c(SC[C@@H]2CCc3ncnn32)nnc1C1CC1 ZINC000631003354 367961980 /nfs/dbraw/zinc/96/19/80/367961980.db2.gz LFPDSHGIECLQQI-NSHDSACASA-N 0 0 302.407 2.213 10 30 DEEERN C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)S(=O)(=O)C1 ZINC000093634734 193278583 /nfs/dbraw/zinc/27/85/83/193278583.db2.gz JLHYMQBZELXBNI-MRVPVSSYSA-N 0 0 304.293 2.363 10 30 DEEERN CCN[C@@]1(C#N)CCC[C@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093747555 193300092 /nfs/dbraw/zinc/30/00/92/193300092.db2.gz LYRSDZDIGLZQCW-FZMZJTMJSA-N 0 0 309.439 2.059 10 30 DEEERN CCCN[C@@]1(C#N)CC[C@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093806730 193309461 /nfs/dbraw/zinc/30/94/61/193309461.db2.gz OCHXOZMXVNCLIT-HZMBPMFUSA-N 0 0 302.407 2.259 10 30 DEEERN COc1ccc(N(C)C(=O)c2csc(C#CCO)c2)cc1 ZINC000093974854 193332500 /nfs/dbraw/zinc/33/25/00/193332500.db2.gz BIQQWABRDQQZKZ-UHFFFAOYSA-N 0 0 301.367 2.377 10 30 DEEERN N#C[C@@H]1CC(=O)N(c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000094188972 193348074 /nfs/dbraw/zinc/34/80/74/193348074.db2.gz AITQEBPMDUVGBI-ZETCQYMHSA-N 0 0 310.107 2.234 10 30 DEEERN OCC#Cc1ccccc1O[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000094408383 193367667 /nfs/dbraw/zinc/36/76/67/193367667.db2.gz GEBJWBPRGYDKMU-RDJZCZTQSA-N 0 0 304.411 2.464 10 30 DEEERN CCN(C[C@@H](C)C#N)c1nc(Br)cn2ccnc12 ZINC000094489453 193373694 /nfs/dbraw/zinc/37/36/94/193373694.db2.gz RODZWWGLNYFTBK-VIFPVBQESA-N 0 0 308.183 2.478 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)c1cc(C)c(C#CCCO)s1 ZINC000094534737 193377449 /nfs/dbraw/zinc/37/74/49/193377449.db2.gz UXRSPVKFHYZUIP-LBPRGKRZSA-N 0 0 304.415 2.412 10 30 DEEERN Cc1cc(C(=O)NCc2csc(C)n2)sc1C#CCCO ZINC000094534611 193377592 /nfs/dbraw/zinc/37/75/92/193377592.db2.gz RFJJAVULTAMYLS-UHFFFAOYSA-N 0 0 320.439 2.485 10 30 DEEERN Cc1cc(C(=O)N[C@@H](C)c2ccccn2)sc1C#CCO ZINC000094533718 193377760 /nfs/dbraw/zinc/37/77/60/193377760.db2.gz WHQKWGKEKVQSSK-LBPRGKRZSA-N 0 0 300.383 2.286 10 30 DEEERN C=CC(C)(C)CNC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000453877937 245337385 /nfs/dbraw/zinc/33/73/85/245337385.db2.gz GNHUKDUJRKSIIE-LLVKDONJSA-N 0 0 304.394 2.121 10 30 DEEERN COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@@H]1c1cnn(C)c1 ZINC000177047008 284294494 /nfs/dbraw/zinc/29/44/94/284294494.db2.gz MQCIGNNOVJPYCV-SJORKVTESA-N 0 0 324.384 2.343 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CC)c(CC)c1 ZINC000454054560 245411119 /nfs/dbraw/zinc/41/11/19/245411119.db2.gz JRKFSCFYYIXITI-INIZCTEOSA-N 0 0 318.417 2.193 10 30 DEEERN C[C@@H](O)CN1CCN(C(=O)N[C@H]2CCCCC23CCCC3)CC1 ZINC000329834363 296182140 /nfs/dbraw/zinc/18/21/40/296182140.db2.gz UMCROYRBONXTHV-CVEARBPZSA-N 0 0 323.481 2.402 10 30 DEEERN COC(=O)[C@H]1CCCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181622731 284322230 /nfs/dbraw/zinc/32/22/30/284322230.db2.gz KGFWTTPZAIDELS-OAHLLOKOSA-N 0 0 312.369 2.409 10 30 DEEERN C=C(Cl)CN1C(=O)[C@H](C(C)C)NC(=O)[C@H]1c1ccccc1 ZINC000161309137 197484041 /nfs/dbraw/zinc/48/40/41/197484041.db2.gz PWGLBAJDUWZCHH-UONOGXRCSA-N 0 0 306.793 2.463 10 30 DEEERN CCOc1ccc(-c2[nH]c(=S)[nH]c(=O)c2C#N)cc1OC ZINC000019651565 182134063 /nfs/dbraw/zinc/13/40/63/182134063.db2.gz KVFIBJSHKQQSQM-UHFFFAOYSA-N 0 0 303.343 2.378 10 30 DEEERN CCN(CC)C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000160302995 197399537 /nfs/dbraw/zinc/39/95/37/197399537.db2.gz RGZUGZYNINLABX-UHFFFAOYSA-N 0 0 303.362 2.152 10 30 DEEERN C=CCCCCNC(=O)C(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000274542410 211705471 /nfs/dbraw/zinc/70/54/71/211705471.db2.gz SCRMZRCDGZTWLJ-UHFFFAOYSA-N 0 0 317.389 2.080 10 30 DEEERN CO[C@@H]([C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1CC1 ZINC000456553044 247269740 /nfs/dbraw/zinc/26/97/40/247269740.db2.gz IKDQTWRFZYRVCC-HYSWKAIVSA-N 0 0 324.421 2.178 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000456752172 247397069 /nfs/dbraw/zinc/39/70/69/247397069.db2.gz BCAFFHFWPUNVEM-CYBMUJFWSA-N 0 0 303.337 2.273 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000456781574 247419939 /nfs/dbraw/zinc/41/99/39/247419939.db2.gz SXGJTKSWBSRWBH-LLVKDONJSA-N 0 0 321.327 2.207 10 30 DEEERN C#CCn1c(CCNC(=O)c2ccncc2)nc2ccccc21 ZINC000040184094 183044975 /nfs/dbraw/zinc/04/49/75/183044975.db2.gz VDZVXTCLXLVOLS-UHFFFAOYSA-N 0 0 304.353 2.037 10 30 DEEERN Cc1ccc(S(=O)(=O)NC2(C#N)CCCC2)cc1[N+](=O)[O-] ZINC000040215448 183046218 /nfs/dbraw/zinc/04/62/18/183046218.db2.gz SJBMAJVBYULRQH-UHFFFAOYSA-N 0 0 309.347 2.018 10 30 DEEERN CN(c1cccc(N)c1)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000041022522 183156194 /nfs/dbraw/zinc/15/61/94/183156194.db2.gz PFFZWCNCMQHXBJ-UHFFFAOYSA-N 0 0 301.371 2.107 10 30 DEEERN CCOc1ccc([C@@H](C#N)N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000041261184 183182155 /nfs/dbraw/zinc/18/21/55/183182155.db2.gz WZVFTHZUSDEHHF-QGZVFWFLSA-N 0 0 313.401 2.204 10 30 DEEERN C[C@H](CN(C)Cc1ccc(F)cc1Br)/C(N)=N/O ZINC000042457824 183272927 /nfs/dbraw/zinc/27/29/27/183272927.db2.gz GBERXESTIUYJAE-MRVPVSSYSA-N 0 0 318.190 2.403 10 30 DEEERN COCc1nc2n(n1)CCC[C@H]2Nc1cccc(F)c1C#N ZINC000268355607 206655894 /nfs/dbraw/zinc/65/58/94/206655894.db2.gz AVMOOUIYEKZFAD-CYBMUJFWSA-N 0 0 301.325 2.382 10 30 DEEERN C#CCOc1cc(F)ccc1NCC1CCS(=O)(=O)CC1 ZINC000273965807 211220648 /nfs/dbraw/zinc/22/06/48/211220648.db2.gz OLIQJXOVPHKPSR-UHFFFAOYSA-N 0 0 311.378 2.074 10 30 DEEERN O=C(c1ccc(F)cc1C#CCCO)N1CCCSCC1 ZINC000048896487 183694991 /nfs/dbraw/zinc/69/49/91/183694991.db2.gz LHSKCWBTKUGHDC-UHFFFAOYSA-N 0 0 307.390 2.139 10 30 DEEERN CC[C@H](C#N)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000109446379 194263648 /nfs/dbraw/zinc/26/36/48/194263648.db2.gz JGOMKFNFDWULRK-OAHLLOKOSA-N 0 0 305.809 2.329 10 30 DEEERN CC[C@H](C#N)N1CCN(C(=O)c2cc(Cl)ccc2O)CC1 ZINC000109446409 194264179 /nfs/dbraw/zinc/26/41/79/194264179.db2.gz MKMCCFKDOWIPBH-GFCCVEGCSA-N 0 0 307.781 2.106 10 30 DEEERN N#CCc1ccc(NC(=O)c2cc(Cl)nc(NN)c2)cc1 ZINC000051605681 183831552 /nfs/dbraw/zinc/83/15/52/183831552.db2.gz ODYPBLPKQXHQCO-UHFFFAOYSA-N 0 0 301.737 2.339 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273553553 210864261 /nfs/dbraw/zinc/86/42/61/210864261.db2.gz XYACVIJCQDZSJX-ARFHVFGLSA-N 0 0 322.380 2.282 10 30 DEEERN Cc1ncc(CN2CCN(C(=O)C3(C#N)CCCC3)CC2)s1 ZINC000110939846 194371970 /nfs/dbraw/zinc/37/19/70/194371970.db2.gz IMBIPSYOXVKBCE-UHFFFAOYSA-N 0 0 318.446 2.180 10 30 DEEERN Cc1ccc([C@H](C)NC(=O)c2ccc(C#CCO)cn2)s1 ZINC000061862441 184190145 /nfs/dbraw/zinc/19/01/45/184190145.db2.gz VMZDMEKEEGUXGT-LBPRGKRZSA-N 0 0 300.383 2.286 10 30 DEEERN CC(C)c1csc(NC(=O)c2ccc(C#CCO)cn2)n1 ZINC000061862490 184190203 /nfs/dbraw/zinc/19/02/03/184190203.db2.gz IOOYZUFBFCCZDX-UHFFFAOYSA-N 0 0 301.371 2.258 10 30 DEEERN Cc1sc2nc(Cn3cnc(C#N)n3)nc(Cl)c2c1C ZINC000061842138 184189624 /nfs/dbraw/zinc/18/96/24/184189624.db2.gz URESUQWANBHVJH-UHFFFAOYSA-N 0 0 304.766 2.473 10 30 DEEERN CC(C)CCCNS(=O)(=O)c1cccc(C#CCCO)c1 ZINC000062096552 184205794 /nfs/dbraw/zinc/20/57/94/184205794.db2.gz WTMXUYMFYDTIMP-UHFFFAOYSA-N 0 0 309.431 2.135 10 30 DEEERN N#Cc1ccc(NCc2ccc(S(N)(=O)=O)cc2)c(Cl)c1 ZINC000062790759 184253007 /nfs/dbraw/zinc/25/30/07/184253007.db2.gz PESBBOBYSJUMNJ-UHFFFAOYSA-N 0 0 321.789 2.471 10 30 DEEERN Cc1nc(CN2CCN(Cc3ccc(C#N)cc3)CC2)oc1C ZINC000064138220 184292493 /nfs/dbraw/zinc/29/24/93/184292493.db2.gz JOJLYRKFKONFJX-UHFFFAOYSA-N 0 0 310.401 2.481 10 30 DEEERN CCCC(=O)NCC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000064864533 184305320 /nfs/dbraw/zinc/30/53/20/184305320.db2.gz JQNLYGVBHDGYCH-UHFFFAOYSA-N 0 0 303.362 2.200 10 30 DEEERN COC(=O)c1sc(NC(=O)Cc2cccc(C#N)c2)nc1C ZINC000531396081 269720716 /nfs/dbraw/zinc/72/07/16/269720716.db2.gz SHJGGJZJESCAIR-UHFFFAOYSA-N 0 0 315.354 2.291 10 30 DEEERN CN[C@@](C)(C#N)C[C@@H](C)Sc1ccc(S(C)(=O)=O)cc1 ZINC000068627162 184494169 /nfs/dbraw/zinc/49/41/69/184494169.db2.gz KAQIVYJNYDBOKZ-BXUZGUMPSA-N 0 0 312.460 2.462 10 30 DEEERN COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)Cc1cccc(C#N)c1 ZINC000537903513 285020377 /nfs/dbraw/zinc/02/03/77/285020377.db2.gz OBONNZOZCNEJSF-YJBOKZPZSA-N 0 0 314.385 2.339 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2nncn2-c2ccccc2)c1 ZINC000538412805 285034682 /nfs/dbraw/zinc/03/46/82/285034682.db2.gz AGNJQXLWOIHGOL-UHFFFAOYSA-N 0 0 303.325 2.320 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1cc(-c2nccn2C)[nH]n1 ZINC000119819311 195042417 /nfs/dbraw/zinc/04/24/17/195042417.db2.gz BYFFZELSOJMUCA-UHFFFAOYSA-N 0 0 306.329 2.243 10 30 DEEERN Cc1cc(C(=O)N2CCSC(C)(C)C2)sc1C#CCO ZINC000159023424 197320167 /nfs/dbraw/zinc/32/01/67/197320167.db2.gz UVWHKZTVBGYJLE-UHFFFAOYSA-N 0 0 309.456 2.368 10 30 DEEERN CC[C@H]1CN(C(=O)c2ccc(C)cc2C#CCO)CCS1 ZINC000157967286 197231602 /nfs/dbraw/zinc/23/16/02/197231602.db2.gz UGHAAICUFJUONA-HNNXBMFYSA-N 0 0 303.427 2.306 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000157142170 197165843 /nfs/dbraw/zinc/16/58/43/197165843.db2.gz OEDUQPGRQKAAEK-GOSISDBHSA-N 0 0 309.369 2.285 10 30 DEEERN C=CCO[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)[C@H]2COC[C@H]21 ZINC000253376982 257106117 /nfs/dbraw/zinc/10/61/17/257106117.db2.gz VPYSXXSJJJPFEE-HYVNUMGLSA-N 0 0 312.369 2.210 10 30 DEEERN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)NC2(C#N)CC2)C1 ZINC000120996473 195277411 /nfs/dbraw/zinc/27/74/11/195277411.db2.gz GBVVMDKQYDJNKP-NEPJUHHUSA-N 0 0 307.394 2.242 10 30 DEEERN C=CC[C@@H](Cc1c(Br)c(CC)nn1CC)NN ZINC000122651923 195481397 /nfs/dbraw/zinc/48/13/97/195481397.db2.gz CYSNHQBSWQNFET-VIFPVBQESA-N 0 0 301.232 2.178 10 30 DEEERN CO[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000128238633 195948611 /nfs/dbraw/zinc/94/86/11/195948611.db2.gz TWAAOQAQRGRAQX-OLZOCXBDSA-N 0 0 314.794 2.057 10 30 DEEERN COCCc1ccc(OCCCC(=O)N[C@H](C#N)C2CC2)cc1 ZINC000108827224 533321451 /nfs/dbraw/zinc/32/14/51/533321451.db2.gz XZJRSXNBDAQJAD-QGZVFWFLSA-N 0 0 316.401 2.453 10 30 DEEERN C[C@H](CC#N)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000373256747 533613172 /nfs/dbraw/zinc/61/31/72/533613172.db2.gz RNTFVXRDOOOIDJ-BARDWOONSA-N 0 0 313.405 2.032 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000176853225 132522803 /nfs/dbraw/zinc/52/28/03/132522803.db2.gz YEPAPBFHDOYOCT-CQSZACIVSA-N 0 0 308.385 2.250 10 30 DEEERN N#Cc1cccc(CCNC(=O)NCc2ccc3cc[nH]c3n2)c1 ZINC000358141236 133124153 /nfs/dbraw/zinc/12/41/53/133124153.db2.gz MRCODTQILBXXLF-UHFFFAOYSA-N 0 0 319.368 2.476 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCC(O[C@H]2CCOC2)CC1 ZINC000359626672 133135903 /nfs/dbraw/zinc/13/59/03/133135903.db2.gz AZGAWMDHBVPUHM-ZDUSSCGKSA-N 0 0 306.387 2.030 10 30 DEEERN Cc1cc(N2CCC(Nc3nc(C)cc(C#N)n3)CC2)nc(C)n1 ZINC000376452604 133294940 /nfs/dbraw/zinc/29/49/40/133294940.db2.gz ANOZNEFRSSICIM-UHFFFAOYSA-N 0 0 323.404 2.144 10 30 DEEERN N#Cc1cccc(-n2ccc(C(=O)NCCOCC3CCC3)n2)c1 ZINC000548827034 285803438 /nfs/dbraw/zinc/80/34/38/285803438.db2.gz IASHZLCXXSFUTD-UHFFFAOYSA-N 0 0 324.384 2.290 10 30 DEEERN N#Cc1ccc(C2(C(=O)N[C@H]3c4ccccc4C[C@@H]3O)CC2)cc1 ZINC000188788636 145017498 /nfs/dbraw/zinc/01/74/98/145017498.db2.gz XPBRRVCMMDGFMK-ROUUACIJSA-N 0 0 318.376 2.364 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(C#N)c(F)c1 ZINC000248904496 145173172 /nfs/dbraw/zinc/17/31/72/145173172.db2.gz WEAUVSKAINTZST-DZKIICNBSA-N 0 0 302.349 2.471 10 30 DEEERN N#Cc1cc(Br)cnc1N1CCC[C@H]1CCCO ZINC000336786795 145397599 /nfs/dbraw/zinc/39/75/99/145397599.db2.gz CNIKDOJTRAYCSN-LBPRGKRZSA-N 0 0 310.195 2.457 10 30 DEEERN CC(=O)N(C)CCc1noc([C@H](C)Oc2ccccc2C#N)n1 ZINC000357226633 147067757 /nfs/dbraw/zinc/06/77/57/147067757.db2.gz UNZIYWQLSMQBPR-NSHDSACASA-N 0 0 314.345 2.102 10 30 DEEERN N#Cc1ccsc1C(=O)NC1CCN(c2nccs2)CC1 ZINC000374262009 148223582 /nfs/dbraw/zinc/22/35/82/148223582.db2.gz ICMIZHHXIMWKFI-UHFFFAOYSA-N 0 0 318.427 2.475 10 30 DEEERN Cc1csc(NC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC000375076615 148328261 /nfs/dbraw/zinc/32/82/61/148328261.db2.gz DVRPBHMYMRDKJY-UHFFFAOYSA-N 0 0 315.402 2.368 10 30 DEEERN CCOCCC1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCCC1 ZINC000370573630 286041060 /nfs/dbraw/zinc/04/10/60/286041060.db2.gz ICNHMKUHILEJBX-MRXNPFEDSA-N 0 0 319.449 2.172 10 30 DEEERN C=C(C)COc1cc(C[NH2+][C@@H](C)Cn2cncn2)ccc1OC ZINC000127290338 401727337 /nfs/dbraw/zinc/72/73/37/401727337.db2.gz WBCPFKVVBSZXHM-AWEZNQCLSA-N 0 0 316.405 2.420 10 30 DEEERN CN(CCN1CCOC1=O)c1cc(C#N)ccc1C(F)(F)F ZINC000127427080 401734586 /nfs/dbraw/zinc/73/45/86/401734586.db2.gz FANCVLNALUCIKW-UHFFFAOYSA-N 0 0 313.279 2.465 10 30 DEEERN CC(C)[C@H](C)NC(=O)C1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000112560106 401749453 /nfs/dbraw/zinc/74/94/53/401749453.db2.gz KAEJSYIAJVSMOJ-LSDHHAIUSA-N 0 0 304.438 2.303 10 30 DEEERN N#Cc1ccc([C@H]([C@@H](O)Cc2ccc(F)cc2)n2cncn2)cc1 ZINC000000006079 401687369 /nfs/dbraw/zinc/68/73/69/401687369.db2.gz SLJZVZKQYSKYNV-ZWKOTPCHSA-N 0 0 322.343 2.482 10 30 in-man DEEERN N#CCSCCCN1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000072518176 401710723 /nfs/dbraw/zinc/71/07/23/401710723.db2.gz RVFOVFXPEASNDX-LLVKDONJSA-N 0 0 310.448 2.193 10 30 DEEERN N#Cc1ccc(CCC(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000127002803 401716291 /nfs/dbraw/zinc/71/62/91/401716291.db2.gz KBINNANOWRZABS-QGZVFWFLSA-N 0 0 323.400 2.021 10 30 DEEERN N#Cc1cnc(N2CCC[C@@H](Cn3cncn3)C2)c(Cl)c1 ZINC000114709681 401806699 /nfs/dbraw/zinc/80/66/99/401806699.db2.gz SFSQNHCLQTWTJJ-LLVKDONJSA-N 0 0 302.769 2.115 10 30 DEEERN CSC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000076302155 401789601 /nfs/dbraw/zinc/78/96/01/401789601.db2.gz VOMHXAADLSRUGB-QMMMGPOBSA-N 0 0 304.824 2.241 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000078122481 401841347 /nfs/dbraw/zinc/84/13/47/401841347.db2.gz TXSAKWOZXMLKBV-KRWDZBQOSA-N 0 0 302.418 2.312 10 30 DEEERN C=CCNC(=O)[C@H]1CCN(c2ccc(Br)cc2)C1=O ZINC000037263458 401911446 /nfs/dbraw/zinc/91/14/46/401911446.db2.gz YSEOLDJIVUOGPN-GFCCVEGCSA-N 0 0 323.190 2.104 10 30 DEEERN COCCOc1ccc(NCc2cnc3ccc(C#N)cn23)cn1 ZINC000118948058 401914760 /nfs/dbraw/zinc/91/47/60/401914760.db2.gz YVSKWJSGXHLWOC-UHFFFAOYSA-N 0 0 323.356 2.238 10 30 DEEERN C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cc(C#N)cn1C ZINC000118984796 401917230 /nfs/dbraw/zinc/91/72/30/401917230.db2.gz RBQMLDUANMKIRU-NSHDSACASA-N 0 0 313.332 2.427 10 30 DEEERN C=C(C)COCCNC(=O)N[C@H](CC)c1c(C)nn(C)c1C ZINC000135018783 401924088 /nfs/dbraw/zinc/92/40/88/401924088.db2.gz RPYNCCVSKLZGAP-CQSZACIVSA-N 0 0 308.426 2.380 10 30 DEEERN CC(C)N(CC#Cc1ccc(Cl)cc1)CCS(C)(=O)=O ZINC000137100282 401979190 /nfs/dbraw/zinc/97/91/90/401979190.db2.gz BEFQPVMWZKNLJT-UHFFFAOYSA-N 0 0 313.850 2.447 10 30 DEEERN Cc1ccc(NC(=O)N(C)[C@@H](C)CC#N)cc1S(C)(=O)=O ZINC000089306747 401942447 /nfs/dbraw/zinc/94/24/47/401942447.db2.gz ZQVQKSIPEAXOOY-NSHDSACASA-N 0 0 309.391 2.164 10 30 DEEERN N#Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000151822494 402059124 /nfs/dbraw/zinc/05/91/24/402059124.db2.gz SLPSMEQISQDHNR-KBPBESRZSA-N 0 0 324.377 2.029 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@H]([S@](=O)c2ncccc2C#N)C1 ZINC000095083179 402024752 /nfs/dbraw/zinc/02/47/52/402024752.db2.gz AILLNDHSVSZWQJ-AMXDTQDGSA-N 0 0 321.402 2.070 10 30 DEEERN C#CCOc1ccc(C(=O)N[C@H]2CCCn3nc(CC)nc32)cc1 ZINC000151302420 402028619 /nfs/dbraw/zinc/02/86/19/402028619.db2.gz RUQGYHXITRENQV-HNNXBMFYSA-N 0 0 324.384 2.117 10 30 DEEERN C#CCSCCNC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000121477480 402038559 /nfs/dbraw/zinc/03/85/59/402038559.db2.gz VBTBQMLJCCLSSE-CQSZACIVSA-N 0 0 320.462 2.250 10 30 DEEERN C=CCCOCCNC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000121745906 402051005 /nfs/dbraw/zinc/05/10/05/402051005.db2.gz ZTXACXMYSLLOAB-UHFFFAOYSA-N 0 0 314.389 2.264 10 30 DEEERN CC#CCNC(=O)c1cn(-c2nc(C)cc(C)n2)nc1C(C)C ZINC000120818274 402003625 /nfs/dbraw/zinc/00/36/25/402003625.db2.gz GEVLTSGCANZZMD-UHFFFAOYSA-N 0 0 311.389 2.156 10 30 DEEERN C#CCOCCC(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000152062352 402073568 /nfs/dbraw/zinc/07/35/68/402073568.db2.gz BNUYGTYDQZIMJG-UHFFFAOYSA-N 0 0 305.349 2.235 10 30 DEEERN CCCn1c(=O)[nH]nc1SCCOc1ccccc1C#N ZINC000058395603 402100904 /nfs/dbraw/zinc/10/09/04/402100904.db2.gz KDMIWABCZHMXMU-UHFFFAOYSA-N 0 0 304.375 2.024 10 30 DEEERN C[C@@H](Nc1ccn(CCC#N)n1)C(=O)N[C@H](C)c1ccccc1 ZINC000152773580 402108317 /nfs/dbraw/zinc/10/83/17/402108317.db2.gz YTUHFIVEAACNOP-ZIAGYGMSSA-N 0 0 311.389 2.475 10 30 DEEERN CCOCCOCC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000123469509 402129821 /nfs/dbraw/zinc/12/98/21/402129821.db2.gz WYWRPCRHJJIASI-UHFFFAOYSA-N 0 0 304.390 2.348 10 30 DEEERN CC(=O)C(=CNc1nc(C)cc(Cl)n1)C(=O)C(F)(F)F ZINC000100068245 402139674 /nfs/dbraw/zinc/13/96/74/402139674.db2.gz HCPDZQTWTWHVEU-DAXSKMNVSA-N 0 0 307.659 2.455 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CCN(CC(F)F)[C@H](CC)C1 ZINC000153396009 402142666 /nfs/dbraw/zinc/14/26/66/402142666.db2.gz DBOVTLAVRNIWQK-CQSZACIVSA-N 0 0 317.424 2.072 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1nc(C)c(C)[nH]c1=O ZINC000123965387 402156977 /nfs/dbraw/zinc/15/69/77/402156977.db2.gz OSRTVPBXEFLXNN-UHFFFAOYSA-N 0 0 322.368 2.087 10 30 DEEERN C=CCOc1ccccc1CN1CCN(c2cnn(C)c2)CC1 ZINC000126082244 402263368 /nfs/dbraw/zinc/26/33/68/402263368.db2.gz MVQUFKWPXKHEHO-UHFFFAOYSA-N 0 0 312.417 2.307 10 30 DEEERN N#C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)C1CC1 ZINC000108842936 402263389 /nfs/dbraw/zinc/26/33/89/402263389.db2.gz CQIJWCJVELMIAS-WCQYABFASA-N 0 0 317.776 2.111 10 30 DEEERN CN(C)c1ccc(N2CCC(Nc3cnc(C#N)cn3)CC2)cc1 ZINC000125659127 402244419 /nfs/dbraw/zinc/24/44/19/402244419.db2.gz QSIGWCADWAEYRX-UHFFFAOYSA-N 0 0 322.416 2.495 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H]1Cn1cccn1 ZINC000069973818 402253394 /nfs/dbraw/zinc/25/33/94/402253394.db2.gz QXJRCWWATPDVPJ-GOEBONIOSA-N 0 0 324.384 2.213 10 30 DEEERN N#C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000108835621 402262415 /nfs/dbraw/zinc/26/24/15/402262415.db2.gz ZVWNLQNMESMURF-AWEZNQCLSA-N 0 0 302.334 2.205 10 30 DEEERN CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@H](C#N)C2CC2)cc1 ZINC000108839083 402262539 /nfs/dbraw/zinc/26/25/39/402262539.db2.gz IMUHAJNGFRNGNL-CXAGYDPISA-N 0 0 314.385 2.394 10 30 DEEERN CC(C)NC(=O)Nc1cccc(C(=O)N[C@H](C#N)C2CC2)c1 ZINC000108832932 402262603 /nfs/dbraw/zinc/26/26/03/402262603.db2.gz BDGQHFITAHMRNW-CQSZACIVSA-N 0 0 300.362 2.248 10 30 DEEERN N#C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C1CC1 ZINC000108842926 402262920 /nfs/dbraw/zinc/26/29/20/402262920.db2.gz CQIJWCJVELMIAS-YPMHNXCESA-N 0 0 317.776 2.111 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000176585845 402321787 /nfs/dbraw/zinc/32/17/87/402321787.db2.gz KYERQBQBUOKNBV-UHFFFAOYSA-N 0 0 322.368 2.385 10 30 DEEERN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1cnc(C#N)cn1 ZINC000126204713 402269422 /nfs/dbraw/zinc/26/94/22/402269422.db2.gz YUHJKSBXRZUIFM-WSVYEEACSA-N 0 0 300.387 2.283 10 30 DEEERN N#Cc1cc(NC(=O)N2CCC[C@H](n3cncn3)C2)ccc1F ZINC000176091795 402277880 /nfs/dbraw/zinc/27/78/80/402277880.db2.gz LSTGXCPWRQWTKR-ZDUSSCGKSA-N 0 0 314.324 2.158 10 30 DEEERN CO[C@H](C)c1nc(C)c(C(=O)N(CCC#N)CCC#N)s1 ZINC000176128510 402281897 /nfs/dbraw/zinc/28/18/97/402281897.db2.gz CZNFTWJAOHWPNL-LLVKDONJSA-N 0 0 306.391 2.428 10 30 DEEERN CCC[C@H](CCO)CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000176157348 402285079 /nfs/dbraw/zinc/28/50/79/402285079.db2.gz KUQOHHQMBVSHCS-UONOGXRCSA-N 0 0 304.390 2.240 10 30 DEEERN CC(C)C[C@@H](CO)N(C)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000184630494 402286177 /nfs/dbraw/zinc/28/61/77/402286177.db2.gz IAGBLUHQADBRAH-ZFWWWQNUSA-N 0 0 304.390 2.191 10 30 DEEERN N#C[C@@H](NC(=O)c1cccc2c1OCC(=O)N2)C1CCCCC1 ZINC000176576560 402320678 /nfs/dbraw/zinc/32/06/78/402320678.db2.gz TZSDZJGHGXWJGZ-CQSZACIVSA-N 0 0 313.357 2.220 10 30 DEEERN N#Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)c[nH]1 ZINC000225552344 402320963 /nfs/dbraw/zinc/32/09/63/402320963.db2.gz BXPYSRFJYYSYQZ-SWLSCSKDSA-N 0 0 317.295 2.113 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)SCc1nnnn1C(C)C ZINC000176913915 402349924 /nfs/dbraw/zinc/34/99/24/402349924.db2.gz QOOMLFKDOYDXSI-LBPRGKRZSA-N 0 0 311.455 2.300 10 30 DEEERN Cc1cc(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)no1 ZINC000185900090 402387629 /nfs/dbraw/zinc/38/76/29/402387629.db2.gz RUGWCIPHTNUBDX-UHFFFAOYSA-N 0 0 309.289 2.079 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccccc1COC1CCOCC1 ZINC000185918921 402389212 /nfs/dbraw/zinc/38/92/12/402389212.db2.gz JNSJMXVGRFVDCB-OAHLLOKOSA-N 0 0 319.401 2.049 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NC(C)(C)c1nc2ccccc2n1C ZINC000185914800 402388425 /nfs/dbraw/zinc/38/84/25/402388425.db2.gz CRTAHKBZLYROQA-UHFFFAOYSA-N 0 0 321.384 2.449 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCc1c(C)nn(CC(C)C)c1C ZINC000185755333 402374038 /nfs/dbraw/zinc/37/40/38/402374038.db2.gz PVAGSYCKFFTDSX-OAHLLOKOSA-N 0 0 307.438 2.142 10 30 DEEERN N#Cc1cccnc1-n1cc(NCc2cccc3c2OCO3)cn1 ZINC000185849512 402382272 /nfs/dbraw/zinc/38/22/72/402382272.db2.gz WICMXVGXWJIMKJ-UHFFFAOYSA-N 0 0 319.324 2.480 10 30 DEEERN COC(=O)CC1(CNC(=O)c2cc(C#N)cn2C)CCCCC1 ZINC000185180117 402331310 /nfs/dbraw/zinc/33/13/10/402331310.db2.gz UHWCVOWJHRYDJI-UHFFFAOYSA-N 0 0 317.389 2.140 10 30 DEEERN C=CCN(CC=C)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000161398109 402386539 /nfs/dbraw/zinc/38/65/39/402386539.db2.gz HBOAJWMMGMXEEE-CYBMUJFWSA-N 0 0 303.410 2.100 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccc(OC(F)F)cc1 ZINC000185250382 402338625 /nfs/dbraw/zinc/33/86/25/402338625.db2.gz DBPNMBMWSUZHOF-LLVKDONJSA-N 0 0 300.305 2.024 10 30 DEEERN C#C[C@H](C)NC(=O)N1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000185983487 402394933 /nfs/dbraw/zinc/39/49/33/402394933.db2.gz NIGVAPPJSXCQRS-QWHCGFSZSA-N 0 0 302.374 2.224 10 30 DEEERN Cn1ccnc1CC1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000162358100 402417528 /nfs/dbraw/zinc/41/75/28/402417528.db2.gz WQJYHPYMDUXDHA-UHFFFAOYSA-N 0 0 308.385 2.387 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@@H](OC)c1cccc(Cl)c1 ZINC000186331539 402421579 /nfs/dbraw/zinc/42/15/79/402421579.db2.gz QGCMXEUTTHGNFY-UONOGXRCSA-N 0 0 312.797 2.264 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000186345765 402423115 /nfs/dbraw/zinc/42/31/15/402423115.db2.gz RHEVUUMPULLHPB-DGCLKSJQSA-N 0 0 322.409 2.415 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cccc(OCCCOC)c1 ZINC000186421195 402429900 /nfs/dbraw/zinc/42/99/00/402429900.db2.gz XPUFKGVHAMVBTA-CQSZACIVSA-N 0 0 308.378 2.160 10 30 DEEERN C#CCCCCNC(=O)N1CCCN(c2ccccn2)CC1 ZINC000186536162 402440135 /nfs/dbraw/zinc/44/01/35/402440135.db2.gz XPWIIGWFILOEPN-UHFFFAOYSA-N 0 0 300.406 2.107 10 30 DEEERN C[C@H]1CC[C@@H](C(=O)NCCSCc2ccccc2C#N)O1 ZINC000177941211 402445561 /nfs/dbraw/zinc/44/55/61/402445561.db2.gz MGIIHNIWYYGHDW-WFASDCNBSA-N 0 0 304.415 2.475 10 30 DEEERN C=CCCOCCNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000163357237 402447951 /nfs/dbraw/zinc/44/79/51/402447951.db2.gz MUJNXJKFSFWROV-UHFFFAOYSA-N 0 0 314.794 2.083 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cccc(OCc2cccnc2)c1 ZINC000185937565 402390782 /nfs/dbraw/zinc/39/07/82/402390782.db2.gz LRXCLEOLRCWFHU-INIZCTEOSA-N 0 0 312.369 2.327 10 30 DEEERN C=CCN(C)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000161603878 402393170 /nfs/dbraw/zinc/39/31/70/402393170.db2.gz GPGHNKIZQWUEHL-OAHLLOKOSA-N 0 0 318.392 2.251 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000186664904 402452654 /nfs/dbraw/zinc/45/26/54/402452654.db2.gz HWENVKYMJHPQSK-SNVBAGLBSA-N 0 0 323.336 2.229 10 30 DEEERN N#Cc1ccc(F)c(CS(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)c1 ZINC000164410749 402461589 /nfs/dbraw/zinc/46/15/89/402461589.db2.gz LRCLOOCXYPJHLG-CHWSQXEVSA-N 0 0 308.378 2.259 10 30 DEEERN CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@@H]1C[C@H]1C(C)C ZINC000186881449 402469258 /nfs/dbraw/zinc/46/92/58/402469258.db2.gz VHCPNZFJBZTCSC-NWDGAFQWSA-N 0 0 318.377 2.204 10 30 DEEERN C=CCOc1cccc(NC(=O)c2cc3c(cn2)nc[nH]c3=O)c1 ZINC000187086609 402482587 /nfs/dbraw/zinc/48/25/87/402482587.db2.gz LJOXQEQCJVBIKC-UHFFFAOYSA-N 0 0 322.324 2.135 10 30 DEEERN CCN1CCO[C@H](CNc2cccc(Br)c2C#N)C1 ZINC000168603933 402497315 /nfs/dbraw/zinc/49/73/15/402497315.db2.gz PDNNJGJDLNBJKL-LLVKDONJSA-N 0 0 324.222 2.453 10 30 DEEERN CC(C)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000169099916 402500202 /nfs/dbraw/zinc/50/02/02/402500202.db2.gz BKFQHOLNPZAQFW-HUUCEWRRSA-N 0 0 307.419 2.446 10 30 DEEERN CO[C@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)CC[C@@H]1C ZINC000187484389 402502794 /nfs/dbraw/zinc/50/27/94/402502794.db2.gz ZKPDQBMOUHIRQA-BBRMVZONSA-N 0 0 317.389 2.155 10 30 DEEERN C=CCCOCCNC(=O)N1CCC(Nc2nccs2)CC1 ZINC000187713004 402509504 /nfs/dbraw/zinc/50/95/04/402509504.db2.gz YJWYRLGEJOKOSC-UHFFFAOYSA-N 0 0 324.450 2.322 10 30 DEEERN Cc1nc(C[C@H]2CCCN(C(=O)C3(C#N)CCCC3)C2)no1 ZINC000171240978 402570680 /nfs/dbraw/zinc/57/06/80/402570680.db2.gz UTJYZRODRPUZNE-CYBMUJFWSA-N 0 0 302.378 2.243 10 30 DEEERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cccc(F)c1C#N ZINC000188259066 402518114 /nfs/dbraw/zinc/51/81/14/402518114.db2.gz DONHJVWUGQTSAI-SNVBAGLBSA-N 0 0 314.364 2.409 10 30 DEEERN N#Cc1ccc(OCCn2ccnc2[C@@H](O)c2ccccn2)cc1 ZINC000189436189 402536745 /nfs/dbraw/zinc/53/67/45/402536745.db2.gz PSKVLNNGZULHAO-KRWDZBQOSA-N 0 0 320.352 2.310 10 30 DEEERN N#CCCCCNC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000171505454 402589943 /nfs/dbraw/zinc/58/99/43/402589943.db2.gz MXNYWBCJJKUASL-UHFFFAOYSA-N 0 0 319.430 2.410 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCc1cccc(CO)c1 ZINC000171508444 402590104 /nfs/dbraw/zinc/59/01/04/402590104.db2.gz MMKAJYUCOPINOQ-CYBMUJFWSA-N 0 0 310.353 2.134 10 30 DEEERN C=CCNC(=O)[C@@H](C)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000171622376 402602856 /nfs/dbraw/zinc/60/28/56/402602856.db2.gz ARTLSWBEIGWMPY-LLVKDONJSA-N 0 0 301.365 2.356 10 30 DEEERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180036674 402605633 /nfs/dbraw/zinc/60/56/33/402605633.db2.gz KVQWGJJJTSGRKE-QWHCGFSZSA-N 0 0 313.401 2.275 10 30 DEEERN N#CC1(c2ccc(C(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)cc2)CC1 ZINC000180536006 402619812 /nfs/dbraw/zinc/61/98/12/402619812.db2.gz GDXHUANFNJQSTD-HZPDHXFCSA-N 0 0 323.396 2.125 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000180568524 402620314 /nfs/dbraw/zinc/62/03/14/402620314.db2.gz PTPCDIQVCSBKNO-LSDHHAIUSA-N 0 0 317.437 2.489 10 30 DEEERN CCn1cc([C@H]2CN(Cc3cc(C#N)ccc3F)CCO2)cn1 ZINC000190776435 402622004 /nfs/dbraw/zinc/62/20/04/402622004.db2.gz LTLBJXSYIRDABA-QGZVFWFLSA-N 0 0 314.364 2.487 10 30 DEEERN Cc1ccc(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)nc1 ZINC000181191809 402637651 /nfs/dbraw/zinc/63/76/51/402637651.db2.gz XGKONVGPBLVSHP-UHFFFAOYSA-N 0 0 310.357 2.273 10 30 DEEERN CCc1nccn1[C@@H]1CCCN(C(=O)NCCCCC#N)C1 ZINC000172462230 402657647 /nfs/dbraw/zinc/65/76/47/402657647.db2.gz SQNVOIVKXILOJK-CQSZACIVSA-N 0 0 303.410 2.486 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000182844466 402721135 /nfs/dbraw/zinc/72/11/35/402721135.db2.gz FKZQUBIBKHQWJP-HOCLYGCPSA-N 0 0 304.390 2.383 10 30 DEEERN COc1ccsc1C(=O)NCCOc1ccc(C#N)cc1 ZINC000173880141 402717017 /nfs/dbraw/zinc/71/70/17/402717017.db2.gz USBWOCNZKBIOMH-UHFFFAOYSA-N 0 0 302.355 2.437 10 30 DEEERN C[C@@H](NS(=O)(=O)CCCC#N)c1cccc(-n2ccnc2)c1 ZINC000173964482 402721811 /nfs/dbraw/zinc/72/18/11/402721811.db2.gz WIUXDWTXTXNILD-CYBMUJFWSA-N 0 0 318.402 2.156 10 30 DEEERN C[C@@H](COCc1ccccc1)NC(=O)C1(C#N)CCOCC1 ZINC000172958405 402680752 /nfs/dbraw/zinc/68/07/52/402680752.db2.gz YPSMMUBTSKDROI-AWEZNQCLSA-N 0 0 302.374 2.028 10 30 DEEERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cccc(CC#N)c1 ZINC000173455799 402698472 /nfs/dbraw/zinc/69/84/72/402698472.db2.gz XGMAFMZQCRQCKH-LBPRGKRZSA-N 0 0 310.401 2.464 10 30 DEEERN CN1CCC(=O)Nc2cc(C(=O)NC3(C#N)CCCC3)ccc21 ZINC000174637450 402749438 /nfs/dbraw/zinc/74/94/38/402749438.db2.gz HRPNHRIQBGWLMS-UHFFFAOYSA-N 0 0 312.373 2.031 10 30 DEEERN N#Cc1cc(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)ccn1 ZINC000192920959 402757071 /nfs/dbraw/zinc/75/70/71/402757071.db2.gz CQLQFSGPMQZCKT-MRXNPFEDSA-N 0 0 311.341 2.368 10 30 DEEERN N#CCSCC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174847635 402759748 /nfs/dbraw/zinc/75/97/48/402759748.db2.gz IOSDCPIECXNPCC-CABCVRRESA-N 0 0 304.415 2.358 10 30 DEEERN N#Cc1cc(C(=O)NCc2ccc(OCC3CC3)nc2)ccn1 ZINC000193042285 402761862 /nfs/dbraw/zinc/76/18/62/402761862.db2.gz CBVFLUFRVSDKSP-UHFFFAOYSA-N 0 0 308.341 2.067 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000183390501 402762722 /nfs/dbraw/zinc/76/27/22/402762722.db2.gz SVZIZCSAZOBZQL-AWEZNQCLSA-N 0 0 323.412 2.408 10 30 DEEERN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1OCC#N ZINC000175005092 402771038 /nfs/dbraw/zinc/77/10/38/402771038.db2.gz IRHKPFOCZXIWPH-LSDHHAIUSA-N 0 0 313.401 2.288 10 30 DEEERN CCCCCS(=O)(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000194661864 402808515 /nfs/dbraw/zinc/80/85/15/402808515.db2.gz MABSRDRYQPGAIR-UHFFFAOYSA-N 0 0 319.390 2.071 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(OCCOC)cc1C ZINC000184195863 402826190 /nfs/dbraw/zinc/82/61/90/402826190.db2.gz NQVIFVWCCXDCMB-ZDUSSCGKSA-N 0 0 308.378 2.079 10 30 DEEERN N#Cc1cc(C(=O)NCCOc2ccc(Cl)cc2)ccn1 ZINC000195045182 402828947 /nfs/dbraw/zinc/82/89/47/402828947.db2.gz HGMYRYULWAMUBT-UHFFFAOYSA-N 0 0 301.733 2.415 10 30 DEEERN Cc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)n1C ZINC000184283222 402832652 /nfs/dbraw/zinc/83/26/52/402832652.db2.gz GTNLTFOORHQOTD-UHFFFAOYSA-N 0 0 306.329 2.038 10 30 DEEERN CC(C)c1nnc2n1C[C@H](NC(=O)c1ccc(C#N)cc1)CC2 ZINC000195262269 402839283 /nfs/dbraw/zinc/83/92/83/402839283.db2.gz XXOSJHGXSUUFQC-CQSZACIVSA-N 0 0 309.373 2.018 10 30 DEEERN CC(C)c1nnc2n1C[C@H](NC(=O)c1cccc(C#N)c1)CC2 ZINC000195257112 402839289 /nfs/dbraw/zinc/83/92/89/402839289.db2.gz SFUCYVCXWWOCOH-CQSZACIVSA-N 0 0 309.373 2.018 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000183628359 402783122 /nfs/dbraw/zinc/78/31/22/402783122.db2.gz JRQGOJDIZVUOFL-DZGCQCFKSA-N 0 0 314.389 2.170 10 30 DEEERN CCc1ncsc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183647301 402785271 /nfs/dbraw/zinc/78/52/71/402785271.db2.gz AJBWCICZYPQOKG-UHFFFAOYSA-N 0 0 324.369 2.410 10 30 DEEERN C=CCSCCNC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000176026507 402848575 /nfs/dbraw/zinc/84/85/75/402848575.db2.gz QSYMBXIRDZXOCW-AWEZNQCLSA-N 0 0 308.451 2.285 10 30 DEEERN C=C[C@@](C)(O)CC(=O)Nc1nc(-c2cccc(OC)c2)ns1 ZINC000278824573 402875150 /nfs/dbraw/zinc/87/51/50/402875150.db2.gz JFQIJRWAPFSEEZ-OAHLLOKOSA-N 0 0 319.386 2.479 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1c(F)ccc(Br)c1F ZINC000280337409 402990034 /nfs/dbraw/zinc/99/00/34/402990034.db2.gz SYVDZYYUHJVBNR-ZETCQYMHSA-N 0 0 320.133 2.394 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000273453467 403005876 /nfs/dbraw/zinc/00/58/76/403005876.db2.gz CUUOPKQDZLGZGP-AWEZNQCLSA-N 0 0 304.394 2.130 10 30 DEEERN C=CC[C@H](CO)NC(=O)COc1ccccc1C(F)(F)F ZINC000273488121 403008931 /nfs/dbraw/zinc/00/89/31/403008931.db2.gz NQZKYMYVLPXLJE-SNVBAGLBSA-N 0 0 303.280 2.137 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1c(CC)cc(C)cc1CC ZINC000281036177 403057409 /nfs/dbraw/zinc/05/74/09/403057409.db2.gz NKOIZGYIWPFULK-HNNXBMFYSA-N 0 0 318.417 2.112 10 30 DEEERN C=CCCCCNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000274530056 403064409 /nfs/dbraw/zinc/06/44/09/403064409.db2.gz DFSBTLWTEGKXKN-CQSZACIVSA-N 0 0 303.410 2.101 10 30 DEEERN C=CCN1CC[C@@H](N(C)C/C=C/c2ccccc2OC)C1=O ZINC000281383669 403067609 /nfs/dbraw/zinc/06/76/09/403067609.db2.gz WJUBVZMEAYPMSN-MNDMWVCDSA-N 0 0 300.402 2.427 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)C12CCOCC2 ZINC000329960334 286313310 /nfs/dbraw/zinc/31/33/10/286313310.db2.gz RORHDYVOPSWAGV-AHDPXTMNSA-N 0 0 309.406 2.342 10 30 DEEERN C=C(CSCC(=O)Nc1nc(C)cs1)C(=O)OCC ZINC000282137274 403125891 /nfs/dbraw/zinc/12/58/91/403125891.db2.gz LRAWYRMQNTYQNN-UHFFFAOYSA-N 0 0 300.405 2.243 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1nccn1-c1ccccc1 ZINC000282856173 403162144 /nfs/dbraw/zinc/16/21/44/403162144.db2.gz SNHIQWBSIWMXAD-NVXWUHKLSA-N 0 0 311.385 2.470 10 30 DEEERN Cc1ccc2c(c1)N(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@H](C)O2 ZINC000282965415 403164290 /nfs/dbraw/zinc/16/42/90/403164290.db2.gz KTSGRVVTZXCRRO-OLZOCXBDSA-N 0 0 323.418 2.061 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CC[C@@H](CC)C1 ZINC000283144599 403175399 /nfs/dbraw/zinc/17/53/99/403175399.db2.gz DFORUSPNCDQYEY-ZIAGYGMSSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCCC(C)(C)C1 ZINC000282161368 403128403 /nfs/dbraw/zinc/12/84/03/403128403.db2.gz CXFVFTJOANEKRV-CYBMUJFWSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC000282410932 403151127 /nfs/dbraw/zinc/15/11/27/403151127.db2.gz XFKWMRLNVNGLAS-IHRRRGAJSA-N 0 0 306.410 2.034 10 30 DEEERN C=CCCCN(C)c1nnc([C@H]2COCCO2)n1CC(C)C ZINC000283194319 403179683 /nfs/dbraw/zinc/17/96/83/403179683.db2.gz AWQKTWUFEOMFEI-CQSZACIVSA-N 0 0 308.426 2.424 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@@H](O)C1 ZINC000276518951 403183001 /nfs/dbraw/zinc/18/30/01/403183001.db2.gz UWLUAHVMAVXOKC-CQSZACIVSA-N 0 0 316.401 2.070 10 30 DEEERN C=CCN(CCC#N)C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000292275673 403341349 /nfs/dbraw/zinc/34/13/49/403341349.db2.gz HEUIEGJQAKNASA-OAHLLOKOSA-N 0 0 311.385 2.276 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)[C@@H](CC(C)C)C(=O)OC)c1 ZINC000285866608 403399705 /nfs/dbraw/zinc/39/97/05/403399705.db2.gz DRPYWCAKRNRCML-INIZCTEOSA-N 0 0 316.401 2.126 10 30 DEEERN C=CCC[C@@H](NC(=O)[C@H](O)Cc1cnn(C)c1)c1ccccc1 ZINC000345893460 403522879 /nfs/dbraw/zinc/52/28/79/403522879.db2.gz SWEIPZWHIALMOA-IAGOWNOFSA-N 0 0 313.401 2.147 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCCC(=O)OCC ZINC000286326656 403500078 /nfs/dbraw/zinc/50/00/78/403500078.db2.gz AKGMDLJHHCJUQI-INIZCTEOSA-N 0 0 316.401 2.264 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000345835275 403503325 /nfs/dbraw/zinc/50/33/25/403503325.db2.gz BPBJOLTZQUTFTF-IRXDYDNUSA-N 0 0 302.418 2.216 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCOC)Cc1cccnc1 ZINC000345842093 403506274 /nfs/dbraw/zinc/50/62/74/403506274.db2.gz ZXEZOKYHJMNVNB-HOTGVXAUSA-N 0 0 304.390 2.038 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1OC ZINC000293588910 403512143 /nfs/dbraw/zinc/51/21/43/403512143.db2.gz OEOURBGEEKCJJL-ZBFHGGJFSA-N 0 0 314.385 2.193 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](CCOC)Cc1ccco1 ZINC000346576782 403594803 /nfs/dbraw/zinc/59/48/03/403594803.db2.gz TUMFLXWAZGFBGY-BPUTZDHNSA-N 0 0 307.390 2.325 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000346208768 403579643 /nfs/dbraw/zinc/57/96/43/403579643.db2.gz GGGXZUOCEJSAJI-AGIUHOORSA-N 0 0 320.355 2.063 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H](Cc1ccccn1)C(=O)OCC ZINC000346950416 403608805 /nfs/dbraw/zinc/60/88/05/403608805.db2.gz GTXLIAVOEDCAIP-DZGCQCFKSA-N 0 0 304.390 2.274 10 30 DEEERN COc1cc(F)ccc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC000301302579 403612995 /nfs/dbraw/zinc/61/29/95/403612995.db2.gz SAHHKXCGXHMKBJ-UHFFFAOYSA-N 0 0 312.348 2.428 10 30 DEEERN CCc1noc(CN(C)c2nnc(CC)c(CC)c2C#N)n1 ZINC000301633149 403656693 /nfs/dbraw/zinc/65/66/93/403656693.db2.gz UXNDOSHLXTUFCD-UHFFFAOYSA-N 0 0 300.366 2.055 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(CC)CC(C)(C)O ZINC000288013971 403708978 /nfs/dbraw/zinc/70/89/78/403708978.db2.gz CAUSRSRTAIDZQU-MRXNPFEDSA-N 0 0 302.418 2.423 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CO)C1 ZINC000288112379 403727275 /nfs/dbraw/zinc/72/72/75/403727275.db2.gz JLUXHKZMTIGNII-IAGOWNOFSA-N 0 0 300.402 2.035 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](O)C(C)(C)C1 ZINC000288238064 403743066 /nfs/dbraw/zinc/74/30/66/403743066.db2.gz SAZFPJMPQWNDMF-SJORKVTESA-N 0 0 314.429 2.423 10 30 DEEERN C=CCOc1ccc(CNC(=O)NC[C@@H]2CCC[C@H]2O)cc1 ZINC000288356439 403746992 /nfs/dbraw/zinc/74/69/92/403746992.db2.gz IIILGOCENPFQNB-GOEBONIOSA-N 0 0 304.390 2.212 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CCC([C@H](C)O)CC2)cc1 ZINC000295097096 403759045 /nfs/dbraw/zinc/75/90/45/403759045.db2.gz WXYSIZNOEQTIJW-AWEZNQCLSA-N 0 0 303.402 2.413 10 30 DEEERN C=CCN(CC=C)S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000289298915 403900183 /nfs/dbraw/zinc/90/01/83/403900183.db2.gz HZCIWWXWVUBRAH-UHFFFAOYSA-N 0 0 313.375 2.046 10 30 DEEERN C=CCN(C(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000362768683 403986807 /nfs/dbraw/zinc/98/68/07/403986807.db2.gz GHSFSNRBSAHJBF-CQSZACIVSA-N 0 0 314.451 2.046 10 30 DEEERN Cc1ncc(S(=O)(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1C#N ZINC000314611403 403998894 /nfs/dbraw/zinc/99/88/94/403998894.db2.gz VKDUXONTWHTMHZ-CHWSQXEVSA-N 0 0 305.403 2.072 10 30 DEEERN C=CCNC(=O)CN1CCN(C2CC2)c2cc(Cl)ccc21 ZINC000362598619 403972474 /nfs/dbraw/zinc/97/24/74/403972474.db2.gz BEGLYWNWYADOJB-UHFFFAOYSA-N 0 0 305.809 2.431 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000348821421 404101642 /nfs/dbraw/zinc/10/16/42/404101642.db2.gz WBBWDZVFKISDMK-BZUAXINKSA-N 0 0 322.380 2.282 10 30 DEEERN C=CCCOCCN1C(=O)N[C@@H](Cc2cccc(Cl)c2)C1=O ZINC000348605847 404082670 /nfs/dbraw/zinc/08/26/70/404082670.db2.gz LZLWIWUUYNKRBK-AWEZNQCLSA-N 0 0 322.792 2.396 10 30 DEEERN C=C[C@](C)(O)CC(=O)N[C@@H](CC(=O)OCC)c1ccccc1C ZINC000290296850 404115536 /nfs/dbraw/zinc/11/55/36/404115536.db2.gz IAOUVKXPWIGKCW-YJBOKZPZSA-N 0 0 319.401 2.433 10 30 DEEERN CCc1noc([C@H](C)N2CC[C@@H](n3ccc(NC(C)=O)n3)C2)n1 ZINC000328624741 404117367 /nfs/dbraw/zinc/11/73/67/404117367.db2.gz KDEWQOUDKHNZHH-CMPLNLGQSA-N 0 0 318.381 2.444 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C([O-])=[NH+]c3cccnc3)C2)n1 ZINC000328630829 404118821 /nfs/dbraw/zinc/11/88/21/404118821.db2.gz QGIMPHSEYWABAZ-CYBMUJFWSA-N 0 0 314.349 2.379 10 30 DEEERN CC(=O)N(C[C@H]1CCCN1C(=O)Nc1cccc(C)n1)C1CC1 ZINC000328626303 404120536 /nfs/dbraw/zinc/12/05/36/404120536.db2.gz DZYKJNDSUDJMEN-OAHLLOKOSA-N 0 0 316.405 2.411 10 30 DEEERN Cn1cc(CC(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)cn1 ZINC000328639605 404122052 /nfs/dbraw/zinc/12/20/52/404122052.db2.gz CCJNLBWXBWTOOL-GOEBONIOSA-N 0 0 300.362 2.234 10 30 DEEERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)COc2cccc(C)c2)C1 ZINC000328650997 404125387 /nfs/dbraw/zinc/12/53/87/404125387.db2.gz VSFGPHZQNHSIQO-UHFFFAOYSA-N 0 0 320.389 2.268 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC000290361145 404141307 /nfs/dbraw/zinc/14/13/07/404141307.db2.gz LHYYYBUJRJZXNM-ZIAGYGMSSA-N 0 0 315.425 2.411 10 30 DEEERN C[C@H](CNC(=O)c1cn2ccnc2s1)N1CCCCC1=O ZINC000328763518 404146621 /nfs/dbraw/zinc/14/66/21/404146621.db2.gz OHQGIGUYJZGJCX-SNVBAGLBSA-N 0 0 306.391 2.101 10 30 DEEERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000328843482 404160410 /nfs/dbraw/zinc/16/04/10/404160410.db2.gz UWOPMMXUIXBFCV-CHWSQXEVSA-N 0 0 309.410 2.300 10 30 DEEERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000328890514 404169480 /nfs/dbraw/zinc/16/94/80/404169480.db2.gz RSKZFGFRGRYIAS-XHSDSOJGSA-N 0 0 318.421 2.137 10 30 DEEERN C#CCCNC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000363536726 404177726 /nfs/dbraw/zinc/17/77/26/404177726.db2.gz QSQREZNLVGJGAC-LBPRGKRZSA-N 0 0 307.344 2.114 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)N(CC)CCc1nccs1 ZINC000352238162 404238712 /nfs/dbraw/zinc/23/87/12/404238712.db2.gz NNMYHDHKCKAAIC-CYBMUJFWSA-N 0 0 323.462 2.395 10 30 DEEERN C[C@H](NC(=O)[C@H]1CCCN1C(=O)C1CCCC1)c1ncon1 ZINC000329226130 404271195 /nfs/dbraw/zinc/27/11/95/404271195.db2.gz ACNPTZXNQSCIDP-CMPLNLGQSA-N 0 0 306.366 2.268 10 30 DEEERN CCO[C@@H]1C[C@@H](NC(=O)c2sccc2C#N)[C@]12CCCO2 ZINC000363976551 404273668 /nfs/dbraw/zinc/27/36/68/404273668.db2.gz SCMAALOLNBYPRK-LALPHHSUSA-N 0 0 306.387 2.076 10 30 DEEERN CC1(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)COC1 ZINC000329460460 404342262 /nfs/dbraw/zinc/34/22/62/404342262.db2.gz SBTZEGSSTSIRNL-KGLIPLIRSA-N 0 0 308.422 2.408 10 30 DEEERN Cc1noc([C@@H](C)N2CCN(C(=O)NCC3CCCC3)CC2)n1 ZINC000329384996 404321592 /nfs/dbraw/zinc/32/15/92/404321592.db2.gz RVFFMLNXEPNOHC-GFCCVEGCSA-N 0 0 321.425 2.161 10 30 DEEERN C=CC[C@@H](C)NC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000355836343 404370475 /nfs/dbraw/zinc/37/04/75/404370475.db2.gz AQTQBKUQXKILGD-GFCCVEGCSA-N 0 0 319.409 2.028 10 30 DEEERN O=C(N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)[C@H]1CCCSC1 ZINC000329602248 404389791 /nfs/dbraw/zinc/38/97/91/404389791.db2.gz XXKKOOADPNMCBN-NWDGAFQWSA-N 0 0 322.434 2.251 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2C[C@H](OCC)[C@H]2n2cccn2)CCC1 ZINC000342134249 404390929 /nfs/dbraw/zinc/39/09/29/404390929.db2.gz YFMDJIVFRGTUEQ-ILXRZTDVSA-N 0 0 303.406 2.464 10 30 DEEERN C=CCCCN(C)C(=O)c1c(C)nn(C)c1-n1ccnc1C ZINC000356170009 404397192 /nfs/dbraw/zinc/39/71/92/404397192.db2.gz PFFWFMFWDVPDLO-UHFFFAOYSA-N 0 0 301.394 2.261 10 30 DEEERN COc1c(C)cc(CN(C)C(=O)N[C@@H]2CC[S@@](=O)C2)cc1C ZINC000329992011 404518064 /nfs/dbraw/zinc/51/80/64/404518064.db2.gz KFHJAAUGMUMLOT-JLCFBVMHSA-N 0 0 324.446 2.179 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC000342206642 404442229 /nfs/dbraw/zinc/44/22/29/404442229.db2.gz NLRIOCCBWPFTOO-NSHDSACASA-N 0 0 318.373 2.100 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC000413982454 404466239 /nfs/dbraw/zinc/46/62/39/404466239.db2.gz GEEPJVSYYGZGPZ-QAPCUYQASA-N 0 0 300.402 2.206 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N(C)Cc1cc[nH]n1 ZINC000351465048 404587903 /nfs/dbraw/zinc/58/79/03/404587903.db2.gz YJUCEILLYKRXCN-UHFFFAOYSA-N 0 0 300.362 2.316 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCOC[C@@H]1C ZINC000342381595 404545037 /nfs/dbraw/zinc/54/50/37/404545037.db2.gz STKLGVOHSOVGNX-BBRMVZONSA-N 0 0 307.390 2.349 10 30 DEEERN CCC[C@@H]1C[C@@H]1NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000330162216 404570850 /nfs/dbraw/zinc/57/08/50/404570850.db2.gz UJVLITPEOSIZQU-LOWVWBTDSA-N 0 0 303.424 2.114 10 30 DEEERN C=CCOc1ccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1 ZINC000352716299 404571782 /nfs/dbraw/zinc/57/17/82/404571782.db2.gz FJCBBGPPZBZZMD-KRWDZBQOSA-N 0 0 322.364 2.308 10 30 DEEERN C=CCOc1ccc(CN2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)cc1 ZINC000356526429 404572416 /nfs/dbraw/zinc/57/24/16/404572416.db2.gz NLEXCXMKKJSMJI-OKILXGFUSA-N 0 0 309.431 2.259 10 30 DEEERN C=CCN(CCc1ccco1)Cc1csc(CC(=O)NC)n1 ZINC000352719258 404573707 /nfs/dbraw/zinc/57/37/07/404573707.db2.gz GHAQJXIGWOQYQG-UHFFFAOYSA-N 0 0 319.430 2.255 10 30 DEEERN C=C(C)COCCNC(=O)c1ncsc1Br ZINC000342567900 404654227 /nfs/dbraw/zinc/65/42/27/404654227.db2.gz KQYVULZYWQLOGO-UHFFFAOYSA-N 0 0 305.197 2.228 10 30 DEEERN CC[C@]1(O)CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000330279260 404613327 /nfs/dbraw/zinc/61/33/27/404613327.db2.gz QTQRJUZBTCTXBH-RYRKJORJSA-N 0 0 317.433 2.193 10 30 DEEERN Cc1c([C@@H]2[C@H](C(=O)N[C@@H](C)CC3CC3)CC(=O)N2C)cnn1C ZINC000330305605 404621682 /nfs/dbraw/zinc/62/16/82/404621682.db2.gz QTUXPDNYJQTDIO-WNMQOVRZSA-N 0 0 318.421 2.393 10 30 DEEERN C=C(C)[C@H](NC(=O)N1CC(=O)N(C)C1)c1ccc(F)c(F)c1 ZINC000357692238 404741133 /nfs/dbraw/zinc/74/11/33/404741133.db2.gz CKHKACAMHIAQKV-AWEZNQCLSA-N 0 0 309.316 2.023 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000366097508 404756623 /nfs/dbraw/zinc/75/66/23/404756623.db2.gz ZGWANNQPPMTSEY-ZDUSSCGKSA-N 0 0 314.389 2.300 10 30 DEEERN C=CCN(C)C(=O)C(=O)N[C@H](C)c1ccc2ncsc2c1 ZINC000358339785 404759816 /nfs/dbraw/zinc/75/98/16/404759816.db2.gz GWXUAKFECVXYEN-SNVBAGLBSA-N 0 0 303.387 2.118 10 30 DEEERN C=C(CNC(=O)N(CCOC)[C@@H]1CCOC1)c1ccccc1 ZINC000358566744 404767448 /nfs/dbraw/zinc/76/74/48/404767448.db2.gz BVACJCDECBWYCQ-MRXNPFEDSA-N 0 0 304.390 2.147 10 30 DEEERN N#CC1(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)CCCCC1 ZINC000374753609 404711422 /nfs/dbraw/zinc/71/14/22/404711422.db2.gz TTYBPQRKIOMNTP-CABCVRRESA-N 0 0 320.433 2.144 10 30 DEEERN C=CCN(CCOC)C(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000357056674 404726423 /nfs/dbraw/zinc/72/64/23/404726423.db2.gz XPEJHWCLQCAFEC-ZDUSSCGKSA-N 0 0 305.422 2.299 10 30 DEEERN C=C(C)Cn1c(CCc2ccco2)nnc1N(C)[C@H]1CCOC1 ZINC000359120154 404784117 /nfs/dbraw/zinc/78/41/17/404784117.db2.gz ZWBNTPDHLVCHCD-AWEZNQCLSA-N 0 0 316.405 2.458 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC000359104501 404784227 /nfs/dbraw/zinc/78/42/27/404784227.db2.gz OWRUOELIJOHYPN-AWEZNQCLSA-N 0 0 319.453 2.110 10 30 DEEERN C=C(C)Cn1c(C2CC2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359116894 404784402 /nfs/dbraw/zinc/78/44/02/404784402.db2.gz QMZYRKQQMQHJOL-HNNXBMFYSA-N 0 0 301.438 2.405 10 30 DEEERN C=C(C)COCCNC(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000359227457 404787541 /nfs/dbraw/zinc/78/75/41/404787541.db2.gz WRYANWREJIEHFE-HNNXBMFYSA-N 0 0 320.437 2.213 10 30 DEEERN C=CCN(CCC#N)C(=O)Cc1nnn(-c2ccc(C)cc2)c1C ZINC000359447010 404793841 /nfs/dbraw/zinc/79/38/41/404793841.db2.gz PNPXCCBGZBNYLX-UHFFFAOYSA-N 0 0 323.400 2.355 10 30 DEEERN C=CCCN(C)C(=O)C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000359539887 404795940 /nfs/dbraw/zinc/79/59/40/404795940.db2.gz YEECTARENBFFHI-UHFFFAOYSA-N 0 0 323.396 2.399 10 30 DEEERN C=CCNC(=O)[C@H](C)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000360669284 404833785 /nfs/dbraw/zinc/83/37/85/404833785.db2.gz NSUUPZJGWQCJOJ-KBXCAEBGSA-N 0 0 300.402 2.199 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000353480316 404841920 /nfs/dbraw/zinc/84/19/20/404841920.db2.gz BSVQEIDONFNGGB-DZGCQCFKSA-N 0 0 305.422 2.419 10 30 DEEERN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@@H]3C)C2)n1 ZINC000377900092 404850325 /nfs/dbraw/zinc/85/03/25/404850325.db2.gz GHWISZFYRQZXTE-HOCLYGCPSA-N 0 0 312.417 2.489 10 30 DEEERN C=CCOCCNC(=O)N[C@@H]1CCOc2c(OC)cccc21 ZINC000361110086 404923103 /nfs/dbraw/zinc/92/31/03/404923103.db2.gz VDAQGHMCNLHZEF-CYBMUJFWSA-N 0 0 306.362 2.021 10 30 DEEERN C=CCN(CCc1ccco1)S(=O)(=O)c1cnccc1C ZINC000451381596 404974492 /nfs/dbraw/zinc/97/44/92/404974492.db2.gz GLRGJGQTAGNZKZ-UHFFFAOYSA-N 0 0 306.387 2.402 10 30 DEEERN COc1cccc2c1OCC(C(=O)Nc1cc(C#N)ccn1)=C2 ZINC000436013333 405035717 /nfs/dbraw/zinc/03/57/17/405035717.db2.gz BHNNNZJULQLNND-UHFFFAOYSA-N 0 0 307.309 2.376 10 30 DEEERN C[C@@H](CC(F)(F)F)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451412423 404985934 /nfs/dbraw/zinc/98/59/34/404985934.db2.gz OCQOTQCFEPTELQ-QMMMGPOBSA-N 0 0 324.299 2.458 10 30 DEEERN Cc1cc(C)nc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)n1 ZINC000361434450 405074504 /nfs/dbraw/zinc/07/45/04/405074504.db2.gz CTSGLFWUEOHTFG-INIZCTEOSA-N 0 0 318.377 2.294 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1nc(COC)cs1 ZINC000436387129 405076881 /nfs/dbraw/zinc/07/68/81/405076881.db2.gz QCACVHJWRMRKCH-CMPLNLGQSA-N 0 0 311.407 2.392 10 30 DEEERN Cc1oc(NC(=O)[C@H](C)N2CCOCC3(CC3)C2)c(C#N)c1C ZINC000408174699 405130159 /nfs/dbraw/zinc/13/01/59/405130159.db2.gz LSGCSAMSRVGJJE-LBPRGKRZSA-N 0 0 317.389 2.208 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000361509129 405108343 /nfs/dbraw/zinc/10/83/43/405108343.db2.gz AFGPBFSCMYMEKF-MAUKXSAKSA-N 0 0 324.465 2.069 10 30 DEEERN C[C@@H]1CCOCCN1CC(=O)Nc1ccccc1SCC#N ZINC000367655985 405116332 /nfs/dbraw/zinc/11/63/32/405116332.db2.gz FGPFUOBFPMVTIJ-CYBMUJFWSA-N 0 0 319.430 2.352 10 30 DEEERN C=CCC1(C(=O)Nc2ccc(C(N)=O)c(C)c2)CCOCC1 ZINC000424637985 405134955 /nfs/dbraw/zinc/13/49/55/405134955.db2.gz DQZPRRLCYUXZSM-UHFFFAOYSA-N 0 0 302.374 2.405 10 30 DEEERN C=CCc1cc(/C=C\c2cc(=O)n3[nH]cnc3n2)cc(OC)c1O ZINC000436933686 405164026 /nfs/dbraw/zinc/16/40/26/405164026.db2.gz QTOUWXCPLQWWJP-WAYWQWQTSA-N 0 0 324.340 2.031 10 30 DEEERN C=CCC1(C(=O)N2CC[C@H]([C@H](O)C(F)(F)F)C2)CCOCC1 ZINC000424868950 405200067 /nfs/dbraw/zinc/20/00/67/405200067.db2.gz VAFLDSGDFJQDAH-RYUDHWBXSA-N 0 0 321.339 2.131 10 30 DEEERN C=CCCn1cc(C(=O)NC[C@H]2CCO[C@H](C(C)C)C2)nn1 ZINC000424865364 405200326 /nfs/dbraw/zinc/20/03/26/405200326.db2.gz DATJOKAJBFUJJH-ZFWWWQNUSA-N 0 0 306.410 2.035 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c[nH]cc1-c1cnn(C)c1 ZINC000437490367 405202006 /nfs/dbraw/zinc/20/20/06/405202006.db2.gz MHCGSIIXYLPAAF-MLGOLLRUSA-N 0 0 314.389 2.126 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1=Cc2cc(F)ccc2OC1 ZINC000424928865 405214519 /nfs/dbraw/zinc/21/45/19/405214519.db2.gz AMCRPUIIBJHOSX-NHYWBVRUSA-N 0 0 303.333 2.309 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)Oc1cccc(C(C)=O)c1 ZINC000424933376 405215222 /nfs/dbraw/zinc/21/52/22/405215222.db2.gz QEJSEWUNCWTXGZ-QRTARXTBSA-N 0 0 317.385 2.364 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000424932290 405215289 /nfs/dbraw/zinc/21/52/89/405215289.db2.gz MRHRGNUZTLUUAZ-HOTGVXAUSA-N 0 0 316.426 2.499 10 30 DEEERN C=CC(C)(C)CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000452773242 405240927 /nfs/dbraw/zinc/24/09/27/405240927.db2.gz AGULKLVBOSKGDZ-UHFFFAOYSA-N 0 0 315.822 2.442 10 30 DEEERN C=CCC1(C(=O)Nc2ncc(C(=O)OC)s2)CCOCC1 ZINC000425427721 405289029 /nfs/dbraw/zinc/28/90/29/405289029.db2.gz SVUZKTSDEXJCKL-UHFFFAOYSA-N 0 0 310.375 2.241 10 30 DEEERN C=CCCCS(=O)(=O)NCC(=O)C1CCC(F)(F)CC1 ZINC000425189711 405255348 /nfs/dbraw/zinc/25/53/48/405255348.db2.gz CXLYQULCPZOXQX-UHFFFAOYSA-N 0 0 309.378 2.267 10 30 DEEERN C=CCn1cc(CNC(=O)Nc2cccc([C@H](C)OC)c2)nn1 ZINC000425645847 405309913 /nfs/dbraw/zinc/30/99/13/405309913.db2.gz DMEHOXUUZGMREQ-LBPRGKRZSA-N 0 0 315.377 2.493 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccnc1OCCC ZINC000425444547 405291749 /nfs/dbraw/zinc/29/17/49/405291749.db2.gz BVPBCAIYEAQXPL-ZFWWWQNUSA-N 0 0 319.405 2.261 10 30 DEEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(C)(C)CC)cc1 ZINC000440033241 405300348 /nfs/dbraw/zinc/30/03/48/405300348.db2.gz YMQRGVQVAWWYOI-OAHLLOKOSA-N 0 0 318.417 2.366 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000427652564 405417390 /nfs/dbraw/zinc/41/73/90/405417390.db2.gz VVOMAAFZRISQPX-FICVDOATSA-N 0 0 300.358 2.105 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)Nc1ccc2nc(C)cn2c1 ZINC000445922808 405362802 /nfs/dbraw/zinc/36/28/02/405362802.db2.gz BXLFVDMRQJATHH-UHFFFAOYSA-N 0 0 300.362 2.006 10 30 DEEERN CCN(CC)c1ccc(CNC(=O)c2ccc(C#N)n2C)cn1 ZINC000448714661 405440648 /nfs/dbraw/zinc/44/06/48/405440648.db2.gz ACUUJGOGZMYFEU-UHFFFAOYSA-N 0 0 311.389 2.068 10 30 DEEERN C=C1CC(C)(C(=O)N[C@H](c2cnn(C)c2)C2(CO)CCC2)C1 ZINC000633162181 405475845 /nfs/dbraw/zinc/47/58/45/405475845.db2.gz YKBVDZPUOMMNJG-CQSZACIVSA-N 0 0 303.406 2.096 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000633380209 405608950 /nfs/dbraw/zinc/60/89/50/405608950.db2.gz VGOKJEIZKQEVBX-CQSZACIVSA-N 0 0 307.438 2.431 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000633411579 405630115 /nfs/dbraw/zinc/63/01/15/405630115.db2.gz WRTUYOILOYKTEV-CVEARBPZSA-N 0 0 323.481 2.483 10 30 DEEERN N#CC1CCC(CNC(=O)N[C@@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000458749381 405569291 /nfs/dbraw/zinc/56/92/91/405569291.db2.gz ZUIDVTXHNIZGKX-DNDXXGFKSA-N 0 0 319.449 2.413 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCN(c2ccc(OC)cn2)CC1 ZINC000457022898 405660157 /nfs/dbraw/zinc/66/01/57/405660157.db2.gz NIBHJNRMBMAKEA-CQSZACIVSA-N 0 0 303.406 2.341 10 30 DEEERN C=CCN(C(=O)NCc1nn(C)cc1Br)C1CC1 ZINC000459005506 405688806 /nfs/dbraw/zinc/68/88/06/405688806.db2.gz DWIIPFWLHUYPCK-UHFFFAOYSA-N 0 0 313.199 2.043 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)C[C@H]1CCCS1(=O)=O ZINC000636028247 405690728 /nfs/dbraw/zinc/69/07/28/405690728.db2.gz LAIREFCZONXNDH-HZPDHXFCSA-N 0 0 321.442 2.257 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000459036876 405707615 /nfs/dbraw/zinc/70/76/15/405707615.db2.gz DQJLHBKLHJZCDY-MJBXVCDLSA-N 0 0 324.421 2.093 10 30 DEEERN C=CCN(C(=O)c1nn(C2CCOCC2)cc1C)[C@H](C)COC ZINC000633613239 405745837 /nfs/dbraw/zinc/74/58/37/405745837.db2.gz VUXAZJQSLHGYCM-CQSZACIVSA-N 0 0 321.421 2.206 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)C1 ZINC000633617371 405747301 /nfs/dbraw/zinc/74/73/01/405747301.db2.gz NJFFJKBSWLUTPT-CYBMUJFWSA-N 0 0 314.385 2.273 10 30 DEEERN C=CCNC(=O)CNC(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000432353781 405752311 /nfs/dbraw/zinc/75/23/11/405752311.db2.gz PHTPXIZNYDBZDC-ZDUSSCGKSA-N 0 0 321.808 2.141 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCc2c(F)cc(F)cc2C1 ZINC000450152756 405759340 /nfs/dbraw/zinc/75/93/40/405759340.db2.gz PZJGSUFVORAIRX-UHFFFAOYSA-N 0 0 301.296 2.373 10 30 DEEERN C=CCN(C(=O)C[C@H](n1ccnc1)C(F)(F)F)[C@@H](C)COC ZINC000636161541 405783938 /nfs/dbraw/zinc/78/39/38/405783938.db2.gz WKXOOTABAIANJY-RYUDHWBXSA-N 0 0 319.327 2.426 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCC[C@H](n2ccnn2)CC1)OCC ZINC000636191212 405803204 /nfs/dbraw/zinc/80/32/04/405803204.db2.gz YCPIRCFYDSTMOB-LSDHHAIUSA-N 0 0 306.410 2.203 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](C)S(C)(=O)=O ZINC000450298524 405822985 /nfs/dbraw/zinc/82/29/85/405822985.db2.gz NALYHMNMKTWYAB-GFCCVEGCSA-N 0 0 312.391 2.016 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@H]2CCOC[C@H]2C)c(OC)c1 ZINC000432442618 405767505 /nfs/dbraw/zinc/76/75/05/405767505.db2.gz OVYBFBYIUZFVCM-HIFRSBDPSA-N 0 0 319.401 2.344 10 30 DEEERN C[C@H](COCC(F)(F)F)NC(=O)Cc1cccc(C#N)c1 ZINC000530680207 405845625 /nfs/dbraw/zinc/84/56/25/405845625.db2.gz GEPWWROQSVKBER-SNVBAGLBSA-N 0 0 300.280 2.184 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2COc3cc(F)cc(F)c32)C1=O ZINC000630979783 405950108 /nfs/dbraw/zinc/95/01/08/405950108.db2.gz VXPAYKRROWALOO-GHMZBOCLSA-N 0 0 308.284 2.285 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1sc(C)cc1Br ZINC000457706275 405962168 /nfs/dbraw/zinc/96/21/68/405962168.db2.gz IBQHJUYUOCVNQT-QMMMGPOBSA-N 0 0 304.209 2.486 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1nnn(CC2CCCC2)c1C ZINC000515833842 406082816 /nfs/dbraw/zinc/08/28/16/406082816.db2.gz XBAMFDBGDLIKFM-GJZGRUSLSA-N 0 0 318.421 2.098 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O ZINC000565770293 406082965 /nfs/dbraw/zinc/08/29/65/406082965.db2.gz NVYQNHQOYLUJSY-RYUDHWBXSA-N 0 0 319.405 2.109 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000636813089 406088592 /nfs/dbraw/zinc/08/85/92/406088592.db2.gz ATUSYMSLDLUJHK-LSDHHAIUSA-N 0 0 322.449 2.169 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000566630186 406090734 /nfs/dbraw/zinc/09/07/34/406090734.db2.gz ZLFQFNLURSELNQ-UHFFFAOYSA-N 0 0 303.337 2.498 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N[C@H](CF)c1ccc(F)cc1 ZINC000632344753 406100220 /nfs/dbraw/zinc/10/02/20/406100220.db2.gz NXCUCCNLGWGUSF-CQSZACIVSA-N 0 0 308.328 2.153 10 30 DEEERN C=CCn1c(N(C)C[C@@H]2CCCOC2)nnc1[C@]1(C)CCCO1 ZINC000562790918 406055717 /nfs/dbraw/zinc/05/57/17/406055717.db2.gz NDPDTKLEVAQKCK-YOEHRIQHSA-N 0 0 320.437 2.353 10 30 DEEERN C=CCCCCNS(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632226735 406058122 /nfs/dbraw/zinc/05/81/22/406058122.db2.gz DQFRDSUCMXJMIR-UHFFFAOYSA-N 0 0 311.329 2.074 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(C#N)c(C)n1 ZINC000563382317 406060195 /nfs/dbraw/zinc/06/01/95/406060195.db2.gz FRHCAWTUOIZKCZ-UHFFFAOYSA-N 0 0 300.362 2.063 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000636726318 406064414 /nfs/dbraw/zinc/06/44/14/406064414.db2.gz MZUVAFKDNQXCKM-CWRNSKLLSA-N 0 0 322.449 2.311 10 30 DEEERN CC(=O)CN(C(C)C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000632376704 406113202 /nfs/dbraw/zinc/11/32/02/406113202.db2.gz LYDWISANOMDUKG-UHFFFAOYSA-N 0 0 314.794 2.200 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1Cc2ccccc2[C@@H]1OC ZINC000518968715 406170289 /nfs/dbraw/zinc/17/02/89/406170289.db2.gz WYCXVHHPUQUOOQ-ORQFMDKSSA-N 0 0 316.401 2.189 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C)[C@@](C)(OC)C1CC1 ZINC000636962022 406134678 /nfs/dbraw/zinc/13/46/78/406134678.db2.gz CAIVTMDXYRIVNI-SJKOYZFVSA-N 0 0 310.438 2.025 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1coc2c1ccc(OC)c2C ZINC000632445900 406140969 /nfs/dbraw/zinc/14/09/69/406140969.db2.gz SDGPZYJPVIMBCE-ZDUSSCGKSA-N 0 0 303.358 2.346 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCc1ncc(C)cc1C ZINC000637000674 406145544 /nfs/dbraw/zinc/14/55/44/406145544.db2.gz YFSSZXLYPIJPCP-UHFFFAOYSA-N 0 0 317.433 2.076 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000637025536 406154305 /nfs/dbraw/zinc/15/43/05/406154305.db2.gz YYQBGFYSLQOTMM-MJBXVCDLSA-N 0 0 314.451 2.092 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnnc(-c2ccccc2)c1 ZINC000518759138 406155855 /nfs/dbraw/zinc/15/58/55/406155855.db2.gz KMZGOXBVFWXNNC-YOEHRIQHSA-N 0 0 309.369 2.465 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)CC1(N(C)C)CC1 ZINC000632544470 406176791 /nfs/dbraw/zinc/17/67/91/406176791.db2.gz HCLYLYDILYUISL-KBPBESRZSA-N 0 0 300.468 2.135 10 30 DEEERN C=CCN(C)C(=O)C(=O)N[C@H]1CCCc2ccc(Cl)cc21 ZINC000637124777 406184022 /nfs/dbraw/zinc/18/40/22/406184022.db2.gz FSIQWHMBPZNJCY-AWEZNQCLSA-N 0 0 306.793 2.478 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 ZINC000632591394 406193097 /nfs/dbraw/zinc/19/30/97/406193097.db2.gz VPMFJWSPWLTJNO-MRVPVSSYSA-N 0 0 309.313 2.015 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](c2ccc(O)cc2)C1 ZINC000637231155 406222020 /nfs/dbraw/zinc/22/20/20/406222020.db2.gz HOLHVFNYPNEWKY-ZOBUZTSGSA-N 0 0 316.401 2.482 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1csc(CC)n1 ZINC000519637952 406226524 /nfs/dbraw/zinc/22/65/24/406226524.db2.gz IZASYUKLJDMXCA-AAEUAGOBSA-N 0 0 309.435 2.438 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@@H]2CCCc3c2ccc(=O)n3C)C1 ZINC000637256060 406230795 /nfs/dbraw/zinc/23/07/95/406230795.db2.gz OYKKXAASQYDFDF-DZGCQCFKSA-N 0 0 315.417 2.370 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000637265121 406234655 /nfs/dbraw/zinc/23/46/55/406234655.db2.gz QNCXUBJLTBMXOH-ATLSCFEFSA-N 0 0 324.465 2.144 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000519706515 406239613 /nfs/dbraw/zinc/23/96/13/406239613.db2.gz KAIGCRVEXNOZMV-KFWWJZLASA-N 0 0 322.449 2.169 10 30 DEEERN C=C1CC(C)(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)C1 ZINC000632770087 406256230 /nfs/dbraw/zinc/25/62/30/406256230.db2.gz LGXYHPARPAEMNH-AWEZNQCLSA-N 0 0 302.422 2.170 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC(C)(C)S(=O)(=O)CC1 ZINC000637323898 406259206 /nfs/dbraw/zinc/25/92/06/406259206.db2.gz MRVGFOJLSGRBLP-UHFFFAOYSA-N 0 0 316.467 2.197 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](O)[C@H](C)c1ccc(C)cc1 ZINC000519825469 406259747 /nfs/dbraw/zinc/25/97/47/406259747.db2.gz YQAFOWDOXCOGRM-IWCQGFGOSA-N 0 0 303.402 2.167 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000637348080 406268863 /nfs/dbraw/zinc/26/88/63/406268863.db2.gz AHMPHYVECDKIIP-REBRKWNGSA-N 0 0 306.793 2.214 10 30 DEEERN C=CCN(CCOC)C(=O)NC[C@]1(C)COc2ccccc2O1 ZINC000637339549 406266199 /nfs/dbraw/zinc/26/61/99/406266199.db2.gz QZBJOZHDJTXWCW-QGZVFWFLSA-N 0 0 320.389 2.061 10 30 DEEERN C[C@H](C(=O)Nc1ccc(F)cc1NC1CC1)n1cnc(C#N)n1 ZINC000545979741 406340865 /nfs/dbraw/zinc/34/08/65/406340865.db2.gz YWRHREJFSSQDFY-SECBINFHSA-N 0 0 314.324 2.063 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)N[C@H]1CC[C@H](OCCC(C)C)CC1 ZINC000637413210 406299459 /nfs/dbraw/zinc/29/94/59/406299459.db2.gz MLBRYLCPXXESFS-ULQDDVLXSA-N 0 0 324.465 2.434 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2C[C@H](C)O[C@@H]2C)cc1 ZINC000637652108 406380046 /nfs/dbraw/zinc/38/00/46/406380046.db2.gz WCLIQJZRNIUGHI-YWPYICTPSA-N 0 0 317.389 2.290 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cc(C)cnc1OC ZINC000635261176 406479214 /nfs/dbraw/zinc/47/92/14/406479214.db2.gz VYFFEULRHMXGBA-UHFFFAOYSA-N 0 0 319.405 2.446 10 30 DEEERN C[C@H](C(=O)Nc1nc2c(cc1C#N)CCCC2)c1cnn(C)c1 ZINC000548192288 406491545 /nfs/dbraw/zinc/49/15/45/406491545.db2.gz BFCZBPVQICEVNJ-NSHDSACASA-N 0 0 309.373 2.308 10 30 DEEERN Cc1onc(CC(=O)N2Cc3ccccc3C3(CC3)C2)c1C#N ZINC000547846665 406454441 /nfs/dbraw/zinc/45/44/41/406454441.db2.gz NRCWGNMPPWWGCV-UHFFFAOYSA-N 0 0 307.353 2.471 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(-c2ccsc2)nn1C ZINC000490187010 406455901 /nfs/dbraw/zinc/45/59/01/406455901.db2.gz KGGFEIYMDBQJAE-NSHDSACASA-N 0 0 306.391 2.207 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cscc1Cl ZINC000635200376 406458585 /nfs/dbraw/zinc/45/85/85/406458585.db2.gz XPYNMFOEGZQHGY-KWQFWETISA-N 0 0 314.794 2.047 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(OC)cc1F ZINC000635212853 406461961 /nfs/dbraw/zinc/46/19/61/406461961.db2.gz PVRVNVFENYAOEQ-TXEJJXNPSA-N 0 0 318.348 2.482 10 30 DEEERN N#Cc1cccc(CC(=O)NCc2nnc(C3CC3)n2C2CC2)c1 ZINC000548517126 406525406 /nfs/dbraw/zinc/52/54/06/406525406.db2.gz BAONNPKWDXWFLZ-UHFFFAOYSA-N 0 0 321.384 2.221 10 30 DEEERN C[C@@H]1CN(c2ccc(Nc3ccncc3C#N)cn2)C[C@@H](C)O1 ZINC000553560006 406765164 /nfs/dbraw/zinc/76/51/64/406765164.db2.gz SIQGJSABNJFPDM-CHWSQXEVSA-N 0 0 309.373 2.127 10 30 DEEERN C=CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC000573527841 406774200 /nfs/dbraw/zinc/77/42/00/406774200.db2.gz GYGBFSBHGIBUJX-OLZOCXBDSA-N 0 0 324.388 2.100 10 30 DEEERN CCOC(=O)Cc1c(C#N)ccc([N+](=O)[O-])c1Br ZINC000575383514 406808133 /nfs/dbraw/zinc/80/81/33/406808133.db2.gz NDZHBHMMZPVVMK-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(OC(F)(F)F)c1C#N ZINC000575395762 406808678 /nfs/dbraw/zinc/80/86/78/406808678.db2.gz PPHZJUCNKLDZAE-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN CCOC(=O)Cc1cc([N+](=O)[O-])c(OC(F)F)cc1C#N ZINC000575387790 406808951 /nfs/dbraw/zinc/80/89/51/406808951.db2.gz KMWLUXBCMXXAEF-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN N#CCc1cc(I)c(F)cc1[N+](=O)[O-] ZINC000575707151 406821423 /nfs/dbraw/zinc/82/14/23/406821423.db2.gz MPJAPTMRBQEHAZ-UHFFFAOYSA-N 0 0 306.034 2.405 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NC[C@@H]1CC12CCSCC2 ZINC000576956702 406834071 /nfs/dbraw/zinc/83/40/71/406834071.db2.gz BJCNJUVWTLTRNC-AWEZNQCLSA-N 0 0 324.490 2.499 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2C[C@H](OCC)[C@@]23CCCO3)CCOCC1 ZINC000577216631 406835922 /nfs/dbraw/zinc/83/59/22/406835922.db2.gz STTFKYSHBHCROH-RVKKMQEKSA-N 0 0 323.433 2.202 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000556119342 406862432 /nfs/dbraw/zinc/86/24/32/406862432.db2.gz MITMMKYDZRCYLV-OLZOCXBDSA-N 0 0 305.765 2.195 10 30 DEEERN CN(c1ccccc1C#N)S(=O)(=O)c1cnccc1Cl ZINC000128623423 195979023 /nfs/dbraw/zinc/97/90/23/195979023.db2.gz LFGWIBHZMQMIRF-UHFFFAOYSA-N 0 0 307.762 2.432 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)c1cccn1C ZINC000129384870 196043842 /nfs/dbraw/zinc/04/38/42/196043842.db2.gz HOIJWIZUOYTZSQ-UHFFFAOYSA-N 0 0 305.341 2.347 10 30 DEEERN Cc1cc(C#CCCO)cc(C(=O)N2CCCSCC2)c1 ZINC000131591202 196182624 /nfs/dbraw/zinc/18/26/24/196182624.db2.gz NDZVPTSHPJEBJN-UHFFFAOYSA-N 0 0 303.427 2.308 10 30 DEEERN Cc1cc(C#CCO)cc(C(=O)N[C@H](C)c2nccs2)c1 ZINC000131667698 196190359 /nfs/dbraw/zinc/19/03/59/196190359.db2.gz KVPWLMQEEBQQDF-GFCCVEGCSA-N 0 0 300.383 2.286 10 30 DEEERN CC(C)n1c(Sc2cc(C#N)ccc2[C@H](C)O)n[nH]c1=O ZINC000131737957 196195355 /nfs/dbraw/zinc/19/53/55/196195355.db2.gz PCYNGGDOCSPAJP-VIFPVBQESA-N 0 0 304.375 2.228 10 30 DEEERN CCS(=O)(=O)CCNc1ccc(Br)cc1C#N ZINC000132339553 196247123 /nfs/dbraw/zinc/24/71/23/196247123.db2.gz CCMZXFLZWOQYGM-UHFFFAOYSA-N 0 0 317.208 2.167 10 30 DEEERN CSCC[C@@H](C)NC(=O)c1cc(C#CCCO)ccc1F ZINC000132358366 196248745 /nfs/dbraw/zinc/24/87/45/196248745.db2.gz GBRZNQSPCYCPOG-GFCCVEGCSA-N 0 0 309.406 2.431 10 30 DEEERN C[C@@H](CS(C)(=O)=O)Nc1ccc(Br)cc1C#N ZINC000132276031 196241762 /nfs/dbraw/zinc/24/17/62/196241762.db2.gz ZIGHFNFHNDVAKF-QMMMGPOBSA-N 0 0 317.208 2.166 10 30 DEEERN O=C(N[C@H]1CCCSC1)c1ccc(C#CCCO)cc1F ZINC000136575751 196542342 /nfs/dbraw/zinc/54/23/42/196542342.db2.gz INRWWJNMEBTJIY-ZDUSSCGKSA-N 0 0 307.390 2.185 10 30 DEEERN C=C[C@H](C)Oc1ccc(S(N)(=O)=O)c2ccc(Cl)nc12 ZINC000136829884 196554278 /nfs/dbraw/zinc/55/42/78/196554278.db2.gz CGZYHTBFPMGVNZ-QMMMGPOBSA-N 0 0 312.778 2.489 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000176574975 224824229 /nfs/dbraw/zinc/82/42/29/224824229.db2.gz XUHLVXCMSTWTEY-UHFFFAOYSA-N 0 0 308.341 2.276 10 30 DEEERN N#CC1(C(=O)N2CCN(c3cccs3)C(=O)C2)CCCC1 ZINC000184072874 224933192 /nfs/dbraw/zinc/93/31/92/224933192.db2.gz CEXNEYHPQLROEK-UHFFFAOYSA-N 0 0 303.387 2.007 10 30 DEEERN N#CCCN(Cc1ccccn1)C(=O)c1cn2ccnc2s1 ZINC000188544952 225025018 /nfs/dbraw/zinc/02/50/18/225025018.db2.gz CCUSYHCSBLJQKV-UHFFFAOYSA-N 0 0 311.370 2.347 10 30 DEEERN C[C@H](NC(=O)NC[C@@H]1CCC[C@@H]1O)[C@H]1COc2ccccc21 ZINC000328813921 225801540 /nfs/dbraw/zinc/80/15/40/225801540.db2.gz GADIKSMAQQZQEM-VIRABCJISA-N 0 0 304.390 2.216 10 30 DEEERN C[C@H](NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)[C@@H]1CCCCO1 ZINC000328895140 225812733 /nfs/dbraw/zinc/81/27/33/225812733.db2.gz VCBQPETUOMHYCK-AVGNSLFASA-N 0 0 315.435 2.115 10 30 DEEERN Cc1cccc2c1OC[C@H](NC(=O)N1CCO[C@H](C3CC3)C1)C2 ZINC000329622098 225904958 /nfs/dbraw/zinc/90/49/58/225904958.db2.gz NGBVNCCBUDMYLJ-CVEARBPZSA-N 0 0 316.401 2.323 10 30 DEEERN O=C(C[C@@H]1CCOC1)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000329730719 225922595 /nfs/dbraw/zinc/92/25/95/225922595.db2.gz DGPAWLCGWMTWPL-WDEREUQCSA-N 0 0 309.391 2.149 10 30 DEEERN O=C(N[C@H]1CCOc2c(F)cccc21)N1CC(O)(C2CC2)C1 ZINC000329315778 225865689 /nfs/dbraw/zinc/86/56/89/225865689.db2.gz CUOPRKLSARCIHO-ZDUSSCGKSA-N 0 0 306.337 2.020 10 30 DEEERN C[C@H](NC(=O)NC[C@@H]1CCCn2ccnc21)[C@H]1CCCCO1 ZINC000329499786 225888161 /nfs/dbraw/zinc/88/81/61/225888161.db2.gz VQCYUQAJCDLUDN-MELADBBJSA-N 0 0 306.410 2.222 10 30 DEEERN N#C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCCC3)CCN1C1CC1 ZINC000370991566 227061343 /nfs/dbraw/zinc/06/13/43/227061343.db2.gz LARRUMQRSYBFRW-LJQANCHMSA-N 0 0 323.440 2.307 10 30 DEEERN Cc1ccc(C(F)(F)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000371599725 227074936 /nfs/dbraw/zinc/07/49/36/227074936.db2.gz YEYAWANLHDMQNQ-OAHLLOKOSA-N 0 0 319.355 2.286 10 30 DEEERN C=C(C)Cn1c(C2CC2)nnc1N1CCc2cc[nH]c(=O)c2C1 ZINC000291058992 222106236 /nfs/dbraw/zinc/10/62/36/222106236.db2.gz POEYSZBNYZPHFB-UHFFFAOYSA-N 0 0 311.389 2.395 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCn2cncc2C1 ZINC000290998369 222060327 /nfs/dbraw/zinc/06/03/27/222060327.db2.gz ARFWFBOBZCGNNH-INIZCTEOSA-N 0 0 308.385 2.043 10 30 DEEERN C=CCN(CC=C)c1nnc([C@@H]2COCCO2)n1CC(=C)C ZINC000291016972 222074636 /nfs/dbraw/zinc/07/46/36/222074636.db2.gz MKSSLUIEXLEYSS-AWEZNQCLSA-N 0 0 304.394 2.121 10 30 DEEERN C=CCN(CC=C)c1nnc([C@@H]2COCCO2)n1CC(C)C ZINC000291315772 222307612 /nfs/dbraw/zinc/30/76/12/222307612.db2.gz DIGWMNVYPHCTKN-AWEZNQCLSA-N 0 0 306.410 2.200 10 30 DEEERN N#CC1(c2ccccn2)CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000376594506 227172944 /nfs/dbraw/zinc/17/29/44/227172944.db2.gz FIRFYEMVWYIRRD-GFCCVEGCSA-N 0 0 313.323 2.252 10 30 DEEERN C[C@H]1CCC[C@@](C#N)(NC(=O)c2nn(C)c3ccccc3c2=O)C1 ZINC000408003354 227226175 /nfs/dbraw/zinc/22/61/75/227226175.db2.gz FLPSNXJNLHMHOB-KPZWWZAWSA-N 0 0 324.384 2.136 10 30 DEEERN C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)CC(C)(C)C1 ZINC000408066395 227227246 /nfs/dbraw/zinc/22/72/46/227227246.db2.gz XYYDFKSJNWXSTO-UONOGXRCSA-N 0 0 305.422 2.033 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(NCC2CC2)nc1)C(=O)OC ZINC000601781248 422427021 /nfs/dbraw/zinc/42/70/21/422427021.db2.gz HPUXHQGYULBYTD-CQSZACIVSA-N 0 0 317.389 2.141 10 30 DEEERN N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)[nH]1 ZINC000119558503 264024519 /nfs/dbraw/zinc/02/45/19/264024519.db2.gz VISCEYPYHYRFMD-CQSZACIVSA-N 0 0 324.388 2.182 10 30 DEEERN CC#CCCNC(=O)N[C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000361525591 424844404 /nfs/dbraw/zinc/84/44/04/424844404.db2.gz OHKLMRLWHUMYCS-LLVKDONJSA-N 0 0 323.418 2.402 10 30 DEEERN C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(OC)n(C)n1 ZINC000548066714 424868633 /nfs/dbraw/zinc/86/86/33/424868633.db2.gz HGPXGTSHDHFYJY-UHFFFAOYSA-N 0 0 314.389 3.039 10 30 DEEERN C=C(C)COCCNC(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1 ZINC000345137460 424993890 /nfs/dbraw/zinc/99/38/90/424993890.db2.gz LPMFGZUDLHQCPJ-ZDUSSCGKSA-N 0 0 306.410 2.877 10 30 DEEERN C=CCCOCCNc1ncnc2c(OC)cc(OC)cc12 ZINC000432840891 425019453 /nfs/dbraw/zinc/01/94/53/425019453.db2.gz OFIAYJYQPKNYGY-UHFFFAOYSA-N 0 0 303.362 2.652 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNc1nccn2c1nnc2C(C)C ZINC000435601080 425029965 /nfs/dbraw/zinc/02/99/65/425029965.db2.gz JBLLRUZEHPXEGO-QWHCGFSZSA-N 0 0 301.394 2.641 10 30 DEEERN C=C(C)CN(CC)C(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1 ZINC000597147741 425031102 /nfs/dbraw/zinc/03/11/02/425031102.db2.gz NTHGFMLCMDGVTO-UHFFFAOYSA-N 0 0 322.409 2.655 10 30 DEEERN C=CCC1(C(=O)Nc2ccn(CC(=O)OC(C)(C)C)n2)CCC1 ZINC000598547303 425038446 /nfs/dbraw/zinc/03/84/46/425038446.db2.gz SIRHXOPUCILIOP-UHFFFAOYSA-N 0 0 319.405 2.910 10 30 DEEERN C=CCn1c(N)nnc1SCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351819998 425042417 /nfs/dbraw/zinc/04/24/17/425042417.db2.gz DUMZCKKZSZFICZ-UHFFFAOYSA-N 0 0 321.362 2.255 10 30 DEEERN C=CCC[C@H](CO)NC(=O)Nc1cc(-c2ccccc2F)on1 ZINC000455338419 425096755 /nfs/dbraw/zinc/09/67/55/425096755.db2.gz HXPXVAZIPYZSGR-LLVKDONJSA-N 0 0 319.336 2.929 10 30 DEEERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)Cc2cccc(C#N)c2)C1 ZINC000531179095 267242043 /nfs/dbraw/zinc/24/20/43/267242043.db2.gz DACBMKLNCJXTII-DMPWYTOCSA-N 0 0 318.442 2.297 10 30 DEEERN COC(=O)[C@H]1CN(C(=O)Cc2cccc(C#N)c2)c2ccccc21 ZINC000530395379 267386386 /nfs/dbraw/zinc/38/63/86/267386386.db2.gz FRYAMJBDUJHLQI-INIZCTEOSA-N 0 0 320.348 2.404 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccccc2Cn2cncn2)c1 ZINC000531384235 268278290 /nfs/dbraw/zinc/27/82/90/268278290.db2.gz WJLNJSRVQXUZJJ-UHFFFAOYSA-N 0 0 317.352 2.379 10 30 DEEERN N#Cc1nc2ccccc2cc1N1CCO[C@@]2(CCCOC2)C1 ZINC000334059365 269012537 /nfs/dbraw/zinc/01/25/37/269012537.db2.gz XUQOEQHMMIELBR-SFHVURJKSA-N 0 0 309.369 2.492 10 30 DEEERN CC(C)OCC(C)(C)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000396401639 269103157 /nfs/dbraw/zinc/10/31/57/269103157.db2.gz YGPROCXOAIMLFQ-UHFFFAOYSA-N 0 0 314.382 2.179 10 30 DEEERN C=CCN1CC(=O)N([C@@H](c2ccccc2)[C@H]2CCOC2)C1=O ZINC000372952292 276893930 /nfs/dbraw/zinc/89/39/30/276893930.db2.gz GWFAGNAZCXURNE-HOCLYGCPSA-N 0 0 300.358 2.214 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000288327006 277669690 /nfs/dbraw/zinc/66/96/90/277669690.db2.gz XXCVYINYGWRPQJ-SPUZQDLCSA-N 0 0 301.430 2.437 10 30 DEEERN C=CCCCN(C)C(=O)[C@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000345541142 277828813 /nfs/dbraw/zinc/82/88/13/277828813.db2.gz GIDNZTBXVHNFAP-LBPRGKRZSA-N 0 0 323.397 2.252 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)n1nnnc1C(C)(C)C ZINC000349838939 277842937 /nfs/dbraw/zinc/84/29/37/277842937.db2.gz LHCQYJQSQGCVFI-SECBINFHSA-N 0 0 319.331 2.109 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)C2(C(F)(F)F)CCCC2)C1=O ZINC000415627249 277857735 /nfs/dbraw/zinc/85/77/35/277857735.db2.gz RZKQDXFJSUDMLG-LLVKDONJSA-N 0 0 318.339 2.354 10 30 DEEERN C=CC[C@H](C)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000342364066 277886001 /nfs/dbraw/zinc/88/60/01/277886001.db2.gz VWSLPERHBQGNQK-NUTKFTJISA-N 0 0 316.401 2.295 10 30 DEEERN CC1(C)CCCC[C@@H]1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000365948504 278205185 /nfs/dbraw/zinc/20/51/85/278205185.db2.gz URSCCLPXFKVZFV-GJZGRUSLSA-N 0 0 304.438 2.337 10 30 DEEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188223206 279135753 /nfs/dbraw/zinc/13/57/53/279135753.db2.gz HGARKOAPLGGHPR-OAHLLOKOSA-N 0 0 321.384 2.141 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000449958427 279304926 /nfs/dbraw/zinc/30/49/26/279304926.db2.gz HVQCEPUCOWWJOV-UHFFFAOYSA-N 0 0 310.313 2.398 10 30 DEEERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc(C#N)cn1C ZINC000081535250 279923956 /nfs/dbraw/zinc/92/39/56/279923956.db2.gz NTSGNGJIUYVMSZ-GUYCJALGSA-N 0 0 309.369 2.499 10 30 DEEERN Cc1c(Cl)cnc(N2CCC[C@@]3(CNC(=O)C3)C2)c1C#N ZINC000408182286 280233645 /nfs/dbraw/zinc/23/36/45/280233645.db2.gz IQDZLOWNKAVXGF-OAHLLOKOSA-N 0 0 304.781 2.022 10 30 DEEERN Cc1c(NC(=O)c2cc(C#N)cn2C)n(C)nc1C(F)(F)F ZINC000186130707 280247010 /nfs/dbraw/zinc/24/70/10/280247010.db2.gz DHCKZRSOGNNWMV-UHFFFAOYSA-N 0 0 311.267 2.210 10 30 DEEERN CC(C)[C@H]1CCO[C@H]1C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000329246645 280391044 /nfs/dbraw/zinc/39/10/44/280391044.db2.gz AULLPLYABHZIEX-OUAUKWLOSA-N 0 0 322.327 2.167 10 30 DEEERN CC1(C)OCC[C@@H]1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000295203736 281409663 /nfs/dbraw/zinc/40/96/63/281409663.db2.gz FOVDEMMNAOVAKQ-LBPRGKRZSA-N 0 0 314.794 2.057 10 30 DEEERN CCc1nc(CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)cs1 ZINC000328626344 281498857 /nfs/dbraw/zinc/49/88/57/281498857.db2.gz LPILKZILVJYPMS-SECBINFHSA-N 0 0 306.391 2.437 10 30 DEEERN C[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)CO1 ZINC000248754259 297074365 /nfs/dbraw/zinc/07/43/65/297074365.db2.gz PGENTVVYZJLYON-CPUCHLNUSA-N 0 0 313.401 2.163 10 30 DEEERN N#C[C@@H](NC(=O)CCC(=O)CCC(=O)c1cccs1)C1CC1 ZINC000108834906 294813443 /nfs/dbraw/zinc/81/34/43/294813443.db2.gz RUVRMKDSKSYMBF-CYBMUJFWSA-N 0 0 318.398 2.479 10 30 DEEERN Cc1cc(C)n([C@H](C)C(=O)N(CCC#N)CC(F)(F)F)n1 ZINC000080857981 301249429 /nfs/dbraw/zinc/24/94/29/301249429.db2.gz QDYOCOZRUCLWIF-LLVKDONJSA-N 0 0 302.300 2.366 10 30 DEEERN N#Cc1cc(F)c(C(=O)N2CC[C@H]3OCCC[C@H]3C2)c(F)c1 ZINC000163229557 303181886 /nfs/dbraw/zinc/18/18/86/303181886.db2.gz NQIQMHAGOKBPJD-SMDDNHRTSA-N 0 0 306.312 2.478 10 30 DEEERN N#Cc1cc(F)c(N2CCC[C@@H]2[C@H]2COCC[C@H]2O)c(F)c1 ZINC000408171534 303182186 /nfs/dbraw/zinc/18/21/86/303182186.db2.gz KNOCRSVCZSARHM-KCPJHIHWSA-N 0 0 308.328 2.203 10 30 DEEERN CC[C@@H]1CN(C(=O)NCCCCC#N)CCN1CC(F)F ZINC000179650552 331531386 /nfs/dbraw/zinc/53/13/86/331531386.db2.gz GVPODZVGNAHARM-GFCCVEGCSA-N 0 0 302.369 2.051 10 30 DEEERN Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)CC#N)C1 ZINC000408058637 331743607 /nfs/dbraw/zinc/74/36/07/331743607.db2.gz KXRQEXSILCTPBI-VIFPVBQESA-N 0 0 300.284 2.059 10 30 DEEERN C[C@@H]1C[C@H](CC(=O)N2CCN(C(=O)CC#N)CC2)CC(C)(C)C1 ZINC000408059779 331745292 /nfs/dbraw/zinc/74/52/92/331745292.db2.gz BZLXYSVBNGDUIU-HUUCEWRRSA-N 0 0 319.449 2.423 10 30 DEEERN C=CCn1nnnc1SCCOCCOc1ccccc1 ZINC000064655271 332943645 /nfs/dbraw/zinc/94/36/45/332943645.db2.gz SPGZIEJWPJOMMC-UHFFFAOYSA-N 0 0 306.391 2.047 10 30 DEEERN COC(=O)C[C@H]1CCCN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188824655 533712438 /nfs/dbraw/zinc/71/24/38/533712438.db2.gz DUMASAGLDAMCDV-OAHLLOKOSA-N 0 0 312.369 2.144 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)Cc1cccc(OC)c1 ZINC000582045349 333184983 /nfs/dbraw/zinc/18/49/83/333184983.db2.gz XJPXJMCAEVWSSQ-WQVCFCJDSA-N 0 0 304.390 2.269 10 30 DEEERN C=CCOCCNC(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000365015438 333334480 /nfs/dbraw/zinc/33/44/80/333334480.db2.gz QVFLBIOGGCEUDL-UHFFFAOYSA-N 0 0 302.334 2.369 10 30 DEEERN C=CCSCCNC(=O)N[C@@H](c1ccccc1F)[C@H](C)O ZINC000563229382 333492086 /nfs/dbraw/zinc/49/20/86/333492086.db2.gz DMWVCEFJHFBWLF-SMDDNHRTSA-N 0 0 312.410 2.466 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)OC ZINC000344083654 335216528 /nfs/dbraw/zinc/21/65/28/335216528.db2.gz JXYNCBFULGEUHJ-WFASDCNBSA-N 0 0 323.364 2.465 10 30 DEEERN C=CCCS(=O)(=O)N[C@H](CCC(C)(C)C)C(=O)OCC ZINC000344088359 335216785 /nfs/dbraw/zinc/21/67/85/335216785.db2.gz QIPMINPBTYLCGS-GFCCVEGCSA-N 0 0 305.440 2.240 10 30 DEEERN C#CCNC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)CC ZINC000022760401 336358010 /nfs/dbraw/zinc/35/80/10/336358010.db2.gz QRNTYOZZZAPRPN-ZFWWWQNUSA-N 0 0 302.374 2.077 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCO[C@]3(CCCOC3)C2)cc1 ZINC000358862587 336645386 /nfs/dbraw/zinc/64/53/86/336645386.db2.gz HOZCZLVGHHQMGG-GOSISDBHSA-N 0 0 317.385 2.273 10 30 DEEERN N#C[C@H]1CN(C(=O)[C@H]2CSc3ccccc32)CCN1C1CC1 ZINC000361477666 336758229 /nfs/dbraw/zinc/75/82/29/336758229.db2.gz JNRJOOHOGCWBRH-ZFWWWQNUSA-N 0 0 313.426 2.075 10 30 DEEERN C=CCOCCCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000173078958 337132044 /nfs/dbraw/zinc/13/20/44/337132044.db2.gz CPGWHQFTVYPDNT-CABCVRRESA-N 0 0 313.463 2.482 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1COc2ccc(F)cc2C1 ZINC000583809007 337335920 /nfs/dbraw/zinc/33/59/20/337335920.db2.gz ZBDNMMPWASRHNT-CQDKDKBSSA-N 0 0 320.364 2.020 10 30 DEEERN COc1cccc(S(=O)(=O)N(C)c2ccccc2C#N)c1 ZINC000584596428 337374153 /nfs/dbraw/zinc/37/41/53/337374153.db2.gz GWGNTMGYQFWTRW-UHFFFAOYSA-N 0 0 302.355 2.392 10 30 DEEERN C#CC[C@@H](Cc1cc(OC)c(OC)c(OC)c1)C(=O)OCC ZINC000584596230 337374165 /nfs/dbraw/zinc/37/41/65/337374165.db2.gz FOVBAXRQLRWHAH-ZDUSSCGKSA-N 0 0 306.358 2.458 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CCO[C@H](COCC)C1 ZINC000528293905 337799995 /nfs/dbraw/zinc/79/99/95/337799995.db2.gz HHBYSAFOMKRZJT-HNNXBMFYSA-N 0 0 322.453 2.294 10 30 DEEERN COc1ccc(CC(=O)N2CCC(C)(C#N)CC2)cc1[N+](=O)[O-] ZINC000542816180 337812325 /nfs/dbraw/zinc/81/23/25/337812325.db2.gz NJSFQQJBAHDKNG-UHFFFAOYSA-N 0 0 317.345 2.298 10 30 DEEERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)N[C@@H](C#N)C2CC2)C1 ZINC000174708503 340395004 /nfs/dbraw/zinc/39/50/04/340395004.db2.gz YQDIGGFQALMWKW-UPJWGTAASA-N 0 0 307.394 2.098 10 30 DEEERN N#CCCCCNC(=O)NCCc1csc(N2CCCC2)n1 ZINC000174725019 340395156 /nfs/dbraw/zinc/39/51/56/340395156.db2.gz YPEIZYJPYRVNMM-UHFFFAOYSA-N 0 0 321.450 2.279 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000517232303 340466116 /nfs/dbraw/zinc/46/61/16/340466116.db2.gz LJSLLBKRBVLUFI-HOCLYGCPSA-N 0 0 322.449 2.304 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCC[C@]2(C)C(=O)OC)cc1 ZINC000187657914 340521793 /nfs/dbraw/zinc/52/17/93/340521793.db2.gz WCONFSGIXAABIB-QGZVFWFLSA-N 0 0 303.358 2.419 10 30 DEEERN C=CCOc1cccc(NC(=O)NCc2cnn(CC)n2)c1 ZINC000528940089 340740205 /nfs/dbraw/zinc/74/02/05/340740205.db2.gz ULJWELFMIPARSN-UHFFFAOYSA-N 0 0 301.350 2.185 10 30 DEEERN CC#CCCNC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000543605554 341050910 /nfs/dbraw/zinc/05/09/10/341050910.db2.gz RZGGXLABJDSYOS-UHFFFAOYSA-N 0 0 306.163 2.469 10 30 DEEERN C=CCn1c(N(C)C[C@@H]2CCCCO2)nnc1[C@@]1(C)CCCO1 ZINC000564292836 341135180 /nfs/dbraw/zinc/13/51/80/341135180.db2.gz SHBLHUJKYABADK-WMLDXEAASA-N 0 0 320.437 2.495 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000545924233 341146381 /nfs/dbraw/zinc/14/63/81/341146381.db2.gz RTBZURLDSCUSFB-LBPRGKRZSA-N 0 0 315.373 2.279 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1cccc(NC(=O)COC)c1 ZINC000545924384 341146517 /nfs/dbraw/zinc/14/65/17/341146517.db2.gz IJBVADFJZFOPCU-ZDUSSCGKSA-N 0 0 304.390 2.490 10 30 DEEERN C=CCNS(=O)(=O)c1cccc(-c2nc([C@@H]3C[C@@H]3C)no2)c1 ZINC000547188782 341200463 /nfs/dbraw/zinc/20/04/63/341200463.db2.gz BHPARZHIVIOJLQ-GXFFZTMASA-N 0 0 319.386 2.324 10 30 DEEERN C=CCN1CC[C@H](N(C)Cc2c[nH]c(-c3ccccc3)n2)C1=O ZINC000547406713 341211561 /nfs/dbraw/zinc/21/15/61/341211561.db2.gz WXQIFPYWUFPRHB-INIZCTEOSA-N 0 0 310.401 2.295 10 30 DEEERN CC#CCCNC(=O)N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000548190407 341252413 /nfs/dbraw/zinc/25/24/13/341252413.db2.gz UXFFPHAXYHGPAP-CQSZACIVSA-N 0 0 305.378 2.005 10 30 DEEERN CC(C)[C@H]1OCCC[C@@H]1Nc1nccc(N(C)CCC#N)n1 ZINC000572548981 341467338 /nfs/dbraw/zinc/46/73/38/341467338.db2.gz ZPYXGEOGSFDBPD-DZGCQCFKSA-N 0 0 303.410 2.442 10 30 DEEERN C=CCn1cc(CNC(=O)Nc2nc(C(C)C)cs2)nn1 ZINC000565357765 341525096 /nfs/dbraw/zinc/52/50/96/341525096.db2.gz XEYILDGJDWGYHN-UHFFFAOYSA-N 0 0 306.395 2.366 10 30 DEEERN C=CCNC(=O)Nc1ccc(NC(=O)[C@@](C)(CC)CO)cc1 ZINC000572897765 341708621 /nfs/dbraw/zinc/70/86/21/341708621.db2.gz WESZZRLQJAMITP-INIZCTEOSA-N 0 0 305.378 2.341 10 30 DEEERN C[C@H](Nc1ncc(Br)cc1C#N)c1ncn(C)n1 ZINC000295124581 534030894 /nfs/dbraw/zinc/03/08/94/534030894.db2.gz XHYBQRVJDBCFRT-ZETCQYMHSA-N 0 0 307.155 2.017 10 30 DEEERN COc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(C)c1 ZINC000371620339 534107158 /nfs/dbraw/zinc/10/71/58/534107158.db2.gz HUVLONGTCLLJSX-AWEZNQCLSA-N 0 0 314.389 2.208 10 30 DEEERN C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000190313526 534200403 /nfs/dbraw/zinc/20/04/03/534200403.db2.gz WPNIBFYBOXFPQK-AEGPPILISA-N 0 0 308.403 2.128 10 30 DEEERN C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H]1CC(C)(C)C ZINC000407955653 534290401 /nfs/dbraw/zinc/29/04/01/534290401.db2.gz RYLGKRHATOEQHL-OLZOCXBDSA-N 0 0 301.456 2.223 10 30 DEEERN C[C@H](CC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCCCC1=O ZINC000328752522 534299235 /nfs/dbraw/zinc/29/92/35/534299235.db2.gz RMGXWRTZPDWNNX-CKEIUWERSA-N 0 0 324.421 2.072 10 30 DEEERN Cc1nc(C[C@H]2CCCN(C(=O)NCCCCC#N)C2)no1 ZINC000171448250 534413323 /nfs/dbraw/zinc/41/33/23/534413323.db2.gz AASCIDFAMHWXBP-CYBMUJFWSA-N 0 0 305.382 2.036 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N(CC)CC(C)C ZINC000453430535 534426915 /nfs/dbraw/zinc/42/69/15/534426915.db2.gz TZOSNUUOCUCNOR-UHFFFAOYSA-N 0 0 303.414 2.050 10 30 DEEERN CC(=O)N1Cc2ccc(NC(=O)c3ccc(C#N)nc3)cc2C1 ZINC000364174480 519637627 /nfs/dbraw/zinc/63/76/27/519637627.db2.gz GENXMNYLGVOICE-UHFFFAOYSA-N 0 0 306.325 2.068 10 30 DEEERN C=CCn1c(N(C)[C@H]2CCSC2)nnc1[C@@]1(C)CCCO1 ZINC000453436431 534443355 /nfs/dbraw/zinc/44/33/55/534443355.db2.gz HWYHHZVPWYHICG-SWLSCSKDSA-N 0 0 308.451 2.431 10 30 DEEERN C=CCC[C@@H](NC(=O)c1cnc2cnccc2c1)C(=O)OCC ZINC000456603191 534794545 /nfs/dbraw/zinc/79/45/45/534794545.db2.gz IJWHCHCAPOCJQV-CQSZACIVSA-N 0 0 313.357 2.258 10 30 DEEERN C=CCC[C@@H](NC(=O)c1oc(C2CC2)nc1C)C(=O)OCC ZINC000456603199 534796926 /nfs/dbraw/zinc/79/69/26/534796926.db2.gz ILGMGTPYIZICEQ-GFCCVEGCSA-N 0 0 306.362 2.488 10 30 DEEERN C=CCN(CCOC)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000190271047 526293765 /nfs/dbraw/zinc/29/37/65/526293765.db2.gz NANHAZOKPVVQCQ-UHFFFAOYSA-N 0 0 307.398 2.450 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000369844453 526315958 /nfs/dbraw/zinc/31/59/58/526315958.db2.gz CQCSHWNFGLXIAO-GOOCMWNKSA-N 0 0 317.385 2.078 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccnc2n[nH]nc21 ZINC000339265255 526340079 /nfs/dbraw/zinc/34/00/79/526340079.db2.gz OPFHJRFAWGJIGV-UHFFFAOYSA-N 0 0 323.356 2.190 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N(CC)CCC)cc2C1=O ZINC000339064912 526408086 /nfs/dbraw/zinc/40/80/86/526408086.db2.gz XKUIWXZUGDXENE-UHFFFAOYSA-N 0 0 300.358 2.341 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CCO[C@H](c2ccc(C)o2)C1 ZINC000159209521 526522391 /nfs/dbraw/zinc/52/23/91/526522391.db2.gz MJLZQWBYZZTHQN-INIZCTEOSA-N 0 0 306.406 2.386 10 30 DEEERN C#CCCCC(=O)N1CCCN(Cc2cnn(CCC)c2)CC1 ZINC000192114242 526678956 /nfs/dbraw/zinc/67/89/56/526678956.db2.gz VSKMMNDYKLBMLN-UHFFFAOYSA-N 0 0 316.449 2.131 10 30 DEEERN C#CCCCCC(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000375006685 526687358 /nfs/dbraw/zinc/68/73/58/526687358.db2.gz VUBRCWIKMGBERI-HNNXBMFYSA-N 0 0 303.406 2.130 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCC(COC)(C(=O)OCC)CC1 ZINC000366591885 526706175 /nfs/dbraw/zinc/70/61/75/526706175.db2.gz WIVHSWNRDDUGSX-AWEZNQCLSA-N 0 0 311.422 2.407 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CC[S@@](=O)C[C@@H]1c1cnn(CC)c1 ZINC000331117196 526708069 /nfs/dbraw/zinc/70/80/69/526708069.db2.gz DZZJQBFHGXLXIR-ZIACGZRISA-N 0 0 323.462 2.137 10 30 DEEERN C#CCCCS(=O)(=O)N1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000375321940 526719479 /nfs/dbraw/zinc/71/94/79/526719479.db2.gz XBDOGDJAYMGASE-GOEBONIOSA-N 0 0 307.415 2.192 10 30 DEEERN C=C(C)Cn1c(C2CC2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC000283478603 526724615 /nfs/dbraw/zinc/72/46/15/526724615.db2.gz BWDCQTUDTFMWJS-CQSZACIVSA-N 0 0 312.421 2.459 10 30 DEEERN CC(C)(C)[C@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C[C@@H]1O ZINC000408150062 526732072 /nfs/dbraw/zinc/73/20/72/526732072.db2.gz UBNHSWGRRFEQGD-GJZGRUSLSA-N 0 0 321.465 2.058 10 30 DEEERN C=CCOCCCC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000155997923 526740853 /nfs/dbraw/zinc/74/08/53/526740853.db2.gz LDBULBSFTCWWFL-AWEZNQCLSA-N 0 0 314.389 2.427 10 30 DEEERN N#Cc1ccncc1N[C@@H]1CCCN(c2ccccc2C(N)=O)C1 ZINC000364804214 526765037 /nfs/dbraw/zinc/76/50/37/526765037.db2.gz TWYZFXUZJOWINA-CQSZACIVSA-N 0 0 321.384 2.133 10 30 DEEERN C=CCOCCNC(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000369866857 526775370 /nfs/dbraw/zinc/77/53/70/526775370.db2.gz DGXOAPCOMIKTPK-JONQDZQNSA-N 0 0 310.438 2.160 10 30 DEEERN C=CCOCCNC(=O)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000370360785 526777509 /nfs/dbraw/zinc/77/75/09/526777509.db2.gz VWNSOJLYYJALAF-SFHVURJKSA-N 0 0 316.401 2.073 10 30 DEEERN C#CCN(C)C(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000191152848 526798701 /nfs/dbraw/zinc/79/87/01/526798701.db2.gz SPZKMKHPVXNAIH-CQSZACIVSA-N 0 0 306.793 2.186 10 30 DEEERN C=C(C)[C@H](CC(=O)N(C)c1ncc(C(=O)OC)s1)OCC ZINC000339436822 526805567 /nfs/dbraw/zinc/80/55/67/526805567.db2.gz HVYFKCKWIOFTGX-JTQLQIEISA-N 0 0 312.391 2.264 10 30 DEEERN C=CCOC[C@H]1NC(=O)N(c2ccc(CCC(C)C)cn2)C1=O ZINC000414359559 526816323 /nfs/dbraw/zinc/81/63/23/526816323.db2.gz FDRNRAPLLVVBKN-CQSZACIVSA-N 0 0 317.389 2.298 10 30 DEEERN CC(C)(C)c1nc(S(=O)(=O)Cc2ccc(C#N)c(F)c2)n[nH]1 ZINC000195173067 526849580 /nfs/dbraw/zinc/84/95/80/526849580.db2.gz RUZNRBIXUNZAKE-UHFFFAOYSA-N 0 0 322.365 2.087 10 30 DEEERN C=CCOc1ccc(CC(=O)NCC2(C)OCCCO2)cc1 ZINC000295755139 526857151 /nfs/dbraw/zinc/85/71/51/526857151.db2.gz REOXDQCEHKEBIG-UHFFFAOYSA-N 0 0 305.374 2.063 10 30 DEEERN C=CCOc1ccc(CN2CCN3CCOC[C@@H]3C2)cc1Cl ZINC000368814609 526870020 /nfs/dbraw/zinc/87/00/20/526870020.db2.gz UQOLUOGPVLYYIS-HNNXBMFYSA-N 0 0 322.836 2.421 10 30 DEEERN C=CCOc1ccc(CN2CCS(=O)(=O)C[C@@H](C)C2)cc1 ZINC000433020549 526870196 /nfs/dbraw/zinc/87/01/96/526870196.db2.gz NXJRHDIIFPPROQ-AWEZNQCLSA-N 0 0 309.431 2.118 10 30 DEEERN C=C(CNC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccccc1 ZINC000376689230 526874085 /nfs/dbraw/zinc/87/40/85/526874085.db2.gz ROEDKPHZHVQAIZ-DAXOMENPSA-N 0 0 313.401 2.008 10 30 DEEERN C=CC1CCN(C(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)CC1 ZINC000110368009 526972288 /nfs/dbraw/zinc/97/22/88/526972288.db2.gz LBAWHSSWUZFFOO-INIZCTEOSA-N 0 0 315.417 2.261 10 30 DEEERN CC(C)(CCC#N)CNC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000358697676 526988608 /nfs/dbraw/zinc/98/86/08/526988608.db2.gz SICFKXZXPPRYEE-CYBMUJFWSA-N 0 0 321.343 2.415 10 30 DEEERN C=CC[C@@H](C)NC(=O)NCc1ncn(Cc2cccc(F)c2)n1 ZINC000444104605 527025909 /nfs/dbraw/zinc/02/59/09/527025909.db2.gz LJYLAHLCTCLANC-GFCCVEGCSA-N 0 0 317.368 2.229 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@@H]1C[C@H](OCC)[C@H]1n1cccn1 ZINC000342027179 527031123 /nfs/dbraw/zinc/03/11/23/527031123.db2.gz PWNVELPLRJHWKP-PMPSAXMXSA-N 0 0 303.406 2.486 10 30 DEEERN C=CCC(F)(F)C(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000295436047 527035475 /nfs/dbraw/zinc/03/54/75/527035475.db2.gz UDZUZLXRINFHSK-BDAKNGLRSA-N 0 0 301.255 2.360 10 30 DEEERN C=CCC1(C(=O)NCc2cccc(N(C)C)n2)CCOCC1 ZINC000424780849 527056384 /nfs/dbraw/zinc/05/63/84/527056384.db2.gz XVHMEUDXNJPMPG-UHFFFAOYSA-N 0 0 303.406 2.137 10 30 DEEERN C=CCC1(C(=O)NCc2nnc(C3CCC3)n2C)CCOCC1 ZINC000424769771 527056550 /nfs/dbraw/zinc/05/65/50/527056550.db2.gz ZAEDTWYPIBSTCK-UHFFFAOYSA-N 0 0 318.421 2.072 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@H](C)c1c(F)cccc1OC ZINC000341850085 527066863 /nfs/dbraw/zinc/06/68/63/527066863.db2.gz WXUAQPYKSIVZPW-VXGBXAGGSA-N 0 0 310.369 2.379 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC ZINC000337069686 527098142 /nfs/dbraw/zinc/09/81/42/527098142.db2.gz MFNKVVMAYBHLMX-STQMWFEESA-N 0 0 316.405 2.378 10 30 DEEERN C#CCOc1ccccc1CN1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246892366 527126233 /nfs/dbraw/zinc/12/62/33/527126233.db2.gz UCKBIRYWPBGABP-JENIJYKNSA-N 0 0 315.413 2.467 10 30 DEEERN C=CCCCCNC(=O)N1CCCN(c2cccnn2)CC1 ZINC000368808920 527150494 /nfs/dbraw/zinc/15/04/94/527150494.db2.gz DGNNUGCEWUSWKS-UHFFFAOYSA-N 0 0 303.410 2.055 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000367759430 527173528 /nfs/dbraw/zinc/17/35/28/527173528.db2.gz GNLGKWLBCABQMI-SJORKVTESA-N 0 0 322.412 2.201 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@H](C)Oc1cccc(C)c1 ZINC000288062120 527176704 /nfs/dbraw/zinc/17/67/04/527176704.db2.gz NNYKISCNDLGGJP-HNNXBMFYSA-N 0 0 318.417 2.303 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](C)COc1cccc(C)c1 ZINC000285539524 527178869 /nfs/dbraw/zinc/17/88/69/527178869.db2.gz PNKBZJGMRLCLKJ-OAHLLOKOSA-N 0 0 318.417 2.303 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cccc(C(=O)NCC=C)c1 ZINC000122479993 527194257 /nfs/dbraw/zinc/19/42/57/527194257.db2.gz CHGLFFKELIWYCO-UHFFFAOYSA-N 0 0 322.430 2.189 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000248692912 527198525 /nfs/dbraw/zinc/19/85/25/527198525.db2.gz YEHJQQQSKBHZEI-OIISXLGYSA-N 0 0 318.417 2.391 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000183013187 527202547 /nfs/dbraw/zinc/20/25/47/527202547.db2.gz HNCUJGCTPUJYDG-OAHLLOKOSA-N 0 0 319.405 2.227 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000185820050 527204116 /nfs/dbraw/zinc/20/41/16/527204116.db2.gz SCXBOANZCRMBQJ-ZBFHGGJFSA-N 0 0 302.374 2.015 10 30 DEEERN C=CCCCNC(=O)C(=O)NCc1cc(F)ccc1SC ZINC000360406931 527207159 /nfs/dbraw/zinc/20/71/59/527207159.db2.gz MDQAODVUOODVBF-UHFFFAOYSA-N 0 0 310.394 2.246 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000339734303 527207960 /nfs/dbraw/zinc/20/79/60/527207960.db2.gz CSFOQOLVNVDXJD-LLVKDONJSA-N 0 0 308.353 2.094 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1csc(-c2ccccn2)n1 ZINC000448378208 527210354 /nfs/dbraw/zinc/21/03/54/527210354.db2.gz UXZDNCXFJHEJMB-UHFFFAOYSA-N 0 0 316.386 2.226 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccnn1-c1ccccc1C ZINC000448377241 527211253 /nfs/dbraw/zinc/21/12/53/527211253.db2.gz RNZOUONQFCNFNK-UHFFFAOYSA-N 0 0 312.373 2.202 10 30 DEEERN C#C[C@@H](C)NC(=O)[C@H]1CCCCN1C(=O)c1cc(C)cc(C)c1 ZINC000368378270 527226546 /nfs/dbraw/zinc/22/65/46/527226546.db2.gz YDBDBHKFOWPMLX-NVXWUHKLSA-N 0 0 312.413 2.436 10 30 DEEERN C=CCCCNS(=O)(=O)c1cc(C(=O)OC)cc(C)c1C ZINC000447937499 527234609 /nfs/dbraw/zinc/23/46/09/527234609.db2.gz BDYCXTIOTCSYSW-UHFFFAOYSA-N 0 0 311.403 2.335 10 30 DEEERN C=CCc1ccc(OCC(=O)NCC2(CCO)CC2)c(OC)c1 ZINC000188007302 527251598 /nfs/dbraw/zinc/25/15/98/527251598.db2.gz RFIPFPXNMXIWAZ-UHFFFAOYSA-N 0 0 319.401 2.081 10 30 DEEERN C=CCn1c(C(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000337900777 527291626 /nfs/dbraw/zinc/29/16/26/527291626.db2.gz IQQBJVZEZIQVDM-CQSZACIVSA-N 0 0 319.453 2.329 10 30 DEEERN C=CCn1c(C2CCC2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC000282129899 527308026 /nfs/dbraw/zinc/30/80/26/527308026.db2.gz ANJRHFNIYBGDJC-ZDUSSCGKSA-N 0 0 304.394 2.121 10 30 DEEERN C=CCn1c(Cc2ccsc2)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000337810911 527328300 /nfs/dbraw/zinc/32/83/00/527328300.db2.gz KWKUDLXXMLYJCR-OKILXGFUSA-N 0 0 316.430 2.484 10 30 DEEERN C=CCCOCCNC(=O)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000342007841 527339988 /nfs/dbraw/zinc/33/99/88/527339988.db2.gz RHOUPCNAMVEIML-GOSISDBHSA-N 0 0 320.433 2.044 10 30 DEEERN C=CCCOCCNC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000372404227 527360662 /nfs/dbraw/zinc/36/06/62/527360662.db2.gz KIAXEWMPHIPGDY-CYBMUJFWSA-N 0 0 305.422 2.347 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCC(c2nnc(CC)[nH]2)CC1 ZINC000191533733 527371210 /nfs/dbraw/zinc/37/12/10/527371210.db2.gz BTQKDWXSZCNJQM-LBPRGKRZSA-N 0 0 306.410 2.054 10 30 DEEERN CC(=O)c1cccc(OC[C@@H](O)CN(C[C@@H](C)C#N)C2CC2)c1 ZINC000338364454 527377237 /nfs/dbraw/zinc/37/72/37/527377237.db2.gz ZEKHJNPVTAFFBL-GUYCJALGSA-N 0 0 316.401 2.253 10 30 DEEERN C=CCC[C@@H](C(=O)N1CC[C@@H](C(=O)NC)C1)c1ccccc1 ZINC000421651286 527421895 /nfs/dbraw/zinc/42/18/95/527421895.db2.gz JVXABRPUDCSULO-HZPDHXFCSA-N 0 0 300.402 2.331 10 30 DEEERN C#Cc1ccccc1CC(=O)N(CC(=O)OCC)C(C)(C)C ZINC000292373470 527459162 /nfs/dbraw/zinc/45/91/62/527459162.db2.gz QNLHMWNEDYAHMM-UHFFFAOYSA-N 0 0 301.386 2.401 10 30 DEEERN C=CCC[C@H](NC(=O)N1CCO[C@@H]([C@H](C)O)C1)c1ccccc1 ZINC000413402977 527476565 /nfs/dbraw/zinc/47/65/65/527476565.db2.gz OBCXFZZJJAUDFT-BHYGNILZSA-N 0 0 318.417 2.485 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CCCN(C(=O)C(C)(C)C)CC1 ZINC000372460466 527527701 /nfs/dbraw/zinc/52/77/01/527527701.db2.gz QKEKKUXWRMVFIH-SFHVURJKSA-N 0 0 324.465 2.322 10 30 DEEERN C=CCCn1cc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000424755932 527527653 /nfs/dbraw/zinc/52/76/53/527527653.db2.gz PAOGLBQDPATLAI-LLVKDONJSA-N 0 0 315.333 2.253 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000354115396 527530163 /nfs/dbraw/zinc/53/01/63/527530163.db2.gz RFJOPRQHUDVSAM-DYVFJYSZSA-N 0 0 305.374 2.171 10 30 DEEERN CC(C)(C)C(=O)NCCNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180091012 527595089 /nfs/dbraw/zinc/59/50/89/527595089.db2.gz AMINUTKETOWBSQ-UHFFFAOYSA-N 0 0 313.401 2.134 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N[C@H](C)CCc1ccc(C)o1 ZINC000359268220 527602394 /nfs/dbraw/zinc/60/23/94/527602394.db2.gz UULKZIDEVOWTAW-CYBMUJFWSA-N 0 0 304.390 2.226 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCC(c2nnc(CC)[nH]2)CC1 ZINC000191598262 527615898 /nfs/dbraw/zinc/61/58/98/527615898.db2.gz WBSTZLGNDUKESP-QGZVFWFLSA-N 0 0 320.437 2.302 10 30 DEEERN CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000408333423 527641834 /nfs/dbraw/zinc/64/18/34/527641834.db2.gz DYHILDATLHTPFY-JHJVBQTASA-N 0 0 323.462 2.133 10 30 DEEERN CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)C12CCCC2 ZINC000330005043 527791348 /nfs/dbraw/zinc/79/13/48/527791348.db2.gz BOIIHCMFKXGBML-KHMAMNHCSA-N 0 0 308.422 2.215 10 30 DEEERN CCOc1ccncc1S(=O)(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000296217713 528766139 /nfs/dbraw/zinc/76/61/39/528766139.db2.gz MQFMXCBSYFGFTB-AWEZNQCLSA-N 0 0 323.418 2.183 10 30 DEEERN CC(C)[C@@](C)(C#N)NC(=O)CN1CCO[C@@H](c2cccs2)C1 ZINC000247638534 528851029 /nfs/dbraw/zinc/85/10/29/528851029.db2.gz VKYHFOGMMWFUCK-CZUORRHYSA-N 0 0 321.446 2.176 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(F)cc1C#N ZINC000248864695 536552191 /nfs/dbraw/zinc/55/21/91/536552191.db2.gz SRHNGMJUSGEGNR-MAZHCROVSA-N 0 0 302.349 2.471 10 30 DEEERN C=C[C@H](C)OC(=O)CSc1nncn1-c1ccc(OC)cc1 ZINC000187618672 622848339 /nfs/dbraw/zinc/84/83/39/622848339.db2.gz BNMIBJIKBIDOTI-NSHDSACASA-N 0 0 319.386 2.486 10 30 DEEERN C#CCN(CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1)C1CCCC1 ZINC000255054433 623175281 /nfs/dbraw/zinc/17/52/81/623175281.db2.gz VPVDMDUQDKVWTH-CQSZACIVSA-N 0 0 314.433 2.092 10 30 DEEERN C#CCCS(=O)(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000288380490 623184246 /nfs/dbraw/zinc/18/42/46/623184246.db2.gz OVZZHUMBOBFYIK-UHFFFAOYSA-N 0 0 323.414 2.085 10 30 DEEERN C[C@@H](C#N)NS(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000255268077 624069210 /nfs/dbraw/zinc/06/92/10/624069210.db2.gz WWYLIPPUZPPJKI-NMTCXDENSA-N 0 0 315.192 2.251 10 30 DEEERN C#CCCCOC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000255345503 624183595 /nfs/dbraw/zinc/18/35/95/624183595.db2.gz PMIGXFYBAPHAPA-FLIBITNWSA-N 0 0 307.371 2.028 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cccc(F)c2Cl)CCN1C1CC1 ZINC000742665326 624647197 /nfs/dbraw/zinc/64/71/97/624647197.db2.gz MQIGUZXIXRTMMI-NSHDSACASA-N 0 0 307.756 2.291 10 30 DEEERN Cc1ccc2[nH]cc(CCC(=O)[C@@H](C#N)C(=O)NC3CC3)c2c1 ZINC000177600669 625026268 /nfs/dbraw/zinc/02/62/68/625026268.db2.gz OHCFFUCLLNUXGC-OAHLLOKOSA-N 0 0 309.369 2.396 10 30 DEEERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2cc(C#N)ccc2F)C1 ZINC000888077648 625056010 /nfs/dbraw/zinc/05/60/10/625056010.db2.gz NISXWOFZDBQWPM-UKRRQHHQSA-N 0 0 300.337 2.382 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)c1ccc(C)nc1C ZINC000066288950 625074357 /nfs/dbraw/zinc/07/43/57/625074357.db2.gz GKGLLPDPAZWGLW-UHFFFAOYSA-N 0 0 307.353 2.314 10 30 DEEERN CC(=O)N1CCC[C@@H](C(=O)OC[C@@H](C#N)Cc2cccs2)C1 ZINC000180109669 625175914 /nfs/dbraw/zinc/17/59/14/625175914.db2.gz SYWSCIFHOMCEFL-ZIAGYGMSSA-N 0 0 320.414 2.232 10 30 DEEERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C#N)C1CC1 ZINC000161920612 625247867 /nfs/dbraw/zinc/24/78/67/625247867.db2.gz CUDPVQVRPOKDRO-RCBQFDQVSA-N 0 0 313.401 2.249 10 30 DEEERN COc1ccc(/C=C2\N=C(c3cccnc3)OC2=O)cc1C#N ZINC000255777416 625723743 /nfs/dbraw/zinc/72/37/43/625723743.db2.gz VZOVHDYVXQUIKY-ZSOIEALJSA-N 0 0 305.293 2.306 10 30 DEEERN CC(C)(CCC#N)COC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000195069068 625771789 /nfs/dbraw/zinc/77/17/89/625771789.db2.gz RMQCYBATJJAXFK-NHYWBVRUSA-N 0 0 310.419 2.314 10 30 DEEERN CCN(CCC#N)C(=O)CN1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000121438693 649989222 /nfs/dbraw/zinc/98/92/22/649989222.db2.gz QLKZBUCYXBZSOB-GFCCVEGCSA-N 0 0 316.361 2.108 10 30 DEEERN CC[C@H](Oc1ccccc1C(C)C)C(=O)OCC(=O)NCC#N ZINC000733551799 633224307 /nfs/dbraw/zinc/22/43/07/633224307.db2.gz ZPGLPDYYPIHFDT-AWEZNQCLSA-N 0 0 318.373 2.150 10 30 DEEERN C[C@@H](CC#N)NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000194646851 633300582 /nfs/dbraw/zinc/30/05/82/633300582.db2.gz XRPUQBYWMKMMAT-QMMMGPOBSA-N 0 0 320.292 2.012 10 30 DEEERN C=C(COC(=O)c1ccc(OCC)c([N+](=O)[O-])c1)C(=O)OCC ZINC000734026880 633312854 /nfs/dbraw/zinc/31/28/54/633312854.db2.gz COFUVXUEEHXBQF-UHFFFAOYSA-N 0 0 323.301 2.270 10 30 DEEERN C=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)OCC ZINC000734029344 633312907 /nfs/dbraw/zinc/31/29/07/633312907.db2.gz LSBXDQCBPUFKSI-UHFFFAOYSA-N 0 0 318.285 2.352 10 30 DEEERN C=C(COC(=O)c1cnc(-c2ccccc2)nc1)C(=O)OCC ZINC000734028054 633312992 /nfs/dbraw/zinc/31/29/92/633312992.db2.gz CSOVJVMXOXNLFK-UHFFFAOYSA-N 0 0 312.325 2.420 10 30 DEEERN C=C(COC(=O)c1cnc(-c2ccccn2)s1)C(=O)OCC ZINC000734029670 633313190 /nfs/dbraw/zinc/31/31/90/633313190.db2.gz LLKTYNFUCHJRSH-UHFFFAOYSA-N 0 0 318.354 2.481 10 30 DEEERN C=C(COC(=O)c1ccc(-n2cccc2)cc1O)C(=O)OCC ZINC000734031445 633313650 /nfs/dbraw/zinc/31/36/50/633313650.db2.gz VTEUTNTVBBNJLR-UHFFFAOYSA-N 0 0 315.325 2.459 10 30 DEEERN N#CCOc1ccc(Cl)cc1COC(=O)Cn1cccn1 ZINC000735338474 633503630 /nfs/dbraw/zinc/50/36/30/633503630.db2.gz YROZTUSBKZOGEL-UHFFFAOYSA-N 0 0 305.721 2.182 10 30 DEEERN C#CCOc1cccc([C@H](C)OC(=O)COC2CCOCC2)c1 ZINC000735400540 633507138 /nfs/dbraw/zinc/50/71/38/633507138.db2.gz UJGGUXKXGPLUNK-AWEZNQCLSA-N 0 0 318.369 2.498 10 30 DEEERN CC(C)(C)c1ccc(OCC(=O)[C@H](C#N)C(=O)NC2CC2)cc1 ZINC000129115042 636361269 /nfs/dbraw/zinc/36/12/69/636361269.db2.gz GBMPWJXGLUEVDW-HNNXBMFYSA-N 0 0 314.385 2.350 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)OCc3ccncc3)cc2C1=O ZINC000726384992 636428185 /nfs/dbraw/zinc/42/81/85/636428185.db2.gz OYMKSUIERIDTIK-UHFFFAOYSA-N 0 0 322.320 2.221 10 30 DEEERN C#Cc1cccc(NC(=S)N2CCN(C(=O)C(C)C)CC2)c1 ZINC000726441326 636433473 /nfs/dbraw/zinc/43/34/73/636433473.db2.gz MIUJJBCEMXYRGC-UHFFFAOYSA-N 0 0 315.442 2.165 10 30 DEEERN C=C(C)CNC(=S)N1CCC(NC(=O)c2ccoc2C)CC1 ZINC000727285438 637814620 /nfs/dbraw/zinc/81/46/20/637814620.db2.gz HCRCKKYCTHCCLQ-UHFFFAOYSA-N 0 0 321.446 2.233 10 30 DEEERN CS(=O)(=O)[C@@H]1CCCCC1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000741451537 637983282 /nfs/dbraw/zinc/98/32/82/637983282.db2.gz RDPCPTYLRSIVHG-CYBMUJFWSA-N 0 0 311.363 2.350 10 30 DEEERN Cc1ccc(CN(C)c2ccc(S(N)(=O)=O)cc2C#N)cc1 ZINC000742177391 638041815 /nfs/dbraw/zinc/04/18/15/638041815.db2.gz FAZWOLRNZLTMBH-UHFFFAOYSA-N 0 0 315.398 2.151 10 30 DEEERN NC(=O)COc1ccc(CN=Nc2cccc(F)c2F)cc1 ZINC000743442716 638146420 /nfs/dbraw/zinc/14/64/20/638146420.db2.gz DBSLUWKGOWOUAL-UHFFFAOYSA-N 0 0 305.284 2.275 10 30 DEEERN C=CCNC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000744031226 638186479 /nfs/dbraw/zinc/18/64/79/638186479.db2.gz UNLDMAPBUGKPKC-WCFLWFBJSA-N 0 0 304.296 2.079 10 30 DEEERN C#Cc1cccc(N(CC(=O)NC)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC000746271936 638328394 /nfs/dbraw/zinc/32/83/94/638328394.db2.gz QIAACMGGPPPDPI-VQFNDLOPSA-N 0 0 310.397 2.183 10 30 DEEERN C=C(C)[C@H](CO)S(=O)(=O)c1ccc(Br)cc1 ZINC000804928155 638363400 /nfs/dbraw/zinc/36/34/00/638363400.db2.gz OELSEVDGHMAFRL-NSHDSACASA-N 0 0 305.193 2.160 10 30 DEEERN COc1ccc(CNC(=O)NCCc2ccc(C)nc2)cc1C#N ZINC000746725737 638373754 /nfs/dbraw/zinc/37/37/54/638373754.db2.gz NXAQYRNNWWCKDR-UHFFFAOYSA-N 0 0 324.384 2.312 10 30 DEEERN COc1ccc(CNC(=O)NC[C@@H](OC)C(C)C)cc1C#N ZINC000746748575 638374621 /nfs/dbraw/zinc/37/46/21/638374621.db2.gz SPKMDEQSCYXBMN-OAHLLOKOSA-N 0 0 305.378 2.037 10 30 DEEERN COc1ccc(CNC(=O)N2CCOC(C)(C)[C@H]2C)cc1C#N ZINC000746781547 638377780 /nfs/dbraw/zinc/37/77/80/638377780.db2.gz OIEZBYALKFEYIB-GFCCVEGCSA-N 0 0 317.389 2.276 10 30 DEEERN COc1ccc(CNC(=O)/C=C/C2CCOCC2)cc1C#N ZINC000746878545 638383761 /nfs/dbraw/zinc/38/37/61/638383761.db2.gz XNPPNDSFITULIR-HWKANZROSA-N 0 0 300.358 2.166 10 30 DEEERN COc1ccc(CNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1C#N ZINC000747063777 638403359 /nfs/dbraw/zinc/40/33/59/638403359.db2.gz HLINGNJKQGBWEO-UHFFFAOYSA-N 0 0 322.324 2.079 10 30 DEEERN C#CC[C@H](OC(=O)Cc1nn(C)c(=O)c2ccccc12)C(C)C ZINC000747192405 638416530 /nfs/dbraw/zinc/41/65/30/638416530.db2.gz CYIPIZGSKNJKHR-INIZCTEOSA-N 0 0 312.369 2.067 10 30 DEEERN CC[C@H]1CO[C@@H](C)CN1C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747421673 638436281 /nfs/dbraw/zinc/43/62/81/638436281.db2.gz HJZIHMQGYVVKFY-WFASDCNBSA-N 0 0 317.389 2.276 10 30 DEEERN CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747429802 638436586 /nfs/dbraw/zinc/43/65/86/638436586.db2.gz AIGHNVBGUOMHBO-HNNXBMFYSA-N 0 0 317.389 2.277 10 30 DEEERN CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000747968300 638495978 /nfs/dbraw/zinc/49/59/78/638495978.db2.gz WTIGEHAEWPHQQY-LLVKDONJSA-N 0 0 309.797 2.056 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)Cn1cccn1 ZINC000804950525 638498464 /nfs/dbraw/zinc/49/84/64/638498464.db2.gz DWOAWPHIFZVYGE-RDJZCZTQSA-N 0 0 310.401 2.205 10 30 DEEERN C=CCOCC(=O)OC[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000749076554 638613664 /nfs/dbraw/zinc/61/36/64/638613664.db2.gz UMKKIWGPYCCDTI-OAHLLOKOSA-N 0 0 317.385 2.285 10 30 DEEERN C#CCNC(=O)CN[C@@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000749265223 638630174 /nfs/dbraw/zinc/63/01/74/638630174.db2.gz CIJATIMEMJFELK-FQEVSTJZSA-N 0 0 322.408 2.432 10 30 DEEERN N#Cc1cc(S(N)(=O)=O)ccc1NCC1(C2CC2)CCC1 ZINC000751936581 639137890 /nfs/dbraw/zinc/13/78/90/639137890.db2.gz DCNITOQQVPXIGQ-UHFFFAOYSA-N 0 0 305.403 2.198 10 30 DEEERN C#CCN(CC#C)S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000751970536 639142459 /nfs/dbraw/zinc/14/24/59/639142459.db2.gz ALBWPBAQKUSCLU-UHFFFAOYSA-N 0 0 305.399 2.039 10 30 DEEERN N#Cc1cc(S(=O)(=O)Oc2ccc3c(c2)OCO3)ccc1F ZINC000728575165 639260698 /nfs/dbraw/zinc/26/06/98/639260698.db2.gz MOARCCVXJDLBLR-UHFFFAOYSA-N 0 0 321.285 2.194 10 30 DEEERN C=CCOC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 ZINC000728726817 639296891 /nfs/dbraw/zinc/29/68/91/639296891.db2.gz YGSVFLPZIJBEST-UHFFFAOYSA-N 0 0 324.333 2.297 10 30 DEEERN C#Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)nc1 ZINC000728809361 639428962 /nfs/dbraw/zinc/42/89/62/639428962.db2.gz JUSKRUSLNKSCNS-CABCVRRESA-N 0 0 316.426 2.190 10 30 DEEERN Cc1sc(=O)n(CC(=O)OCC#Cc2ccccc2)c1C ZINC000121553355 639508889 /nfs/dbraw/zinc/50/88/89/639508889.db2.gz CYYKXJRHWLEEBN-UHFFFAOYSA-N 0 0 301.367 2.122 10 30 DEEERN C#CCCCS(=O)(=O)N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000805095253 639633232 /nfs/dbraw/zinc/63/32/32/639633232.db2.gz SSWYMHGDGWKSGY-CQSZACIVSA-N 0 0 311.378 2.154 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)(C)C ZINC000805146858 639840950 /nfs/dbraw/zinc/84/09/50/639840950.db2.gz NZJCZEHORVYXIH-HNNXBMFYSA-N 0 0 323.414 2.174 10 30 DEEERN C=C[C@@H](C)NC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805196072 640155831 /nfs/dbraw/zinc/15/58/31/640155831.db2.gz LIIDBPQRQCEEMJ-VLEAKVRGSA-N 0 0 321.343 2.048 10 30 DEEERN C#CCN(C(=O)C[C@H](C)CC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000729334182 640486971 /nfs/dbraw/zinc/48/69/71/640486971.db2.gz JQMNLHRXCYZUDV-UONOGXRCSA-N 0 0 313.463 2.098 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C#C)[C@H]1CCCO1 ZINC000805306724 640780807 /nfs/dbraw/zinc/78/08/07/640780807.db2.gz ZSRLGZKJKMVSOC-FGTMMUONSA-N 0 0 310.397 2.101 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCOC(C)(C)C1 ZINC000805781109 643246158 /nfs/dbraw/zinc/24/61/58/643246158.db2.gz UNZLTKVCMMZAMM-MRXNPFEDSA-N 0 0 300.402 2.441 10 30 DEEERN Cc1cc([C@@H]2CCCN(C(=O)c3cccc(C#CCO)c3)C2)[nH]n1 ZINC000908040717 644731960 /nfs/dbraw/zinc/73/19/60/644731960.db2.gz BXBAEMMLMOVABH-QGZVFWFLSA-N 0 0 323.396 2.082 10 30 DEEERN C=CCS(=O)(=O)CCN[C@H](C)c1cnn(C2CCCC2)c1 ZINC000800488777 645280328 /nfs/dbraw/zinc/28/03/28/645280328.db2.gz OUSCVZPLNBDRMS-CYBMUJFWSA-N 0 0 311.451 2.250 10 30 DEEERN C#C[C@H](NC(=O)N1CC[C@@](F)(c2ccccc2)C1)[C@H]1CCCO1 ZINC000801052297 645335501 /nfs/dbraw/zinc/33/55/01/645335501.db2.gz ZXHXMRLFISVPBO-JZXOWHBKSA-N 0 0 316.376 2.448 10 30 DEEERN C=CCN(C)c1nnc(CCOc2ccccc2)n1CCOC ZINC000802341264 645517609 /nfs/dbraw/zinc/51/76/09/645517609.db2.gz FCGZFMIIEDRSTD-UHFFFAOYSA-N 0 0 316.405 2.168 10 30 DEEERN C=C[C@](C)(CC)COC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000802796147 645560390 /nfs/dbraw/zinc/56/03/90/645560390.db2.gz DXWLNJKGTGYVOG-SWLSCSKDSA-N 0 0 318.435 2.114 10 30 DEEERN C=C[C@@H](OC(=O)[C@H](C)S(=O)(=O)C1CCOCC1)C(C)(C)C ZINC000802835284 645565353 /nfs/dbraw/zinc/56/53/53/645565353.db2.gz DJUIMFVIMKPIMS-WCQYABFASA-N 0 0 318.435 2.113 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)NCCC1=CCCCC1 ZINC000803699323 645681522 /nfs/dbraw/zinc/68/15/22/645681522.db2.gz ZAHRBXBUDVNSGR-UHFFFAOYSA-N 0 0 301.386 2.199 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cc(F)cc2n[nH]nc21 ZINC000804456394 645774154 /nfs/dbraw/zinc/77/41/54/645774154.db2.gz XUKIJYABYVVQQX-CQSZACIVSA-N 0 0 322.343 2.461 10 30 DEEERN C#CCC1(C(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)CCCCC1 ZINC000804544090 645788530 /nfs/dbraw/zinc/78/85/30/645788530.db2.gz GHGHDXBXHSIHPM-CYBMUJFWSA-N 0 0 311.447 2.042 10 30 DEEERN C#Cc1cncc(C(=O)N2CCCC[C@@H]2C(=O)OC(C)(C)C)c1 ZINC000807168362 645918010 /nfs/dbraw/zinc/91/80/10/645918010.db2.gz VSPVYKFPIPCGSA-OAHLLOKOSA-N 0 0 314.385 2.399 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](CO)CC=C ZINC000807465311 645953189 /nfs/dbraw/zinc/95/31/89/645953189.db2.gz ATKZKUPKSJZXLU-IRXDYDNUSA-N 0 0 300.402 2.105 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]([C@H](C)O)C1 ZINC000807471136 645955597 /nfs/dbraw/zinc/95/55/97/645955597.db2.gz YPOOFTOXMNZQFH-CGTJXYLNSA-N 0 0 314.429 2.423 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](O)[C@@H](C)C1 ZINC000807471287 645955640 /nfs/dbraw/zinc/95/56/40/645955640.db2.gz WODYPWINLGFYSJ-UAGQMJEPSA-N 0 0 300.402 2.033 10 30 DEEERN C#CCOc1ccc(NC(=O)C(=O)NCCC2(F)CCC2)cc1 ZINC000807490619 645957796 /nfs/dbraw/zinc/95/77/96/645957796.db2.gz HYNGQMLWIWSCAP-UHFFFAOYSA-N 0 0 318.348 2.036 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CCCc2nc(C)sc21 ZINC000807646175 645974187 /nfs/dbraw/zinc/97/41/87/645974187.db2.gz XFUFXURBENCOLB-CYBMUJFWSA-N 0 0 319.430 2.146 10 30 DEEERN CC(N=Nc1ncccc1[N+](=O)[O-])c1cn2c(n1)CCCC2 ZINC000807977576 646014528 /nfs/dbraw/zinc/01/45/28/646014528.db2.gz SGBCTLGBLRBLIC-UHFFFAOYSA-N 0 0 300.322 2.359 10 30 DEEERN COC(=O)N[C@H]1CCN(c2ccc(C#N)cc2Br)C1 ZINC000228257683 646621622 /nfs/dbraw/zinc/62/16/22/646621622.db2.gz WZXDEAJRZUHVAG-JTQLQIEISA-N 0 0 324.178 2.255 10 30 DEEERN C#CCCCOC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 ZINC000170714244 646660455 /nfs/dbraw/zinc/66/04/55/646660455.db2.gz PMIGXFYBAPHAPA-DHZHZOJOSA-N 0 0 307.371 2.028 10 30 DEEERN CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@H](C#N)C2CC2)o1 ZINC000173261136 646764097 /nfs/dbraw/zinc/76/40/97/646764097.db2.gz VBDRFIYFXDESPG-GFCCVEGCSA-N 0 0 319.361 2.336 10 30 DEEERN C#CCCCNC(=O)N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000174126711 646791791 /nfs/dbraw/zinc/79/17/91/646791791.db2.gz QTEYORWCUGCBKB-KBPBESRZSA-N 0 0 323.437 2.392 10 30 DEEERN CCOCCCNC(=O)[C@H](C#N)C(=O)Cc1cccc(CC)c1 ZINC000152156819 647108321 /nfs/dbraw/zinc/10/83/21/647108321.db2.gz DBJOBNKVYCAZHQ-MRXNPFEDSA-N 0 0 316.401 2.043 10 30 DEEERN C#CCOc1cccc([C@@H](C)OC(=O)CCCS(C)(=O)=O)c1 ZINC000731291873 647465411 /nfs/dbraw/zinc/46/54/11/647465411.db2.gz FKYJHNDHUHORDV-CYBMUJFWSA-N 0 0 324.398 2.128 10 30 DEEERN N#C[C@H]1CN(Cc2cnc(-c3ccccc3)nc2)CCN1C1CC1 ZINC000732668067 647638993 /nfs/dbraw/zinc/63/89/93/647638993.db2.gz GBFCANBIDKWBFZ-SFHVURJKSA-N 0 0 319.412 2.316 10 30 DEEERN N#C[C@H]1CN(C(=O)Nc2cccc3cccnc32)CCN1C1CC1 ZINC000732674492 647639965 /nfs/dbraw/zinc/63/99/65/647639965.db2.gz JQZYOJZCSWTOFU-HNNXBMFYSA-N 0 0 321.384 2.439 10 30 DEEERN Cc1cccc2c1CC[C@@H]2NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732704267 647645541 /nfs/dbraw/zinc/64/55/41/647645541.db2.gz VFJITTNRSMUKJJ-QAPCUYQASA-N 0 0 324.428 2.364 10 30 DEEERN C#CC[C@@H](OC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)C1CC1 ZINC000175344627 648345054 /nfs/dbraw/zinc/34/50/54/648345054.db2.gz LACZLSAGDHTSQB-JKSUJKDBSA-N 0 0 318.417 2.259 10 30 DEEERN C=C[C@H](CC)OC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000181239811 648590303 /nfs/dbraw/zinc/59/03/03/648590303.db2.gz HSTOPOXGEKIQNK-LLVKDONJSA-N 0 0 324.427 2.497 10 30 DEEERN N#CC1(COC(=O)c2cnc([C@H]3CCCO3)s2)CCOCC1 ZINC000183979742 649215149 /nfs/dbraw/zinc/21/51/49/649215149.db2.gz KKYDFTUIACIXRF-LLVKDONJSA-N 0 0 322.386 2.472 10 30 DEEERN C#CCCNC(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000733247748 649463825 /nfs/dbraw/zinc/46/38/25/649463825.db2.gz PHNVNYATBUNZIQ-UHFFFAOYSA-N 0 0 307.349 2.436 10 30 DEEERN C#CCCNC(=O)CSc1nccn1-c1cccc(OC)c1 ZINC000733287699 649537412 /nfs/dbraw/zinc/53/74/12/649537412.db2.gz NEYGGOFVDJXOMT-UHFFFAOYSA-N 0 0 315.398 2.113 10 30 DEEERN CCc1ccc(N2C[C@@H](C(=O)N[C@@H](C#N)C3CC3)CC2=O)cc1 ZINC000108831882 651721960 /nfs/dbraw/zinc/72/19/60/651721960.db2.gz HYZJZTDSHMHGRZ-HOCLYGCPSA-N 0 0 311.385 2.020 10 30 DEEERN C#CCN(CC#C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000076185813 683940759 /nfs/dbraw/zinc/94/07/59/683940759.db2.gz IGWLURMVNRYUHF-LBPRGKRZSA-N 0 0 312.196 2.302 10 30 DEEERN C[C@H](NC(=O)C#Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000080495452 683983208 /nfs/dbraw/zinc/98/32/08/683983208.db2.gz CMHPBYIIYMCGIA-HNNXBMFYSA-N 0 0 316.364 2.496 10 30 DEEERN CN(C)c1ncccc1N(C)C(=O)Cc1cccc(OCC#N)c1 ZINC000089823446 684027060 /nfs/dbraw/zinc/02/70/60/684027060.db2.gz JEWZKSNTRWVKKJ-UHFFFAOYSA-N 0 0 324.384 2.255 10 30 DEEERN C=CCCCOC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000117993038 684070096 /nfs/dbraw/zinc/07/00/96/684070096.db2.gz QMCUZOKPIKZWCQ-UHFFFAOYSA-N 0 0 308.378 2.093 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)OCCNC(=O)c1ccccc1 ZINC000130434195 684188737 /nfs/dbraw/zinc/18/87/37/684188737.db2.gz NSZTXVADKCISHD-UHFFFAOYSA-N 0 0 308.337 2.454 10 30 DEEERN C=CCOc1ccccc1CN(CCS(C)(=O)=O)C1CC1 ZINC000131891925 684203099 /nfs/dbraw/zinc/20/30/99/684203099.db2.gz PXVWMXAECXTQMR-UHFFFAOYSA-N 0 0 309.431 2.260 10 30 DEEERN C[C@@H](NC(=O)Nc1ccc(F)cc1OCC#N)[C@H]1CCCO1 ZINC000135335214 684234525 /nfs/dbraw/zinc/23/45/25/684234525.db2.gz NDIZYPYHFDYDNG-ZWNOBZJWSA-N 0 0 307.325 2.417 10 30 DEEERN C#CC[C@H](OC(=O)c1cccc(S(=O)(=O)CC)c1)C1CC1 ZINC000136352689 684239323 /nfs/dbraw/zinc/23/93/23/684239323.db2.gz TYQUJJZWWYQVEG-HNNXBMFYSA-N 0 0 306.383 2.439 10 30 DEEERN C=CCNC(=O)COC(=O)C[C@H]1CCCc2cc(OC)ccc21 ZINC000139559050 684250455 /nfs/dbraw/zinc/25/04/55/684250455.db2.gz LKUZRCOSVOPMAX-CQSZACIVSA-N 0 0 317.385 2.351 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(O)c(O)c1 ZINC000159132565 684310058 /nfs/dbraw/zinc/31/00/58/684310058.db2.gz GYOVIMBRWIXAJG-LLVKDONJSA-N 0 0 312.325 2.053 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)OCCn1c2ccccc2oc1=O ZINC000188538791 684357598 /nfs/dbraw/zinc/35/75/98/684357598.db2.gz YDDHYOZFDXDQAZ-QGZVFWFLSA-N 0 0 319.357 2.367 10 30 DEEERN N#C[C@@H](OC(=O)CCOCC(F)(F)C(F)(F)F)C1CC1 ZINC000192240932 684445393 /nfs/dbraw/zinc/44/53/93/684445393.db2.gz WXOCIEMYOQHALH-MRVPVSSYSA-N 0 0 301.211 2.436 10 30 DEEERN CCCCCCCS(=O)(=O)N(C)CC(=O)NC(C)(C)C ZINC000195061729 685085504 /nfs/dbraw/zinc/08/55/04/685085504.db2.gz SPFBJOIGFYKSIV-UHFFFAOYSA-N 0 0 306.472 2.133 10 30 DEEERN CCn1cc([C@@H]2OCCC[C@H]2CNc2cncc(C#N)n2)cn1 ZINC000886074788 691998144 /nfs/dbraw/zinc/99/81/44/691998144.db2.gz ZHOBDDPACUITCB-BLLLJJGKSA-N 0 0 312.377 2.144 10 30 DEEERN COc1cccc(C#CCOC(=O)[C@H](C)OC[C@H]2CCCO2)c1 ZINC000176596637 782726304 /nfs/dbraw/zinc/72/63/04/782726304.db2.gz CCBZACMZPCGSPW-WMLDXEAASA-N 0 0 318.369 2.174 10 30 DEEERN CO[C@@H]1CC[C@@H]1N(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000724118829 777245840 /nfs/dbraw/zinc/24/58/40/777245840.db2.gz CGCMQMBJXOMSQG-QWHCGFSZSA-N 0 0 314.794 2.010 10 30 DEEERN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)C=Cc2ccncn2)c1 ZINC000588539115 777373391 /nfs/dbraw/zinc/37/33/91/777373391.db2.gz IZWJIZVDRCMCQB-YVACAVLKSA-N 0 0 306.325 2.146 10 30 DEEERN C#Cc1ccc(C(=O)NCc2cn3cc(Cl)ccc3n2)nc1 ZINC000728858368 778624015 /nfs/dbraw/zinc/62/40/15/778624015.db2.gz NBEQSRKLKMEAJI-UHFFFAOYSA-N 0 0 310.744 2.294 10 30 DEEERN C#CC[C@@H](COC)NC(=O)c1cccc(Br)c1F ZINC000716843119 793009778 /nfs/dbraw/zinc/00/97/78/793009778.db2.gz ADBDTWANDSIJFC-VIFPVBQESA-N 0 0 314.154 2.356 10 30 DEEERN C=CCC1(O)CCN(S(=O)(=O)C2CCC(C)CC2)CC1 ZINC000717498434 799419243 /nfs/dbraw/zinc/41/92/43/799419243.db2.gz UOCVSEPJRSLYTI-UHFFFAOYSA-N 0 0 301.452 2.298 10 30 DEEERN C=CCNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000024449154 1078172952 /nfs/dbraw/zinc/17/29/52/1078172952.db2.gz NCPVWCMMSATFIC-UHFFFAOYSA-N 0 0 320.348 2.399 10 30 DEEERN C#CC1(O)CCN(Cc2cc(Br)ccc2OC)CC1 ZINC000708100067 1086677220 /nfs/dbraw/zinc/67/72/20/1086677220.db2.gz BRGPMGFPZUVYAY-UHFFFAOYSA-N 0 0 324.218 2.418 10 30 DEEERN C#CCCS(=O)(=O)N1CCc2c1cccc2Br ZINC000710917131 1086690733 /nfs/dbraw/zinc/69/07/33/1086690733.db2.gz MHDYVMCJHHLWAG-UHFFFAOYSA-N 0 0 314.204 2.165 10 30 DEEERN CC1(C)CC[C@@H](CNS(=O)(=O)c2ccc(C#N)s2)OC1 ZINC000711222450 1087025407 /nfs/dbraw/zinc/02/54/07/1087025407.db2.gz FREYMZXMEDOJNN-JTQLQIEISA-N 0 0 314.432 2.103 10 30 DEEERN C#C[C@H](CO)NC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000718172732 1088399193 /nfs/dbraw/zinc/39/91/93/1088399193.db2.gz MAUXVFGAVZDEJG-GXFFZTMASA-N 0 0 310.191 2.053 10 30 DEEERN CS[C@H]1CC[C@H](NS(=O)(=O)c2cc(F)cc(C#N)c2)C1 ZINC000720036970 1089427753 /nfs/dbraw/zinc/42/77/53/1089427753.db2.gz JSCWOSDCGVMYQB-RYUDHWBXSA-N 0 0 314.407 2.260 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1([C@H](C)CCO)CCC1 ZINC000425491907 334926785 /nfs/dbraw/zinc/92/67/85/334926785.db2.gz RQJSYIBRKLSWHY-ILXRZTDVSA-N 0 0 310.438 2.066 10 30 DEEERN CCc1nnc(CN2CCN(c3ccccc3C#N)CC2)s1 ZINC000612065592 361736177 /nfs/dbraw/zinc/73/61/77/361736177.db2.gz HTXXIEIVGMESMZ-UHFFFAOYSA-N 0 0 313.430 2.294 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCC(C)(C)C(=O)N2CCCC2)C1 ZINC000624848047 365569489 /nfs/dbraw/zinc/56/94/89/365569489.db2.gz WMWVJUVNUCLLOG-AWEZNQCLSA-N 0 0 307.438 2.243 10 30 DEEERN CC(C)OC(=O)[C@@H](C)N(C)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000162159329 197548970 /nfs/dbraw/zinc/54/89/70/197548970.db2.gz NMNMEPXKYDOKJY-CHWSQXEVSA-N 0 0 318.373 2.124 10 30 DEEERN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](CO)C[C@H]1C ZINC000624966792 365601399 /nfs/dbraw/zinc/60/13/99/365601399.db2.gz VBVIFPVQCPGBQM-ZIAGYGMSSA-N 0 0 315.421 2.447 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000278387802 214134919 /nfs/dbraw/zinc/13/49/19/214134919.db2.gz RMUUCTHMRAFUQB-UKRRQHHQSA-N 0 0 304.346 2.235 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1COc2c1cccc2Cl ZINC000612304339 361786932 /nfs/dbraw/zinc/78/69/32/361786932.db2.gz NMJAMWOMWJBZKV-KBPBESRZSA-N 0 0 322.792 2.361 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)CC(=O)c1ccccc1 ZINC000612311256 361788831 /nfs/dbraw/zinc/78/88/31/361788831.db2.gz QEHKURORNJKQIO-CJNGLKHVSA-N 0 0 316.401 2.235 10 30 DEEERN C=C(C)Cn1c(C2CCC2)nnc1N1CCO[C@](C)(COC)C1 ZINC000624965961 365601900 /nfs/dbraw/zinc/60/19/00/365601900.db2.gz KOMGFKMIGDNLPZ-KRWDZBQOSA-N 0 0 320.437 2.363 10 30 DEEERN Cc1nn(CCS(=O)(=O)c2cccc(C#N)c2)cc1Cl ZINC000163137854 197613130 /nfs/dbraw/zinc/61/31/30/197613130.db2.gz KJZAUFVCXGBIRH-UHFFFAOYSA-N 0 0 309.778 2.191 10 30 DEEERN C=C(C)COCCNC(=O)c1ccc(Nc2ccn(C)n2)cc1 ZINC000612435935 361826667 /nfs/dbraw/zinc/82/66/67/361826667.db2.gz KDBUOHUGBJQVHF-UHFFFAOYSA-N 0 0 314.389 2.486 10 30 DEEERN C=C(C)COCCNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000612436808 361827348 /nfs/dbraw/zinc/82/73/48/361827348.db2.gz VZWVEQIRCYUGFE-UHFFFAOYSA-N 0 0 316.401 2.263 10 30 DEEERN COC(=O)C[C@H](C)SCC(=O)NC1(C#N)CCCCCC1 ZINC000078815967 185114195 /nfs/dbraw/zinc/11/41/95/185114195.db2.gz VKVJOKQQMRZNIE-LBPRGKRZSA-N 0 0 312.435 2.404 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)CCc1ccc(O)cc1 ZINC000612618048 361875139 /nfs/dbraw/zinc/87/51/39/361875139.db2.gz NSEMYXIMJONFFU-SUMWQHHRSA-N 0 0 318.417 2.300 10 30 DEEERN C=CCCOCCNC(=O)c1ccc2[nH]c(=O)n(C3CC3)c2c1 ZINC000613014300 361980952 /nfs/dbraw/zinc/98/09/52/361980952.db2.gz KGCJMKFHFTWNGI-UHFFFAOYSA-N 0 0 315.373 2.399 10 30 DEEERN CC[C@@H](CC#N)NC(=O)[C@H]1CCCN1c1ncnc2ccccc21 ZINC000358052220 529447369 /nfs/dbraw/zinc/44/73/69/529447369.db2.gz FEFRURXDUIMBJE-XJKSGUPXSA-N 0 0 323.400 2.407 10 30 DEEERN CCOC(=O)CSCc1cc(OC)ccc1C#CCCO ZINC000087788890 185232078 /nfs/dbraw/zinc/23/20/78/185232078.db2.gz BNRUEQCWVGONJR-UHFFFAOYSA-N 0 0 308.399 2.225 10 30 DEEERN Cc1cc(CNS(=O)(=O)c2ccc(C#N)cc2N)sc1C ZINC000087579028 185228989 /nfs/dbraw/zinc/22/89/89/185228989.db2.gz VQVULMSAPINWDI-UHFFFAOYSA-N 0 0 321.427 2.297 10 30 DEEERN C#Cc1cccc(NC(=O)N[C@@H]2CCCn3nc(CC)nc32)c1 ZINC000088350600 185246771 /nfs/dbraw/zinc/24/67/71/185246771.db2.gz UEOJXAXKEZHOLT-CQSZACIVSA-N 0 0 309.373 2.478 10 30 DEEERN CC[C@H](C#N)S(=O)(=O)Nc1ccc(Br)cc1N ZINC000088467371 185252094 /nfs/dbraw/zinc/25/20/94/185252094.db2.gz HXNDGFCRAHKTCB-MRVPVSSYSA-N 0 0 318.196 2.075 10 30 DEEERN CC[C@H](C#N)S(=O)(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000088474461 185252112 /nfs/dbraw/zinc/25/21/12/185252112.db2.gz QOYVDKGRDXHBPJ-OAHLLOKOSA-N 0 0 308.403 2.204 10 30 DEEERN Cc1c(C#CCO)cccc1C(=O)N(C)Cc1cscn1 ZINC000088443318 185250885 /nfs/dbraw/zinc/25/08/85/185250885.db2.gz ILDXPIKDBQGHRD-UHFFFAOYSA-N 0 0 300.383 2.068 10 30 DEEERN N#Cc1cc(NCc2ccc(S(N)(=O)=O)o2)ccc1Cl ZINC000088539032 185255439 /nfs/dbraw/zinc/25/54/39/185255439.db2.gz NHPQXKBDJVYZHS-UHFFFAOYSA-N 0 0 311.750 2.064 10 30 DEEERN C=C[C@](C)(O)C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000613370852 362094167 /nfs/dbraw/zinc/09/41/67/362094167.db2.gz RNROQKYVAHUMLV-YOEHRIQHSA-N 0 0 303.406 2.429 10 30 DEEERN CC[C@@H](C#N)N1CCN(Cc2cncc(Br)c2)CC1 ZINC000166935448 197701134 /nfs/dbraw/zinc/70/11/34/197701134.db2.gz GNYXMGRNFNTOLL-AWEZNQCLSA-N 0 0 323.238 2.264 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](C)c1ncc(C)s1 ZINC000613496224 362129462 /nfs/dbraw/zinc/12/94/62/362129462.db2.gz WBADFTOJMBAUDJ-GWCFXTLKSA-N 0 0 309.435 2.142 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000613495965 362129679 /nfs/dbraw/zinc/12/96/79/362129679.db2.gz XICZGJAJUYPOND-IAGOWNOFSA-N 0 0 322.449 2.265 10 30 DEEERN C[C@H]1C[C@@H]1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092423298 185317200 /nfs/dbraw/zinc/31/72/00/185317200.db2.gz ZROAYCYKZRAVFI-LLGZUXRYSA-N 0 0 314.389 2.351 10 30 DEEERN CCN(CCC#N)c1cc2c(cc1Br)C(=O)C(=O)N2 ZINC000092773395 185339841 /nfs/dbraw/zinc/33/98/41/185339841.db2.gz IIEUTIUWHUHKPK-UHFFFAOYSA-N 0 0 322.162 2.324 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cc(OC)ccc2OC)C1 ZINC000625349820 365742266 /nfs/dbraw/zinc/74/22/66/365742266.db2.gz GJWKZMMTSAUXBE-LBPRGKRZSA-N 0 0 311.403 2.291 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 ZINC000625350539 365742460 /nfs/dbraw/zinc/74/24/60/365742460.db2.gz PBEFBLJMHSSVOH-LBPRGKRZSA-N 0 0 311.403 2.291 10 30 DEEERN CN(CCCn1ccnc1)C(=O)NCC1CCC(C#N)CC1 ZINC000440997472 529898338 /nfs/dbraw/zinc/89/83/38/529898338.db2.gz FWKKACJEHNNSTB-UHFFFAOYSA-N 0 0 303.410 2.245 10 30 DEEERN C=CCN1C(=O)C(Cl)=C(c2ccc(NC(C)=O)cc2)C1=O ZINC000170104429 197770103 /nfs/dbraw/zinc/77/01/03/197770103.db2.gz NCBBKKISHOIWOX-UHFFFAOYSA-N 0 0 304.733 2.150 10 30 DEEERN CC(C)Cn1ncc2cc(C(=O)N3CC[C@@](F)(C#N)C3)cnc21 ZINC000615583712 362645750 /nfs/dbraw/zinc/64/57/50/362645750.db2.gz WBLVSKDGLHMLCI-MRXNPFEDSA-N 0 0 315.352 2.165 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1Cc2ccc(C(C)=O)cc2C1 ZINC000616266132 362810688 /nfs/dbraw/zinc/81/06/88/362810688.db2.gz OIHQFTVHMSOAML-QGZVFWFLSA-N 0 0 314.385 2.202 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CCC(OCCCO)CC1 ZINC000159242383 539581136 /nfs/dbraw/zinc/58/11/36/539581136.db2.gz LZXOTOWCPVBYEG-UHFFFAOYSA-N 0 0 319.401 2.255 10 30 DEEERN CCn1ccc(CN(C)S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC000616436511 362856072 /nfs/dbraw/zinc/85/60/72/362856072.db2.gz SOSJIAAEMFTXOS-UHFFFAOYSA-N 0 0 321.377 2.339 10 30 DEEERN C=C[C@](C)(O)C(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000616508282 362876843 /nfs/dbraw/zinc/87/68/43/362876843.db2.gz HKHZSWQUFDGKOU-WFASDCNBSA-N 0 0 313.756 2.316 10 30 DEEERN C[C@H](CNc1ccc(Br)cc1C#N)[S@@](C)=O ZINC000130473299 185970110 /nfs/dbraw/zinc/97/01/10/185970110.db2.gz VGVINMSGYQXBQC-BCTVWOGZSA-N 0 0 301.209 2.500 10 30 DEEERN CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](S(=O)(=O)CC(=O)OC)C1 ZINC000084253071 192416879 /nfs/dbraw/zinc/41/68/79/192416879.db2.gz NZNKCKJNXCWDCX-JHJVBQTASA-N 0 0 315.435 2.319 10 30 DEEERN CC(C)(C)c1ccc2c(c1)[C@@H](C#N)N(CCOCCO)C2=O ZINC000071680301 191005902 /nfs/dbraw/zinc/00/59/02/191005902.db2.gz ATJMSVFGUNNZKW-OAHLLOKOSA-N 0 0 302.374 2.013 10 30 DEEERN C=C(C)CN(CC)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000138378286 186016616 /nfs/dbraw/zinc/01/66/16/186016616.db2.gz AYWDZRBVQYCRBF-UHFFFAOYSA-N 0 0 318.389 2.271 10 30 DEEERN C[C@@H]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)[C@H](C)C1 ZINC000147438711 186040141 /nfs/dbraw/zinc/04/01/41/186040141.db2.gz FVPLIVYNOIAFNN-ZIAGYGMSSA-N 0 0 306.431 2.452 10 30 DEEERN O=C(NCc1sccc1C#CCO)c1c(F)cccc1F ZINC000148546827 186044855 /nfs/dbraw/zinc/04/48/55/186044855.db2.gz JHWVBZFPGUTLLZ-UHFFFAOYSA-N 0 0 307.321 2.300 10 30 DEEERN C[C@@H](NCC(=O)NCCC#N)c1ccccc1Br ZINC000148965085 186047350 /nfs/dbraw/zinc/04/73/50/186047350.db2.gz MKJIQMCLBCHSJE-SNVBAGLBSA-N 0 0 310.195 2.130 10 30 DEEERN CC1(C)CCC[C@@H](NS(=O)(=O)c2ccc(N)cc2C#N)C1 ZINC000149244556 186048464 /nfs/dbraw/zinc/04/84/64/186048464.db2.gz PPYNRZSAQIKRSJ-CYBMUJFWSA-N 0 0 307.419 2.388 10 30 DEEERN CC(C)OC(=O)Cn1cc(C#N)c(=O)c2cc(F)cc(F)c21 ZINC000072237089 191081062 /nfs/dbraw/zinc/08/10/62/191081062.db2.gz MGAZPODJQMKVSC-UHFFFAOYSA-N 0 0 306.268 2.103 10 30 DEEERN N#CC1CCN(C(=O)NCc2cc(F)cc3c2OCOC3)CC1 ZINC000171081258 197877720 /nfs/dbraw/zinc/87/77/20/197877720.db2.gz JUUMZOFICJSWOG-UHFFFAOYSA-N 0 0 319.336 2.137 10 30 DEEERN COc1ccc(CNC(=O)c2cc(C#N)cn2C)cc1Cl ZINC000152612972 186090094 /nfs/dbraw/zinc/09/00/94/186090094.db2.gz CBFPBRJTQPRFRN-UHFFFAOYSA-N 0 0 303.749 2.489 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCCc1c[nH]c2ccccc12 ZINC000186055367 186236122 /nfs/dbraw/zinc/23/61/22/186236122.db2.gz GEFGLKACBKRERF-CQSZACIVSA-N 0 0 301.390 2.337 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000617040622 363006958 /nfs/dbraw/zinc/00/69/58/363006958.db2.gz WOELVRRUXIRFAL-ABAIWWIYSA-N 0 0 312.369 2.435 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000617042708 363007921 /nfs/dbraw/zinc/00/79/21/363007921.db2.gz VFKHCXUFDMWRGA-FQUUOJAGSA-N 0 0 301.452 2.307 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@H]2COC(C)(C)C2)c(OC)c1 ZINC000617061800 363014397 /nfs/dbraw/zinc/01/43/97/363014397.db2.gz OBEZJGHDQRZGAK-CQSZACIVSA-N 0 0 319.401 2.486 10 30 DEEERN O=C(NCc1ncc(-c2ccccc2)cn1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000329581024 539923578 /nfs/dbraw/zinc/92/35/78/539923578.db2.gz AAZUHOYPGHBKHB-IYBDPMFKSA-N 0 0 324.384 2.421 10 30 DEEERN C=CCN(C(=O)c1ccnc(OC(F)F)c1)[C@H](C)COC ZINC000617583354 363197259 /nfs/dbraw/zinc/19/72/59/363197259.db2.gz HBVNZCNMKLUNOM-SNVBAGLBSA-N 0 0 300.305 2.346 10 30 DEEERN C=CCN(C(=O)c1ccc(C(F)(F)F)c(=O)[nH]1)[C@H](C)COC ZINC000617583543 363196910 /nfs/dbraw/zinc/19/69/10/363196910.db2.gz KQHAVBIYAGXJLL-SECBINFHSA-N 0 0 318.295 2.469 10 30 DEEERN Cc1c(CC(=O)N[C@H]2CCC[C@H]2C#N)nnn1-c1ccc(C)cc1 ZINC000332953798 539944770 /nfs/dbraw/zinc/94/47/70/539944770.db2.gz DLCWQWVWAAHMHL-HOCLYGCPSA-N 0 0 323.400 2.235 10 30 DEEERN N#Cc1cccc(-c2cc(C(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)on2)c1 ZINC000333316314 539955674 /nfs/dbraw/zinc/95/56/74/539955674.db2.gz OMULNBXTPANPGX-LZWOXQAQSA-N 0 0 323.352 2.056 10 30 DEEERN C[C@@]12CN(C(=O)Nc3ccn(CCC#N)n3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333811455 539972442 /nfs/dbraw/zinc/97/24/42/539972442.db2.gz IDGAKRSEOCXDOM-FHIRATQRSA-N 0 0 313.405 2.697 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CCC(=O)Nc2ccccc21 ZINC000174162735 198300192 /nfs/dbraw/zinc/30/01/92/198300192.db2.gz AIZOMFIYQATVCT-UHFFFAOYSA-N 0 0 301.390 2.260 10 30 DEEERN CC[C@@H]1C(=O)N(Cc2ccc(C#N)cc2F)C(=O)N1C1CC1 ZINC000617675039 363220832 /nfs/dbraw/zinc/22/08/32/363220832.db2.gz JNFCLACZHOBXOY-CQSZACIVSA-N 0 0 301.321 2.403 10 30 DEEERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)Cc2ccc(C#N)cc2)C1 ZINC000174925232 198403080 /nfs/dbraw/zinc/40/30/80/198403080.db2.gz YMIFIIMJZMYWTH-OAHLLOKOSA-N 0 0 314.385 2.291 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@]1(COC)CCOC1 ZINC000413992841 404469281 /nfs/dbraw/zinc/46/92/81/404469281.db2.gz YPLBJCOBZWPMIR-WMZOPIPTSA-N 0 0 303.402 2.343 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)CCC)cc2C1=O ZINC000015652723 354034734 /nfs/dbraw/zinc/03/47/34/354034734.db2.gz QFUHUHABGMHXKY-NSHDSACASA-N 0 0 300.358 2.387 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NCCC(C)C)cc2C1=O ZINC000027754405 354095769 /nfs/dbraw/zinc/09/57/69/354095769.db2.gz WCONRWBQGUCPMA-UHFFFAOYSA-N 0 0 300.358 2.245 10 30 DEEERN Cc1ccccc1C(=O)NCC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000045218345 354252407 /nfs/dbraw/zinc/25/24/07/354252407.db2.gz ITGIAOIFIHSHTN-AWEZNQCLSA-N 0 0 321.380 2.474 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000626362034 366161951 /nfs/dbraw/zinc/16/19/51/366161951.db2.gz YYIHJCIXMMLQRO-BXUZGUMPSA-N 0 0 311.328 2.387 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(C)n([C@@H]2CCCOC2)c1C ZINC000626448949 366191119 /nfs/dbraw/zinc/19/11/19/366191119.db2.gz RKJNQUXVDPUJAV-LSDHHAIUSA-N 0 0 306.406 2.123 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N(C)C3CCCC3)cc2C1=O ZINC000053332702 354429945 /nfs/dbraw/zinc/42/99/45/354429945.db2.gz YDUVWTSQBMWMIG-UHFFFAOYSA-N 0 0 312.369 2.483 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000064319525 354664092 /nfs/dbraw/zinc/66/40/92/354664092.db2.gz UTZRICVPBGPMJC-ZIAGYGMSSA-N 0 0 314.385 2.353 10 30 DEEERN C=CCNC(=O)NC(=O)CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000074236038 355017016 /nfs/dbraw/zinc/01/70/16/355017016.db2.gz TZLMKUBDUMBMHX-LLVKDONJSA-N 0 0 309.797 2.345 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NCc1nccn1CC(F)(F)F ZINC000075709862 355103150 /nfs/dbraw/zinc/10/31/50/355103150.db2.gz XDFSHSLQBPQUAP-JTQLQIEISA-N 0 0 305.300 2.043 10 30 DEEERN C=CCCCN(C)C(=O)[C@H](c1ccccc1)N1CCN(C)CC1 ZINC000076490884 355151732 /nfs/dbraw/zinc/15/17/32/355151732.db2.gz KJGANVWCYCGFAU-SFHVURJKSA-N 0 0 315.461 2.400 10 30 DEEERN N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000078567931 355267579 /nfs/dbraw/zinc/26/75/79/355267579.db2.gz WJFMCVQFIJGWLQ-CQSZACIVSA-N 0 0 324.306 2.079 10 30 DEEERN N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@]2(CNC(=O)C2)C1 ZINC000078567932 355267592 /nfs/dbraw/zinc/26/75/92/355267592.db2.gz WJFMCVQFIJGWLQ-AWEZNQCLSA-N 0 0 324.306 2.079 10 30 DEEERN N#Cc1cc(NC(=O)C(=O)N2CCCC23CCC3)ccc1F ZINC000373183547 283109698 /nfs/dbraw/zinc/10/96/98/283109698.db2.gz RFBJKAWKPQQXQX-UHFFFAOYSA-N 0 0 301.321 2.181 10 30 DEEERN C=CCOc1ccc(CN(CC(=O)OC)C2CCOCC2)cc1 ZINC000093763509 355687382 /nfs/dbraw/zinc/68/73/82/355687382.db2.gz ZJVLFYMEEYRCKB-UHFFFAOYSA-N 0 0 319.401 2.405 10 30 DEEERN COc1cccc(F)c1[C@@H](C)NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000179895988 356036219 /nfs/dbraw/zinc/03/62/19/356036219.db2.gz CYBINSJDWCFLER-PIGZYNQJSA-N 0 0 319.380 2.293 10 30 DEEERN Nc1ncnc(N=NCc2ccccc2OC(F)F)c1[N+](=O)[O-] ZINC000005446905 181244819 /nfs/dbraw/zinc/24/48/19/181244819.db2.gz LJYOMYUSJYFCPG-BLLMUTORSA-N 0 0 324.247 2.014 10 30 DEEERN CC(=O)c1ccc(NC(=O)C(=O)NCCCCC#N)cc1Cl ZINC000182740088 356143717 /nfs/dbraw/zinc/14/37/17/356143717.db2.gz HRWLJKLQIWUSKM-UHFFFAOYSA-N 0 0 321.764 2.291 10 30 DEEERN C[C@H](C#N)CNC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000182788706 356145471 /nfs/dbraw/zinc/14/54/71/356145471.db2.gz NXPPDLVFJIMVEH-OLZOCXBDSA-N 0 0 316.409 2.011 10 30 DEEERN FC(F)(F)CON=Cc1cccc(OCC2OCCO2)c1 ZINC000257352105 356338828 /nfs/dbraw/zinc/33/88/28/356338828.db2.gz JCGRSJIXWYERBE-UHFFFAOYSA-N 0 0 305.252 2.351 10 30 DEEERN COC(=O)c1cc(C#N)c(F)cc1I ZINC000306934984 356406335 /nfs/dbraw/zinc/40/63/35/356406335.db2.gz HONJXIJNACOJSA-UHFFFAOYSA-N 0 0 305.046 2.089 10 30 DEEERN COC(=O)c1cc(F)cc(C#N)c1I ZINC000307653362 356409373 /nfs/dbraw/zinc/40/93/73/356409373.db2.gz PGMCEIOUXZGRSZ-UHFFFAOYSA-N 0 0 305.046 2.089 10 30 DEEERN C=CCOCCCNC(=O)c1nscc1Br ZINC000618515656 363512717 /nfs/dbraw/zinc/51/27/17/363512717.db2.gz FZWNKCSLTJJFHX-UHFFFAOYSA-N 0 0 305.197 2.228 10 30 DEEERN C=CCOCCCNC(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000618515359 363512829 /nfs/dbraw/zinc/51/28/29/363512829.db2.gz AXEBUMALZYOUKG-NEPJUHHUSA-N 0 0 309.328 2.443 10 30 DEEERN C=CCOCCCNC(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000618515366 363512888 /nfs/dbraw/zinc/51/28/88/363512888.db2.gz AXEBUMALZYOUKG-RYUDHWBXSA-N 0 0 309.328 2.443 10 30 DEEERN C=CCOCCCNC(=O)CCc1nnc(-c2ccsc2)o1 ZINC000618515782 363513920 /nfs/dbraw/zinc/51/39/20/363513920.db2.gz ZLMOEGKDAOPUEP-UHFFFAOYSA-N 0 0 321.402 2.440 10 30 DEEERN C=CCOCCCNC(=O)c1ccccc1-c1nc(C)no1 ZINC000618523409 363515630 /nfs/dbraw/zinc/51/56/30/363515630.db2.gz GVMWWRXVOQJDCI-UHFFFAOYSA-N 0 0 301.346 2.368 10 30 DEEERN C=CCOCCCNC(=O)c1cnn(-c2ccccc2F)c1 ZINC000618522830 363515762 /nfs/dbraw/zinc/51/57/62/363515762.db2.gz VOWUVLQDQGAVPH-UHFFFAOYSA-N 0 0 303.337 2.334 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)c2oc(C(F)F)cc2C)C1=O ZINC000626848927 366344720 /nfs/dbraw/zinc/34/47/20/366344720.db2.gz JQLUOCFZORJSLP-JTQLQIEISA-N 0 0 312.316 2.385 10 30 DEEERN C[C@@H](Nc1ccnc(C#N)c1)C1CCN(CC(F)(F)F)CC1 ZINC000578295285 356791105 /nfs/dbraw/zinc/79/11/05/356791105.db2.gz SHQNTBXXDNCQDO-LLVKDONJSA-N 0 0 312.339 2.450 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1ccccc1OC ZINC000578761116 356868869 /nfs/dbraw/zinc/86/88/69/356868869.db2.gz NZCDJECXOYIEOL-ZFWWWQNUSA-N 0 0 304.390 2.428 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1nc(C)c(C)s1 ZINC000578837442 356877786 /nfs/dbraw/zinc/87/77/86/356877786.db2.gz QPMUPSVTOXZZDR-NEPJUHHUSA-N 0 0 316.448 2.019 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1c[nH]c2cccc(OC)c12 ZINC000579112653 356923123 /nfs/dbraw/zinc/92/31/23/356923123.db2.gz KWYUOOMGQDEGMQ-WFASDCNBSA-N 0 0 314.385 2.426 10 30 DEEERN C=CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C2CC2)C1 ZINC000579437648 356972226 /nfs/dbraw/zinc/97/22/26/356972226.db2.gz HUPXNMKHZRNCCS-GJZGRUSLSA-N 0 0 318.421 2.321 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000581709039 357233627 /nfs/dbraw/zinc/23/36/27/357233627.db2.gz JUSABECJRZRTLT-OLZOCXBDSA-N 0 0 314.307 2.289 10 30 DEEERN COCc1ncc(C(=O)NCc2ccc(C#N)cc2F)s1 ZINC000586774797 357368358 /nfs/dbraw/zinc/36/83/58/357368358.db2.gz VJINMSNUBLWTPO-UHFFFAOYSA-N 0 0 305.334 2.230 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000618710809 363582528 /nfs/dbraw/zinc/58/25/28/363582528.db2.gz JMJZYMVJWGVIRP-SCLBCKFNSA-N 0 0 317.385 2.369 10 30 DEEERN CCN1C[C@@H](CN(C)c2nc(C)cc(C#N)n2)Oc2ccccc21 ZINC000587051755 357380467 /nfs/dbraw/zinc/38/04/67/357380467.db2.gz SXESMKFZXGWQGA-OAHLLOKOSA-N 0 0 323.400 2.380 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N(CCC#N)CCOC ZINC000589248017 357458526 /nfs/dbraw/zinc/45/85/26/357458526.db2.gz CPNZJOMQWOWHKA-UHFFFAOYSA-N 0 0 301.350 2.091 10 30 DEEERN CC(=O)N1CCN(C(=O)CC2(C#N)CC2)CC12CCCCC2 ZINC000590320045 357533265 /nfs/dbraw/zinc/53/32/65/357533265.db2.gz QSQUESUPEWVACI-UHFFFAOYSA-N 0 0 303.406 2.074 10 30 DEEERN C=C[C@@](C)(CC)C(=O)Nc1ncn(CC(=O)OC(C)(C)C)n1 ZINC000592655083 357920962 /nfs/dbraw/zinc/92/09/62/357920962.db2.gz VDKBOISOAVDWHG-HNNXBMFYSA-N 0 0 308.382 2.161 10 30 DEEERN C=CCSc1nc(N=NCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000005899259 181294436 /nfs/dbraw/zinc/29/44/36/181294436.db2.gz GGEOZOUMYBMVQE-MDWZMJQESA-N 0 0 304.335 2.437 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 ZINC000185014192 199796152 /nfs/dbraw/zinc/79/61/52/199796152.db2.gz PBXQSPPNDPWZST-LBPRGKRZSA-N 0 0 318.373 2.130 10 30 DEEERN C[C@H]1C[C@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[C@@H](C)C1 ZINC000364617496 291136833 /nfs/dbraw/zinc/13/68/33/291136833.db2.gz ZKCHGSDSJRJMHK-NHIYQJMISA-N 0 0 304.438 2.193 10 30 DEEERN C=CCN1CC[C@@H](N[C@H](C(=O)OCC)C2CCCCCC2)C1=O ZINC000594046620 358196702 /nfs/dbraw/zinc/19/67/02/358196702.db2.gz AKQKVNLGUBOKNZ-CVEARBPZSA-N 0 0 322.449 2.265 10 30 DEEERN C=CCCn1cc(COc2ccc(CC(=O)OC)cc2)nn1 ZINC000594481152 358280452 /nfs/dbraw/zinc/28/04/52/358280452.db2.gz DTIMJOFDOXWRHH-UHFFFAOYSA-N 0 0 301.346 2.149 10 30 DEEERN C=CCSCCN1C(=O)N[C@@H](c2cccc(OC)c2)C1=O ZINC000594738542 358329881 /nfs/dbraw/zinc/32/98/81/358329881.db2.gz GIGBZGYLUQWGCY-ZDUSSCGKSA-N 0 0 306.387 2.207 10 30 DEEERN C=CCN(CC=C)C(=O)COc1ccc(OC)c(C(C)=O)c1 ZINC000180722266 199201733 /nfs/dbraw/zinc/20/17/33/199201733.db2.gz JDYLFSXQQJIYBM-UHFFFAOYSA-N 0 0 303.358 2.477 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000595074016 358386769 /nfs/dbraw/zinc/38/67/69/358386769.db2.gz VAZHUGHJSPMOIP-TZMCWYRMSA-N 0 0 312.373 2.143 10 30 DEEERN C=CCCSCCNC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000595725466 358533993 /nfs/dbraw/zinc/53/39/93/358533993.db2.gz YFGMHAFLSJVPTD-UHFFFAOYSA-N 0 0 307.419 2.164 10 30 DEEERN C=CCCSCCNC(=O)N[C@H]1CCCCC[C@H]1C(N)=O ZINC000596718532 358745791 /nfs/dbraw/zinc/74/57/91/358745791.db2.gz ZNAFLZZXIKIAGV-OLZOCXBDSA-N 0 0 313.467 2.029 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000596622346 358725902 /nfs/dbraw/zinc/72/59/02/358725902.db2.gz COYVALKHHCESAE-OAHLLOKOSA-N 0 0 318.373 2.273 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC1(SC)CC1 ZINC000597318585 358887665 /nfs/dbraw/zinc/88/76/65/358887665.db2.gz DUJRBBBWWDSYKR-CHWSQXEVSA-N 0 0 310.463 2.249 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000597353562 358895779 /nfs/dbraw/zinc/89/57/79/358895779.db2.gz IPTKBBVVENLLED-UHFFFAOYSA-N 0 0 305.422 2.439 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000597609551 358961723 /nfs/dbraw/zinc/96/17/23/358961723.db2.gz KHDGULKOQOQJTC-KFWWJZLASA-N 0 0 323.433 2.452 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000597865026 359028964 /nfs/dbraw/zinc/02/89/64/359028964.db2.gz RHHMPORHHVVEGE-STQMWFEESA-N 0 0 319.361 2.008 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C ZINC000597794278 359008624 /nfs/dbraw/zinc/00/86/24/359008624.db2.gz LTELBVJWIZTKDG-ZJNRKIDTSA-N 0 0 323.433 2.452 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(F)c(Br)c1 ZINC000185775298 199886440 /nfs/dbraw/zinc/88/64/40/199886440.db2.gz NOCVZBAPCBDTNZ-VIFPVBQESA-N 0 0 302.143 2.255 10 30 DEEERN C=CCOCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000598208682 359122587 /nfs/dbraw/zinc/12/25/87/359122587.db2.gz NDOANBLBXRKYAB-UHFFFAOYSA-N 0 0 312.753 2.500 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(NCC)c([N+](=O)[O-])c1 ZINC000598866877 359347492 /nfs/dbraw/zinc/34/74/92/359347492.db2.gz ZCOCPUSFATUFFG-UHFFFAOYSA-N 0 0 307.350 2.349 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccccc2C(=O)OC)C1 ZINC000599373823 359481621 /nfs/dbraw/zinc/48/16/21/359481621.db2.gz DLYCKYUDAJVKPE-GFCCVEGCSA-N 0 0 309.387 2.060 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccccc2C(=O)OC)C1 ZINC000599373824 359481733 /nfs/dbraw/zinc/48/17/33/359481733.db2.gz DLYCKYUDAJVKPE-LBPRGKRZSA-N 0 0 309.387 2.060 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2C)C1 ZINC000599375284 359482603 /nfs/dbraw/zinc/48/26/03/359482603.db2.gz QJIWVPMZTHCPFV-ZDUSSCGKSA-N 0 0 323.414 2.368 10 30 DEEERN CCC1(CC)CN(C(=O)c2ccc(C#N)cc2)CC[S@]1=O ZINC000186760660 200005167 /nfs/dbraw/zinc/00/51/67/200005167.db2.gz ATGAUDUMCANXFC-OAQYLSRUSA-N 0 0 304.415 2.322 10 30 DEEERN C=CC(C)(C)CCNC(=O)CSCC(=O)N1CCCCC1 ZINC000600165020 359671244 /nfs/dbraw/zinc/67/12/44/359671244.db2.gz OMGGCAHOUOATTO-UHFFFAOYSA-N 0 0 312.479 2.451 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1csc(Br)c1C ZINC000187364341 200101330 /nfs/dbraw/zinc/10/13/30/200101330.db2.gz JDBGORJOSUXKTC-MRVPVSSYSA-N 0 0 304.209 2.486 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@H](O)C1 ZINC000187969054 200184909 /nfs/dbraw/zinc/18/49/09/200184909.db2.gz UWLUAHVMAVXOKC-AWEZNQCLSA-N 0 0 316.401 2.070 10 30 DEEERN C=C[C@H](CO)NC(=O)C(=O)Nc1cccc(C2CCCCC2)c1 ZINC000627650560 366579442 /nfs/dbraw/zinc/57/94/42/366579442.db2.gz NACLBIUNWSDSCT-OAHLLOKOSA-N 0 0 316.401 2.336 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cnccc1SC ZINC000627686856 366591325 /nfs/dbraw/zinc/59/13/25/366591325.db2.gz GVXPXRHODVZJHC-UHFFFAOYSA-N 0 0 307.419 2.461 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1nc2c(s1)CCC2 ZINC000627686578 366591360 /nfs/dbraw/zinc/59/13/60/366591360.db2.gz SGUXPVIQJSDDKA-UHFFFAOYSA-N 0 0 307.419 2.289 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H](C)c2ccc([S@](C)=O)cc2)C1=O ZINC000601069066 359911242 /nfs/dbraw/zinc/91/12/42/359911242.db2.gz RHWDSHSFJCDXLR-WJFWATLMSA-N 0 0 320.414 2.372 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1c[nH]c2cccc(OCC)c12 ZINC000188797128 200303957 /nfs/dbraw/zinc/30/39/57/200303957.db2.gz LKHDXRUBDQDGRQ-ZDUSSCGKSA-N 0 0 302.374 2.162 10 30 DEEERN C=C(C)COCCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601130371 359933762 /nfs/dbraw/zinc/93/37/62/359933762.db2.gz UFQSSEOPKOOAIV-UHFFFAOYSA-N 0 0 308.260 2.352 10 30 DEEERN CC(=O)N1CCC[C@H](c2noc(C3(C#N)CC4(CC4)C3)n2)C1 ZINC000601366295 360020182 /nfs/dbraw/zinc/02/01/82/360020182.db2.gz FOBLMDLTIODPAP-LBPRGKRZSA-N 0 0 300.362 2.131 10 30 DEEERN C=C(C)C[C@H](NC(=O)COc1ccc(C)cc1C)C(=O)OC ZINC000601770196 360140331 /nfs/dbraw/zinc/14/03/31/360140331.db2.gz AZPSVYQVRDKRGC-AWEZNQCLSA-N 0 0 305.374 2.306 10 30 DEEERN C=C(C)C[C@@H](NC(=O)COc1c(C)cccc1C)C(=O)OC ZINC000601771102 360140437 /nfs/dbraw/zinc/14/04/37/360140437.db2.gz HOBFNNUPJVKVES-CQSZACIVSA-N 0 0 305.374 2.306 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@H](CC(=C)C)C(=O)OC)cc1 ZINC000601778194 360143509 /nfs/dbraw/zinc/14/35/09/360143509.db2.gz MQYGPNQHECPBRQ-OAHLLOKOSA-N 0 0 303.358 2.489 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(Br)c[nH]1)C(=O)OC ZINC000601780445 360144387 /nfs/dbraw/zinc/14/43/87/360144387.db2.gz YBGRRCGQUQFZIP-JTQLQIEISA-N 0 0 315.167 2.015 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1CCN(c2ccccc2)C1)C(=O)OC ZINC000601782839 360146703 /nfs/dbraw/zinc/14/67/03/360146703.db2.gz RFCDYMLQZXSTSM-ZBFHGGJFSA-N 0 0 316.401 2.137 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccnc(OC(C)C)c1)C(=O)OC ZINC000601783068 360146743 /nfs/dbraw/zinc/14/67/43/360146743.db2.gz UZPBOXXRSRKOIO-CYBMUJFWSA-N 0 0 306.362 2.106 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cc1c[nH]c2cc(F)ccc12)C(=O)OC ZINC000601784697 360147936 /nfs/dbraw/zinc/14/79/36/360147936.db2.gz GZOYOLRVRKVLEA-OAHLLOKOSA-N 0 0 318.348 2.474 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1csc([C@@H]2CCCO2)n1)C(=O)OC ZINC000601787223 360149465 /nfs/dbraw/zinc/14/94/65/360149465.db2.gz KVBTYDQHZBVFRQ-JQWIXIFHSA-N 0 0 324.402 2.232 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)C(=O)OC ZINC000601787235 360149488 /nfs/dbraw/zinc/14/94/88/360149488.db2.gz LEBXOYKIWGWDBN-MNOVXSKESA-N 0 0 324.402 2.232 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1oc(CC2CC2)nc1C)C(=O)OC ZINC000601786815 360149789 /nfs/dbraw/zinc/14/97/89/360149789.db2.gz IXTCUXVIACWQOK-LBPRGKRZSA-N 0 0 306.362 2.173 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H](C)Cc1ccc(C#N)cc1)C(=O)OC ZINC000601786221 360149803 /nfs/dbraw/zinc/14/98/03/360149803.db2.gz XIWMPGBCLJRXIV-CZUORRHYSA-N 0 0 314.385 2.361 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cc1cccc2cnccc21)C(=O)OC ZINC000601789659 360151390 /nfs/dbraw/zinc/15/13/90/360151390.db2.gz VNIVVIVJEUQWJN-INIZCTEOSA-N 0 0 312.369 2.401 10 30 DEEERN C=CCC1(NC(=O)c2c3n(c(=O)n2C)CCCC3)CCCC1 ZINC000619110691 363708577 /nfs/dbraw/zinc/70/85/77/363708577.db2.gz NIUYRQWZPNGZSH-UHFFFAOYSA-N 0 0 303.406 2.142 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000602333146 360342543 /nfs/dbraw/zinc/34/25/43/360342543.db2.gz LSPPRBHDCUSODN-KBXIAJHMSA-N 0 0 324.421 2.093 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C)CCSCC ZINC000602244818 360321502 /nfs/dbraw/zinc/32/15/02/360321502.db2.gz FWONCLCNEIPHBN-GFCCVEGCSA-N 0 0 300.468 2.353 10 30 DEEERN C=CCC[C@@H](NCc1cccn(C(F)F)c1=O)C(=O)OCC ZINC000602683916 360496380 /nfs/dbraw/zinc/49/63/80/360496380.db2.gz XRYITZZTAASWRB-GFCCVEGCSA-N 0 0 314.332 2.231 10 30 DEEERN C=C(C)C[C@@H](NCc1ccc2c(c1)sc(=O)n2C)C(=O)OC ZINC000602734660 360525731 /nfs/dbraw/zinc/52/57/31/360525731.db2.gz QRWMSJRNDNAYDB-GFCCVEGCSA-N 0 0 320.414 2.197 10 30 DEEERN C=C(C)C[C@H](NCc1cc(C(F)(F)F)nn1C)C(=O)OC ZINC000602738368 360528545 /nfs/dbraw/zinc/52/85/45/360528545.db2.gz JHWISVZBJOWVPR-JTQLQIEISA-N 0 0 305.300 2.036 10 30 DEEERN C=C(C)C[C@@H](NCc1cn(-c2ccc(F)cc2)nn1)C(=O)OC ZINC000602737423 360528646 /nfs/dbraw/zinc/52/86/46/360528646.db2.gz BVYAIRAHCCDWER-OAHLLOKOSA-N 0 0 318.352 2.004 10 30 DEEERN COc1ccccc1S(=O)(=O)NCc1ccc(C#N)cc1F ZINC000609234357 361291345 /nfs/dbraw/zinc/29/13/45/361291345.db2.gz UWTXNEQUUMLUHN-UHFFFAOYSA-N 0 0 320.345 2.184 10 30 DEEERN Cc1nn(C)c(C)c1NC(=O)NCc1ccc(C#N)cc1F ZINC000609253640 361292102 /nfs/dbraw/zinc/29/21/02/361292102.db2.gz FFVCEMKQEBIOKP-UHFFFAOYSA-N 0 0 301.325 2.369 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1ccn(CCn2cccn2)n1 ZINC000628313041 366806348 /nfs/dbraw/zinc/80/63/48/366806348.db2.gz ZUMPPPXOCJJBAG-UHFFFAOYSA-N 0 0 301.394 2.112 10 30 DEEERN C=CC(C)(C)CCNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000628318498 366807580 /nfs/dbraw/zinc/80/75/80/366807580.db2.gz HPCCSAFDFJGABU-KBPBESRZSA-N 0 0 320.433 2.270 10 30 DEEERN C=CC(C)(C)CCNC(=O)CCNS(=O)(=O)c1ccccc1 ZINC000628318650 366809156 /nfs/dbraw/zinc/80/91/56/366809156.db2.gz OIIILNFKPPWABU-UHFFFAOYSA-N 0 0 324.446 2.074 10 30 DEEERN CCOc1cccc(CCNC(=O)c2ccc(C#N)s2)n1 ZINC000610760373 361461692 /nfs/dbraw/zinc/46/16/92/361461692.db2.gz CZJASWSQUJHTAN-UHFFFAOYSA-N 0 0 301.371 2.386 10 30 DEEERN Cn1cc([C@@H](NC(=O)c2ccc(C#N)c(O)c2)C(F)(F)F)cn1 ZINC000446920663 238844925 /nfs/dbraw/zinc/84/49/25/238844925.db2.gz BNIDLACZGPORDE-GFCCVEGCSA-N 0 0 324.262 2.031 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCc2c[nH]nc2C1 ZINC000611009220 361512937 /nfs/dbraw/zinc/51/29/37/361512937.db2.gz HYLCRXRLBGGOLT-QGZVFWFLSA-N 0 0 324.384 2.270 10 30 DEEERN CC1(C#N)CCN(C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000611544108 361626965 /nfs/dbraw/zinc/62/69/65/361626965.db2.gz SNXGSWRIUDZHKB-UHFFFAOYSA-N 0 0 314.380 2.051 10 30 DEEERN N#CCCCN1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000611673285 361654848 /nfs/dbraw/zinc/65/48/48/361654848.db2.gz RADKHDGGPBNFKH-OAHLLOKOSA-N 0 0 307.419 2.196 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CS[C@@H](C)C1 ZINC000611961447 361714059 /nfs/dbraw/zinc/71/40/59/361714059.db2.gz IRFPGOSMWITYBU-CRWXNKLISA-N 0 0 310.463 2.248 10 30 DEEERN C[S@](=O)c1ccc(C(=O)NCC2CCC(C#N)CC2)cc1 ZINC000619664038 363850830 /nfs/dbraw/zinc/85/08/30/363850830.db2.gz ZIISPVQEKMKQEY-BOOFNHFASA-N 0 0 304.415 2.484 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1n[nH]cc1C ZINC000619669054 363851329 /nfs/dbraw/zinc/85/13/29/363851329.db2.gz NJPASPALTIJVMM-UHFFFAOYSA-N 0 0 300.318 2.455 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000620130608 363964625 /nfs/dbraw/zinc/96/46/25/363964625.db2.gz LFIKZFAVCGKMPN-HOTGVXAUSA-N 0 0 301.386 2.289 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000620135856 363968077 /nfs/dbraw/zinc/96/80/77/363968077.db2.gz DAZBQWHSRMTOGU-KBPBESRZSA-N 0 0 317.385 2.369 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000620302993 364012571 /nfs/dbraw/zinc/01/25/71/364012571.db2.gz FDJJYKRZCQJGLJ-JTDSTZFVSA-N 0 0 310.397 2.154 10 30 DEEERN C=CCn1cc(C(=O)NCC(F)(F)c2ccccc2C)nn1 ZINC000620182121 363984926 /nfs/dbraw/zinc/98/49/26/363984926.db2.gz PVFPQVZLZUQNPX-UHFFFAOYSA-N 0 0 306.316 2.294 10 30 DEEERN C=C[C@@](C)(O)C(=O)Nc1nc2cc(OC)c(OC)cc2s1 ZINC000621360271 364369049 /nfs/dbraw/zinc/36/90/49/364369049.db2.gz ODRLJVKPZLLZSH-CQSZACIVSA-N 0 0 308.359 2.189 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)C1 ZINC000628485947 366863708 /nfs/dbraw/zinc/86/37/08/366863708.db2.gz XSOCFMQGHMXLSU-HNNXBMFYSA-N 0 0 319.449 2.339 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C2CCN(Cc3nccn3C)CC2)C1 ZINC000628485251 366863813 /nfs/dbraw/zinc/86/38/13/366863813.db2.gz FWPBRLJTHSLKLU-OAHLLOKOSA-N 0 0 316.449 2.057 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)C1 ZINC000628484791 366863987 /nfs/dbraw/zinc/86/39/87/366863987.db2.gz VIVNOVFNUPELGA-LBPRGKRZSA-N 0 0 319.430 2.237 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C[C@@H]2Oc3ccccc3NC2=O)C1 ZINC000628484797 366864082 /nfs/dbraw/zinc/86/40/82/366864082.db2.gz VJPDXSXQKWXUEY-WFASDCNBSA-N 0 0 300.358 2.201 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCC)c2)C1 ZINC000628483184 366864208 /nfs/dbraw/zinc/86/42/08/366864208.db2.gz ILIKEXVMVLMSLC-ZDUSSCGKSA-N 0 0 322.430 2.023 10 30 DEEERN C=CC[C@H]1CCN(C(=O)[C@H]2CCc3nnc(C4CC4)n3C2)C1 ZINC000628492555 366866272 /nfs/dbraw/zinc/86/62/72/366866272.db2.gz XIXFCAHQCSIUTB-JSGCOSHPSA-N 0 0 300.406 2.143 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C)nc(C(C)C)n1 ZINC000622790872 364797344 /nfs/dbraw/zinc/79/73/44/364797344.db2.gz IZFMOPVSZNSYBO-ZDUSSCGKSA-N 0 0 304.394 2.318 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc2c(n1)CCCC2=O ZINC000622881726 364819986 /nfs/dbraw/zinc/81/99/86/364819986.db2.gz MDELTCDVDOEEAE-AWEZNQCLSA-N 0 0 315.373 2.010 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(C#N)cc1C(C)=O ZINC000622881283 364819993 /nfs/dbraw/zinc/81/99/93/364819993.db2.gz WPLKXKWEYBTCGE-INIZCTEOSA-N 0 0 313.357 2.170 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCc1nnc2n1CCCCC2 ZINC000623399216 365015616 /nfs/dbraw/zinc/01/56/16/365015616.db2.gz BKZLOCHERLZOQV-UHFFFAOYSA-N 0 0 305.426 2.406 10 30 DEEERN C=CCC[C@@H](NC(=O)N[C@H]1C[C@H](C(N)=O)C1)c1ccccc1 ZINC000623785956 365175078 /nfs/dbraw/zinc/17/50/78/365175078.db2.gz NZNAYGKITOUGFV-RBSFLKMASA-N 0 0 301.390 2.257 10 30 DEEERN CCc1nc(NC(=O)c2ccncc2C#CCO)sc1C ZINC000091458557 193058336 /nfs/dbraw/zinc/05/83/36/193058336.db2.gz TXAURNQDYHRJGL-UHFFFAOYSA-N 0 0 301.371 2.005 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCC1(S(C)(=O)=O)CCCC1 ZINC000624053103 365267605 /nfs/dbraw/zinc/26/76/05/365267605.db2.gz YPLWJTWYWBYEBZ-UHFFFAOYSA-N 0 0 316.467 2.245 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2ccc(OC)nc2OC)C1 ZINC000624091907 365287528 /nfs/dbraw/zinc/28/75/28/365287528.db2.gz SQAHQJYJYZSYMY-LBPRGKRZSA-N 0 0 305.378 2.206 10 30 DEEERN N#C[C@@H]1CNCCN1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000091748177 193101510 /nfs/dbraw/zinc/10/15/10/193101510.db2.gz ZGYMBVBYEMPKAP-CYBMUJFWSA-N 0 0 302.765 2.292 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCc2c(cccc2C(N)=O)C1 ZINC000624460320 365428777 /nfs/dbraw/zinc/42/87/77/365428777.db2.gz RWEATVNXYIXSJY-UHFFFAOYSA-N 0 0 315.417 2.456 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000624462805 365430139 /nfs/dbraw/zinc/43/01/39/365430139.db2.gz FNSCNETVVPMOGJ-GJZGRUSLSA-N 0 0 309.454 2.093 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCCS(=O)(=O)c1ccccc1 ZINC000624468118 365431659 /nfs/dbraw/zinc/43/16/59/365431659.db2.gz UXVGJFXJMALMIP-UHFFFAOYSA-N 0 0 324.446 2.362 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCN(Cc2cc(C)no2)CC1 ZINC000624470170 365433641 /nfs/dbraw/zinc/43/36/41/365433641.db2.gz RJFQVYXVIAVPQE-UHFFFAOYSA-N 0 0 320.437 2.413 10 30 DEEERN C=CCN(C)C(=O)NCc1cc(Br)cnc1OC ZINC000624632141 365496464 /nfs/dbraw/zinc/49/64/64/365496464.db2.gz JCDLTMHNDLSKLO-UHFFFAOYSA-N 0 0 314.183 2.180 10 30 DEEERN C=CCC1(C(=O)Nc2cnc(OC)c(OC)c2)CCOCC1 ZINC000628645080 366912976 /nfs/dbraw/zinc/91/29/76/366912976.db2.gz UIUPBGSNFZTWGO-UHFFFAOYSA-N 0 0 306.362 2.410 10 30 DEEERN CC(C)C[C@](C)(C#N)NC(=O)c1c(Br)cnn1C ZINC000449828450 241137035 /nfs/dbraw/zinc/13/70/35/241137035.db2.gz XCXDATOVULANKC-GFCCVEGCSA-N 0 0 313.199 2.241 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cncc(OCCC)c1 ZINC000628822142 366980234 /nfs/dbraw/zinc/98/02/34/366980234.db2.gz OQVFUZDBGCMHLY-HNNXBMFYSA-N 0 0 305.378 2.280 10 30 DEEERN C=CCNC(=O)[C@@H](C)Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C ZINC000629274105 367146372 /nfs/dbraw/zinc/14/63/72/367146372.db2.gz ZWQGPBBFFUGKKI-NWDGAFQWSA-N 0 0 301.390 2.259 10 30 DEEERN C=C(CN1C(=O)N[C@H](C[C@H]2CCCOC2)C1=O)c1ccccc1 ZINC000629470078 367210028 /nfs/dbraw/zinc/21/00/28/367210028.db2.gz HXEDUVZZWSRHCB-GDBMZVCRSA-N 0 0 314.385 2.437 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O ZINC000629478058 367213845 /nfs/dbraw/zinc/21/38/45/367213845.db2.gz RBPXNPVUUWLNJX-GDZNZVCISA-N 0 0 306.406 2.468 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2ccc3c(c2)NC(=O)CS3)C1=O ZINC000630504212 367694603 /nfs/dbraw/zinc/69/46/03/367694603.db2.gz AUYNMWAPLRFZIW-NSHDSACASA-N 0 0 317.370 2.122 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2ccc(OCCOC)cc2C)C1=O ZINC000630509726 367697753 /nfs/dbraw/zinc/69/77/53/367697753.db2.gz BPFZLBQEQLIYQR-CQSZACIVSA-N 0 0 318.373 2.411 10 30 DEEERN C=C1CC(C)(C(=O)NCCN2CCN(c3ccccc3)CC2)C1 ZINC000630712432 367806217 /nfs/dbraw/zinc/80/62/17/367806217.db2.gz AXCLXCWAKPPQJB-UHFFFAOYSA-N 0 0 313.445 2.281 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccnc(N3CCCC3)c2)C1=O ZINC000630969120 367942378 /nfs/dbraw/zinc/94/23/78/367942378.db2.gz YOVOSFPPNNBKOD-CQSZACIVSA-N 0 0 314.389 2.068 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@@H](C)Oc2ccc(F)cc2)C1=O ZINC000630973858 367944907 /nfs/dbraw/zinc/94/49/07/367944907.db2.gz GBYIAICWQHYAGY-BXUZGUMPSA-N 0 0 306.337 2.480 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2cn(C)nc2-c2ccccc2)C1=O ZINC000630974591 367945029 /nfs/dbraw/zinc/94/50/29/367945029.db2.gz FXLXBKSONAUCKA-HNNXBMFYSA-N 0 0 324.384 2.474 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H](C[C@H](C)O)c2ccccc2)C1=O ZINC000630978857 367948731 /nfs/dbraw/zinc/94/87/31/367948731.db2.gz NDBAOYOGJXVRLU-BPUTZDHNSA-N 0 0 316.401 2.428 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2CCOc3c(OC)cccc32)C1=O ZINC000630983580 367949339 /nfs/dbraw/zinc/94/93/39/367949339.db2.gz WIGBIZJNJILSPD-CHWSQXEVSA-N 0 0 316.357 2.405 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@@H]2Cc3ccccc3CO2)C1=O ZINC000630986966 367953099 /nfs/dbraw/zinc/95/30/99/367953099.db2.gz TVGNVONACOYMRD-LSDHHAIUSA-N 0 0 300.358 2.015 10 30 DEEERN O=C(Nc1ncc(C#CCO)s1)[C@@H]1Cc2ccccc2S1 ZINC000092232629 193177116 /nfs/dbraw/zinc/17/71/16/193177116.db2.gz JGOQXAXRZIZWDO-ZDUSSCGKSA-N 0 0 316.407 2.142 10 30 DEEERN C=C1CC(C)(C(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)C1 ZINC000631761303 368374630 /nfs/dbraw/zinc/37/46/30/368374630.db2.gz QZDIQWSVYSPSJN-ZDUSSCGKSA-N 0 0 314.385 2.273 10 30 DEEERN C=C1CC(C)(C(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)C1 ZINC000631826439 368406733 /nfs/dbraw/zinc/40/67/33/368406733.db2.gz NBYPZGVXTGJTLD-ZDUSSCGKSA-N 0 0 303.358 2.436 10 30 DEEERN C=CCc1ccc(OCC(=O)N2CC(C)(OCC)C2)c(OC)c1 ZINC000452275310 244096828 /nfs/dbraw/zinc/09/68/28/244096828.db2.gz YLWLNNHWFYNVJO-UHFFFAOYSA-N 0 0 319.401 2.440 10 30 DEEERN N#Cc1ccc(Cl)cc1Nc1ccc(S(N)(=O)=O)c(N)c1 ZINC000093199225 193215609 /nfs/dbraw/zinc/21/56/09/193215609.db2.gz BOQHJVMDYDNHPX-UHFFFAOYSA-N 0 0 322.777 2.185 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CC[C@](O)(C(F)F)C2)cc1 ZINC000452687554 244507900 /nfs/dbraw/zinc/50/79/00/244507900.db2.gz QTNDPTRUFPMNDY-MRXNPFEDSA-N 0 0 311.328 2.022 10 30 DEEERN CC[C@H](C)CN(CC)S(=O)(=O)c1cccc(C#CCO)c1 ZINC000093265086 193223242 /nfs/dbraw/zinc/22/32/42/193223242.db2.gz JAKSGKHMTZVTSV-AWEZNQCLSA-N 0 0 309.431 2.087 10 30 DEEERN CC(C)N[C@@]1(C#N)CCC[C@@H]1CCSCCS(C)(=O)=O ZINC000093581516 193270066 /nfs/dbraw/zinc/27/00/66/193270066.db2.gz PMPPKIWMESPVLJ-ZIAGYGMSSA-N 0 0 318.508 2.215 10 30 DEEERN N#Cc1ccc2ncc(CN3CCO[C@@H](c4ccco4)C3)n2c1 ZINC000093841408 193316358 /nfs/dbraw/zinc/31/63/58/193316358.db2.gz ZMUCYCHDUBSIKP-MRXNPFEDSA-N 0 0 308.341 2.372 10 30 DEEERN CCO[C@H]1CCCN(C(=O)c2csc(C#CCCO)c2)C1 ZINC000093974564 193332751 /nfs/dbraw/zinc/33/27/51/193332751.db2.gz JVGBLUQQCQAWIH-AWEZNQCLSA-N 0 0 307.415 2.123 10 30 DEEERN O=C(c1csc(C#CCO)c1)N1CCc2sccc2C1 ZINC000093973584 193332999 /nfs/dbraw/zinc/33/29/99/193332999.db2.gz FNKMVOOJBYQJKC-UHFFFAOYSA-N 0 0 303.408 2.352 10 30 DEEERN COC(=O)[C@H](C)CN(C)c1nc(C(F)(F)F)ccc1C#N ZINC000094335172 193360252 /nfs/dbraw/zinc/36/02/52/193360252.db2.gz DRSWNJKIVSTQID-MRVPVSSYSA-N 0 0 301.268 2.217 10 30 DEEERN CC(C)(C)OC(=O)c1cccc(C(=O)N2CCO[C@H](C#N)C2)c1 ZINC000094123161 193346324 /nfs/dbraw/zinc/34/63/24/193346324.db2.gz NSEUKRUJLFRRHW-CQSZACIVSA-N 0 0 316.357 2.006 10 30 DEEERN CSC1(C#N)CCN([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094636525 193387207 /nfs/dbraw/zinc/38/72/07/193387207.db2.gz GNGDOUHTVSQNMA-CHWSQXEVSA-N 0 0 316.492 2.063 10 30 DEEERN OCC#Cc1ccc(O[C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000094408394 193367501 /nfs/dbraw/zinc/36/75/01/193367501.db2.gz IUUBWCQLSOLDNN-SJORKVTESA-N 0 0 304.411 2.464 10 30 DEEERN Cc1cc(C(=O)NCCC(F)(F)F)sc1C#CCCO ZINC000094535330 193377129 /nfs/dbraw/zinc/37/71/29/193377129.db2.gz QIMCFZGLJBLYPV-UHFFFAOYSA-N 0 0 305.321 2.473 10 30 DEEERN C[C@@H](C#N)CN(C)C(=O)c1cc(C(F)(F)F)ccc1NN ZINC000094596504 193382499 /nfs/dbraw/zinc/38/24/99/193382499.db2.gz FGGVQADXYNUVAQ-QMMMGPOBSA-N 0 0 300.284 2.223 10 30 DEEERN C=CC(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000453884141 245340310 /nfs/dbraw/zinc/34/03/10/245340310.db2.gz VWQCOYCNBWIHRR-UHFFFAOYSA-N 0 0 302.374 2.279 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCO[C@H]1C=C ZINC000453929475 245360357 /nfs/dbraw/zinc/36/03/57/245360357.db2.gz JDQPUCWADXQCHZ-CVEARBPZSA-N 0 0 314.385 2.203 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(-c2nncn2C)cc1 ZINC000278191394 214014751 /nfs/dbraw/zinc/01/47/51/214014751.db2.gz DXJKINVPZOJSFN-HUUCEWRRSA-N 0 0 312.373 2.402 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(OC)nc1Cl ZINC000271709991 209144801 /nfs/dbraw/zinc/14/48/01/209144801.db2.gz XPBKJABVFFBXTM-UHFFFAOYSA-N 0 0 311.769 2.107 10 30 DEEERN C=CCOc1ccc(OC(=O)[C@H]2CSCN2C(=O)CC)cc1 ZINC000266288766 205240331 /nfs/dbraw/zinc/24/03/31/205240331.db2.gz DUYUPZHDGVTTLS-CQSZACIVSA-N 0 0 321.398 2.468 10 30 DEEERN O=CC1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000019678428 182135767 /nfs/dbraw/zinc/13/57/67/182135767.db2.gz XZONUIYXLJGEKI-UHFFFAOYSA-N 0 0 307.415 2.165 10 30 DEEERN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(O)c(O)c2)c(C)c1 ZINC000020357067 182211220 /nfs/dbraw/zinc/21/12/20/182211220.db2.gz CMVUUFJKLOOALJ-CXUHLZMHSA-N 0 0 320.370 2.027 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC000454807205 246168498 /nfs/dbraw/zinc/16/84/98/246168498.db2.gz LHQJQKWXCHHMHE-BFHYXJOUSA-N 0 0 314.451 2.092 10 30 DEEERN C=C(C)CCNC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000454851820 246200281 /nfs/dbraw/zinc/20/02/81/246200281.db2.gz QRDSQDALDUNEIQ-HNNXBMFYSA-N 0 0 319.380 2.192 10 30 DEEERN N#CCSCC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000024621914 182385422 /nfs/dbraw/zinc/38/54/22/182385422.db2.gz YNBLONLTOYVQKO-UHFFFAOYSA-N 0 0 303.362 2.448 10 30 DEEERN C=CCC[C@H](NC(=O)c1cccc(OC)c1F)C(=O)OCC ZINC000456600205 247300618 /nfs/dbraw/zinc/30/06/18/247300618.db2.gz DMIRITSUDJEPFQ-LBPRGKRZSA-N 0 0 309.337 2.462 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000456752998 247396876 /nfs/dbraw/zinc/39/68/76/247396876.db2.gz DUVRZNUAUYPGIK-HNNXBMFYSA-N 0 0 307.438 2.142 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000456754585 247398654 /nfs/dbraw/zinc/39/86/54/247398654.db2.gz IPCYMKZVEBPIFB-WQVCFCJDSA-N 0 0 316.401 2.338 10 30 DEEERN C=C(CC)CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000456831102 247446690 /nfs/dbraw/zinc/44/66/90/247446690.db2.gz SJNNEIRMINRGKB-UHFFFAOYSA-N 0 0 301.795 2.196 10 30 DEEERN N#CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000037242684 182874906 /nfs/dbraw/zinc/87/49/06/182874906.db2.gz BQNAXOMTFYUWQF-UHFFFAOYSA-N 0 0 306.536 2.225 10 30 DEEERN COCCN(Cc1ccc(C)o1)C(=O)c1cc(C#N)cn1C ZINC000158761687 291645701 /nfs/dbraw/zinc/64/57/01/291645701.db2.gz NCEAUPWSYVGVOO-UHFFFAOYSA-N 0 0 301.346 2.087 10 30 DEEERN COC1CCC(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000458061260 248132671 /nfs/dbraw/zinc/13/26/71/248132671.db2.gz KJACIEBTLSGREV-QWQCLYJRSA-N 0 0 324.421 2.322 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)N[C@@H](COC)c1ccc(F)cc1 ZINC000458469250 248325103 /nfs/dbraw/zinc/32/51/03/248325103.db2.gz OJNDNOKASLBEKX-GJZGRUSLSA-N 0 0 310.369 2.140 10 30 DEEERN C=CCC[C@@H](NC(=O)N1CCC[C@](O)(CO)C1)c1ccccc1 ZINC000458566325 248376299 /nfs/dbraw/zinc/37/62/99/248376299.db2.gz HFPCNXTZXUCELM-SJLPKXTDSA-N 0 0 318.417 2.223 10 30 DEEERN N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)c1 ZINC000492109474 249000453 /nfs/dbraw/zinc/00/04/53/249000453.db2.gz RXTKWJJQVYDAMO-GFCCVEGCSA-N 0 0 307.300 2.191 10 30 DEEERN Cc1cccc(Nc2ncnc(N(CC#N)CC#N)c2N)c1C ZINC000040736518 183126436 /nfs/dbraw/zinc/12/64/36/183126436.db2.gz BZAFNIMQFZNEMA-UHFFFAOYSA-N 0 0 307.361 2.273 10 30 DEEERN C=C(Br)COc1ccc(C[C@H](N)C(=O)OC)cc1 ZINC000041041646 183158935 /nfs/dbraw/zinc/15/89/35/183158935.db2.gz OXVGHCARTALHSX-LBPRGKRZSA-N 0 0 314.179 2.017 10 30 DEEERN N#C[C@@H](c1ccccc1F)N1CCN(C(=O)c2ccncc2)CC1 ZINC000041257793 183181608 /nfs/dbraw/zinc/18/16/08/183181608.db2.gz OGWWBGQMIYJKNT-KRWDZBQOSA-N 0 0 324.359 2.243 10 30 DEEERN CC(C)(C#N)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000042105621 183232676 /nfs/dbraw/zinc/23/26/76/183232676.db2.gz IVAPEMKWDFMWFO-UHFFFAOYSA-N 0 0 313.401 2.091 10 30 DEEERN Cc1cccc(C(=O)N(C)Cc2cc(C#CCO)cs2)n1 ZINC000042400996 183264198 /nfs/dbraw/zinc/26/41/98/183264198.db2.gz LYJWPZBEZUFJAD-UHFFFAOYSA-N 0 0 300.383 2.068 10 30 DEEERN C=CCNC(=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 ZINC000044002243 183391805 /nfs/dbraw/zinc/39/18/05/183391805.db2.gz YVSIARFJIXLKOB-AATRIKPKSA-N 0 0 317.389 2.017 10 30 DEEERN CCCN[C@@](C)(C#N)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000045213879 183489676 /nfs/dbraw/zinc/48/96/76/183489676.db2.gz XYZYEDDASDMZLD-OAHLLOKOSA-N 0 0 310.419 2.141 10 30 DEEERN CC(C)n1cc([C@]2(O)CCCN(c3ccc(C#N)cc3)C2)nn1 ZINC000284550966 218074212 /nfs/dbraw/zinc/07/42/12/218074212.db2.gz NPQGSXBOOOFTTG-KRWDZBQOSA-N 0 0 311.389 2.219 10 30 DEEERN CC(C)(C)NC(=O)CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715201 194028846 /nfs/dbraw/zinc/02/88/46/194028846.db2.gz LOHWEINZBPWHHR-UHFFFAOYSA-N 0 0 315.417 2.316 10 30 DEEERN Cc1cnn([C@H]2CCCN(CC(=O)Nc3ccc(C#N)cc3)C2)c1 ZINC000105900156 194165343 /nfs/dbraw/zinc/16/53/43/194165343.db2.gz JGHVQYJJWLHKKM-KRWDZBQOSA-N 0 0 323.400 2.339 10 30 DEEERN Cc1cc(=O)[nH]c(SCc2ccc(C#CCCO)cc2)n1 ZINC000049622994 183748651 /nfs/dbraw/zinc/74/86/51/183748651.db2.gz GILCWPREONGDNE-UHFFFAOYSA-N 0 0 300.383 2.105 10 30 DEEERN Cc1nc(C(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)ccc1C#N ZINC000273615963 210921048 /nfs/dbraw/zinc/92/10/48/210921048.db2.gz QGSLSXNPWMHTPP-UKRRQHHQSA-N 0 0 301.390 2.131 10 30 DEEERN CN1CC[C@@H](CNS(=O)(=O)CCCCC#N)c2ccccc21 ZINC000109339833 194257934 /nfs/dbraw/zinc/25/79/34/194257934.db2.gz JRJXUAPMKKILMX-AWEZNQCLSA-N 0 0 321.446 2.223 10 30 DEEERN C[C@@H](C#N)N1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 ZINC000109445360 194263901 /nfs/dbraw/zinc/26/39/01/194263901.db2.gz NWNCLBMKALHDRA-NSHDSACASA-N 0 0 309.772 2.078 10 30 DEEERN C[C@H](C#N)N1CCN(Cc2ccccc2Br)CC1 ZINC000109452444 194264492 /nfs/dbraw/zinc/26/44/92/194264492.db2.gz IUZHWDSGAVATEL-GFCCVEGCSA-N 0 0 308.223 2.479 10 30 DEEERN CC(C)(C#N)N1CCN(c2ncccc2Br)CC1 ZINC000109465907 194267366 /nfs/dbraw/zinc/26/73/66/194267366.db2.gz PONAATLKAYYHTH-UHFFFAOYSA-N 0 0 309.211 2.268 10 30 DEEERN C[C@H](C#N)CNS(=O)(=O)c1ccc2nc(Cl)ccc2c1 ZINC000054157993 183927329 /nfs/dbraw/zinc/92/73/29/183927329.db2.gz DYFFLUHOOKEHQR-SECBINFHSA-N 0 0 309.778 2.326 10 30 DEEERN CC[C@@H](C)CNS(=O)(=O)c1ccc(C#CCO)cc1Cl ZINC000054491209 183941993 /nfs/dbraw/zinc/94/19/93/183941993.db2.gz KEMUUSFYVJZETK-LLVKDONJSA-N 0 0 315.822 2.008 10 30 DEEERN COC(=O)CCCCCNC(=O)NCc1cccc(C#N)c1 ZINC000046040070 269699960 /nfs/dbraw/zinc/69/99/60/269699960.db2.gz CATDHSWYRUHSOH-UHFFFAOYSA-N 0 0 303.362 2.091 10 30 DEEERN CN(C(=O)c1c[nH]c(=NN)c(Cl)c1)c1cccc(C#N)c1 ZINC000061949891 184198389 /nfs/dbraw/zinc/19/83/89/184198389.db2.gz XRIGAPLSBGFIMW-UHFFFAOYSA-N 0 0 301.737 2.169 10 30 DEEERN Cc1cc(N)ccc1S(=O)(=O)N(C)c1ccc(C#N)cc1 ZINC000061979691 184199698 /nfs/dbraw/zinc/19/96/98/184199698.db2.gz CTWYCWGIGQSDES-UHFFFAOYSA-N 0 0 301.371 2.274 10 30 DEEERN C[C@H](CC#N)N(C)CC(=O)Nc1nc2ccc(N)cc2s1 ZINC000063084967 184269601 /nfs/dbraw/zinc/26/96/01/184269601.db2.gz LFDIMQXWPKHCGV-SECBINFHSA-N 0 0 303.391 2.051 10 30 DEEERN CCCN[C@@H](C#N)CCSc1ccc(S(C)(=O)=O)cc1 ZINC000063131766 184272311 /nfs/dbraw/zinc/27/23/11/184272311.db2.gz UTFBUELYQHTZAY-GFCCVEGCSA-N 0 0 312.460 2.464 10 30 DEEERN CC1(C)CN(C(=O)c2sccc2C#CCCO)CCS1 ZINC000159023126 197319651 /nfs/dbraw/zinc/31/96/51/197319651.db2.gz KUWIWPYHCASPHN-UHFFFAOYSA-N 0 0 309.456 2.450 10 30 DEEERN N#Cc1cc(Br)ccc1NC(=O)N1CCOCC1 ZINC000158787274 197301380 /nfs/dbraw/zinc/30/13/80/197301380.db2.gz JATANSPNEQIODR-UHFFFAOYSA-N 0 0 310.151 2.185 10 30 DEEERN CC[C@@H]1CN(C(=O)c2cc(C#CCO)ccc2C)CCS1 ZINC000157975731 197232276 /nfs/dbraw/zinc/23/22/76/197232276.db2.gz XQYSJEUAHHADAH-OAHLLOKOSA-N 0 0 303.427 2.306 10 30 DEEERN N#C[C@]1(Cc2cc(Cl)ccc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000157586821 197199540 /nfs/dbraw/zinc/19/95/40/197199540.db2.gz IDXIDTNMGGLNEW-GFCCVEGCSA-N 0 0 314.750 2.119 10 30 DEEERN CC(C)(C)c1ccc([C@H](O)[C@]2(C#N)CCS(=O)(=O)C2)s1 ZINC000157664844 197205794 /nfs/dbraw/zinc/20/57/94/197205794.db2.gz UCMJDLXUCYPWNT-JSGCOSHPSA-N 0 0 313.444 2.407 10 30 DEEERN C=CCn1ncc(N[C@H](CC)COC)c(Br)c1=O ZINC000157641228 197203525 /nfs/dbraw/zinc/20/35/25/197203525.db2.gz WOOSYXPRFZPNFQ-SECBINFHSA-N 0 0 316.199 2.029 10 30 DEEERN CO[C@H](C)c1noc(CN2CCC[C@]3(CCCCO3)[C@H]2C#N)n1 ZINC000369312032 533130711 /nfs/dbraw/zinc/13/07/11/533130711.db2.gz KEVGGIGSQGMQPA-XJKCOSOUSA-N 0 0 320.393 2.204 10 30 DEEERN COc1cnccc1[C@@H](C)NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329428512 533135406 /nfs/dbraw/zinc/13/54/06/533135406.db2.gz JQBIVLYGEBWZNE-RAIGVLPGSA-N 0 0 318.377 2.116 10 30 DEEERN O=C(NC[C@H]1CCCCS1)c1ccc(C#CCCO)cc1 ZINC000156557739 197122559 /nfs/dbraw/zinc/12/25/59/197122559.db2.gz UWDKZYXLEMHMNY-MRXNPFEDSA-N 0 0 303.427 2.436 10 30 DEEERN COC[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H](C)O1 ZINC000188233684 533167969 /nfs/dbraw/zinc/16/79/69/533167969.db2.gz VKVTXODWAQMMPY-XJKSGUPXSA-N 0 0 314.385 2.118 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000153422995 196877699 /nfs/dbraw/zinc/87/76/99/196877699.db2.gz AASNMODMPXXVKJ-UHFFFAOYSA-N 0 0 315.295 2.464 10 30 DEEERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)[C@@H]2CO[C@@H](C)C2)cn1 ZINC000328954700 533209591 /nfs/dbraw/zinc/20/95/91/533209591.db2.gz IOMSLYYGPZNETH-GZCFXPHUSA-N 0 0 306.362 2.302 10 30 DEEERN COC[C@@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)CC(C)(C)O1 ZINC000285653558 285295323 /nfs/dbraw/zinc/29/53/23/285295323.db2.gz XVEQYFHFTVXSBI-NSHDSACASA-N 0 0 324.327 2.102 10 30 DEEERN N#C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000108835623 224570481 /nfs/dbraw/zinc/57/04/81/224570481.db2.gz ZVWNLQNMESMURF-CQSZACIVSA-N 0 0 302.334 2.205 10 30 DEEERN N#C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000121832115 195358364 /nfs/dbraw/zinc/35/83/64/195358364.db2.gz DGSKLXHHBNRYRT-NSHDSACASA-N 0 0 324.134 2.389 10 30 DEEERN CC(=O)C[C@H]1COCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000121918146 195374464 /nfs/dbraw/zinc/37/44/64/195374464.db2.gz AKSWLJFBBXGMQE-INIZCTEOSA-N 0 0 312.369 2.062 10 30 DEEERN CN(C)C(=O)NCCNc1cc(Br)ccc1C#N ZINC000123386255 195575463 /nfs/dbraw/zinc/57/54/63/195575463.db2.gz AAFPWVWWSDIDTF-UHFFFAOYSA-N 0 0 311.183 2.004 10 30 DEEERN COc1cc(N2CCN(c3ccncc3C#N)CC2)ccc1F ZINC000561346815 291960334 /nfs/dbraw/zinc/96/03/34/291960334.db2.gz SSDYIOKCGKYAHZ-UHFFFAOYSA-N 0 0 312.348 2.428 10 30 DEEERN C=CCOCCCC(=O)N1CCN(CC(F)F)[C@@H](CC)C1 ZINC000125916457 195795049 /nfs/dbraw/zinc/79/50/49/195795049.db2.gz PXCIZAWKMDOALC-ZDUSSCGKSA-N 0 0 304.381 2.157 10 30 DEEERN C[C@@H](CC(=O)N1CCCC(C)(C)[C@H]1C#N)N1CCCCC1=O ZINC000407985392 533411154 /nfs/dbraw/zinc/41/11/54/533411154.db2.gz NTIIRSOHWFKSLQ-UONOGXRCSA-N 0 0 305.422 2.318 10 30 DEEERN COc1cccc(CCNC(=O)Nc2ccc(F)c(C#N)c2)n1 ZINC000441211533 533462969 /nfs/dbraw/zinc/46/29/69/533462969.db2.gz QEQISFGEYGHSCB-UHFFFAOYSA-N 0 0 314.320 2.465 10 30 DEEERN C=C(C)CCNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000452723330 533488368 /nfs/dbraw/zinc/48/83/68/533488368.db2.gz MZQLDQPFZAHMQC-AWEZNQCLSA-N 0 0 306.431 2.364 10 30 DEEERN COc1ccc(-n2ccc(C(=O)Nc3cc(C#N)ccn3)n2)cc1 ZINC000357406675 133076109 /nfs/dbraw/zinc/07/61/09/133076109.db2.gz GDKXXSWIKAUJFY-UHFFFAOYSA-N 0 0 319.324 2.400 10 30 DEEERN N#Cc1ccnc(NC(=O)c2cccnc2OCC(F)F)c1 ZINC000357410100 133076428 /nfs/dbraw/zinc/07/64/28/133076428.db2.gz GNGMRODPWVJGOO-UHFFFAOYSA-N 0 0 304.256 2.244 10 30 DEEERN CC(=O)N(C)c1ccc(C(=O)NCc2ccc(C#N)cc2)cc1 ZINC000362395782 133227489 /nfs/dbraw/zinc/22/74/89/133227489.db2.gz KLRVDOMYQBAYMZ-UHFFFAOYSA-N 0 0 307.353 2.471 10 30 DEEERN N#Cc1cccc(NC(=O)C(=O)Nc2cccc3c2OCCC3)c1 ZINC000372632713 133361215 /nfs/dbraw/zinc/36/12/15/133361215.db2.gz QGEAVLSUGYICIY-UHFFFAOYSA-N 0 0 321.336 2.460 10 30 DEEERN C[C@H](C(=O)N1CC(Oc2ccc(C#N)cc2)C1)C1CCOCC1 ZINC000130278890 144752580 /nfs/dbraw/zinc/75/25/80/144752580.db2.gz UCVQJTHWFLWDFE-ZDUSSCGKSA-N 0 0 314.385 2.211 10 30 DEEERN CNC(=O)CC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000190130678 145038250 /nfs/dbraw/zinc/03/82/50/145038250.db2.gz MRNPZWFZZQEJLH-UHFFFAOYSA-N 0 0 309.325 2.425 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)c3c[nH]nc3C3CC3)C2)cc1 ZINC000191030281 145052314 /nfs/dbraw/zinc/05/23/14/145052314.db2.gz NZHGVGVWDAYJRK-UHFFFAOYSA-N 0 0 308.341 2.062 10 30 DEEERN N#Cc1cc(C(=O)NCCOc2ccc(F)c(F)c2)ccn1 ZINC000193178637 145083565 /nfs/dbraw/zinc/08/35/65/145083565.db2.gz QNFUMZGDVSKUCS-UHFFFAOYSA-N 0 0 303.268 2.040 10 30 DEEERN CCN(C(=O)c1ccnc(C#N)c1)c1ccccc1C(=O)OC ZINC000193285051 145084084 /nfs/dbraw/zinc/08/40/84/145084084.db2.gz UTHBBBHSKZVJPF-UHFFFAOYSA-N 0 0 309.325 2.407 10 30 DEEERN N#Cc1cc(C(=O)Nc2cccc(N3CCCNC3=O)c2)ccn1 ZINC000193381278 145085908 /nfs/dbraw/zinc/08/59/08/145085908.db2.gz PBEKVZLKOFTPRN-UHFFFAOYSA-N 0 0 321.340 2.125 10 30 DEEERN C[C@H]1CN(Cc2ccc(Cl)cc2C#N)C[C@H]1N1CCOCC1 ZINC000248554741 145158779 /nfs/dbraw/zinc/15/87/79/145158779.db2.gz KCBVNFXHSPHIQF-SUMWQHHRSA-N 0 0 319.836 2.364 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCOc1ccc(C#N)cc1 ZINC000248837881 145169644 /nfs/dbraw/zinc/16/96/44/145169644.db2.gz MXPKXDWAPXCPOJ-UAGQMJEPSA-N 0 0 314.385 2.211 10 30 DEEERN Cc1ncc(S(=O)(=O)N(C)Cc2ccccc2)cc1C#N ZINC000309982090 145352055 /nfs/dbraw/zinc/35/20/55/145352055.db2.gz VOSIUDYEBUIPKH-UHFFFAOYSA-N 0 0 301.371 2.082 10 30 DEEERN C[C@@H](c1ccccc1)[C@@H](NC(=O)c1sccc1C#N)C(N)=O ZINC000359233598 147288010 /nfs/dbraw/zinc/28/80/10/147288010.db2.gz UNBGRNNKQKBLSB-GXFFZTMASA-N 0 0 313.382 2.007 10 30 DEEERN Cc1nc(C(=O)N2CC[C@H](O)c3ccccc3C2)ccc1C#N ZINC000374682858 148277824 /nfs/dbraw/zinc/27/78/24/148277824.db2.gz MTWAAEQPGJJQHO-KRWDZBQOSA-N 0 0 307.353 2.341 10 30 DEEERN CC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C#N)c2ccccc2n1 ZINC000344990834 404487938 /nfs/dbraw/zinc/48/79/38/404487938.db2.gz JXNFIGJAZFUXDQ-OAHLLOKOSA-N 0 0 308.341 2.056 10 30 DEEERN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)[nH]1 ZINC000407989002 148551688 /nfs/dbraw/zinc/55/16/88/148551688.db2.gz WHEQTKHEDDKJHI-QXMXGUDHSA-N 0 0 309.373 2.171 10 30 DEEERN N#Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2O)c1Br ZINC000408450758 148607217 /nfs/dbraw/zinc/60/72/17/148607217.db2.gz GBGAYLPXGKRTQJ-NEPJUHHUSA-N 0 0 323.190 2.354 10 30 DEEERN C=CC1CCN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 ZINC000111731619 401722696 /nfs/dbraw/zinc/72/26/96/401722696.db2.gz YTBJKXWLYLXUEY-UHFFFAOYSA-N 0 0 301.346 2.447 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000074043653 401728844 /nfs/dbraw/zinc/72/88/44/401728844.db2.gz YHOJKAJRXMXUDL-GDBMZVCRSA-N 0 0 301.390 2.026 10 30 DEEERN C#CCCCCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000127594517 401741791 /nfs/dbraw/zinc/74/17/91/401741791.db2.gz PQBLSROWCLIWKD-NVXWUHKLSA-N 0 0 316.376 2.265 10 30 DEEERN CC(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000072058673 401702270 /nfs/dbraw/zinc/70/22/70/401702270.db2.gz XGKBWXHVWJQCCL-CQSZACIVSA-N 0 0 317.414 2.444 10 30 DEEERN C=CCNC(=O)[C@H](C)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000126765743 401707135 /nfs/dbraw/zinc/70/71/35/401707135.db2.gz BMMVZNTXCQKVNS-DVOMOZLQSA-N 0 0 306.381 2.278 10 30 DEEERN N#Cc1cnc(N[C@H]2CCN(c3c(F)cccc3F)C2)cn1 ZINC000126851860 401710854 /nfs/dbraw/zinc/71/08/54/401710854.db2.gz XWLPQNOGGFVNOI-JTQLQIEISA-N 0 0 301.300 2.317 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cc(C)n[nH]1 ZINC000128972299 401797228 /nfs/dbraw/zinc/79/72/28/401797228.db2.gz ZXIRNQPQLPIVSO-UHFFFAOYSA-N 0 0 314.345 2.384 10 30 DEEERN C[C@@H]1CC[C@H](C)N(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000076729905 401799439 /nfs/dbraw/zinc/79/94/39/401799439.db2.gz ZKNCTIYOYGZBSM-MNOVXSKESA-N 0 0 303.337 2.283 10 30 DEEERN CN(CC(=O)Nc1cc(Cl)ccc1C#N)C[C@H]1CCCO1 ZINC000076299298 401789717 /nfs/dbraw/zinc/78/97/17/401789717.db2.gz OKIHTJFEONRLSQ-CYBMUJFWSA-N 0 0 307.781 2.261 10 30 DEEERN CN(Cc1cccc(C#N)c1)C(=O)c1cccc(-n2cncn2)c1 ZINC000115329368 401824469 /nfs/dbraw/zinc/82/44/69/401824469.db2.gz CKKBQBJVWADARH-UHFFFAOYSA-N 0 0 317.352 2.411 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116112376 401842061 /nfs/dbraw/zinc/84/20/61/401842061.db2.gz ZBXFYXHVILOHNU-ZFWWWQNUSA-N 0 0 324.384 2.075 10 30 DEEERN Cn1cccc1[C@H]1COCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000131787978 401856713 /nfs/dbraw/zinc/85/67/13/401856713.db2.gz WDHQURCONOBYKI-MSOLQXFVSA-N 0 0 311.385 2.004 10 30 DEEERN C=C(C)COCCNC(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000135033538 401924986 /nfs/dbraw/zinc/92/49/86/401924986.db2.gz SXRLNINOHVSJLS-UHFFFAOYSA-N 0 0 322.796 2.380 10 30 DEEERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(C#N)cc1 ZINC000087049130 401926696 /nfs/dbraw/zinc/92/66/96/401926696.db2.gz YLUVCRPSLYKNGX-AWEZNQCLSA-N 0 0 324.388 2.046 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCCCOCCc1ccccc1 ZINC000081034049 401893948 /nfs/dbraw/zinc/89/39/48/401893948.db2.gz MTOPSHUFDBEZII-UHFFFAOYSA-N 0 0 311.385 2.276 10 30 DEEERN CCOc1cc(CNC(=O)c2cc(C#N)cn2C)ccc1OC ZINC000081538235 401896488 /nfs/dbraw/zinc/89/64/88/401896488.db2.gz KRABZTVGQOTJMB-UHFFFAOYSA-N 0 0 313.357 2.234 10 30 DEEERN C=C(C)COCCNC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000136192475 401962523 /nfs/dbraw/zinc/96/25/23/401962523.db2.gz DNYDRBRLIPMCIK-UHFFFAOYSA-N 0 0 321.327 2.473 10 30 DEEERN CCOC(=O)CC[C@H](C)NC(=O)CSc1ccc(C#N)cc1 ZINC000089803795 401964711 /nfs/dbraw/zinc/96/47/11/401964711.db2.gz VZJGWNLQFGWBRB-LBPRGKRZSA-N 0 0 320.414 2.498 10 30 DEEERN C#CCSCCNC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000120075374 401976910 /nfs/dbraw/zinc/97/69/10/401976910.db2.gz ANXHUJWOPMJVQO-CQSZACIVSA-N 0 0 308.403 2.037 10 30 DEEERN CC(=O)N[C@@H](C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091050292 401991286 /nfs/dbraw/zinc/99/12/86/401991286.db2.gz MFHUQZSUPUUMSN-ZDUSSCGKSA-N 0 0 321.380 2.366 10 30 DEEERN C=CCN(Cc1ccccc1F)S(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000135537175 401943681 /nfs/dbraw/zinc/94/36/81/401943681.db2.gz QSSZVCDKWSLHKM-DOMZBBRYSA-N 0 0 313.394 2.321 10 30 DEEERN C#CCOc1ccc(C(=O)Nc2cc(-c3nccn3C)[nH]n2)cc1 ZINC000119364417 401944710 /nfs/dbraw/zinc/94/47/10/401944710.db2.gz OWCFGTKEHQOKHV-UHFFFAOYSA-N 0 0 321.340 2.075 10 30 DEEERN CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)N(CC)CCC#N)C12CCCC2 ZINC000121175567 402018713 /nfs/dbraw/zinc/01/87/13/402018713.db2.gz HROPSMGUADBUQZ-CVEARBPZSA-N 0 0 321.465 2.418 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@@H]([S@@](=O)c2cc(C#N)ccn2)C1 ZINC000095083399 402024841 /nfs/dbraw/zinc/02/48/41/402024841.db2.gz RKVCIOCRJPDCDN-IPQOISQHSA-N 0 0 321.402 2.070 10 30 DEEERN Cc1noc([C@@H](C)N2CCN(Cc3ccc(C#N)s3)CC2)n1 ZINC000121321609 402028348 /nfs/dbraw/zinc/02/83/48/402028348.db2.gz SWZFBKXEWRKGOV-LLVKDONJSA-N 0 0 317.418 2.190 10 30 DEEERN N#Cc1ccsc1C(=O)NCc1cccnc1-n1ccnc1 ZINC000052034621 402039398 /nfs/dbraw/zinc/03/93/98/402039398.db2.gz MWVBEKCRKRFZSJ-UHFFFAOYSA-N 0 0 309.354 2.130 10 30 DEEERN C=CCN(C/C=C/c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000092361351 402004464 /nfs/dbraw/zinc/00/44/64/402004464.db2.gz BDJMBVUWESJLBY-BVBGJJFLSA-N 0 0 321.442 2.384 10 30 DEEERN C[C@H](NCc1cnc2ccc(C#N)cn12)c1nnc2ccccn21 ZINC000123214118 402116424 /nfs/dbraw/zinc/11/64/24/402116424.db2.gz PDMCOLQGLGIOJN-LBPRGKRZSA-N 0 0 317.356 2.099 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cnn(CCCC)c1C ZINC000153441999 402145553 /nfs/dbraw/zinc/14/55/53/402145553.db2.gz YVLXBWMSRZQJIN-UHFFFAOYSA-N 0 0 306.410 2.355 10 30 DEEERN CCc1nnc(N[C@H]2CCc3nc(C)cn3C2)c(C#N)c1CC ZINC000123980435 402157724 /nfs/dbraw/zinc/15/77/24/402157724.db2.gz RGYIWJMHADOVRA-LBPRGKRZSA-N 0 0 310.405 2.405 10 30 DEEERN COC[C@@H](C)C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000103433604 402187960 /nfs/dbraw/zinc/18/79/60/402187960.db2.gz HVZRQTIQFHWHFF-SKDRFNHKSA-N 0 0 311.179 2.412 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCCCOC1CCOCC1 ZINC000125250277 402221494 /nfs/dbraw/zinc/22/14/94/402221494.db2.gz GCFCRLAPBKMBEF-UHFFFAOYSA-N 0 0 302.374 2.182 10 30 DEEERN C#CCCCCNC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000154885994 402236889 /nfs/dbraw/zinc/23/68/89/402236889.db2.gz LQYIYUONKVCQOM-INIZCTEOSA-N 0 0 317.437 2.120 10 30 DEEERN Cc1cc2nc(C)c(CCC(=O)N[C@H](C#N)C3CC3)c(C)n2n1 ZINC000108828122 402261940 /nfs/dbraw/zinc/26/19/40/402261940.db2.gz YBZHXICYTIQWAX-OAHLLOKOSA-N 0 0 311.389 2.006 10 30 DEEERN C=CCn1c(=S)sc2c1ncn(CC(=O)C1CC1)c2=O ZINC000109197563 402269536 /nfs/dbraw/zinc/26/95/36/402269536.db2.gz MMUNERPIGQUDRB-UHFFFAOYSA-N 0 0 307.400 2.154 10 30 DEEERN N#Cc1cc(F)c(C(=O)N2CCN3CCCC[C@@H]3C2)c(F)c1 ZINC000176084670 402276930 /nfs/dbraw/zinc/27/69/30/402276930.db2.gz VQWYHHCKLKUZNQ-GFCCVEGCSA-N 0 0 305.328 2.147 10 30 DEEERN N#Cc1cc(F)c(C(=O)N2CCN3CCCC[C@H]3C2)c(F)c1 ZINC000176084691 402276986 /nfs/dbraw/zinc/27/69/86/402276986.db2.gz VQWYHHCKLKUZNQ-LBPRGKRZSA-N 0 0 305.328 2.147 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000184574921 402277989 /nfs/dbraw/zinc/27/79/89/402277989.db2.gz WCSNLZONTKOWSV-CYBMUJFWSA-N 0 0 303.362 2.404 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCCCNC(=O)c1cccc(O)c1 ZINC000184710577 402293793 /nfs/dbraw/zinc/29/37/93/402293793.db2.gz HXHCBYQSCBCNMM-ZDUSSCGKSA-N 0 0 304.390 2.231 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(C[C@@H](C)C(=O)OC)cc1 ZINC000184882513 402306965 /nfs/dbraw/zinc/30/69/65/402306965.db2.gz FEUHCCDSAWLWCW-DOMZBBRYSA-N 0 0 320.389 2.097 10 30 DEEERN Cc1ccc([C@H](CNC(=O)C(C)(C)C#N)N2CCOCC2)s1 ZINC000176566728 402320135 /nfs/dbraw/zinc/32/01/35/402320135.db2.gz YOJWZIXKYBUHPU-ZDUSSCGKSA-N 0 0 321.446 2.096 10 30 DEEERN Cc1nnc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)s1 ZINC000160594102 402353286 /nfs/dbraw/zinc/35/32/86/402353286.db2.gz GDJFEDAIRVHTIC-UHFFFAOYSA-N 0 0 315.358 2.013 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000185584436 402363150 /nfs/dbraw/zinc/36/31/50/402363150.db2.gz UQAXMXDQAUVDCK-KBPBESRZSA-N 0 0 320.389 2.145 10 30 DEEERN COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)C1CCCC1 ZINC000185641520 402366945 /nfs/dbraw/zinc/36/69/45/402366945.db2.gz ZQMICPDOKUTHTG-LLVKDONJSA-N 0 0 308.403 2.424 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 ZINC000185672005 402368959 /nfs/dbraw/zinc/36/89/59/402368959.db2.gz NCEUMJRNYPJCHM-LBPRGKRZSA-N 0 0 322.430 2.086 10 30 DEEERN Cc1ccc(C#N)c(N(C)[C@H]2CCCN(c3cccnn3)C2)n1 ZINC000161214736 402377473 /nfs/dbraw/zinc/37/74/73/402377473.db2.gz BSUBFMGPHUDQLT-HNNXBMFYSA-N 0 0 308.389 2.157 10 30 DEEERN COc1ccc([C@H]2CCCN2C(=O)CN(C)CCC#N)cc1 ZINC000177186389 402379479 /nfs/dbraw/zinc/37/94/79/402379479.db2.gz ITORYIVPWFMPEP-MRXNPFEDSA-N 0 0 301.390 2.204 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1 ZINC000185822664 402380304 /nfs/dbraw/zinc/38/03/04/402380304.db2.gz JOKFDPYLRHZUEV-CYBMUJFWSA-N 0 0 318.352 2.378 10 30 DEEERN C#CCC(C)(C)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000185837649 402381494 /nfs/dbraw/zinc/38/14/94/402381494.db2.gz NCVLCEIBYNVBRE-GFCCVEGCSA-N 0 0 305.809 2.479 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCC(=O)c1ccc(OCC)cc1 ZINC000185866392 402383760 /nfs/dbraw/zinc/38/37/60/402383760.db2.gz UTOCNYOPNBRGNN-CQSZACIVSA-N 0 0 305.374 2.101 10 30 DEEERN CCCCCCCCCCNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC000160248676 402339360 /nfs/dbraw/zinc/33/93/60/402339360.db2.gz CSTARKBHECNTBV-UHFFFAOYSA-N 0 0 323.437 2.232 10 30 DEEERN N#C[C@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C1CC1 ZINC000161821718 402400298 /nfs/dbraw/zinc/40/02/98/402400298.db2.gz ZZECDMIRIUBQMO-ZBEGNZNMSA-N 0 0 313.382 2.034 10 30 DEEERN N#Cc1ccc(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 ZINC000186214408 402411526 /nfs/dbraw/zinc/41/15/26/402411526.db2.gz JGAFLMKYFLRRDH-UHFFFAOYSA-N 0 0 321.384 2.121 10 30 DEEERN C[C@@H](NC(N)=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000186261452 402416252 /nfs/dbraw/zinc/41/62/52/402416252.db2.gz JGAQMFPVEHMJRI-LLVKDONJSA-N 0 0 324.340 2.346 10 30 DEEERN Cn1ccnc1CC1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000162466723 402421275 /nfs/dbraw/zinc/42/12/75/402421275.db2.gz CHYPAGBIMBLCLO-UHFFFAOYSA-N 0 0 300.406 2.285 10 30 DEEERN Cn1ccnc1CC1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000162524027 402423618 /nfs/dbraw/zinc/42/36/18/402423618.db2.gz RDHNMVVCTWMZBQ-UHFFFAOYSA-N 0 0 308.385 2.387 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(OCCOC)cc1Cl ZINC000186369753 402425492 /nfs/dbraw/zinc/42/54/92/402425492.db2.gz RHBFKEGDHPRCMW-NSHDSACASA-N 0 0 313.781 2.032 10 30 DEEERN CN(C(=O)c1cc(S(C)(=O)=O)cs1)c1cccc(C#N)c1 ZINC000162716499 402429723 /nfs/dbraw/zinc/42/97/23/402429723.db2.gz GQJNRLVTONLTAQ-UHFFFAOYSA-N 0 0 320.395 2.300 10 30 DEEERN CC(C)c1ccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)cc1 ZINC000163292164 402446301 /nfs/dbraw/zinc/44/63/01/402446301.db2.gz CUSMITGVUCWMEZ-HNNXBMFYSA-N 0 0 308.403 2.113 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000177352563 402393924 /nfs/dbraw/zinc/39/39/24/402393924.db2.gz DXJXFOSRNVXBEW-UHFFFAOYSA-N 0 0 310.313 2.398 10 30 DEEERN C#CCOc1ccc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000163765309 402456867 /nfs/dbraw/zinc/45/68/67/402456867.db2.gz GMISMMHEGMNDKT-QGZVFWFLSA-N 0 0 309.369 2.409 10 30 DEEERN C=CC[C@@H](CO)[NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000186713324 402458527 /nfs/dbraw/zinc/45/85/27/402458527.db2.gz RQAYLQOGJQNAOK-RISCZKNCSA-N 0 0 304.369 2.302 10 30 DEEERN C[C@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCS1 ZINC000245514915 402466993 /nfs/dbraw/zinc/46/69/93/402466993.db2.gz COKBOGFHDQBZGD-BBRMVZONSA-N 0 0 315.442 2.491 10 30 DEEERN N#Cc1ccc(C2(C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000186972742 402475319 /nfs/dbraw/zinc/47/53/19/402475319.db2.gz FLIWIMMRVZCZCR-UHFFFAOYSA-N 0 0 305.337 2.327 10 30 DEEERN CCOCc1cc(COS(C)(=O)=O)ccc1Br ZINC000165581018 402477442 /nfs/dbraw/zinc/47/74/42/402477442.db2.gz DOTFZGLFLBEQJS-UHFFFAOYSA-N 0 0 323.208 2.462 10 30 DEEERN COc1cccc(F)c1[C@@H](C)NS(=O)(=O)CC1(C#N)CC1 ZINC000165702251 402477709 /nfs/dbraw/zinc/47/77/09/402477709.db2.gz COOVRWWVZGACHP-SNVBAGLBSA-N 0 0 312.366 2.118 10 30 DEEERN CCO[C@H]1C[C@H](NC(=O)c2cc(C#N)cs2)C12CCOCC2 ZINC000187035386 402479796 /nfs/dbraw/zinc/47/97/96/402479796.db2.gz YIOZHVWGUONMSM-KBPBESRZSA-N 0 0 320.414 2.324 10 30 DEEERN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CCCO1 ZINC000170688265 402514624 /nfs/dbraw/zinc/51/46/24/402514624.db2.gz SUEPCHRRUIJLTF-ZDUSSCGKSA-N 0 0 307.781 2.261 10 30 DEEERN N#CCCCCNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000171498851 402590038 /nfs/dbraw/zinc/59/00/38/402590038.db2.gz GVJHIYZWNDTXBT-AWEZNQCLSA-N 0 0 319.430 2.092 10 30 DEEERN COc1ccc([C@H](CC(=O)NCCCCC#N)NC(C)=O)cc1 ZINC000171503751 402590232 /nfs/dbraw/zinc/59/02/32/402590232.db2.gz JGIJLAWDPPJWIF-INIZCTEOSA-N 0 0 317.389 2.073 10 30 DEEERN C#CCCCCC(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000179723329 402599135 /nfs/dbraw/zinc/59/91/35/402599135.db2.gz VZRULORLCLTQSX-GFCCVEGCSA-N 0 0 305.403 2.266 10 30 DEEERN C=C(C)CN(C)C(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000180461119 402617542 /nfs/dbraw/zinc/61/75/42/402617542.db2.gz PDTQIIGWVRYRSJ-AWEZNQCLSA-N 0 0 306.431 2.316 10 30 DEEERN CC[C@H](C#N)NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000171770614 402621005 /nfs/dbraw/zinc/62/10/05/402621005.db2.gz XBWCWBXXDAKCAL-MRVPVSSYSA-N 0 0 307.151 2.357 10 30 DEEERN N#C[C@H]1CN(C(=O)CC2CCC(C(F)(F)F)CC2)CCO1 ZINC000180675460 402623286 /nfs/dbraw/zinc/62/32/86/402623286.db2.gz AOOZROXUUTUZDX-MCIGGMRASA-N 0 0 304.312 2.496 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000181864212 402658929 /nfs/dbraw/zinc/65/89/29/402658929.db2.gz YOQAIVYTKLQOHS-CYBMUJFWSA-N 0 0 315.373 2.341 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCOc1ccccc1C#N ZINC000191201878 402650564 /nfs/dbraw/zinc/65/05/64/402650564.db2.gz JQWOQGNRHHFQSG-INMHGKMJSA-N 0 0 314.385 2.211 10 30 DEEERN Cc1cc(CN(C)C(=O)NCCOc2ccc(C#N)cc2)no1 ZINC000173792082 402712824 /nfs/dbraw/zinc/71/28/24/402712824.db2.gz PWJYRQZYFWCJTE-UHFFFAOYSA-N 0 0 314.345 2.075 10 30 DEEERN N#CCCCCNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000172977989 402681566 /nfs/dbraw/zinc/68/15/66/402681566.db2.gz DGMBMURGGZMYRE-KGLIPLIRSA-N 0 0 300.358 2.371 10 30 DEEERN CCn1cc([C@H]2CN(Cc3ccc(C#N)cc3F)CCO2)cn1 ZINC000191708596 402687647 /nfs/dbraw/zinc/68/76/47/402687647.db2.gz FILMWKSOAAMUAY-QGZVFWFLSA-N 0 0 314.364 2.487 10 30 DEEERN C#CCCCNC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000173319240 402692174 /nfs/dbraw/zinc/69/21/74/402692174.db2.gz AVTDDNMJGIENSS-CQSZACIVSA-N 0 0 311.389 2.032 10 30 DEEERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Cc1ccc(C#N)cc1 ZINC000173435103 402697235 /nfs/dbraw/zinc/69/72/35/402697235.db2.gz DBVBJJSELSSZQF-GFCCVEGCSA-N 0 0 310.401 2.199 10 30 DEEERN COc1cccc(F)c1[C@@H](C)N[C@H](C)C(=O)N(C)CCC#N ZINC000174222982 402732145 /nfs/dbraw/zinc/73/21/45/402732145.db2.gz GSIZUKKQXVZEGC-VXGBXAGGSA-N 0 0 307.369 2.245 10 30 DEEERN C=CCN(Cc1cn(Cc2cccnc2)nn1)CC(F)(F)F ZINC000183016251 402733097 /nfs/dbraw/zinc/73/30/97/402733097.db2.gz UMKWTUWGIVNXKF-UHFFFAOYSA-N 0 0 311.311 2.272 10 30 DEEERN C#CCSCCNC(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000174283175 402735028 /nfs/dbraw/zinc/73/50/28/402735028.db2.gz UEQMFSFRZHGOST-KBPBESRZSA-N 0 0 306.435 2.032 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000183601525 402780660 /nfs/dbraw/zinc/78/06/60/402780660.db2.gz ARRAUPIMIZKGDC-CQSZACIVSA-N 0 0 321.377 2.154 10 30 DEEERN C=C(C)CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000183602198 402780680 /nfs/dbraw/zinc/78/06/80/402780680.db2.gz AAPHFEYTICLVCO-CQSZACIVSA-N 0 0 302.374 2.031 10 30 DEEERN C[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)c1ccccn1 ZINC000174809230 402758671 /nfs/dbraw/zinc/75/86/71/402758671.db2.gz GCTFIKCFEDWEDG-CYBMUJFWSA-N 0 0 310.357 2.392 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)c2cccnc2Cl)cn1 ZINC000183694707 402789724 /nfs/dbraw/zinc/78/97/24/402789724.db2.gz SOXFUMYHCRCUQR-UHFFFAOYSA-N 0 0 324.731 2.440 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N[C@@]1(C#N)CCc2ccccc2C1 ZINC000183950956 402807651 /nfs/dbraw/zinc/80/76/51/402807651.db2.gz REXUBDIUWWHAMZ-SFHVURJKSA-N 0 0 304.353 2.078 10 30 DEEERN N#Cc1cc(N[C@H]2CCCN(c3ncccn3)C2)ccc1[N+](=O)[O-] ZINC000183949918 402807701 /nfs/dbraw/zinc/80/77/01/402807701.db2.gz MIWFWRASJVUXSZ-AWEZNQCLSA-N 0 0 324.344 2.337 10 30 DEEERN COC(=O)c1ccc(CNc2cnn(-c3ncccc3C#N)c2)o1 ZINC000184425713 402843292 /nfs/dbraw/zinc/84/32/92/402843292.db2.gz ZIMMVINJFDQERY-UHFFFAOYSA-N 0 0 323.312 2.131 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000184177307 402824174 /nfs/dbraw/zinc/82/41/74/402824174.db2.gz JTPJDFUSUCRZHD-SECBINFHSA-N 0 0 304.268 2.486 10 30 DEEERN CCCCN1CCOC[C@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000184192790 402825216 /nfs/dbraw/zinc/82/52/16/402825216.db2.gz MOPGNZZNSITYLT-INIZCTEOSA-N 0 0 301.390 2.192 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000175749224 402829440 /nfs/dbraw/zinc/82/94/40/402829440.db2.gz ZFNOPZITPQWKLC-AWEZNQCLSA-N 0 0 310.361 2.327 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)CC(=O)OC(C)(C)C ZINC000195093541 402831124 /nfs/dbraw/zinc/83/11/24/402831124.db2.gz ZTGGAWZZTONXBU-LBPRGKRZSA-N 0 0 318.373 2.126 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)c2cccc(O)c2)cn1 ZINC000184285001 402832482 /nfs/dbraw/zinc/83/24/82/402832482.db2.gz NVLIRPPLYFSIMA-UHFFFAOYSA-N 0 0 305.297 2.097 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CN1Cc2ccccc2C1=O ZINC000264290475 402864214 /nfs/dbraw/zinc/86/42/14/402864214.db2.gz HNUYFSQGSOVSAG-UHFFFAOYSA-N 0 0 312.291 2.219 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CCc1ccccc1C(N)=O ZINC000279268599 402924617 /nfs/dbraw/zinc/92/46/17/402924617.db2.gz IXYMCZLELPTEIA-UHFFFAOYSA-N 0 0 314.307 2.295 10 30 DEEERN CC(=O)c1ccc(C#N)c(NCCCCN2CCOCC2)c1 ZINC000272337302 402925671 /nfs/dbraw/zinc/92/56/71/402925671.db2.gz BFJVLMKGPXBTGC-UHFFFAOYSA-N 0 0 301.390 2.285 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)[C@@H]1CSCN1C(=O)CC ZINC000272376951 402929532 /nfs/dbraw/zinc/92/95/32/402929532.db2.gz BLIHTXUBJWKMOT-AWEZNQCLSA-N 0 0 322.430 2.148 10 30 DEEERN C=CC[C@@H](CO)NC(=O)COc1cccc(C(F)(F)F)c1 ZINC000273467810 403007322 /nfs/dbraw/zinc/00/73/22/403007322.db2.gz JEKHQNGGZWTHSI-NSHDSACASA-N 0 0 303.280 2.137 10 30 DEEERN CC(C)(C)[C@@H]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C[C@H]1O ZINC000273180156 402980143 /nfs/dbraw/zinc/98/01/43/402980143.db2.gz AXQYYVNBMBCXLI-VXGBXAGGSA-N 0 0 304.350 2.095 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000274253263 403038984 /nfs/dbraw/zinc/03/89/84/403038984.db2.gz HRCWSRFWLDWUFA-NEPJUHHUSA-N 0 0 310.419 2.114 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000274293641 403042354 /nfs/dbraw/zinc/04/23/54/403042354.db2.gz CFIQRAURPOVDIQ-GDBMZVCRSA-N 0 0 315.417 2.291 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000268177715 403058337 /nfs/dbraw/zinc/05/83/37/403058337.db2.gz SBNOJOLBCFVGNF-LBPRGKRZSA-N 0 0 322.430 2.280 10 30 DEEERN C=CCN1CC[C@@H](N(C)c2cc(C)nc(-c3ccccn3)n2)C1=O ZINC000281730806 403086249 /nfs/dbraw/zinc/08/62/49/403086249.db2.gz DNHOTHJFLPOLHC-OAHLLOKOSA-N 0 0 323.400 2.070 10 30 DEEERN C=C(C)COc1cccc(NC(=O)[C@@]2(C)CCC(=O)NC2)c1 ZINC000281839252 403096882 /nfs/dbraw/zinc/09/68/82/403096882.db2.gz LHJBBIKBRSWCIG-KRWDZBQOSA-N 0 0 302.374 2.496 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(C(=O)OC)c(C)cc1C ZINC000276424257 403173572 /nfs/dbraw/zinc/17/35/72/403173572.db2.gz IZSBNJKIMGLGDM-LBPRGKRZSA-N 0 0 306.362 2.149 10 30 DEEERN C=CCNC(=O)CNC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000283128309 403173885 /nfs/dbraw/zinc/17/38/85/403173885.db2.gz NJINECSHHKNTCR-ZDUSSCGKSA-N 0 0 316.401 2.047 10 30 DEEERN C#C[C@@H](NC(=O)NCc1c(OC)cc(OC)cc1OC)C(C)C ZINC000282372193 403147414 /nfs/dbraw/zinc/14/74/14/403147414.db2.gz WWJMMBFTWXPLFB-CQSZACIVSA-N 0 0 320.389 2.169 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC000282678466 403158379 /nfs/dbraw/zinc/15/83/79/403158379.db2.gz SMPAPVGAPQETLH-OLZOCXBDSA-N 0 0 306.410 2.367 10 30 DEEERN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC ZINC000283203590 403180679 /nfs/dbraw/zinc/18/06/79/403180679.db2.gz HXYKLQWDWCLZON-UHFFFAOYSA-N 0 0 319.434 2.302 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)Cc1ccc(F)cc1F ZINC000297953382 403292352 /nfs/dbraw/zinc/29/23/52/403292352.db2.gz FEDJYAVTVLLNOU-UHFFFAOYSA-N 0 0 310.344 2.348 10 30 DEEERN C=CCNC(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000345344568 403295403 /nfs/dbraw/zinc/29/54/03/403295403.db2.gz IUSLVEGPBCQQRT-UHFFFAOYSA-N 0 0 309.797 2.162 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCc3cc[nH]c(=O)c3C2)s1 ZINC000277869722 403265724 /nfs/dbraw/zinc/26/57/24/403265724.db2.gz OXCDZJNARRBJLM-UHFFFAOYSA-N 0 0 316.386 2.040 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000285049874 403277361 /nfs/dbraw/zinc/27/73/61/403277361.db2.gz IUUFJDDIFAXRDW-GJZGRUSLSA-N 0 0 324.346 2.374 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cnc(OC)c(Cl)c1 ZINC000285148060 403278970 /nfs/dbraw/zinc/27/89/70/403278970.db2.gz YNUUQWAVLDQVRY-ZWNOBZJWSA-N 0 0 310.781 2.455 10 30 DEEERN Cn1cc([C@@H]2CN(c3cc(Cl)ccc3C#N)C[C@H]2CO)cn1 ZINC000278009933 403279051 /nfs/dbraw/zinc/27/90/51/403279051.db2.gz OCZIONRLZYTTDN-ZFWWWQNUSA-N 0 0 316.792 2.157 10 30 DEEERN C=CCCOCCCCC(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000343047790 403443428 /nfs/dbraw/zinc/44/34/28/403443428.db2.gz YLXOOTUXUOHAPU-CVEARBPZSA-N 0 0 322.449 2.267 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cccc(F)c1Br ZINC000293472526 403481400 /nfs/dbraw/zinc/48/14/00/403481400.db2.gz KVFOBWWLPRRYER-MRVPVSSYSA-N 0 0 302.143 2.255 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccc(F)c(COC)c1 ZINC000286538483 403533075 /nfs/dbraw/zinc/53/30/75/403533075.db2.gz OLFKOQVCOFWWEQ-UHFFFAOYSA-N 0 0 322.380 2.013 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCCCC(=O)OC ZINC000287208733 403555804 /nfs/dbraw/zinc/55/58/04/403555804.db2.gz IHAFROKVLGIJBL-MRXNPFEDSA-N 0 0 301.386 2.471 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCCO1 ZINC000286939625 403549357 /nfs/dbraw/zinc/54/93/57/403549357.db2.gz HIWFBDSYNOAMPM-IAGOWNOFSA-N 0 0 300.402 2.489 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CC=C(c2ccnn2C)CC1)OCC ZINC000286318469 403498571 /nfs/dbraw/zinc/49/85/71/403498571.db2.gz NQVMDTJCHADMAP-INIZCTEOSA-N 0 0 303.406 2.407 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](CC(=O)OC)c1ccc(F)cc1 ZINC000287272380 403564943 /nfs/dbraw/zinc/56/49/43/403564943.db2.gz QVOVMAPUKWTNMH-MRXNPFEDSA-N 0 0 315.344 2.209 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC(C)(C)CO ZINC000287580192 403627237 /nfs/dbraw/zinc/62/72/37/403627237.db2.gz FUBBFKRWSIDNGS-UHFFFAOYSA-N 0 0 318.417 2.364 10 30 DEEERN N#Cc1ccc(N2CCC[C@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000301484764 403635457 /nfs/dbraw/zinc/63/54/57/403635457.db2.gz YREVTDLFFVPHEF-LBPRGKRZSA-N 0 0 311.307 2.453 10 30 DEEERN CC(C)[C@@H](C)NC(=O)C1CCN(c2ccc(C#N)nc2)CC1 ZINC000301494763 403636738 /nfs/dbraw/zinc/63/67/38/403636738.db2.gz AXKDMEWHAILMHO-CYBMUJFWSA-N 0 0 300.406 2.330 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000287654607 403643256 /nfs/dbraw/zinc/64/32/56/403643256.db2.gz JQGNXAQRDYPNNF-YEJXKQKISA-N 0 0 301.411 2.264 10 30 DEEERN C=CC[C@H](CO)Nc1nn2cc(-c3cccnc3)nc2s1 ZINC000302138024 403708125 /nfs/dbraw/zinc/70/81/25/403708125.db2.gz NMSNKRJTMBZMBW-LLVKDONJSA-N 0 0 301.375 2.202 10 30 DEEERN C=CCO[C@H]1CCN(c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000302179540 403709258 /nfs/dbraw/zinc/70/92/58/403709258.db2.gz RNLPCNTZYCTQAU-NSHDSACASA-N 0 0 317.357 2.464 10 30 DEEERN C#CCO[C@@H](C)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000294310252 403699597 /nfs/dbraw/zinc/69/95/97/403699597.db2.gz GEIPQOUXHCCKFU-GWCFXTLKSA-N 0 0 321.174 2.168 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000287966265 403700590 /nfs/dbraw/zinc/70/05/90/403700590.db2.gz HYCIXWIBXWHOPR-KBPBESRZSA-N 0 0 322.405 2.391 10 30 DEEERN C=CCOCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000340965711 403716311 /nfs/dbraw/zinc/71/63/11/403716311.db2.gz YAVXPORVGYXHGB-GDBMZVCRSA-N 0 0 308.809 2.404 10 30 DEEERN C[C@H](CNc1ccc([N+](=O)[O-])c(C#N)n1)CC1(C)OCCO1 ZINC000302728696 403717097 /nfs/dbraw/zinc/71/70/97/403717097.db2.gz PCTWNPCHLMOXDW-JTQLQIEISA-N 0 0 306.322 2.063 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000288090698 403722951 /nfs/dbraw/zinc/72/29/51/403722951.db2.gz HVMHCNVIWBEUEY-LLVKDONJSA-N 0 0 323.299 2.341 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@](C)(O)CCC ZINC000288118938 403728956 /nfs/dbraw/zinc/72/89/56/403728956.db2.gz JXLNDXVZMCACSM-AEFFLSMTSA-N 0 0 302.418 2.471 10 30 DEEERN C=CCSCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000343797096 403737818 /nfs/dbraw/zinc/73/78/18/403737818.db2.gz LBTXUQGNCJEDHU-UHFFFAOYSA-N 0 0 316.329 2.451 10 30 DEEERN C[C@H]1C[C@H](S(=O)(=O)NC2(c3cccc(C#N)c3)CC2)CCO1 ZINC000333388687 403740531 /nfs/dbraw/zinc/74/05/31/403740531.db2.gz GPEPEXSTUMJUSU-SWLSCSKDSA-N 0 0 320.414 2.034 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000288244149 403742963 /nfs/dbraw/zinc/74/29/63/403742963.db2.gz BDZNQJKJVKBBLK-OAHLLOKOSA-N 0 0 307.752 2.292 10 30 DEEERN C=CCN(Cc1ccccc1OC1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000295057346 403745096 /nfs/dbraw/zinc/74/50/96/403745096.db2.gz YVHORLVZJQYLAA-HNNXBMFYSA-N 0 0 321.442 2.403 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1nc(C2CC2)cs1 ZINC000288450006 403754998 /nfs/dbraw/zinc/75/49/98/403754998.db2.gz VDWPBPLGIYGMNW-UHFFFAOYSA-N 0 0 307.419 2.061 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1cccnc1OCC(F)F ZINC000288554855 403757449 /nfs/dbraw/zinc/75/74/49/403757449.db2.gz QRPQYOFSURORTK-UHFFFAOYSA-N 0 0 306.312 2.005 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000288698976 403762678 /nfs/dbraw/zinc/76/26/78/403762678.db2.gz RNRQPDAQXAUVAF-IBGZPJMESA-N 0 0 308.425 2.035 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000289027416 403811366 /nfs/dbraw/zinc/81/13/66/403811366.db2.gz MSPXEIODBVHSPO-KRWDZBQOSA-N 0 0 314.429 2.089 10 30 DEEERN N#Cc1ccnc(NC(=O)c2ncccc2Br)c1 ZINC000361838096 403898291 /nfs/dbraw/zinc/89/82/91/403898291.db2.gz QFFUFJWNPGBHFK-UHFFFAOYSA-N 0 0 303.119 2.363 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000361759650 403848632 /nfs/dbraw/zinc/84/86/32/403848632.db2.gz JITPUNKVAZYBFJ-OKILXGFUSA-N 0 0 303.358 2.263 10 30 DEEERN C=C(C)[C@H](CC(=O)NC(C)(C)c1cc(C(=O)OC)on1)OCC ZINC000362318078 403942985 /nfs/dbraw/zinc/94/29/85/403942985.db2.gz VEVARPZUXLDSGR-NSHDSACASA-N 0 0 324.377 2.184 10 30 DEEERN C#Cc1ccc(CNC(=O)[C@H](C)OC[C@@H]2CCCCO2)cc1 ZINC000295474675 403946815 /nfs/dbraw/zinc/94/68/15/403946815.db2.gz NNOPQHDDDHPVNV-YOEHRIQHSA-N 0 0 301.386 2.258 10 30 DEEERN C#Cc1ccc(CNC(=O)c2ccc(N3CCOCC3)cc2)cc1 ZINC000295478588 403948674 /nfs/dbraw/zinc/94/86/74/403948674.db2.gz NVRHEGACLFCSOZ-UHFFFAOYSA-N 0 0 320.392 2.435 10 30 DEEERN C=CC[C@H](CC)NS(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000289828707 404001818 /nfs/dbraw/zinc/00/18/18/404001818.db2.gz LBDQNSPRWCXBCI-NSHDSACASA-N 0 0 315.391 2.316 10 30 DEEERN C=CCN(Cc1ccccc1)c1nnc([C@@H]2COCCO2)n1C ZINC000290059608 404023451 /nfs/dbraw/zinc/02/34/51/404023451.db2.gz BUCAVJIRZYFETL-HNNXBMFYSA-N 0 0 314.389 2.096 10 30 DEEERN C=CCOC[C@H]1NC(=O)N(CC2CC(c3ccccc3)C2)C1=O ZINC000348690655 404092273 /nfs/dbraw/zinc/09/22/73/404092273.db2.gz JVPYRDXTCTZPFC-AVVWSFFYSA-N 0 0 314.385 2.303 10 30 DEEERN C=CCn1c([C@H]2CCCCO2)nnc1N(C)C[C@@H]1CCCO1 ZINC000295999105 404045943 /nfs/dbraw/zinc/04/59/43/404045943.db2.gz QECQZHUBEFXMNI-UONOGXRCSA-N 0 0 306.410 2.321 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CC[N@H+](CCOCC(F)(F)F)C2)n1 ZINC000328618729 404114931 /nfs/dbraw/zinc/11/49/31/404114931.db2.gz DZKOEOLQBCUJRW-NSHDSACASA-N 0 0 320.315 2.317 10 30 DEEERN Cc1ccncc1NC(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000328624071 404116671 /nfs/dbraw/zinc/11/66/71/404116671.db2.gz JQFGETPPWKHENF-DZGCQCFKSA-N 0 0 315.377 2.370 10 30 DEEERN Cc1c([C@H]2OCC[C@@H]2NC(=O)Nc2cncc(C)c2)cnn1C ZINC000328619731 404117048 /nfs/dbraw/zinc/11/70/48/404117048.db2.gz GDJCVWHGVJZUID-LSDHHAIUSA-N 0 0 315.377 2.097 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)Nc3ccccn3)C2)n1 ZINC000328620341 404117491 /nfs/dbraw/zinc/11/74/91/404117491.db2.gz GXSLJXQHYPIFGJ-GFCCVEGCSA-N 0 0 314.349 2.379 10 30 DEEERN CCOC[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3cc(C)nc32)C1 ZINC000328662849 404126136 /nfs/dbraw/zinc/12/61/36/404126136.db2.gz XOKWSBHQYDEVCE-CABCVRRESA-N 0 0 320.437 2.341 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@@H](C)CC(=O)OCC)cc1 ZINC000296376956 404221237 /nfs/dbraw/zinc/22/12/37/404221237.db2.gz FMEUNWWEBXBFFC-ZDUSSCGKSA-N 0 0 302.374 2.056 10 30 DEEERN Cc1ccc([C@@H]2CCCN2S(=O)(=O)N(C)[C@@H](C)CC#N)o1 ZINC000363469687 404162925 /nfs/dbraw/zinc/16/29/25/404162925.db2.gz DEQPDLYPHXYVTK-AAEUAGOBSA-N 0 0 311.407 2.204 10 30 DEEERN COc1cnc(NC(=O)NCCO[C@@H]2CCCC[C@H]2C)nc1 ZINC000328897197 404170831 /nfs/dbraw/zinc/17/08/31/404170831.db2.gz XHEKZIDHOMUEON-DGCLKSJQSA-N 0 0 308.382 2.406 10 30 DEEERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1ncoc1C ZINC000329012659 404200504 /nfs/dbraw/zinc/20/05/04/404200504.db2.gz ITCSMIIWRUZIPW-JOYOIKCWSA-N 0 0 311.407 2.387 10 30 DEEERN C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H]2Cn2ccnn2)[C@H](C)C1 ZINC000329102101 404231028 /nfs/dbraw/zinc/23/10/28/404231028.db2.gz ZXFNOAWHEDQHDE-KBXIAJHMSA-N 0 0 305.426 2.481 10 30 DEEERN N#Cc1cc(Br)cnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000296489063 404271156 /nfs/dbraw/zinc/27/11/56/404271156.db2.gz KZDRKPSNBHBJRP-GFCCVEGCSA-N 0 0 307.195 2.000 10 30 DEEERN C[C@@H]1CN(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)CCO1 ZINC000329238351 404274089 /nfs/dbraw/zinc/27/40/89/404274089.db2.gz PPDMFPXAGXVBNR-CHWSQXEVSA-N 0 0 320.437 2.130 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000352315898 404285182 /nfs/dbraw/zinc/28/51/82/404285182.db2.gz QDKTUHAGYSCCNC-MAUKXSAKSA-N 0 0 322.449 2.267 10 30 DEEERN Cc1ccc(NS(C)(=O)=O)c(NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)c1 ZINC000329483299 404352453 /nfs/dbraw/zinc/35/24/53/404352453.db2.gz FCMVACASEIWFGX-GDLCADMTSA-N 0 0 324.402 2.380 10 30 DEEERN C=CC[C@H](CO)CNC(=O)Nc1cc(-n2cccn2)ccc1C ZINC000355669491 404357541 /nfs/dbraw/zinc/35/75/41/404357541.db2.gz DLXPTCWOPPPPHQ-AWEZNQCLSA-N 0 0 314.389 2.487 10 30 DEEERN Cn1cc([C@H]2CCN(C(=O)NCCOC3CCCCC3)C2)cn1 ZINC000329346570 404309199 /nfs/dbraw/zinc/30/91/99/404309199.db2.gz VGIVDGFNLMCXOE-AWEZNQCLSA-N 0 0 320.437 2.473 10 30 DEEERN Cn1cc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(C2CC2)n1 ZINC000329603019 404389548 /nfs/dbraw/zinc/38/95/48/404389548.db2.gz GDGIDKNEYHFZKG-KCPJHIHWSA-N 0 0 316.405 2.390 10 30 DEEERN C#CCOc1ccc(CNC(=O)[C@@H]2CCCc3n[nH]cc32)cc1 ZINC000296971178 404395307 /nfs/dbraw/zinc/39/53/07/404395307.db2.gz KMNWKFFKCNOSCL-OAHLLOKOSA-N 0 0 309.369 2.158 10 30 DEEERN Cn1cc([NH+]=C([O-])N2CCC(n3ccnc3)CC2)c(C2CC2)n1 ZINC000329626652 404399175 /nfs/dbraw/zinc/39/91/75/404399175.db2.gz OZTPXINPEPQNET-UHFFFAOYSA-N 0 0 314.393 2.377 10 30 DEEERN CC#CCCCC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000342319659 404506701 /nfs/dbraw/zinc/50/67/01/404506701.db2.gz MJKSSIGKINTODZ-UHFFFAOYSA-N 0 0 316.405 2.074 10 30 DEEERN C=CCC(CC=C)C(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C ZINC000291605803 404444954 /nfs/dbraw/zinc/44/49/54/404444954.db2.gz SCWVCSOVABRJTB-UHFFFAOYSA-N 0 0 315.373 2.290 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)cc1 ZINC000352737302 404584140 /nfs/dbraw/zinc/58/41/40/404584140.db2.gz KHTXNQQZWRELEY-GOEBONIOSA-N 0 0 321.417 2.139 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)cc1 ZINC000352737304 404585209 /nfs/dbraw/zinc/58/52/09/404585209.db2.gz KHTXNQQZWRELEY-ZBFHGGJFSA-N 0 0 321.417 2.139 10 30 DEEERN C[C@@H]1CCC[C@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000373621156 404549214 /nfs/dbraw/zinc/54/92/14/404549214.db2.gz FIJMOJJCLFLBIY-IJEWVQPXSA-N 0 0 304.438 2.337 10 30 DEEERN C=C[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000345275962 404652469 /nfs/dbraw/zinc/65/24/69/404652469.db2.gz WOSMEWFBWDYNTD-MNOVXSKESA-N 0 0 321.343 2.051 10 30 DEEERN C=C(C)[C@H](CC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC)OCC ZINC000342483765 404607682 /nfs/dbraw/zinc/60/76/82/404607682.db2.gz DFDOGZAGEBYNTF-KNCOVGOOSA-N 0 0 309.406 2.158 10 30 DEEERN N#Cc1cccc(C#N)c1N1CCC(OC[C@H]2CCOC2)CC1 ZINC000365531433 404683526 /nfs/dbraw/zinc/68/35/26/404683526.db2.gz DWSJYXOFPAFAAI-AWEZNQCLSA-N 0 0 311.385 2.452 10 30 DEEERN N#Cc1cccc(C#N)c1N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000365531435 404683812 /nfs/dbraw/zinc/68/38/12/404683812.db2.gz DWSJYXOFPAFAAI-CQSZACIVSA-N 0 0 311.385 2.452 10 30 DEEERN C=CC[C@H]1N(C(=O)C(=O)NCC[C@H]2CCOC2)CCCC1(C)C ZINC000356767170 404685280 /nfs/dbraw/zinc/68/52/80/404685280.db2.gz GOJADPAYRWVROE-LSDHHAIUSA-N 0 0 322.449 2.123 10 30 DEEERN N#Cc1ccccc1N1CCN(C(=O)[C@H]2CCCOCC2)CC1 ZINC000365837644 404729847 /nfs/dbraw/zinc/72/98/47/404729847.db2.gz WVFMHRMXKKZXIH-HNNXBMFYSA-N 0 0 313.401 2.024 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@H](C)Cc2ccccc2)C1=O ZINC000357645581 404740116 /nfs/dbraw/zinc/74/01/16/404740116.db2.gz FCFKZJIHIUPUHO-ZBFHGGJFSA-N 0 0 300.402 2.111 10 30 DEEERN C=C(CNC(=O)N1CCC[C@@H](NC(=O)CC)C1)c1ccccc1 ZINC000358595848 404767932 /nfs/dbraw/zinc/76/79/32/404767932.db2.gz VJKARZONNMHCKK-MRXNPFEDSA-N 0 0 315.417 2.400 10 30 DEEERN C=CC[C@H](CO)CN[C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000359200226 404786634 /nfs/dbraw/zinc/78/66/34/404786634.db2.gz AIZSZMNLQUMBDS-SUMWQHHRSA-N 0 0 303.381 2.423 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000360765194 404836779 /nfs/dbraw/zinc/83/67/79/404836779.db2.gz PNMAWNPKFSBICJ-UHFFFAOYSA-N 0 0 301.390 2.324 10 30 DEEERN C=CCCCCNC(=O)C(=O)N[C@H](CC)c1c(C)nn(C)c1C ZINC000360102481 404818516 /nfs/dbraw/zinc/81/85/16/404818516.db2.gz LZCMYCMUCPOMDN-CQSZACIVSA-N 0 0 320.437 2.077 10 30 DEEERN C=CCOCCCC(=O)Nc1cc(C)nn1C1CCOCC1 ZINC000434329593 404882535 /nfs/dbraw/zinc/88/25/35/404882535.db2.gz AOOYKVDHNUDABQ-UHFFFAOYSA-N 0 0 307.394 2.464 10 30 DEEERN CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2ccc(C#N)n2C)[nH]1 ZINC000451169177 404886412 /nfs/dbraw/zinc/88/64/12/404886412.db2.gz ZJFBNCDRZMNDNR-NXEZZACHSA-N 0 0 300.366 2.019 10 30 DEEERN COC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(C#N)n1C ZINC000451175446 404888851 /nfs/dbraw/zinc/88/88/51/404888851.db2.gz KOCOVKHMUNKJJX-AWEZNQCLSA-N 0 0 317.389 2.139 10 30 DEEERN C#CCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000367013697 404897892 /nfs/dbraw/zinc/89/78/92/404897892.db2.gz QAAPWAHVBDMCQN-CABCVRRESA-N 0 0 305.809 2.408 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000435745905 405009061 /nfs/dbraw/zinc/00/90/61/405009061.db2.gz RIEBMGUSHRHZBQ-JYJNAYRXSA-N 0 0 309.454 2.141 10 30 DEEERN C=CCn1c([C@H]2CCCS2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC000424132129 405016906 /nfs/dbraw/zinc/01/69/06/405016906.db2.gz XMORSAJFURYISK-VXGBXAGGSA-N 0 0 322.434 2.032 10 30 DEEERN CCc1nc(C(=O)Nc2cc(C#N)ccn2)nn1-c1ccccc1 ZINC000435993194 405034558 /nfs/dbraw/zinc/03/45/58/405034558.db2.gz FLEOBFAXMFWJRP-UHFFFAOYSA-N 0 0 318.340 2.349 10 30 DEEERN N#Cc1ccc(CN2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1F ZINC000408046671 405096215 /nfs/dbraw/zinc/09/62/15/405096215.db2.gz XSMLUMHAHZGVKL-NXHRZFHOSA-N 0 0 318.392 2.449 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)Nc1ncc(C(=O)OCC)n1C ZINC000417113235 405039774 /nfs/dbraw/zinc/03/97/74/405039774.db2.gz FOJPBUMZPZANRU-LLVKDONJSA-N 0 0 306.366 2.169 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N1CCOCC[C@@H]1C ZINC000367662716 405117403 /nfs/dbraw/zinc/11/74/03/405117403.db2.gz XVJPKWWCIWKXMZ-LBPRGKRZSA-N 0 0 306.337 2.480 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)[C@@H](Cc2ccccc2)N(C)C1=O ZINC000424626621 405132808 /nfs/dbraw/zinc/13/28/08/405132808.db2.gz UIVYCRXQXGRFPH-XHSDSOJGSA-N 0 0 314.385 2.083 10 30 DEEERN C=C(CC)CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000452037914 405136474 /nfs/dbraw/zinc/13/64/74/405136474.db2.gz CIIQYBKFOGGCDD-UHFFFAOYSA-N 0 0 317.794 2.356 10 30 DEEERN C#CCCCS(=O)(=O)N(C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000367787806 405155367 /nfs/dbraw/zinc/15/53/67/405155367.db2.gz UCABGDWWVVRUKZ-BBRMVZONSA-N 0 0 307.415 2.054 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N2CCCCCO2)cc1Cl ZINC000408286825 405162857 /nfs/dbraw/zinc/16/28/57/405162857.db2.gz NJNDHFNLJKKLTG-UHFFFAOYSA-N 0 0 300.767 2.318 10 30 DEEERN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[C@@H](C)C3)C2)n1 ZINC000408288414 405162894 /nfs/dbraw/zinc/16/28/94/405162894.db2.gz XVHKMGBLFVRHAN-CJNGLKHVSA-N 0 0 312.417 2.347 10 30 DEEERN Cc1ncc(S(=O)(=O)N2CC[C@]3(CC[C@H](C)C3)C2)cc1C#N ZINC000408363359 405185953 /nfs/dbraw/zinc/18/59/53/405185953.db2.gz WHPSXWJWVUNZQS-LRDDRELGSA-N 0 0 319.430 2.463 10 30 DEEERN C=CCC1(C(=O)NCc2ncccc2N(C)C)CCOCC1 ZINC000424832701 405190811 /nfs/dbraw/zinc/19/08/11/405190811.db2.gz SDLQWOHERVPUGO-UHFFFAOYSA-N 0 0 303.406 2.137 10 30 DEEERN C=CCC1(C(=O)N2CC=C(c3ccnn3C)CC2)CCOCC1 ZINC000424845112 405194802 /nfs/dbraw/zinc/19/48/02/405194802.db2.gz VHLGNTPGRWQYMG-UHFFFAOYSA-N 0 0 315.417 2.409 10 30 DEEERN C=CCC1(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)CCOCC1 ZINC000424847830 405195843 /nfs/dbraw/zinc/19/58/43/405195843.db2.gz GKYGTCRKDQBKEY-RLFYNMQTSA-N 0 0 323.433 2.154 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000437512177 405202881 /nfs/dbraw/zinc/20/28/81/405202881.db2.gz BYVLJVFDLYXTCB-LXZKKBNFSA-N 0 0 314.385 2.423 10 30 DEEERN CC(C)(C)[C@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)C[C@@H]1O ZINC000408428704 405204461 /nfs/dbraw/zinc/20/44/61/405204461.db2.gz VOOFVRFBYDGPIH-ZFWWWQNUSA-N 0 0 302.374 2.133 10 30 DEEERN C[C@@H]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1O ZINC000408455828 405210690 /nfs/dbraw/zinc/21/06/90/405210690.db2.gz FPBDLTZDCJPMJW-SKDRFNHKSA-N 0 0 323.190 2.164 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000424934304 405215229 /nfs/dbraw/zinc/21/52/29/405215229.db2.gz UNMAIUHSABUNTK-ZFWWWQNUSA-N 0 0 304.346 2.235 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1nccn1CC(C)C ZINC000437709450 405216578 /nfs/dbraw/zinc/21/65/78/405216578.db2.gz POWYICYRNJIDIP-ZBFHGGJFSA-N 0 0 320.437 2.320 10 30 DEEERN CC1(CS(=O)(=O)N2CCSC[C@H]2C#N)CCCCC1 ZINC000408317186 405171843 /nfs/dbraw/zinc/17/18/43/405171843.db2.gz FUPVCFXCMHCBSH-GFCCVEGCSA-N 0 0 302.465 2.228 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)COc1cccc(F)c1 ZINC000425423166 405288477 /nfs/dbraw/zinc/28/84/77/405288477.db2.gz YVEBREYSWOPTFZ-XEZPLFJOSA-N 0 0 322.380 2.483 10 30 DEEERN CC#CCCNC(=O)c1nc(-c2ccc(Cl)cc2)nn1C ZINC000454220669 405311812 /nfs/dbraw/zinc/31/18/12/405311812.db2.gz TVIQSBXULFYVAY-UHFFFAOYSA-N 0 0 302.765 2.279 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)CNc1ccccc1 ZINC000425853318 405324741 /nfs/dbraw/zinc/32/47/41/405324741.db2.gz IPLMULJKHCYPGI-DZKIICNBSA-N 0 0 303.406 2.377 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[C@H](C)C1 ZINC000425888288 405326403 /nfs/dbraw/zinc/32/64/03/405326403.db2.gz OWTGHJWMXCBQTJ-FZKCQIBNSA-N 0 0 322.449 2.026 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[C@@H](C)C1 ZINC000425888291 405326615 /nfs/dbraw/zinc/32/66/15/405326615.db2.gz OWTGHJWMXCBQTJ-WCVJEAGWSA-N 0 0 322.449 2.026 10 30 DEEERN C=CCOCCCC(=O)NCc1cc(OC)c(O)c(OC)c1 ZINC000427502690 405409313 /nfs/dbraw/zinc/40/93/13/405409313.db2.gz UCMZWJNXTDSUCA-UHFFFAOYSA-N 0 0 309.362 2.008 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000455655097 405440595 /nfs/dbraw/zinc/44/05/95/405440595.db2.gz JLIFEBKGWOHDCJ-RKDXNWHRSA-N 0 0 323.340 2.373 10 30 DEEERN C=CCn1c([C@H]2CCCCO2)nnc1N(C)C1CCOCC1 ZINC000556444498 405481973 /nfs/dbraw/zinc/48/19/73/405481973.db2.gz KASLYTDGKOEGOU-CQSZACIVSA-N 0 0 306.410 2.321 10 30 DEEERN C=CCCCNC(=O)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000458726153 405560242 /nfs/dbraw/zinc/56/02/42/405560242.db2.gz NGZXLOOONZZYIF-DOTOQJQBSA-N 0 0 306.381 2.462 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC000456775203 405561052 /nfs/dbraw/zinc/56/10/52/405561052.db2.gz KLWSLESEYNGIEM-GFCCVEGCSA-N 0 0 318.373 2.242 10 30 DEEERN C=C1CC(C)(C(=O)N2CCC(n3cc(N(C)C)cn3)CC2)C1 ZINC000633200724 405499574 /nfs/dbraw/zinc/49/95/74/405499574.db2.gz GJJYTRKEBDMRTO-UHFFFAOYSA-N 0 0 302.422 2.469 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000458623235 405508912 /nfs/dbraw/zinc/50/89/12/405508912.db2.gz QGKUZKQWUKYSKF-ZJIFWQFVSA-N 0 0 310.438 2.303 10 30 DEEERN C=CCC1(CNC(=O)NCc2cc(C(N)=O)co2)CCCC1 ZINC000458657513 405526468 /nfs/dbraw/zinc/52/64/68/405526468.db2.gz ISPJSHCAHZOCTI-UHFFFAOYSA-N 0 0 305.378 2.314 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CC[C@@H](N2CCCC2=O)C1 ZINC000633410661 405628646 /nfs/dbraw/zinc/62/86/46/405628646.db2.gz AMIZFPGPFKXEKE-CQSZACIVSA-N 0 0 307.438 2.385 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H](C)C(=O)NCCc2ccccc2)C1 ZINC000633333869 405575576 /nfs/dbraw/zinc/57/55/76/405575576.db2.gz OJBAVDRYQGDGSS-AWEZNQCLSA-N 0 0 300.402 2.206 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cn2ccc(C)cc2n1 ZINC000580710453 405670749 /nfs/dbraw/zinc/67/07/49/405670749.db2.gz BCQJQVPGBAXYKO-ZFWWWQNUSA-N 0 0 314.389 2.033 10 30 DEEERN C=C(CC)CNC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000459072905 405729324 /nfs/dbraw/zinc/72/93/24/405729324.db2.gz IQRVHYHZMVVYDJ-HNNXBMFYSA-N 0 0 301.390 2.400 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCSC[C@H]2CCO)cc1 ZINC000494920715 405782709 /nfs/dbraw/zinc/78/27/09/405782709.db2.gz KFIRRNJGTHYGBI-CQSZACIVSA-N 0 0 307.415 2.191 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000583688778 405783346 /nfs/dbraw/zinc/78/33/46/405783346.db2.gz BUWGMYHKUKJVGJ-HOCLYGCPSA-N 0 0 314.385 2.356 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000633712511 405805795 /nfs/dbraw/zinc/80/57/95/405805795.db2.gz YGRVKCUZLBLAOA-IKGGRYGDSA-N 0 0 316.401 2.104 10 30 DEEERN N#Cc1cccc(NCC(=O)NC2CCCCC2)c1[N+](=O)[O-] ZINC000450293663 405819295 /nfs/dbraw/zinc/81/92/95/405819295.db2.gz YDDZRVJUWCHQPS-UHFFFAOYSA-N 0 0 302.334 2.327 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633750179 405820349 /nfs/dbraw/zinc/82/03/49/405820349.db2.gz NLXVFGPIXDMCHG-TZMCWYRMSA-N 0 0 317.307 2.182 10 30 DEEERN CC(C)(CC#N)CNC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000459258810 405822768 /nfs/dbraw/zinc/82/27/68/405822768.db2.gz MMBBUUHTPGQGOA-GFCCVEGCSA-N 0 0 307.316 2.025 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NCC3CC=CC3)cc2C1=O ZINC000529714054 405766007 /nfs/dbraw/zinc/76/60/07/405766007.db2.gz KMZOVBSXJFUDFM-UHFFFAOYSA-N 0 0 310.353 2.165 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N[C@@H]1Cc2ccccc2N(C)C1 ZINC000636263661 405847828 /nfs/dbraw/zinc/84/78/28/405847828.db2.gz GQWUDYORWNHYLW-CRAIPNDOSA-N 0 0 302.418 2.393 10 30 DEEERN C=CCOc1ccc(CN2CCS(=O)(=O)C[C@H](C)C2)cc1 ZINC000433020550 405852610 /nfs/dbraw/zinc/85/26/10/405852610.db2.gz NXJRHDIIFPPROQ-CQSZACIVSA-N 0 0 309.431 2.118 10 30 DEEERN C=CCCC(C)(C)CNC(=O)CCn1c(C)cc(O)cc1=O ZINC000633964300 405933391 /nfs/dbraw/zinc/93/33/91/405933391.db2.gz KAFVWGVRNCWFLT-UHFFFAOYSA-N 0 0 306.406 2.361 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1cnc2ccc(OC)nn21 ZINC000633966108 405933594 /nfs/dbraw/zinc/93/35/94/405933594.db2.gz FUOXHIIFQOOUNJ-UHFFFAOYSA-N 0 0 302.378 2.460 10 30 DEEERN C=CCCC(C)(C)CNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000633963968 405933619 /nfs/dbraw/zinc/93/36/19/405933619.db2.gz YHSMBNDAOXGPOF-ZIAGYGMSSA-N 0 0 320.433 2.270 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1cccc(S(N)(=O)=O)c1C ZINC000633965415 405933824 /nfs/dbraw/zinc/93/38/24/405933824.db2.gz SDSWMLRAWNDMKM-UHFFFAOYSA-N 0 0 324.446 2.365 10 30 DEEERN COCCN(CC#N)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000459535901 405945691 /nfs/dbraw/zinc/94/56/91/405945691.db2.gz PCMXWTCKBPWKFF-ZDUSSCGKSA-N 0 0 316.323 2.081 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1ccc(OC)cc1 ZINC000636446084 405962343 /nfs/dbraw/zinc/96/23/43/405962343.db2.gz FAVPRPNRCJREDU-UHFFFAOYSA-N 0 0 318.417 2.420 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000457583083 405906863 /nfs/dbraw/zinc/90/68/63/405906863.db2.gz VMYCYNYVXIIHRF-WCQYABFASA-N 0 0 306.362 2.103 10 30 DEEERN CC(C)c1nnc2ccc(NC(=O)c3ccc(C#N)n3C)cn21 ZINC000451006348 406014696 /nfs/dbraw/zinc/01/46/96/406014696.db2.gz ZCZBEGIRLIVXII-UHFFFAOYSA-N 0 0 308.345 2.315 10 30 DEEERN C=CCOc1ccc(C(=O)N(C)[C@H]2CCCCN(C)C2=O)cc1 ZINC000634143727 406019863 /nfs/dbraw/zinc/01/98/63/406019863.db2.gz PKNIMCMCMBDHLZ-INIZCTEOSA-N 0 0 316.401 2.334 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCCc1csc(C)n1 ZINC000636499816 405990953 /nfs/dbraw/zinc/99/09/53/405990953.db2.gz GEUIXGGNLOZLSY-UHFFFAOYSA-N 0 0 323.462 2.219 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C)cc1OC ZINC000566140742 406086661 /nfs/dbraw/zinc/08/66/61/406086661.db2.gz DAXMUVRYFISYLB-GJZGRUSLSA-N 0 0 304.390 2.394 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1sc(C)nc1C ZINC000566486347 406088549 /nfs/dbraw/zinc/08/85/49/406088549.db2.gz FJLITVYMJWRGIY-UHFFFAOYSA-N 0 0 309.435 2.239 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000636813085 406089057 /nfs/dbraw/zinc/08/90/57/406089057.db2.gz ATUSYMSLDLUJHK-GJZGRUSLSA-N 0 0 322.449 2.169 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1ncccc1C ZINC000636647604 406041898 /nfs/dbraw/zinc/04/18/98/406041898.db2.gz FCTSKELRVXWFDG-UHFFFAOYSA-N 0 0 303.406 2.115 10 30 DEEERN CC(=O)c1cccc(OCC(=O)N(C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000634198976 406051569 /nfs/dbraw/zinc/05/15/69/406051569.db2.gz SUQADMKTQOZOMG-ZBFHGGJFSA-N 0 0 300.358 2.419 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC000514995247 406056834 /nfs/dbraw/zinc/05/68/34/406056834.db2.gz AVCHSDDMKFNDCB-RYUDHWBXSA-N 0 0 315.425 2.050 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCc2nnn(C3CC(C)C3)c2C1 ZINC000634225226 406062602 /nfs/dbraw/zinc/06/26/02/406062602.db2.gz JXJDJFIRUQBOMN-MOKVOYLWSA-N 0 0 318.421 2.115 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@](C)(O)[C@@H](C)c1ccccc1 ZINC000564859366 406066334 /nfs/dbraw/zinc/06/63/34/406066334.db2.gz SIAJSWFHPWPJEO-MBGYTDRXSA-N 0 0 303.402 2.248 10 30 DEEERN C=C(C)CN(C)C(=O)CCn1cnc2sc(C)c(C)c2c1=O ZINC000479210654 406161939 /nfs/dbraw/zinc/16/19/39/406161939.db2.gz DAAXYWYKLLDKIM-UHFFFAOYSA-N 0 0 319.430 2.499 10 30 DEEERN CC#CCCNC(=O)N[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000637058986 406165045 /nfs/dbraw/zinc/16/50/45/406165045.db2.gz VKKHVDHKTOJTPB-CYBMUJFWSA-N 0 0 314.307 2.451 10 30 DEEERN C=CCOCCNC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000632360295 406106103 /nfs/dbraw/zinc/10/61/03/406106103.db2.gz WKHHHWYMTJRVQY-UHFFFAOYSA-N 0 0 322.352 2.499 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)CCc1ccncc1 ZINC000632405790 406124492 /nfs/dbraw/zinc/12/44/92/406124492.db2.gz AIKNBXCXMKRXNR-UHFFFAOYSA-N 0 0 317.433 2.191 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)NCc1nnn(C)n1 ZINC000567993961 406176403 /nfs/dbraw/zinc/17/64/03/406176403.db2.gz NDUYSUZUVKUAPE-UHFFFAOYSA-N 0 0 314.393 2.384 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)CC1(N(C)C)CC1 ZINC000632544472 406177886 /nfs/dbraw/zinc/17/78/86/406177886.db2.gz HCLYLYDILYUISL-UONOGXRCSA-N 0 0 300.468 2.135 10 30 DEEERN C=CCNC(=O)[C@H](C)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC000634581601 406179297 /nfs/dbraw/zinc/17/92/97/406179297.db2.gz YZZNRCRKEKQKHJ-NSHDSACASA-N 0 0 317.389 2.146 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCC(CC)(CO)CC1 ZINC000632554672 406180205 /nfs/dbraw/zinc/18/02/05/406180205.db2.gz FZSVEWUFJJEIAM-UHFFFAOYSA-N 0 0 324.465 2.106 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)CCOC(C)(C)C ZINC000632581588 406188406 /nfs/dbraw/zinc/18/84/06/406188406.db2.gz GKNPHYPFAHNTRX-UHFFFAOYSA-N 0 0 312.454 2.369 10 30 DEEERN C[C@@H](Cc1ccncc1)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000487082877 406204257 /nfs/dbraw/zinc/20/42/57/406204257.db2.gz FSMJEWVUTHGWTJ-NSHDSACASA-N 0 0 319.361 2.002 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cnc2ccsc2c1 ZINC000519538029 406207103 /nfs/dbraw/zinc/20/71/03/406207103.db2.gz RADQIHZZILSQII-GWCFXTLKSA-N 0 0 324.427 2.166 10 30 DEEERN C=CCCC1(CNC(=O)NC[C@H](O)[C@@H]2CCCO2)CCCC1 ZINC000637261993 406233347 /nfs/dbraw/zinc/23/33/47/406233347.db2.gz CKZPLQSYEAJZPH-GJZGRUSLSA-N 0 0 310.438 2.352 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)NCC[C@H](O)C(F)F ZINC000637223586 406219844 /nfs/dbraw/zinc/21/98/44/406219844.db2.gz LFZFLRRSXGWTSY-KGLIPLIRSA-N 0 0 312.360 2.489 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC(C)(C)[C@H]1c1nccn1C ZINC000568755818 406221920 /nfs/dbraw/zinc/22/19/20/406221920.db2.gz QCLGRBHTLKVMDR-MELADBBJSA-N 0 0 318.421 2.104 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000519706536 406239289 /nfs/dbraw/zinc/23/92/89/406239289.db2.gz KAIGCRVEXNOZMV-RRFJBIMHSA-N 0 0 322.449 2.169 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccnc(N2CC[C@H](C)C2)c1 ZINC000569961564 406326730 /nfs/dbraw/zinc/32/67/30/406326730.db2.gz FHUVCQNPOXAAOJ-BPUTZDHNSA-N 0 0 315.417 2.249 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000633125436 406386549 /nfs/dbraw/zinc/38/65/49/406386549.db2.gz VUMWBOIRMJXZLS-LBPRGKRZSA-N 0 0 304.456 2.101 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000637621986 406369328 /nfs/dbraw/zinc/36/93/28/406369328.db2.gz VOGYARRBNUAOQH-CQSZACIVSA-N 0 0 305.426 2.302 10 30 DEEERN C=CCOc1ccc(C[N@H+]2CC[C@](COC)(C(=O)[O-])C2)cc1 ZINC000635317312 406497839 /nfs/dbraw/zinc/49/78/39/406497839.db2.gz HGIWUROVQMFCRV-KRWDZBQOSA-N 0 0 305.374 2.175 10 30 DEEERN C=CCC1(C(=O)NC[C@@H](CC2CC2)C(=O)OC)CCOCC1 ZINC000571813513 406569518 /nfs/dbraw/zinc/56/95/18/406569518.db2.gz MGBBRXBMYBNWEF-CQSZACIVSA-N 0 0 309.406 2.065 10 30 DEEERN Cc1nc2ccc(S(=O)(=O)N(CC#N)C3CC3)cc2s1 ZINC000572935414 406765838 /nfs/dbraw/zinc/76/58/38/406765838.db2.gz CDNDXNNARWQYGU-UHFFFAOYSA-N 0 0 307.400 2.281 10 30 DEEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCC(CO)CC1 ZINC000574269199 406780708 /nfs/dbraw/zinc/78/07/08/406780708.db2.gz SAHCDTYOQZEMGG-CYBMUJFWSA-N 0 0 308.451 2.241 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1sccc1C(=O)OC ZINC000574701552 406785826 /nfs/dbraw/zinc/78/58/26/406785826.db2.gz FVUOHISWVHVSFI-UHFFFAOYSA-N 0 0 324.402 2.336 10 30 DEEERN CCOc1cc(C#N)c([N+](=O)[O-])cc1I ZINC000575671543 406817119 /nfs/dbraw/zinc/81/71/19/406817119.db2.gz UIAFMIGDFPGFTO-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN CCOc1c(I)ccc([N+](=O)[O-])c1C#N ZINC000575671796 406817136 /nfs/dbraw/zinc/81/71/36/406817136.db2.gz XLZFOPJCNZASLF-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000554610832 406817815 /nfs/dbraw/zinc/81/78/15/406817815.db2.gz SYGAVVHKOQKPMB-SUMWQHHRSA-N 0 0 317.437 2.084 10 30 DEEERN CCOC(=O)Cc1cc(C#N)cc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575395763 406808733 /nfs/dbraw/zinc/80/87/33/406808733.db2.gz PPZJHLJJIOOQPN-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN CCOC(=O)Cc1cc(C#N)cc([N+](=O)[O-])c1OC(F)F ZINC000575387868 406808771 /nfs/dbraw/zinc/80/87/71/406808771.db2.gz NESZOZRQMCPWBV-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000576222487 406829772 /nfs/dbraw/zinc/82/97/72/406829772.db2.gz SMMCEDHCKSLOPY-BYNSBNAKSA-N 0 0 308.422 2.177 10 30 DEEERN C=C(C)Cn1c(C2CC2)nnc1N1CC[C@@](O)(C(F)(F)F)C1 ZINC000555221851 406836798 /nfs/dbraw/zinc/83/67/98/406836798.db2.gz YGOTXZNDAYGGKS-ZDUSSCGKSA-N 0 0 316.327 2.235 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000556047155 406860259 /nfs/dbraw/zinc/86/02/59/406860259.db2.gz RAMORYRSIFNMDC-JSGCOSHPSA-N 0 0 304.390 2.444 10 30 DEEERN Cc1ccc(NCc2cnc3ccc(C#N)cn23)cc1C(N)=O ZINC000129489811 196051913 /nfs/dbraw/zinc/05/19/13/196051913.db2.gz FDKSBXYMEAIUID-UHFFFAOYSA-N 0 0 305.341 2.225 10 30 DEEERN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccccc1 ZINC000130899201 196120833 /nfs/dbraw/zinc/12/08/33/196120833.db2.gz WROQRGHIFHDDCO-CYBMUJFWSA-N 0 0 322.372 2.091 10 30 DEEERN CN(c1ccc(C#N)cc1)S(=O)(=O)c1ccc(N)c(F)c1 ZINC000131017969 196132618 /nfs/dbraw/zinc/13/26/18/196132618.db2.gz HYBQJDMJMSSLDD-UHFFFAOYSA-N 0 0 305.334 2.105 10 30 DEEERN O=C(NCCCC(F)(F)F)c1ccc(C#CCO)c(F)c1 ZINC000131045004 196134362 /nfs/dbraw/zinc/13/43/62/196134362.db2.gz CFBZSIQJLQLLPP-UHFFFAOYSA-N 0 0 303.255 2.242 10 30 DEEERN N#Cc1cc(S(=O)(=O)Nc2c(N)cccc2F)ccc1F ZINC000132324155 196244977 /nfs/dbraw/zinc/24/49/77/196244977.db2.gz HISFPVLVOCDHSX-UHFFFAOYSA-N 0 0 309.297 2.219 10 30 DEEERN CNc1cc(Nc2ccc(Br)cc2C#N)nc(N)n1 ZINC000133039741 196306638 /nfs/dbraw/zinc/30/66/38/196306638.db2.gz XROQOJQHXHDKRF-UHFFFAOYSA-N 0 0 319.166 2.478 10 30 DEEERN Cc1csc(CNC(=O)c2ccc(C#CCO)c(C)c2)n1 ZINC000137735770 196579820 /nfs/dbraw/zinc/57/98/20/196579820.db2.gz ZEMYOOAMNRXKSP-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN N#CCCCCNC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000171592544 224749161 /nfs/dbraw/zinc/74/91/61/224749161.db2.gz AFVKIGFTOBKRLK-LBPRGKRZSA-N 0 0 321.327 2.128 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000178556237 224865498 /nfs/dbraw/zinc/86/54/98/224865498.db2.gz FCGBJZVKWBZJHI-YPMHNXCESA-N 0 0 300.362 2.032 10 30 DEEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(CC#N)cc1 ZINC000177719004 224850753 /nfs/dbraw/zinc/85/07/53/224850753.db2.gz BYEOSZQSHIGGQC-AWEZNQCLSA-N 0 0 310.361 2.309 10 30 DEEERN CCc1nsc(N2CCN(CC#Cc3ccccc3)CC2)n1 ZINC000192048928 225124193 /nfs/dbraw/zinc/12/41/93/225124193.db2.gz ZJLDQOXPPXBWCJ-UHFFFAOYSA-N 0 0 312.442 2.274 10 30 DEEERN C[C@@H]1COCC[C@H]1C(=O)Nc1ccnn1-c1ccc(C#N)cc1 ZINC000194357545 225180476 /nfs/dbraw/zinc/18/04/76/225180476.db2.gz WMGASDFSPZFIQI-IUODEOHRSA-N 0 0 310.357 2.355 10 30 DEEERN C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000329062471 287372738 /nfs/dbraw/zinc/37/27/38/287372738.db2.gz NYDKRFXAPFRMPA-MCIONIFRSA-N 0 0 305.426 2.481 10 30 DEEERN O=C(NC[C@@H]1COCCO1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000329144623 225841844 /nfs/dbraw/zinc/84/18/44/225841844.db2.gz WLQDJUVWANUWCF-UKRRQHHQSA-N 0 0 308.353 2.122 10 30 DEEERN Cn1nccc1C1CCN(C(=O)NCCC2CCOCC2)CC1 ZINC000329406850 225876704 /nfs/dbraw/zinc/87/67/04/225876704.db2.gz CVPFMQCBGJJFFU-UHFFFAOYSA-N 0 0 320.437 2.330 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)C1CCC(O)CC1 ZINC000329905231 225944268 /nfs/dbraw/zinc/94/42/68/225944268.db2.gz AOTGRXOQBKMLGX-PQNSMMMDSA-N 0 0 307.394 2.005 10 30 DEEERN O=C(NCCC1CCOCC1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000330243827 225985325 /nfs/dbraw/zinc/98/53/25/225985325.db2.gz JZAUNWNQPDSCSQ-NEPJUHHUSA-N 0 0 324.343 2.105 10 30 DEEERN N#C[C@]1(c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)CC12CCCC2 ZINC000333220178 226103104 /nfs/dbraw/zinc/10/31/04/226103104.db2.gz VWZPTZZNTBBOKR-XNJGSVPQSA-N 0 0 314.389 2.331 10 30 DEEERN N#C[C@@H]1CN(C(=O)Nc2ccc(F)c(F)c2F)CCN1C1CC1 ZINC000369218342 227027438 /nfs/dbraw/zinc/02/74/38/227027438.db2.gz HSDGYRVPEODDQE-SNVBAGLBSA-N 0 0 324.306 2.308 10 30 DEEERN N#C[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2)CCN1C1CC1 ZINC000370972512 227062501 /nfs/dbraw/zinc/06/25/01/227062501.db2.gz KHNAINLXJGPLIN-OAHLLOKOSA-N 0 0 303.793 2.081 10 30 DEEERN N#C[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCN1C1CC1 ZINC000371328658 227067298 /nfs/dbraw/zinc/06/72/98/227067298.db2.gz XUPOUGIISINORY-KRWDZBQOSA-N 0 0 307.401 2.249 10 30 DEEERN C[C@H](OC1CCCCCC1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000372788718 227098339 /nfs/dbraw/zinc/09/83/39/227098339.db2.gz QQZQBKKHCUSPSX-HOCLYGCPSA-N 0 0 319.449 2.313 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cnc(C2CC2)nc1N ZINC000290415564 221636342 /nfs/dbraw/zinc/63/63/42/221636342.db2.gz JITFZJVXVKUIIY-HNNXBMFYSA-N 0 0 320.396 2.301 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2ccccc2OC(F)F)CCN1C1CC1 ZINC000377666714 227195304 /nfs/dbraw/zinc/19/53/04/227195304.db2.gz FFHPJBGYTUDWHL-GFCCVEGCSA-N 0 0 321.327 2.100 10 30 DEEERN N#Cc1nccnc1NCc1ccc(Cn2ccccc2=O)cc1 ZINC000301185944 229551553 /nfs/dbraw/zinc/55/15/53/229551553.db2.gz PEXJWAHEBMDZEX-UHFFFAOYSA-N 0 0 317.352 2.170 10 30 DEEERN Cc1ccc(NC[C@H](O)COc2ccc(F)c(F)c2)nc1C#N ZINC000302674457 230345792 /nfs/dbraw/zinc/34/57/92/230345792.db2.gz TVJDDMQAQCJFSD-NSHDSACASA-N 0 0 319.311 2.392 10 30 DEEERN Cc1ccc(NCCCNC(=O)c2cccc(O)c2)nc1C#N ZINC000302682958 230350188 /nfs/dbraw/zinc/35/01/88/230350188.db2.gz XNKIKDZJANPZOC-UHFFFAOYSA-N 0 0 310.357 2.199 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2cc(C3CCOCC3)[nH]n2)c1 ZINC000530914699 421620041 /nfs/dbraw/zinc/62/00/41/421620041.db2.gz JFZWVEMGNURSJZ-UHFFFAOYSA-N 0 0 310.357 2.357 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccc(N3CCCC3=O)cn2)c1 ZINC000533403386 269996854 /nfs/dbraw/zinc/99/68/54/269996854.db2.gz YYQDXTNHWNGDHG-UHFFFAOYSA-N 0 0 320.352 2.261 10 30 DEEERN C=CCNc1ncc(C(=O)Nc2cnc(CC3CC3)nc2)s1 ZINC000357923207 424820518 /nfs/dbraw/zinc/82/05/18/424820518.db2.gz IFQOYPDMCLCLAR-UHFFFAOYSA-N 0 0 315.402 2.736 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCC[C@@H]2Cn2ccnc2)s1 ZINC000129666882 424857390 /nfs/dbraw/zinc/85/73/90/424857390.db2.gz JHSOJCXZERKKLT-GFCCVEGCSA-N 0 0 317.418 2.242 10 30 DEEERN N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)ccc1Cl ZINC000564069577 424901915 /nfs/dbraw/zinc/90/19/15/424901915.db2.gz OODQSTFMPXQDBQ-ZDUSSCGKSA-N 0 0 316.748 3.039 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1ncc(Br)cc1C#N ZINC000584777346 424991941 /nfs/dbraw/zinc/99/19/41/424991941.db2.gz FKVYZQGZLRMQFU-CABZTGNLSA-N 0 0 308.179 2.719 10 30 DEEERN C=CCNc1ncc(C(=O)NC[C@]2(O)CCCC(C)(C)C2)s1 ZINC000438885739 425036991 /nfs/dbraw/zinc/03/69/91/425036991.db2.gz VJEZRJCMICBYLP-INIZCTEOSA-N 0 0 323.462 2.802 10 30 DEEERN CCOC(=O)[C@@H]1CCCCN1C(=O)Cc1cccc(C#N)c1 ZINC000530670694 267132598 /nfs/dbraw/zinc/13/25/98/267132598.db2.gz HGBXUTLJEKPBKF-HNNXBMFYSA-N 0 0 300.358 2.045 10 30 DEEERN COC(=O)CCC1CCN(C(=O)c2sccc2C#N)CC1 ZINC000531474656 267360050 /nfs/dbraw/zinc/36/00/50/267360050.db2.gz GGFHRPTUYSZWAH-UHFFFAOYSA-N 0 0 306.387 2.425 10 30 DEEERN N#Cc1ccccc1S(=O)(=O)N1CCOc2ccccc21 ZINC000074786423 267374152 /nfs/dbraw/zinc/37/41/52/267374152.db2.gz NWUJABWTONOENT-UHFFFAOYSA-N 0 0 300.339 2.146 10 30 DEEERN N#Cc1ccc(N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1Cl ZINC000528217963 268236973 /nfs/dbraw/zinc/23/69/73/268236973.db2.gz VMNVYZXWBLEESG-OLZOCXBDSA-N 0 0 310.806 2.368 10 30 DEEERN N#Cc1cccc(CC(=O)N2CC[C@H](OCc3ccccn3)C2)c1 ZINC000532266850 268273668 /nfs/dbraw/zinc/27/36/68/268273668.db2.gz AALZUXCKMQSREJ-SFHVURJKSA-N 0 0 321.380 2.313 10 30 DEEERN N#Cc1cccc(CC(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)c1 ZINC000530910716 268277250 /nfs/dbraw/zinc/27/72/50/268277250.db2.gz JIPLQYUEGUVFCP-MRXNPFEDSA-N 0 0 307.353 2.395 10 30 DEEERN C[C@H]1CCN(c2cc3ccccc3nc2C#N)CCS1(=O)=O ZINC000334054767 269012347 /nfs/dbraw/zinc/01/23/47/269012347.db2.gz UGDAGCRXHQFIQF-LBPRGKRZSA-N 0 0 315.398 2.120 10 30 DEEERN C[C@H](C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1)n1cnc(C#N)n1 ZINC000524094348 269470871 /nfs/dbraw/zinc/47/08/71/269470871.db2.gz ZNYZUEGVWNQAFF-JIMOISOXSA-N 0 0 315.764 2.036 10 30 DEEERN C=C(C)CN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000180438307 276857804 /nfs/dbraw/zinc/85/78/04/276857804.db2.gz LMVXFVMJFJQENJ-GOEBONIOSA-N 0 0 304.365 2.380 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1COc2cc(OC)ccc2C1 ZINC000362828190 276869139 /nfs/dbraw/zinc/86/91/39/276869139.db2.gz CCDDHWDDKIKWDT-QRTARXTBSA-N 0 0 317.385 2.096 10 30 DEEERN COc1cc(Cl)ccc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000370988959 277378834 /nfs/dbraw/zinc/37/88/34/277378834.db2.gz ACCRLAWMGBPSDF-ZDUSSCGKSA-N 0 0 319.792 2.161 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC000338787042 277784495 /nfs/dbraw/zinc/78/44/95/277784495.db2.gz GFUNPQILXSRXPY-ZDUSSCGKSA-N 0 0 306.410 2.367 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1N1C(=O)[C@@H]2c3ccccc3CCN2C1=O ZINC000420014812 277902283 /nfs/dbraw/zinc/90/22/83/277902283.db2.gz KRTGSWWSYIHSRR-PMPSAXMXSA-N 0 0 312.369 2.282 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000358226513 277907740 /nfs/dbraw/zinc/90/77/40/277907740.db2.gz QMJBVUPUTKAZCJ-DLBZAZTESA-N 0 0 311.422 2.012 10 30 DEEERN CC1(C)CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000147435156 278215649 /nfs/dbraw/zinc/21/56/49/278215649.db2.gz FSRMGABFUYMFPI-UHFFFAOYSA-N 0 0 306.431 2.454 10 30 DEEERN Cc1cnn(CCN2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000328674127 279033760 /nfs/dbraw/zinc/03/37/60/279033760.db2.gz JOKOOCGWPMPDCU-KBXCAEBGSA-N 0 0 321.384 2.187 10 30 DEEERN N#Cc1ccc(Cl)c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 ZINC000375805831 279517813 /nfs/dbraw/zinc/51/78/13/279517813.db2.gz NRRJKQWNRYRBPV-ZDUSSCGKSA-N 0 0 314.776 2.024 10 30 DEEERN CC(=O)Nc1cccnc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000135253251 282065277 /nfs/dbraw/zinc/06/52/77/282065277.db2.gz HVIQCMPXTQCZMX-LLVKDONJSA-N 0 0 324.340 2.318 10 30 DEEERN COC[C@@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000285265800 292925888 /nfs/dbraw/zinc/92/58/88/292925888.db2.gz ZYKYLOAGMLYXDW-LBPRGKRZSA-N 0 0 305.334 2.097 10 30 DEEERN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NC1(C#N)CC1)CC2 ZINC000133802436 293402509 /nfs/dbraw/zinc/40/25/09/293402509.db2.gz IZIDFNNCXMSDJK-SECBINFHSA-N 0 0 324.306 2.081 10 30 DEEERN CCOc1cnc(-c2noc(Cc3cccc(C#N)c3)n2)cn1 ZINC000576424320 326292875 /nfs/dbraw/zinc/29/28/75/326292875.db2.gz VDUISMQLSZUUEK-UHFFFAOYSA-N 0 0 307.313 2.388 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(OC)c(OC)cc1C ZINC000566119396 331974045 /nfs/dbraw/zinc/97/40/45/331974045.db2.gz CCYQBXIAMUHTCP-JSGCOSHPSA-N 0 0 305.374 2.333 10 30 DEEERN CCS(=O)(=O)c1cccc(C(=O)N(CCC#N)C(C)C)c1 ZINC000536478106 332251222 /nfs/dbraw/zinc/25/12/22/332251222.db2.gz CAXKULJVJHIMCG-UHFFFAOYSA-N 0 0 308.403 2.244 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC000562802481 332628097 /nfs/dbraw/zinc/62/80/97/332628097.db2.gz REHDHILMKYQSQF-AJNGGQMLSA-N 0 0 320.437 2.423 10 30 DEEERN CCCN(Cc1ccc(C#N)cc1)C(=O)CCCCC(N)=O ZINC000187269989 332964969 /nfs/dbraw/zinc/96/49/69/332964969.db2.gz VBWMXKFYWGIVFL-UHFFFAOYSA-N 0 0 301.390 2.343 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(F)ccc1-n1cccn1 ZINC000562997675 333027009 /nfs/dbraw/zinc/02/70/09/333027009.db2.gz FEWYOZJXFFIRGH-LRDDRELGSA-N 0 0 315.348 2.332 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2ccc(OC)cc2C1 ZINC000563027177 333073359 /nfs/dbraw/zinc/07/33/59/333073359.db2.gz FQHNTOLWEBRNIP-YOEHRIQHSA-N 0 0 316.401 2.354 10 30 DEEERN COCCn1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)n1 ZINC000180172771 333159064 /nfs/dbraw/zinc/15/90/64/333159064.db2.gz VLLLMECJLNSTLO-UHFFFAOYSA-N 0 0 310.357 2.337 10 30 DEEERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc(CC#N)cc1 ZINC000534701468 334328224 /nfs/dbraw/zinc/32/82/24/334328224.db2.gz NNRIRVKFDNSPLS-HNNXBMFYSA-N 0 0 300.358 2.309 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCCc1cccc(F)c1 ZINC000345471657 335328182 /nfs/dbraw/zinc/32/81/82/335328182.db2.gz SQYNFIBAETWDSH-UHFFFAOYSA-N 0 0 306.381 2.299 10 30 DEEERN CCC[C@@H](C#N)NC(=O)c1cc(C)n(-c2nc(C)cc(C)n2)n1 ZINC000535850446 335795066 /nfs/dbraw/zinc/79/50/66/335795066.db2.gz ZLJOZQVRFYODGR-ZDUSSCGKSA-N 0 0 312.377 2.010 10 30 DEEERN C=CCCCCCNC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000519420886 335848005 /nfs/dbraw/zinc/84/80/05/335848005.db2.gz SVKZYPKCLKHGIZ-QWHCGFSZSA-N 0 0 304.456 2.196 10 30 DEEERN C=CCn1c(Sc2nc(C)nc(N(C)C)n2)nnc1C1CC1 ZINC000532269144 335928028 /nfs/dbraw/zinc/92/80/28/335928028.db2.gz QBTBRFMTDNHLKP-UHFFFAOYSA-N 0 0 317.422 2.052 10 30 DEEERN C=CCN(CCc1ccco1)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000352089544 336194299 /nfs/dbraw/zinc/19/42/99/336194299.db2.gz NJOOBMSZNQWTKD-CQSZACIVSA-N 0 0 312.435 2.287 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000190148464 336259785 /nfs/dbraw/zinc/25/97/85/336259785.db2.gz JITXWTGAFDTVSD-NSHDSACASA-N 0 0 323.336 2.007 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1cccnc1)C1CC1 ZINC000582238153 336389953 /nfs/dbraw/zinc/38/99/53/336389953.db2.gz POQYVWSVLIHIRX-HOCLYGCPSA-N 0 0 301.390 2.347 10 30 DEEERN CCN(C[C@@H](C)OC)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000361045672 336734933 /nfs/dbraw/zinc/73/49/33/336734933.db2.gz SIGAECJCHFYZTD-WBMJQRKESA-N 0 0 312.410 2.131 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@H](C)[C@@H]2CC3CCC2CC3)C1=O ZINC000582364075 336943983 /nfs/dbraw/zinc/94/39/83/336943983.db2.gz UMWXTJLVZNQACK-UWMJVVDFSA-N 0 0 306.406 2.324 10 30 DEEERN CCC(CC)n1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1 ZINC000378190619 337068003 /nfs/dbraw/zinc/06/80/03/337068003.db2.gz OXMMIHXEYDSLKK-OAHLLOKOSA-N 0 0 315.421 2.057 10 30 DEEERN O=C(C#Cc1ccccc1)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000176255049 337149630 /nfs/dbraw/zinc/14/96/30/337149630.db2.gz KDJKVXRNKFBLIN-MRXNPFEDSA-N 0 0 320.396 2.371 10 30 DEEERN Cc1onc(CC(=O)N2CCC(C3CCOCC3)CC2)c1C#N ZINC000584369527 337224135 /nfs/dbraw/zinc/22/41/35/337224135.db2.gz GMVNTOZZTUIUNC-UHFFFAOYSA-N 0 0 317.389 2.062 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCCCC[C@@H]1C ZINC000571809103 337577702 /nfs/dbraw/zinc/57/77/02/337577702.db2.gz CWXGDGGZKABVOV-UONOGXRCSA-N 0 0 306.410 2.321 10 30 DEEERN C=CCCn1cc(C(=O)N2CC3(CCCC3)OC(C)(C)C2)nn1 ZINC000515468095 337989727 /nfs/dbraw/zinc/98/97/27/337989727.db2.gz HOBCHLIMQZJYJF-UHFFFAOYSA-N 0 0 318.421 2.418 10 30 DEEERN N#CCCCOc1cccc(CNCc2cc(C(N)=O)co2)c1 ZINC000189405812 340535651 /nfs/dbraw/zinc/53/56/51/340535651.db2.gz SBTWILLWVQNRQE-UHFFFAOYSA-N 0 0 313.357 2.351 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC000529836561 340771113 /nfs/dbraw/zinc/77/11/13/340771113.db2.gz QFOWIKKCSQTBCK-GLQYFDAESA-N 0 0 305.374 2.472 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@@H]2C[C@]2(C)OCC)c(OC)c1 ZINC000529851682 340771908 /nfs/dbraw/zinc/77/19/08/340771908.db2.gz NLGIMAXFQKMGIC-AEFFLSMTSA-N 0 0 319.401 2.486 10 30 DEEERN CO[C@@H](C)c1cccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)c1 ZINC000132348338 341121025 /nfs/dbraw/zinc/12/10/25/341121025.db2.gz CKJHHERYPSLXES-RYUDHWBXSA-N 0 0 303.362 2.093 10 30 DEEERN CCC(CC)CN(CCC#N)C(=O)c1nc(C)c(C)[nH]c1=O ZINC000152641847 341213882 /nfs/dbraw/zinc/21/38/82/341213882.db2.gz PRSCUMCDWMXEGK-UHFFFAOYSA-N 0 0 304.394 2.179 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1CCC[C@@H]1O ZINC000134657032 341221237 /nfs/dbraw/zinc/22/12/37/341221237.db2.gz GDWPBAJMLXUHKC-DOMZBBRYSA-N 0 0 305.374 2.151 10 30 DEEERN C=CCn1c(CC)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000548839097 341277595 /nfs/dbraw/zinc/27/75/95/341277595.db2.gz NVGNGWHSNPQLQL-CQSZACIVSA-N 0 0 300.410 2.373 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@]1(C)CO ZINC000548875373 341279205 /nfs/dbraw/zinc/27/92/05/341279205.db2.gz GMVVESIXCPKEJY-GOSISDBHSA-N 0 0 316.401 2.117 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000556246108 341499085 /nfs/dbraw/zinc/49/90/85/341499085.db2.gz XDJIDULYSIURQB-FMKPAKJESA-N 0 0 320.389 2.000 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(F)cc2nccnc21 ZINC000566119432 341548176 /nfs/dbraw/zinc/54/81/76/341548176.db2.gz JKJWHHVDLUZJFU-HZMBPMFUSA-N 0 0 301.321 2.090 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc2ccccc2o1 ZINC000566910483 341571480 /nfs/dbraw/zinc/57/14/80/341571480.db2.gz NZKAOGFJQXKNDQ-STQMWFEESA-N 0 0 307.371 2.302 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(C[C@@H]2CSc3ccccc3O2)C1=O ZINC000567884690 341638645 /nfs/dbraw/zinc/63/86/45/341638645.db2.gz HHZVMXCXCZIUNV-NEPJUHHUSA-N 0 0 318.398 2.426 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000569197242 341693748 /nfs/dbraw/zinc/69/37/48/341693748.db2.gz QCQNEADXOXFBSG-YPMHNXCESA-N 0 0 324.427 2.227 10 30 DEEERN C=CCCCCCNC(=O)N1C[C@@H](C)S(=O)(=O)[C@H](CC)C1 ZINC000576001001 341819456 /nfs/dbraw/zinc/81/94/56/341819456.db2.gz REJXOUBLAITJAK-ZIAGYGMSSA-N 0 0 316.467 2.340 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCC[C@@]1(CO)CCC ZINC000576412779 341845212 /nfs/dbraw/zinc/84/52/12/341845212.db2.gz QMRLOBCIPMCWPE-QGZVFWFLSA-N 0 0 310.438 2.003 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2C[C@@H](OCC)[C@@]23CCCO3)CCOCC1 ZINC000577216629 341897928 /nfs/dbraw/zinc/89/79/28/341897928.db2.gz STTFKYSHBHCROH-IIDMSEBBSA-N 0 0 323.433 2.202 10 30 DEEERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)NCC2CCC(C#N)CC2)C1 ZINC000443220256 533803494 /nfs/dbraw/zinc/80/34/94/533803494.db2.gz FGALNIKSZOFQKG-DGKWVBSXSA-N 0 0 313.467 2.129 10 30 DEEERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Cc1cccc2cccnc21 ZINC000330207823 534056671 /nfs/dbraw/zinc/05/66/71/534056671.db2.gz AONLPJLWGFAAKA-SMDDNHRTSA-N 0 0 318.398 2.167 10 30 DEEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000453725452 534361953 /nfs/dbraw/zinc/36/19/53/534361953.db2.gz CFOXPDNPKBECQT-LBPRGKRZSA-N 0 0 300.358 2.225 10 30 DEEERN C=CCC1(C(=O)N(C)C[C@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000449923799 534581417 /nfs/dbraw/zinc/58/14/17/534581417.db2.gz GTECXTBPUBBBBO-CQSZACIVSA-N 0 0 313.463 2.406 10 30 DEEERN COCCn1cnnc1SCc1ccc(OC)c(C#N)c1 ZINC000162231358 522142532 /nfs/dbraw/zinc/14/25/32/522142532.db2.gz QZROTTJYSRIXJY-UHFFFAOYSA-N 0 0 304.375 2.097 10 30 DEEERN C=CCCCN(C)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000277124926 534701970 /nfs/dbraw/zinc/70/19/70/534701970.db2.gz RQSUUPITXUNBGD-UHFFFAOYSA-N 0 0 303.410 2.053 10 30 DEEERN CN1CCCc2cc(CNC(=O)c3ccnc(C#N)c3)ccc21 ZINC000193008107 523861903 /nfs/dbraw/zinc/86/19/03/523861903.db2.gz YQNXRRQRKRWVPF-UHFFFAOYSA-N 0 0 306.369 2.266 10 30 DEEERN C=CCC[C@H](CO)NC(=O)C(=O)Nc1ccc(CC)c(CC)c1 ZINC000454054562 534802122 /nfs/dbraw/zinc/80/21/22/534802122.db2.gz JRKFSCFYYIXITI-MRXNPFEDSA-N 0 0 318.417 2.193 10 30 DEEERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccnc(C#N)c1 ZINC000193174332 534824805 /nfs/dbraw/zinc/82/48/05/534824805.db2.gz VRHMCUZVHGEMPO-OAHLLOKOSA-N 0 0 309.373 2.281 10 30 DEEERN C=CCN(CCOC)C(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000192298242 526293003 /nfs/dbraw/zinc/29/30/03/526293003.db2.gz IIIXEKXKRYSOPU-UHFFFAOYSA-N 0 0 305.378 2.336 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)c1ccnc2n[nH]nc21 ZINC000339251961 526311683 /nfs/dbraw/zinc/31/16/83/526311683.db2.gz CYAGJQUBXZKHQM-UHFFFAOYSA-N 0 0 307.357 2.224 10 30 DEEERN CC#CCN(C)C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000341065926 526354282 /nfs/dbraw/zinc/35/42/82/526354282.db2.gz ORIWNXJLVGZAFK-UHFFFAOYSA-N 0 0 306.163 2.421 10 30 DEEERN CC#CCN(C)CC(=O)Nc1ccnn1CC1CCCCC1 ZINC000339756701 526358068 /nfs/dbraw/zinc/35/80/68/526358068.db2.gz NHECYYRYBJKXKV-UHFFFAOYSA-N 0 0 302.422 2.357 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)CCc2ccc(C)cc2)C1=O ZINC000337086502 526460746 /nfs/dbraw/zinc/46/07/46/526460746.db2.gz FDUJNNCPEUYNFL-MRXNPFEDSA-N 0 0 300.402 2.173 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000154627836 526517306 /nfs/dbraw/zinc/51/73/06/526517306.db2.gz RPJQJOBUQBZRMM-UHFFFAOYSA-N 0 0 314.345 2.100 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000192064857 526517442 /nfs/dbraw/zinc/51/74/42/526517442.db2.gz TZDADEVIJKCPEI-LBPRGKRZSA-N 0 0 304.394 2.217 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CCO[C@@H](c2nc(C)cs2)C1 ZINC000195390230 526523093 /nfs/dbraw/zinc/52/30/93/526523093.db2.gz DXZOCOWQOIQWSB-CQSZACIVSA-N 0 0 323.462 2.249 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N2CCC(=O)[C@H](C)C2)cc1 ZINC000281033506 526646367 /nfs/dbraw/zinc/64/63/67/526646367.db2.gz UNSPFAHSSVEWDY-GFCCVEGCSA-N 0 0 315.373 2.045 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000376871506 526674491 /nfs/dbraw/zinc/67/44/91/526674491.db2.gz GRRYXFNHJPDVIC-UHFFFAOYSA-N 0 0 316.364 2.227 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000376934316 526674909 /nfs/dbraw/zinc/67/49/09/526674909.db2.gz RNHRFTLUSVFIKQ-ZWKOTPCHSA-N 0 0 312.388 2.350 10 30 DEEERN C#CCC1(C(=O)N2CC[C@H](NC(=O)C3CCC3)C2)CCCCC1 ZINC000375515352 526675562 /nfs/dbraw/zinc/67/55/62/526675562.db2.gz RHMAEJJWUAYENF-INIZCTEOSA-N 0 0 316.445 2.477 10 30 DEEERN C=CCOCC(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000354292252 526710251 /nfs/dbraw/zinc/71/02/51/526710251.db2.gz SUUIENOVSFHMMC-LBPRGKRZSA-N 0 0 309.163 2.333 10 30 DEEERN C#CCCCS(=O)(=O)N1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000375321942 526719028 /nfs/dbraw/zinc/71/90/28/526719028.db2.gz XBDOGDJAYMGASE-HOCLYGCPSA-N 0 0 307.415 2.192 10 30 DEEERN C#CCCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C ZINC000369300575 526737860 /nfs/dbraw/zinc/73/78/60/526737860.db2.gz YCWIJFGJZZMJCR-QGZVFWFLSA-N 0 0 312.413 2.126 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1)OCC ZINC000339370676 526744735 /nfs/dbraw/zinc/74/47/35/526744735.db2.gz BNTVDCPZYQFCGG-JKSUJKDBSA-N 0 0 322.449 2.219 10 30 DEEERN C=CCOCCNC(=O)N1CCCN(c2ccccc2)CC1 ZINC000378590429 526775362 /nfs/dbraw/zinc/77/53/62/526775362.db2.gz QHGFOBDPHJLMOR-UHFFFAOYSA-N 0 0 303.406 2.111 10 30 DEEERN C=CCOCCNC(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000369963694 526776305 /nfs/dbraw/zinc/77/63/05/526776305.db2.gz HFOCSTZEGSJTFZ-GOSISDBHSA-N 0 0 316.401 2.420 10 30 DEEERN C=CCOCCNC(=O)N1CCc2ccc(C(C)=O)cc2CC1 ZINC000377386681 526777402 /nfs/dbraw/zinc/77/74/02/526777402.db2.gz QKGPILZKLMGZMY-UHFFFAOYSA-N 0 0 316.401 2.202 10 30 DEEERN C=C(C)[C@H](CC(=O)Nc1cc(-c2nccn2C)nn1C)OCC ZINC000371057855 526815692 /nfs/dbraw/zinc/81/56/92/526815692.db2.gz ZDLHWHQJXANNQO-ZDUSSCGKSA-N 0 0 317.393 2.130 10 30 DEEERN C=CCOc1ccccc1CNC(=O)C(=O)NC[C@H](C)C(C)C ZINC000347591207 526935995 /nfs/dbraw/zinc/93/59/95/526935995.db2.gz KRLZVPKBAXYMCE-AWEZNQCLSA-N 0 0 318.417 2.276 10 30 DEEERN C=CCS(=O)(=O)N(C)Cc1csc(Br)c1 ZINC000280722565 526979009 /nfs/dbraw/zinc/97/90/09/526979009.db2.gz JBMLZZMNUUUXFS-UHFFFAOYSA-N 0 0 310.238 2.458 10 30 DEEERN C=CCC(C)(C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000292550190 526994132 /nfs/dbraw/zinc/99/41/32/526994132.db2.gz XDPPPAWPHRUMST-NSHDSACASA-N 0 0 310.419 2.114 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCC[C@H]1OC ZINC000293588898 527042139 /nfs/dbraw/zinc/04/21/39/527042139.db2.gz OEOURBGEEKCJJL-GDBMZVCRSA-N 0 0 314.385 2.193 10 30 DEEERN C=CC[C@@H](CC)NC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000337104309 527051259 /nfs/dbraw/zinc/05/12/59/527051259.db2.gz YLJXXFLBKYRQNS-SNVBAGLBSA-N 0 0 305.769 2.400 10 30 DEEERN C=CCC1(c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)CCOCC1 ZINC000333570146 527065253 /nfs/dbraw/zinc/06/52/53/527065253.db2.gz MISYWPOJTWHYMK-ZIAGYGMSSA-N 0 0 319.405 2.230 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000341691162 527069880 /nfs/dbraw/zinc/06/98/80/527069880.db2.gz AWPCMVRIWIRQPY-CQSZACIVSA-N 0 0 314.389 2.487 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(C)(C)CC)cc1 ZINC000440033240 527085710 /nfs/dbraw/zinc/08/57/10/527085710.db2.gz YMQRGVQVAWWYOI-HNNXBMFYSA-N 0 0 318.417 2.366 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc2c(cc1OCC)C[C@H](C)O2 ZINC000183427331 527095937 /nfs/dbraw/zinc/09/59/37/527095937.db2.gz AZMPZFLPPRSLRG-AAEUAGOBSA-N 0 0 320.389 2.467 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1 ZINC000337045569 527097512 /nfs/dbraw/zinc/09/75/12/527097512.db2.gz FIPGSVGQVZYAJT-RISCZKNCSA-N 0 0 322.430 2.179 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(CC)nc2onc(CCC)c21 ZINC000337380286 527097992 /nfs/dbraw/zinc/09/79/92/527097992.db2.gz BWTSLYIAFKUDBZ-LBPRGKRZSA-N 0 0 317.389 2.405 10 30 DEEERN C=CC[C@H](C)NC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000373879187 527132855 /nfs/dbraw/zinc/13/28/55/527132855.db2.gz SYZBDPTUHYCYGH-ZNMIVQPWSA-N 0 0 307.438 2.431 10 30 DEEERN C#CCOc1ccccc1NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000188083967 527133992 /nfs/dbraw/zinc/13/39/92/527133992.db2.gz FMBOVSVORZXVII-AEFFLSMTSA-N 0 0 322.364 2.478 10 30 DEEERN C=CC[C@H](C)NS(=O)(=O)c1ccccc1Cn1ccnc1 ZINC000442940379 527139763 /nfs/dbraw/zinc/13/97/63/527139763.db2.gz FIGTZTYQFSMXDZ-ZDUSSCGKSA-N 0 0 305.403 2.174 10 30 DEEERN C=CCCCCNC(=O)C(=O)NCc1ccc(OCC)c(F)c1 ZINC000286498849 527140924 /nfs/dbraw/zinc/14/09/24/527140924.db2.gz RYHFEXIIUWMDRB-UHFFFAOYSA-N 0 0 322.380 2.313 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000370022591 527148697 /nfs/dbraw/zinc/14/86/97/527148697.db2.gz UJKRLQVVXNOXMV-AWEZNQCLSA-N 0 0 317.437 2.473 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H](C)OC[C@H]1C ZINC000288242780 527172246 /nfs/dbraw/zinc/17/22/46/527172246.db2.gz SJLXGQFHAVRDFZ-BFYDXBDKSA-N 0 0 300.402 2.440 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cnn(C)c1 ZINC000287484295 527173521 /nfs/dbraw/zinc/17/35/21/527173521.db2.gz QOIOZOGKXROXBV-RHSMWYFYSA-N 0 0 310.401 2.415 10 30 DEEERN C#CC[C@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000371312899 527174459 /nfs/dbraw/zinc/17/44/59/527174459.db2.gz FGAKFXOSAYTXNC-MSOLQXFVSA-N 0 0 322.412 2.133 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000341850428 527174791 /nfs/dbraw/zinc/17/47/91/527174791.db2.gz CYEBCBGMTYDASV-UAGQMJEPSA-N 0 0 318.417 2.248 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000338778835 527175748 /nfs/dbraw/zinc/17/57/48/527175748.db2.gz XGXJKMIFVLSAMY-XHDPSFHLSA-N 0 0 322.380 2.305 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000359261344 527177087 /nfs/dbraw/zinc/17/70/87/527177087.db2.gz LYYMDGLGSGKLHK-ZDUSSCGKSA-N 0 0 306.406 2.450 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000346783629 527178586 /nfs/dbraw/zinc/17/85/86/527178586.db2.gz QWCWKYJHMCDNLJ-ZIAGYGMSSA-N 0 0 310.438 2.119 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(OC)cc(OC)c1C ZINC000337509373 527180537 /nfs/dbraw/zinc/18/05/37/527180537.db2.gz SSGPBOSEBVZRJI-UHFFFAOYSA-N 0 0 320.389 2.375 10 30 DEEERN C=CCCCN(C)C(=O)Nc1cccnc1N1CCOCC1 ZINC000077282922 527187528 /nfs/dbraw/zinc/18/75/28/527187528.db2.gz FAMJONQZTTVQJG-UHFFFAOYSA-N 0 0 304.394 2.348 10 30 DEEERN C=CCCCN(C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265585356 527192796 /nfs/dbraw/zinc/19/27/96/527192796.db2.gz HCJOVWGTEFYUIC-AWEZNQCLSA-N 0 0 324.384 2.410 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCc1cccc(Br)c1 ZINC000185923269 527193911 /nfs/dbraw/zinc/19/39/11/527193911.db2.gz PRPSDIISHRQAES-CYBMUJFWSA-N 0 0 312.207 2.435 10 30 DEEERN C=CCCCNC(=O)C(=O)N1CC[C@@](C)(c2ccccc2)C1 ZINC000342509764 527203698 /nfs/dbraw/zinc/20/36/98/527203698.db2.gz MCMIIBLRBSTMLC-GOSISDBHSA-N 0 0 300.402 2.259 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccc(OC)c2ncccc12 ZINC000448372204 527209250 /nfs/dbraw/zinc/20/92/50/527209250.db2.gz BLONFWVEBIQJOR-UHFFFAOYSA-N 0 0 313.357 2.264 10 30 DEEERN C=CCCCNC(=O)Nc1ccc2ccn(CC(=O)NC)c2c1 ZINC000448000067 527223085 /nfs/dbraw/zinc/22/30/85/527223085.db2.gz OKVCQBMQKFMPBS-UHFFFAOYSA-N 0 0 314.389 2.475 10 30 DEEERN CC(=O)c1ccc(C#N)cc1NC[C@H](C)N1CCOC[C@@H]1C ZINC000302105420 527232281 /nfs/dbraw/zinc/23/22/81/527232281.db2.gz NIDLVZIZPGNOBC-STQMWFEESA-N 0 0 301.390 2.282 10 30 DEEERN C=CCn1c(-c2ccc(C)o2)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000337806883 527268857 /nfs/dbraw/zinc/26/88/57/527268857.db2.gz IBRWUMBNRVGWLN-BETUJISGSA-N 0 0 300.362 2.400 10 30 DEEERN C=CCn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H]1CCCO1 ZINC000282509952 527271695 /nfs/dbraw/zinc/27/16/95/527271695.db2.gz FPQCQXJZLXRWFC-AWEZNQCLSA-N 0 0 313.405 2.450 10 30 DEEERN C=CCn1c(N(C)CCCCOC)nnc1[C@]1(C)CCCO1 ZINC000417453731 527329015 /nfs/dbraw/zinc/32/90/15/527329015.db2.gz PHEYXZAIWMGDAD-INIZCTEOSA-N 0 0 308.426 2.353 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC000337822215 527356552 /nfs/dbraw/zinc/35/65/52/527356552.db2.gz SMPAPVGAPQETLH-CHWSQXEVSA-N 0 0 306.410 2.367 10 30 DEEERN C=CCCO[C@@H](C)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000435292202 527386936 /nfs/dbraw/zinc/38/69/36/527386936.db2.gz YFWKRGXMIWITCC-GXTWGEPZSA-N 0 0 302.374 2.210 10 30 DEEERN C#Cc1ccc(CNC(=O)N[C@@H](C)c2nnc(C)s2)cc1 ZINC000296645549 527436874 /nfs/dbraw/zinc/43/68/74/527436874.db2.gz MQBKRQUVDSEXJU-JTQLQIEISA-N 0 0 300.387 2.388 10 30 DEEERN C#Cc1ccc(CNC(=O)N[C@@H](CC)[C@H](O)C(F)(F)F)cc1 ZINC000297718633 527436918 /nfs/dbraw/zinc/43/69/18/527436918.db2.gz SISCEPFNZFVNDF-STQMWFEESA-N 0 0 314.307 2.169 10 30 DEEERN C=CCC[C@H](C(=O)N1CC(=O)N(C)[C@H](C)C1)c1ccccc1 ZINC000337687272 527462155 /nfs/dbraw/zinc/46/21/55/527462155.db2.gz JQNLTIYDWNQHPC-ZBFHGGJFSA-N 0 0 300.402 2.426 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)COc1ccc(OCC)cc1 ZINC000424920547 527492647 /nfs/dbraw/zinc/49/26/47/527492647.db2.gz ZVSZDPQICCPKQM-BBRMVZONSA-N 0 0 305.374 2.171 10 30 DEEERN C=CCN(C(=O)C[C@@H]1CCOC1)c1nc(C(=O)OCC)cs1 ZINC000351852656 527537450 /nfs/dbraw/zinc/53/74/50/527537450.db2.gz ZOPMPNQSXWMZTD-NSHDSACASA-N 0 0 324.402 2.265 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000189426859 527616903 /nfs/dbraw/zinc/61/69/03/527616903.db2.gz TWAIWRRCTRNNSU-DOTOQJQBSA-N 0 0 304.390 2.290 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H](C)N1CCO[C@@H](c2nccs2)C1 ZINC000249800937 527629037 /nfs/dbraw/zinc/62/90/37/527629037.db2.gz AERNEWZKQJMYQJ-ZIAGYGMSSA-N 0 0 321.446 2.106 10 30 DEEERN C=CCN(CCC#N)C(=O)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000340620401 527653429 /nfs/dbraw/zinc/65/34/29/527653429.db2.gz SWAYZRAVGVTUQP-CYBMUJFWSA-N 0 0 315.373 2.261 10 30 DEEERN C=CCN(CCC#N)C(=O)c1ccc(-c2ccccn2)[nH]c1=O ZINC000359405464 527656678 /nfs/dbraw/zinc/65/66/78/527656678.db2.gz UFVGVTHBVPTEKN-UHFFFAOYSA-N 0 0 308.341 2.391 10 30 DEEERN CC1(C)Cc2cccc(S(=O)(=O)N[C@H]3CCC[C@H]3C#N)c2O1 ZINC000407958514 527778564 /nfs/dbraw/zinc/77/85/64/527778564.db2.gz RSOXKMVDSLUCGL-STQMWFEESA-N 0 0 320.414 2.371 10 30 DEEERN CC1(C)[C@H](NC(=O)c2cnn3ccncc23)[C@@H]2CCCO[C@@H]21 ZINC000329258630 527851963 /nfs/dbraw/zinc/85/19/63/527851963.db2.gz CIVVHFCQXCMOFZ-GDLCADMTSA-N 0 0 300.362 2.238 10 30 DEEERN CC1CCN(C(=O)N[C@H](C2CC2)C2(CO)CCOCC2)CC1 ZINC000328861805 528212399 /nfs/dbraw/zinc/21/23/99/528212399.db2.gz VOPLESOXAPPRFX-OAHLLOKOSA-N 0 0 310.438 2.200 10 30 DEEERN CCC(=O)N[C@H]1CCCN(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000442722790 528417848 /nfs/dbraw/zinc/41/78/48/528417848.db2.gz QBQIPFQNSCNSAK-NRXISQOPSA-N 0 0 320.437 2.017 10 30 DEEERN CCCc1nc(C)c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)s1 ZINC000370972173 528702111 /nfs/dbraw/zinc/70/21/11/528702111.db2.gz IMKQUZSBHFFBRJ-CYBMUJFWSA-N 0 0 318.446 2.216 10 30 DEEERN CC1(C)CCCN(C(=O)c2cccc(-n3cncn3)c2)[C@H]1C#N ZINC000408394664 528930126 /nfs/dbraw/zinc/93/01/26/528930126.db2.gz KHLTWXWWIGFFSJ-HNNXBMFYSA-N 0 0 309.373 2.422 10 30 DEEERN CC[C@H]1CCCN1C(=O)NCCN1CCc2ccccc2C1=O ZINC000329815163 529218415 /nfs/dbraw/zinc/21/84/15/529218415.db2.gz VBLKDVQNCOYRHM-HNNXBMFYSA-N 0 0 315.417 2.473 10 30 DEEERN COc1ccc2c(c1)ncn(Cc1ccc(C#N)c(F)c1)c2=O ZINC000188143121 537020912 /nfs/dbraw/zinc/02/09/12/537020912.db2.gz LQCXGKDRDBXSDX-UHFFFAOYSA-N 0 0 309.300 2.464 10 30 DEEERN Cc1cccc2c1OCC[C@@H]2NS(=O)(=O)CC1(C#N)CC1 ZINC000188647477 625453901 /nfs/dbraw/zinc/45/39/01/625453901.db2.gz MFWNNKZTBBQFFA-ZDUSSCGKSA-N 0 0 306.387 2.042 10 30 DEEERN C#CCCS(=O)(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000288960153 625492204 /nfs/dbraw/zinc/49/22/04/625492204.db2.gz WKZRXJIIAVRAOO-UHFFFAOYSA-N 0 0 306.362 2.018 10 30 DEEERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2CC[C@@H](C)C2)C1 ZINC000330172992 625572949 /nfs/dbraw/zinc/57/29/49/625572949.db2.gz GZMRDVAZTHOZQN-FOUMNBMASA-N 0 0 308.382 2.242 10 30 DEEERN N#CCCn1ccc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)n1 ZINC000255009315 622949700 /nfs/dbraw/zinc/94/97/00/622949700.db2.gz MWEPDBWDPMVJQC-XFFZJAGNSA-N 0 0 320.349 2.348 10 30 DEEERN COc1ccccc1NC(=O)CON=Cc1ccc([N+](=O)[O-])o1 ZINC000255071088 623368269 /nfs/dbraw/zinc/36/82/69/623368269.db2.gz BXHFOWOUWVRNAV-UHFFFAOYSA-N 0 0 319.273 2.186 10 30 DEEERN C=CCN(C(=O)C(=O)NCc1ccc(OCC)c(F)c1)C(C)C ZINC000804857820 623773042 /nfs/dbraw/zinc/77/30/42/623773042.db2.gz ROCXHPIUYDAGHW-UHFFFAOYSA-N 0 0 322.380 2.264 10 30 DEEERN C=CCCCCCCNC(=O)NCCc1nnc2n1CCC2 ZINC000806938911 623897659 /nfs/dbraw/zinc/89/76/59/623897659.db2.gz YTTTVHOXZZGHBQ-UHFFFAOYSA-N 0 0 305.426 2.203 10 30 DEEERN C#CC[C@@H](OC(=O)[C@@H](C)Sc1nnnn1C1CC1)C(C)C ZINC000177725073 625069929 /nfs/dbraw/zinc/06/99/29/625069929.db2.gz NBJSRMZXKAMDAA-ZYHUDNBSSA-N 0 0 308.407 2.080 10 30 DEEERN C=C(Br)COC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000194948628 625759493 /nfs/dbraw/zinc/75/94/93/625759493.db2.gz BKANRJJPHDSFOJ-JTQLQIEISA-N 0 0 304.184 2.085 10 30 DEEERN C#C[C@H](C)NC(=O)c1ccccc1SCc1nc(C)no1 ZINC000186107956 633063123 /nfs/dbraw/zinc/06/31/23/633063123.db2.gz GZWHWYBDTORRKT-JTQLQIEISA-N 0 0 301.371 2.422 10 30 DEEERN C#CCOc1ccccc1CNC(=O)NCCOC(C)(C)C ZINC000734168194 633341548 /nfs/dbraw/zinc/34/15/48/633341548.db2.gz NNVHTWKLXYWZKR-UHFFFAOYSA-N 0 0 304.390 2.313 10 30 DEEERN CNC(=O)[C@H]1CCCCN1Cc1cc(Cl)ccc1OCC#N ZINC000735308351 633500415 /nfs/dbraw/zinc/50/04/15/633500415.db2.gz IIBPMDCTNHZFJQ-CQSZACIVSA-N 0 0 321.808 2.343 10 30 DEEERN C=CC[C@@H](NS(=O)(=O)Cc1cc(C)on1)c1ccncc1 ZINC000735317339 633501552 /nfs/dbraw/zinc/50/15/52/633501552.db2.gz DJEFQFJLCLEQEQ-CQSZACIVSA-N 0 0 307.375 2.115 10 30 DEEERN CC#CCOC(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000091112900 634344854 /nfs/dbraw/zinc/34/48/54/634344854.db2.gz FUNKGMKJZAUPPJ-AWEZNQCLSA-N 0 0 309.312 2.286 10 30 DEEERN C#CCCCOC(=O)c1cnn2cc(Br)cnc12 ZINC000094160905 635042930 /nfs/dbraw/zinc/04/29/30/635042930.db2.gz YZPCGJGOJGLYJK-UHFFFAOYSA-N 0 0 308.135 2.062 10 30 DEEERN N#Cc1ccccc1/C=C\C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000255366293 635848603 /nfs/dbraw/zinc/84/86/03/635848603.db2.gz JOBLLMRHENTGSH-LZNQSLFOSA-N 0 0 321.384 2.102 10 30 DEEERN C[C@H](C#N)CNC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000251950830 636277556 /nfs/dbraw/zinc/27/75/56/636277556.db2.gz VDPPGWHVCWRMME-UPJWGTAASA-N 0 0 324.425 2.233 10 30 DEEERN C#CCOc1cccc(COC(=O)c2cc(C(=O)OC)co2)c1 ZINC000185275249 637595934 /nfs/dbraw/zinc/59/59/34/637595934.db2.gz NKRYGDATNWQCDU-UHFFFAOYSA-N 0 0 314.293 2.435 10 30 DEEERN C=CCCOCC(=O)OC[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000739216622 637597524 /nfs/dbraw/zinc/59/75/24/637597524.db2.gz CIANMQQHHKDOGC-AWEZNQCLSA-N 0 0 303.358 2.175 10 30 DEEERN C#CCSCCNC(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC000739825030 637719020 /nfs/dbraw/zinc/71/90/20/637719020.db2.gz NARNFKBAAZTDCP-UHFFFAOYSA-N 0 0 318.398 2.281 10 30 DEEERN C#CCSCCNC(=O)c1ccc2c(c1O)OC(C)(C)C2 ZINC000740148647 637809703 /nfs/dbraw/zinc/80/97/03/637809703.db2.gz IUXZBUFNLIIUHZ-UHFFFAOYSA-N 0 0 305.399 2.202 10 30 DEEERN C=CCNC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000744031224 638186420 /nfs/dbraw/zinc/18/64/20/638186420.db2.gz UNLDMAPBUGKPKC-KGYLQXTDSA-N 0 0 304.296 2.079 10 30 DEEERN C#CC[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)C1CCCCC1 ZINC000744213837 638202407 /nfs/dbraw/zinc/20/24/07/638202407.db2.gz MOZSJCAQPCYYAH-MSOLQXFVSA-N 0 0 318.461 2.424 10 30 DEEERN COc1ccc(CNC(=O)NCc2ccc(C#N)cc2)cc1C#N ZINC000746710770 638371718 /nfs/dbraw/zinc/37/17/18/638371718.db2.gz OOBQIVMPGGPGNE-UHFFFAOYSA-N 0 0 320.352 2.438 10 30 DEEERN COc1ccc(CNC(=O)NCC#Cc2ccccc2)cc1C#N ZINC000746704535 638371749 /nfs/dbraw/zinc/37/17/49/638371749.db2.gz BULHSXVALSZDJZ-UHFFFAOYSA-N 0 0 319.364 2.418 10 30 DEEERN COC(=O)c1cccc(C(=O)NCc2ccc(OC)c(C#N)c2)c1 ZINC000746857322 638381716 /nfs/dbraw/zinc/38/17/16/638381716.db2.gz GAUVPWFWGBZTRO-UHFFFAOYSA-N 0 0 324.336 2.283 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc(/C=C/C(=O)OC)cc1 ZINC000747275361 638425799 /nfs/dbraw/zinc/42/57/99/638425799.db2.gz NTEVOVGXUHRKKX-FMIVXFBMSA-N 0 0 323.414 2.460 10 30 DEEERN C=CCCCC(=O)OCC(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000748235444 638533699 /nfs/dbraw/zinc/53/36/99/638533699.db2.gz NYWXFTXQHUUKPE-NSHDSACASA-N 0 0 317.341 2.488 10 30 DEEERN C=CCCCC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O ZINC000748238927 638534839 /nfs/dbraw/zinc/53/48/39/638534839.db2.gz AUTFZBDQKJJQLA-CYBMUJFWSA-N 0 0 311.378 2.464 10 30 DEEERN N#Cc1cccc(CC(=O)OCC(=O)c2cccc(C#N)c2)c1 ZINC000748303193 638540585 /nfs/dbraw/zinc/54/05/85/638540585.db2.gz XHRNTGUJJQRRRA-UHFFFAOYSA-N 0 0 304.305 2.399 10 30 DEEERN C=CCCOCC(=O)NC1CCN(c2ccccc2C#N)CC1 ZINC000749533372 638658910 /nfs/dbraw/zinc/65/89/10/638658910.db2.gz MHGAZWYMMDCGOA-UHFFFAOYSA-N 0 0 313.401 2.236 10 30 DEEERN N#Cc1cccc(CC(=O)OCC(=O)N2CCCCCC2)c1 ZINC000750430558 638743803 /nfs/dbraw/zinc/74/38/03/638743803.db2.gz OTECZWPCCZIUAE-UHFFFAOYSA-N 0 0 300.358 2.047 10 30 DEEERN N#Cc1cccc(CC(=O)OCC(=O)c2ccc3c(c2)CCO3)c1 ZINC000750434561 638745181 /nfs/dbraw/zinc/74/51/81/638745181.db2.gz YEIDQGHFTLXXEC-UHFFFAOYSA-N 0 0 321.332 2.462 10 30 DEEERN C#CC[C@H](OC(=O)c1nn(CC)c2ccccc2c1=O)C1CC1 ZINC000750777664 639026657 /nfs/dbraw/zinc/02/66/57/639026657.db2.gz GCPSNAPIGXOAGO-HNNXBMFYSA-N 0 0 310.353 2.375 10 30 DEEERN C=C(COC(=O)c1occc1Br)C(=O)OCC ZINC000751703522 639108422 /nfs/dbraw/zinc/10/84/22/639108422.db2.gz OHXGTUSDFDKBQS-UHFFFAOYSA-N 0 0 303.108 2.318 10 30 DEEERN C=CCn1nnn(CN2CCC(C3CCOCC3)CC2)c1=S ZINC000752803979 639222868 /nfs/dbraw/zinc/22/28/68/639222868.db2.gz JHIFIHHODOPDBZ-UHFFFAOYSA-N 0 0 323.466 2.091 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cn1)C(C)(C)C ZINC000805146241 639839619 /nfs/dbraw/zinc/83/96/19/639839619.db2.gz AASDCUBFNJBCOV-JTQLQIEISA-N 0 0 320.336 2.427 10 30 DEEERN C=CCOc1ccccc1C(=O)O[C@H]1CC[C@@H](S(C)(=O)=O)C1 ZINC000752204063 639934998 /nfs/dbraw/zinc/93/49/98/639934998.db2.gz AAOLBNFVAHMXOJ-QWHCGFSZSA-N 0 0 324.398 2.374 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCC[C@H](C)[S@@](C)=O ZINC000805216693 640255481 /nfs/dbraw/zinc/25/54/81/640255481.db2.gz BROPRBUOJIRNOF-GZWGPKMKSA-N 0 0 320.458 2.077 10 30 DEEERN Cc1ccc(-c2ccc(C=NNC(N)=S)o2)c([N+](=O)[O-])c1 ZINC000252622532 640619127 /nfs/dbraw/zinc/61/91/27/640619127.db2.gz NXOIMQVDJRXKNT-UHFFFAOYSA-N 0 0 304.331 2.330 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCOC(F)(F)F ZINC000805332065 640900811 /nfs/dbraw/zinc/90/08/11/640900811.db2.gz XAMVQJOFLRNKPT-ZDUSSCGKSA-N 0 0 314.307 2.457 10 30 DEEERN Cc1nn(C)c(C)c1C(=O)/C=C\c1c(Br)cnn1C ZINC000096577646 641542346 /nfs/dbraw/zinc/54/23/46/641542346.db2.gz PLYUKKVBMKMCEU-WAYWQWQTSA-N 0 0 323.194 2.429 10 30 DEEERN CCN1CC[C@@H](/N=C/c2cc(Br)ccc2O)C1=O ZINC000801646639 641586933 /nfs/dbraw/zinc/58/69/33/641586933.db2.gz UUHMWIGAGBLBGO-OXFWXOROSA-N 0 0 311.179 2.194 10 30 DEEERN C=CCN(C(=O)C(=O)NCCc1cc(F)ccc1F)C(C)C ZINC000805824296 643439057 /nfs/dbraw/zinc/43/90/57/643439057.db2.gz NQBRMSRZPUQMQQ-UHFFFAOYSA-N 0 0 310.344 2.047 10 30 DEEERN C#C[C@@H](C)NC(=O)Cc1c(F)ccc(Br)c1F ZINC000800539774 645285970 /nfs/dbraw/zinc/28/59/70/645285970.db2.gz MIOHEEIFRUTARC-SSDOTTSWSA-N 0 0 302.118 2.408 10 30 DEEERN C#C[C@H](NC(=O)Nc1cc(OC)cc(OC)c1C)[C@@H]1CCCO1 ZINC000800573156 645288521 /nfs/dbraw/zinc/28/85/21/645288521.db2.gz MOSWMMMHJGPYHE-ZFWWWQNUSA-N 0 0 318.373 2.315 10 30 DEEERN C#CCN(C)c1nnc(CN2CCCc3ccccc32)n1CC=C ZINC000800781581 645303569 /nfs/dbraw/zinc/30/35/69/645303569.db2.gz MLCPUZFSUALGRS-UHFFFAOYSA-N 0 0 321.428 2.486 10 30 DEEERN C#CC[C@@H](NC(=O)N1CCO[C@H](C(F)F)C1)c1ccccc1 ZINC000801045819 645334325 /nfs/dbraw/zinc/33/43/25/645334325.db2.gz JEPPBFISSPEMRQ-KGLIPLIRSA-N 0 0 308.328 2.427 10 30 DEEERN CC#CC(=O)Nc1cc(Br)ccc1OCCOC ZINC000801184091 645348728 /nfs/dbraw/zinc/34/87/28/645348728.db2.gz HZUGLXFJXDFINZ-UHFFFAOYSA-N 0 0 312.163 2.436 10 30 DEEERN CCC[C@]1(C2CC2)NC(=O)N(CN2CCC(C)(C#N)CC2)C1=O ZINC000802738270 645550876 /nfs/dbraw/zinc/55/08/76/645550876.db2.gz QUPFKYVLTDQZGF-QGZVFWFLSA-N 0 0 318.421 2.070 10 30 DEEERN C[C@H](C#N)OCCSCC(=O)Nc1ccc2c(c1)OCO2 ZINC000802750320 645551771 /nfs/dbraw/zinc/55/17/71/645551771.db2.gz CIDLNVSSOOJZJV-SNVBAGLBSA-N 0 0 308.359 2.016 10 30 DEEERN C#C[C@@H](C)Oc1ccc(COC(=O)COC[C@@H]2CCCO2)cc1 ZINC000802809743 645562091 /nfs/dbraw/zinc/56/20/91/645562091.db2.gz PMMIDOLZIBMLEF-PBHICJAKSA-N 0 0 318.369 2.326 10 30 DEEERN C=CCOCCCC(=O)Oc1ccccc1CS(C)(=O)=O ZINC000803082970 645603458 /nfs/dbraw/zinc/60/34/58/645603458.db2.gz PVZRVUBTIAIFRL-UHFFFAOYSA-N 0 0 312.387 2.119 10 30 DEEERN C#CCn1c(-c2cnnn2C)csc1=Nc1ccc(F)cc1 ZINC000803162998 645612927 /nfs/dbraw/zinc/61/29/27/645612927.db2.gz LEFZXYOAXPCEGN-UHFFFAOYSA-N 0 0 313.361 2.350 10 30 DEEERN N#Cc1cccc(CC(=O)OCC(=O)COc2ccccc2)c1 ZINC000803379246 645643381 /nfs/dbraw/zinc/64/33/81/645643381.db2.gz DZOFXYMMFNZODF-UHFFFAOYSA-N 0 0 309.321 2.292 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)OC)n1 ZINC000803522640 645667809 /nfs/dbraw/zinc/66/78/09/645667809.db2.gz GGCJIUJYFNVNSI-HNNXBMFYSA-N 0 0 322.364 2.233 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)OC)n1 ZINC000803522642 645667904 /nfs/dbraw/zinc/66/79/04/645667904.db2.gz GGCJIUJYFNVNSI-OAHLLOKOSA-N 0 0 322.364 2.233 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cnc(OCC)cn1 ZINC000803525419 645668454 /nfs/dbraw/zinc/66/84/54/645668454.db2.gz AXMCFKVNJXWBSR-HNNXBMFYSA-N 0 0 309.369 2.240 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000803697569 645680865 /nfs/dbraw/zinc/68/08/65/645680865.db2.gz JVXMUDKPMHCRPQ-NSHDSACASA-N 0 0 319.307 2.498 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H]1CCCN(c2ccccc2)C1=O ZINC000803699335 645681685 /nfs/dbraw/zinc/68/16/85/645681685.db2.gz ZOUVANSJAJWDAP-QGZVFWFLSA-N 0 0 309.365 2.388 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000803700387 645682400 /nfs/dbraw/zinc/68/24/00/645682400.db2.gz NRDWOFHVSCSXSJ-FMKPAKJESA-N 0 0 303.402 2.276 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000803700389 645682426 /nfs/dbraw/zinc/68/24/26/645682426.db2.gz NRDWOFHVSCSXSJ-LZWOXQAQSA-N 0 0 303.402 2.276 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000803701203 645682574 /nfs/dbraw/zinc/68/25/74/645682574.db2.gz ORFIAWHSVJYRDE-LLVKDONJSA-N 0 0 319.307 2.498 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)c1cnn(-c2ccccc2)c1 ZINC000803701107 645682780 /nfs/dbraw/zinc/68/27/80/645682780.db2.gz LKKPCLHOQCTOGR-UHFFFAOYSA-N 0 0 320.348 2.261 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000803700841 645682831 /nfs/dbraw/zinc/68/28/31/645682831.db2.gz ASYVGYSUIKVGML-NSHDSACASA-N 0 0 319.307 2.498 10 30 DEEERN C[C@@H](CO)COC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000803866565 645708317 /nfs/dbraw/zinc/70/83/17/645708317.db2.gz ITGXHMHLGBHCIP-LBPRGKRZSA-N 0 0 320.364 2.085 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccccc1 ZINC000804453585 645773222 /nfs/dbraw/zinc/77/32/22/645773222.db2.gz FWCVBVRJTLPCOL-KRWDZBQOSA-N 0 0 306.365 2.376 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCC12OCCO2 ZINC000804459934 645774985 /nfs/dbraw/zinc/77/49/85/645774985.db2.gz RVVKXYKCDAKVLR-DLBZAZTESA-N 0 0 313.397 2.280 10 30 DEEERN C#C[C@H](C)NC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000806331297 645820864 /nfs/dbraw/zinc/82/08/64/645820864.db2.gz IHYNDUQOJIXPDW-FFVOIRBGSA-N 0 0 304.293 2.457 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cnc(N(C)C)nc1 ZINC000806364611 645823020 /nfs/dbraw/zinc/82/30/20/645823020.db2.gz CCNMLRIGXKDPBS-HNNXBMFYSA-N 0 0 323.400 2.299 10 30 DEEERN C#Cc1cncc(C(=O)N(CCC(=O)OC)Cc2ccccc2)c1 ZINC000806368880 645823173 /nfs/dbraw/zinc/82/31/73/645823173.db2.gz JJRGHNYUBKXAQC-UHFFFAOYSA-N 0 0 322.364 2.268 10 30 DEEERN C#Cc1cncc(C(=O)NCCCc2ccc(OC)c(OC)c2)c1 ZINC000806611224 645852948 /nfs/dbraw/zinc/85/29/48/645852948.db2.gz QFDYNWBQVDIPGQ-UHFFFAOYSA-N 0 0 324.380 2.443 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@H](CCC(=O)OCC)C1 ZINC000807137171 645913655 /nfs/dbraw/zinc/91/36/55/645913655.db2.gz GTZAJRDRKSPXCR-OAHLLOKOSA-N 0 0 303.402 2.231 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](O)[C@@H](C)C1 ZINC000807471288 645955540 /nfs/dbraw/zinc/95/55/40/645955540.db2.gz WODYPWINLGFYSJ-USXIJHARSA-N 0 0 300.402 2.033 10 30 DEEERN C#CCOc1ccccc1CNc1nccn(C(F)F)c1=O ZINC000807977522 646014004 /nfs/dbraw/zinc/01/40/04/646014004.db2.gz QGRRDAWQKVWCBW-UHFFFAOYSA-N 0 0 305.284 2.263 10 30 DEEERN C#CCC1(C(=O)NC[C@H](CO)c2cccnc2)CCCCC1 ZINC000807851496 645998383 /nfs/dbraw/zinc/99/83/83/645998383.db2.gz UMFQVKQHMSKNFV-MRXNPFEDSA-N 0 0 300.402 2.248 10 30 DEEERN CCOc1ccccc1CCC(=O)[C@@H](C#N)C(=O)NC1CC1 ZINC000129436108 646118685 /nfs/dbraw/zinc/11/86/85/646118685.db2.gz IHVVSZVJXZERJL-CQSZACIVSA-N 0 0 300.358 2.005 10 30 DEEERN C[C@@H](C(=O)[C@H](C#N)C(=O)NC1CCCCC1)C1CCOCC1 ZINC000165487483 646500454 /nfs/dbraw/zinc/50/04/54/646500454.db2.gz GRBHFFKPGGCDGD-DOMZBBRYSA-N 0 0 306.406 2.207 10 30 DEEERN CC[C@H](C#N)Oc1cc(CNC(=O)C(C)(C)OC)ccc1OC ZINC000172007524 646718627 /nfs/dbraw/zinc/71/86/27/646718627.db2.gz TVMYIMJGHSQKRD-CYBMUJFWSA-N 0 0 320.389 2.417 10 30 DEEERN N#Cc1cc(Cn2cncc(Br)c2=O)ccc1F ZINC000230181266 646722207 /nfs/dbraw/zinc/72/22/07/646722207.db2.gz DKUWOUXVAMUOSB-UHFFFAOYSA-N 0 0 308.110 2.065 10 30 DEEERN C#CCCCNC(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000174096423 646790411 /nfs/dbraw/zinc/79/04/11/646790411.db2.gz NLVHKUQYCULJMY-UHFFFAOYSA-N 0 0 319.380 2.079 10 30 DEEERN C#C[C@@H](C)OC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000174453140 646810553 /nfs/dbraw/zinc/81/05/53/646810553.db2.gz BLUUELSDAOZXRT-NEPJUHHUSA-N 0 0 303.383 2.326 10 30 DEEERN C#CCN(C1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000153111699 647356519 /nfs/dbraw/zinc/35/65/19/647356519.db2.gz XEHQKGWVWZANCB-UHFFFAOYSA-N 0 0 322.386 2.470 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)OCCOCCC)cc2C1=O ZINC000730697007 647381438 /nfs/dbraw/zinc/38/14/38/647381438.db2.gz UOYOZYMGOFCNPG-UHFFFAOYSA-N 0 0 317.341 2.052 10 30 DEEERN C=CCCOCC(=O)O[C@@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000731297015 647465651 /nfs/dbraw/zinc/46/56/51/647465651.db2.gz ONETZMNJMDYNRS-OAHLLOKOSA-N 0 0 319.405 2.198 10 30 DEEERN C[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732648588 647635760 /nfs/dbraw/zinc/63/57/60/647635760.db2.gz WATCGUFRRHGQTQ-DYVFJYSZSA-N 0 0 315.392 2.203 10 30 DEEERN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1(C)C ZINC000732651991 647637263 /nfs/dbraw/zinc/63/72/63/647637263.db2.gz LWBKQVJHBFFNJM-OAGGEKHMSA-N 0 0 301.434 2.424 10 30 DEEERN N#C[C@H]1CN(C(=O)CCc2cccc(Cl)c2)CCN1C1CC1 ZINC000732651558 647637530 /nfs/dbraw/zinc/63/75/30/647637530.db2.gz CCTBOMBZQFKGKQ-INIZCTEOSA-N 0 0 317.820 2.471 10 30 DEEERN N#C[C@H]1CN(Cc2cncc(Br)c2)CCN1C1CC1 ZINC000732668830 647639001 /nfs/dbraw/zinc/63/90/01/647639001.db2.gz PKRFSVXSYHKULW-AWEZNQCLSA-N 0 0 321.222 2.016 10 30 DEEERN C#CCNC(=O)c1ccc(N(C)Cc2ccccc2OCC)nc1 ZINC000732921521 647712724 /nfs/dbraw/zinc/71/27/24/647712724.db2.gz XLFGUXCHQBWAPX-UHFFFAOYSA-N 0 0 323.396 2.480 10 30 DEEERN CN1C(=O)CC[C@H](C(=O)N[C@@H](C#N)C2CC2)[C@H]1c1ccccc1 ZINC000179662120 648407879 /nfs/dbraw/zinc/40/78/79/648407879.db2.gz LJELURZLVPOPFS-YQQAZPJKSA-N 0 0 311.385 2.014 10 30 DEEERN COCc1nc(C)c(C(=O)OCC2(C#N)CCOCC2)s1 ZINC000183975895 649214646 /nfs/dbraw/zinc/21/46/46/649214646.db2.gz ASVFJIQMBNPTEZ-UHFFFAOYSA-N 0 0 310.375 2.075 10 30 DEEERN C#CCCNC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000733246952 649463173 /nfs/dbraw/zinc/46/31/73/649463173.db2.gz XAVYEDXRHVARSQ-HUUCEWRRSA-N 0 0 300.402 2.049 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(-n2cnc3ccccc32)nc1 ZINC000185767199 649611908 /nfs/dbraw/zinc/61/19/08/649611908.db2.gz LCOIYRKFXHQHCT-AWEZNQCLSA-N 0 0 322.368 2.087 10 30 DEEERN C#CCOc1ccc(NC(=O)NCc2cccnc2N(C)C)cc1 ZINC000108520882 651660357 /nfs/dbraw/zinc/66/03/57/651660357.db2.gz FKKYAHNEETZGIV-UHFFFAOYSA-N 0 0 324.384 2.481 10 30 DEEERN C=C(C)CNC(=S)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000018164008 683856947 /nfs/dbraw/zinc/85/69/47/683856947.db2.gz KAXNQUPPZVCEFT-GFCCVEGCSA-N 0 0 301.419 2.369 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)NCCCCSC)c1 ZINC000077792498 683956365 /nfs/dbraw/zinc/95/63/65/683956365.db2.gz JNOUUNAMBFWVIN-UHFFFAOYSA-N 0 0 319.430 2.049 10 30 DEEERN CN(CCC#N)C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000078343077 683960844 /nfs/dbraw/zinc/96/08/44/683960844.db2.gz FPJXOEVTZXBVBC-UHFFFAOYSA-N 0 0 321.380 2.455 10 30 DEEERN C#CC[C@@H](OC(=O)C1CCN(C(=O)N2CCCC2)CC1)C1CC1 ZINC000079208748 683970528 /nfs/dbraw/zinc/97/05/28/683970528.db2.gz LBTJXRNJQUWMAP-MRXNPFEDSA-N 0 0 318.417 2.259 10 30 DEEERN C#CC[C@@H](OC(=O)CSc1nnnn1C1CCCC1)C1CC1 ZINC000079206129 683970726 /nfs/dbraw/zinc/97/07/26/683970726.db2.gz YXAOJMHRFCUSQC-CYBMUJFWSA-N 0 0 320.418 2.225 10 30 DEEERN C[C@@H](C#N)CNC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000081791423 683994407 /nfs/dbraw/zinc/99/44/07/683994407.db2.gz PENNBCCIAXKWEX-AWEZNQCLSA-N 0 0 321.380 2.359 10 30 DEEERN CCC(=O)N1CC[C@@H](C(=O)OC[C@H](C#N)Cc2cccs2)C1 ZINC000089294836 684021378 /nfs/dbraw/zinc/02/13/78/684021378.db2.gz NYTTXITWEPOKDG-QWHCGFSZSA-N 0 0 320.414 2.232 10 30 DEEERN C=CCC[C@H](C)OC(=O)[C@@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000089319714 684021999 /nfs/dbraw/zinc/02/19/99/684021999.db2.gz LKBKICAITUTABP-RFQIPJPRSA-N 0 0 307.390 2.448 10 30 DEEERN Cc1cccn2c1ncc(C(=O)Oc1ccc(C#N)cc1F)c2=O ZINC000091205233 684035664 /nfs/dbraw/zinc/03/56/64/684035664.db2.gz LTVOLFXXCZAHCJ-UHFFFAOYSA-N 0 0 323.283 2.233 10 30 DEEERN CC(C)[C@H](C#N)OC(=O)CCc1nc(-c2ccncc2)no1 ZINC000122363616 684114745 /nfs/dbraw/zinc/11/47/45/684114745.db2.gz FVOMSMQEUIXNPW-LBPRGKRZSA-N 0 0 300.318 2.156 10 30 DEEERN C=C(Br)CNC(=O)NCCCc1c(C)noc1C ZINC000122852241 684119621 /nfs/dbraw/zinc/11/96/21/684119621.db2.gz BHCHQPCFBGYVET-UHFFFAOYSA-N 0 0 316.199 2.432 10 30 DEEERN C#CCOc1cccc(COC(=O)CCc2cnn(C)c2C)c1 ZINC000124471642 684135586 /nfs/dbraw/zinc/13/55/86/684135586.db2.gz LJFJAXPJFWVADO-UHFFFAOYSA-N 0 0 312.369 2.417 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)O[C@@H](C#N)C2CC2)C1 ZINC000125110453 684142041 /nfs/dbraw/zinc/14/20/41/684142041.db2.gz YFMFQKCSUPMIJT-YPMHNXCESA-N 0 0 308.378 2.479 10 30 DEEERN C#CCN(C(=O)C(=O)Nc1ccc(C)cc1OC)C1CCCC1 ZINC000128015402 684167380 /nfs/dbraw/zinc/16/73/80/684167380.db2.gz FUMCVZRDVJIMCJ-UHFFFAOYSA-N 0 0 314.385 2.347 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000129507101 684179718 /nfs/dbraw/zinc/17/97/18/684179718.db2.gz JGSJCPZSDTVYEW-AWEZNQCLSA-N 0 0 304.309 2.223 10 30 DEEERN CCOc1ccccc1CCC(=O)[C@@H](C#N)C(=O)NC(C)C ZINC000130883772 684193916 /nfs/dbraw/zinc/19/39/16/684193916.db2.gz IWMQLLIVRDFAQL-CQSZACIVSA-N 0 0 302.374 2.251 10 30 DEEERN N#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000135296271 684234019 /nfs/dbraw/zinc/23/40/19/684234019.db2.gz JTIGYMUBTUQJAI-DGCLKSJQSA-N 0 0 321.352 2.401 10 30 DEEERN CN(C[C@@H]1CCCO1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000135312026 684234245 /nfs/dbraw/zinc/23/42/45/684234245.db2.gz AWUVNQLVNPSYSZ-LBPRGKRZSA-N 0 0 307.325 2.371 10 30 DEEERN C#CCCCCNC(=O)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000159070455 684309065 /nfs/dbraw/zinc/30/90/65/684309065.db2.gz WLMSUPPZYPZXEW-ZDUSSCGKSA-N 0 0 302.374 2.252 10 30 DEEERN C=C[C@](C)(CCOC)COC(=O)CNC(=O)c1ccccc1 ZINC000187558710 684340748 /nfs/dbraw/zinc/34/07/48/684340748.db2.gz SHQFNXJRZATMPK-QGZVFWFLSA-N 0 0 305.374 2.188 10 30 DEEERN Nn1c(SCC#Cc2ccccc2)nnc1-c1ccccn1 ZINC000188017065 684347456 /nfs/dbraw/zinc/34/74/56/684347456.db2.gz MPBKBRYJKURVEG-UHFFFAOYSA-N 0 0 307.382 2.198 10 30 DEEERN C=CC[C@@H](OC(=O)CCC(=O)N1CCOCC1)c1ccccc1 ZINC000189247441 684376670 /nfs/dbraw/zinc/37/66/70/684376670.db2.gz JNZULOYIGNTOTO-MRXNPFEDSA-N 0 0 317.385 2.486 10 30 DEEERN COc1cnccc1[C@@H](C)NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000189696885 684385630 /nfs/dbraw/zinc/38/56/30/684385630.db2.gz LNWBCYTZGDJWKL-GFCCVEGCSA-N 0 0 324.336 2.048 10 30 DEEERN C=C[C@@](C)(CCOC)COC(=O)c1ccc2nnn(C)c2c1 ZINC000191100273 684421125 /nfs/dbraw/zinc/42/11/25/684421125.db2.gz IOOSGJPFXPQQMU-INIZCTEOSA-N 0 0 303.362 2.354 10 30 DEEERN COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000246642711 685133661 /nfs/dbraw/zinc/13/36/61/685133661.db2.gz VWFJJFNBTFJEDP-SOUVJXGZSA-N 0 0 306.406 2.064 10 30 DEEERN CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)C[C@H]1CC[C@@H](C)C1 ZINC000247688411 685152780 /nfs/dbraw/zinc/15/27/80/685152780.db2.gz SJNOIULGGCHXHH-ILXRZTDVSA-N 0 0 308.422 2.453 10 30 DEEERN CC(=O)N1CCO[C@@H]2CCN(c3cc(Cl)ccc3C#N)C[C@@H]21 ZINC000886034069 691989106 /nfs/dbraw/zinc/98/91/06/691989106.db2.gz HEYXVQNBAFBCIS-JKSUJKDBSA-N 0 0 319.792 2.038 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCO[C@@H]1c1cn[nH]c1 ZINC000886085326 692000173 /nfs/dbraw/zinc/00/01/73/692000173.db2.gz DHAZJLQWKCZLGM-CJNGLKHVSA-N 0 0 310.357 2.097 10 30 DEEERN N#Cc1nc(N2CCC[C@@H]2c2ccc(N)nn2)ccc1Cl ZINC000886085504 692000206 /nfs/dbraw/zinc/00/02/06/692000206.db2.gz IPLQSTCLAPHZCP-GFCCVEGCSA-N 0 0 300.753 2.320 10 30 DEEERN CON=Cc1ccc(C(=O)OCC2(C#N)CCOCC2)cc1 ZINC000588411772 777107974 /nfs/dbraw/zinc/10/79/74/777107974.db2.gz OJLZFKQUDBLISM-UHFFFAOYSA-N 0 0 302.330 2.144 10 30 DEEERN C#Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)cn1 ZINC000728810489 778477396 /nfs/dbraw/zinc/47/73/96/778477396.db2.gz RSWKLGLXLSHFQT-JKSUJKDBSA-N 0 0 316.426 2.190 10 30 DEEERN C#Cc1ccc(C(=O)NCc2cccc(OCCOC)c2)nc1 ZINC000728815086 778498618 /nfs/dbraw/zinc/49/86/18/778498618.db2.gz NFYWRSUWCQWYKM-UHFFFAOYSA-N 0 0 310.353 2.018 10 30 DEEERN N#CCc1ccc(Cn2cncc(Br)c2=O)cc1 ZINC000399071439 778640414 /nfs/dbraw/zinc/64/04/14/778640414.db2.gz DZLSTTWARFFTKQ-UHFFFAOYSA-N 0 0 304.147 2.120 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000745231625 784699272 /nfs/dbraw/zinc/69/92/72/784699272.db2.gz KLJMZGAYAYDFDK-XHVZSJERSA-N 0 0 309.312 2.302 10 30 DEEERN C=CCn1c(C)cc(C(=O)COC(=O)[C@H]2CCC[C@@H]2O)c1C ZINC000745336603 784710924 /nfs/dbraw/zinc/71/09/24/784710924.db2.gz KNGAZZWUIWMBTC-ZFWWWQNUSA-N 0 0 305.374 2.178 10 30 DEEERN CO[C@H]1CC[C@H]1N(C)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000724120640 787350611 /nfs/dbraw/zinc/35/06/11/787350611.db2.gz NCKRGYBYGLQRCM-NEPJUHHUSA-N 0 0 314.794 2.010 10 30 DEEERN C=C[C@@H](NCCc1sccc1Br)C(=O)OC ZINC000713051945 792212499 /nfs/dbraw/zinc/21/24/99/792212499.db2.gz FWJSQGTVNYHLLM-SECBINFHSA-N 0 0 304.209 2.370 10 30 DEEERN C#CC[C@H](COC)NC(=O)c1cccc(F)c1Br ZINC000716847854 793010336 /nfs/dbraw/zinc/01/03/36/793010336.db2.gz QCGUYDPXVKYKEJ-SECBINFHSA-N 0 0 314.154 2.356 10 30 DEEERN C#CC[C@@H](CO)NC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000717705009 799428420 /nfs/dbraw/zinc/42/84/20/799428420.db2.gz XJLKEAJKGWQXQP-RISCZKNCSA-N 0 0 324.218 2.443 10 30 DEEERN Cc1cc(C(=O)N2CCOC[C@H]2C#N)sc1Br ZINC000081790630 1079558718 /nfs/dbraw/zinc/55/87/18/1079558718.db2.gz LJWNRKMYZSJWPC-MRVPVSSYSA-N 0 0 315.192 2.184 10 30 DEEERN C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CCO1 ZINC000720477421 1085136715 /nfs/dbraw/zinc/13/67/15/1085136715.db2.gz UCJHSVBWFUKWPD-JTQLQIEISA-N 0 0 314.794 2.011 10 30 DEEERN C#C[C@@H](CO)Nc1ncc(Br)cc1C(F)(F)F ZINC000718165219 1088394732 /nfs/dbraw/zinc/39/47/32/1088394732.db2.gz PFBRMQSDHTZGTI-ZETCQYMHSA-N 0 0 309.085 2.269 10 30 DEEERN CC[C@@H](CSC)NS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000719971442 1089423293 /nfs/dbraw/zinc/42/32/93/1089423293.db2.gz BLBVCBQWDRHYGD-NSHDSACASA-N 0 0 302.396 2.117 10 30 DEEERN COC(C)(C)[C@@H](C)NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000720054292 1089444697 /nfs/dbraw/zinc/44/46/97/1089444697.db2.gz URBPRRFPCNYARZ-SECBINFHSA-N 0 0 316.810 2.303 10 30 DEEERN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000076735796 185037240 /nfs/dbraw/zinc/03/72/40/185037240.db2.gz KGMAAXOTXQFZLB-ZDUSSCGKSA-N 0 0 324.446 2.315 10 30 DEEERN Cn1ccnc1C[C@H](NC(=O)NCCCC#N)c1ccccc1 ZINC000612161293 361760696 /nfs/dbraw/zinc/76/06/96/361760696.db2.gz AGOMYYGKUXNUPV-HNNXBMFYSA-N 0 0 311.389 2.307 10 30 DEEERN C[C@]1(C#N)CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000612153690 361758541 /nfs/dbraw/zinc/75/85/41/361758541.db2.gz MRFDMVAEWLKDDL-CQSZACIVSA-N 0 0 323.374 2.050 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CCOCc1ccccc1 ZINC000612279942 361778361 /nfs/dbraw/zinc/77/83/61/361778361.db2.gz OOZRTNSTUMEVPZ-QGZVFWFLSA-N 0 0 318.417 2.133 10 30 DEEERN C=CCN(C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1)C1CC1 ZINC000278438578 214153614 /nfs/dbraw/zinc/15/36/14/214153614.db2.gz VIYGBYJYVIKQME-AWEZNQCLSA-N 0 0 317.437 2.057 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCc2c1cccc2OC ZINC000612374345 361807935 /nfs/dbraw/zinc/80/79/35/361807935.db2.gz LXRBQJZRMCNTEK-HZPDHXFCSA-N 0 0 316.401 2.270 10 30 DEEERN C=C1CCN(c2nnc(-c3cn[nH]c3)n2C[C@H]2CCCO2)CC1 ZINC000625099045 365643047 /nfs/dbraw/zinc/64/30/47/365643047.db2.gz REHAGULCUJTCLL-CQSZACIVSA-N 0 0 314.393 2.004 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1cccc(OCC)c1 ZINC000612684807 361893523 /nfs/dbraw/zinc/89/35/23/361893523.db2.gz AILIRTMKYROIEN-KRWDZBQOSA-N 0 0 318.417 2.215 10 30 DEEERN C=CCCCN(C)c1nnc(-c2nnn(C)c2C)n1CC1CC1 ZINC000612950653 361959439 /nfs/dbraw/zinc/95/94/39/361959439.db2.gz RQNAPQGXBYXWQY-UHFFFAOYSA-N 0 0 315.425 2.194 10 30 DEEERN C=CCOCCCC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000079441265 185171789 /nfs/dbraw/zinc/17/17/89/185171789.db2.gz KDVZCSXKAYOYKG-AWEZNQCLSA-N 0 0 323.414 2.004 10 30 DEEERN N#Cc1ccc(NC(=O)Cc2cnnn2-c2ccccc2)cc1 ZINC000082338794 185176318 /nfs/dbraw/zinc/17/63/18/185176318.db2.gz OWVCFSJCYNOFLK-UHFFFAOYSA-N 0 0 303.325 2.320 10 30 DEEERN C=C[C@](C)(O)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000613108375 362004313 /nfs/dbraw/zinc/00/43/13/362004313.db2.gz RUZHULPBPRNDTE-DZKIICNBSA-N 0 0 308.809 2.138 10 30 DEEERN CN1CCN([C@H](C#N)c2ccc(F)c(Br)c2)CC1 ZINC000088044907 185238090 /nfs/dbraw/zinc/23/80/90/185238090.db2.gz PYAOPVVBVWGMMU-CYBMUJFWSA-N 0 0 312.186 2.400 10 30 DEEERN COc1ccc(C#CCO)c(CN(C)CCC(F)(F)F)c1 ZINC000088433523 185249741 /nfs/dbraw/zinc/24/97/41/185249741.db2.gz YTYBIMBGJFHSOZ-UHFFFAOYSA-N 0 0 301.308 2.423 10 30 DEEERN CC[C@@H](NC(=O)NCC1CCC(C#N)CC1)[C@H](O)C(F)(F)F ZINC000442741211 529621400 /nfs/dbraw/zinc/62/14/00/529621400.db2.gz UTYWDNSZSVQNQP-HCWSGVFWSA-N 0 0 321.343 2.317 10 30 DEEERN CC#CCNC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000613121613 362008859 /nfs/dbraw/zinc/00/88/59/362008859.db2.gz JEBYWRPAMBGVLH-OAHLLOKOSA-N 0 0 306.365 2.346 10 30 DEEERN C=C[C@H](O)C(=O)N[C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000613331028 362082560 /nfs/dbraw/zinc/08/25/60/362082560.db2.gz PBASKWLEHQGMRF-JYJNAYRXSA-N 0 0 324.371 2.152 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000625326175 365730060 /nfs/dbraw/zinc/73/00/60/365730060.db2.gz OKQMXFARFQKRBE-UHFFFAOYSA-N 0 0 324.446 2.269 10 30 DEEERN O=C(NCC#CCOc1cccnc1)c1cc2ccccc2[nH]1 ZINC000090733868 185311719 /nfs/dbraw/zinc/31/17/19/185311719.db2.gz USVBYPFRVYGFBO-UHFFFAOYSA-N 0 0 305.337 2.375 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNc1ccccc1F ZINC000613468557 362121958 /nfs/dbraw/zinc/12/19/58/362121958.db2.gz QHNIWANDIFKXAU-INIZCTEOSA-N 0 0 321.396 2.215 10 30 DEEERN CC(C)c1nnc2n1C[C@H](NC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000181357809 199285233 /nfs/dbraw/zinc/28/52/33/199285233.db2.gz JPPQJHRCJCYPCC-CQSZACIVSA-N 0 0 324.388 2.410 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCOc1ccc(Cl)c(F)c1 ZINC000613484808 362125401 /nfs/dbraw/zinc/12/54/01/362125401.db2.gz FVGGFHUITGTYOF-SNVBAGLBSA-N 0 0 301.745 2.301 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(C(F)(F)F)c(OC)c1 ZINC000613486211 362126930 /nfs/dbraw/zinc/12/69/30/362126930.db2.gz BYRSMWPUTXGCDU-SNVBAGLBSA-N 0 0 303.280 2.381 10 30 DEEERN C#CCNCc1nc(Cc2ccc(Br)cc2)no1 ZINC000092481319 185321213 /nfs/dbraw/zinc/32/12/13/185321213.db2.gz HONPQCWORILXIJ-UHFFFAOYSA-N 0 0 306.163 2.146 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)Cc1cccc(O)c1 ZINC000625392838 365760661 /nfs/dbraw/zinc/76/06/61/365760661.db2.gz HDSMOKNPIJSJEO-UHFFFAOYSA-N 0 0 304.390 2.069 10 30 DEEERN C=CCC1(C(=O)N2CC[C@H](N3CCC3)[C@H](F)C2)CCOCC1 ZINC000614103621 362287749 /nfs/dbraw/zinc/28/77/49/362287749.db2.gz MAQJQBIHJPNTMR-CABCVRRESA-N 0 0 310.413 2.004 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cnc(CC(C)C)nc1 ZINC000614256642 362331038 /nfs/dbraw/zinc/33/10/38/362331038.db2.gz ILYDDHYGHWVJRJ-CQSZACIVSA-N 0 0 304.394 2.085 10 30 DEEERN C=CCOc1ccc(C(=O)NCC2(C)OCCCO2)cc1OC ZINC000278028334 213921647 /nfs/dbraw/zinc/92/16/47/213921647.db2.gz YLNPXWSVLUDBBW-UHFFFAOYSA-N 0 0 321.373 2.143 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H](NCC(F)(F)F)C(C)C ZINC000614372100 362363579 /nfs/dbraw/zinc/36/35/79/362363579.db2.gz GNWLOWDAYBMZKR-FRRDWIJNSA-N 0 0 322.371 2.260 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)C(C)(C)CC(F)(F)F)C1=O ZINC000614393504 362370201 /nfs/dbraw/zinc/37/02/01/362370201.db2.gz FVMZHEKROYLNAS-SNVBAGLBSA-N 0 0 306.328 2.210 10 30 DEEERN CN(CC#Cc1ccccc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000192110349 282337774 /nfs/dbraw/zinc/33/77/74/282337774.db2.gz CGXVAFIOKSMMPV-SJORKVTESA-N 0 0 305.443 2.326 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1cccc2[nH]ccc21 ZINC000614488480 362395644 /nfs/dbraw/zinc/39/56/44/362395644.db2.gz MJYQNKVHOPCETA-QGZVFWFLSA-N 0 0 313.401 2.298 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCOc2ccc(C)cc2C1 ZINC000614729691 362449189 /nfs/dbraw/zinc/44/91/89/362449189.db2.gz SGLNFLVRRBUUNX-INIZCTEOSA-N 0 0 316.401 2.187 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1O ZINC000614825478 362471350 /nfs/dbraw/zinc/47/13/50/362471350.db2.gz HYVGWYRNDGYSOH-AVGNSLFASA-N 0 0 319.405 2.469 10 30 DEEERN COc1ccc(NC(=O)c2sccc2C#CCO)cc1F ZINC000111532212 185611277 /nfs/dbraw/zinc/61/12/77/185611277.db2.gz LMHBXDRAMDFQBD-UHFFFAOYSA-N 0 0 305.330 2.492 10 30 DEEERN C=CC(C)(C)CNC(=O)CN1CC[C@@H](c2ccccc2)NC1=O ZINC000615830614 362710674 /nfs/dbraw/zinc/71/06/74/362710674.db2.gz DPPURBYFWWBTIY-HNNXBMFYSA-N 0 0 315.417 2.471 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](c2cc(C)ccn2)C1 ZINC000615915439 362731693 /nfs/dbraw/zinc/73/16/93/362731693.db2.gz YHIZVRPEWIGOJA-NVXWUHKLSA-N 0 0 315.417 2.177 10 30 DEEERN CCOC(=O)COc1c(C#N)cc(Cl)nc1Br ZINC000616217887 362799374 /nfs/dbraw/zinc/79/93/74/362799374.db2.gz REUOYEQYZIDHCI-UHFFFAOYSA-N 0 0 319.542 2.311 10 30 DEEERN CC(C)(C(=O)[C@@H](C#N)c1ccc(F)cc1Cl)S(C)(=O)=O ZINC000070129736 190859988 /nfs/dbraw/zinc/85/99/88/190859988.db2.gz JILXYVHXERTFFR-JTQLQIEISA-N 0 0 317.769 2.479 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccnn1-c1ccccc1 ZINC000179373188 539640185 /nfs/dbraw/zinc/64/01/85/539640185.db2.gz QVEWDFZCWIKQJK-UHFFFAOYSA-N 0 0 312.373 2.235 10 30 DEEERN CCC[C@@H]1CC[C@H](C#N)[C@H](S(=O)(=O)CC(=O)OCC)C1 ZINC000084253236 192417905 /nfs/dbraw/zinc/41/79/05/192417905.db2.gz IMNFTMKSXKWEHS-JHJVBQTASA-N 0 0 301.408 2.073 10 30 DEEERN COc1cccc2c1C(=O)N(CCc1c(C)nn(C)c1C)[C@H]2C#N ZINC000071678731 191004973 /nfs/dbraw/zinc/00/49/73/191004973.db2.gz BBUHVNQXRORQPY-HNNXBMFYSA-N 0 0 324.384 2.309 10 30 DEEERN C[C@H]1SCCN(C(=O)c2ccc(C#CCCO)s2)[C@@H]1C ZINC000133634575 186001644 /nfs/dbraw/zinc/00/16/44/186001644.db2.gz DDRSCKAXGFVPBQ-VXGBXAGGSA-N 0 0 309.456 2.448 10 30 DEEERN Cc1cc(C(=O)N[C@H](C)c2ncc[nH]2)sc1C#CCCO ZINC000141609162 186030574 /nfs/dbraw/zinc/03/05/74/186030574.db2.gz LVAUIASUJQPPFD-LLVKDONJSA-N 0 0 303.387 2.005 10 30 DEEERN CC[C@@H](NC(=O)c1sccc1C#CCCO)c1ncc[nH]1 ZINC000141595301 186030652 /nfs/dbraw/zinc/03/06/52/186030652.db2.gz BBEYEZWNLTWWAH-GFCCVEGCSA-N 0 0 303.387 2.086 10 30 DEEERN CC(C)(C#N)CCCOc1ccc(S(N)(=O)=O)c(F)c1F ZINC000147302207 186039201 /nfs/dbraw/zinc/03/92/01/186039201.db2.gz CXCBMHWYYWQRIX-UHFFFAOYSA-N 0 0 318.345 2.321 10 30 DEEERN COc1ccccc1C(=O)NCc1sccc1C#CCO ZINC000148546170 186045280 /nfs/dbraw/zinc/04/52/80/186045280.db2.gz XSRXJGZTYWOIDA-UHFFFAOYSA-N 0 0 301.367 2.031 10 30 DEEERN C=CCNC(=O)NC(=O)[C@H](C)Nc1cccc([C@@H](C)OC)c1 ZINC000171088705 197879132 /nfs/dbraw/zinc/87/91/32/197879132.db2.gz JUDOJDOYZUPNIB-NWDGAFQWSA-N 0 0 305.378 2.206 10 30 DEEERN CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(C2CC2)CC1 ZINC000152469885 186076490 /nfs/dbraw/zinc/07/64/90/186076490.db2.gz MEPBLQQJVOPRME-UHFFFAOYSA-N 0 0 313.401 2.022 10 30 DEEERN COCCN(CCC#N)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000155977544 186125093 /nfs/dbraw/zinc/12/50/93/186125093.db2.gz ZXBYGPSYJMMAEK-UHFFFAOYSA-N 0 0 311.725 2.250 10 30 DEEERN Cc1nc(C)c(C(=O)NCc2sccc2C#CCCO)o1 ZINC000159619089 186131483 /nfs/dbraw/zinc/13/14/83/186131483.db2.gz FIYZTINIKBTTGH-UHFFFAOYSA-N 0 0 304.371 2.017 10 30 DEEERN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cc(C#N)cn2C)C1 ZINC000183839971 186223066 /nfs/dbraw/zinc/22/30/66/186223066.db2.gz XDOXXICHGBGHAZ-ZDUSSCGKSA-N 0 0 317.389 2.091 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCc1cn(C)c2cc(F)ccc12 ZINC000186027112 186232629 /nfs/dbraw/zinc/23/26/29/186232629.db2.gz CXUPYBCEPMFLDL-AWEZNQCLSA-N 0 0 319.380 2.096 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cnc2n(c1=O)CCS2 ZINC000617036825 363006869 /nfs/dbraw/zinc/00/68/69/363006869.db2.gz FPHFUNHUNGAZSJ-WCQYABFASA-N 0 0 319.430 2.214 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000617039839 363007002 /nfs/dbraw/zinc/00/70/02/363007002.db2.gz MJNTXOVMWSEIHX-MOTUXRJWSA-N 0 0 305.418 2.479 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCC[C@]1(C)NC(=O)NC1=O ZINC000617040662 363007053 /nfs/dbraw/zinc/00/70/53/363007053.db2.gz XHAIAHYXSYODSS-IGCXYCKISA-N 0 0 321.421 2.006 10 30 DEEERN C=C(C)COCCNC(=O)c1cc(C)n(-c2cnccn2)c1C ZINC000626125745 366063076 /nfs/dbraw/zinc/06/30/76/366063076.db2.gz WCFVTTLDZJYFNR-UHFFFAOYSA-N 0 0 314.389 2.207 10 30 DEEERN C=CCCC1(CNC(=O)CS(=O)(=O)C(C)C)CCCC1 ZINC000617416203 363127072 /nfs/dbraw/zinc/12/70/72/363127072.db2.gz FUGNACZEQFZGJR-UHFFFAOYSA-N 0 0 301.452 2.452 10 30 DEEERN C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CCCN(C)C1=O ZINC000296073410 539851392 /nfs/dbraw/zinc/85/13/92/539851392.db2.gz CBXJDOLVESJDBW-INIZCTEOSA-N 0 0 300.402 2.460 10 30 DEEERN CC(C)(C[C@@H]1CCCN(C(=O)c2sccc2C#N)C1)C(N)=O ZINC000452448363 535185385 /nfs/dbraw/zinc/18/53/85/535185385.db2.gz GPFXHNCYSYFTJX-NSHDSACASA-N 0 0 319.430 2.374 10 30 DEEERN O=C(CNC(=O)c1ccc2c(c1)CCC2)NC[C@H]1CCCCO1 ZINC000328878902 539912032 /nfs/dbraw/zinc/91/20/32/539912032.db2.gz JLCXAVFLJDTPKJ-MRXNPFEDSA-N 0 0 316.401 2.431 10 30 DEEERN O=C(N[C@H]1CCN(c2ccccc2)C1)N1CCc2cncnc2C1 ZINC000329303773 539918090 /nfs/dbraw/zinc/91/80/90/539918090.db2.gz XPPVZHNBXJEAJN-HNNXBMFYSA-N 0 0 323.400 2.028 10 30 DEEERN CNC(=O)[C@H]1CCCN1S(=O)(=O)CC12CCC(CC1)CC2 ZINC000330323079 539937939 /nfs/dbraw/zinc/93/79/39/539937939.db2.gz HJQLUIQYZZBOQW-JVWICGRDSA-N 0 0 314.451 2.337 10 30 DEEERN C=CC[C@H]1CCCN(C(=O)c2cnc3c(cnn3C)c2OC)C1 ZINC000617781616 363263351 /nfs/dbraw/zinc/26/33/51/363263351.db2.gz QNAVLVNFRAWFHF-LBPRGKRZSA-N 0 0 314.389 2.405 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CC[C@@H](O)C(F)(F)C2)cc1 ZINC000617805709 363271787 /nfs/dbraw/zinc/27/17/87/363271787.db2.gz YTOOGWQWLMKNKN-CQSZACIVSA-N 0 0 311.328 2.022 10 30 DEEERN C=CCN(CC=C)c1c(C)n(-c2ccccc2)c(=O)n(C)c1=O ZINC000003624184 181042273 /nfs/dbraw/zinc/04/22/73/181042273.db2.gz OXKMQABFDJFCKD-UHFFFAOYSA-N 0 0 311.385 2.023 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2cc(C(=O)NC)ccc2OC)C1 ZINC000626287915 366136698 /nfs/dbraw/zinc/13/66/98/366136698.db2.gz SLNVNKHROIWBCU-GFCCVEGCSA-N 0 0 317.389 2.485 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)Nc3cccnc3)cc2C1=O ZINC000015096876 354030678 /nfs/dbraw/zinc/03/06/78/354030678.db2.gz ZOCPKDCMQBQXSH-UHFFFAOYSA-N 0 0 307.309 2.116 10 30 DEEERN Cc1ccc(S(=O)(=O)O[C@@H]2C[C@H]3C[C@@H]2[C@H]([N+](=O)[O-])C3)cc1 ZINC000004368274 181103010 /nfs/dbraw/zinc/10/30/10/181103010.db2.gz DBUTUPHCSIRUQR-IGHBBLSQSA-N 0 0 311.359 2.144 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCCS(=O)(=O)c2ccccc2)C1 ZINC000626326857 366150485 /nfs/dbraw/zinc/15/04/85/366150485.db2.gz NRFXBWFSFLIZBT-AWEZNQCLSA-N 0 0 322.430 2.068 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2ccnc(C(=O)N(C)C)c2)C1 ZINC000626393060 366171809 /nfs/dbraw/zinc/17/18/09/366171809.db2.gz QUUSKQHFEBQYBF-GFCCVEGCSA-N 0 0 302.378 2.213 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCCc1ccc2c(c1)OCCCO2 ZINC000626448936 366191086 /nfs/dbraw/zinc/19/10/86/366191086.db2.gz RBOXLKCOPGSDRQ-OAHLLOKOSA-N 0 0 319.401 2.224 10 30 DEEERN N#CCSCC(=O)NCc1cc(F)cc(Br)c1 ZINC000055973376 354519003 /nfs/dbraw/zinc/51/90/03/354519003.db2.gz RMCZQSRSAXDIAB-UHFFFAOYSA-N 0 0 317.183 2.461 10 30 DEEERN C=CCCc1ccccc1NC(=O)NC[C@@H]1COCCN1C ZINC000626555368 366225703 /nfs/dbraw/zinc/22/57/03/366225703.db2.gz WWNFGMXCTAPJHO-OAHLLOKOSA-N 0 0 303.406 2.257 10 30 DEEERN C=CCCO[C@H](C)C(=O)NCc1cc(OC)c(O)c(OC)c1 ZINC000063584920 354649959 /nfs/dbraw/zinc/64/99/59/354649959.db2.gz HCMKTUGDASIDLJ-LLVKDONJSA-N 0 0 309.362 2.007 10 30 DEEERN N#Cc1ccnc(NC(=O)c2cnnn2-c2ccccc2Cl)c1 ZINC000618137845 363391940 /nfs/dbraw/zinc/39/19/40/363391940.db2.gz QAXCLEMSWZHQCV-UHFFFAOYSA-N 0 0 324.731 2.440 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000069344557 354861746 /nfs/dbraw/zinc/86/17/46/354861746.db2.gz MMMUIXAERTZLEI-NWDGAFQWSA-N 0 0 323.418 2.054 10 30 DEEERN COc1cc(OC)cc([C@@H]2CCN(c3nccnc3C#N)C2)c1 ZINC000081029384 355402531 /nfs/dbraw/zinc/40/25/31/355402531.db2.gz VXQHXRCPYRDRRD-GFCCVEGCSA-N 0 0 310.357 2.359 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N(C)Cc3ccc[nH]3)cc2C1=O ZINC000080975102 355398085 /nfs/dbraw/zinc/39/80/85/355398085.db2.gz VIZOKRYFGHZSIO-UHFFFAOYSA-N 0 0 323.352 2.069 10 30 DEEERN N#CCN1CCc2nc(NC(=O)c3cccs3)sc2C1 ZINC000077144399 191661801 /nfs/dbraw/zinc/66/18/01/191661801.db2.gz DLTKUXFMNFTVEC-UHFFFAOYSA-N 0 0 304.400 2.339 10 30 DEEERN C=CCOc1ccc(CN(CC=C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000092360976 355629829 /nfs/dbraw/zinc/62/98/29/355629829.db2.gz KFLIAFHGVLKMMI-INIZCTEOSA-N 0 0 321.442 2.427 10 30 DEEERN CC(C)[C@H](C)NC(=O)C1CCN(c2cnccc2C#N)CC1 ZINC000094152446 355694599 /nfs/dbraw/zinc/69/45/99/355694599.db2.gz YKXRNMIPLVEHSJ-ZDUSSCGKSA-N 0 0 300.406 2.330 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(C#N)ccc1OCC ZINC000077860862 191786718 /nfs/dbraw/zinc/78/67/18/191786718.db2.gz JACFRIXINOSXRD-UHFFFAOYSA-N 0 0 315.373 2.320 10 30 DEEERN COc1cc(F)ccc1N1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000121441665 355795839 /nfs/dbraw/zinc/79/58/39/355795839.db2.gz SIBPQBGYEQQINU-UHFFFAOYSA-N 0 0 317.364 2.177 10 30 DEEERN N#CC1CCN(CC(=O)Nc2nc3c(s2)CCCC3)CC1 ZINC000141961110 355893143 /nfs/dbraw/zinc/89/31/43/355893143.db2.gz CQSZFRAECPUUGU-UHFFFAOYSA-N 0 0 304.419 2.196 10 30 DEEERN C=CCNC(=O)CNC(=O)c1sc(C2CCCC2)nc1C ZINC000181731350 356092811 /nfs/dbraw/zinc/09/28/11/356092811.db2.gz VHGSZTOZOLMHCP-UHFFFAOYSA-N 0 0 307.419 2.141 10 30 DEEERN CN1c2ccc(NC(=O)c3ccnc(C#N)c3)cc2CCC1=O ZINC000193167083 356223216 /nfs/dbraw/zinc/22/32/16/356223216.db2.gz RAYSJTBKFAGWAI-UHFFFAOYSA-N 0 0 306.325 2.115 10 30 DEEERN Cn1c(CNC(=O)CCc2ccc(C#N)cc2)nnc1C1CCC1 ZINC000184002764 356183110 /nfs/dbraw/zinc/18/31/10/356183110.db2.gz RDRKJDUWIXRWCW-UHFFFAOYSA-N 0 0 323.400 2.203 10 30 DEEERN COCCOc1ccc(C#N)cc1NC(=O)c1cc(C#N)cn1C ZINC000184427796 356191101 /nfs/dbraw/zinc/19/11/01/356191101.db2.gz ROUWVSSGQOCDDG-UHFFFAOYSA-N 0 0 324.340 2.046 10 30 DEEERN CC[C@H](C#N)NC(=O)c1sccc1I ZINC000306208475 356402780 /nfs/dbraw/zinc/40/27/80/356402780.db2.gz RIFQRDVIFAZEPR-ZCFIWIBFSA-N 0 0 320.155 2.385 10 30 DEEERN O=C(Cc1ccoc1)NC[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328630010 356464258 /nfs/dbraw/zinc/46/42/58/356464258.db2.gz IYHSZKGDOUGMOV-GJZGRUSLSA-N 0 0 318.352 2.181 10 30 DEEERN N#Cc1ccc(N2CCO[C@@]3(CCOC3)C2)c(Br)c1 ZINC000274439310 283163398 /nfs/dbraw/zinc/16/33/98/283163398.db2.gz UEKWBFMRKFWBHD-AWEZNQCLSA-N 0 0 323.190 2.316 10 30 DEEERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H](C)Cn1ccnc1 ZINC000328628306 356463585 /nfs/dbraw/zinc/46/35/85/356463585.db2.gz NNVUTILNKROBIH-UMVBOHGHSA-N 0 0 317.393 2.222 10 30 DEEERN C[C@H](NS(=O)(=O)c1ccc(CC#N)cc1)c1ccncc1 ZINC000081298608 192247023 /nfs/dbraw/zinc/24/70/23/192247023.db2.gz HGTPPTCQSDNZJL-LBPRGKRZSA-N 0 0 301.371 2.187 10 30 DEEERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc(C#N)cn1C ZINC000081535259 192284887 /nfs/dbraw/zinc/28/48/87/192284887.db2.gz NTSGNGJIUYVMSZ-SUMWQHHRSA-N 0 0 309.369 2.499 10 30 DEEERN CC(=O)N1CCCN(C(=O)c2cc(C#N)cn2C)c2ccccc21 ZINC000081548831 192290005 /nfs/dbraw/zinc/29/00/05/192290005.db2.gz GKOGFIMGIPSOFR-UHFFFAOYSA-N 0 0 322.368 2.300 10 30 DEEERN C=CCOCCCNC(=O)c1cnn(-c2ccc(F)cc2)c1 ZINC000618516316 363513593 /nfs/dbraw/zinc/51/35/93/363513593.db2.gz MARSKWHKIBJVLY-UHFFFAOYSA-N 0 0 303.337 2.334 10 30 DEEERN C=CCOCCCNC(=O)Cc1c(C)nn(C(F)F)c1C ZINC000618522374 363514576 /nfs/dbraw/zinc/51/45/76/363514576.db2.gz FFYBXHDLROBTCQ-UHFFFAOYSA-N 0 0 301.337 2.146 10 30 DEEERN C=CCOCCCNC(=O)c1nc(N2CCCC2)ncc1Cl ZINC000618520414 363514719 /nfs/dbraw/zinc/51/47/19/363514719.db2.gz CYKDBAZDEJLGHV-UHFFFAOYSA-N 0 0 324.812 2.053 10 30 DEEERN C=CCOCCCNC(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000618525759 363516335 /nfs/dbraw/zinc/51/63/35/363516335.db2.gz HWVZGEVBQZMNME-UHFFFAOYSA-N 0 0 306.337 2.033 10 30 DEEERN C=CCOCCCNC(=O)C(C)(C)c1ccc2c(c1)OCO2 ZINC000618525573 363516386 /nfs/dbraw/zinc/51/63/86/363516386.db2.gz JRCGFIUKJGUHAG-UHFFFAOYSA-N 0 0 305.374 2.402 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCC1(S(C)(=O)=O)CCCCC1 ZINC000618485807 363506948 /nfs/dbraw/zinc/50/69/48/363506948.db2.gz RRQCDXKGPCZNAW-CYBMUJFWSA-N 0 0 301.452 2.452 10 30 DEEERN C=CCCOCCCCc1nc(-c2ccn(C)c(=O)c2)no1 ZINC000351266779 356645295 /nfs/dbraw/zinc/64/52/95/356645295.db2.gz SJYAHWXSKLUIHF-UHFFFAOYSA-N 0 0 303.362 2.351 10 30 DEEERN C=CCOCCNC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 ZINC000365013085 356666216 /nfs/dbraw/zinc/66/62/16/356666216.db2.gz BGNXDSSMFHKMAK-SFHVURJKSA-N 0 0 316.401 2.000 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC000578882085 356886556 /nfs/dbraw/zinc/88/65/56/356886556.db2.gz XHRNYRLCRRZMGF-LRDDRELGSA-N 0 0 300.358 2.497 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)c1ccc2c(c1)OCO2 ZINC000579223383 356940889 /nfs/dbraw/zinc/94/08/89/356940889.db2.gz ZQNAYAHUYQRBGU-XBFCOCLRSA-N 0 0 303.358 2.226 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CCCCC[C@@H]1C ZINC000581411739 357182146 /nfs/dbraw/zinc/18/21/46/357182146.db2.gz UCTFLZROSHAAMD-LBPRGKRZSA-N 0 0 315.425 2.337 10 30 DEEERN C=CCn1c(-c2ncccc2C)nnc1N(C)C[C@H]1CCOC1 ZINC000581955751 357274988 /nfs/dbraw/zinc/27/49/88/357274988.db2.gz ZRLMWUORGMZGFJ-CQSZACIVSA-N 0 0 313.405 2.307 10 30 DEEERN C=CCn1c(-c2ccccn2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000584807925 357312429 /nfs/dbraw/zinc/31/24/29/357312429.db2.gz UEWGJFWDVXCNFQ-OAHLLOKOSA-N 0 0 324.432 2.199 10 30 DEEERN C[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000585711239 357348045 /nfs/dbraw/zinc/34/80/45/357348045.db2.gz RTOLEFDNCYBSGV-RISCZKNCSA-N 0 0 317.364 2.008 10 30 DEEERN Cc1cccn2c1ncc(C(=O)N(C1CC1)C1(C#N)CCC1)c2=O ZINC000585747959 357351518 /nfs/dbraw/zinc/35/15/18/357351518.db2.gz DRUZNIGTASGNKO-UHFFFAOYSA-N 0 0 322.368 2.054 10 30 DEEERN C=CCCOCC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000588143471 357397112 /nfs/dbraw/zinc/39/71/12/357397112.db2.gz HWLKHIMOYJOTSF-HNNXBMFYSA-N 0 0 318.417 2.230 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc(-c3nnnn3C)cc2)C1 ZINC000626772386 540274523 /nfs/dbraw/zinc/27/45/23/540274523.db2.gz GSJWWDIDRNLZAZ-GFCCVEGCSA-N 0 0 312.377 2.307 10 30 DEEERN C=CCC1(C(=O)NCc2ccc([S@](C)=O)cc2)CCOCC1 ZINC000591770114 357758659 /nfs/dbraw/zinc/75/86/59/357758659.db2.gz BRJYPOCNVXHOIZ-QFIPXVFZSA-N 0 0 321.442 2.413 10 30 DEEERN C=CC[C@@H](C)NC(=O)c1cnn2cc(Br)cnc12 ZINC000179583105 199058258 /nfs/dbraw/zinc/05/82/58/199058258.db2.gz CLOAUGMYRYOROA-MRVPVSSYSA-N 0 0 309.167 2.186 10 30 DEEERN N#Cc1ccc(CN2CCN(C(=O)Cc3ccccc3)CC2)o1 ZINC000179979204 199102546 /nfs/dbraw/zinc/10/25/46/199102546.db2.gz JYKATJAZFYVDDQ-UHFFFAOYSA-N 0 0 309.369 2.038 10 30 DEEERN C=CCCOCCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593565672 358103666 /nfs/dbraw/zinc/10/36/66/358103666.db2.gz CCGZONVTSMYNMQ-UHFFFAOYSA-N 0 0 322.430 2.359 10 30 DEEERN C=C(C)CS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000593623330 358114013 /nfs/dbraw/zinc/11/40/13/358114013.db2.gz XZOKUFHEYLPLCU-VXGBXAGGSA-N 0 0 303.424 2.087 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 ZINC000185208039 199824945 /nfs/dbraw/zinc/82/49/45/199824945.db2.gz OITMUSAEOUJKCF-AWEZNQCLSA-N 0 0 319.405 2.192 10 30 DEEERN C=CCCn1cc(C[S@@](=O)Cc2ccc(C#N)cc2)nn1 ZINC000593939795 358175324 /nfs/dbraw/zinc/17/53/24/358175324.db2.gz KJYFHQACWHCVGK-NRFANRHFSA-N 0 0 300.387 2.175 10 30 DEEERN C=CCCn1cc(CSCc2nnn(C(C)(C)C)n2)nn1 ZINC000594565025 358294957 /nfs/dbraw/zinc/29/49/57/358294957.db2.gz BJEPBBRQULJPCO-UHFFFAOYSA-N 0 0 307.427 2.029 10 30 DEEERN C=CCOCCCNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000594851061 358348221 /nfs/dbraw/zinc/34/82/21/358348221.db2.gz WCHAAAOPYXIKAX-UHFFFAOYSA-N 0 0 314.794 2.083 10 30 DEEERN N#Cc1ccc(NC(=O)N2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000180986059 199236935 /nfs/dbraw/zinc/23/69/35/199236935.db2.gz XBHBTYWQGGWECA-AWEZNQCLSA-N 0 0 310.361 2.094 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc2c(c1)CCOC2 ZINC000618836147 363613370 /nfs/dbraw/zinc/61/33/70/363613370.db2.gz IXSBTRGMNGWUGH-INIZCTEOSA-N 0 0 302.374 2.169 10 30 DEEERN C=C(C)CN(CC)C(=O)CSC[C@H](OC)[C@H]1CCOC1 ZINC000596397987 358678992 /nfs/dbraw/zinc/67/89/92/358678992.db2.gz TVXKDRZVOWQEIT-KBPBESRZSA-N 0 0 301.452 2.196 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)SCc1nc(N(C)C)no1 ZINC000596412737 358681257 /nfs/dbraw/zinc/68/12/57/358681257.db2.gz VCECXVSAVUCAET-LLVKDONJSA-N 0 0 312.439 2.182 10 30 DEEERN C=CCOCCCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000596474119 358694589 /nfs/dbraw/zinc/69/45/89/358694589.db2.gz XSURPSTXOFBTJH-UHFFFAOYSA-N 0 0 319.361 2.492 10 30 DEEERN N#Cc1cc(Br)cnc1N1CC[C@@H]2COC[C@H]2C1 ZINC000596531809 358707276 /nfs/dbraw/zinc/70/72/76/358707276.db2.gz XJGOUSYDHGAMKZ-MWLCHTKSSA-N 0 0 308.179 2.188 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1csc(-n2c(C)ccc2C)n1 ZINC000185746221 199883227 /nfs/dbraw/zinc/88/32/27/199883227.db2.gz QPAIIAQKEIQTQQ-CYBMUJFWSA-N 0 0 319.430 2.146 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C(=O)OC)sc1C ZINC000597760356 359000398 /nfs/dbraw/zinc/00/03/98/359000398.db2.gz UIDNIMXTEWHCMQ-LBPRGKRZSA-N 0 0 324.402 2.253 10 30 DEEERN C=CCCOCC(=O)N1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@H]21 ZINC000598168325 359112758 /nfs/dbraw/zinc/11/27/58/359112758.db2.gz OERVQXOTEDPTLX-SOUVJXGZSA-N 0 0 309.406 2.159 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000185901253 199902197 /nfs/dbraw/zinc/90/21/97/199902197.db2.gz GCBLSFJJKHWJBT-GHMZBOCLSA-N 0 0 310.375 2.129 10 30 DEEERN C=C[C@](C)(O)CC(=O)NC[C@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000598581568 359249354 /nfs/dbraw/zinc/24/93/54/359249354.db2.gz RCMMLOGQMSTYAJ-GUYCJALGSA-N 0 0 311.422 2.188 10 30 DEEERN CN1CCOC[C@H]1CNc1ccc(Br)cc1C#N ZINC000599160403 359420181 /nfs/dbraw/zinc/42/01/81/359420181.db2.gz IBZJSTDIWSGWEV-GFCCVEGCSA-N 0 0 310.195 2.063 10 30 DEEERN C=CCCn1cc(CN2CC[C@H](C(=O)OC)[C@@H]3CCC[C@H]32)nn1 ZINC000599644779 359553699 /nfs/dbraw/zinc/55/36/99/359553699.db2.gz BUHRVTXGBVYIEQ-HRCADAONSA-N 0 0 318.421 2.018 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1sccc1C(=O)OC ZINC000599994065 359631085 /nfs/dbraw/zinc/63/10/85/359631085.db2.gz DACNLSBWAPQALD-UHFFFAOYSA-N 0 0 324.402 2.192 10 30 DEEERN CCO[C@@H]1C[C@@H](NC(=O)c2cccc(C#N)c2)C12CCOCC2 ZINC000187079963 200058619 /nfs/dbraw/zinc/05/86/19/200058619.db2.gz NCNAAZBUYCXRNV-HZPDHXFCSA-N 0 0 314.385 2.262 10 30 DEEERN CC#CCCCC(=O)N[C@H](Cc1cccc(OC)c1)C(=O)OC ZINC000600269893 359708148 /nfs/dbraw/zinc/70/81/48/359708148.db2.gz YPRPUEWNFCIKPL-MRXNPFEDSA-N 0 0 317.385 2.089 10 30 DEEERN CC[C@]1(C)CN(C(=O)NCCOc2ccc(C#N)cc2)CCO1 ZINC000188150664 200201157 /nfs/dbraw/zinc/20/11/57/200201157.db2.gz OIAASRSABMOHDM-QGZVFWFLSA-N 0 0 317.389 2.148 10 30 DEEERN C=CCSCCN1C(=O)N[C@@H](Cc2cccc(OC)c2)C1=O ZINC000600690691 359800700 /nfs/dbraw/zinc/80/07/00/359800700.db2.gz FVSXHCIBCFRIMJ-AWEZNQCLSA-N 0 0 320.414 2.077 10 30 DEEERN C=CCCCCCN(C)C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000188200275 200207926 /nfs/dbraw/zinc/20/79/26/200207926.db2.gz ILYDYQJMZMXCBF-UHFFFAOYSA-N 0 0 300.362 2.137 10 30 DEEERN C=CCOCCCC(=O)N1CC[C@H](C(=O)OC)[C@@H]2CCC[C@@H]21 ZINC000600546354 359766100 /nfs/dbraw/zinc/76/61/00/359766100.db2.gz BTDDUIQCOCKLDZ-KKUMJFAQSA-N 0 0 309.406 2.159 10 30 DEEERN C#CCCCCNC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000188377301 200236482 /nfs/dbraw/zinc/23/64/82/200236482.db2.gz WCJPIGALKQXWNI-QWHCGFSZSA-N 0 0 312.385 2.254 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000188448964 200248238 /nfs/dbraw/zinc/24/82/38/200248238.db2.gz ORAYQMWJFYGVKU-SUMWQHHRSA-N 0 0 320.437 2.061 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000627688721 366592872 /nfs/dbraw/zinc/59/28/72/366592872.db2.gz UKHIJGUUYRKFMV-UHFFFAOYSA-N 0 0 320.389 2.361 10 30 DEEERN N#CCC1(CNC(=O)c2ccc(-c3ccccn3)[nH]c2=O)CC1 ZINC000435955109 237705862 /nfs/dbraw/zinc/70/58/62/237705862.db2.gz FCDNEIXKIXDMFU-UHFFFAOYSA-N 0 0 308.341 2.273 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(OCCF)c2)C1 ZINC000627733674 366603622 /nfs/dbraw/zinc/60/36/22/366603622.db2.gz ACUCOTHAUUQDHH-CYBMUJFWSA-N 0 0 320.364 2.398 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cnc(CC(C)C)nc2)C1 ZINC000627732754 366603753 /nfs/dbraw/zinc/60/37/53/366603753.db2.gz BTPSLEWZKLFFQK-CYBMUJFWSA-N 0 0 316.405 2.038 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc(OC)ccc2F)C1 ZINC000627734520 366605005 /nfs/dbraw/zinc/60/50/05/366605005.db2.gz VLQJMFCBYQWTOP-NSHDSACASA-N 0 0 306.337 2.197 10 30 DEEERN C=C(C)C[C@H](NS(=O)(=O)c1ccc(CC)cc1)C(=O)OC ZINC000601502400 360055626 /nfs/dbraw/zinc/05/56/26/360055626.db2.gz PQPJCBBDKURWRK-AWEZNQCLSA-N 0 0 311.403 2.035 10 30 DEEERN C=C1CC(C)(C(=O)NCCc2nc(C(=O)OCC)cs2)C1 ZINC000601516435 360060595 /nfs/dbraw/zinc/06/05/95/360060595.db2.gz AKLIYLFFCUNQRS-UHFFFAOYSA-N 0 0 308.403 2.335 10 30 DEEERN C=C(C)C[C@H](NC(=O)COc1ccc(CC)cc1)C(=O)OC ZINC000601770185 360140518 /nfs/dbraw/zinc/14/05/18/360140518.db2.gz AYOBXCFQZVGPNS-HNNXBMFYSA-N 0 0 305.374 2.252 10 30 DEEERN C=C(C)C[C@@H](NC(=O)C[C@@H](C)n1nc(C)cc1C)C(=O)OC ZINC000601776480 360143830 /nfs/dbraw/zinc/14/38/30/360143830.db2.gz APXORUVDOJSOQT-ZIAGYGMSSA-N 0 0 307.394 2.075 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(OC(C)C)nc1)C(=O)OC ZINC000601779879 360144409 /nfs/dbraw/zinc/14/44/09/360144409.db2.gz VYOCAIQGCOKIRG-CYBMUJFWSA-N 0 0 306.362 2.106 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1oc2c(c1C)C(=O)CCC2)C(=O)OC ZINC000601779263 360144698 /nfs/dbraw/zinc/14/46/98/360144698.db2.gz SJIHXFUJONKTMF-NSHDSACASA-N 0 0 319.357 2.345 10 30 DEEERN C=C(C)C[C@@H](NC(=O)C[C@@H]1OCCc2ccccc21)C(=O)OC ZINC000601780966 360145453 /nfs/dbraw/zinc/14/54/53/360145453.db2.gz GGXOYGCYWKFUIB-CVEARBPZSA-N 0 0 317.385 2.315 10 30 DEEERN C=C(C)C[C@H](NC(=O)COC/C=C\c1ccccc1)C(=O)OC ZINC000601782665 360146668 /nfs/dbraw/zinc/14/66/68/360146668.db2.gz RLVBPEFIOWLPSF-BJIFSAINSA-N 0 0 317.385 2.340 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000601782925 360146777 /nfs/dbraw/zinc/14/67/77/360146777.db2.gz SVEJGVNXWRDNMT-AWEZNQCLSA-N 0 0 320.345 2.151 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCOCc1ccccc1)C(=O)OC ZINC000601785701 360148477 /nfs/dbraw/zinc/14/84/77/360148477.db2.gz NSINJHSIPZZFJL-OAHLLOKOSA-N 0 0 305.374 2.217 10 30 DEEERN C=C(C)C[C@@H](NC(=O)COC[C@H](C)c1ccccc1)C(=O)OC ZINC000601785226 360148687 /nfs/dbraw/zinc/14/86/87/360148687.db2.gz RBRPNYKLSUOPLZ-GOEBONIOSA-N 0 0 319.401 2.431 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cc1ccc2c(c1)CCCO2)C(=O)OC ZINC000601785763 360148986 /nfs/dbraw/zinc/14/89/86/360148986.db2.gz UYKKGKIJFMGCOX-HNNXBMFYSA-N 0 0 317.385 2.178 10 30 DEEERN C=C(C)C[C@@H](NC(=O)C[C@H](C)c1c(C)noc1C)C(=O)OC ZINC000601788490 360150536 /nfs/dbraw/zinc/15/05/36/360150536.db2.gz UVKZKFCDWHHCBP-GXFFZTMASA-N 0 0 308.378 2.409 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(NC(C)=O)ccc1C)C(=O)OC ZINC000601788347 360150545 /nfs/dbraw/zinc/15/05/45/360150545.db2.gz UFNKQSHHYVFWSX-OAHLLOKOSA-N 0 0 318.373 2.191 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cccc([C@H]2CCOC2)c1)C(=O)OC ZINC000601788184 360150552 /nfs/dbraw/zinc/15/05/52/360150552.db2.gz SHTSYTVSWOUQNU-HOTGVXAUSA-N 0 0 317.385 2.428 10 30 DEEERN C=C(C)C[C@H](NC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C)C(=O)OC ZINC000601788995 360151462 /nfs/dbraw/zinc/15/14/62/360151462.db2.gz ZKTZFYGPQYXGLP-RDBSUJKOSA-N 0 0 309.406 2.252 10 30 DEEERN C=CCCC(C)(C)CNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000601744086 360130436 /nfs/dbraw/zinc/13/04/36/360130436.db2.gz HLWXNPAFDRHFTJ-UHFFFAOYSA-N 0 0 313.401 2.397 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000602333145 360342648 /nfs/dbraw/zinc/34/26/48/360342648.db2.gz LSPPRBHDCUSODN-BARDWOONSA-N 0 0 324.421 2.093 10 30 DEEERN C=CCN(C(=O)c1conc1C)c1nc(C(=O)OCC)cs1 ZINC000602245864 360321483 /nfs/dbraw/zinc/32/14/83/360321483.db2.gz WHLLKKCKGLAVDF-UHFFFAOYSA-N 0 0 321.358 2.449 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](CC)CSC ZINC000602268108 360327462 /nfs/dbraw/zinc/32/74/62/360327462.db2.gz NQYIDDAQBRFHGT-GFCCVEGCSA-N 0 0 300.468 2.353 10 30 DEEERN C=C(C)C[C@H](NC1CCN(c2ccccn2)CC1)C(=O)OC ZINC000602733472 360524602 /nfs/dbraw/zinc/52/46/02/360524602.db2.gz IJZRHYARHYHRNB-HNNXBMFYSA-N 0 0 303.406 2.148 10 30 DEEERN C=C(C)[C@H](CO)n1cc(CC2(C(=O)OC)CCCCC2)nn1 ZINC000603238342 360761342 /nfs/dbraw/zinc/76/13/42/360761342.db2.gz VRNGGGFKAOUMPS-AWEZNQCLSA-N 0 0 307.394 2.054 10 30 DEEERN CCOC(=O)C1(N(C)C(=O)c2ccnc(C#N)c2)CCCCC1 ZINC000193563818 201075541 /nfs/dbraw/zinc/07/55/41/201075541.db2.gz IVQMHRNBIYPAFB-UHFFFAOYSA-N 0 0 315.373 2.291 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1cncc(N2CCOCC2)c1 ZINC000628314746 366806618 /nfs/dbraw/zinc/80/66/18/366806618.db2.gz LQLOBPWBADEEPQ-UHFFFAOYSA-N 0 0 303.406 2.250 10 30 DEEERN N#C[C@@H](NC(=O)c1ccnnc1)c1ccccc1Br ZINC000611186230 361543730 /nfs/dbraw/zinc/54/37/30/361543730.db2.gz QLXARPGMHPCAJP-GFCCVEGCSA-N 0 0 317.146 2.234 10 30 DEEERN C[C@H](NC(=O)NCc1ccc(C#N)cc1F)[C@H]1CCCOC1 ZINC000611545701 361626619 /nfs/dbraw/zinc/62/66/19/361626619.db2.gz LVUBEMWDFJZMCS-FZMZJTMJSA-N 0 0 305.353 2.312 10 30 DEEERN C=CCOCCNC(=O)Nc1cccc(CC(=O)OCC)c1 ZINC000611557222 361629478 /nfs/dbraw/zinc/62/94/78/361629478.db2.gz CVAJCRLKDWQQDQ-UHFFFAOYSA-N 0 0 306.362 2.116 10 30 DEEERN Cn1ncc(C(=O)N2CCC(C)(C#N)CC2)c1C(F)(F)F ZINC000611561232 361632578 /nfs/dbraw/zinc/63/25/78/361632578.db2.gz GHTFEPQQDISIHP-UHFFFAOYSA-N 0 0 300.284 2.205 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1(COC)CCC1 ZINC000611720153 361667020 /nfs/dbraw/zinc/66/70/20/361667020.db2.gz GQISWXZDFYRPHD-GJZGRUSLSA-N 0 0 322.449 2.170 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCC(O)(CC)CC ZINC000611674971 361655331 /nfs/dbraw/zinc/65/53/31/361655331.db2.gz VVAHNIFHYOEVMD-HUUCEWRRSA-N 0 0 324.465 2.295 10 30 DEEERN N#CCCCN1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000611673267 361655399 /nfs/dbraw/zinc/65/53/99/361655399.db2.gz RADKHDGGPBNFKH-HNNXBMFYSA-N 0 0 307.419 2.196 10 30 DEEERN C=CCCC1(CNC(=O)C(=O)NC[C@@H]2CC[C@@H](C)O2)CCCC1 ZINC000611950792 361711564 /nfs/dbraw/zinc/71/15/64/361711564.db2.gz XSBDQAMHDMIPHS-CABCVRRESA-N 0 0 322.449 2.313 10 30 DEEERN C=CCOCCCNC(=O)C(=O)N[C@H](C1CCC1)C1CCCC1 ZINC000612023196 361726539 /nfs/dbraw/zinc/72/65/39/361726539.db2.gz RLXNNUYSVSUNHC-INIZCTEOSA-N 0 0 322.449 2.170 10 30 DEEERN C[C@@H](C(=O)N1CC[C@@H](C)[C@@H]2CCCC[C@H]21)n1cnc(C#N)n1 ZINC000619586933 363835152 /nfs/dbraw/zinc/83/51/52/363835152.db2.gz UFSIXVNRIKDECA-ZOBORPQBSA-N 0 0 301.394 2.138 10 30 DEEERN CC(C)n1cc2cc(NC(=O)[C@H](C)n3cnc(C#N)n3)ccc2n1 ZINC000619593283 363836425 /nfs/dbraw/zinc/83/64/25/363836425.db2.gz CFDWTHDLUHORGP-NSHDSACASA-N 0 0 323.360 2.280 10 30 DEEERN N#Cc1cc(O)cc(C(=O)Nc2ccc(N3CCC3=O)cc2)c1 ZINC000619618172 363840874 /nfs/dbraw/zinc/84/08/74/363840874.db2.gz TWMISPRALFIZHP-UHFFFAOYSA-N 0 0 307.309 2.253 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(OCCOC)c1 ZINC000620303675 364012933 /nfs/dbraw/zinc/01/29/33/364012933.db2.gz ZWZSPUOKPMNXIH-GASCZTMLSA-N 0 0 302.374 2.430 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCc2ccccc2-n2ccnc21 ZINC000621174868 364291964 /nfs/dbraw/zinc/29/19/64/364291964.db2.gz DOTJGIXBYBIWGQ-RDTXWAMCSA-N 0 0 311.385 2.303 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CC4CC3(C)C4)cc2C1=O ZINC000621209384 364304888 /nfs/dbraw/zinc/30/48/88/364304888.db2.gz RXZCLGDPOHKVBZ-UHFFFAOYSA-N 0 0 310.353 2.093 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CCn2cc(Br)cn2)C1 ZINC000628487139 366865264 /nfs/dbraw/zinc/86/52/64/366865264.db2.gz YLJPETIQOJQXCB-LLVKDONJSA-N 0 0 312.211 2.460 10 30 DEEERN C=CCOc1ccc(CN2CCO[C@](C)(COC)C2)cc1OC ZINC000628496204 366867078 /nfs/dbraw/zinc/86/70/78/366867078.db2.gz LFPDKJRSVRFBBU-SFHVURJKSA-N 0 0 321.417 2.497 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2nnn(Cc3ccncc3)c2C)C1 ZINC000628492035 366866577 /nfs/dbraw/zinc/86/65/77/366866577.db2.gz MPEFKVWRAWZROF-CQSZACIVSA-N 0 0 311.389 2.068 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC000622801854 364800167 /nfs/dbraw/zinc/80/01/67/364800167.db2.gz KLTAMJWRFGBCOX-ZWKOTPCHSA-N 0 0 314.429 2.473 10 30 DEEERN CC(=O)c1cc(C#N)ccc1NC(=O)CC1(C#N)CCOCC1 ZINC000622880662 364819775 /nfs/dbraw/zinc/81/97/75/364819775.db2.gz BCPIOVZTBSRKPJ-UHFFFAOYSA-N 0 0 311.341 2.410 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Cc2ccccc2S(C)(=O)=O)C1 ZINC000628492617 366867207 /nfs/dbraw/zinc/86/72/07/366867207.db2.gz YEUYWYKHSZYXPE-ZDUSSCGKSA-N 0 0 307.415 2.057 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N[C@@H]1c2ccccc2CN(C)C1=O ZINC000623211752 364922832 /nfs/dbraw/zinc/92/28/32/364922832.db2.gz HFEQBTGBTLPZOW-UKRRQHHQSA-N 0 0 301.390 2.354 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)C1 ZINC000623771900 365169170 /nfs/dbraw/zinc/16/91/70/365169170.db2.gz JBLWOHBWKGWDFB-ZACQAIPSSA-N 0 0 321.465 2.237 10 30 DEEERN C=CCOCCNC(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000623871194 365205911 /nfs/dbraw/zinc/20/59/11/365205911.db2.gz XLUWMHGRORURSO-VHDGCEQUSA-N 0 0 306.793 2.480 10 30 DEEERN O=C(Nc1ccc(Cl)cc1F)c1ccncc1C#CCO ZINC000091458555 193058795 /nfs/dbraw/zinc/05/87/95/193058795.db2.gz JXQGOVYZDNNCMW-UHFFFAOYSA-N 0 0 304.708 2.470 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2ccc(NC(C)=O)nc2)C1 ZINC000623960418 365236564 /nfs/dbraw/zinc/23/65/64/365236564.db2.gz WLSMYEFPZUWVHJ-ZDUSSCGKSA-N 0 0 302.378 2.148 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCc1ccccc1S(C)(=O)=O ZINC000624206032 365332686 /nfs/dbraw/zinc/33/26/86/365332686.db2.gz YUKUJBVGDWBZKD-UHFFFAOYSA-N 0 0 324.446 2.492 10 30 DEEERN C=CCCCCCNC(=O)N[C@H]1CCO[C@H]1c1nc(C)no1 ZINC000624307707 365375703 /nfs/dbraw/zinc/37/57/03/365375703.db2.gz REQYFZJEWUYPLK-QWHCGFSZSA-N 0 0 308.382 2.254 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000624464026 365429867 /nfs/dbraw/zinc/42/98/67/365429867.db2.gz IYNFCWLYDNSPPD-UHFFFAOYSA-N 0 0 307.438 2.289 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NCc1cnc2cnc(Br)cn12 ZINC000092049985 193148604 /nfs/dbraw/zinc/14/86/04/193148604.db2.gz GDODKEMPNQHGSD-KOLCDFICSA-N 0 0 320.194 2.274 10 30 DEEERN C=CCn1cc(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)nn1 ZINC000628984659 367037371 /nfs/dbraw/zinc/03/73/71/367037371.db2.gz LWUWYMYHPYWDGR-BYCMXARLSA-N 0 0 314.776 2.186 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cccc(COCCOC)c2)C1=O ZINC000630502414 367693908 /nfs/dbraw/zinc/69/39/08/367693908.db2.gz ITTPKTLVWKPJCS-OAHLLOKOSA-N 0 0 318.373 2.241 10 30 DEEERN CC[C@H](C)N(CCOC)S(=O)(=O)c1ccc(CC#N)cc1 ZINC000092131764 193166832 /nfs/dbraw/zinc/16/68/32/193166832.db2.gz JRUPJSFIWBIDRP-ZDUSSCGKSA-N 0 0 310.419 2.188 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H](C)COc2cccc(F)c2)C1=O ZINC000630967881 367941736 /nfs/dbraw/zinc/94/17/36/367941736.db2.gz OEXPRNBMBYODOL-SMDDNHRTSA-N 0 0 306.337 2.480 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@H](C)Oc2ccc(OC)cc2)C1=O ZINC000630970474 367942388 /nfs/dbraw/zinc/94/23/88/367942388.db2.gz MXEPFLWSOZJVTB-SWLSCSKDSA-N 0 0 318.373 2.349 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccc(OC)cc2OC)C1=O ZINC000630969121 367942615 /nfs/dbraw/zinc/94/26/15/367942615.db2.gz YPZFCKSLXSZFAW-CYBMUJFWSA-N 0 0 304.346 2.090 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1=O ZINC000630980191 367948711 /nfs/dbraw/zinc/94/87/11/367948711.db2.gz ZHJSRCUWZCRSEU-XJFOESAGSA-N 0 0 304.390 2.221 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2CCN(c3ccc(F)cc3)C2)C1=O ZINC000630983331 367949322 /nfs/dbraw/zinc/94/93/22/367949322.db2.gz AFLQDUTYIGUMFH-GJZGRUSLSA-N 0 0 317.364 2.291 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H](OC)c2cccc(OC)c2)C1=O ZINC000630985877 367951931 /nfs/dbraw/zinc/95/19/31/367951931.db2.gz LLCALJRYBKROKT-GJZGRUSLSA-N 0 0 318.373 2.269 10 30 DEEERN Cc1occc1C(=O)NC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000093010103 193194023 /nfs/dbraw/zinc/19/40/23/193194023.db2.gz AQIXDOQCMSJOOD-UHFFFAOYSA-N 0 0 313.357 2.447 10 30 DEEERN Cc1cc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)ccn1 ZINC000452411049 244264096 /nfs/dbraw/zinc/26/40/96/244264096.db2.gz UBYQUDZVKJBUNF-KRWDZBQOSA-N 0 0 317.389 2.268 10 30 DEEERN N#Cc1ccc(CN2CCn3c(nnc3-c3ccccc3)C2)o1 ZINC000093842689 193316059 /nfs/dbraw/zinc/31/60/59/193316059.db2.gz HLJWDVWUAMRKEO-UHFFFAOYSA-N 0 0 305.341 2.426 10 30 DEEERN CCCO[C@H]1CCCN(C(=O)c2csc(C#CCO)c2)C1 ZINC000093974562 193332612 /nfs/dbraw/zinc/33/26/12/193332612.db2.gz GGJMOZWUQLPZTM-AWEZNQCLSA-N 0 0 307.415 2.123 10 30 DEEERN CC1(C)CC[C@@](C#N)([C@H]2CS(=O)(=O)c3ccccc32)C1=O ZINC000094314585 193359219 /nfs/dbraw/zinc/35/92/19/193359219.db2.gz UUTVXSYFTRPNOJ-BLLLJJGKSA-N 0 0 303.383 2.457 10 30 DEEERN Cc1c(F)cc(N)cc1S(=O)(=O)N(CCC#N)CC(C)C ZINC000094359961 193364976 /nfs/dbraw/zinc/36/49/76/193364976.db2.gz HIBNQCTXHIIGJX-UHFFFAOYSA-N 0 0 313.398 2.277 10 30 DEEERN CN(Cc1cccc(C#N)c1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094636460 193386719 /nfs/dbraw/zinc/38/67/19/193386719.db2.gz QCVPQJWXEWXGHJ-CVEARBPZSA-N 0 0 306.431 2.346 10 30 DEEERN COc1cc(C#N)ccc1O[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094636540 193386968 /nfs/dbraw/zinc/38/69/68/193386968.db2.gz UXEQVAMPHATYNJ-OLZOCXBDSA-N 0 0 309.387 2.301 10 30 DEEERN CC[C@@H]1CO[C@H](C)CN1C(=O)c1cc(C)c(C#CCO)s1 ZINC000094534225 193377126 /nfs/dbraw/zinc/37/71/26/193377126.db2.gz NBUSWFWLYSJVTK-CHWSQXEVSA-N 0 0 307.415 2.040 10 30 DEEERN Cc1cc(C(=O)NCCc2ccsc2)sc1C#CCO ZINC000094534476 193377166 /nfs/dbraw/zinc/37/71/66/193377166.db2.gz NWHHWQRMYCTBCE-UHFFFAOYSA-N 0 0 305.424 2.434 10 30 DEEERN CCO[C@H]1CCCN(C(=O)c2cc(C)c(C#CCO)s2)C1 ZINC000094534718 193377204 /nfs/dbraw/zinc/37/72/04/193377204.db2.gz ULPVSIVDYPJBCX-ZDUSSCGKSA-N 0 0 307.415 2.041 10 30 DEEERN CCN(CCC#N)C(=O)c1cc(C(F)(F)F)ccc1NN ZINC000094596570 193382589 /nfs/dbraw/zinc/38/25/89/193382589.db2.gz BHJKQOATFKQSRY-UHFFFAOYSA-N 0 0 300.284 2.367 10 30 DEEERN Cc1cscc1CNC(=O)c1cc(C#CCO)ccc1F ZINC000094883550 193405065 /nfs/dbraw/zinc/40/50/65/193405065.db2.gz GMFRTIAVCVRZPW-UHFFFAOYSA-N 0 0 303.358 2.469 10 30 DEEERN Cc1cccc(C(=O)NCC#Cc2ccc(C(=O)N(C)C)cc2)c1 ZINC000096348278 193615059 /nfs/dbraw/zinc/61/50/59/193615059.db2.gz OMRICDLZYLFPSI-UHFFFAOYSA-N 0 0 320.392 2.478 10 30 DEEERN CN(C)C(=O)c1ccc(C#CCNC(=O)CC2CCCC2)cc1 ZINC000096348268 193615208 /nfs/dbraw/zinc/61/52/08/193615208.db2.gz DQZJWLMAVQUROD-UHFFFAOYSA-N 0 0 312.413 2.436 10 30 DEEERN CC(C)(C)OC(=O)NCC#Cc1ccc(N2CCNC2=O)cc1 ZINC000096351185 193615392 /nfs/dbraw/zinc/61/53/92/193615392.db2.gz NSCNFAPVNPYYEN-UHFFFAOYSA-N 0 0 315.373 2.092 10 30 DEEERN COc1ccccc1C#CCNS(=O)(=O)Cc1ccccc1 ZINC000096351844 193615758 /nfs/dbraw/zinc/61/57/58/193615758.db2.gz WKLGMESBHNPZMK-UHFFFAOYSA-N 0 0 315.394 2.166 10 30 DEEERN C=C[C@@H](C)NC(=O)C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000453678484 245252160 /nfs/dbraw/zinc/25/21/60/245252160.db2.gz QWNKRFFFAZUZQR-LLVKDONJSA-N 0 0 304.394 2.097 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NCC[C@@H](C)CCO ZINC000453788560 245295836 /nfs/dbraw/zinc/29/58/36/245295836.db2.gz KITQIRXNRINPES-CQSZACIVSA-N 0 0 318.417 2.269 10 30 DEEERN CCN(C(=O)c1ccc(C#N)cc1C)[C@@H](C)CS(=O)(=O)CC ZINC000122913220 284254778 /nfs/dbraw/zinc/25/47/78/284254778.db2.gz IJRSZSDFTDOINW-ZDUSSCGKSA-N 0 0 322.430 2.152 10 30 DEEERN C=CCN(CC=C)C(=O)CCN1c2cc(C)ccc2OCC1=O ZINC000096571683 193680905 /nfs/dbraw/zinc/68/09/05/193680905.db2.gz IYTFGUCMCXYHKZ-UHFFFAOYSA-N 0 0 314.385 2.311 10 30 DEEERN C=C(C)CCNC(=O)N[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000454418528 245746679 /nfs/dbraw/zinc/74/66/79/245746679.db2.gz AJUULQZQBUAAQZ-ZDUSSCGKSA-N 0 0 317.389 2.066 10 30 DEEERN C=CCN(CCO)C(=O)Cc1csc(-c2cccs2)n1 ZINC000160889331 197447813 /nfs/dbraw/zinc/44/78/13/197447813.db2.gz ZYRXJUUDNAAEPG-UHFFFAOYSA-N 0 0 308.428 2.421 10 30 DEEERN N#Cc1ccc(CS(=O)(=O)N(CC(F)F)C2CC2)cc1 ZINC000288508061 220188737 /nfs/dbraw/zinc/18/87/37/220188737.db2.gz ZZTUGSLOKFFUPM-UHFFFAOYSA-N 0 0 300.330 2.118 10 30 DEEERN N#Cc1cc(Br)ccc1OCCN1CCOCC1 ZINC000019832622 182154676 /nfs/dbraw/zinc/15/46/76/182154676.db2.gz BHZNQWILIUETTR-UHFFFAOYSA-N 0 0 311.179 2.032 10 30 DEEERN CC(CN=C1NC(=NC[C@@H]2CCCO2)S1)=Nc1cc(C)on1 ZINC000020353784 182210455 /nfs/dbraw/zinc/21/04/55/182210455.db2.gz QHYPPJXFIHCHQB-DVBBHNHCSA-N 0 0 321.406 2.484 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000455655092 246730212 /nfs/dbraw/zinc/73/02/12/246730212.db2.gz JLIFEBKGWOHDCJ-BDAKNGLRSA-N 0 0 323.340 2.373 10 30 DEEERN COc1cc(C#N)ccc1N[C@@H](C)C(=O)NCC(F)(F)F ZINC000159855602 197368723 /nfs/dbraw/zinc/36/87/23/197368723.db2.gz UNPBAXGEFFWAHU-QMMMGPOBSA-N 0 0 301.268 2.046 10 30 DEEERN C=CCC[C@H](NC(=O)c1ccc(OC(C)C)cn1)C(=O)OCC ZINC000456598740 247299374 /nfs/dbraw/zinc/29/93/74/247299374.db2.gz BPPCWGGLVJJIBB-HNNXBMFYSA-N 0 0 320.389 2.497 10 30 DEEERN C=CCC[C@H](NC(=O)c1sc2nccn2c1C)C(=O)OCC ZINC000456623686 247318237 /nfs/dbraw/zinc/31/82/37/247318237.db2.gz HIEQLKMUVDSCIA-NSHDSACASA-N 0 0 321.402 2.332 10 30 DEEERN CC(C)(CC#N)CNC(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000458376024 248282000 /nfs/dbraw/zinc/28/20/00/248282000.db2.gz UNUGDBYMFLSJSY-CQSZACIVSA-N 0 0 314.389 2.031 10 30 DEEERN C=CCCOCCNC(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000458597676 248390654 /nfs/dbraw/zinc/39/06/54/248390654.db2.gz PQHOTNFVZGTDQD-UHFFFAOYSA-N 0 0 310.438 2.306 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000458609667 248398080 /nfs/dbraw/zinc/39/80/80/248398080.db2.gz CASPHCMJXNLYPN-RYUDHWBXSA-N 0 0 307.350 2.282 10 30 DEEERN Cn1cc([C@@H](NC(=O)c2sccc2C#N)C(F)(F)F)cn1 ZINC000487747078 248769728 /nfs/dbraw/zinc/76/97/28/248769728.db2.gz FIKJUIZPKFNUAX-SNVBAGLBSA-N 0 0 314.292 2.387 10 30 DEEERN N#C[C@H](c1ccccc1F)N1CCN(C(=O)c2cccnc2)CC1 ZINC000041257787 183181599 /nfs/dbraw/zinc/18/15/99/183181599.db2.gz FQXHBVWIIBUMCD-QGZVFWFLSA-N 0 0 324.359 2.243 10 30 DEEERN C[C@H](CN(C)Cc1ccc(Br)cc1F)/C(N)=N/O ZINC000042458317 183273089 /nfs/dbraw/zinc/27/30/89/183273089.db2.gz DLXVLXKDCPOGTK-MRVPVSSYSA-N 0 0 318.190 2.403 10 30 DEEERN O=C(c1ccc(C#CCO)s1)N(CC(F)(F)F)C1CC1 ZINC000042797665 183310369 /nfs/dbraw/zinc/31/03/69/183310369.db2.gz FWMXXTOKCNIYPS-UHFFFAOYSA-N 0 0 303.305 2.259 10 30 DEEERN O=C(NCCc1ccsc1)c1ccc(C#CCO)c(F)c1 ZINC000043582309 183373471 /nfs/dbraw/zinc/37/34/71/183373471.db2.gz QJDBCOFRQHRJMN-UHFFFAOYSA-N 0 0 303.358 2.204 10 30 DEEERN CN(c1cccnn1)C1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000105815897 194136551 /nfs/dbraw/zinc/13/65/51/194136551.db2.gz HFEISSOFZIZXCD-UHFFFAOYSA-N 0 0 321.384 2.089 10 30 DEEERN Cn1cc([C@]2(C)CN(c3ccc(F)cc3C#N)CCO2)cn1 ZINC000268425171 206704664 /nfs/dbraw/zinc/70/46/64/206704664.db2.gz YPEWZHXUHBEIIE-INIZCTEOSA-N 0 0 300.337 2.183 10 30 DEEERN O=C(CC(F)(F)F)NCc1cc(C#CCCO)ccc1F ZINC000049589605 183744676 /nfs/dbraw/zinc/74/46/76/183744676.db2.gz NLZARXITUVVLLS-UHFFFAOYSA-N 0 0 303.255 2.128 10 30 DEEERN C[C@@H](CC#N)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000050392142 183784554 /nfs/dbraw/zinc/78/45/54/183784554.db2.gz UIRIGRWNDMZBFH-ZETCQYMHSA-N 0 0 312.123 2.389 10 30 DEEERN C#CCN[C@@](CC)(C(=O)OC)c1ccc(Br)cc1 ZINC000051964440 183843842 /nfs/dbraw/zinc/84/38/42/183843842.db2.gz MMCGHCSWCLCELD-CQSZACIVSA-N 0 0 310.191 2.450 10 30 DEEERN CCC(CC)[C@@H](C)NS(=O)(=O)c1ccc(C#CCO)cc1 ZINC000111674195 194414280 /nfs/dbraw/zinc/41/42/80/194414280.db2.gz QIJFOTZXRAQHPG-CYBMUJFWSA-N 0 0 309.431 2.133 10 30 DEEERN C#CCOC[C@@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 ZINC000056922861 184021779 /nfs/dbraw/zinc/02/17/79/184021779.db2.gz JQMUUYRWXUTKJL-OAHLLOKOSA-N 0 0 300.402 2.255 10 30 DEEERN CC(C)S(=O)(=O)Nc1cc(C#CCCO)ccc1Cl ZINC000061691852 184182788 /nfs/dbraw/zinc/18/27/88/184182788.db2.gz XMYDXDZGEVYDLX-UHFFFAOYSA-N 0 0 301.795 2.224 10 30 DEEERN O=C(Nc1cc(C#CCCO)ccc1Cl)[C@@H]1CCCOC1 ZINC000061691784 184183075 /nfs/dbraw/zinc/18/30/75/184183075.db2.gz JFGXTWRWTHOONM-CYBMUJFWSA-N 0 0 307.777 2.439 10 30 DEEERN N#C[C@H]1CCC[C@@H]1N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000061891857 184193259 /nfs/dbraw/zinc/19/32/59/184193259.db2.gz RVICGFLTUFDDFB-SWHYSGLUSA-N 0 0 308.378 2.326 10 30 DEEERN N#Cc1cccc(C(=O)N2CCc3cc4c(cc3C2)OCO4)c1 ZINC000062177651 184212068 /nfs/dbraw/zinc/21/20/68/184212068.db2.gz KLIJVNFUQPSJJY-UHFFFAOYSA-N 0 0 306.321 2.485 10 30 DEEERN C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000062189481 184217676 /nfs/dbraw/zinc/21/76/76/184217676.db2.gz ABCAVZCDOLNHMA-ZDUSSCGKSA-N 0 0 300.383 2.468 10 30 DEEERN O=C(NCCC(F)(F)F)c1ccc(C#CCCO)cc1F ZINC000063102085 184271057 /nfs/dbraw/zinc/27/10/57/184271057.db2.gz ZVCXUFBOLGVIEF-UHFFFAOYSA-N 0 0 303.255 2.242 10 30 DEEERN C=CCN(CC=C)CC(=O)Nc1ccc(C(=O)NCCC)cc1 ZINC000066215827 184396868 /nfs/dbraw/zinc/39/68/68/184396868.db2.gz JPRMUPOLIKNQRX-UHFFFAOYSA-N 0 0 315.417 2.439 10 30 DEEERN C=CCN(CC=C)CC(=O)Nc1ccc(OCCOC)cc1 ZINC000066215752 184397067 /nfs/dbraw/zinc/39/70/67/184397067.db2.gz GRNXYVCKBONGQN-UHFFFAOYSA-N 0 0 304.390 2.324 10 30 DEEERN CC1(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)COC1 ZINC000112737824 194515337 /nfs/dbraw/zinc/51/53/37/194515337.db2.gz SBFPOLQBMNUFPO-UHFFFAOYSA-N 0 0 311.288 2.318 10 30 DEEERN C=C(Br)CNS(=O)(=O)c1cc(F)ccc1C ZINC000161415173 197493640 /nfs/dbraw/zinc/49/36/40/197493640.db2.gz FVRGVTIXYTWVLW-UHFFFAOYSA-N 0 0 308.172 2.321 10 30 DEEERN C[C@]1(C(=O)N[C@@H](C#N)C2CC2)CCCN1C(=O)c1ccccc1 ZINC000161833924 197522099 /nfs/dbraw/zinc/52/20/99/197522099.db2.gz XOQZBCQLXKAKMG-MAUKXSAKSA-N 0 0 311.385 2.100 10 30 DEEERN C[C@H](C(=O)N[C@H](c1cccs1)C1CC1)n1cnc(C#N)n1 ZINC000538419136 285034765 /nfs/dbraw/zinc/03/47/65/285034765.db2.gz DAEQYWHOASAWHY-RNCFNFMXSA-N 0 0 301.375 2.040 10 30 DEEERN Cn1ccnc1C[C@@H]1CCCN(C(=O)C2(C#N)CCCC2)C1 ZINC000120106432 195098359 /nfs/dbraw/zinc/09/83/59/195098359.db2.gz CHQNNUPZYAFOBI-AWEZNQCLSA-N 0 0 300.406 2.285 10 30 DEEERN C[C@@H](C(=O)N(C)[C@@H]1CCCc2ccccc21)n1cnc(C#N)n1 ZINC000539504742 285079005 /nfs/dbraw/zinc/07/90/05/285079005.db2.gz PWJKBXJGJHQWHE-SWLSCSKDSA-N 0 0 309.373 2.247 10 30 DEEERN COc1ccc(S(=O)(=O)N2CCC(C)(C#N)CC2)c(F)c1 ZINC000359984395 533043979 /nfs/dbraw/zinc/04/39/79/533043979.db2.gz AUXOQMJYGQQRRE-UHFFFAOYSA-N 0 0 312.366 2.149 10 30 DEEERN C=CCNC(=O)N1C[C@H](C(=O)OC)C[C@H](c2ccccc2)C1 ZINC000158872906 197307690 /nfs/dbraw/zinc/30/76/90/197307690.db2.gz LPIWOQRYBQGMOB-LSDHHAIUSA-N 0 0 302.374 2.161 10 30 DEEERN COc1cc(S(=O)(=O)N(CC#N)C2CCCC2)ccc1F ZINC000190680506 533097864 /nfs/dbraw/zinc/09/78/64/533097864.db2.gz ZBXNTJAOLDBOQC-UHFFFAOYSA-N 0 0 312.366 2.291 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(F)c(C#N)c3)[C@@H]2C1 ZINC000158440630 197272128 /nfs/dbraw/zinc/27/21/28/197272128.db2.gz PIQJOMDTSOZGFG-OIISXLGYSA-N 0 0 304.365 2.466 10 30 DEEERN C[C@@H](NC(=O)[C@H]1CCCO1)c1ncc(Br)cn1 ZINC000329095000 533104744 /nfs/dbraw/zinc/10/47/44/533104744.db2.gz BEOSSIYFELYSBG-VXNVDRBHSA-N 0 0 300.156 2.436 10 30 DEEERN COc1cc(C#N)ccc1CNc1cc(-n2cnnn2)ccc1F ZINC000158067407 197240393 /nfs/dbraw/zinc/24/03/93/197240393.db2.gz AFEWQTFPVCMHRV-UHFFFAOYSA-N 0 0 324.319 2.294 10 30 DEEERN CC(C)(C)c1ccc([C@H](O)[C@@]2(C#N)CCS(=O)(=O)C2)s1 ZINC000157665128 197206189 /nfs/dbraw/zinc/20/61/89/197206189.db2.gz UCMJDLXUCYPWNT-GXTWGEPZSA-N 0 0 313.444 2.407 10 30 DEEERN N#C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCS(=O)(=O)C1 ZINC000157588825 197199996 /nfs/dbraw/zinc/19/99/96/197199996.db2.gz CMQLYBXGTIFNAA-LBPRGKRZSA-N 0 0 319.304 2.456 10 30 DEEERN N#C[C@@]1([C@@H](O)c2cccc(C(F)(F)F)c2)CCS(=O)(=O)C1 ZINC000157645755 197204863 /nfs/dbraw/zinc/20/48/63/197204863.db2.gz KQLCEOKMEBRNAU-RYUDHWBXSA-N 0 0 319.304 2.067 10 30 DEEERN CSC[C@H]1CCCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156866825 197146974 /nfs/dbraw/zinc/14/69/74/197146974.db2.gz CBIBVDMPXVWIFU-CQSZACIVSA-N 0 0 324.471 2.159 10 30 DEEERN Cc1c(C#CCCO)cccc1C(=O)NC[C@H]1CCCS1 ZINC000155933027 197076150 /nfs/dbraw/zinc/07/61/50/197076150.db2.gz RGQBLDCFRNBWNJ-OAHLLOKOSA-N 0 0 303.427 2.354 10 30 DEEERN C=CC1CCN(C(=O)c2cccc(C(=O)N3CCCC3)n2)CC1 ZINC000155310633 197042001 /nfs/dbraw/zinc/04/20/01/197042001.db2.gz KGZGURSFDCWFQO-UHFFFAOYSA-N 0 0 313.401 2.356 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000120364168 195152812 /nfs/dbraw/zinc/15/28/12/195152812.db2.gz UGWPTTCCEWCJGW-AWEZNQCLSA-N 0 0 315.291 2.391 10 30 DEEERN C=CCO[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)Cc1ccccc1 ZINC000253371801 257106211 /nfs/dbraw/zinc/10/62/11/257106211.db2.gz CJZBVWQPZRVEHL-JFIYKMOQSA-N 0 0 301.386 2.190 10 30 DEEERN C[C@@]1(CNC(=O)c2ccccc2C#CCCO)CCCS1 ZINC000124570492 195655975 /nfs/dbraw/zinc/65/59/75/195655975.db2.gz MCWLOVNZJNPGIU-KRWDZBQOSA-N 0 0 303.427 2.436 10 30 DEEERN C=CCCO[C@H](C)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000125275561 195731522 /nfs/dbraw/zinc/73/15/22/195731522.db2.gz QXGJMFSIFCRWGC-RBSFLKMASA-N 0 0 313.463 2.481 10 30 DEEERN N#Cc1ccccc1N1CCC[C@H](Nc2ccncc2C#N)C1 ZINC000368416239 133272445 /nfs/dbraw/zinc/27/24/45/133272445.db2.gz IQWLSZREYSDWLW-INIZCTEOSA-N 0 0 303.369 2.328 10 30 DEEERN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[C@H]3C)C2)n1 ZINC000377900083 133350335 /nfs/dbraw/zinc/35/03/35/133350335.db2.gz GHWISZFYRQZXTE-GDBMZVCRSA-N 0 0 312.417 2.489 10 30 DEEERN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCCC12CCC2 ZINC000373178221 133380424 /nfs/dbraw/zinc/38/04/24/133380424.db2.gz GZUGQOXGCQMLGK-UHFFFAOYSA-N 0 0 301.321 2.181 10 30 DEEERN N#CCN(CC#N)C(=O)C1CCN(c2cccc(Cl)c2)CC1 ZINC000010343228 134495685 /nfs/dbraw/zinc/49/56/85/134495685.db2.gz MTKQJXVMZDFXDR-UHFFFAOYSA-N 0 0 316.792 2.432 10 30 DEEERN CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2ccncc2C#N)C1 ZINC000547825115 285645845 /nfs/dbraw/zinc/64/58/45/285645845.db2.gz AGYCUDRDSMBEPC-KGLIPLIRSA-N 0 0 300.406 2.474 10 30 DEEERN Cc1ccc(CCNC(=O)c2c[nH]nc2[C@@H]2CCOC2)cn1 ZINC000328620585 292092502 /nfs/dbraw/zinc/09/25/02/292092502.db2.gz HBFCTBOYHXJQHT-CYBMUJFWSA-N 0 0 300.362 2.164 10 30 DEEERN C[C@@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CCS1 ZINC000173796849 144849916 /nfs/dbraw/zinc/84/99/16/144849916.db2.gz RRQOGFFLDPZYNK-GFCCVEGCSA-N 0 0 305.403 2.084 10 30 DEEERN CC(C)C[C@H](CO)N(C)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000184630476 144947184 /nfs/dbraw/zinc/94/71/84/144947184.db2.gz IAGBLUHQADBRAH-UKRRQHHQSA-N 0 0 304.390 2.191 10 30 DEEERN Cc1nc(C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)ccc1C#N ZINC000188827747 145018038 /nfs/dbraw/zinc/01/80/38/145018038.db2.gz BDGFZJDNHKQTNP-LBPRGKRZSA-N 0 0 324.388 2.194 10 30 DEEERN CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000189006894 145020985 /nfs/dbraw/zinc/02/09/85/145020985.db2.gz CKZHGSNEPBXUPF-OAHLLOKOSA-N 0 0 301.390 2.114 10 30 DEEERN Cc1ccn(C)c1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000190756164 145047868 /nfs/dbraw/zinc/04/78/68/145047868.db2.gz GIRNCSCBUIISJM-UHFFFAOYSA-N 0 0 306.329 2.038 10 30 DEEERN CN(C)c1nc(C[S@](=O)Cc2ccc(C#N)c(F)c2)ns1 ZINC000190847238 145048700 /nfs/dbraw/zinc/04/87/00/145048700.db2.gz MZBJWSGYCJVOJN-OAQYLSRUSA-N 0 0 324.406 2.064 10 30 DEEERN COC(=O)CCN(C(=O)c1ccnc(C#N)c1)c1ccccc1C ZINC000193743410 145089821 /nfs/dbraw/zinc/08/98/21/145089821.db2.gz ZLZPSRDRRXOKJC-UHFFFAOYSA-N 0 0 323.352 2.472 10 30 DEEERN N#Cc1cccc(OCCCCC(=O)NC[C@H](CO)C2CC2)c1 ZINC000358298579 147109419 /nfs/dbraw/zinc/10/94/19/147109419.db2.gz GAYIHJINDVBPDA-MRXNPFEDSA-N 0 0 316.401 2.242 10 30 DEEERN Cc1cnc2c(c1)N(C(=O)[C@H](C)Oc1ccccc1C#N)CCO2 ZINC000127257723 401726400 /nfs/dbraw/zinc/72/64/00/401726400.db2.gz OLZABDIKXLODNT-ZDUSSCGKSA-N 0 0 323.352 2.455 10 30 DEEERN C=CCn1nnnc1Sc1cc(C)nc(-c2ccncc2)n1 ZINC000112076269 401730129 /nfs/dbraw/zinc/73/01/29/401730129.db2.gz VARHUDFAKKVYSD-UHFFFAOYSA-N 0 0 311.374 2.171 10 30 DEEERN Cn1cc(-c2ncc(C(=O)Nc3ccc(C#N)cn3)s2)cn1 ZINC000112176065 401732593 /nfs/dbraw/zinc/73/25/93/401732593.db2.gz VUCLZGUVOBPCPO-UHFFFAOYSA-N 0 0 310.342 2.063 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)N[C@H](C)Cn1cncn1 ZINC000112214922 401733729 /nfs/dbraw/zinc/73/37/29/401733729.db2.gz BRFLPFKIQKZKOM-CQSZACIVSA-N 0 0 305.426 2.445 10 30 DEEERN CCn1c(Sc2cnc(C#N)cn2)nnc1-c1cccnc1 ZINC000127469958 401736567 /nfs/dbraw/zinc/73/65/67/401736567.db2.gz IINBUXXTCWZZOR-UHFFFAOYSA-N 0 0 309.358 2.173 10 30 DEEERN CCN(C[C@@H]1CCCO1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000074736549 401744221 /nfs/dbraw/zinc/74/42/21/401744221.db2.gz BHGCJURUFTYZTR-INIZCTEOSA-N 0 0 317.389 2.148 10 30 DEEERN CCC[C@@H](CCO)CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000074736844 401744362 /nfs/dbraw/zinc/74/43/62/401744362.db2.gz SMIMYDHPRQYTMU-HNNXBMFYSA-N 0 0 319.405 2.035 10 30 DEEERN COc1cc(C)cc(S(=O)(=O)c2cccc(N)c2C#N)c1 ZINC000000020473 401687397 /nfs/dbraw/zinc/68/73/97/401687397.db2.gz ZHCKHDSIOBSCSP-UHFFFAOYSA-N 0 0 302.355 2.290 10 30 DEEERN C=CCC(CC=C)C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000126332616 401689814 /nfs/dbraw/zinc/68/98/14/401689814.db2.gz KYMKJWGHOKYTJX-HNNXBMFYSA-N 0 0 318.392 2.354 10 30 DEEERN O=[N+]([O-])c1ccc(/C=N/NC(=S)N[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1 ZINC000001045580 401703825 /nfs/dbraw/zinc/70/38/25/401703825.db2.gz NGSNIKMIAFFSKP-WGXSVQFDSA-N 0 0 316.386 2.357 10 30 DEEERN N#Cc1cnc(N[C@@H]2CCN(c3c(F)cccc3F)C2)cn1 ZINC000126852082 401710792 /nfs/dbraw/zinc/71/07/92/401710792.db2.gz XWLPQNOGGFVNOI-SNVBAGLBSA-N 0 0 301.300 2.317 10 30 DEEERN C[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)CCCC#N ZINC000111338505 401711967 /nfs/dbraw/zinc/71/19/67/401711967.db2.gz ZRMWPAAWPXLDKU-ZFWWWQNUSA-N 0 0 308.403 2.082 10 30 DEEERN C=CCCCN(C)C(=O)NCCOc1ccc2c(c1)OCO2 ZINC000076952379 401801419 /nfs/dbraw/zinc/80/14/19/401801419.db2.gz DDFIXQWYDPDKJF-UHFFFAOYSA-N 0 0 306.362 2.402 10 30 DEEERN C=CCCCN(C)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000076951380 401801635 /nfs/dbraw/zinc/80/16/35/401801635.db2.gz HGVZTVAFSRSOBO-UHFFFAOYSA-N 0 0 303.406 2.253 10 30 DEEERN CCCCCNC(=O)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000129284172 401802064 /nfs/dbraw/zinc/80/20/64/401802064.db2.gz ACNTXFZCJBQSCR-UHFFFAOYSA-N 0 0 311.389 2.432 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccc(C#N)cc3C)[C@@H]2C1 ZINC000127858522 401752667 /nfs/dbraw/zinc/75/26/67/401752667.db2.gz NVZJCVVMVYWIOO-DJIMGWMZSA-N 0 0 314.385 2.275 10 30 DEEERN C=CCC(=O)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 ZINC000012714156 401790104 /nfs/dbraw/zinc/79/01/04/401790104.db2.gz IIVUICHMCAMBFZ-OAHLLOKOSA-N 0 0 300.406 2.118 10 30 DEEERN C#CCSCCNC(=O)[C@H](CCC)NC(=O)OC(C)(C)C ZINC000130410123 401830884 /nfs/dbraw/zinc/83/08/84/401830884.db2.gz OOLYGHXYUUVUOR-LBPRGKRZSA-N 0 0 314.451 2.162 10 30 DEEERN C[C@H]1CC[C@H](CCC(=O)N2CC(Oc3ccc(C#N)cc3)C2)O1 ZINC000130517590 401834457 /nfs/dbraw/zinc/83/44/57/401834457.db2.gz IHPBVOHBYDHXPK-DZGCQCFKSA-N 0 0 314.385 2.496 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(NC(C)=O)c1C ZINC000077862361 401835509 /nfs/dbraw/zinc/83/55/09/401835509.db2.gz JZXWRNNJSPFJDF-UHFFFAOYSA-N 0 0 317.389 2.317 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000077862529 401835622 /nfs/dbraw/zinc/83/56/22/401835622.db2.gz HIEXCYZTCOWKAA-UHFFFAOYSA-N 0 0 316.405 2.045 10 30 DEEERN COc1ccc(CC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000130573797 401835599 /nfs/dbraw/zinc/83/55/99/401835599.db2.gz XZWMFFTVQWRKFJ-UHFFFAOYSA-N 0 0 322.364 2.399 10 30 DEEERN C=CCNC(=O)NC(=O)[C@H](C)Sc1ccc(F)c(F)c1 ZINC000026650001 401841801 /nfs/dbraw/zinc/84/18/01/401841801.db2.gz QBSSERNUHKESSP-QMMMGPOBSA-N 0 0 300.330 2.457 10 30 DEEERN N#Cc1cccnc1N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000027546218 401845892 /nfs/dbraw/zinc/84/58/92/401845892.db2.gz QYBBTVKAUKUJIC-UHFFFAOYSA-N 0 0 313.405 2.118 10 30 DEEERN Cn1cc(N2CCC[C@@H](Nc3ccc(Cl)c(C#N)n3)C2)cn1 ZINC000078368006 401848593 /nfs/dbraw/zinc/84/85/93/401848593.db2.gz CGLKZJKSEHFRET-LLVKDONJSA-N 0 0 316.796 2.421 10 30 DEEERN C=CCNC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000118051920 401890208 /nfs/dbraw/zinc/89/02/08/401890208.db2.gz CRSHKXTWWORWDO-CQSZACIVSA-N 0 0 317.389 2.302 10 30 DEEERN CCOC[C@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000081427822 401895371 /nfs/dbraw/zinc/89/53/71/401895371.db2.gz AQSQIXXGJGWANC-KGLIPLIRSA-N 0 0 302.374 2.211 10 30 DEEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc(C#N)cn1C ZINC000081535256 401896607 /nfs/dbraw/zinc/89/66/07/401896607.db2.gz NTSGNGJIUYVMSZ-CXAGYDPISA-N 0 0 309.369 2.499 10 30 DEEERN C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)C1CCOCC1 ZINC000134784461 401914162 /nfs/dbraw/zinc/91/41/62/401914162.db2.gz NUPSKIBGORPQJW-ZDUSSCGKSA-N 0 0 317.389 2.051 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000134787793 401914317 /nfs/dbraw/zinc/91/43/17/401914317.db2.gz VPDUNTMOAWXCIS-QWHCGFSZSA-N 0 0 323.824 2.411 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000134787817 401914581 /nfs/dbraw/zinc/91/45/81/401914581.db2.gz VPDUNTMOAWXCIS-CHWSQXEVSA-N 0 0 323.824 2.411 10 30 DEEERN C=C(C)CN(CC)C(=O)CNc1ccc(C)c(S(C)(=O)=O)c1 ZINC000134912044 401919514 /nfs/dbraw/zinc/91/95/14/401919514.db2.gz JVQWXVLNTHGVLH-UHFFFAOYSA-N 0 0 324.446 2.235 10 30 DEEERN C=CCNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1C[C@@H]1C ZINC000045479949 401958158 /nfs/dbraw/zinc/95/81/58/401958158.db2.gz RRPZKXDWJJVDPZ-WDEREUQCSA-N 0 0 318.373 2.214 10 30 DEEERN C=CCC(CC=C)C(=O)Nc1nnc(CCC(=O)OC)s1 ZINC000150754530 401994598 /nfs/dbraw/zinc/99/45/98/401994598.db2.gz HKHPUBFRQYSTRE-UHFFFAOYSA-N 0 0 309.391 2.351 10 30 DEEERN N#Cc1cc(S(=O)(=O)NCc2cscn2)ccc1Cl ZINC000051159583 402031851 /nfs/dbraw/zinc/03/18/51/402031851.db2.gz QHOWATAOEIOJFC-UHFFFAOYSA-N 0 0 313.791 2.147 10 30 DEEERN Cc1cnn(CCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)c1 ZINC000152604072 402101583 /nfs/dbraw/zinc/10/15/83/402101583.db2.gz HDEDKDBESFSVTM-UHFFFAOYSA-N 0 0 312.373 2.037 10 30 DEEERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NS(=O)(=O)CC1(C#N)CC1 ZINC000152961232 402119250 /nfs/dbraw/zinc/11/92/50/402119250.db2.gz QGDMROGXMIAEID-GFCCVEGCSA-N 0 0 324.450 2.231 10 30 DEEERN N#CC1(NC(=O)C2CCN(CC(F)(F)F)CC2)CCCC1 ZINC000097491571 402126244 /nfs/dbraw/zinc/12/62/44/402126244.db2.gz XSLYHQFHLYCPFZ-UHFFFAOYSA-N 0 0 303.328 2.213 10 30 DEEERN C=CCCS(=O)(=O)N1CC[C@H](C(=O)OC)c2ccccc21 ZINC000153099987 402126684 /nfs/dbraw/zinc/12/66/84/402126684.db2.gz DSOFEIPZYZNBHM-ZDUSSCGKSA-N 0 0 309.387 2.059 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](NC(=O)C(C)C)C1 ZINC000101552293 402148017 /nfs/dbraw/zinc/14/80/17/402148017.db2.gz WACUAMGJFQPVEY-HOTGVXAUSA-N 0 0 323.481 2.036 10 30 DEEERN Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2C#N)ccc1C(N)=O ZINC000103408111 402186982 /nfs/dbraw/zinc/18/69/82/402186982.db2.gz PWHVYLZNNVKUEZ-GFCCVEGCSA-N 0 0 323.352 2.372 10 30 DEEERN Cc1nnc([C@@H]2CN(CC#Cc3cccc(Cl)c3)CCO2)[nH]1 ZINC000154019840 402187518 /nfs/dbraw/zinc/18/75/18/402187518.db2.gz XQCUDYLCNMHEHO-HNNXBMFYSA-N 0 0 316.792 2.192 10 30 DEEERN Cc1ccc(C(=O)NCC(=O)N(CC#N)C2CCCC2)cc1C ZINC000125565265 402239569 /nfs/dbraw/zinc/23/95/69/402239569.db2.gz AVIMXVJWIALCAI-UHFFFAOYSA-N 0 0 313.401 2.328 10 30 DEEERN C=CCCOCCNC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000155410705 402255811 /nfs/dbraw/zinc/25/58/11/402255811.db2.gz HEBWBXKUESJUOT-HNNXBMFYSA-N 0 0 316.401 2.057 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NCCc1ccsc1 ZINC000070432127 402260104 /nfs/dbraw/zinc/26/01/04/402260104.db2.gz FDZJCBDAMACZFT-UHFFFAOYSA-N 0 0 306.412 2.449 10 30 DEEERN CCOc1ccc(C(=O)CCC(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000108833962 402262650 /nfs/dbraw/zinc/26/26/50/402262650.db2.gz GPNNEYJZNMKRRY-HNNXBMFYSA-N 0 0 300.358 2.467 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000155622964 402263116 /nfs/dbraw/zinc/26/31/16/402263116.db2.gz WVXHUMMTLNPMQH-KBPBESRZSA-N 0 0 314.389 2.426 10 30 DEEERN N#CCCN(C(=O)CCC(=O)N[C@@H](C#N)C1CC1)c1ccccc1 ZINC000109286708 402270587 /nfs/dbraw/zinc/27/05/87/402270587.db2.gz WBQVITJPZZSNIM-INIZCTEOSA-N 0 0 324.384 2.132 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000184597892 402281920 /nfs/dbraw/zinc/28/19/20/402281920.db2.gz YSIAYMNIXCJMIO-JTQLQIEISA-N 0 0 311.345 2.350 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CC ZINC000184718983 402294700 /nfs/dbraw/zinc/29/47/00/402294700.db2.gz VDKPALUJSDKKHT-CQSZACIVSA-N 0 0 317.389 2.044 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N(CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000185109824 402325154 /nfs/dbraw/zinc/32/51/54/402325154.db2.gz VLDIYPGWTXOMCC-ZIAGYGMSSA-N 0 0 301.452 2.405 10 30 DEEERN C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]2C(=O)NC)c1 ZINC000176351090 402302257 /nfs/dbraw/zinc/30/22/57/402302257.db2.gz DBPWVCHICSAXHT-OAHLLOKOSA-N 0 0 317.389 2.384 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000185039548 402318847 /nfs/dbraw/zinc/31/88/47/402318847.db2.gz QUWZLVDJGUYRIJ-AWEZNQCLSA-N 0 0 303.406 2.137 10 30 DEEERN N#Cc1ccc(F)cc1CN1CCCC[C@@H]1CN1CCOCC1 ZINC000160351159 402342098 /nfs/dbraw/zinc/34/20/98/402342098.db2.gz YCEWLPRGMPQLHE-GOSISDBHSA-N 0 0 317.408 2.384 10 30 DEEERN C#C[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000185368609 402347513 /nfs/dbraw/zinc/34/75/13/402347513.db2.gz GZKUENHOARQNDM-RISCZKNCSA-N 0 0 306.793 2.232 10 30 DEEERN COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(c2ccc(C#N)nn2)C1 ZINC000160768124 402359440 /nfs/dbraw/zinc/35/94/40/402359440.db2.gz JCUOJCTYQHDKNT-CABCVRRESA-N 0 0 322.368 2.131 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(OC)c(OC)cc1C(N)=O ZINC000185542618 402360279 /nfs/dbraw/zinc/36/02/79/402360279.db2.gz YWSNHVNCYXBHNB-SNVBAGLBSA-N 0 0 306.362 2.344 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCc1cccnc1-n1ccnc1 ZINC000160896694 402364579 /nfs/dbraw/zinc/36/45/79/402364579.db2.gz ZJNUSUAYFBFGSK-UHFFFAOYSA-N 0 0 317.352 2.377 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(F)ccc1Br ZINC000185719923 402371603 /nfs/dbraw/zinc/37/16/03/402371603.db2.gz UUAVGUWBBAUCHM-VIFPVBQESA-N 0 0 302.143 2.255 10 30 DEEERN C#CCCCCNC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C ZINC000177185104 402379034 /nfs/dbraw/zinc/37/90/34/402379034.db2.gz FDGIIHVRHGIWRH-CYBMUJFWSA-N 0 0 311.426 2.392 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000185914563 402388852 /nfs/dbraw/zinc/38/88/52/402388852.db2.gz VPPFHBKDKRKSSL-CYBMUJFWSA-N 0 0 304.321 2.076 10 30 DEEERN COc1ccc([C@@H]2CCCN2C(=O)CN(C)CCC#N)cc1 ZINC000177186410 402379818 /nfs/dbraw/zinc/37/98/18/402379818.db2.gz ITORYIVPWFMPEP-INIZCTEOSA-N 0 0 301.390 2.204 10 30 DEEERN N#Cc1cccnc1-n1cc(NCc2cccc3nccn32)cn1 ZINC000185844075 402382292 /nfs/dbraw/zinc/38/22/92/402382292.db2.gz VWDXHAXRDUXCLZ-UHFFFAOYSA-N 0 0 315.340 2.399 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 ZINC000185861801 402383411 /nfs/dbraw/zinc/38/34/11/402383411.db2.gz ZDKNTVHWKBTOOT-LLVKDONJSA-N 0 0 304.390 2.145 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(Cl)c(OCC)c(OC)c1 ZINC000185865833 402384020 /nfs/dbraw/zinc/38/40/20/402384020.db2.gz SJLWSROSUYPCTG-LLVKDONJSA-N 0 0 313.781 2.414 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCCCOc1cccc(C#N)c1 ZINC000185878099 402385035 /nfs/dbraw/zinc/38/50/35/402385035.db2.gz CDRVYOPSSQSLCQ-OAHLLOKOSA-N 0 0 302.374 2.161 10 30 DEEERN C#CCC(C)(C)C(=O)NCc1c(OC)cc(OC)cc1OC ZINC000185207218 402334175 /nfs/dbraw/zinc/33/41/75/402334175.db2.gz VNYVLJSTEUKSJK-UHFFFAOYSA-N 0 0 305.374 2.378 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000161404789 402386577 /nfs/dbraw/zinc/38/65/77/402386577.db2.gz QEVTXVQAQPTXRX-LBPRGKRZSA-N 0 0 304.346 2.461 10 30 DEEERN COc1ccc(O)cc1C(=O)N(CCC#N)Cc1ccccn1 ZINC000186627174 402449234 /nfs/dbraw/zinc/44/92/34/402449234.db2.gz MZOKMGJMBIVJRR-UHFFFAOYSA-N 0 0 311.341 2.352 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000177402271 402398943 /nfs/dbraw/zinc/39/89/43/402398943.db2.gz DAAXMKZXCFRFOT-HIFRSBDPSA-N 0 0 303.406 2.468 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1ccccc1OCCC(N)=O ZINC000161989003 402406238 /nfs/dbraw/zinc/40/62/38/402406238.db2.gz JFYDGJFHTSIJIV-UHFFFAOYSA-N 0 0 323.352 2.373 10 30 DEEERN Cc1ccc(C(=O)CCCC(=O)N2CCO[C@@H](C#N)C2)cc1 ZINC000186288877 402418288 /nfs/dbraw/zinc/41/82/88/402418288.db2.gz WFJRSRZSWGTNCU-HNNXBMFYSA-N 0 0 300.358 2.099 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000162980088 402438548 /nfs/dbraw/zinc/43/85/48/402438548.db2.gz VQUOJKHHNPEKSW-HNNXBMFYSA-N 0 0 301.390 2.005 10 30 DEEERN Cn1ccnc1CC1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000178543212 402509741 /nfs/dbraw/zinc/50/97/41/402509741.db2.gz GEOUYQXGTOTOSI-UHFFFAOYSA-N 0 0 314.414 2.448 10 30 DEEERN C=CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)n[nH]c1=O ZINC000163681020 402455429 /nfs/dbraw/zinc/45/54/29/402455429.db2.gz PCRISOOHHRQZCX-MRVPVSSYSA-N 0 0 309.395 2.291 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](CCO)c1ccco1 ZINC000187814230 402512374 /nfs/dbraw/zinc/51/23/74/402512374.db2.gz ADYBTADSBUMUPZ-OCCSQVGLSA-N 0 0 314.341 2.158 10 30 DEEERN CC(=O)N1CC[C@@H](C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)C1 ZINC000187291415 402491583 /nfs/dbraw/zinc/49/15/83/402491583.db2.gz MLDVASBESLPSRZ-KSTDHSDQSA-N 0 0 319.449 2.470 10 30 DEEERN C=CCNc1ncc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000245903490 402496107 /nfs/dbraw/zinc/49/61/07/402496107.db2.gz ABTVPZKMXIMINL-NWDGAFQWSA-N 0 0 308.451 2.200 10 30 DEEERN C=CCCC[C@H](C)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000245923580 402497401 /nfs/dbraw/zinc/49/74/01/402497401.db2.gz RDFFZIUCSZBQOM-QRTARXTBSA-N 0 0 315.417 2.462 10 30 DEEERN COC(=O)[C@@]1(C)CCCN1C(=O)CCc1ccc(C#N)cc1 ZINC000187710919 402509118 /nfs/dbraw/zinc/50/91/18/402509118.db2.gz MDUQRNYUDPLFSD-QGZVFWFLSA-N 0 0 300.358 2.045 10 30 DEEERN C=CCn1c(S[C@H]2CCNC2=O)nnc1-c1cccs1 ZINC000179007891 402564261 /nfs/dbraw/zinc/56/42/61/402564261.db2.gz HZPZVWCSSMVIDG-JTQLQIEISA-N 0 0 306.416 2.173 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(F)cc3C#N)[C@H]2C1 ZINC000246179343 402515957 /nfs/dbraw/zinc/51/59/57/402515957.db2.gz DALJONRXOAZKOF-IXDOHACOSA-N 0 0 304.365 2.466 10 30 DEEERN N#CCOc1ccc(CC(=O)NCCCc2ccccn2)cc1 ZINC000178600947 402515922 /nfs/dbraw/zinc/51/59/22/402515922.db2.gz YAIAXROXRUPVGO-UHFFFAOYSA-N 0 0 309.369 2.275 10 30 DEEERN COc1ccc([C@@H]2CCCN2C(=O)Cn2ccnc2C#N)cc1 ZINC000179858985 402602540 /nfs/dbraw/zinc/60/25/40/402602540.db2.gz FDHYRSSSAMVFAG-HNNXBMFYSA-N 0 0 310.357 2.127 10 30 DEEERN CO[C@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC[C@@H]1C ZINC000190726901 402620478 /nfs/dbraw/zinc/62/04/78/402620478.db2.gz WHVODLAYHLAEFU-NHYWBVRUSA-N 0 0 305.353 2.264 10 30 DEEERN N#Cc1cccc(CS(=O)(=O)NCc2ccc(Cl)cn2)c1 ZINC000180598829 402621620 /nfs/dbraw/zinc/62/16/20/402621620.db2.gz NUHSLALQLNEABJ-UHFFFAOYSA-N 0 0 321.789 2.226 10 30 DEEERN N#Cc1cc(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)c[nH]1 ZINC000181338462 402642538 /nfs/dbraw/zinc/64/25/38/402642538.db2.gz QROZIRAMXKHYNJ-NSHDSACASA-N 0 0 316.311 2.173 10 30 DEEERN CO[C@H](C(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000173903693 402718035 /nfs/dbraw/zinc/71/80/35/402718035.db2.gz DBOCJEXOIFQAIO-KRWDZBQOSA-N 0 0 310.353 2.441 10 30 DEEERN CCN(C[C@@H](C)C#N)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181937053 402661772 /nfs/dbraw/zinc/66/17/72/402661772.db2.gz QNBJIEPHIFRTKX-VIFPVBQESA-N 0 0 321.324 2.271 10 30 DEEERN C=CCN(Cc1noc(COC)n1)Cc1cccc([N+](=O)[O-])c1 ZINC000182417508 402688004 /nfs/dbraw/zinc/68/80/04/402688004.db2.gz QZHWZJISQKHEFH-UHFFFAOYSA-N 0 0 318.333 2.312 10 30 DEEERN COC(=O)[C@H](N[C@H](CO)c1ccccc1)c1cccc(C#N)c1 ZINC000182916298 402726748 /nfs/dbraw/zinc/72/67/48/402726748.db2.gz CVSZGDFQMWEICN-IAGOWNOFSA-N 0 0 310.353 2.096 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2[nH]nc3ccccc32)cc1 ZINC000174158505 402729176 /nfs/dbraw/zinc/72/91/76/402729176.db2.gz SWQDVAUEUGOYFF-UHFFFAOYSA-N 0 0 306.325 2.243 10 30 DEEERN CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192495496 402732604 /nfs/dbraw/zinc/73/26/04/402732604.db2.gz DAUKPMSVCDGOLB-NSHDSACASA-N 0 0 304.394 2.214 10 30 DEEERN N#CCNC(=O)CNC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000175122831 402781332 /nfs/dbraw/zinc/78/13/32/402781332.db2.gz IDZKWGGXKCANPV-UHFFFAOYSA-N 0 0 315.323 2.284 10 30 DEEERN N#Cc1ccc([N+](=O)[O-])c(NCc2cccnc2-n2cncn2)c1 ZINC000183703338 402790153 /nfs/dbraw/zinc/79/01/53/402790153.db2.gz HTGUVLRPXUWWBR-UHFFFAOYSA-N 0 0 321.300 2.054 10 30 DEEERN C[C@@H](NC(=O)c1ccnc(C#N)c1)c1ccc(-n2cncn2)cc1 ZINC000195046076 402829214 /nfs/dbraw/zinc/82/92/14/402829214.db2.gz GPMQQHKWFGDGLB-GFCCVEGCSA-N 0 0 318.340 2.025 10 30 DEEERN N#Cc1cc(S(=O)(=O)NC2CCSCC2)ccc1Cl ZINC000195139698 402833491 /nfs/dbraw/zinc/83/34/91/402833491.db2.gz VQQGZBRPOJFCPY-UHFFFAOYSA-N 0 0 316.835 2.386 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000184467933 402845556 /nfs/dbraw/zinc/84/55/56/402845556.db2.gz PABDHSHUWSDJNP-ZDUSSCGKSA-N 0 0 307.369 2.484 10 30 DEEERN CCc1nccn1[C@H]1CCCN(C(=O)c2cc(C#N)cn2C)C1 ZINC000176012971 402847778 /nfs/dbraw/zinc/84/77/78/402847778.db2.gz REDICYMUZJLPIY-AWEZNQCLSA-N 0 0 311.389 2.133 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000279015293 402895456 /nfs/dbraw/zinc/89/54/56/402895456.db2.gz IBWAZBNYIZDIOU-YUMQZZPRSA-N 0 0 323.340 2.459 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)Nc1ccc(=O)n(C)c1 ZINC000272287161 402919102 /nfs/dbraw/zinc/91/91/02/402919102.db2.gz FFNZFBREMFCCOJ-UHFFFAOYSA-N 0 0 301.346 2.241 10 30 DEEERN C=CCNC(=O)c1ccc(N2CC[C@@H](C(C)(C)C)[C@H](O)C2)nc1 ZINC000273326415 402994381 /nfs/dbraw/zinc/99/43/81/402994381.db2.gz QEXRKCWBXPNNBV-HUUCEWRRSA-N 0 0 317.433 2.231 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)[C@H](OC)c1ccc(F)cc1 ZINC000273394581 403000870 /nfs/dbraw/zinc/00/08/70/403000870.db2.gz OCZFWLOEJHQVRV-DFBGVHRSSA-N 0 0 310.369 2.138 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000273586268 403017414 /nfs/dbraw/zinc/01/74/14/403017414.db2.gz NXZHFTZGDVGQOX-CQSZACIVSA-N 0 0 311.385 2.417 10 30 DEEERN C=CCN1CC[C@H](N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)C1=O ZINC000281948684 403107640 /nfs/dbraw/zinc/10/76/40/403107640.db2.gz JITDJUMZHMAPON-XOKHGSTOSA-N 0 0 318.392 2.374 10 30 DEEERN C=CCN1CC[C@@H](N2CCC[C@H]2c2noc(C(C)C)n2)C1=O ZINC000282037289 403116004 /nfs/dbraw/zinc/11/60/04/403116004.db2.gz QNTFFBQFFPUZCH-QWHCGFSZSA-N 0 0 304.394 2.117 10 30 DEEERN CN1CCO[C@@H](CN(CC2CC2)c2ncc(C#N)cc2Cl)C1 ZINC000275705700 403117776 /nfs/dbraw/zinc/11/77/76/403117776.db2.gz NMRXVOWROTVSQN-CQSZACIVSA-N 0 0 320.824 2.154 10 30 DEEERN C=CCN(C)c1nnc([C@H]2COCCO2)n1Cc1cccs1 ZINC000282850182 403161662 /nfs/dbraw/zinc/16/16/62/403161662.db2.gz BFJDGCYXORUNMZ-CYBMUJFWSA-N 0 0 320.418 2.098 10 30 DEEERN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCc2sccc2[C@@H]1C ZINC000282956849 403164097 /nfs/dbraw/zinc/16/40/97/403164097.db2.gz VSEUPZDGTWVHAJ-QWRGUYRKSA-N 0 0 313.448 2.003 10 30 DEEERN C[C@H](C#N)CN(C)S(=O)(=O)N1CCc2sccc2[C@@H]1C ZINC000282956846 403164426 /nfs/dbraw/zinc/16/44/26/403164426.db2.gz VSEUPZDGTWVHAJ-MNOVXSKESA-N 0 0 313.448 2.003 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(OC(F)F)nc1 ZINC000283115234 403172879 /nfs/dbraw/zinc/17/28/79/403172879.db2.gz BJPLULKZFIGMOD-UHFFFAOYSA-N 0 0 313.304 2.046 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(C(=O)OC)c(C)cc1C ZINC000276424254 403173697 /nfs/dbraw/zinc/17/36/97/403173697.db2.gz IZSBNJKIMGLGDM-GFCCVEGCSA-N 0 0 306.362 2.149 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccn(-c2ccc(OC)cc2)n1 ZINC000277685508 403245215 /nfs/dbraw/zinc/24/52/15/403245215.db2.gz NFEHAUJXWRASHL-UHFFFAOYSA-N 0 0 321.380 2.160 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)N(C)CCCC ZINC000285315204 403280770 /nfs/dbraw/zinc/28/07/70/403280770.db2.gz MLEUILFTMUJJIB-INIZCTEOSA-N 0 0 308.447 2.187 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCC(=O)N(CC)CC ZINC000285678030 403354394 /nfs/dbraw/zinc/35/43/94/403354394.db2.gz GFFNQBYABCJGHK-QGZVFWFLSA-N 0 0 314.429 2.386 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@@H]2CCC[C@H](CO)C2)cc1 ZINC000298552050 403412066 /nfs/dbraw/zinc/41/20/66/403412066.db2.gz YXZHGMGPOSVRPR-JKSUJKDBSA-N 0 0 303.402 2.461 10 30 DEEERN C=CCCOCCCCC(=O)N[C@H]1CCCCC[C@H]1C(N)=O ZINC000342964505 403412492 /nfs/dbraw/zinc/41/24/92/403412492.db2.gz FXXHYRWCHQJKPD-CABCVRRESA-N 0 0 310.438 2.300 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC(=O)OCCC ZINC000286700551 403543656 /nfs/dbraw/zinc/54/36/56/403543656.db2.gz ABUKDLGRICSCIR-INIZCTEOSA-N 0 0 316.401 2.264 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000286740164 403544686 /nfs/dbraw/zinc/54/46/86/403544686.db2.gz QIQCNQJUYYTHAY-USXIJHARSA-N 0 0 300.402 2.345 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1c(C)nn(C)c1C ZINC000286773768 403544979 /nfs/dbraw/zinc/54/49/79/403544979.db2.gz SZDSYBBLEVVNNQ-KRWDZBQOSA-N 0 0 324.428 2.471 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N(C)[C@H]1C[C@@H](OC)C1 ZINC000287012045 403552328 /nfs/dbraw/zinc/55/23/28/403552328.db2.gz GVXHNHBFVJCXIW-BETUJISGSA-N 0 0 306.337 2.479 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)NCc1ccc(OCC)c(F)c1 ZINC000286320372 403499598 /nfs/dbraw/zinc/49/95/98/403499598.db2.gz HHFMHRWPUSLPAY-UHFFFAOYSA-N 0 0 320.364 2.041 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)CC(=O)Nc1cccc(Cl)c1 ZINC000287071236 403554106 /nfs/dbraw/zinc/55/41/06/403554106.db2.gz HWLDOJLGJTUINQ-UHFFFAOYSA-N 0 0 316.788 2.400 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](CCOC)Cc1ccco1 ZINC000346576792 403594893 /nfs/dbraw/zinc/59/48/93/403594893.db2.gz TUMFLXWAZGFBGY-KBMXLJTQSA-N 0 0 307.390 2.325 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCCNC(=O)C1CC1 ZINC000287432416 403598604 /nfs/dbraw/zinc/59/86/04/403598604.db2.gz QSJODLNQDXILQL-QGZVFWFLSA-N 0 0 312.413 2.044 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cc(-n2cccn2)ccn1 ZINC000346015615 403569947 /nfs/dbraw/zinc/56/99/47/403569947.db2.gz SHRXGJICZGNIPW-UHFFFAOYSA-N 0 0 310.279 2.458 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@H]1CCCO1 ZINC000287327909 403576367 /nfs/dbraw/zinc/57/63/67/403576367.db2.gz KJAQXTSGOBBYQN-IAGOWNOFSA-N 0 0 300.402 2.441 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000287345493 403579931 /nfs/dbraw/zinc/57/99/31/403579931.db2.gz NDNKDPZGEQJBCI-WBVHZDCISA-N 0 0 307.397 2.265 10 30 DEEERN Cc1cc(Nc2ccc(N3CCC(O)CC3)c(C#N)c2)ncn1 ZINC000301421282 403627635 /nfs/dbraw/zinc/62/76/35/403627635.db2.gz CVGWHCXBLDFEBN-UHFFFAOYSA-N 0 0 309.373 2.361 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C(C)(C)C(=O)OCC ZINC000287581315 403627744 /nfs/dbraw/zinc/62/77/44/403627744.db2.gz XMYLOMJTGUTCLA-HNNXBMFYSA-N 0 0 301.386 2.327 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCCC[C@@H]1CC(=O)NCC)OCC ZINC000347290017 403652116 /nfs/dbraw/zinc/65/21/16/403652116.db2.gz LUBPUHWFGJUOBS-HUUCEWRRSA-N 0 0 310.438 2.265 10 30 DEEERN C=CC[C@@H](CO)Nc1nn2cc(-c3cccnc3)nc2s1 ZINC000302138026 403708252 /nfs/dbraw/zinc/70/82/52/403708252.db2.gz NMSNKRJTMBZMBW-NSHDSACASA-N 0 0 301.375 2.202 10 30 DEEERN C#CCC(CC#C)C(=O)NCC1(CC(=O)OC)CCCCC1 ZINC000288014402 403709330 /nfs/dbraw/zinc/70/93/30/403709330.db2.gz VWDAVSSREKUTBP-UHFFFAOYSA-N 0 0 303.402 2.279 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCOC[C@H]1C1CC1 ZINC000288244733 403743188 /nfs/dbraw/zinc/74/31/88/403743188.db2.gz SJYHMABQYANCDR-MSOLQXFVSA-N 0 0 312.413 2.441 10 30 DEEERN C#CCC(CC#C)C(=O)NCCOc1ncccc1C(F)(F)F ZINC000288376681 403748155 /nfs/dbraw/zinc/74/81/55/403748155.db2.gz XWKGYAGLBLSDEB-UHFFFAOYSA-N 0 0 324.302 2.258 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NO[C@H]1CCCCO1 ZINC000288574839 403758601 /nfs/dbraw/zinc/75/86/01/403758601.db2.gz GFUDCFJNZIHIDU-HOTGVXAUSA-N 0 0 302.374 2.378 10 30 DEEERN C#Cc1ccc(CNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000295408826 403908169 /nfs/dbraw/zinc/90/81/69/403908169.db2.gz JGDKZIJPCSNROX-CQSZACIVSA-N 0 0 310.319 2.168 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000362126718 403928062 /nfs/dbraw/zinc/92/80/62/403928062.db2.gz VKSNDEXNFKMCFC-GFCCVEGCSA-N 0 0 304.394 2.049 10 30 DEEERN C=CCOCC(=O)N1CCC(CN2CCc3ccccc32)CC1 ZINC000347889278 403933236 /nfs/dbraw/zinc/93/32/36/403933236.db2.gz MPJGYYRBTRIMQL-UHFFFAOYSA-N 0 0 314.429 2.490 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCOc1ccc(OC)cc1 ZINC000362806702 403988642 /nfs/dbraw/zinc/98/86/42/403988642.db2.gz FCUWFOPBWGFVPO-HOTGVXAUSA-N 0 0 305.374 2.171 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C(=O)OCC)cnc1C ZINC000362820237 403990764 /nfs/dbraw/zinc/99/07/64/403990764.db2.gz MCQRYHMCFJJMJV-ZFWWWQNUSA-N 0 0 318.373 2.486 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000295664872 404003486 /nfs/dbraw/zinc/00/34/86/404003486.db2.gz NPOOLGUQWKHCAJ-SOUVJXGZSA-N 0 0 300.402 2.396 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@@H](c1cccnc1)C(C)C ZINC000290241603 404095772 /nfs/dbraw/zinc/09/57/72/404095772.db2.gz SBTJMOBZWZHCIH-MRXNPFEDSA-N 0 0 317.433 2.362 10 30 DEEERN C=CCOC[C@H]1NC(=O)N(Cc2ccc(SC)cc2)C1=O ZINC000348489471 404072010 /nfs/dbraw/zinc/07/20/10/404072010.db2.gz UWRRBWILQHAYFQ-CYBMUJFWSA-N 0 0 306.387 2.032 10 30 DEEERN Cn1ncc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)c1N ZINC000328615414 404115779 /nfs/dbraw/zinc/11/57/79/404115779.db2.gz YFYDEIFZCSGXRC-TZMCWYRMSA-N 0 0 300.362 2.085 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)NC[C@H]1CCCS1)CCC2 ZINC000328641071 404122780 /nfs/dbraw/zinc/12/27/80/404122780.db2.gz CZRGNBQHHCVHAX-QWHCGFSZSA-N 0 0 308.451 2.468 10 30 DEEERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)C[C@@H]2CCCCO2)C1 ZINC000328648787 404125283 /nfs/dbraw/zinc/12/52/83/404125283.db2.gz USMRMWHDHLWPTI-NRXISQOPSA-N 0 0 324.421 2.230 10 30 DEEERN CC[C@H](C(=O)NC[C@@H]1CCCn2cc(C)nc21)N1CCCC1=O ZINC000328664051 404127469 /nfs/dbraw/zinc/12/74/69/404127469.db2.gz YIEAJIZPUXQUFS-UONOGXRCSA-N 0 0 318.421 2.426 10 30 DEEERN C=CCOCCNC(=O)N1CCC(c2ccc(C)nc2)CC1 ZINC000363686828 404217466 /nfs/dbraw/zinc/21/74/66/404217466.db2.gz KIQSMZDWXGOPDB-UHFFFAOYSA-N 0 0 303.406 2.482 10 30 DEEERN C[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1)[C@H]1CCCO1 ZINC000328927237 404174701 /nfs/dbraw/zinc/17/47/01/404174701.db2.gz FPTPLFBAQFNFMS-IGQOVBAYSA-N 0 0 309.410 2.299 10 30 DEEERN C=CCOCCCC(=O)N1CCC(c2nccc(C)n2)CC1 ZINC000363808480 404223569 /nfs/dbraw/zinc/22/35/69/404223569.db2.gz AIRJCWNTPRIRHE-UHFFFAOYSA-N 0 0 303.406 2.474 10 30 DEEERN C=CCN(C(=O)C[C@@H]1CCCO1)c1nc(C(=O)OCC)cs1 ZINC000355068732 404194771 /nfs/dbraw/zinc/19/47/71/404194771.db2.gz ANVQGSCFAHECLX-NSHDSACASA-N 0 0 324.402 2.408 10 30 DEEERN C=CCN(CCOC)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000355176376 404262198 /nfs/dbraw/zinc/26/21/98/404262198.db2.gz MQUSPFMJFXGQSY-UHFFFAOYSA-N 0 0 302.349 2.390 10 30 DEEERN C=C(Cl)CNC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000363959798 404267219 /nfs/dbraw/zinc/26/72/19/404267219.db2.gz GYJBPEBFESFKJJ-SNVBAGLBSA-N 0 0 315.204 2.365 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(N(C)C)ncn1 ZINC000290684544 404272059 /nfs/dbraw/zinc/27/20/59/404272059.db2.gz MDCIABZATXUSFQ-HNNXBMFYSA-N 0 0 323.400 2.299 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CCC(C)(C)CC1 ZINC000352315919 404284743 /nfs/dbraw/zinc/28/47/43/404284743.db2.gz QKVJFFRZCPONLX-UKRRQHHQSA-N 0 0 322.449 2.169 10 30 DEEERN CC(C)C[C@@H]1C[C@@H](NC(=O)N2CCc3cncnc3C2)CCO1 ZINC000329483579 404352031 /nfs/dbraw/zinc/35/20/31/404352031.db2.gz QFHMJNLLDZZIMH-LSDHHAIUSA-N 0 0 318.421 2.342 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000350011635 404294801 /nfs/dbraw/zinc/29/48/01/404294801.db2.gz MPTJVKUTVXLAEQ-NSHDSACASA-N 0 0 313.350 2.096 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N[C@H]1CCOC1(C)C ZINC000296537394 404297213 /nfs/dbraw/zinc/29/72/13/404297213.db2.gz VCLSIBLGGFMGPP-HNNXBMFYSA-N 0 0 302.374 2.065 10 30 DEEERN C[C@H](Cn1ccnc1)NC(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000329700598 404427717 /nfs/dbraw/zinc/42/77/17/404427717.db2.gz ZXUIPFJHQHKLQA-ZBFHGGJFSA-N 0 0 320.437 2.467 10 30 DEEERN O=C(N[C@@H]1CCCn2ncnc21)N1CC2(CCC2)[C@H]1C1CC1 ZINC000329545369 404371552 /nfs/dbraw/zinc/37/15/52/404371552.db2.gz GPTCDVWAQFZLQU-CHWSQXEVSA-N 0 0 301.394 2.292 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CCOc2nc(C)ccc21 ZINC000355878926 404373866 /nfs/dbraw/zinc/37/38/66/404373866.db2.gz FFQOBBKXEKZYPZ-UHFFFAOYSA-N 0 0 311.341 2.389 10 30 DEEERN C[C@@H]1C(=O)NCCCN1CC(=O)NCCc1ccc(F)cc1 ZINC000329958417 404507334 /nfs/dbraw/zinc/50/73/34/404507334.db2.gz QPZYHJOLXLEARO-GFCCVEGCSA-N 0 0 307.369 2.375 10 30 DEEERN C=CCn1c(CC(C)(C)C)nnc1N1C[C@H](C(N)=O)CC[C@H]1C ZINC000351113870 404516829 /nfs/dbraw/zinc/51/68/29/404516829.db2.gz IUQINKHBUMBFGM-CHWSQXEVSA-N 0 0 319.453 2.143 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000342207573 404442872 /nfs/dbraw/zinc/44/28/72/404442872.db2.gz UKOGMPJILCSKPO-GFCCVEGCSA-N 0 0 316.405 2.229 10 30 DEEERN O=C(NC1CCN(C(=O)C2CC2)CC1)c1cn2ccnc2s1 ZINC000329795284 404455317 /nfs/dbraw/zinc/45/53/17/404455317.db2.gz CTLUYLJGOPALBX-UHFFFAOYSA-N 0 0 318.402 2.101 10 30 DEEERN C=CCn1cc(-c2nc(-c3cccnc3OC(C)C)no2)nn1 ZINC000351428979 404582090 /nfs/dbraw/zinc/58/20/90/404582090.db2.gz WUEBWQKUJHASNW-UHFFFAOYSA-N 0 0 312.333 2.363 10 30 DEEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCCCC(N)=O ZINC000342455098 404587896 /nfs/dbraw/zinc/58/78/96/404587896.db2.gz HMANYWDWVLHUCK-UHFFFAOYSA-N 0 0 320.437 2.414 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCCOCC1 ZINC000342367414 404536964 /nfs/dbraw/zinc/53/69/64/404536964.db2.gz FWIVUXVJNYUGQF-AWEZNQCLSA-N 0 0 307.390 2.493 10 30 DEEERN O=C(NCc1cccc(N2CCOCC2)n1)[C@@H]1C[C@@H]1C1CC1 ZINC000330093427 404550282 /nfs/dbraw/zinc/55/02/82/404550282.db2.gz RMQVNDBFPDOMCR-HUUCEWRRSA-N 0 0 301.390 2.421 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1oc(CO)cc1C ZINC000342393375 404550703 /nfs/dbraw/zinc/55/07/03/404550703.db2.gz JPCKRAJBCGUZHU-UHFFFAOYSA-N 0 0 319.357 2.384 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1c(CC)ncnc1CC ZINC000352692854 404554059 /nfs/dbraw/zinc/55/40/59/404554059.db2.gz KQBAYECARFKUQJ-LRDDRELGSA-N 0 0 303.406 2.312 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000373747554 404578629 /nfs/dbraw/zinc/57/86/29/404578629.db2.gz WLSMELVJIJYQPC-INIZCTEOSA-N 0 0 307.415 2.414 10 30 DEEERN C=CCNC(=O)[C@@H](C)N1CC(c2nc3ccccc3s2)C1 ZINC000342559219 404649592 /nfs/dbraw/zinc/64/95/92/404649592.db2.gz YCPWQWSOYQFUCT-LLVKDONJSA-N 0 0 301.415 2.386 10 30 DEEERN Cc1ncsc1C[NH+]=C([O-])N1CCC[C@@H]1Cn1ccnc1 ZINC000330254836 404603357 /nfs/dbraw/zinc/60/33/57/404603357.db2.gz PJRUMMHVCVAMHH-GFCCVEGCSA-N 0 0 305.407 2.227 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000297735339 404606359 /nfs/dbraw/zinc/60/63/59/404606359.db2.gz NZCQWQUXWKWGKS-UHFFFAOYSA-N 0 0 321.446 2.015 10 30 DEEERN C=CCNC(=O)CN1CCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000345245033 404636423 /nfs/dbraw/zinc/63/64/23/404636423.db2.gz QWBWOEBNTLXVIQ-AWEZNQCLSA-N 0 0 321.852 2.321 10 30 DEEERN Cc1ccc2cccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2n1 ZINC000365490827 404674440 /nfs/dbraw/zinc/67/44/40/404674440.db2.gz YJRXCOKHNMLCRD-INIZCTEOSA-N 0 0 320.396 2.356 10 30 DEEERN C=C(C)COc1cc(CN2CCO[C@H]([C@@H](C)O)C2)ccc1OC ZINC000414561843 404682611 /nfs/dbraw/zinc/68/26/11/404682611.db2.gz AJCQNTAGKXMEQN-KDOFPFPSSA-N 0 0 321.417 2.232 10 30 DEEERN C=CC[C@@H]1N(C(=O)C(=O)NCC[C@@H]2CCOC2)CCCC1(C)C ZINC000356767165 404685516 /nfs/dbraw/zinc/68/55/16/404685516.db2.gz GOJADPAYRWVROE-CABCVRRESA-N 0 0 322.449 2.123 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000356792675 404693931 /nfs/dbraw/zinc/69/39/31/404693931.db2.gz BZGJBFWRWXGILK-PBHICJAKSA-N 0 0 303.402 2.495 10 30 DEEERN N#CC1CCC(CNC(=O)C2CCN(CC(F)F)CC2)CC1 ZINC000357698603 404741015 /nfs/dbraw/zinc/74/10/15/404741015.db2.gz ZJDBTVTYDKXMFG-UHFFFAOYSA-N 0 0 313.392 2.410 10 30 DEEERN C=C(C)[C@H](CC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)OCC ZINC000358222991 404756432 /nfs/dbraw/zinc/75/64/32/404756432.db2.gz LBSGOCWCJWZMHQ-YOEHRIQHSA-N 0 0 311.422 2.154 10 30 DEEERN CC(C)C(=O)N1CCCC[C@@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000356968021 404722589 /nfs/dbraw/zinc/72/25/89/404722589.db2.gz GDMVUKBCOMRPBP-CQSZACIVSA-N 0 0 305.422 2.176 10 30 DEEERN Cc1nnc([C@@H]2CN(Cc3cn4ccccc4c3C#N)CCO2)o1 ZINC000365817479 404725901 /nfs/dbraw/zinc/72/59/01/404725901.db2.gz BSCQCIUHFGNZFO-INIZCTEOSA-N 0 0 323.356 2.076 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@H](C)c1c(F)cccc1OC ZINC000358967942 404780416 /nfs/dbraw/zinc/78/04/16/404780416.db2.gz AEGDKALQJYKFSS-LLVKDONJSA-N 0 0 308.353 2.094 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@@H](c1ncc(C)s1)C1CC1 ZINC000359066800 404782903 /nfs/dbraw/zinc/78/29/03/404782903.db2.gz JMRWWHYKYVEROW-GFCCVEGCSA-N 0 0 307.419 2.101 10 30 DEEERN N#C[C@@H]1CN(Cc2cnn(-c3ccccc3)c2)CCN1C1CC1 ZINC000360091372 404818002 /nfs/dbraw/zinc/81/80/02/404818002.db2.gz CLEMXLRTIYXTJZ-GOSISDBHSA-N 0 0 307.401 2.044 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1COc2cc(F)cc(F)c21 ZINC000377476439 404838595 /nfs/dbraw/zinc/83/85/95/404838595.db2.gz YULQOZWJECTZJT-IXPVHAAZSA-N 0 0 309.312 2.496 10 30 DEEERN C=C(C)CS(=O)(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000366619401 404824580 /nfs/dbraw/zinc/82/45/80/404824580.db2.gz IHJPJEGQIKCHCT-LSDHHAIUSA-N 0 0 312.410 2.066 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCC(NC(=O)C2CCC2)CC1)OCC ZINC000366741841 404840711 /nfs/dbraw/zinc/84/07/11/404840711.db2.gz USJAUDRPXLRLFI-MRXNPFEDSA-N 0 0 322.449 2.265 10 30 DEEERN N#Cc1cc(F)ccc1CS(=O)(=O)NCCC(F)(F)F ZINC000451278889 404935678 /nfs/dbraw/zinc/93/56/78/404935678.db2.gz DBISRVQEAUAMSS-UHFFFAOYSA-N 0 0 310.272 2.069 10 30 DEEERN C=CCN1CC[C@H](Nc2cccc(Cl)c2C(=O)OC)C1=O ZINC000417059790 405023467 /nfs/dbraw/zinc/02/34/67/405023467.db2.gz ARJGEMJYMVQOSI-LBPRGKRZSA-N 0 0 308.765 2.325 10 30 DEEERN N#Cc1ccnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000436017861 405037763 /nfs/dbraw/zinc/03/77/63/405037763.db2.gz QMVABNZQOCNQOJ-LBPRGKRZSA-N 0 0 324.315 2.084 10 30 DEEERN C=CCOC[C@@H](NC(=O)C/C=C/c1ccc(C)cc1)C(=O)OC ZINC000435934255 405028285 /nfs/dbraw/zinc/02/82/85/405028285.db2.gz GYTLROZWCDBNLY-SQRWCISFSA-N 0 0 317.385 2.259 10 30 DEEERN Cc1cc(C)c(CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(C)c1 ZINC000367380261 405032386 /nfs/dbraw/zinc/03/23/86/405032386.db2.gz QWGJAVACWMNWIP-KRWDZBQOSA-N 0 0 311.429 2.353 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc2cc(C)ccc2c1 ZINC000451397742 404980188 /nfs/dbraw/zinc/98/01/88/404980188.db2.gz RZZDOXRKARWTDE-OAHLLOKOSA-N 0 0 305.399 2.364 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1ccc2c(c1O)OC(C)(C)C2 ZINC000436618565 405110583 /nfs/dbraw/zinc/11/05/83/405110583.db2.gz SHMZDUCDVRYDII-LLVKDONJSA-N 0 0 305.374 2.020 10 30 DEEERN C=CCC1(C(=O)Nc2cccc(S(C)(=O)=O)c2)CCOCC1 ZINC000424559155 405116057 /nfs/dbraw/zinc/11/60/57/405116057.db2.gz KYTIUEAXRHOTHE-UHFFFAOYSA-N 0 0 323.414 2.402 10 30 DEEERN N#Cc1cccc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000408130186 405118486 /nfs/dbraw/zinc/11/84/86/405118486.db2.gz TYWVDHDRUSJHDL-INIZCTEOSA-N 0 0 311.385 2.033 10 30 DEEERN C=CCCn1cc(C(=O)N2CCc3cc(F)c(F)cc32)nn1 ZINC000424594803 405125237 /nfs/dbraw/zinc/12/52/37/405125237.db2.gz QUPPPVMCZCKDLS-UHFFFAOYSA-N 0 0 304.300 2.335 10 30 DEEERN C=CCOCC(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000354292251 405142727 /nfs/dbraw/zinc/14/27/27/405142727.db2.gz SUUIENOVSFHMMC-GFCCVEGCSA-N 0 0 309.163 2.333 10 30 DEEERN C#CCOCCC(=O)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000367763327 405147171 /nfs/dbraw/zinc/14/71/71/405147171.db2.gz KVXSFPZGRFYJRF-UHFFFAOYSA-N 0 0 304.777 2.391 10 30 DEEERN C#CCCCS(=O)(=O)N(C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000367787809 405155396 /nfs/dbraw/zinc/15/53/96/405155396.db2.gz UCABGDWWVVRUKZ-XJKSGUPXSA-N 0 0 307.415 2.054 10 30 DEEERN CC#CCCNC(=O)N1CCC(Nc2nc(C)cs2)CC1 ZINC000361648924 405181949 /nfs/dbraw/zinc/18/19/49/405181949.db2.gz VPLBFHZAXJLMJN-UHFFFAOYSA-N 0 0 306.435 2.451 10 30 DEEERN C=CCC1(C(=O)N[C@H](C)c2noc(COCC)n2)CCOCC1 ZINC000424828340 405190028 /nfs/dbraw/zinc/19/00/28/405190028.db2.gz NIJMDUOJHKOUNV-GFCCVEGCSA-N 0 0 323.393 2.156 10 30 DEEERN C=CCOCCNC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000367915568 405190879 /nfs/dbraw/zinc/19/08/79/405190879.db2.gz DWMJGYWOGYMQFK-CQSZACIVSA-N 0 0 323.824 2.421 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc(NC(C)=O)c1 ZINC000437520157 405204194 /nfs/dbraw/zinc/20/41/94/405204194.db2.gz QAJTYPGANQYTCY-HOCLYGCPSA-N 0 0 302.374 2.356 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)Oc1ccc(OC)cc1 ZINC000424934340 405215254 /nfs/dbraw/zinc/21/52/54/405215254.db2.gz UVPAPXVQTNTVME-WWGRRREGSA-N 0 0 305.374 2.170 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCCCc1nc(C(C)C)no1 ZINC000437815700 405221487 /nfs/dbraw/zinc/22/14/87/405221487.db2.gz PRTGNNBZBULTGT-INIZCTEOSA-N 0 0 309.410 2.471 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(Cc2ccn(C3CCCC3)n2)C1=O ZINC000419933130 405273042 /nfs/dbraw/zinc/27/30/42/405273042.db2.gz FGBMWHBWGUCFOK-AWEZNQCLSA-N 0 0 302.378 2.385 10 30 DEEERN C=CCCOCCCCC(=O)NC1(CO)Cc2ccccc2C1 ZINC000437943599 405225197 /nfs/dbraw/zinc/22/51/97/405225197.db2.gz ZJFURTBJBIVKFG-UHFFFAOYSA-N 0 0 317.429 2.396 10 30 DEEERN C=C(C)CCNC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000452718006 405232840 /nfs/dbraw/zinc/23/28/40/405232840.db2.gz NOCLGMZIUZSMOC-ZDUSSCGKSA-N 0 0 324.446 2.123 10 30 DEEERN CC#CCNC(=O)C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000440606075 405319405 /nfs/dbraw/zinc/31/94/05/405319405.db2.gz QZZGBGODWXJNMD-UHFFFAOYSA-N 0 0 314.385 2.476 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCOC)Cc1ccco1 ZINC000425855387 405324722 /nfs/dbraw/zinc/32/47/22/405324722.db2.gz MCUSPNAETRZIHI-ZFWWWQNUSA-N 0 0 308.378 2.029 10 30 DEEERN C=CCC1(CNC(=O)C(=O)Nc2c(C)nn(C)c2C)CCCC1 ZINC000453966618 405293040 /nfs/dbraw/zinc/29/30/40/405293040.db2.gz CCZKOOODZVDNMI-UHFFFAOYSA-N 0 0 318.421 2.228 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@H](CO)CCC=C ZINC000454062242 405295397 /nfs/dbraw/zinc/29/53/97/405295397.db2.gz UJRQFQQASAOEAK-HNNXBMFYSA-N 0 0 316.401 2.187 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1C[C@@H](OC)C1(CC)CC ZINC000425477246 405296433 /nfs/dbraw/zinc/29/64/33/405296433.db2.gz OMLYZCMNOMKAOC-BYNSBNAKSA-N 0 0 310.438 2.470 10 30 DEEERN C=CCC1(C(=O)Nc2cccc3c2oc(=O)n3C)CCOCC1 ZINC000425544062 405300746 /nfs/dbraw/zinc/30/07/46/405300746.db2.gz PXUXCEMPZHNGLW-UHFFFAOYSA-N 0 0 316.357 2.443 10 30 DEEERN C=C(CC)CNC(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 ZINC000455525262 405421909 /nfs/dbraw/zinc/42/19/09/405421909.db2.gz RFADLGZMZHRZMB-UHFFFAOYSA-N 0 0 321.343 2.195 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000448688895 405436951 /nfs/dbraw/zinc/43/69/51/405436951.db2.gz FEANLDCZCUGADV-UHFFFAOYSA-N 0 0 323.396 2.375 10 30 DEEERN CN(C[C@H]1OCCc2ccccc21)C(=O)c1ccc(C#N)n1C ZINC000448857280 405456331 /nfs/dbraw/zinc/45/63/31/405456331.db2.gz PMLCCBOYYNZCNJ-QGZVFWFLSA-N 0 0 309.369 2.283 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000448915354 405463489 /nfs/dbraw/zinc/46/34/89/405463489.db2.gz WZXSDGDYWSPHDF-TUVASFSCSA-N 0 0 311.447 2.091 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N1CCc2nc(COC)ncc2C1 ZINC000633208026 405503736 /nfs/dbraw/zinc/50/37/36/405503736.db2.gz QCUOJHIDCSXYLJ-CYBMUJFWSA-N 0 0 304.394 2.045 10 30 DEEERN CC#CCN(C)C(=O)C(C)(C)n1cc(C)c(C(F)(F)F)n1 ZINC000633215425 405508485 /nfs/dbraw/zinc/50/84/85/405508485.db2.gz SGJHNGQPMLXTHC-UHFFFAOYSA-N 0 0 301.312 2.427 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000456759722 405553202 /nfs/dbraw/zinc/55/32/02/405553202.db2.gz RZVLMYHVEXUTRK-DAXOMENPSA-N 0 0 316.401 2.338 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)COc1cccc2c1OC(C)(C)C2 ZINC000456762400 405555340 /nfs/dbraw/zinc/55/53/40/405555340.db2.gz ZXFSPADMEXGPOE-AWEZNQCLSA-N 0 0 319.401 2.222 10 30 DEEERN C=CCN1CC[C@@H](N(C)C[C@H](OC)c2ccc(F)cc2)C1=O ZINC000528493829 405634254 /nfs/dbraw/zinc/63/42/54/405634254.db2.gz IMLGALFRGQWRGB-CVEARBPZSA-N 0 0 306.381 2.232 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1cc2c(cc(OC)cc2OC)[nH]1 ZINC000633316463 405568759 /nfs/dbraw/zinc/56/87/59/405568759.db2.gz YKKMPPMGPBWLEL-DOMZBBRYSA-N 0 0 316.357 2.258 10 30 DEEERN C=C(CC)CNC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 ZINC000456825341 405580280 /nfs/dbraw/zinc/58/02/80/405580280.db2.gz HCDJUTLSHZQHCU-UHFFFAOYSA-N 0 0 303.362 2.299 10 30 DEEERN C=C(C)CN(CC)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000458926201 405656346 /nfs/dbraw/zinc/65/63/46/405656346.db2.gz VTNYKJGOOYIBPA-CYBMUJFWSA-N 0 0 322.430 2.165 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@@H](C)[C@H]2CC3CCC2CC3)C1=O ZINC000582364074 405714262 /nfs/dbraw/zinc/71/42/62/405714262.db2.gz UMWXTJLVZNQACK-RYKAKRHSSA-N 0 0 306.406 2.324 10 30 DEEERN C=C[C@@H](C)ONC(=O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC000529511300 405759895 /nfs/dbraw/zinc/75/98/95/405759895.db2.gz IGTPEDREKLXHQX-MRVPVSSYSA-N 0 0 303.284 2.474 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@](C)(O)CO ZINC000432585123 405785125 /nfs/dbraw/zinc/78/51/25/405785125.db2.gz BRKRMKNSKLAXOL-KRWDZBQOSA-N 0 0 306.406 2.403 10 30 DEEERN C=CCOCCCNC(=O)c1cc(-c2cccc(O)c2)on1 ZINC000636201588 405812119 /nfs/dbraw/zinc/81/21/19/405812119.db2.gz XWKIQAHGCXDOBL-UHFFFAOYSA-N 0 0 302.330 2.370 10 30 DEEERN C=C[C@](C)(O)C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000633731633 405813674 /nfs/dbraw/zinc/81/36/74/405813674.db2.gz RVOHPTMYNJANLZ-ZETCQYMHSA-N 0 0 317.239 2.068 10 30 DEEERN CC#CCNC(=O)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000450295779 405820991 /nfs/dbraw/zinc/82/09/91/405820991.db2.gz BEVVSKDAUWBZBY-UHFFFAOYSA-N 0 0 308.765 2.046 10 30 DEEERN C=CCOC[C@H](NC(=O)[C@H]1CCCC[C@@H]1C1CC1)C(=O)OC ZINC000583567132 405763645 /nfs/dbraw/zinc/76/36/45/405763645.db2.gz IROCTWWEXLMWSD-ILXRZTDVSA-N 0 0 309.406 2.063 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@H]2CCc3[nH]cnc3C2)cc1 ZINC000450172915 405766416 /nfs/dbraw/zinc/76/64/16/405766416.db2.gz HNCHLQUYCYUTHJ-AWEZNQCLSA-N 0 0 311.385 2.191 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000530072751 405774876 /nfs/dbraw/zinc/77/48/76/405774876.db2.gz VXCZYZAXRKMUDI-ZMPRRUGASA-N 0 0 319.426 2.377 10 30 DEEERN CNC(=O)c1ccc(C)c(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000530909267 405880401 /nfs/dbraw/zinc/88/04/01/405880401.db2.gz VJBNSFIDCAVBLV-UHFFFAOYSA-N 0 0 307.353 2.408 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NCC2CCC(C#N)CC2)c(F)c1 ZINC000562466409 406015315 /nfs/dbraw/zinc/01/53/15/406015315.db2.gz HXUVMFMFSLWPQR-UHFFFAOYSA-N 0 0 321.377 2.306 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NCc1snc(OC)c1Br ZINC000639246246 405999350 /nfs/dbraw/zinc/99/93/50/405999350.db2.gz NKXUZNLOINKTCZ-SFYZADRCSA-N 0 0 319.224 2.347 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(OC)c(Cl)c(OC)c1 ZINC000459666990 406000489 /nfs/dbraw/zinc/00/04/89/406000489.db2.gz NPWIBFOOVVUBAH-VIFPVBQESA-N 0 0 314.769 2.416 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2 ZINC000433969866 406005762 /nfs/dbraw/zinc/00/57/62/406005762.db2.gz BRBLURRINSDQHA-CYBMUJFWSA-N 0 0 315.417 2.071 10 30 DEEERN C=CCOc1ccc(CN2CCC[C@](O)(CO)C2)cc1Cl ZINC000459696087 406008834 /nfs/dbraw/zinc/00/88/34/406008834.db2.gz DHYNSFIMVMIJFF-MRXNPFEDSA-N 0 0 311.809 2.224 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccccc1)C[C@@H](C)O ZINC000566145721 406086522 /nfs/dbraw/zinc/08/65/22/406086522.db2.gz LFRGLCLMVZXCFB-PVAVHDDUSA-N 0 0 318.417 2.170 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N1CCO[C@@]2(CCSC2)C1 ZINC000566217914 406087011 /nfs/dbraw/zinc/08/70/11/406087011.db2.gz BJQANTSSCIMTGX-HNNXBMFYSA-N 0 0 308.451 2.129 10 30 DEEERN C=CCCCNC(=O)NCCOc1ccc(C(=O)OC)cc1 ZINC000567609924 406104057 /nfs/dbraw/zinc/10/40/57/406104057.db2.gz QMBZVYSNGJJCER-UHFFFAOYSA-N 0 0 306.362 2.117 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1CCO[C@H](C(C)C)C1 ZINC000636817778 406090449 /nfs/dbraw/zinc/09/04/49/406090449.db2.gz VMDDZHCWCZYAAN-KBPBESRZSA-N 0 0 310.438 2.025 10 30 DEEERN C=CCC1(C(=O)N2CCNCc3ccccc32)CCOCC1 ZINC000567580902 406099630 /nfs/dbraw/zinc/09/96/30/406099630.db2.gz BBCRUKHKWJOZCT-UHFFFAOYSA-N 0 0 300.402 2.496 10 30 DEEERN CC(=O)c1cccc(OCC(=O)N(C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000634198974 406051566 /nfs/dbraw/zinc/05/15/66/406051566.db2.gz SUQADMKTQOZOMG-GOEBONIOSA-N 0 0 300.358 2.419 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000562914746 406056346 /nfs/dbraw/zinc/05/63/46/406056346.db2.gz VOGMXQBRBDFMQK-HRDYMLBCSA-N 0 0 321.324 2.389 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc2oc(=O)[nH]c21 ZINC000563391779 406060108 /nfs/dbraw/zinc/06/01/08/406060108.db2.gz AQZAMIZCIIVILW-HZMBPMFUSA-N 0 0 302.330 2.244 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCCc1ccncc1C ZINC000636726438 406064342 /nfs/dbraw/zinc/06/43/42/406064342.db2.gz ZRKYGNZRVDQYBJ-UHFFFAOYSA-N 0 0 317.433 2.157 10 30 DEEERN C=CCC1(C(=O)Nc2cccc3c2CNC3=O)CCOCC1 ZINC000518964878 406168740 /nfs/dbraw/zinc/16/87/40/406168740.db2.gz FFBCBQKVMSGGNJ-UHFFFAOYSA-N 0 0 300.358 2.241 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@@H]1CCO[C@@H]1C(=C)C ZINC000636936456 406126989 /nfs/dbraw/zinc/12/69/89/406126989.db2.gz MZVTZFUEMQHLGP-LSDHHAIUSA-N 0 0 322.449 2.192 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C(C)(C)c1cccc(C(F)(F)F)n1 ZINC000632447432 406142000 /nfs/dbraw/zinc/14/20/00/406142000.db2.gz MNOUVIPSVRLEFZ-JTQLQIEISA-N 0 0 316.323 2.431 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCCc1cnccc1C ZINC000637001895 406146234 /nfs/dbraw/zinc/14/62/34/406146234.db2.gz HCFCOQVRWJTAGW-UHFFFAOYSA-N 0 0 317.433 2.157 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)N[C@@H](c2cccc(C)c2C)C1=O ZINC000567891356 406154561 /nfs/dbraw/zinc/15/45/61/406154561.db2.gz BKQGSTBHMDOXQU-BPUTZDHNSA-N 0 0 314.385 2.487 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000632593652 406194091 /nfs/dbraw/zinc/19/40/91/406194091.db2.gz BHLMIFRVFNVXGL-UKRRQHHQSA-N 0 0 322.449 2.121 10 30 DEEERN C=CCCC(C)(C)CNS(=O)(=O)c1cc(C)cc(C(N)=O)c1 ZINC000632640738 406209130 /nfs/dbraw/zinc/20/91/30/406209130.db2.gz AMRVPWSAMLMPRI-UHFFFAOYSA-N 0 0 324.446 2.365 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC(Cc2nccs2)CC1 ZINC000632640305 406209333 /nfs/dbraw/zinc/20/93/33/406209333.db2.gz MJTNUYZZJKUJAA-UHFFFAOYSA-N 0 0 300.449 2.304 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1C[C@@H](C)OC2(CCC2)C1 ZINC000632650535 406215445 /nfs/dbraw/zinc/21/54/45/406215445.db2.gz NEMHRTKOXGEZDN-CQSZACIVSA-N 0 0 322.449 2.265 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000637231154 406221995 /nfs/dbraw/zinc/22/19/95/406221995.db2.gz HOLHVFNYPNEWKY-UXLLHSPISA-N 0 0 316.401 2.482 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCc1nc([C@@H]2CCCO2)n[nH]1 ZINC000637253285 406229376 /nfs/dbraw/zinc/22/93/76/406229376.db2.gz GPTBOPOOZZSYPR-LBPRGKRZSA-N 0 0 321.425 2.448 10 30 DEEERN C=CCCCCCNC(=O)COc1cccc(C(=O)NC)c1 ZINC000519655159 406230880 /nfs/dbraw/zinc/23/08/80/406230880.db2.gz VBWQYERUUURGLL-UHFFFAOYSA-N 0 0 304.390 2.288 10 30 DEEERN C=C(C)CS(=O)(=O)N1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000632727534 406241966 /nfs/dbraw/zinc/24/19/66/406241966.db2.gz ATJPJYMFWPHUFE-AWEZNQCLSA-N 0 0 317.414 2.325 10 30 DEEERN C=CCCC1(CNC(=O)C(=O)N(C)Cc2ncc[nH]2)CCCC1 ZINC000632753585 406249663 /nfs/dbraw/zinc/24/96/63/406249663.db2.gz IFOOTGXWJXOOTQ-UHFFFAOYSA-N 0 0 318.421 2.011 10 30 DEEERN C=CC(C)(C)CCNC(=O)N(CCO)Cc1ccnn1CC ZINC000637323115 406258703 /nfs/dbraw/zinc/25/87/03/406258703.db2.gz HIYKRFKPLWPGPA-UHFFFAOYSA-N 0 0 308.426 2.009 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](O)[C@@H](C)c1ccc(C)cc1 ZINC000519825474 406260338 /nfs/dbraw/zinc/26/03/38/406260338.db2.gz YQAFOWDOXCOGRM-QSPRXWTASA-N 0 0 303.402 2.167 10 30 DEEERN Cn1cc([C@H](NC(=O)c2ccc(C#N)cc2)C(F)(F)F)cn1 ZINC000487780057 406262562 /nfs/dbraw/zinc/26/25/62/406262562.db2.gz WCHOIEXEYGLCAM-LBPRGKRZSA-N 0 0 308.263 2.325 10 30 DEEERN C=CCn1c(=O)c2ccsc2nc1S[C@@H]1CCCNC1=O ZINC000488021731 406286318 /nfs/dbraw/zinc/28/63/18/406286318.db2.gz FJEALEQAEWTANY-SNVBAGLBSA-N 0 0 321.427 2.015 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)c2cccc3cccc(O)c32)C1=O ZINC000632848109 406289018 /nfs/dbraw/zinc/28/90/18/406289018.db2.gz GFKZIEGUSDTQTP-OAHLLOKOSA-N 0 0 324.380 2.404 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC000637411899 406299507 /nfs/dbraw/zinc/29/95/07/406299507.db2.gz XICCIFYJBDLHOY-QWHCGFSZSA-N 0 0 322.405 2.249 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC000521644118 406361590 /nfs/dbraw/zinc/36/15/90/406361590.db2.gz YGROOQAMNQFGIW-UHFFFAOYSA-N 0 0 322.430 2.230 10 30 DEEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC000635044395 406409747 /nfs/dbraw/zinc/40/97/47/406409747.db2.gz IOKMTZHYWLNZQY-OKILXGFUSA-N 0 0 300.362 2.197 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1c2c(nn1C)CCCC2 ZINC000635207200 406460342 /nfs/dbraw/zinc/46/03/42/406460342.db2.gz MKUAJLSSHLVJQU-UHFFFAOYSA-N 0 0 318.421 2.100 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC)cc2F)C1 ZINC000635218183 406463330 /nfs/dbraw/zinc/46/33/30/406463330.db2.gz YFNAXJVFFIGHOA-LLVKDONJSA-N 0 0 306.337 2.197 10 30 DEEERN C[C@@H](CNC(=O)c1ccc(Cl)c(C#N)c1)N1CCCCC1=O ZINC000526016795 406534664 /nfs/dbraw/zinc/53/46/64/406534664.db2.gz BQIUTRQRCWGISS-NSHDSACASA-N 0 0 319.792 2.342 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C#N)ccc1OC ZINC000571757189 406561064 /nfs/dbraw/zinc/56/10/64/406561064.db2.gz CUVFUDMVIJUOCR-JSGCOSHPSA-N 0 0 301.346 2.279 10 30 DEEERN Cn1nccc1[C@@H]1CCCN(C(=O)Cc2cccc(C#N)c2)C1 ZINC000549085267 406575676 /nfs/dbraw/zinc/57/56/76/406575676.db2.gz LKRCDXRFVVGSEM-MRXNPFEDSA-N 0 0 308.385 2.240 10 30 DEEERN C=C[C@@H](C)NC(=O)[C@@]1(c2ccccc2)C[C@H]1C(=O)N[C@@H](C)C=C ZINC000635672864 406668441 /nfs/dbraw/zinc/66/84/41/406668441.db2.gz AIUPMQFKHWFCHF-QMYADUOMSA-N 0 0 312.413 2.326 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC000574608428 406785108 /nfs/dbraw/zinc/78/51/08/406785108.db2.gz UVKUFOMIGIELLV-RYUDHWBXSA-N 0 0 315.425 2.193 10 30 DEEERN N#Cc1c(C(F)(F)F)cc(C(F)(F)F)cc1S(N)(=O)=O ZINC000575341100 406806542 /nfs/dbraw/zinc/80/65/42/406806542.db2.gz KNWWRDBVASSEDG-UHFFFAOYSA-N 0 0 318.198 2.243 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N(C)[C@H]2C[C@@H](OC)C2)cc1 ZINC000554422124 406797313 /nfs/dbraw/zinc/79/73/13/406797313.db2.gz QAJPVFKDRIBEFO-GASCZTMLSA-N 0 0 317.389 2.244 10 30 DEEERN CCOC(=O)Cc1c(C#N)cc(Br)cc1[N+](=O)[O-] ZINC000575383595 406808027 /nfs/dbraw/zinc/80/80/27/406808027.db2.gz SALJVNUUVQHDBG-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN C#C[C@H](NN)c1scc(Br)c1Br ZINC000575585845 406812248 /nfs/dbraw/zinc/81/22/48/406812248.db2.gz NMURPZWTCUSQDT-YFKPBYRVSA-N 0 0 310.014 2.411 10 30 DEEERN C=CCn1c(-c2cnn(C)c2)nnc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000554642333 406819982 /nfs/dbraw/zinc/81/99/82/406819982.db2.gz HRTRNNSUQYSWLQ-ZIAGYGMSSA-N 0 0 312.421 2.491 10 30 DEEERN CCOc1c(N)ccc(I)c1CC#N ZINC000575718068 406823626 /nfs/dbraw/zinc/82/36/26/406823626.db2.gz OTTFUEQQTWAXAL-UHFFFAOYSA-N 0 0 302.115 2.338 10 30 DEEERN CCC[C@@H](COC)NC(=O)c1ccc(C#CCO)c(Cl)c1 ZINC000128926018 196004363 /nfs/dbraw/zinc/00/43/63/196004363.db2.gz JQURVLVQAHGHPU-AWEZNQCLSA-N 0 0 309.793 2.229 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C2CC2)n1C ZINC000129246778 196031747 /nfs/dbraw/zinc/03/17/47/196031747.db2.gz BALGDVISWBMKIO-UHFFFAOYSA-N 0 0 319.372 2.179 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000130551614 196089800 /nfs/dbraw/zinc/08/98/00/196089800.db2.gz SYXHEGCJMOLKKU-UHFFFAOYSA-N 0 0 306.362 2.067 10 30 DEEERN CSc1cccc(N2CC[C@H]3NC(=O)CC[C@@H]3C2)c1C#N ZINC000136686637 196547404 /nfs/dbraw/zinc/54/74/04/196547404.db2.gz VXXTXNOVADIOSW-DGCLKSJQSA-N 0 0 301.415 2.385 10 30 DEEERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccccc1OCC#N ZINC000175743348 224803862 /nfs/dbraw/zinc/80/38/62/224803862.db2.gz RKRBJYQETMSCDB-GFCCVEGCSA-N 0 0 318.373 2.391 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)c1cccnc1N(C)C ZINC000176790512 224827412 /nfs/dbraw/zinc/82/74/12/224827412.db2.gz TZMOVDQHQIXMOP-ZDUSSCGKSA-N 0 0 324.384 2.450 10 30 DEEERN N#Cc1ccc(C2(C(=O)NC[C@H](CO)c3ccccc3)CC2)cc1 ZINC000188320942 225016684 /nfs/dbraw/zinc/01/66/84/225016684.db2.gz HPYNGCXQOQESOF-QGZVFWFLSA-N 0 0 320.392 2.482 10 30 DEEERN N#Cc1ccc(C(=O)NCCOc2ccc(F)cc2F)cc1O ZINC000188456824 225021491 /nfs/dbraw/zinc/02/14/91/225021491.db2.gz OFLIRFVLWICMJE-UHFFFAOYSA-N 0 0 318.279 2.351 10 30 DEEERN C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000188609690 225025794 /nfs/dbraw/zinc/02/57/94/225025794.db2.gz ZUJDOEDWSXJWMZ-GFCCVEGCSA-N 0 0 314.385 2.436 10 30 DEEERN O[C@@H](CN1CCN(CC#Cc2ccccc2)CC1)c1ccccc1 ZINC000192000330 225122266 /nfs/dbraw/zinc/12/22/66/225122266.db2.gz LDTFOXSJFDBZGV-NRFANRHFSA-N 0 0 320.436 2.389 10 30 DEEERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cn(C)nc2C)cn1 ZINC000328626973 225775737 /nfs/dbraw/zinc/77/57/37/225775737.db2.gz MHWRZVHRXMSNCA-LSDHHAIUSA-N 0 0 317.393 2.170 10 30 DEEERN Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3COC[C@H](C2)O3)cc1C ZINC000328661252 225781798 /nfs/dbraw/zinc/78/17/98/225781798.db2.gz ACTOKKKMDQQOGF-CWRNSKLLSA-N 0 0 304.390 2.378 10 30 DEEERN Cc1nn(C)c(N)c1C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000328810138 225800941 /nfs/dbraw/zinc/80/09/41/225800941.db2.gz MHCNRECYBQMGHB-LLVKDONJSA-N 0 0 313.361 2.391 10 30 DEEERN O=C(NCCC1CCOCC1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000329349714 225868722 /nfs/dbraw/zinc/86/87/22/225868722.db2.gz SSNRXCLFDLHYKM-HNNXBMFYSA-N 0 0 308.422 2.408 10 30 DEEERN CCn1nccc1C1CCN(C(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000333200527 226103338 /nfs/dbraw/zinc/10/33/38/226103338.db2.gz YYJBUPGIBGFIKK-LSDHHAIUSA-N 0 0 315.421 2.484 10 30 DEEERN Cc1ccc2cc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)[nH]c2c1 ZINC000370967638 227060193 /nfs/dbraw/zinc/06/01/93/227060193.db2.gz HNAJOAFKWVQVHB-OAHLLOKOSA-N 0 0 308.385 2.289 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cccc(OC(F)F)c2)CCN1C1CC1 ZINC000370971097 227060316 /nfs/dbraw/zinc/06/03/16/227060316.db2.gz BFZZHHFOJDHLIX-ZDUSSCGKSA-N 0 0 321.327 2.100 10 30 DEEERN N#C[C@@H]1CN(C(=O)Cc2ccccc2Cl)CCN1C1CC1 ZINC000370990848 227062046 /nfs/dbraw/zinc/06/20/46/227062046.db2.gz IMUDGZMMSUWLQX-CQSZACIVSA-N 0 0 303.793 2.081 10 30 DEEERN C[C@@H](C(=O)N(C)CCC#N)N1CC(Cc2ccccc2F)C1 ZINC000371344489 227068741 /nfs/dbraw/zinc/06/87/41/227068741.db2.gz LLNSKGKWKVJTDN-ZDUSSCGKSA-N 0 0 303.381 2.061 10 30 DEEERN C[C@@H](OC1CCCCCC1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000372788719 227097659 /nfs/dbraw/zinc/09/76/59/227097659.db2.gz QQZQBKKHCUSPSX-ZBFHGGJFSA-N 0 0 319.449 2.313 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)Nc1cn(C)nc1C1CC1 ZINC000291526776 222446487 /nfs/dbraw/zinc/44/64/87/222446487.db2.gz QKSOQVROGBVTRV-UHFFFAOYSA-N 0 0 318.421 2.441 10 30 DEEERN N#C[C@H]1CCC[C@H]1NC(=O)C1CCN(CC(F)(F)F)CC1 ZINC000408151286 227228089 /nfs/dbraw/zinc/22/80/89/227228089.db2.gz PKFZZCNZOJYAEC-VXGBXAGGSA-N 0 0 303.328 2.069 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc(C3CC3)n(CC)n2)C1 ZINC000627734604 421865698 /nfs/dbraw/zinc/86/56/98/421865698.db2.gz XVHLQTYVLUOJFU-LBPRGKRZSA-N 0 0 316.405 2.144 10 30 DEEERN Cc1cc(NC(=O)Nc2ccc3nccn3c2)nn1CCC#N ZINC000615025079 422495663 /nfs/dbraw/zinc/49/56/63/422495663.db2.gz LERBWHPSXBUNPU-UHFFFAOYSA-N 0 0 309.333 2.397 10 30 DEEERN Cc1n[nH]cc1CCCNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000189249938 533686038 /nfs/dbraw/zinc/68/60/38/533686038.db2.gz QAZVMZGPLGGVMK-UHFFFAOYSA-N 0 0 308.385 2.370 10 30 DEEERN C=CC[C@H]1CCN(Cc2nc(N)nc(Nc3ccccc3C)n2)C1 ZINC000625701936 424811411 /nfs/dbraw/zinc/81/14/11/424811411.db2.gz CPDSHJKDTGKHFQ-AWEZNQCLSA-N 0 0 324.432 2.326 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@@H](CC(=O)OC)c1ccccc1 ZINC000194400791 424875905 /nfs/dbraw/zinc/87/59/05/424875905.db2.gz RASXZDZMOPWPJA-HIFRSBDPSA-N 0 0 305.374 2.388 10 30 DEEERN CC(=O)CCC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000337424821 424929533 /nfs/dbraw/zinc/92/95/33/424929533.db2.gz WDZDMAWZHGVCOA-UHFFFAOYSA-N 0 0 316.748 2.705 10 30 DEEERN C=CCNc1nnc(Sc2nc([C@@H](C)OC)ns2)s1 ZINC000337919708 424933179 /nfs/dbraw/zinc/93/31/79/424933179.db2.gz XMEVKISGAPNSBW-ZCFIWIBFSA-N 0 0 315.449 2.846 10 30 DEEERN C=CC[C@H](CC)NC(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1 ZINC000597147796 425031233 /nfs/dbraw/zinc/03/12/33/425031233.db2.gz VVBASDQWVIBXEP-LBPRGKRZSA-N 0 0 322.409 2.701 10 30 DEEERN C=CCNc1ncc(C(=O)NCC2(C#N)CCCCC2)s1 ZINC000598774178 425040601 /nfs/dbraw/zinc/04/06/01/425040601.db2.gz ZZLUZBPNZSATKH-UHFFFAOYSA-N 0 0 304.419 2.945 10 30 DEEERN C=CCNC(=O)c1ccc(NC[C@@H]2CCO[C@H](C(C)C)C2)nc1 ZINC000450734257 425079631 /nfs/dbraw/zinc/07/96/31/425079631.db2.gz BRWWLPLQELWENH-ZBFHGGJFSA-N 0 0 317.433 2.861 10 30 DEEERN C=CCNc1ncc(C(=O)NC[C@H]2CCO[C@H](C(C)C)C2)s1 ZINC000452828896 425087054 /nfs/dbraw/zinc/08/70/54/425087054.db2.gz KOJKDTVVFRUFMG-STQMWFEESA-N 0 0 323.462 2.922 10 30 DEEERN CN1CCc2nc(NC(=O)Cc3cccc(C#N)c3)sc2C1 ZINC000531396571 267340873 /nfs/dbraw/zinc/34/08/73/267340873.db2.gz CXSOIPDFUSRHEF-UHFFFAOYSA-N 0 0 312.398 2.184 10 30 DEEERN N#Cc1cccc(CN2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)c1F ZINC000408044217 268248100 /nfs/dbraw/zinc/24/81/00/268248100.db2.gz MXTXQYPVKCZUHW-BRWVUGGUSA-N 0 0 318.392 2.449 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccc(Cn3cncn3)cc2)c1 ZINC000530670473 268277835 /nfs/dbraw/zinc/27/78/35/268277835.db2.gz BADACCDJPODDQR-UHFFFAOYSA-N 0 0 317.352 2.379 10 30 DEEERN N#Cc1cncc(N2CCC[C@H](c3ncc4n3CCCC4)C2)n1 ZINC000516860467 268315533 /nfs/dbraw/zinc/31/55/33/268315533.db2.gz ZTWBWDASSVXVRV-ZDUSSCGKSA-N 0 0 308.389 2.265 10 30 DEEERN Cc1cc(C#N)nc(N[C@H]2c3sccc3OC(C)(C)[C@@H]2O)n1 ZINC000334030806 269008149 /nfs/dbraw/zinc/00/81/49/269008149.db2.gz KUNOEROXFAEYOU-WCQYABFASA-N 0 0 316.386 2.403 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)CCCO ZINC000452439563 269142104 /nfs/dbraw/zinc/14/21/04/269142104.db2.gz HSNOSXQLFUNSPK-PBHICJAKSA-N 0 0 318.417 2.486 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N2CCCSCC2)cc1Cl ZINC000075788972 274925781 /nfs/dbraw/zinc/92/57/81/274925781.db2.gz VEAJCVNLOIAPMT-UHFFFAOYSA-N 0 0 316.835 2.339 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N(C)[C@H](C)C1CC1 ZINC000290913651 276867496 /nfs/dbraw/zinc/86/74/96/276867496.db2.gz DSEAELFRKVMSET-TZMCWYRMSA-N 0 0 306.410 2.177 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000341535376 276870288 /nfs/dbraw/zinc/87/02/88/276870288.db2.gz SMMHPUJVURUPTQ-HLLBOEOZSA-N 0 0 308.422 2.180 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1C(C)=O ZINC000286079233 277697827 /nfs/dbraw/zinc/69/78/27/277697827.db2.gz ADMCEUYUYWQMPC-MSOLQXFVSA-N 0 0 312.413 2.138 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000295664869 277781492 /nfs/dbraw/zinc/78/14/92/277781492.db2.gz NPOOLGUQWKHCAJ-QLFBSQMISA-N 0 0 300.402 2.396 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000355907614 277908906 /nfs/dbraw/zinc/90/89/06/277908906.db2.gz BBIIKZYBEXXAOB-MSOLQXFVSA-N 0 0 301.386 2.362 10 30 DEEERN C[C@H](NC(=O)c1ccc(C#N)n1C)[C@@H]1OCCc2sccc21 ZINC000452130391 279447530 /nfs/dbraw/zinc/44/75/30/279447530.db2.gz YDQUHIOYVYBQNS-BONVTDFDSA-N 0 0 315.398 2.391 10 30 DEEERN CC(C)OC(=O)[C@H](C)CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000174104205 279641788 /nfs/dbraw/zinc/64/17/88/279641788.db2.gz LHLCMCQSYYWJNV-CHWSQXEVSA-N 0 0 318.373 2.029 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCSC[C@H]1c1nccs1 ZINC000186052259 294202718 /nfs/dbraw/zinc/20/27/18/294202718.db2.gz BENNDGFSVXWMSC-LBPRGKRZSA-N 0 0 318.427 2.284 10 30 DEEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000375707162 298275140 /nfs/dbraw/zinc/27/51/40/298275140.db2.gz XWBSXVIFFNXNDO-HUUCEWRRSA-N 0 0 311.451 2.287 10 30 DEEERN N#Cc1ccc(N2CCC[C@@H]2c2nnc3n2CCCCC3)nn1 ZINC000301924842 303193526 /nfs/dbraw/zinc/19/35/26/303193526.db2.gz MHEQYXXHSLGBIL-CYBMUJFWSA-N 0 0 309.377 2.008 10 30 DEEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000328833918 303511602 /nfs/dbraw/zinc/51/16/02/303511602.db2.gz LKMAXQVJFGEYNB-HZSPNIEDSA-N 0 0 304.394 2.418 10 30 DEEERN C=CCn1c(N2CC[C@H](C)[C@H](OC)C2)nnc1[C@]1(C)CCCO1 ZINC000556444508 331704985 /nfs/dbraw/zinc/70/49/85/331704985.db2.gz AANYSGHPLMTHKJ-VBQJREDUSA-N 0 0 320.437 2.351 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3C[C@H]3C3CC3)cc2C1=O ZINC000556690251 331725310 /nfs/dbraw/zinc/72/53/10/331725310.db2.gz LCXSGLQLRVMRTD-ZFWWWQNUSA-N 0 0 324.380 2.245 10 30 DEEERN COc1cc(C)ccc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000363406612 331899164 /nfs/dbraw/zinc/89/91/64/331899164.db2.gz OLANWLNPWLCTRY-CQSZACIVSA-N 0 0 314.389 2.208 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000186667543 332941967 /nfs/dbraw/zinc/94/19/67/332941967.db2.gz CZFYFKXOYVTAJN-LBPRGKRZSA-N 0 0 324.229 2.350 10 30 DEEERN C=CCC(C)(C)c1noc(-c2c3n(c(=O)n2C)CCCC3)n1 ZINC000560353438 332333739 /nfs/dbraw/zinc/33/37/39/332333739.db2.gz LKRQTSDZQBNVGR-UHFFFAOYSA-N 0 0 302.378 2.427 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000583392030 332382344 /nfs/dbraw/zinc/38/23/44/332382344.db2.gz RGRFAAQIKNDCCJ-HUUCEWRRSA-N 0 0 310.438 2.169 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(-c2ncon2)cc1 ZINC000562824856 332630207 /nfs/dbraw/zinc/63/02/07/332630207.db2.gz ZXULBTPQBGESCZ-OLZOCXBDSA-N 0 0 300.318 2.202 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NCCc1ncc(CC)s1 ZINC000569666296 332656304 /nfs/dbraw/zinc/65/63/04/332656304.db2.gz YYUROCBVMZGQTB-OLZOCXBDSA-N 0 0 309.435 2.281 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OC)c(OC)c1 ZINC000563029428 333076254 /nfs/dbraw/zinc/07/62/54/333076254.db2.gz OIDHDMRNYMUUPL-AAEUAGOBSA-N 0 0 306.362 2.416 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)C[C@H]1CCOC[C@H]1OC ZINC000296752410 335148200 /nfs/dbraw/zinc/14/82/00/335148200.db2.gz KUFNGJJIMZMGMC-GDBMZVCRSA-N 0 0 307.390 2.278 10 30 DEEERN C=CCN(CC=C)C(=O)NCCCNC(=O)c1ccccc1 ZINC000340027997 333776805 /nfs/dbraw/zinc/77/68/05/333776805.db2.gz SHEICTRSTIOAHW-UHFFFAOYSA-N 0 0 301.390 2.190 10 30 DEEERN C=CCN(CCOC)c1nnc(-c2ncccc2C)n1CC=C ZINC000350622736 335766721 /nfs/dbraw/zinc/76/67/21/335766721.db2.gz FIJKJIACXVWSMH-UHFFFAOYSA-N 0 0 313.405 2.473 10 30 DEEERN C=CCOC[C@H]1NC(=O)N(CC(C)(C)C(F)(F)CC)C1=O ZINC000530207496 335917061 /nfs/dbraw/zinc/91/70/61/335917061.db2.gz MAUPRTUZYXBCHF-SNVBAGLBSA-N 0 0 304.337 2.181 10 30 DEEERN CC1CC(C#N)(C(=O)NCc2ccc(Cn3ccnc3)cc2)C1 ZINC000532319324 336239455 /nfs/dbraw/zinc/23/94/55/336239455.db2.gz SFDKISVEQJTKGA-UHFFFAOYSA-N 0 0 308.385 2.487 10 30 DEEERN C=CCNC(=O)c1ccc(NCCc2c(C)nn(C)c2C)nc1 ZINC000301228382 336295869 /nfs/dbraw/zinc/29/58/69/336295869.db2.gz IAGYRJWXSICEIT-UHFFFAOYSA-N 0 0 313.405 2.002 10 30 DEEERN C=CCn1c(N2CCO[C@H](C(C)C)C2)nnc1[C@@]1(C)CCCO1 ZINC000582468747 337094070 /nfs/dbraw/zinc/09/40/70/337094070.db2.gz GCDZSTPOISICST-WMLDXEAASA-N 0 0 320.437 2.351 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1cccc2c1OCO2 ZINC000583317254 337314667 /nfs/dbraw/zinc/31/46/67/337314667.db2.gz BDLUYRWLTOXJDQ-KBPBESRZSA-N 0 0 303.358 2.055 10 30 DEEERN CN(C)c1ccc(C=Nc2ccc3nc(N)nc(N)c3c2)cc1 ZINC000584623082 337375227 /nfs/dbraw/zinc/37/52/27/337375227.db2.gz CWMCZIREYQHBOG-KEBDBYFISA-N 0 0 306.373 2.272 10 30 DEEERN CSCc1nc2ccccc2n1CC(=O)N[C@H](C#N)C1CC1 ZINC000108842615 337842537 /nfs/dbraw/zinc/84/25/37/337842537.db2.gz NZULKIKZFBVMDF-CYBMUJFWSA-N 0 0 314.414 2.318 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)C(C)(C)C(=O)OC ZINC000505479498 340169248 /nfs/dbraw/zinc/16/92/48/340169248.db2.gz HNEQWVJTPQLOIL-UHFFFAOYSA-N 0 0 321.329 2.470 10 30 DEEERN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCCCCC#N)C1 ZINC000173134956 340358913 /nfs/dbraw/zinc/35/89/13/340358913.db2.gz SLRCGQLVAXROSV-OLZOCXBDSA-N 0 0 309.410 2.490 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ncc2c(F)cccn21 ZINC000529246728 340750128 /nfs/dbraw/zinc/75/01/28/340750128.db2.gz NNQVTQAMBCXHSI-SMDDNHRTSA-N 0 0 303.337 2.184 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)c(C)o2)C1 ZINC000529518615 340758880 /nfs/dbraw/zinc/75/88/80/340758880.db2.gz LWJCGMVQRKMUFB-GFCCVEGCSA-N 0 0 311.403 2.420 10 30 DEEERN CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000128304238 340870311 /nfs/dbraw/zinc/87/03/11/340870311.db2.gz XBRPQPAUPNVMPI-JTQLQIEISA-N 0 0 321.764 2.290 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(C)c1C ZINC000068792542 340931603 /nfs/dbraw/zinc/93/16/03/340931603.db2.gz MYZDVRZCSUBEBY-UHFFFAOYSA-N 0 0 314.345 2.465 10 30 DEEERN CC1(C#N)CCN([C@@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 ZINC000543717840 341055119 /nfs/dbraw/zinc/05/51/19/341055119.db2.gz FJGWTESPSOYDIZ-CQSZACIVSA-N 0 0 315.348 2.083 10 30 DEEERN C=CCCCN(C)C(=O)CCc1nc(-c2ccncc2)no1 ZINC000076490325 341208326 /nfs/dbraw/zinc/20/83/26/341208326.db2.gz BPJOTUSCTPKZQP-UHFFFAOYSA-N 0 0 300.362 2.489 10 30 DEEERN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)NC[C@H](C)C#N ZINC000248387014 341376117 /nfs/dbraw/zinc/37/61/17/341376117.db2.gz AAMQYTZRZJBGGF-HUUCEWRRSA-N 0 0 300.406 2.456 10 30 DEEERN C[C@H](C#N)CNC(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000248453079 341378199 /nfs/dbraw/zinc/37/81/99/341378199.db2.gz QHPMGTULHKZUTO-TYNCELHUSA-N 0 0 305.353 2.457 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1N1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000565882556 341541325 /nfs/dbraw/zinc/54/13/25/341541325.db2.gz IFPYGQUJGPVQRV-KEYYUXOJSA-N 0 0 318.348 2.326 10 30 DEEERN C=CCn1c(C(=O)NC(C)C)nnc1N1CC2(CCC2)C[C@H]1C ZINC000566883616 341570683 /nfs/dbraw/zinc/57/06/83/341570683.db2.gz HRBBQFGYDCUAQD-CYBMUJFWSA-N 0 0 317.437 2.371 10 30 DEEERN C=C(C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000154273686 341587553 /nfs/dbraw/zinc/58/75/53/341587553.db2.gz YLAOCBBIQGHOSG-KKUMJFAQSA-N 0 0 300.406 2.306 10 30 DEEERN C=CCCCCCNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000567402221 341601628 /nfs/dbraw/zinc/60/16/28/341601628.db2.gz MNSIZVBOMNLLEI-CQSZACIVSA-N 0 0 304.390 2.491 10 30 DEEERN C=C[C@H](CC(=O)N1C[C@H](C(N)=O)CC[C@H]1C)c1ccccc1 ZINC000155227576 341604390 /nfs/dbraw/zinc/60/43/90/341604390.db2.gz ZRQDQKSNAJSUAG-IIAWOOMASA-N 0 0 300.402 2.459 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCOc2ccc(C)cc2C1 ZINC000576274347 341837400 /nfs/dbraw/zinc/83/74/00/341837400.db2.gz YXMOOVVKNDCUSM-HOCLYGCPSA-N 0 0 316.401 2.490 10 30 DEEERN COC(=O)c1cc(CNC(=O)N2CCC(C)(C#N)CC2)oc1C ZINC000357051428 533808672 /nfs/dbraw/zinc/80/86/72/533808672.db2.gz PFOJIYYPVJSFCE-UHFFFAOYSA-N 0 0 319.361 2.210 10 30 DEEERN C[C@H](Cc1ccc(O)cc1)NC(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000328849761 534143543 /nfs/dbraw/zinc/14/35/43/534143543.db2.gz YYETXRJZDURSAH-DAXOMENPSA-N 0 0 304.390 2.491 10 30 DEEERN C=CC[C@H](CO)CNC(=O)Cc1sccc1Br ZINC000450624838 534388324 /nfs/dbraw/zinc/38/83/24/534388324.db2.gz PJRGDYSTBXPESL-VIFPVBQESA-N 0 0 318.236 2.354 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N(CC)C[C@@H](C)CC ZINC000453427038 534425975 /nfs/dbraw/zinc/42/59/75/534425975.db2.gz OTQKGVSCXMNIRO-LBPRGKRZSA-N 0 0 317.441 2.440 10 30 DEEERN C=CCn1c(N(CC)C[C@@H]2CCCO2)nnc1[C@@]1(C)CCCO1 ZINC000453448146 534442326 /nfs/dbraw/zinc/44/23/26/534442326.db2.gz YCLPEUOTUCSVTE-WMLDXEAASA-N 0 0 320.437 2.495 10 30 DEEERN CCC1CCC(NC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000171110350 519854260 /nfs/dbraw/zinc/85/42/60/519854260.db2.gz QQZZTJCSYQBCDL-UHFFFAOYSA-N 0 0 313.401 2.373 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000456271761 534570971 /nfs/dbraw/zinc/57/09/71/534570971.db2.gz XVFYQUCLEVKHSH-CVEARBPZSA-N 0 0 302.374 2.133 10 30 DEEERN C=CCC1(CNC(=O)C2(N3CCOCC3)CCC2)CCCC1 ZINC000456484782 534595778 /nfs/dbraw/zinc/59/57/78/534595778.db2.gz JVZLEOCVLRNUNR-UHFFFAOYSA-N 0 0 306.450 2.494 10 30 DEEERN CC(=O)N[C@H](CC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000253491064 534625273 /nfs/dbraw/zinc/62/52/73/534625273.db2.gz LAZMWNLCPRFVGM-GOSISDBHSA-N 0 0 321.380 2.442 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000448846606 534676950 /nfs/dbraw/zinc/67/69/50/534676950.db2.gz IWZMOHAFSYRMBD-UHFFFAOYSA-N 0 0 310.357 2.011 10 30 DEEERN C=CCCCN(C)C(=O)NC1CCC(CS(C)(=O)=O)CC1 ZINC000458901084 534701402 /nfs/dbraw/zinc/70/14/02/534701402.db2.gz JHBAZKMGKBRWDP-UHFFFAOYSA-N 0 0 316.467 2.197 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)c1cc(C(=O)OC)on1 ZINC000343264537 526312807 /nfs/dbraw/zinc/31/28/07/526312807.db2.gz LKJRZRRBJFEKFO-UHFFFAOYSA-N 0 0 314.341 2.332 10 30 DEEERN CC#CCCNC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000337452742 526334457 /nfs/dbraw/zinc/33/44/57/526334457.db2.gz ISJBLDRPWCXJEW-UHFFFAOYSA-N 0 0 306.163 2.469 10 30 DEEERN CC#CCN(C)C(=O)c1cccc(COC2CCOCC2)c1 ZINC000341038643 526355614 /nfs/dbraw/zinc/35/56/14/526355614.db2.gz ILFYRHSMWOHRMO-UHFFFAOYSA-N 0 0 301.386 2.478 10 30 DEEERN C=CCN(c1nnc([C@@H]2COCCO2)n1CC(=C)C)C1CC1 ZINC000293080173 526386385 /nfs/dbraw/zinc/38/63/85/526386385.db2.gz SPCSHRSYYSNVPF-AWEZNQCLSA-N 0 0 304.394 2.097 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3CC)cc2C1=O ZINC000340558497 526410229 /nfs/dbraw/zinc/41/02/29/526410229.db2.gz UFCNGFNFWVEFEQ-ZDUSSCGKSA-N 0 0 312.369 2.483 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)C1=O ZINC000337085037 526494985 /nfs/dbraw/zinc/49/49/85/526494985.db2.gz DBXPGIZWIOLHDQ-XLNGHYISSA-N 0 0 312.413 2.281 10 30 DEEERN C=C(C)CN(C)C(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000180461136 526497496 /nfs/dbraw/zinc/49/74/96/526497496.db2.gz PDTQIIGWVRYRSJ-CQSZACIVSA-N 0 0 306.431 2.316 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCOCC2)cc1 ZINC000377266248 526650249 /nfs/dbraw/zinc/65/02/49/526650249.db2.gz JLJHITXLIKVIHE-CYBMUJFWSA-N 0 0 302.374 2.358 10 30 DEEERN CC(=O)N1CCc2cc(NC(=O)N[C@@H]3CCC[C@H]3C#N)ccc21 ZINC000408235676 526674312 /nfs/dbraw/zinc/67/43/12/526674312.db2.gz LDOYXESIQKOXOW-DZGCQCFKSA-N 0 0 312.373 2.409 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000376900778 526674520 /nfs/dbraw/zinc/67/45/20/526674520.db2.gz BHAZCEMQJTYIPV-AWEZNQCLSA-N 0 0 306.369 2.107 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC[C@H]1c1nc2c(n1C)CCCC2 ZINC000282302861 526677479 /nfs/dbraw/zinc/67/74/79/526677479.db2.gz MIGJZYGEWYJLBO-HNNXBMFYSA-N 0 0 323.462 2.342 10 30 DEEERN C#CCCCCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191529033 526690569 /nfs/dbraw/zinc/69/05/69/526690569.db2.gz ZTJNVNUEKKLWOT-INIZCTEOSA-N 0 0 316.376 2.236 10 30 DEEERN C#CCCCCC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000374233666 526690768 /nfs/dbraw/zinc/69/07/68/526690768.db2.gz YWBGVPQADPPWJZ-RDJZCZTQSA-N 0 0 312.413 2.486 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H](CO)c1nc(-c2ccccc2)no1 ZINC000375990462 526701718 /nfs/dbraw/zinc/70/17/18/526701718.db2.gz BSZJYIQZCWNAAU-TZMCWYRMSA-N 0 0 315.373 2.489 10 30 DEEERN C=C(C)Cn1c(CC(C)C)nnc1N(CCOC)[C@@H]1CCOC1 ZINC000359237022 526727568 /nfs/dbraw/zinc/72/75/68/526727568.db2.gz XFQMOZCZURKIHW-OAHLLOKOSA-N 0 0 322.453 2.294 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(CC)CC1CC1 ZINC000292739262 526736667 /nfs/dbraw/zinc/73/66/67/526736667.db2.gz ADFSYJOXPKFJTR-AWEZNQCLSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCOCCCC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000362016578 526738502 /nfs/dbraw/zinc/73/85/02/526738502.db2.gz ARQBKUQUKSYEPQ-AWEZNQCLSA-N 0 0 305.374 2.316 10 30 DEEERN C=CCOCCCC(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000369760448 526741780 /nfs/dbraw/zinc/74/17/80/526741780.db2.gz OTXXRNIBWIBABM-OAHLLOKOSA-N 0 0 305.422 2.420 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCC[C@H](NC(=O)CCC)C1)OCC ZINC000339201754 526743967 /nfs/dbraw/zinc/74/39/67/526743967.db2.gz WSHXHPPZTFKLOC-LSDHHAIUSA-N 0 0 310.438 2.265 10 30 DEEERN C=CCOCCNC(=O)N1CCC(n2cc(Cl)cn2)CC1 ZINC000369995835 526773806 /nfs/dbraw/zinc/77/38/06/526773806.db2.gz LPQQENRJXDWGHE-UHFFFAOYSA-N 0 0 312.801 2.086 10 30 DEEERN C=CCOCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000369984271 526780924 /nfs/dbraw/zinc/78/09/24/526780924.db2.gz KSZBOGRNBHXRRU-GFCCVEGCSA-N 0 0 322.792 2.012 10 30 DEEERN C=CCOc1ccc(C(=O)N2C[C@@H](O)CC[C@@H]2C)cc1OC ZINC000422021474 526843494 /nfs/dbraw/zinc/84/34/94/526843494.db2.gz YKBKPGIPIFPLAH-JSGCOSHPSA-N 0 0 305.374 2.245 10 30 DEEERN C=CCOc1ccc(CN2CCO[C@H]([C@H](C)O)C2)cc1Cl ZINC000414561825 526869398 /nfs/dbraw/zinc/86/93/98/526869398.db2.gz AGHDHGFZWUYGAX-LRDDRELGSA-N 0 0 311.809 2.486 10 30 DEEERN C=C1CCN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000342087299 526896699 /nfs/dbraw/zinc/89/66/99/526896699.db2.gz BAJAHHUAQAFOBY-ZDUSSCGKSA-N 0 0 320.339 2.496 10 30 DEEERN C=CC(C)(C)CNC(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC000417434185 526953028 /nfs/dbraw/zinc/95/30/28/526953028.db2.gz WTOBJQDFLUDWCZ-CQSZACIVSA-N 0 0 303.362 2.245 10 30 DEEERN C=CC1CCN(C(=O)NCc2cccnc2-n2ccnc2)CC1 ZINC000111450625 526966990 /nfs/dbraw/zinc/96/69/90/526966990.db2.gz SWPNJYDWJVEBSN-UHFFFAOYSA-N 0 0 311.389 2.375 10 30 DEEERN C=CCC(C)(C)CNC(=O)COc1cccc(C(=O)NC)c1 ZINC000352544979 527003361 /nfs/dbraw/zinc/00/33/61/527003361.db2.gz FLJLTXXDFWFQSO-UHFFFAOYSA-N 0 0 304.390 2.144 10 30 DEEERN C=CCC(C)(C)CNC(=O)NCCNC(=O)c1ccccc1 ZINC000292412079 527007630 /nfs/dbraw/zinc/00/76/30/527007630.db2.gz DQWAMJDYMNVLBC-UHFFFAOYSA-N 0 0 303.406 2.318 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@@H]1C[C@H](OCC)[C@@H]1n1cccn1 ZINC000342027178 527030574 /nfs/dbraw/zinc/03/05/74/527030574.db2.gz PWNVELPLRJHWKP-OWCLPIDISA-N 0 0 303.406 2.486 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000374269247 527041760 /nfs/dbraw/zinc/04/17/60/527041760.db2.gz ARQMJFMGAQXQRV-CQSZACIVSA-N 0 0 306.385 2.407 10 30 DEEERN C=CCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000338665697 527074876 /nfs/dbraw/zinc/07/48/76/527074876.db2.gz WKAGKUFVSLFJKU-ZIAGYGMSSA-N 0 0 303.406 2.278 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cccc(COC2CCOCC2)c1 ZINC000337034928 527099064 /nfs/dbraw/zinc/09/90/64/527099064.db2.gz ICQUKCDZBNLXCR-INIZCTEOSA-N 0 0 319.401 2.049 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000337044858 527101161 /nfs/dbraw/zinc/10/11/61/527101161.db2.gz FADGDDWSIYVGDF-LBPRGKRZSA-N 0 0 305.765 2.193 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC(=O)N(CC)C1 ZINC000416718626 527106629 /nfs/dbraw/zinc/10/66/29/527106629.db2.gz DPQQMWHGGRFGMJ-HNNXBMFYSA-N 0 0 301.390 2.005 10 30 DEEERN C#CCOc1ccccc1NC(=O)N1CCO[C@H](C2CC2)C1 ZINC000373602097 527132631 /nfs/dbraw/zinc/13/26/31/527132631.db2.gz RFYITLOCIICGQP-INIZCTEOSA-N 0 0 300.358 2.341 10 30 DEEERN C=CC[C@H](CC)NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000337103002 527144778 /nfs/dbraw/zinc/14/47/78/527144778.db2.gz XQCNZTZFAFPONO-SFHVURJKSA-N 0 0 315.461 2.275 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1CCC(Oc2cnccn2)CC1 ZINC000374186518 527147306 /nfs/dbraw/zinc/14/73/06/527147306.db2.gz HYHUPBTUDVCLOR-ZDUSSCGKSA-N 0 0 304.394 2.384 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC(F)(F)C[C@H]1CO ZINC000377251082 527160413 /nfs/dbraw/zinc/16/04/13/527160413.db2.gz FFCKZNFKBSLRPX-GJZGRUSLSA-N 0 0 322.355 2.033 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC000367349951 527161930 /nfs/dbraw/zinc/16/19/30/527161930.db2.gz WIUWIHFBQGTZSG-SJORKVTESA-N 0 0 307.397 2.196 10 30 DEEERN C=CC[C@H](CO)CNC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000342219269 527169384 /nfs/dbraw/zinc/16/93/84/527169384.db2.gz YOZWDIYFYLACMA-LBPRGKRZSA-N 0 0 317.307 2.429 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCOC[C@@H]1C1CC1 ZINC000288244735 527172713 /nfs/dbraw/zinc/17/27/13/527172713.db2.gz SJYHMABQYANCDR-QZTJIDSGSA-N 0 0 312.413 2.441 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCOC1(C)C ZINC000296738598 527173405 /nfs/dbraw/zinc/17/34/05/527173405.db2.gz XNNBHSFYTMAODB-CVEARBPZSA-N 0 0 300.402 2.488 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCCc2ccccc2C1 ZINC000297790544 527174510 /nfs/dbraw/zinc/17/45/10/527174510.db2.gz RFQZTTIYUGLVPC-UHFFFAOYSA-N 0 0 300.402 2.386 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@@H]1COc2c1ccc(C)c2C ZINC000341816046 527175259 /nfs/dbraw/zinc/17/52/59/527175259.db2.gz ADRRYIMVGUPVDE-DZGCQCFKSA-N 0 0 304.390 2.221 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](c1ncc(C)s1)C1CC1 ZINC000359043584 527179139 /nfs/dbraw/zinc/17/91/39/527179139.db2.gz VQOAETPFNLKYMV-CYBMUJFWSA-N 0 0 321.446 2.443 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCc1c(C)[nH]c2ccccc21 ZINC000183300220 527196264 /nfs/dbraw/zinc/19/62/64/527196264.db2.gz BVIBUWBHSIAYQT-CYBMUJFWSA-N 0 0 301.390 2.255 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000183058037 527197124 /nfs/dbraw/zinc/19/71/24/527197124.db2.gz VOKTWGIEAROQNF-QWHCGFSZSA-N 0 0 322.405 2.309 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccc(F)cc1CSC ZINC000344327249 527197644 /nfs/dbraw/zinc/19/76/44/527197644.db2.gz OWGWSJSSGKOZRK-CQSZACIVSA-N 0 0 312.410 2.425 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccccc1OC(F)F ZINC000182849715 527197677 /nfs/dbraw/zinc/19/76/77/527197677.db2.gz WRRBDCJQQNIQML-LLVKDONJSA-N 0 0 300.305 2.024 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc2ccn(CCOC)c2c1 ZINC000183632271 527202519 /nfs/dbraw/zinc/20/25/19/527202519.db2.gz UQILARJXCDEVAE-OAHLLOKOSA-N 0 0 317.389 2.346 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccnn1-c1ccccc1C ZINC000183772228 527203566 /nfs/dbraw/zinc/20/35/66/527203566.db2.gz PLGYNWUBPNSYSZ-CYBMUJFWSA-N 0 0 300.362 2.239 10 30 DEEERN C=CCCCNC(=O)C(=O)N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000342516888 527203954 /nfs/dbraw/zinc/20/39/54/527203954.db2.gz URLIILZUQJFVGW-SFHVURJKSA-N 0 0 318.392 2.398 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000413303429 527219752 /nfs/dbraw/zinc/21/97/52/527219752.db2.gz QICQMUDXRAXQNQ-CVEARBPZSA-N 0 0 315.417 2.094 10 30 DEEERN C=CCc1cc(C(=O)N(C)CCCCO)cc(OC)c1OC ZINC000351767605 527230854 /nfs/dbraw/zinc/23/08/54/527230854.db2.gz UDPPUCQYHSYYSE-UHFFFAOYSA-N 0 0 307.390 2.277 10 30 DEEERN C=CCc1ccc(OCC(=O)Nc2nccn2C)c(OC)c1 ZINC000412738619 527254108 /nfs/dbraw/zinc/25/41/08/527254108.db2.gz PXBJHTLOZHUWIU-UHFFFAOYSA-N 0 0 301.346 2.175 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000328778461 527306189 /nfs/dbraw/zinc/30/61/89/527306189.db2.gz GFFMYEZPGZSOFD-PBHICJAKSA-N 0 0 302.422 2.473 10 30 DEEERN C=CCCN(C)C(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000342013372 527314966 /nfs/dbraw/zinc/31/49/66/527314966.db2.gz DELDLUCHFCYFRM-CYBMUJFWSA-N 0 0 324.446 2.075 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N(C)CC1CCCC1 ZINC000282194462 527359752 /nfs/dbraw/zinc/35/97/52/527359752.db2.gz GMNJDHOIPNCRBU-CQSZACIVSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCCCCCC1 ZINC000289736843 527360786 /nfs/dbraw/zinc/36/07/86/527360786.db2.gz QGVOWWJHGAXVFP-CQSZACIVSA-N 0 0 306.410 2.323 10 30 DEEERN C=CCCS(=O)(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000120227035 527414701 /nfs/dbraw/zinc/41/47/01/527414701.db2.gz YDCNLERYZVBFMS-CQSZACIVSA-N 0 0 324.446 2.017 10 30 DEEERN C=CCC[C@@H](C(=O)N1CCCNC(=O)[C@H]1C)c1ccccc1 ZINC000189235532 527422790 /nfs/dbraw/zinc/42/27/90/527422790.db2.gz YZEQLSRHGWDEMF-GDBMZVCRSA-N 0 0 300.402 2.473 10 30 DEEERN C#Cc1cccc(N(CC)C(=O)C[C@@H]2CCOC[C@H]2OC)c1 ZINC000294484904 527440946 /nfs/dbraw/zinc/44/09/46/527440946.db2.gz GABGAMMROUGHPV-DOTOQJQBSA-N 0 0 301.386 2.462 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)Nc2ccnn2[C@@H](C)C2CC2)c1 ZINC000192080628 527448540 /nfs/dbraw/zinc/44/85/40/527448540.db2.gz MUHJHOPFVBANBI-LBPRGKRZSA-N 0 0 322.368 2.413 10 30 DEEERN C=CCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000410802219 527555608 /nfs/dbraw/zinc/55/56/08/527555608.db2.gz OOUNUTSAKGMNQI-IUODEOHRSA-N 0 0 304.365 2.380 10 30 DEEERN C=C[C@H](C)NC(=O)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000356223023 527558694 /nfs/dbraw/zinc/55/86/94/527558694.db2.gz MDVVSSARZGRMLG-LSDHHAIUSA-N 0 0 319.449 2.385 10 30 DEEERN C=CCN(CC=C)C(=O)CSCc1cnc(OC)nc1C ZINC000358455806 527618810 /nfs/dbraw/zinc/61/88/10/527618810.db2.gz QEWNHIBSFGZYRC-UHFFFAOYSA-N 0 0 307.419 2.227 10 30 DEEERN C=CCN(CCC#N)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000428851804 527659186 /nfs/dbraw/zinc/65/91/86/527659186.db2.gz SUKCCGNDLMCKGM-GFCCVEGCSA-N 0 0 303.328 2.189 10 30 DEEERN CC1(C)OCC[C@H]1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000295203732 527812742 /nfs/dbraw/zinc/81/27/42/527812742.db2.gz FOVDEMMNAOVAKQ-GFCCVEGCSA-N 0 0 314.794 2.057 10 30 DEEERN CCCCCCCS(=O)(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000195248506 528135914 /nfs/dbraw/zinc/13/59/14/528135914.db2.gz KXOOQYYDKYONOQ-CQSZACIVSA-N 0 0 314.455 2.215 10 30 DEEERN CCCCNC(=O)[C@H]1CCCN(c2ccc(C)c(C#N)n2)C1 ZINC000302674088 528542582 /nfs/dbraw/zinc/54/25/82/528542582.db2.gz SYNYHQHKUGVECE-AWEZNQCLSA-N 0 0 300.406 2.394 10 30 DEEERN CCOC(=O)C1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000441000618 528636091 /nfs/dbraw/zinc/63/60/91/528636091.db2.gz BKFHFSXURBNWHA-UHFFFAOYSA-N 0 0 321.421 2.301 10 30 DEEERN CCOCCOCCN(C)C(=O)NCC1CCC(C#N)CC1 ZINC000442731460 528796083 /nfs/dbraw/zinc/79/60/83/528796083.db2.gz UPTHUEHXIIOEQQ-UHFFFAOYSA-N 0 0 311.426 2.011 10 30 DEEERN CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC[C@H](C)C1 ZINC000358592080 535957886 /nfs/dbraw/zinc/95/78/86/535957886.db2.gz JBXRGDXTQGKQNH-CYBMUJFWSA-N 0 0 311.389 2.309 10 30 DEEERN C#CCNC(=O)[C@H](C)Nc1ccc(OCc2cccnc2)cc1 ZINC000103165329 625358972 /nfs/dbraw/zinc/35/89/72/625358972.db2.gz CMAPBRMYUCTFIZ-AWEZNQCLSA-N 0 0 309.369 2.210 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cnc(Br)cn1 ZINC000278432949 625469200 /nfs/dbraw/zinc/46/92/00/625469200.db2.gz ZMVIKXDMPISPOH-LDYMZIIASA-N 0 0 312.167 2.159 10 30 DEEERN C#CCOc1ccccc1NC(=O)c1cnn2ccc(C)nc12 ZINC000187165014 622726507 /nfs/dbraw/zinc/72/65/07/622726507.db2.gz OJMLIMBFEIZBGA-UHFFFAOYSA-N 0 0 306.325 2.302 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)Nc1nnnn1-c1ccccc1 ZINC000804808709 623250019 /nfs/dbraw/zinc/25/00/19/623250019.db2.gz WJJUTQJUVVMBOB-INIZCTEOSA-N 0 0 303.369 2.131 10 30 DEEERN Cc1cc(COCC(=O)Nc2ccccc2O[C@@H](C)C#N)on1 ZINC000193859448 625668767 /nfs/dbraw/zinc/66/87/67/625668767.db2.gz DUTJPBPPEXYAON-LBPRGKRZSA-N 0 0 315.329 2.429 10 30 DEEERN N#Cc1ccccc1/C=C\C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000255269869 624075002 /nfs/dbraw/zinc/07/50/02/624075002.db2.gz FIZZULUIGWGTHX-ZPUOCTKUSA-N 0 0 306.369 2.459 10 30 DEEERN C=C(C)CS(=O)(=O)NCc1nc2ccccc2n1CCC ZINC000223441638 624717218 /nfs/dbraw/zinc/71/72/18/624717218.db2.gz AFAKBUOKTAHBQX-UHFFFAOYSA-N 0 0 307.419 2.442 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)[C@@H]1CSCN1C(C)=O ZINC000121916092 625035541 /nfs/dbraw/zinc/03/55/41/625035541.db2.gz HBULZKBXAOKLHR-ZDUSSCGKSA-N 0 0 310.444 2.184 10 30 DEEERN C#CCNC(=O)COC(=O)[C@@H](CC)Oc1ccccc1C(C)C ZINC000733548666 633223832 /nfs/dbraw/zinc/22/38/32/633223832.db2.gz PSSWMAWAGMNCDN-OAHLLOKOSA-N 0 0 317.385 2.260 10 30 DEEERN C=C(Cn1cnc2sc3c(c2c1=O)CCC3)C(=O)OCC ZINC000733870637 633291544 /nfs/dbraw/zinc/29/15/44/633291544.db2.gz VQRMSRZTWCSKMJ-UHFFFAOYSA-N 0 0 304.371 2.066 10 30 DEEERN C=C(COC(=O)c1nc(SC)n2ccccc12)C(=O)OCC ZINC000734027999 633313178 /nfs/dbraw/zinc/31/31/78/633313178.db2.gz ANPUICGOFAIBLL-UHFFFAOYSA-N 0 0 320.370 2.332 10 30 DEEERN C=C(COC(=O)c1cc(OC)c(C)c(OC)c1)C(=O)OCC ZINC000734023780 633316674 /nfs/dbraw/zinc/31/66/74/633316674.db2.gz CCULVHOSXAXQSZ-UHFFFAOYSA-N 0 0 308.330 2.288 10 30 DEEERN C=C(COC(=O)c1ccc(OCC)c(OC)c1)C(=O)OCC ZINC000734024112 633316973 /nfs/dbraw/zinc/31/69/73/633316973.db2.gz GXWOFRKVEIIWCL-UHFFFAOYSA-N 0 0 308.330 2.370 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)OCCCOCC)cc2C1=O ZINC000735601131 633520248 /nfs/dbraw/zinc/52/02/48/633520248.db2.gz JPVHFVFUNNQICO-UHFFFAOYSA-N 0 0 317.341 2.052 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cc(C)nn1CC ZINC000726018716 635654685 /nfs/dbraw/zinc/65/46/85/635654685.db2.gz AZEPVZAOHDZXBD-ZDUSSCGKSA-N 0 0 307.394 2.181 10 30 DEEERN C=CCn1cnc2oc(C)c(C(=O)N3CCC[C@H](C)C3)c2c1=O ZINC000222768400 636375289 /nfs/dbraw/zinc/37/52/89/636375289.db2.gz WCVPHEAQIJPGKD-NSHDSACASA-N 0 0 315.373 2.356 10 30 DEEERN COc1c2cnn(C)c2ncc1C(=O)OCC#Cc1ccccc1 ZINC000181512050 637510531 /nfs/dbraw/zinc/51/05/31/637510531.db2.gz MRKQEADMOMFUEW-UHFFFAOYSA-N 0 0 321.336 2.185 10 30 DEEERN C#CCNC(=O)[C@H](C)OC(=O)[C@H](Sc1ccccc1)C(C)C ZINC000727212342 637781731 /nfs/dbraw/zinc/78/17/31/637781731.db2.gz IHYGUBXXFCZBPH-DZGCQCFKSA-N 0 0 319.426 2.484 10 30 DEEERN C[C@H](CCc1ccco1)Nc1ccc(S(N)(=O)=O)cc1C#N ZINC000742175146 638040498 /nfs/dbraw/zinc/04/04/98/638040498.db2.gz NKPROLXRNRXUMK-LLVKDONJSA-N 0 0 319.386 2.232 10 30 DEEERN COc1ccc(CNC(=S)NCCCSC)cc1C#N ZINC000746532386 638353857 /nfs/dbraw/zinc/35/38/57/638353857.db2.gz JWDAFJZSFAPIGS-UHFFFAOYSA-N 0 0 309.460 2.284 10 30 DEEERN N#C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CCN1C1CC1 ZINC000746672265 638368652 /nfs/dbraw/zinc/36/86/52/638368652.db2.gz NSENCNDFXNOHPY-AWEZNQCLSA-N 0 0 320.780 2.420 10 30 DEEERN C=CCNC(=O)c1ccc(NCc2ccc(OC)c(C#N)c2)nc1 ZINC000746709681 638371491 /nfs/dbraw/zinc/37/14/91/638371491.db2.gz FODSXUTWJONGQH-UHFFFAOYSA-N 0 0 322.368 2.490 10 30 DEEERN COc1ccc(CNC(=O)NC[C@H]2CCCS2)cc1C#N ZINC000746748049 638374685 /nfs/dbraw/zinc/37/46/85/638374685.db2.gz NHNIADYXHDJSLC-CYBMUJFWSA-N 0 0 305.403 2.262 10 30 DEEERN COc1ccc(CNC(=O)NC2CCC(C)(O)CC2)cc1C#N ZINC000746748133 638374720 /nfs/dbraw/zinc/37/47/20/638374720.db2.gz OYCDXQCXKLFUTF-UHFFFAOYSA-N 0 0 317.389 2.060 10 30 DEEERN CCOC1CCN(C(=O)NCc2ccc(OC)c(C#N)c2)CC1 ZINC000746775755 638377317 /nfs/dbraw/zinc/37/73/17/638377317.db2.gz QJUAFFANDPSQDE-UHFFFAOYSA-N 0 0 317.389 2.277 10 30 DEEERN COc1ccc(CNC(=O)N(C)Cc2cscn2)cc1C#N ZINC000746782749 638377541 /nfs/dbraw/zinc/37/75/41/638377541.db2.gz ZBDCZYRIFLNDCT-UHFFFAOYSA-N 0 0 316.386 2.365 10 30 DEEERN CC[C@@H]1CN(C(=O)NCc2ccc(OC)c(C#N)c2)C[C@@H](C)O1 ZINC000746785682 638377654 /nfs/dbraw/zinc/37/76/54/638377654.db2.gz TXSCFPUPFNNFCA-IUODEOHRSA-N 0 0 317.389 2.276 10 30 DEEERN COc1ccc(CNC(=O)[C@@H](C)Oc2cccnc2)cc1C#N ZINC000746878827 638383544 /nfs/dbraw/zinc/38/35/44/638383544.db2.gz WBRIWNTXPFNCKV-GFCCVEGCSA-N 0 0 311.341 2.046 10 30 DEEERN C[C@@](O)(CNC(=O)Cc1cccc(C#N)c1)c1ccsc1 ZINC000749414901 638646222 /nfs/dbraw/zinc/64/62/22/638646222.db2.gz XLVRUYDMVMBYNV-MRXNPFEDSA-N 0 0 300.383 2.186 10 30 DEEERN N#Cc1cccc(CC(=O)NC[C@H](O)c2c(F)cccc2F)c1 ZINC000749538240 638658194 /nfs/dbraw/zinc/65/81/94/638658194.db2.gz MUBRJDRQTFWFIK-HNNXBMFYSA-N 0 0 316.307 2.229 10 30 DEEERN C=CCNC(=O)[C@@H](C)OC(=O)c1sc([C@@H](C)OC)nc1C ZINC000750448033 638745538 /nfs/dbraw/zinc/74/55/38/638745538.db2.gz PHVOJZAIZXDXBU-NXEZZACHSA-N 0 0 312.391 2.006 10 30 DEEERN C#CC[C@H](OC(=O)Cc1ccc(S(=O)(=O)CC)cc1)C1CC1 ZINC000750777379 639026785 /nfs/dbraw/zinc/02/67/85/639026785.db2.gz DMXUEIBKQYDSEP-INIZCTEOSA-N 0 0 320.410 2.368 10 30 DEEERN C/C(=C\C(=O)Nc1cnn(CC#N)c1)c1ccc([N+](=O)[O-])cc1 ZINC000751751874 639117037 /nfs/dbraw/zinc/11/70/37/639117037.db2.gz PANZJYLUJFDHFX-DHZHZOJOSA-N 0 0 311.301 2.357 10 30 DEEERN C=CCCOC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000752169224 639160233 /nfs/dbraw/zinc/16/02/33/639160233.db2.gz WNIJDRUDSLHIGC-LBPRGKRZSA-N 0 0 311.403 2.160 10 30 DEEERN C=CCNC(=S)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000728791218 639382803 /nfs/dbraw/zinc/38/28/03/639382803.db2.gz JLVLNEXBXXZMMZ-UHFFFAOYSA-N 0 0 301.415 2.462 10 30 DEEERN C#CCCCS(=O)(=O)N[C@@H](CCC(C)(C)C)C(=O)OCC ZINC000805061692 639424334 /nfs/dbraw/zinc/42/43/34/639424334.db2.gz LRUBAULZFNVXTQ-ZDUSSCGKSA-N 0 0 317.451 2.077 10 30 DEEERN C#Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)cn1 ZINC000728861396 639546412 /nfs/dbraw/zinc/54/64/12/639546412.db2.gz PHPKTQDKBWUWKW-UHFFFAOYSA-N 0 0 305.381 2.462 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1cccc(C(=O)OCC)c1)C(C)(C)C ZINC000805146489 639839573 /nfs/dbraw/zinc/83/95/73/639839573.db2.gz IRYYPYQVRZVXFI-AWEZNQCLSA-N 0 0 323.414 2.190 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1cnc(Cl)c(C)c1)C(C)(C)C ZINC000805147478 639843003 /nfs/dbraw/zinc/84/30/03/639843003.db2.gz YKBABAQPMMBYCP-NSHDSACASA-N 0 0 300.811 2.370 10 30 DEEERN C#CCOc1ccc(NC(=O)CO[C@H](C)c2nccn2C)cc1 ZINC000805182108 640071016 /nfs/dbraw/zinc/07/10/16/640071016.db2.gz VANWGOOTHOMPEJ-CYBMUJFWSA-N 0 0 313.357 2.148 10 30 DEEERN C=CCNC(=O)[C@@H](C)OC(=O)CCC(=O)c1ccc(CC)cc1 ZINC000729344517 640489434 /nfs/dbraw/zinc/48/94/34/640489434.db2.gz DRZDPDLZJCCYIR-CYBMUJFWSA-N 0 0 317.385 2.446 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1nnc(C)s1 ZINC000805276465 640582478 /nfs/dbraw/zinc/58/24/78/640582478.db2.gz YLXOTOJPSDHSNL-AWEZNQCLSA-N 0 0 314.414 2.280 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)c1nc(C)sc1C ZINC000179251988 640615134 /nfs/dbraw/zinc/61/51/34/640615134.db2.gz UBCMHJHGAURKQL-UHFFFAOYSA-N 0 0 313.382 2.375 10 30 DEEERN C#CCN1CCC[C@@H]1COC(=O)c1ccc(OC(C)C)nc1 ZINC000729812008 640844020 /nfs/dbraw/zinc/84/40/20/640844020.db2.gz IZGVCXIFWGPJCZ-OAHLLOKOSA-N 0 0 302.374 2.123 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](CO)CC1CC1 ZINC000805781883 643247842 /nfs/dbraw/zinc/24/78/42/643247842.db2.gz DIZCPYPKQKUUPC-IAGOWNOFSA-N 0 0 300.402 2.081 10 30 DEEERN C=CCCCCCCNC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000806005233 644186656 /nfs/dbraw/zinc/18/66/56/644186656.db2.gz FASSVCQMBQQMOC-UHFFFAOYSA-N 0 0 316.467 2.342 10 30 DEEERN C#CCNC(=O)[C@H](C)OC(=O)c1cnccc1Oc1ccccc1 ZINC000800271815 645249403 /nfs/dbraw/zinc/24/94/03/645249403.db2.gz FFVLQDBTODQQKO-ZDUSSCGKSA-N 0 0 324.336 2.169 10 30 DEEERN C=C[C@H](C(=O)OC)N1CCC(O)(c2cccc(C)c2C)CC1 ZINC000800344581 645259895 /nfs/dbraw/zinc/25/98/95/645259895.db2.gz CXYAUULNJORBPE-MRXNPFEDSA-N 0 0 303.402 2.314 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)COCc1cc(C)no1 ZINC000800902036 645318685 /nfs/dbraw/zinc/31/86/85/645318685.db2.gz RZSIPQFUQLREDN-UHFFFAOYSA-N 0 0 318.304 2.289 10 30 DEEERN C=C(COC(=O)[C@](C)(O)CCc1ccccc1)C(=O)OCC ZINC000801493955 645405215 /nfs/dbraw/zinc/40/52/15/645405215.db2.gz OIUKTGWIMNKNMS-QGZVFWFLSA-N 0 0 306.358 2.033 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N[C@H]1CSC1(C)C ZINC000801753727 645437651 /nfs/dbraw/zinc/43/76/51/645437651.db2.gz PWCUIGRCEHUUMK-AWEZNQCLSA-N 0 0 304.415 2.392 10 30 DEEERN C#CC[C@H](NC(=O)Nc1ccncc1N(C)C)c1ccccc1 ZINC000801926185 645464012 /nfs/dbraw/zinc/46/40/12/645464012.db2.gz BEGYJGNGWUNPSA-HNNXBMFYSA-N 0 0 308.385 2.456 10 30 DEEERN C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@@H](C)[C@H](F)C2)c(F)c1 ZINC000802565510 645534941 /nfs/dbraw/zinc/53/49/41/645534941.db2.gz YNARYSPSKVPYPX-NOZJJQNGSA-N 0 0 324.302 2.091 10 30 DEEERN C#C[C@H](C)Oc1ccc(COC(=O)c2cccn(C)c2=O)cc1 ZINC000802808428 645561702 /nfs/dbraw/zinc/56/17/02/645561702.db2.gz JXYQNFBOORSXDX-ZDUSSCGKSA-N 0 0 311.337 2.143 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)c1ccc(OC)c(OC)c1 ZINC000803699670 645681595 /nfs/dbraw/zinc/68/15/95/645681595.db2.gz LVUBTJTXNHLTBY-UHFFFAOYSA-N 0 0 314.337 2.093 10 30 DEEERN C#CCC(CC#C)C(=O)OCCOc1ccccc1C(=O)OC ZINC000803700423 645682531 /nfs/dbraw/zinc/68/25/31/645682531.db2.gz PBZRVEMRLFGWTJ-UHFFFAOYSA-N 0 0 314.337 2.058 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC000804459198 645773959 /nfs/dbraw/zinc/77/39/59/645773959.db2.gz SCINNGOZYYFHJO-LPHOPBHVSA-N 0 0 312.413 2.186 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)c2ncc(SC)cn2)c1 ZINC000804561937 645790463 /nfs/dbraw/zinc/79/04/63/645790463.db2.gz BBLFEDKXMKGLMC-UHFFFAOYSA-N 0 0 312.398 2.255 10 30 DEEERN C=CC[C@H](CO)Nc1cc(C(F)(F)F)c(C(=O)OC)cn1 ZINC000804614568 645796088 /nfs/dbraw/zinc/79/60/88/645796088.db2.gz QWVJSCHRHAPWLD-MRVPVSSYSA-N 0 0 304.268 2.236 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@H](C(=O)OC)c1ccc(C)cc1 ZINC000806816863 645875168 /nfs/dbraw/zinc/87/51/68/645875168.db2.gz NTOQEXHDFWIMDY-KRWDZBQOSA-N 0 0 311.381 2.031 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc2c(c1)CCC(=O)N2COC ZINC000807332368 645940051 /nfs/dbraw/zinc/94/00/51/645940051.db2.gz UYYBERGUHMEMOG-UHFFFAOYSA-N 0 0 324.380 2.171 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCC1(CCO)CC1 ZINC000807466232 645953626 /nfs/dbraw/zinc/95/36/26/645953626.db2.gz QBUZODBQVPYBLN-MRXNPFEDSA-N 0 0 300.402 2.083 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1(CO)CCC1 ZINC000807469036 645954129 /nfs/dbraw/zinc/95/41/29/645954129.db2.gz FFKIOYLBFCPJRO-INIZCTEOSA-N 0 0 300.402 2.083 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCOC[C@H]1CC ZINC000807469209 645954540 /nfs/dbraw/zinc/95/45/40/645954540.db2.gz FMOCXCGEODTLOK-DLBZAZTESA-N 0 0 300.402 2.441 10 30 DEEERN CCCCCCNC(=O)[C@H](C#N)C(=O)[C@H](C)C1CCOCC1 ZINC000165407022 646496873 /nfs/dbraw/zinc/49/68/73/646496873.db2.gz AJQKHDWTNBAHRM-UKRRQHHQSA-N 0 0 308.422 2.454 10 30 DEEERN C#CCN(CC#C)C(=O)CSc1nccn1-c1ccccc1C ZINC000075399374 646527183 /nfs/dbraw/zinc/52/71/83/646527183.db2.gz BMHDLVMSSGAEKP-UHFFFAOYSA-N 0 0 323.421 2.368 10 30 DEEERN Cc1nn(C)c(C)c1C(=O)/C=C/c1cnc2ccc(C#N)cn12 ZINC000172522899 646741178 /nfs/dbraw/zinc/74/11/78/646741178.db2.gz MSTNKOPDXGPXNO-AATRIKPKSA-N 0 0 305.341 2.452 10 30 DEEERN C#CCN1CCN(C(=O)c2ccc(F)c(CSC)c2)CC1 ZINC000174229919 646798446 /nfs/dbraw/zinc/79/84/46/646798446.db2.gz MNHUZVJIEXQKOH-UHFFFAOYSA-N 0 0 306.406 2.080 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000730272306 646881740 /nfs/dbraw/zinc/88/17/40/646881740.db2.gz BWQFBFLXUJCNEG-DOMZBBRYSA-N 0 0 304.365 2.109 10 30 DEEERN C#C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)C1CC1 ZINC000152705741 647251586 /nfs/dbraw/zinc/25/15/86/647251586.db2.gz ICHXRMHPIKDMIH-LSDHHAIUSA-N 0 0 317.410 2.237 10 30 DEEERN C#C[C@@H](OC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1)C1CC1 ZINC000152798224 647279620 /nfs/dbraw/zinc/27/96/20/647279620.db2.gz FJDVHKDNLOBUET-IGDQZBHYSA-N 0 0 303.402 2.369 10 30 DEEERN C#Cc1ccc(C(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)cn1 ZINC000732085150 647540542 /nfs/dbraw/zinc/54/05/42/647540542.db2.gz KIAFOZGVNNHYBX-CQSZACIVSA-N 0 0 321.384 2.009 10 30 DEEERN COc1ccc(NC(=S)N2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000732625843 647632834 /nfs/dbraw/zinc/63/28/34/647632834.db2.gz OKEBXJBVEOABCY-CQSZACIVSA-N 0 0 316.430 2.064 10 30 DEEERN C[C@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccc(C#N)cc1 ZINC000732675474 647640668 /nfs/dbraw/zinc/64/06/68/647640668.db2.gz YYMDUYYFZVOQNT-SUMWQHHRSA-N 0 0 323.400 2.001 10 30 DEEERN C=CCc1cc(OC)cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c1O ZINC000184269865 649252421 /nfs/dbraw/zinc/25/24/21/649252421.db2.gz PXSXSPWDLZHLJH-GOSISDBHSA-N 0 0 319.401 2.121 10 30 DEEERN O=C(OCC#Cc1ccccc1)c1cccc(-n2cncn2)c1 ZINC000115908049 652264810 /nfs/dbraw/zinc/26/48/10/652264810.db2.gz AWRVYUQWIXSHNV-UHFFFAOYSA-N 0 0 303.321 2.476 10 30 DEEERN C=CCc1cc(OC)cc(CN(C)CC(=O)NC(C)(C)C)c1O ZINC000111891455 652639850 /nfs/dbraw/zinc/63/98/50/652639850.db2.gz DEBLOQUUQWLYSN-UHFFFAOYSA-N 0 0 320.433 2.476 10 30 DEEERN CC(=O)N(CCC(=O)O[C@H](C#N)C1CC1)Cc1ccccc1 ZINC000080414225 683982532 /nfs/dbraw/zinc/98/25/32/683982532.db2.gz KEPKSDQOTFXUMD-MRXNPFEDSA-N 0 0 300.358 2.271 10 30 DEEERN C#CCN(Cc1coc2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000092193351 684040832 /nfs/dbraw/zinc/04/08/32/684040832.db2.gz BYMUTWTZSPPZDW-AWEZNQCLSA-N 0 0 303.383 2.055 10 30 DEEERN C=CCn1c(C)nn(CN2CC[C@@H](c3cnn(C)c3)C2)c1=S ZINC000116259202 684064139 /nfs/dbraw/zinc/06/41/39/684064139.db2.gz OBWRSWDYFREDAE-CYBMUJFWSA-N 0 0 318.450 2.089 10 30 DEEERN C#CCCCOC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000116593915 684065533 /nfs/dbraw/zinc/06/55/33/684065533.db2.gz PGMUVBDLDNKBJR-DOTOQJQBSA-N 0 0 315.369 2.171 10 30 DEEERN N#C[C@H](C(=O)C[C@H]1CCOc2ccccc21)C(=O)N1CCCC1 ZINC000118141788 684070015 /nfs/dbraw/zinc/07/00/15/684070015.db2.gz GGHBVJKSOYMQAN-UKRRQHHQSA-N 0 0 312.369 2.274 10 30 DEEERN CC(C)(C)OC(=O)CSCC(=O)[C@@H](C#N)c1ccccn1 ZINC000122270063 684114137 /nfs/dbraw/zinc/11/41/37/684114137.db2.gz VUHOQAKJPQMXHT-NSHDSACASA-N 0 0 306.387 2.333 10 30 DEEERN N#Cc1ccc(OC(=O)Cn2ccc(=O)c3ccccc32)cc1 ZINC000123369501 684124850 /nfs/dbraw/zinc/12/48/50/684124850.db2.gz DVQACWSOHOQRRI-UHFFFAOYSA-N 0 0 304.305 2.479 10 30 DEEERN C=CCOc1ccc(C(=O)OC[C@@H]2CC(=O)N(CC)C2)cc1 ZINC000123696282 684127800 /nfs/dbraw/zinc/12/78/00/684127800.db2.gz YTLULQCEFNOUBG-CYBMUJFWSA-N 0 0 303.358 2.277 10 30 DEEERN CC#CCNC(=O)N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000135508743 684236227 /nfs/dbraw/zinc/23/62/27/684236227.db2.gz RVHJMJBQEKZCKM-OLZOCXBDSA-N 0 0 309.410 2.002 10 30 DEEERN COCCOCCCOC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000190425703 684405513 /nfs/dbraw/zinc/40/55/13/684405513.db2.gz QYCWMLINNMBBEL-UHFFFAOYSA-N 0 0 303.358 2.452 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000193938030 685053296 /nfs/dbraw/zinc/05/32/96/685053296.db2.gz DLMFIVMABLEDQE-LBPRGKRZSA-N 0 0 324.302 2.407 10 30 DEEERN COc1ccccc1C(=O)N[C@H](C(=O)OCCCC#N)C(C)C ZINC000194292867 685063460 /nfs/dbraw/zinc/06/34/60/685063460.db2.gz VXZTUODGEFEHFX-HNNXBMFYSA-N 0 0 318.373 2.297 10 30 DEEERN CCCCCCCS(=O)(=O)NCCc1c(C)nn(C)c1C ZINC000195088442 685087050 /nfs/dbraw/zinc/08/70/50/685087050.db2.gz DHHSJYUNBAKZCP-UHFFFAOYSA-N 0 0 315.483 2.469 10 30 DEEERN CN(CC#N)C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000195143658 685089161 /nfs/dbraw/zinc/08/91/61/685089161.db2.gz RMOBAXMNMKSZDQ-UHFFFAOYSA-N 0 0 307.353 2.065 10 30 DEEERN C=C(C)CN(C)C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000588396524 777052047 /nfs/dbraw/zinc/05/20/47/777052047.db2.gz CHCLEXFBHMCYIQ-YFHOEESVSA-N 0 0 308.403 2.106 10 30 DEEERN CNC(=O)c1cncc(/C=C\C(=O)OCC2(C#N)CCCC2)c1 ZINC000588411784 777108094 /nfs/dbraw/zinc/10/80/94/777108094.db2.gz BMOHNOHVCGGWLN-PLNGDYQASA-N 0 0 313.357 2.082 10 30 DEEERN C#Cc1ccc(C(=O)N(C)Cc2cc(OC)cc(OC)c2)nc1 ZINC000728811177 778485679 /nfs/dbraw/zinc/48/56/79/778485679.db2.gz RBECQVNNHYLHGB-UHFFFAOYSA-N 0 0 310.353 2.352 10 30 DEEERN C#Cc1ccc(C(=O)N[C@@H](c2nnc3ccccn32)C(C)C)nc1 ZINC000728822337 778514751 /nfs/dbraw/zinc/51/47/51/778514751.db2.gz WXVGEYZYBFTCBQ-MRXNPFEDSA-N 0 0 319.368 2.233 10 30 DEEERN C#CCN(CC#CC)C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000745339171 784712508 /nfs/dbraw/zinc/71/25/08/784712508.db2.gz JKADURSNMKXCOR-CQSZACIVSA-N 0 0 314.385 2.433 10 30 DEEERN C#CC[C@@H](COC)NC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000716320249 792952386 /nfs/dbraw/zinc/95/23/86/792952386.db2.gz BGKDHGVISOEQGK-VIFPVBQESA-N 0 0 301.173 2.344 10 30 DEEERN C#CC[C@H](COC)NC(=O)c1cscc1Br ZINC000716799146 793007421 /nfs/dbraw/zinc/00/74/21/793007421.db2.gz KYZKBADZNHEEPK-MRVPVSSYSA-N 0 0 302.193 2.279 10 30 DEEERN C#CCC[C@@H](O)CNC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000717934828 1081807109 /nfs/dbraw/zinc/80/71/09/1081807109.db2.gz AGLVFSQZDDJPHH-SNVBAGLBSA-N 0 0 316.184 2.263 10 30 DEEERN C#C[C@@H]1CCCN(C(=O)c2cc(Br)cnc2F)C1 ZINC000700858275 1086337668 /nfs/dbraw/zinc/33/76/68/1086337668.db2.gz NZKJYERXNUUTSG-SECBINFHSA-N 0 0 311.154 2.469 10 30 DEEERN C#CCN(CCC)S(=O)(=O)c1c2ccccc2sc1CO ZINC000162074715 197542301 /nfs/dbraw/zinc/54/23/01/197542301.db2.gz RYLHMJZBCPUKCZ-UHFFFAOYSA-N 0 0 323.439 2.428 10 30 DEEERN CN1c2cccc(C(=O)Nc3ccccc3C#N)c2OCC1=O ZINC000074733409 185014867 /nfs/dbraw/zinc/01/48/67/185014867.db2.gz YYXMJMLJVKCTGR-UHFFFAOYSA-N 0 0 307.309 2.166 10 30 DEEERN CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1(C#N)CCC1 ZINC000076961926 185061763 /nfs/dbraw/zinc/06/17/63/185061763.db2.gz KJNFKFRSUFOYOT-GFCCVEGCSA-N 0 0 307.394 2.148 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC000612083288 361741198 /nfs/dbraw/zinc/74/11/98/361741198.db2.gz XTWMEWRGXBVXHR-RRFJBIMHSA-N 0 0 310.463 2.344 10 30 DEEERN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](CCF)C1 ZINC000624965472 365601634 /nfs/dbraw/zinc/60/16/34/365601634.db2.gz DAMHPISFHCQNRN-CYBMUJFWSA-N 0 0 319.384 2.414 10 30 DEEERN C[C@H](CS(C)(=O)=O)Nc1ccc(C#N)cc1Br ZINC000081899999 192335933 /nfs/dbraw/zinc/33/59/33/192335933.db2.gz PRAZPNHOXLYVOT-MRVPVSSYSA-N 0 0 317.208 2.166 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(C)cc1OC ZINC000612291766 361783189 /nfs/dbraw/zinc/78/31/89/361783189.db2.gz FIEMXTMDHJFPFY-OAHLLOKOSA-N 0 0 304.390 2.091 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000612399405 361815833 /nfs/dbraw/zinc/81/58/33/361815833.db2.gz AHXMMKYHPPCZNQ-KBPBESRZSA-N 0 0 322.430 2.119 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000612426891 361824231 /nfs/dbraw/zinc/82/42/31/361824231.db2.gz RRRDGRAFCCXJMY-FPCVCCKLSA-N 0 0 322.449 2.311 10 30 DEEERN CCOC(=O)[C@H](C)CN(C(=O)c1cccc(C#N)c1)C1CC1 ZINC000096760484 185386631 /nfs/dbraw/zinc/38/66/31/185386631.db2.gz PFQKLKRYIAGKFU-GFCCVEGCSA-N 0 0 300.358 2.362 10 30 DEEERN C=CCNC(=O)c1ccc(NCC2(CO)CC3(CCC3)C2)nc1 ZINC000278568426 214244373 /nfs/dbraw/zinc/24/43/73/214244373.db2.gz BOTGZGBNEITCLR-UHFFFAOYSA-N 0 0 315.417 2.352 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@@H]1C[C@@H](OCC)C12CCC2 ZINC000612486677 361840438 /nfs/dbraw/zinc/84/04/38/361840438.db2.gz STVIWZBLFZNVEX-ARFHVFGLSA-N 0 0 322.449 2.263 10 30 DEEERN CC[C@H](C#N)S(=O)(=O)c1cc(Br)ccc1N ZINC000088088735 185239328 /nfs/dbraw/zinc/23/93/28/185239328.db2.gz RRMDBQNMZGCDLG-MRVPVSSYSA-N 0 0 303.181 2.107 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(c2nc(C)no2)CC1 ZINC000278220378 214031177 /nfs/dbraw/zinc/03/11/77/214031177.db2.gz IDERSZOFKUQCLQ-ZIAGYGMSSA-N 0 0 305.378 2.065 10 30 DEEERN CCc1cnc(N2CCN(C(=O)C3(C#N)CCC3)CC2)s1 ZINC000408232337 529654860 /nfs/dbraw/zinc/65/48/60/529654860.db2.gz NOYBXULPSKVFPZ-UHFFFAOYSA-N 0 0 304.419 2.048 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000613137106 362015432 /nfs/dbraw/zinc/01/54/32/362015432.db2.gz BDVSSUKEIDHRPH-QLFBSQMISA-N 0 0 310.438 2.167 10 30 DEEERN CCc1cc(C(=O)N2CCC(C#N)(SC)CC2)n(CC)n1 ZINC000090137825 185283530 /nfs/dbraw/zinc/28/35/30/185283530.db2.gz QSWZAFZZQZFFGA-UHFFFAOYSA-N 0 0 306.435 2.327 10 30 DEEERN COc1cc(OC)c(-c2noc(C(C)=O)c2C#N)c(OC)c1 ZINC000090528077 185300830 /nfs/dbraw/zinc/30/08/30/185300830.db2.gz TWIVPNVTAPLAOR-UHFFFAOYSA-N 0 0 302.286 2.442 10 30 DEEERN CC(=O)N1CCN(c2nc(C(C)(C)C)ccc2C#N)[C@H](C)C1 ZINC000613429257 362109696 /nfs/dbraw/zinc/10/96/96/362109696.db2.gz JBVLGNNYSLUHDY-GFCCVEGCSA-N 0 0 300.406 2.308 10 30 DEEERN C=CCNC(=O)NCC#CCOc1cccc2c1OC(C)(C)C2 ZINC000090733688 185311569 /nfs/dbraw/zinc/31/15/69/185311569.db2.gz UFANPOZNPSAWPK-UHFFFAOYSA-N 0 0 314.385 2.268 10 30 DEEERN O=C(NCC#CCOc1cccnc1)c1ccc(F)c(F)c1 ZINC000090734091 185311593 /nfs/dbraw/zinc/31/15/93/185311593.db2.gz MMRLUHFFOJYSRP-UHFFFAOYSA-N 0 0 302.280 2.172 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnn(-c2ccccc2)c1C(F)F ZINC000613486645 362126604 /nfs/dbraw/zinc/12/66/04/362126604.db2.gz RHLBSXARYIIHMI-NSHDSACASA-N 0 0 321.327 2.477 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1c(OC)cccc1OC(F)(F)F ZINC000613487740 362127193 /nfs/dbraw/zinc/12/71/93/362127193.db2.gz ZQOMGMFQBDBSJQ-VIFPVBQESA-N 0 0 319.279 2.261 10 30 DEEERN C[C@H](C#N)N1CCN(C(=O)c2cc(F)c(Cl)cc2F)CC1 ZINC000167554475 197710659 /nfs/dbraw/zinc/71/06/59/197710659.db2.gz KRTSWEFXIJIEIE-SECBINFHSA-N 0 0 313.735 2.288 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)C[C@H](OC)C2CCCC2)C1 ZINC000625355539 365745181 /nfs/dbraw/zinc/74/51/81/365745181.db2.gz RRKILBNLEASRAS-HIFRSBDPSA-N 0 0 301.452 2.419 10 30 DEEERN C=CCN1C(=O)C(c2cccs2)=C(N2CCCCC2)C1=O ZINC000170017704 197764569 /nfs/dbraw/zinc/76/45/69/197764569.db2.gz PYGYGBOQJXQVFJ-UHFFFAOYSA-N 0 0 302.399 2.500 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000614244786 362327056 /nfs/dbraw/zinc/32/70/56/362327056.db2.gz MUMLFMSEYLKBAK-DLOVCJGASA-N 0 0 306.328 2.257 10 30 DEEERN CN(CC#Cc1ccccc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000248809502 282337539 /nfs/dbraw/zinc/33/75/39/282337539.db2.gz CGXVAFIOKSMMPV-IAGOWNOFSA-N 0 0 305.443 2.326 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C1CCC(F)(F)CC1 ZINC000614892745 362484689 /nfs/dbraw/zinc/48/46/89/362484689.db2.gz QABYBVVPSAKFDQ-CYBMUJFWSA-N 0 0 302.365 2.494 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1Cc2ccccc2O[C@@H](C)C1 ZINC000615207178 362558498 /nfs/dbraw/zinc/55/84/98/362558498.db2.gz XZQFOEDBMDCICT-XJKSGUPXSA-N 0 0 316.401 2.267 10 30 DEEERN C=CCCn1cc(C(=O)N2CCC[C@H](c3ccccn3)C2)nn1 ZINC000615251472 362566929 /nfs/dbraw/zinc/56/69/29/362566929.db2.gz POWPSRVARZIXDS-AWEZNQCLSA-N 0 0 311.389 2.269 10 30 DEEERN C=CCCS(=O)(=O)NCC(=O)c1ccc(F)cc1Cl ZINC000625608498 365848324 /nfs/dbraw/zinc/84/83/24/365848324.db2.gz RCKKWDCBQXYRIH-UHFFFAOYSA-N 0 0 305.758 2.157 10 30 DEEERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(C#N)nc1 ZINC000248541824 282514700 /nfs/dbraw/zinc/51/47/00/282514700.db2.gz IIDANSXCQXIULB-TYNCELHUSA-N 0 0 305.403 2.295 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H](Cc1ccncc1)C(=O)OCC ZINC000616130472 362777581 /nfs/dbraw/zinc/77/75/81/362777581.db2.gz DGKAMHOQSQUTMZ-DZGCQCFKSA-N 0 0 304.390 2.274 10 30 DEEERN C#CCC(CC#C)C(=O)NCCc1nc2ccc(F)cc2n1C ZINC000277669752 213679619 /nfs/dbraw/zinc/67/96/19/213679619.db2.gz MJLFRNUBGDNUPN-UHFFFAOYSA-N 0 0 311.360 2.034 10 30 DEEERN Cn1nccc1N1CCC[C@H](Nc2ccc(C#N)cc2F)C1=O ZINC000616392677 362844805 /nfs/dbraw/zinc/84/48/05/362844805.db2.gz LDXVBHIBBINEOW-AWEZNQCLSA-N 0 0 313.336 2.038 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000277544412 213607058 /nfs/dbraw/zinc/60/70/58/213607058.db2.gz VRCQQGAGRCETER-HNNXBMFYSA-N 0 0 318.417 2.165 10 30 DEEERN CC#CCNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000126528974 185870802 /nfs/dbraw/zinc/87/08/02/185870802.db2.gz XTYOCNUXFOEOFM-AWEZNQCLSA-N 0 0 306.793 2.234 10 30 DEEERN C[C@@H]1CN(C(=O)c2sccc2C#CCCO)C[C@H](C)S1 ZINC000070388805 190883905 /nfs/dbraw/zinc/88/39/05/190883905.db2.gz JLXQATDNURVIGC-TXEJJXNPSA-N 0 0 309.456 2.448 10 30 DEEERN CS(=O)(=O)N1CCc2ccccc2[C@@H]1c1ccc(C#N)cc1 ZINC000616693357 362911183 /nfs/dbraw/zinc/91/11/83/362911183.db2.gz YIRDLSXBFYYNNU-KRWDZBQOSA-N 0 0 312.394 2.465 10 30 DEEERN CC[C@@H](C)N(CCOC)S(=O)(=O)c1cccc(F)c1C#N ZINC000070398113 190887282 /nfs/dbraw/zinc/88/72/82/190887282.db2.gz SMBHWXFGEPDKCQ-LLVKDONJSA-N 0 0 314.382 2.133 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CCC2(CCCC2)O1 ZINC000616719515 362920484 /nfs/dbraw/zinc/92/04/84/362920484.db2.gz VQZRRJDGQMNOGC-HUUCEWRRSA-N 0 0 308.422 2.065 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000186052242 282617796 /nfs/dbraw/zinc/61/77/96/282617796.db2.gz BENNDGFSVXWMSC-GFCCVEGCSA-N 0 0 318.427 2.284 10 30 DEEERN N#Cc1ccc(NC(=O)C(=O)NC/C=C\c2ccccc2)cc1 ZINC000255180177 282622188 /nfs/dbraw/zinc/62/21/88/282622188.db2.gz SUUQIMWOCAAVME-DAXSKMNVSA-N 0 0 305.337 2.326 10 30 DEEERN COc1cc(C#N)ccc1N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000130066376 185933260 /nfs/dbraw/zinc/93/32/60/185933260.db2.gz MMZNESAGKDMXBU-CHWSQXEVSA-N 0 0 308.403 2.335 10 30 DEEERN O=c1ccc(C(F)(F)F)cn1Cc1ccc(C#CCO)s1 ZINC000071212054 190942969 /nfs/dbraw/zinc/94/29/69/190942969.db2.gz BCZJXGOZVCJEQD-UHFFFAOYSA-N 0 0 313.300 2.321 10 30 DEEERN C=CCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC ZINC000071257412 190949795 /nfs/dbraw/zinc/94/97/95/190949795.db2.gz JCBHTNVWHPRKCO-UHFFFAOYSA-N 0 0 313.394 2.124 10 30 DEEERN Cc1sc(=O)n(Cc2ccc(F)c(C#CCCO)c2)c1C ZINC000071351785 190961935 /nfs/dbraw/zinc/96/19/35/190961935.db2.gz VBEUMISORCJKCU-UHFFFAOYSA-N 0 0 305.374 2.448 10 30 DEEERN C[C@H]1SCCN(C(=O)c2csc(C#CCCO)c2)[C@@H]1C ZINC000133650201 186003609 /nfs/dbraw/zinc/00/36/09/186003609.db2.gz VTTHDPSFJQMPBK-VXGBXAGGSA-N 0 0 309.456 2.448 10 30 DEEERN C[C@H]1CCC[C@H](C)N1NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000147788277 186042036 /nfs/dbraw/zinc/04/20/36/186042036.db2.gz YNLOPBFXKNLMGF-QWRGUYRKSA-N 0 0 311.382 2.154 10 30 DEEERN O=C(NCc1sccc1C#CCO)c1cc(Cl)ccc1O ZINC000148547030 186045261 /nfs/dbraw/zinc/04/52/61/186045261.db2.gz LNGLKZPUTLPWSV-UHFFFAOYSA-N 0 0 321.785 2.381 10 30 DEEERN O=C(NCc1sccc1C#CCO)c1cc(F)cc(F)c1 ZINC000148573129 186045319 /nfs/dbraw/zinc/04/53/19/186045319.db2.gz SALWZCVNMBJXNC-UHFFFAOYSA-N 0 0 307.321 2.300 10 30 DEEERN COc1cccc(N2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)c1 ZINC000175701476 186189956 /nfs/dbraw/zinc/18/99/56/186189956.db2.gz XZNIKABPIFPECI-CQSZACIVSA-N 0 0 324.384 2.294 10 30 DEEERN C=CCOCCCC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000173374283 186181005 /nfs/dbraw/zinc/18/10/05/186181005.db2.gz IQVFEIPWRRHKHW-UHFFFAOYSA-N 0 0 305.422 2.411 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)CC(C)C ZINC000617037963 363006747 /nfs/dbraw/zinc/00/67/47/363006747.db2.gz TUHADKJWPOPMCJ-KBPBESRZSA-N 0 0 301.452 2.308 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000617036059 363007057 /nfs/dbraw/zinc/00/70/57/363007057.db2.gz YEUVZFJGUYSWPE-WFASDCNBSA-N 0 0 322.430 2.199 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000617044403 363007869 /nfs/dbraw/zinc/00/78/69/363007869.db2.gz MYOUSARRHDUFMG-RDBSUJKOSA-N 0 0 302.422 2.171 10 30 DEEERN C=C(C)[C@H](CC(=O)NCc1cnc(C(F)(F)F)nc1)OCC ZINC000617222562 363056141 /nfs/dbraw/zinc/05/61/41/363056141.db2.gz PRVVWCVWZPUIHB-NSHDSACASA-N 0 0 317.311 2.483 10 30 DEEERN Cc1ncsc1CCN1CCN(c2ncccc2C#N)CC1 ZINC000172523763 198109808 /nfs/dbraw/zinc/10/98/08/198109808.db2.gz SGWDITKAABXORX-UHFFFAOYSA-N 0 0 313.430 2.083 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC(C)(C)C(O)(CC)CC ZINC000617514020 363164448 /nfs/dbraw/zinc/16/44/48/363164448.db2.gz IDHLBPJRKQJEGE-CQSZACIVSA-N 0 0 312.454 2.151 10 30 DEEERN [O-]C(=[NH+][C@H]1CCc2ccccc2C1)N1CCc2cncnc2C1 ZINC000329300792 539916890 /nfs/dbraw/zinc/91/68/90/539916890.db2.gz VUUJRIADDUZLHN-INIZCTEOSA-N 0 0 308.385 2.306 10 30 DEEERN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)[C@@H]1CC=CCC1 ZINC000328940607 539912193 /nfs/dbraw/zinc/91/21/93/539912193.db2.gz SLLNJQMQRAFIPF-OAHLLOKOSA-N 0 0 319.449 2.244 10 30 DEEERN C=CCN(C(=O)c1ccc(-c2ncon2)cc1)[C@@H](C)COC ZINC000617578848 363194894 /nfs/dbraw/zinc/19/48/94/363194894.db2.gz RSALXMGAZAIKKJ-LBPRGKRZSA-N 0 0 301.346 2.400 10 30 DEEERN Cc1nnc([C@H](C)NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)s1 ZINC000329791600 539929731 /nfs/dbraw/zinc/92/97/31/539929731.db2.gz UQNAGFVIIGZIPE-ITDIGPHOSA-N 0 0 324.450 2.449 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@H](C)C[C@H](C)C1 ZINC000329821258 539930464 /nfs/dbraw/zinc/93/04/64/539930464.db2.gz HCDHPGLYBYEULW-KKUMJFAQSA-N 0 0 320.437 2.424 10 30 DEEERN N#C[C@]1(c2nc([C@H]3CN4CCC[C@H]4CO3)no2)CC12CCCC2 ZINC000333220174 539952351 /nfs/dbraw/zinc/95/23/51/539952351.db2.gz VWZPTZZNTBBOKR-AHIWAGSCSA-N 0 0 314.389 2.331 10 30 DEEERN C=CCn1c(C)nnc1S(=O)(=O)Cc1cc(C)sc1C ZINC000174633572 198362614 /nfs/dbraw/zinc/36/26/14/198362614.db2.gz LXMLHSWMRDQKAD-UHFFFAOYSA-N 0 0 311.432 2.425 10 30 DEEERN C[C@H](C(=O)Oc1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O ZINC000003372310 181012126 /nfs/dbraw/zinc/01/21/26/181012126.db2.gz XDZNEGPHEKEUGT-LLVKDONJSA-N 0 0 320.304 2.148 10 30 DEEERN CNC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)cc1 ZINC000021383240 354049436 /nfs/dbraw/zinc/04/94/36/354049436.db2.gz KKGWLPZUGYJTRI-LBPRGKRZSA-N 0 0 323.352 2.324 10 30 DEEERN CN(C)/C=C(\C(=O)c1ccccc1)c1nnnn1-c1ccccc1 ZINC000004369358 181103327 /nfs/dbraw/zinc/10/33/27/181103327.db2.gz PSMRDIADNIHJFE-DTQAZKPQSA-N 0 0 319.368 2.448 10 30 DEEERN C=CCOCCNC(=O)c1cc(C)n([C@H]2CCCOC2)c1C ZINC000626403982 366175591 /nfs/dbraw/zinc/17/55/91/366175591.db2.gz LSLPSDRGFZKQNR-HNNXBMFYSA-N 0 0 306.406 2.389 10 30 DEEERN COc1ccc(C#N)cc1NC(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000050089795 354367002 /nfs/dbraw/zinc/36/70/02/354367002.db2.gz MLIUFWCKXLUOCI-DZGCQCFKSA-N 0 0 301.346 2.352 10 30 DEEERN C#CCN(CC)C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000056754776 354541922 /nfs/dbraw/zinc/54/19/22/354541922.db2.gz LXBCECNBLNFWOG-UHFFFAOYSA-N 0 0 313.401 2.368 10 30 DEEERN C=CCC1(NC(=O)[C@H](C)Oc2cccc(CO)c2)CCOCC1 ZINC000618248677 363431098 /nfs/dbraw/zinc/43/10/98/363431098.db2.gz QLGCOIKBOKSTBZ-AWEZNQCLSA-N 0 0 319.401 2.188 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)no2)CCN1C1CC1 ZINC000370967534 283060188 /nfs/dbraw/zinc/06/01/88/283060188.db2.gz GYDBLZRAXJXTQP-OAHLLOKOSA-N 0 0 322.368 2.154 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N(C)CCCC)cc2C1=O ZINC000073906023 354991190 /nfs/dbraw/zinc/99/11/90/354991190.db2.gz LUCGJJTYHSDOLO-UHFFFAOYSA-N 0 0 300.358 2.341 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000076484535 355152163 /nfs/dbraw/zinc/15/21/63/355152163.db2.gz NOBMDLXNBZYAFW-UHFFFAOYSA-N 0 0 322.430 2.265 10 30 DEEERN COc1cc(CN=Nc2ccc(Cl)nn2)cc(OC)c1O ZINC000004984822 181184449 /nfs/dbraw/zinc/18/44/49/181184449.db2.gz FDJJSDLIZMNGRI-VIZOYTHASA-N 0 0 308.725 2.299 10 30 DEEERN CN1c2cc(CC(=O)Nc3ccccc3C#N)ccc2OCC1=O ZINC000074965790 191398120 /nfs/dbraw/zinc/39/81/20/191398120.db2.gz GQGZJNUMUWAIDK-UHFFFAOYSA-N 0 0 321.336 2.095 10 30 DEEERN N#Cc1cc(F)c(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)c(F)c1 ZINC000178684688 283095968 /nfs/dbraw/zinc/09/59/68/283095968.db2.gz JXVAXIMLBAITEP-GOEBONIOSA-N 0 0 314.291 2.225 10 30 DEEERN N#Cc1ccc(OCC(=O)N2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000079991249 355340348 /nfs/dbraw/zinc/34/03/48/355340348.db2.gz ITUBAIHAWORVBI-GOSISDBHSA-N 0 0 314.385 2.356 10 30 DEEERN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2C[C@H]1CS2 ZINC000414544134 540156018 /nfs/dbraw/zinc/15/60/18/540156018.db2.gz UJVLUOXMBPMORX-AGIUHOORSA-N 0 0 306.435 2.052 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)CCO1 ZINC000155600428 355948313 /nfs/dbraw/zinc/94/83/13/355948313.db2.gz IUWIWZODFSNYDZ-NRUUGDAUSA-N 0 0 323.755 2.269 10 30 DEEERN CCCC(=O)Nc1sc2c(c1C#N)CCN(C(=O)OC)C2 ZINC000005255582 181222417 /nfs/dbraw/zinc/22/24/17/181222417.db2.gz BNYGJIOQCOKEGQ-UHFFFAOYSA-N 0 0 307.375 2.483 10 30 DEEERN CSC[C@H](CCO)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180675491 356056380 /nfs/dbraw/zinc/05/63/80/356056380.db2.gz TYCZCCURCRVEER-AWEZNQCLSA-N 0 0 304.415 2.086 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000181416515 356080394 /nfs/dbraw/zinc/08/03/94/356080394.db2.gz DUYUMPYOMVLILT-CVEARBPZSA-N 0 0 320.437 2.347 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1cccnc1OC1CCCC1 ZINC000183024478 356156405 /nfs/dbraw/zinc/15/64/05/356156405.db2.gz ZQGRJTLVLDXPIV-CQSZACIVSA-N 0 0 319.405 2.139 10 30 DEEERN C[C@H](NS(=O)(=O)CC(C)(C)C)c1cccc(C#CCO)c1 ZINC000080192678 192010801 /nfs/dbraw/zinc/01/08/01/192010801.db2.gz LRTQAYRJSUFJNU-ZDUSSCGKSA-N 0 0 309.431 2.057 10 30 DEEERN C=C(C)[C@H](CO)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000618326957 363459616 /nfs/dbraw/zinc/45/96/16/363459616.db2.gz AUFKZJTVSSVEKL-INIZCTEOSA-N 0 0 305.809 2.271 10 30 DEEERN COCCCOC1CN(C(=O)Nc2cccc(C#N)c2C)C1 ZINC000182519657 356130106 /nfs/dbraw/zinc/13/01/06/356130106.db2.gz PSPMZZBOXYQFKM-UHFFFAOYSA-N 0 0 303.362 2.136 10 30 DEEERN COc1cccc(N2CCC[C@H](NC(=O)NC[C@@H](C)C#N)C2)c1 ZINC000182669391 356138295 /nfs/dbraw/zinc/13/82/95/356138295.db2.gz YICYXLRWPJMPMI-KBPBESRZSA-N 0 0 316.405 2.123 10 30 DEEERN O=[N+]([O-])c1ccc([N-][NH+]=Cc2ccc(N3CCOCC3)o2)cc1 ZINC000005513577 181251843 /nfs/dbraw/zinc/25/18/43/181251843.db2.gz BEPFGFHJGNUMAY-LFIBNONCSA-N 0 0 316.317 2.470 10 30 DEEERN COc1cccc(-c2nsc(NC(=O)NC[C@@H](C)C#N)n2)c1 ZINC000184104004 356185599 /nfs/dbraw/zinc/18/55/99/356185599.db2.gz UZBXVMBDMNCNAD-VIFPVBQESA-N 0 0 317.374 2.495 10 30 DEEERN COc1cccc2c1nc(NC(=O)c1ccc(C#N)cn1)n2C ZINC000184453368 356191487 /nfs/dbraw/zinc/19/14/87/356191487.db2.gz WMKDJMYEXCWUAW-UHFFFAOYSA-N 0 0 307.313 2.101 10 30 DEEERN C#C[C@H](NN)c1cc(Cl)ccc1I ZINC000236204323 356289484 /nfs/dbraw/zinc/28/94/84/356289484.db2.gz SVSNXTDEWDAWTI-VIFPVBQESA-N 0 0 306.534 2.082 10 30 DEEERN N#Cc1ccc(I)c(OC(F)(F)F)n1 ZINC000238545384 356304072 /nfs/dbraw/zinc/30/40/72/356304072.db2.gz COMHAGDJEIADJT-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN Cc1cccc(NC(=O)CN(C)C(=O)c2cc(C#N)cn2C)c1C ZINC000080941131 192202815 /nfs/dbraw/zinc/20/28/15/192202815.db2.gz RHDMLGYTSBZFAI-UHFFFAOYSA-N 0 0 324.384 2.224 10 30 DEEERN C[C@@H](Cc1ccccc1)NC(=O)CON=Cc1ccccc1O ZINC000254629661 356336958 /nfs/dbraw/zinc/33/69/58/356336958.db2.gz VQMYPSAYHUORPC-AWEZNQCLSA-N 0 0 312.369 2.490 10 30 DEEERN O=C(C#CBr)NCc1cc(Br)cs1 ZINC000306316134 356403903 /nfs/dbraw/zinc/40/39/03/356403903.db2.gz QZHYVFLXCMHPOM-UHFFFAOYSA-N 0 0 323.009 2.483 10 30 DEEERN C[C@@H](C#N)CNc1ncc(F)cc1I ZINC000306219934 356404084 /nfs/dbraw/zinc/40/40/84/356404084.db2.gz NPOJJAYDIFFBJJ-LURJTMIESA-N 0 0 305.094 2.397 10 30 DEEERN O=C1c2ccccc2C(=O)N1Cc1cc(C#CCCO)ccc1F ZINC000307646389 356409159 /nfs/dbraw/zinc/40/91/59/356409159.db2.gz MUIFKHVLLHVFDW-UHFFFAOYSA-N 0 0 323.323 2.356 10 30 DEEERN Cc1noc(CNC(=O)NC[C@H]2CCCc3sc(C)nc32)n1 ZINC000328630478 356463648 /nfs/dbraw/zinc/46/36/48/356463648.db2.gz PXSJDVOMKSJSRG-SNVBAGLBSA-N 0 0 321.406 2.267 10 30 DEEERN N#CCc1ccc(S(=O)(=O)NCc2cccc(F)c2)cc1 ZINC000081298528 192247261 /nfs/dbraw/zinc/24/72/61/192247261.db2.gz WTYLNXJCMKJGIJ-UHFFFAOYSA-N 0 0 304.346 2.370 10 30 DEEERN Cc1nc2c(s1)CCC[C@@H]2CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000328644424 356465542 /nfs/dbraw/zinc/46/55/42/356465542.db2.gz ZHRHMLGWVRXRAY-BDAKNGLRSA-N 0 0 322.390 2.471 10 30 DEEERN C[C@H](C(=O)OC(C)(C)C)N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000081567374 192293281 /nfs/dbraw/zinc/29/32/81/192293281.db2.gz IDCSNYQEXMPBTN-GFCCVEGCSA-N 0 0 317.389 2.159 10 30 DEEERN C=CCOCCCNC(=O)CSc1ccc2c(c1)OCCO2 ZINC000618515610 363512745 /nfs/dbraw/zinc/51/27/45/363512745.db2.gz ZVPDVCOEBSGTEB-UHFFFAOYSA-N 0 0 323.414 2.259 10 30 DEEERN C=CCOCCCNC(=O)c1noc(-c2cccc(OC)c2)n1 ZINC000618525621 363515682 /nfs/dbraw/zinc/51/56/82/363515682.db2.gz GDTQIZQJNVKHGL-UHFFFAOYSA-N 0 0 317.345 2.068 10 30 DEEERN C=CCOCCCNC(=O)c1cnn(-c2nc(CC)cs2)c1 ZINC000618525768 363516016 /nfs/dbraw/zinc/51/60/16/363516016.db2.gz HZVODGBRUYWHGN-UHFFFAOYSA-N 0 0 320.418 2.214 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC000626831952 366340706 /nfs/dbraw/zinc/34/07/06/366340706.db2.gz NOWVNLDDAGZXCR-KEYYUXOJSA-N 0 0 319.376 2.474 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@@H](C)C[C@@H]1C ZINC000578106307 356761577 /nfs/dbraw/zinc/76/15/77/356761577.db2.gz HTDVHQIUQIFSSQ-IHRRRGAJSA-N 0 0 306.410 2.177 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cc(F)ccc1OC ZINC000581306738 357164139 /nfs/dbraw/zinc/16/41/39/357164139.db2.gz XVQWHXGCFOECMW-FZMZJTMJSA-N 0 0 308.353 2.225 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@](C)(CC)C1 ZINC000581530568 357201443 /nfs/dbraw/zinc/20/14/43/357201443.db2.gz ALXXCNSUDQNVGG-INIZCTEOSA-N 0 0 315.425 2.194 10 30 DEEERN N#Cc1cc(Br)cnc1N1CCC12CCOCC2 ZINC000590700636 357585849 /nfs/dbraw/zinc/58/58/49/357585849.db2.gz GMXFZHQZOCOHFY-UHFFFAOYSA-N 0 0 308.179 2.475 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2ccc(-c3nncnn3)cc2)C1 ZINC000624302554 540273504 /nfs/dbraw/zinc/27/35/04/540273504.db2.gz CJAACVSEUFOWCW-AWEZNQCLSA-N 0 0 324.388 2.041 10 30 DEEERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cccc(CC#N)c2)C1 ZINC000591682583 357750522 /nfs/dbraw/zinc/75/05/22/357750522.db2.gz JYADREHQTSTXKV-CABCVRRESA-N 0 0 310.357 2.078 10 30 DEEERN C=CCn1c(Cc2ccccc2)nnc1S[C@@H]1CCNC1=O ZINC000179002316 198967114 /nfs/dbraw/zinc/96/71/14/198967114.db2.gz SDYFEGKAFPRVOL-CYBMUJFWSA-N 0 0 314.414 2.036 10 30 DEEERN C=CCC1(C(=O)Nc2ccc(C(=O)OC)nc2)CCOCC1 ZINC000591777764 357759370 /nfs/dbraw/zinc/75/93/70/357759370.db2.gz YTWSBFBSZKOCJZ-UHFFFAOYSA-N 0 0 304.346 2.180 10 30 DEEERN Cc1ccc(C#N)c(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1 ZINC000179777801 199079097 /nfs/dbraw/zinc/07/90/97/199079097.db2.gz BUULMGRMUXCMBW-GOSISDBHSA-N 0 0 322.412 2.117 10 30 DEEERN CC#CCCCC(=O)N1C[C@H](C(=O)OC)Oc2cc(F)ccc21 ZINC000593192166 358031437 /nfs/dbraw/zinc/03/14/37/358031437.db2.gz QQSGAMIEDLDDRI-OAHLLOKOSA-N 0 0 319.332 2.286 10 30 DEEERN C=CCN1CC[C@@H](N[C@@H](C(=O)OCC)C2CCCCCC2)C1=O ZINC000594046622 358196724 /nfs/dbraw/zinc/19/67/24/358196724.db2.gz AKQKVNLGUBOKNZ-HZPDHXFCSA-N 0 0 322.449 2.265 10 30 DEEERN C=CCCn1cc(COc2nc(C)cc(C)c2[N+](=O)[O-])nn1 ZINC000594459005 358277296 /nfs/dbraw/zinc/27/72/96/358277296.db2.gz JFKCSJYOPQBIGQ-UHFFFAOYSA-N 0 0 303.322 2.353 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)CCCC(=O)OCC ZINC000594790931 358337035 /nfs/dbraw/zinc/33/70/35/358337035.db2.gz ZGMNVFNVCDXESI-KGLIPLIRSA-N 0 0 317.451 2.384 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)CC(C)(C)C(=O)OC ZINC000594789303 358337270 /nfs/dbraw/zinc/33/72/70/358337270.db2.gz KVJVDKHBNWVJCE-STQMWFEESA-N 0 0 317.451 2.240 10 30 DEEERN C=C(C)CS(=O)(=O)NC1(c2cccc(C#N)c2)CCOCC1 ZINC000594864580 358350504 /nfs/dbraw/zinc/35/05/04/358350504.db2.gz RONABWMMJZXCCJ-UHFFFAOYSA-N 0 0 320.414 2.059 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C ZINC000627060179 366425596 /nfs/dbraw/zinc/42/55/96/366425596.db2.gz RWGLJIOJHUGZFU-WCQYABFASA-N 0 0 317.389 2.215 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc2c(c1)[C@H](C)CC(=O)N2C ZINC000627060178 366425897 /nfs/dbraw/zinc/42/58/97/366425897.db2.gz RWGLJIOJHUGZFU-DGCLKSJQSA-N 0 0 317.389 2.215 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(CC)C1=O ZINC000595296312 358415539 /nfs/dbraw/zinc/41/55/39/358415539.db2.gz ADOWUZXITRDRBY-HNNXBMFYSA-N 0 0 303.362 2.204 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595371306 358434259 /nfs/dbraw/zinc/43/42/59/358434259.db2.gz AYBPCVSHYQTHCS-BETUJISGSA-N 0 0 308.359 2.467 10 30 DEEERN N#Cc1cc(Br)cnc1N1CC[C@H]2COC[C@H]2C1 ZINC000596531807 358707532 /nfs/dbraw/zinc/70/75/32/358707532.db2.gz XJGOUSYDHGAMKZ-GXSJLCMTSA-N 0 0 308.179 2.188 10 30 DEEERN CC#CCCNC(=O)NC[C@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000596577586 358718500 /nfs/dbraw/zinc/71/85/00/358718500.db2.gz QJQYCOCDAPAZOB-AWEZNQCLSA-N 0 0 308.422 2.457 10 30 DEEERN CC(=O)N1CCc2c1cccc2NC(=O)N1CC[C@@](C)(C#N)C1 ZINC000596843266 358773408 /nfs/dbraw/zinc/77/34/08/358773408.db2.gz ITZFSXCLQCOYSM-KRWDZBQOSA-N 0 0 312.373 2.363 10 30 DEEERN CC#CCN(C)C(=O)NC[C@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000596979423 358798325 /nfs/dbraw/zinc/79/83/25/358798325.db2.gz DYQGRKFCFGOISO-AWEZNQCLSA-N 0 0 308.422 2.409 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H](CC)CSC ZINC000597304888 358884635 /nfs/dbraw/zinc/88/46/35/358884635.db2.gz GDUOFVCQKBYGQH-RDBSUJKOSA-N 0 0 312.479 2.495 10 30 DEEERN C=C[C@@](C)(O)C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000597308068 358885477 /nfs/dbraw/zinc/88/54/77/358885477.db2.gz ZBTJZHHWYOCXPP-QGZVFWFLSA-N 0 0 305.374 2.195 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1(SC)CC1 ZINC000597318586 358887652 /nfs/dbraw/zinc/88/76/52/358887652.db2.gz DUJRBBBWWDSYKR-OLZOCXBDSA-N 0 0 310.463 2.249 10 30 DEEERN C=C[C@H](O)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000597528151 358941795 /nfs/dbraw/zinc/94/17/95/358941795.db2.gz RWCYLLDBDOSPLT-CRWXNKLISA-N 0 0 309.406 2.035 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000597864131 359027828 /nfs/dbraw/zinc/02/78/28/359027828.db2.gz LALGWVPETMUPQU-JSGCOSHPSA-N 0 0 306.366 2.433 10 30 DEEERN C=CCOCCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000598208777 359122933 /nfs/dbraw/zinc/12/29/33/359122933.db2.gz OXMXDIFEGMNAPQ-UHFFFAOYSA-N 0 0 310.375 2.396 10 30 DEEERN Cn1c2cc(NC(=O)c3cc(O)cc(C#N)c3)ccc2ccc1=O ZINC000618874394 363623655 /nfs/dbraw/zinc/62/36/55/363623655.db2.gz KOMMRJVGVCBWQE-UHFFFAOYSA-N 0 0 319.320 2.368 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@]2(COC)C(=O)OC)CCCC1 ZINC000598864484 359346614 /nfs/dbraw/zinc/34/66/14/359346614.db2.gz RKVHVZLVCOUJPV-KRWDZBQOSA-N 0 0 309.406 2.304 10 30 DEEERN CN(c1ccc(C#N)cc1Br)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599177932 359425543 /nfs/dbraw/zinc/42/55/43/359425543.db2.gz ATYLDJCCTBWYQV-AOOOYVTPSA-N 0 0 308.179 2.021 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000599375311 359482479 /nfs/dbraw/zinc/48/24/79/359482479.db2.gz ROXUQOFTSPNTFJ-GFCCVEGCSA-N 0 0 310.375 2.490 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccsc2C(=O)OC)C1 ZINC000599375657 359482869 /nfs/dbraw/zinc/48/28/69/359482869.db2.gz XAXXJXBGXMUDEM-SNVBAGLBSA-N 0 0 315.416 2.121 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)C1 ZINC000599375372 359482890 /nfs/dbraw/zinc/48/28/90/359482890.db2.gz UADRAGDIHBJDIX-SNVBAGLBSA-N 0 0 315.416 2.121 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@H](CCSC)NC(=O)CC ZINC000600164952 359670912 /nfs/dbraw/zinc/67/09/12/359670912.db2.gz LNLIFUFQXICUMH-LBPRGKRZSA-N 0 0 300.468 2.353 10 30 DEEERN C=CCOCCCC(=O)N1CCc2occc2[C@@H]1C(=O)OCC ZINC000600246862 359702096 /nfs/dbraw/zinc/70/20/96/359702096.db2.gz RKQFWRYYVRQKFN-MRXNPFEDSA-N 0 0 321.373 2.251 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000627631415 366573188 /nfs/dbraw/zinc/57/31/88/366573188.db2.gz SBZFFJQGRKUVHI-NEPJUHHUSA-N 0 0 300.280 2.103 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N[C@H]1C[C@@H](O)C12CCC2 ZINC000619072928 363694302 /nfs/dbraw/zinc/69/43/02/363694302.db2.gz DOIDWSHKFSDEAR-JKSUJKDBSA-N 0 0 317.385 2.293 10 30 DEEERN C=CCn1c(SCCN(C#N)CC)nc2ccccc2c1=O ZINC000601070858 359911150 /nfs/dbraw/zinc/91/11/50/359911150.db2.gz VNPJZSBCTXBGAH-UHFFFAOYSA-N 0 0 314.414 2.478 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc(C)nn2C(C)(C)C)C1 ZINC000627735601 366604897 /nfs/dbraw/zinc/60/48/97/366604897.db2.gz WYYFQGIIUINTMO-ZDUSSCGKSA-N 0 0 318.421 2.310 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1ccc(C)c(Br)c1 ZINC000188797374 200304046 /nfs/dbraw/zinc/30/40/46/200304046.db2.gz BLVGOHNZQSPXRJ-LBPRGKRZSA-N 0 0 312.207 2.353 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C(=O)OC)nn1C ZINC000601664565 360105375 /nfs/dbraw/zinc/10/53/75/360105375.db2.gz NMHWXDWUXGNPBX-NWDGAFQWSA-N 0 0 305.378 2.071 10 30 DEEERN C=C(C)C[C@H](NS(=O)(=O)c1ccccc1CC)C(=O)OC ZINC000601501651 360055536 /nfs/dbraw/zinc/05/55/36/360055536.db2.gz FUMOTTLKVMRSOC-ZDUSSCGKSA-N 0 0 311.403 2.035 10 30 DEEERN C=C(C)C[C@@H](NS(=O)(=O)c1cccc2ccoc21)C(=O)OC ZINC000601501100 360055566 /nfs/dbraw/zinc/05/55/66/360055566.db2.gz HXPMOHGJSYAUEH-GFCCVEGCSA-N 0 0 323.370 2.219 10 30 DEEERN C=C(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)OC ZINC000601501492 360055628 /nfs/dbraw/zinc/05/56/28/360055628.db2.gz AWKWEDJFIALKRY-LBPRGKRZSA-N 0 0 317.794 2.126 10 30 DEEERN C=CC[C@@H](CC)NC(=O)NC[C@@]1(C(=O)OCC)CCCOC1 ZINC000601609194 360086358 /nfs/dbraw/zinc/08/63/58/360086358.db2.gz VBBVLFSABKOQNV-CJNGLKHVSA-N 0 0 312.410 2.000 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(CCC#N)CC1 ZINC000601619530 360089257 /nfs/dbraw/zinc/08/92/57/360089257.db2.gz LLPPVHDTOAABHB-CVEARBPZSA-N 0 0 304.438 2.362 10 30 DEEERN C=CCC[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C(=O)OCC ZINC000601622135 360089979 /nfs/dbraw/zinc/08/99/79/360089979.db2.gz UGOYABNPMXGNIV-RRFJBIMHSA-N 0 0 309.406 2.063 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)C(=O)OC ZINC000601771612 360140479 /nfs/dbraw/zinc/14/04/79/360140479.db2.gz JAUYLICWBNFXKK-UKRRQHHQSA-N 0 0 305.374 2.386 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCC(=O)c1ccccc1)C(=O)OC ZINC000601772170 360141561 /nfs/dbraw/zinc/14/15/61/360141561.db2.gz NREGUSVHDIOKKR-AWEZNQCLSA-N 0 0 303.358 2.274 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H](C)Oc1cccc(F)c1)C(=O)OC ZINC000601776894 360143581 /nfs/dbraw/zinc/14/35/81/360143581.db2.gz CVLFXALGGAFMSU-FZMZJTMJSA-N 0 0 309.337 2.217 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)OC ZINC000601780114 360144483 /nfs/dbraw/zinc/14/44/83/360144483.db2.gz AVXJMYKZWCTTRC-JTQLQIEISA-N 0 0 301.264 2.342 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(OC)cc1)C(=O)OC ZINC000601780349 360144567 /nfs/dbraw/zinc/14/45/67/360144567.db2.gz XEILHSGRKBBVDI-WFASDCNBSA-N 0 0 321.373 2.087 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1[nH]c2c(c1C)C(=O)CCC2)C(=O)OC ZINC000601779149 360144682 /nfs/dbraw/zinc/14/46/82/360144682.db2.gz RQLHMARCGIAKGY-LBPRGKRZSA-N 0 0 318.373 2.080 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc2c(C)nn(C)c2s1)C(=O)OC ZINC000601780391 360144766 /nfs/dbraw/zinc/14/47/66/360144766.db2.gz XQVWXGXWZYSUON-LLVKDONJSA-N 0 0 321.402 2.181 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc2oc(C)nc2c1)C(=O)OC ZINC000601781253 360145490 /nfs/dbraw/zinc/14/54/90/360145490.db2.gz HRMPXMMNYFHYSR-CYBMUJFWSA-N 0 0 302.330 2.374 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc2nc(C)oc2c1)C(=O)OC ZINC000601782525 360146843 /nfs/dbraw/zinc/14/68/43/360146843.db2.gz PUXCFZUKMMOUQP-ZDUSSCGKSA-N 0 0 302.330 2.374 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)OCc1ccc(F)cc1)C(=O)OC ZINC000601783615 360147562 /nfs/dbraw/zinc/14/75/62/360147562.db2.gz XEMBHWKNKQBVBC-IUODEOHRSA-N 0 0 323.364 2.355 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(C)n(C(C)(C)C)n1)C(=O)OC ZINC000601784816 360147586 /nfs/dbraw/zinc/14/75/86/360147586.db2.gz HGJSTIBCPBSHRY-CYBMUJFWSA-N 0 0 307.394 2.184 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](OC)c1cccc(OC)c1)C(=O)OC ZINC000601785234 360148888 /nfs/dbraw/zinc/14/88/88/360148888.db2.gz RGMCRDSLDCIZKH-GJZGRUSLSA-N 0 0 321.373 2.007 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cccc(OC(C)(C)C)n1)C(=O)OC ZINC000601786346 360149495 /nfs/dbraw/zinc/14/94/95/360149495.db2.gz FMMWPVTTYPCTPH-ZDUSSCGKSA-N 0 0 320.389 2.497 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cn(C(C)(C)C)nc1C)C(=O)OC ZINC000601787352 360150490 /nfs/dbraw/zinc/15/04/90/360150490.db2.gz LOPHZSJHNIQHGO-ZDUSSCGKSA-N 0 0 307.394 2.184 10 30 DEEERN C=CCC[C@@H](NC(=O)c1coc(C(F)(F)F)n1)C(=O)OCC ZINC000602161826 360293065 /nfs/dbraw/zinc/29/30/65/360293065.db2.gz WKFHDTRGVNKUCD-MRVPVSSYSA-N 0 0 320.267 2.321 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N1CCO[C@@](C)(C(=O)OCC)C1 ZINC000602288085 360330588 /nfs/dbraw/zinc/33/05/88/360330588.db2.gz KCQGBJWHUUVSOL-CZUORRHYSA-N 0 0 312.410 2.095 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCO[C@](C)(C(=O)OCC)C1 ZINC000602288083 360330691 /nfs/dbraw/zinc/33/06/91/360330691.db2.gz KCQGBJWHUUVSOL-BBRMVZONSA-N 0 0 312.410 2.095 10 30 DEEERN C=C(CNC(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O)c1ccccc1 ZINC000602312300 360337577 /nfs/dbraw/zinc/33/75/77/360337577.db2.gz BUCPAGHBTWCMLH-ZMPRRUGASA-N 0 0 318.442 2.395 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1c2cccc(C)c2C[C@H]1C(=O)OC ZINC000602425682 360365894 /nfs/dbraw/zinc/36/58/94/360365894.db2.gz JYFBRZPSRJHHAE-KCXAZCMYSA-N 0 0 315.369 2.017 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cccc(F)c1C(=O)OCC ZINC000619222710 363739646 /nfs/dbraw/zinc/73/96/46/363739646.db2.gz SNSGOWUCDMVGHE-UHFFFAOYSA-N 0 0 322.336 2.023 10 30 DEEERN C=CCSCCNC(=O)Nc1cccc2c1NC(=O)CO2 ZINC000603162158 360729667 /nfs/dbraw/zinc/72/96/67/360729667.db2.gz ORIXPFKQPMYKAW-UHFFFAOYSA-N 0 0 307.375 2.058 10 30 DEEERN C=CCCSCCNC(=O)Nc1ccc(C(=O)OC)nc1 ZINC000603135975 360715620 /nfs/dbraw/zinc/71/56/20/360715620.db2.gz DHPAXWDQGBNHOX-UHFFFAOYSA-N 0 0 309.391 2.299 10 30 DEEERN C=C(C)CN(C)C(=O)c1ncc(I)s1 ZINC000603432436 360831323 /nfs/dbraw/zinc/83/13/23/360831323.db2.gz PUIOMLPXDRWDPK-UHFFFAOYSA-N 0 0 322.171 2.396 10 30 DEEERN C=CC[C@@H](C)NC(=O)c1ncc(I)s1 ZINC000603436780 360832149 /nfs/dbraw/zinc/83/21/49/360832149.db2.gz DHUVBCOAISPAJW-ZCFIWIBFSA-N 0 0 322.171 2.442 10 30 DEEERN C=CCNC(=O)NC(=O)CN(Cc1ccccc1F)CC1CC1 ZINC000604291693 360895891 /nfs/dbraw/zinc/89/58/91/360895891.db2.gz RPVWFTKYWUEEAG-UHFFFAOYSA-N 0 0 319.380 2.050 10 30 DEEERN C=C(C)[C@@H](CC(=O)N[C@@H](C(=O)OC)c1cccc(O)c1)OCC ZINC000271904359 209312123 /nfs/dbraw/zinc/31/21/23/209312123.db2.gz KXFMNLCJPDZIFV-GDBMZVCRSA-N 0 0 321.373 2.094 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)COCc1ccc(OC)nc1 ZINC000628142978 366737319 /nfs/dbraw/zinc/73/73/19/366737319.db2.gz XHDZZPCJQGQYEL-GASCZTMLSA-N 0 0 302.374 2.316 10 30 DEEERN CN(C)C(=O)C1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000609893443 361348342 /nfs/dbraw/zinc/34/83/42/361348342.db2.gz IDRVIGBVNYKENX-UHFFFAOYSA-N 0 0 308.385 2.411 10 30 DEEERN N#Cc1ccc(CNC(=O)NCCc2ccc(O)cc2)c(F)c1 ZINC000609636534 361331112 /nfs/dbraw/zinc/33/11/12/361331112.db2.gz PNOUBBXATRJSHF-UHFFFAOYSA-N 0 0 313.332 2.445 10 30 DEEERN COC(=O)CCCCCCCNC(=O)c1ccnc(C#N)c1 ZINC000193532292 201071231 /nfs/dbraw/zinc/07/12/31/201071231.db2.gz CEHMBJUFDDNQGE-UHFFFAOYSA-N 0 0 303.362 2.197 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccccc2-n2cncn2)c1 ZINC000610519260 361415066 /nfs/dbraw/zinc/41/50/66/361415066.db2.gz PZRNPDCGHLNXDH-UHFFFAOYSA-N 0 0 303.325 2.320 10 30 DEEERN N#Cc1cc(C(=O)N2CCC(O)(c3ccccc3)CC2)ccn1 ZINC000193837687 201131119 /nfs/dbraw/zinc/13/11/19/201131119.db2.gz HQIIYQBRHQQGRG-UHFFFAOYSA-N 0 0 307.353 2.077 10 30 DEEERN C=CC(C)(C)CCNC(=O)CN1CCc2ccccc2C1=O ZINC000628313112 366806607 /nfs/dbraw/zinc/80/66/07/366806607.db2.gz CJGZZAYCUSHSCY-UHFFFAOYSA-N 0 0 300.402 2.403 10 30 DEEERN CN(C)c1ccc([C@H](O)CNC(=O)c2ccc(C#N)cc2)cc1 ZINC000090746032 192928516 /nfs/dbraw/zinc/92/85/16/192928516.db2.gz OBBWJRIMLKJIKZ-QGZVFWFLSA-N 0 0 309.369 2.088 10 30 DEEERN CC1(C#N)CCN(C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000611557211 361630205 /nfs/dbraw/zinc/63/02/05/361630205.db2.gz BREYAGQDJFAZPX-UHFFFAOYSA-N 0 0 312.373 2.130 10 30 DEEERN C=CCOCCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000611561539 361631811 /nfs/dbraw/zinc/63/18/11/361631811.db2.gz ZGHOIGTWWSRDHT-OAHLLOKOSA-N 0 0 316.361 2.210 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C1CCCCC1 ZINC000611998314 361722066 /nfs/dbraw/zinc/72/20/66/361722066.db2.gz KQPDUCKEXNTECO-KBMXLJTQSA-N 0 0 322.449 2.026 10 30 DEEERN CC(=O)N1CCC[C@H](CNc2cc(C#N)nc3ccccc32)C1 ZINC000619502773 363812659 /nfs/dbraw/zinc/81/26/59/363812659.db2.gz SNXOMCLUJKGZOZ-CQSZACIVSA-N 0 0 308.385 2.199 10 30 DEEERN Cc1nc(CS(=O)(=O)NCC2CCC(C#N)CC2)cs1 ZINC000619681777 363853317 /nfs/dbraw/zinc/85/33/17/363853317.db2.gz ILULIMVUHXZEHI-UHFFFAOYSA-N 0 0 313.448 2.201 10 30 DEEERN CO[C@@H]1CCN(C(=O)NCc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000619668909 363850843 /nfs/dbraw/zinc/85/08/43/363850843.db2.gz WRZGRUHWCVZLQJ-SMDDNHRTSA-N 0 0 305.353 2.406 10 30 DEEERN CO[C@@H]1CCN(C(=O)NCc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000619668906 363851296 /nfs/dbraw/zinc/85/12/96/363851296.db2.gz WRZGRUHWCVZLQJ-BXUZGUMPSA-N 0 0 305.353 2.406 10 30 DEEERN N#Cc1ccnc(NC(=O)c2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000448398239 239334265 /nfs/dbraw/zinc/33/42/65/239334265.db2.gz RVOJPJDABCPPBX-OAHLLOKOSA-N 0 0 309.325 2.373 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cnc2ccccc2c1=O ZINC000620313843 364013771 /nfs/dbraw/zinc/01/37/71/364013771.db2.gz FQNXVHLVMJNNLF-GASCZTMLSA-N 0 0 323.396 2.496 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCOc1cccc(C(N)=O)c1 ZINC000620308814 364013835 /nfs/dbraw/zinc/01/38/35/364013835.db2.gz DFTHYWXAPFGEQE-GASCZTMLSA-N 0 0 314.385 2.264 10 30 DEEERN C=C[C@](C)(O)C(=O)Nc1nc(CN2CCCCCC2)cs1 ZINC000621393063 364388786 /nfs/dbraw/zinc/38/87/86/364388786.db2.gz BCTZBKXDWZGQFZ-HNNXBMFYSA-N 0 0 309.435 2.395 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000628402202 366842163 /nfs/dbraw/zinc/84/21/63/366842163.db2.gz IUEQGYDBWAGWRU-GVXVVHGQSA-N 0 0 302.365 2.207 10 30 DEEERN C=CC[C@H]1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000628487451 366864948 /nfs/dbraw/zinc/86/49/48/366864948.db2.gz FWCKTZLGZMUQAO-FUHWJXTLSA-N 0 0 314.429 2.312 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2nc(-c3cnn(C)c3)oc2C)C1 ZINC000628488471 366865093 /nfs/dbraw/zinc/86/50/93/366865093.db2.gz AFZCYGBNUSMZOJ-LBPRGKRZSA-N 0 0 300.362 2.422 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc(C)cc(C2CC2)n1 ZINC000622873466 364817770 /nfs/dbraw/zinc/81/77/70/364817770.db2.gz OYSJNPOBZRVRSF-CQSZACIVSA-N 0 0 302.378 2.072 10 30 DEEERN C=CC[C@H](CC)NC(=O)N[C@@H]1c2ccccc2CN(C)C1=O ZINC000623211750 364922114 /nfs/dbraw/zinc/92/21/14/364922114.db2.gz HFEQBTGBTLPZOW-DZGCQCFKSA-N 0 0 301.390 2.354 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)C1 ZINC000623547652 365072063 /nfs/dbraw/zinc/07/20/63/365072063.db2.gz WRVBAMINRZHMOV-RBSFLKMASA-N 0 0 307.438 2.384 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)C1 ZINC000623547651 365072535 /nfs/dbraw/zinc/07/25/35/365072535.db2.gz WRVBAMINRZHMOV-QLFBSQMISA-N 0 0 307.438 2.384 10 30 DEEERN Cn1ncnc1NC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000091181876 193012736 /nfs/dbraw/zinc/01/27/36/193012736.db2.gz DYIWORIDWQXMRY-LBPRGKRZSA-N 0 0 321.768 2.088 10 30 DEEERN CSC1(C#N)CCN([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000091474470 193061315 /nfs/dbraw/zinc/06/13/15/193061315.db2.gz WZDBFLCIHMTZDB-AWEZNQCLSA-N 0 0 309.479 2.499 10 30 DEEERN Cc1ccc2cc(CN3CCNC[C@@H]3C#N)c(Cl)nc2c1 ZINC000091748795 193101762 /nfs/dbraw/zinc/10/17/62/193101762.db2.gz MLKAYWSUWXLDIA-AWEZNQCLSA-N 0 0 300.793 2.494 10 30 DEEERN C=CC(C)(C)CCNC(=O)N(CC)[C@H](C)CS(C)(=O)=O ZINC000624466084 365431197 /nfs/dbraw/zinc/43/11/97/365431197.db2.gz HTZKFGZUDCAUJH-GFCCVEGCSA-N 0 0 304.456 2.053 10 30 DEEERN C[C@@H]1CCCN(C(=O)N(C)Cc2cc(C#CCO)cs2)C1 ZINC000091992330 193138663 /nfs/dbraw/zinc/13/86/63/193138663.db2.gz RGIVLUCQAPINJG-CYBMUJFWSA-N 0 0 306.431 2.376 10 30 DEEERN CCc1ccc([C@@H]2COCCN2C(=O)c2ccc(C#N)n2C)o1 ZINC000449899594 241230037 /nfs/dbraw/zinc/23/00/37/241230037.db2.gz RYIBQAHYNKLNLA-HNNXBMFYSA-N 0 0 313.357 2.266 10 30 DEEERN COc1ccccc1O[C@H](C)CNC(=O)c1ccc(C#N)n1C ZINC000449973130 241311993 /nfs/dbraw/zinc/31/19/93/241311993.db2.gz HWWSWWOYFHGVNY-GFCCVEGCSA-N 0 0 313.357 2.103 10 30 DEEERN COC[C@H](NC(=O)c1ccc(C#N)n1C)c1ccc(F)cc1 ZINC000450006774 241345587 /nfs/dbraw/zinc/34/55/87/241345587.db2.gz VLGYOWKPGXPZKS-AWEZNQCLSA-N 0 0 301.321 2.153 10 30 DEEERN CC(=O)c1cc(C(=O)N2CCc3c(CC#N)cccc3C2)n(C)c1 ZINC000629481329 367216546 /nfs/dbraw/zinc/21/65/46/367216546.db2.gz IPTHMZJHUNMATN-UHFFFAOYSA-N 0 0 321.380 2.492 10 30 DEEERN C=C1CC(C)(C(=O)NCc2ccc(NS(C)(=O)=O)cc2)C1 ZINC000630752589 367829624 /nfs/dbraw/zinc/82/96/24/367829624.db2.gz USZMQSALIIQVMU-UHFFFAOYSA-N 0 0 308.403 2.031 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H](C)Oc2ccc(OC)cc2)C1=O ZINC000630970471 367942507 /nfs/dbraw/zinc/94/25/07/367942507.db2.gz MXEPFLWSOZJVTB-DOMZBBRYSA-N 0 0 318.373 2.349 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCc2cn3cccc(C)c3n2)C1=O ZINC000630974738 367945183 /nfs/dbraw/zinc/94/51/83/367945183.db2.gz RPMAAQADVJZILO-CQSZACIVSA-N 0 0 312.373 2.072 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2cn(CCCC)nc2C)C1=O ZINC000630979879 367948574 /nfs/dbraw/zinc/94/85/74/367948574.db2.gz UYBWZELNDYOIJT-AWEZNQCLSA-N 0 0 304.394 2.378 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@]2(C)COc3ccccc3O2)C1=O ZINC000630985302 367950603 /nfs/dbraw/zinc/95/06/03/367950603.db2.gz GVYIRLKDCTYFFU-SJKOYZFVSA-N 0 0 316.357 2.103 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2cnccc2C(F)(F)F)C1=O ZINC000630985104 367950943 /nfs/dbraw/zinc/95/09/43/367950943.db2.gz DAEMPJYMGHGQQN-LLVKDONJSA-N 0 0 313.279 2.487 10 30 DEEERN C=CCN1CC[C@H](Sc2nc(C)c(C3CC3)c(=O)[nH]2)C1=O ZINC000631023202 367972354 /nfs/dbraw/zinc/97/23/54/367972354.db2.gz LJPSIHFGVNDMFW-NSHDSACASA-N 0 0 305.403 2.247 10 30 DEEERN C=C1CC(C)(C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)C1 ZINC000631483031 368247626 /nfs/dbraw/zinc/24/76/26/368247626.db2.gz KYBQQHQALNIIFN-UHFFFAOYSA-N 0 0 316.376 2.353 10 30 DEEERN Cc1nn(C)cc1CC(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000451598773 243178787 /nfs/dbraw/zinc/17/87/87/243178787.db2.gz FMUXVZUXOOKZQX-UHFFFAOYSA-N 0 0 309.373 2.356 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000632010411 368489828 /nfs/dbraw/zinc/48/98/28/368489828.db2.gz WJYBVQWFRLWKME-SNVBAGLBSA-N 0 0 304.312 2.012 10 30 DEEERN C=CCOCCCC(=O)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000452478267 244320741 /nfs/dbraw/zinc/32/07/41/244320741.db2.gz LBCDTURKQAGFQT-SJLPKXTDSA-N 0 0 321.392 2.296 10 30 DEEERN C=CC(C)(C)CNC(=O)CN1c2ccccc2SCC1=O ZINC000452780157 244601237 /nfs/dbraw/zinc/60/12/37/244601237.db2.gz WNWJUTNSXRRVNS-UHFFFAOYSA-N 0 0 304.415 2.454 10 30 DEEERN CN[C@@]1(C#N)CCC[C@H]1CCSc1ncnc2[nH]cnc21 ZINC000093581084 193270174 /nfs/dbraw/zinc/27/01/74/193270174.db2.gz KRIMMLZOSCPCDB-IINYFYTJSA-N 0 0 302.407 2.117 10 30 DEEERN CCCN[C@@]1(C#N)CCC[C@@H](Sc2nnnn2C2CC2)C1 ZINC000093746941 193300818 /nfs/dbraw/zinc/30/08/18/193300818.db2.gz HWLAKGCSKJPMGY-OCCSQVGLSA-N 0 0 306.439 2.305 10 30 DEEERN CN[C@@]1(C#N)CC[C@H](Sc2ccc(S(C)(=O)=O)cc2)C1 ZINC000093807102 193310854 /nfs/dbraw/zinc/31/08/54/193310854.db2.gz MZCBSUCEIZZNLO-JSGCOSHPSA-N 0 0 310.444 2.216 10 30 DEEERN C[C@H]1CN(C(=O)c2csc(C#CCCO)c2)C[C@H](C)S1 ZINC000093975265 193332644 /nfs/dbraw/zinc/33/26/44/193332644.db2.gz LWRADMSCPMFPHW-RYUDHWBXSA-N 0 0 309.456 2.448 10 30 DEEERN Cc1ncsc1CN(C)C(=O)c1csc(C#CCO)c1 ZINC000093975202 193332967 /nfs/dbraw/zinc/33/29/67/193332967.db2.gz MUECYYPTAINLIB-UHFFFAOYSA-N 0 0 306.412 2.129 10 30 DEEERN CN(Cc1cccc(C#N)c1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094636461 193386724 /nfs/dbraw/zinc/38/67/24/193386724.db2.gz QCVPQJWXEWXGHJ-HOTGVXAUSA-N 0 0 306.431 2.346 10 30 DEEERN Cc1ncccc1C(=O)N(C)Cc1csc(C#CCO)c1 ZINC000094649375 193391038 /nfs/dbraw/zinc/39/10/38/193391038.db2.gz DTBOHWJVYDLUPB-UHFFFAOYSA-N 0 0 300.383 2.068 10 30 DEEERN Cc1cc(C(=O)N2CCOC(C)(C)C2)sc1C#CCCO ZINC000094533905 193377223 /nfs/dbraw/zinc/37/72/23/193377223.db2.gz PZQMTEBJQVZOEW-UHFFFAOYSA-N 0 0 307.415 2.041 10 30 DEEERN C=C(C)Cn1c(N(C)CCCCCO)nnc1[C@]1(C)CCCO1 ZINC000453459507 245156305 /nfs/dbraw/zinc/15/63/05/245156305.db2.gz BZDWKGIVPFVEOH-KRWDZBQOSA-N 0 0 322.453 2.479 10 30 DEEERN Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H]2CCCC(F)(F)C2)c1 ZINC000453679693 245251959 /nfs/dbraw/zinc/25/19/59/245251959.db2.gz UNHYDWGTYRSVMR-LBPRGKRZSA-N 0 0 321.327 2.499 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NCC1(CC)COC1 ZINC000453976721 245377660 /nfs/dbraw/zinc/37/76/60/245377660.db2.gz QUVNDXHBNUTPSX-UHFFFAOYSA-N 0 0 316.401 2.287 10 30 DEEERN C=C(C)CNC(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000161212868 197475608 /nfs/dbraw/zinc/47/56/08/197475608.db2.gz FWNGFQHFBGYCMI-CQSZACIVSA-N 0 0 310.344 2.412 10 30 DEEERN CCC(O)(CC)CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000160224156 197394016 /nfs/dbraw/zinc/39/40/16/197394016.db2.gz WJTPAVIAVDYCAY-UHFFFAOYSA-N 0 0 316.810 2.041 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC1(CF)CCOCC1 ZINC000454898490 246234061 /nfs/dbraw/zinc/23/40/61/246234061.db2.gz KOMNYBPZVLDNTE-KGLIPLIRSA-N 0 0 314.401 2.033 10 30 DEEERN C=CCC[C@H](NC(=O)c1nc(C2CC2)oc1C)C(=O)OCC ZINC000456602018 247301303 /nfs/dbraw/zinc/30/13/03/247301303.db2.gz HASWMBGZVMKFCM-LBPRGKRZSA-N 0 0 306.362 2.488 10 30 DEEERN CC(=O)[C@@H]1CC(C(=O)NC2(C#N)CCCC2)=NN1c1ccccc1 ZINC000101642169 193831361 /nfs/dbraw/zinc/83/13/61/193831361.db2.gz HXFUADDOPARUTF-INIZCTEOSA-N 0 0 324.384 2.163 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1cccc(S(=O)(=O)NCC)c1 ZINC000457897270 248061146 /nfs/dbraw/zinc/06/11/46/248061146.db2.gz SSGRONHQZHLIEK-CYBMUJFWSA-N 0 0 324.446 2.203 10 30 DEEERN C=CCC1(CNC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)CCCC1 ZINC000458424294 248302655 /nfs/dbraw/zinc/30/26/55/248302655.db2.gz RWCJISZBSRFQJW-ZIAGYGMSSA-N 0 0 307.438 2.466 10 30 DEEERN C=CCC1(CNC(=O)NCCc2nnc3n2CCC3)CCCC1 ZINC000458530041 248358337 /nfs/dbraw/zinc/35/83/37/248358337.db2.gz VATOMVFWQHFXCU-UHFFFAOYSA-N 0 0 317.437 2.203 10 30 DEEERN C#CCn1c(CCNC(=O)c2ccccn2)nc2ccccc21 ZINC000040184586 183044616 /nfs/dbraw/zinc/04/46/16/183044616.db2.gz AQADSTHLXKSSJB-UHFFFAOYSA-N 0 0 304.353 2.037 10 30 DEEERN N#C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)C2CC2)CC1 ZINC000041260059 183181861 /nfs/dbraw/zinc/18/18/61/183181861.db2.gz CWSMTEIMEUOAKB-HNNXBMFYSA-N 0 0 303.793 2.459 10 30 DEEERN CCN(C[C@H](C)/C(N)=N/O)c1ncccc1Br ZINC000042445411 183272135 /nfs/dbraw/zinc/27/21/35/183272135.db2.gz CKNCCBNHPTXWRC-QMMMGPOBSA-N 0 0 301.188 2.053 10 30 DEEERN C[C@H](N(C)S(=O)(=O)c1ccccc1C#CCO)C(C)(C)C ZINC000042798017 183310868 /nfs/dbraw/zinc/31/08/68/183310868.db2.gz ATLVCILGFZFGOR-ZDUSSCGKSA-N 0 0 309.431 2.086 10 30 DEEERN N#Cc1ccc(CN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c(F)c1 ZINC000284648848 218115233 /nfs/dbraw/zinc/11/52/33/218115233.db2.gz NCLVVJFEIMGRIF-UAGQMJEPSA-N 0 0 304.365 2.059 10 30 DEEERN C[C@@H](NC(=O)N1CCO[C@@H](C#N)C1)c1ccc(F)c(Cl)c1 ZINC000106335207 194197746 /nfs/dbraw/zinc/19/77/46/194197746.db2.gz GDCKVCIANJWLPQ-KOLCDFICSA-N 0 0 311.744 2.474 10 30 DEEERN CC(C)CCN(C)S(=O)(=O)c1cccc(C#CCCO)c1 ZINC000048923972 183696853 /nfs/dbraw/zinc/69/68/53/183696853.db2.gz LWLKMLYAQPIVBC-UHFFFAOYSA-N 0 0 309.431 2.087 10 30 DEEERN COc1ccc(C#CCO)cc1NC(=O)Cc1cccs1 ZINC000049589080 183744702 /nfs/dbraw/zinc/74/47/02/183744702.db2.gz WRUXAQVJQOEHMN-UHFFFAOYSA-N 0 0 301.367 2.282 10 30 DEEERN Cc1ccc(C#N)cc1NS(=O)(=O)Cc1ccccc1N ZINC000050429008 183786474 /nfs/dbraw/zinc/78/64/74/183786474.db2.gz JGUPUJYVTNVVJR-UHFFFAOYSA-N 0 0 301.371 2.391 10 30 DEEERN CCN(CCC#N)C(=O)c1cc(Br)cnc1NC ZINC000050786022 183804027 /nfs/dbraw/zinc/80/40/27/183804027.db2.gz ICNJLXDCERRXMR-UHFFFAOYSA-N 0 0 311.183 2.262 10 30 DEEERN COc1cc(Cl)ccc1C(=O)N1CCN([C@H](C)C#N)CC1 ZINC000109445760 194264171 /nfs/dbraw/zinc/26/41/71/194264171.db2.gz BYDMIYNTZLHLAW-LLVKDONJSA-N 0 0 307.781 2.018 10 30 DEEERN Cc1nnc(SCc2ccc(F)c(C#CCCO)c2)n1C ZINC000109982389 194302448 /nfs/dbraw/zinc/30/24/48/194302448.db2.gz MVNSHOWIDQCLJJ-UHFFFAOYSA-N 0 0 305.378 2.289 10 30 DEEERN N#CCOc1ccc(CC(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000110258574 194317799 /nfs/dbraw/zinc/31/77/99/194317799.db2.gz DQFTWIJYSWELGF-MRXNPFEDSA-N 0 0 308.337 2.381 10 30 DEEERN CC(C)CC(=O)N[C@H](C(=O)Nc1ccc(C#N)cn1)C(C)C ZINC000110288548 194320239 /nfs/dbraw/zinc/32/02/39/194320239.db2.gz JLPHGRYHZGTMCI-HNNXBMFYSA-N 0 0 302.378 2.079 10 30 DEEERN C#CCOC[C@H]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000056923491 184021707 /nfs/dbraw/zinc/02/17/07/184021707.db2.gz UHBKOKXBQUJCRX-ZDUSSCGKSA-N 0 0 316.357 2.309 10 30 DEEERN C[C@@H](NS(=O)(=O)c1ccc(N)cc1C#N)c1ccsc1 ZINC000061360491 184168887 /nfs/dbraw/zinc/16/88/87/184168887.db2.gz NWBFMKFRYXDQQU-SECBINFHSA-N 0 0 307.400 2.241 10 30 DEEERN O=C(Nc1ccc(Cl)cc1F)c1ccc(C#CCO)cn1 ZINC000061862416 184190112 /nfs/dbraw/zinc/19/01/12/184190112.db2.gz HGUCHNFMNDKDRR-UHFFFAOYSA-N 0 0 304.708 2.470 10 30 DEEERN CNc1ccccc1S(=O)(=O)N(C)c1cccc(C#N)c1 ZINC000061949080 184198483 /nfs/dbraw/zinc/19/84/83/184198483.db2.gz QGMIXONBUDXMNQ-UHFFFAOYSA-N 0 0 301.371 2.425 10 30 DEEERN Cc1ccc(C#CCO)cc1S(=O)(=O)NCCCC(C)C ZINC000062096543 184205816 /nfs/dbraw/zinc/20/58/16/184205816.db2.gz GGSGFLYBLJCJON-UHFFFAOYSA-N 0 0 309.431 2.053 10 30 DEEERN N/C(=N/O)c1ccc(Cl)cc1-n1cc(Br)cn1 ZINC000062789578 184253229 /nfs/dbraw/zinc/25/32/29/184253229.db2.gz HUEBGTBHMFTUNR-UHFFFAOYSA-N 0 0 315.558 2.383 10 30 DEEERN N#Cc1ccc(CS(=O)(=O)Nc2cc(F)ccc2N)cc1 ZINC000063202555 184278554 /nfs/dbraw/zinc/27/85/54/184278554.db2.gz PEJONVQWYFFZNG-UHFFFAOYSA-N 0 0 305.334 2.221 10 30 DEEERN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C(C)C ZINC000067320708 184459948 /nfs/dbraw/zinc/45/99/48/184459948.db2.gz CFRDLTKTBUFAJU-LLVKDONJSA-N 0 0 303.362 2.056 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000119699289 195020882 /nfs/dbraw/zinc/02/08/82/195020882.db2.gz CQBQJUAYWGQRNX-UHFFFAOYSA-N 0 0 313.401 2.197 10 30 DEEERN C#CC[C@@H](NC(=O)[C@H]1CSCN1C(=O)CC)c1ccccc1 ZINC000270180589 208242658 /nfs/dbraw/zinc/24/26/58/208242658.db2.gz BOEYTLPYVVSADP-HUUCEWRRSA-N 0 0 316.426 2.179 10 30 DEEERN C[C@@H](N(C)CCS(=O)(=O)c1cccc(C#N)c1)C1(C)CC1 ZINC000156838490 197144059 /nfs/dbraw/zinc/14/40/59/197144059.db2.gz UTTBWCCWQHAMHU-CYBMUJFWSA-N 0 0 306.431 2.452 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000156794998 197141231 /nfs/dbraw/zinc/14/12/31/197141231.db2.gz YRKQFBCGWNLTQQ-LBPRGKRZSA-N 0 0 309.373 2.286 10 30 DEEERN C[C@H]1SCCN(CCS(=O)(=O)c2cccc(C#N)c2)[C@H]1C ZINC000156765681 197139402 /nfs/dbraw/zinc/13/94/02/197139402.db2.gz KBTKMKXVSVFXKT-QWHCGFSZSA-N 0 0 324.471 2.158 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccc([S@@](C)=O)c(F)c1 ZINC000156405978 197110826 /nfs/dbraw/zinc/11/08/26/197110826.db2.gz FUULVAUQMOLLNS-NRFANRHFSA-N 0 0 305.334 2.026 10 30 DEEERN CCN(CC)C(=O)[C@H]1CCCN1Cc1cc(C#N)ccc1OC ZINC000156374659 197107859 /nfs/dbraw/zinc/10/78/59/197107859.db2.gz UXHQBOFMQFNLQD-MRXNPFEDSA-N 0 0 315.417 2.400 10 30 DEEERN Cc1c(C#CCCO)cccc1C(=O)NC[C@@H]1CCCS1 ZINC000155932917 197076138 /nfs/dbraw/zinc/07/61/38/197076138.db2.gz RGQBLDCFRNBWNJ-HNNXBMFYSA-N 0 0 303.427 2.354 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)Nc1ccnn1CCC ZINC000153575764 196889521 /nfs/dbraw/zinc/88/95/21/196889521.db2.gz KTERMXRUJAJXKT-UHFFFAOYSA-N 0 0 306.410 2.436 10 30 DEEERN CO[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@@H]1Cc1ccncc1 ZINC000247858768 257115917 /nfs/dbraw/zinc/11/59/17/257115917.db2.gz VIUYPLUQGQMJEB-QZTJIDSGSA-N 0 0 321.380 2.425 10 30 DEEERN COCCOc1ccc(CNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000531386331 269741850 /nfs/dbraw/zinc/74/18/50/269741850.db2.gz CONCULFBLZNKMQ-UHFFFAOYSA-N 0 0 324.380 2.442 10 30 DEEERN COC(=O)C12CCC(C(=O)N[C@H]3CCC[C@H]3C#N)(CC1)CC2 ZINC000408020380 533262236 /nfs/dbraw/zinc/26/22/36/533262236.db2.gz HMYXVDZBGAWHCP-SCQRFTTHSA-N 0 0 304.390 2.308 10 30 DEEERN C[C@@H](Nc1nccnc1C#N)C1CCN(CC(F)(F)F)CC1 ZINC000302522521 533568244 /nfs/dbraw/zinc/56/82/44/533568244.db2.gz BZTGCAXWMXFRLB-SNVBAGLBSA-N 0 0 313.327 2.423 10 30 DEEERN N#Cc1ccc(CC(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1 ZINC000194750594 132541209 /nfs/dbraw/zinc/54/12/09/132541209.db2.gz RRGCTEWIANNSJF-UHFFFAOYSA-N 0 0 307.309 2.070 10 30 DEEERN CCCN(C(=O)c1sccc1C#N)[C@@H](COC)C(=O)OCC ZINC000360451504 133183106 /nfs/dbraw/zinc/18/31/06/133183106.db2.gz GNNDDPURHKIDFC-LBPRGKRZSA-N 0 0 324.402 2.050 10 30 DEEERN N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)NC2CC2)cc1 ZINC000091043932 144598299 /nfs/dbraw/zinc/59/82/99/144598299.db2.gz SVMHPKXXAFZXEQ-UHFFFAOYSA-N 0 0 319.364 2.120 10 30 DEEERN COCCn1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cn1 ZINC000188434751 145012212 /nfs/dbraw/zinc/01/22/12/145012212.db2.gz AZVBPQZCYWLBNU-UHFFFAOYSA-N 0 0 310.357 2.071 10 30 DEEERN CCOC(=O)C[C@@H](C)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188520040 145013240 /nfs/dbraw/zinc/01/32/40/145013240.db2.gz QVGVLWGRTAOQSF-GFCCVEGCSA-N 0 0 300.358 2.048 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1sccc1C#N ZINC000190704417 145046707 /nfs/dbraw/zinc/04/67/07/145046707.db2.gz OVIGZQZIEMEFKP-WOPDTQHZSA-N 0 0 304.371 2.033 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(F)c(C#N)c1 ZINC000191193875 145054258 /nfs/dbraw/zinc/05/42/58/145054258.db2.gz VBIDZNBVWFOZJK-XPKDYRNWSA-N 0 0 302.349 2.471 10 30 DEEERN N#Cc1cc(C(=O)NCCNc2nc3ccccc3s2)ccn1 ZINC000192661242 145077125 /nfs/dbraw/zinc/07/71/25/145077125.db2.gz WUYHVJIEUNLCSE-UHFFFAOYSA-N 0 0 323.381 2.405 10 30 DEEERN CO[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC[C@@H]1C ZINC000252004905 145198263 /nfs/dbraw/zinc/19/82/63/145198263.db2.gz WYSNFUSJDHMXHK-HEHGZKQESA-N 0 0 301.390 2.242 10 30 DEEERN CC(=O)N[C@@H](CC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000253490067 145202616 /nfs/dbraw/zinc/20/26/16/145202616.db2.gz HJQWUIKUGFRMNQ-SFHVURJKSA-N 0 0 321.380 2.442 10 30 DEEERN N#Cc1cc(Br)cnc1N1CCC[C@@H]1CCCO ZINC000336786794 145397602 /nfs/dbraw/zinc/39/76/02/145397602.db2.gz CNIKDOJTRAYCSN-GFCCVEGCSA-N 0 0 310.195 2.457 10 30 DEEERN C[C@H](NCC(=O)NCC(F)(F)F)c1ccc(C#N)cc1F ZINC000358436051 147134111 /nfs/dbraw/zinc/13/41/11/147134111.db2.gz RHJJXWVLUVJWMT-QMMMGPOBSA-N 0 0 303.259 2.026 10 30 DEEERN Cc1ccnc(C2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)n1 ZINC000371823610 148143666 /nfs/dbraw/zinc/14/36/66/148143666.db2.gz RJVSIOKYFLRRMJ-UHFFFAOYSA-N 0 0 324.344 2.344 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](CC(N)=O)C1CCCCC1 ZINC000127335194 401729668 /nfs/dbraw/zinc/72/96/68/401729668.db2.gz UOSFHGKUGPTUOG-INIZCTEOSA-N 0 0 313.401 2.421 10 30 DEEERN CC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)C[C@H](C)O1 ZINC000111015993 401697745 /nfs/dbraw/zinc/69/77/45/401697745.db2.gz IPCKQCAJQVHWNB-GZBFAFLISA-N 0 0 302.374 2.351 10 30 DEEERN N#Cc1c(Cl)cccc1S(=O)(=O)N1CCCSCC1 ZINC000072990336 401715213 /nfs/dbraw/zinc/71/52/13/401715213.db2.gz WVEUEOYMNGTCMO-UHFFFAOYSA-N 0 0 316.835 2.339 10 30 DEEERN C=CCCCN(C)C(=O)CCNC(=O)c1ccc(C)cc1O ZINC000129250735 401800909 /nfs/dbraw/zinc/80/09/09/401800909.db2.gz XJCVZOOAIXFSMA-UHFFFAOYSA-N 0 0 304.390 2.245 10 30 DEEERN COc1ccc(NCc2ccc(C#N)o2)cc1-n1nnnc1C ZINC000128362717 401773465 /nfs/dbraw/zinc/77/34/65/401773465.db2.gz DGJVKQQJIIVCED-UHFFFAOYSA-N 0 0 310.317 2.056 10 30 DEEERN C=CCCC(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000356381737 404488850 /nfs/dbraw/zinc/48/88/50/404488850.db2.gz JKVZBXREQOEDNE-CQSZACIVSA-N 0 0 314.364 2.481 10 30 DEEERN CN1C(=O)C[C@@H](NC(=O)C(C)(C)C#N)[C@H]1c1ccc(Cl)cc1 ZINC000130092046 401818069 /nfs/dbraw/zinc/81/80/69/401818069.db2.gz MHWOQBVWWFPIPS-TZMCWYRMSA-N 0 0 319.792 2.278 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000077861509 401835567 /nfs/dbraw/zinc/83/55/67/401835567.db2.gz VPCKOFUBRQRANV-UHFFFAOYSA-N 0 0 306.362 2.067 10 30 DEEERN Cn1cc([C@@H]2CCN(C(=O)Nc3ccc(F)c(C#N)c3)C2)cn1 ZINC000116498077 401853550 /nfs/dbraw/zinc/85/35/50/401853550.db2.gz HGLWYEUCTVRHPE-LLVKDONJSA-N 0 0 313.336 2.452 10 30 DEEERN C=CC[C@H](C)NC(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000116936784 401864734 /nfs/dbraw/zinc/86/47/34/401864734.db2.gz HWAGVFTZYNWLJO-HNNXBMFYSA-N 0 0 317.433 2.283 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N1CCN(c2nccc(OCC)n2)CC1 ZINC000135024845 401924582 /nfs/dbraw/zinc/92/45/82/401924582.db2.gz PYMGHOKXXSCCSM-KRWDZBQOSA-N 0 0 318.421 2.126 10 30 DEEERN CCCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2C)C1 ZINC000119102381 401926076 /nfs/dbraw/zinc/92/60/76/401926076.db2.gz HDIDGYUAIBMYMD-OAHLLOKOSA-N 0 0 313.401 2.388 10 30 DEEERN C#CCN(Cc1ccc(F)cc1)C(=O)NCCn1cc(C)cn1 ZINC000118081286 401890851 /nfs/dbraw/zinc/89/08/51/401890851.db2.gz WPXJTHLTFXZROE-UHFFFAOYSA-N 0 0 314.364 2.176 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)NCCn1cc(C)cn1 ZINC000118080208 401890908 /nfs/dbraw/zinc/89/09/08/401890908.db2.gz MOJOPSADJYQVAA-UHFFFAOYSA-N 0 0 323.400 2.461 10 30 DEEERN C=CCOCCCC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000134839594 401916242 /nfs/dbraw/zinc/91/62/42/401916242.db2.gz FZCOJESDQVHZJJ-CYBMUJFWSA-N 0 0 323.824 2.413 10 30 DEEERN C#CCSCCNC(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000118983492 401917304 /nfs/dbraw/zinc/91/73/04/401917304.db2.gz YAWRMCZPWGMKKU-GFCCVEGCSA-N 0 0 310.444 2.197 10 30 DEEERN Cc1ccnc(-n2nccc2NC(=O)c2cc(C#N)cn2C)c1 ZINC000135678192 401950890 /nfs/dbraw/zinc/95/08/90/401950890.db2.gz NLRYHIKCICZNCT-UHFFFAOYSA-N 0 0 306.329 2.038 10 30 DEEERN C=CCN(Cc1ccccc1F)S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000135537194 401943684 /nfs/dbraw/zinc/94/36/84/401943684.db2.gz QSSZVCDKWSLHKM-WFASDCNBSA-N 0 0 313.394 2.321 10 30 DEEERN N#Cc1ccc(NC(=O)Nc2cnn(-c3ncccn3)c2)cc1 ZINC000121431240 402035775 /nfs/dbraw/zinc/03/57/75/402035775.db2.gz NDIZRZRKELIDQJ-UHFFFAOYSA-N 0 0 305.301 2.178 10 30 DEEERN C#CCOCCC(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000121531472 402041971 /nfs/dbraw/zinc/04/19/71/402041971.db2.gz FJCYRFHQAXRNFD-UHFFFAOYSA-N 0 0 313.397 2.456 10 30 DEEERN CS(=O)(=O)CCc1ccc(NCc2ccc(C#N)o2)cc1 ZINC000122444498 402079111 /nfs/dbraw/zinc/07/91/11/402079111.db2.gz WEGPTLVMLVNIPG-UHFFFAOYSA-N 0 0 304.371 2.350 10 30 DEEERN Cc1cc(C)n(C[C@H]2CN(Cc3ccc(C#N)s3)CCO2)n1 ZINC000122629420 402087770 /nfs/dbraw/zinc/08/77/70/402087770.db2.gz HQFRBALUEYPUOU-CQSZACIVSA-N 0 0 316.430 2.334 10 30 DEEERN N#CCOc1ccccc1C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000123084943 402109387 /nfs/dbraw/zinc/10/93/87/402109387.db2.gz SSOKWTCLUAIUCB-HNNXBMFYSA-N 0 0 323.352 2.277 10 30 DEEERN CCOCCN1CCN(C(=O)c2ccc(C#N)cc2C)C[C@H]1C ZINC000123854397 402150190 /nfs/dbraw/zinc/15/01/90/402150190.db2.gz WWVMXWHDWBYBDF-OAHLLOKOSA-N 0 0 315.417 2.050 10 30 DEEERN C=CCc1cc(C(=O)N(C)[C@@H]2CCOC2)cc(OC)c1OC ZINC000106839681 402217475 /nfs/dbraw/zinc/21/74/75/402217475.db2.gz ZXKDZSWOJVPZGB-CQSZACIVSA-N 0 0 305.374 2.293 10 30 DEEERN C=CCCCN(C)C(=O)NCc1ccc(CS(C)(=O)=O)cc1 ZINC000125265299 402222996 /nfs/dbraw/zinc/22/29/96/402222996.db2.gz JXIIGDQHUAGCDR-UHFFFAOYSA-N 0 0 324.446 2.339 10 30 DEEERN N#C[C@@H](NC(=O)CCc1nnc(-c2ccsc2)o1)C1CC1 ZINC000108833169 402262466 /nfs/dbraw/zinc/26/24/66/402262466.db2.gz PYHRKIYSSFVPTE-LLVKDONJSA-N 0 0 302.359 2.149 10 30 DEEERN N#C[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)C1CC1 ZINC000108841411 402262595 /nfs/dbraw/zinc/26/25/95/402262595.db2.gz RGYMSMQOSWDWLV-OAHLLOKOSA-N 0 0 324.384 2.477 10 30 DEEERN COc1ccc(C(=O)N[C@H](C#N)C2CC2)cc1Br ZINC000070976083 402268126 /nfs/dbraw/zinc/26/81/26/402268126.db2.gz AEXCXFVZURSYHJ-LLVKDONJSA-N 0 0 309.163 2.490 10 30 DEEERN C=C(C)COCCNC(=O)Nc1ncn(C2CCCCC2)n1 ZINC000184613157 402283769 /nfs/dbraw/zinc/28/37/69/402283769.db2.gz RKZOPTNQPZWSSK-UHFFFAOYSA-N 0 0 307.398 2.498 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(C[C@H](C)C(=O)OC)cc1 ZINC000184882529 402306950 /nfs/dbraw/zinc/30/69/50/402306950.db2.gz FEUHCCDSAWLWCW-SWLSCSKDSA-N 0 0 320.389 2.097 10 30 DEEERN Cc1cc(S(=O)(=O)NCCc2ccsc2)ccc1C#N ZINC000235856942 402364714 /nfs/dbraw/zinc/36/47/14/402364714.db2.gz DJUZPPGEKPQQEC-UHFFFAOYSA-N 0 0 306.412 2.449 10 30 DEEERN N#Cc1c[nH]c(C(=O)NCc2ncc(-c3ccccc3)cn2)c1 ZINC000185909685 402388214 /nfs/dbraw/zinc/38/82/14/402388214.db2.gz WCGLCYIOTBJVBR-UHFFFAOYSA-N 0 0 303.325 2.273 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000185872815 402384395 /nfs/dbraw/zinc/38/43/95/402384395.db2.gz HMIRQDOKHWSOAL-LBPRGKRZSA-N 0 0 305.765 2.397 10 30 DEEERN C[C@@H]1CCC[C@@H](CCNS(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000227119061 402330599 /nfs/dbraw/zinc/33/05/99/402330599.db2.gz QMQIRNZJHMYSJB-OLZOCXBDSA-N 0 0 307.419 2.448 10 30 DEEERN COC(=O)[C@H](N[C@H]1COc2ccccc21)c1cccc(C#N)c1 ZINC000176744495 402332583 /nfs/dbraw/zinc/33/25/83/402332583.db2.gz SVYHZUHHNNYJSO-DOTOQJQBSA-N 0 0 308.337 2.496 10 30 DEEERN C#CCCCCNC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000177461330 402404779 /nfs/dbraw/zinc/40/47/79/402404779.db2.gz YUPBKZANLKWDJX-AWEZNQCLSA-N 0 0 311.389 2.431 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(F)cc1OC(F)F ZINC000186206132 402410385 /nfs/dbraw/zinc/41/03/85/402410385.db2.gz QGEUIOPFEUJXPI-SECBINFHSA-N 0 0 304.268 2.486 10 30 DEEERN COCC1=CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000186236342 402413745 /nfs/dbraw/zinc/41/37/45/402413745.db2.gz IHPBCGHMMXTYFD-ZDUSSCGKSA-N 0 0 300.358 2.131 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC000185922691 402389619 /nfs/dbraw/zinc/38/96/19/402389619.db2.gz IKTPYGPOMYVTEG-LBPRGKRZSA-N 0 0 312.797 2.437 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cccc(OCc2cccnc2)c1 ZINC000185937585 402390745 /nfs/dbraw/zinc/39/07/45/402390745.db2.gz LRXCLEOLRCWFHU-MRXNPFEDSA-N 0 0 312.369 2.327 10 30 DEEERN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H]1c1cnn(C)c1 ZINC000245431922 402460307 /nfs/dbraw/zinc/46/03/07/402460307.db2.gz BABVRNQQOGKQND-GUYCJALGSA-N 0 0 323.400 2.456 10 30 DEEERN CCC1(CC)CN(C(=O)c2ccc(C#N)c(C)n2)CC[S@]1=O ZINC000186803902 402464972 /nfs/dbraw/zinc/46/49/72/402464972.db2.gz GWVZNZWVWYCJEC-JOCHJYFZSA-N 0 0 319.430 2.025 10 30 DEEERN CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@H]1C[C@H]1C(C)C ZINC000186881468 402469167 /nfs/dbraw/zinc/46/91/67/402469167.db2.gz VHCPNZFJBZTCSC-RYUDHWBXSA-N 0 0 318.377 2.204 10 30 DEEERN N#Cc1ccc(C2(C(=O)N3CC[C@@](O)(C(F)(F)F)C3)CC2)cc1 ZINC000187239204 402489174 /nfs/dbraw/zinc/48/91/74/402489174.db2.gz YCDLADLCHGWRTO-HNNXBMFYSA-N 0 0 324.302 2.116 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccn2ccnc2c1 ZINC000178381995 402491748 /nfs/dbraw/zinc/49/17/48/402491748.db2.gz FSMWMLVPYOOQAS-CYBMUJFWSA-N 0 0 320.352 2.290 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000170680794 402513700 /nfs/dbraw/zinc/51/37/00/402513700.db2.gz YTFPWYFQSFMQIK-UKRRQHHQSA-N 0 0 324.384 2.455 10 30 DEEERN COC(=O)[C@H](NC[C@H]1CCC(C)(C)O1)c1cccc(C#N)c1 ZINC000187649690 402507125 /nfs/dbraw/zinc/50/71/25/402507125.db2.gz VYLTUJQYRHCSTA-HUUCEWRRSA-N 0 0 302.374 2.320 10 30 DEEERN COC(=O)[C@@H](NCc1ccc(C#N)o1)c1ccc2c(c1)CCO2 ZINC000189613564 402548106 /nfs/dbraw/zinc/54/81/06/402548106.db2.gz UZOVXQGGCYFGOK-INIZCTEOSA-N 0 0 312.325 2.090 10 30 DEEERN CC(C)(C#N)c1ccc(NC(=O)NCC2(O)CCOCC2)cc1 ZINC000171370202 402581467 /nfs/dbraw/zinc/58/14/67/402581467.db2.gz XKRRAEMNVZRDPG-UHFFFAOYSA-N 0 0 317.389 2.151 10 30 DEEERN N#Cc1nccn1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000179870190 402603139 /nfs/dbraw/zinc/60/31/39/402603139.db2.gz GSHIXHGJZHDZAC-UHFFFAOYSA-N 0 0 320.106 2.209 10 30 DEEERN N#CCCCCNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000171741737 402617265 /nfs/dbraw/zinc/61/72/65/402617265.db2.gz MYCBRAWFVCEMFI-UHFFFAOYSA-N 0 0 301.394 2.043 10 30 DEEERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000190905431 402630580 /nfs/dbraw/zinc/63/05/80/402630580.db2.gz AKEHFCPPCQMGMT-HOCLYGCPSA-N 0 0 313.401 2.022 10 30 DEEERN Cc1cc(Cl)cc(C=O)c1OS(=O)(=O)CCCC#N ZINC000181412809 402644859 /nfs/dbraw/zinc/64/48/59/402644859.db2.gz NWHNEQGOFRMZQI-UHFFFAOYSA-N 0 0 301.751 2.473 10 30 DEEERN C[C@@H](CO[C@H]1CCOC1)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181548460 402649240 /nfs/dbraw/zinc/64/92/40/402649240.db2.gz LJAOUWDFUFTSEA-BBRMVZONSA-N 0 0 314.385 2.166 10 30 DEEERN N#Cc1cc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)c[nH]1 ZINC000181581006 402650670 /nfs/dbraw/zinc/65/06/70/402650670.db2.gz WMNBMKIMENUTSM-ZIAGYGMSSA-N 0 0 305.403 2.013 10 30 DEEERN C=C(C)CN(CC)C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181697412 402654444 /nfs/dbraw/zinc/65/44/44/402654444.db2.gz NRECBTKCWBNXSH-CYBMUJFWSA-N 0 0 305.426 2.324 10 30 DEEERN C=CCOCCCC(=O)N1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000173612965 402704628 /nfs/dbraw/zinc/70/46/28/402704628.db2.gz JNMSTSGMWQNNEM-ILXRZTDVSA-N 0 0 309.406 2.302 10 30 DEEERN CC[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000173798349 402712894 /nfs/dbraw/zinc/71/28/94/402712894.db2.gz GOCILJKTVCKOKZ-ZFWWWQNUSA-N 0 0 317.389 2.146 10 30 DEEERN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)C(C)C ZINC000172524214 402660693 /nfs/dbraw/zinc/66/06/93/402660693.db2.gz XQJZLGPXFJTTEH-LBPRGKRZSA-N 0 0 317.389 2.304 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)CNC(=O)c1ccccn1 ZINC000172529193 402661077 /nfs/dbraw/zinc/66/10/77/402661077.db2.gz NMWTZUSZZCUAPQ-UHFFFAOYSA-N 0 0 323.396 2.069 10 30 DEEERN CC(C)[C@@H](C)CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000172578635 402663816 /nfs/dbraw/zinc/66/38/16/402663816.db2.gz RFBGVEKTCGFSDE-LBPRGKRZSA-N 0 0 311.389 2.348 10 30 DEEERN CC(=NNS(=O)(=O)c1ccc(C)cc1)c1cccc(O)c1 ZINC000254491894 402670748 /nfs/dbraw/zinc/67/07/48/402670748.db2.gz AVHMEXCCEBQXLP-UHFFFAOYSA-N 0 0 304.371 2.403 10 30 DEEERN Oc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)Cl)cc1 ZINC000254615343 402671323 /nfs/dbraw/zinc/67/13/23/402671323.db2.gz IQUOXPYJSFJFTM-UHFFFAOYSA-N 0 0 304.709 2.443 10 30 DEEERN CCn1ncc(C=Nn2c(SC)nnc2C(F)F)c1C ZINC000254812467 402671583 /nfs/dbraw/zinc/67/15/83/402671583.db2.gz HJJWFGHYNLFXBB-UHFFFAOYSA-N 0 0 300.338 2.345 10 30 DEEERN N#CCSc1nnc(NN=Cc2cc(Cl)ccc2O)[nH]1 ZINC000254804241 402671745 /nfs/dbraw/zinc/67/17/45/402671745.db2.gz RFQMXPQLCUZIDM-UHFFFAOYSA-N 0 0 308.754 2.225 10 30 DEEERN N#CCCCCNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000172977993 402681556 /nfs/dbraw/zinc/68/15/56/402681556.db2.gz DGMBMURGGZMYRE-UONOGXRCSA-N 0 0 300.358 2.371 10 30 DEEERN CCC[C@H](C)CS(=O)(=O)NCCOc1ccc(C#N)cc1 ZINC000173537625 402701700 /nfs/dbraw/zinc/70/17/00/402701700.db2.gz AWXDNHYXFWKYNQ-ZDUSSCGKSA-N 0 0 310.419 2.293 10 30 DEEERN N#CCCN(CCN1CCOCC1)Cc1cccc2cnccc21 ZINC000182918441 402726910 /nfs/dbraw/zinc/72/69/10/402726910.db2.gz IXNYJBKAFKSEOR-UHFFFAOYSA-N 0 0 324.428 2.283 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCC[C@H](C)c1ccc(OC)cc1 ZINC000183599182 402780151 /nfs/dbraw/zinc/78/01/51/402780151.db2.gz OPEAAEWCLFZNIK-ZFWWWQNUSA-N 0 0 306.406 2.425 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000183466476 402769627 /nfs/dbraw/zinc/76/96/27/402769627.db2.gz RZSUDFCIMPMDRO-ZWNOBZJWSA-N 0 0 310.781 2.400 10 30 DEEERN COC(=O)CC1(NC(=O)CCc2ccc(C#N)cc2)CCCC1 ZINC000193885713 402777391 /nfs/dbraw/zinc/77/73/91/402777391.db2.gz NQZUQJGICZUKAX-UHFFFAOYSA-N 0 0 314.385 2.483 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCCO[C@@H](C)c1ccccc1 ZINC000182871147 402723154 /nfs/dbraw/zinc/72/31/54/402723154.db2.gz JEIHXOHDSJTDLP-GOEBONIOSA-N 0 0 306.406 2.391 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCSCc1ccccc1F ZINC000182892287 402724596 /nfs/dbraw/zinc/72/45/96/402724596.db2.gz NHSUBLRUQXIBBD-ZDUSSCGKSA-N 0 0 312.410 2.295 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000183854029 402801879 /nfs/dbraw/zinc/80/18/79/402801879.db2.gz BMEDIEWUUNHZHB-GXTWGEPZSA-N 0 0 308.353 2.276 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(C(=O)OCCC)cc1 ZINC000183941301 402807164 /nfs/dbraw/zinc/80/71/64/402807164.db2.gz BPHIFOVSRRDEPN-AWEZNQCLSA-N 0 0 306.362 2.312 10 30 DEEERN CCOCCOCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000194853327 402818641 /nfs/dbraw/zinc/81/86/41/402818641.db2.gz YGRFIDRSVPNTPZ-UHFFFAOYSA-N 0 0 308.403 2.490 10 30 DEEERN N#Cc1ccc(OCCNC(=O)Nc2ccncc2F)cc1 ZINC000184148382 402822206 /nfs/dbraw/zinc/82/22/06/402822206.db2.gz BCBLDKFDZPYSSJ-UHFFFAOYSA-N 0 0 300.293 2.293 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cn(-c2ccccc2)nc1C ZINC000184196814 402825926 /nfs/dbraw/zinc/82/59/26/402825926.db2.gz HNIAGSKJTYWYGS-CYBMUJFWSA-N 0 0 300.362 2.239 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000184213877 402826903 /nfs/dbraw/zinc/82/69/03/402826903.db2.gz UVNDKCYNOZQFAE-NSHDSACASA-N 0 0 310.419 2.492 10 30 DEEERN CCCCN1CCOC[C@H]1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000184240778 402829710 /nfs/dbraw/zinc/82/97/10/402829710.db2.gz BFSVFZNPOIOLTQ-KRWDZBQOSA-N 0 0 315.417 2.018 10 30 DEEERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(F)cc2C#N)o1 ZINC000175942072 402844039 /nfs/dbraw/zinc/84/40/39/402844039.db2.gz ZIHSUIZJLXWWCY-SNVBAGLBSA-N 0 0 315.304 2.415 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000184261625 402830663 /nfs/dbraw/zinc/83/06/63/402830663.db2.gz VCUVLLXGUXBQPI-WMZOPIPTSA-N 0 0 316.445 2.467 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000184446199 402844231 /nfs/dbraw/zinc/84/42/31/402844231.db2.gz MDMZDJAUEHNFMM-CVEARBPZSA-N 0 0 309.431 2.480 10 30 DEEERN Cc1nc(C2CCCC2)sc1C(=O)N1CCOC[C@H]1C#N ZINC000175880387 402840055 /nfs/dbraw/zinc/84/00/55/402840055.db2.gz OOYWGNJLOZPIPK-GFCCVEGCSA-N 0 0 305.403 2.474 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000183628373 402783089 /nfs/dbraw/zinc/78/30/89/402783089.db2.gz JRQGOJDIZVUOFL-UKRRQHHQSA-N 0 0 314.389 2.170 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000175962865 402845024 /nfs/dbraw/zinc/84/50/24/402845024.db2.gz DXSSKDVWPGFXSD-MRXNPFEDSA-N 0 0 313.332 2.250 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(c2cccs2)CC1 ZINC000279036687 402897489 /nfs/dbraw/zinc/89/74/89/402897489.db2.gz QGTISZWVIRECOH-UKRRQHHQSA-N 0 0 306.431 2.378 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N1CCC([C@@H](C)O)CC1 ZINC000265723541 402943819 /nfs/dbraw/zinc/94/38/19/402943819.db2.gz HTHSMEWAQGFDOC-CQSZACIVSA-N 0 0 316.401 2.001 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000273266786 402988831 /nfs/dbraw/zinc/98/88/31/402988831.db2.gz JDTKNQKTKRFCMN-OAHLLOKOSA-N 0 0 306.381 2.385 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(-c2n[nH]c(C)n2)ccc1C ZINC000273470345 403007712 /nfs/dbraw/zinc/00/77/12/403007712.db2.gz RXKQBORBPAEPMU-CYBMUJFWSA-N 0 0 315.377 2.147 10 30 DEEERN C=CCNC(=O)c1ccc(N2CCC=C(Br)C2)nc1 ZINC000281543403 403071096 /nfs/dbraw/zinc/07/10/96/403071096.db2.gz BLZXLKCDQAWJNF-UHFFFAOYSA-N 0 0 322.206 2.486 10 30 DEEERN C=CCN1CC[C@H](N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000281964063 403108899 /nfs/dbraw/zinc/10/88/99/403108899.db2.gz KQFFVGQZFIOPRD-WFASDCNBSA-N 0 0 303.362 2.375 10 30 DEEERN C=CCCS(=O)(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000268913090 403121397 /nfs/dbraw/zinc/12/13/97/403121397.db2.gz ZJLXJIQUGHUWPD-CQSZACIVSA-N 0 0 324.446 2.160 10 30 DEEERN C=CCn1c([C@@H](C)CC)nnc1N1CCC(C(=O)N(C)C)CC1 ZINC000282144082 403126416 /nfs/dbraw/zinc/12/64/16/403126416.db2.gz BSCLRUOLHRQBBM-ZDUSSCGKSA-N 0 0 319.453 2.282 10 30 DEEERN C=CCn1c(Cc2ccccn2)nnc1N1CCC(OC)CC1 ZINC000282256590 403137406 /nfs/dbraw/zinc/13/74/06/403137406.db2.gz LFYBVXAVOBJVPU-UHFFFAOYSA-N 0 0 313.405 2.065 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000282330600 403143794 /nfs/dbraw/zinc/14/37/94/403143794.db2.gz PUFVBUIJVVLCQL-LLVKDONJSA-N 0 0 323.336 2.229 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)Cc1ccc(C)o1 ZINC000282693421 403158561 /nfs/dbraw/zinc/15/85/61/403158561.db2.gz UKSKRCVCTUGEQZ-AWEZNQCLSA-N 0 0 318.377 2.090 10 30 DEEERN C=C(C)COc1cccc(NC(=O)N2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000282745036 403159304 /nfs/dbraw/zinc/15/93/04/403159304.db2.gz NOHUHLSINQROEK-ZDUSSCGKSA-N 0 0 317.389 2.336 10 30 DEEERN C=CCCN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000276481046 403179769 /nfs/dbraw/zinc/17/97/69/403179769.db2.gz YUIBKHVLXGHXIO-GOEBONIOSA-N 0 0 304.365 2.380 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000285049876 403277430 /nfs/dbraw/zinc/27/74/30/403277430.db2.gz IUUFJDDIFAXRDW-LSDHHAIUSA-N 0 0 324.346 2.374 10 30 DEEERN C=CCOc1cccc(CN2CCC(O)(C(=O)OCC)CC2)c1 ZINC000271206616 403278772 /nfs/dbraw/zinc/27/87/72/403278772.db2.gz SGUBIOLKSQFTRC-UHFFFAOYSA-N 0 0 319.401 2.141 10 30 DEEERN C=C1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000271235289 403282500 /nfs/dbraw/zinc/28/25/00/403282500.db2.gz GMQWXBREYLMTJB-UHFFFAOYSA-N 0 0 321.178 2.284 10 30 DEEERN C#CCOc1ccc(CNC(=O)N[C@H]2CCC[C@H](CO)C2)cc1 ZINC000298738865 403452649 /nfs/dbraw/zinc/45/26/49/403452649.db2.gz XVTLKCOKALXLJW-HOTGVXAUSA-N 0 0 316.401 2.049 10 30 DEEERN COC[C@H]1CN(CCOc2cccc(C#N)c2)CC(C)(C)O1 ZINC000343339624 403546518 /nfs/dbraw/zinc/54/65/18/403546518.db2.gz MZRVOXIGRAHUIN-MRXNPFEDSA-N 0 0 304.390 2.063 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCCO1 ZINC000287327913 403576313 /nfs/dbraw/zinc/57/63/13/403576313.db2.gz KJAQXTSGOBBYQN-IRXDYDNUSA-N 0 0 300.402 2.441 10 30 DEEERN COc1cc(F)ccc1N1CCN(c2cccc(C#N)n2)CC1 ZINC000301285554 403610389 /nfs/dbraw/zinc/61/03/89/403610389.db2.gz QNJOQRZBQHLHJQ-UHFFFAOYSA-N 0 0 312.348 2.428 10 30 DEEERN N#Cc1cnc2ccccc2c1NC[C@H]1CN(C2CC2)CCO1 ZINC000301411198 403624821 /nfs/dbraw/zinc/62/48/21/403624821.db2.gz YGLQMIOPBJHRLT-HNNXBMFYSA-N 0 0 308.385 2.382 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@H](O)c1c(F)cccc1Cl ZINC000287626091 403637425 /nfs/dbraw/zinc/63/74/25/403637425.db2.gz MYIXHIGBZSLPRV-AWEZNQCLSA-N 0 0 307.752 2.292 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000287868387 403682912 /nfs/dbraw/zinc/68/29/12/403682912.db2.gz DOYLLRXMHLEXOQ-QWHCGFSZSA-N 0 0 322.405 2.309 10 30 DEEERN C#CCC(CC#C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000288374458 403747749 /nfs/dbraw/zinc/74/77/49/403747749.db2.gz XQPOWOQRWNARGB-INIZCTEOSA-N 0 0 323.440 2.386 10 30 DEEERN C=CCN(CCc1ccco1)S(=O)(=O)[C@H]1CCO[C@H](C)C1 ZINC000295158437 403778819 /nfs/dbraw/zinc/77/88/19/403778819.db2.gz MVQSHGYRWUERQN-HIFRSBDPSA-N 0 0 313.419 2.207 10 30 DEEERN C=CCNC(=O)NC(=O)[C@H](C)Sc1ccc(N)cc1Cl ZINC000347740686 403837885 /nfs/dbraw/zinc/83/78/85/403837885.db2.gz ASQSSKWIKWXNSS-QMMMGPOBSA-N 0 0 313.810 2.415 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(OC(C)C)nc1 ZINC000362538750 403964648 /nfs/dbraw/zinc/96/46/48/403964648.db2.gz YULFNCWRZGPCOL-HOCLYGCPSA-N 0 0 304.390 2.466 10 30 DEEERN N#C[C@H]1COCCN1C(=O)CCc1cccc(C(F)(F)F)c1 ZINC000362122362 403927772 /nfs/dbraw/zinc/92/77/72/403927772.db2.gz KFYCVDGSEPAIQG-ZDUSSCGKSA-N 0 0 312.291 2.389 10 30 DEEERN COC[C@](C)(NC(=O)c1cccc(CC#N)c1)C(F)(F)F ZINC000362207800 403935529 /nfs/dbraw/zinc/93/55/29/403935529.db2.gz MDSAHXNDJGWQHV-ZDUSSCGKSA-N 0 0 300.280 2.450 10 30 DEEERN C=C[C@@H](C)NC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000362381553 403949189 /nfs/dbraw/zinc/94/91/89/403949189.db2.gz ZBLLCQSXFMFDQE-LLVKDONJSA-N 0 0 323.343 2.007 10 30 DEEERN C=C[C@@H](C)NC(=O)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000362380338 403950456 /nfs/dbraw/zinc/95/04/56/403950456.db2.gz PRFKTUFIGMNJFU-CQSZACIVSA-N 0 0 315.417 2.473 10 30 DEEERN C=CCCCCNS(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000289882621 404005758 /nfs/dbraw/zinc/00/57/58/404005758.db2.gz OMEOTFOTBXYWJR-UHFFFAOYSA-N 0 0 315.391 2.318 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NCCC3(C)CC3)cc2C1=O ZINC000348662014 404088592 /nfs/dbraw/zinc/08/85/92/404088592.db2.gz BAXLIPVBVHZURG-UHFFFAOYSA-N 0 0 312.369 2.389 10 30 DEEERN CC(C)(C)c1ccc(CNC(=O)N2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000328668160 404128996 /nfs/dbraw/zinc/12/89/96/404128996.db2.gz DOEHFPSHNAHCDH-IYBDPMFKSA-N 0 0 318.417 2.498 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1CO)CCC2 ZINC000328652286 404125013 /nfs/dbraw/zinc/12/50/13/404125013.db2.gz KIODGCQJYYKGKI-RRFJBIMHSA-N 0 0 320.437 2.124 10 30 DEEERN [O-]C(=[NH+]C1CCC(F)(F)CC1)N1CCC[C@H]1Cn1ccnn1 ZINC000329064148 404217512 /nfs/dbraw/zinc/21/75/12/404217512.db2.gz OJPRPJMASLSUFI-LBPRGKRZSA-N 0 0 313.352 2.234 10 30 DEEERN C=CCN(C(=O)C[C@H]1CCCO1)c1nc(C(=O)OCC)cs1 ZINC000355068727 404195315 /nfs/dbraw/zinc/19/53/15/404195315.db2.gz ANVQGSCFAHECLX-LLVKDONJSA-N 0 0 324.402 2.408 10 30 DEEERN Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)CC(=O)N1C ZINC000329011714 404199376 /nfs/dbraw/zinc/19/93/76/404199376.db2.gz IJZQWRMDQMMEMR-LALPHHSUSA-N 0 0 318.421 2.475 10 30 DEEERN C=CCN(C(=O)COCC1CC1)c1nc(C(=O)OCC)cs1 ZINC000355074001 404199342 /nfs/dbraw/zinc/19/93/42/404199342.db2.gz JIVHWUUYTATMPD-UHFFFAOYSA-N 0 0 324.402 2.265 10 30 DEEERN C[C@@H]1CCC[C@@H](CNC(=O)N2CCC[C@H]2Cn2ccnn2)C1 ZINC000329116805 404235930 /nfs/dbraw/zinc/23/59/30/404235930.db2.gz ISVVJWWNMKKOET-KFWWJZLASA-N 0 0 305.426 2.483 10 30 DEEERN O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC1)[C@@H](O)Cc1ccccc1 ZINC000329116771 404236488 /nfs/dbraw/zinc/23/64/88/404236488.db2.gz NNSFJQFYBBEGBQ-OFQRWUPVSA-N 0 0 302.374 2.444 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)NCCc1ncc(CC)s1 ZINC000352236767 404236884 /nfs/dbraw/zinc/23/68/84/404236884.db2.gz FSKBFCYZSBJYDR-LBPRGKRZSA-N 0 0 323.462 2.225 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@@]2(F)c2ccccc2)C1=O ZINC000412312538 404241852 /nfs/dbraw/zinc/24/18/52/404241852.db2.gz HKJZOTIBKOMSOF-RLFYNMQTSA-N 0 0 316.376 2.117 10 30 DEEERN O=C(N[C@H]1CCc2ccccc2C1=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000329089270 404226447 /nfs/dbraw/zinc/22/64/47/404226447.db2.gz ILBDKKLQGVLFCS-RISCZKNCSA-N 0 0 310.357 2.064 10 30 DEEERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329488985 404353769 /nfs/dbraw/zinc/35/37/69/404353769.db2.gz YFVZBMOAEFTOMV-BBRMVZONSA-N 0 0 315.417 2.477 10 30 DEEERN C=CC1CCN(C(=O)C(=O)N2CCc3cc(F)c(F)cc32)CC1 ZINC000350251907 404353669 /nfs/dbraw/zinc/35/36/69/404353669.db2.gz OOTTXZHGILSPOP-UHFFFAOYSA-N 0 0 320.339 2.279 10 30 DEEERN C=CCSCCNC(=O)C(=O)N(C)Cc1cc(C)cc(C)c1 ZINC000355289781 404320188 /nfs/dbraw/zinc/32/01/88/404320188.db2.gz MMGGPBKDXJWFNZ-UHFFFAOYSA-N 0 0 320.458 2.297 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(Cl)ncc1Br ZINC000290928050 404363429 /nfs/dbraw/zinc/36/34/29/404363429.db2.gz RMIMRYMONNSQDV-SSDOTTSWSA-N 0 0 319.586 2.164 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](C(N)=O)c2ccccc21 ZINC000370447930 404391198 /nfs/dbraw/zinc/39/11/98/404391198.db2.gz RSUWQOVQBBBBAH-KSSFIOAISA-N 0 0 316.401 2.221 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)Cc1ccc(Br)s1 ZINC000342204524 404441693 /nfs/dbraw/zinc/44/16/93/404441693.db2.gz HDXMEAUONSRVHQ-SECBINFHSA-N 0 0 318.236 2.354 10 30 DEEERN C=C(C)CCSCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000350718396 404449611 /nfs/dbraw/zinc/44/96/11/404449611.db2.gz DJUFPKYASODJDT-UHFFFAOYSA-N 0 0 322.430 2.263 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N(CC)CCC1CC1 ZINC000350741480 404458388 /nfs/dbraw/zinc/45/83/88/404458388.db2.gz PLQCKWXJRYQZLP-CQSZACIVSA-N 0 0 306.410 2.178 10 30 DEEERN O=C(N[C@@H]1CCO[C@H]1c1ccccc1)N1CCn2ccnc2C1 ZINC000330016801 404528443 /nfs/dbraw/zinc/52/84/43/404528443.db2.gz QDAORBNNJXIWPD-ZBFHGGJFSA-N 0 0 312.373 2.143 10 30 DEEERN CCO[C@@H]1C[C@](O)(CNC(=O)c2cn3ccnc3s2)C1(C)C ZINC000330025500 404531469 /nfs/dbraw/zinc/53/14/69/404531469.db2.gz KPVDHPARJMFJLQ-ABAIWWIYSA-N 0 0 323.418 2.267 10 30 DEEERN N#Cc1cc2c(nc1N1CC(O)(c3ccc(F)cc3)C1)CCC2 ZINC000373683871 404556592 /nfs/dbraw/zinc/55/65/92/404556592.db2.gz QONQIVVGZVTGKY-UHFFFAOYSA-N 0 0 309.344 2.289 10 30 DEEERN C=C(C)[C@@H](Cc1nc(Cc2nc(C3CC3)nn2C)no1)OCC ZINC000351364858 404563053 /nfs/dbraw/zinc/56/30/53/404563053.db2.gz HBMFWSIRHDSRTF-GFCCVEGCSA-N 0 0 317.393 2.190 10 30 DEEERN C=CCn1c(-c2cccn2C)nnc1N1C[C@@H]2C[C@H]1CS2 ZINC000414519281 404664818 /nfs/dbraw/zinc/66/48/18/404664818.db2.gz XCRCMPHJIMHHRC-RYUDHWBXSA-N 0 0 301.419 2.164 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)Nc1cn(C)nc1OC ZINC000356673152 404649071 /nfs/dbraw/zinc/64/90/71/404649071.db2.gz MSVDLBZXRXDLAY-UHFFFAOYSA-N 0 0 317.345 2.254 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000330334840 404628522 /nfs/dbraw/zinc/62/85/22/404628522.db2.gz RAHQKPZKQZHBFX-LALPHHSUSA-N 0 0 315.377 2.255 10 30 DEEERN C=CCOc1cccnc1C(=O)NCCc1cccnc1OC ZINC000358222183 404756516 /nfs/dbraw/zinc/75/65/16/404756516.db2.gz JNCQISVELBZDAQ-UHFFFAOYSA-N 0 0 313.357 2.023 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000358226524 404757120 /nfs/dbraw/zinc/75/71/20/404757120.db2.gz QMJBVUPUTKAZCJ-SJORKVTESA-N 0 0 311.422 2.012 10 30 DEEERN C=CCCCC(=O)N1CCC(NC(=O)c2cccn2C)CC1 ZINC000365826157 404726791 /nfs/dbraw/zinc/72/67/91/404726791.db2.gz SLFCVTQSAWLQJU-UHFFFAOYSA-N 0 0 303.406 2.102 10 30 DEEERN N#C[C@H]1CN(Cc2cnn(-c3ccccc3)c2)CCN1C1CC1 ZINC000360091373 404818107 /nfs/dbraw/zinc/81/81/07/404818107.db2.gz CLEMXLRTIYXTJZ-SFHVURJKSA-N 0 0 307.401 2.044 10 30 DEEERN CC[C@](C)(C#N)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000367011736 404897698 /nfs/dbraw/zinc/89/76/98/404897698.db2.gz YOCJOVUDWDBCTP-QGZVFWFLSA-N 0 0 305.422 2.177 10 30 DEEERN C=C(CNC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000353505526 404851656 /nfs/dbraw/zinc/85/16/56/404851656.db2.gz HDELLYYAFKYHBG-HUUCEWRRSA-N 0 0 301.390 2.043 10 30 DEEERN C#CCCNC(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000367060602 404913545 /nfs/dbraw/zinc/91/35/45/404913545.db2.gz CRTYUHPSYOCLQI-UHFFFAOYSA-N 0 0 307.344 2.210 10 30 DEEERN N#Cc1ccsc1C(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000378474417 404976645 /nfs/dbraw/zinc/97/66/45/404976645.db2.gz PMPLEKMOISPBNI-INIZCTEOSA-N 0 0 316.357 2.493 10 30 DEEERN Cc1oc(C#N)cc1C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000436165861 405053400 /nfs/dbraw/zinc/05/34/00/405053400.db2.gz AKVZCMVIUPZXLI-GFCCVEGCSA-N 0 0 312.325 2.420 10 30 DEEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000451845731 405062756 /nfs/dbraw/zinc/06/27/56/405062756.db2.gz VIEASAXBBXLSQV-TZMCWYRMSA-N 0 0 317.389 2.207 10 30 DEEERN C=CCC[C@H](NC(=O)c1nc2c(s1)CCC2)C(=O)OCC ZINC000416248603 405073595 /nfs/dbraw/zinc/07/35/95/405073595.db2.gz SMTLHMDXRYTQOG-NSHDSACASA-N 0 0 308.403 2.260 10 30 DEEERN Cc1ccc(N2CCC[C@@H](N(C)c3cnccc3C#N)C2)nn1 ZINC000367529431 405073590 /nfs/dbraw/zinc/07/35/90/405073590.db2.gz PEWGAIZJSTUBKV-OAHLLOKOSA-N 0 0 308.389 2.157 10 30 DEEERN N#CC1(C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)CCCC1 ZINC000367563984 405085076 /nfs/dbraw/zinc/08/50/76/405085076.db2.gz GLCXICBNEIYAJE-LBPRGKRZSA-N 0 0 300.362 2.347 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)[C@H]2c3ccccc3CCN2C1=O ZINC000424630740 405133112 /nfs/dbraw/zinc/13/31/12/405133112.db2.gz ZNKCKOMQQDPKLV-CWRNSKLLSA-N 0 0 312.369 2.139 10 30 DEEERN C=CCC1(C(=O)NCCCOC2CCOCC2)CCOCC1 ZINC000424688110 405149664 /nfs/dbraw/zinc/14/96/64/405149664.db2.gz NLJKYVWTGQAQAZ-UHFFFAOYSA-N 0 0 311.422 2.061 10 30 DEEERN C=CCC1(C(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)CCOCC1 ZINC000424661761 405142114 /nfs/dbraw/zinc/14/21/14/405142114.db2.gz WSGGURFQLUGOAJ-GJZGRUSLSA-N 0 0 322.449 2.265 10 30 DEEERN C=CCC1(C(=O)N2CCS[C@H]3COCC[C@@H]32)CCOCC1 ZINC000424732445 405161907 /nfs/dbraw/zinc/16/19/07/405161907.db2.gz FQNGSOMQKBOHFN-KBPBESRZSA-N 0 0 311.447 2.092 10 30 DEEERN C=C(C)C(C)(C)C(=O)N1CCC(COC)(C(=O)OCC)CC1 ZINC000424811796 405185598 /nfs/dbraw/zinc/18/55/98/405185598.db2.gz MJFDCPRPGXJTNC-UHFFFAOYSA-N 0 0 311.422 2.407 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408411495 405200828 /nfs/dbraw/zinc/20/08/28/405200828.db2.gz IBUYUSLFDVNQEM-AWEZNQCLSA-N 0 0 312.291 2.396 10 30 DEEERN CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)C[C@H]1O ZINC000408428703 405204290 /nfs/dbraw/zinc/20/42/90/405204290.db2.gz VOOFVRFBYDGPIH-UKRRQHHQSA-N 0 0 302.374 2.133 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000424898919 405208282 /nfs/dbraw/zinc/20/82/82/405208282.db2.gz BTLYXKNINPQPHG-FZMZJTMJSA-N 0 0 322.386 2.394 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000424918484 405212390 /nfs/dbraw/zinc/21/23/90/405212390.db2.gz VKNIMFQKQQBESH-RDJZCZTQSA-N 0 0 319.449 2.406 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(OCCOC)c1 ZINC000424935480 405215882 /nfs/dbraw/zinc/21/58/82/405215882.db2.gz XUWPVHXLXOSHNK-HOCLYGCPSA-N 0 0 305.374 2.033 10 30 DEEERN C=CCC1(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)CCOCC1 ZINC000424764650 405171906 /nfs/dbraw/zinc/17/19/06/405171906.db2.gz QZTFOYZMNAWAGC-UHFFFAOYSA-N 0 0 315.373 2.258 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](CO)c1ccsc1 ZINC000438063896 405229592 /nfs/dbraw/zinc/22/95/92/405229592.db2.gz RRLRBJVNLAYLPO-BNOWGMLFSA-N 0 0 310.419 2.062 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CC[S@](=O)C(CC)(CC)C1 ZINC000438443100 405246730 /nfs/dbraw/zinc/24/67/30/405246730.db2.gz LKADBJNVLOOXJQ-VFNWGFHPSA-N 0 0 315.479 2.365 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@](C)(O)CCC(C)C ZINC000438459813 405247254 /nfs/dbraw/zinc/24/72/54/405247254.db2.gz YYUQLJZBGIDOKZ-VYDXJSESSA-N 0 0 312.454 2.454 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC(C)(C)CO ZINC000452902896 405257298 /nfs/dbraw/zinc/25/72/98/405257298.db2.gz YLOSPWQQYJUJSF-MRXNPFEDSA-N 0 0 318.417 2.439 10 30 DEEERN C=CCC1(C(=O)Nc2cc(C(=O)N(C)C)ccn2)CCOCC1 ZINC000425215063 405258988 /nfs/dbraw/zinc/25/89/88/405258988.db2.gz LPRVMASCKWWWHN-UHFFFAOYSA-N 0 0 317.389 2.095 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000452922827 405260141 /nfs/dbraw/zinc/26/01/41/405260141.db2.gz KVJWQRBXTBSFAA-HIFRSBDPSA-N 0 0 309.312 2.387 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000452926985 405260952 /nfs/dbraw/zinc/26/09/52/405260952.db2.gz KBRVWRIYLJHKSY-KGLIPLIRSA-N 0 0 301.302 2.149 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](CO)CC1CCCC1 ZINC000425845765 405323923 /nfs/dbraw/zinc/32/39/23/405323923.db2.gz BAQCZIUXSMGNLB-JYJNAYRXSA-N 0 0 310.438 2.066 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)NC[C@@H]2C[C@H]2C2CC2)c1 ZINC000454048412 405294318 /nfs/dbraw/zinc/29/43/18/405294318.db2.gz MHKYZJMIUFTCMB-BBRMVZONSA-N 0 0 314.385 2.352 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](O)C1CCC1 ZINC000454071251 405296475 /nfs/dbraw/zinc/29/64/75/405296475.db2.gz VPQMHNMOSYNQLX-INIZCTEOSA-N 0 0 316.401 2.021 10 30 DEEERN C=CCN(CCOC)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439967704 405298395 /nfs/dbraw/zinc/29/83/95/405298395.db2.gz NCKZUOKXSDZPTL-UHFFFAOYSA-N 0 0 303.362 2.090 10 30 DEEERN C=CCC[C@H](CO)NC(=O)Nc1cc(OC)cc(OC)c1C ZINC000455388421 405404014 /nfs/dbraw/zinc/40/40/14/405404014.db2.gz UQVBFYOOUQQJCS-GFCCVEGCSA-N 0 0 308.378 2.461 10 30 DEEERN C=CC(C)(C)CNC(=O)N1CCS(=O)(=O)C(CC)(CC)C1 ZINC000455393514 405404746 /nfs/dbraw/zinc/40/47/46/405404746.db2.gz ZJSVEYUJTSMAHD-UHFFFAOYSA-N 0 0 316.467 2.197 10 30 DEEERN C=C(CC)CNC(=O)N1CCC(NC(=O)c2ccoc2C)CC1 ZINC000455514891 405420534 /nfs/dbraw/zinc/42/05/34/405420534.db2.gz ALPKTTHBEIOFMU-UHFFFAOYSA-N 0 0 319.405 2.458 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(c2ccccc2)CC1 ZINC000448775655 405446888 /nfs/dbraw/zinc/44/68/88/405446888.db2.gz SNSBMURIUYMICB-SJORKVTESA-N 0 0 300.402 2.363 10 30 DEEERN CCCCOc1ncccc1CNC(=O)c1ccc(C#N)n1C ZINC000448799282 405449370 /nfs/dbraw/zinc/44/93/70/405449370.db2.gz JLBQDKMUYWKNEC-UHFFFAOYSA-N 0 0 312.373 2.401 10 30 DEEERN COc1ccccc1C1(CNC(=O)c2ccc(C#N)n2C)CC1 ZINC000448843946 405455265 /nfs/dbraw/zinc/45/52/65/405455265.db2.gz HBVZBXZHWPDZTR-UHFFFAOYSA-N 0 0 309.369 2.367 10 30 DEEERN N#C[C@]1(C(=O)NCCCc2nnc3ccccn32)CC12CCCC2 ZINC000448846000 405455390 /nfs/dbraw/zinc/45/53/90/405455390.db2.gz GTUUTKGIZSPOKB-SFHVURJKSA-N 0 0 323.400 2.252 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1cc(C(F)(F)F)cnc1C ZINC000635767814 405486866 /nfs/dbraw/zinc/48/68/66/405486866.db2.gz ZIMYHKMLFSNGMB-SNVBAGLBSA-N 0 0 302.296 2.323 10 30 DEEERN C=CCn1c(N2CCC[C@H](CO)[C@@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000556900432 405557179 /nfs/dbraw/zinc/55/71/79/405557179.db2.gz BKYBBMUJCMBOLR-JJRVBVJISA-N 0 0 320.437 2.087 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCCCCS(C)(=O)=O ZINC000633319984 405570441 /nfs/dbraw/zinc/57/04/41/405570441.db2.gz YHOSOVHFGHXVSK-UHFFFAOYSA-N 0 0 304.456 2.103 10 30 DEEERN C=CCN(c1ccccc1)S(=O)(=O)c1cc(C)cnc1N ZINC000431105294 405578438 /nfs/dbraw/zinc/57/84/38/405578438.db2.gz ITIYQABNEXWQFO-UHFFFAOYSA-N 0 0 303.387 2.354 10 30 DEEERN C=C[C@](C)(CC)C(=O)N1CCN(c2ccc(OC)cn2)CC1 ZINC000457030014 405662086 /nfs/dbraw/zinc/66/20/86/405662086.db2.gz RJUUGXCARMMYKH-QGZVFWFLSA-N 0 0 303.406 2.341 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000559006290 405715684 /nfs/dbraw/zinc/71/56/84/405715684.db2.gz MNULVPQIXDBXRZ-QGZVFWFLSA-N 0 0 320.437 2.191 10 30 DEEERN C=C(CC)CNC(=O)N1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000459083414 405734419 /nfs/dbraw/zinc/73/44/19/405734419.db2.gz GWQJZZDFSCPJFD-LBPRGKRZSA-N 0 0 307.360 2.478 10 30 DEEERN C=C(CC)CNC(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000459082721 405734493 /nfs/dbraw/zinc/73/44/93/405734493.db2.gz SIHXOJSVEKHWHN-UHFFFAOYSA-N 0 0 307.438 2.387 10 30 DEEERN COCCN(CC#N)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000457178465 405739923 /nfs/dbraw/zinc/73/99/23/405739923.db2.gz ARBXZOYYDGVQAN-UHFFFAOYSA-N 0 0 317.172 2.371 10 30 DEEERN C=CCC1(C(=O)N2CCO[C@H](Cn3ccnn3)C2)CCCCC1 ZINC000636214822 405819598 /nfs/dbraw/zinc/81/95/98/405819598.db2.gz RTIJETBLPGMMPW-HNNXBMFYSA-N 0 0 318.421 2.032 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@@H]2CCOC[C@@H]2C)c(OC)c1 ZINC000432442617 405767497 /nfs/dbraw/zinc/76/74/97/405767497.db2.gz OVYBFBYIUZFVCM-DZGCQCFKSA-N 0 0 319.401 2.344 10 30 DEEERN CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc(C#N)n1C ZINC000450177449 405767725 /nfs/dbraw/zinc/76/77/25/405767725.db2.gz XHOAPRSWCQOEOT-MRXNPFEDSA-N 0 0 311.385 2.310 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000633963529 405933633 /nfs/dbraw/zinc/93/36/33/405933633.db2.gz LYUQMGTVYCVHGZ-UHFFFAOYSA-N 0 0 324.446 2.317 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC000633966900 405935413 /nfs/dbraw/zinc/93/54/13/405935413.db2.gz VHGOENWRHQLIER-UHFFFAOYSA-N 0 0 301.452 2.451 10 30 DEEERN C=CCCc1ccccc1NC(=O)N1CCC[C@@](O)(CO)C1 ZINC000459543064 405949552 /nfs/dbraw/zinc/94/95/52/405949552.db2.gz BLJWURNRWSZBSP-KRWDZBQOSA-N 0 0 304.390 2.156 10 30 DEEERN C=CCC1(C(=O)N2CCO[C@H](C(F)F)CC2)CCOCC1 ZINC000634165282 406032526 /nfs/dbraw/zinc/03/25/26/406032526.db2.gz LJQGNLMBASASJX-LBPRGKRZSA-N 0 0 303.349 2.242 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1nc(C)cs1 ZINC000636491149 405986764 /nfs/dbraw/zinc/98/67/64/405986764.db2.gz FZMAJJKKYYGOSQ-UHFFFAOYSA-N 0 0 309.435 2.176 10 30 DEEERN C=CCc1ccc(OCC(=O)N(C)[C@H]2C[C@@H](OC)C2)c(OC)c1 ZINC000565675903 406080091 /nfs/dbraw/zinc/08/00/91/406080091.db2.gz YKGSJTYDCUGPRF-GASCZTMLSA-N 0 0 319.401 2.438 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C)c1ncc(C)s1 ZINC000636829459 406093335 /nfs/dbraw/zinc/09/33/35/406093335.db2.gz KFZSAJMNWWHFJG-NSHDSACASA-N 0 0 309.435 2.347 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C)c1cncc(F)c1 ZINC000636838731 406096011 /nfs/dbraw/zinc/09/60/11/406096011.db2.gz RGXGZZPGWHIQNT-NSHDSACASA-N 0 0 307.369 2.116 10 30 DEEERN C=CCOc1ccc(-c2nc(CCCCC(N)=O)no2)cc1 ZINC000632191309 406041941 /nfs/dbraw/zinc/04/19/41/406041941.db2.gz 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/nfs/dbraw/zinc/16/84/14/406168414.db2.gz LFDXLYWLGFKIRL-RISCZKNCSA-N 0 0 314.345 2.222 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@@H]1C1CCC1 ZINC000516817544 406106579 /nfs/dbraw/zinc/10/65/79/406106579.db2.gz BJSFXSLTQWLWHO-HUUCEWRRSA-N 0 0 318.421 2.321 10 30 DEEERN C=C(C)COCCNC(=O)N[C@H]1COc2cccc(C)c2C1 ZINC000636930122 406125657 /nfs/dbraw/zinc/12/56/57/406125657.db2.gz DTLKMNCDMBUKIV-CQSZACIVSA-N 0 0 304.390 2.190 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000637000025 406145683 /nfs/dbraw/zinc/14/56/83/406145683.db2.gz QMUQNWGIVFMLTK-JKSUJKDBSA-N 0 0 322.449 2.313 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)Cc1nccs1 ZINC000632552025 406179131 /nfs/dbraw/zinc/17/91/31/406179131.db2.gz FTPXDPHETVMLGH-UHFFFAOYSA-N 0 0 309.435 2.210 10 30 DEEERN C=CCn1c(SC[C@H](O)C[C@](C)(O)C2CC2)nnc1C1CC1 ZINC000634637751 406200952 /nfs/dbraw/zinc/20/09/52/406200952.db2.gz BCIORFIUDFKRPM-CJNGLKHVSA-N 0 0 323.462 2.346 10 30 DEEERN C=CCC1(CNC(=O)N2C[C@H](OC)C[C@@]2(C)CO)CCCC1 ZINC000637197210 406208878 /nfs/dbraw/zinc/20/88/78/406208878.db2.gz CMPIEABAIPSCGF-ZBFHGGJFSA-N 0 0 310.438 2.304 10 30 DEEERN C=C(C)COc1cccc(NC(=O)N2CCn3nncc3C2)c1 ZINC000519554562 406211838 /nfs/dbraw/zinc/21/18/38/406211838.db2.gz WJNYCNAGDRDIAC-UHFFFAOYSA-N 0 0 313.361 2.281 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCc1nnc(-c2ccncc2)[nH]1 ZINC000637223723 406220151 /nfs/dbraw/zinc/22/01/51/406220151.db2.gz JAJONIADGKNYTF-UHFFFAOYSA-N 0 0 314.393 2.268 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC000569085666 406224523 /nfs/dbraw/zinc/22/45/23/406224523.db2.gz SKKQVDHPANIBJE-XUXIUFHCSA-N 0 0 306.410 2.033 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1[nH]ncc1C(F)(F)F ZINC000632841052 406285770 /nfs/dbraw/zinc/28/57/70/406285770.db2.gz ROXTWNMVPXADFD-KCJUWKMLSA-N 0 0 303.284 2.140 10 30 DEEERN CC(C)N(CCC#N)C(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000569870669 406315156 /nfs/dbraw/zinc/31/51/56/406315156.db2.gz KGIICCUGNQZCEG-UHFFFAOYSA-N 0 0 318.377 2.196 10 30 DEEERN C=C1CC(C)(C(=O)N(CCn2ccnc2)Cc2cnn(C)c2)C1 ZINC000632924371 406321807 /nfs/dbraw/zinc/32/18/07/406321807.db2.gz YUTIMPPUMGNHDM-UHFFFAOYSA-N 0 0 313.405 2.002 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC000633027120 406356505 /nfs/dbraw/zinc/35/65/05/406356505.db2.gz KIYJLAFHNSDEOY-HEHGZKQESA-N 0 0 307.390 2.490 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000637587204 406357797 /nfs/dbraw/zinc/35/77/97/406357797.db2.gz GGUBFZUKJFUMJF-ZNMIVQPWSA-N 0 0 324.808 2.406 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)NCc1nc(N(C)C)n[nH]1 ZINC000637785410 406421549 /nfs/dbraw/zinc/42/15/49/406421549.db2.gz OOFBKUUQSYUQEX-UHFFFAOYSA-N 0 0 320.441 2.149 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCC(C)(C)[C@]1(O)CCOC1 ZINC000637621980 406369206 /nfs/dbraw/zinc/36/92/06/406369206.db2.gz VKGCGYCMLAUYCA-KRWDZBQOSA-N 0 0 312.454 2.456 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000570273874 406369909 /nfs/dbraw/zinc/36/99/09/406369909.db2.gz RTNROHXAHPZHBP-BBRMVZONSA-N 0 0 316.401 2.377 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000637624090 406370733 /nfs/dbraw/zinc/37/07/33/406370733.db2.gz URONTJCKORCNLJ-CQSZACIVSA-N 0 0 307.438 2.431 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccnn1CCC ZINC000635260024 406479004 /nfs/dbraw/zinc/47/90/04/406479004.db2.gz JXVPOCYJSGHHSF-UHFFFAOYSA-N 0 0 306.410 2.340 10 30 DEEERN C=CCN(CCC#N)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000490071894 406449388 /nfs/dbraw/zinc/44/93/88/406449388.db2.gz MHAHYXAKLXJMOK-UHFFFAOYSA-N 0 0 309.778 2.302 10 30 DEEERN CCOC(=O)[C@H](C)N(C(=O)Cc1cccc(C#N)c1)C1CC1 ZINC000527058184 406576470 /nfs/dbraw/zinc/57/64/70/406576470.db2.gz HQBTWUGCLHBRQN-LBPRGKRZSA-N 0 0 300.358 2.043 10 30 DEEERN COC(=O)c1cc(C)nc(N2CCC(CC#N)CC2)c1[N+](=O)[O-] ZINC000553159512 406739940 /nfs/dbraw/zinc/73/99/40/406739940.db2.gz ZBDYXMMHGOFYFG-UHFFFAOYSA-N 0 0 318.333 2.215 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)c1ccncc1OC ZINC000572695863 406720295 /nfs/dbraw/zinc/72/02/95/406720295.db2.gz TUNYGMBRVMETKG-YUTCNCBUSA-N 0 0 305.378 2.184 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000573661266 406775776 /nfs/dbraw/zinc/77/57/76/406775776.db2.gz OFPAWWRMTFROEK-CABCVRRESA-N 0 0 308.422 2.057 10 30 DEEERN CCOC(=O)Cc1ccc(C#N)c(OC(F)F)c1[N+](=O)[O-] ZINC000575387266 406807907 /nfs/dbraw/zinc/80/79/07/406807907.db2.gz GKLVOEAECVHKHP-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN CCOC(=O)Cc1c(Br)ccc([N+](=O)[O-])c1C#N ZINC000575383442 406808202 /nfs/dbraw/zinc/80/82/02/406808202.db2.gz HBEPKHBSKXSPIH-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN CCOC(=O)Cc1cc(C#N)cc(C=O)c1OC(F)(F)F ZINC000575391644 406808801 /nfs/dbraw/zinc/80/88/01/406808801.db2.gz ZJGRSFKCAPSNCI-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN CCOC(=O)Cc1c(OC(F)(F)F)cc(C#N)cc1[N+](=O)[O-] ZINC000575395799 406809058 /nfs/dbraw/zinc/80/90/58/406809058.db2.gz REMKSVKXNDDTCW-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN C=CCC[C@H](CO)NC(=O)NC[C@@H]1CSc2ccccc2O1 ZINC000575984421 406828150 /nfs/dbraw/zinc/82/81/50/406828150.db2.gz UKMUQESLZAZCID-CHWSQXEVSA-N 0 0 322.430 2.166 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(C(=O)OC)cc1 ZINC000576352623 406830351 /nfs/dbraw/zinc/83/03/51/406830351.db2.gz ZXJJPDLPWIPXGY-CABCVRRESA-N 0 0 318.373 2.006 10 30 DEEERN C=CCn1c(N2CC(C)(C)OC[C@@H]2C)nnc1[C@]1(C)CCCO1 ZINC000576825203 406833051 /nfs/dbraw/zinc/83/30/51/406833051.db2.gz BNKWQAMQOYFANP-GUYCJALGSA-N 0 0 320.437 2.493 10 30 DEEERN N#Cc1ccc(NS(=O)(=O)c2ccc(N)c(F)c2)c(F)c1 ZINC000131118615 196142010 /nfs/dbraw/zinc/14/20/10/196142010.db2.gz MGJJVNRFYJINBW-UHFFFAOYSA-N 0 0 309.297 2.219 10 30 DEEERN Cc1cc(C(=O)NCCCC(F)(F)F)sc1C#CCO ZINC000131043824 196134925 /nfs/dbraw/zinc/13/49/25/196134925.db2.gz PKIJPJUYUUWGQU-UHFFFAOYSA-N 0 0 305.321 2.473 10 30 DEEERN Cc1cc(C#CCCO)cc(C(=O)N(C)[C@@H]2CCSC2)c1 ZINC000131551188 196179676 /nfs/dbraw/zinc/17/96/76/196179676.db2.gz GRNMFUUOHLGCSM-MRXNPFEDSA-N 0 0 303.427 2.306 10 30 DEEERN C[C@H](CS(C)(=O)=O)Nc1ccc(Br)cc1C#N ZINC000132276232 196241939 /nfs/dbraw/zinc/24/19/39/196241939.db2.gz ZIGHFNFHNDVAKF-MRVPVSSYSA-N 0 0 317.208 2.166 10 30 DEEERN C=C(Br)CNC(=O)c1ccc(NC(C)=O)s1 ZINC000133255385 196325377 /nfs/dbraw/zinc/32/53/77/196325377.db2.gz BHLRQYSRZUDDHG-UHFFFAOYSA-N 0 0 303.181 2.345 10 30 DEEERN C=CCN(CC=C)S(=O)(=O)c1ccc(C)cc1C(=O)OC ZINC000133792036 196335776 /nfs/dbraw/zinc/33/57/76/196335776.db2.gz MWDKYPMGBPHDEN-UHFFFAOYSA-N 0 0 309.387 2.144 10 30 DEEERN N#C[C@]1(Cc2cccc(Br)c2)CCS(=O)(=O)C1 ZINC000134610803 196406777 /nfs/dbraw/zinc/40/67/77/196406777.db2.gz GHNJVPRFIRVNFY-GFCCVEGCSA-N 0 0 314.204 2.320 10 30 DEEERN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@@H](C#N)C2CC2)c1 ZINC000188426581 225020544 /nfs/dbraw/zinc/02/05/44/225020544.db2.gz XRXIXCDURLJRQT-QEJZJMRPSA-N 0 0 300.358 2.226 10 30 DEEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccnc(C#N)c1 ZINC000193174323 225153383 /nfs/dbraw/zinc/15/33/83/225153383.db2.gz VRHMCUZVHGEMPO-HNNXBMFYSA-N 0 0 309.373 2.281 10 30 DEEERN O=C(NC1CCC2(CCOCC2)CC1)N1CC[C@@H](CCO)C1 ZINC000329806867 225932203 /nfs/dbraw/zinc/93/22/03/225932203.db2.gz LKQJAADDBPQXGD-AWEZNQCLSA-N 0 0 310.438 2.344 10 30 DEEERN O=C(CCn1cnccc1=O)NC1C2CC3CC(C2)CC1C3 ZINC000329502040 225887377 /nfs/dbraw/zinc/88/73/77/225887377.db2.gz KPQRNQSCZFGRQZ-UHFFFAOYSA-N 0 0 301.390 2.415 10 30 DEEERN Cc1nnc(CNC(=O)C[C@@H](C)N2CCCCC2=O)n1C1CC1 ZINC000330094242 225965889 /nfs/dbraw/zinc/96/58/89/225965889.db2.gz SPNSMOZSTRAIGU-LLVKDONJSA-N 0 0 319.409 2.169 10 30 DEEERN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCO[C@@H](C2CC2)C1 ZINC000330127904 225969866 /nfs/dbraw/zinc/96/98/66/225969866.db2.gz JFWAYOMACIKRMH-GXTWGEPZSA-N 0 0 306.410 2.124 10 30 DEEERN C[C@H](NC(=O)N1CCN(C)[C@H](C#N)C1)c1cccc(C2CC2)c1 ZINC000333541978 226107787 /nfs/dbraw/zinc/10/77/87/226107787.db2.gz SFDCVKKYVKFRDO-SUMWQHHRSA-N 0 0 312.417 2.474 10 30 DEEERN CN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[C@H]1CCSC1 ZINC000357393476 226774235 /nfs/dbraw/zinc/77/42/35/226774235.db2.gz PLFIBZZTPQOYFN-XHDPSFHLSA-N 0 0 312.435 2.212 10 30 DEEERN Cc1cccc2c1OCC[C@H]2NC(=O)[C@@H](C)N1CCOCC1 ZINC000330004052 292604207 /nfs/dbraw/zinc/60/42/07/292604207.db2.gz CGBOOEOPJFFWDM-UKRRQHHQSA-N 0 0 304.390 2.496 10 30 DEEERN N#C[C@@H]1CN(C(=O)NC[C@H]2CCc3ccccc32)CCN1C1CC1 ZINC000369220697 227026973 /nfs/dbraw/zinc/02/69/73/227026973.db2.gz UDFDUENOCOPRQP-NVXWUHKLSA-N 0 0 324.428 2.098 10 30 DEEERN N#C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CCN1C1CC1 ZINC000369403896 227029677 /nfs/dbraw/zinc/02/96/77/227029677.db2.gz NPEXSUUUXXBBFF-AWEZNQCLSA-N 0 0 320.780 2.420 10 30 DEEERN CSc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000370967769 227060184 /nfs/dbraw/zinc/06/01/84/227060184.db2.gz IFLVJUGEDSMNKI-AWEZNQCLSA-N 0 0 301.415 2.221 10 30 DEEERN C[C@H](C#N)Oc1ccc(CN2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000371332642 227068657 /nfs/dbraw/zinc/06/86/57/227068657.db2.gz ALDZHLAPJKSOLT-RHSMWYFYSA-N 0 0 310.401 2.150 10 30 DEEERN CSc1cccc(F)c1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000373988408 227122615 /nfs/dbraw/zinc/12/26/15/227122615.db2.gz AKYQBPIUAJGKNP-LBPRGKRZSA-N 0 0 319.405 2.360 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000408017256 227225904 /nfs/dbraw/zinc/22/59/04/227225904.db2.gz LUFBLOWMKCBBIK-GZMMTYOYSA-N 0 0 302.758 2.450 10 30 DEEERN C=CCNc1nnc(SCc2cnc(C(=O)OC)cn2)s1 ZINC000600511314 422410958 /nfs/dbraw/zinc/41/09/58/422410958.db2.gz UWTUHQLCEOMWSY-UHFFFAOYSA-N 0 0 323.403 2.005 10 30 DEEERN C=CCC1(C(=O)NCc2ccc3c(N)noc3c2)CCOCC1 ZINC000627803053 424816034 /nfs/dbraw/zinc/81/60/34/424816034.db2.gz YLSMMASHIBTFOY-UHFFFAOYSA-N 0 0 315.373 2.399 10 30 DEEERN C=CCNc1ncc(C(=O)N(C)Cc2cnccc2C)s1 ZINC000360870656 424839707 /nfs/dbraw/zinc/83/97/07/424839707.db2.gz HRCAIOOSORQAHE-UHFFFAOYSA-N 0 0 302.403 2.717 10 30 DEEERN C=CCSCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000194485400 424876766 /nfs/dbraw/zinc/87/67/66/424876766.db2.gz VWDAJUYLKAZRMU-HNNXBMFYSA-N 0 0 318.442 2.327 10 30 DEEERN C=CCOc1ccc(CNc2ccc(-c3cnn(C)c3)nn2)cc1 ZINC000343224913 424973961 /nfs/dbraw/zinc/97/39/61/424973961.db2.gz MTICCQZVOUJTLR-UHFFFAOYSA-N 0 0 321.384 3.054 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNc1nccn2c1nnc2C(C)C ZINC000435601078 425029409 /nfs/dbraw/zinc/02/94/09/425029409.db2.gz JBLLRUZEHPXEGO-CHWSQXEVSA-N 0 0 301.394 2.641 10 30 DEEERN C=C(C)CCNC(=O)Nc1ccn([C@H](CCC)C(=O)OCC)n1 ZINC000597046132 425030651 /nfs/dbraw/zinc/03/06/51/425030651.db2.gz KFDRUQSLLMFUDR-CYBMUJFWSA-N 0 0 322.409 2.875 10 30 DEEERN N#Cc1c(Cl)cccc1N1CC[C@@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000600881091 425047737 /nfs/dbraw/zinc/04/77/37/425047737.db2.gz VSZYUJKXKNFRFP-SECBINFHSA-N 0 0 315.764 2.283 10 30 DEEERN CC(=O)c1ccc(C#N)c(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000528221495 266844843 /nfs/dbraw/zinc/84/48/43/266844843.db2.gz PPSMLNZVLSTAOP-LRAJWGHMSA-N 0 0 302.399 2.251 10 30 DEEERN COC[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)c1ccco1 ZINC000173781921 267482664 /nfs/dbraw/zinc/48/26/64/267482664.db2.gz IXKDGYACOCHPEL-JSGCOSHPSA-N 0 0 314.341 2.422 10 30 DEEERN Cc1noc([C@H]2CCCN(C(=O)Cc3cccc(C#N)c3)C2)n1 ZINC000531385104 268100670 /nfs/dbraw/zinc/10/06/70/268100670.db2.gz UKOOCXXAUVWORI-HNNXBMFYSA-N 0 0 310.357 2.198 10 30 DEEERN Cn1nccc1N1CCC[C@H](Nc2cccc(F)c2C#N)C1=O ZINC000515779561 268136980 /nfs/dbraw/zinc/13/69/80/268136980.db2.gz CIBREYWBVLJBJU-AWEZNQCLSA-N 0 0 313.336 2.038 10 30 DEEERN N#Cc1cccc(CN2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1F ZINC000408044216 268247778 /nfs/dbraw/zinc/24/77/78/268247778.db2.gz MXTXQYPVKCZUHW-BBWFWOEESA-N 0 0 318.392 2.449 10 30 DEEERN COCc1nc2n(n1)CCC[C@@H]2Nc1cccc(F)c1C#N ZINC000268355609 268647950 /nfs/dbraw/zinc/64/79/50/268647950.db2.gz AVMOOUIYEKZFAD-ZDUSSCGKSA-N 0 0 301.325 2.382 10 30 DEEERN C[C@@H]1CN(c2cc3ccccc3nc2C#N)C[C@@H](C)S1(=O)=O ZINC000334034913 269008992 /nfs/dbraw/zinc/00/89/92/269008992.db2.gz NBUYOPSVSBTQCK-VXGBXAGGSA-N 0 0 315.398 2.118 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000183946655 287810195 /nfs/dbraw/zinc/81/01/95/287810195.db2.gz JLAYGMXHNBUAGO-IIAWOOMASA-N 0 0 317.364 2.154 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000248395569 287810565 /nfs/dbraw/zinc/81/05/65/287810565.db2.gz JLAYGMXHNBUAGO-YCPHGPKFSA-N 0 0 317.364 2.154 10 30 DEEERN CN(C)/C=N/c1nc(Br)cnc1Br ZINC000091351746 276739449 /nfs/dbraw/zinc/73/94/49/276739449.db2.gz WDOSZJNTNYWFLC-NYYWCZLTSA-N 0 0 307.977 2.223 10 30 DEEERN C=CCNC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000132057563 276901602 /nfs/dbraw/zinc/90/16/02/276901602.db2.gz VIUKLPBDUASJBA-GXTWGEPZSA-N 0 0 307.781 2.097 10 30 DEEERN CN1C[C@@H](C(=O)N2CCC(C)(C#N)CC2)c2ccccc2C1=O ZINC000365938452 276976178 /nfs/dbraw/zinc/97/61/78/276976178.db2.gz VVAOVOIVSICXFN-OAHLLOKOSA-N 0 0 311.385 2.008 10 30 DEEERN CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccc(C#N)n1C ZINC000448756064 277088510 /nfs/dbraw/zinc/08/85/10/277088510.db2.gz LAXWOSQDXRPOEY-UHFFFAOYSA-N 0 0 322.368 2.448 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000373747558 277779147 /nfs/dbraw/zinc/77/91/47/277779147.db2.gz WLSMELVJIJYQPC-MRXNPFEDSA-N 0 0 307.415 2.414 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CCOCC1 ZINC000424762386 277825740 /nfs/dbraw/zinc/82/57/40/277825740.db2.gz FUGWYSKVQKITIR-RBSFLKMASA-N 0 0 305.418 2.433 10 30 DEEERN C=CC[C@H](C)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000245639984 277885996 /nfs/dbraw/zinc/88/59/96/277885996.db2.gz KGHMVFAEKDPIOU-PJODQICGSA-N 0 0 304.365 2.426 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnccc1NC(=O)OC(C)(C)C ZINC000275916301 277888388 /nfs/dbraw/zinc/88/83/88/277888388.db2.gz FPKREDSKKBEVQZ-LLVKDONJSA-N 0 0 321.377 2.095 10 30 DEEERN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CC#Cc1ccc(Cl)cc1 ZINC000177170616 278303637 /nfs/dbraw/zinc/30/36/37/278303637.db2.gz CTLFPQXGXGULIM-CHWSQXEVSA-N 0 0 313.850 2.445 10 30 DEEERN N#Cc1cc(Br)cnc1N1CCC2(CC1)OCCO2 ZINC000296474563 294871907 /nfs/dbraw/zinc/87/19/07/294871907.db2.gz KCWQEWLCDQGGHD-UHFFFAOYSA-N 0 0 324.178 2.059 10 30 DEEERN Cc1cccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)c1C#N ZINC000131534161 302012353 /nfs/dbraw/zinc/01/23/53/302012353.db2.gz WRZJULXQACFESG-GJZGRUSLSA-N 0 0 320.414 2.199 10 30 DEEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CC[C@@]2(CCOC2)C1 ZINC000328729354 303508878 /nfs/dbraw/zinc/50/88/78/303508878.db2.gz FJSIEMVPJRQRRH-IUODEOHRSA-N 0 0 307.394 2.054 10 30 DEEERN COc1ccc(CNc2ccc([N+](=O)[O-])c(C#N)n2)cc1OC ZINC000302788915 533707211 /nfs/dbraw/zinc/70/72/11/533707211.db2.gz XQBRLRWOFDERCR-UHFFFAOYSA-N 0 0 314.301 2.491 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N1CCC2(CCO2)CC1 ZINC000558676445 331934719 /nfs/dbraw/zinc/93/47/19/331934719.db2.gz CKROIFGGGUPPKY-UHFFFAOYSA-N 0 0 300.362 2.483 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(C)c1Cl ZINC000569478777 332099926 /nfs/dbraw/zinc/09/99/26/332099926.db2.gz JCPDZTCNQCLLEG-AAEUAGOBSA-N 0 0 322.792 2.294 10 30 DEEERN CC(C)C[C@@](C)(C#N)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533876144 332229316 /nfs/dbraw/zinc/22/93/16/332229316.db2.gz QZTKZJQALRLKTQ-HNNXBMFYSA-N 0 0 319.317 2.382 10 30 DEEERN C#CCSCCNC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000153487437 332378903 /nfs/dbraw/zinc/37/89/03/332378903.db2.gz TYBRLZVZNKLFRO-UHFFFAOYSA-N 0 0 314.414 2.038 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc2c(cccc2OC)n1C ZINC000570364742 332745752 /nfs/dbraw/zinc/74/57/52/332745752.db2.gz AONOGULGEAVIGO-PWSUYJOCSA-N 0 0 301.346 2.112 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cncnc1-c1ccccc1 ZINC000562997665 333026979 /nfs/dbraw/zinc/02/69/79/333026979.db2.gz CERWNEIJNMXUMW-HOCLYGCPSA-N 0 0 309.369 2.465 10 30 DEEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCO[C@@H](C#N)C1 ZINC000521226419 333110917 /nfs/dbraw/zinc/11/09/17/333110917.db2.gz QRZUISCLHFWPNS-STQMWFEESA-N 0 0 319.434 2.151 10 30 DEEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC000185606334 335143165 /nfs/dbraw/zinc/14/31/65/335143165.db2.gz BLWGTLSYDZMYRV-CYBMUJFWSA-N 0 0 316.357 2.041 10 30 DEEERN C=CCCCCCNC(=O)N1CCC[C@H](NC(=O)N(C)C)C1 ZINC000563373394 333595616 /nfs/dbraw/zinc/59/56/16/333595616.db2.gz IQCKCNTXQREHFD-AWEZNQCLSA-N 0 0 310.442 2.178 10 30 DEEERN C=C(C)Cn1c(N2CCO[C@@H](CF)C2)nnc1[C@]1(C)CCCO1 ZINC000582168883 335693950 /nfs/dbraw/zinc/69/39/50/335693950.db2.gz DZDTZNCZYODQJE-BBRMVZONSA-N 0 0 324.400 2.055 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NCc2ccc(C3CC3)cc2)cn1 ZINC000190455395 336263298 /nfs/dbraw/zinc/26/32/98/336263298.db2.gz JORZDOBYEPHQNR-UHFFFAOYSA-N 0 0 313.382 2.309 10 30 DEEERN COC(=O)C[C@H]1CCCN1C(=O)NCC1CCC(C#N)CC1 ZINC000440996763 533715214 /nfs/dbraw/zinc/71/52/14/533715214.db2.gz CMDMFEVNSZRYNZ-JXQTWKCFSA-N 0 0 307.394 2.053 10 30 DEEERN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[C@H]2C)c1 ZINC000357320270 336580452 /nfs/dbraw/zinc/58/04/52/336580452.db2.gz YCKPCJIYSSJOGH-DOMZBBRYSA-N 0 0 302.374 2.495 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1c1cc(C)no1 ZINC000583808916 337335831 /nfs/dbraw/zinc/33/58/31/337335831.db2.gz QJKVHJUTOGNWCW-MJBXVCDLSA-N 0 0 305.378 2.421 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@@H](C)Cc1ccc(O)cc1 ZINC000583822908 337336797 /nfs/dbraw/zinc/33/67/97/337336797.db2.gz BRDSAJYSHDCDMK-AWEZNQCLSA-N 0 0 318.417 2.302 10 30 DEEERN C=CCn1c(C2CCCC2)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000571688199 337568006 /nfs/dbraw/zinc/56/80/06/337568006.db2.gz HSOZLMAGLRUOGR-JSGCOSHPSA-N 0 0 317.437 2.212 10 30 DEEERN C=CCN(C)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000161604008 337593797 /nfs/dbraw/zinc/59/37/97/337593797.db2.gz GPGHNKIZQWUEHL-HNNXBMFYSA-N 0 0 318.392 2.251 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[C@H](CC)C1 ZINC000572215370 337597400 /nfs/dbraw/zinc/59/74/00/337597400.db2.gz SHAFIPNEKPYORM-ZDUSSCGKSA-N 0 0 315.425 2.194 10 30 DEEERN Cc1cccc(NC(=O)CSCC(=O)N[C@@H](C#N)C2CC2)c1 ZINC000161889628 337598995 /nfs/dbraw/zinc/59/89/95/337598995.db2.gz FZYNQBZWCFLKLH-AWEZNQCLSA-N 0 0 317.414 2.085 10 30 DEEERN C=CCCCCCNC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC000516191022 338006427 /nfs/dbraw/zinc/00/64/27/338006427.db2.gz AULITOURXWPDFI-UHFFFAOYSA-N 0 0 316.405 2.457 10 30 DEEERN CCN(C[C@H](C)C#N)S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190561044 340545884 /nfs/dbraw/zinc/54/58/84/340545884.db2.gz UKNUNYQZBACLRQ-SNVBAGLBSA-N 0 0 300.355 2.005 10 30 DEEERN N#CCCN(CCC#N)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000195044437 340573396 /nfs/dbraw/zinc/57/33/96/340573396.db2.gz HGEDGMLXRBEWNZ-UHFFFAOYSA-N 0 0 313.357 2.046 10 30 DEEERN CC#CCCNC(=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000541747425 340982567 /nfs/dbraw/zinc/98/25/67/340982567.db2.gz UJDIERKTOSQGIZ-KRWDZBQOSA-N 0 0 301.386 2.453 10 30 DEEERN CC#CCCNC(=O)c1cccc(-c2nnc(CCOC)o2)c1 ZINC000543605764 341051018 /nfs/dbraw/zinc/05/10/18/341051018.db2.gz WQVMLEVVSLNKMJ-UHFFFAOYSA-N 0 0 313.357 2.069 10 30 DEEERN CC#CCNC(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000135397310 341238609 /nfs/dbraw/zinc/23/86/09/341238609.db2.gz BGWJJNSXBHSRCJ-UHFFFAOYSA-N 0 0 316.401 2.205 10 30 DEEERN C=CCn1c(CC)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC000554634865 341460125 /nfs/dbraw/zinc/46/01/25/341460125.db2.gz GUYXDXQYWDRCSS-LLVKDONJSA-N 0 0 305.407 2.061 10 30 DEEERN C=CCn1c(N(C)CC2CCOCC2)nnc1[C@]1(C)CCCO1 ZINC000567575206 341617701 /nfs/dbraw/zinc/61/77/01/341617701.db2.gz YSGQPELYTGPHPQ-KRWDZBQOSA-N 0 0 320.437 2.353 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000569213787 341694209 /nfs/dbraw/zinc/69/42/09/341694209.db2.gz CLVGBKNSONEDBJ-HOCLYGCPSA-N 0 0 302.374 2.274 10 30 DEEERN C=CCN(C)c1nnc([C@@]2(C)CCCO2)n1C[C@@H]1CCCO1 ZINC000576590594 341854034 /nfs/dbraw/zinc/85/40/34/341854034.db2.gz XUPYXBGRRWIZFE-XJKSGUPXSA-N 0 0 306.410 2.105 10 30 DEEERN C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2ccc(N3CCOCC3)nc2)O1 ZINC000328845049 533822373 /nfs/dbraw/zinc/82/23/73/533822373.db2.gz VHGNVTIIAXURSI-YWPYICTPSA-N 0 0 305.378 2.320 10 30 DEEERN Cc1cc2ccccc2n1CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000370975261 534123176 /nfs/dbraw/zinc/12/31/76/534123176.db2.gz XSXVIBXGVFRDNR-KRWDZBQOSA-N 0 0 322.412 2.149 10 30 DEEERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cccc(SCC#N)c1 ZINC000176041920 534215379 /nfs/dbraw/zinc/21/53/79/534215379.db2.gz DYZVMJHUGGMVHB-YPMHNXCESA-N 0 0 317.414 2.028 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457797549 534322169 /nfs/dbraw/zinc/32/21/69/534322169.db2.gz WEPZYFDFQGDMAD-BBRMVZONSA-N 0 0 317.385 2.493 10 30 DEEERN Cc1noc(CCNC(=O)Nc2ccccc2O[C@@H](C)C#N)n1 ZINC000184355613 534402066 /nfs/dbraw/zinc/40/20/66/534402066.db2.gz WLAHOMYGSNGXOK-JTQLQIEISA-N 0 0 315.333 2.033 10 30 DEEERN CC(=O)C/N=C1/N=C(NCCc2c[nH]c3ccccc23)S1 ZINC000020161538 519359703 /nfs/dbraw/zinc/35/97/03/519359703.db2.gz PCWJEWPLOBRDNS-UHFFFAOYSA-N 0 0 300.387 2.348 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N(C)CC(C)(C)C ZINC000453412423 534427071 /nfs/dbraw/zinc/42/70/71/534427071.db2.gz HEHHDFIWSCGWPG-UHFFFAOYSA-N 0 0 303.414 2.050 10 30 DEEERN C=CCn1c(N(CC)C[C@H]2CCCO2)nnc1[C@@]1(C)CCCO1 ZINC000453448145 534442192 /nfs/dbraw/zinc/44/21/92/534442192.db2.gz YCLPEUOTUCSVTE-RHSMWYFYSA-N 0 0 320.437 2.495 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@](C)(O)CC1)CCC2 ZINC000329970258 534510524 /nfs/dbraw/zinc/51/05/24/534510524.db2.gz XULJTYBBKAVLEU-WMLDXEAASA-N 0 0 320.437 2.220 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000450179162 534577249 /nfs/dbraw/zinc/57/72/49/534577249.db2.gz VRAFIGUWXFBHIS-UTXMOHQDSA-N 0 0 301.386 2.428 10 30 DEEERN N#CC1CCC(CNC(=O)NCCCOC[C@H]2CCCO2)CC1 ZINC000442471043 534580811 /nfs/dbraw/zinc/58/08/11/534580811.db2.gz VBIUYOUXDZDJLE-UYSNPLJNSA-N 0 0 323.437 2.201 10 30 DEEERN N#CCc1ccc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)cc1 ZINC000375010214 534716152 /nfs/dbraw/zinc/71/61/52/534716152.db2.gz JMMRFHOUMZCMLN-UHFFFAOYSA-N 0 0 310.328 2.235 10 30 DEEERN C[C@@H]1CCOCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000367738596 524535713 /nfs/dbraw/zinc/53/57/13/524535713.db2.gz BAUXURAIZQRUDL-LLVKDONJSA-N 0 0 307.781 2.261 10 30 DEEERN C=CCCc1ccccc1NCc1cn(CC(=O)OC)nn1 ZINC000449308221 534808606 /nfs/dbraw/zinc/80/86/06/534808606.db2.gz VMSYGRPAKKFYLQ-UHFFFAOYSA-N 0 0 300.362 2.182 10 30 DEEERN Cc1csc(N2CCC(C(=O)N[C@H]3CCC[C@@H]3C#N)CC2)n1 ZINC000408333630 534825277 /nfs/dbraw/zinc/82/52/77/534825277.db2.gz GQFVTKXOUNNUEA-KGLIPLIRSA-N 0 0 318.446 2.476 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](O)C1CCC1 ZINC000449808686 534839379 /nfs/dbraw/zinc/83/93/79/534839379.db2.gz AXUVARBHCIQEOS-HNNXBMFYSA-N 0 0 304.346 2.270 10 30 DEEERN Cc1cc(NC(=O)[C@H](C)Oc2ccccc2C#N)ccc1C(N)=O ZINC000103408114 525228731 /nfs/dbraw/zinc/22/87/31/525228731.db2.gz PWHVYLZNNVKUEZ-LBPRGKRZSA-N 0 0 323.352 2.372 10 30 DEEERN Cc1nn(C)cc1[C@H](C)NC(=O)NCC1CCC(C#N)CC1 ZINC000440999480 534847136 /nfs/dbraw/zinc/84/71/36/534847136.db2.gz DKHWWENYYXPQPU-XGNXJENSSA-N 0 0 303.410 2.419 10 30 DEEERN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CC#Cc1ccccc1 ZINC000191434315 534848913 /nfs/dbraw/zinc/84/89/13/534848913.db2.gz DEOYWISCVPYHNP-UHFFFAOYSA-N 0 0 306.277 2.243 10 30 DEEERN C=CCN(CCOC)C(=O)c1cnc(-c2ccncc2)s1 ZINC000191959297 526299352 /nfs/dbraw/zinc/29/93/52/526299352.db2.gz WUPPXMXCAPBUQU-UHFFFAOYSA-N 0 0 303.387 2.480 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@@H](C)C(C)C ZINC000356366015 526316258 /nfs/dbraw/zinc/31/62/58/526316258.db2.gz BEKRJLUDXYHOTD-CQSZACIVSA-N 0 0 306.406 2.245 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000350118021 526483073 /nfs/dbraw/zinc/48/30/73/526483073.db2.gz ORJJAWPFDMYSHB-UHFFFAOYSA-N 0 0 317.389 2.254 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)NC[C@H]1CC12CCSCC2 ZINC000422597432 526513509 /nfs/dbraw/zinc/51/35/09/526513509.db2.gz KJTYGZGGDKCZEO-CYBMUJFWSA-N 0 0 310.463 2.061 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000372903926 526517114 /nfs/dbraw/zinc/51/71/14/526517114.db2.gz LQJLFGLUTBTESE-UHFFFAOYSA-N 0 0 302.374 2.375 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375430930 526525216 /nfs/dbraw/zinc/52/52/16/526525216.db2.gz HAQSARABXKBTBW-CQSZACIVSA-N 0 0 318.421 2.161 10 30 DEEERN C#CCCCC(=O)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000191951118 526679570 /nfs/dbraw/zinc/67/95/70/526679570.db2.gz KDYSGOFYYLGOOW-HNNXBMFYSA-N 0 0 313.401 2.371 10 30 DEEERN C=CCNc1ncc(C(=O)NCCc2cccnc2OC)s1 ZINC000292390025 526682131 /nfs/dbraw/zinc/68/21/31/526682131.db2.gz ZCRVMWPPLZYJGH-UHFFFAOYSA-N 0 0 318.402 2.117 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000412590427 526696911 /nfs/dbraw/zinc/69/69/11/526696911.db2.gz OYTPSQMNAFLPBL-RDTXWAMCSA-N 0 0 300.402 2.244 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000186041271 526702094 /nfs/dbraw/zinc/70/20/94/526702094.db2.gz ZGXKMXGOFJUQAB-HIFRSBDPSA-N 0 0 301.390 2.296 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000248721436 526707038 /nfs/dbraw/zinc/70/70/38/526707038.db2.gz MAXMATBZZZUHMK-SOUVJXGZSA-N 0 0 305.422 2.294 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000341942743 526711171 /nfs/dbraw/zinc/71/11/71/526711171.db2.gz CJNJZYXXHYQPEE-GXTWGEPZSA-N 0 0 306.381 2.188 10 30 DEEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(C)CCn1cccn1 ZINC000338847536 526718978 /nfs/dbraw/zinc/71/89/78/526718978.db2.gz USDUSZUCGXLNMH-UHFFFAOYSA-N 0 0 312.377 2.447 10 30 DEEERN C#CCCNC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000369289128 526733508 /nfs/dbraw/zinc/73/35/08/526733508.db2.gz XMRHJKBDVOXFFC-UHFFFAOYSA-N 0 0 300.358 2.020 10 30 DEEERN C=CCOCCN1C(=O)[C@@H]2C[C@H](C3CCCCC3)CN2C1=O ZINC000373884679 526770989 /nfs/dbraw/zinc/77/09/89/526770989.db2.gz ZQYVOZYJIQMMII-GJZGRUSLSA-N 0 0 306.406 2.422 10 30 DEEERN C=CCOCCNC(=O)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000376286371 526773982 /nfs/dbraw/zinc/77/39/82/526773982.db2.gz RHCLFEYDHBRLPG-UHFFFAOYSA-N 0 0 310.344 2.351 10 30 DEEERN C=CCOCCNC(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000369997104 526777645 /nfs/dbraw/zinc/77/76/45/526777645.db2.gz OGJGWAUCALFZBB-KRWDZBQOSA-N 0 0 304.390 2.146 10 30 DEEERN C=CCOCCNC(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000378589529 526777845 /nfs/dbraw/zinc/77/78/45/526777845.db2.gz FEGMINGACZCFFM-AWEZNQCLSA-N 0 0 314.389 2.435 10 30 DEEERN C=CCOCCNC(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000371643315 526779403 /nfs/dbraw/zinc/77/94/03/526779403.db2.gz VUXRPXPZVSARAN-OAHLLOKOSA-N 0 0 303.406 2.157 10 30 DEEERN C=CCOC[C@H](NC(=O)C/C=C/c1ccc(C)cc1)C(=O)OC ZINC000435934133 526802519 /nfs/dbraw/zinc/80/25/19/526802519.db2.gz GYTLROZWCDBNLY-JFDDCEBESA-N 0 0 317.385 2.259 10 30 DEEERN C=CCOc1ccc(C(=O)N(C)c2nncs2)cc1OC ZINC000361290104 526836122 /nfs/dbraw/zinc/83/61/22/526836122.db2.gz RUEIBVRJXSAAHP-UHFFFAOYSA-N 0 0 305.359 2.388 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CCC([C@@H](C)O)CC2)cc1 ZINC000295097098 526856244 /nfs/dbraw/zinc/85/62/44/526856244.db2.gz WXYSIZNOEQTIJW-CQSZACIVSA-N 0 0 303.402 2.413 10 30 DEEERN C=C(CNC(=O)NC[C@H](CO)c1cccnc1)c1ccccc1 ZINC000358591271 526871604 /nfs/dbraw/zinc/87/16/04/526871604.db2.gz OOZIMYCZVLBGCT-QGZVFWFLSA-N 0 0 311.385 2.170 10 30 DEEERN C=CCSCCNC(=O)NCC[C@@H](OC)C(F)(F)F ZINC000344542113 526990998 /nfs/dbraw/zinc/99/09/98/526990998.db2.gz QBFVFQWMSMIYGK-SECBINFHSA-N 0 0 300.346 2.172 10 30 DEEERN C=CCSCCNS(=O)(=O)c1cccc2ncccc21 ZINC000195480443 527005582 /nfs/dbraw/zinc/00/55/82/527005582.db2.gz JQVCKPYVZMLSNF-UHFFFAOYSA-N 0 0 308.428 2.432 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000370022592 527041898 /nfs/dbraw/zinc/04/18/98/527041898.db2.gz UJKRLQVVXNOXMV-CQSZACIVSA-N 0 0 317.437 2.473 10 30 DEEERN C=CCC1(C(=O)Nc2cccc3c2OCC(=O)N3)CCOCC1 ZINC000424825288 527061743 /nfs/dbraw/zinc/06/17/43/527061743.db2.gz KCSHOSJLSWWRID-UHFFFAOYSA-N 0 0 316.357 2.329 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000357243978 527063321 /nfs/dbraw/zinc/06/33/21/527063321.db2.gz OBLQUCHOBPNCBU-LLVKDONJSA-N 0 0 316.323 2.130 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)Nc1ccc(OC)c(OC)c1OC ZINC000341691375 527069118 /nfs/dbraw/zinc/06/91/18/527069118.db2.gz FYOJKJIHAAMNFO-LLVKDONJSA-N 0 0 324.377 2.019 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C1(CCOCc2ccccc2)CC1 ZINC000337044875 527086327 /nfs/dbraw/zinc/08/63/27/527086327.db2.gz FAYWGVMPWHFDLQ-INIZCTEOSA-N 0 0 303.402 2.427 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1cccc(-c2cccnc2)c1 ZINC000364067288 527091060 /nfs/dbraw/zinc/09/10/60/527091060.db2.gz PKPCQQIUKBATAU-KRWDZBQOSA-N 0 0 311.385 2.485 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000184107950 527094067 /nfs/dbraw/zinc/09/40/67/527094067.db2.gz UWQRVPKPGGQVIS-YPMHNXCESA-N 0 0 308.426 2.244 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000185820015 527097460 /nfs/dbraw/zinc/09/74/60/527097460.db2.gz SCXBOANZCRMBQJ-HOCLYGCPSA-N 0 0 302.374 2.015 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)N1CCC[C@@H](COC)CC1 ZINC000411023443 527116774 /nfs/dbraw/zinc/11/67/74/527116774.db2.gz KVXOEJMVSJFGJO-MRXNPFEDSA-N 0 0 324.465 2.466 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000410986137 527118082 /nfs/dbraw/zinc/11/80/82/527118082.db2.gz VXSQHXXRFHFMPQ-ZNMIVQPWSA-N 0 0 310.438 2.216 10 30 DEEERN C=CC[C@H](CC)NC(=O)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000281544734 527146214 /nfs/dbraw/zinc/14/62/14/527146214.db2.gz YOQBDTBVDCNHNX-AWEZNQCLSA-N 0 0 309.431 2.494 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@H]1CCOC1 ZINC000287481731 527159730 /nfs/dbraw/zinc/15/97/30/527159730.db2.gz SHTZUKYHNNDAON-SJORKVTESA-N 0 0 300.402 2.299 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCNC(=O)c1ccco1 ZINC000285983254 527160498 /nfs/dbraw/zinc/16/04/98/527160498.db2.gz XJAQXHCMUDWUOU-INIZCTEOSA-N 0 0 324.380 2.150 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)CC(C)(C)O ZINC000298123025 527162141 /nfs/dbraw/zinc/16/21/41/527162141.db2.gz YEZZANHLWFWNII-HOCLYGCPSA-N 0 0 302.418 2.470 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC2(C1)CCCOC2 ZINC000377251544 527173077 /nfs/dbraw/zinc/17/30/77/527173077.db2.gz VJYPYWJWURVPEF-QGZVFWFLSA-N 0 0 312.413 2.443 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCC[C@H](CO)C1 ZINC000298134790 527173882 /nfs/dbraw/zinc/17/38/82/527173882.db2.gz BTWMVNFARNTOFR-KSZLIROESA-N 0 0 314.429 2.471 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(C)cnc1OCC ZINC000295879536 527180172 /nfs/dbraw/zinc/18/01/72/527180172.db2.gz ARNSZDROGZGPEM-UHFFFAOYSA-N 0 0 305.378 2.152 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc([C@H](C)C(=O)OC)cc1 ZINC000417394267 527202351 /nfs/dbraw/zinc/20/23/51/527202351.db2.gz PUKCHTBJLQQOTQ-SMDDNHRTSA-N 0 0 306.362 2.022 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000448374814 527209829 /nfs/dbraw/zinc/20/98/29/527209829.db2.gz KZODPOKJCDAWPS-UHFFFAOYSA-N 0 0 300.358 2.227 10 30 DEEERN C=CC[C@H](CO)Nc1ccc2nnc(-c3ccccc3F)n2n1 ZINC000302162646 527212112 /nfs/dbraw/zinc/21/21/12/527212112.db2.gz YVWPOVGDIYCFGB-LLVKDONJSA-N 0 0 313.336 2.279 10 30 DEEERN C=CCCCNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1C ZINC000448385966 527218371 /nfs/dbraw/zinc/21/83/71/527218371.db2.gz HLYXNALMHRGXRS-HNNXBMFYSA-N 0 0 301.390 2.144 10 30 DEEERN C=CCCCNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000344512787 527226231 /nfs/dbraw/zinc/22/62/31/527226231.db2.gz KRWQHLZMFQCWOE-CQSZACIVSA-N 0 0 306.431 2.364 10 30 DEEERN C=CCc1cc(C(=O)N2CC[C@@H](O)C2(C)C)cc(OC)c1OC ZINC000361176204 527232143 /nfs/dbraw/zinc/23/21/43/527232143.db2.gz HTJAQRVXBNCMDZ-OAHLLOKOSA-N 0 0 319.401 2.418 10 30 DEEERN C=CCCCS(=O)(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000292586476 527246568 /nfs/dbraw/zinc/24/65/68/527246568.db2.gz MERYZHYNCNOHLV-AWEZNQCLSA-N 0 0 324.446 2.160 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(CC)CCO ZINC000191930660 527255403 /nfs/dbraw/zinc/25/54/03/527255403.db2.gz FKUBQFATWFDILR-UHFFFAOYSA-N 0 0 318.417 2.318 10 30 DEEERN C=CCc1ccc(OS(=O)(=O)[C@H]2CCO[C@H]2C)c(OC)c1 ZINC000135497159 527256573 /nfs/dbraw/zinc/25/65/73/527256573.db2.gz BCBUXCOXPIAZEM-NHYWBVRUSA-N 0 0 312.387 2.310 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N1CCC[C@H](CO)[C@H]1C ZINC000414530741 527279710 /nfs/dbraw/zinc/27/97/10/527279710.db2.gz SBWRVQGFLNBELB-CHWSQXEVSA-N 0 0 302.378 2.321 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N(C)Cc1cc(Cl)ccc1F ZINC000410840806 527297538 /nfs/dbraw/zinc/29/75/38/527297538.db2.gz HHLFYKZYIVBPQP-UHFFFAOYSA-N 0 0 312.772 2.472 10 30 DEEERN C=CCCN(C)C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000342009854 527314474 /nfs/dbraw/zinc/31/44/74/527314474.db2.gz BZDNDGWPLABQDS-NSHDSACASA-N 0 0 308.328 2.352 10 30 DEEERN C=CCn1c(COCC)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000337855751 527323873 /nfs/dbraw/zinc/32/38/73/527323873.db2.gz LHKOECLXFFZYRB-GJZGRUSLSA-N 0 0 320.437 2.254 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)[C@@H](C)c1ccco1 ZINC000289547208 527353007 /nfs/dbraw/zinc/35/30/07/527353007.db2.gz FAODTOIRPODEGT-JSGCOSHPSA-N 0 0 318.377 2.342 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCNC[C@@H]1c1ccccc1OC ZINC000262106341 527392505 /nfs/dbraw/zinc/39/25/05/527392505.db2.gz ZPUGJTCXZZKYJQ-GDBMZVCRSA-N 0 0 318.417 2.149 10 30 DEEERN C#Cc1ccc(CNC(=O)c2cnc(C3OCCO3)s2)cc1 ZINC000295457977 527437311 /nfs/dbraw/zinc/43/73/11/527437311.db2.gz MORDZSINGYTGBA-UHFFFAOYSA-N 0 0 314.366 2.100 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)CCCC(C)C ZINC000425869082 527491254 /nfs/dbraw/zinc/49/12/54/527491254.db2.gz UQMCPZFCTBHCCR-KKUMJFAQSA-N 0 0 310.438 2.025 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2cc(F)ccc2C1 ZINC000425564773 527494530 /nfs/dbraw/zinc/49/45/30/527494530.db2.gz MKNIGWVMARXZCC-BBRMVZONSA-N 0 0 304.365 2.485 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000425872977 527495824 /nfs/dbraw/zinc/49/58/24/527495824.db2.gz JOHPMNKYURBLFG-VGWMRTNUSA-N 0 0 312.454 2.166 10 30 DEEERN C=CCC[C@H]1NC(=O)N([C@@H](C)c2ccc3c(c2)OCO3)C1=O ZINC000419925785 527496379 /nfs/dbraw/zinc/49/63/79/527496379.db2.gz PFJTWDUYPWVVNB-CMPLNLGQSA-N 0 0 302.330 2.363 10 30 DEEERN C/C(=C\C(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccc(F)cc1 ZINC000370973941 527513303 /nfs/dbraw/zinc/51/33/03/527513303.db2.gz RIYZHSLNNQLBPW-JIIJFUIFSA-N 0 0 313.376 2.428 10 30 DEEERN C=CCCn1cc(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)nn1 ZINC000333343473 527519912 /nfs/dbraw/zinc/51/99/12/527519912.db2.gz YPWIIIDIDCNERR-FHIRATQRSA-N 0 0 300.406 2.362 10 30 DEEERN C=C[C@H](C)NC(=O)C(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000340818565 527556042 /nfs/dbraw/zinc/55/60/42/527556042.db2.gz JFJYMKBIWDXXJY-VIFPVBQESA-N 0 0 314.336 2.106 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CCC(=O)NC1CCCC1 ZINC000339391487 527585789 /nfs/dbraw/zinc/58/57/89/527585789.db2.gz GTXJMXGVPHTCBY-UHFFFAOYSA-N 0 0 306.328 2.402 10 30 DEEERN CC1(C)[C@H](NC(=O)Cc2ccc(OCC#N)cc2)[C@@H]2CCO[C@H]21 ZINC000247332193 527857564 /nfs/dbraw/zinc/85/75/64/527857564.db2.gz XXGKOISJJKNCSZ-USXIJHARSA-N 0 0 314.385 2.061 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@]12CCCO2 ZINC000333212757 527924959 /nfs/dbraw/zinc/92/49/59/527924959.db2.gz KGZZBHXVBNHXAR-NBFUAULTSA-N 0 0 321.421 2.095 10 30 DEEERN CC(C)[C@](C)(C#N)NC(=O)CNc1cccc2c1OCCC2 ZINC000378140792 527931978 /nfs/dbraw/zinc/93/19/78/527931978.db2.gz VMWGUEDWAJQQLL-KRWDZBQOSA-N 0 0 301.390 2.478 10 30 DEEERN CCN(CCC#N)C(=O)CSc1ccc(C(F)(F)F)nn1 ZINC000186854799 528365654 /nfs/dbraw/zinc/36/56/54/528365654.db2.gz HVMOFSMKIPJJCW-UHFFFAOYSA-N 0 0 318.324 2.350 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)[C@H]3CCCS3)C2)n1 ZINC000328608945 528746451 /nfs/dbraw/zinc/74/64/51/528746451.db2.gz BTAPGTIWMAVDIR-VXGBXAGGSA-N 0 0 308.407 2.160 10 30 DEEERN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C#N)n1C ZINC000448638478 528799063 /nfs/dbraw/zinc/79/90/63/528799063.db2.gz MIAYDGRQWVGCHM-UHFFFAOYSA-N 0 0 311.341 2.288 10 30 DEEERN CC1(C)CCC(CC(=O)N2CCN(C(=O)CC#N)CC2)CC1 ZINC000408063834 528900265 /nfs/dbraw/zinc/90/02/65/528900265.db2.gz JQEFEQSRCUUYDR-UHFFFAOYSA-N 0 0 305.422 2.177 10 30 DEEERN CC(C)(C)OC(=O)c1cnc(C(=O)NCC(C)(C)CC#N)cn1 ZINC000458039496 534959606 /nfs/dbraw/zinc/95/96/06/534959606.db2.gz IUACPOGBGQAKGK-UHFFFAOYSA-N 0 0 318.377 2.102 10 30 DEEERN CCC(=O)N[C@H]1CCCN(c2nc(C)c(C#N)cc2Cl)C1 ZINC000359877181 535327539 /nfs/dbraw/zinc/32/75/39/535327539.db2.gz LVCNFOLGGNZRJP-LBPRGKRZSA-N 0 0 306.797 2.410 10 30 DEEERN CCN(C(=O)[C@@H](Oc1ccccc1C#N)C(C)C)[C@H](C)CO ZINC000358764710 535686780 /nfs/dbraw/zinc/68/67/80/535686780.db2.gz CJXYABICLWTGQH-CJNGLKHVSA-N 0 0 304.390 2.191 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1sccc1C#N ZINC000190704381 536547219 /nfs/dbraw/zinc/54/72/19/536547219.db2.gz OVIGZQZIEMEFKP-UTUOFQBUSA-N 0 0 304.371 2.033 10 30 DEEERN COc1ccc([C@H](C)NC(=O)c2ccnc(C#N)c2)cc1OC ZINC000192585468 536897796 /nfs/dbraw/zinc/89/77/96/536897796.db2.gz KHLIFLCRPJOXOO-NSHDSACASA-N 0 0 311.341 2.461 10 30 DEEERN C#CC[C@H](Cc1ccccc1)Nc1cncc(-n2cncn2)n1 ZINC000804808088 623250579 /nfs/dbraw/zinc/25/05/79/623250579.db2.gz OSMUXZRTRGNBMI-OAHLLOKOSA-N 0 0 304.357 2.104 10 30 DEEERN C[C@H](NC(=O)/C=C\c1ccccc1C#N)C(=O)OC(C)(C)C ZINC000255068314 623369368 /nfs/dbraw/zinc/36/93/68/623369368.db2.gz KKPXYMIWZZUDPH-PRDAAYKISA-N 0 0 300.358 2.418 10 30 DEEERN N#CCOc1ccc(/C=C2\N=C(c3cccnc3)OC2=O)cc1 ZINC000255087301 623415142 /nfs/dbraw/zinc/41/51/42/623415142.db2.gz YTBBZLSJTMQHFM-GDNBJRDFSA-N 0 0 305.293 2.328 10 30 DEEERN C=CCS(=O)(=O)Nc1cc2c(c(C)c1)N(C)C(=O)C2(C)C ZINC000223421931 624715296 /nfs/dbraw/zinc/71/52/96/624715296.db2.gz KXYHPHNXRBKCQQ-UHFFFAOYSA-N 0 0 308.403 2.177 10 30 DEEERN CCOC(=O)CSc1ncc(Br)cc1C#N ZINC000309341190 625041228 /nfs/dbraw/zinc/04/12/28/625041228.db2.gz VJEXLIPZGQHKES-UHFFFAOYSA-N 0 0 301.165 2.371 10 30 DEEERN COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccn(C)c1C ZINC000194887333 625753226 /nfs/dbraw/zinc/75/32/26/625753226.db2.gz JADHMKYRONSIBC-ZDUSSCGKSA-N 0 0 311.341 2.303 10 30 DEEERN C#CCOc1cccc([C@H](C)OC(=O)COC[C@H]2CCCO2)c1 ZINC000733698562 633270416 /nfs/dbraw/zinc/27/04/16/633270416.db2.gz YNQJEEXRGVRQRI-WMLDXEAASA-N 0 0 318.369 2.498 10 30 DEEERN C=C(COC(=O)c1cnn(C(C)(C)C)c1CC)C(=O)OCC ZINC000734029944 633313081 /nfs/dbraw/zinc/31/30/81/633313081.db2.gz RYWIYHBIOUEFAG-UHFFFAOYSA-N 0 0 308.378 2.477 10 30 DEEERN C=C(COC(=O)c1ccn(-c2ccc(F)cc2)n1)C(=O)OCC ZINC000734026436 633313202 /nfs/dbraw/zinc/31/32/02/633313202.db2.gz FCZWHYHWUYRUSJ-UHFFFAOYSA-N 0 0 318.304 2.288 10 30 DEEERN C#CCOc1ccccc1CNC(=O)[C@H](C)n1nc(C)cc1C ZINC000734104037 633330658 /nfs/dbraw/zinc/33/06/58/633330658.db2.gz DJXRGBIWBLXKKO-HNNXBMFYSA-N 0 0 311.385 2.389 10 30 DEEERN CC[S@](=O)CCNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000734359675 633365861 /nfs/dbraw/zinc/36/58/61/633365861.db2.gz IOJCRYDVNILQQM-NRFANRHFSA-N 0 0 310.423 2.005 10 30 DEEERN N#C[C@@H]1CN(C(=O)C2(c3ccccc3F)CC2)CCN1C1CC1 ZINC000736018088 633562189 /nfs/dbraw/zinc/56/21/89/633562189.db2.gz FHUXOUGAPJKPLD-CQSZACIVSA-N 0 0 313.376 2.056 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cnc3ccsc3c2)CCN1C1CC1 ZINC000741928425 633758765 /nfs/dbraw/zinc/75/87/65/633758765.db2.gz PDELMUYNDPYLBE-CYBMUJFWSA-N 0 0 312.398 2.109 10 30 DEEERN Cn1cc([C@H]2CCN(C(=O)Nc3cc(C#N)ccc3F)C2)cn1 ZINC000888358201 633831432 /nfs/dbraw/zinc/83/14/32/633831432.db2.gz UFFNHHYNUOUDHC-LBPRGKRZSA-N 0 0 313.336 2.452 10 30 DEEERN COc1cc(C=NNc2ccc(C)cn2)c([N+](=O)[O-])cc1O ZINC000727259440 637798302 /nfs/dbraw/zinc/79/83/02/637798302.db2.gz DRYUSTCUWOWPMP-UHFFFAOYSA-N 0 0 302.290 2.458 10 30 DEEERN CC1CCC(CNc2ccc(S(N)(=O)=O)cc2C#N)CC1 ZINC000742396020 638067098 /nfs/dbraw/zinc/06/70/98/638067098.db2.gz VIPZSFHLVOKRGE-UHFFFAOYSA-N 0 0 307.419 2.444 10 30 DEEERN CC[S@](=O)CCNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000742406791 638068927 /nfs/dbraw/zinc/06/89/27/638068927.db2.gz QJWGHPGWXABDDE-FQEVSTJZSA-N 0 0 307.806 2.362 10 30 DEEERN C[C@@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1cccc(C#N)c1 ZINC000743708251 638168952 /nfs/dbraw/zinc/16/89/52/638168952.db2.gz BHWSILTTYVIZAQ-CXAGYDPISA-N 0 0 323.400 2.001 10 30 DEEERN C#CCOc1ccc(C(=O)O[C@H](CC(C)C)C(=O)OC)cc1 ZINC000744158913 638196554 /nfs/dbraw/zinc/19/65/54/638196554.db2.gz LYVLNRRGHJMYDD-OAHLLOKOSA-N 0 0 304.342 2.443 10 30 DEEERN C=CCCOCC(=O)OC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000744227708 638203686 /nfs/dbraw/zinc/20/36/86/638203686.db2.gz PIUHXESGJIPXSP-MRXNPFEDSA-N 0 0 317.385 2.171 10 30 DEEERN CC#CCOC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O ZINC000744473696 638223105 /nfs/dbraw/zinc/22/31/05/638223105.db2.gz IOZXYKWRVQBAQB-UHFFFAOYSA-N 0 0 319.316 2.224 10 30 DEEERN CN(CC(F)F)C1CCN(C(=O)c2sccc2C#N)CC1 ZINC000746320008 638335832 /nfs/dbraw/zinc/33/58/32/638335832.db2.gz KNPHJKBJSPAADN-UHFFFAOYSA-N 0 0 313.373 2.421 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(N)cc3)cc2C1=O ZINC000746478933 638346627 /nfs/dbraw/zinc/34/66/27/638346627.db2.gz DPAPQHCEHJTRAW-UHFFFAOYSA-N 0 0 321.336 2.303 10 30 DEEERN C=C(C)[C@@H](CO)S(=O)(=O)c1ccc(Br)cc1 ZINC000804928154 638363050 /nfs/dbraw/zinc/36/30/50/638363050.db2.gz OELSEVDGHMAFRL-LLVKDONJSA-N 0 0 305.193 2.160 10 30 DEEERN CCC[C@@H](C)CS(=O)(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746679635 638368903 /nfs/dbraw/zinc/36/89/03/638368903.db2.gz AMSUAJLVJFJZDG-GFCCVEGCSA-N 0 0 310.419 2.422 10 30 DEEERN COc1ccc(CNC(=O)[C@@H]2COc3ccccc3O2)cc1C#N ZINC000746872418 638383655 /nfs/dbraw/zinc/38/36/55/638383655.db2.gz LVOVKFSVRAVHKZ-KRWDZBQOSA-N 0 0 324.336 2.023 10 30 DEEERN COc1ccc(CNC(=O)c2cnc3n[nH]c(C)c3c2)cc1C#N ZINC000746937424 638388188 /nfs/dbraw/zinc/38/81/88/638388188.db2.gz BLJYCANLDAKXHL-UHFFFAOYSA-N 0 0 321.340 2.077 10 30 DEEERN C=CCNC(=O)[C@H](C#N)C(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000747109421 638409162 /nfs/dbraw/zinc/40/91/62/638409162.db2.gz QXHBAKMXYNFTGR-OAHLLOKOSA-N 0 0 309.369 2.420 10 30 DEEERN C=CCNC(=O)[C@@H](C#N)C(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000747109420 638409310 /nfs/dbraw/zinc/40/93/10/638409310.db2.gz QXHBAKMXYNFTGR-HNNXBMFYSA-N 0 0 309.369 2.420 10 30 DEEERN N#C[C@H](OC(=O)CCC(=O)N1CCOc2ccccc21)C1CC1 ZINC000747785686 638477162 /nfs/dbraw/zinc/47/71/62/638477162.db2.gz DOUXOFDIWJAEIP-HNNXBMFYSA-N 0 0 314.341 2.038 10 30 DEEERN C#CCN1CCN(C(=O)CN(C)c2cccc3ccccc32)CC1 ZINC000748813310 638593260 /nfs/dbraw/zinc/59/32/60/638593260.db2.gz LWHBMTMNOYTZHS-UHFFFAOYSA-N 0 0 321.424 2.053 10 30 DEEERN C[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1ccncc1 ZINC000749475882 638654256 /nfs/dbraw/zinc/65/42/56/638654256.db2.gz OPSMALYIERQORP-AWEZNQCLSA-N 0 0 309.369 2.446 10 30 DEEERN C=C(COC(=O)C[C@H](O)c1ccc(Cl)cc1)C(=O)OCC ZINC000750371811 638737713 /nfs/dbraw/zinc/73/77/13/638737713.db2.gz CNARNBKMIUUDLW-ZDUSSCGKSA-N 0 0 312.749 2.426 10 30 DEEERN Cc1cccc(CNC(=O)COC(=O)Cc2cccc(C#N)c2)c1 ZINC000750434372 638744855 /nfs/dbraw/zinc/74/48/55/638744855.db2.gz SZAZGGVNZDNVGL-UHFFFAOYSA-N 0 0 322.364 2.269 10 30 DEEERN C=C(COC(=O)c1sc([C@@H](C)OC)nc1C)C(=O)OCC ZINC000750449143 638745790 /nfs/dbraw/zinc/74/57/90/638745790.db2.gz SNXMDWQFYPAGLE-SNVBAGLBSA-N 0 0 313.375 2.435 10 30 DEEERN C#CC[C@@H](OC(=O)CCn1cc(Br)cn1)C1CC1 ZINC000750780272 639026910 /nfs/dbraw/zinc/02/69/10/639026910.db2.gz XFFGQEATXZIPMU-GFCCVEGCSA-N 0 0 311.179 2.381 10 30 DEEERN C#CCN(CC#C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000752302344 639172079 /nfs/dbraw/zinc/17/20/79/639172079.db2.gz ITIWFIOBUPWDAF-CYBMUJFWSA-N 0 0 307.378 2.041 10 30 DEEERN C#CCN(C(=O)CCCCCCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000104309544 650482153 /nfs/dbraw/zinc/48/21/53/650482153.db2.gz BXXIWDGGOOYKGY-OAHLLOKOSA-N 0 0 313.463 2.386 10 30 DEEERN C#Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)nc1 ZINC000728812301 639433833 /nfs/dbraw/zinc/43/38/33/639433833.db2.gz UPNIGCYBVQWJJC-UHFFFAOYSA-N 0 0 307.353 2.453 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@]1(C)CCOC1 ZINC000805110611 639753509 /nfs/dbraw/zinc/75/35/09/639753509.db2.gz BCDKTTYSFZSFKS-FUHWJXTLSA-N 0 0 300.402 2.347 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1ccnc2c1ncn2C ZINC000805216578 640253502 /nfs/dbraw/zinc/25/35/02/640253502.db2.gz MRBIJLOLZMTLAA-OAHLLOKOSA-N 0 0 318.380 2.333 10 30 DEEERN C#CCOc1cc(F)ccc1NCc1nsc(N(C)C)n1 ZINC000089660926 641322125 /nfs/dbraw/zinc/32/21/25/641322125.db2.gz JCGRCHHVYOSDRV-UHFFFAOYSA-N 0 0 306.366 2.367 10 30 DEEERN C[C@@H](C(=O)OCCc1ccccc1Cl)n1cnc(C#N)n1 ZINC000805554964 642115775 /nfs/dbraw/zinc/11/57/75/642115775.db2.gz IYKMRUXUZBZUBW-JTQLQIEISA-N 0 0 304.737 2.150 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCCOCC1 ZINC000805784572 643256020 /nfs/dbraw/zinc/25/60/20/643256020.db2.gz OWVYDHLXFJQOPP-DLBZAZTESA-N 0 0 300.402 2.489 10 30 DEEERN C=C[C@H](C(=O)OC)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000800341841 645259732 /nfs/dbraw/zinc/25/97/32/645259732.db2.gz IHNFUHOPFVIHIT-CYBMUJFWSA-N 0 0 312.410 2.045 10 30 DEEERN C=C[C@H](C(=O)OC)N1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000800379258 645262882 /nfs/dbraw/zinc/26/28/82/645262882.db2.gz OUIRABUXPHYDPP-HZSPNIEDSA-N 0 0 324.421 2.188 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCC(=O)OC1CCCCC1 ZINC000801080323 645339170 /nfs/dbraw/zinc/33/91/70/645339170.db2.gz ZIKMYYFFJVIDKL-GDBMZVCRSA-N 0 0 309.406 2.350 10 30 DEEERN C#Cc1ccc(C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)nc1 ZINC000801131599 645343894 /nfs/dbraw/zinc/34/38/94/645343894.db2.gz KEXROERVSQJPJX-HXUWFJFHSA-N 0 0 320.392 2.229 10 30 DEEERN CC#CC(=O)N1CCN(Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000801177037 645349174 /nfs/dbraw/zinc/34/91/74/645349174.db2.gz CWGUYDIVCYWKGI-QAPCUYQASA-N 0 0 313.445 2.472 10 30 DEEERN C=CCCOC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000103648609 645407063 /nfs/dbraw/zinc/40/70/63/645407063.db2.gz BTQQKIJTHVMXFR-VOTSOKGWSA-N 0 0 301.346 2.438 10 30 DEEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCCO[C@H](C)C#N ZINC000801855226 645451212 /nfs/dbraw/zinc/45/12/12/645451212.db2.gz CEBACWSZNVDVPM-UCQJPZFISA-N 0 0 304.302 2.470 10 30 DEEERN C=C[C@@](C)(CCOC)COC(=O)c1cncc(-n2ccnn2)c1 ZINC000802211810 645500224 /nfs/dbraw/zinc/50/02/24/645500224.db2.gz UWGWNYSQKJWALR-INIZCTEOSA-N 0 0 316.361 2.048 10 30 DEEERN COCCn1c(N2CCC(C)(C#N)CC2)nnc1C(C)(C)C ZINC000802438009 645525628 /nfs/dbraw/zinc/52/56/28/645525628.db2.gz YSPKZDIBTWRYHU-UHFFFAOYSA-N 0 0 305.426 2.352 10 30 DEEERN C#C[C@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@H]1CCCO1 ZINC000803121023 645609964 /nfs/dbraw/zinc/60/99/64/645609964.db2.gz STUCGNOQJXAKGV-JKSUJKDBSA-N 0 0 312.344 2.026 10 30 DEEERN N#Cc1ccc(Cl)c(C(=O)N2CCO[C@@H](C(F)F)C2)c1 ZINC000803382013 645643347 /nfs/dbraw/zinc/64/33/47/645643347.db2.gz IKIXLJGYSCNSTE-LLVKDONJSA-N 0 0 300.692 2.318 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1nccn2cc(C)nc12 ZINC000803521421 645667559 /nfs/dbraw/zinc/66/75/59/645667559.db2.gz GVHFDRTUWBKHOW-MRXNPFEDSA-N 0 0 318.380 2.402 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc2nnn(C)c2c1 ZINC000803521411 645667851 /nfs/dbraw/zinc/66/78/51/645667851.db2.gz GQRUDGQWBWZQJW-INIZCTEOSA-N 0 0 318.380 2.333 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1nnc(-c2ccccc2)n1C ZINC000803700687 645682393 /nfs/dbraw/zinc/68/23/93/645682393.db2.gz ZEJBAXBUQKLTKU-UHFFFAOYSA-N 0 0 307.353 2.188 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)Nc1ccc(C)c(F)c1 ZINC000803700391 645682684 /nfs/dbraw/zinc/68/26/84/645682684.db2.gz NROBJTREWDYPSA-UHFFFAOYSA-N 0 0 301.317 2.279 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N(C)C1CCC(C)CC1 ZINC000803700528 645682766 /nfs/dbraw/zinc/68/27/66/645682766.db2.gz UEGOECXMOGEZLF-UHFFFAOYSA-N 0 0 303.402 2.230 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)Nc1ccccc1Cl ZINC000803700448 645682809 /nfs/dbraw/zinc/68/28/09/645682809.db2.gz QGXXYLOUXFWVFN-UHFFFAOYSA-N 0 0 303.745 2.485 10 30 DEEERN C=CCOC[C@H]1NC(=O)N(c2ccc(CC)c(CC)c2)C1=O ZINC000804206794 645741376 /nfs/dbraw/zinc/74/13/76/645741376.db2.gz QEPGDMGCEILFCA-OAHLLOKOSA-N 0 0 302.374 2.439 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc2nc[nH]c2n1 ZINC000804455849 645774179 /nfs/dbraw/zinc/77/41/79/645774179.db2.gz MCIMFUZMWSSKMH-CQSZACIVSA-N 0 0 304.353 2.322 10 30 DEEERN Cc1nccn1-c1ncccc1CNc1nc(C)cc(C#N)n1 ZINC000804593114 645794470 /nfs/dbraw/zinc/79/44/70/645794470.db2.gz SVZITQSWPWFDOZ-UHFFFAOYSA-N 0 0 305.345 2.158 10 30 DEEERN CC(C)[C@@H](C#N)OC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 ZINC000121556910 651045496 /nfs/dbraw/zinc/04/54/96/651045496.db2.gz ZQNMVXBKCZDUFF-VIIAAUOXSA-N 0 0 322.386 2.163 10 30 DEEERN COC(=O)C[C@@H](C)C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000151350802 646345855 /nfs/dbraw/zinc/34/58/55/646345855.db2.gz GFOUZFHWRVTBRX-YPMHNXCESA-N 0 0 307.321 2.250 10 30 DEEERN C=CCn1cnc2oc(C)c(C(=O)N3CCCC[C@@H]3C)c2c1=O ZINC000222766184 646465785 /nfs/dbraw/zinc/46/57/85/646465785.db2.gz UJOGLLSOTRELMY-NSHDSACASA-N 0 0 315.373 2.499 10 30 DEEERN C#CCOCCC(=O)OCc1ccccc1OC[C@H]1CCCO1 ZINC000166798843 646536140 /nfs/dbraw/zinc/53/61/40/646536140.db2.gz MYPSEGJUXIDPAK-MRXNPFEDSA-N 0 0 318.369 2.328 10 30 DEEERN C=C(Br)CNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000157883150 646574558 /nfs/dbraw/zinc/57/45/58/646574558.db2.gz HDYBHFBOLURVHY-UHFFFAOYSA-N 0 0 313.199 2.207 10 30 DEEERN C=CCn1c(C)nn(CN2CCC[C@H]2c2cnn(C)c2)c1=S ZINC000171361184 646697380 /nfs/dbraw/zinc/69/73/80/646697380.db2.gz WCIIJEJNKKJRJN-AWEZNQCLSA-N 0 0 318.450 2.437 10 30 DEEERN CN1C(=O)CC[C@H](C(=O)OCCCC#N)[C@@H]1c1ccccc1 ZINC000171858056 646715794 /nfs/dbraw/zinc/71/57/94/646715794.db2.gz APWPGPWTEYYUBR-HOCLYGCPSA-N 0 0 300.358 2.443 10 30 DEEERN C#C[C@H](C)OC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000151592615 646978826 /nfs/dbraw/zinc/97/88/26/646978826.db2.gz FZHRFKBEZVVEMY-WPRPVWTQSA-N 0 0 312.291 2.474 10 30 DEEERN C[C@@H](OC(=O)Cc1ccc(OCC#N)cc1)C1CCOCC1 ZINC000151661070 646993523 /nfs/dbraw/zinc/99/35/23/646993523.db2.gz QXYQAPUDKODFFS-CYBMUJFWSA-N 0 0 303.358 2.490 10 30 DEEERN Cn1cc(C#N)cc1C(=O)OCCOc1ccnc(Cl)c1 ZINC000089488736 647473911 /nfs/dbraw/zinc/47/39/11/647473911.db2.gz FNNLCYGEAUJTRH-UHFFFAOYSA-N 0 0 305.721 2.181 10 30 DEEERN Cc1cccc([C@H](O)CNC(=O)[C@H](C)Oc2ccccc2C#N)c1 ZINC000153542905 647504719 /nfs/dbraw/zinc/50/47/19/647504719.db2.gz FCJYTAWEUZSXGN-WMLDXEAASA-N 0 0 324.380 2.484 10 30 DEEERN N#CC1(COC(=O)c2ccc(-n3ccnc3)cc2)CCOCC1 ZINC000183924374 649202888 /nfs/dbraw/zinc/20/28/88/649202888.db2.gz XPDIUNBIRQHISV-UHFFFAOYSA-N 0 0 311.341 2.349 10 30 DEEERN CC#CCCCCOC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000183923745 649203141 /nfs/dbraw/zinc/20/31/41/649203141.db2.gz KOTDKPMUTLGAQS-UHFFFAOYSA-N 0 0 303.358 2.162 10 30 DEEERN C#CCCNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000733248379 649463709 /nfs/dbraw/zinc/46/37/09/649463709.db2.gz ZKSUXLOQUHOJJK-UHFFFAOYSA-N 0 0 315.323 2.392 10 30 DEEERN C#CCCNC(=O)NCc1cccc(OCc2ccccn2)c1 ZINC000733339201 649550057 /nfs/dbraw/zinc/55/00/57/649550057.db2.gz IOCIBTYBYZWAQO-UHFFFAOYSA-N 0 0 309.369 2.483 10 30 DEEERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H](C#N)C1CC1 ZINC000108829931 651721475 /nfs/dbraw/zinc/72/14/75/651721475.db2.gz HFOLBABJEJQLJN-SJORKVTESA-N 0 0 309.369 2.369 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N(C[C@H](C)O)C(C)C ZINC000304857259 685263005 /nfs/dbraw/zinc/26/30/05/685263005.db2.gz ZCERZOIKIQVBQN-LBPRGKRZSA-N 0 0 308.353 2.461 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)c1ccccc1 ZINC000075696351 683938118 /nfs/dbraw/zinc/93/81/18/683938118.db2.gz HTMJYKVLWNOGJI-BBRMVZONSA-N 0 0 310.353 2.175 10 30 DEEERN C#CCN(CC#C)CC(=O)Nc1ccc(N(CC)C(C)C)cc1 ZINC000076185830 683940907 /nfs/dbraw/zinc/94/09/07/683940907.db2.gz NTRCNKRPGVDKNE-UHFFFAOYSA-N 0 0 311.429 2.428 10 30 DEEERN C[C@@H](NC(=O)C#Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000080495458 683983155 /nfs/dbraw/zinc/98/31/55/683983155.db2.gz CMHPBYIIYMCGIA-OAHLLOKOSA-N 0 0 316.364 2.496 10 30 DEEERN C=CCC[C@H](C)OC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000089319716 684022152 /nfs/dbraw/zinc/02/21/52/684022152.db2.gz LKBKICAITUTABP-XDQVBPFNSA-N 0 0 307.390 2.448 10 30 DEEERN CCOC(=O)N1CCC[C@H](C(=O)OCC#Cc2ccccc2)C1 ZINC000121561090 684107516 /nfs/dbraw/zinc/10/75/16/684107516.db2.gz TUDUSNFEPFFCNA-INIZCTEOSA-N 0 0 315.369 2.450 10 30 DEEERN C#CCCCCNC(=O)NCc1cc(OC)c(O)c(OC)c1 ZINC000121732257 684109083 /nfs/dbraw/zinc/10/90/83/684109083.db2.gz PQTASIOVOAXRCC-UHFFFAOYSA-N 0 0 306.362 2.012 10 30 DEEERN COc1ccc2c(C)c(CCC(=O)N[C@H](C)C#N)c(=O)oc2c1 ZINC000125593348 684146773 /nfs/dbraw/zinc/14/67/73/684146773.db2.gz CVNKZNCMCCUHHM-SNVBAGLBSA-N 0 0 314.341 2.071 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)/C=C/c1ccnc(Cl)c1 ZINC000130629257 684191165 /nfs/dbraw/zinc/19/11/65/684191165.db2.gz ARDPTGMMTZRKPH-AATRIKPKSA-N 0 0 308.765 2.326 10 30 DEEERN C#CC[C@H](OC(=O)CNC(=O)c1ccc(OC)cc1)C(C)(C)C ZINC000159768213 684320539 /nfs/dbraw/zinc/32/05/39/684320539.db2.gz CMBMBCAPJQQBGA-HNNXBMFYSA-N 0 0 317.385 2.406 10 30 DEEERN C=C[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000187517145 684339131 /nfs/dbraw/zinc/33/91/31/684339131.db2.gz FFUGXWSCPXICFQ-GFCCVEGCSA-N 0 0 311.403 2.448 10 30 DEEERN N#CCOc1ccc(CNC(=O)c2cn3ccnc3s2)cc1 ZINC000188430628 684355818 /nfs/dbraw/zinc/35/58/18/684355818.db2.gz HGPJCBPKEUKWHX-UHFFFAOYSA-N 0 0 312.354 2.228 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCOC[C@H]1C ZINC000193897297 685051972 /nfs/dbraw/zinc/05/19/72/685051972.db2.gz VHLKPDACYMIJBH-CHWSQXEVSA-N 0 0 302.374 2.214 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CN1CCO[C@H](C)[C@H]1C ZINC000246908196 685138976 /nfs/dbraw/zinc/13/89/76/685138976.db2.gz GFCMENYLPNXTAA-CHWSQXEVSA-N 0 0 311.389 2.192 10 30 DEEERN N#Cc1ccccc1/C=C\C(=O)N1CCN[C@@H](c2cccnc2)C1 ZINC000886027815 691986819 /nfs/dbraw/zinc/98/68/19/691986819.db2.gz ZFWHOIXHQLMFKK-JTHGQSKGSA-N 0 0 318.380 2.140 10 30 DEEERN CC(=O)N1CCO[C@@H]2CCN(c3c(Cl)cccc3C#N)C[C@H]21 ZINC000886056911 691994699 /nfs/dbraw/zinc/99/46/99/691994699.db2.gz QIKBPNRJSNOPMU-HUUCEWRRSA-N 0 0 319.792 2.038 10 30 DEEERN COCCCNC(=O)C(C#N)=C(O)C(C)=Cc1ccc(C)cc1 ZINC000588401933 777071451 /nfs/dbraw/zinc/07/14/51/777071451.db2.gz RJHDJKMWDPQUQX-QBOMHBFWSA-N 0 0 314.385 2.260 10 30 DEEERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(O)=C(C#N)C(=O)NC(C)C ZINC000588447739 777210048 /nfs/dbraw/zinc/21/00/48/777210048.db2.gz VXFQCFKMUILYNE-KOTGUFOOSA-N 0 0 315.329 2.232 10 30 DEEERN CN(CC#N)S(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000588450596 777214163 /nfs/dbraw/zinc/21/41/63/777214163.db2.gz GZOCUNHHOZPWQB-TWGQIWQCSA-N 0 0 315.192 2.205 10 30 DEEERN C#CCCCCCOC(=O)/C=C\c1cncc(C(=O)NC)c1 ZINC000588456697 777219151 /nfs/dbraw/zinc/21/91/51/777219151.db2.gz IZHIZQQAYQRSRO-HJWRWDBZSA-N 0 0 300.358 2.191 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)/C=C\c2ccco2)cn1 ZINC000588468325 777239304 /nfs/dbraw/zinc/23/93/04/777239304.db2.gz CQEHFTURQLTBKF-WAYWQWQTSA-N 0 0 305.297 2.384 10 30 DEEERN C#C[C@@H](C)NS(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000588596958 777568645 /nfs/dbraw/zinc/56/86/45/777568645.db2.gz OAUNUEFBSKFLTR-GQYWMQPJSA-N 0 0 314.204 2.361 10 30 DEEERN C#CCCN(CCOC)S(=O)(=O)c1c(C)csc1C ZINC000725069246 777577763 /nfs/dbraw/zinc/57/77/63/777577763.db2.gz RASLQBJASFUPCS-UHFFFAOYSA-N 0 0 301.433 2.025 10 30 DEEERN C=C(COC(=O)c1c(C)nn(CC)c1Cl)C(=O)OCC ZINC000745361745 784726030 /nfs/dbraw/zinc/72/60/30/784726030.db2.gz PYPLBUBCZFZTSB-UHFFFAOYSA-N 0 0 300.742 2.141 10 30 DEEERN COc1ccc(CNC(=O)CSC(F)(F)F)cc1C#N ZINC000746922433 786543677 /nfs/dbraw/zinc/54/36/77/786543677.db2.gz SSSFXIRIBZGKOE-UHFFFAOYSA-N 0 0 304.293 2.436 10 30 DEEERN C#CC[C@H](COC)NC(=O)c1sccc1Br ZINC000716889039 793020291 /nfs/dbraw/zinc/02/02/91/793020291.db2.gz RGBCCUNBTIWIRJ-MRVPVSSYSA-N 0 0 302.193 2.279 10 30 DEEERN C#CCC[C@@H](O)CNS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000717898788 1081741570 /nfs/dbraw/zinc/74/15/70/1081741570.db2.gz KTQOBIOSRCQNNF-CFYYFVFUSA-N 0 0 313.806 2.004 10 30 DEEERN N#Cc1sc(N2C[C@@H](CO)[C@H](C(F)(F)F)C2)nc1Cl ZINC000709783472 1086684455 /nfs/dbraw/zinc/68/44/55/1086684455.db2.gz ZSXZFHYFPPFBHR-NTSWFWBYSA-N 0 0 311.716 2.275 10 30 DEEERN CSC[C@@H]1CCCN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720016522 1089424265 /nfs/dbraw/zinc/42/42/65/1089424265.db2.gz KFMBWZRLCBCSRO-LBPRGKRZSA-N 0 0 314.407 2.213 10 30 DEEERN C[C@@H]1SCCN(S(=O)(=O)c2cc(F)cc(C#N)c2)[C@H]1C ZINC000720037318 1089428289 /nfs/dbraw/zinc/42/82/89/1089428289.db2.gz MCPCYJXZTLZGOF-UWVGGRQHSA-N 0 0 314.407 2.212 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)NCC2CC(F)(F)C2)c1 ZINC000720062181 1089447240 /nfs/dbraw/zinc/44/72/40/1089447240.db2.gz MQWQIVKEISJRDB-UHFFFAOYSA-N 0 0 304.293 2.021 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000278331309 214095088 /nfs/dbraw/zinc/09/50/88/214095088.db2.gz WULREPKNKQGSBQ-NVXWUHKLSA-N 0 0 316.401 2.468 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC(C)(C)O2)cc1 ZINC000278327138 214092403 /nfs/dbraw/zinc/09/24/03/214092403.db2.gz WGEGQYILAQSCEE-AWEZNQCLSA-N 0 0 302.374 2.499 10 30 DEEERN C#CCOc1cccc(NC(=O)C(=O)NC2(CC)CCC2)c1 ZINC000278329454 214093489 /nfs/dbraw/zinc/09/34/89/214093489.db2.gz LAJPHVPIZUHHJP-UHFFFAOYSA-N 0 0 300.358 2.086 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000278329419 214094012 /nfs/dbraw/zinc/09/40/12/214094012.db2.gz WSWYKWXLIQSJPV-HUUCEWRRSA-N 0 0 323.414 2.151 10 30 DEEERN C=CCn1c(N2CC[C@@H](CO)C[C@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000624826130 365562232 /nfs/dbraw/zinc/56/22/32/365562232.db2.gz CUKONPGODGZSIE-CKEIUWERSA-N 0 0 320.437 2.087 10 30 DEEERN C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N(C)C[C@H]1CCCO1 ZINC000624837532 365566418 /nfs/dbraw/zinc/56/64/18/365566418.db2.gz RNWQAOHRYPKLJR-MGPQQGTHSA-N 0 0 306.410 2.319 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCc2c(F)ccc(F)c2C1 ZINC000612077027 361738818 /nfs/dbraw/zinc/73/88/18/361738818.db2.gz UFPGPGZFHQHMPR-MRXNPFEDSA-N 0 0 322.355 2.320 10 30 DEEERN CCN(CC)C(=O)C1CCN(c2nccc(C)c2C#N)CC1 ZINC000612074327 361738845 /nfs/dbraw/zinc/73/88/45/361738845.db2.gz GDVWDBWNYFGANU-UHFFFAOYSA-N 0 0 300.406 2.347 10 30 DEEERN COc1ccc(Cn2c(-c3cccs3)noc2=O)cc1C#N ZINC000162954943 197603052 /nfs/dbraw/zinc/60/30/52/197603052.db2.gz AITSRNHLULTPIS-UHFFFAOYSA-N 0 0 313.338 2.493 10 30 DEEERN C=CCN(CC(=O)Nc1sc2c(c1C#N)CCC2)C(C)=O ZINC000096775368 185387050 /nfs/dbraw/zinc/38/70/50/185387050.db2.gz SFPAUZXGIQIUAX-UHFFFAOYSA-N 0 0 303.387 2.081 10 30 DEEERN CN(CCS(C)(=O)=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000164484379 197654145 /nfs/dbraw/zinc/65/41/45/197654145.db2.gz IBXJLURNOHFVGZ-UHFFFAOYSA-N 0 0 306.309 2.058 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC=C(C(F)(F)F)CC1 ZINC000613018316 361982172 /nfs/dbraw/zinc/98/21/72/361982172.db2.gz NBKGKSZCKXNVDE-GFCCVEGCSA-N 0 0 304.312 2.178 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc2c(c1)OCCCO2 ZINC000278765200 214386259 /nfs/dbraw/zinc/38/62/59/214386259.db2.gz SCUOZFQEKKTRLO-RHSMWYFYSA-N 0 0 317.385 2.445 10 30 DEEERN CC(C)c1nnsc1C(=O)Nc1ncc(C#CCCO)s1 ZINC000087443176 185225310 /nfs/dbraw/zinc/22/53/10/185225310.db2.gz DXBGJYPFCVRYJR-UHFFFAOYSA-N 0 0 322.415 2.104 10 30 DEEERN Cc1nc(CNC(=O)c2cc(C#CCO)ccc2C)cs1 ZINC000087746141 185231288 /nfs/dbraw/zinc/23/12/88/185231288.db2.gz ZWEWFQPGHBLLLC-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN COc1ccc([C@H](C#N)N2CCN(C)CC2)cc1Br ZINC000088045162 185237962 /nfs/dbraw/zinc/23/79/62/185237962.db2.gz YWHYAWMVFINUHA-ZDUSSCGKSA-N 0 0 324.222 2.270 10 30 DEEERN CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1cccc(C#CCO)c1 ZINC000088310837 185245259 /nfs/dbraw/zinc/24/52/59/185245259.db2.gz FFFHWGMQUUWROD-UONOGXRCSA-N 0 0 309.431 2.133 10 30 DEEERN CC[C@H](C#N)S(=O)(=O)NCc1ccccc1C(F)(F)F ZINC000088485534 185253006 /nfs/dbraw/zinc/25/30/06/185253006.db2.gz CQENJZCCAUFNCV-SNVBAGLBSA-N 0 0 306.309 2.427 10 30 DEEERN CN(CCC(F)(F)F)S(=O)(=O)c1cccc(F)c1C#N ZINC000088422072 185249347 /nfs/dbraw/zinc/24/93/47/185249347.db2.gz ANXBCINHWRATSS-UHFFFAOYSA-N 0 0 310.272 2.270 10 30 DEEERN COc1ccc(C#CCO)cc1CN(C)CCC(F)(F)F ZINC000088433492 185249641 /nfs/dbraw/zinc/24/96/41/185249641.db2.gz OYBRCBLMWUUJCJ-UHFFFAOYSA-N 0 0 301.308 2.423 10 30 DEEERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000613163847 362024128 /nfs/dbraw/zinc/02/41/28/362024128.db2.gz VPDZHFZVDVSPJG-QLFBSQMISA-N 0 0 301.394 2.058 10 30 DEEERN C[C@H](CC#N)N(C)S(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000165947640 197684634 /nfs/dbraw/zinc/68/46/34/197684634.db2.gz OOCOCMRMJCYLBE-SSDOTTSWSA-N 0 0 322.217 2.498 10 30 DEEERN CC#CCNC(=O)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1 ZINC000613120406 362008803 /nfs/dbraw/zinc/00/88/03/362008803.db2.gz BKJNUBIRZJZRMY-UHFFFAOYSA-N 0 0 311.263 2.057 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1ccc(Nc2ccn(C)n2)cc1 ZINC000613252896 362058600 /nfs/dbraw/zinc/05/86/00/362058600.db2.gz LWYWBWCPRXTLMF-CYBMUJFWSA-N 0 0 314.389 2.078 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(CCCO)c1 ZINC000613391639 362099268 /nfs/dbraw/zinc/09/92/68/362099268.db2.gz LUEZURCOEMZTGK-INIZCTEOSA-N 0 0 304.390 2.021 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C2CCCC2)nn1C ZINC000613393482 362099461 /nfs/dbraw/zinc/09/94/61/362099461.db2.gz YAUOCZONCKEHAO-OAHLLOKOSA-N 0 0 318.421 2.487 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1nc(C)nn1-c1ccc(C#N)cc1 ZINC000613400411 362100897 /nfs/dbraw/zinc/10/08/97/362100897.db2.gz JFVCIDSTDDHCMS-LBPRGKRZSA-N 0 0 309.373 2.410 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](CCOC)c1ccc(C)o1 ZINC000613312958 362078146 /nfs/dbraw/zinc/07/81/46/362078146.db2.gz JGLQSZXRORFMGL-CABCVRRESA-N 0 0 322.405 2.253 10 30 DEEERN C=CCc1ccccc1OCC#CCNC(=O)c1cnccn1 ZINC000090731716 185311518 /nfs/dbraw/zinc/31/15/18/185311518.db2.gz KMUATWHYAUSDNU-UHFFFAOYSA-N 0 0 307.353 2.017 10 30 DEEERN O=C(NCC#CCOc1cccc2ccccc21)c1cnccn1 ZINC000090732983 185311727 /nfs/dbraw/zinc/31/17/27/185311727.db2.gz WYYLFOKJLXTOHO-UHFFFAOYSA-N 0 0 317.348 2.442 10 30 DEEERN N#CC1(NS(=O)(=O)c2cccc3ncccc32)CCCC1 ZINC000092352705 185313684 /nfs/dbraw/zinc/31/36/84/185313684.db2.gz CVXKXOLYOOIPDP-UHFFFAOYSA-N 0 0 301.371 2.349 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cc(OC)cc(OC)c2)C1 ZINC000625349426 365740893 /nfs/dbraw/zinc/74/08/93/365740893.db2.gz BCEFXZRDCFOUDO-GFCCVEGCSA-N 0 0 311.403 2.291 10 30 DEEERN CCOC(=O)[C@]1(CC)O[C@@]1(C)c1ccc(S(C)(=O)=O)cc1 ZINC000092597803 185328446 /nfs/dbraw/zinc/32/84/46/185328446.db2.gz GHQUYZGUTPFDDC-GJZGRUSLSA-N 0 0 312.387 2.047 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000625349412 365741041 /nfs/dbraw/zinc/74/10/41/365741041.db2.gz ALQZAKKFRYZSKO-GFCCVEGCSA-N 0 0 309.387 2.045 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000625350827 365742129 /nfs/dbraw/zinc/74/21/29/365742129.db2.gz RLJYOFVKQVFXRC-AWEZNQCLSA-N 0 0 317.414 2.459 10 30 DEEERN C=CCCCCNC(=O)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000613755576 362199803 /nfs/dbraw/zinc/19/98/03/362199803.db2.gz NEKTXARFCRVLOP-UHFFFAOYSA-N 0 0 318.373 2.193 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)CCc2ccc3c(c2)CCO3)C1 ZINC000625354188 365743448 /nfs/dbraw/zinc/74/34/48/365743448.db2.gz IAGPJNXWFIHNJK-OAHLLOKOSA-N 0 0 321.442 2.392 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000613892001 362241898 /nfs/dbraw/zinc/24/18/98/362241898.db2.gz FMSANIRGPOTDCC-CVEARBPZSA-N 0 0 316.401 2.406 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)C[C@@H](OC)C2CCCC2)C1 ZINC000625355540 365745521 /nfs/dbraw/zinc/74/55/21/365745521.db2.gz RRKILBNLEASRAS-UKRRQHHQSA-N 0 0 301.452 2.419 10 30 DEEERN C[C@@H]1CC[C@H](C(N)=O)CN1c1cccc(Br)c1C#N ZINC000168506772 197723966 /nfs/dbraw/zinc/72/39/66/197723966.db2.gz WZBLKXQWUUCKET-ZJUUUORDSA-N 0 0 322.206 2.411 10 30 DEEERN CN1CC[C@H](C(=O)NC[C@H]2Cc3ccccc3N(C)C2)CC1=O ZINC000330002731 529802589 /nfs/dbraw/zinc/80/25/89/529802589.db2.gz ZDHAHACJANDGRF-HIFRSBDPSA-N 0 0 315.417 2.120 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000614244789 362327291 /nfs/dbraw/zinc/32/72/91/362327291.db2.gz MUMLFMSEYLKBAK-WCQGTBRESA-N 0 0 306.328 2.257 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCCc1ccccc1OC(F)F ZINC000190967932 282329657 /nfs/dbraw/zinc/32/96/57/282329657.db2.gz ABFVZAFDSKGLGG-UHFFFAOYSA-N 0 0 319.311 2.471 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ncnc2sccc21 ZINC000614371865 362364302 /nfs/dbraw/zinc/36/43/02/362364302.db2.gz BGGUQANYXHVHLC-ZWNOBZJWSA-N 0 0 303.387 2.402 10 30 DEEERN CN(C)c1nnc(SC[C@](N)(C#N)c2ccccc2)s1 ZINC000111316677 185580478 /nfs/dbraw/zinc/58/04/78/185580478.db2.gz LRKGIBGSCMIZGV-CYBMUJFWSA-N 0 0 305.432 2.074 10 30 DEEERN C=CC(C)(C)CNC(=O)CN1CC[C@H](c2ccccc2)NC1=O ZINC000615830616 362709804 /nfs/dbraw/zinc/70/98/04/362709804.db2.gz DPPURBYFWWBTIY-OAHLLOKOSA-N 0 0 315.417 2.471 10 30 DEEERN N#Cc1cc(NC2CCS(=O)(=O)CC2)nc2ccccc12 ZINC000068770033 190782354 /nfs/dbraw/zinc/78/23/54/190782354.db2.gz BDHQPQYKZCTGBZ-UHFFFAOYSA-N 0 0 301.371 2.096 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@@H](OCC2CC2)C1 ZINC000625531191 365817514 /nfs/dbraw/zinc/81/75/14/365817514.db2.gz ZHYBUJPCWGHWCJ-OAHLLOKOSA-N 0 0 322.449 2.123 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCCC[C@H](CCOC)C1 ZINC000625610163 365848026 /nfs/dbraw/zinc/84/80/26/365848026.db2.gz DIBKROCEWBKTPR-OAHLLOKOSA-N 0 0 324.465 2.370 10 30 DEEERN CCOC(=O)C(C)(C)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000121556614 185816555 /nfs/dbraw/zinc/81/65/55/185816555.db2.gz KGOMYWIUEFDBMH-UHFFFAOYSA-N 0 0 323.780 2.081 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000616414157 362850545 /nfs/dbraw/zinc/85/05/45/362850545.db2.gz KFQMGASYNDANEE-UXLLHSPISA-N 0 0 304.365 2.211 10 30 DEEERN N#C[C@H]1CC(=O)N(c2cccc(I)c2)C1 ZINC000070492377 190902660 /nfs/dbraw/zinc/90/26/60/190902660.db2.gz MTKGZZQMFIQEFM-MRVPVSSYSA-N 0 0 312.110 2.168 10 30 DEEERN C[C@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)/C(N)=N/O ZINC000070579595 190907262 /nfs/dbraw/zinc/90/72/62/190907262.db2.gz RXTZBABZOKQENQ-SSDOTTSWSA-N 0 0 304.177 2.035 10 30 DEEERN COCCN(CCC#N)CC(=O)c1ccc(OC)c(Cl)c1 ZINC000071227094 190945996 /nfs/dbraw/zinc/94/59/96/190945996.db2.gz QUTLHTOCRSSCLQ-UHFFFAOYSA-N 0 0 310.781 2.393 10 30 DEEERN O=C(NC1(CO)CC1)C1(c2cncc(Br)c2)CC1 ZINC000329844403 404468707 /nfs/dbraw/zinc/46/87/07/404468707.db2.gz PWOGVMHNGNXLLK-UHFFFAOYSA-N 0 0 311.179 2.357 10 30 DEEERN C[C@@H]1[C@H](C)SCCN1C(=O)c1ccc(C#CCCO)cc1 ZINC000133650629 186003509 /nfs/dbraw/zinc/00/35/09/186003509.db2.gz OICWBQMIYSCPEA-KGLIPLIRSA-N 0 0 303.427 2.387 10 30 DEEERN CN[C@@](C)(C#N)COc1c(Br)cccc1[N+](=O)[O-] ZINC000133641029 186002343 /nfs/dbraw/zinc/00/23/43/186002343.db2.gz CZQCRWXHVFNMAD-NSHDSACASA-N 0 0 314.139 2.238 10 30 DEEERN C[C@@H]1SCCN(C(=O)c2ccc(C#CCO)c(F)c2)[C@H]1C ZINC000133637731 186002407 /nfs/dbraw/zinc/00/24/07/186002407.db2.gz OHPZGJUIUNWMFJ-RYUDHWBXSA-N 0 0 307.390 2.136 10 30 DEEERN C[C@H]1SCCN(C(=O)c2ccccc2C#CCCO)[C@H]1C ZINC000133656913 186003952 /nfs/dbraw/zinc/00/39/52/186003952.db2.gz UQNIIWVXVDISNU-UONOGXRCSA-N 0 0 303.427 2.387 10 30 DEEERN Cc1cc(C(=O)N2CCS[C@@H](C)[C@H]2C)ccc1C#CCO ZINC000133660177 186004017 /nfs/dbraw/zinc/00/40/17/186004017.db2.gz CLICCPRRSFLNLM-KGLIPLIRSA-N 0 0 303.427 2.305 10 30 DEEERN N#CCC[C@H](NC(=O)N[C@H]1CCCn2ncnc21)c1ccccc1 ZINC000133722733 186010023 /nfs/dbraw/zinc/01/00/23/186010023.db2.gz ZBTNRIPTNADWGW-GJZGRUSLSA-N 0 0 324.388 2.457 10 30 DEEERN CC[C@H](NC(=O)c1csc(C#CCCO)c1)c1ncc[nH]1 ZINC000141597104 186030739 /nfs/dbraw/zinc/03/07/39/186030739.db2.gz BJMHVEFVFIIPQU-ZDUSSCGKSA-N 0 0 303.387 2.086 10 30 DEEERN Cn1cc([C@@]2(C)CN(c3ccc(C#N)cc3F)CCO2)cn1 ZINC000268388297 282675840 /nfs/dbraw/zinc/67/58/40/282675840.db2.gz LKMPXAMLILVKAJ-MRXNPFEDSA-N 0 0 300.337 2.183 10 30 DEEERN N#Cc1cc(S(=O)(=O)Nc2ccc(N)c(F)c2)ccc1F ZINC000148725062 186045500 /nfs/dbraw/zinc/04/55/00/186045500.db2.gz XOUMQBCJWAASHM-UHFFFAOYSA-N 0 0 309.297 2.219 10 30 DEEERN C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CC[S@@](=O)C1 ZINC000407955117 290891723 /nfs/dbraw/zinc/89/17/23/290891723.db2.gz PWXAEORVSILFOA-JLTPVHFHSA-N 0 0 317.336 2.177 10 30 DEEERN C#CCOCCC(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000152675195 186096194 /nfs/dbraw/zinc/09/61/94/186096194.db2.gz HEFXXMGZJWXEGV-GDBMZVCRSA-N 0 0 301.386 2.440 10 30 DEEERN CCOC(C)(C)CNC(=O)c1ccc(C#CCO)c(Cl)c1 ZINC000159699768 186136347 /nfs/dbraw/zinc/13/63/47/186136347.db2.gz PVUPRAUGEGTVGW-UHFFFAOYSA-N 0 0 309.793 2.229 10 30 DEEERN C=C(C)COCCNCc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000163854235 186140718 /nfs/dbraw/zinc/14/07/18/186140718.db2.gz PTSHOQQWJSHLGE-UHFFFAOYSA-N 0 0 307.781 2.259 10 30 DEEERN C=CCOCCCC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000173299697 186173608 /nfs/dbraw/zinc/17/36/08/186173608.db2.gz UMKDMACUBIZIFX-MRXNPFEDSA-N 0 0 316.401 2.233 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000617040884 363007635 /nfs/dbraw/zinc/00/76/35/363007635.db2.gz ZUPJTBXXYNATIY-WCQYABFASA-N 0 0 300.362 2.300 10 30 DEEERN C=CCc1cc(C(=O)N[C@@H]2CCCOC2)cc(OC)c1OC ZINC000171690072 197967431 /nfs/dbraw/zinc/96/74/31/197967431.db2.gz MVTCIZXUYQNTCZ-CQSZACIVSA-N 0 0 305.374 2.341 10 30 DEEERN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CCS1 ZINC000171711800 197971646 /nfs/dbraw/zinc/97/16/46/197971646.db2.gz DLRJUOHMJBWEMQ-VIFPVBQESA-N 0 0 316.835 2.338 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NCc1cnc(C(F)(F)F)nc1 ZINC000617222746 363056059 /nfs/dbraw/zinc/05/60/59/363056059.db2.gz XHUQCZRBAJPOBD-CYBMUJFWSA-N 0 0 317.311 2.340 10 30 DEEERN CC(=O)N1CCC[C@H](C(=O)N[C@H](C#N)c2ccccc2Cl)C1 ZINC000172027504 198028572 /nfs/dbraw/zinc/02/85/72/198028572.db2.gz PMSJBKGUQLCPHP-SWLSCSKDSA-N 0 0 319.792 2.279 10 30 DEEERN C=CCn1cc(C(=O)N[C@@H](C)Cc2ccc(F)cc2C)nn1 ZINC000617317969 363090088 /nfs/dbraw/zinc/09/00/88/363090088.db2.gz CNMXIUZGFHGWQJ-LBPRGKRZSA-N 0 0 302.353 2.273 10 30 DEEERN C=C(CSc1nc2sccc2c(=O)n1C)C(=O)OCC ZINC000172293099 198073274 /nfs/dbraw/zinc/07/32/74/198073274.db2.gz DRIFPNPYKGLINL-UHFFFAOYSA-N 0 0 310.400 2.206 10 30 DEEERN C=CCCC1(CNC(=O)[C@H](C)N2C(=O)CCC2=O)CCCC1 ZINC000617416516 363127203 /nfs/dbraw/zinc/12/72/03/363127203.db2.gz UEXDIDPOEMAZTK-ZDUSSCGKSA-N 0 0 306.406 2.167 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@H](CO)[C@H]1CCC[C@H](OC)C1)OCC ZINC000617535967 363172122 /nfs/dbraw/zinc/17/21/22/363172122.db2.gz ZJKPNQZFBOTBFV-JONQDZQNSA-N 0 0 313.438 2.040 10 30 DEEERN Cc1cnc([C@H](C)NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)o1 ZINC000329242335 539916284 /nfs/dbraw/zinc/91/62/84/539916284.db2.gz OFWILSDZPFNMKL-NWDGAFQWSA-N 0 0 303.366 2.181 10 30 DEEERN CC(=O)NC1CCC(NC(=O)N2CC3(C2)CCCOC3)CC1 ZINC000329462635 539920969 /nfs/dbraw/zinc/92/09/69/539920969.db2.gz TZOZWTYOSTZHQK-UHFFFAOYSA-N 0 0 309.410 2.300 10 30 DEEERN NC(=O)c1ccc(NC(=O)N2CC3(C2)CCCOC3)c(F)c1 ZINC000329571606 539923265 /nfs/dbraw/zinc/92/32/65/539923265.db2.gz QTHRTFVXJQQVQG-UHFFFAOYSA-N 0 0 307.325 2.367 10 30 DEEERN Cn1ncc(NC(=O)N2CC3(C2)CCCOC3)c1C(F)(F)F ZINC000329553302 539923330 /nfs/dbraw/zinc/92/33/30/539923330.db2.gz KAHJZWBBZRTXSO-UHFFFAOYSA-N 0 0 318.299 2.097 10 30 DEEERN CCCC(=O)NCc1nc([C@@H]2CN3CCCC[C@@H]3CO2)no1 ZINC000329720324 539927942 /nfs/dbraw/zinc/92/79/42/539927942.db2.gz MSFAWTWHZAGMCR-NEPJUHHUSA-N 0 0 308.382 2.252 10 30 DEEERN C=CCN(C(=O)c1cc2cc[nH]c(=O)c2s1)[C@@H](C)COC ZINC000617585015 363196966 /nfs/dbraw/zinc/19/69/66/363196966.db2.gz QZMIAHAHAAEZSG-JTQLQIEISA-N 0 0 306.387 2.253 10 30 DEEERN C=CCOCCCC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000173520931 198223481 /nfs/dbraw/zinc/22/34/81/198223481.db2.gz WAKYROORSNAWCE-MRXNPFEDSA-N 0 0 320.437 2.116 10 30 DEEERN C=CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000617613921 363202666 /nfs/dbraw/zinc/20/26/66/363202666.db2.gz ALMSSWKUJILUGI-GFCCVEGCSA-N 0 0 304.415 2.454 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H]1c1cnn(C)c1 ZINC000173656426 198237496 /nfs/dbraw/zinc/23/74/96/198237496.db2.gz MVAVGQQGRSATRU-GDBMZVCRSA-N 0 0 304.438 2.370 10 30 DEEERN C=C[C@@H](CC(=O)N1CCC[C@@](CO)(OC)C1)c1ccccc1 ZINC000617799908 363269362 /nfs/dbraw/zinc/26/93/62/363269362.db2.gz FJIBQFDEZIBYFU-MAUKXSAKSA-N 0 0 303.402 2.346 10 30 DEEERN C=CC(C)(C)CCNC(=O)Nc1cccc(OCC(N)=O)c1 ZINC000626275326 366132813 /nfs/dbraw/zinc/13/28/13/366132813.db2.gz UZXLZCUBYWKIOA-UHFFFAOYSA-N 0 0 305.378 2.275 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2ccc(N3CCOCC3)cn2)C1 ZINC000626528912 366218515 /nfs/dbraw/zinc/21/85/15/366218515.db2.gz DSLNPPNDAGXGIU-AWEZNQCLSA-N 0 0 316.405 2.348 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CCOCC1 ZINC000063402933 354645137 /nfs/dbraw/zinc/64/51/37/354645137.db2.gz NDXPYOXSTLXKEB-UHFFFAOYSA-N 0 0 319.361 2.471 10 30 DEEERN C=CCNC(=O)N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000067359098 354759009 /nfs/dbraw/zinc/75/90/09/354759009.db2.gz WIWQQUSLFSZOKG-UHFFFAOYSA-N 0 0 301.390 2.119 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1ccc(C)c(C)c1 ZINC000618165942 363401832 /nfs/dbraw/zinc/40/18/32/363401832.db2.gz OEMRBVKDDVVNOT-KRWDZBQOSA-N 0 0 302.418 2.433 10 30 DEEERN C=CCCO[C@H](C)C(=O)N(CC(=O)OC)Cc1ccccc1 ZINC000069356672 354861699 /nfs/dbraw/zinc/86/16/99/354861699.db2.gz MNJQWHPTBZCHCB-CQSZACIVSA-N 0 0 305.374 2.169 10 30 DEEERN N#Cc1ccc(NC(=O)CCc2nc3ccccc3[nH]c2=O)cc1 ZINC000074933243 191390505 /nfs/dbraw/zinc/39/05/05/191390505.db2.gz DIMYEXJLSHFYPJ-UHFFFAOYSA-N 0 0 318.336 2.366 10 30 DEEERN Cn1cnc2cc(S(=O)(=O)Nc3cccc(C#N)c3)ccc21 ZINC000074945202 191394036 /nfs/dbraw/zinc/39/40/36/191394036.db2.gz OLNNACXDEUBSQE-UHFFFAOYSA-N 0 0 312.354 2.246 10 30 DEEERN N#Cc1cc(N2CCC[C@H]2C(N)=O)nc2ccc(Cl)cc12 ZINC000092582550 355640213 /nfs/dbraw/zinc/64/02/13/355640213.db2.gz ZENOXTZATILAMN-ZDUSSCGKSA-N 0 0 300.749 2.214 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000448378584 540187178 /nfs/dbraw/zinc/18/71/78/540187178.db2.gz VLRXUWZUXJHGRM-UHFFFAOYSA-N 0 0 311.179 2.470 10 30 DEEERN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)C(C)(C)C)c1 ZINC000112363721 355753198 /nfs/dbraw/zinc/75/31/98/355753198.db2.gz NTHVRVHXTTWILE-GFCCVEGCSA-N 0 0 324.446 2.315 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000135098660 355864865 /nfs/dbraw/zinc/86/48/65/355864865.db2.gz YVFHUHHIYMQGGY-CQSZACIVSA-N 0 0 316.401 2.473 10 30 DEEERN N#CC1(c2ccc(C(=O)NCC(=O)Nc3cccnc3)cc2)CC1 ZINC000180165350 356044634 /nfs/dbraw/zinc/04/46/34/356044634.db2.gz XUOSFFVPPICKNR-UHFFFAOYSA-N 0 0 320.352 2.005 10 30 DEEERN COC(=O)c1cncc(NC(=O)N(C)Cc2ccc(C#N)cc2)c1 ZINC000180572323 356053461 /nfs/dbraw/zinc/05/34/61/356053461.db2.gz ALDNKPQJLCISMP-UHFFFAOYSA-N 0 0 324.340 2.404 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000181416495 356080056 /nfs/dbraw/zinc/08/00/56/356080056.db2.gz DUYUMPYOMVLILT-JKSUJKDBSA-N 0 0 320.437 2.347 10 30 DEEERN N#CCC[C@@H](NC(=O)NCCCn1ccnn1)c1ccccc1 ZINC000183033722 356156465 /nfs/dbraw/zinc/15/64/65/356156465.db2.gz JHBBRWJBBCCNAG-OAHLLOKOSA-N 0 0 312.377 2.012 10 30 DEEERN C[C@@H](C#N)CNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000182709497 356141462 /nfs/dbraw/zinc/14/14/62/356141462.db2.gz OIMOVXIMMTVVBX-WDEREUQCSA-N 0 0 308.332 2.002 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(-c2nnc(CC)o2)cc1 ZINC000186300283 356212338 /nfs/dbraw/zinc/21/23/38/356212338.db2.gz YXJXRMPLHQZJMP-ZDUSSCGKSA-N 0 0 316.361 2.358 10 30 DEEERN C=C[C@H](CC(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1)c1ccccc1 ZINC000618324241 363459918 /nfs/dbraw/zinc/45/99/18/363459918.db2.gz SHNJVFHBOMJQOB-FMKPAKJESA-N 0 0 321.442 2.428 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](C(F)(F)F)C1 ZINC000193701444 356229352 /nfs/dbraw/zinc/22/93/52/356229352.db2.gz NDSXXEHAJCQJEO-RYUDHWBXSA-N 0 0 305.344 2.269 10 30 DEEERN COc1cc(I)cc(CC#N)c1OC ZINC000306585777 356404529 /nfs/dbraw/zinc/40/45/29/356404529.db2.gz HWGLYBQGUGUAOF-UHFFFAOYSA-N 0 0 303.099 2.374 10 30 DEEERN NC(=O)CN1C[C@@H](F)C[C@H]1CNC(=O)CCCn1cccc1 ZINC000328604999 356459671 /nfs/dbraw/zinc/45/96/71/356459671.db2.gz LUMPUJITIJBEPA-STQMWFEESA-N 0 0 310.373 2.172 10 30 DEEERN CC(=O)N[C@@]1(c2noc(C)n2)CCN(c2ccc(C#N)cc2)C1 ZINC000328610727 356459690 /nfs/dbraw/zinc/45/96/90/356459690.db2.gz IZGRGWPKUZFYBR-INIZCTEOSA-N 0 0 311.345 2.332 10 30 DEEERN Cc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)CCc2ccoc2)o1 ZINC000328621752 356461637 /nfs/dbraw/zinc/46/16/37/356461637.db2.gz ASUPPESUKNBGNS-STQMWFEESA-N 0 0 322.340 2.477 10 30 DEEERN COC(=O)c1ccc(NN=C2c3ccccc3N(C)C2=O)cc1 ZINC000005741463 181279049 /nfs/dbraw/zinc/27/90/49/181279049.db2.gz BRCQIBWGHLTDQE-XDJHFCHBSA-N 0 0 309.325 2.266 10 30 DEEERN CN(C[C@@H]1CCn2ccnc2C1)C(=O)NC[C@H]1CCCS1 ZINC000328632437 356464984 /nfs/dbraw/zinc/46/49/84/356464984.db2.gz RVKJCHORBAVOQM-CHWSQXEVSA-N 0 0 308.451 2.187 10 30 DEEERN N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000048763648 283174540 /nfs/dbraw/zinc/17/45/40/283174540.db2.gz VZFDYIACDKWMNV-HNNXBMFYSA-N 0 0 321.336 2.137 10 30 DEEERN Cc1cc(NC(=O)c2cc(C#N)cn2C)ccc1C(=O)N(C)C ZINC000081548152 192288205 /nfs/dbraw/zinc/28/82/05/192288205.db2.gz CYPXJFNDQAUHEL-UHFFFAOYSA-N 0 0 310.357 2.159 10 30 DEEERN CCO[C@@H]1C[C@@H](NC(=O)c2cc(C#N)cn2C)C12CCCC2 ZINC000081550525 192288954 /nfs/dbraw/zinc/28/89/54/192288954.db2.gz YFRLDIHPKGRVKH-HUUCEWRRSA-N 0 0 301.390 2.364 10 30 DEEERN C=CCOCCCNC(=O)C1=Cc2cccc(OC)c2OC1 ZINC000618522574 363514468 /nfs/dbraw/zinc/51/44/68/363514468.db2.gz MWFGGRGQFVIELE-UHFFFAOYSA-N 0 0 303.358 2.180 10 30 DEEERN C=CCOCCCNC(=O)[C@@H]1CCN(c2ccccc2F)C1 ZINC000618525865 363516791 /nfs/dbraw/zinc/51/67/91/363516791.db2.gz MZVYMPCJZWWXIV-CQSZACIVSA-N 0 0 306.381 2.361 10 30 DEEERN C=CCOCCCNC(=O)[C@H](C)Cn1ncc2ccccc21 ZINC000618526278 363516960 /nfs/dbraw/zinc/51/69/60/363516960.db2.gz QZXRSMDSYYQCPP-CQSZACIVSA-N 0 0 301.390 2.381 10 30 DEEERN C=CCOCCCNC(=O)c1cccc(OCC(F)F)n1 ZINC000618526512 363517479 /nfs/dbraw/zinc/51/74/79/363517479.db2.gz SNKQGWPDMZAZOR-UHFFFAOYSA-N 0 0 300.305 2.048 10 30 DEEERN N#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1S(N)(=O)=O ZINC000514280224 356741819 /nfs/dbraw/zinc/74/18/19/356741819.db2.gz MNKJQPMGAVBSIQ-UHFFFAOYSA-N 0 0 318.198 2.243 10 30 DEEERN C=CCC(C)(C)C(=O)N[C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000579364066 356964520 /nfs/dbraw/zinc/96/45/20/356964520.db2.gz RVCDKBVTYNULTK-CQSZACIVSA-N 0 0 305.422 2.342 10 30 DEEERN C=CCCCCCNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)OC ZINC000579972235 357061850 /nfs/dbraw/zinc/06/18/50/357061850.db2.gz RIFQNZNSGDZXGC-ZIAGYGMSSA-N 0 0 317.451 2.384 10 30 DEEERN C=CCC1(C(=O)NCCc2nnc3n2CCCC3)CCCC1 ZINC000580814726 357084199 /nfs/dbraw/zinc/08/41/99/357084199.db2.gz IMTYRPUVFNWYLD-UHFFFAOYSA-N 0 0 302.422 2.410 10 30 DEEERN C=CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C2CCC2)C1 ZINC000581595302 357212681 /nfs/dbraw/zinc/21/26/81/357212681.db2.gz RUWXFEFFAZZJEK-CABCVRRESA-N 0 0 318.421 2.321 10 30 DEEERN Cc1nc(CN2CCN(c3cc(C#N)cc(C)n3)CC2)cs1 ZINC000585702387 357347822 /nfs/dbraw/zinc/34/78/22/357347822.db2.gz DZGPDMLSMLRQLY-UHFFFAOYSA-N 0 0 313.430 2.349 10 30 DEEERN N#Cc1cc(O)cc(C(=O)NCc2ccnc(OC(F)F)c2)c1 ZINC000586840283 357377378 /nfs/dbraw/zinc/37/73/78/357377378.db2.gz CRKLYYPJZKOCDY-UHFFFAOYSA-N 0 0 319.267 2.190 10 30 DEEERN CCOC(=O)C(C)(C)CC(=O)NCc1ccc(C#N)cc1F ZINC000588156898 357398747 /nfs/dbraw/zinc/39/87/47/357398747.db2.gz MNYKZIQYPAVHRG-UHFFFAOYSA-N 0 0 306.337 2.293 10 30 DEEERN C=C[C@H](N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)C(=O)OC ZINC000589267290 357460758 /nfs/dbraw/zinc/46/07/58/357460758.db2.gz LGSXCWNVDPMFIZ-SOUVJXGZSA-N 0 0 310.344 2.027 10 30 DEEERN C=CCOc1ccc(C(=O)N2C[C@H]3COC[C@]3(C)C2)cc1OC ZINC000618722409 363586626 /nfs/dbraw/zinc/58/66/26/363586626.db2.gz MTNOBPZKMMZEBU-KSSFIOAISA-N 0 0 317.385 2.369 10 30 DEEERN C=CCC1(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCOCC1 ZINC000591758860 357756737 /nfs/dbraw/zinc/75/67/37/357756737.db2.gz OLNUMXYAQOUHBX-MRXNPFEDSA-N 0 0 319.449 2.052 10 30 DEEERN C=CCOc1cccc(CN2CCS(=O)(=O)C(C)(C)C2)c1 ZINC000179989499 199103468 /nfs/dbraw/zinc/10/34/68/199103468.db2.gz DIWBJFPRTNCBRH-UHFFFAOYSA-N 0 0 309.431 2.260 10 30 DEEERN C[C@H]1C[C@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@@H](C)C1 ZINC000364617497 291136754 /nfs/dbraw/zinc/13/67/54/291136754.db2.gz ZKCHGSDSJRJMHK-ORIJERBGSA-N 0 0 304.438 2.193 10 30 DEEERN C=CCCn1cc(C[S@](=O)[C@H](C)c2nc(C(C)C)no2)nn1 ZINC000593939666 358174671 /nfs/dbraw/zinc/17/46/71/358174671.db2.gz ZPBNSJUYMCGMDZ-XFNZEKPQSA-N 0 0 323.422 2.371 10 30 DEEERN C=CCCn1cc(C[S@](=O)Cc2ccc(OC)c(F)c2)nn1 ZINC000593936510 358174855 /nfs/dbraw/zinc/17/48/55/358174855.db2.gz BLYFMDWDDIJEOG-JOCHJYFZSA-N 0 0 323.393 2.451 10 30 DEEERN C=CCCn1cc(CN2CCC[C@@H](C(=O)OC(C)(C)C)C2)nn1 ZINC000593973219 358181488 /nfs/dbraw/zinc/18/14/88/358181488.db2.gz GUVAOFRHQPHINC-CQSZACIVSA-N 0 0 320.437 2.408 10 30 DEEERN C=CCNC(=O)NC[C@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594686498 358317336 /nfs/dbraw/zinc/31/73/36/358317336.db2.gz NOGLEAQDJXDDMW-CQSZACIVSA-N 0 0 302.374 2.378 10 30 DEEERN C=CCCn1cc(CSCCc2nnn(C(C)(C)C)n2)nn1 ZINC000596369065 358673818 /nfs/dbraw/zinc/67/38/18/358673818.db2.gz DWEBBVWDCHKGCT-UHFFFAOYSA-N 0 0 321.454 2.072 10 30 DEEERN COCCN(CCF)c1ncc(Br)cc1C#N ZINC000596446827 358688885 /nfs/dbraw/zinc/68/88/85/358688885.db2.gz PSPAPPIOWUEUJD-UHFFFAOYSA-N 0 0 302.147 2.138 10 30 DEEERN C=CCC1(NC(=O)Nc2cncc(C(=O)OC)c2)CCOCC1 ZINC000596794270 358763246 /nfs/dbraw/zinc/76/32/46/358763246.db2.gz AKWAIBULFRXLGL-UHFFFAOYSA-N 0 0 319.361 2.115 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2c1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000596527422 358706975 /nfs/dbraw/zinc/70/69/75/358706975.db2.gz DORLNVMCAXTTKV-PHIMTYICSA-N 0 0 303.318 2.464 10 30 DEEERN C[C@]1(C#N)CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000596532165 358707465 /nfs/dbraw/zinc/70/74/65/358707465.db2.gz ZRTNTBXUVHXLOG-LLVKDONJSA-N 0 0 311.139 2.492 10 30 DEEERN C=CCCC1(CNC(=O)N2CCO[C@H](C(=O)OC)C2)CCCC1 ZINC000596683633 358739703 /nfs/dbraw/zinc/73/97/03/358739703.db2.gz NSRZVEFVMVFEIE-AWEZNQCLSA-N 0 0 324.421 2.096 10 30 DEEERN C=CCOCCCNC(=O)Nc1ccccc1C[S@](C)=O ZINC000596846094 358774381 /nfs/dbraw/zinc/77/43/81/358774381.db2.gz VSHZTFSAUZPERF-NRFANRHFSA-N 0 0 310.419 2.279 10 30 DEEERN C=CCCSCCNC(=O)c1cnc2c(cnn2C)c1OC ZINC000597967185 359054627 /nfs/dbraw/zinc/05/46/27/359054627.db2.gz RKQDZOHBMYXLDN-UHFFFAOYSA-N 0 0 320.418 2.016 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000185869109 199897332 /nfs/dbraw/zinc/89/73/32/199897332.db2.gz CVDDNWQHMQNBMY-CYBMUJFWSA-N 0 0 315.373 2.061 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000599360843 359477215 /nfs/dbraw/zinc/47/72/15/359477215.db2.gz RCZPYIQRIHWYJY-UHFFFAOYSA-N 0 0 317.432 2.415 10 30 DEEERN C=CC[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599530412 359517836 /nfs/dbraw/zinc/51/78/36/359517836.db2.gz WRMIVHVAZCRZRN-ZDUSSCGKSA-N 0 0 324.402 2.267 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccccc2C(=O)OCC)C1 ZINC000599373842 359481879 /nfs/dbraw/zinc/48/18/79/359481879.db2.gz DVFTZTWQBFWSHD-CYBMUJFWSA-N 0 0 323.414 2.450 10 30 DEEERN N#Cc1ccccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000599405128 359490409 /nfs/dbraw/zinc/49/04/09/359490409.db2.gz YDQWYQNVOCTWHP-OLZOCXBDSA-N 0 0 308.428 2.217 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000186655249 199987799 /nfs/dbraw/zinc/98/77/99/199987799.db2.gz HHQRJZIFRUIXCY-JTQLQIEISA-N 0 0 303.449 2.261 10 30 DEEERN CCC1(CC)CN(C(=O)c2cc(C#N)cs2)CC[S@]1=O ZINC000186726679 199998560 /nfs/dbraw/zinc/99/85/60/199998560.db2.gz FDMFDFGLLMOODZ-HXUWFJFHSA-N 0 0 310.444 2.383 10 30 DEEERN N#CCOc1cccc(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000089760093 192859369 /nfs/dbraw/zinc/85/93/69/192859369.db2.gz KFGZECGUYBUPJY-IRXDYDNUSA-N 0 0 314.385 2.301 10 30 DEEERN C#CCOc1ccccc1NC(=O)C(=O)NCCC1CCCC1 ZINC000187353162 200099620 /nfs/dbraw/zinc/09/96/20/200099620.db2.gz ZELPZZKTBCGZNQ-UHFFFAOYSA-N 0 0 314.385 2.334 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000600214778 359692012 /nfs/dbraw/zinc/69/20/12/359692012.db2.gz SIEYPWGHQUSDOI-LLVKDONJSA-N 0 0 318.329 2.420 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NC[C@H](C(=O)OC)C1CCCCC1 ZINC000600414517 359737131 /nfs/dbraw/zinc/73/71/31/359737131.db2.gz MUGJAHLICSHLAX-ZFWWWQNUSA-N 0 0 311.422 2.453 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@H](C[C@H]1CCCOC1)C(=O)OC ZINC000600435416 359741939 /nfs/dbraw/zinc/74/19/39/359741939.db2.gz KWXFJABZVDOWQA-UKRRQHHQSA-N 0 0 309.406 2.229 10 30 DEEERN C=CCNC(=O)Nc1ccc(NC[C@@H](O)CC2(C#N)CC2)cc1 ZINC000600739152 359816278 /nfs/dbraw/zinc/81/62/78/359816278.db2.gz NBOGCBVQSCMQQW-HNNXBMFYSA-N 0 0 314.389 2.461 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cnc(C(C)C)nc1 ZINC000627686634 366591440 /nfs/dbraw/zinc/59/14/40/366591440.db2.gz VUKPNBXBWVJQHH-UHFFFAOYSA-N 0 0 304.394 2.257 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccccc2-n2cccn2)C1 ZINC000627736384 366604917 /nfs/dbraw/zinc/60/49/17/366604917.db2.gz WJOGZLJXQZXRSH-AWEZNQCLSA-N 0 0 324.384 2.235 10 30 DEEERN C=CC[C@@H](C(=O)NC1CC(N2CCOCC2)C1)c1ccccc1 ZINC000627939141 366666831 /nfs/dbraw/zinc/66/68/31/366666831.db2.gz DVXIJLIYGGDSPC-DAWZGUTISA-N 0 0 314.429 2.326 10 30 DEEERN C=C(C)C[C@@H](Nc1ncncc1Br)C(=O)OC ZINC000601227783 359973713 /nfs/dbraw/zinc/97/37/13/359973713.db2.gz SJOMRTCUCCXNQR-SECBINFHSA-N 0 0 300.156 2.159 10 30 DEEERN C=CCCSCCNS(=O)(=O)CC1(OC)CCCC1 ZINC000601464932 360048535 /nfs/dbraw/zinc/04/85/35/360048535.db2.gz SUSDLOAIJYKPRI-UHFFFAOYSA-N 0 0 307.481 2.174 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H](CC2(OC)CCC2)C(=O)OCC)C1 ZINC000601652885 360100928 /nfs/dbraw/zinc/10/09/28/360100928.db2.gz DJTNLUFFLCNRIT-ZDUSSCGKSA-N 0 0 309.406 2.350 10 30 DEEERN C=C(C)C[C@@H](NS(=O)(=O)c1ccc(C)cc1C)C(=O)OC ZINC000601501963 360055550 /nfs/dbraw/zinc/05/55/50/360055550.db2.gz IFONASKFJLUYOS-CYBMUJFWSA-N 0 0 311.403 2.090 10 30 DEEERN C=C(C)C[C@@H](NS(=O)(=O)c1ccc(C2CC2)cc1)C(=O)OC ZINC000601501206 360055554 /nfs/dbraw/zinc/05/55/54/360055554.db2.gz JXGXOKOKSVURKB-OAHLLOKOSA-N 0 0 323.414 2.350 10 30 DEEERN C=C(C)C[C@@H](NS(=O)(=O)c1ccccc1CC)C(=O)OC ZINC000601501650 360055561 /nfs/dbraw/zinc/05/55/61/360055561.db2.gz FUMOTTLKVMRSOC-CYBMUJFWSA-N 0 0 311.403 2.035 10 30 DEEERN CO[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[C@H]1C ZINC000189256923 200371041 /nfs/dbraw/zinc/37/10/41/200371041.db2.gz BADVMXNBIZDBLQ-DOMZBBRYSA-N 0 0 312.373 2.465 10 30 DEEERN C=CCCCCNC(=O)NC[C@]1(C(=O)OCC)CCCOC1 ZINC000601592431 360081851 /nfs/dbraw/zinc/08/18/51/360081851.db2.gz TULLEBBIOYIKRE-MRXNPFEDSA-N 0 0 312.410 2.002 10 30 DEEERN C=C(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)OC ZINC000601770183 360140566 /nfs/dbraw/zinc/14/05/66/360140566.db2.gz AYJRYVZHRXAUBS-CYBMUJFWSA-N 0 0 311.765 2.343 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(-c2cccs2)n[nH]1)C(=O)OC ZINC000601776550 360143589 /nfs/dbraw/zinc/14/35/89/360143589.db2.gz BRKCZONJYFFHGL-LBPRGKRZSA-N 0 0 319.386 2.376 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H](C)OCc1ccccc1)C(=O)OC ZINC000601778666 360144394 /nfs/dbraw/zinc/14/43/94/360144394.db2.gz OSSVSVTWXROBGS-DZGCQCFKSA-N 0 0 305.374 2.216 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(N(C)C)cc1F)C(=O)OC ZINC000601780184 360144538 /nfs/dbraw/zinc/14/45/38/360144538.db2.gz BEJMYVMJNSETTD-AWEZNQCLSA-N 0 0 308.353 2.129 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(Br)c[nH]1)C(=O)OC ZINC000601780446 360144630 /nfs/dbraw/zinc/14/46/30/360144630.db2.gz YBGRRCGQUQFZIP-SNVBAGLBSA-N 0 0 315.167 2.015 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1CSc2ccccc21)C(=O)OC ZINC000601782724 360146739 /nfs/dbraw/zinc/14/67/39/360146739.db2.gz RRZJFFHIXUPYQT-OLZOCXBDSA-N 0 0 305.399 2.500 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1)C(=O)OC ZINC000601783724 360147812 /nfs/dbraw/zinc/14/78/12/360147812.db2.gz YLUNHLQUJDFFKY-HOCLYGCPSA-N 0 0 317.385 2.231 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H](C)Cc1ccc(OC)cc1)C(=O)OC ZINC000601785768 360148415 /nfs/dbraw/zinc/14/84/15/360148415.db2.gz CKYNJDCHISYORY-CJNGLKHVSA-N 0 0 319.401 2.498 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H]1COc2cc(C)c(C)cc21)C(=O)OC ZINC000601785544 360148505 /nfs/dbraw/zinc/14/85/05/360148505.db2.gz BYWPZAAKDAJVBC-GJZGRUSLSA-N 0 0 317.385 2.403 10 30 DEEERN C=C(C)C[C@H](NC(=O)C[C@@H]1OCc2ccccc21)C(=O)OC ZINC000601785804 360148598 /nfs/dbraw/zinc/14/85/98/360148598.db2.gz VBOGZGVNWFJYOW-GJZGRUSLSA-N 0 0 303.358 2.272 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1C[C@@]1(F)c1ccccc1)C(=O)OC ZINC000601785794 360148837 /nfs/dbraw/zinc/14/88/37/360148837.db2.gz VBIBFQNQGYZYQW-GRDNDAEWSA-N 0 0 305.349 2.495 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(NC(C)=O)ccc1C)C(=O)OC ZINC000601788344 360150573 /nfs/dbraw/zinc/15/05/73/360150573.db2.gz UFNKQSHHYVFWSX-HNNXBMFYSA-N 0 0 318.373 2.191 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1oc(CC(C)C)nc1C)C(=O)OC ZINC000601788712 360151182 /nfs/dbraw/zinc/15/11/82/360151182.db2.gz XDTGTPXWBFKQQG-LBPRGKRZSA-N 0 0 308.378 2.419 10 30 DEEERN C=CCOCCCC(=O)N1c2cccc(C)c2C[C@@H]1C(=O)OC ZINC000602418942 360363986 /nfs/dbraw/zinc/36/39/86/360363986.db2.gz QXJNZSMKWRJXFV-MRXNPFEDSA-N 0 0 317.385 2.409 10 30 DEEERN C=C(C)C[C@H](NCc1cc(OC)c(O)c(OC)c1)C(=O)OC ZINC000602732953 360524555 /nfs/dbraw/zinc/52/45/55/360524555.db2.gz FFRPHXRRQBISKC-LBPRGKRZSA-N 0 0 309.362 2.007 10 30 DEEERN CC(C)N(CCC#N)C(=O)CCc1nc2ccccc2oc1=O ZINC000608813748 361267796 /nfs/dbraw/zinc/26/77/96/361267796.db2.gz AKLAQXCRUPVVNN-UHFFFAOYSA-N 0 0 313.357 2.271 10 30 DEEERN N#CCCCOc1cccnc1NC(=O)c1cn2cccnc2n1 ZINC000608882839 361272675 /nfs/dbraw/zinc/27/26/75/361272675.db2.gz FUUBPZJWNIQVOV-UHFFFAOYSA-N 0 0 322.328 2.059 10 30 DEEERN Cc1cc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(C)[nH]1 ZINC000609621814 361328297 /nfs/dbraw/zinc/32/82/97/361328297.db2.gz FNTPHULZWSYUFI-KRWDZBQOSA-N 0 0 322.412 2.482 10 30 DEEERN C[C@@H]1CN(C(=O)c2sccc2C#N)C[C@@H](C(F)(F)F)O1 ZINC000610399167 361393204 /nfs/dbraw/zinc/39/32/04/361393204.db2.gz VXBYIRDRGARVSM-APPZFPTMSA-N 0 0 304.293 2.412 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1ccc(OC)c(OCCO)c1 ZINC000628313124 366805883 /nfs/dbraw/zinc/80/58/83/366805883.db2.gz DCAWPZWYNBUONM-UHFFFAOYSA-N 0 0 307.390 2.398 10 30 DEEERN COC[C@](C)(NC(=O)Cc1cccc(C#N)c1)C(F)(F)F ZINC000610524914 361415846 /nfs/dbraw/zinc/41/58/46/361415846.db2.gz QVSTWQHIHYSUHP-ZDUSSCGKSA-N 0 0 300.280 2.184 10 30 DEEERN CN(CC(=O)Nc1cc(CC#N)ccn1)c1ccc(Cl)cn1 ZINC000610793753 361469227 /nfs/dbraw/zinc/46/92/27/361469227.db2.gz GBCHYDYUHOLOCY-UHFFFAOYSA-N 0 0 315.764 2.271 10 30 DEEERN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000611039096 361516792 /nfs/dbraw/zinc/51/67/92/361516792.db2.gz BPXOUZZJIRXJFN-LBPRGKRZSA-N 0 0 317.389 2.470 10 30 DEEERN N#Cc1ccc(CNC(=O)Cc2ccc3n[nH]cc3c2)c(F)c1 ZINC000619434969 363793157 /nfs/dbraw/zinc/79/31/57/363793157.db2.gz WEKTYHARLNFKFE-UHFFFAOYSA-N 0 0 308.316 2.433 10 30 DEEERN CCS(=O)(=O)c1cccc(C(=O)N[C@H](C#N)CC(C)C)c1 ZINC000611194333 361546262 /nfs/dbraw/zinc/54/62/62/361546262.db2.gz YVLXLMBYAKRGRO-ZDUSSCGKSA-N 0 0 308.403 2.148 10 30 DEEERN CCc1n[nH]cc1C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000611282969 361570891 /nfs/dbraw/zinc/57/08/91/361570891.db2.gz VSKKVOQQASUXID-UHFFFAOYSA-N 0 0 320.356 2.164 10 30 DEEERN Cn1cc(C(=O)N2CCC(C)(C#N)CC2)c(-c2ccncc2)n1 ZINC000611561201 361631931 /nfs/dbraw/zinc/63/19/31/361631931.db2.gz PHTGAYXISKPHDP-UHFFFAOYSA-N 0 0 309.373 2.248 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCC(O)(CC)CC ZINC000611674972 361654771 /nfs/dbraw/zinc/65/47/71/361654771.db2.gz VVAHNIFHYOEVMD-LSDHHAIUSA-N 0 0 324.465 2.295 10 30 DEEERN COCCN(CCC#N)C(=O)c1cn(C)c2ccc(F)cc12 ZINC000619536459 363819914 /nfs/dbraw/zinc/81/99/14/363819914.db2.gz KHAXHFAPLRSDCV-UHFFFAOYSA-N 0 0 303.337 2.320 10 30 DEEERN Cc1noc([C@H]2C[C@H](O)CN2c2ccc(C#N)c(Cl)c2)n1 ZINC000619745164 363870224 /nfs/dbraw/zinc/87/02/24/363870224.db2.gz GVJQTBIEDAHNEB-WCQYABFASA-N 0 0 304.737 2.215 10 30 DEEERN Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C)c2ccccc21 ZINC000619735821 363868703 /nfs/dbraw/zinc/86/87/03/363868703.db2.gz LTSHTLWYANZNMG-QGZVFWFLSA-N 0 0 324.363 2.416 10 30 DEEERN C[C@@H](C(=O)N[C@H]1CCCc2ccc(F)cc21)n1cnc(C#N)n1 ZINC000619600109 363837418 /nfs/dbraw/zinc/83/74/18/363837418.db2.gz MZRCJVSBIZFPJU-HZMBPMFUSA-N 0 0 313.336 2.044 10 30 DEEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000619646402 363847118 /nfs/dbraw/zinc/84/71/18/363847118.db2.gz GFCBOWSCDUUDKG-LBPRGKRZSA-N 0 0 318.373 2.191 10 30 DEEERN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C#N)c1 ZINC000619801121 363878765 /nfs/dbraw/zinc/87/87/65/363878765.db2.gz PEAOEKAVAASWSM-VHRNVKJDSA-N 0 0 321.384 2.238 10 30 DEEERN C=CC[C@H](C(=O)NCC1(S(=O)(=O)CC)CC1)c1ccccc1 ZINC000620052864 363944664 /nfs/dbraw/zinc/94/46/64/363944664.db2.gz JTKUPKUAHARLCC-HNNXBMFYSA-N 0 0 321.442 2.430 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnc2ccccc2c1=O ZINC000620317362 364014861 /nfs/dbraw/zinc/01/48/61/364014861.db2.gz NLJRLVLAXPSHIQ-OKILXGFUSA-N 0 0 309.369 2.106 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000620135857 363968072 /nfs/dbraw/zinc/96/80/72/363968072.db2.gz DAZBQWHSRMTOGU-KGLIPLIRSA-N 0 0 317.385 2.369 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](O)Cc1cccc(OC)c1 ZINC000620303719 364012645 /nfs/dbraw/zinc/01/26/45/364012645.db2.gz BPLJDDMHARGDTM-HLLBOEOZSA-N 0 0 301.386 2.308 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC[C@@H]3COC[C@H]3C2)cc1OC ZINC000620151458 363975688 /nfs/dbraw/zinc/97/56/88/363975688.db2.gz HBCCIYJHONFUIX-HUUCEWRRSA-N 0 0 317.385 2.369 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000620313712 364013751 /nfs/dbraw/zinc/01/37/51/364013751.db2.gz ADIWJXVZAWDEFM-GASCZTMLSA-N 0 0 320.414 2.381 10 30 DEEERN C=CCCn1cc(C(=O)Nc2ccc(OCC)c(C)n2)nn1 ZINC000620646521 364110637 /nfs/dbraw/zinc/11/06/37/364110637.db2.gz HFDBPCJMCKTQAN-UHFFFAOYSA-N 0 0 301.350 2.209 10 30 DEEERN C=C(C)CN(CC)C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621563687 364454820 /nfs/dbraw/zinc/45/48/20/364454820.db2.gz MHJHSOFYSIKSFW-OAHLLOKOSA-N 0 0 322.430 2.264 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)N[C@H](C(F)F)C1CCCCC1 ZINC000621499706 364427724 /nfs/dbraw/zinc/42/77/24/364427724.db2.gz CQHMMUKKDFYOJY-STQMWFEESA-N 0 0 302.365 2.274 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CNC(=O)c2cccc(Cl)c2)C1 ZINC000628482092 366862185 /nfs/dbraw/zinc/86/21/85/366862185.db2.gz DSSWFAZZBUZZRI-LBPRGKRZSA-N 0 0 306.793 2.494 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CNC(=O)c2cccc(Cl)c2)C1 ZINC000628482091 366863112 /nfs/dbraw/zinc/86/31/12/366863112.db2.gz DSSWFAZZBUZZRI-GFCCVEGCSA-N 0 0 306.793 2.494 10 30 DEEERN C=CCN(C(=O)Cc1nn(C)c(=O)c2ccccc12)C(C)(C)C ZINC000622943109 364837565 /nfs/dbraw/zinc/83/75/65/364837565.db2.gz OGXNJPVRBNVQRH-UHFFFAOYSA-N 0 0 313.401 2.289 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000623340017 364992432 /nfs/dbraw/zinc/99/24/32/364992432.db2.gz TWRNYKLZWXNTJP-KBPBESRZSA-N 0 0 302.374 2.434 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2cccc(C(=O)N(C)C)c2)C1 ZINC000623464901 365039865 /nfs/dbraw/zinc/03/98/65/365039865.db2.gz VATOCWBEAABXRH-AWEZNQCLSA-N 0 0 315.417 2.496 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCC(=O)N(C)Cc2ccccc2)C1 ZINC000623464236 365040080 /nfs/dbraw/zinc/04/00/80/365040080.db2.gz RBNGTWGSSCAUAS-OAHLLOKOSA-N 0 0 315.417 2.253 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCC(=O)N2CCc3ccccc32)C1 ZINC000623545960 365072566 /nfs/dbraw/zinc/07/25/66/365072566.db2.gz JRYVTSRMNQJXFQ-CQSZACIVSA-N 0 0 313.401 2.183 10 30 DEEERN C=CCNC(=S)N/N=C/c1ccc(OCC)c(OCC)c1 ZINC000006790877 181389910 /nfs/dbraw/zinc/38/99/10/181389910.db2.gz QQLZVPQGVBYDQQ-GZTJUZNOSA-N 0 0 307.419 2.468 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCCCOCC2CCOCC2)C1 ZINC000623649633 365116498 /nfs/dbraw/zinc/11/64/98/365116498.db2.gz DBSGYKGMGQBDKT-HNNXBMFYSA-N 0 0 310.438 2.427 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2C[C@H](OCC)[C@]23CCCO3)C1 ZINC000623886052 365210187 /nfs/dbraw/zinc/21/01/87/365210187.db2.gz PWEGHBSAGMREMC-AIANPOQGSA-N 0 0 308.422 2.321 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2c3c(nn2C)CCCC3)C1 ZINC000624095385 365287481 /nfs/dbraw/zinc/28/74/81/365287481.db2.gz BPVHIVOBFFSVKW-ZDUSSCGKSA-N 0 0 302.422 2.407 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC000624215340 365337366 /nfs/dbraw/zinc/33/73/66/365337366.db2.gz FDDAPCNQCNQSPB-UHFFFAOYSA-N 0 0 316.467 2.103 10 30 DEEERN C=CCCC1(CNC(=O)NC[C@@H]2COCCN2C)CCCC1 ZINC000624339360 365386683 /nfs/dbraw/zinc/38/66/83/365386683.db2.gz OVPHEXKRUKBPKQ-OAHLLOKOSA-N 0 0 309.454 2.143 10 30 DEEERN C=CCOCCCNC(=O)N[C@@H](c1ccc(OC)nc1)C1CC1 ZINC000624369452 365398791 /nfs/dbraw/zinc/39/87/91/365398791.db2.gz FPFDRCKXFZACKG-MRXNPFEDSA-N 0 0 319.405 2.433 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC[C@H](NC(=O)N(C)C)C1 ZINC000624461729 365428804 /nfs/dbraw/zinc/42/88/04/365428804.db2.gz JJTICCQVIWEASN-ZDUSSCGKSA-N 0 0 310.442 2.034 10 30 DEEERN C=CC(C)(C)CCNC(=O)N(C)[C@@H](C)CS(=O)(=O)CC ZINC000624465925 365431302 /nfs/dbraw/zinc/43/13/02/365431302.db2.gz AEAJLXCGHBCMRH-LBPRGKRZSA-N 0 0 304.456 2.053 10 30 DEEERN C=CC(C)(C)CCNC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000624466103 365431380 /nfs/dbraw/zinc/43/13/80/365431380.db2.gz IHCKEHLXRITKMG-RYUDHWBXSA-N 0 0 304.456 2.052 10 30 DEEERN C=CCSc1ccccc1C(=O)NC[C@@H](O)[C@@H]1CCCO1 ZINC000628592935 366891615 /nfs/dbraw/zinc/89/16/15/366891615.db2.gz BCWIRBAMDADZHZ-KGLIPLIRSA-N 0 0 307.415 2.234 10 30 DEEERN C=CCOCC(=O)N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000629009739 367047423 /nfs/dbraw/zinc/04/74/23/367047423.db2.gz SHORNAMGQGBSDZ-UHFFFAOYSA-N 0 0 319.405 2.321 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CCSC[C@@H]2CCO)cc1 ZINC000450226029 241570466 /nfs/dbraw/zinc/57/04/66/241570466.db2.gz CSHJYUWZCPFCRJ-HNNXBMFYSA-N 0 0 321.442 2.120 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000629435305 367199044 /nfs/dbraw/zinc/19/90/44/367199044.db2.gz JXTLBNXTIVXERY-RDJZCZTQSA-N 0 0 317.433 2.001 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000450277930 241632606 /nfs/dbraw/zinc/63/26/06/241632606.db2.gz TWDFQOISSULARN-MCIONIFRSA-N 0 0 309.406 2.300 10 30 DEEERN N#Cc1cc(Br)cnc1N1CC(OCC(F)F)C1 ZINC000450372962 241758242 /nfs/dbraw/zinc/75/82/42/241758242.db2.gz RRTOLBSIHUWABP-UHFFFAOYSA-N 0 0 318.121 2.186 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cc(OC)cc(OC)c2C)C1=O ZINC000630520209 367703549 /nfs/dbraw/zinc/70/35/49/367703549.db2.gz XKRZIIHRUWHRLF-GFCCVEGCSA-N 0 0 304.346 2.403 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cccc(NC(=O)C3CC3)c2)C1=O ZINC000630503922 367693725 /nfs/dbraw/zinc/69/37/25/367693725.db2.gz ZRFFYFXOCUWMLN-AWEZNQCLSA-N 0 0 313.357 2.426 10 30 DEEERN N#CCc1ccc(S(=O)(=O)Nc2ccc(F)cc2N)cc1 ZINC000092130559 193165940 /nfs/dbraw/zinc/16/59/40/193165940.db2.gz VHZGBFQNABYWEY-UHFFFAOYSA-N 0 0 305.334 2.275 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](C)O[C@@H]2C)cc1 ZINC000630787047 367844983 /nfs/dbraw/zinc/84/49/83/367844983.db2.gz YFMFPSWIUFRZKT-LALPHHSUSA-N 0 0 302.374 2.354 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCCOc2ccc(OC)cc2)C1=O ZINC000630968248 367941676 /nfs/dbraw/zinc/94/16/76/367941676.db2.gz CSIYOYPEMSJDJL-OAHLLOKOSA-N 0 0 318.373 2.351 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCc2cc(OC)ccc2OC)C1=O ZINC000630969167 367942658 /nfs/dbraw/zinc/94/26/58/367942658.db2.gz ZGYXKQQCBBIRFF-CQSZACIVSA-N 0 0 318.373 2.133 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccc(OCC3CC3)nc2)C1=O ZINC000630972359 367944004 /nfs/dbraw/zinc/94/40/04/367944004.db2.gz VDBYVXWQDCJWBV-AWEZNQCLSA-N 0 0 315.373 2.257 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCc2nc3c(s2)CCCC3)C1=O ZINC000630972725 367944261 /nfs/dbraw/zinc/94/42/61/367944261.db2.gz NLLGPNGPKUCFBJ-LBPRGKRZSA-N 0 0 319.430 2.451 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H](COC)Cc2ccccc2)C1=O ZINC000630975346 367946367 /nfs/dbraw/zinc/94/63/67/367946367.db2.gz KWKHERZRJKWJHE-GJZGRUSLSA-N 0 0 302.374 2.131 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H]2CCc3cnn(C(C)C)c3C2)C1=O ZINC000630978570 367947994 /nfs/dbraw/zinc/94/79/94/367947994.db2.gz ZBKLMSSLBJVSOB-UONOGXRCSA-N 0 0 316.405 2.208 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H](C[C@@H](C)O)c2ccccc2)C1=O ZINC000630978856 367948775 /nfs/dbraw/zinc/94/87/75/367948775.db2.gz NDBAOYOGJXVRLU-BMFZPTHFSA-N 0 0 316.401 2.428 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@@]2(C)COc3ccccc3O2)C1=O ZINC000630985299 367950742 /nfs/dbraw/zinc/95/07/42/367950742.db2.gz GVYIRLKDCTYFFU-PXAZEXFGSA-N 0 0 316.357 2.103 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2CCN(c3ccccc3F)C2)C1=O ZINC000630985562 367950946 /nfs/dbraw/zinc/95/09/46/367950946.db2.gz XEOIVQNZIFPIAH-JSGCOSHPSA-N 0 0 317.364 2.291 10 30 DEEERN C=CCC[C@H]1NC(=O)N(Cc2cccc3c2CCOC3)C1=O ZINC000630993627 367956670 /nfs/dbraw/zinc/95/66/70/367956670.db2.gz NNIVBZOIHFAFDY-OAHLLOKOSA-N 0 0 300.358 2.146 10 30 DEEERN CC(=O)c1cccc(C#N)c1OCc1nsc(N(C)C)n1 ZINC000631028145 367976150 /nfs/dbraw/zinc/97/61/50/367976150.db2.gz JWTCCNJEKWWGQG-UHFFFAOYSA-N 0 0 302.359 2.257 10 30 DEEERN C=CCN1CC[C@@H](N(C)c2nc(C3CC3)nc3[nH]ccc32)C1=O ZINC000631262650 368110106 /nfs/dbraw/zinc/11/01/06/368110106.db2.gz JDHSRTBYIPXVCV-CYBMUJFWSA-N 0 0 311.389 2.058 10 30 DEEERN C=C1CC(C)(C(=O)NCc2c(C)nc3c(c(=O)[nH]n3C)c2C)C1 ZINC000631310845 368139210 /nfs/dbraw/zinc/13/92/10/368139210.db2.gz LXHWIHBTXUWLLS-UHFFFAOYSA-N 0 0 314.389 2.263 10 30 DEEERN C=C1CC(C)(C(=O)NCCc2cccc(C(=O)N(C)C)c2)C1 ZINC000631491262 368251952 /nfs/dbraw/zinc/25/19/52/368251952.db2.gz CTHHMLGAVDQXJP-UHFFFAOYSA-N 0 0 300.402 2.403 10 30 DEEERN CC[C@H](C#N)N1CCN(c2nc(Br)cs2)CC1 ZINC000093011211 193193578 /nfs/dbraw/zinc/19/35/78/193193578.db2.gz YAQXXZNTUZKPDM-SECBINFHSA-N 0 0 315.240 2.330 10 30 DEEERN CCc1nn(C)c(OC)c1CNC(=O)c1ccc(C#N)cc1C ZINC000093024462 193195931 /nfs/dbraw/zinc/19/59/31/193195931.db2.gz PNMJNCDJDKCZMH-UHFFFAOYSA-N 0 0 312.373 2.101 10 30 DEEERN Cc1cc(=O)[nH]c(S[C@@H]2CCC[C@@](C#N)(NC(C)C)C2)n1 ZINC000093746986 193300416 /nfs/dbraw/zinc/30/04/16/193300416.db2.gz POMTUTZDAFWOCV-IUODEOHRSA-N 0 0 306.435 2.373 10 30 DEEERN C=CCN(CC=C)C(=O)c1cnn2cc(Br)cnc12 ZINC000093900713 193326856 /nfs/dbraw/zinc/32/68/56/193326856.db2.gz AEWJXCIRYUYXHG-UHFFFAOYSA-N 0 0 321.178 2.306 10 30 DEEERN COc1ccccc1CNC(=O)c1csc(C#CCO)c1 ZINC000093973625 193332768 /nfs/dbraw/zinc/33/27/68/193332768.db2.gz ZFDPQIDVEFCEKO-UHFFFAOYSA-N 0 0 301.367 2.031 10 30 DEEERN COc1ccccc1N(C)C(=O)c1csc(C#CCO)c1 ZINC000093974852 193332911 /nfs/dbraw/zinc/33/29/11/193332911.db2.gz VYSFOJZELAWPCC-UHFFFAOYSA-N 0 0 301.367 2.377 10 30 DEEERN Cc1ncccc1C(=O)N(C)Cc1cc(C#CCO)cs1 ZINC000094649376 193390944 /nfs/dbraw/zinc/39/09/44/193390944.db2.gz KONPYRFBJCZGLL-UHFFFAOYSA-N 0 0 300.383 2.068 10 30 DEEERN C=CCN1C(=O)N=C(N)[C@@H]1c1cc(Cl)c2c(c1)OCCO2 ZINC000094516548 193376339 /nfs/dbraw/zinc/37/63/39/193376339.db2.gz AFJMGBISUIREBF-NSHDSACASA-N 0 0 307.737 2.131 10 30 DEEERN C#CCN1C(=O)N=C(N)[C@H]1c1ccc(Br)c(C)c1 ZINC000094516612 193376688 /nfs/dbraw/zinc/37/66/88/193376688.db2.gz WIOMKMNLSCNYCQ-LLVKDONJSA-N 0 0 306.163 2.225 10 30 DEEERN COc1ccc(C#CCNC(=O)c2c(C)nc3ccccn32)cc1 ZINC000096345290 193614466 /nfs/dbraw/zinc/61/44/66/193614466.db2.gz DKZIEKGQKYKSLA-UHFFFAOYSA-N 0 0 319.364 2.433 10 30 DEEERN C=C(C)Cn1c(N(C)CCOCC)nnc1[C@]1(C)CCCO1 ZINC000453466645 245155785 /nfs/dbraw/zinc/15/57/85/245155785.db2.gz PDEHBGDWZIFURA-INIZCTEOSA-N 0 0 308.426 2.353 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)CCCCO ZINC000453842255 245320835 /nfs/dbraw/zinc/32/08/35/245320835.db2.gz AXVYJWBJFXIDCV-CQSZACIVSA-N 0 0 318.417 2.411 10 30 DEEERN Cc1cc(S(N)(=O)=O)cc(NCc2ccc(C#N)s2)c1C ZINC000161099673 197464871 /nfs/dbraw/zinc/46/48/71/197464871.db2.gz YYPIGCHDUMXZMW-UHFFFAOYSA-N 0 0 321.427 2.496 10 30 DEEERN C=C(C(=O)OC)[C@@H](O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000019835384 182155039 /nfs/dbraw/zinc/15/50/39/182155039.db2.gz PRSDMGLAQBZBKM-SNVBAGLBSA-N 0 0 316.107 2.120 10 30 DEEERN C=C(C)CCNC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000454737762 246118818 /nfs/dbraw/zinc/11/88/18/246118818.db2.gz OVEULVCLUKTHCP-ZDUSSCGKSA-N 0 0 314.389 2.050 10 30 DEEERN C=C(C)CCNC(=O)NCCc1nc(C(=O)OCC)cs1 ZINC000454829988 246182918 /nfs/dbraw/zinc/18/29/18/246182918.db2.gz PPAQHRBWKGYXLH-UHFFFAOYSA-N 0 0 311.407 2.128 10 30 DEEERN Cc1cc(C#N)cc(NC(=O)N2CCSC[C@H]2CCO)c1 ZINC000456000980 246876311 /nfs/dbraw/zinc/87/63/11/246876311.db2.gz LRCVAOOZUNUJKK-CQSZACIVSA-N 0 0 305.403 2.198 10 30 DEEERN C=CCC[C@H](CO)NC(=O)NCCc1cccc(OCC)c1 ZINC000458591132 248387251 /nfs/dbraw/zinc/38/72/51/248387251.db2.gz YDQBAAPTUREWCD-OAHLLOKOSA-N 0 0 306.406 2.254 10 30 DEEERN C=C(CC)CNC(=O)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000459099527 248580251 /nfs/dbraw/zinc/58/02/51/248580251.db2.gz RCQIHEMJRHPDPS-RDJZCZTQSA-N 0 0 306.381 2.462 10 30 DEEERN C=CCCCS(=O)(=O)NC1(C(=O)Nc2ccccc2)CC1 ZINC000489616257 248847068 /nfs/dbraw/zinc/84/70/68/248847068.db2.gz JTCHUGMAEHCWKT-UHFFFAOYSA-N 0 0 308.403 2.043 10 30 DEEERN Cc1c(C(=O)Nc2ccccc2C#N)sc2ncn(C)c(=O)c12 ZINC000041303545 183184434 /nfs/dbraw/zinc/18/44/34/183184434.db2.gz POKRFLJUKJLCPR-UHFFFAOYSA-N 0 0 324.365 2.427 10 30 DEEERN CCCO[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000042425049 183268358 /nfs/dbraw/zinc/26/83/58/183268358.db2.gz LIRQHHCWUAKFHZ-CQSZACIVSA-N 0 0 308.403 2.138 10 30 DEEERN C[C@H](CN(C)C(=O)c1cccc(Cl)c1Cl)/C(N)=N/O ZINC000042459125 183272865 /nfs/dbraw/zinc/27/28/65/183272865.db2.gz VBLVTRXIUQVZOV-SSDOTTSWSA-N 0 0 304.177 2.448 10 30 DEEERN C[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(N)cc1C#N ZINC000042858795 183315247 /nfs/dbraw/zinc/31/52/47/183315247.db2.gz KSOBECUGFOQOGN-NWDGAFQWSA-N 0 0 307.419 2.245 10 30 DEEERN N#Cc1ccccc1CS(=O)(=O)Nc1ccc(N)cc1F ZINC000043473988 183365587 /nfs/dbraw/zinc/36/55/87/183365587.db2.gz ICXMJRVSOSBFPZ-UHFFFAOYSA-N 0 0 305.334 2.221 10 30 DEEERN CN(C(=O)c1ccc(C#CCCO)c(F)c1)[C@H]1CCSC1 ZINC000043581941 183373032 /nfs/dbraw/zinc/37/30/32/183373032.db2.gz CFBQTJVKFKNYJT-AWEZNQCLSA-N 0 0 307.390 2.137 10 30 DEEERN CCc1nnc(N2C[C@@H](COC)OC(C)(C)C2)c(C#N)c1CC ZINC000285085148 218284662 /nfs/dbraw/zinc/28/46/62/218284662.db2.gz PWRMZCMBAGYOPV-LBPRGKRZSA-N 0 0 318.421 2.103 10 30 DEEERN CCCCS(=O)(=O)N[C@@H](C)c1ccc(C#CCCO)cc1 ZINC000049590797 183744566 /nfs/dbraw/zinc/74/45/66/183744566.db2.gz UXEOREORFOHRSE-AWEZNQCLSA-N 0 0 309.431 2.201 10 30 DEEERN COc1ccc(CSc2cc(C)nn2C)cc1C#CCO ZINC000052311629 183857871 /nfs/dbraw/zinc/85/78/71/183857871.db2.gz VZMJBQNLOXQIDG-UHFFFAOYSA-N 0 0 302.399 2.373 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000273519280 210839048 /nfs/dbraw/zinc/83/90/48/210839048.db2.gz TYEKHPJBKBQWFC-JTQLQIEISA-N 0 0 320.336 2.246 10 30 DEEERN C=CC1CCN(C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)CC1 ZINC000110364940 194324514 /nfs/dbraw/zinc/32/45/14/194324514.db2.gz QFDULFOOJSSYJO-LBPRGKRZSA-N 0 0 312.369 2.096 10 30 DEEERN COCCN(CCC#N)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111008327 194381541 /nfs/dbraw/zinc/38/15/41/194381541.db2.gz RPKQTYDNWNOUKF-UHFFFAOYSA-N 0 0 311.725 2.250 10 30 DEEERN CN1CCc2ccc(NC(=O)Cc3cccc(C#N)c3)cc2C1=O ZINC000532376080 269694037 /nfs/dbraw/zinc/69/40/37/269694037.db2.gz OTPLAKVESWAXJQ-UHFFFAOYSA-N 0 0 319.364 2.368 10 30 DEEERN N#CCCN(CCC#N)CCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000059500543 184139206 /nfs/dbraw/zinc/13/92/06/184139206.db2.gz CPQNYDAHTUWAJM-UHFFFAOYSA-N 0 0 300.318 2.297 10 30 DEEERN N#Cc1ncccc1C[S@](=O)c1nc2ccc(N)cc2s1 ZINC000061664069 184182017 /nfs/dbraw/zinc/18/20/17/184182017.db2.gz CVMHSHXYUFXVGS-OAQYLSRUSA-N 0 0 314.395 2.453 10 30 DEEERN O=C(Nc1cc(C#CCCO)ccc1Cl)c1cnccn1 ZINC000061691777 184182800 /nfs/dbraw/zinc/18/28/00/184182800.db2.gz ABHZCFOSJKFAMM-UHFFFAOYSA-N 0 0 301.733 2.116 10 30 DEEERN CN(c1cccc(C#N)c1)S(=O)(=O)c1cc(N)ccc1F ZINC000061979719 184200086 /nfs/dbraw/zinc/20/00/86/184200086.db2.gz RKHYZFDLCXNOPO-UHFFFAOYSA-N 0 0 305.334 2.105 10 30 DEEERN N#Cc1ccccc1S(=O)(=O)N1CCC(=O)c2ccccc21 ZINC000062144402 184209077 /nfs/dbraw/zinc/20/90/77/184209077.db2.gz YXDARDTYOGFLLV-UHFFFAOYSA-N 0 0 312.350 2.340 10 30 DEEERN C=CCN(CC(=O)N(C)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063381134 184281203 /nfs/dbraw/zinc/28/12/03/184281203.db2.gz LRBVYRAMCYLQAG-UHFFFAOYSA-N 0 0 303.362 2.204 10 30 DEEERN CCN[C@](C)(C#N)CCSc1ccc(S(C)(=O)=O)cc1 ZINC000063131815 184272161 /nfs/dbraw/zinc/27/21/61/184272161.db2.gz WNJSQYICJMWBEU-AWEZNQCLSA-N 0 0 312.460 2.464 10 30 DEEERN C[C@H](CCO)C1(CNC(=O)Cc2cccc(C#N)c2)CCC1 ZINC000537209599 284986718 /nfs/dbraw/zinc/98/67/18/284986718.db2.gz ZXNRCQZYDXDZHM-CQSZACIVSA-N 0 0 300.402 2.406 10 30 DEEERN CN(Cc1ncnn1C)c1ccc(C#N)cc1Br ZINC000119782010 195035218 /nfs/dbraw/zinc/03/52/18/195035218.db2.gz FCWAEFUAZWPLDY-UHFFFAOYSA-N 0 0 306.167 2.086 10 30 DEEERN C=C(C)[C@H](CC(=O)Nc1ccc2c(c1)OCC(=O)N2)OCC ZINC000270051615 208106564 /nfs/dbraw/zinc/10/65/64/208106564.db2.gz RKVUOVOOVIMVGO-ZDUSSCGKSA-N 0 0 304.346 2.327 10 30 DEEERN C#CCn1ncc(NCCC2CCC2)c(Br)c1=O ZINC000158643002 197291032 /nfs/dbraw/zinc/29/10/32/197291032.db2.gz WWHTXKYUFMYPKO-UHFFFAOYSA-N 0 0 310.195 2.241 10 30 DEEERN Cc1noc(C2(C)CCN(C(=O)Cc3cccc(C#N)c3)CC2)n1 ZINC000540965704 285147120 /nfs/dbraw/zinc/14/71/20/285147120.db2.gz XWRTYEBEMYJSAA-UHFFFAOYSA-N 0 0 324.384 2.373 10 30 DEEERN CC[C@@H]1CN(C(=O)c2ccccc2C#CCCO)CCS1 ZINC000157975101 197232097 /nfs/dbraw/zinc/23/20/97/197232097.db2.gz AFUIBSPQXQAXBM-OAHLLOKOSA-N 0 0 303.427 2.388 10 30 DEEERN C#CC[C@@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000157388234 197183953 /nfs/dbraw/zinc/18/39/53/197183953.db2.gz FXILIUOIMJFJBU-MRVPVSSYSA-N 0 0 311.135 2.499 10 30 DEEERN CN(c1ccccc1C#N)c1nc(N)ncc1Br ZINC000157090755 197160857 /nfs/dbraw/zinc/16/08/57/197160857.db2.gz RNCBPECPGVMEJN-UHFFFAOYSA-N 0 0 304.151 2.461 10 30 DEEERN Cc1cc(Br)cn(Cc2ccnc(C#N)c2)c1=O ZINC000156959162 197152336 /nfs/dbraw/zinc/15/23/36/197152336.db2.gz BDNKAFLJKCFYEV-UHFFFAOYSA-N 0 0 304.147 2.234 10 30 DEEERN COC(=O)[C@@]12CCC[C@H]1CN(c1ccc([N+](=O)[O-])cc1C#N)C2 ZINC000302129799 533154159 /nfs/dbraw/zinc/15/41/59/533154159.db2.gz BOYNHSRURRHHHI-BLLLJJGKSA-N 0 0 315.329 2.246 10 30 DEEERN N#Cc1ncn(CC(=O)c2ccccc2Br)c1C#N ZINC000156222743 197096676 /nfs/dbraw/zinc/09/66/76/197096676.db2.gz FYAXCUMGOJZYEL-UHFFFAOYSA-N 0 0 315.130 2.272 10 30 DEEERN C[C@@H](C#N)Oc1ccc(CN2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000371332644 533162610 /nfs/dbraw/zinc/16/26/10/533162610.db2.gz ALDZHLAPJKSOLT-YOEHRIQHSA-N 0 0 310.401 2.150 10 30 DEEERN CC(=O)N(C)c1ccccc1NC(=O)c1ncc(C#N)cc1C ZINC000559908669 291919440 /nfs/dbraw/zinc/91/94/40/291919440.db2.gz MXLLUAHDUDYCPQ-UHFFFAOYSA-N 0 0 308.341 2.497 10 30 DEEERN N#Cc1ccc(CN2CCN(C[C@H](O)c3ccccc3)CC2)o1 ZINC000120546235 195188010 /nfs/dbraw/zinc/18/80/10/195188010.db2.gz GFTMMCMTFCUWIY-SFHVURJKSA-N 0 0 311.385 2.002 10 30 DEEERN Cc1cc(N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c(C#N)cn1 ZINC000521395881 257240019 /nfs/dbraw/zinc/24/00/19/257240019.db2.gz XACIXLWXSOKLRE-ZQIUZPCESA-N 0 0 301.390 2.425 10 30 DEEERN COC(=O)c1ccc(Cn2nc(C#N)c3c2CCCC3=O)cc1 ZINC000074522194 184992865 /nfs/dbraw/zinc/99/28/65/184992865.db2.gz MOVCMFOIPGLYII-UHFFFAOYSA-N 0 0 309.325 2.109 10 30 DEEERN N#Cc1cccc(NC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)c1 ZINC000121794707 195349468 /nfs/dbraw/zinc/34/94/68/195349468.db2.gz VZCYNGXVAJNZDO-UHFFFAOYSA-N 0 0 323.396 2.438 10 30 DEEERN N#Cc1cccc(Cc2nc([C@@H]3CC(=O)N(C4CC4)C3)no2)c1 ZINC000544962670 285382999 /nfs/dbraw/zinc/38/29/99/285382999.db2.gz FZRDSMVXQUESFJ-CYBMUJFWSA-N 0 0 308.341 2.010 10 30 DEEERN COC(=O)CNC(=O)c1ccc(NCC#Cc2ccccc2)cc1 ZINC000190319854 533535212 /nfs/dbraw/zinc/53/52/12/533535212.db2.gz OYPHXCOZRUCYEB-UHFFFAOYSA-N 0 0 322.364 2.053 10 30 DEEERN Cn1nc([C@@H]2CCCO2)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000562500950 291988615 /nfs/dbraw/zinc/98/86/15/291988615.db2.gz SFWCTFCJABEQKT-HNNXBMFYSA-N 0 0 310.357 2.324 10 30 DEEERN N#Cc1cnccc1NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000545947463 285461124 /nfs/dbraw/zinc/46/11/24/285461124.db2.gz CYEAQAYNUDPCLW-QGZVFWFLSA-N 0 0 322.368 2.105 10 30 DEEERN N#Cc1cnccc1N1CCN(CCOc2ccccc2)CC1 ZINC000546653509 285509572 /nfs/dbraw/zinc/50/95/72/285509572.db2.gz HBWDZTXKSVJRBJ-UHFFFAOYSA-N 0 0 308.385 2.154 10 30 DEEERN CCc1onc(C)c1C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000195350541 132546710 /nfs/dbraw/zinc/54/67/10/132546710.db2.gz ZMGZZKMILBIFNJ-UHFFFAOYSA-N 0 0 324.384 2.380 10 30 DEEERN COC[C@@](C)(NC(=O)COc1ccc(C#N)cc1)C(F)(F)F ZINC000362203028 133216581 /nfs/dbraw/zinc/21/65/81/133216581.db2.gz JBWMAYSOFBOLCY-CYBMUJFWSA-N 0 0 316.279 2.021 10 30 DEEERN N#Cc1cnc(N[C@@H]2CCCN(c3ccccc3C#N)C2)cn1 ZINC000373516336 133393947 /nfs/dbraw/zinc/39/39/47/133393947.db2.gz OTVLEUWPOVTIAV-CQSZACIVSA-N 0 0 304.357 2.301 10 30 DEEERN CC1(C)CN(C(=O)c2sccc2C#N)C[C@]2(CCOC2)O1 ZINC000373625908 133398331 /nfs/dbraw/zinc/39/83/31/133398331.db2.gz BSIMHBQQEZOTAK-HNNXBMFYSA-N 0 0 306.387 2.030 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc2nncn2c1 ZINC000179479564 144877251 /nfs/dbraw/zinc/87/72/51/144877251.db2.gz GWSAIBPNMZNCIK-LLVKDONJSA-N 0 0 307.313 2.007 10 30 DEEERN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1ccnc1C#N ZINC000179872262 144882177 /nfs/dbraw/zinc/88/21/77/144882177.db2.gz RZFKLVKMALUMDV-SNVBAGLBSA-N 0 0 304.300 2.253 10 30 DEEERN CC[C@H](C)NC(=O)CCNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188464426 145012883 /nfs/dbraw/zinc/01/28/83/145012883.db2.gz LPYHNZJVSZZQCW-ZDUSSCGKSA-N 0 0 313.401 2.011 10 30 DEEERN CC[C@@H](C)NC(=O)CCNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188464408 145012914 /nfs/dbraw/zinc/01/29/14/145012914.db2.gz LPYHNZJVSZZQCW-CYBMUJFWSA-N 0 0 313.401 2.011 10 30 DEEERN COC(=O)[C@@H]1CCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000189557132 145029929 /nfs/dbraw/zinc/02/99/29/145029929.db2.gz BMUNOPXTKHLSFJ-CQSZACIVSA-N 0 0 312.369 2.001 10 30 DEEERN CCCc1noc(CS(=O)(=O)Cc2ccc(C#N)c(F)c2)n1 ZINC000190901677 145049724 /nfs/dbraw/zinc/04/97/24/145049724.db2.gz YSHVBROQHJNQCW-UHFFFAOYSA-N 0 0 323.349 2.148 10 30 DEEERN CCCN(C(=O)c1cc(C#N)cn1C)[C@@H](CC)C(=O)OCC ZINC000190935975 145050359 /nfs/dbraw/zinc/05/03/59/145050359.db2.gz KNXQVDBKLCPZIZ-ZDUSSCGKSA-N 0 0 305.378 2.091 10 30 DEEERN CCCN(C(=O)c1cc(C#N)cn1C)[C@H](CC)C(=O)OCC ZINC000190935989 145050669 /nfs/dbraw/zinc/05/06/69/145050669.db2.gz KNXQVDBKLCPZIZ-CYBMUJFWSA-N 0 0 305.378 2.091 10 30 DEEERN C[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccc(C(C)(C)C)cc1 ZINC000192467991 145074140 /nfs/dbraw/zinc/07/41/40/145074140.db2.gz IXGBZTNNXMUQCF-GFCCVEGCSA-N 0 0 311.389 2.325 10 30 DEEERN Cc1nnc(NCc2cccnc2-n2ccnc2)c(C#N)c1C ZINC000192805882 145079580 /nfs/dbraw/zinc/07/95/80/145079580.db2.gz COXXUHKTQGZFSW-UHFFFAOYSA-N 0 0 305.345 2.158 10 30 DEEERN Cc1nncn1-c1cccc(NC(=O)c2ccnc(C#N)c2)c1 ZINC000193700534 145088494 /nfs/dbraw/zinc/08/84/94/145088494.db2.gz NHAGAJBAIDCZRE-UHFFFAOYSA-N 0 0 304.313 2.095 10 30 DEEERN C[C@H](NC(=O)c1ccnc(C#N)c1)c1ccc(-n2ccnn2)cc1 ZINC000193684539 145089042 /nfs/dbraw/zinc/08/90/42/145089042.db2.gz PSPXFBAKDLNNQE-LBPRGKRZSA-N 0 0 318.340 2.025 10 30 DEEERN Cc1cccc(S(=O)(=O)N2CC[C@H]3OCCC[C@H]3C2)c1C#N ZINC000246299254 145098188 /nfs/dbraw/zinc/09/81/88/145098188.db2.gz PNMHEEPJHITGCM-DZGCQCFKSA-N 0 0 320.414 2.056 10 30 DEEERN Cc1oc(NC(=O)CN2CC[C@@H]3OCCC[C@H]3C2)c(C#N)c1C ZINC000246453913 145103584 /nfs/dbraw/zinc/10/35/84/145103584.db2.gz BYPIMKIRQIRLRL-ZFWWWQNUSA-N 0 0 317.389 2.208 10 30 DEEERN COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246518722 145105403 /nfs/dbraw/zinc/10/54/03/145105403.db2.gz FRZDBECPQPHPLO-IKGGRYGDSA-N 0 0 314.385 2.273 10 30 DEEERN N#Cc1ccc(C(=O)NCc2ccnc(OC(F)F)c2)cc1O ZINC000356977205 147014185 /nfs/dbraw/zinc/01/41/85/147014185.db2.gz CJXADYCEGFMMFF-UHFFFAOYSA-N 0 0 319.267 2.190 10 30 DEEERN Cc1nc(NC(=O)c2sccc2C#N)n(-c2ccccc2)n1 ZINC000359087696 147259312 /nfs/dbraw/zinc/25/93/12/147259312.db2.gz NONWEJYMYJOFRW-UHFFFAOYSA-N 0 0 309.354 2.183 10 30 DEEERN N#Cc1cnc(C(=O)NCc2ccc3cc[nH]c3n2)c(Cl)c1 ZINC000359415149 147324321 /nfs/dbraw/zinc/32/43/21/147324321.db2.gz ITIIQXCTEDFAHF-UHFFFAOYSA-N 0 0 311.732 2.413 10 30 DEEERN Cc1cc(C#N)nc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1 ZINC000367333705 147744599 /nfs/dbraw/zinc/74/45/99/147744599.db2.gz UWZRCWFQTKCWSV-UHFFFAOYSA-N 0 0 322.368 2.462 10 30 DEEERN Cc1cc(C)c(C#N)c(N[C@H]2CCN(C(=O)c3ccncc3)C2)n1 ZINC000370539434 148028633 /nfs/dbraw/zinc/02/86/33/148028633.db2.gz MCERHWBCBUSOIL-HNNXBMFYSA-N 0 0 321.384 2.292 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N(C)CC3CCC3)cc2C1=O ZINC000110467885 401690972 /nfs/dbraw/zinc/69/09/72/401690972.db2.gz OJXNQROVCPAALJ-UHFFFAOYSA-N 0 0 312.369 2.341 10 30 DEEERN COc1ccc(CNC(=O)CNc2ccc(F)c(C#N)c2)cc1 ZINC000076942334 401800735 /nfs/dbraw/zinc/80/07/35/401800735.db2.gz OBCHNDNDGPQTMC-UHFFFAOYSA-N 0 0 313.332 2.434 10 30 DEEERN C=CCCCN(C)C(=O)CCc1c(C)nc(SC)[nH]c1=O ZINC000076489322 401796699 /nfs/dbraw/zinc/79/66/99/401796699.db2.gz FDBDFWKBGNYYRY-UHFFFAOYSA-N 0 0 309.435 2.157 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000077862379 401835226 /nfs/dbraw/zinc/83/52/26/401835226.db2.gz DAHNIDKLEWXEHY-UHFFFAOYSA-N 0 0 303.406 2.424 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000077861949 401835251 /nfs/dbraw/zinc/83/52/51/401835251.db2.gz BXDLJVDQJHSICG-UHFFFAOYSA-N 0 0 318.373 2.145 10 30 DEEERN COCc1csc([N-]S(=O)(=O)c2cc(C#N)ccc2C)n1 ZINC000115928073 401838973 /nfs/dbraw/zinc/83/89/73/401838973.db2.gz CYSDJZQCWRSZDG-UHFFFAOYSA-N 0 0 323.399 2.270 10 30 DEEERN N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116576991 401855331 /nfs/dbraw/zinc/85/53/31/401855331.db2.gz XARQRDKMVTZANL-CQSZACIVSA-N 0 0 309.325 2.453 10 30 DEEERN C=CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000116852190 401861211 /nfs/dbraw/zinc/86/12/11/401861211.db2.gz QMKVDDHQTDRANS-GOEBONIOSA-N 0 0 300.402 2.158 10 30 DEEERN COc1cccc(N2CCC[C@@H](NC(=O)CSCC#N)C2)c1 ZINC000117178645 401869265 /nfs/dbraw/zinc/86/92/65/401869265.db2.gz GLOJGKYIWWXFOE-CYBMUJFWSA-N 0 0 319.430 2.037 10 30 DEEERN COC(=O)c1cc(C)ccc1S(=O)(=O)OCC(F)(F)F ZINC000133792837 401894604 /nfs/dbraw/zinc/89/46/04/401894604.db2.gz SXCUGAYOCHNWLI-UHFFFAOYSA-N 0 0 312.265 2.049 10 30 DEEERN N#CCCN(Cc1cccnc1)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134223280 401900658 /nfs/dbraw/zinc/90/06/58/401900658.db2.gz OYZNRCWQTOYNJX-CQSZACIVSA-N 0 0 309.373 2.167 10 30 DEEERN N#CCCN(Cc1ccccn1)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134275581 401901385 /nfs/dbraw/zinc/90/13/85/401901385.db2.gz PUXUIJDGWTUKOW-CQSZACIVSA-N 0 0 309.373 2.167 10 30 DEEERN CCOC(=O)CC[C@@H](C)NC(=O)NCc1ccc(C#N)cc1F ZINC000089896802 401971319 /nfs/dbraw/zinc/97/13/19/401971319.db2.gz NSHHNNVHVRSQRG-LLVKDONJSA-N 0 0 321.352 2.228 10 30 DEEERN Cc1ccn(Cc2ccn(-c3ccc(F)cc3)n2)c(=O)c1C#N ZINC000137609955 401985250 /nfs/dbraw/zinc/98/52/50/401985250.db2.gz BBSLVWFFNJZNND-UHFFFAOYSA-N 0 0 308.316 2.402 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000135550721 401944354 /nfs/dbraw/zinc/94/43/54/401944354.db2.gz XDYSBXWTHVKLHM-XJKSGUPXSA-N 0 0 320.414 2.053 10 30 DEEERN CCC[C@H]1CN(C(=O)[C@H](C)Oc2ccccc2C#N)CCO1 ZINC000089469182 401948292 /nfs/dbraw/zinc/94/82/92/401948292.db2.gz POFXFFJKSUUENI-ZFWWWQNUSA-N 0 0 302.374 2.353 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(N(C)C)n1 ZINC000121083611 402013628 /nfs/dbraw/zinc/01/36/28/402013628.db2.gz VPXNKLDDRYAVAT-LBPRGKRZSA-N 0 0 310.357 2.425 10 30 DEEERN C=CCCS(=O)(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000121088062 402014763 /nfs/dbraw/zinc/01/47/63/402014763.db2.gz YHSHOMOTHOKMDG-ZDUSSCGKSA-N 0 0 305.403 2.429 10 30 DEEERN C=C(C)COCCNC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000151528686 402041544 /nfs/dbraw/zinc/04/15/44/402041544.db2.gz YVJXRUDQEAVGSJ-HNNXBMFYSA-N 0 0 320.437 2.476 10 30 DEEERN C=CCCCCCN(C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000151679040 402050235 /nfs/dbraw/zinc/05/02/35/402050235.db2.gz XMZJIXHEIMHYBR-KBPBESRZSA-N 0 0 304.456 2.019 10 30 DEEERN C=CCCS(=O)(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000122627855 402087893 /nfs/dbraw/zinc/08/78/93/402087893.db2.gz NZHLPAKBRZOCMD-HNNXBMFYSA-N 0 0 313.394 2.413 10 30 DEEERN C=CCN(CC(=O)NCC(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063297763 402112034 /nfs/dbraw/zinc/11/20/34/402112034.db2.gz XQQDZJZEXMHKQX-UHFFFAOYSA-N 0 0 305.378 2.355 10 30 DEEERN COc1ccc(COc2ccc(OCC(N)=O)cc2)cc1C#N ZINC000153365393 402141011 /nfs/dbraw/zinc/14/10/11/402141011.db2.gz FSPNCODEAGKBNI-UHFFFAOYSA-N 0 0 312.325 2.010 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000123661114 402140295 /nfs/dbraw/zinc/14/02/95/402140295.db2.gz JPSQATDIOLBQOT-OAHLLOKOSA-N 0 0 321.384 2.056 10 30 DEEERN N#CC1(NC(=O)C[C@H]2Sc3ccccc3NC2=O)CCCC1 ZINC000124748841 402195282 /nfs/dbraw/zinc/19/52/82/402195282.db2.gz ZROQYWVFGKIFEW-CYBMUJFWSA-N 0 0 315.398 2.442 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)C[C@H]1CCCOC1 ZINC000107655395 402237208 /nfs/dbraw/zinc/23/72/08/402237208.db2.gz HBWGWCVOZBXBCK-UONOGXRCSA-N 0 0 302.374 2.211 10 30 DEEERN C=CCCCN(C)C(=O)NCC(=O)N1CCc2ccccc21 ZINC000125556713 402238709 /nfs/dbraw/zinc/23/87/09/402238709.db2.gz GNOSQIUUVZHLQK-UHFFFAOYSA-N 0 0 301.390 2.183 10 30 DEEERN COc1ccc(CCC(=O)N[C@H](C#N)C2CC2)c(OC)c1OC ZINC000108829119 402262192 /nfs/dbraw/zinc/26/21/92/402262192.db2.gz SQSBQOXLRURUSS-CYBMUJFWSA-N 0 0 318.373 2.063 10 30 DEEERN CC(=O)CCc1ccc(OCCC(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000108834349 402262475 /nfs/dbraw/zinc/26/24/75/402262475.db2.gz PQPOKQPSGQGMAI-KRWDZBQOSA-N 0 0 314.385 2.395 10 30 DEEERN CC(=O)c1cccc(OCCCC(=O)N[C@@H](C#N)C2CC2)c1 ZINC000108836584 402262671 /nfs/dbraw/zinc/26/26/71/402262671.db2.gz AWLLPZBZDJQLCG-INIZCTEOSA-N 0 0 300.358 2.467 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)CN(C)CCc1ccccc1OC ZINC000104708721 402204571 /nfs/dbraw/zinc/20/45/71/402204571.db2.gz UDWIKMUFRGGPJR-HNNXBMFYSA-N 0 0 317.433 2.178 10 30 DEEERN C=CCN(CCN1CCCC1=O)Cc1cccc([N+](=O)[O-])c1 ZINC000068825617 402206496 /nfs/dbraw/zinc/20/64/96/402206496.db2.gz UOYXWHYFMNYQSD-UHFFFAOYSA-N 0 0 303.362 2.205 10 30 DEEERN C[C@@H](NS(=O)(=O)CCCCC#N)c1ccc2c(c1)OCO2 ZINC000068875542 402207798 /nfs/dbraw/zinc/20/77/98/402207798.db2.gz OSWZSHOBLXBPKM-LLVKDONJSA-N 0 0 310.375 2.090 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1 ZINC000184565594 402276585 /nfs/dbraw/zinc/27/65/85/402276585.db2.gz PKXCBGSAMSEZBQ-IUODEOHRSA-N 0 0 319.405 2.273 10 30 DEEERN CC(C)C[C@H](CCO)CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000176290082 402297585 /nfs/dbraw/zinc/29/75/85/402297585.db2.gz UHOIHNNEPLCHSD-GJZGRUSLSA-N 0 0 318.417 2.486 10 30 DEEERN N#CCOc1ccc(CNC(=O)[C@H]2CCCc3n[nH]cc32)cc1 ZINC000176558411 402319760 /nfs/dbraw/zinc/31/97/60/402319760.db2.gz OJNSRUIQRWAHCX-AWEZNQCLSA-N 0 0 310.357 2.048 10 30 DEEERN C=CCN(CC=C)C(=O)N[C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000185690914 402369615 /nfs/dbraw/zinc/36/96/15/402369615.db2.gz QFTOWINHHUCZNL-CABCVRRESA-N 0 0 308.422 2.344 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC000185765842 402374603 /nfs/dbraw/zinc/37/46/03/402374603.db2.gz NNCWWXQRGLEDLC-GFCCVEGCSA-N 0 0 310.781 2.191 10 30 DEEERN COc1cc(F)c(NC(=O)c2cc(C#N)cn2C)cc1OC ZINC000177208462 402381334 /nfs/dbraw/zinc/38/13/34/402381334.db2.gz HLCLXZPGUXVQHL-UHFFFAOYSA-N 0 0 303.293 2.305 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cn(C)nc1-c1ccccc1Cl ZINC000185850142 402382613 /nfs/dbraw/zinc/38/26/13/402382613.db2.gz YTZUHTSFAFVUEV-LLVKDONJSA-N 0 0 319.792 2.407 10 30 DEEERN C[C@H]1CCC[C@H](CCNS(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000227119083 402330589 /nfs/dbraw/zinc/33/05/89/402330589.db2.gz QMQIRNZJHMYSJB-QWHCGFSZSA-N 0 0 307.419 2.448 10 30 DEEERN N#Cc1ccc(OCc2cccc(C(=O)NC3(CO)CC3)c2)cc1 ZINC000160204599 402337934 /nfs/dbraw/zinc/33/79/34/402337934.db2.gz MZJYREZSMJOIAU-UHFFFAOYSA-N 0 0 322.364 2.392 10 30 DEEERN N#C[C@H](NC(=O)[C@H]1CCCCN1C(=O)c1cccs1)C1CC1 ZINC000161856116 402401249 /nfs/dbraw/zinc/40/12/49/402401249.db2.gz LFUWUTARFIZAMZ-QWHCGFSZSA-N 0 0 317.414 2.161 10 30 DEEERN C[C@@H](CNC(=O)c1cc(C#N)cn1C)Oc1ccccc1F ZINC000177475187 402406830 /nfs/dbraw/zinc/40/68/30/402406830.db2.gz UZNRIKHYZFYOMN-NSHDSACASA-N 0 0 301.321 2.233 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1n[nH]c(-c2ccccn2)n1 ZINC000162574957 402424959 /nfs/dbraw/zinc/42/49/59/402424959.db2.gz HMTFHGVTNQDQHF-UHFFFAOYSA-N 0 0 304.313 2.299 10 30 DEEERN C=CCCCCNC(=O)C(=O)NCc1ccn(C2CCCC2)n1 ZINC000344998145 404491497 /nfs/dbraw/zinc/49/14/97/404491497.db2.gz QIDPURWSUFKPLM-UHFFFAOYSA-N 0 0 318.421 2.087 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C[C@H](C)CS(C)(=O)=O ZINC000163182935 402443796 /nfs/dbraw/zinc/44/37/96/402443796.db2.gz OKNOUZCRNHRNFD-AWEZNQCLSA-N 0 0 306.431 2.227 10 30 DEEERN CNC(=O)c1ccc(CN(C)C(=O)c2ccc(C#N)cc2C)cc1 ZINC000178558782 402511591 /nfs/dbraw/zinc/51/15/91/402511591.db2.gz ZBYQUNANFYHSIE-UHFFFAOYSA-N 0 0 321.380 2.499 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000178563466 402512017 /nfs/dbraw/zinc/51/20/17/402512017.db2.gz NKEFKVPJGDDTRU-UHFFFAOYSA-N 0 0 304.313 2.095 10 30 DEEERN CCO[C@H]1C[C@H](N(C)C(=O)c2cc(C#N)cn2C)C12CCC2 ZINC000178112638 402461865 /nfs/dbraw/zinc/46/18/65/402461865.db2.gz HZOOZMVMIHBBGZ-GJZGRUSLSA-N 0 0 301.390 2.316 10 30 DEEERN CCC1(CC)CN(C(=O)c2ccc(C#N)c(C)n2)CC[S@@]1=O ZINC000186803884 402465088 /nfs/dbraw/zinc/46/50/88/402465088.db2.gz GWVZNZWVWYCJEC-QFIPXVFZSA-N 0 0 319.430 2.025 10 30 DEEERN CC#CCCn1ncc(Br)c(Br)c1=O ZINC000164966893 402471118 /nfs/dbraw/zinc/47/11/18/402471118.db2.gz HFDNQIBMBGEMHB-UHFFFAOYSA-N 0 0 319.984 2.182 10 30 DEEERN N#CCCCCNC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186989725 402476695 /nfs/dbraw/zinc/47/66/95/402476695.db2.gz XOAMUKULSOCOIH-KBPBESRZSA-N 0 0 307.419 2.159 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000187307942 402492963 /nfs/dbraw/zinc/49/29/63/402492963.db2.gz XBKVBHDXEVTLPS-JSGCOSHPSA-N 0 0 302.374 2.399 10 30 DEEERN CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1cc(C#N)cn1C ZINC000178819039 402543206 /nfs/dbraw/zinc/54/32/06/402543206.db2.gz GVUXTEZUZOEUPW-MRXNPFEDSA-N 0 0 311.385 2.310 10 30 DEEERN N#CCCCCNC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000179028763 402566222 /nfs/dbraw/zinc/56/62/22/402566222.db2.gz GEFYJHSAESNONA-DOMZBBRYSA-N 0 0 323.343 2.476 10 30 DEEERN COc1ccccc1N1CCC(Nc2ccc(C#N)nn2)CC1 ZINC000179288657 402584114 /nfs/dbraw/zinc/58/41/14/402584114.db2.gz GCXSWOFDWGRNNC-UHFFFAOYSA-N 0 0 309.373 2.438 10 30 DEEERN COC(=O)[C@@H]1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000180237513 402610934 /nfs/dbraw/zinc/61/09/34/402610934.db2.gz CMEALVFRINAZAX-CQSZACIVSA-N 0 0 312.369 2.267 10 30 DEEERN N#CC1(c2ccc(C(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)cc2)CC1 ZINC000180535953 402619609 /nfs/dbraw/zinc/61/96/09/402619609.db2.gz GDXHUANFNJQSTD-HOTGVXAUSA-N 0 0 323.396 2.125 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cc(C(=O)OC)oc1CC ZINC000180766844 402625193 /nfs/dbraw/zinc/62/51/93/402625193.db2.gz XGSVVFMSHINGBH-UHFFFAOYSA-N 0 0 315.391 2.215 10 30 DEEERN N#CCCCCNC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000172030930 402637673 /nfs/dbraw/zinc/63/76/73/402637673.db2.gz RPKANZZHMRASLU-OAHLLOKOSA-N 0 0 314.389 2.175 10 30 DEEERN N#Cc1ccc(OCCNC(=O)CCOCC(F)(F)F)cc1 ZINC000173881605 402717115 /nfs/dbraw/zinc/71/71/15/402717115.db2.gz FLWVMFGFRKEZSG-UHFFFAOYSA-N 0 0 316.279 2.022 10 30 DEEERN N#CCc1cccc(C(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000173889389 402717759 /nfs/dbraw/zinc/71/77/59/402717759.db2.gz ZMMZBVYXSHMMEE-UHFFFAOYSA-N 0 0 305.337 2.433 10 30 DEEERN CCc1ccc(S(=O)(=O)NN=Cc2ccccc2O)cc1 ZINC000254795885 402671978 /nfs/dbraw/zinc/67/19/78/402671978.db2.gz RKGWFBAOQVFNRJ-UHFFFAOYSA-N 0 0 304.371 2.267 10 30 DEEERN CCn1cc([C@H]2CN(Cc3ccc(C#N)s3)CCO2)cn1 ZINC000191714664 402687722 /nfs/dbraw/zinc/68/77/22/402687722.db2.gz FSNKLWKTKKVROR-OAHLLOKOSA-N 0 0 302.403 2.410 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000182537535 402697753 /nfs/dbraw/zinc/69/77/53/402697753.db2.gz XHVSPGURYGYXQL-OAHLLOKOSA-N 0 0 316.405 2.185 10 30 DEEERN N#CCSCC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174090856 402726202 /nfs/dbraw/zinc/72/62/02/402726202.db2.gz WOKVYSXZHUGHPX-UHFFFAOYSA-N 0 0 307.394 2.485 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000183065488 402736208 /nfs/dbraw/zinc/73/62/08/402736208.db2.gz WXKPTXSQDHQTTJ-MRXNPFEDSA-N 0 0 313.401 2.462 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000183108954 402739647 /nfs/dbraw/zinc/73/96/47/402739647.db2.gz BJLABQICMLZORY-OAHLLOKOSA-N 0 0 305.422 2.269 10 30 DEEERN Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccnc(C#N)c1 ZINC000192639153 402741875 /nfs/dbraw/zinc/74/18/75/402741875.db2.gz RSZNNDWZBSPDBG-UHFFFAOYSA-N 0 0 322.368 2.351 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000183435620 402767043 /nfs/dbraw/zinc/76/70/43/402767043.db2.gz AAZXOSQREPBCGM-VIFPVBQESA-N 0 0 312.753 2.170 10 30 DEEERN CCOCCCCNC(=O)NCCOc1ccc(C#N)cc1 ZINC000175218115 402789443 /nfs/dbraw/zinc/78/94/43/402789443.db2.gz MCYYEISDDLNUKI-UHFFFAOYSA-N 0 0 305.378 2.053 10 30 DEEERN Cc1ccc(CC(=O)Nc2cnn(-c3ncccc3C#N)c2)cn1 ZINC000183695951 402790007 /nfs/dbraw/zinc/79/00/07/402790007.db2.gz RKQPBQDZWOPXQJ-UHFFFAOYSA-N 0 0 318.340 2.024 10 30 DEEERN CC[C@@H](SC)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183698958 402790070 /nfs/dbraw/zinc/79/00/70/402790070.db2.gz VJZVXAAOAIWMLH-GFCCVEGCSA-N 0 0 301.375 2.219 10 30 DEEERN C=CCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cnn(C)c1 ZINC000184023759 402812574 /nfs/dbraw/zinc/81/25/74/402812574.db2.gz YXBWKPIBNBYGNU-CQSZACIVSA-N 0 0 306.410 2.200 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000184107995 402818931 /nfs/dbraw/zinc/81/89/31/402818931.db2.gz UWQRVPKPGGQVIS-WCQYABFASA-N 0 0 308.426 2.244 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000184218282 402827698 /nfs/dbraw/zinc/82/76/98/402827698.db2.gz LHDVGOZNOASHDW-NWDGAFQWSA-N 0 0 310.419 2.114 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000184261643 402830671 /nfs/dbraw/zinc/83/06/71/402830671.db2.gz VCUVLLXGUXBQPI-AEFFLSMTSA-N 0 0 316.445 2.467 10 30 DEEERN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCC(C#N)CC2)C1 ZINC000175793485 402833106 /nfs/dbraw/zinc/83/31/06/402833106.db2.gz CKRARLFCXWWELQ-KGLIPLIRSA-N 0 0 321.421 2.442 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@H](CC)Oc1ccccc1F ZINC000183651982 402785318 /nfs/dbraw/zinc/78/53/18/402785318.db2.gz FOAOJFXRCZXKDR-OLZOCXBDSA-N 0 0 310.369 2.219 10 30 DEEERN Cc1c(Cl)cccc1S(=O)(=O)N1CCSC[C@H]1C#N ZINC000271603275 402881450 /nfs/dbraw/zinc/88/14/50/402881450.db2.gz BACPHDLUUOOSLT-SNVBAGLBSA-N 0 0 316.835 2.278 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(C(C)=O)c(C)n1 ZINC000280007897 402966108 /nfs/dbraw/zinc/96/61/08/402966108.db2.gz XAZXLMABDLAIHE-HZPDHXFCSA-N 0 0 302.374 2.190 10 30 DEEERN C=CCCCN(C)C(=O)NCc1cccnc1OCCOC ZINC000265641509 402936191 /nfs/dbraw/zinc/93/61/91/402936191.db2.gz VDISLEWNOWIDGM-UHFFFAOYSA-N 0 0 307.394 2.214 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N1CCC(=O)[C@@H](C)C1 ZINC000281012094 403056922 /nfs/dbraw/zinc/05/69/22/403056922.db2.gz QXHYVLDGDFWGKC-NSHDSACASA-N 0 0 304.321 2.281 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1sc2nccn2c1C ZINC000281343845 403066495 /nfs/dbraw/zinc/06/64/95/403066495.db2.gz JYKHZBMBCQZBRZ-RYUDHWBXSA-N 0 0 305.403 2.415 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000281344241 403066557 /nfs/dbraw/zinc/06/65/57/403066557.db2.gz MEDXOZRSWOCOQR-KKUMJFAQSA-N 0 0 322.405 2.468 10 30 DEEERN C#CCOc1ccccc1NC(=O)C(=O)NCC1CCCCC1 ZINC000274732705 403082797 /nfs/dbraw/zinc/08/27/97/403082797.db2.gz QTMVCDUAHUPKLX-UHFFFAOYSA-N 0 0 314.385 2.334 10 30 DEEERN C=CCN1CC[C@@H](N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000281964056 403108676 /nfs/dbraw/zinc/10/86/76/403108676.db2.gz KQFFVGQZFIOPRD-IUODEOHRSA-N 0 0 303.362 2.375 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC000283021264 403165064 /nfs/dbraw/zinc/16/50/64/403165064.db2.gz SVNUHIXOLOOBET-CQSZACIVSA-N 0 0 320.437 2.442 10 30 DEEERN C=CCc1cc(C(=O)N(C)CC2(CO)CC2)cc(OC)c1OC ZINC000275914565 403132611 /nfs/dbraw/zinc/13/26/11/403132611.db2.gz UEZXNMBIHBLKAY-UHFFFAOYSA-N 0 0 319.401 2.277 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1CC[C@H](Oc2ccccn2)C1 ZINC000282511575 403155966 /nfs/dbraw/zinc/15/59/66/403155966.db2.gz FSAOSCLXHDLGLH-AWEZNQCLSA-N 0 0 311.389 2.394 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCN(Cc2ccccc2OC)CC1 ZINC000277341140 403207620 /nfs/dbraw/zinc/20/76/20/403207620.db2.gz DNFHJMWITCDKJN-UHFFFAOYSA-N 0 0 324.424 2.002 10 30 DEEERN C#CCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000270647022 403208496 /nfs/dbraw/zinc/20/84/96/403208496.db2.gz LBNMUKXGCJMMLL-HUUCEWRRSA-N 0 0 307.344 2.033 10 30 DEEERN Cc1cc(C)c2ncc(C#N)c(N3CC(=O)N(C)[C@@H](C)C3)c2c1 ZINC000283608823 403209848 /nfs/dbraw/zinc/20/98/48/403209848.db2.gz UGFHKTIFADGYLC-ZDUSSCGKSA-N 0 0 308.385 2.390 10 30 DEEERN C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC000283691110 403215694 /nfs/dbraw/zinc/21/56/94/403215694.db2.gz TVCWOQSMGIPSES-CYBMUJFWSA-N 0 0 304.394 2.121 10 30 DEEERN C=CCCCCNC(=O)C(=O)N[C@@H](C)c1ccccc1OC ZINC000283865413 403229019 /nfs/dbraw/zinc/22/90/19/403229019.db2.gz CHBNNUFNTOSVAJ-ZDUSSCGKSA-N 0 0 304.390 2.345 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(=C)CC1 ZINC000283331550 403190152 /nfs/dbraw/zinc/19/01/52/403190152.db2.gz QVMLNIOKYMOKPM-CQSZACIVSA-N 0 0 304.394 2.099 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N(C)CCCC(=O)NC ZINC000283430850 403197143 /nfs/dbraw/zinc/19/71/43/403197143.db2.gz YGMWXJRRKXPIQD-UHFFFAOYSA-N 0 0 321.469 2.405 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)N1CC=C(c2ccnn2C)CC1 ZINC000285652821 403350315 /nfs/dbraw/zinc/35/03/15/403350315.db2.gz PEWPSEPSFVFJAY-HNNXBMFYSA-N 0 0 314.433 2.098 10 30 DEEERN C=CCCOCCCCC(=O)N1CCN(CC(F)F)CC1 ZINC000342836031 403366304 /nfs/dbraw/zinc/36/63/04/403366304.db2.gz RUFGRZQPQLAUJF-UHFFFAOYSA-N 0 0 304.381 2.159 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](CC)[C@@H](O)C(F)F ZINC000298101087 403322063 /nfs/dbraw/zinc/32/20/63/403322063.db2.gz WSPVHTPEVMHXIT-QLFBSQMISA-N 0 0 324.371 2.325 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCCCC(=O)OC ZINC000286475228 403531513 /nfs/dbraw/zinc/53/15/13/403531513.db2.gz AEDGHIGBKKHRAM-MRXNPFEDSA-N 0 0 316.401 2.264 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)NCc1ccc(OCC)c(F)c1 ZINC000286522250 403533594 /nfs/dbraw/zinc/53/35/94/403533594.db2.gz UKCHSAGLGHFLIB-UHFFFAOYSA-N 0 0 322.380 2.265 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H]1CCOc2ccc(F)cc21 ZINC000286789651 403545854 /nfs/dbraw/zinc/54/58/54/403545854.db2.gz JGELPRCAKUKNFY-AWEZNQCLSA-N 0 0 320.364 2.190 10 30 DEEERN C=CC1CCN(C(=O)[C@@H]2CSCN2C(=O)[C@@H](C)CC)CC1 ZINC000346861855 403605637 /nfs/dbraw/zinc/60/56/37/403605637.db2.gz YTUNSQZIQZPYIJ-JSGCOSHPSA-N 0 0 310.463 2.359 10 30 DEEERN C=CCCN(C)C(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000346833754 403604280 /nfs/dbraw/zinc/60/42/80/403604280.db2.gz WFAAHIBJJQAYQM-GFCCVEGCSA-N 0 0 308.328 2.352 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@]12CCCO2 ZINC000369901344 286348893 /nfs/dbraw/zinc/34/88/93/286348893.db2.gz FYVJOSVEVPGPLT-JJRVBVJISA-N 0 0 321.421 2.048 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CCC(C)C ZINC000287323600 403575114 /nfs/dbraw/zinc/57/51/14/403575114.db2.gz NWKFWKPATIGKJD-KRWDZBQOSA-N 0 0 314.429 2.290 10 30 DEEERN C=CCCCN(C)C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000347216328 403624783 /nfs/dbraw/zinc/62/47/83/403624783.db2.gz MOWSONLJAGMLHG-GJZGRUSLSA-N 0 0 311.470 2.482 10 30 DEEERN COCc1cc(N[C@H](C)c2cccc(C#N)c2)n2ncnc2n1 ZINC000301450377 403631612 /nfs/dbraw/zinc/63/16/12/403631612.db2.gz PRDDUHLKLFCAHE-LLVKDONJSA-N 0 0 308.345 2.315 10 30 DEEERN Cc1cc(N2CCC([C@H](O)c3ncc[nH]3)CC2)c(C#N)c(C)n1 ZINC000302765494 403723043 /nfs/dbraw/zinc/72/30/43/403723043.db2.gz LHXTWFCMPUGTMM-INIZCTEOSA-N 0 0 311.389 2.243 10 30 DEEERN C=CCOc1ccc(CNC(=O)N[C@H]2CCOC[C@@H]2C)cc1 ZINC000288521258 403756851 /nfs/dbraw/zinc/75/68/51/403756851.db2.gz CJEFGJZGDOTSJJ-BBRMVZONSA-N 0 0 304.390 2.476 10 30 DEEERN C#CCO[C@H](C)C(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000295098433 403759056 /nfs/dbraw/zinc/75/90/56/403759056.db2.gz XAMDZJBTZWQTDB-WOSRLPQWSA-N 0 0 305.349 2.152 10 30 DEEERN C#CCCCCC(=O)NCCc1cnc2c(Cl)cnn2c1 ZINC000295390470 403896425 /nfs/dbraw/zinc/89/64/25/403896425.db2.gz NCXJWEFYDLXOFU-UHFFFAOYSA-N 0 0 304.781 2.235 10 30 DEEERN C=CCOc1ccc(C(=O)N(C)Cc2cc[nH]n2)cc1OC ZINC000351745496 403892996 /nfs/dbraw/zinc/89/29/96/403892996.db2.gz WGRBJSBOKIQJFT-UHFFFAOYSA-N 0 0 301.346 2.255 10 30 DEEERN N#CCSCCCN1CCO[C@H](COc2ccccc2)C1 ZINC000361982717 403916199 /nfs/dbraw/zinc/91/61/99/403916199.db2.gz GQSWHKUGXRQTKM-INIZCTEOSA-N 0 0 306.431 2.413 10 30 DEEERN N#C[C@@H]1CN(C(=O)CCc2ccc3[nH]ccc3c2)CCN1C1CC1 ZINC000362044439 403919044 /nfs/dbraw/zinc/91/90/44/403919044.db2.gz IXDLDSCSORQQBY-QGZVFWFLSA-N 0 0 322.412 2.299 10 30 DEEERN C=CCn1c(-c2ccccc2F)nnc1N1CCOC[C@H]1C ZINC000290107650 404042833 /nfs/dbraw/zinc/04/28/33/404042833.db2.gz FJMIPUYQTRLXSQ-GFCCVEGCSA-N 0 0 302.353 2.495 10 30 DEEERN C=CCn1c(=O)[nH]nc1SCc1cn(-c2ccccc2)nn1 ZINC000348133220 404044952 /nfs/dbraw/zinc/04/49/52/404044952.db2.gz RQPTWBYGDNIERM-UHFFFAOYSA-N 0 0 314.374 2.043 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)CCOC(C)C)C2)n1 ZINC000328613575 404114492 /nfs/dbraw/zinc/11/44/92/404114492.db2.gz SKGVTVNONZXQEN-CYBMUJFWSA-N 0 0 308.382 2.080 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCCO[C@@H](C)C1)CCC2 ZINC000328648490 404123977 /nfs/dbraw/zinc/12/39/77/404123977.db2.gz IBUYMELJAUTRTA-KBPBESRZSA-N 0 0 306.410 2.094 10 30 DEEERN COc1ccc(CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)cn1 ZINC000328619157 404115754 /nfs/dbraw/zinc/11/57/54/404115754.db2.gz FPEDEGARGORWTQ-IUODEOHRSA-N 0 0 316.361 2.058 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC000290347060 404135401 /nfs/dbraw/zinc/13/54/01/404135401.db2.gz KCVXVMGGRIOMNS-AWEZNQCLSA-N 0 0 319.453 2.110 10 30 DEEERN O=C(N[C@H]1CCc2cc(Cl)ccc21)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328727760 404138235 /nfs/dbraw/zinc/13/82/35/404138235.db2.gz GMJQOSPENRNOAX-GUTXKFCHSA-N 0 0 322.792 2.341 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N1CCC[C@H](n2cncn2)C1 ZINC000290361136 404141275 /nfs/dbraw/zinc/14/12/75/404141275.db2.gz LHYYYBUJRJZXNM-KGLIPLIRSA-N 0 0 315.425 2.411 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCOC2(C)C)cc1 ZINC000296219092 404149178 /nfs/dbraw/zinc/14/91/78/404149178.db2.gz ARLXUXKVLXKHGR-CQSZACIVSA-N 0 0 317.389 2.291 10 30 DEEERN Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328898151 404171512 /nfs/dbraw/zinc/17/15/12/404171512.db2.gz XWZVTRAUFCDCSA-XXLQHYSLSA-N 0 0 307.394 2.466 10 30 DEEERN N#C[C@H]1CN(C(=O)NCc2cc3ccccc3o2)CCN1C1CC1 ZINC000363519920 404172221 /nfs/dbraw/zinc/17/22/21/404172221.db2.gz MQMILRKMOGLAJG-HNNXBMFYSA-N 0 0 324.384 2.315 10 30 DEEERN C[C@@H]1CC(CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)C[C@@H](C)O1 ZINC000328926196 404174585 /nfs/dbraw/zinc/17/45/85/404174585.db2.gz OQJBXYDWNMJVAZ-YRGRVCCFSA-N 0 0 321.421 2.432 10 30 DEEERN C=C(C)CCc1noc(Cn2c(=O)[nH]c3ccccc3c2=O)n1 ZINC000349789684 404202109 /nfs/dbraw/zinc/20/21/09/404202109.db2.gz YNHGKPZIGIPGBY-UHFFFAOYSA-N 0 0 312.329 2.042 10 30 DEEERN CC(C)[C@H](NC(=O)N[C@H]1CCCOC1)c1nnc2ccccn21 ZINC000329202297 404264837 /nfs/dbraw/zinc/26/48/37/404264837.db2.gz YAJKKHRDPAJOSO-JSGCOSHPSA-N 0 0 317.393 2.109 10 30 DEEERN CC[C@H](C)[C@@H]1CCCCN1C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329252528 404279239 /nfs/dbraw/zinc/27/92/39/404279239.db2.gz BYNRCNRNMBSVER-ZQDZILKHSA-N 0 0 321.425 2.033 10 30 DEEERN O=C(NCC1(C(F)(F)F)CC1)N1CC[C@]2(CNC(=O)C2)C1 ZINC000329398598 404326440 /nfs/dbraw/zinc/32/64/40/404326440.db2.gz YDJWKRYMHJBNQK-NSHDSACASA-N 0 0 305.300 2.295 10 30 DEEERN O=C(N[C@H]1CNC(=O)C1)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000329463886 404345071 /nfs/dbraw/zinc/34/50/71/404345071.db2.gz UHKDQMOJIYEQRV-NKWVEPMBSA-N 0 0 316.283 2.219 10 30 DEEERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@H]2CCCC(C)(C)C2)nn1 ZINC000329346723 404309639 /nfs/dbraw/zinc/30/96/39/404309639.db2.gz VHJHRJTWOGNJPQ-IACUBPJLSA-N 0 0 322.409 2.138 10 30 DEEERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000329360340 404314307 /nfs/dbraw/zinc/31/43/07/404314307.db2.gz XVKSCYFFNFLHKS-YHUYYLMFSA-N 0 0 308.422 2.141 10 30 DEEERN C#CC[C@H](NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)c1ccccc1 ZINC000364359739 404364912 /nfs/dbraw/zinc/36/49/12/404364912.db2.gz LOAGUEMEYNHHBW-HMQMGEFJSA-N 0 0 311.381 2.109 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCOC[C@@H]1CC(F)F ZINC000355862202 404373390 /nfs/dbraw/zinc/37/33/90/404373390.db2.gz ODQVPTPVMHWJKA-OBJOEFQTSA-N 0 0 318.364 2.033 10 30 DEEERN Cn1cc(NC(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)c(C2CC2)n1 ZINC000329606908 404391357 /nfs/dbraw/zinc/39/13/57/404391357.db2.gz IFDBQVZQNNJKOE-CHWSQXEVSA-N 0 0 304.394 2.201 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1C[C@@H](O)C2(CC2)C1 ZINC000364433107 404391706 /nfs/dbraw/zinc/39/17/06/404391706.db2.gz FZZUJEJRGHCVAY-UKRRQHHQSA-N 0 0 320.458 2.108 10 30 DEEERN C[C@@H]1C(=O)NCCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000329987394 404515938 /nfs/dbraw/zinc/51/59/38/404515938.db2.gz SOYFXOOLIRRXLE-LLVKDONJSA-N 0 0 311.345 2.159 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000342218150 404449661 /nfs/dbraw/zinc/44/96/61/404449661.db2.gz XEEMIIORCGWTGM-RHSMWYFYSA-N 0 0 303.402 2.495 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ncc(C)cc1O ZINC000342391159 404550915 /nfs/dbraw/zinc/55/09/15/404550915.db2.gz GKHPDJBLRNTVGO-UHFFFAOYSA-N 0 0 316.357 2.399 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2CCN(C(=O)c3cccnc3)C2)CCC1 ZINC000365055302 404555454 /nfs/dbraw/zinc/55/54/54/404555454.db2.gz USTKEVJYBUIGBH-OAHLLOKOSA-N 0 0 313.401 2.159 10 30 DEEERN C=CCN1C(=O)N([C@@H]2CCCOC2)C(=O)[C@H]1Cc1ccccc1 ZINC000345265099 404646368 /nfs/dbraw/zinc/64/63/68/404646368.db2.gz LUSLZXMWBGGROA-HZPDHXFCSA-N 0 0 314.385 2.227 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)NCC(=O)NCC#N ZINC000351531241 404628549 /nfs/dbraw/zinc/62/85/49/404628549.db2.gz VUUKYAWAPADPER-UHFFFAOYSA-N 0 0 314.389 2.300 10 30 DEEERN CCC(=O)N1CSC[C@H]1C(=O)NCc1ccc2c(c1)COC2 ZINC000330348875 404633742 /nfs/dbraw/zinc/63/37/42/404633742.db2.gz JFYCNNVNQYXYHO-AWEZNQCLSA-N 0 0 320.414 2.485 10 30 DEEERN COC(=O)c1ccccc1CC(=O)N1CCC(C)(C#N)CC1 ZINC000357459674 404735345 /nfs/dbraw/zinc/73/53/45/404735345.db2.gz XQNNCVJPFPWOGO-UHFFFAOYSA-N 0 0 300.358 2.168 10 30 DEEERN C=CCN(C(=O)CS(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000357964716 404749836 /nfs/dbraw/zinc/74/98/36/404749836.db2.gz QAXPSBCEYBAZJA-UHFFFAOYSA-N 0 0 313.806 2.291 10 30 DEEERN C[C@H](NC(=O)[C@H](C#N)c1nccn1Cc1ccccc1)C1CC1 ZINC000358081509 404753312 /nfs/dbraw/zinc/75/33/12/404753312.db2.gz WXKPJYSMKJCWPU-XJKSGUPXSA-N 0 0 308.385 2.453 10 30 DEEERN C=C(CNC(=O)N[C@H]1CCCCC[C@H]1C(N)=O)c1ccccc1 ZINC000358589408 404767995 /nfs/dbraw/zinc/76/79/95/404767995.db2.gz MNUQZZGMOTZLKG-CVEARBPZSA-N 0 0 315.417 2.433 10 30 DEEERN C=C(CNC(=O)N1CCC[C@]2(CNC(=O)C2)C1)c1ccccc1 ZINC000358591250 404768073 /nfs/dbraw/zinc/76/80/73/404768073.db2.gz OMUSJIRTAMMXFA-SFHVURJKSA-N 0 0 313.401 2.012 10 30 DEEERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)NCC(C)(C)C#N ZINC000358629489 404770204 /nfs/dbraw/zinc/77/02/04/404770204.db2.gz UQIUTMVQHDVRLF-UHFFFAOYSA-N 0 0 317.315 2.130 10 30 DEEERN CC1(C#N)CCN(C(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000356983721 404723867 /nfs/dbraw/zinc/72/38/67/404723867.db2.gz WECCYFWOHWYANG-UHFFFAOYSA-N 0 0 324.178 2.316 10 30 DEEERN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCOC[C@H](C)C1 ZINC000359248090 404788012 /nfs/dbraw/zinc/78/80/12/404788012.db2.gz YLHLWMBQRXOLMM-CYBMUJFWSA-N 0 0 301.394 2.322 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1CCS(C)(=O)=O ZINC000359516397 404795133 /nfs/dbraw/zinc/79/51/33/404795133.db2.gz RCKZDXCLIYJUAL-KGLIPLIRSA-N 0 0 301.452 2.405 10 30 DEEERN C=C(Br)CN1CCC(COC)(C(=O)OCC)CC1 ZINC000366577860 404818046 /nfs/dbraw/zinc/81/80/46/404818046.db2.gz UKRYOWNXPHPAEX-UHFFFAOYSA-N 0 0 320.227 2.187 10 30 DEEERN C[C@@H](Cc1ccc(O)cc1)N(C)S(=O)(=O)CC1(CC#N)CC1 ZINC000451335929 404959059 /nfs/dbraw/zinc/95/90/59/404959059.db2.gz VIFVKUUMXXIXQF-ZDUSSCGKSA-N 0 0 322.430 2.279 10 30 DEEERN Cc1noc(C)c1CO[C@H]1CCN(c2nc(C)cc(C#N)n2)C1 ZINC000367325369 405013268 /nfs/dbraw/zinc/01/32/68/405013268.db2.gz COFVUXGGPCFUER-AWEZNQCLSA-N 0 0 313.361 2.057 10 30 DEEERN CCn1ccnc1[C@H]1CCCCN1C(=O)c1ccc(C#N)n1C ZINC000451396549 404979654 /nfs/dbraw/zinc/97/96/54/404979654.db2.gz SUYQKTSWHPJRGL-CQSZACIVSA-N 0 0 311.389 2.481 10 30 DEEERN C=C(CC)CNS(=O)(=O)c1ccccc1Cn1ccnc1 ZINC000452037070 405135253 /nfs/dbraw/zinc/13/52/53/405135253.db2.gz AIJHUWWRSGDVAM-UHFFFAOYSA-N 0 0 305.403 2.176 10 30 DEEERN C=CCC1(C(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)CCOCC1 ZINC000424661762 405142054 /nfs/dbraw/zinc/14/20/54/405142054.db2.gz WSGGURFQLUGOAJ-HUUCEWRRSA-N 0 0 322.449 2.265 10 30 DEEERN C=CCCn1cc(C(=O)Nc2ccccc2N(C)C(C)=O)nn1 ZINC000424679068 405147128 /nfs/dbraw/zinc/14/71/28/405147128.db2.gz LFPSSDINJZHGTJ-UHFFFAOYSA-N 0 0 313.361 2.089 10 30 DEEERN C=CCC1(C(=O)N2C[C@@H](CC)[S@](=O)[C@@H](C)C2)CCOCC1 ZINC000424830932 405190660 /nfs/dbraw/zinc/19/06/60/405190660.db2.gz HZNNXBZKADBPLA-PXIJXODZSA-N 0 0 313.463 2.117 10 30 DEEERN C=CCOC[C@H](NC(=O)c1cc(C)ccc1C1CC1)C(=O)OC ZINC000424846815 405194940 /nfs/dbraw/zinc/19/49/40/405194940.db2.gz XZHBWHCBJFLJFD-INIZCTEOSA-N 0 0 317.385 2.346 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC000424924021 405213022 /nfs/dbraw/zinc/21/30/22/405213022.db2.gz KZJGICNNMKVALK-UXLLHSPISA-N 0 0 300.402 2.220 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCCCc1nnc2ccccn21 ZINC000437814428 405221620 /nfs/dbraw/zinc/22/16/20/405221620.db2.gz LAMSWQIZACMIKM-KRWDZBQOSA-N 0 0 316.405 2.007 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)COC/C=C\c1ccccc1 ZINC000424928627 405214563 /nfs/dbraw/zinc/21/45/63/405214563.db2.gz AACPTUIGYOHVNH-GCZRAQGHSA-N 0 0 301.386 2.424 10 30 DEEERN C=CCC1(C(=O)NCC(CC)(CC)C(=O)OC)CCOCC1 ZINC000424757057 405169243 /nfs/dbraw/zinc/16/92/43/405169243.db2.gz AHJYRILQBDKNLB-UHFFFAOYSA-N 0 0 311.422 2.455 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CCOCC1 ZINC000424762385 405170803 /nfs/dbraw/zinc/17/08/03/405170803.db2.gz FUGWYSKVQKITIR-KFWWJZLASA-N 0 0 305.418 2.433 10 30 DEEERN C=CCC1(C(=O)N[C@H](C/C=C/C)C(=O)OCC)CCOCC1 ZINC000424772301 405173704 /nfs/dbraw/zinc/17/37/04/405173704.db2.gz DTVHIESOYSMSKI-BTKRWWFXSA-N 0 0 309.406 2.373 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000425256520 405264698 /nfs/dbraw/zinc/26/46/98/405264698.db2.gz AHDAIZSMLZCNRE-FZMZJTMJSA-N 0 0 306.318 2.384 10 30 DEEERN C=CCN(C(=O)[C@@H]1CO[C@@H](C)C1)c1nc(C(=O)OCC)cs1 ZINC000439106550 405266062 /nfs/dbraw/zinc/26/60/62/405266062.db2.gz IABUDAORERQGGX-QWRGUYRKSA-N 0 0 324.402 2.264 10 30 DEEERN C=C(C)CCN1C(=O)N[C@@H](c2ccc(OC)cc2OC)C1=O ZINC000419992534 405277870 /nfs/dbraw/zinc/27/78/70/405277870.db2.gz JSRFICQDACRVBS-AWEZNQCLSA-N 0 0 304.346 2.263 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000438149133 405234497 /nfs/dbraw/zinc/23/44/97/405234497.db2.gz GIIZPZWROIMHTP-KBXCAEBGSA-N 0 0 316.401 2.457 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(F)c(C)cc1F ZINC000425176779 405253959 /nfs/dbraw/zinc/25/39/59/405253959.db2.gz BWXQIZXJWGBNMX-GWCFXTLKSA-N 0 0 317.357 2.143 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)Nc1ccc2cc[nH]c(=O)c2c1 ZINC000425722011 405315404 /nfs/dbraw/zinc/31/54/04/405315404.db2.gz GYQNSPZFDDDHEZ-ZDUSSCGKSA-N 0 0 301.346 2.389 10 30 DEEERN C=C(CC)CNC(=O)NCc1c(OC)cc(OC)cc1OC ZINC000454294275 405323630 /nfs/dbraw/zinc/32/36/30/405323630.db2.gz JTDJNRNHYCUVSV-UHFFFAOYSA-N 0 0 308.378 2.478 10 30 DEEERN CC#CCCNC(=O)C(=O)Nc1cc(F)ccc1OC(C)C ZINC000440710010 405323711 /nfs/dbraw/zinc/32/37/11/405323711.db2.gz FWYSIXVKBXZVLE-UHFFFAOYSA-N 0 0 306.337 2.081 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCCC1CCCC1 ZINC000425892055 405326741 /nfs/dbraw/zinc/32/67/41/405326741.db2.gz UWNLOMBZFCCWMJ-HOTGVXAUSA-N 0 0 322.449 2.170 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)C1CCC(C)(C)CC1 ZINC000425909288 405328776 /nfs/dbraw/zinc/32/87/76/405328776.db2.gz NTCLFZFXIYRDAO-ZFWWWQNUSA-N 0 0 322.449 2.121 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N([C@H](C)[C@H](C)CC)C1CC1 ZINC000425909041 405328887 /nfs/dbraw/zinc/32/88/87/405328887.db2.gz LTRQVFQNYIRNGL-NYTXWWLZSA-N 0 0 322.449 2.119 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N([C@@H](C)[C@H](C)CC)C1CC1 ZINC000425909040 405329025 /nfs/dbraw/zinc/32/90/25/405329025.db2.gz LTRQVFQNYIRNGL-HOSILWTGSA-N 0 0 322.449 2.119 10 30 DEEERN CCCS(=O)(=O)Cc1noc(/C=C\c2cccc(C#N)c2)n1 ZINC000445465140 405351877 /nfs/dbraw/zinc/35/18/77/405351877.db2.gz PQWJIDDEFOCLBO-SREVYHEPSA-N 0 0 317.370 2.436 10 30 DEEERN C=CCCO[C@H](C)C(=O)NC1(C(=O)Nc2ccccc2)CC1 ZINC000426381074 405355740 /nfs/dbraw/zinc/35/57/40/405355740.db2.gz VBVHCLOAFZJZCZ-CYBMUJFWSA-N 0 0 302.374 2.255 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000425479778 405297815 /nfs/dbraw/zinc/29/78/15/405297815.db2.gz RAFXSKSMKAJLAE-ZFWWWQNUSA-N 0 0 319.361 2.028 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CCOCc1ccccc1 ZINC000425565443 405303505 /nfs/dbraw/zinc/30/35/05/405303505.db2.gz OAWYANMGHNYLNX-IRXDYDNUSA-N 0 0 318.417 2.436 10 30 DEEERN C=CCCCN(C)C(=O)NCc1nn(C)cc1Br ZINC000455372128 405402591 /nfs/dbraw/zinc/40/25/91/405402591.db2.gz JCSGSNTTWLATAO-UHFFFAOYSA-N 0 0 315.215 2.290 10 30 DEEERN C=CCCc1ccccc1NC(=O)N1CCN(CCO)C[C@H]1C ZINC000455390528 405403935 /nfs/dbraw/zinc/40/39/35/405403935.db2.gz XSJTVROQHQDOGF-OAHLLOKOSA-N 0 0 317.433 2.336 10 30 DEEERN CC(C)(C#N)CC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1 ZINC000447311283 405409578 /nfs/dbraw/zinc/40/95/78/405409578.db2.gz AMTDITFAHCSXGS-CYBMUJFWSA-N 0 0 317.414 2.466 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@H](NC(C)=O)C1 ZINC000421286763 405462112 /nfs/dbraw/zinc/46/21/12/405462112.db2.gz FDTSAYLOXLBDSI-HNNXBMFYSA-N 0 0 319.453 2.158 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)Cc1ccc(Br)s1 ZINC000456778574 405563029 /nfs/dbraw/zinc/56/30/29/405563029.db2.gz OTYKCKWWEOAQTC-VIFPVBQESA-N 0 0 318.236 2.496 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000458614714 405503456 /nfs/dbraw/zinc/50/34/56/405503456.db2.gz QORPTIVRTRMEBE-BBWFWOEESA-N 0 0 318.417 2.391 10 30 DEEERN C=CCC(C)(C)CNC(=O)N(CCO)Cc1ccnn1CC ZINC000458816046 405605835 /nfs/dbraw/zinc/60/58/35/405605835.db2.gz ZTSLHCKNZZSANN-UHFFFAOYSA-N 0 0 308.426 2.009 10 30 DEEERN C=CCn1cc(CNC(=O)N[C@H](CF)c2ccc(F)cc2)nn1 ZINC000633320066 405570803 /nfs/dbraw/zinc/57/08/03/405570803.db2.gz ZJLYRRYTRUQFPE-CQSZACIVSA-N 0 0 321.331 2.113 10 30 DEEERN C=CCn1c(S[C@@H]2CCNC2=O)nnc1-c1ccc(F)cc1 ZINC000431246991 405596050 /nfs/dbraw/zinc/59/60/50/405596050.db2.gz KCWGXLLYYFCQAO-GFCCVEGCSA-N 0 0 318.377 2.251 10 30 DEEERN C=CCC(C)(C)CNC(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000458807824 405601289 /nfs/dbraw/zinc/60/12/89/405601289.db2.gz GQRBPNPFWZCXFZ-ZIAGYGMSSA-N 0 0 307.438 2.289 10 30 DEEERN C[C@H]1C[C@@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449597873 405633534 /nfs/dbraw/zinc/63/35/34/405633534.db2.gz GRTBKBPLMJQWBO-GXSJLCMTSA-N 0 0 323.190 2.472 10 30 DEEERN C=C(C)CCNC(=O)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000458989175 405680109 /nfs/dbraw/zinc/68/01/09/405680109.db2.gz AWESQBOPXJTZFL-DOTOQJQBSA-N 0 0 306.381 2.462 10 30 DEEERN C=CCn1c([C@@H]2CCOC2)nnc1N1CCC(C)(C#N)CC1 ZINC000558677430 405688489 /nfs/dbraw/zinc/68/84/89/405688489.db2.gz RUHJXBKMJOCBPR-CYBMUJFWSA-N 0 0 301.394 2.098 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@]1(C)CCN(C)C1=O ZINC000636029339 405692359 /nfs/dbraw/zinc/69/23/59/405692359.db2.gz WIRCGYHPPYCDIQ-MAUKXSAKSA-N 0 0 300.402 2.158 10 30 DEEERN C=CCC(C)(C)CNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000432104912 405722784 /nfs/dbraw/zinc/72/27/84/405722784.db2.gz CENOXADMYIYVAG-CQSZACIVSA-N 0 0 317.437 2.347 10 30 DEEERN C=CCN(C(=O)Cc1cn2cc(C)sc2n1)[C@@H](C)COC ZINC000633613291 405746100 /nfs/dbraw/zinc/74/61/00/405746100.db2.gz WSWXCCGMYAASDQ-NSHDSACASA-N 0 0 307.419 2.296 10 30 DEEERN C=CCC1(NC(=O)c2cn3c(n2)C[C@H](C)CC3)CCOCC1 ZINC000633637799 405759342 /nfs/dbraw/zinc/75/93/42/405759342.db2.gz DYBAAUYUUUNXAS-CYBMUJFWSA-N 0 0 303.406 2.321 10 30 DEEERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc(C#N)n1C)CC2 ZINC000450238325 405793522 /nfs/dbraw/zinc/79/35/22/405793522.db2.gz VLBUCIMHZAGHNN-UHFFFAOYSA-N 0 0 321.380 2.340 10 30 DEEERN C[C@@H](NC(=O)c1ccc(C#N)n1C)c1ccc([S@](C)=O)cc1 ZINC000450242151 405795863 /nfs/dbraw/zinc/79/58/63/405795863.db2.gz KTHUZPXQZYFFIQ-XFNZEKPQSA-N 0 0 315.398 2.125 10 30 DEEERN C=C[C@](C)(O)CC(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633750177 405820675 /nfs/dbraw/zinc/82/06/75/405820675.db2.gz NLXVFGPIXDMCHG-JSGCOSHPSA-N 0 0 317.307 2.182 10 30 DEEERN CO[C@@](C)(CO)CNc1cc(Br)c(C#N)cc1F ZINC000594587964 405890084 /nfs/dbraw/zinc/89/00/84/405890084.db2.gz CBHPUVKUDSNIML-GFCCVEGCSA-N 0 0 317.158 2.269 10 30 DEEERN CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc(C#N)n1C ZINC000450320386 405831548 /nfs/dbraw/zinc/83/15/48/405831548.db2.gz VJGYEACTVHVXSX-UHFFFAOYSA-N 0 0 305.378 2.089 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CCSc2ncnc3[nH]cnc32)C1 ZINC000636251792 405840195 /nfs/dbraw/zinc/84/01/95/405840195.db2.gz MZHIXGFKAQJXTO-NSHDSACASA-N 0 0 317.418 2.260 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1)OCC ZINC000633806488 405851848 /nfs/dbraw/zinc/85/18/48/405851848.db2.gz WBXKZLJCFWEOQN-BRWVUGGUSA-N 0 0 319.401 2.008 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1cn(CC2(C)COC2)nn1 ZINC000633965320 405933659 /nfs/dbraw/zinc/93/36/59/405933659.db2.gz OONBXOKLLFYOSA-UHFFFAOYSA-N 0 0 306.410 2.037 10 30 DEEERN C[N@H+](CCNC(=O)Cc1cccc(C#N)c1)Cc1ccccc1 ZINC000531384489 405950166 /nfs/dbraw/zinc/95/01/66/405950166.db2.gz ROEWKGHSZRGBRA-UHFFFAOYSA-N 0 0 307.397 2.349 10 30 DEEERN C=CCN(C[C@@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000450565267 405957871 /nfs/dbraw/zinc/95/78/71/405957871.db2.gz WBGMJQCOSJBVND-QWHCGFSZSA-N 0 0 307.406 2.487 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000561184841 405901943 /nfs/dbraw/zinc/90/19/43/405901943.db2.gz ZOXILVHZFIJEKN-SKDRFNHKSA-N 0 0 322.352 2.017 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CC(F)(F)CN ZINC000566076192 406085046 /nfs/dbraw/zinc/08/50/46/406085046.db2.gz SHOCOBDAKQGTOQ-UHFFFAOYSA-N 0 0 313.304 2.094 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCC1(CCOC)CCCC1 ZINC000636808976 406087722 /nfs/dbraw/zinc/08/77/22/406087722.db2.gz YECMTZYYRUSFKH-UHFFFAOYSA-N 0 0 324.465 2.418 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1CCO[C@@H](CC(C)C)C1 ZINC000636817393 406090304 /nfs/dbraw/zinc/09/03/04/406090304.db2.gz UNHSLZANPAQIBF-GJZGRUSLSA-N 0 0 324.465 2.415 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000567179655 406094356 /nfs/dbraw/zinc/09/43/56/406094356.db2.gz OCGMGIFTBIGXAF-CYBMUJFWSA-N 0 0 310.438 2.311 10 30 DEEERN C=CCn1c([C@@H]2CCCS2)nnc1N(C)Cc1cnccn1 ZINC000567462947 406096630 /nfs/dbraw/zinc/09/66/30/406096630.db2.gz PEMOWTYYQTXIFN-ZDUSSCGKSA-N 0 0 316.434 2.459 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C)c1cnn(C(C)C)c1 ZINC000636704053 406058524 /nfs/dbraw/zinc/05/85/24/406058524.db2.gz KRHUKNIBYXJYCY-CYBMUJFWSA-N 0 0 320.437 2.360 10 30 DEEERN C=CCCCCCNC(=O)c1sc(S(N)(=O)=O)cc1C ZINC000563402477 406060208 /nfs/dbraw/zinc/06/02/08/406060208.db2.gz DUIAKXPDNPOZKR-UHFFFAOYSA-N 0 0 316.448 2.180 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)N1Cc2cccc(OC)c2C1 ZINC000636726725 406064202 /nfs/dbraw/zinc/06/42/02/406064202.db2.gz QDDPPCDIFIVGAP-ZDUSSCGKSA-N 0 0 316.401 2.398 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000564878201 406067217 /nfs/dbraw/zinc/06/72/17/406067217.db2.gz XYFBJTIBGFLRBZ-JSGCOSHPSA-N 0 0 315.822 2.351 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000636737919 406068074 /nfs/dbraw/zinc/06/80/74/406068074.db2.gz RRCGTKIENWXGNJ-CHWSQXEVSA-N 0 0 310.438 2.167 10 30 DEEERN C=C(C)Cn1c(C2CCC2)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000516695256 406102967 /nfs/dbraw/zinc/10/29/67/406102967.db2.gz SIAYXYIOLMOHKY-JSGCOSHPSA-N 0 0 317.437 2.212 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000515782730 406078648 /nfs/dbraw/zinc/07/86/48/406078648.db2.gz KWOWXOFTNDNYDX-GUSZCTEKSA-N 0 0 316.401 2.364 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1CCc2cnc(C)n2C1 ZINC000516775625 406105458 /nfs/dbraw/zinc/10/54/58/406105458.db2.gz WSHAEKCXSODWRZ-NSHDSACASA-N 0 0 301.312 2.331 10 30 DEEERN C=CCC1(NS(=O)(=O)C[C@@H]2CCC2(F)F)CCOCC1 ZINC000632555838 406180329 /nfs/dbraw/zinc/18/03/29/406180329.db2.gz SZYWVNCVKCKPCE-NSHDSACASA-N 0 0 309.378 2.076 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000637117550 406181352 /nfs/dbraw/zinc/18/13/52/406181352.db2.gz VMAAVIQCXQPTNL-XQQFMLRXSA-N 0 0 318.364 2.033 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC000632591304 406193058 /nfs/dbraw/zinc/19/30/58/406193058.db2.gz SUQGASFJQIACEG-VIFPVBQESA-N 0 0 323.340 2.026 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCC(C)(COC)CC1 ZINC000632594548 406193377 /nfs/dbraw/zinc/19/33/77/406193377.db2.gz LONUMQSOYBAZKD-UHFFFAOYSA-N 0 0 324.465 2.370 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@H](C)c2noc(COCC)n2)C1 ZINC000637158139 406194459 /nfs/dbraw/zinc/19/44/59/406194459.db2.gz LONRHULHOYOZFW-NEPJUHHUSA-N 0 0 308.382 2.275 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(C(C)(C)C)[nH]c1=O ZINC000637190189 406205580 /nfs/dbraw/zinc/20/55/80/406205580.db2.gz ANCYQHACMCECIE-OLZOCXBDSA-N 0 0 319.405 2.227 10 30 DEEERN C=C(CC)CNC(=O)NCC1(OCCO)CCC(F)(F)CC1 ZINC000637202540 406210377 /nfs/dbraw/zinc/21/03/77/406210377.db2.gz DICGAHRFPHBWAX-UHFFFAOYSA-N 0 0 320.380 2.209 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CC[C@@H](OC(C)C)C1 ZINC000632649787 406214349 /nfs/dbraw/zinc/21/43/49/406214349.db2.gz VDKPHALWAWCIGT-CQSZACIVSA-N 0 0 310.438 2.121 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)CC1=CCSC1 ZINC000632670191 406222149 /nfs/dbraw/zinc/22/21/49/406222149.db2.gz NPYNJQBQMFWTAR-UHFFFAOYSA-N 0 0 310.463 2.227 10 30 DEEERN C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)N(C)CC2 ZINC000487399121 406227894 /nfs/dbraw/zinc/22/78/94/406227894.db2.gz RCHYACRLAQNIAQ-AWEZNQCLSA-N 0 0 306.431 2.408 10 30 DEEERN C=CCOCCCNC(=O)N[C@@](C)(CO)Cc1ccc(F)cc1 ZINC000637274987 406238668 /nfs/dbraw/zinc/23/86/68/406238668.db2.gz JYEQIRWFBKFKOI-QGZVFWFLSA-N 0 0 324.396 2.011 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000637321960 406257469 /nfs/dbraw/zinc/25/74/69/406257469.db2.gz MOLJSMTXPXJGFO-MRXNPFEDSA-N 0 0 323.481 2.485 10 30 DEEERN C=CCCCS(=O)(=O)N[C@@H](c1ccccc1F)[C@H](C)O ZINC000519823005 406259603 /nfs/dbraw/zinc/25/96/03/406259603.db2.gz JCFYSIZPIXNYEW-SMDDNHRTSA-N 0 0 301.383 2.133 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cc1cn2cc(C)sc2n1 ZINC000632841112 406285861 /nfs/dbraw/zinc/28/58/61/406285861.db2.gz SODYQXMSKRSJHB-WFASDCNBSA-N 0 0 319.430 2.344 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC000637496830 406328756 /nfs/dbraw/zinc/32/87/56/406328756.db2.gz SKLJVBJGUOLODG-ZDUSSCGKSA-N 0 0 315.373 2.382 10 30 DEEERN C=CCOc1ccc(CN2CC(=O)N(CC(F)(F)F)C2)cc1 ZINC000488555752 406330613 /nfs/dbraw/zinc/33/06/13/406330613.db2.gz IGADERJYGMFYPX-UHFFFAOYSA-N 0 0 314.307 2.415 10 30 DEEERN CC#CC[C@H](CO)NC(=O)NCC1(C(F)(F)F)CCCC1 ZINC000637536087 406340750 /nfs/dbraw/zinc/34/07/50/406340750.db2.gz VLUQWWXVZLZKIV-LLVKDONJSA-N 0 0 306.328 2.183 10 30 DEEERN C=CCC1(NC(=O)N[C@H]2CCN(C3CCC3)C2=O)CCCC1 ZINC000637571983 406351811 /nfs/dbraw/zinc/35/18/11/406351811.db2.gz KLOOZOBYDORLJA-AWEZNQCLSA-N 0 0 305.422 2.328 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)c1cnc2c(cnn2C)c1OC ZINC000488831151 406353619 /nfs/dbraw/zinc/35/36/19/406353619.db2.gz SBROCPUEPYHWSK-NSHDSACASA-N 0 0 300.362 2.158 10 30 DEEERN CC1(C#N)CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000541886635 406300643 /nfs/dbraw/zinc/30/06/43/406300643.db2.gz BSQDDTKYZHQVBA-CQSZACIVSA-N 0 0 311.385 2.192 10 30 DEEERN C=CCCCS(=O)(=O)NCc1noc(-c2ccccc2)n1 ZINC000489259060 406386604 /nfs/dbraw/zinc/38/66/04/406386604.db2.gz QZUBLJCVNLGKKQ-UHFFFAOYSA-N 0 0 307.375 2.122 10 30 DEEERN C=CCN(C(=O)NCc1cccc2c1CCOC2)[C@@H](C)COC ZINC000637699487 406393848 /nfs/dbraw/zinc/39/38/48/406393848.db2.gz PFYTWIOQWNOTQJ-AWEZNQCLSA-N 0 0 318.417 2.492 10 30 DEEERN C=CCN(C(=O)NCc1cccc2c1CCOC2)[C@H](C)COC ZINC000637699488 406394527 /nfs/dbraw/zinc/39/45/27/406394527.db2.gz PFYTWIOQWNOTQJ-CQSZACIVSA-N 0 0 318.417 2.492 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NC[C@H](CO)c1cccnc1 ZINC000637620668 406368002 /nfs/dbraw/zinc/36/80/02/406368002.db2.gz GLOLTEMBNHDVEH-OAHLLOKOSA-N 0 0 305.422 2.449 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CC[C@@H](C)S(=O)(=O)CC1 ZINC000637620203 406368155 /nfs/dbraw/zinc/36/81/55/406368155.db2.gz ABZVEFYPJVHNAX-CYBMUJFWSA-N 0 0 316.467 2.197 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cc(CCC)nn1C ZINC000635260352 406479309 /nfs/dbraw/zinc/47/93/09/406479309.db2.gz NCMCSLREHQCGNP-UHFFFAOYSA-N 0 0 320.437 2.420 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ncc(C(C)(C)C)o1 ZINC000571397378 406514820 /nfs/dbraw/zinc/51/48/20/406514820.db2.gz ODJTUNAFDQVMOB-RYUDHWBXSA-N 0 0 307.394 2.362 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000572395956 406661295 /nfs/dbraw/zinc/66/12/95/406661295.db2.gz RKOIPWZZKJKNGF-JFMONLCZSA-N 0 0 312.413 2.463 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1sccc1Cl ZINC000573318738 406772213 /nfs/dbraw/zinc/77/22/13/406772213.db2.gz XPWKHUXLIPZOHE-WPRPVWTQSA-N 0 0 307.824 2.271 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000573713704 406775637 /nfs/dbraw/zinc/77/56/37/406775637.db2.gz BHHODIUMEZJDRZ-CAOSSQGBSA-N 0 0 320.433 2.321 10 30 DEEERN Cn1cc(OCC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000573743448 406776635 /nfs/dbraw/zinc/77/66/35/406776635.db2.gz OJEHVYZQCYWAMG-DLBZAZTESA-N 0 0 324.384 2.097 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CCC(CC)CC1 ZINC000573795105 406776900 /nfs/dbraw/zinc/77/69/00/406776900.db2.gz UNKRSSWBZKXQBP-UHFFFAOYSA-N 0 0 315.425 2.194 10 30 DEEERN N#CC1CCC(CNC(=O)NCc2ccccc2CO)CC1 ZINC000574833093 406786951 /nfs/dbraw/zinc/78/69/51/406786951.db2.gz HWBGPQRRQBCHTL-UHFFFAOYSA-N 0 0 301.390 2.308 10 30 DEEERN C[C@@H]1C(c2cccs2)=[N+]([O-])[C@](C)(C(=O)c2cccs2)N1O ZINC000575330122 406806600 /nfs/dbraw/zinc/80/66/00/406806600.db2.gz RWZRIGPHTPWRRH-PIDFTODBSA-N 0 0 323.419 2.098 10 30 DEEERN CCOC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1C#N ZINC000575383475 406807771 /nfs/dbraw/zinc/80/77/71/406807771.db2.gz KEIZXCYKDWQHME-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1c2ccccc2O[C@@H]1C ZINC000576152268 406829261 /nfs/dbraw/zinc/82/92/61/406829261.db2.gz WEUHAQFLUPACCP-DSPQJCBJSA-N 0 0 302.374 2.399 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000555256858 406838478 /nfs/dbraw/zinc/83/84/78/406838478.db2.gz VZUNROAPGUYRCI-ZQIUZPCESA-N 0 0 320.437 2.325 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)NCc1cccc(C)n1 ZINC000556188275 406864745 /nfs/dbraw/zinc/86/47/45/406864745.db2.gz NPYNWIRQUBGASS-UHFFFAOYSA-N 0 0 303.406 2.211 10 30 DEEERN CCOC(=O)[C@@](C)(C#N)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000128896660 196001313 /nfs/dbraw/zinc/00/13/13/196001313.db2.gz ZBMVSPRJYQFLMH-ZDUSSCGKSA-N 0 0 317.313 2.027 10 30 DEEERN C=CC[C@@H](C)NC(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000129217749 196030418 /nfs/dbraw/zinc/03/04/18/196030418.db2.gz RLEVKZZLKOCSGF-CHWSQXEVSA-N 0 0 314.389 2.049 10 30 DEEERN C#CCOCCC(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000129227115 196030959 /nfs/dbraw/zinc/03/09/59/196030959.db2.gz DEVUSXKIUCWSIL-INIZCTEOSA-N 0 0 301.386 2.405 10 30 DEEERN C[C@@H](CC#N)N(C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000129665004 196065919 /nfs/dbraw/zinc/06/59/19/196065919.db2.gz KFYFUYWZWNRVTG-VIFPVBQESA-N 0 0 302.403 2.207 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(OCCOC)cc1 ZINC000130585053 196093688 /nfs/dbraw/zinc/09/36/88/196093688.db2.gz SKGZBBOXWGKYDE-UHFFFAOYSA-N 0 0 320.389 2.075 10 30 DEEERN C=CCC[C@@H](NC(=O)N1CCNC(=O)CC1)c1ccccc1 ZINC000131100240 196139173 /nfs/dbraw/zinc/13/91/73/196139173.db2.gz ATTCBEKPHUWVLF-OAHLLOKOSA-N 0 0 301.390 2.225 10 30 DEEERN C=CCC(CC=C)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000131236279 196152529 /nfs/dbraw/zinc/15/25/29/196152529.db2.gz AAGBMGDGFOBIOJ-UHFFFAOYSA-N 0 0 300.406 2.284 10 30 DEEERN CCC(C#N)(CC)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000131270096 196156708 /nfs/dbraw/zinc/15/67/08/196156708.db2.gz UTWVWCGAHLVOER-UHFFFAOYSA-N 0 0 315.326 2.095 10 30 DEEERN Cc1cccc(C(=O)NCc2cc(C#CCO)cs2)c1F ZINC000132103274 196226560 /nfs/dbraw/zinc/22/65/60/196226560.db2.gz CDVXOLBNQJISGB-UHFFFAOYSA-N 0 0 303.358 2.469 10 30 DEEERN C#CCn1ncc(NC2CCCCC2)c(Br)c1=O ZINC000132989036 196303218 /nfs/dbraw/zinc/30/32/18/196303218.db2.gz WQQSSPMGQINPAS-UHFFFAOYSA-N 0 0 310.195 2.384 10 30 DEEERN CC[C@H](CSC)NC(=O)c1ccc(C#CCCO)cc1F ZINC000133981693 196350997 /nfs/dbraw/zinc/35/09/97/196350997.db2.gz LUJKOYODXZHTEA-CYBMUJFWSA-N 0 0 309.406 2.431 10 30 DEEERN CC(C)c1nc2n(n1)C[C@H](NC(=O)C1(C#N)CCCCC1)CC2 ZINC000134081886 196359819 /nfs/dbraw/zinc/35/98/19/196359819.db2.gz YPNRNUIQHBFILH-CYBMUJFWSA-N 0 0 315.421 2.307 10 30 DEEERN Cc1ccn(-c2ccccc2CNC(=O)c2cc(C#N)cn2C)n1 ZINC000134326072 196379244 /nfs/dbraw/zinc/37/92/44/196379244.db2.gz UULDBWMDQWOTRO-UHFFFAOYSA-N 0 0 319.368 2.321 10 30 DEEERN CCc1nnc(NC(=O)NCCOc2ccc(C#N)cc2)s1 ZINC000174472510 224782867 /nfs/dbraw/zinc/78/28/67/224782867.db2.gz GGSRUZZTZCNHCX-UHFFFAOYSA-N 0 0 317.374 2.173 10 30 DEEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181545798 224905166 /nfs/dbraw/zinc/90/51/66/224905166.db2.gz OHLNVWWGWNQKPT-HNNXBMFYSA-N 0 0 321.384 2.407 10 30 DEEERN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@@H](C#N)C2CC2)c1 ZINC000188426626 225020879 /nfs/dbraw/zinc/02/08/79/225020879.db2.gz XRXIXCDURLJRQT-CFVMTHIKSA-N 0 0 300.358 2.226 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000190156722 225077106 /nfs/dbraw/zinc/07/71/06/225077106.db2.gz TVDNKQZQAPPDID-SNVBAGLBSA-N 0 0 309.316 2.497 10 30 DEEERN O=C(N[C@@H]1COc2ccccc21)C1(N2CCOCC2)CCC1 ZINC000329077043 225833138 /nfs/dbraw/zinc/83/31/38/225833138.db2.gz BBTBCWQSNMUPJI-CQSZACIVSA-N 0 0 302.374 2.332 10 30 DEEERN O=C(Nc1cnc2c(c1)CCCC2)N1CCC[C@@](F)(CO)C1 ZINC000329233647 225851144 /nfs/dbraw/zinc/85/11/44/225851144.db2.gz HBQXAENLYVFUOE-INIZCTEOSA-N 0 0 307.369 2.302 10 30 DEEERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N[C@H]2CCOC3(CCCC3)C2)O1 ZINC000329283974 225858409 /nfs/dbraw/zinc/85/84/09/225858409.db2.gz OFPALMIPACHTAJ-MELADBBJSA-N 0 0 324.421 2.071 10 30 DEEERN O=C(NC[C@@H]1COCCO1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329549076 225894055 /nfs/dbraw/zinc/89/40/55/225894055.db2.gz BJUWLFLFDAAEBM-HACGYAERSA-N 0 0 303.358 2.099 10 30 DEEERN NC(=O)c1ccc(NC(=O)N2CCO[C@@H](C3CC3)C2)c(F)c1 ZINC000330125601 225969721 /nfs/dbraw/zinc/96/97/21/225969721.db2.gz BQGYCLFRWBYQFE-CYBMUJFWSA-N 0 0 307.325 2.365 10 30 DEEERN N#C[C@H]1CN(Cc2ccc(Br)o2)CCN1C1CC1 ZINC000364747148 226938926 /nfs/dbraw/zinc/93/89/26/226938926.db2.gz YPMUVWDDORLBOL-NSHDSACASA-N 0 0 310.195 2.214 10 30 DEEERN N#C[C@H]1CN(C(=O)NCCC2CCCCC2)CCN1C1CC1 ZINC000369233208 227027809 /nfs/dbraw/zinc/02/78/09/227027809.db2.gz ZAQREOUMYFFJHX-INIZCTEOSA-N 0 0 304.438 2.339 10 30 DEEERN Cc1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(C)n1C(C)C ZINC000370968084 227060467 /nfs/dbraw/zinc/06/04/67/227060467.db2.gz JVQUXVLNFKFVBI-MRXNPFEDSA-N 0 0 314.433 2.498 10 30 DEEERN N#C[C@H]1CN(C(=O)Cc2ccccc2Cl)CCN1C1CC1 ZINC000370990747 227061400 /nfs/dbraw/zinc/06/14/00/227061400.db2.gz IMUDGZMMSUWLQX-AWEZNQCLSA-N 0 0 303.793 2.081 10 30 DEEERN N#C[C@H]1CN(C(=O)Cc2c(F)cccc2Cl)CCN1C1CC1 ZINC000370992625 227061654 /nfs/dbraw/zinc/06/16/54/227061654.db2.gz NWQMXTFWMPMURY-LBPRGKRZSA-N 0 0 321.783 2.220 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCCC[C@H]1CC ZINC000290462417 221672311 /nfs/dbraw/zinc/67/23/11/221672311.db2.gz SRHQDTJFGQPXFL-KGLIPLIRSA-N 0 0 306.410 2.321 10 30 DEEERN N#CC1(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)CCCCC1 ZINC000374753612 227139172 /nfs/dbraw/zinc/13/91/72/227139172.db2.gz TTYBPQRKIOMNTP-LSDHHAIUSA-N 0 0 320.433 2.144 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000408017260 227226020 /nfs/dbraw/zinc/22/60/20/227226020.db2.gz LUFBLOWMKCBBIK-KWQFWETISA-N 0 0 302.758 2.450 10 30 DEEERN Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000408399634 227231913 /nfs/dbraw/zinc/23/19/13/227231913.db2.gz JLDHICHIPPSSIO-CQSZACIVSA-N 0 0 316.405 2.272 10 30 DEEERN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000408336511 227232907 /nfs/dbraw/zinc/23/29/07/227232907.db2.gz AYZQLWKRDSAEOM-MNOVXSKESA-N 0 0 302.378 2.210 10 30 DEEERN N#Cc1ccccc1OCC(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000526960303 421341350 /nfs/dbraw/zinc/34/13/50/421341350.db2.gz VPROEXHGSAOKLE-CQSZACIVSA-N 0 0 312.329 2.150 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccccc3)n2)C1 ZINC000627733221 421862545 /nfs/dbraw/zinc/86/25/45/421862545.db2.gz OLUHRWWMGRNAGL-CQSZACIVSA-N 0 0 324.384 2.235 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cc(C)c(C)nn1 ZINC000635261675 421865905 /nfs/dbraw/zinc/86/59/05/421865905.db2.gz IPJRHDIKOTWHJO-UHFFFAOYSA-N 0 0 304.394 2.141 10 30 DEEERN Cn1c2ccc(NC(=O)Cc3cccc(C#N)c3)cc2oc1=O ZINC000530674503 269932793 /nfs/dbraw/zinc/93/27/93/269932793.db2.gz JSCVKKRNIJRLGP-UHFFFAOYSA-N 0 0 307.309 2.184 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCc1ccc(C#N)c(OC)c1 ZINC000362333393 265647558 /nfs/dbraw/zinc/64/75/58/265647558.db2.gz NPLLEQZEHJXOPN-KRWDZBQOSA-N 0 0 302.374 2.412 10 30 DEEERN Cc1c(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)ccn1C ZINC000195002318 424880674 /nfs/dbraw/zinc/88/06/74/424880674.db2.gz DKLPTRPVQNLLCR-SFHVURJKSA-N 0 0 322.412 2.356 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(-c2ccoc2C)on1 ZINC000411252369 424936278 /nfs/dbraw/zinc/93/62/78/424936278.db2.gz FBWYCGWGFVIOJY-UHFFFAOYSA-N 0 0 317.345 2.606 10 30 DEEERN Cc1cc(C#N)nc(NCc2ccc(N3CCCCCC3)nc2)n1 ZINC000374004867 424888987 /nfs/dbraw/zinc/88/89/87/424888987.db2.gz ZVUHRTWSMUXOLL-UHFFFAOYSA-N 0 0 322.416 3.044 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)CCC1 ZINC000376042404 424893800 /nfs/dbraw/zinc/89/38/00/424893800.db2.gz JELUYHBBWWNIPP-ZDUSSCGKSA-N 0 0 300.406 2.511 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NS(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000416623955 424958155 /nfs/dbraw/zinc/95/81/55/424958155.db2.gz ANZIVKMDBDOMFD-FVQBIDKESA-N 0 0 309.431 2.271 10 30 DEEERN C=CCCn1cc(C(=O)Nc2cc(C)n([C@H](C)C3CC3)n2)nn1 ZINC000424765525 424993674 /nfs/dbraw/zinc/99/36/74/424993674.db2.gz SLNPANJLWDIZPM-GFCCVEGCSA-N 0 0 314.393 2.582 10 30 DEEERN C=CCn1c(N)nnc1SCc1cccc(-n2cccn2)c1 ZINC000352350618 425044487 /nfs/dbraw/zinc/04/44/87/425044487.db2.gz SENATRDJYUIZKS-UHFFFAOYSA-N 0 0 312.402 2.524 10 30 DEEERN COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C#N)cn1C ZINC000176666811 267540861 /nfs/dbraw/zinc/54/08/61/267540861.db2.gz CVMZRSRTZUEYBC-UHFFFAOYSA-N 0 0 322.368 2.057 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)C(=O)NCCc1ccsc1 ZINC000178418697 267576857 /nfs/dbraw/zinc/57/68/57/267576857.db2.gz NRYLEVLMCURXPJ-UHFFFAOYSA-N 0 0 313.382 2.226 10 30 DEEERN Cc1ncc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)cc1C#N ZINC000314799786 267651713 /nfs/dbraw/zinc/65/17/13/267651713.db2.gz WXMGMTXJUYRHTF-JTNHKYCSSA-N 0 0 307.419 2.365 10 30 DEEERN N#Cc1cccc(CS(=O)(=O)NCCc2ccsc2)c1 ZINC000192968366 268255317 /nfs/dbraw/zinc/25/53/17/268255317.db2.gz OIHJNFKQIULRPL-UHFFFAOYSA-N 0 0 306.412 2.282 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2nncn2Cc2ccccc2)c1 ZINC000531385318 268278913 /nfs/dbraw/zinc/27/89/13/268278913.db2.gz LKSCMOUWHPWWIC-UHFFFAOYSA-N 0 0 317.352 2.379 10 30 DEEERN N#Cc1cnc(N[C@H](CC(N)=O)c2cccc(Cl)c2)cn1 ZINC000185534377 268312198 /nfs/dbraw/zinc/31/21/98/268312198.db2.gz COSVKPNPGCLGFV-GFCCVEGCSA-N 0 0 301.737 2.030 10 30 DEEERN C[C@H](C(=O)NCC1(Cc2ccccc2)CCC1)n1cnc(C#N)n1 ZINC000524237727 269471828 /nfs/dbraw/zinc/47/18/28/269471828.db2.gz RVORNDSAIZCGSU-CQSZACIVSA-N 0 0 323.400 2.240 10 30 DEEERN CO[C@H]1C[C@@H](C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)N(C)C1 ZINC000328969711 274081914 /nfs/dbraw/zinc/08/19/14/274081914.db2.gz AVWFLVNZRBKUPE-LTIDMASMSA-N 0 0 318.417 2.440 10 30 DEEERN C#CCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000367013699 275379654 /nfs/dbraw/zinc/37/96/54/275379654.db2.gz QAAPWAHVBDMCQN-HUUCEWRRSA-N 0 0 305.809 2.408 10 30 DEEERN CC(=O)c1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)[nH]1 ZINC000408071056 277107659 /nfs/dbraw/zinc/10/76/59/277107659.db2.gz OXERVUVFTDPLQL-DOTOQJQBSA-N 0 0 315.373 2.285 10 30 DEEERN CC(C)(C)OC(=O)N1CCN(c2c(C#N)cccc2C#N)CC1 ZINC000302248341 277188779 /nfs/dbraw/zinc/18/87/79/277188779.db2.gz VGTIVIPRVUNYHV-UHFFFAOYSA-N 0 0 312.373 2.487 10 30 DEEERN CC(C)C(=O)N[C@H]1CCCN(c2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000302221634 277334771 /nfs/dbraw/zinc/33/47/71/277334771.db2.gz SKADIAFPYZAOMA-ZDUSSCGKSA-N 0 0 316.361 2.207 10 30 DEEERN C=CCN1CC[C@@H](Nc2cccc(N(C)C(=O)NCC)c2)C1=O ZINC000354160912 277859329 /nfs/dbraw/zinc/85/93/29/277859329.db2.gz DFGUXKJPYWAXDM-OAHLLOKOSA-N 0 0 316.405 2.051 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000249272194 277916739 /nfs/dbraw/zinc/91/67/39/277916739.db2.gz KRYBZPJLNMHHBQ-KLZNWCGWSA-N 0 0 311.422 2.010 10 30 DEEERN CC(C)c1scnc1NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000329546310 278117645 /nfs/dbraw/zinc/11/76/45/278117645.db2.gz ICDQHIGKPGGWKE-VXGBXAGGSA-N 0 0 324.450 2.217 10 30 DEEERN N#Cc1cc(Br)cnc1N1CCO[C@H](C2CC2)C1 ZINC000450460019 279500130 /nfs/dbraw/zinc/50/01/30/279500130.db2.gz YYJNWWLNFHXTAG-LBPRGKRZSA-N 0 0 308.179 2.331 10 30 DEEERN CC(C)OC(=O)[C@H](C)CNC(=O)NCC1CCC(C#N)CC1 ZINC000440984415 279641067 /nfs/dbraw/zinc/64/10/67/279641067.db2.gz LEKGWKBJXZFSNP-IYXRBSQSSA-N 0 0 309.410 2.203 10 30 DEEERN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC#Cc1ccccc1 ZINC000191486888 280330596 /nfs/dbraw/zinc/33/05/96/280330596.db2.gz PQSRGMVTOSISCX-UHFFFAOYSA-N 0 0 306.277 2.243 10 30 DEEERN Cc1cccc(S(=O)(=O)NC[C@@](C)(O)CCC(C)C)c1C#N ZINC000121081944 281751242 /nfs/dbraw/zinc/75/12/42/281751242.db2.gz IYNNVUXEGZQESU-INIZCTEOSA-N 0 0 324.446 2.332 10 30 DEEERN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCc1cn[nH]c1 ZINC000358193629 294836473 /nfs/dbraw/zinc/83/64/73/294836473.db2.gz KBGMAUUPBMOPHI-SJORKVTESA-N 0 0 323.400 2.434 10 30 DEEERN CC(C)(C)n1cc(CN2CCN(c3cccc(C#N)n3)CC2)cn1 ZINC000174740714 325741375 /nfs/dbraw/zinc/74/13/75/325741375.db2.gz OKYYCWGZEMOJRM-UHFFFAOYSA-N 0 0 324.432 2.227 10 30 DEEERN Cc1cccc(CNC(=O)NCCOc2ccc(C#N)cc2)n1 ZINC000175550742 325744514 /nfs/dbraw/zinc/74/45/14/325744514.db2.gz VMGNJEQUDXWYQA-UHFFFAOYSA-N 0 0 310.357 2.140 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC2(CCOCC2)[C@@H]1C ZINC000556641226 331722182 /nfs/dbraw/zinc/72/21/82/331722182.db2.gz CCWGTZODMYYGEB-ZNMIVQPWSA-N 0 0 308.422 2.321 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cccc2c1CCN2 ZINC000569355830 332029187 /nfs/dbraw/zinc/02/91/87/332029187.db2.gz ZXNMCHWUTINSOR-UHFFFAOYSA-N 0 0 301.390 2.456 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000560566067 332360248 /nfs/dbraw/zinc/36/02/48/332360248.db2.gz PUIWAPGRWXSMGS-SUJAAXHWSA-N 0 0 308.422 2.055 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(Br)cc1OC ZINC000185705890 333370736 /nfs/dbraw/zinc/37/07/36/333370736.db2.gz XIKCHRKPTNCZRC-SNVBAGLBSA-N 0 0 314.179 2.125 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc2c(cc1SC)OCCO2 ZINC000563482258 333612753 /nfs/dbraw/zinc/61/27/53/333612753.db2.gz PIDZFQVMIHZJIO-JTQLQIEISA-N 0 0 324.402 2.238 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000352100577 336194851 /nfs/dbraw/zinc/19/48/51/336194851.db2.gz NFRWERNROVYQPY-UHFFFAOYSA-N 0 0 323.352 2.387 10 30 DEEERN Cc1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc(C)c1F ZINC000367155946 336428026 /nfs/dbraw/zinc/42/80/26/336428026.db2.gz CBACCCJRNLCFFF-OAHLLOKOSA-N 0 0 301.365 2.255 10 30 DEEERN Cc1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc(C)c1F ZINC000367155945 336428034 /nfs/dbraw/zinc/42/80/34/336428034.db2.gz CBACCCJRNLCFFF-HNNXBMFYSA-N 0 0 301.365 2.255 10 30 DEEERN C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000361143531 336740956 /nfs/dbraw/zinc/74/09/56/336740956.db2.gz VHKMWDIRKAQRSV-BBRMVZONSA-N 0 0 313.401 2.394 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@@H](C)[C@H]1CC ZINC000582767688 337140746 /nfs/dbraw/zinc/14/07/46/337140746.db2.gz YAXRIDDWZOCBKX-DGCLKSJQSA-N 0 0 315.425 2.193 10 30 DEEERN C[C@H](C#N)CNC(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000190823180 337292327 /nfs/dbraw/zinc/29/23/27/337292327.db2.gz OGXOJMLTAMSTDD-GFCCVEGCSA-N 0 0 320.824 2.157 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2c(F)cccc2F)nc1 ZINC000584592779 337373536 /nfs/dbraw/zinc/37/35/36/337373536.db2.gz PMWOVRKDIIVYRA-UHFFFAOYSA-N 0 0 303.268 2.040 10 30 DEEERN C[C@H](c1ccc(/C=N/NO)cc1)N(C)CC(=O)OC(C)(C)C ZINC000584642387 337380203 /nfs/dbraw/zinc/38/02/03/337380203.db2.gz HOIPLWLYLCFMIX-YXHQGMJNSA-N 0 0 307.394 2.334 10 30 DEEERN C=CCCCCCNC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000571893460 337581382 /nfs/dbraw/zinc/58/13/82/337581382.db2.gz CFWLYMDDJCCTLM-UHFFFAOYSA-N 0 0 304.390 2.288 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)OCC2(CC#N)CC2)C1 ZINC000174741667 340395479 /nfs/dbraw/zinc/39/54/79/340395479.db2.gz PACDJVZEVPZFDU-LBPRGKRZSA-N 0 0 308.378 2.480 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@H](c2ccccn2)C2CCC2)C1=O ZINC000530204780 340782423 /nfs/dbraw/zinc/78/24/23/340782423.db2.gz XYBXZLSXHKORNL-GJZGRUSLSA-N 0 0 315.373 2.046 10 30 DEEERN COC(C)(C)CN(C)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000541867263 340986522 /nfs/dbraw/zinc/98/65/22/340986522.db2.gz LFSOFFGPTUDKGZ-INIZCTEOSA-N 0 0 312.410 2.131 10 30 DEEERN CC1(C#N)CCN([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 ZINC000543717839 341055100 /nfs/dbraw/zinc/05/51/00/341055100.db2.gz FJGWTESPSOYDIZ-AWEZNQCLSA-N 0 0 315.348 2.083 10 30 DEEERN CC(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)cc1Cl ZINC000132134524 341116915 /nfs/dbraw/zinc/11/69/15/341116915.db2.gz BQOFTUJFMFAUDR-VIFPVBQESA-N 0 0 321.764 2.242 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnn(-c2ccc(F)cc2F)c1C ZINC000545284125 341119213 /nfs/dbraw/zinc/11/92/13/341119213.db2.gz CXHGNADOBOIALY-GFCCVEGCSA-N 0 0 321.327 2.126 10 30 DEEERN N#CC1CCC(CNC(=O)N[C@@H]2Cc3cccc(O)c3C2)CC1 ZINC000567317040 341594680 /nfs/dbraw/zinc/59/46/80/341594680.db2.gz PCBRPHPJFJCTKG-SSDMNJCBSA-N 0 0 313.401 2.489 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000573219657 341721479 /nfs/dbraw/zinc/72/14/79/341721479.db2.gz JLZRSHHKOJNSAU-INIZCTEOSA-N 0 0 322.449 2.124 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000574053102 341747185 /nfs/dbraw/zinc/74/71/85/341747185.db2.gz HJLINRYASGSANT-AWEZNQCLSA-N 0 0 308.422 2.067 10 30 DEEERN C[C@@H]1CCC[C@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000369219651 533848794 /nfs/dbraw/zinc/84/87/94/533848794.db2.gz PFJZVCQERYBNOY-IJEWVQPXSA-N 0 0 304.438 2.194 10 30 DEEERN CS[C@@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000365465298 533883340 /nfs/dbraw/zinc/88/33/40/533883340.db2.gz HVTPMGBLYVJAEJ-HZPDHXFCSA-N 0 0 315.442 2.289 10 30 DEEERN COC(=O)c1ccc(-c2nnn(CC#Cc3ccccc3)n2)cc1 ZINC000188031932 533948724 /nfs/dbraw/zinc/94/87/24/533948724.db2.gz BXDJROCLEONWFK-UHFFFAOYSA-N 0 0 318.336 2.178 10 30 DEEERN COC(=O)c1ccc(CNc2nccnc2C#N)nc1C1CC1 ZINC000302050547 534152554 /nfs/dbraw/zinc/15/25/54/534152554.db2.gz XABHAPXDHXFTQY-UHFFFAOYSA-N 0 0 309.329 2.019 10 30 DEEERN C[C@@H]1Oc2ccc(NC(=O)N[C@H]3CCC[C@@H]3C#N)cc2NC1=O ZINC000408238929 534213443 /nfs/dbraw/zinc/21/34/43/534213443.db2.gz ZHVMZSQPXYVCBM-UMNHJUIQSA-N 0 0 314.345 2.220 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369219569 534256370 /nfs/dbraw/zinc/25/63/70/534256370.db2.gz OPABYJYECWKXFI-OAHLLOKOSA-N 0 0 309.373 2.071 10 30 DEEERN C=C(CC)CNC(=O)NCCc1cnc2c(Cl)cnn2c1 ZINC000455129736 534409775 /nfs/dbraw/zinc/40/97/75/534409775.db2.gz BONOXFXWPDUFMF-UHFFFAOYSA-N 0 0 307.785 2.191 10 30 DEEERN CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000157385100 519375009 /nfs/dbraw/zinc/37/50/09/519375009.db2.gz BYCKBJXWTMZSIT-GDBMZVCRSA-N 0 0 316.401 2.383 10 30 DEEERN C=CCn1c(N(CCCCO)C2CC2)nnc1[C@]1(C)CCCO1 ZINC000453444062 534442015 /nfs/dbraw/zinc/44/20/15/534442015.db2.gz RWYSTKBENKUDOK-KRWDZBQOSA-N 0 0 320.437 2.231 10 30 DEEERN N#CC1(c2ccc(C(=O)N3CC[C@](O)(C(F)(F)F)C3)cc2)CC1 ZINC000180455274 534574581 /nfs/dbraw/zinc/57/45/81/534574581.db2.gz LTIGPNMUHANXOR-OAHLLOKOSA-N 0 0 324.302 2.381 10 30 DEEERN C=C[C@@H]1OCC[C@H]1Nc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000450755239 534610190 /nfs/dbraw/zinc/61/01/90/534610190.db2.gz INDWUBILGHMPIN-OLZOCXBDSA-N 0 0 306.318 2.445 10 30 DEEERN C=C[C@@](C)(CC)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000452256183 534612942 /nfs/dbraw/zinc/61/29/42/534612942.db2.gz STIPWOZNSOUWIM-LRDDRELGSA-N 0 0 307.415 2.276 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NCCCOCCc1ccccc1 ZINC000448747383 534676851 /nfs/dbraw/zinc/67/68/51/534676851.db2.gz JONAYRAQSBNRBO-UHFFFAOYSA-N 0 0 311.385 2.276 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@H](F)CC2CCCCC2)CCN1C1CC1 ZINC000373578067 534737059 /nfs/dbraw/zinc/73/70/59/534737059.db2.gz QOWZDAWRHYZYRM-HZPDHXFCSA-N 0 0 307.413 2.494 10 30 DEEERN C=CCN(CCOC)C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000190709034 526289733 /nfs/dbraw/zinc/28/97/33/526289733.db2.gz KASIVMSBDJYTRB-UHFFFAOYSA-N 0 0 314.389 2.216 10 30 DEEERN CC#CCCCC(=O)N1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000373368561 526293393 /nfs/dbraw/zinc/29/33/93/526293393.db2.gz GLLAKEFDZMKDNN-OAHLLOKOSA-N 0 0 303.406 2.130 10 30 DEEERN C=CCN(CCc1ccco1)S(=O)(=O)c1ccccc1N ZINC000342514017 526329394 /nfs/dbraw/zinc/32/93/94/526329394.db2.gz YTPGAGJZPPUZTB-UHFFFAOYSA-N 0 0 306.387 2.281 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C)n(C)n1 ZINC000341923179 526350297 /nfs/dbraw/zinc/35/02/97/526350297.db2.gz OYBUYSADAOURNY-UHFFFAOYSA-N 0 0 314.345 2.465 10 30 DEEERN CC#CCN(C)CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000339755100 526357473 /nfs/dbraw/zinc/35/74/73/526357473.db2.gz VRALJRLLIZKTEH-UHFFFAOYSA-N 0 0 314.429 2.149 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CC[C@@H](C)C3)cc2C1=O ZINC000444325342 526411084 /nfs/dbraw/zinc/41/10/84/526411084.db2.gz ZTYGKEWFUAOYBU-DGCLKSJQSA-N 0 0 312.369 2.387 10 30 DEEERN CC(=O)N(C)c1cccc(NC(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000330530192 526478231 /nfs/dbraw/zinc/47/82/31/526478231.db2.gz AJYZLOUCAJUOBE-GFCCVEGCSA-N 0 0 318.377 2.462 10 30 DEEERN CC(=O)N(C)c1cccc(NC(=O)NC(C)(C)C(C)(C)O)c1 ZINC000330762624 526478619 /nfs/dbraw/zinc/47/86/19/526478619.db2.gz HXVSCBVLWYVWDL-UHFFFAOYSA-N 0 0 307.394 2.354 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)Cc2ccccc2)C1=O ZINC000357645580 526494178 /nfs/dbraw/zinc/49/41/78/526494178.db2.gz FCFKZJIHIUPUHO-HOCLYGCPSA-N 0 0 300.402 2.111 10 30 DEEERN C=C(C)CN(C)C(=O)[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1 ZINC000368097801 526496783 /nfs/dbraw/zinc/49/67/83/526496783.db2.gz HMHFOKNHFOQPII-LBPRGKRZSA-N 0 0 300.374 2.226 10 30 DEEERN C=C(C)CN(CC)C(=O)CNc1ccc2ccc(=O)n(C)c2c1 ZINC000447408388 526526772 /nfs/dbraw/zinc/52/67/72/526526772.db2.gz OSMOHDOEMGWMBO-UHFFFAOYSA-N 0 0 313.401 2.375 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCCOC1 ZINC000352827095 526556442 /nfs/dbraw/zinc/55/64/42/526556442.db2.gz LZZVYOLXNQSCCP-ZDUSSCGKSA-N 0 0 308.378 2.039 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(C#N)nc1 ZINC000342396945 526559090 /nfs/dbraw/zinc/55/90/90/526559090.db2.gz OVKLGASRCQFTRB-UHFFFAOYSA-N 0 0 311.341 2.257 10 30 DEEERN N#Cc1ccc(Cl)c(S(=O)(=O)NC2(C(F)F)CC2)c1 ZINC000336967550 526634044 /nfs/dbraw/zinc/63/40/44/526634044.db2.gz MAHOBAUDOYDCDE-UHFFFAOYSA-N 0 0 306.721 2.288 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000287850002 526670330 /nfs/dbraw/zinc/67/03/30/526670330.db2.gz DQOCVAALWYUPGM-UHFFFAOYSA-N 0 0 314.360 2.253 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000377233778 526670623 /nfs/dbraw/zinc/67/06/23/526670623.db2.gz NOPVWJRIUFQMCR-UHFFFAOYSA-N 0 0 305.381 2.128 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000289003346 526674605 /nfs/dbraw/zinc/67/46/05/526674605.db2.gz INSWFHIFYJCKOI-ZDUSSCGKSA-N 0 0 308.381 2.046 10 30 DEEERN C#CCCCC(=O)N1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000374970501 526679145 /nfs/dbraw/zinc/67/91/45/526679145.db2.gz ZIQRKSHMHXXYER-CQSZACIVSA-N 0 0 302.374 2.052 10 30 DEEERN C=CCNc1ncc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)s1 ZINC000245927616 526682224 /nfs/dbraw/zinc/68/22/24/526682224.db2.gz JCCDXLQSDFAHQV-TUAOUCFPSA-N 0 0 307.419 2.428 10 30 DEEERN C=C(C)CS(=O)(=O)NCc1ccc(OC)c(OC(F)F)c1 ZINC000189530400 526685040 /nfs/dbraw/zinc/68/50/40/526685040.db2.gz UZIVZKJJXSJRMO-UHFFFAOYSA-N 0 0 321.345 2.292 10 30 DEEERN C=C(C)CS(=O)(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000189724439 526688433 /nfs/dbraw/zinc/68/84/33/526688433.db2.gz BDYDSIWHOQYLNC-CYBMUJFWSA-N 0 0 305.403 2.429 10 30 DEEERN C#CCCCCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191529017 526688980 /nfs/dbraw/zinc/68/89/80/526688980.db2.gz ZTJNVNUEKKLWOT-MRXNPFEDSA-N 0 0 316.376 2.236 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC000364059409 526712860 /nfs/dbraw/zinc/71/28/60/526712860.db2.gz WZDJGIBUESOARX-DZGCQCFKSA-N 0 0 301.390 2.015 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000342312978 526715044 /nfs/dbraw/zinc/71/50/44/526715044.db2.gz GNQNZAZESJLHCJ-ZDUSSCGKSA-N 0 0 318.421 2.483 10 30 DEEERN C=C(C)Cn1c(CCCC)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC000358954816 526729656 /nfs/dbraw/zinc/72/96/56/526729656.db2.gz QARKFBCVQDQOFI-AWEZNQCLSA-N 0 0 319.453 2.254 10 30 DEEERN C=CCOCCNC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000369983684 526778050 /nfs/dbraw/zinc/77/80/50/526778050.db2.gz JRLXLWBZPSBXRY-CVEARBPZSA-N 0 0 304.390 2.409 10 30 DEEERN C=CCOCCNC(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000373424177 526778173 /nfs/dbraw/zinc/77/81/73/526778173.db2.gz XJSMNCFQEOWVAT-UHFFFAOYSA-N 0 0 312.373 2.145 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000437512171 526799827 /nfs/dbraw/zinc/79/98/27/526799827.db2.gz BYVLJVFDLYXTCB-KMFMINBZSA-N 0 0 314.385 2.423 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N(C)c1nncs1 ZINC000183947031 526825380 /nfs/dbraw/zinc/82/53/80/526825380.db2.gz MBFHPAAXMHHHCW-UHFFFAOYSA-N 0 0 305.359 2.388 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCC(C(=O)N(C)C)CC2)cc1 ZINC000248014590 526838208 /nfs/dbraw/zinc/83/82/08/526838208.db2.gz PYPGFEBTBFCXOL-UHFFFAOYSA-N 0 0 316.401 2.192 10 30 DEEERN C=C(Cl)CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000364252199 526889548 /nfs/dbraw/zinc/88/95/48/526889548.db2.gz UXVKLZFANPQBPD-HIFRSBDPSA-N 0 0 322.792 2.083 10 30 DEEERN C=C(Cl)CNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000374276573 526889656 /nfs/dbraw/zinc/88/96/56/526889656.db2.gz CECSHOFLILRJQK-GXTWGEPZSA-N 0 0 321.808 2.228 10 30 DEEERN C=C1CCN(C(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1 ZINC000342095007 526897054 /nfs/dbraw/zinc/89/70/54/526897054.db2.gz ONEXWYPZKGSCAV-LBPRGKRZSA-N 0 0 320.339 2.496 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000427652568 526909548 /nfs/dbraw/zinc/90/95/48/526909548.db2.gz VVOMAAFZRISQPX-QDMKHBRRSA-N 0 0 300.358 2.105 10 30 DEEERN C=CC[C@@H](CC)NC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000341436175 527043935 /nfs/dbraw/zinc/04/39/35/527043935.db2.gz SDPRSEJHIWLNIP-UKRRQHHQSA-N 0 0 321.396 2.124 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)NCCc1ccc2ccccc2n1 ZINC000341850903 527062278 /nfs/dbraw/zinc/06/22/78/527062278.db2.gz UONVHLMGVMVJAD-CQSZACIVSA-N 0 0 313.401 2.261 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000338778827 527067326 /nfs/dbraw/zinc/06/73/26/527067326.db2.gz XGXJKMIFVLSAMY-ABAIWWIYSA-N 0 0 322.380 2.305 10 30 DEEERN C=CCCC(=O)N1CSC[C@H]1C(=O)N(C)Cc1ccco1 ZINC000336890830 527071724 /nfs/dbraw/zinc/07/17/24/527071724.db2.gz NGYITRJCDOKSDS-ZDUSSCGKSA-N 0 0 308.403 2.106 10 30 DEEERN C=CCCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000338665695 527074860 /nfs/dbraw/zinc/07/48/60/527074860.db2.gz WKAGKUFVSLFJKU-KBPBESRZSA-N 0 0 303.406 2.278 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000376620570 527095306 /nfs/dbraw/zinc/09/53/06/527095306.db2.gz GJBXONDMKSHPDI-LBPRGKRZSA-N 0 0 318.373 2.489 10 30 DEEERN C#CCOc1ccc(CNC(=O)N(C)[C@H](CO)CC(C)C)cc1 ZINC000297516885 527101593 /nfs/dbraw/zinc/10/15/93/527101593.db2.gz NLAUUUKFRBJUNA-INIZCTEOSA-N 0 0 318.417 2.247 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)Cn1cncn1 ZINC000413212745 527111530 /nfs/dbraw/zinc/11/15/30/527111530.db2.gz YZIOVNHQNHRHDV-ZBFHGGJFSA-N 0 0 313.405 2.153 10 30 DEEERN C#CCSCCNC(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000121451906 527142649 /nfs/dbraw/zinc/14/26/49/527142649.db2.gz HMPKMIRQPPAOCW-OAHLLOKOSA-N 0 0 303.431 2.249 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@]2(CCOC2)C1 ZINC000367846815 527160401 /nfs/dbraw/zinc/16/04/01/527160401.db2.gz GAWDVFAUMIMYAZ-HKUYNNGSSA-N 0 0 312.413 2.443 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@H](CO)C1 ZINC000298134803 527173549 /nfs/dbraw/zinc/17/35/49/527173549.db2.gz BTWMVNFARNTOFR-RCCFBDPRSA-N 0 0 314.429 2.471 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000410686462 527175964 /nfs/dbraw/zinc/17/59/64/527175964.db2.gz GYRMJEVWWWSNJD-FSZRXZPDSA-N 0 0 302.418 2.082 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@@H](SC)C(C)(C)C ZINC000343944681 527177423 /nfs/dbraw/zinc/17/74/23/527177423.db2.gz RDSFAWQZAKZEOA-GFCCVEGCSA-N 0 0 300.468 2.305 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCc1ccc(F)cc1C ZINC000288524588 527177646 /nfs/dbraw/zinc/17/76/46/527177646.db2.gz CZTPVDRTGYDGNM-UHFFFAOYSA-N 0 0 306.381 2.217 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](C)COc1cccc(F)c1 ZINC000284865804 527177741 /nfs/dbraw/zinc/17/77/41/527177741.db2.gz BVFXEGLWNHLVQU-ZDUSSCGKSA-N 0 0 322.380 2.134 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000339704107 527179034 /nfs/dbraw/zinc/17/90/34/527179034.db2.gz XASBYNKPUYDAPC-INIZCTEOSA-N 0 0 300.402 2.085 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccccc1OCCF ZINC000296657293 527180331 /nfs/dbraw/zinc/18/03/31/527180331.db2.gz XCZQUMIKWZVNMB-UHFFFAOYSA-N 0 0 308.353 2.398 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1cccc(-c2cccnc2)c1 ZINC000364067289 527197296 /nfs/dbraw/zinc/19/72/96/527197296.db2.gz PKPCQQIUKBATAU-QGZVFWFLSA-N 0 0 311.385 2.485 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000185872833 527207079 /nfs/dbraw/zinc/20/70/79/527207079.db2.gz HMIRQDOKHWSOAL-GFCCVEGCSA-N 0 0 305.765 2.397 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000337078857 527208504 /nfs/dbraw/zinc/20/85/04/527208504.db2.gz TUPOIBQOHAIKJL-CYBMUJFWSA-N 0 0 322.364 2.348 10 30 DEEERN C=CCCCNC(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000448390393 527218077 /nfs/dbraw/zinc/21/80/77/527218077.db2.gz ULAWOBVEWLRYAW-UHFFFAOYSA-N 0 0 311.323 2.180 10 30 DEEERN C=CCCCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000344452389 527224030 /nfs/dbraw/zinc/22/40/30/527224030.db2.gz XDGUSFGTRUFPEQ-WBVHZDCISA-N 0 0 316.401 2.297 10 30 DEEERN C=CC[C@H]1N(C(=O)c2cc(=O)[nH]c(N(C)C)n2)CCCC1(C)C ZINC000330437205 527226297 /nfs/dbraw/zinc/22/62/97/527226297.db2.gz RNJKBAHCNODNQE-CYBMUJFWSA-N 0 0 318.421 2.455 10 30 DEEERN C=CCc1cc(C(=O)N2C[C@H](O)CC[C@H]2C)cc(OC)c1OC ZINC000422012371 527231806 /nfs/dbraw/zinc/23/18/06/527231806.db2.gz QKGJFUYFEOEHMV-IUODEOHRSA-N 0 0 319.401 2.418 10 30 DEEERN C=CCCCNS(=O)(=O)c1cc(F)ccc1OCCOC ZINC000447943961 527233552 /nfs/dbraw/zinc/23/35/52/527233552.db2.gz YUZYXVRZBINKRL-UHFFFAOYSA-N 0 0 317.382 2.095 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)CCCO ZINC000443263073 527255811 /nfs/dbraw/zinc/25/58/11/527255811.db2.gz AYGBSRJXMSBHPB-UHFFFAOYSA-N 0 0 318.417 2.318 10 30 DEEERN C=CCn1c(-c2ncccn2)nnc1N(C)Cc1ccc(C)o1 ZINC000417459585 527282860 /nfs/dbraw/zinc/28/28/60/527282860.db2.gz NQFMVOQXASPPTI-UHFFFAOYSA-N 0 0 310.361 2.459 10 30 DEEERN C=CCn1c(C(C)C)nnc1N1CCC[C@H](NC(=O)CCC)C1 ZINC000337819295 527290978 /nfs/dbraw/zinc/29/09/78/527290978.db2.gz QRGHDOWRHBIHND-AWEZNQCLSA-N 0 0 319.453 2.473 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN2CC(F)(F)C[C@H]2CO)c1C ZINC000364590618 527293232 /nfs/dbraw/zinc/29/32/32/527293232.db2.gz IXZUSGZWVPEPPJ-ZDUSSCGKSA-N 0 0 312.360 2.176 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000410841963 527301103 /nfs/dbraw/zinc/30/11/03/527301103.db2.gz JEPJFEJPZUOPKE-SFHVURJKSA-N 0 0 318.392 2.350 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1CCC[C@H](NC(=O)CCC)C1 ZINC000337867895 527306097 /nfs/dbraw/zinc/30/60/97/527306097.db2.gz RSZWKCRQWIBAKO-AWEZNQCLSA-N 0 0 317.437 2.227 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC000282335937 527306562 /nfs/dbraw/zinc/30/65/62/527306562.db2.gz RFAIDDOZYIERIN-GFCCVEGCSA-N 0 0 317.418 2.376 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000351075723 527317082 /nfs/dbraw/zinc/31/70/82/527317082.db2.gz QMEKLEQIDKMGTG-UONOGXRCSA-N 0 0 319.453 2.143 10 30 DEEERN CC(=O)c1ccc2c(c1)CCN(C(=O)CSCC#N)CC2 ZINC000372304129 527339891 /nfs/dbraw/zinc/33/98/91/527339891.db2.gz BGTZZYLAGBLLKX-UHFFFAOYSA-N 0 0 302.399 2.073 10 30 DEEERN C=CCCOCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000155410601 527361375 /nfs/dbraw/zinc/36/13/75/527361375.db2.gz HEBWBXKUESJUOT-OAHLLOKOSA-N 0 0 316.401 2.057 10 30 DEEERN C=CCn1c2ccccc2nc1S[C@H]1CON(CC)C1=O ZINC000412975580 527362246 /nfs/dbraw/zinc/36/22/46/527362246.db2.gz GBOIUPBWGHDJKA-ZDUSSCGKSA-N 0 0 303.387 2.477 10 30 DEEERN CC(=O)c1cccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 ZINC000369231640 527364381 /nfs/dbraw/zinc/36/43/81/527364381.db2.gz MQMORVBEXWCSCK-INIZCTEOSA-N 0 0 312.373 2.093 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000362025066 527378522 /nfs/dbraw/zinc/37/85/22/527378522.db2.gz KMOSNJSJFYUXQT-KBPBESRZSA-N 0 0 305.374 2.314 10 30 DEEERN C#C[C@H](NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000282102306 527395862 /nfs/dbraw/zinc/39/58/62/527395862.db2.gz DFXMXLATDXEFBL-WFASDCNBSA-N 0 0 322.430 2.108 10 30 DEEERN C=CCC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)O2)c1ccccc1 ZINC000338207710 527422181 /nfs/dbraw/zinc/42/21/81/527422181.db2.gz UXLQUSMKHFLHKE-IXDOHACOSA-N 0 0 301.386 2.363 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(c2ccc(OC)c(OC)c2OC)C1=O ZINC000414356393 527461172 /nfs/dbraw/zinc/46/11/72/527461172.db2.gz DRTASQHHAIRPTN-JTQLQIEISA-N 0 0 320.345 2.103 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000413869007 527470226 /nfs/dbraw/zinc/47/02/26/527470226.db2.gz HKTXAFWJYFMRMH-HUUCEWRRSA-N 0 0 321.396 2.031 10 30 DEEERN C=CCC[C@H](NC(=O)N1CCO[C@H]([C@@H](C)O)C1)c1ccccc1 ZINC000413403471 527477484 /nfs/dbraw/zinc/47/74/84/527477484.db2.gz OBCXFZZJJAUDFT-PVAVHDDUSA-N 0 0 318.417 2.485 10 30 DEEERN CC(C)C(=O)N1CCC[C@H]1C(=O)NCC1CCC(C#N)CC1 ZINC000407975821 527478629 /nfs/dbraw/zinc/47/86/29/527478629.db2.gz RJWMFPAKCVHEGV-NRXISQOPSA-N 0 0 305.422 2.080 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@](C)(O)CCc1ccccc1 ZINC000424905318 527496894 /nfs/dbraw/zinc/49/68/94/527496894.db2.gz CDPVBGFKUHIWSV-BQFCYCMXSA-N 0 0 303.402 2.078 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000424899758 527497707 /nfs/dbraw/zinc/49/77/07/527497707.db2.gz DIFYVQRWAIEZIB-JSGCOSHPSA-N 0 0 320.345 2.314 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccccc1SC ZINC000425179136 527498834 /nfs/dbraw/zinc/49/88/34/527498834.db2.gz OUMHLUIYUBKCFA-RYUDHWBXSA-N 0 0 313.444 2.278 10 30 DEEERN C=CCCn1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)nn1 ZINC000424558252 527518172 /nfs/dbraw/zinc/51/81/72/527518172.db2.gz IXMICFUHPGEDTD-SNVBAGLBSA-N 0 0 302.300 2.269 10 30 DEEERN C=CCN(C(=O)NCCCNC(=O)c1ccccc1)C1CC1 ZINC000357577254 527538850 /nfs/dbraw/zinc/53/88/50/527538850.db2.gz YDTPJIPRSNRIDB-UHFFFAOYSA-N 0 0 301.390 2.167 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CCC[C@H]1COc1cccnc1C ZINC000416357333 527539761 /nfs/dbraw/zinc/53/97/61/527539761.db2.gz DFMAYEFZTZPKQG-WMLDXEAASA-N 0 0 304.390 2.087 10 30 DEEERN C=CCN(C)c1nnc(CCc2ccco2)n1C[C@@H]1CCCO1 ZINC000339013631 527578779 /nfs/dbraw/zinc/57/87/79/527578779.db2.gz OJRIZSMUFDEVGD-HNNXBMFYSA-N 0 0 316.405 2.458 10 30 DEEERN C=CCN(C)c1nnc(-c2ncccc2C)n1C[C@@H]1CCCO1 ZINC000339011598 527579118 /nfs/dbraw/zinc/57/91/18/527579118.db2.gz BMNVCBUNILWKGC-AWEZNQCLSA-N 0 0 313.405 2.450 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N[C@@H]1COc2ccc(F)cc2C1 ZINC000292953025 527620796 /nfs/dbraw/zinc/62/07/96/527620796.db2.gz HGRYCFSJSKAJQC-WMLDXEAASA-N 0 0 307.365 2.474 10 30 DEEERN CCCCCCCC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000377973087 528121125 /nfs/dbraw/zinc/12/11/25/528121125.db2.gz ZIMBGPDDAGSLGP-HNNXBMFYSA-N 0 0 310.438 2.243 10 30 DEEERN CC(C)c1nc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cs1 ZINC000370985332 528259083 /nfs/dbraw/zinc/25/90/83/528259083.db2.gz MOWCHBNIIIEYBL-GFCCVEGCSA-N 0 0 304.419 2.079 10 30 DEEERN CCN(CCC#N)C(=O)CNc1cc(-n2cccn2)ccc1C ZINC000190892681 528364121 /nfs/dbraw/zinc/36/41/21/528364121.db2.gz GDDRJXNKICTRBV-UHFFFAOYSA-N 0 0 311.389 2.355 10 30 DEEERN CC(C)c1nncn1CCNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187130545 528482817 /nfs/dbraw/zinc/48/28/17/528482817.db2.gz CZXXLBJSPMMVAL-UHFFFAOYSA-N 0 0 323.400 2.121 10 30 DEEERN CC(C)C[C@H](C)OCCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000372695348 528483456 /nfs/dbraw/zinc/48/34/56/528483456.db2.gz WYSYLDHFOBFJNU-GOEBONIOSA-N 0 0 307.438 2.026 10 30 DEEERN CC(C)n1c(CC2CCCC2)nnc1N1CCN(C)[C@@H](C#N)C1 ZINC000333228806 528539073 /nfs/dbraw/zinc/53/90/73/528539073.db2.gz NRVVQOUHVNSEQP-HNNXBMFYSA-N 0 0 316.453 2.236 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](c2nccs2)C1 ZINC000249900053 528693192 /nfs/dbraw/zinc/69/31/92/528693192.db2.gz SVMYVCKVHLVLMZ-ZIAGYGMSSA-N 0 0 320.462 2.331 10 30 DEEERN CCOS(=O)(=O)/C=C/[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000390822235 529087931 /nfs/dbraw/zinc/08/79/31/529087931.db2.gz ZAUDTJMQKKDGEU-RJCSOLBVSA-N 0 0 305.396 2.266 10 30 DEEERN CC[C@@H](C#N)NC(=O)Cc1cc(Br)ccc1OC ZINC000173380768 529267594 /nfs/dbraw/zinc/26/75/94/529267594.db2.gz XEEGWTQFYAKWHP-NSHDSACASA-N 0 0 311.179 2.419 10 30 DEEERN C=CCCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000276109565 538555712 /nfs/dbraw/zinc/55/57/12/538555712.db2.gz HLNAOFYLSMSWTQ-AWEZNQCLSA-N 0 0 304.415 2.236 10 30 DEEERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCC1(C#N)CCOCC1 ZINC000183913485 625321028 /nfs/dbraw/zinc/32/10/28/625321028.db2.gz VSEFUOWIRSHEDI-UHFFFAOYSA-N 0 0 304.302 2.380 10 30 DEEERN Cn1nccc1CNC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000188296473 625471776 /nfs/dbraw/zinc/47/17/76/625471776.db2.gz SXKLVTDZEFDDOH-UHFFFAOYSA-N 0 0 307.275 2.107 10 30 DEEERN CC(C)[C@H](C#N)OC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000255632944 625573536 /nfs/dbraw/zinc/57/35/36/625573536.db2.gz ZQNMVXBKCZDUFF-PIZKADEWSA-N 0 0 322.386 2.163 10 30 DEEERN C=C[C@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000187567651 622831830 /nfs/dbraw/zinc/83/18/30/622831830.db2.gz ZCDVMVYNUPIYJU-JTQLQIEISA-N 0 0 315.416 2.264 10 30 DEEERN C=CCCOCC(=O)NCc1cc(Br)ccc1O ZINC000804734575 623212465 /nfs/dbraw/zinc/21/24/65/623212465.db2.gz RKDQAQZABDVOCM-UHFFFAOYSA-N 0 0 314.179 2.364 10 30 DEEERN C=CCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1C ZINC000255091736 623434025 /nfs/dbraw/zinc/43/40/25/623434025.db2.gz CPJLHWMFYNAUBI-ZDUSSCGKSA-N 0 0 317.414 2.249 10 30 DEEERN Brc1ccc2[nH]cc(CN=Nc3nc[nH]n3)c2c1 ZINC000807996540 623740590 /nfs/dbraw/zinc/74/05/90/623740590.db2.gz XWLKEBJLTTZAAX-UHFFFAOYSA-N 0 0 305.139 2.495 10 30 DEEERN C#CC[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(C)C ZINC000177723428 625072698 /nfs/dbraw/zinc/07/26/98/625072698.db2.gz WAIHEDNDJMTVCJ-DZGCQCFKSA-N 0 0 303.358 2.219 10 30 DEEERN C#CCCCCNC(=O)c1ccc2c(c1)C(=O)N(CC=C)C2=O ZINC000155829476 625144376 /nfs/dbraw/zinc/14/43/76/625144376.db2.gz UTVKZNBZZNKDJK-UHFFFAOYSA-N 0 0 310.353 2.002 10 30 DEEERN N#Cc1ccccc1/C=C\C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000255841609 625818779 /nfs/dbraw/zinc/81/87/79/625818779.db2.gz DZTKABMHDSGKNH-SREVYHEPSA-N 0 0 316.324 2.186 10 30 DEEERN Cn1ccnc1C(=O)C(C#N)=C(O)C=Cc1ccnc(Cl)c1 ZINC000255866297 625901315 /nfs/dbraw/zinc/90/13/15/625901315.db2.gz KBDLXUZSXOGRIY-QUCGXOGASA-N 0 0 314.732 2.073 10 30 DEEERN COC(=O)C1CCC(C(=O)Nc2cc(C#N)ccc2[O-])CC1 ZINC000179926188 625919756 /nfs/dbraw/zinc/91/97/56/625919756.db2.gz XSSLKDYFMUUYLU-UHFFFAOYSA-N 0 0 302.330 2.182 10 30 DEEERN Cc1nn(C)c(C)c1C(=O)/C=C\c1cnc2ccc(C#N)cn12 ZINC000299736877 633237086 /nfs/dbraw/zinc/23/70/86/633237086.db2.gz MSTNKOPDXGPXNO-WAYWQWQTSA-N 0 0 305.341 2.452 10 30 DEEERN C=C(COC(=O)Cc1cc(C(C)=O)ccc1OC)C(=O)OCC ZINC000734025639 633318059 /nfs/dbraw/zinc/31/80/59/633318059.db2.gz YWOOCFLUJBDVSO-UHFFFAOYSA-N 0 0 320.341 2.103 10 30 DEEERN CC(=O)c1ccccc1OCCOC(=O)c1ccc(C#N)nc1 ZINC000734601934 633405583 /nfs/dbraw/zinc/40/55/83/633405583.db2.gz PROOCSONOXJFGD-UHFFFAOYSA-N 0 0 310.309 2.392 10 30 DEEERN N#CCOc1ccc(Cl)cc1CN1CCCC[C@@H]1C(N)=O ZINC000735306477 633500645 /nfs/dbraw/zinc/50/06/45/633500645.db2.gz NYPYGGXYPSLCMR-CYBMUJFWSA-N 0 0 307.781 2.082 10 30 DEEERN N#Cc1cnn(CCOC(=O)CC/C=C/c2ccccc2)c1N ZINC000739177148 633583858 /nfs/dbraw/zinc/58/38/58/633583858.db2.gz ZEZSFNIHZQNEHX-XBXARRHUSA-N 0 0 310.357 2.374 10 30 DEEERN C[C@H](C#N)CNC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000251950824 636277776 /nfs/dbraw/zinc/27/77/76/636277776.db2.gz VDPPGWHVCWRMME-AGIUHOORSA-N 0 0 324.425 2.233 10 30 DEEERN C=CC[C@H](NC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1)c1ccncc1 ZINC000739022393 637560184 /nfs/dbraw/zinc/56/01/84/637560184.db2.gz ZXBZWOKBJZWFEJ-ILXRZTDVSA-N 0 0 316.405 2.042 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=S)NC[C@H]1CCCO1 ZINC000741502935 637990008 /nfs/dbraw/zinc/99/00/08/637990008.db2.gz PXOCDQYCSCAONU-GFCCVEGCSA-N 0 0 308.378 2.303 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=S)NC[C@H]1CCCO1 ZINC000741511054 637991097 /nfs/dbraw/zinc/99/10/97/637991097.db2.gz UJPQDQSSHXRPEL-GFCCVEGCSA-N 0 0 308.378 2.303 10 30 DEEERN C#CCOc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC000741519350 637992683 /nfs/dbraw/zinc/99/26/83/637992683.db2.gz NQTVFUIXAWDZGW-INIZCTEOSA-N 0 0 323.348 2.268 10 30 DEEERN C#Cc1cccc(NC(=S)N2CCC[C@H](C(=O)OC)C2)c1 ZINC000743015152 638111944 /nfs/dbraw/zinc/11/19/44/638111944.db2.gz WFPZMVOTOPSEBQ-ZDUSSCGKSA-N 0 0 302.399 2.250 10 30 DEEERN C#C[C@H](C)OC(=O)CCn1cnc2sc(C)c(C)c2c1=O ZINC000744177791 638198840 /nfs/dbraw/zinc/19/88/40/638198840.db2.gz ABHUXLBHQRYIAH-VIFPVBQESA-N 0 0 304.371 2.030 10 30 DEEERN COc1ccc(CNC(=O)NCc2ccc(C)nc2)cc1C#N ZINC000746710704 638371668 /nfs/dbraw/zinc/37/16/68/638371668.db2.gz NWGHASPZHQYXGL-UHFFFAOYSA-N 0 0 310.357 2.270 10 30 DEEERN COc1ccc(CNC(=O)N2CCOC(C)(C)[C@@H]2C)cc1C#N ZINC000746781548 638377798 /nfs/dbraw/zinc/37/77/98/638377798.db2.gz OIEZBYALKFEYIB-LBPRGKRZSA-N 0 0 317.389 2.276 10 30 DEEERN COc1ccc(CNC(=O)c2cnn(C)c2C2CC2)cc1C#N ZINC000747063550 638404040 /nfs/dbraw/zinc/40/40/40/638404040.db2.gz CRKNGFOKJRNMLS-UHFFFAOYSA-N 0 0 310.357 2.108 10 30 DEEERN COc1ccc(CNC(=O)c2ccc3[nH]c(=O)oc3c2)cc1C#N ZINC000747063520 638404066 /nfs/dbraw/zinc/40/40/66/638404066.db2.gz CBHIPMWSKPWGKM-UHFFFAOYSA-N 0 0 323.308 2.344 10 30 DEEERN C#CC[C@@H](OC(=O)Cc1nn(C)c(=O)c2ccccc12)C(C)C ZINC000747192406 638416941 /nfs/dbraw/zinc/41/69/41/638416941.db2.gz CYIPIZGSKNJKHR-MRXNPFEDSA-N 0 0 312.369 2.067 10 30 DEEERN C=C1CCN(S(=O)(=O)c2ccc(/C=C\C(=O)OC)cc2)CC1 ZINC000747269282 638424712 /nfs/dbraw/zinc/42/47/12/638424712.db2.gz MOJHWSBCLFITLI-YVMONPNESA-N 0 0 321.398 2.214 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc(/C=C\C(=O)OC)cc1 ZINC000747275362 638425788 /nfs/dbraw/zinc/42/57/88/638425788.db2.gz NTEVOVGXUHRKKX-XFXZXTDPSA-N 0 0 323.414 2.460 10 30 DEEERN COCCN(CC(C)C)C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747430191 638436550 /nfs/dbraw/zinc/43/65/50/638436550.db2.gz JSHHRUJVBJRTRH-UHFFFAOYSA-N 0 0 319.405 2.381 10 30 DEEERN COc1ccc(CNC(=O)Cc2n[nH]c3ccccc23)cc1C#N ZINC000747446884 638438713 /nfs/dbraw/zinc/43/87/13/638438713.db2.gz LHVFCNKNNWFRKZ-UHFFFAOYSA-N 0 0 320.352 2.302 10 30 DEEERN COc1ccc(CNC(=O)c2ccc3n[nH]cc3c2)cc1C#N ZINC000747446740 638438819 /nfs/dbraw/zinc/43/88/19/638438819.db2.gz FDEUJLBFYQWGPO-UHFFFAOYSA-N 0 0 306.325 2.373 10 30 DEEERN COc1ccc(CNC(=O)C(=O)Nc2cccc(C)c2)cc1C#N ZINC000747496536 638443363 /nfs/dbraw/zinc/44/33/63/638443363.db2.gz NKBAHQOBVDCZLJ-UHFFFAOYSA-N 0 0 323.352 2.130 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccon1 ZINC000747596782 638453500 /nfs/dbraw/zinc/45/35/00/638453500.db2.gz QLJIFZOXQLXNLM-UHFFFAOYSA-N 0 0 316.317 2.481 10 30 DEEERN CCNc1nc(C(=O)NCc2ccc(OC)c(C#N)c2)cs1 ZINC000747613723 638454282 /nfs/dbraw/zinc/45/42/82/638454282.db2.gz DKTFGNBSBKTRIN-UHFFFAOYSA-N 0 0 316.386 2.385 10 30 DEEERN COC(=O)/C(C)=C\COC(=O)CSCc1ccc(C#N)cc1 ZINC000748179491 638523280 /nfs/dbraw/zinc/52/32/80/638523280.db2.gz PUKVPEIYVZNXCZ-GHXNOFRVSA-N 0 0 319.382 2.454 10 30 DEEERN COc1ccc(C(=O)OCC(=O)c2cccc(C#N)c2)cc1O ZINC000748301359 638538748 /nfs/dbraw/zinc/53/87/48/638538748.db2.gz DLCWAWRFDBFPAL-UHFFFAOYSA-N 0 0 311.293 2.312 10 30 DEEERN C#CCCCS(=O)(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000805006310 639154730 /nfs/dbraw/zinc/15/47/30/639154730.db2.gz MXNXWIZCZCKPGI-UHFFFAOYSA-N 0 0 308.378 2.182 10 30 DEEERN C#CCOCCNC(=O)Nc1nn(C2CCCCC2)cc1C ZINC000752904203 639232384 /nfs/dbraw/zinc/23/23/84/639232384.db2.gz KRXJTFZQLVFUNF-UHFFFAOYSA-N 0 0 304.394 2.468 10 30 DEEERN C#CCCCS(=O)(=O)N1CC(c2nc3ccccc3s2)C1 ZINC000805035188 639270586 /nfs/dbraw/zinc/27/05/86/639270586.db2.gz FSHGQCTZDNVHPE-UHFFFAOYSA-N 0 0 320.439 2.439 10 30 DEEERN Cc1ccc(NC(=O)C#Cc2ccccc2)cc1S(C)(=O)=O ZINC000089201436 639695402 /nfs/dbraw/zinc/69/54/02/639695402.db2.gz ATGDSQPQWIVTPT-UHFFFAOYSA-N 0 0 313.378 2.389 10 30 DEEERN COc1cccc([C@H](C#N)NC(=O)CCOCC(C)C)c1OC ZINC000729431897 640743908 /nfs/dbraw/zinc/74/39/08/640743908.db2.gz CFRJQQWBULYCKB-AWEZNQCLSA-N 0 0 320.389 2.447 10 30 DEEERN Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CCO[C@@H](C#N)C1 ZINC000729978903 640866236 /nfs/dbraw/zinc/86/62/36/640866236.db2.gz XNUIGQYVRJMFEL-ZDUSSCGKSA-N 0 0 315.304 2.154 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(OCC)cc1 ZINC000730105970 641473040 /nfs/dbraw/zinc/47/30/40/641473040.db2.gz SGAAUGHFBMRCOZ-YOEHRIQHSA-N 0 0 300.402 2.360 10 30 DEEERN Cc1n[nH]nc1C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000805546787 642058001 /nfs/dbraw/zinc/05/80/01/642058001.db2.gz QXEBKLLCPBDDSW-UHFFFAOYSA-N 0 0 306.709 2.026 10 30 DEEERN C#CCOCCNC(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000801854555 642528066 /nfs/dbraw/zinc/52/80/66/642528066.db2.gz NCEJXLOFOXFPLP-UHFFFAOYSA-N 0 0 301.268 2.180 10 30 DEEERN C#CCOc1cccc(OC(=O)CO[C@H](C)c2nccn2C)c1 ZINC000805878070 643651845 /nfs/dbraw/zinc/65/18/45/643651845.db2.gz YUKASLFCUSRSMA-CYBMUJFWSA-N 0 0 314.341 2.115 10 30 DEEERN C=C(C)[C@@H](CC(=O)O[C@@H](C)C(=O)NCc1ccccn1)OCC ZINC000805953077 643942119 /nfs/dbraw/zinc/94/21/19/643942119.db2.gz JGHFSWOUHZVKIT-DZGCQCFKSA-N 0 0 320.389 2.001 10 30 DEEERN C=CCCCCCCNC(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000806004902 644184429 /nfs/dbraw/zinc/18/44/29/644184429.db2.gz VCXLPTGEXQSDIN-AWEZNQCLSA-N 0 0 309.410 2.359 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)Nc1cc(OC)cc(OC)c1C ZINC000800590894 645290324 /nfs/dbraw/zinc/29/03/24/645290324.db2.gz AKNDXVZSWLMAST-HNNXBMFYSA-N 0 0 302.374 2.048 10 30 DEEERN C[C@@H](C(=O)Oc1cnc2ccc(F)cc2c1)n1cnc(C#N)n1 ZINC000801027949 645332676 /nfs/dbraw/zinc/33/26/76/645332676.db2.gz UOQLONJXPVUPHS-VIFPVBQESA-N 0 0 311.276 2.004 10 30 DEEERN C#CC[C@@H](NC(=O)N1CCO[C@@H](C(F)F)C1)c1ccccc1 ZINC000801045821 645334759 /nfs/dbraw/zinc/33/47/59/645334759.db2.gz JEPPBFISSPEMRQ-ZIAGYGMSSA-N 0 0 308.328 2.427 10 30 DEEERN CCc1csc(CC(=O)NCc2ccc(OC)c(C#N)c2)n1 ZINC000801176518 645348753 /nfs/dbraw/zinc/34/87/53/645348753.db2.gz ISXDISDBRBAFMR-UHFFFAOYSA-N 0 0 315.398 2.445 10 30 DEEERN CC#CC(=O)N[C@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000801187965 645349845 /nfs/dbraw/zinc/34/98/45/645349845.db2.gz SJBZNBBIDVUWHD-XJKSGUPXSA-N 0 0 310.319 2.379 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](O)c1cc(C)cc(C)c1 ZINC000801536565 645411062 /nfs/dbraw/zinc/41/10/62/645411062.db2.gz JKAHRMCVPWFISI-BRWVUGGUSA-N 0 0 303.402 2.434 10 30 DEEERN C#CCOc1ccccc1NC(=O)Nc1nnc(OC)s1 ZINC000801746749 645437330 /nfs/dbraw/zinc/43/73/30/645437330.db2.gz CJKBNHDFTOKUDL-UHFFFAOYSA-N 0 0 304.331 2.203 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCCO[C@H](C)C#N ZINC000801830233 645445860 /nfs/dbraw/zinc/44/58/60/645445860.db2.gz RPUDEXYZAKYYPJ-CJNGLKHVSA-N 0 0 316.357 2.434 10 30 DEEERN C=CCOc1ccccc1C(=O)OC1CN(CCOCC)C1 ZINC000802772742 645555029 /nfs/dbraw/zinc/55/50/29/645555029.db2.gz DLPYWAJJQJDSIO-UHFFFAOYSA-N 0 0 305.374 2.129 10 30 DEEERN Cc1ncc(COC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cn1 ZINC000803425240 645651390 /nfs/dbraw/zinc/65/13/90/645651390.db2.gz HBFHKZBDHLBRFM-INIZCTEOSA-N 0 0 319.361 2.090 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cc2n(n1)CCCO2 ZINC000803522045 645667897 /nfs/dbraw/zinc/66/78/97/645667897.db2.gz WDEDIDPYWCQKNK-OAHLLOKOSA-N 0 0 309.369 2.030 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)Nc1cc(C(C)(C)C)no1 ZINC000803698264 645681531 /nfs/dbraw/zinc/68/15/31/645681531.db2.gz KNDDPDPQVMPUGD-UHFFFAOYSA-N 0 0 316.357 2.117 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C1=C(C)C(C)(C)OC1=O ZINC000804453040 645773266 /nfs/dbraw/zinc/77/32/66/645773266.db2.gz UBUGWVUTLUSBML-HNNXBMFYSA-N 0 0 311.381 2.389 10 30 DEEERN C#Cc1cncc(C(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000806540115 645843601 /nfs/dbraw/zinc/84/36/01/645843601.db2.gz OHNFZEYVRFYWGP-UHFFFAOYSA-N 0 0 307.353 2.152 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000806765393 645868747 /nfs/dbraw/zinc/86/87/47/645868747.db2.gz YJWHYMGLJQWLAZ-UHFFFAOYSA-N 0 0 318.323 2.025 10 30 DEEERN C#Cc1cncc(C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000806900864 645884931 /nfs/dbraw/zinc/88/49/31/645884931.db2.gz DNBLHOVJFAMION-MRXNPFEDSA-N 0 0 308.385 2.128 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000807033925 645901975 /nfs/dbraw/zinc/90/19/75/645901975.db2.gz GBMWHKMPQPLQBD-WMLDXEAASA-N 0 0 311.381 2.316 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](CO)CC=C ZINC000807465312 645953520 /nfs/dbraw/zinc/95/35/20/645953520.db2.gz ATKZKUPKSJZXLU-SJORKVTESA-N 0 0 300.402 2.105 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CC1(O)CCC1 ZINC000807470170 645954081 /nfs/dbraw/zinc/95/40/81/645954081.db2.gz OZSNHYMJCFQOQH-INIZCTEOSA-N 0 0 300.402 2.177 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@](C)(O)C(C)C ZINC000807466956 645954173 /nfs/dbraw/zinc/95/41/73/645954173.db2.gz HVQBZOPPXJIIIF-AEFFLSMTSA-N 0 0 302.418 2.327 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@]1(C)CO ZINC000807470731 645955690 /nfs/dbraw/zinc/95/56/90/645955690.db2.gz UPMTUIKXQZUKOC-AEFFLSMTSA-N 0 0 300.402 2.177 10 30 DEEERN C=CCCCCNC(=O)C(=O)N[C@@H]1CCCc2nc(C)sc21 ZINC000807643448 645974182 /nfs/dbraw/zinc/97/41/82/645974182.db2.gz GNMAAROOWXOSIM-CYBMUJFWSA-N 0 0 321.446 2.418 10 30 DEEERN C=C(Br)CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000164817541 646466525 /nfs/dbraw/zinc/46/65/25/646466525.db2.gz HUJGVWAHMMKXJZ-YPMHNXCESA-N 0 0 317.227 2.232 10 30 DEEERN C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1)C1CCOCC1 ZINC000165496578 646500467 /nfs/dbraw/zinc/50/04/67/646500467.db2.gz QWFXAXYPTIXEEU-DOMZBBRYSA-N 0 0 300.358 2.397 10 30 DEEERN C#CCCOC(=O)[C@@H]1CC(=O)N(c2ccccc2OCC)C1 ZINC000170718908 646661515 /nfs/dbraw/zinc/66/15/15/646661515.db2.gz AYQZJROORYKPHP-CYBMUJFWSA-N 0 0 301.342 2.005 10 30 DEEERN C#CCSCCNC(=O)N[C@H](C)COCc1ccccc1 ZINC000173283240 646764198 /nfs/dbraw/zinc/76/41/98/646764198.db2.gz IDCZZJYZJGSVIK-CQSZACIVSA-N 0 0 306.431 2.257 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2cccnc2Cl)cc1 ZINC000173886846 646781929 /nfs/dbraw/zinc/78/19/29/646781929.db2.gz WGXWUSGHLZUDTL-UHFFFAOYSA-N 0 0 301.733 2.415 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2cccc(Cl)n2)cc1 ZINC000173903139 646783668 /nfs/dbraw/zinc/78/36/68/646783668.db2.gz FWLBOFBDAOQTMF-UHFFFAOYSA-N 0 0 301.733 2.415 10 30 DEEERN C#CCOc1cccc(OC(=O)c2cnn3ccc(C)nc23)c1 ZINC000730497275 647246980 /nfs/dbraw/zinc/24/69/80/647246980.db2.gz BXHPORHRUNDOJL-UHFFFAOYSA-N 0 0 307.309 2.269 10 30 DEEERN C#C[C@@H](OC(=O)[C@H]1CCCN1C(=O)Cc1cccs1)C1CC1 ZINC000152705954 647251575 /nfs/dbraw/zinc/25/15/75/647251575.db2.gz ICHXRMHPIKDMIH-HUUCEWRRSA-N 0 0 317.410 2.237 10 30 DEEERN C#CCOc1ccc(C(=O)N[C@H](C(=O)OC)c2ccccc2)cc1 ZINC000153148743 647362007 /nfs/dbraw/zinc/36/20/07/647362007.db2.gz KDVBDXQKSQBOEE-KRWDZBQOSA-N 0 0 323.348 2.343 10 30 DEEERN C#CCOc1cccc([C@@H](C)OC(=O)CNC(=O)CCC)c1 ZINC000730701329 647382802 /nfs/dbraw/zinc/38/28/02/647382802.db2.gz JVKBIQSWGCFHNI-CYBMUJFWSA-N 0 0 303.358 2.219 10 30 DEEERN C#Cc1ccc(C(=O)OCc2noc(Cc3ccccc3)n2)cn1 ZINC000731723673 647503574 /nfs/dbraw/zinc/50/35/74/647503574.db2.gz HQHQOJVULWJDKW-UHFFFAOYSA-N 0 0 319.320 2.394 10 30 DEEERN C=C(Cl)COC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000731736599 647504518 /nfs/dbraw/zinc/50/45/18/647504518.db2.gz UQTKFNABBXQOQP-UHFFFAOYSA-N 0 0 309.749 2.488 10 30 DEEERN Cc1cccc(CNC(=O)COC(=O)c2sccc2C#N)c1 ZINC000732332482 647561867 /nfs/dbraw/zinc/56/18/67/647561867.db2.gz JOOGHRGDEHDQRU-UHFFFAOYSA-N 0 0 314.366 2.401 10 30 DEEERN N#C[C@@H]1CN(C(=S)Nc2ccccc2F)CCN1C1CC1 ZINC000732625591 647632977 /nfs/dbraw/zinc/63/29/77/647632977.db2.gz KASTUJISTGJGEC-GFCCVEGCSA-N 0 0 304.394 2.195 10 30 DEEERN Cc1ccc2c(c1)[C@H](NC(=O)N1CCN(C3CC3)[C@H](C#N)C1)CC2 ZINC000732677757 647638440 /nfs/dbraw/zinc/63/84/40/647638440.db2.gz XLIKNHBPXXQQMN-SJLPKXTDSA-N 0 0 324.428 2.364 10 30 DEEERN N#C[C@@H]1CN(Cc2c(O)ccc3ccncc32)CCN1C1CC1 ZINC000732673141 647640018 /nfs/dbraw/zinc/64/00/18/647640018.db2.gz WDVBCLLRADOYEZ-OAHLLOKOSA-N 0 0 308.385 2.113 10 30 DEEERN C[C@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccc(C#N)cc1 ZINC000732675467 647640602 /nfs/dbraw/zinc/64/06/02/647640602.db2.gz YYMDUYYFZVOQNT-GUYCJALGSA-N 0 0 323.400 2.001 10 30 DEEERN N#C[C@H]1CN(C(=O)Nc2cccc(F)c2F)CCN1C1CC1 ZINC000732699036 647643410 /nfs/dbraw/zinc/64/34/10/647643410.db2.gz UKTYJGUAJLASRJ-NSHDSACASA-N 0 0 306.316 2.169 10 30 DEEERN CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000153856504 647838166 /nfs/dbraw/zinc/83/81/66/647838166.db2.gz BZUWLJOEIRQMBK-CJNGLKHVSA-N 0 0 301.390 2.078 10 30 DEEERN C[C@H](C#N)NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000154311062 647981532 /nfs/dbraw/zinc/98/15/32/647981532.db2.gz SJFMPFIKSAPIOM-CYBMUJFWSA-N 0 0 307.353 2.112 10 30 DEEERN N#Cc1ccc([C@@H](O)COc2cc(Cl)ccc2C(N)=O)cc1 ZINC000154623214 648050418 /nfs/dbraw/zinc/05/04/18/648050418.db2.gz IVHKPJLRJMQHRG-AWEZNQCLSA-N 0 0 316.744 2.423 10 30 DEEERN C#CCSCCNC(=O)N(C)CCOc1ccc(C)cc1 ZINC000154856769 648117055 /nfs/dbraw/zinc/11/70/55/648117055.db2.gz LOMOQTHGBZXDRD-UHFFFAOYSA-N 0 0 306.431 2.382 10 30 DEEERN C=CCC[C@H](OC(=O)c1cn(CC2(C)COC2)nn1)C1CC1 ZINC000185314023 649497100 /nfs/dbraw/zinc/49/71/00/649497100.db2.gz POHQFDVRMIPLLU-AWEZNQCLSA-N 0 0 305.378 2.216 10 30 DEEERN C#CCCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000733302753 649537468 /nfs/dbraw/zinc/53/74/68/649537468.db2.gz NXALEIPKDOJONZ-UHFFFAOYSA-N 0 0 318.720 2.229 10 30 DEEERN C#CCCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000733344328 649548911 /nfs/dbraw/zinc/54/89/11/649548911.db2.gz XVWNESPIDGZKMC-UHFFFAOYSA-N 0 0 303.431 2.062 10 30 DEEERN C#CCCNC(=O)NCc1cc(CC=C)c(OC)c(OC)c1 ZINC000733355316 649553470 /nfs/dbraw/zinc/55/34/70/649553470.db2.gz CHLIWAKTHYVKJX-UHFFFAOYSA-N 0 0 302.374 2.255 10 30 DEEERN COc1cccc([C@@H]2C[C@H]2C(=O)[C@@H](C#N)C(=O)N2CCCC2)c1 ZINC000106983072 651405079 /nfs/dbraw/zinc/40/50/79/651405079.db2.gz MLZBXESLBHUGAY-ARFHVFGLSA-N 0 0 312.369 2.130 10 30 DEEERN COc1cccc([C@@H]2C[C@@H]2C(=O)[C@@H](C#N)C(=O)N2CCCC2)c1 ZINC000106983064 651405120 /nfs/dbraw/zinc/40/51/20/651405120.db2.gz MLZBXESLBHUGAY-HRCADAONSA-N 0 0 312.369 2.130 10 30 DEEERN CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H](C)COC)ccc1OC ZINC000113111335 651643274 /nfs/dbraw/zinc/64/32/74/651643274.db2.gz AQTJOLAHSNBLTR-GXTWGEPZSA-N 0 0 320.389 2.275 10 30 DEEERN C=C(C)CNC(=S)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000018164009 683857244 /nfs/dbraw/zinc/85/72/44/683857244.db2.gz KAXNQUPPZVCEFT-LBPRGKRZSA-N 0 0 301.419 2.369 10 30 DEEERN C[C@H](NC(=O)c1ccco1)C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 ZINC000041496951 683890613 /nfs/dbraw/zinc/89/06/13/683890613.db2.gz BUMTUGIHSUNKOQ-WDEREUQCSA-N 0 0 322.324 2.151 10 30 DEEERN CC(C)C(=O)N1CCC[C@H]1C(=O)OCc1ccc(C#N)cc1 ZINC000079393197 683972583 /nfs/dbraw/zinc/97/25/83/683972583.db2.gz HTEZZCKSKPDQTD-HNNXBMFYSA-N 0 0 300.358 2.248 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Oc1cccc(C(=O)NC2CC2)c1 ZINC000081031361 683986893 /nfs/dbraw/zinc/98/68/93/683986893.db2.gz MMDPLFYMXKTERX-UHFFFAOYSA-N 0 0 309.325 2.008 10 30 DEEERN C=CCc1cc(OC)ccc1OC(=O)c1cc(C(N)=O)cn1C ZINC000119898940 684089104 /nfs/dbraw/zinc/08/91/04/684089104.db2.gz GZBXULCZDFRFJZ-UHFFFAOYSA-N 0 0 314.341 2.080 10 30 DEEERN C[C@H](C#N)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000125187554 684142973 /nfs/dbraw/zinc/14/29/73/684142973.db2.gz FSFUOLMVVANCDK-OCCSQVGLSA-N 0 0 317.389 2.151 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000126367061 684154080 /nfs/dbraw/zinc/15/40/80/684154080.db2.gz CENGKUXQPDIODN-CHWSQXEVSA-N 0 0 309.410 2.394 10 30 DEEERN C#Cc1cccc(N(C)C(=O)CNC(=O)c2ccc(OC)cc2)c1 ZINC000127885608 684166901 /nfs/dbraw/zinc/16/69/01/684166901.db2.gz IXLLHJDAIMXWCD-UHFFFAOYSA-N 0 0 322.364 2.069 10 30 DEEERN C[C@H](C#N)Oc1ccc(CN2CCN(c3cccnn3)CC2)cc1 ZINC000127951129 684167614 /nfs/dbraw/zinc/16/76/14/684167614.db2.gz JZELGHQPBDYMKA-OAHLLOKOSA-N 0 0 323.400 2.090 10 30 DEEERN N#C[C@@H](C(=O)CSCC(F)(F)F)C(=O)NC1CCCC1 ZINC000156152531 684284791 /nfs/dbraw/zinc/28/47/91/684284791.db2.gz CPOJZLBXQOYZTO-VIFPVBQESA-N 0 0 308.325 2.050 10 30 DEEERN C=C[C@H](C)OC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000187531824 684340073 /nfs/dbraw/zinc/34/00/73/684340073.db2.gz QVTWPBKUWQXQQQ-LBPRGKRZSA-N 0 0 311.403 2.448 10 30 DEEERN Cc1coc(SCCS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000188327569 684354289 /nfs/dbraw/zinc/35/42/89/684354289.db2.gz XLIOVQKFLDWXAI-UHFFFAOYSA-N 0 0 308.384 2.421 10 30 DEEERN C[C@H](C#N)Oc1ccccc1NS(=O)(=O)N1CCC[C@H](C)C1 ZINC000245639695 685115808 /nfs/dbraw/zinc/11/58/08/685115808.db2.gz AODQCKPMLJZPEU-QWHCGFSZSA-N 0 0 323.418 2.366 10 30 DEEERN CN(C)c1ccc([C@H]2CCCN2Cc2cc(C#N)n(C)c2)nn1 ZINC000886027421 691986805 /nfs/dbraw/zinc/98/68/05/691986805.db2.gz XLHLHBVKNJOLOX-MRXNPFEDSA-N 0 0 310.405 2.090 10 30 DEEERN CC(=O)N1C[C@H](Nc2ncccc2C#N)CC[C@H]1C(F)(F)F ZINC000886039204 691990374 /nfs/dbraw/zinc/99/03/74/691990374.db2.gz WSWBGYPWFIHPIT-NEPJUHHUSA-N 0 0 312.295 2.307 10 30 DEEERN COc1cccc(C#CCOC(=O)CCOC[C@H]2CCCO2)c1 ZINC000176592144 782719927 /nfs/dbraw/zinc/71/99/27/782719927.db2.gz QFTJVRDIQRZUCS-QGZVFWFLSA-N 0 0 318.369 2.176 10 30 DEEERN CN(CC#N)S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000588450592 777213683 /nfs/dbraw/zinc/21/36/83/777213683.db2.gz DAFKFKBHRQHBJH-YVMONPNESA-N 0 0 315.192 2.205 10 30 DEEERN C[C@](O)(CNOCCC(F)(F)F)C(F)(F)C(F)(F)F ZINC000724035544 777226030 /nfs/dbraw/zinc/22/60/30/777226030.db2.gz FEFXIETXPFQMGA-YFKPBYRVSA-N 0 0 305.165 2.409 10 30 DEEERN CO[C@@H]1CC[C@H]1N(C)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000724119717 777245649 /nfs/dbraw/zinc/24/56/49/777245649.db2.gz BZPICNRQCNQWII-VXGBXAGGSA-N 0 0 314.794 2.010 10 30 DEEERN N#Cc1sc(NC2C[C@H]3CC[C@@H](C2)S3(=O)=O)nc1Cl ZINC000724325716 777276373 /nfs/dbraw/zinc/27/63/73/777276373.db2.gz YEMBCMUOXZKVEU-IEESLHIDSA-N 0 0 317.823 2.188 10 30 DEEERN C=C(COC(=O)[C@@H](c1ccccc1)N(C)CC)C(=O)OCC ZINC000745097829 784669513 /nfs/dbraw/zinc/66/95/13/784669513.db2.gz LIBMUNGBKKEWBG-OAHLLOKOSA-N 0 0 305.374 2.342 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000745231624 784699205 /nfs/dbraw/zinc/69/92/05/784699205.db2.gz KLJMZGAYAYDFDK-UFGOTCBOSA-N 0 0 309.312 2.302 10 30 DEEERN COc1ccc(CNC(=O)c2cnn3ccccc23)cc1C#N ZINC000746924856 786546236 /nfs/dbraw/zinc/54/62/36/786546236.db2.gz DQJULDWCFCFKLS-UHFFFAOYSA-N 0 0 306.325 2.145 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1csc(C(=O)OC)n1 ZINC000721387599 787319368 /nfs/dbraw/zinc/31/93/68/787319368.db2.gz ITIYCAREYVASFX-UHFFFAOYSA-N 0 0 308.281 2.120 10 30 DEEERN C=CCNc1ncc(C(=O)N[C@H](CC)c2noc(C)n2)s1 ZINC000129531011 796836722 /nfs/dbraw/zinc/83/67/22/796836722.db2.gz SCZLEEOIPBKFCG-SECBINFHSA-N 0 0 307.379 2.314 10 30 DEEERN N#C[C@@]1(F)CCN(C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000800014802 799295686 /nfs/dbraw/zinc/29/56/86/799295686.db2.gz DQBQIXOHZPXIMK-ZFWWWQNUSA-N 0 0 307.756 2.454 10 30 DEEERN N#CC1CCN(C(=O)NCc2ccnc(OCC3CC3)c2)CC1 ZINC000067482123 1079892359 /nfs/dbraw/zinc/89/23/59/1079892359.db2.gz HUKDIMGGFGMJGP-UHFFFAOYSA-N 0 0 314.389 2.316 10 30 DEEERN CC1CC(C#N)(C(=O)NCCOC(F)(F)C(F)(F)F)C1 ZINC000720335386 1088203505 /nfs/dbraw/zinc/20/35/05/1088203505.db2.gz GUZMWGVJZCAYRG-UHFFFAOYSA-N 0 0 300.227 2.214 10 30 DEEERN N#Cc1ccccc1NC(=O)[C@@H]1NC(=O)O[C@@H]1c1ccccc1 ZINC000074695056 185009886 /nfs/dbraw/zinc/00/98/86/185009886.db2.gz KRDFEYJMNXNSTN-HUUCEWRRSA-N 0 0 307.309 2.346 10 30 DEEERN N#Cc1ccccc1NC(=O)[C@H]1NC(=O)O[C@H]1c1ccccc1 ZINC000074695059 185010057 /nfs/dbraw/zinc/01/00/57/185010057.db2.gz KRDFEYJMNXNSTN-GJZGRUSLSA-N 0 0 307.309 2.346 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000278348897 214107870 /nfs/dbraw/zinc/10/78/70/214107870.db2.gz ZLJQISGIRWUICM-HUUCEWRRSA-N 0 0 304.346 2.235 10 30 DEEERN C=CCn1c(-c2cn(C)nn2)nnc1N1CCCC2(CC2)CC1 ZINC000624840288 365567244 /nfs/dbraw/zinc/56/72/44/365567244.db2.gz OPABFIYLEVCBPA-UHFFFAOYSA-N 0 0 313.409 2.030 10 30 DEEERN C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCOCC2(CC2)C1 ZINC000624841205 365567362 /nfs/dbraw/zinc/56/73/62/365567362.db2.gz DHNXTOOBJJLOTA-ZIAGYGMSSA-N 0 0 318.421 2.321 10 30 DEEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(F)cc1C#N ZINC000177930775 282104672 /nfs/dbraw/zinc/10/46/72/282104672.db2.gz QFMJPRAWMHSTOF-CYBMUJFWSA-N 0 0 314.324 2.254 10 30 DEEERN C[C@]1(C#N)CCCN(C(=O)Cn2cc(-c3ccccc3)nn2)C1 ZINC000612243075 361772597 /nfs/dbraw/zinc/77/25/97/361772597.db2.gz WTIKQFBNEALXRB-QGZVFWFLSA-N 0 0 309.373 2.097 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(-c2cccnc2)nn1CCO ZINC000278449961 214161768 /nfs/dbraw/zinc/16/17/68/214161768.db2.gz XRCRKENICDVZJB-CYBMUJFWSA-N 0 0 314.389 2.478 10 30 DEEERN C=CC[C@H]1CCCN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000625028596 365621977 /nfs/dbraw/zinc/62/19/77/365621977.db2.gz VNWHCJMRKZGIAK-DZGCQCFKSA-N 0 0 305.422 2.138 10 30 DEEERN Cc1nn(CCS(=O)(=O)c2cccc(C#N)c2)c(C)c1C ZINC000163134762 197613312 /nfs/dbraw/zinc/61/33/12/197613312.db2.gz YITNNFWUAAIQES-UHFFFAOYSA-N 0 0 303.387 2.154 10 30 DEEERN Cc1ncn(Cc2cc(F)cc(C#N)c2)c(=O)c1Br ZINC000163411436 197629059 /nfs/dbraw/zinc/62/90/59/197629059.db2.gz IQLOBWVGWKIDJT-UHFFFAOYSA-N 0 0 322.137 2.373 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1cc2ccccc2[nH]1 ZINC000612681963 361891457 /nfs/dbraw/zinc/89/14/57/361891457.db2.gz LHNKTXRGQYEJNO-QGZVFWFLSA-N 0 0 313.401 2.298 10 30 DEEERN C[C@@H](CNc1cccc(Br)c1C#N)[S@](C)=O ZINC000165011253 197667704 /nfs/dbraw/zinc/66/77/04/197667704.db2.gz FRAZZYOQEKYDBF-ZKANADHPSA-N 0 0 301.209 2.500 10 30 DEEERN CC(C)c1nnsc1C(=O)Nc1ccccc1C#CC[NH3+] ZINC000087443184 185225215 /nfs/dbraw/zinc/22/52/15/185225215.db2.gz HSTLCINEYBAETK-UHFFFAOYSA-N 0 0 300.387 2.224 10 30 DEEERN CC[C@H](C#N)S(=O)(=O)Nc1ccc(N)cc1C(F)(F)F ZINC000088467923 185252075 /nfs/dbraw/zinc/25/20/75/185252075.db2.gz GXZDMAOUTRIBKG-MRVPVSSYSA-N 0 0 307.297 2.331 10 30 DEEERN CC[C@@H](C#N)S(=O)(=O)NCc1cc(Br)cs1 ZINC000088474315 185252368 /nfs/dbraw/zinc/25/23/68/185252368.db2.gz QGJVXPHKDSHCSU-VIFPVBQESA-N 0 0 323.237 2.232 10 30 DEEERN N#Cc1ccc(CS(=O)(=O)c2cc(N)cc(F)c2)c(F)c1 ZINC000165800239 197682385 /nfs/dbraw/zinc/68/23/85/197682385.db2.gz ITKCQHMDWSQXFK-UHFFFAOYSA-N 0 0 308.309 2.393 10 30 DEEERN C=C(CC)CNS(=O)(=O)C[C@H](Cc1ccc(F)cc1)OC ZINC000625246928 365695959 /nfs/dbraw/zinc/69/59/59/365695959.db2.gz NTKCHGOVUYPBAU-HNNXBMFYSA-N 0 0 315.410 2.269 10 30 DEEERN CN(Cc1csc(C#CCO)c1)C(=O)CCC(F)(F)F ZINC000088834235 185266521 /nfs/dbraw/zinc/26/65/21/185266521.db2.gz NIMCKZMCTRBPCF-UHFFFAOYSA-N 0 0 305.321 2.393 10 30 DEEERN O=C(CCC(F)(F)F)NCc1ccc(C#CCCO)s1 ZINC000088834246 185266591 /nfs/dbraw/zinc/26/65/91/185266591.db2.gz SYBAUTLZHSKFKX-UHFFFAOYSA-N 0 0 305.321 2.441 10 30 DEEERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CCC[C@H]2C#N)C1 ZINC000408330793 529633204 /nfs/dbraw/zinc/63/32/04/529633204.db2.gz ODEYJLSEPQGUJU-ZQDZILKHSA-N 0 0 305.422 2.080 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000613137104 362015087 /nfs/dbraw/zinc/01/50/87/362015087.db2.gz BDVSSUKEIDHRPH-ILXRZTDVSA-N 0 0 310.438 2.167 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000613137105 362015341 /nfs/dbraw/zinc/01/53/41/362015341.db2.gz BDVSSUKEIDHRPH-KKUMJFAQSA-N 0 0 310.438 2.167 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000613245574 362056298 /nfs/dbraw/zinc/05/62/98/362056298.db2.gz HDRBNQXWTAKFDD-BBWFWOEESA-N 0 0 322.449 2.123 10 30 DEEERN C=CCN([C@@H](C)COC)S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625276543 365710213 /nfs/dbraw/zinc/71/02/13/365710213.db2.gz NQJHPLZTNQCJKR-NSHDSACASA-N 0 0 319.373 2.485 10 30 DEEERN C=CC[C@@H]1CCCN(S(=O)(=O)C[C@@H](OCC)C2CC2)C1 ZINC000625278035 365710921 /nfs/dbraw/zinc/71/09/21/365710921.db2.gz KKGHJMYYIJHXFG-UKRRQHHQSA-N 0 0 301.452 2.419 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNc1cccc(F)c1 ZINC000613466764 362120542 /nfs/dbraw/zinc/12/05/42/362120542.db2.gz BAMASUBPVGRJSV-MRXNPFEDSA-N 0 0 321.396 2.215 10 30 DEEERN N#Cc1ccc(CN2CCO[C@]3(CCOC3)C2)c(OC(F)F)c1 ZINC000613584658 362154202 /nfs/dbraw/zinc/15/42/02/362154202.db2.gz STZCLGKZFDMZEI-MRXNPFEDSA-N 0 0 324.327 2.151 10 30 DEEERN C[C@@H](NS(=O)(=O)CCCCC#N)[C@@H]1COc2ccccc21 ZINC000167597929 197711466 /nfs/dbraw/zinc/71/14/66/197711466.db2.gz OQTJMHYWJSOQJY-OCCSQVGLSA-N 0 0 308.403 2.164 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)c1ccc(Cl)cn1 ZINC000613766757 362203925 /nfs/dbraw/zinc/20/39/25/362203925.db2.gz QURJKQBDNRKOII-QMTHXVAHSA-N 0 0 309.797 2.383 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 ZINC000625350805 365742347 /nfs/dbraw/zinc/74/23/47/365742347.db2.gz RFKCLPAVUHGYBR-GFCCVEGCSA-N 0 0 318.398 2.115 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC000625355549 365745591 /nfs/dbraw/zinc/74/55/91/365745591.db2.gz RTRVAQKUDALMDS-VIFPVBQESA-N 0 0 323.340 2.026 10 30 DEEERN C=CCN(CCOC)C(=O)CCc1cc(OC)c(O)c(OC)c1 ZINC000613934362 362248428 /nfs/dbraw/zinc/24/84/28/362248428.db2.gz UEEDBBIJVNRQES-UHFFFAOYSA-N 0 0 323.389 2.003 10 30 DEEERN C=CCN(C(=O)C(=O)Nc1ncc(C(F)(F)F)s1)C1CC1 ZINC000291659895 404467926 /nfs/dbraw/zinc/46/79/26/404467926.db2.gz FOJASAZRIDXHLF-UHFFFAOYSA-N 0 0 319.308 2.277 10 30 DEEERN CNC(=O)[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)C(C)C ZINC000178818188 529897304 /nfs/dbraw/zinc/89/73/04/529897304.db2.gz KNUXDBNTUPPOKL-GJZGRUSLSA-N 0 0 316.405 2.101 10 30 DEEERN CCCn1cc(C(=O)Nc2nc3c(cc2C#N)CCCC3)nn1 ZINC000614298770 362342402 /nfs/dbraw/zinc/34/24/02/362342402.db2.gz AVALVOFRVUUCCJ-UHFFFAOYSA-N 0 0 310.361 2.086 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000614477928 362393800 /nfs/dbraw/zinc/39/38/00/362393800.db2.gz VQPFLBJIRNECPD-QWHCGFSZSA-N 0 0 302.365 2.399 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC=C(c2ccncc2)C1 ZINC000614796424 362463381 /nfs/dbraw/zinc/46/33/81/362463381.db2.gz XGRMFSUAYKCRBN-QGZVFWFLSA-N 0 0 313.401 2.168 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](c2ccncc2)C1 ZINC000614818323 362469308 /nfs/dbraw/zinc/46/93/08/362469308.db2.gz MSKOMNUMPZLNJQ-IAGOWNOFSA-N 0 0 315.417 2.259 10 30 DEEERN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C#N)cn2)c1 ZINC000107436994 185480722 /nfs/dbraw/zinc/48/07/22/185480722.db2.gz YEEGZFAGJIBIHS-NSHDSACASA-N 0 0 311.341 2.461 10 30 DEEERN N#Cc1cccc(CS(=O)(=O)N[C@@H]2COc3ccccc32)c1 ZINC000108399419 185511059 /nfs/dbraw/zinc/51/10/59/185511059.db2.gz YKAXZCKMNBGXIB-OAHLLOKOSA-N 0 0 314.366 2.111 10 30 DEEERN CCc1nc2n(n1)C[C@H](Nc1c(F)cc(C#N)cc1F)CC2 ZINC000108948780 185542540 /nfs/dbraw/zinc/54/25/40/185542540.db2.gz CAONKVXLIDWBHL-SNVBAGLBSA-N 0 0 303.316 2.417 10 30 DEEERN N#C[C@]1(F)CCN(C(=O)Nc2ccc(N3CCCC3)nc2)C1 ZINC000615527179 362627751 /nfs/dbraw/zinc/62/77/51/362627751.db2.gz KJOMLVGKWKUSCG-OAHLLOKOSA-N 0 0 303.341 2.151 10 30 DEEERN Cc1noc([C@H]2CN(c3c(F)cc(C#N)cc3F)CCN2C)n1 ZINC000284682838 282414003 /nfs/dbraw/zinc/41/40/03/282414003.db2.gz XIMZORPLYFGDQR-CYBMUJFWSA-N 0 0 319.315 2.021 10 30 DEEERN CC(=O)N(C)c1cccc(NC(=O)N2CC[C@](F)(C#N)C2)c1 ZINC000615538147 362631898 /nfs/dbraw/zinc/63/18/98/362631898.db2.gz FAAPLIRFTJPORI-HNNXBMFYSA-N 0 0 304.325 2.139 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1cc(C)ccc1F ZINC000615951718 362736636 /nfs/dbraw/zinc/73/66/36/362736636.db2.gz JHXNSJMJBIDLOV-MRXNPFEDSA-N 0 0 306.381 2.264 10 30 DEEERN N#Cc1ccc(CNC(=O)NCCOC(F)(F)F)c(F)c1 ZINC000616042222 362761402 /nfs/dbraw/zinc/76/14/02/362761402.db2.gz UCHROBXATRBZBD-UHFFFAOYSA-N 0 0 305.231 2.033 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CC[C@H](c2cccnc2)C1 ZINC000625663993 365863826 /nfs/dbraw/zinc/86/38/26/365863826.db2.gz XBDHJRFBQRCJTO-HNNXBMFYSA-N 0 0 315.417 2.116 10 30 DEEERN C=CC[C@@H]1CCN(CCS(=O)(=O)c2cccc(OC)c2)C1 ZINC000625701988 365875143 /nfs/dbraw/zinc/87/51/43/365875143.db2.gz VMOWJBUUVPLGIL-CQSZACIVSA-N 0 0 309.431 2.367 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C1CC(OC(C)(C)C)C1 ZINC000616382485 362842936 /nfs/dbraw/zinc/84/29/36/362842936.db2.gz JRZGIPRQVZVZIK-NRXISQOPSA-N 0 0 310.438 2.262 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000616414158 362850228 /nfs/dbraw/zinc/85/02/28/362850228.db2.gz KFQMGASYNDANEE-YQQAZPJKSA-N 0 0 304.365 2.211 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1C ZINC000616526546 362882070 /nfs/dbraw/zinc/88/20/70/362882070.db2.gz SWVIECTUTPXNQJ-BBWFWOEESA-N 0 0 300.402 2.438 10 30 DEEERN CS(=O)(=O)N1c2ccccc2NC[C@@H]1c1cccc(C#N)c1 ZINC000616685572 362909484 /nfs/dbraw/zinc/90/94/84/362909484.db2.gz RARGNZDEWZOYDL-MRXNPFEDSA-N 0 0 313.382 2.491 10 30 DEEERN CCOCCN(CC)C(=O)NCCOc1ccc(C#N)cc1 ZINC000080468782 192160027 /nfs/dbraw/zinc/16/00/27/192160027.db2.gz FQFFINOVMDEPQD-UHFFFAOYSA-N 0 0 305.378 2.005 10 30 DEEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000083741693 192380156 /nfs/dbraw/zinc/38/01/56/192380156.db2.gz LHUCSWHZXZVWNL-HNNXBMFYSA-N 0 0 324.388 2.135 10 30 DEEERN N#C[C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000084251494 192417210 /nfs/dbraw/zinc/41/72/10/192417210.db2.gz QBKAGRFSJQFIBZ-NHYWBVRUSA-N 0 0 307.371 2.314 10 30 DEEERN N#C[C@H]1c2cc(OCc3ccccc3)ccc2C(=O)N1CCO ZINC000071682608 191006710 /nfs/dbraw/zinc/00/67/10/191006710.db2.gz OCZQOGBEFCYCFK-KRWDZBQOSA-N 0 0 308.337 2.278 10 30 DEEERN C#CCn1ncc(N[C@@H](C)CC(C)C)c(Br)c1=O ZINC000133622760 186000451 /nfs/dbraw/zinc/00/04/51/186000451.db2.gz XTGJBPNNXBIJFO-JTQLQIEISA-N 0 0 312.211 2.486 10 30 DEEERN Cc1c(C#CCO)cccc1C(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000133646757 186002871 /nfs/dbraw/zinc/00/28/71/186002871.db2.gz NGGURPQKINDDJX-KBPBESRZSA-N 0 0 303.427 2.305 10 30 DEEERN CNC(=O)CO/N=C(/c1cc2ccncc2[nH]1)c1ccccc1 ZINC000145859576 186037804 /nfs/dbraw/zinc/03/78/04/186037804.db2.gz AAQBCRFMRRONNV-HEHNFIMWSA-N 0 0 308.341 2.078 10 30 DEEERN C[C@H]1CCC[C@H](C)N1NC(=O)c1ccc(C#CCCO)s1 ZINC000149849845 186053127 /nfs/dbraw/zinc/05/31/27/186053127.db2.gz AKYYESFVVOUGSE-STQMWFEESA-N 0 0 306.431 2.390 10 30 DEEERN N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)c1 ZINC000150750528 186063171 /nfs/dbraw/zinc/06/31/71/186063171.db2.gz YRLONNCNSZQDEJ-LLVKDONJSA-N 0 0 316.311 2.173 10 30 DEEERN C#C[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000186007533 186230855 /nfs/dbraw/zinc/23/08/55/186230855.db2.gz CLJFCDDPHQUYGM-GOEBONIOSA-N 0 0 314.385 2.173 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1nnn(C(C)(C)C)n1 ZINC000617043749 363007663 /nfs/dbraw/zinc/00/76/63/363007663.db2.gz DOJRKSKECWTKFD-OLZOCXBDSA-N 0 0 305.426 2.222 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cn(CC2(C)COC2)nn1 ZINC000617042981 363008160 /nfs/dbraw/zinc/00/81/60/363008160.db2.gz XWUJXVLECMANAY-KBPBESRZSA-N 0 0 318.421 2.179 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CN1CCN(C2CC2)C1=O ZINC000617044782 363008222 /nfs/dbraw/zinc/00/82/22/363008222.db2.gz RWYJGKIPYMNYEN-DZGCQCFKSA-N 0 0 305.422 2.138 10 30 DEEERN N#C[C@H](NC(=O)c1cc2c(c(Br)c1)OCO2)C1CC1 ZINC000171725506 197975101 /nfs/dbraw/zinc/97/51/01/197975101.db2.gz TYYXDXPFFGDVKP-JTQLQIEISA-N 0 0 323.146 2.210 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000617264827 363070242 /nfs/dbraw/zinc/07/02/42/363070242.db2.gz PYJQLQYELKALFY-AWEZNQCLSA-N 0 0 312.373 2.005 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000172347471 198083744 /nfs/dbraw/zinc/08/37/44/198083744.db2.gz GJTKUNGMRQLOKM-UHFFFAOYSA-N 0 0 324.764 2.432 10 30 DEEERN C=CCCC1(CNC(=O)C[C@H]2CCS(=O)(=O)C2)CCCC1 ZINC000617416503 363127484 /nfs/dbraw/zinc/12/74/84/363127484.db2.gz SVXWTROYXBNGMX-CQSZACIVSA-N 0 0 313.463 2.454 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@@H]2C[C@H](C)n3ncnc32)cc1 ZINC000617449399 363143587 /nfs/dbraw/zinc/14/35/87/363143587.db2.gz NDHIRVWAWQVKST-SWLSCSKDSA-N 0 0 312.373 2.208 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@H]2C[C@@H](C)n3ncnc32)cc1 ZINC000617449397 363143598 /nfs/dbraw/zinc/14/35/98/363143598.db2.gz NDHIRVWAWQVKST-DOMZBBRYSA-N 0 0 312.373 2.208 10 30 DEEERN CCn1cnnc1CCNC(=O)[C@@H]1CCc2cccc(O)c21 ZINC000328590383 539908839 /nfs/dbraw/zinc/90/88/39/539908839.db2.gz HBZIGHAUCZQNNX-GFCCVEGCSA-N 0 0 300.362 2.233 10 30 DEEERN C=CCN(C(=O)c1cc(=O)c2ccccc2[nH]1)[C@H](C)COC ZINC000617575797 363193130 /nfs/dbraw/zinc/19/31/30/363193130.db2.gz FJTFDIJQSWOYFA-GFCCVEGCSA-N 0 0 300.358 2.191 10 30 DEEERN O=C(CC1CCCCC1)NCC(=O)N1CCN(C2CC2)CC1 ZINC000329410137 539920129 /nfs/dbraw/zinc/92/01/29/539920129.db2.gz BLLOTGVENVFONE-UHFFFAOYSA-N 0 0 307.438 2.220 10 30 DEEERN Cc1nc([C@H](C)NC(=O)c2cnc3c(c2)nnn3C)cs1 ZINC000329455156 539921171 /nfs/dbraw/zinc/92/11/71/539921171.db2.gz PTACLMKFOFTAKE-ZETCQYMHSA-N 0 0 302.363 2.194 10 30 DEEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCCNC2=O)cn1 ZINC000330360957 539938189 /nfs/dbraw/zinc/93/81/89/539938189.db2.gz XSRUDWAIYFDSPC-YNEHKIRRSA-N 0 0 306.366 2.056 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000332954982 539944932 /nfs/dbraw/zinc/94/49/32/539944932.db2.gz HRUHOYGOCWNOGT-AJNGGQMLSA-N 0 0 312.369 2.370 10 30 DEEERN C=CCCO[C@@H](C)C(=O)Nc1cc2c(cc1C(=O)OC)OCO2 ZINC000277116404 213304184 /nfs/dbraw/zinc/30/41/84/213304184.db2.gz RZGGMCSSPCBELE-JTQLQIEISA-N 0 0 321.329 2.122 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2ccc(CC(=O)NC)cc2)C1 ZINC000626259184 366126650 /nfs/dbraw/zinc/12/66/50/366126650.db2.gz KPHZZDLOYGFNSZ-AWEZNQCLSA-N 0 0 301.390 2.405 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)C1 ZINC000626262792 366128115 /nfs/dbraw/zinc/12/81/15/366128115.db2.gz ZCNDEAYZSIBVOU-ZDUSSCGKSA-N 0 0 312.377 2.401 10 30 DEEERN CC#CCNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000626301864 366140192 /nfs/dbraw/zinc/14/01/92/366140192.db2.gz AERSOGPKPUOBQE-KWCYVHTRSA-N 0 0 304.187 2.474 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2ccccc2OCCC(N)=O)C1 ZINC000626303306 366141098 /nfs/dbraw/zinc/14/10/98/366141098.db2.gz SXYGUUONLITWFA-CYBMUJFWSA-N 0 0 317.389 2.371 10 30 DEEERN C=C(C)CN(CC)C(=O)CNc1cc(Cl)ccc1C(N)=O ZINC000025746461 354076445 /nfs/dbraw/zinc/07/64/45/354076445.db2.gz HKDSDYVFUUBNRI-UHFFFAOYSA-N 0 0 309.797 2.275 10 30 DEEERN C=CCOC[C@H]1NC(=O)N([C@@H](C)c2ccc(OCC)cc2)C1=O ZINC000348487636 540022653 /nfs/dbraw/zinc/02/26/53/540022653.db2.gz CGMBEXPLNLJCKY-SWLSCSKDSA-N 0 0 318.373 2.269 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N(CC(=O)OC)Cc1ccccc1 ZINC000069356671 354861542 /nfs/dbraw/zinc/86/15/42/354861542.db2.gz MNJQWHPTBZCHCB-AWEZNQCLSA-N 0 0 305.374 2.169 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCCC[C@H]1CCO ZINC000355844100 540085019 /nfs/dbraw/zinc/08/50/19/540085019.db2.gz MBYNKDUQLDYQDV-PMPSAXMXSA-N 0 0 310.438 2.304 10 30 DEEERN C=CCOCCCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000595588969 358493972 /nfs/dbraw/zinc/49/39/72/358493972.db2.gz XLDABUVXMSQFDX-UHFFFAOYSA-N 0 0 307.350 2.295 10 30 DEEERN C=CCNC(=O)c1ccc(NCCc2ncc(C)s2)nc1 ZINC000078373240 355257257 /nfs/dbraw/zinc/25/72/57/355257257.db2.gz PCQLLQSEWICWGN-UHFFFAOYSA-N 0 0 302.403 2.417 10 30 DEEERN C#CCn1c(=O)[nH]c2scc(-c3cccc(OC)c3)c2c1=O ZINC000075320981 191463159 /nfs/dbraw/zinc/46/31/59/191463159.db2.gz KCFHUOCMBWLBMI-UHFFFAOYSA-N 0 0 312.350 2.060 10 30 DEEERN N#Cc1ccc(OCC(=O)N2CCC[C@]3(CCCOC3)C2)cc1 ZINC000079991246 355340522 /nfs/dbraw/zinc/34/05/22/355340522.db2.gz ITUBAIHAWORVBI-SFHVURJKSA-N 0 0 314.385 2.356 10 30 DEEERN Cc1ccn(Cc2csc(N(C)C3CC3)n2)c(=O)c1C#N ZINC000122046786 355798878 /nfs/dbraw/zinc/79/88/78/355798878.db2.gz RONDVYJUXYMAMH-UHFFFAOYSA-N 0 0 300.387 2.132 10 30 DEEERN CCOC(=O)CN(CC)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000179776816 356032923 /nfs/dbraw/zinc/03/29/23/356032923.db2.gz UNKZNQIMFRFACR-UHFFFAOYSA-N 0 0 300.358 2.267 10 30 DEEERN C=CCCC[C@H](C)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000179794455 356034127 /nfs/dbraw/zinc/03/41/27/356034127.db2.gz RDFFZIUCSZBQOM-JLJPHGGASA-N 0 0 315.417 2.462 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000181416479 356080341 /nfs/dbraw/zinc/08/03/41/356080341.db2.gz DUYUMPYOMVLILT-HOTGVXAUSA-N 0 0 320.437 2.347 10 30 DEEERN COc1c2cnn(C)c2ncc1C(=O)Nc1cc(C#N)ccc1C ZINC000182488224 356129741 /nfs/dbraw/zinc/12/97/41/356129741.db2.gz CDRGJIIDNFWJJU-UHFFFAOYSA-N 0 0 321.340 2.409 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1ccc(Br)s1 ZINC000185780285 356211173 /nfs/dbraw/zinc/21/11/73/356211173.db2.gz ZOUMQDPZVFOKEE-MRVPVSSYSA-N 0 0 304.209 2.106 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000081014865 192214130 /nfs/dbraw/zinc/21/41/30/192214130.db2.gz QZLCBWDKGZTDJF-UHFFFAOYSA-N 0 0 324.262 2.485 10 30 DEEERN COCCOc1ccc(NC(=O)c2cc(C#N)cn2C)cc1F ZINC000081051135 192221114 /nfs/dbraw/zinc/22/11/14/192221114.db2.gz JQROQYGGVZZMOB-UHFFFAOYSA-N 0 0 317.320 2.313 10 30 DEEERN Cc1sc2nc(C)nc(N3CCN(CC#N)CC3)c2c1C ZINC000314353034 356416609 /nfs/dbraw/zinc/41/66/09/356416609.db2.gz WLKOPIUKUJWEEU-UHFFFAOYSA-N 0 0 301.419 2.262 10 30 DEEERN CC[C@@H](C#N)NC(=O)c1sccc1I ZINC000306208474 356402690 /nfs/dbraw/zinc/40/26/90/356402690.db2.gz RIFQRDVIFAZEPR-LURJTMIESA-N 0 0 320.155 2.385 10 30 DEEERN O=C1c2ccccc2C(=O)N1Cc1ccc(F)c(C#CCCO)c1 ZINC000307024858 356407004 /nfs/dbraw/zinc/40/70/04/356407004.db2.gz WRRZNSDNIWGDAA-UHFFFAOYSA-N 0 0 323.323 2.356 10 30 DEEERN COc1cc(I)c(OC)c(CC#N)c1 ZINC000307020887 356407039 /nfs/dbraw/zinc/40/70/39/356407039.db2.gz BQOHESAMDOCPHP-UHFFFAOYSA-N 0 0 303.099 2.374 10 30 DEEERN Cc1nc(CNC(=O)NC[C@H]2CCCc3sc(C)nc32)no1 ZINC000328629335 356464263 /nfs/dbraw/zinc/46/42/63/356464263.db2.gz ORNGPPVAGNQNAV-SNVBAGLBSA-N 0 0 321.406 2.267 10 30 DEEERN C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NC2CC=CC2)C1 ZINC000328640241 356466102 /nfs/dbraw/zinc/46/61/02/356466102.db2.gz PXPRBSDDPPUYDZ-INIZCTEOSA-N 0 0 314.433 2.468 10 30 DEEERN C[C@@H]1CN(C(=O)c2cc(C#N)cn2C)c2ccccc2NC1=O ZINC000081547540 192288429 /nfs/dbraw/zinc/28/84/29/192288429.db2.gz KKTAENQFTIIFIC-LLVKDONJSA-N 0 0 308.341 2.132 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000081664959 192309383 /nfs/dbraw/zinc/30/93/83/192309383.db2.gz JZOOGZIWEDLZFO-AWEZNQCLSA-N 0 0 308.385 2.153 10 30 DEEERN CCCCS(=O)(=O)Cc1noc(Cc2cccc(C#N)c2)n1 ZINC000618428075 363491645 /nfs/dbraw/zinc/49/16/45/363491645.db2.gz ZAJCLIBIAMFTNI-UHFFFAOYSA-N 0 0 319.386 2.247 10 30 DEEERN C=CCOCCCNC(=O)Cc1cc(C(C)=O)ccc1OC ZINC000618517940 363513604 /nfs/dbraw/zinc/51/36/04/363513604.db2.gz TVVABSOGYPIOJI-UHFFFAOYSA-N 0 0 305.374 2.149 10 30 DEEERN C=CCOCCCNC(=O)CCc1c(C)nc(SC)nc1C ZINC000618517951 363513693 /nfs/dbraw/zinc/51/36/93/363513693.db2.gz UDNVSPNBOHULHB-UHFFFAOYSA-N 0 0 323.462 2.457 10 30 DEEERN C=CCOCCCNC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000618518156 363514027 /nfs/dbraw/zinc/51/40/27/363514027.db2.gz ZXYYANPTAVSNSW-UHFFFAOYSA-N 0 0 302.374 2.358 10 30 DEEERN C=CCOCCCNC(=O)C1CCN(c2ccc(C)cn2)CC1 ZINC000618520812 363514774 /nfs/dbraw/zinc/51/47/74/363514774.db2.gz KLTCPOODAYJSGT-UHFFFAOYSA-N 0 0 317.433 2.315 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC000618526057 363517772 /nfs/dbraw/zinc/51/77/72/363517772.db2.gz PJEKPKNYKXIKRV-UHFFFAOYSA-N 0 0 304.268 2.129 10 30 DEEERN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1N)C1CCCCC1 ZINC000085917824 192539220 /nfs/dbraw/zinc/53/92/20/192539220.db2.gz XCJCEHARJUFKPK-NSHDSACASA-N 0 0 307.419 2.388 10 30 DEEERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(C#N)cc2N)o1 ZINC000085917064 192539551 /nfs/dbraw/zinc/53/95/51/192539551.db2.gz SKNLBRFWMNMRIU-JTQLQIEISA-N 0 0 305.359 2.081 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2ccc(-c3nnnn3C)cc2)C1 ZINC000626772388 366313122 /nfs/dbraw/zinc/31/31/22/366313122.db2.gz GSJWWDIDRNLZAZ-LBPRGKRZSA-N 0 0 312.377 2.307 10 30 DEEERN CC[C@@H]1[C@@H](CO)CCN1c1ncc(Br)cc1C#N ZINC000386250918 356695458 /nfs/dbraw/zinc/69/54/58/356695458.db2.gz JCSMDCVYGITUGU-BXKDBHETSA-N 0 0 310.195 2.313 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCC[C@@]1(C)CCCO ZINC000578453009 356820564 /nfs/dbraw/zinc/82/05/64/356820564.db2.gz BFFXPESMYWTLAO-KRWDZBQOSA-N 0 0 310.438 2.003 10 30 DEEERN C=CCC1(C(=O)NCC2(O)Cc3ccccc3C2)CCOCC1 ZINC000579465230 356977657 /nfs/dbraw/zinc/97/76/57/356977657.db2.gz PHENJRXRHAMZIP-UHFFFAOYSA-N 0 0 315.413 2.005 10 30 DEEERN C=CCn1nnnc1SCC/C=C\c1cncc(OC)c1 ZINC000579956879 357058660 /nfs/dbraw/zinc/05/86/60/357058660.db2.gz UMYFHLKTUXCZMP-XQRVVYSFSA-N 0 0 303.391 2.458 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC(c2nc(C)no2)CC1 ZINC000580814674 357084126 /nfs/dbraw/zinc/08/41/26/357084126.db2.gz WPAVQEDHJFJXMM-PQAZSJQKSA-N 0 0 305.378 2.112 10 30 DEEERN CC#CCCNC(=O)N1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000592010976 357815337 /nfs/dbraw/zinc/81/53/37/357815337.db2.gz QMMMEQQQWMPLNQ-KBPBESRZSA-N 0 0 308.422 2.409 10 30 DEEERN Cc1ccc(C#N)c(N2CCN(C[C@H](O)c3ccccc3)CC2)n1 ZINC000179777788 199078813 /nfs/dbraw/zinc/07/88/13/199078813.db2.gz BUULMGRMUXCMBW-SFHVURJKSA-N 0 0 322.412 2.117 10 30 DEEERN C=CCC1(C(=O)Nc2cccc(C(=O)OC)n2)CCOCC1 ZINC000593307633 358051771 /nfs/dbraw/zinc/05/17/71/358051771.db2.gz SRZUTQJFHXYHHW-UHFFFAOYSA-N 0 0 304.346 2.180 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593416032 358072749 /nfs/dbraw/zinc/07/27/49/358072749.db2.gz 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/nfs/dbraw/zinc/21/44/38/358214438.db2.gz QMAOPNYKDQFAJB-UHFFFAOYSA-N 0 0 307.357 2.145 10 30 DEEERN C=C(CN1C(=O)N[C@](C)(CCC=C(C)C)C1=O)C(=O)OCC ZINC000276657151 213027394 /nfs/dbraw/zinc/02/73/94/213027394.db2.gz RJSWJWOOWGNNRX-MRXNPFEDSA-N 0 0 308.378 2.163 10 30 DEEERN C=CCCn1cc(COc2cc([N+](=O)[O-])ccc2OC)nn1 ZINC000594442765 358272304 /nfs/dbraw/zinc/27/23/04/358272304.db2.gz UMCIXMIDVIWUBN-UHFFFAOYSA-N 0 0 304.306 2.350 10 30 DEEERN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cccc2ncnn21 ZINC000618784100 363603112 /nfs/dbraw/zinc/60/31/12/363603112.db2.gz OULGUQUHLFDQOD-AWEZNQCLSA-N 0 0 303.325 2.018 10 30 DEEERN C=CCCC1(CN2C(=O)N[C@H](CCC(=O)OC)C2=O)CCCC1 ZINC000594739573 358330357 /nfs/dbraw/zinc/33/03/57/358330357.db2.gz TVBLCDZCPPHJIC-CYBMUJFWSA-N 0 0 322.405 2.387 10 30 DEEERN C=C[C@H](NC[C@@H]1CCCc2ccc(C(=O)OC)cc21)C(=O)OC ZINC000594719595 358324877 /nfs/dbraw/zinc/32/48/77/358324877.db2.gz DOLCLXKSDKOSIU-HOCLYGCPSA-N 0 0 317.385 2.210 10 30 DEEERN C=CCCSCCNS(=O)(=O)c1cnccc1OCC ZINC000594817988 358343507 /nfs/dbraw/zinc/34/35/07/358343507.db2.gz QJGNJKQTACLMHS-UHFFFAOYSA-N 0 0 316.448 2.068 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCc2cc(OC)ccc2C1 ZINC000618801728 363606995 /nfs/dbraw/zinc/60/69/95/363606995.db2.gz CZFDVKOXTJTUJV-KRWDZBQOSA-N 0 0 316.401 2.051 10 30 DEEERN C=CCCSCCNC(=O)N[C@H](CO)c1ccsc1 ZINC000595724572 358533109 /nfs/dbraw/zinc/53/31/09/358533109.db2.gz NXDSBURXXJKKOZ-GFCCVEGCSA-N 0 0 300.449 2.390 10 30 DEEERN C=CCSCCNC(=O)NCc1ccc2c(=O)cc[nH]c2c1 ZINC000596214340 358642305 /nfs/dbraw/zinc/64/23/05/358642305.db2.gz ATKRNQWBBNDIHK-UHFFFAOYSA-N 0 0 317.414 2.247 10 30 DEEERN C=CCOCCCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000596830166 358770999 /nfs/dbraw/zinc/77/09/99/358770999.db2.gz ABPLIXXTIDPRFC-UHFFFAOYSA-N 0 0 309.322 2.318 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@H](CC(=O)OC)C1 ZINC000596661664 358734845 /nfs/dbraw/zinc/73/48/45/358734845.db2.gz PBLUAXRXCDELQV-RBSFLKMASA-N 0 0 324.421 2.095 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H](CC)CSC ZINC000597304883 358884277 /nfs/dbraw/zinc/88/42/77/358884277.db2.gz GDUOFVCQKBYGQH-HZSPNIEDSA-N 0 0 312.479 2.495 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CC)C3CC3)cc2C1=O ZINC000618862016 363620154 /nfs/dbraw/zinc/62/01/54/363620154.db2.gz YLXRWPGZMMJQSZ-HNNXBMFYSA-N 0 0 312.369 2.387 10 30 DEEERN Cc1cc(S(=O)(=O)NCC[C@@H]2CC2(F)F)ccc1C#N ZINC000598622773 359263902 /nfs/dbraw/zinc/26/39/02/359263902.db2.gz RHLHRTBBJURIGO-LLVKDONJSA-N 0 0 300.330 2.190 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2)C1 ZINC000599375339 359482491 /nfs/dbraw/zinc/48/24/91/359482491.db2.gz SFUSHCYWLOGBBV-GFCCVEGCSA-N 0 0 309.387 2.060 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000599374966 359482719 /nfs/dbraw/zinc/48/27/19/359482719.db2.gz OUEJKRHJALUOQA-CYBMUJFWSA-N 0 0 324.402 2.365 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000186666857 199988397 /nfs/dbraw/zinc/98/83/97/199988397.db2.gz PLVMJAKRUQGLMN-NSHDSACASA-N 0 0 323.336 2.062 10 30 DEEERN C=C[C@H](C(=O)OC)N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000599644294 359553666 /nfs/dbraw/zinc/55/36/66/359553666.db2.gz QIMYUTXMDJLZIH-CQSZACIVSA-N 0 0 319.405 2.319 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H](CC(=O)OCC)C(F)(F)F)C1 ZINC000599806069 359600276 /nfs/dbraw/zinc/60/02/76/359600276.db2.gz OVYHGXXPBSUEKN-MNOVXSKESA-N 0 0 322.327 2.478 10 30 DEEERN C=CCC[C@H](NC(=O)c1cc(C)cn2ccnc12)C(=O)OCC ZINC000599997776 359632072 /nfs/dbraw/zinc/63/20/72/359632072.db2.gz XUWALQSYLSBKOF-AWEZNQCLSA-N 0 0 315.373 2.270 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000600003875 359633032 /nfs/dbraw/zinc/63/30/32/359633032.db2.gz IHCLMJUFEAGFRM-LLVKDONJSA-N 0 0 301.321 2.060 10 30 DEEERN C#CCCOc1ccc(CN2CCO[C@@]3(CCOC3)C2)cc1 ZINC000187544423 200125672 /nfs/dbraw/zinc/12/56/72/200125672.db2.gz YADOFSVBGWAZAR-SFHVURJKSA-N 0 0 301.386 2.080 10 30 DEEERN C=C[C@@H](CC(=O)N1CC[C@](OC)(C(=O)OC)C1)c1ccccc1 ZINC000600289773 359714088 /nfs/dbraw/zinc/71/40/88/359714088.db2.gz ZKRLCWUZXFKLFJ-KBXCAEBGSA-N 0 0 317.385 2.137 10 30 DEEERN C=CCC1(C(=O)N2CC[C@](OC)(C(=O)OC)C2)CCCCC1 ZINC000600298678 359715847 /nfs/dbraw/zinc/71/58/47/359715847.db2.gz HKKWPMHLGOXSII-QGZVFWFLSA-N 0 0 309.406 2.304 10 30 DEEERN CC#CCN(C)C(=O)C(=O)Nc1cc(Cl)cc(C)c1OC ZINC000627586540 366557790 /nfs/dbraw/zinc/55/77/90/366557790.db2.gz CDAXNOLALRGFES-UHFFFAOYSA-N 0 0 308.765 2.077 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(OC)nc1C ZINC000627686988 366591311 /nfs/dbraw/zinc/59/13/11/366591311.db2.gz NFVKCNNOYRDUGM-UHFFFAOYSA-N 0 0 305.378 2.056 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000627686507 366591900 /nfs/dbraw/zinc/59/19/00/366591900.db2.gz OIILBGLYDFFMNO-UHFFFAOYSA-N 0 0 316.405 2.086 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)C1=O ZINC000601071603 359912459 /nfs/dbraw/zinc/91/24/59/359912459.db2.gz QBHWXJCZBBBPGJ-YNEHKIRRSA-N 0 0 322.405 2.383 10 30 DEEERN C=CCCC(C)(C)CN1C(=O)[C@@H]2CC[C@H](C(=O)OC)CN2C1=O ZINC000601071976 359912464 /nfs/dbraw/zinc/91/24/64/359912464.db2.gz YFPICUNELPICQN-STQMWFEESA-N 0 0 322.405 2.195 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H](CC(=O)OCC)CC(C)C)C1=O ZINC000601068857 359911168 /nfs/dbraw/zinc/91/11/68/359911168.db2.gz BKXXSQNHXMMWMT-KBPBESRZSA-N 0 0 324.421 2.489 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H](C(=O)OC(C)(C)C)C(C)C)C1=O ZINC000601072009 359912784 /nfs/dbraw/zinc/91/27/84/359912784.db2.gz ZAWLDIMPSCZCTP-STQMWFEESA-N 0 0 324.421 2.487 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cnc(C)nc2C2CC2)C1 ZINC000627732780 366603370 /nfs/dbraw/zinc/60/33/70/366603370.db2.gz CJQWXSNHEPGSSE-GFCCVEGCSA-N 0 0 314.389 2.026 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(F)F)nc2)C1 ZINC000627733508 366603577 /nfs/dbraw/zinc/60/35/77/366603577.db2.gz WKZCIKIOSNBVHX-SNVBAGLBSA-N 0 0 309.316 2.382 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)cnc2OCC)C1 ZINC000627732823 366603664 /nfs/dbraw/zinc/60/36/64/366603664.db2.gz DQPJQPFUWICZSK-CYBMUJFWSA-N 0 0 317.389 2.152 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000627735755 366604853 /nfs/dbraw/zinc/60/48/53/366604853.db2.gz AVUDHJLNFHDBFL-ZDUSSCGKSA-N 0 0 300.358 2.252 10 30 DEEERN C=CCSc1ccccc1C(=O)NCCCc1ncnn1C ZINC000627896269 366652193 /nfs/dbraw/zinc/65/21/93/366652193.db2.gz UYGUMRTWPFFPAN-UHFFFAOYSA-N 0 0 316.430 2.456 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N1CC2(C1)CCCO2 ZINC000627834702 366635620 /nfs/dbraw/zinc/63/56/20/366635620.db2.gz DPLPWPDQGLBGOK-UHFFFAOYSA-N 0 0 314.385 2.135 10 30 DEEERN C=CCSCCNC(=O)NCc1cccc2c1CCOC2 ZINC000601568162 360075705 /nfs/dbraw/zinc/07/57/05/360075705.db2.gz OUUUOACWDLURJR-UHFFFAOYSA-N 0 0 306.431 2.478 10 30 DEEERN C=CCCCNC(=O)N1CCC(c2cc(C(=O)OC)on2)CC1 ZINC000601598057 360082848 /nfs/dbraw/zinc/08/28/48/360082848.db2.gz HMQHLDXWOTZBCV-UHFFFAOYSA-N 0 0 321.377 2.316 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)OC ZINC000601771895 360140486 /nfs/dbraw/zinc/14/04/86/360140486.db2.gz MHCMOAPBFKLFAP-LBPRGKRZSA-N 0 0 306.318 2.141 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)OC ZINC000601770747 360140505 /nfs/dbraw/zinc/14/05/05/360140505.db2.gz DOMRXBWFSRECTL-GFCCVEGCSA-N 0 0 306.318 2.141 10 30 DEEERN C=C(C)C[C@@H](NC(=O)COc1cccc(Cl)c1)C(=O)OC ZINC000601772244 360141360 /nfs/dbraw/zinc/14/13/60/360141360.db2.gz OFRNAECFIMXHCN-CYBMUJFWSA-N 0 0 311.765 2.343 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H]1Cc2ccccc2S1)C(=O)OC ZINC000601777196 360143536 /nfs/dbraw/zinc/14/35/36/360143536.db2.gz FIHPJQZEOJQISD-TZMCWYRMSA-N 0 0 305.399 2.327 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cc1ccc(C)c(OC)c1)C(=O)OC ZINC000601779207 360144403 /nfs/dbraw/zinc/14/44/03/360144403.db2.gz RUURISARIIVKII-CQSZACIVSA-N 0 0 305.374 2.170 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(C(F)(F)F)cn1)C(=O)OC ZINC000601778773 360144517 /nfs/dbraw/zinc/14/45/17/360144517.db2.gz QKUAWLHGVJANAH-LLVKDONJSA-N 0 0 316.279 2.338 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1CCc2ccc(OC)cc21)C(=O)OC ZINC000601781727 360145456 /nfs/dbraw/zinc/14/54/56/360145456.db2.gz LCADCZVTKZTQBP-GDBMZVCRSA-N 0 0 317.385 2.349 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](C)OCCc1ccccc1)C(=O)OC ZINC000601781663 360145630 /nfs/dbraw/zinc/14/56/30/360145630.db2.gz KTPYCWYVPOMYFL-ZBFHGGJFSA-N 0 0 319.401 2.258 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)OC ZINC000601783537 360147734 /nfs/dbraw/zinc/14/77/34/360147734.db2.gz AFHCPFFHVUZHJH-ZDUSSCGKSA-N 0 0 306.318 2.141 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H](OC)c1ccc(F)cc1)C(=O)OC ZINC000601784911 360148757 /nfs/dbraw/zinc/14/87/57/360148757.db2.gz OEMAMYXYADZHRH-KGLIPLIRSA-N 0 0 309.337 2.137 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCc1c(C)noc1Cl)C(=O)OC ZINC000601787619 360150623 /nfs/dbraw/zinc/15/06/23/360150623.db2.gz ZXCNQJUSNJMZED-NSHDSACASA-N 0 0 314.769 2.193 10 30 DEEERN C=CC(C)(C)C(=O)N1CCC(c2cc(C(=O)OC)on2)CC1 ZINC000601894763 360185845 /nfs/dbraw/zinc/18/58/45/360185845.db2.gz YKRHMFVXFKFNQP-UHFFFAOYSA-N 0 0 306.362 2.379 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1OC ZINC000619157798 363721073 /nfs/dbraw/zinc/72/10/73/363721073.db2.gz ZUBSWQKUCJVRRP-XHSDSOJGSA-N 0 0 316.401 2.138 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cccnc1OC(C)C)C(=O)OC ZINC000602415567 360362479 /nfs/dbraw/zinc/36/24/79/360362479.db2.gz RLCYTIGGTTXPQS-CYBMUJFWSA-N 0 0 306.362 2.106 10 30 DEEERN N#CC1CCC(CNC(=O)N[C@@H](CO)c2cccc(F)c2)CC1 ZINC000441015742 238003228 /nfs/dbraw/zinc/00/32/28/238003228.db2.gz ZGKGGTWYAXBWLI-ZUEPYMLJSA-N 0 0 319.380 2.488 10 30 DEEERN C=C(C)C[C@H](NCc1cncc(Br)c1)C(=O)OC ZINC000602734451 360525580 /nfs/dbraw/zinc/52/55/80/360525580.db2.gz OMAXVSOWLDQXKH-LBPRGKRZSA-N 0 0 313.195 2.442 10 30 DEEERN C=C(C)C[C@H](NCc1ccc(-n2cncn2)c(F)c1)C(=O)OC ZINC000602733828 360525783 /nfs/dbraw/zinc/52/57/83/360525783.db2.gz LJDGTCMOVHBDJZ-AWEZNQCLSA-N 0 0 318.352 2.004 10 30 DEEERN C=CCCC[C@@H](C)n1cc(CN2CCC[C@H]2C(=O)OC)nn1 ZINC000603265206 360769964 /nfs/dbraw/zinc/76/99/64/360769964.db2.gz NCVCWBAEBLUAHP-HIFRSBDPSA-N 0 0 306.410 2.333 10 30 DEEERN CN1CC[C@H](COc2ccc(Br)cc2C#N)C1=O ZINC000603331404 360794894 /nfs/dbraw/zinc/79/48/94/360794894.db2.gz SFPYGSRORPOCEQ-SECBINFHSA-N 0 0 309.163 2.178 10 30 DEEERN N#Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c[nH]1 ZINC000271993623 209367599 /nfs/dbraw/zinc/36/75/99/209367599.db2.gz MIXFEVQXTJNMMR-DOMZBBRYSA-N 0 0 317.295 2.113 10 30 DEEERN C=CCCCNC(=O)c1ncc(I)s1 ZINC000603432353 360831230 /nfs/dbraw/zinc/83/12/30/360831230.db2.gz PCGJTGRQIXUDHT-UHFFFAOYSA-N 0 0 322.171 2.444 10 30 DEEERN N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCCn3nccc32)cc1 ZINC000609100291 361278352 /nfs/dbraw/zinc/27/83/52/361278352.db2.gz POYWKGPAGPYIKV-MRXNPFEDSA-N 0 0 321.384 2.160 10 30 DEEERN Cc1ncsc1CNC(=O)NCc1ccc(C#N)cc1F ZINC000609240438 361291887 /nfs/dbraw/zinc/29/18/87/361291887.db2.gz ILIKMHOGAJKKAT-UHFFFAOYSA-N 0 0 304.350 2.462 10 30 DEEERN CC(C)C[C@@H](C#N)NC(=O)CCc1nc2ccccc2oc1=O ZINC000608822707 361269791 /nfs/dbraw/zinc/26/97/91/361269791.db2.gz HUVBCHDDXVLAQT-LBPRGKRZSA-N 0 0 313.357 2.175 10 30 DEEERN C=C(C)[C@@H](CO)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000619297704 363758938 /nfs/dbraw/zinc/75/89/38/363758938.db2.gz HSTNEQDPLHLKLX-IAGOWNOFSA-N 0 0 319.836 2.459 10 30 DEEERN CCc1nc(C2(NC(=O)c3ccnc(C#N)c3)CCCC2)no1 ZINC000193436104 201052327 /nfs/dbraw/zinc/05/23/27/201052327.db2.gz SOCBJFFRPXBLRN-UHFFFAOYSA-N 0 0 311.345 2.098 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCc1c(C(F)(F)F)cnn1C ZINC000628354887 366825554 /nfs/dbraw/zinc/82/55/54/366825554.db2.gz AMQSVDVVFNZXAB-ZDUSSCGKSA-N 0 0 319.327 2.284 10 30 DEEERN N#Cc1ccc(CNC(=O)COc2ccccc2O)c(F)c1 ZINC000610939817 361495117 /nfs/dbraw/zinc/49/51/17/361495117.db2.gz KRXBBPYXEKATTB-UHFFFAOYSA-N 0 0 300.289 2.098 10 30 DEEERN CC(C)(C)OC(=O)C[C@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC000611242038 361559086 /nfs/dbraw/zinc/55/90/86/361559086.db2.gz SYAKUORADDQTOW-GFCCVEGCSA-N 0 0 302.378 2.296 10 30 DEEERN CC[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CCCO1 ZINC000619588648 363835719 /nfs/dbraw/zinc/83/57/19/363835719.db2.gz OZBHJTSLXZGVRQ-CQSZACIVSA-N 0 0 305.353 2.408 10 30 DEEERN Cc1cc(C)n(CC(=O)NCc2ccc(C#N)c(Cl)c2)n1 ZINC000619764082 363873085 /nfs/dbraw/zinc/87/30/85/363873085.db2.gz JJBZDXPAHGXGEQ-UHFFFAOYSA-N 0 0 302.765 2.341 10 30 DEEERN C=CCC1(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)C2)CCOCC1 ZINC000620009710 363932525 /nfs/dbraw/zinc/93/25/25/363932525.db2.gz DUDSLTJICZBVND-CQSZACIVSA-N 0 0 322.449 2.123 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000620260908 364003631 /nfs/dbraw/zinc/00/36/31/364003631.db2.gz AGQCQUKRBGRPNL-SJORKVTESA-N 0 0 316.401 2.137 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C1(NC(=O)NCC)CCCC1 ZINC000620313013 364014005 /nfs/dbraw/zinc/01/40/05/364014005.db2.gz SIOMOIMYKVWMGD-OKILXGFUSA-N 0 0 305.422 2.328 10 30 DEEERN C[C@H](CNC(=O)c1ccc(C#N)n1C)COCc1ccccc1 ZINC000448778151 239631449 /nfs/dbraw/zinc/63/14/49/239631449.db2.gz SDRRWQIHWMMQEI-CQSZACIVSA-N 0 0 311.385 2.479 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C[C@H](NC(N)=O)c2cccs2)C1 ZINC000628484528 366863880 /nfs/dbraw/zinc/86/38/80/366863880.db2.gz OZSSLDUCUVEGMR-RYUDHWBXSA-N 0 0 307.419 2.272 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2ccc(OC)c(OCCO)c2)C1 ZINC000628492521 366867006 /nfs/dbraw/zinc/86/70/06/366867006.db2.gz WMUOULKIOVCILA-ZDUSSCGKSA-N 0 0 305.374 2.105 10 30 DEEERN C=CCC1(C(=O)Nc2ccc3c(n2)OCCO3)CCOCC1 ZINC000622158956 364683463 /nfs/dbraw/zinc/68/34/63/364683463.db2.gz CHVPUUXLLOIOOM-UHFFFAOYSA-N 0 0 304.346 2.164 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)c1cn2c(n1)COCC2 ZINC000623680043 365128901 /nfs/dbraw/zinc/12/89/01/365128901.db2.gz VTMXHWUFHAVOKQ-UHFFFAOYSA-N 0 0 303.387 2.303 10 30 DEEERN C=C[C@H](C)NC(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000623747270 365160497 /nfs/dbraw/zinc/16/04/97/365160497.db2.gz UXBZNMMNXDDEJT-WFASDCNBSA-N 0 0 323.824 2.419 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000623720987 365146740 /nfs/dbraw/zinc/14/67/40/365146740.db2.gz DIPSBVHLOJGAND-NWDGAFQWSA-N 0 0 305.344 2.231 10 30 DEEERN N#C[C@H]1CNCCN1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000091748321 193101658 /nfs/dbraw/zinc/10/16/58/193101658.db2.gz CDUDBKWISSIHNA-AWEZNQCLSA-N 0 0 302.765 2.292 10 30 DEEERN C=CC(C)(C)CCNC(=O)N(C)Cc1ncnn1CC(F)F ZINC000624463439 365429913 /nfs/dbraw/zinc/42/99/13/365429913.db2.gz JAKUVQGBCZPUTF-UHFFFAOYSA-N 0 0 315.368 2.287 10 30 DEEERN CC[C@@H](CC#N)NCc1cnc2cnc(Br)cn12 ZINC000092049952 193148668 /nfs/dbraw/zinc/14/86/68/193148668.db2.gz KNYLMAAVKBUXTR-VIFPVBQESA-N 0 0 308.183 2.274 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000628769554 366963917 /nfs/dbraw/zinc/96/39/17/366963917.db2.gz MJBNXVANZLPHTK-GDBMZVCRSA-N 0 0 303.337 2.082 10 30 DEEERN CC(C)C[C@H](NC(=O)c1ccc(C#N)n1C)C(=O)OC(C)(C)C ZINC000450126872 241470710 /nfs/dbraw/zinc/47/07/10/241470710.db2.gz OYDBRIBAXDXBLN-ZDUSSCGKSA-N 0 0 319.405 2.383 10 30 DEEERN C=C(CN1C(=O)N[C@H](C[C@@H]2CCCOC2)C1=O)c1ccccc1 ZINC000629470083 367210797 /nfs/dbraw/zinc/21/07/97/367210797.db2.gz HXEDUVZZWSRHCB-GOEBONIOSA-N 0 0 314.385 2.437 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1ccc(C)cc1Br ZINC000450841484 242294533 /nfs/dbraw/zinc/29/45/33/242294533.db2.gz BXPBEUWXMNNMMA-GFCCVEGCSA-N 0 0 312.207 2.353 10 30 DEEERN C=CCn1c(SCc2ccc(C(=O)OCC)cn2)n[nH]c1=O ZINC000450867046 242325346 /nfs/dbraw/zinc/32/53/46/242325346.db2.gz GWTONHMBAXJONP-UHFFFAOYSA-N 0 0 320.374 2.034 10 30 DEEERN C=C1CC(C)(C(=O)Nc2ccc(OCC(=O)NCC)cc2)C1 ZINC000630706813 367804852 /nfs/dbraw/zinc/80/48/52/367804852.db2.gz YMQVYXGLBXNIBF-UHFFFAOYSA-N 0 0 302.374 2.496 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000630965156 367939018 /nfs/dbraw/zinc/93/90/18/367939018.db2.gz NWBKCMCJFGWUBL-CYBMUJFWSA-N 0 0 318.373 2.133 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H](c2nccn2C)c2ccccc2)C1=O ZINC000630964460 367939251 /nfs/dbraw/zinc/93/92/51/367939251.db2.gz HRZARPPZXOYLJQ-GJZGRUSLSA-N 0 0 324.384 2.396 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccc(N(CC)CC)nc2)C1=O ZINC000630967993 367941379 /nfs/dbraw/zinc/94/13/79/367941379.db2.gz REONNHIDJPWLBO-AWEZNQCLSA-N 0 0 316.405 2.314 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2cnn(Cc3ccccc3)c2)C1=O ZINC000630967537 367941455 /nfs/dbraw/zinc/94/14/55/367941455.db2.gz LRQNTXHFIGEYHD-INIZCTEOSA-N 0 0 324.384 2.318 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H]2OCCc3ccccc32)C1=O ZINC000630972084 367943804 /nfs/dbraw/zinc/94/38/04/367943804.db2.gz FUSFOIWCIKEWDL-LSDHHAIUSA-N 0 0 300.358 2.187 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H]2CCOc3c(OC)cccc32)C1=O ZINC000630983582 367949352 /nfs/dbraw/zinc/94/93/52/367949352.db2.gz WIGBIZJNJILSPD-OLZOCXBDSA-N 0 0 316.357 2.405 10 30 DEEERN C=CCC1(C(=O)N(CCO)Cc2ccnn2CC)CCCC1 ZINC000451558477 243122069 /nfs/dbraw/zinc/12/20/69/243122069.db2.gz ZEIDAOJIAKQNNN-UHFFFAOYSA-N 0 0 305.422 2.360 10 30 DEEERN COC[C@]1(C)CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000452367620 244208433 /nfs/dbraw/zinc/20/84/33/244208433.db2.gz ZWIPHRROFMSRQV-IAGOWNOFSA-N 0 0 324.421 2.133 10 30 DEEERN CCN[C@@]1(C#N)CC[C@@H](Sc2nnnn2C2CCCC2)C1 ZINC000093806340 193309247 /nfs/dbraw/zinc/30/92/47/193309247.db2.gz LJLHYPJKGBRPGU-OCCSQVGLSA-N 0 0 306.439 2.305 10 30 DEEERN CC(=O)c1ccc(N2CCO[C@@H](C#N)C2)c(Br)c1 ZINC000093932476 193329599 /nfs/dbraw/zinc/32/95/99/193329599.db2.gz RLQZGIHURXFXJX-NSHDSACASA-N 0 0 309.163 2.380 10 30 DEEERN O=C(NCCc1ccc(F)cc1)c1csc(C#CCO)c1 ZINC000093973629 193332669 /nfs/dbraw/zinc/33/26/69/193332669.db2.gz QKKJAYWMZZTWSO-UHFFFAOYSA-N 0 0 303.358 2.204 10 30 DEEERN Cc1csc(CNC(=O)c2cc(C)c(C#CCCO)s2)n1 ZINC000094534617 193377245 /nfs/dbraw/zinc/37/72/45/193377245.db2.gz NUZYUWBRLKVDIF-UHFFFAOYSA-N 0 0 320.439 2.485 10 30 DEEERN Cc1cc(C(=O)N2CCSC[C@@H]2C)sc1C#CCCO ZINC000094535507 193377683 /nfs/dbraw/zinc/37/76/83/193377683.db2.gz BXVISSXCOQDLDL-LBPRGKRZSA-N 0 0 309.456 2.368 10 30 DEEERN Cc1cc(C(=O)NC[C@H]2CCCCO2)sc1C#CCCO ZINC000094534914 193377730 /nfs/dbraw/zinc/37/77/30/193377730.db2.gz UQMGONLQLNZBOU-CYBMUJFWSA-N 0 0 307.415 2.089 10 30 DEEERN Cc1ccsc1CNC(=O)c1cc(F)ccc1C#CCO ZINC000094883457 193405208 /nfs/dbraw/zinc/40/52/08/193405208.db2.gz PBVQESOLKFNRAQ-UHFFFAOYSA-N 0 0 303.358 2.469 10 30 DEEERN Cc1cc(F)c(N)cc1S(=O)(=O)Nc1ccc(C#N)cc1 ZINC000094779043 193396445 /nfs/dbraw/zinc/39/64/45/193396445.db2.gz XMYFVOUTVVJSSA-UHFFFAOYSA-N 0 0 305.334 2.389 10 30 DEEERN COC(=O)c1ccccc1C(=O)NCC#Cc1ccccc1F ZINC000096343315 193614487 /nfs/dbraw/zinc/61/44/87/193614487.db2.gz KKCNZBVGDFIKFK-UHFFFAOYSA-N 0 0 311.312 2.394 10 30 DEEERN C=CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@]2(CCOC2)C1 ZINC000453430539 245135259 /nfs/dbraw/zinc/13/52/59/245135259.db2.gz DCQVGWPTUHLWHO-KRWDZBQOSA-N 0 0 313.405 2.466 10 30 DEEERN C=C(COc1ccc(/C=C/C(=O)OC)cc1OC)C(=O)OCC ZINC000264986743 204325492 /nfs/dbraw/zinc/32/54/92/204325492.db2.gz IWNXMUYQOVIFGQ-VQHVLOKHSA-N 0 0 320.341 2.380 10 30 DEEERN C=C(Br)CN1C(=O)[C@@H](CCC)NC(=O)[C@H]1C(C)C ZINC000161566918 197504397 /nfs/dbraw/zinc/50/43/97/197504397.db2.gz AEXBMEJURZSALK-GHMZBOCLSA-N 0 0 317.227 2.047 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cnc(CCC)o1 ZINC000454911505 246251218 /nfs/dbraw/zinc/25/12/18/246251218.db2.gz YLANKLZCPJLALP-DOMZBBRYSA-N 0 0 307.394 2.408 10 30 DEEERN Cc1c(C(=O)OC(C)C)oc2c1/C(=N/NC(N)=S)CCC2 ZINC000040824691 183137239 /nfs/dbraw/zinc/13/72/39/183137239.db2.gz QGPAQRCJEIFHOC-CXUHLZMHSA-N 0 0 309.391 2.027 10 30 DEEERN C[C@H]1CCc2c(C#N)c(NC(=O)[C@H]3CSCN3)sc2C1 ZINC000040852919 183142189 /nfs/dbraw/zinc/14/21/89/183142189.db2.gz HPFRGVMACSPSAQ-GZMMTYOYSA-N 0 0 307.444 2.346 10 30 DEEERN CN(c1ccccc1)c1ncnc(N(CCC#N)CCC#N)c1N ZINC000040737033 183127072 /nfs/dbraw/zinc/12/70/72/183127072.db2.gz AVWZPVLCIZIAIV-UHFFFAOYSA-N 0 0 321.388 2.460 10 30 DEEERN N#Cc1ccc(CS(=O)(=O)c2c(F)cc(N)cc2F)cc1 ZINC000042193849 183240521 /nfs/dbraw/zinc/24/05/21/183240521.db2.gz BWSRVDQPTQMWEJ-UHFFFAOYSA-N 0 0 308.309 2.393 10 30 DEEERN CN(Cc1cc(C#CCO)cs1)C(=O)c1ccc(O)cc1 ZINC000042400981 183264718 /nfs/dbraw/zinc/26/47/18/183264718.db2.gz RVRMHAQHACDYDS-UHFFFAOYSA-N 0 0 301.367 2.070 10 30 DEEERN CCCO[C@H]1CCCN(S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000042425048 183268547 /nfs/dbraw/zinc/26/85/47/183268547.db2.gz OSFJLBLVCCUQSD-AWEZNQCLSA-N 0 0 308.403 2.138 10 30 DEEERN CCO[C@@H]1CCCN(C(=O)c2ccc(C#CCCO)s2)C1 ZINC000042426641 183269153 /nfs/dbraw/zinc/26/91/53/183269153.db2.gz FMYQRHXYBZTBPJ-CYBMUJFWSA-N 0 0 307.415 2.123 10 30 DEEERN CC(C)N(CC/C(N)=N/O)C(=O)c1ccc(Br)o1 ZINC000042529521 183281099 /nfs/dbraw/zinc/28/10/99/183281099.db2.gz FAINTYYCZPFQCC-UHFFFAOYSA-N 0 0 318.171 2.029 10 30 DEEERN C[C@@H](N(C)S(=O)(=O)c1ccccc1C#CCO)C(C)(C)C ZINC000042798021 183310349 /nfs/dbraw/zinc/31/03/49/183310349.db2.gz ATLVCILGFZFGOR-CYBMUJFWSA-N 0 0 309.431 2.086 10 30 DEEERN CC(C)C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)C(=O)[O-] ZINC000043442900 183364387 /nfs/dbraw/zinc/36/43/87/183364387.db2.gz DBOWXGLNGUKEDW-NSHDSACASA-N 0 0 309.391 2.037 10 30 DEEERN CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(c2cccc(F)c2C#N)C1 ZINC000284682702 218132145 /nfs/dbraw/zinc/13/21/45/218132145.db2.gz ZRJFPGWCMDCCQQ-YGRLFVJLSA-N 0 0 301.325 2.090 10 30 DEEERN CN(C)C(=O)c1ccc(NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000531149184 269684268 /nfs/dbraw/zinc/68/42/68/269684268.db2.gz FJUWRECIYPMGQG-UHFFFAOYSA-N 0 0 307.353 2.441 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc2c(c1)CCCN2C(C)=O ZINC000273382195 210725419 /nfs/dbraw/zinc/72/54/19/210725419.db2.gz IOBZTDRKMHJUKU-HNNXBMFYSA-N 0 0 317.389 2.044 10 30 DEEERN CCCN[C@@](C)(C#N)CCCSc1n[nH]c(=O)n1CCC ZINC000061607378 184178194 /nfs/dbraw/zinc/17/81/94/184178194.db2.gz BAGOTVKSTSHPFR-CQSZACIVSA-N 0 0 311.455 2.136 10 30 DEEERN Cn1cc(C(=O)Nc2cc(C#CCCO)ccc2Cl)cn1 ZINC000061691718 184182793 /nfs/dbraw/zinc/18/27/93/184182793.db2.gz YUGAGLCQCLCKPO-UHFFFAOYSA-N 0 0 303.749 2.060 10 30 DEEERN Cc1ccc(S(=O)(=O)N(C)c2cccc(C#N)c2)c(N)c1 ZINC000061979721 184199544 /nfs/dbraw/zinc/19/95/44/184199544.db2.gz ZPDILNYOUFMZGJ-UHFFFAOYSA-N 0 0 301.371 2.274 10 30 DEEERN Cc1cccc(N)c1S(=O)(=O)N(C)c1cccc(C#N)c1 ZINC000061979724 184199764 /nfs/dbraw/zinc/19/97/64/184199764.db2.gz NUXZJZRUCBUUOE-UHFFFAOYSA-N 0 0 301.371 2.274 10 30 DEEERN CN(c1cccc(C#N)c1)S(=O)(=O)c1cc(F)ccc1N ZINC000061979728 184199915 /nfs/dbraw/zinc/19/99/15/184199915.db2.gz LMUMYAWEOQOVHW-UHFFFAOYSA-N 0 0 305.334 2.105 10 30 DEEERN N#CCC[C@H](C#N)CN1CCC(c2nnc3ccccn32)CC1 ZINC000112560594 194486642 /nfs/dbraw/zinc/48/66/42/194486642.db2.gz SYDXTAIVDMOAIN-CQSZACIVSA-N 0 0 308.389 2.352 10 30 DEEERN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@H](C)O1 ZINC000048659670 207354304 /nfs/dbraw/zinc/35/43/04/207354304.db2.gz ISFARPFONRVQLG-UWVGGRQHSA-N 0 0 314.794 2.010 10 30 DEEERN CCC(C)(C)N(C)S(=O)(=O)c1ccc(C)cc1C#CCO ZINC000069462211 184517563 /nfs/dbraw/zinc/51/75/63/184517563.db2.gz JJMNTEDQGBDREA-UHFFFAOYSA-N 0 0 309.431 2.148 10 30 DEEERN CC1(C)CN(C(=O)c2ccc(C#CCCO)s2)CCS1 ZINC000159021733 197320035 /nfs/dbraw/zinc/32/00/35/197320035.db2.gz CSCPLAPBUGXPJQ-UHFFFAOYSA-N 0 0 309.456 2.450 10 30 DEEERN C=CCn1ncc(NCCOC(C)C)c(Br)c1=O ZINC000158509074 197280106 /nfs/dbraw/zinc/28/01/06/197280106.db2.gz JYEAUQJNYCHQKY-UHFFFAOYSA-N 0 0 316.199 2.029 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(CCOc3ccccc3C#N)[C@@H]2C1 ZINC000158422139 197271173 /nfs/dbraw/zinc/27/11/73/197271173.db2.gz ZAEYZXXFEQHGMI-NUJGCVRESA-N 0 0 316.401 2.205 10 30 DEEERN C[C@@H](NC(=O)N1CC[C@@H](C)[C@@H](O)C1)[C@@H]1COc2ccccc21 ZINC000329184367 533105760 /nfs/dbraw/zinc/10/57/60/533105760.db2.gz PUKAWEARULMFFO-UXOAXIEHSA-N 0 0 304.390 2.168 10 30 DEEERN O=C(NCC(F)(F)F)Nc1ccc(F)cc1C#CCCO ZINC000158093405 197242321 /nfs/dbraw/zinc/24/23/21/197242321.db2.gz KCFIDEHCWBCFMV-UHFFFAOYSA-N 0 0 304.243 2.243 10 30 DEEERN CC[C@H]1CN(C(=O)c2ccc(C#CCCO)cc2)CCS1 ZINC000157973128 197231783 /nfs/dbraw/zinc/23/17/83/197231783.db2.gz GWPBISKFJFMOMJ-INIZCTEOSA-N 0 0 303.427 2.388 10 30 DEEERN C=CCN(CC=C)C(=O)CN1CCO[C@@H](c2cccs2)C1 ZINC000157756720 197212589 /nfs/dbraw/zinc/21/25/89/197212589.db2.gz CMJOSUSBINUBSL-CQSZACIVSA-N 0 0 306.431 2.322 10 30 DEEERN CC(C)Cc1ccc([C@H](O)[C@]2(C#N)CCS(=O)(=O)C2)cc1 ZINC000157664249 197205639 /nfs/dbraw/zinc/20/56/39/197205639.db2.gz DWVOJXIPEFKXAA-HOTGVXAUSA-N 0 0 307.415 2.247 10 30 DEEERN CC(C)Cc1ccc([C@@H](O)[C@@]2(C#N)CCS(=O)(=O)C2)cc1 ZINC000157664691 197205376 /nfs/dbraw/zinc/20/53/76/197205376.db2.gz DWVOJXIPEFKXAA-HZPDHXFCSA-N 0 0 307.415 2.247 10 30 DEEERN O=C(NC[C@H]1CCCCS1)c1cc(F)ccc1C#CCO ZINC000156559308 197124038 /nfs/dbraw/zinc/12/40/38/197124038.db2.gz YXHYYBRJMMBYQQ-CQSZACIVSA-N 0 0 307.390 2.185 10 30 DEEERN N#CCc1ccc(S(=O)(=O)NC[C@@H]2CCCCS2)cc1 ZINC000156424225 197112932 /nfs/dbraw/zinc/11/29/32/197112932.db2.gz SNBLYQAOGDTMGH-ZDUSSCGKSA-N 0 0 310.444 2.317 10 30 DEEERN Cc1oc(NC(=O)CN2CC[C@H]3OCCC[C@@H]3C2)c(C#N)c1C ZINC000155527784 197063696 /nfs/dbraw/zinc/06/36/96/197063696.db2.gz BYPIMKIRQIRLRL-UKRRQHHQSA-N 0 0 317.389 2.208 10 30 DEEERN C=CCO[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1cccnc1OC ZINC000247893295 257114794 /nfs/dbraw/zinc/11/47/94/257114794.db2.gz UKUAGVQYBKPGKY-OAGGEKHMSA-N 0 0 304.390 2.025 10 30 DEEERN C=CCO[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1ccc2c(c1)OCO2 ZINC000253375126 257105676 /nfs/dbraw/zinc/10/56/76/257105676.db2.gz OPXNAJWEEKDBCE-QGPMSJSTSA-N 0 0 317.385 2.350 10 30 DEEERN COC1=CC(=O)C(OC)[C@H](O)[C@@H]1C(=O)C=Cc1ccccc1 ZINC000100058401 224542848 /nfs/dbraw/zinc/54/28/48/224542848.db2.gz VADQFSASSSGAFZ-GUFYHEMZSA-N 0 0 302.326 2.206 10 30 DEEERN N#C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000121078864 195291023 /nfs/dbraw/zinc/29/10/23/195291023.db2.gz GXRJTKWCGPHUMH-NSHDSACASA-N 0 0 324.134 2.389 10 30 DEEERN C=CCCS(=O)(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000121611733 195315955 /nfs/dbraw/zinc/31/59/55/195315955.db2.gz ZCNATLDLCHVTSM-ZDUSSCGKSA-N 0 0 305.403 2.429 10 30 DEEERN Cc1ccc(N2C[C@H](C(=O)NC3(C#N)CCCC3)CC2=O)cc1 ZINC000121968368 195383460 /nfs/dbraw/zinc/38/34/60/195383460.db2.gz JAPIMLBQGUXWIS-CQSZACIVSA-N 0 0 311.385 2.301 10 30 DEEERN CC[C@H]1CN(C(=O)c2sccc2C#N)CCN1CC(F)F ZINC000125062045 195708152 /nfs/dbraw/zinc/70/81/52/195708152.db2.gz FMXGUNGZXRNXCV-NSHDSACASA-N 0 0 313.373 2.421 10 30 DEEERN N#Cc1ccc(S(=O)(=O)CCOCCC(F)(F)F)cc1 ZINC000125475684 195753892 /nfs/dbraw/zinc/75/38/92/195753892.db2.gz VUWJPBKBSZSTSE-UHFFFAOYSA-N 0 0 307.293 2.301 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N(C)CCC1CC1 ZINC000453461123 533537187 /nfs/dbraw/zinc/53/71/87/533537187.db2.gz NZTRHXUKEQBPQA-UHFFFAOYSA-N 0 0 315.425 2.194 10 30 DEEERN COC(=O)[C@]12CCC[C@@H]1CN(c1ncc(C#N)cc1Cl)C2 ZINC000302179445 533639236 /nfs/dbraw/zinc/63/92/36/533639236.db2.gz NPKYYFMINPTFBI-ABAIWWIYSA-N 0 0 305.765 2.386 10 30 DEEERN N#Cc1cccc(CNC(=O)NCc2ccc3cc[nH]c3n2)c1 ZINC000357592751 133087045 /nfs/dbraw/zinc/08/70/45/133087045.db2.gz BLOGIWNAYAXGLG-UHFFFAOYSA-N 0 0 305.341 2.434 10 30 DEEERN COCCOCc1ccc(C(=O)Nc2cc(C#N)ccn2)cc1 ZINC000362128198 133212871 /nfs/dbraw/zinc/21/28/71/133212871.db2.gz DIUJJFBJWIASGG-UHFFFAOYSA-N 0 0 311.341 2.369 10 30 DEEERN Cc1cc(C#N)nc(NC2CCN(c3ccc(C#N)cn3)CC2)n1 ZINC000376231366 133287382 /nfs/dbraw/zinc/28/73/82/133287382.db2.gz RHMZIUIQGVPGAZ-UHFFFAOYSA-N 0 0 319.372 2.004 10 30 DEEERN N#CCn1cc(-c2ccnc(N3CCOCC3)n2)c2ccccc21 ZINC000040383733 134711504 /nfs/dbraw/zinc/71/15/04/134711504.db2.gz MSEMOSVCTIRLGW-UHFFFAOYSA-N 0 0 319.368 2.458 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@H]1CCCN(c2ccccc2)C1 ZINC000350839638 404479858 /nfs/dbraw/zinc/47/98/58/404479858.db2.gz ZWNAPHSOTKRNJX-CVEARBPZSA-N 0 0 317.433 2.139 10 30 DEEERN CN(CC1CCC1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184648271 144947123 /nfs/dbraw/zinc/94/71/23/144947123.db2.gz CIBMGMVUWJDZQA-UHFFFAOYSA-N 0 0 310.361 2.403 10 30 DEEERN Cc1nn(C)c(C)c1CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187649235 145002297 /nfs/dbraw/zinc/00/22/97/145002297.db2.gz HNWZENCCKIFEGP-UHFFFAOYSA-N 0 0 308.385 2.257 10 30 DEEERN N#Cc1c(F)cccc1C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000187892302 145004511 /nfs/dbraw/zinc/00/45/11/145004511.db2.gz VUYYMSPQNQLLDP-UHFFFAOYSA-N 0 0 321.315 2.208 10 30 DEEERN C[C@@H](CC(=O)Nc1ccc(F)c(C#N)c1)N1CCCCC1=O ZINC000189338178 145026169 /nfs/dbraw/zinc/02/61/69/145026169.db2.gz MVUQNNVJXVICFR-NSHDSACASA-N 0 0 303.337 2.427 10 30 DEEERN CNC(=O)COc1cccc(OCc2ccc(C#N)c(F)c2)c1 ZINC000190122572 145038099 /nfs/dbraw/zinc/03/80/99/145038099.db2.gz QRLVTZWZTHUUPG-UHFFFAOYSA-N 0 0 314.316 2.401 10 30 DEEERN N#Cc1ccc([C@@H](O)CN2CCO[C@@H](c3nccs3)C2)cc1 ZINC000246132060 145093833 /nfs/dbraw/zinc/09/38/33/145093833.db2.gz ZRUZBKGOKMUKPR-LSDHHAIUSA-N 0 0 315.398 2.122 10 30 DEEERN Cc1ncc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1C#N ZINC000312677860 145354572 /nfs/dbraw/zinc/35/45/72/145354572.db2.gz CNLHBGDPHPBTJA-UHFFFAOYSA-N 0 0 308.750 2.111 10 30 DEEERN N#Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)ccn1 ZINC000348242915 146239579 /nfs/dbraw/zinc/23/95/79/146239579.db2.gz LFSQJUMYQOZONS-JKSUJKDBSA-N 0 0 311.316 2.040 10 30 DEEERN N#Cc1ccc(NCC(=O)Nc2cccc(-c3nc[nH]n3)c2)cc1 ZINC000358354011 147118167 /nfs/dbraw/zinc/11/81/67/147118167.db2.gz MUNXDJIIMXCHAJ-UHFFFAOYSA-N 0 0 318.340 2.394 10 30 DEEERN C[C@@H](Nc1cnn(CC(=O)N(C)C)c1)c1ccc(C#N)cc1F ZINC000358438501 147134366 /nfs/dbraw/zinc/13/43/66/147134366.db2.gz GKVBTDKTISBBBR-LLVKDONJSA-N 0 0 315.352 2.155 10 30 DEEERN CC(=O)c1ccc(CC(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000358698007 147184226 /nfs/dbraw/zinc/18/42/26/147184226.db2.gz CSYWWIPBBKQMJP-UHFFFAOYSA-N 0 0 322.364 2.499 10 30 DEEERN Cc1oc(NC(=O)[C@@H](C)N2CCO[C@H](C3CC3)C2)c(C#N)c1C ZINC000375334212 148360044 /nfs/dbraw/zinc/36/00/44/148360044.db2.gz RXKNHCCGNQSXKW-ABAIWWIYSA-N 0 0 317.389 2.206 10 30 DEEERN N#Cc1cc(S(=O)(=O)N2CCCSCC2)ccc1Cl ZINC000408009521 148554037 /nfs/dbraw/zinc/55/40/37/148554037.db2.gz VDRGMULYVNPDCL-UHFFFAOYSA-N 0 0 316.835 2.339 10 30 DEEERN N#Cc1ccc(F)cc1CN1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408041966 148557220 /nfs/dbraw/zinc/55/72/20/148557220.db2.gz FLVJDGBQKAIURC-KURKYZTESA-N 0 0 318.392 2.449 10 30 DEEERN CC1CCN(C(=O)CO/N=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000003330829 401724077 /nfs/dbraw/zinc/72/40/77/401724077.db2.gz WQYWOKGVQHGOBK-MHWRWJLKSA-N 0 0 305.334 2.204 10 30 DEEERN C=CCCOCCNC(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000127261216 401726466 /nfs/dbraw/zinc/72/64/66/401726466.db2.gz OIXUTKPHCWRSGI-MRXNPFEDSA-N 0 0 320.389 2.068 10 30 DEEERN CN(CCc1ccncc1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000074736660 401744381 /nfs/dbraw/zinc/74/43/81/401744381.db2.gz JCVKPLIHBVTFKG-UHFFFAOYSA-N 0 0 324.384 2.216 10 30 DEEERN Cn1cc([C@H]2CCCN2C(=O)Cc2ccc(OCC#N)cc2)cn1 ZINC000110710953 401693267 /nfs/dbraw/zinc/69/32/67/401693267.db2.gz AVLXKNCIQOUBJA-QGZVFWFLSA-N 0 0 324.384 2.229 10 30 DEEERN N#Cc1ccc2ncc(CNc3ccc(-n4ccnn4)cc3)n2c1 ZINC000126873381 401711955 /nfs/dbraw/zinc/71/19/55/401711955.db2.gz YPDFNMKMPJBFGU-UHFFFAOYSA-N 0 0 315.340 2.399 10 30 DEEERN N#CCCCS(=O)(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000111333519 401712133 /nfs/dbraw/zinc/71/21/33/401712133.db2.gz RIXNGUWWNGKVFU-INIZCTEOSA-N 0 0 315.398 2.394 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000112667352 401753086 /nfs/dbraw/zinc/75/30/86/401753086.db2.gz CBJADMFTAMKEFJ-CYBMUJFWSA-N 0 0 305.422 2.409 10 30 DEEERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NC1(C#N)CCCC1 ZINC000112903681 401761122 /nfs/dbraw/zinc/76/11/22/401761122.db2.gz DBRRATRXRLICBU-LBPRGKRZSA-N 0 0 300.362 2.149 10 30 DEEERN C#CCSCCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000130727888 401837832 /nfs/dbraw/zinc/83/78/32/401837832.db2.gz ZRLBIVZGCZIKJL-IUODEOHRSA-N 0 0 316.426 2.377 10 30 DEEERN C=CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000116906057 401864063 /nfs/dbraw/zinc/86/40/63/401864063.db2.gz JHNRAZOFLIALEB-SECBINFHSA-N 0 0 317.794 2.370 10 30 DEEERN N#CCCn1ccc(NC(=O)c2ccc(-c3ncon3)cc2)n1 ZINC000117713602 401882188 /nfs/dbraw/zinc/88/21/88/401882188.db2.gz HXZBJBWELCIWOV-UHFFFAOYSA-N 0 0 308.301 2.099 10 30 DEEERN N#CC1(NC(=O)c2cc3c(cc2F)NC(=O)CC3)CCCC1 ZINC000134973395 401922199 /nfs/dbraw/zinc/92/21/99/401922199.db2.gz CQGHKYQPTRNHGN-UHFFFAOYSA-N 0 0 301.321 2.277 10 30 DEEERN N#CCOc1cccc(CC(=O)N[C@H]2COc3ccccc32)c1 ZINC000089760020 401961273 /nfs/dbraw/zinc/96/12/73/401961273.db2.gz LUPDRXMLOPWZTI-INIZCTEOSA-N 0 0 308.337 2.381 10 30 DEEERN CCOC(=O)CC[C@H](C)NC(=O)c1c(F)cc(C#N)cc1F ZINC000089881798 401969770 /nfs/dbraw/zinc/96/97/70/401969770.db2.gz DDZAXIZRIDDNLG-VIFPVBQESA-N 0 0 310.300 2.298 10 30 DEEERN C=CCOc1cccc(NC(=O)NC[C@@]2(CCO)CCOC2)c1 ZINC000137206353 401980737 /nfs/dbraw/zinc/98/07/37/401980737.db2.gz OSRIITNAYCQOOF-QGZVFWFLSA-N 0 0 320.389 2.162 10 30 DEEERN O=C(ON1C(=O)C[C@H](c2ccccc2)C1=O)N1CCCCC1 ZINC000145872447 401991471 /nfs/dbraw/zinc/99/14/71/401991471.db2.gz GWNVUXVQIDMSQY-CYBMUJFWSA-N 0 0 302.330 2.067 10 30 DEEERN O=C(NCCc1ccc2ccccc2c1)ON1C(=O)CCC1=O ZINC000145653277 401991566 /nfs/dbraw/zinc/99/15/66/401991566.db2.gz OVKVDSFNYFTCDL-UHFFFAOYSA-N 0 0 312.325 2.173 10 30 DEEERN COC(=O)[C@H]1CCN(C(=O)c2ccc(C#N)cn2)c2ccccc21 ZINC000089228184 401939620 /nfs/dbraw/zinc/93/96/20/401939620.db2.gz XCZSKHHTRZGFIO-AWEZNQCLSA-N 0 0 321.336 2.260 10 30 DEEERN C=CCN(CC=C)C(=O)Cn1ccc2ccc(OC)cc2c1=O ZINC000089507293 401950310 /nfs/dbraw/zinc/95/03/10/401950310.db2.gz JAXWOUZPCTWYPS-UHFFFAOYSA-N 0 0 312.369 2.211 10 30 DEEERN C=C(C)COCCNC(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000152835145 402111485 /nfs/dbraw/zinc/11/14/85/402111485.db2.gz LBXHYTGJWBPCRC-MRXNPFEDSA-N 0 0 320.389 2.068 10 30 DEEERN C=C(C)CNC(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000154256870 402202303 /nfs/dbraw/zinc/20/23/03/402202303.db2.gz WKZXSJVDQXOCSG-UHFFFAOYSA-N 0 0 305.397 2.274 10 30 DEEERN C=CCNC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000102545048 402168155 /nfs/dbraw/zinc/16/81/55/402168155.db2.gz OONWQEFYUSSWBB-UHFFFAOYSA-N 0 0 313.361 2.207 10 30 DEEERN CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1CCCCO1 ZINC000106866398 402218703 /nfs/dbraw/zinc/21/87/03/402218703.db2.gz VESLOKGRHZMHAV-WBVHZDCISA-N 0 0 307.438 2.076 10 30 DEEERN CCc1ccccc1N1C[C@H](C(=O)N[C@H](C#N)C2CC2)CC1=O ZINC000108833747 402262383 /nfs/dbraw/zinc/26/23/83/402262383.db2.gz KPROWLZXTDMTSW-HUUCEWRRSA-N 0 0 311.385 2.020 10 30 DEEERN COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C#N)C1CC1 ZINC000108836789 402262519 /nfs/dbraw/zinc/26/25/19/402262519.db2.gz ABHDGLYPUDIURK-CQSZACIVSA-N 0 0 313.357 2.144 10 30 DEEERN Cc1c(C(=O)N[C@H](C#N)C2CC2)nnn1-c1ccccc1Cl ZINC000108834261 402262634 /nfs/dbraw/zinc/26/26/34/402262634.db2.gz ZGJVJYHUQPEOLQ-GFCCVEGCSA-N 0 0 315.764 2.261 10 30 DEEERN C=CCCCN(C)C(=O)NCCc1nnc2n1CCCCC2 ZINC000125102347 402212914 /nfs/dbraw/zinc/21/29/14/402212914.db2.gz VFYFYBAWXRQICC-UHFFFAOYSA-N 0 0 305.426 2.155 10 30 DEEERN C=C[C@@H](C)NC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1 ZINC000155737776 402265778 /nfs/dbraw/zinc/26/57/78/402265778.db2.gz WPZCPPGGWOETJW-PBHICJAKSA-N 0 0 323.396 2.113 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CC(OCCCOC)C1 ZINC000176511391 402316118 /nfs/dbraw/zinc/31/61/18/402316118.db2.gz SXMWAWIERCSQMT-UHFFFAOYSA-N 0 0 305.374 2.129 10 30 DEEERN N#Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)ccn1 ZINC000225423243 402317395 /nfs/dbraw/zinc/31/73/95/402317395.db2.gz OSMVCALEBGDHDA-JKSUJKDBSA-N 0 0 311.316 2.040 10 30 DEEERN CCn1cc(C2CCN(S(=O)(=O)CCCCC#N)CC2)cn1 ZINC000159264776 402320424 /nfs/dbraw/zinc/32/04/24/402320424.db2.gz KODKKOBARORFBO-UHFFFAOYSA-N 0 0 324.450 2.106 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2c2ccccc2)s1 ZINC000230338618 402350897 /nfs/dbraw/zinc/35/08/97/402350897.db2.gz YQCPLEXHPPQZCQ-OLZOCXBDSA-N 0 0 304.396 2.454 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCc2cc(S(=O)(=O)NC)ccc21 ZINC000185782558 402377079 /nfs/dbraw/zinc/37/70/79/402377079.db2.gz XYDPAMYKVQBYKQ-LBPRGKRZSA-N 0 0 322.430 2.086 10 30 DEEERN C#CCC(C)(C)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000185833010 402381151 /nfs/dbraw/zinc/38/11/51/402381151.db2.gz FDMSNECDXGAHRK-CQSZACIVSA-N 0 0 300.402 2.440 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(OC)c(OCC(N)=O)c1 ZINC000185157238 402329621 /nfs/dbraw/zinc/32/96/21/402329621.db2.gz JGOFWGPTEFPVFN-NSHDSACASA-N 0 0 306.362 2.100 10 30 DEEERN C#CCC(C)(C)C(=O)Nc1cccc2c1CCN2C(=O)COC ZINC000186049706 402398223 /nfs/dbraw/zinc/39/82/23/402398223.db2.gz ARLKVCFLSLGLIY-UHFFFAOYSA-N 0 0 314.385 2.210 10 30 DEEERN C=C(C)COCCNC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000178000422 402451159 /nfs/dbraw/zinc/45/11/59/402451159.db2.gz HRLGEJAHBONPQW-GFCCVEGCSA-N 0 0 306.362 2.368 10 30 DEEERN N#Cc1csc(C(=O)N2CCCN(c3ccccn3)CC2)c1 ZINC000186420118 402430346 /nfs/dbraw/zinc/43/03/46/402430346.db2.gz ATSFDEGHPUXVAY-UHFFFAOYSA-N 0 0 312.398 2.367 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000185932891 402390170 /nfs/dbraw/zinc/39/01/70/402390170.db2.gz NKTQGGQRBFLFCO-LBPRGKRZSA-N 0 0 318.348 2.467 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000185934840 402390701 /nfs/dbraw/zinc/39/07/01/402390701.db2.gz SXWKWDLXSSFBMZ-AWEZNQCLSA-N 0 0 311.385 2.417 10 30 DEEERN CO[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[C@H]1C ZINC000187747831 402510053 /nfs/dbraw/zinc/51/00/53/402510053.db2.gz UBSKSKHCBQINNX-CZUORRHYSA-N 0 0 302.374 2.015 10 30 DEEERN C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)c1ccc(F)c(F)c1 ZINC000170655483 402510985 /nfs/dbraw/zinc/51/09/85/402510985.db2.gz PGWGEFKHIGOONF-SECBINFHSA-N 0 0 323.324 2.271 10 30 DEEERN COc1ccc(O)cc1C(=O)NCc1ccc(C#N)cc1F ZINC000186672604 402453711 /nfs/dbraw/zinc/45/37/11/402453711.db2.gz DADZCZJDTLVNST-UHFFFAOYSA-N 0 0 300.289 2.342 10 30 DEEERN CCc1c(C(=O)N[C@H](C#N)C2CC2)cnn1-c1ccc(OC)cc1 ZINC000186673793 402454055 /nfs/dbraw/zinc/45/40/55/402454055.db2.gz IVIFSZJVJOBOLV-MRXNPFEDSA-N 0 0 324.384 2.475 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3sccc3C#N)[C@H]2C1 ZINC000245679298 402478435 /nfs/dbraw/zinc/47/84/35/402478435.db2.gz GTGJBSKASRDJIF-FRRDWIJNSA-N 0 0 306.387 2.028 10 30 DEEERN C=CCC[C@@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)c1ccccc1 ZINC000189720291 402554501 /nfs/dbraw/zinc/55/45/01/402554501.db2.gz SSBCIRZWTQMWAY-GDBMZVCRSA-N 0 0 321.442 2.382 10 30 DEEERN C=CCCOCCNC(=O)NCC[C@H]1C(=O)Nc2ccccc21 ZINC000178923940 402555594 /nfs/dbraw/zinc/55/55/94/402555594.db2.gz GFZNLOCVMDMCGG-CQSZACIVSA-N 0 0 317.389 2.004 10 30 DEEERN C=CCn1c(S[C@H]2CCNC2=O)nnc1-c1ccccc1 ZINC000179004370 402564275 /nfs/dbraw/zinc/56/42/75/402564275.db2.gz QKXJXKUKAAAKDP-LBPRGKRZSA-N 0 0 300.387 2.112 10 30 DEEERN N#CCSCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000170854681 402533272 /nfs/dbraw/zinc/53/32/72/402533272.db2.gz VPSNGVVGJKZHLB-LBPRGKRZSA-N 0 0 304.371 2.336 10 30 DEEERN N#Cc1nccn1CCCCCn1nnc(-c2ccccc2)n1 ZINC000179865262 402602557 /nfs/dbraw/zinc/60/25/57/402602557.db2.gz JZBHCEJMHRWLIV-UHFFFAOYSA-N 0 0 307.361 2.279 10 30 DEEERN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000248742952 402606534 /nfs/dbraw/zinc/60/65/34/402606534.db2.gz DTKXAAPLRLCMLM-JJLQDPRZSA-N 0 0 312.373 2.342 10 30 DEEERN C=CCOc1cccc(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000180108556 402607979 /nfs/dbraw/zinc/60/79/79/402607979.db2.gz NLBJTDCGSPXQGY-MRXNPFEDSA-N 0 0 314.389 2.251 10 30 DEEERN N#CC1(CS(=O)(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000180396557 402615074 /nfs/dbraw/zinc/61/50/74/402615074.db2.gz FKSMGKFIXJOHSM-UHFFFAOYSA-N 0 0 315.398 2.160 10 30 DEEERN COc1ccc(-c2cnc(Cn3cnc(C#N)c3C#N)o2)cc1 ZINC000180414487 402615656 /nfs/dbraw/zinc/61/56/56/402615656.db2.gz FBIOAMHRTWZQAT-UHFFFAOYSA-N 0 0 305.297 2.338 10 30 DEEERN N#CC1(c2ccc(C(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)cc2)CC1 ZINC000180535987 402619522 /nfs/dbraw/zinc/61/95/22/402619522.db2.gz GDXHUANFNJQSTD-JKSUJKDBSA-N 0 0 323.396 2.125 10 30 DEEERN COc1ccc(C(=O)NC2(C#N)CCCC2)nc1Br ZINC000180588766 402620863 /nfs/dbraw/zinc/62/08/63/402620863.db2.gz SPZFJMPPOAYAEM-UHFFFAOYSA-N 0 0 324.178 2.419 10 30 DEEERN COc1ccc(C[C@@H](C)C(=O)N[C@@H](C#N)C2CC2)cc1OC ZINC000180750651 402625350 /nfs/dbraw/zinc/62/53/50/402625350.db2.gz PYLCOVLJTQTGJZ-RISCZKNCSA-N 0 0 302.374 2.301 10 30 DEEERN N#C[C@H](NC(=O)c1[nH]nc2ccc(Br)cc21)C1CC1 ZINC000171829494 402626225 /nfs/dbraw/zinc/62/62/25/402626225.db2.gz ZMLSQHVKCLWCQT-NSHDSACASA-N 0 0 319.162 2.357 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000180947279 402631077 /nfs/dbraw/zinc/63/10/77/402631077.db2.gz PJNIFUMRUDJPFL-STQMWFEESA-N 0 0 321.425 2.303 10 30 DEEERN C[C@@H]1C[C@H]1C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000249728299 402639733 /nfs/dbraw/zinc/63/97/33/402639733.db2.gz VBJLHYZOGAITQB-HONMWMINSA-N 0 0 315.398 2.054 10 30 DEEERN COC(=O)C1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000181388711 402643394 /nfs/dbraw/zinc/64/33/94/402643394.db2.gz UWGABMCLPXBUMM-UHFFFAOYSA-N 0 0 312.369 2.267 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181735115 402656004 /nfs/dbraw/zinc/65/60/04/402656004.db2.gz QKJCHXCFEJJINC-CYBMUJFWSA-N 0 0 305.426 2.324 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1nnc2n1CCCC2 ZINC000173623880 402705386 /nfs/dbraw/zinc/70/53/86/402705386.db2.gz PKDWAMUUVQEGCV-UONOGXRCSA-N 0 0 319.453 2.078 10 30 DEEERN C[C@H]1CN(CC#Cc2ccc(Cl)cc2)CCS(=O)(=O)C1 ZINC000192105371 402711052 /nfs/dbraw/zinc/71/10/52/402711052.db2.gz PRLVTFBZLRMOHI-ZDUSSCGKSA-N 0 0 311.834 2.058 10 30 DEEERN Cc1ncc(CN2CCN(CCCSCC#N)CC2)s1 ZINC000173884248 402717190 /nfs/dbraw/zinc/71/71/90/402717190.db2.gz LWYPLKYOWNVMGY-UHFFFAOYSA-N 0 0 310.492 2.216 10 30 DEEERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)N[C@H](C#N)C2CC2)C1 ZINC000253550827 402668720 /nfs/dbraw/zinc/66/87/20/402668720.db2.gz YQDIGGFQALMWKW-JHJVBQTASA-N 0 0 307.394 2.098 10 30 DEEERN C=CCc1cccc(C=NNc2nnc(SCC#N)[nH]2)c1O ZINC000254704722 402671269 /nfs/dbraw/zinc/67/12/69/402671269.db2.gz QCGSEZHVVDHVOH-UHFFFAOYSA-N 0 0 314.374 2.300 10 30 DEEERN C#CCCCNC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000173319228 402692361 /nfs/dbraw/zinc/69/23/61/402692361.db2.gz AVTDDNMJGIENSS-AWEZNQCLSA-N 0 0 311.389 2.032 10 30 DEEERN COc1ccc(Br)cc1CC(=O)N[C@@H](C)CC#N ZINC000173329491 402692673 /nfs/dbraw/zinc/69/26/73/402692673.db2.gz YEXXHZPNDDLDJV-VIFPVBQESA-N 0 0 311.179 2.419 10 30 DEEERN Cc1csc([C@H]2CCCN(C(=O)C3(C#N)CCOCC3)C2)n1 ZINC000173412000 402696478 /nfs/dbraw/zinc/69/64/78/402696478.db2.gz WUWJMRFPMPAGEX-ZDUSSCGKSA-N 0 0 319.430 2.478 10 30 DEEERN C[C@@H](CC#N)N(C)C(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000173527745 402701233 /nfs/dbraw/zinc/70/12/33/402701233.db2.gz GUMYCPVRVMBEQU-AWEZNQCLSA-N 0 0 313.401 2.299 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000183617520 402782169 /nfs/dbraw/zinc/78/21/69/402782169.db2.gz BQZPMGOUJZDOJD-DGCLKSJQSA-N 0 0 312.797 2.344 10 30 DEEERN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1OCC#N ZINC000175005073 402770830 /nfs/dbraw/zinc/77/08/30/402770830.db2.gz IRHKPFOCZXIWPH-HUUCEWRRSA-N 0 0 313.401 2.288 10 30 DEEERN COCCC[C@@H](C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183681422 402788835 /nfs/dbraw/zinc/78/88/35/402788835.db2.gz DBDBQIIOHQLXAQ-GFCCVEGCSA-N 0 0 313.361 2.140 10 30 DEEERN Cc1nc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c(C)s1 ZINC000183689063 402789177 /nfs/dbraw/zinc/78/91/77/402789177.db2.gz PCQZJMZHLULNEH-UHFFFAOYSA-N 0 0 324.369 2.465 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000183759211 402795146 /nfs/dbraw/zinc/79/51/46/402795146.db2.gz CLNBROAFIKKLDT-STQMWFEESA-N 0 0 316.323 2.396 10 30 DEEERN CC[C@H](CC#N)NC(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000183872796 402803133 /nfs/dbraw/zinc/80/31/33/402803133.db2.gz SGFJNFBBCVLSEF-MRXNPFEDSA-N 0 0 313.401 2.347 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)COc1ccc(C=O)cc1 ZINC000263874066 402814801 /nfs/dbraw/zinc/81/48/01/402814801.db2.gz JHCCLARDZYMYLE-UHFFFAOYSA-N 0 0 301.264 2.455 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NCc1nccn1C(F)F ZINC000195011068 402826682 /nfs/dbraw/zinc/82/66/82/402826682.db2.gz OFQFZSQHHROQEK-JTQLQIEISA-N 0 0 320.299 2.234 10 30 DEEERN Cc1cccc(NC(=O)CN(C)C(=O)c2ccnc(C#N)c2)c1C ZINC000195021025 402827634 /nfs/dbraw/zinc/82/76/34/402827634.db2.gz XPKPDKCRPIFLKG-UHFFFAOYSA-N 0 0 322.368 2.281 10 30 DEEERN CCCCN1CCOC[C@@H]1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000184240644 402829475 /nfs/dbraw/zinc/82/94/75/402829475.db2.gz UXJJKCIWWSXUOP-QGZVFWFLSA-N 0 0 315.417 2.018 10 30 DEEERN CC(C)c1nc(CCNC(=O)c2cc(C#N)cn2C)cs1 ZINC000175947115 402844079 /nfs/dbraw/zinc/84/40/79/402844079.db2.gz JGDXXDVGXZILJU-UHFFFAOYSA-N 0 0 302.403 2.449 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@@H](CC)Oc1ccccc1F ZINC000183651994 402785951 /nfs/dbraw/zinc/78/59/51/402785951.db2.gz FOAOJFXRCZXKDR-CHWSQXEVSA-N 0 0 310.369 2.219 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@@H](CC)Oc1cccc(C)c1 ZINC000183660283 402786435 /nfs/dbraw/zinc/78/64/35/402786435.db2.gz NUSWJCVECGFQCE-LSDHHAIUSA-N 0 0 306.406 2.389 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000183662524 402786619 /nfs/dbraw/zinc/78/66/19/402786619.db2.gz DOROOHOIPTVMOQ-GOEBONIOSA-N 0 0 320.389 2.303 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)c2cccc(Cl)n2)cn1 ZINC000183669411 402786931 /nfs/dbraw/zinc/78/69/31/402786931.db2.gz BQCSLHVFSIQNAT-UHFFFAOYSA-N 0 0 324.731 2.440 10 30 DEEERN C=CCCCN(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183671407 402787474 /nfs/dbraw/zinc/78/74/74/402787474.db2.gz VTQRVPSPTRRBSL-UHFFFAOYSA-N 0 0 312.391 2.365 10 30 DEEERN C=CCCOCCNC(=O)Nc1ncn(C2CCCCC2)n1 ZINC000184511786 402847963 /nfs/dbraw/zinc/84/79/63/402847963.db2.gz KJROBVSAPLDUCR-UHFFFAOYSA-N 0 0 307.398 2.498 10 30 DEEERN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000195506478 402848141 /nfs/dbraw/zinc/84/81/41/402848141.db2.gz MFMXTBMGZVLNQG-ZDUSSCGKSA-N 0 0 323.400 2.488 10 30 DEEERN C=CCCCNC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000279038976 402897784 /nfs/dbraw/zinc/89/77/84/402897784.db2.gz ADKXOCHZBSYEPB-OAHLLOKOSA-N 0 0 319.380 2.192 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CCSc1n[nH]c(C)n1 ZINC000266797579 402992488 /nfs/dbraw/zinc/99/24/88/402992488.db2.gz ZGNDZNVHAHPVFA-UHFFFAOYSA-N 0 0 308.329 2.172 10 30 DEEERN C=CCNC(=O)c1ccc(N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)nc1 ZINC000273326410 402994589 /nfs/dbraw/zinc/99/45/89/402994589.db2.gz QEXRKCWBXPNNBV-CABCVRRESA-N 0 0 317.433 2.231 10 30 DEEERN C=C(C)CS(=O)(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000280637984 403022025 /nfs/dbraw/zinc/02/20/25/403022025.db2.gz UOOOYQOEMMFWHB-AWEZNQCLSA-N 0 0 324.446 2.017 10 30 DEEERN C=CC[C@H](CC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000281502008 403069862 /nfs/dbraw/zinc/06/98/62/403069862.db2.gz KWUVARLFRBZQED-JTQLQIEISA-N 0 0 314.363 2.236 10 30 DEEERN C=CC[C@H](CC)NC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000281602136 403073817 /nfs/dbraw/zinc/07/38/17/403073817.db2.gz RXCBWEAPYRFDAK-LSDHHAIUSA-N 0 0 319.453 2.351 10 30 DEEERN C=C(C)CCN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O ZINC000274761604 403085243 /nfs/dbraw/zinc/08/52/43/403085243.db2.gz QZNAWCCQCJSUKM-KRWDZBQOSA-N 0 0 316.357 2.235 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@@H](CC)C1 ZINC000282420570 403152351 /nfs/dbraw/zinc/15/23/51/403152351.db2.gz XXVYCCGLWSKZKH-ZIAGYGMSSA-N 0 0 306.410 2.178 10 30 DEEERN Cc1cc(F)cc2c1ncc(C#N)c2N1CC(=O)N(C)[C@@H](C)C1 ZINC000283480430 403200547 /nfs/dbraw/zinc/20/05/47/403200547.db2.gz KFPRJWQAGSILOH-NSHDSACASA-N 0 0 312.348 2.221 10 30 DEEERN C=CCCCCNC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000277573557 403232404 /nfs/dbraw/zinc/23/24/04/403232404.db2.gz XVGWXEFGEBCQLZ-LBPRGKRZSA-N 0 0 304.394 2.265 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N(C)CCC(=O)NC ZINC000283439964 403197721 /nfs/dbraw/zinc/19/77/21/403197721.db2.gz YUKYZIYNFKQAPS-UHFFFAOYSA-N 0 0 307.442 2.015 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)Cn1ccnc1 ZINC000284953757 403273807 /nfs/dbraw/zinc/27/38/07/403273807.db2.gz DZTLNKNGVGJLJU-WBVHZDCISA-N 0 0 310.401 2.205 10 30 DEEERN C=C[C@@H](CC(=O)N[C@H](C)C1(S(C)(=O)=O)CC1)c1ccccc1 ZINC000342699952 403312757 /nfs/dbraw/zinc/31/27/57/403312757.db2.gz PTKQZQYBJYBONP-KGLIPLIRSA-N 0 0 321.442 2.428 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](CC)C(C)(C)O ZINC000298088397 403318416 /nfs/dbraw/zinc/31/84/16/403318416.db2.gz VZKYMDFCGGCSGM-CVEARBPZSA-N 0 0 302.418 2.470 10 30 DEEERN C=CCOc1ccccc1C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C ZINC000286006179 403429355 /nfs/dbraw/zinc/42/93/55/403429355.db2.gz SJVOUKALZWKMHS-XJKSGUPXSA-N 0 0 321.417 2.139 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCCCC(=O)OC ZINC000286475224 403531226 /nfs/dbraw/zinc/53/12/26/403531226.db2.gz AEDGHIGBKKHRAM-INIZCTEOSA-N 0 0 316.401 2.264 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(OC)c(OCCOC)c1 ZINC000286984944 403550777 /nfs/dbraw/zinc/55/07/77/403550777.db2.gz CFZGBCDFZAUTHG-UHFFFAOYSA-N 0 0 315.369 2.322 10 30 DEEERN C=C(CNC(=O)CNC(=O)c1ccsc1)c1ccccc1 ZINC000345881559 403518870 /nfs/dbraw/zinc/51/88/70/403518870.db2.gz ZDXAFHZPWYBSJI-UHFFFAOYSA-N 0 0 300.383 2.308 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCc1c(C)cccc1C ZINC000287310757 403573361 /nfs/dbraw/zinc/57/33/61/403573361.db2.gz NNILUMFLQVLAJR-UHFFFAOYSA-N 0 0 302.418 2.387 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCn1cccn1 ZINC000287522163 403615959 /nfs/dbraw/zinc/61/59/59/403615959.db2.gz VBEYBJQJXDZMQA-KRWDZBQOSA-N 0 0 310.401 2.159 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCCC[C@H]1CC(=O)NCC)OCC ZINC000347290015 403651940 /nfs/dbraw/zinc/65/19/40/403651940.db2.gz LUBPUHWFGJUOBS-GJZGRUSLSA-N 0 0 310.438 2.265 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccc2c(n1)CCCC2 ZINC000287924044 403692365 /nfs/dbraw/zinc/69/23/65/403692365.db2.gz CYSKTXHNVQGBJV-UHFFFAOYSA-N 0 0 315.417 2.001 10 30 DEEERN C=CCCCCCN(C)C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000347427273 403706048 /nfs/dbraw/zinc/70/60/48/403706048.db2.gz FEAIDCAGSUDDIO-CYBMUJFWSA-N 0 0 316.467 2.340 10 30 DEEERN C=CC[C@@H](CO)Nc1ccc(-c2nc(CC)cc(=O)[nH]2)cn1 ZINC000302131832 403708094 /nfs/dbraw/zinc/70/80/94/403708094.db2.gz KOMXHSCWTNRIFG-ZDUSSCGKSA-N 0 0 300.362 2.156 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCCC[C@@H]1O ZINC000288043063 403714717 /nfs/dbraw/zinc/71/47/17/403714717.db2.gz DUMGXSBQXWCQMW-IKGGRYGDSA-N 0 0 300.402 2.224 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@@H](C)Cc1cccs1 ZINC000288172010 403738651 /nfs/dbraw/zinc/73/86/51/403738651.db2.gz POIXKOXRXGRTHX-ZDUSSCGKSA-N 0 0 308.447 2.468 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC(Oc2cc(C)ccn2)CC1 ZINC000288456202 403755106 /nfs/dbraw/zinc/75/51/06/403755106.db2.gz IOIQSHRNVNXJQX-UHFFFAOYSA-N 0 0 310.397 2.423 10 30 DEEERN C=C(C)C[C@H](C)c1nc(CC(=O)N2C[C@@H](C)O[C@H](C)C2)no1 ZINC000289087033 403829346 /nfs/dbraw/zinc/82/93/46/403829346.db2.gz NLNPPYMNEDIJNM-YNEHKIRRSA-N 0 0 307.394 2.318 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@H](C)c1nc(C)cs1 ZINC000288943767 403797418 /nfs/dbraw/zinc/79/74/18/403797418.db2.gz JGXXASJUEVDKBX-NSHDSACASA-N 0 0 309.435 2.096 10 30 DEEERN C=CCN1CC[C@@H](Nc2ccc(NC(=O)C(C)C)cc2)C1=O ZINC000347849003 403908490 /nfs/dbraw/zinc/90/84/90/403908490.db2.gz ILSASXSHBFDVGJ-OAHLLOKOSA-N 0 0 301.390 2.480 10 30 DEEERN N#C[C@H]1CN(C(=O)CCc2ccc3[nH]ccc3c2)CCN1C1CC1 ZINC000362044438 403919408 /nfs/dbraw/zinc/91/94/08/403919408.db2.gz IXDLDSCSORQQBY-KRWDZBQOSA-N 0 0 322.412 2.299 10 30 DEEERN CC(C)[C@H](C#N)NC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 ZINC000362057763 403921877 /nfs/dbraw/zinc/92/18/77/403921877.db2.gz OTBHAHWVIIJADW-YJBOKZPZSA-N 0 0 313.401 2.346 10 30 DEEERN C=CCSc1ccccc1C(=O)N[C@@H](C)Cn1cncn1 ZINC000362388207 403952412 /nfs/dbraw/zinc/95/24/12/403952412.db2.gz FOEFCWOECLYIQM-LBPRGKRZSA-N 0 0 302.403 2.375 10 30 DEEERN C#Cc1ccc(CNC(=O)[C@@H](C)NC(=O)CC(C)(C)C)cc1 ZINC000295550825 403984543 /nfs/dbraw/zinc/98/45/43/403984543.db2.gz SUCDRLOAQOVBAI-CYBMUJFWSA-N 0 0 300.402 2.225 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(OCCOC)nc1 ZINC000362800218 403988876 /nfs/dbraw/zinc/98/88/76/403988876.db2.gz CCYAHPZLPZOBTF-ZFWWWQNUSA-N 0 0 306.362 2.027 10 30 DEEERN CC(C)C[C@](C)(C#N)NC(=O)[C@H]1CN(C)C(=O)c2ccccc21 ZINC000362796933 403988884 /nfs/dbraw/zinc/98/88/84/403988884.db2.gz XSBMEQRPMXWKOL-MAUKXSAKSA-N 0 0 313.401 2.300 10 30 DEEERN C=CCn1c(C2CCC2)nnc1N1CCc2cc[nH]c(=O)c2C1 ZINC000289774472 403998355 /nfs/dbraw/zinc/99/83/55/403998355.db2.gz SLGLNTBONNZRNU-UHFFFAOYSA-N 0 0 311.389 2.395 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CC(Cc2cc(OC)cc(OC)c2)C1 ZINC000354884814 404080393 /nfs/dbraw/zinc/08/03/93/404080393.db2.gz SCIYOCFOVMJSKV-SFHVURJKSA-N 0 0 319.401 2.032 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CCC[C@H](c2ccncn2)C1 ZINC000363013520 404043903 /nfs/dbraw/zinc/04/39/03/404043903.db2.gz BTGLKIOCFVIUNS-HNNXBMFYSA-N 0 0 302.422 2.081 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)C[C@@H]3CCCCO3)C2)n1 ZINC000328612141 404113551 /nfs/dbraw/zinc/11/35/51/404113551.db2.gz OAMIHRUPGKOLDK-KGLIPLIRSA-N 0 0 320.393 2.224 10 30 DEEERN Cc1nscc1C(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000328610698 404113923 /nfs/dbraw/zinc/11/39/23/404113923.db2.gz IXKQZBWMOQRRFO-QWHCGFSZSA-N 0 0 306.391 2.328 10 30 DEEERN COc1ccc(CN2CC[C@H](n3ccc(NC(C)=O)n3)C2)cn1 ZINC000328619309 404114620 /nfs/dbraw/zinc/11/46/20/404114620.db2.gz FSGFWEYOLGEFOK-AWEZNQCLSA-N 0 0 315.377 2.342 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CC[N@H+](CCOCC(F)(F)F)C2)n1 ZINC000328618728 404115792 /nfs/dbraw/zinc/11/57/92/404115792.db2.gz DZKOEOLQBCUJRW-LLVKDONJSA-N 0 0 320.315 2.317 10 30 DEEERN C=CCN1C(=O)N([C@@H](C)COCC)C(=O)[C@@H]1Cc1ccccc1 ZINC000349037778 404118664 /nfs/dbraw/zinc/11/86/64/404118664.db2.gz AALZCHDNPLXMEH-HOCLYGCPSA-N 0 0 316.401 2.473 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)NC[C@]1(C)CCCO1)CCC2 ZINC000328639997 404122957 /nfs/dbraw/zinc/12/29/57/404122957.db2.gz CHKZFMSOQNQEOS-BBRMVZONSA-N 0 0 306.410 2.142 10 30 DEEERN C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@@](C)(F)C2)c(F)c1 ZINC000296221050 404149008 /nfs/dbraw/zinc/14/90/08/404149008.db2.gz MVTLLALYLFAFSV-MRXNPFEDSA-N 0 0 324.302 2.235 10 30 DEEERN CC1(C)C[C@H]([NH+]=C([O-])N2CCC[C@H]2Cn2ccnn2)C(C)(C)O1 ZINC000329044299 404212146 /nfs/dbraw/zinc/21/21/46/404212146.db2.gz JBYLULZDKUFKJH-STQMWFEESA-N 0 0 321.425 2.003 10 30 DEEERN C=CCCCNC(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000344553331 404222529 /nfs/dbraw/zinc/22/25/29/404222529.db2.gz LRBUHZDPQLNMOK-LLVKDONJSA-N 0 0 308.328 2.400 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1 ZINC000349508427 404168269 /nfs/dbraw/zinc/16/82/69/404168269.db2.gz XKZXREFCECPMAA-AWEZNQCLSA-N 0 0 320.389 2.196 10 30 DEEERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000328918544 404174666 /nfs/dbraw/zinc/17/46/66/404174666.db2.gz AIAWUWDPNICVIZ-GBJTYRQASA-N 0 0 321.421 2.488 10 30 DEEERN O=C(C[C@@H]1NC(=O)NC1=O)Nc1ccc(N2CCCCC2)cn1 ZINC000328936868 404176811 /nfs/dbraw/zinc/17/68/11/404176811.db2.gz QZFAWDUTMCQFRG-NSHDSACASA-N 0 0 317.349 2.303 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCCC[C@@H](C)C1 ZINC000290462457 404177896 /nfs/dbraw/zinc/17/78/96/404177896.db2.gz SSKLCGSVOVDFEC-KGLIPLIRSA-N 0 0 306.410 2.178 10 30 DEEERN CCO[C@@H]1C[C@@H](NC(=O)c2sccc2C#N)[C@@]12CCCO2 ZINC000363976550 404273798 /nfs/dbraw/zinc/27/37/98/404273798.db2.gz SCMAALOLNBYPRK-JMSVASOKSA-N 0 0 306.387 2.076 10 30 DEEERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@@]1(CO)CCOC1 ZINC000329456069 404341933 /nfs/dbraw/zinc/34/19/33/404341933.db2.gz PXTSQUUIERIERU-SWLSCSKDSA-N 0 0 322.386 2.247 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(Cl)ncc1Br ZINC000290928051 404362619 /nfs/dbraw/zinc/36/26/19/404362619.db2.gz RMIMRYMONNSQDV-ZETCQYMHSA-N 0 0 319.586 2.164 10 30 DEEERN Cc1nc(N2CCN(C(=O)C(C)C)CC2)c(Cl)cc1C#N ZINC000290932722 404364588 /nfs/dbraw/zinc/36/45/88/404364588.db2.gz JKCBSTWTOCUSGD-UHFFFAOYSA-N 0 0 306.797 2.220 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000342109586 404373781 /nfs/dbraw/zinc/37/37/81/404373781.db2.gz GVOWBGMOIUPJGV-CQSZACIVSA-N 0 0 300.402 2.290 10 30 DEEERN Cc1nccn1CCNC(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000329558109 404376308 /nfs/dbraw/zinc/37/63/08/404376308.db2.gz FHDKNWWXZBZKFU-INIZCTEOSA-N 0 0 320.437 2.387 10 30 DEEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cn(C)nc1C1CC1 ZINC000329598524 404388853 /nfs/dbraw/zinc/38/88/53/404388853.db2.gz DCTKKYUIRHJDPG-LLVKDONJSA-N 0 0 315.381 2.058 10 30 DEEERN Cn1cc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(C2CC2)n1 ZINC000329603020 404389735 /nfs/dbraw/zinc/38/97/35/404389735.db2.gz GDGIDKNEYHFZKG-NILFDRSVSA-N 0 0 316.405 2.390 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000356088942 404389972 /nfs/dbraw/zinc/38/99/72/404389972.db2.gz WEERIHZVVMTSBH-CABCVRRESA-N 0 0 307.438 2.385 10 30 DEEERN C#CCOc1ccc(CNC(=O)N2CC[C@H](C)[C@@H](OC)C2)cc1 ZINC000296957172 404390215 /nfs/dbraw/zinc/39/02/15/404390215.db2.gz HTSDDHWMRRSOFC-YOEHRIQHSA-N 0 0 316.401 2.265 10 30 DEEERN C#Cc1ccc(CNC(=O)NCCNC(=O)[C@H](C)CCC)cc1 ZINC000296992053 404404358 /nfs/dbraw/zinc/40/43/58/404404358.db2.gz HUNHGCNHPPHKMT-CQSZACIVSA-N 0 0 315.417 2.020 10 30 DEEERN O=C(N[C@@H]1CCn2ccnc2C1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000329660689 404412683 /nfs/dbraw/zinc/41/26/83/404412683.db2.gz OESGVZVPFPBQAW-HIFRSBDPSA-N 0 0 300.406 2.376 10 30 DEEERN Cc1nnccc1NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000329668136 404416618 /nfs/dbraw/zinc/41/66/18/404416618.db2.gz LSXMHFQRBGHJLV-ZDUSSCGKSA-N 0 0 320.418 2.465 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000342174907 404421981 /nfs/dbraw/zinc/42/19/81/404421981.db2.gz FARWCGLYOZRSEB-WWGRRREGSA-N 0 0 316.401 2.196 10 30 DEEERN C[C@H]1C(=O)NCCCN1C(=O)CCNC(=O)C1CCCCC1 ZINC000329919475 404495304 /nfs/dbraw/zinc/49/53/04/404495304.db2.gz DHYWVMBGYAPWFJ-LBPRGKRZSA-N 0 0 309.410 2.491 10 30 DEEERN C#CCOc1ccc(CNC(=O)c2cnn3c2CCCC3)cc1 ZINC000297222611 404506895 /nfs/dbraw/zinc/50/68/95/404506895.db2.gz ZSYCAZYGAACTNJ-UHFFFAOYSA-N 0 0 309.369 2.161 10 30 DEEERN CO[C@@H](C(=O)N1CCC[C@H](c2n[nH]cc2NC(C)=O)C1)C1CC1 ZINC000329956379 404507633 /nfs/dbraw/zinc/50/76/33/404507633.db2.gz PLIPFRJOKJDCRP-SWLSCSKDSA-N 0 0 320.393 2.149 10 30 DEEERN O=C(Nc1cncnc1)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000329785830 404451285 /nfs/dbraw/zinc/45/12/85/404451285.db2.gz XISMKPFINBZHBL-LBPRGKRZSA-N 0 0 306.391 2.156 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N(CCOC)[C@H]1CCOC1 ZINC000350731080 404452876 /nfs/dbraw/zinc/45/28/76/404452876.db2.gz YHLWKWPHMFOYQB-HNNXBMFYSA-N 0 0 322.453 2.294 10 30 DEEERN CC(C)N(C)c1ccc(CN2CCN(C3CC3)[C@@H](C#N)C2)cn1 ZINC000364745474 404526212 /nfs/dbraw/zinc/52/62/12/404526212.db2.gz DREGDMSGBUQJAZ-KRWDZBQOSA-N 0 0 313.449 2.098 10 30 DEEERN COc1ccc2c(c1)CCN(C([O-])=[NH+][C@@H]1CCO[C@@H]1C)CC2 ZINC000330205402 404586098 /nfs/dbraw/zinc/58/60/98/404586098.db2.gz CLASPRMQSUKENG-MLGOLLRUSA-N 0 0 304.390 2.187 10 30 DEEERN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C[N@@H+]1C1CC1 ZINC000330217404 404589576 /nfs/dbraw/zinc/58/95/76/404589576.db2.gz NWGDYLRIVXNFFT-ZNEHSRBWSA-N 0 0 318.421 2.079 10 30 DEEERN Cc1cc(=O)n(C)cc1NC(=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330082630 404546804 /nfs/dbraw/zinc/54/68/04/404546804.db2.gz HDENGMYFKPWDBC-XJKSGUPXSA-N 0 0 313.357 2.455 10 30 DEEERN C#CCCCCNC(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000365068813 404557240 /nfs/dbraw/zinc/55/72/40/404557240.db2.gz ULHOYPRCTRICRL-HNNXBMFYSA-N 0 0 302.422 2.424 10 30 DEEERN CC[C@@H](C)n1ncc(NC(=O)N2CCN(C3CC3)CC2)c1C ZINC000330129465 404560145 /nfs/dbraw/zinc/56/01/45/404560145.db2.gz OIOISNLPOLKSQF-GFCCVEGCSA-N 0 0 305.426 2.488 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000330128115 404560219 /nfs/dbraw/zinc/56/02/19/404560219.db2.gz DLMBYQZORJOSTM-OUCADQQQSA-N 0 0 307.394 2.412 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000330145390 404565213 /nfs/dbraw/zinc/56/52/13/404565213.db2.gz SEBCXTNKSJIYIO-HUUCEWRRSA-N 0 0 306.406 2.325 10 30 DEEERN COc1ccc(C#N)cc1NC(=O)N1CCO[C@H](C2CC2)C1 ZINC000330157863 404569262 /nfs/dbraw/zinc/56/92/62/404569262.db2.gz ZMKAKEFRYFEQCW-HNNXBMFYSA-N 0 0 301.346 2.223 10 30 DEEERN C#CCOc1ccc(CNC(=O)N2CCC([C@H](C)O)CC2)cc1 ZINC000297652202 404579955 /nfs/dbraw/zinc/57/99/55/404579955.db2.gz VUXCVBBLZCXZCJ-AWEZNQCLSA-N 0 0 316.401 2.001 10 30 DEEERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000330193307 404580392 /nfs/dbraw/zinc/58/03/92/404580392.db2.gz AGYGVXVOZFVLQO-YCPHGPKFSA-N 0 0 320.437 2.185 10 30 DEEERN Cc1nc(CNC(=O)N2CCc3cc[nH]c(=O)c3C2)sc1C ZINC000330273904 404611042 /nfs/dbraw/zinc/61/10/42/404611042.db2.gz ZWUNOJJAMCMYLB-UHFFFAOYSA-N 0 0 318.402 2.333 10 30 DEEERN O=C(NCC#Cc1ccccc1)NCc1ccc2cc[nH]c2n1 ZINC000357674615 404741457 /nfs/dbraw/zinc/74/14/57/404741457.db2.gz LOTHHHCZNFEVPV-UHFFFAOYSA-N 0 0 304.353 2.414 10 30 DEEERN C=CC[C@@H](C(=O)NCCc1nnc2n1CCC2)c1ccccc1 ZINC000357786981 404743400 /nfs/dbraw/zinc/74/34/00/404743400.db2.gz ILZNISMSGNJYFM-OAHLLOKOSA-N 0 0 310.401 2.243 10 30 DEEERN C=CCN(C)C(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000357969877 404750088 /nfs/dbraw/zinc/75/00/88/404750088.db2.gz SXTKZAFMXJENQD-UHFFFAOYSA-N 0 0 324.812 2.100 10 30 DEEERN CC[C@@H](OC1CCCCC1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000366184380 404768786 /nfs/dbraw/zinc/76/87/86/404768786.db2.gz VVRMWZCURTYAMN-NVXWUHKLSA-N 0 0 319.449 2.313 10 30 DEEERN C=CCNC(=O)N[C@H](CCO)c1ccccc1Br ZINC000359063287 404782887 /nfs/dbraw/zinc/78/28/87/404782887.db2.gz RGQUZQYZTAVMGH-GFCCVEGCSA-N 0 0 313.195 2.358 10 30 DEEERN C=CCc1ccc(OCC(=O)NC(C)(C)[C@@H](C)O)c(OC)c1 ZINC000359611453 404798003 /nfs/dbraw/zinc/79/80/03/404798003.db2.gz FXGKZAHVJMGFBP-GFCCVEGCSA-N 0 0 307.390 2.078 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000360082363 404816887 /nfs/dbraw/zinc/81/68/87/404816887.db2.gz KZXKEFQUVSDZRQ-DLBZAZTESA-N 0 0 323.400 2.423 10 30 DEEERN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)[C@@H](C)C#N ZINC000360334951 404826019 /nfs/dbraw/zinc/82/60/19/404826019.db2.gz FKJWPQBYQNMVBN-KSSFIOAISA-N 0 0 314.385 2.313 10 30 DEEERN C=CCOc1ccc(CN(C)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000353775704 404966053 /nfs/dbraw/zinc/96/60/53/404966053.db2.gz NQBZCUKNTPEAIW-HNNXBMFYSA-N 0 0 309.431 2.118 10 30 DEEERN C=CCOCCCC(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000435289620 404969784 /nfs/dbraw/zinc/96/97/84/404969784.db2.gz OHCFJCSOZYCKPS-CQSZACIVSA-N 0 0 302.374 2.211 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000361128864 404933708 /nfs/dbraw/zinc/93/37/08/404933708.db2.gz CZQDSHGXGLWBAI-ZIAGYGMSSA-N 0 0 310.438 2.121 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000361131308 404936640 /nfs/dbraw/zinc/93/66/40/404936640.db2.gz IQZQLWLMLVNLTN-CABCVRRESA-N 0 0 310.438 2.121 10 30 DEEERN C=CCOC[C@H](NC(=O)C/C=C/c1ccc(F)cc1)C(=O)OC ZINC000435932929 405028176 /nfs/dbraw/zinc/02/81/76/405028176.db2.gz DOPYKRWYZUUFHK-RGDDUWESSA-N 0 0 321.348 2.089 10 30 DEEERN C=CCOC[C@@H](NC(=O)C/C=C\c1ccc(F)cc1)C(=O)OC ZINC000435932927 405028183 /nfs/dbraw/zinc/02/81/83/405028183.db2.gz DOPYKRWYZUUFHK-FOSCPCJNSA-N 0 0 321.348 2.089 10 30 DEEERN C=CCOC[C@@H](NC(=O)C/C=C/c1cccc(F)c1)C(=O)OC ZINC000435946675 405031391 /nfs/dbraw/zinc/03/13/91/405031391.db2.gz ZGHLNSHOVARNKN-KEDPEKRHSA-N 0 0 321.348 2.089 10 30 DEEERN N#Cc1ccnc(N[C@@H]2CCCN(c3ccccc3C(N)=O)C2)c1 ZINC000367272693 404990200 /nfs/dbraw/zinc/99/02/00/404990200.db2.gz WNSIHBPRSMDNFY-CQSZACIVSA-N 0 0 321.384 2.133 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000361485205 405094699 /nfs/dbraw/zinc/09/46/99/405094699.db2.gz MLGBTJKTDBXJKI-BQFCYCMXSA-N 0 0 324.465 2.069 10 30 DEEERN N#Cc1cc(CN2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)ccc1F ZINC000408045799 405096310 /nfs/dbraw/zinc/09/63/10/405096310.db2.gz SZXWNUUUAWOLTH-CGTJXYLNSA-N 0 0 318.392 2.449 10 30 DEEERN C=CCNC(=O)NC(=O)[C@H](C)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451845729 405063126 /nfs/dbraw/zinc/06/31/26/405063126.db2.gz VIEASAXBBXLSQV-JSGCOSHPSA-N 0 0 317.389 2.207 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NC[C@@]1(C)OCCc2sccc21 ZINC000451849934 405066033 /nfs/dbraw/zinc/06/60/33/405066033.db2.gz LADCGUIZKZFDAK-MRXNPFEDSA-N 0 0 315.398 2.176 10 30 DEEERN C=CCC1(C(=O)N2CCN(c3ccccn3)CC2)CCOCC1 ZINC000424526705 405110221 /nfs/dbraw/zinc/11/02/21/405110221.db2.gz CCPXLNLKKVDXGJ-UHFFFAOYSA-N 0 0 315.417 2.103 10 30 DEEERN C=CCCn1cc(C(=O)Nc2cc(OC)c(OC)cc2C)nn1 ZINC000424536182 405111686 /nfs/dbraw/zinc/11/16/86/405111686.db2.gz OQICAPCYIWUNDN-UHFFFAOYSA-N 0 0 316.361 2.432 10 30 DEEERN CC#CCCNC(=O)N[C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000361530491 405118848 /nfs/dbraw/zinc/11/88/48/405118848.db2.gz JWIRSWZKGQLBON-INIZCTEOSA-N 0 0 314.364 2.361 10 30 DEEERN C=CCC1(C(=O)NCc2cccc(C(=O)OC)c2)CCOCC1 ZINC000424720994 405159073 /nfs/dbraw/zinc/15/90/73/405159073.db2.gz KTMHMRVUSJSWIC-UHFFFAOYSA-N 0 0 317.385 2.462 10 30 DEEERN C=CCC1(C(=O)NCCCCn2ccnc2C)CCOCC1 ZINC000424696722 405152336 /nfs/dbraw/zinc/15/23/36/405152336.db2.gz ZOJACJKSNNSMAP-UHFFFAOYSA-N 0 0 305.422 2.461 10 30 DEEERN C[C@@H](NC(=O)c1ccc(C#N)n1C)[C@@H]1OCCc2sccc21 ZINC000452130390 405188606 /nfs/dbraw/zinc/18/86/06/405188606.db2.gz YDQUHIOYVYBQNS-BMIGLBTASA-N 0 0 315.398 2.391 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000452241718 405204767 /nfs/dbraw/zinc/20/47/67/405204767.db2.gz CHEFHUFMWJLFIX-CHWSQXEVSA-N 0 0 307.415 2.276 10 30 DEEERN C=C(C)C(C)(C)C(=O)NCc1nn(C)cc1Br ZINC000424882732 405205354 /nfs/dbraw/zinc/20/53/54/405205354.db2.gz YVRNIHBZWPRSCI-UHFFFAOYSA-N 0 0 300.200 2.401 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C)nc1OCCC ZINC000424925711 405214013 /nfs/dbraw/zinc/21/40/13/405214013.db2.gz PWXXJHQRPPVTGN-ZFWWWQNUSA-N 0 0 304.390 2.500 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCSCc1ccccn1 ZINC000424930482 405214609 /nfs/dbraw/zinc/21/46/09/405214609.db2.gz FXBGQJFDRSLRFV-ZFWWWQNUSA-N 0 0 306.431 2.412 10 30 DEEERN C=CCC1(C(=O)NCCCc2c(C)nn(C)c2C)CCOCC1 ZINC000424751822 405168276 /nfs/dbraw/zinc/16/82/76/405168276.db2.gz JJVZXQCRUDHVKF-UHFFFAOYSA-N 0 0 319.449 2.459 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCOc1ccc(F)cc1 ZINC000425437209 405290189 /nfs/dbraw/zinc/29/01/89/405290189.db2.gz YAYBMAMISMBWOS-BBRMVZONSA-N 0 0 322.380 2.485 10 30 DEEERN C=CCC[C@H]1NC(=O)N([C@@H](CC)c2c(C)nn(C)c2C)C1=O ZINC000419942550 405273944 /nfs/dbraw/zinc/27/39/44/405273944.db2.gz GBWCIIHBGYZDRU-OLZOCXBDSA-N 0 0 304.394 2.375 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(OC)c1OC ZINC000425417671 405287661 /nfs/dbraw/zinc/28/76/61/405287661.db2.gz KJTMEOUUVLOEOG-JSGCOSHPSA-N 0 0 320.389 2.094 10 30 DEEERN C=CCc1cc(C(=O)N2CCC[C@@H](O)[C@H]2C)cc(OC)c1OC ZINC000452708032 405231033 /nfs/dbraw/zinc/23/10/33/405231033.db2.gz LDGYTFUQLOGPBA-IUODEOHRSA-N 0 0 319.401 2.418 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H]1CCCC ZINC000425881523 405326130 /nfs/dbraw/zinc/32/61/30/405326130.db2.gz KTZQJQKIUQAVLW-UGUYLWEFSA-N 0 0 322.449 2.169 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]1[C@H](C)CCC ZINC000425910885 405328900 /nfs/dbraw/zinc/32/89/00/405328900.db2.gz YWQMOCNIYKNMCS-UGUYLWEFSA-N 0 0 322.449 2.121 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N[C@@H]1COCC1(C)C ZINC000454483227 405352335 /nfs/dbraw/zinc/35/23/35/405352335.db2.gz JZDRRKGRFCUKKA-OAHLLOKOSA-N 0 0 304.390 2.476 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000425565136 405303729 /nfs/dbraw/zinc/30/37/29/405303729.db2.gz AXOWEFZJTIEULM-WFASDCNBSA-N 0 0 319.361 2.327 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2c(F)cccc2C1 ZINC000425567469 405304102 /nfs/dbraw/zinc/30/41/02/405304102.db2.gz SQLNVPBSOUSDAS-LRDDRELGSA-N 0 0 304.365 2.485 10 30 DEEERN CC(C)C[C@@](C)(C#N)NC(=O)C1CN(C(=O)C2CCCCC2)C1 ZINC000455248292 405390908 /nfs/dbraw/zinc/39/09/08/405390908.db2.gz HNTSCJIACSXRAQ-SFHVURJKSA-N 0 0 319.449 2.470 10 30 DEEERN C=CCOc1ccc(CC(=O)N(C)CC(=O)NC(C)(C)C)cc1 ZINC000448610271 405427024 /nfs/dbraw/zinc/42/70/24/405427024.db2.gz HAFILVVUCFQDKT-UHFFFAOYSA-N 0 0 318.417 2.167 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000455655095 405440766 /nfs/dbraw/zinc/44/07/66/405440766.db2.gz JLIFEBKGWOHDCJ-IUCAKERBSA-N 0 0 323.340 2.373 10 30 DEEERN COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(C#N)n1C ZINC000448741661 405442819 /nfs/dbraw/zinc/44/28/19/405442819.db2.gz SPEHTECDWVBPKK-UHFFFAOYSA-N 0 0 323.352 2.276 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)C[C@H]1CC=CCC1 ZINC000577771345 405512694 /nfs/dbraw/zinc/51/26/94/405512694.db2.gz ILMQNLNQZGRXGO-GJZGRUSLSA-N 0 0 318.421 2.345 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N(C)C1CCN(CC(F)(F)F)CC1 ZINC000456931108 405625188 /nfs/dbraw/zinc/62/51/88/405625188.db2.gz IMLRPUUIQCPNHN-LBPRGKRZSA-N 0 0 322.371 2.453 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000633411210 405628702 /nfs/dbraw/zinc/62/87/02/405628702.db2.gz KMRAYDGBXGJSFI-CYBMUJFWSA-N 0 0 316.467 2.055 10 30 DEEERN C=CCn1cc(CNC(=O)NCc2csc(C)c2C)nn1 ZINC000633319998 405570830 /nfs/dbraw/zinc/57/08/30/405570830.db2.gz YOQGRKMOZFITAA-UHFFFAOYSA-N 0 0 305.407 2.142 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCc1ncc2c(n1)CCOC2 ZINC000633333340 405574704 /nfs/dbraw/zinc/57/47/04/405574704.db2.gz HTCNBSWFCUMQIC-UHFFFAOYSA-N 0 0 318.421 2.341 10 30 DEEERN C=C(CC)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000456813083 405578380 /nfs/dbraw/zinc/57/83/80/405578380.db2.gz PICWTBPUTCMQTD-GOEBONIOSA-N 0 0 304.365 2.428 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC000580537564 405638522 /nfs/dbraw/zinc/63/85/22/405638522.db2.gz WDMSNGMIFDWCBH-IHRRRGAJSA-N 0 0 306.410 2.177 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1CCC ZINC000580641621 405658446 /nfs/dbraw/zinc/65/84/46/405658446.db2.gz CWABAQILAJGFFA-VGWMRTNUSA-N 0 0 322.449 2.169 10 30 DEEERN C=CC(C)(C)CNC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000458989237 405680156 /nfs/dbraw/zinc/68/01/56/405680156.db2.gz PBAJJJUCBRCUHI-OAHLLOKOSA-N 0 0 315.417 2.471 10 30 DEEERN C=C(C)CCNC(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000459010643 405690809 /nfs/dbraw/zinc/69/08/09/405690809.db2.gz XAKWOCIABZZEAN-HNNXBMFYSA-N 0 0 301.390 2.225 10 30 DEEERN C=CCN(C(=O)c1nn(C2CCOCC2)cc1C)[C@@H](C)COC ZINC000633613238 405745559 /nfs/dbraw/zinc/74/55/59/405745559.db2.gz VUXAZJQSLHGYCM-AWEZNQCLSA-N 0 0 321.421 2.206 10 30 DEEERN C=CCNC(=O)CNC(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000432353780 405752078 /nfs/dbraw/zinc/75/20/78/405752078.db2.gz PHTPXIZNYDBZDC-CYBMUJFWSA-N 0 0 321.808 2.141 10 30 DEEERN CCCCCNC(=O)Cc1noc(Cc2cccc(C#N)c2)n1 ZINC000559888258 405759800 /nfs/dbraw/zinc/75/98/00/405759800.db2.gz BXRJLFSJMHDLAR-UHFFFAOYSA-N 0 0 312.373 2.381 10 30 DEEERN C=CCC(CC=C)C(=O)N1CCc2nc(COC)ncc2C1 ZINC000633737651 405814529 /nfs/dbraw/zinc/81/45/29/405814529.db2.gz QSGXBXKEAGOWHN-UHFFFAOYSA-N 0 0 301.390 2.276 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)CCC(=O)Nc1nnc(C2CC2)o1 ZINC000584089883 405820433 /nfs/dbraw/zinc/82/04/33/405820433.db2.gz PZNOVYFABDTLGS-GFCCVEGCSA-N 0 0 318.377 2.233 10 30 DEEERN C=CCOCC(=O)N[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000633752813 405822137 /nfs/dbraw/zinc/82/21/37/405822137.db2.gz ZEEFKIXYNIOPIM-CYBMUJFWSA-N 0 0 301.745 2.221 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NCc1cc(=O)[nH]c(C2CCC2)n1 ZINC000636319747 405886577 /nfs/dbraw/zinc/88/65/77/405886577.db2.gz XVIWGQJDLKGVSZ-NSHDSACASA-N 0 0 305.378 2.047 10 30 DEEERN C=C(C)[C@H](CC(=O)NCc1nnc2ccc(Cl)cn21)OCC ZINC000636256343 405842145 /nfs/dbraw/zinc/84/21/45/405842145.db2.gz DHKGVGCAYGRGHG-LBPRGKRZSA-N 0 0 322.796 2.370 10 30 DEEERN C=CCn1cc(C(=O)N2CCC(Cc3nccs3)CC2)nn1 ZINC000633951557 405927636 /nfs/dbraw/zinc/92/76/36/405927636.db2.gz JVZNWOANYAZLAB-UHFFFAOYSA-N 0 0 317.418 2.016 10 30 DEEERN C=CCOc1ccc(C(=O)NCC[C@@H](O)C(F)F)cc1OC ZINC000633994633 405947178 /nfs/dbraw/zinc/94/71/78/405947178.db2.gz NWCLPCXMGHIALH-LLVKDONJSA-N 0 0 315.316 2.006 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccccc2-c2cnn(C)c2)C1=O ZINC000630979784 405950452 /nfs/dbraw/zinc/95/04/52/405950452.db2.gz SXXODHOSHOXJLM-MRXNPFEDSA-N 0 0 324.384 2.474 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCc2cc(OC)c(F)cc2C1 ZINC000450446871 405900740 /nfs/dbraw/zinc/90/07/40/405900740.db2.gz RAAZAMKHBLWNQA-HIFRSBDPSA-N 0 0 305.349 2.310 10 30 DEEERN CCOC(=O)C(C#N)=NNc1ccc(OC(F)(F)F)cc1 ZINC000606302613 405909765 /nfs/dbraw/zinc/90/97/65/405909765.db2.gz GKNIVOPYQZPLNM-ZDLGFXPLSA-N 0 0 301.224 2.440 10 30 DEEERN N#Cc1cnccc1NCc1ccncc1OCC(F)(F)F ZINC000561308482 405919643 /nfs/dbraw/zinc/91/96/43/405919643.db2.gz SOLTXLBEEYFBMB-UHFFFAOYSA-N 0 0 308.263 2.323 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCCOc1ccccc1 ZINC000636486552 405984507 /nfs/dbraw/zinc/98/45/07/405984507.db2.gz RAZNNEZJSWFKIC-UHFFFAOYSA-N 0 0 318.417 2.290 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc(COC)cc1 ZINC000636534234 406002465 /nfs/dbraw/zinc/00/24/65/406002465.db2.gz MYIHYBKNMSXEIP-UHFFFAOYSA-N 0 0 318.417 2.168 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000636817484 406090450 /nfs/dbraw/zinc/09/04/50/406090450.db2.gz UZZVRCIMMBWERN-ZIAGYGMSSA-N 0 0 324.465 2.415 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1cc(F)cc(OC)c1 ZINC000636722301 406062102 /nfs/dbraw/zinc/06/21/02/406062102.db2.gz ZGMIXEPXEYJTJN-UHFFFAOYSA-N 0 0 322.380 2.169 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1nc2cc(C)ccc2[nH]1 ZINC000564724456 406065633 /nfs/dbraw/zinc/06/56/33/406065633.db2.gz XHVHVFPFBONZED-WFASDCNBSA-N 0 0 314.389 2.262 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000460019187 406074322 /nfs/dbraw/zinc/07/43/22/406074322.db2.gz XZEHGOOEXKATGB-ZDUSSCGKSA-N 0 0 305.378 2.071 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1n1cccn1 ZINC000565643303 406075892 /nfs/dbraw/zinc/07/58/92/406075892.db2.gz MPIDMEBTUGMPNQ-FPCVCCKLSA-N 0 0 318.421 2.352 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCCc1nnc2n1CCC2 ZINC000636907816 406119330 /nfs/dbraw/zinc/11/93/30/406119330.db2.gz ICKDGILCDWAGQD-UHFFFAOYSA-N 0 0 305.426 2.058 10 30 DEEERN C=C(C)Cn1c(N2CCO[C@@H](CC)C2)nnc1[C@@]1(C)CCCO1 ZINC000567688917 406120104 /nfs/dbraw/zinc/12/01/04/406120104.db2.gz OTYYNZGAPQYONO-WMLDXEAASA-N 0 0 320.437 2.495 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@@H]1C[C@@H](C)O[C@H]1C ZINC000636965894 406135016 /nfs/dbraw/zinc/13/50/16/406135016.db2.gz RZZWEPKYJOGEFW-RDBSUJKOSA-N 0 0 310.438 2.025 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(CCC)CC(C)(C)O ZINC000632493241 406159596 /nfs/dbraw/zinc/15/95/96/406159596.db2.gz OLXITYURACJQCL-UHFFFAOYSA-N 0 0 312.454 2.105 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CC(COC)(C2CC2)C1 ZINC000637117419 406181672 /nfs/dbraw/zinc/18/16/72/406181672.db2.gz REVGPMSSKJHZOE-DZGCQCFKSA-N 0 0 308.422 2.036 10 30 DEEERN C=CCCS(=O)(=O)N[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000632611727 406199585 /nfs/dbraw/zinc/19/95/85/406199585.db2.gz QQEBDMWKPCSUME-CYBMUJFWSA-N 0 0 321.801 2.398 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCc1nc([C@@H]2CCCO2)n[nH]1 ZINC000637255887 406230123 /nfs/dbraw/zinc/23/01/23/406230123.db2.gz XHEDUGZBXOEDIB-NSHDSACASA-N 0 0 307.398 2.058 10 30 DEEERN C=CC(C)(C)CCNC(=O)N(CCN1CCOCC1)CC1CC1 ZINC000637324829 406258806 /nfs/dbraw/zinc/25/88/06/406258806.db2.gz LQSVOIXJLGZTJB-UHFFFAOYSA-N 0 0 323.481 2.343 10 30 DEEERN C=CC(C)(C)CCNC(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000637323014 406258854 /nfs/dbraw/zinc/25/88/54/406258854.db2.gz GIBMQSIWKIKCPH-GASCZTMLSA-N 0 0 311.470 2.339 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](O)[C@H](C)c1ccc(C)cc1 ZINC000519825458 406258940 /nfs/dbraw/zinc/25/89/40/406258940.db2.gz YQAFOWDOXCOGRM-BSWAZPDLSA-N 0 0 303.402 2.167 10 30 DEEERN CC1(C#N)CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000541870762 406300460 /nfs/dbraw/zinc/30/04/60/406300460.db2.gz PXICPQFDYWJARR-UHFFFAOYSA-N 0 0 302.334 2.430 10 30 DEEERN CC#CCNC(=O)N[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633141500 406394049 /nfs/dbraw/zinc/39/40/49/406394049.db2.gz KYTNROSFGJJDBA-GFCCVEGCSA-N 0 0 300.280 2.061 10 30 DEEERN C=CCCCCCNC(=O)NCCC(C)(C)S(C)(=O)=O ZINC000570525959 406406035 /nfs/dbraw/zinc/40/60/35/406406035.db2.gz WYTYYPVWHZROAN-UHFFFAOYSA-N 0 0 304.456 2.245 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cc(CC)nn1C ZINC000635259756 406478808 /nfs/dbraw/zinc/47/88/08/406478808.db2.gz BJENBYIZRUUXSJ-UHFFFAOYSA-N 0 0 306.410 2.030 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1c(C)c(C)nn1C ZINC000635261151 406479230 /nfs/dbraw/zinc/47/92/30/406479230.db2.gz VURYHDDSMBVUSF-UHFFFAOYSA-N 0 0 306.410 2.084 10 30 DEEERN C=CCCCS(=O)(=O)N(CCOC)Cc1scnc1C ZINC000489805860 406432322 /nfs/dbraw/zinc/43/23/22/406432322.db2.gz IAYLETAPUGNILE-UHFFFAOYSA-N 0 0 318.464 2.196 10 30 DEEERN C=CCCCS(=O)(=O)NC1(CC(=O)OCC)CCCC1 ZINC000489824375 406433472 /nfs/dbraw/zinc/43/34/72/406433472.db2.gz CXUFHNKRBRKADO-UHFFFAOYSA-N 0 0 303.424 2.138 10 30 DEEERN C[C@@H](C(=O)NCc1ccc(C2CCC2)cc1)n1cnc(C#N)n1 ZINC000524092243 406440082 /nfs/dbraw/zinc/44/00/82/406440082.db2.gz JTSZNJYPBNYHKX-LBPRGKRZSA-N 0 0 309.373 2.295 10 30 DEEERN C=CCOc1ccccc1C[N@H+]1CC[C@@](COC)(C(=O)[O-])C1 ZINC000635317341 406498196 /nfs/dbraw/zinc/49/81/96/406498196.db2.gz HJHCNWOXFBYDND-QGZVFWFLSA-N 0 0 305.374 2.175 10 30 DEEERN C#C[C@@H](NC(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1)C(C)C ZINC000491706302 406680437 /nfs/dbraw/zinc/68/04/37/406680437.db2.gz DQMZJRYFUYVDIN-ZIAGYGMSSA-N 0 0 308.422 2.408 10 30 DEEERN C=C[C@H](O)C(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000527627925 406696275 /nfs/dbraw/zinc/69/62/75/406696275.db2.gz IQPLDVFYULBQMB-NSHDSACASA-N 0 0 314.154 2.020 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(N2CCC2)nc1 ZINC000573296790 406772119 /nfs/dbraw/zinc/77/21/19/406772119.db2.gz UBRBMFUPUWUMET-CJNGLKHVSA-N 0 0 301.390 2.003 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000573219658 406771087 /nfs/dbraw/zinc/77/10/87/406771087.db2.gz JLZRSHHKOJNSAU-MRXNPFEDSA-N 0 0 322.449 2.124 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000574053103 406779981 /nfs/dbraw/zinc/77/99/81/406779981.db2.gz HJLINRYASGSANT-CQSZACIVSA-N 0 0 308.422 2.067 10 30 DEEERN Cc1csc(NC2CCN(C(=O)NCC3(C#N)CC3)CC2)n1 ZINC000573780795 406776880 /nfs/dbraw/zinc/77/68/80/406776880.db2.gz CSOUOTLDFXDUBE-UHFFFAOYSA-N 0 0 319.434 2.341 10 30 DEEERN CCOc1cc(I)c(C#N)cc1[N+](=O)[O-] ZINC000575671342 406817046 /nfs/dbraw/zinc/81/70/46/406817046.db2.gz RDUVQCPHQLJYLK-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN CCOc1cc([N+](=O)[O-])c(C#N)cc1I ZINC000575670973 406817477 /nfs/dbraw/zinc/81/74/77/406817477.db2.gz OLSVVKHHBCMZNW-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN CCOC(=O)Cc1cc(Br)c(C#N)cc1[N+](=O)[O-] ZINC000575383617 406807760 /nfs/dbraw/zinc/80/77/60/406807760.db2.gz SYMUKLWUAVBBOX-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(OC(F)F)c1C#N ZINC000575387740 406807831 /nfs/dbraw/zinc/80/78/31/406807831.db2.gz JOQZUZVVDRONRA-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN COC(=O)Cc1cc([N+](=O)[O-])c(C#N)cc1OC(F)(F)F ZINC000575395634 406809002 /nfs/dbraw/zinc/80/90/02/406809002.db2.gz LPTYPJKGIKKWMO-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN Cc1n[nH]c(C)c1NC(=O)c1ccc(C#CCO)c(Cl)c1 ZINC000128673019 195982896 /nfs/dbraw/zinc/98/28/96/195982896.db2.gz MFBYKLFIAYEBDM-UHFFFAOYSA-N 0 0 303.749 2.276 10 30 DEEERN Cn1ccc(NC(=O)c2ccc(C#CCCO)c(Cl)c2)n1 ZINC000128675259 195983001 /nfs/dbraw/zinc/98/30/01/195983001.db2.gz QRACLNUFVKPIPG-UHFFFAOYSA-N 0 0 303.749 2.060 10 30 DEEERN O=C(NCCc1ccco1)c1ccc(C#CCO)c(Cl)c1 ZINC000128746512 195987608 /nfs/dbraw/zinc/98/76/08/195987608.db2.gz BLSVQYXPACTUGT-UHFFFAOYSA-N 0 0 303.745 2.249 10 30 DEEERN CC(C)N(CCC#N)C(=O)c1ccc(C#CCO)c(Cl)c1 ZINC000128797719 195992660 /nfs/dbraw/zinc/99/26/60/195992660.db2.gz ZOUCSEVFZMUFGG-UHFFFAOYSA-N 0 0 304.777 2.448 10 30 DEEERN O=C(NCc1cscn1)c1ccc(C#CCO)c(Cl)c1 ZINC000128905318 196002190 /nfs/dbraw/zinc/00/21/90/196002190.db2.gz DKODFFYYKPLART-UHFFFAOYSA-N 0 0 306.774 2.070 10 30 DEEERN CCCn1c(Sc2cc(C#N)ccc2[C@H](C)O)n[nH]c1=O ZINC000131737506 196195539 /nfs/dbraw/zinc/19/55/39/196195539.db2.gz HTMQKECOYXQEES-VIFPVBQESA-N 0 0 304.375 2.058 10 30 DEEERN N#Cc1cc(Br)ccc1NC(=O)c1cc(N)c[nH]1 ZINC000132040942 196221280 /nfs/dbraw/zinc/22/12/80/196221280.db2.gz LUOCBQDWZUKMDX-UHFFFAOYSA-N 0 0 305.135 2.483 10 30 DEEERN C=CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000133269528 196326388 /nfs/dbraw/zinc/32/63/88/196326388.db2.gz LLMGDXZTBVLUGT-VIFPVBQESA-N 0 0 317.794 2.370 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)c1snnc1C(C)(C)C ZINC000134060650 196357370 /nfs/dbraw/zinc/35/73/70/196357370.db2.gz MXFMAZOUDVMIDZ-UHFFFAOYSA-N 0 0 311.407 2.027 10 30 DEEERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCC#N)CC(F)(F)F ZINC000177619101 224847436 /nfs/dbraw/zinc/84/74/36/224847436.db2.gz SBBWSMFXIGDOFO-UHFFFAOYSA-N 0 0 316.239 2.216 10 30 DEEERN Cn1c2ccc(CN(CCC#N)CCC#N)cc2sc1=O ZINC000192668608 225139493 /nfs/dbraw/zinc/13/94/93/225139493.db2.gz HXAONRFSZUTKTQ-UHFFFAOYSA-N 0 0 300.387 2.229 10 30 DEEERN Cc1c([C@H]2OCC[C@@H]2NC(=O)Nc2ccc(C)nc2)cnn1C ZINC000328635134 225776884 /nfs/dbraw/zinc/77/68/84/225776884.db2.gz UOBGTYAHWOPCLP-LSDHHAIUSA-N 0 0 315.377 2.097 10 30 DEEERN Cc1cc(NC(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)n(C)n1 ZINC000328839627 225805420 /nfs/dbraw/zinc/80/54/20/225805420.db2.gz UGZRNKIPTKALDB-DZGCQCFKSA-N 0 0 315.377 2.370 10 30 DEEERN O=C(Nc1cncnc1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000329785829 225928377 /nfs/dbraw/zinc/92/83/77/225928377.db2.gz XISMKPFINBZHBL-GFCCVEGCSA-N 0 0 306.391 2.156 10 30 DEEERN N#CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccccc1 ZINC000361533038 226867184 /nfs/dbraw/zinc/86/71/84/226867184.db2.gz JXIPPGWSIIAXMS-ZDUSSCGKSA-N 0 0 303.387 2.220 10 30 DEEERN N#C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCN1C1CC1 ZINC000371327374 227068469 /nfs/dbraw/zinc/06/84/69/227068469.db2.gz NGHDSGAGUASTEN-LLCTXKFZSA-N 0 0 312.373 2.280 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000407996494 227225984 /nfs/dbraw/zinc/22/59/84/227225984.db2.gz FMVARWNKXXWSBX-QPUJVOFHSA-N 0 0 302.758 2.450 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Br)o1 ZINC000408217511 227228796 /nfs/dbraw/zinc/22/87/96/227228796.db2.gz ZBJDGQXNMFLSJZ-JGVFFNPUSA-N 0 0 319.180 2.013 10 30 DEEERN Cc1cc(F)c(S(=O)(=O)N[C@H]2CCC[C@@H]2C#N)cc1F ZINC000408310246 227230358 /nfs/dbraw/zinc/23/03/58/227230358.db2.gz QZHSWIOSQLSQGE-SKDRFNHKSA-N 0 0 300.330 2.244 10 30 DEEERN Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C#N)c(F)cc1F ZINC000408421965 227234507 /nfs/dbraw/zinc/23/45/07/227234507.db2.gz DFXSUGAHLABFQE-BXKDBHETSA-N 0 0 300.330 2.244 10 30 DEEERN N#Cc1c(Cl)nsc1N1CCCN(c2cccnn2)CC1 ZINC000301388542 229663649 /nfs/dbraw/zinc/66/36/49/229663649.db2.gz XNNCNSIAAIOVGF-UHFFFAOYSA-N 0 0 320.809 2.175 10 30 DEEERN Cc1csc(NC2CCN(c3ccc(C#N)nn3)CC2)n1 ZINC000302233065 230190376 /nfs/dbraw/zinc/19/03/76/230190376.db2.gz CVLHUKJAUJBUCA-UHFFFAOYSA-N 0 0 300.391 2.194 10 30 DEEERN CC(=O)N1CC[C@@H](CNc2ncc(C#N)c3ccsc32)C1 ZINC000601165509 422420931 /nfs/dbraw/zinc/42/09/31/422420931.db2.gz CHXVULDWBRSJRY-NSHDSACASA-N 0 0 300.387 2.448 10 30 DEEERN C=CCNc1nnc(SCCOC2CCOCC2)s1 ZINC000629085933 422470766 /nfs/dbraw/zinc/47/07/66/422470766.db2.gz FUOCQTCHBDIFDL-UHFFFAOYSA-N 0 0 301.437 2.424 10 30 DEEERN N#Cc1cccc(CC(=O)NCCOc2ncccc2Cl)c1 ZINC000532371242 269996696 /nfs/dbraw/zinc/99/66/96/269996696.db2.gz NSVTZVDDAFJSMH-UHFFFAOYSA-N 0 0 315.760 2.344 10 30 DEEERN CCN(CCC(=O)OC)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188585397 266124027 /nfs/dbraw/zinc/12/40/27/266124027.db2.gz YNHASQZFKBDFDG-UHFFFAOYSA-N 0 0 300.358 2.001 10 30 DEEERN CCOC(=O)CC[C@@H]1CCCN(C(=O)c2ccnc(C#N)c2)C1 ZINC000193659672 424870589 /nfs/dbraw/zinc/87/05/89/424870589.db2.gz FDBXNAFLDBYRJA-ZDUSSCGKSA-N 0 0 315.373 2.149 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1nc(-c2cccnc2)nc2c1CCC2 ZINC000568385994 424918919 /nfs/dbraw/zinc/91/89/19/424918919.db2.gz FAGKPTCKWVFFQR-GUYCJALGSA-N 0 0 322.412 3.030 10 30 DEEERN Cc1cc(C#N)nc(NCc2ccc(OCC(F)(F)F)nc2)n1 ZINC000561121991 424890126 /nfs/dbraw/zinc/89/01/26/424890126.db2.gz RAELCCWPQTZEAA-UHFFFAOYSA-N 0 0 323.278 2.605 10 30 DEEERN C=CCNc1ncc(C(=O)N[C@H](c2cccnc2)C2CC2)s1 ZINC000340703504 424949342 /nfs/dbraw/zinc/94/93/42/424949342.db2.gz LVXLTTQNLNEBEX-AWEZNQCLSA-N 0 0 314.414 3.017 10 30 DEEERN CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CCCCC1(C)C ZINC000579313435 424962380 /nfs/dbraw/zinc/96/23/80/424962380.db2.gz QLOMVNAWEBZCDZ-CYBMUJFWSA-N 0 0 317.437 2.471 10 30 DEEERN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000531871344 266853909 /nfs/dbraw/zinc/85/39/09/266853909.db2.gz YFTFYGAUOOVEKL-GFCCVEGCSA-N 0 0 317.389 2.470 10 30 DEEERN CCOC(=O)[C@H](CC)N(C(=O)Cc1cccc(C#N)c1)C1CC1 ZINC000527307651 269665587 /nfs/dbraw/zinc/66/55/87/269665587.db2.gz GTASUDGOIDSDOC-INIZCTEOSA-N 0 0 314.385 2.433 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000048762969 275388315 /nfs/dbraw/zinc/38/83/15/275388315.db2.gz HMSLHOSUSPFOOP-MRXNPFEDSA-N 0 0 320.348 2.246 10 30 DEEERN CCC1(CC)CN(c2nc(C)ccc2C#N)CCS1(=O)=O ZINC000408108759 276217047 /nfs/dbraw/zinc/21/70/47/276217047.db2.gz UTTQGJIAJHVGEE-UHFFFAOYSA-N 0 0 307.419 2.055 10 30 DEEERN C=CCCCC(=O)N1CCNC(=O)[C@@H]1c1ccc(F)cc1C ZINC000183735696 276883499 /nfs/dbraw/zinc/88/34/99/276883499.db2.gz GSPOVDGLFFFAOO-INIZCTEOSA-N 0 0 304.365 2.490 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@H](c1c(F)cccc1Cl)N(C)C ZINC000337030128 276907165 /nfs/dbraw/zinc/90/71/65/276907165.db2.gz FMRSTJLZOXKYFF-HZMBPMFUSA-N 0 0 314.788 2.135 10 30 DEEERN CN1C(=O)N[C@@H]2CN(c3ccc(C(F)(F)F)c(C#N)c3)CC[C@@H]21 ZINC000284594400 277017689 /nfs/dbraw/zinc/01/76/89/277017689.db2.gz PDWOAKRLRYOAHF-OLZOCXBDSA-N 0 0 324.306 2.179 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)CCOCC1 ZINC000424737048 277824009 /nfs/dbraw/zinc/82/40/09/277824009.db2.gz NPISEHJQKUYGSJ-NEPJUHHUSA-N 0 0 321.339 2.274 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](C(N)=O)c2ccccc21 ZINC000370447931 277916919 /nfs/dbraw/zinc/91/69/19/277916919.db2.gz RSUWQOVQBBBBAH-RDTXWAMCSA-N 0 0 316.401 2.221 10 30 DEEERN C[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000165757340 278112690 /nfs/dbraw/zinc/11/26/90/278112690.db2.gz DACYIOSPYYSSTP-SNVBAGLBSA-N 0 0 319.411 2.323 10 30 DEEERN Cc1ccn2c(c1)nnc2NC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000088253526 278978732 /nfs/dbraw/zinc/97/87/32/278978732.db2.gz DSTKIHLKIMDDII-UHFFFAOYSA-N 0 0 323.356 2.241 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)CCO1 ZINC000171601386 279485161 /nfs/dbraw/zinc/48/51/61/279485161.db2.gz BFVBZKBVZHTKSM-TZMCWYRMSA-N 0 0 305.765 2.261 10 30 DEEERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccnc(C#N)c1 ZINC000193479376 280023840 /nfs/dbraw/zinc/02/38/40/280023840.db2.gz BNQSESHNCJIFPI-JTQLQIEISA-N 0 0 308.297 2.453 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1COc2ccccc21 ZINC000178458511 280202684 /nfs/dbraw/zinc/20/26/84/280202684.db2.gz VRVDHWXSFJWQOD-HNNXBMFYSA-N 0 0 321.336 2.055 10 30 DEEERN CC(C)c1ccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)cc1 ZINC000163292277 280610954 /nfs/dbraw/zinc/61/09/54/280610954.db2.gz CUSMITGVUCWMEZ-OAHLLOKOSA-N 0 0 308.403 2.113 10 30 DEEERN CNC(=O)CN(Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000047550685 281454628 /nfs/dbraw/zinc/45/46/28/281454628.db2.gz ZFJCUBZMLINJHA-UHFFFAOYSA-N 0 0 318.380 2.178 10 30 DEEERN N#Cc1ccc(OCCNC(=O)NC[C@H]2CCCS2)cc1 ZINC000121862945 281764075 /nfs/dbraw/zinc/76/40/75/281764075.db2.gz ZBGCLCOIBSEQOX-CQSZACIVSA-N 0 0 305.403 2.132 10 30 DEEERN Cc1nc(C)n([C@H]2CCCN(c3c(C#N)cccc3C#N)C2)n1 ZINC000369337408 293250254 /nfs/dbraw/zinc/25/02/54/293250254.db2.gz CDSGXKHQMUUPMZ-INIZCTEOSA-N 0 0 306.373 2.480 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000408334201 294820889 /nfs/dbraw/zinc/82/08/89/294820889.db2.gz MJSZCQXUPSHMEB-TVYUQYBPSA-N 0 0 301.321 2.060 10 30 DEEERN O=C(N[C@@H]1CCCn2ncnc21)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000329545370 295380746 /nfs/dbraw/zinc/38/07/46/295380746.db2.gz GPTCDVWAQFZLQU-OLZOCXBDSA-N 0 0 301.394 2.292 10 30 DEEERN C[C@H](Cn1cncn1)NC(=O)N1CC[C@H](C(F)(F)F)C1(C)C ZINC000331014701 298929786 /nfs/dbraw/zinc/92/97/86/298929786.db2.gz YWJOIGPOXIIMKW-ZJUUUORDSA-N 0 0 319.331 2.243 10 30 DEEERN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1c1ccc(F)cc1C#N ZINC000284493555 300852376 /nfs/dbraw/zinc/85/23/76/300852376.db2.gz GOLVHFTWGVXQCO-PVAVHDDUSA-N 0 0 304.365 2.454 10 30 DEEERN Cc1ccnc(N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)c1C#N ZINC000407980769 302270839 /nfs/dbraw/zinc/27/08/39/302270839.db2.gz NYEHHSLYCAECOX-ZMSDIMECSA-N 0 0 301.390 2.018 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)c2coc3ccc(F)cc23)C1=O ZINC000566260684 332294448 /nfs/dbraw/zinc/29/44/48/332294448.db2.gz NOEAGMMAARLXDE-CQSZACIVSA-N 0 0 316.332 2.431 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1C[C@H](OCC)C12CCC2 ZINC000575118619 332494446 /nfs/dbraw/zinc/49/44/46/332494446.db2.gz DRBSVTVCWNFUBS-XQLPTFJDSA-N 0 0 308.422 2.224 10 30 DEEERN COc1ccc(C(=O)C[C@H](C)C(=O)NCC2(C#N)CC2)cc1 ZINC000562436603 332593919 /nfs/dbraw/zinc/59/39/19/332593919.db2.gz NDNYQBCOBJAPEM-LBPRGKRZSA-N 0 0 300.358 2.324 10 30 DEEERN Cc1cc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c2cnn(C)c2n1 ZINC000177865473 332998569 /nfs/dbraw/zinc/99/85/69/332998569.db2.gz XCTHEMSFAXZNEZ-DIFFPNOSSA-N 0 0 311.389 2.479 10 30 DEEERN N#Cc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1[O-] ZINC000188464901 333046858 /nfs/dbraw/zinc/04/68/58/333046858.db2.gz QLSYGJCMDNEPFS-INIZCTEOSA-N 0 0 313.401 2.354 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OC(F)F)nc1 ZINC000563029370 333077185 /nfs/dbraw/zinc/07/71/85/333077185.db2.gz AOTTXBRUKWVXGT-ONGXEEELSA-N 0 0 313.304 2.396 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1ccc(C(=O)OCC)o1 ZINC000580845395 333088646 /nfs/dbraw/zinc/08/86/46/333088646.db2.gz ZYLUHXGGGITGHX-UHFFFAOYSA-N 0 0 315.391 2.481 10 30 DEEERN COc1ccc(-c2noc(C#Cc3ccc4c(c3)OCO4)n2)cn1 ZINC000193188765 333093966 /nfs/dbraw/zinc/09/39/66/333093966.db2.gz UYVBNKOMFAVFLQ-UHFFFAOYSA-N 0 0 321.292 2.269 10 30 DEEERN C(#Cc1ccccc1)CN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000365234060 333399606 /nfs/dbraw/zinc/39/96/06/333399606.db2.gz MBTCCWGYZAVRKN-UHFFFAOYSA-N 0 0 306.413 2.461 10 30 DEEERN C=CCCOCCNC(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000339918647 333671243 /nfs/dbraw/zinc/67/12/43/333671243.db2.gz KHDMGUMQWWMXNY-CQSZACIVSA-N 0 0 317.389 2.004 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)CC1CCC(C(=O)OCC)CC1 ZINC000571645039 333995718 /nfs/dbraw/zinc/99/57/18/333995718.db2.gz LDMMUNAHULSWEK-NRXISQOPSA-N 0 0 311.422 2.189 10 30 DEEERN C=CCOc1ccccc1C(=O)N(CC)Cc1cn(C)nn1 ZINC000359181666 336661696 /nfs/dbraw/zinc/66/16/96/336661696.db2.gz XTLCHDXHPUGZQZ-UHFFFAOYSA-N 0 0 300.362 2.042 10 30 DEEERN C=CCCCCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000582430671 336974553 /nfs/dbraw/zinc/97/45/53/336974553.db2.gz DUDDRGASQOAOGB-UHFFFAOYSA-N 0 0 313.379 2.401 10 30 DEEERN C=CCN(CC=C)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000217286815 337078045 /nfs/dbraw/zinc/07/80/45/337078045.db2.gz CEJDNBZANNEMGB-INIZCTEOSA-N 0 0 313.401 2.171 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1sc([C@@H]2CCCOC2)nc1C ZINC000582588220 337110347 /nfs/dbraw/zinc/11/03/47/337110347.db2.gz PYGUVKJJNVNQKI-UPJWGTAASA-N 0 0 322.430 2.419 10 30 DEEERN CCN(CC)c1cccc2c(/C=N/NC(N)=S)nccc21 ZINC000584605271 337371495 /nfs/dbraw/zinc/37/14/95/337371495.db2.gz KDEPTSLUUKODEE-VCHYOVAHSA-N 0 0 301.419 2.248 10 30 DEEERN C=CCN(CCOC)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000571853626 337579909 /nfs/dbraw/zinc/57/99/09/337579909.db2.gz ZWFXVHJVAZIIDK-UHFFFAOYSA-N 0 0 319.405 2.190 10 30 DEEERN C=CCN(C(=O)[C@H]1CCCCO1)c1nc(C(=O)OCC)cs1 ZINC000122155984 337910250 /nfs/dbraw/zinc/91/02/50/337910250.db2.gz CMQWLXUVQQEQBI-GFCCVEGCSA-N 0 0 324.402 2.408 10 30 DEEERN CC(C)(C)c1nnsc1C(=O)Nc1ccn(CCC#N)n1 ZINC000191423415 340554135 /nfs/dbraw/zinc/55/41/35/340554135.db2.gz HGTIQKIDMSJVPU-UHFFFAOYSA-N 0 0 304.379 2.198 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnn(-c2ccc(C)cc2)c1CC ZINC000524252793 340650935 /nfs/dbraw/zinc/65/09/35/340650935.db2.gz SCDIBMGVZCJCOZ-AWEZNQCLSA-N 0 0 313.401 2.410 10 30 DEEERN C=C[C@@H](O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000529823389 340770320 /nfs/dbraw/zinc/77/03/20/340770320.db2.gz XLTWMYIGEKGWDE-GFCCVEGCSA-N 0 0 308.175 2.374 10 30 DEEERN CC#CCCNC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000542669984 341016672 /nfs/dbraw/zinc/01/66/72/341016672.db2.gz DZCVELKWSWIBDI-ZDUSSCGKSA-N 0 0 316.426 2.291 10 30 DEEERN CC(=O)Nc1ccccc1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000542813730 341021675 /nfs/dbraw/zinc/02/16/75/341021675.db2.gz UYWQUYDOXAFWGA-UHFFFAOYSA-N 0 0 314.389 2.480 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCOc1ccc(F)cc1Cl ZINC000545991617 341149964 /nfs/dbraw/zinc/14/99/64/341149964.db2.gz NSDFNQSXXGBUOF-LLVKDONJSA-N 0 0 301.745 2.301 10 30 DEEERN C=CCCCN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 ZINC000076650422 341211772 /nfs/dbraw/zinc/21/17/72/341211772.db2.gz BIAUINMSFKQULV-AWEZNQCLSA-N 0 0 324.446 2.086 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000548838572 341277518 /nfs/dbraw/zinc/27/75/18/341277518.db2.gz BLSJPVRSFIGYGC-PBHICJAKSA-N 0 0 318.421 2.116 10 30 DEEERN Cc1c(S(=O)(=O)NCC2(C#N)CC2)c2ccccc2n1C ZINC000551550046 341345077 /nfs/dbraw/zinc/34/50/77/341345077.db2.gz ZVPRNHJAJNWDIS-UHFFFAOYSA-N 0 0 303.387 2.069 10 30 DEEERN C=C(C)CS(=O)(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000565383842 341525703 /nfs/dbraw/zinc/52/57/03/341525703.db2.gz FCJYSRFNDFIHGJ-UHFFFAOYSA-N 0 0 323.374 2.114 10 30 DEEERN C=CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000153167856 341527974 /nfs/dbraw/zinc/52/79/74/341527974.db2.gz FJJMGLWMYLPMSR-LBPRGKRZSA-N 0 0 303.424 2.089 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N(C)CCOc1ccc(C)cc1 ZINC000565699316 341535590 /nfs/dbraw/zinc/53/55/90/341535590.db2.gz BKRUVBXTPZTMSF-CVEARBPZSA-N 0 0 304.390 2.359 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@@H]1CCc2c1cccc2O ZINC000568412861 341670683 /nfs/dbraw/zinc/67/06/83/341670683.db2.gz LXHSHIVOGBUOJN-OAHLLOKOSA-N 0 0 316.401 2.358 10 30 DEEERN C=CCn1c(C)nnc1N1CCC(c2nnc3ccccn32)CC1 ZINC000575909722 341814034 /nfs/dbraw/zinc/81/40/34/341814034.db2.gz QPHQXUDAANQGDY-UHFFFAOYSA-N 0 0 323.404 2.199 10 30 DEEERN COc1ccc(O)cc1C(=O)NCCOc1ccc(C#N)cc1 ZINC000187402786 534211088 /nfs/dbraw/zinc/21/10/88/534211088.db2.gz NQAKMMBCVDFHHH-UHFFFAOYSA-N 0 0 312.325 2.081 10 30 DEEERN O=C(Nc1nc(C2CC2)cs1)N1CCc2cncnc2C1 ZINC000329425334 534332396 /nfs/dbraw/zinc/33/23/96/534332396.db2.gz IMAINVKZTNCFFY-UHFFFAOYSA-N 0 0 301.375 2.414 10 30 DEEERN C=C(CC)CNC(=O)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000454025033 534405239 /nfs/dbraw/zinc/40/52/39/534405239.db2.gz HMHFYLKDBYPOQT-UHFFFAOYSA-N 0 0 306.362 2.033 10 30 DEEERN C=CCn1c(N(CC)CCOCC)nnc1[C@]1(C)CCCO1 ZINC000453447040 534442174 /nfs/dbraw/zinc/44/21/74/534442174.db2.gz XAGFIKNFCZEQQB-INIZCTEOSA-N 0 0 308.426 2.353 10 30 DEEERN CCOCCOC(=NC(=O)c1ccccc1F)NCC1CC1 ZINC000004929224 519972143 /nfs/dbraw/zinc/97/21/43/519972143.db2.gz VIDNLZUPYXDIFG-UHFFFAOYSA-N 0 0 308.353 2.375 10 30 DEEERN C=CCC1(CNC(=O)CNC(=O)c2ccccn2)CCCC1 ZINC000456488782 534598661 /nfs/dbraw/zinc/59/86/61/534598661.db2.gz SBRYRFDXTTVUBL-UHFFFAOYSA-N 0 0 301.390 2.064 10 30 DEEERN N#CCCN(CCC#N)C(=O)c1cnc(-c2ccncc2)s1 ZINC000172869724 534645509 /nfs/dbraw/zinc/64/55/09/534645509.db2.gz QNESEBQKTSEFMV-UHFFFAOYSA-N 0 0 311.370 2.475 10 30 DEEERN C=CCCCCNC(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1n1cccn1 ZINC000454809612 534685181 /nfs/dbraw/zinc/68/51/81/534685181.db2.gz JUFMVNHQGYIKDB-RBSFLKMASA-N 0 0 306.410 2.257 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(CCOc3ccccc3C#N)[C@@H]2C1 ZINC000158421886 523725825 /nfs/dbraw/zinc/72/58/25/523725825.db2.gz ZAEYZXXFEQHGMI-JFIYKMOQSA-N 0 0 316.401 2.205 10 30 DEEERN Cc1ncc(CN2CCN(C3CC3)[C@H](C#N)C2)n1-c1ccccc1 ZINC000371327949 534737290 /nfs/dbraw/zinc/73/72/90/534737290.db2.gz QMOQURSODHKKGE-GOSISDBHSA-N 0 0 321.428 2.353 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC000487745162 534784206 /nfs/dbraw/zinc/78/42/06/534784206.db2.gz XASNQMMTPOWZRK-MWLCHTKSSA-N 0 0 305.300 2.121 10 30 DEEERN Cc1csc(C2(NC(=O)c3c(C)nn(C)c3N)CCC2)n1 ZINC000328850229 534792739 /nfs/dbraw/zinc/79/27/39/534792739.db2.gz ZCRRRROKWHMEEY-UHFFFAOYSA-N 0 0 305.407 2.460 10 30 DEEERN C=CCOc1ccc(CC(=O)NCC[C@@H](O)C(F)(F)F)cc1 ZINC000449942403 534881428 /nfs/dbraw/zinc/88/14/28/534881428.db2.gz ZKXBSKXDKWFDLY-CYBMUJFWSA-N 0 0 317.307 2.223 10 30 DEEERN CC#CCCCC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000188078836 526292725 /nfs/dbraw/zinc/29/27/25/526292725.db2.gz KHFKJJYFWFGKEN-UHFFFAOYSA-N 0 0 300.406 2.129 10 30 DEEERN C=CCN(CCOC)S(=O)(=O)c1ccc2ncsc2c1 ZINC000360053064 526302425 /nfs/dbraw/zinc/30/24/25/526302425.db2.gz JPXKENZFGXQPSZ-UHFFFAOYSA-N 0 0 312.416 2.119 10 30 DEEERN CC#CCCNC(=O)N1CCC[C@@H]1COc1cccnc1C ZINC000419482152 526319240 /nfs/dbraw/zinc/31/92/40/526319240.db2.gz PWCRZIFHYPAKPW-OAHLLOKOSA-N 0 0 301.390 2.356 10 30 DEEERN CC#CCCNC(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000443574090 526323969 /nfs/dbraw/zinc/32/39/69/526323969.db2.gz IXSAVJLTEOOFSE-UHFFFAOYSA-N 0 0 319.836 2.411 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(CC=C)C1=O ZINC000337131505 526351674 /nfs/dbraw/zinc/35/16/74/526351674.db2.gz JUHPSXQBQRFUED-INIZCTEOSA-N 0 0 315.373 2.370 10 30 DEEERN C=C(Br)CN1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190764675 526427152 /nfs/dbraw/zinc/42/71/52/526427152.db2.gz XQJCSURGBWMEGU-LBPRGKRZSA-N 0 0 300.200 2.185 10 30 DEEERN C=CCN1CC[C@@H](N(C)[C@H](C)c2nc(C(C)(C)C)no2)C1=O ZINC000337232806 526473042 /nfs/dbraw/zinc/47/30/42/526473042.db2.gz VVFDBJTVFOIOMD-VXGBXAGGSA-N 0 0 306.410 2.147 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)Nc1cc2cccnc2c(OC)c1 ZINC000340179185 526481905 /nfs/dbraw/zinc/48/19/05/526481905.db2.gz UVSNKBMYYKSTGR-UHFFFAOYSA-N 0 0 313.357 2.216 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CCO[C@H](c2nc(C)cs2)C1 ZINC000195390225 526522456 /nfs/dbraw/zinc/52/24/56/526522456.db2.gz DXZOCOWQOIQWSB-AWEZNQCLSA-N 0 0 323.462 2.249 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000337692770 526535760 /nfs/dbraw/zinc/53/57/60/526535760.db2.gz WACUAMGJFQPVEY-HZPDHXFCSA-N 0 0 323.481 2.036 10 30 DEEERN C=CCNC(=O)[C@H](C)N1CC2(CCOCC2)c2ccccc21 ZINC000192284111 526630311 /nfs/dbraw/zinc/63/03/11/526630311.db2.gz QFLZKBIDMUQLOO-AWEZNQCLSA-N 0 0 300.402 2.246 10 30 DEEERN CC(=O)N1CC[C@H](C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)C1 ZINC000187291399 526658158 /nfs/dbraw/zinc/65/81/58/526658158.db2.gz MLDVASBESLPSRZ-SYJJWHGVSA-N 0 0 319.449 2.470 10 30 DEEERN C=CCNC(=O)c1cccc(-c2noc(Cc3cncnc3)n2)c1 ZINC000350409215 526658489 /nfs/dbraw/zinc/65/84/89/526658489.db2.gz SKNIUFFOTQUDQP-UHFFFAOYSA-N 0 0 321.340 2.033 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](CC)c1nnc2n1CCCCC2 ZINC000287747222 526674595 /nfs/dbraw/zinc/67/45/95/526674595.db2.gz LGPRJLFKXUGXJP-HNNXBMFYSA-N 0 0 312.417 2.235 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1n[nH]c(-c2c(F)cccc2F)n1 ZINC000376681524 526676640 /nfs/dbraw/zinc/67/66/40/526676640.db2.gz QMKROZBYANXSDT-UHFFFAOYSA-N 0 0 314.295 2.351 10 30 DEEERN C#CCCCC(=O)NC[C@@H](Cc1ccccc1)C(=O)OCC ZINC000191983084 526682302 /nfs/dbraw/zinc/68/23/02/526682302.db2.gz ITSXUHJQAPFXAL-MRXNPFEDSA-N 0 0 301.386 2.328 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCC(COC)(C(=O)OCC)CC1 ZINC000366591886 526693844 /nfs/dbraw/zinc/69/38/44/526693844.db2.gz WIVHSWNRDDUGSX-CQSZACIVSA-N 0 0 311.422 2.407 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000372802895 526695559 /nfs/dbraw/zinc/69/55/59/526695559.db2.gz IWSRDLSPVHABKO-CQSZACIVSA-N 0 0 303.406 2.292 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000372005187 526713009 /nfs/dbraw/zinc/71/30/09/526713009.db2.gz XGSMTVZFSPWRIA-UONOGXRCSA-N 0 0 315.417 2.083 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC000338826617 526722528 /nfs/dbraw/zinc/72/25/28/526722528.db2.gz BZCMPIFIEGZDBZ-AWEZNQCLSA-N 0 0 305.426 2.083 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)Cc1ccoc1 ZINC000338844930 526736827 /nfs/dbraw/zinc/73/68/27/526736827.db2.gz BDFODZDNYKXWDS-AWEZNQCLSA-N 0 0 318.377 2.172 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCCOc1ccc(C#N)cc1)OCC ZINC000339365661 526747203 /nfs/dbraw/zinc/74/72/03/526747203.db2.gz ZMWYFPRIFIKFOF-MRXNPFEDSA-N 0 0 302.374 2.425 10 30 DEEERN N#Cc1ccsc1C(=O)N1CC(=O)Nc2c(F)cccc21 ZINC000368612414 526765014 /nfs/dbraw/zinc/76/50/14/526765014.db2.gz KMMQAUCMGGWAEA-UHFFFAOYSA-N 0 0 301.302 2.358 10 30 DEEERN C=CCOCCNC(=O)N1CC[C@H](c2ccccc2OC)C1 ZINC000375828062 526776712 /nfs/dbraw/zinc/77/67/12/526776712.db2.gz ATLIYIVUDXTWCU-AWEZNQCLSA-N 0 0 304.390 2.397 10 30 DEEERN C=CCOCCNC(=O)c1sc([C@@H]2CCCOC2)nc1C ZINC000368322253 526782261 /nfs/dbraw/zinc/78/22/61/526782261.db2.gz STCDKBBMJWDJES-GFCCVEGCSA-N 0 0 310.419 2.278 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@]2(C1)CCCOC2 ZINC000341535381 526796252 /nfs/dbraw/zinc/79/62/52/526796252.db2.gz SMMHPUJVURUPTQ-ZOBUZTSGSA-N 0 0 308.422 2.180 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000437470011 526799836 /nfs/dbraw/zinc/79/98/36/526799836.db2.gz FRRVCJLHOSQIAI-QRTARXTBSA-N 0 0 319.401 2.044 10 30 DEEERN C=CCOC[C@H](NCc1ccc2nc(C)sc2c1)C(=O)OC ZINC000361114961 526809934 /nfs/dbraw/zinc/80/99/34/526809934.db2.gz VGBFFXXRBWIHIZ-AWEZNQCLSA-N 0 0 320.414 2.439 10 30 DEEERN C=C(CNC(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)c1ccccc1 ZINC000287952742 526873887 /nfs/dbraw/zinc/87/38/87/526873887.db2.gz HASDKONPGQFMJM-CVEARBPZSA-N 0 0 320.433 2.157 10 30 DEEERN C=C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CC1 ZINC000369109145 526897108 /nfs/dbraw/zinc/89/71/08/526897108.db2.gz RAHLOAVIQCAMPU-HNNXBMFYSA-N 0 0 314.385 2.175 10 30 DEEERN Cc1nc(C[C@@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2)no1 ZINC000171234538 526917897 /nfs/dbraw/zinc/91/78/97/526917897.db2.gz NEXQDJIGEAIOMS-INIZCTEOSA-N 0 0 324.384 2.274 10 30 DEEERN C=CC[C@@H](C(=O)NC[C@H]1CN(C2CC2)CCO1)c1ccccc1 ZINC000189610140 527015613 /nfs/dbraw/zinc/01/56/13/527015613.db2.gz GMCZLJAXGWZFCZ-ZWKOTPCHSA-N 0 0 314.429 2.326 10 30 DEEERN C=CCC1(C(=O)N2CCC(NC(=O)c3ccc[nH]3)CC2)CCC1 ZINC000372790447 527039745 /nfs/dbraw/zinc/03/97/45/527039745.db2.gz KXAQBXOVMCFZIN-UHFFFAOYSA-N 0 0 315.417 2.482 10 30 DEEERN C=CCC1(C(=O)N2CCC(C3N=NC(=O)N3CC)CC2)CCC1 ZINC000375971331 527039964 /nfs/dbraw/zinc/03/99/64/527039964.db2.gz ABXPHEYQXGNEFN-UHFFFAOYSA-N 0 0 318.421 2.456 10 30 DEEERN C=CCC1(C(=O)N2CCC(CC(=O)OC)CC2)CCOCC1 ZINC000424718412 527040843 /nfs/dbraw/zinc/04/08/43/527040843.db2.gz ITQLZYJLTQQYEX-UHFFFAOYSA-N 0 0 309.406 2.161 10 30 DEEERN C=CCC1(C(=O)N2CCS[C@@H]3COCC[C@@H]32)CCOCC1 ZINC000424732447 527046684 /nfs/dbraw/zinc/04/66/84/527046684.db2.gz FQNGSOMQKBOHFN-UONOGXRCSA-N 0 0 311.447 2.092 10 30 DEEERN C=CCC1(C(=O)NCc2ccc3c(c2)OCO3)CCOCC1 ZINC000424525085 527056532 /nfs/dbraw/zinc/05/65/32/527056532.db2.gz LZGVINWCDUEQPI-UHFFFAOYSA-N 0 0 303.358 2.404 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)C(=O)Nc1csc2ccccc12 ZINC000353145698 527057428 /nfs/dbraw/zinc/05/74/28/527057428.db2.gz AAPGJQLFJAGVPI-LLVKDONJSA-N 0 0 318.398 2.141 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000341687729 527066815 /nfs/dbraw/zinc/06/68/15/527066815.db2.gz IBDZYSCKKVKGKM-VXGBXAGGSA-N 0 0 310.369 2.379 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@H]1COc2c1ccc(C)c2C ZINC000341816047 527067803 /nfs/dbraw/zinc/06/78/03/527067803.db2.gz ADRRYIMVGUPVDE-HIFRSBDPSA-N 0 0 304.390 2.221 10 30 DEEERN C#CCO[C@H](C)C(=O)N[C@@H](CC(=O)OCC)c1ccccc1C ZINC000295303455 527082527 /nfs/dbraw/zinc/08/25/27/527082527.db2.gz NRSOGCKNBQIYTP-ZBFHGGJFSA-N 0 0 317.385 2.144 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000410986133 527118158 /nfs/dbraw/zinc/11/81/58/527118158.db2.gz VXSQHXXRFHFMPQ-SOUVJXGZSA-N 0 0 310.438 2.216 10 30 DEEERN C#CCOc1ccccc1NC(=O)N[C@@H](CC)[C@H](O)C(F)F ZINC000296555469 527134309 /nfs/dbraw/zinc/13/43/09/527134309.db2.gz CBRMIMYOEOPRME-GWCFXTLKSA-N 0 0 312.316 2.225 10 30 DEEERN C=CCCCCNC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000368820184 527159885 /nfs/dbraw/zinc/15/98/85/527159885.db2.gz BZKBDBWZTGLUPT-OAHLLOKOSA-N 0 0 316.405 2.233 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(CC)CC(C)(C)O ZINC000288013967 527160849 /nfs/dbraw/zinc/16/08/49/527160849.db2.gz CAUSRSRTAIDZQU-INIZCTEOSA-N 0 0 302.418 2.423 10 30 DEEERN C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(CC)c(CC)c1 ZINC000341437411 527165654 /nfs/dbraw/zinc/16/56/54/527165654.db2.gz XBRFKFWNHBJRPO-ZDUSSCGKSA-N 0 0 318.417 2.051 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)C1(COC)CCOCC1 ZINC000292363968 527171034 /nfs/dbraw/zinc/17/10/34/527171034.db2.gz PZUCJKPULZGLJB-QGZVFWFLSA-N 0 0 315.413 2.180 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(CCOC2)C1 ZINC000367846816 527172517 /nfs/dbraw/zinc/17/25/17/527172517.db2.gz GAWDVFAUMIMYAZ-IEBWSBKVSA-N 0 0 312.413 2.443 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@]2(CCOC2)C1 ZINC000367846817 527173092 /nfs/dbraw/zinc/17/30/92/527173092.db2.gz GAWDVFAUMIMYAZ-MJGOQNOKSA-N 0 0 312.413 2.443 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCOC[C@H]1c1ccccc1 ZINC000410782168 527173573 /nfs/dbraw/zinc/17/35/73/527173573.db2.gz GWDNWDBFVSLBIJ-INIZCTEOSA-N 0 0 316.401 2.011 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000378084771 527173919 /nfs/dbraw/zinc/17/39/19/527173919.db2.gz DDODKGDIORQWMY-HZPDHXFCSA-N 0 0 322.412 2.201 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000410598405 527176096 /nfs/dbraw/zinc/17/60/96/527176096.db2.gz OKBXYTZIWAPLSC-HOCLYGCPSA-N 0 0 315.417 2.416 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccc(OCC)cc1 ZINC000284214762 527177409 /nfs/dbraw/zinc/17/74/09/527177409.db2.gz NFLYKMUXEBHTMR-UHFFFAOYSA-N 0 0 304.390 2.126 10 30 DEEERN C=CCCCN(C)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000363550094 527182201 /nfs/dbraw/zinc/18/22/01/527182201.db2.gz WEQGDLFONDPEIC-UHFFFAOYSA-N 0 0 321.421 2.008 10 30 DEEERN C=CC[C@H](CO)NC(=O)C1(c2ccc(C)c(OC)c2)CCC1 ZINC000337076228 527193226 /nfs/dbraw/zinc/19/32/26/527193226.db2.gz QTRRJIRNRPPBBR-OAHLLOKOSA-N 0 0 303.402 2.479 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000185820067 527204945 /nfs/dbraw/zinc/20/49/45/527204945.db2.gz SCXBOANZCRMBQJ-GDBMZVCRSA-N 0 0 302.374 2.015 10 30 DEEERN CC(C)(C[C@@H]1CCCN(C(=O)C2(C#N)CCCC2)C1)C(N)=O ZINC000408468881 527225834 /nfs/dbraw/zinc/22/58/34/527225834.db2.gz RFMIPIGVXISPBF-ZDUSSCGKSA-N 0 0 305.422 2.211 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN(CC)Cc2cn(C)nn2)c1C ZINC000359644144 527293346 /nfs/dbraw/zinc/29/33/46/527293346.db2.gz DPGFTZOAYPOEGX-UHFFFAOYSA-N 0 0 315.421 2.124 10 30 DEEERN C=CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000351113873 527310682 /nfs/dbraw/zinc/31/06/82/527310682.db2.gz IUQINKHBUMBFGM-STQMWFEESA-N 0 0 319.453 2.143 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N1CCC(OC)CC1 ZINC000337812527 527319767 /nfs/dbraw/zinc/31/97/67/527319767.db2.gz MBODGCOQQOICIA-UHFFFAOYSA-N 0 0 316.405 2.458 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N(C)C[C@H]1CCOC1 ZINC000337821721 527319929 /nfs/dbraw/zinc/31/99/29/527319929.db2.gz SEHZCDFRMYJDRW-CQSZACIVSA-N 0 0 316.405 2.315 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N(C)CCCOC ZINC000337920149 527320315 /nfs/dbraw/zinc/32/03/15/527320315.db2.gz YGTSLFSTXNHVOK-UHFFFAOYSA-N 0 0 304.394 2.315 10 30 DEEERN C=CCCOCCNC(=O)N(C)CCc1ccccc1OC ZINC000339829797 527346840 /nfs/dbraw/zinc/34/68/40/527346840.db2.gz LGHLXKKNGFGQSX-UHFFFAOYSA-N 0 0 306.406 2.472 10 30 DEEERN C#C[C@H](NC(=O)NC[C@@H](O)c1ccccc1OC)C(C)(C)C ZINC000289095158 527393935 /nfs/dbraw/zinc/39/39/35/527393935.db2.gz GYPMZIVIMJIRGV-HIFRSBDPSA-N 0 0 304.390 2.076 10 30 DEEERN C#Cc1cc(F)c(NC(=O)C(=O)NCC2(C)CCC2)c(F)c1 ZINC000283390434 527432359 /nfs/dbraw/zinc/43/23/59/527432359.db2.gz VSDSXCSYXCAICJ-UHFFFAOYSA-N 0 0 306.312 2.191 10 30 DEEERN C#Cc1cccc(NC(=O)N2CCO[C@H](c3cnn(CC)c3)C2)c1 ZINC000192002660 527455837 /nfs/dbraw/zinc/45/58/37/527455837.db2.gz LVCXRABACWOGRQ-KRWDZBQOSA-N 0 0 324.384 2.490 10 30 DEEERN C#Cc1ccccc1CC(=O)N1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000378022620 527462246 /nfs/dbraw/zinc/46/22/46/527462246.db2.gz AKEPTWHAZPCENC-RCCFBDPRSA-N 0 0 313.397 2.005 10 30 DEEERN C=CCCc1ccccc1NC(=O)N1CCO[C@H]([C@H](C)O)C1 ZINC000417101550 527506500 /nfs/dbraw/zinc/50/65/00/527506500.db2.gz YIAOKXFGXTYARY-BBRMVZONSA-N 0 0 304.390 2.419 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N1CCC(COC)(C(=O)OCC)CC1 ZINC000358299256 527518546 /nfs/dbraw/zinc/51/85/46/527518546.db2.gz WDGULBPEUQYXAE-INIZCTEOSA-N 0 0 311.422 2.407 10 30 DEEERN C=CCCn1cc(C(=O)NCc2ccc(OCC)c(F)c2)nn1 ZINC000424651757 527523895 /nfs/dbraw/zinc/52/38/95/527523895.db2.gz PRAYPURCYALNHX-UHFFFAOYSA-N 0 0 318.352 2.322 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CCCN(c2ccccn2)CC1 ZINC000189979915 527527529 /nfs/dbraw/zinc/52/75/29/527527529.db2.gz BNRZARIGQKQAAN-SFHVURJKSA-N 0 0 317.433 2.349 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000339737977 527602814 /nfs/dbraw/zinc/60/28/14/527602814.db2.gz YWLDTDCXARYUEP-GFCCVEGCSA-N 0 0 320.364 2.212 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCC(C(=O)N(CC)CC)CC1 ZINC000352038047 527615224 /nfs/dbraw/zinc/61/52/24/527615224.db2.gz CUUHWALURRXMGN-GOSISDBHSA-N 0 0 324.465 2.322 10 30 DEEERN CC1(C)[C@H](NC(=O)NCC2CCC(C#N)CC2)[C@H]2CCO[C@@H]21 ZINC000374135569 527857968 /nfs/dbraw/zinc/85/79/68/527857968.db2.gz GOJFPIYFRXPRAE-ODGNXRKOSA-N 0 0 305.422 2.429 10 30 DEEERN CCN1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1=O ZINC000191839095 527913808 /nfs/dbraw/zinc/91/38/08/527913808.db2.gz QDEGQBGMVRFYNE-UHFFFAOYSA-N 0 0 323.400 2.085 10 30 DEEERN CCOc1cccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 ZINC000369217769 528668479 /nfs/dbraw/zinc/66/84/79/528668479.db2.gz BUEZOOKCGCNGOV-OAHLLOKOSA-N 0 0 314.389 2.289 10 30 DEEERN CCC[C@@H](CCCS(C)(=O)=O)C(=O)Nc1cc(C#N)ccn1 ZINC000448398667 528929358 /nfs/dbraw/zinc/92/93/58/528929358.db2.gz VFRFFYMSBPSUEF-ZDUSSCGKSA-N 0 0 323.418 2.133 10 30 DEEERN CC1(C)CCCN(C(=O)c2cccc(-n3cncn3)c2)[C@@H]1C#N ZINC000408394666 528931092 /nfs/dbraw/zinc/93/10/92/528931092.db2.gz KHLTWXWWIGFFSJ-OAHLLOKOSA-N 0 0 309.373 2.422 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000358052218 529298926 /nfs/dbraw/zinc/29/89/26/529298926.db2.gz FEFRURXDUIMBJE-CJNGLKHVSA-N 0 0 323.400 2.407 10 30 DEEERN CCCNC(=O)c1cccc(CNC(=O)c2ccnc(C#N)c2)c1 ZINC000192741906 535142467 /nfs/dbraw/zinc/14/24/67/535142467.db2.gz NIULMGSIPPDODV-UHFFFAOYSA-N 0 0 322.368 2.023 10 30 DEEERN CCOC[C@@H]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000081427823 535686341 /nfs/dbraw/zinc/68/63/41/535686341.db2.gz AQSQIXXGJGWANC-UONOGXRCSA-N 0 0 302.374 2.211 10 30 DEEERN CNC(=O)c1ccc(Cl)c(NC(=O)c2ccnc(C#N)c2)c1 ZINC000193481807 536429149 /nfs/dbraw/zinc/42/91/49/536429149.db2.gz QRVNCIAENANDQY-UHFFFAOYSA-N 0 0 314.732 2.219 10 30 DEEERN COc1cc(C(=O)Nc2cc(C#N)ccn2)cc(OC)c1OC ZINC000357388874 536527854 /nfs/dbraw/zinc/52/78/54/536527854.db2.gz YJDSOFQZXPRRGQ-UHFFFAOYSA-N 0 0 313.313 2.231 10 30 DEEERN CCCCn1cc(C(=O)OCC2(C#N)CCOCC2)c(C)n1 ZINC000187548986 625428009 /nfs/dbraw/zinc/42/80/09/625428009.db2.gz WINLQEDGUBERDA-UHFFFAOYSA-N 0 0 305.378 2.469 10 30 DEEERN C#CCCS(=O)(=O)N1CCC[C@@H]1Cc1ccccc1OC ZINC000288257268 625491446 /nfs/dbraw/zinc/49/14/46/625491446.db2.gz HGEMHRLPRWIGNZ-OAHLLOKOSA-N 0 0 307.415 2.055 10 30 DEEERN C#CCCCCNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000291537588 625507965 /nfs/dbraw/zinc/50/79/65/625507965.db2.gz RSZWMGIDBYNSBV-UHFFFAOYSA-N 0 0 319.308 2.020 10 30 DEEERN CCOc1cc2c(cc1/C=C\C(=O)N[C@H](C)C#N)O[C@@H](C)C2 ZINC000255132484 623562872 /nfs/dbraw/zinc/56/28/72/623562872.db2.gz QUDJLPRGZDSTRQ-DUVUQDDDSA-N 0 0 300.358 2.450 10 30 DEEERN O=C(OCC#Cc1ccccc1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000121175106 623749733 /nfs/dbraw/zinc/74/97/33/623749733.db2.gz XJVKKXSRVWZQSX-INIZCTEOSA-N 0 0 311.381 2.372 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)c1ccc(COC)o1 ZINC000161356349 624930025 /nfs/dbraw/zinc/93/00/25/624930025.db2.gz PNOPOLCQVIFQNJ-UHFFFAOYSA-N 0 0 312.325 2.041 10 30 DEEERN C#CC[C@@H](OC(=O)Cc1csc(N2CCCC2=O)n1)C(C)C ZINC000177716606 625066820 /nfs/dbraw/zinc/06/68/20/625066820.db2.gz OSEVKCVBIMCBHC-CYBMUJFWSA-N 0 0 320.414 2.404 10 30 DEEERN C#CC[C@@H](OC(=O)c1ccc(CS(C)(=O)=O)cc1)C(C)C ZINC000177716133 625067134 /nfs/dbraw/zinc/06/71/34/625067134.db2.gz MXTHZDSIYHJJEH-OAHLLOKOSA-N 0 0 308.399 2.436 10 30 DEEERN C#CC[C@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(C)C ZINC000177723414 625072694 /nfs/dbraw/zinc/07/26/94/625072694.db2.gz WAIHEDNDJMTVCJ-HIFRSBDPSA-N 0 0 303.358 2.219 10 30 DEEERN N#C[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000161706795 625156022 /nfs/dbraw/zinc/15/60/22/625156022.db2.gz ZOGTUYQIBUMPTL-JTQLQIEISA-N 0 0 324.134 2.389 10 30 DEEERN C#CC[C@H](OC(=O)[C@H](C)NC(=O)c1ccco1)c1ccccn1 ZINC000073294476 632998412 /nfs/dbraw/zinc/99/84/12/632998412.db2.gz XYOYZDUQMUBTMD-JSGCOSHPSA-N 0 0 312.325 2.101 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCc2ccccc2OC1 ZINC000425523414 635925730 /nfs/dbraw/zinc/92/57/30/635925730.db2.gz ANTHVEDFRRODMR-JYJNAYRXSA-N 0 0 316.401 2.271 10 30 DEEERN C#Cc1ccc(C(=O)Nc2ccccc2CC(=O)OCC)cn1 ZINC000733769880 633282951 /nfs/dbraw/zinc/28/29/51/633282951.db2.gz OMPSMFSXOFIRBO-UHFFFAOYSA-N 0 0 308.337 2.421 10 30 DEEERN C#Cc1ccc(C(=O)N(C[C@@H]2CCCO2)c2ccncc2)nc1 ZINC000733970402 633306628 /nfs/dbraw/zinc/30/66/28/633306628.db2.gz TWBSRXMADCCYNT-INIZCTEOSA-N 0 0 307.353 2.284 10 30 DEEERN CCOCCCNC(=O)[C@H](C#N)C(=O)CCc1ccc(C)cc1 ZINC000124320260 633328249 /nfs/dbraw/zinc/32/82/49/633328249.db2.gz QDLKKAQJSGJKLZ-MRXNPFEDSA-N 0 0 316.401 2.179 10 30 DEEERN N#CCOc1ccc(Cl)cc1CN1C(=O)[C@H]2CCCN2C1=O ZINC000735302822 633495590 /nfs/dbraw/zinc/49/55/90/633495590.db2.gz HUAZZDKHANINBK-GFCCVEGCSA-N 0 0 319.748 2.169 10 30 DEEERN C#CCOc1ccc([C@H](C)OC(=O)COC2CCOCC2)cc1 ZINC000735396909 633507125 /nfs/dbraw/zinc/50/71/25/633507125.db2.gz FKKWXBQFWSEASK-AWEZNQCLSA-N 0 0 318.369 2.498 10 30 DEEERN C=C(Cl)CNC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000736246343 633583183 /nfs/dbraw/zinc/58/31/83/633583183.db2.gz YFZCZKBAIBALCW-CQSZACIVSA-N 0 0 310.781 2.131 10 30 DEEERN C=CCNC(=S)NN=C(C)c1ccc(OC)c(NC(C)=O)c1 ZINC000726417708 636430398 /nfs/dbraw/zinc/43/03/98/636430398.db2.gz HIHRAVYCJGYWLC-UHFFFAOYSA-N 0 0 320.418 2.028 10 30 DEEERN C#Cc1cccc(N(C)C(=O)Cn2cnc3ccccc3c2=O)c1 ZINC000103033810 637493624 /nfs/dbraw/zinc/49/36/24/637493624.db2.gz WYTAIDKOJGZTKA-UHFFFAOYSA-N 0 0 317.348 2.041 10 30 DEEERN COC[C@@H](NC(=O)COc1cccc(C#N)c1)c1ccccc1 ZINC000727098624 637738866 /nfs/dbraw/zinc/73/88/66/637738866.db2.gz SLHSUWDBRUZVLC-QGZVFWFLSA-N 0 0 310.353 2.441 10 30 DEEERN CC[S@@](=O)CCNC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000741418163 637979704 /nfs/dbraw/zinc/97/97/04/637979704.db2.gz MKXWOHSLRDZYIL-JOCHJYFZSA-N 0 0 323.418 2.236 10 30 DEEERN COc1ccc(CNC(=O)NC2CCSCC2)cc1C#N ZINC000746729488 638373454 /nfs/dbraw/zinc/37/34/54/638373454.db2.gz WBYRFQDUQXJKMU-UHFFFAOYSA-N 0 0 305.403 2.262 10 30 DEEERN COc1ccc(CNC(=O)NC[C@@H](OC)C(C)(C)C)cc1C#N ZINC000746733895 638373714 /nfs/dbraw/zinc/37/37/14/638373714.db2.gz LAMOJFYQZXXXQB-OAHLLOKOSA-N 0 0 319.405 2.427 10 30 DEEERN COc1ccc(CNC(=O)N[C@@H]2CCCSC2)cc1C#N ZINC000746774920 638377720 /nfs/dbraw/zinc/37/77/20/638377720.db2.gz DTVOIMDAYCKLMR-CYBMUJFWSA-N 0 0 305.403 2.262 10 30 DEEERN COc1ccc(CNC(=O)c2cc3c([nH]c2=O)CCC3)cc1C#N ZINC000747078634 638405708 /nfs/dbraw/zinc/40/57/08/638405708.db2.gz DVNKCMBBOSDDIC-UHFFFAOYSA-N 0 0 323.352 2.086 10 30 DEEERN CC[S@@](=O)CCNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000747974872 638497081 /nfs/dbraw/zinc/49/70/81/638497081.db2.gz UFMSUSQDHFLVRR-SPLOXXLWSA-N 0 0 307.419 2.099 10 30 DEEERN C#CCCCS(=O)(=O)NCc1cc(Cl)ccc1OC ZINC000804953232 638534735 /nfs/dbraw/zinc/53/47/35/638534735.db2.gz IEXSVBIHWJLDIG-UHFFFAOYSA-N 0 0 301.795 2.181 10 30 DEEERN C#CCNC(=O)CNC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000749266485 638630589 /nfs/dbraw/zinc/63/05/89/638630589.db2.gz WODYUWIAEYYKLR-UHFFFAOYSA-N 0 0 314.335 2.393 10 30 DEEERN COc1c(C)cnc(CNC(=O)Cc2cccc(C#N)c2)c1C ZINC000749365315 638638369 /nfs/dbraw/zinc/63/83/69/638638369.db2.gz YQYYLAXISIUNRI-UHFFFAOYSA-N 0 0 309.369 2.438 10 30 DEEERN C=CCCC(=O)OCC(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000728100338 639004132 /nfs/dbraw/zinc/00/41/32/639004132.db2.gz REHWVJXEKOEUBB-JTQLQIEISA-N 0 0 303.314 2.098 10 30 DEEERN COc1ccc(CNC(=O)c2cccc3[nH]c(=O)oc32)cc1C#N ZINC000752139170 639158379 /nfs/dbraw/zinc/15/83/79/639158379.db2.gz OZJNNAJNRFFMFS-UHFFFAOYSA-N 0 0 323.308 2.344 10 30 DEEERN C#CCN(CC#C)Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000752303736 639171645 /nfs/dbraw/zinc/17/16/45/639171645.db2.gz XWLGUUNSEDWBQY-UHFFFAOYSA-N 0 0 319.286 2.423 10 30 DEEERN C#Cc1ccc(C(=O)N[C@@H](CC(=O)OCC)c2ccccc2)nc1 ZINC000728819320 639444087 /nfs/dbraw/zinc/44/40/87/639444087.db2.gz YTFTVTDWJGGYGE-KRWDZBQOSA-N 0 0 322.364 2.487 10 30 DEEERN C=C[C@@](C)(CCOC)COC(=O)c1ccc2c(c1)nnn2C ZINC000191112986 639511384 /nfs/dbraw/zinc/51/13/84/639511384.db2.gz DWTKTLWTIRJKBU-INIZCTEOSA-N 0 0 303.362 2.354 10 30 DEEERN N#CCSCC(=O)OCC1CCN(CC(F)(F)F)CC1 ZINC000119241024 640250343 /nfs/dbraw/zinc/25/03/43/640250343.db2.gz SYNOLQHRZVXLNU-UHFFFAOYSA-N 0 0 310.341 2.061 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCC[C@@H]1CCOC1 ZINC000805279399 640600367 /nfs/dbraw/zinc/60/03/67/640600367.db2.gz JJXSTVOBISKONX-IAGOWNOFSA-N 0 0 300.402 2.347 10 30 DEEERN CC(C)[C@H](OC(=O)/C=C\c1ccccc1C#N)C(=O)N(C)C ZINC000729703174 640830717 /nfs/dbraw/zinc/83/07/17/640830717.db2.gz HNXZNGSZQOPULN-YDZSZYSISA-N 0 0 300.358 2.227 10 30 DEEERN CC(C)[C@@H](OC(=O)CSc1ccc(C#N)cc1)C(=O)N(C)C ZINC000729715046 640833028 /nfs/dbraw/zinc/83/30/28/640833028.db2.gz ZYLSKWZXTFWPAB-OAHLLOKOSA-N 0 0 320.414 2.306 10 30 DEEERN C#CCN1CCC[C@H]1COC(=O)c1ccc(SCC)nc1 ZINC000729811967 640844537 /nfs/dbraw/zinc/84/45/37/640844537.db2.gz HZRQNBSEDVUGMD-AWEZNQCLSA-N 0 0 304.415 2.448 10 30 DEEERN N#Cc1ccc(CNC(=O)c2cc3c(cc2O)OCO3)c(F)c1 ZINC000729862764 640850304 /nfs/dbraw/zinc/85/03/04/640850304.db2.gz GMAIEVCLTIIIAG-UHFFFAOYSA-N 0 0 314.272 2.062 10 30 DEEERN C#C[C@@H](CC)NC(=O)NCc1cc(Br)ccc1O ZINC000805347605 640973772 /nfs/dbraw/zinc/97/37/72/640973772.db2.gz MOFXAHSANHFNAU-NSHDSACASA-N 0 0 311.179 2.366 10 30 DEEERN C[C@H](C(=O)OCCc1ccccc1Cl)n1cnc(C#N)n1 ZINC000805554965 642115781 /nfs/dbraw/zinc/11/57/81/642115781.db2.gz IYKMRUXUZBZUBW-SNVBAGLBSA-N 0 0 304.737 2.150 10 30 DEEERN C#Cc1ccc(C(=O)N[C@H](C)Cc2ccc(OC)c(OC)c2)nc1 ZINC000730191478 643089368 /nfs/dbraw/zinc/08/93/68/643089368.db2.gz YETRZGHDMUDQOU-CYBMUJFWSA-N 0 0 324.380 2.441 10 30 DEEERN C=CC[C@H](C(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccccc1 ZINC000909177704 645118377 /nfs/dbraw/zinc/11/83/77/645118377.db2.gz FHXJPKNXDNMRJY-YLFCFFPRSA-N 0 0 311.385 2.034 10 30 DEEERN CC#CC(=O)N1CCN(Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000801177038 645348966 /nfs/dbraw/zinc/34/89/66/645348966.db2.gz CWGUYDIVCYWKGI-YJBOKZPZSA-N 0 0 313.445 2.472 10 30 DEEERN C=CCOc1ccc(C(=O)OCc2nc(N(C)C)no2)cc1 ZINC000801221613 645354278 /nfs/dbraw/zinc/35/42/78/645354278.db2.gz KMGLCSCPRCNNHP-UHFFFAOYSA-N 0 0 303.318 2.057 10 30 DEEERN C[C@@H](C#N)OCCOC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000801852159 645450580 /nfs/dbraw/zinc/45/05/80/645450580.db2.gz CQGPTWLHPSPMIT-LBPRGKRZSA-N 0 0 314.341 2.345 10 30 DEEERN C#Cc1cc(F)c(NC(=O)C(=O)N2CC(C)=C[C@@H](C)C2)c(F)c1 ZINC000802578537 645535683 /nfs/dbraw/zinc/53/56/83/645535683.db2.gz YYQMVZVSCKUPMM-SNVBAGLBSA-N 0 0 318.323 2.309 10 30 DEEERN CC(C)C(Cn1cccn1)N=Nc1ccc(S(C)(=O)=O)cc1 ZINC000802707605 645545193 /nfs/dbraw/zinc/54/51/93/645545193.db2.gz BHVDYRTXKFIHQP-UHFFFAOYSA-N 0 0 320.418 2.411 10 30 DEEERN CC#CCCCCOC(=O)c1nnn(Cc2ccncc2)c1C ZINC000802764860 645553617 /nfs/dbraw/zinc/55/36/17/645553617.db2.gz AARYIXQCGFTMPU-UHFFFAOYSA-N 0 0 312.373 2.380 10 30 DEEERN C=CCCCCCCCOC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000802980456 645589920 /nfs/dbraw/zinc/58/99/20/645589920.db2.gz NVHZBRUJDNQXHG-AWEZNQCLSA-N 0 0 317.451 2.480 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnn(Cc2ccccc2)c1Cl ZINC000803106955 645607339 /nfs/dbraw/zinc/60/73/39/645607339.db2.gz ZSXSXDUQZYHHCJ-ZDUSSCGKSA-N 0 0 319.792 2.252 10 30 DEEERN C#CC[C@@]1(C(=O)N[C@@H]2C[C@H]2C)CCCN1C(=O)OC(C)(C)C ZINC000803691157 645680148 /nfs/dbraw/zinc/68/01/48/645680148.db2.gz LLULKLJDLXXPIS-XNJGSVPQSA-N 0 0 306.406 2.304 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1ccc([N+](=O)[O-])cc1OC ZINC000803697361 645681027 /nfs/dbraw/zinc/68/10/27/645681027.db2.gz BJHGLTWCFLBYIQ-UHFFFAOYSA-N 0 0 301.298 2.309 10 30 DEEERN C#CCC(CC#C)C(=O)OCCOc1cccc(C(=O)OC)c1 ZINC000803698780 645681877 /nfs/dbraw/zinc/68/18/77/645681877.db2.gz ZQIMRKHZKBXSMT-UHFFFAOYSA-N 0 0 314.337 2.058 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000803700170 645682411 /nfs/dbraw/zinc/68/24/11/645682411.db2.gz FDNJFDGMULMNLV-GOSISDBHSA-N 0 0 323.392 2.384 10 30 DEEERN C#CCC(CC#C)C(=O)OCCCn1c(=O)[nH]c2ccccc21 ZINC000803701407 645682486 /nfs/dbraw/zinc/68/24/86/645682486.db2.gz RGYNNQQCHURHPK-UHFFFAOYSA-N 0 0 310.353 2.338 10 30 DEEERN C#CCN(C(=O)C(=O)N[C@H](C)c1ccsc1)C1CCCC1 ZINC000804078633 645726354 /nfs/dbraw/zinc/72/63/54/645726354.db2.gz MWRKGWLTEHUTBC-GFCCVEGCSA-N 0 0 304.415 2.330 10 30 DEEERN C=C(Br)CN1C(=O)N[C@H](CCOC(C)(C)C)C1=O ZINC000804183752 645734101 /nfs/dbraw/zinc/73/41/01/645734101.db2.gz APPZKVFCQAIXPR-SECBINFHSA-N 0 0 319.199 2.021 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC000804452682 645773090 /nfs/dbraw/zinc/77/30/90/645773090.db2.gz KZGJVHOYZYHDOB-IAGOWNOFSA-N 0 0 307.397 2.196 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccc(OCC(F)(F)F)nc1 ZINC000806454161 645833233 /nfs/dbraw/zinc/83/32/33/645833233.db2.gz GYACDGCNAHQMMM-UHFFFAOYSA-N 0 0 324.302 2.302 10 30 DEEERN C=C(Br)CNC(=O)N1CCCCC[C@@H]1CCO ZINC000806550131 645844689 /nfs/dbraw/zinc/84/46/89/645844689.db2.gz CAAXDYNYOFWPIW-LLVKDONJSA-N 0 0 305.216 2.232 10 30 DEEERN C=CC[C@@H](NC(=O)C1CN(CC(F)(F)F)C1)c1ccncc1 ZINC000806865359 645880591 /nfs/dbraw/zinc/88/05/91/645880591.db2.gz XNCGUXGKKHNXSN-CYBMUJFWSA-N 0 0 313.323 2.309 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@H]1CCCOC1 ZINC000807468541 645954593 /nfs/dbraw/zinc/95/45/93/645954593.db2.gz WYFRURUBHFXCPZ-SJORKVTESA-N 0 0 300.402 2.441 10 30 DEEERN C#Cc1cncc(C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)c1 ZINC000807485415 645956717 /nfs/dbraw/zinc/95/67/17/645956717.db2.gz NJEOIJBYRXPODG-HXUWFJFHSA-N 0 0 320.392 2.229 10 30 DEEERN CC(=NNCCOCC(F)(F)F)c1cn2c(n1)CCCC2 ZINC000807980594 646015375 /nfs/dbraw/zinc/01/53/75/646015375.db2.gz WEVRRADHHYYGEL-UHFFFAOYSA-N 0 0 304.316 2.112 10 30 DEEERN C#CCN(C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C1CCCC1 ZINC000163992819 646410745 /nfs/dbraw/zinc/41/07/45/646410745.db2.gz QWORCDQYXZYEDZ-KRWDZBQOSA-N 0 0 324.424 2.440 10 30 DEEERN C#CC[C@H](OC(=O)CN(CCc1ccccc1)C(C)=O)C1CC1 ZINC000157019193 646493356 /nfs/dbraw/zinc/49/33/56/646493356.db2.gz DHNPGYKEKDMBOQ-SFHVURJKSA-N 0 0 313.397 2.423 10 30 DEEERN CCN(C[C@@H](C)C#N)Cn1nnn(-c2ccccc2)c1=S ZINC000171065486 646684446 /nfs/dbraw/zinc/68/44/46/646684446.db2.gz PJXAKWLAHNQGKC-LBPRGKRZSA-N 0 0 302.407 2.237 10 30 DEEERN C=CCCOCC(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000604252793 646693719 /nfs/dbraw/zinc/69/37/19/646693719.db2.gz HGIPPIIFRLCXEY-UHFFFAOYSA-N 0 0 322.380 2.076 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)NC/C=C/c2ccccc2)c1 ZINC000171873016 646715432 /nfs/dbraw/zinc/71/54/32/646715432.db2.gz YMMFGJDSENNAFZ-YRNVUSSQSA-N 0 0 304.349 2.436 10 30 DEEERN CC[C@H](C#N)Oc1cc(CNC(=O)CSC)ccc1OC ZINC000172007379 646718530 /nfs/dbraw/zinc/71/85/30/646718530.db2.gz MIWKYDQQJLPDLH-GFCCVEGCSA-N 0 0 308.403 2.355 10 30 DEEERN C#C[C@H](OC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1)C1CC1 ZINC000152540019 647211560 /nfs/dbraw/zinc/21/15/60/647211560.db2.gz SCXNMANTHWEVTN-VYDXJSESSA-N 0 0 315.344 2.300 10 30 DEEERN C#CCN(C1CCCC1)S(=O)(=O)c1cnc2onc(C)c2c1 ZINC000153122562 647359658 /nfs/dbraw/zinc/35/96/58/647359658.db2.gz UNWDRVCEMYITCD-UHFFFAOYSA-N 0 0 319.386 2.098 10 30 DEEERN C=C(C)CN(CC)C(=O)COC(=O)Cn1ncc2ccccc21 ZINC000730637851 647376955 /nfs/dbraw/zinc/37/69/55/647376955.db2.gz PAFDWCUYMLSIBN-UHFFFAOYSA-N 0 0 315.373 2.004 10 30 DEEERN C=CCOc1ccc(C(=O)O[C@H]2C(=O)OCC2(C)C)cc1OC ZINC000731549829 647492226 /nfs/dbraw/zinc/49/22/26/647492226.db2.gz VZMPVQUNARLRQA-AWEZNQCLSA-N 0 0 320.341 2.368 10 30 DEEERN C[C@@H]1CCCC[C@@H]1NC(=S)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732626778 647633069 /nfs/dbraw/zinc/63/30/69/647633069.db2.gz OKEKYYMMDQDWNI-SNPRPXQTSA-N 0 0 306.479 2.112 10 30 DEEERN COc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(Cl)c1 ZINC000732648748 647636017 /nfs/dbraw/zinc/63/60/17/647636017.db2.gz YJLXLHORSLOHBV-LBPRGKRZSA-N 0 0 319.792 2.161 10 30 DEEERN N#CCSCC(=O)OCCNc1ccc(C(F)(F)F)cn1 ZINC000153898174 647846781 /nfs/dbraw/zinc/84/67/81/647846781.db2.gz YIBTXKBYGAWRQQ-UHFFFAOYSA-N 0 0 319.308 2.312 10 30 DEEERN CCOC(=O)C1(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)CC1 ZINC000181057787 648541412 /nfs/dbraw/zinc/54/14/12/648541412.db2.gz TXTJNLCCHOCFTN-ZDUSSCGKSA-N 0 0 319.332 2.394 10 30 DEEERN C=C[C@@H](CC)OC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000181239822 648590374 /nfs/dbraw/zinc/59/03/74/648590374.db2.gz HSTOPOXGEKIQNK-NSHDSACASA-N 0 0 324.427 2.497 10 30 DEEERN Cc1nn(C(C)(C)C)cc1C(=O)OCC1(C#N)CCOCC1 ZINC000181666762 648725155 /nfs/dbraw/zinc/72/51/55/648725155.db2.gz RUCJKUPORNQWCV-UHFFFAOYSA-N 0 0 305.378 2.424 10 30 DEEERN O=C(OCC#Cc1ccccc1)c1ccnc(O[C@H]2CCOC2)c1 ZINC000183529910 649101488 /nfs/dbraw/zinc/10/14/88/649101488.db2.gz WYOGYMMFBFPDMF-KRWDZBQOSA-N 0 0 323.348 2.458 10 30 DEEERN COc1cccc(CCC(=O)OCC2(C#N)CCOCC2)c1 ZINC000183985129 649218205 /nfs/dbraw/zinc/21/82/05/649218205.db2.gz HYGQXTXVLDZLOU-UHFFFAOYSA-N 0 0 303.358 2.491 10 30 DEEERN C#CCCNC(=O)NCc1ccnc(OCc2ccccc2)c1 ZINC000733339408 649550340 /nfs/dbraw/zinc/55/03/40/649550340.db2.gz LSSRYYBZLMIVNV-UHFFFAOYSA-N 0 0 309.369 2.483 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1 ZINC000106635682 651373007 /nfs/dbraw/zinc/37/30/07/651373007.db2.gz ZMBBEGXAKOMGKG-HZPDHXFCSA-N 0 0 317.385 2.376 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)N[C@H](C)C(C)(C)C)c1 ZINC000112443333 651522954 /nfs/dbraw/zinc/52/29/54/651522954.db2.gz HVDLWKWGMIRRSU-GFCCVEGCSA-N 0 0 301.390 2.340 10 30 DEEERN C=CCOCCCC(=O)[C@@H](C#N)c1nnc2n1CCCCC2 ZINC000076842012 683946851 /nfs/dbraw/zinc/94/68/51/683946851.db2.gz NUSZEAPYCONAEV-CYBMUJFWSA-N 0 0 302.378 2.164 10 30 DEEERN CC(C)[C@H](C#N)OC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000080390394 683981877 /nfs/dbraw/zinc/98/18/77/683981877.db2.gz SXEQWNJXZLQQLC-LBPRGKRZSA-N 0 0 305.725 2.021 10 30 DEEERN Cn1cc(C#N)cc1C(=O)OCc1ccc(-n2cccn2)cc1 ZINC000080971340 683987230 /nfs/dbraw/zinc/98/72/30/683987230.db2.gz WMQLHLWPNYJESM-UHFFFAOYSA-N 0 0 306.325 2.439 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NC[C@H](O)c1ccc(Cl)cc1 ZINC000081730063 683993377 /nfs/dbraw/zinc/99/33/77/683993377.db2.gz FZGCVXCYLJNFNX-AWEZNQCLSA-N 0 0 303.749 2.014 10 30 DEEERN CC[C@H](C#N)OC(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000084708376 684005582 /nfs/dbraw/zinc/00/55/82/684005582.db2.gz XLYLQYUVDKFJDS-OAHLLOKOSA-N 0 0 300.358 2.384 10 30 DEEERN C=CCC[C@H](C)OC(=O)CCNS(=O)(=O)c1cccs1 ZINC000089319888 684021958 /nfs/dbraw/zinc/02/19/58/684021958.db2.gz BKAMVNRLIKESPZ-NSHDSACASA-N 0 0 317.432 2.314 10 30 DEEERN C[C@H](C#N)Oc1ccc(CN2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000093611753 684050950 /nfs/dbraw/zinc/05/09/50/684050950.db2.gz BWNRRXNWBMWGNX-BXUZGUMPSA-N 0 0 314.307 2.477 10 30 DEEERN C#CCN[C@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000104366211 684059494 /nfs/dbraw/zinc/05/94/94/684059494.db2.gz URVQKWQRALZYOU-OAHLLOKOSA-N 0 0 322.202 2.072 10 30 DEEERN CC(C)NC(=O)[C@H](C#N)C(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000120081252 684091692 /nfs/dbraw/zinc/09/16/92/684091692.db2.gz QWTSNANOXBPNSQ-LLVKDONJSA-N 0 0 322.311 2.161 10 30 DEEERN Cc1cccc(C(=O)N[C@H](C)C#N)c1NC(=O)c1ccncc1 ZINC000125053163 684141314 /nfs/dbraw/zinc/14/13/14/684141314.db2.gz MMQXVQPZQUEEIJ-GFCCVEGCSA-N 0 0 308.341 2.284 10 30 DEEERN N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1cnn2c1CCCC2 ZINC000125608765 684147541 /nfs/dbraw/zinc/14/75/41/684147541.db2.gz AEGIZAHDLGTWQO-ZDUSSCGKSA-N 0 0 308.341 2.181 10 30 DEEERN CC(=O)CCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130872639 684193935 /nfs/dbraw/zinc/19/39/35/684193935.db2.gz VCUYDETYCDXVGC-UHFFFAOYSA-N 0 0 308.385 2.208 10 30 DEEERN CCCCC1CCC(C(=O)[C@H](C#N)C(=O)NCCOC)CC1 ZINC000193421452 685040757 /nfs/dbraw/zinc/04/07/57/685040757.db2.gz LUOUKNSFGKSRHX-NRXISQOPSA-N 0 0 308.422 2.454 10 30 DEEERN Cc1c([N+](=O)[O-])cc(C(=O)NC2(C#N)CCCC2)cc1[N+](=O)[O-] ZINC000194937054 685081723 /nfs/dbraw/zinc/08/17/23/685081723.db2.gz BGIQRUCVROQLPI-UHFFFAOYSA-N 0 0 318.289 2.378 10 30 DEEERN C#Cc1cccc(N(CC)S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000246851554 685137586 /nfs/dbraw/zinc/13/75/86/685137586.db2.gz VAXMDMXAINGCAB-CQSZACIVSA-N 0 0 306.431 2.471 10 30 DEEERN C[C@H](C#N)CNC(=O)N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000248432863 685158979 /nfs/dbraw/zinc/15/89/79/685158979.db2.gz CTPDQNOJHPGTBL-AGIUHOORSA-N 0 0 324.425 2.139 10 30 DEEERN O=C(CON=C1CCCOCC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000588600240 777577741 /nfs/dbraw/zinc/57/77/41/777577741.db2.gz XQGFJVDKAZJSFH-NSHDSACASA-N 0 0 322.327 2.360 10 30 DEEERN C#Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)nc1 ZINC000728825737 778521679 /nfs/dbraw/zinc/52/16/79/778521679.db2.gz GJNGQILWTYJKRO-UHFFFAOYSA-N 0 0 307.353 2.152 10 30 DEEERN C#CC[C@H](COC)Nc1ccccc1S(=O)(=O)C(F)F ZINC000716359759 792954274 /nfs/dbraw/zinc/95/42/74/792954274.db2.gz YHAROQVFDMVOHP-SNVBAGLBSA-N 0 0 303.330 2.133 10 30 DEEERN C#CC[C@H](COC)NC(=O)c1cc(F)cc(Br)c1 ZINC000716843623 793009667 /nfs/dbraw/zinc/00/96/67/793009667.db2.gz CBQOCLFYAOBJHI-GFCCVEGCSA-N 0 0 314.154 2.356 10 30 DEEERN CC[C@H](C[C@@H](C)O)NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000716952719 797943041 /nfs/dbraw/zinc/94/30/41/797943041.db2.gz ICFCCYUECPNIOW-MWLCHTKSSA-N 0 0 316.810 2.039 10 30 DEEERN C#Cc1cccc(NC(=O)COc2cccc(C(=O)NC)c2)c1 ZINC000128332317 799218403 /nfs/dbraw/zinc/21/84/03/799218403.db2.gz GWTLLWDDFYHHKV-UHFFFAOYSA-N 0 0 308.337 2.045 10 30 DEEERN CC(=O)Nc1ccc(C)c(C(=O)OCC2(C#N)CCOCC2)c1 ZINC000187486984 800338808 /nfs/dbraw/zinc/33/88/08/800338808.db2.gz IWNWUROWCMQOMB-UHFFFAOYSA-N 0 0 316.357 2.431 10 30 DEEERN C#CCC[C@@H](O)CNC(=O)c1csc(Br)c1 ZINC000717902389 1081741764 /nfs/dbraw/zinc/74/17/64/1081741764.db2.gz ASTYJMXGAXADHN-SECBINFHSA-N 0 0 302.193 2.015 10 30 DEEERN C#CC1(O)CCN(Cc2csc(Br)c2)CC1 ZINC000708135369 1086676931 /nfs/dbraw/zinc/67/69/31/1086676931.db2.gz ZZBLEBWJYBISLQ-UHFFFAOYSA-N 0 0 300.221 2.471 10 30 DEEERN COC(C)(C)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000720055519 1089445332 /nfs/dbraw/zinc/44/53/32/1089445332.db2.gz XQXQIDSSTZZNIR-SECBINFHSA-N 0 0 316.810 2.303 10 30 DEEERN C=CCCCCCN(C)C(=O)[C@H]1COCCN1CC(F)F ZINC000353908947 1144003101 /nfs/dbraw/zinc/00/31/01/1144003101.db2.gz LSSOKYNDBQCUEI-CYBMUJFWSA-N 0 0 304.381 2.157 10 30 DEEERN N#Cc1ccc(NC(=O)[C@H]2NC(=O)O[C@@H]2c2ccccc2)cc1 ZINC000074695066 185010046 /nfs/dbraw/zinc/01/00/46/185010046.db2.gz YXEHRBZENOBNKQ-LSDHHAIUSA-N 0 0 307.309 2.346 10 30 DEEERN C=CCCCN(C)Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000076736446 185037769 /nfs/dbraw/zinc/03/77/69/185037769.db2.gz QKINEVYSUJCZCS-UHFFFAOYSA-N 0 0 317.418 2.041 10 30 DEEERN C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCO[C@H](C2CC2)C1 ZINC000624837116 365566208 /nfs/dbraw/zinc/56/62/08/365566208.db2.gz NVQDPACVKFNBTP-YUELXQCFSA-N 0 0 318.421 2.319 10 30 DEEERN C[C@H](CS(C)(=O)=O)Nc1ccc(C(F)(F)F)cc1C#N ZINC000081904184 192337286 /nfs/dbraw/zinc/33/72/86/192337286.db2.gz KOKWTBKYJOFLTE-MRVPVSSYSA-N 0 0 306.309 2.422 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1ccoc1 ZINC000612403427 361816921 /nfs/dbraw/zinc/81/69/21/361816921.db2.gz JAIVYDTXODGXKY-HUUCEWRRSA-N 0 0 304.390 2.189 10 30 DEEERN C=C(C)COCCNS(=O)(=O)c1ccc(C)c(F)c1F ZINC000625067091 365632484 /nfs/dbraw/zinc/63/24/84/365632484.db2.gz UWIJKBDMHZETIO-UHFFFAOYSA-N 0 0 305.346 2.144 10 30 DEEERN C#CCCCOc1cc(Cl)c(S(N)(=O)=O)cc1Cl ZINC000163138217 197612992 /nfs/dbraw/zinc/61/29/92/197612992.db2.gz ZHVNPKIVYCVKES-UHFFFAOYSA-N 0 0 308.186 2.433 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC000612434425 361826688 /nfs/dbraw/zinc/82/66/88/361826688.db2.gz PRJKGDSBHDTELP-KGLIPLIRSA-N 0 0 322.792 2.361 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(N)c(Br)c1 ZINC000078894576 185124258 /nfs/dbraw/zinc/12/42/58/185124258.db2.gz YZPJPKFSISKOBT-SKDRFNHKSA-N 0 0 308.179 2.453 10 30 DEEERN N#CCc1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc32)cc1 ZINC000078905294 185126607 /nfs/dbraw/zinc/12/66/07/185126607.db2.gz LFPCVZRZSPEQAU-UHFFFAOYSA-N 0 0 306.325 2.034 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000612701383 361896419 /nfs/dbraw/zinc/89/64/19/361896419.db2.gz XEVCUILSIGILDF-WNRNVDISSA-N 0 0 312.413 2.302 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Oc1cccc(C(=O)NC2CC2)c1 ZINC000278235595 214038625 /nfs/dbraw/zinc/03/86/25/214038625.db2.gz KFNJDWNLEQVVEA-HZPDHXFCSA-N 0 0 315.369 2.465 10 30 DEEERN CC(C)c1nnsc1C(=O)Nc1ccc(C#CC[NH3+])cc1 ZINC000087443185 185225095 /nfs/dbraw/zinc/22/50/95/185225095.db2.gz VOEURXZYGOUCRE-UHFFFAOYSA-N 0 0 300.387 2.224 10 30 DEEERN N#C[C@@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165366145 197675071 /nfs/dbraw/zinc/67/50/71/197675071.db2.gz CJTWJFWOXGCXAJ-JTQLQIEISA-N 0 0 324.134 2.485 10 30 DEEERN C=CCC[C@H](C(=O)N1CC[C@]2(CNC(=O)C2)C1)c1ccccc1 ZINC000278878602 214463884 /nfs/dbraw/zinc/46/38/84/214463884.db2.gz CSPMIQARVYZAHG-LPHOPBHVSA-N 0 0 312.413 2.475 10 30 DEEERN COc1ccc(C#CCCO)c(CSc2nccn2C)c1 ZINC000087788751 185232120 /nfs/dbraw/zinc/23/21/20/185232120.db2.gz ADGGAQGAEVEQRS-UHFFFAOYSA-N 0 0 302.399 2.455 10 30 DEEERN Cc1cc(CNC(=O)c2ccc(C#CCO)cn2)sc1C ZINC000087582599 185229103 /nfs/dbraw/zinc/22/91/03/185229103.db2.gz BWORLGQMKBYFMH-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN CN[C@](C)(C#N)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000088086806 185239505 /nfs/dbraw/zinc/23/95/05/185239505.db2.gz JKCXRAKFLOPWPZ-LLVKDONJSA-N 0 0 314.139 2.238 10 30 DEEERN C#CCNC(=O)[C@H](C)Nc1c(F)cc(Br)cc1F ZINC000088170919 185240963 /nfs/dbraw/zinc/24/09/63/185240963.db2.gz FYHFIWJSQIKTGL-ZETCQYMHSA-N 0 0 317.133 2.277 10 30 DEEERN CC[C@@H](C#N)S(=O)(=O)NCc1ccc(Br)cc1 ZINC000088474189 185252333 /nfs/dbraw/zinc/25/23/33/185252333.db2.gz DUPYNBLTEHRBSO-NSHDSACASA-N 0 0 317.208 2.171 10 30 DEEERN C=C(C)CCNS(=O)(=O)C[C@H](OC)c1ccc(F)cc1 ZINC000625238081 365693859 /nfs/dbraw/zinc/69/38/59/365693859.db2.gz OYLTVGWESSSDEJ-AWEZNQCLSA-N 0 0 301.383 2.399 10 30 DEEERN Cc1ccccc1S(=O)(=O)Nc1ccc(C#CC[NH3+])cc1 ZINC000088716541 185263052 /nfs/dbraw/zinc/26/30/52/185263052.db2.gz ULHFHHLIJCBPJP-UHFFFAOYSA-N 0 0 300.383 2.106 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(c2cccnc2)CC1 ZINC000613185893 362031233 /nfs/dbraw/zinc/03/12/33/362031233.db2.gz LBCOONYWDDAPMJ-QGZVFWFLSA-N 0 0 315.417 2.259 10 30 DEEERN CCOC(=O)[C@@]1(CC)O[C@]1(C)c1ccc(S(C)(=O)=O)cc1 ZINC000092597802 185328406 /nfs/dbraw/zinc/32/84/06/185328406.db2.gz GHQUYZGUTPFDDC-HUUCEWRRSA-N 0 0 312.387 2.047 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(CCOC)cc2)C1 ZINC000625351407 365742124 /nfs/dbraw/zinc/74/21/24/365742124.db2.gz WLSFQEFNVVDJFY-OAHLLOKOSA-N 0 0 309.431 2.462 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cccc3c2OCCO3)C1 ZINC000625350881 365742228 /nfs/dbraw/zinc/74/22/28/365742228.db2.gz SHEMUMNKUOQOTE-LBPRGKRZSA-N 0 0 309.387 2.045 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000613837207 362227131 /nfs/dbraw/zinc/22/71/31/362227131.db2.gz AJARUDMAZJHUTO-LSDHHAIUSA-N 0 0 320.364 2.236 10 30 DEEERN C=C(C)CS(=O)(=O)NCCc1cccc2c1OC(F)(F)O2 ZINC000625377633 365754857 /nfs/dbraw/zinc/75/48/57/365754857.db2.gz PUVHKGQLICGCMT-UHFFFAOYSA-N 0 0 319.329 2.046 10 30 DEEERN CCCN1CCN(C(=O)c2ccc(C#N)cc2C)C(C)(C)C1=O ZINC000186453741 282277048 /nfs/dbraw/zinc/27/70/48/282277048.db2.gz PQPOQBICKWEBPZ-UHFFFAOYSA-N 0 0 313.401 2.340 10 30 DEEERN CCc1nnc(NCc2nc(-c3ccco3)n[nH]2)c(C#N)c1CC ZINC000301624259 529769548 /nfs/dbraw/zinc/76/95/48/529769548.db2.gz PDMQIGKWOGWTAC-UHFFFAOYSA-N 0 0 323.360 2.463 10 30 DEEERN CN(C)c1ncncc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181757236 529816880 /nfs/dbraw/zinc/81/68/80/529816880.db2.gz QOMLTVBNYIICBZ-UHFFFAOYSA-N 0 0 307.357 2.350 10 30 DEEERN CN(CCC#N)c1ccc(CN2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000371325954 529869874 /nfs/dbraw/zinc/86/98/74/529869874.db2.gz HEZTTYUOSQGJQV-IBGZPJMESA-N 0 0 323.444 2.209 10 30 DEEERN N#CCC(=O)N1CCN(c2nnc(C3CCCCC3)s2)CC1 ZINC000170516327 197777979 /nfs/dbraw/zinc/77/79/79/197777979.db2.gz LLZFYVFYVAKAHR-UHFFFAOYSA-N 0 0 319.434 2.148 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(-n2c(=O)[nH][nH]c2=O)cc1 ZINC000614748640 362453177 /nfs/dbraw/zinc/45/31/77/362453177.db2.gz SHGIQJDABFFSND-JTQLQIEISA-N 0 0 302.334 2.219 10 30 DEEERN C=CCNC(=O)COc1ccc(Br)cc1[C@@H](C)O ZINC000052068023 190681781 /nfs/dbraw/zinc/68/17/81/190681781.db2.gz BDUMGAMXGWZQSA-SECBINFHSA-N 0 0 314.179 2.183 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1c2ccccc2O[C@@H]1C ZINC000614938943 362494549 /nfs/dbraw/zinc/49/45/49/362494549.db2.gz GUYJBRLPHJBBAC-WPGHFRTFSA-N 0 0 302.374 2.096 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000625504508 365808361 /nfs/dbraw/zinc/80/83/61/365808361.db2.gz WJQDGTDHQGUARA-OAHLLOKOSA-N 0 0 322.449 2.123 10 30 DEEERN C=CCC1(CNC(=O)CN2CCN(C3CC3)C2=O)CCCC1 ZINC000615976788 362743436 /nfs/dbraw/zinc/74/34/36/362743436.db2.gz RUCHDRIRZIEONG-UHFFFAOYSA-N 0 0 305.422 2.139 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)C[C@@H](C)c1nccs1 ZINC000625529401 365815479 /nfs/dbraw/zinc/81/54/79/365815479.db2.gz JJPYCFHMRYEGRX-GFCCVEGCSA-N 0 0 323.462 2.424 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)CCc1cccs1 ZINC000625530375 365816136 /nfs/dbraw/zinc/81/61/36/365816136.db2.gz CFQXIKVYGARPKQ-UHFFFAOYSA-N 0 0 308.447 2.468 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](OC)[C@H]1CCOC1 ZINC000616303084 362821094 /nfs/dbraw/zinc/82/10/94/362821094.db2.gz RURRJKAODCCOBH-BBWFWOEESA-N 0 0 303.402 2.342 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](OC)[C@H]1CCOC1 ZINC000616303086 362821211 /nfs/dbraw/zinc/82/12/11/362821211.db2.gz RURRJKAODCCOBH-GVDBMIGSSA-N 0 0 303.402 2.342 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000625724916 365882540 /nfs/dbraw/zinc/88/25/40/365882540.db2.gz PMCVPNDNXYBAGI-UHFFFAOYSA-N 0 0 316.401 2.197 10 30 DEEERN CS(=O)(=O)N1C[C@H](c2cccc(C#N)c2)Nc2ccccc21 ZINC000616692195 362911373 /nfs/dbraw/zinc/91/13/73/362911373.db2.gz SJQXGQNWGDERSV-OAHLLOKOSA-N 0 0 313.382 2.491 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1cccnc1OCC(F)(F)F ZINC000277363663 213472172 /nfs/dbraw/zinc/47/21/72/213472172.db2.gz IPLFYDWCUNRCBZ-UHFFFAOYSA-N 0 0 324.302 2.302 10 30 DEEERN C=C(Cl)CNC(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277349035 213464098 /nfs/dbraw/zinc/46/40/98/213464098.db2.gz GFILQWDSHYTGRK-BDAKNGLRSA-N 0 0 300.708 2.084 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000277345436 213461540 /nfs/dbraw/zinc/46/15/40/213461540.db2.gz DWNXHCJKABOWLC-INIZCTEOSA-N 0 0 324.424 2.301 10 30 DEEERN C[C@@H]1SCCN(C(=O)c2ccc(C#CCCO)cc2)[C@H]1C ZINC000133650856 186003561 /nfs/dbraw/zinc/00/35/61/186003561.db2.gz OICWBQMIYSCPEA-KBPBESRZSA-N 0 0 303.427 2.387 10 30 DEEERN CC(C)(C#N)CCCOc1c(F)cc(S(N)(=O)=O)cc1F ZINC000147442725 186040270 /nfs/dbraw/zinc/04/02/70/186040270.db2.gz HHWWMQONTDESKB-UHFFFAOYSA-N 0 0 318.345 2.321 10 30 DEEERN C[C@H]1CCC[C@H](C)N1NC(=O)c1csc(C#CCCO)c1 ZINC000149851673 186052948 /nfs/dbraw/zinc/05/29/48/186052948.db2.gz VWLWOYGDXGJHEO-STQMWFEESA-N 0 0 306.431 2.390 10 30 DEEERN Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#CC[NH3+])c2)s1 ZINC000164411890 186158580 /nfs/dbraw/zinc/15/85/80/186158580.db2.gz CNGRDPIMOVFIST-UHFFFAOYSA-N 0 0 324.402 2.307 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000265133974 186335686 /nfs/dbraw/zinc/33/56/86/186335686.db2.gz HUKNFUZRCLVKSX-ZIAGYGMSSA-N 0 0 302.374 2.017 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(OCC(N)=O)c1 ZINC000617037569 363007044 /nfs/dbraw/zinc/00/70/44/363007044.db2.gz OOSGJPZVQCBBEC-CZUORRHYSA-N 0 0 316.401 2.415 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2nnc(C)n2C1 ZINC000617039424 363007051 /nfs/dbraw/zinc/00/70/51/363007051.db2.gz HDCGRODUZAXGFQ-QLFBSQMISA-N 0 0 302.422 2.400 10 30 DEEERN C[C@H]1COC(C)(C)CN1C(=O)NCc1ccc(C#N)cc1F ZINC000617049371 363008941 /nfs/dbraw/zinc/00/89/41/363008941.db2.gz AMQPREFHYHQQMU-NSHDSACASA-N 0 0 305.353 2.406 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)c1cnn3cccnc13)CCC2 ZINC000328821937 539911331 /nfs/dbraw/zinc/91/13/31/539911331.db2.gz PBLDIDSRBRBGFS-LBPRGKRZSA-N 0 0 310.361 2.116 10 30 DEEERN CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCC(=O)N2)C1 ZINC000328879942 539911735 /nfs/dbraw/zinc/91/17/35/539911735.db2.gz KJYMXGNSHQHLFT-NEPJUHHUSA-N 0 0 309.410 2.489 10 30 DEEERN CCC(=O)N1CSC[C@H]1C(=O)NCCOC1CCCC1 ZINC000328912291 539912042 /nfs/dbraw/zinc/91/20/42/539912042.db2.gz OWGQWXMCPQYLFR-LBPRGKRZSA-N 0 0 300.424 2.214 10 30 DEEERN Cc1csc(C2(NC(=O)[C@@H]3CCS(=O)(=O)C3)CCC2)n1 ZINC000329283517 539916820 /nfs/dbraw/zinc/91/68/20/539916820.db2.gz FSBYGDBLIBEEJS-SNVBAGLBSA-N 0 0 314.432 2.222 10 30 DEEERN [O-]C(=[NH+][C@@H]1CCc2ccccc2C1)N1CCc2cncnc2C1 ZINC000329300793 539918254 /nfs/dbraw/zinc/91/82/54/539918254.db2.gz VUUJRIADDUZLHN-MRXNPFEDSA-N 0 0 308.385 2.306 10 30 DEEERN O=C(CCc1ccc2c(c1)OCCO2)N[C@@H]1CCCNC1=O ZINC000329097925 539914266 /nfs/dbraw/zinc/91/42/66/539914266.db2.gz YQOZDYHKFFHIOV-GFCCVEGCSA-N 0 0 304.346 2.466 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ncn(C2CCCCC2)n1 ZINC000329738779 539928892 /nfs/dbraw/zinc/92/88/92/539928892.db2.gz MYLIMMNILYDEGJ-WCQYABFASA-N 0 0 302.382 2.801 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000332954983 539944755 /nfs/dbraw/zinc/94/47/55/539944755.db2.gz HRUHOYGOCWNOGT-XGUBFFRZSA-N 0 0 312.369 2.370 10 30 DEEERN C=CCN(CC=C)C(=O)CNC1(c2noc(CC)n2)CCCC1 ZINC000173694127 198241522 /nfs/dbraw/zinc/24/15/22/198241522.db2.gz OEFBFRNUSMBNTK-UHFFFAOYSA-N 0 0 318.421 2.192 10 30 DEEERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2cc(C#N)cs2)C1 ZINC000175882325 198521106 /nfs/dbraw/zinc/52/11/06/198521106.db2.gz LMNSAJMXXRCIDV-GFCCVEGCSA-N 0 0 315.402 2.251 10 30 DEEERN C=CCNC(=S)N/N=C/c1cc(Cl)c(OC)c(OC)c1 ZINC000003577413 181036979 /nfs/dbraw/zinc/03/69/79/181036979.db2.gz PAXKBWMJQFSAET-LZYBPNLTSA-N 0 0 313.810 2.341 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NCCc3ccco3)cc2C1=O ZINC000017909958 354042487 /nfs/dbraw/zinc/04/24/87/354042487.db2.gz WORTXYLPEHRMFQ-UHFFFAOYSA-N 0 0 324.336 2.034 10 30 DEEERN N#C[C@H](c1cccnc1)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000013728962 354027024 /nfs/dbraw/zinc/02/70/24/354027024.db2.gz YOHVEVVCGFLWDR-GOSISDBHSA-N 0 0 320.396 2.033 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1cc(C)n([C@@H]2CCCOC2)c1C ZINC000626362024 366161953 /nfs/dbraw/zinc/16/19/53/366161953.db2.gz YSMWHVPOJBEUQJ-JKSUJKDBSA-N 0 0 320.433 2.371 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1cc(C)n([C@@H]2CCCOC2)c1C ZINC000626362023 366162006 /nfs/dbraw/zinc/16/20/06/366162006.db2.gz YSMWHVPOJBEUQJ-HZPDHXFCSA-N 0 0 320.433 2.371 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1ccc(O[C@H]2CC2(F)F)cc1 ZINC000626362036 366162413 /nfs/dbraw/zinc/16/24/13/366162413.db2.gz YYIHJCIXMMLQRO-RISCZKNCSA-N 0 0 311.328 2.387 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc(OCC(=O)NC)cc2)C1 ZINC000626368411 366163280 /nfs/dbraw/zinc/16/32/80/366163280.db2.gz LYUOAEMPPDADMV-CYBMUJFWSA-N 0 0 317.389 2.241 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cccc(F)c1OC(F)(F)F ZINC000626448600 366191021 /nfs/dbraw/zinc/19/10/21/366191021.db2.gz FJYWYJWXTCHFKM-MRVPVSSYSA-N 0 0 307.243 2.391 10 30 DEEERN C=CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC(C)C ZINC000069545545 354870554 /nfs/dbraw/zinc/87/05/54/354870554.db2.gz HTAWLOBKIFTRGN-INIZCTEOSA-N 0 0 300.402 2.288 10 30 DEEERN CN(C)C(=O)C1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000073342530 354955026 /nfs/dbraw/zinc/95/50/26/354955026.db2.gz BVTMZULTHWTBCQ-UHFFFAOYSA-N 0 0 310.401 2.111 10 30 DEEERN C=CCCCN(C)C(=O)c1cccc(S(=O)(=O)NCC)c1 ZINC000076650638 355159714 /nfs/dbraw/zinc/15/97/14/355159714.db2.gz PSBOOMPYZUSUBP-UHFFFAOYSA-N 0 0 310.419 2.023 10 30 DEEERN CSC(=NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)NC#N ZINC000073736716 191349468 /nfs/dbraw/zinc/34/94/68/191349468.db2.gz CWOZVGKEAAMGDB-NSHDSACASA-N 0 0 312.439 2.423 10 30 DEEERN CN1c2cc(CC(=O)Nc3cccc(C#N)c3)ccc2OCC1=O ZINC000074965792 191398155 /nfs/dbraw/zinc/39/81/55/191398155.db2.gz PJZJDQXQFBLIJE-UHFFFAOYSA-N 0 0 321.336 2.095 10 30 DEEERN CS(=O)(=O)c1ccc(CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000074971257 191399415 /nfs/dbraw/zinc/39/94/15/191399415.db2.gz DHXNCKZFBCRASE-UHFFFAOYSA-N 0 0 314.366 2.143 10 30 DEEERN N#Cc1ccncc1NC[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000091736016 355606495 /nfs/dbraw/zinc/60/64/95/355606495.db2.gz LQYXIBZZCRHECQ-INIZCTEOSA-N 0 0 320.396 2.456 10 30 DEEERN C[C@H]1CO[C@@H](CO)CN1c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092685143 355646474 /nfs/dbraw/zinc/64/64/74/355646474.db2.gz XOLCAUQSRBUFPN-GXFFZTMASA-N 0 0 317.776 2.346 10 30 DEEERN C=CCOc1ccc(CN2CCS(=O)(=O)C(C)(C)C2)cc1 ZINC000093735263 355685909 /nfs/dbraw/zinc/68/59/09/355685909.db2.gz DPJXLPWDJUFDGT-UHFFFAOYSA-N 0 0 309.431 2.260 10 30 DEEERN N#CCCN1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 ZINC000078527145 191878385 /nfs/dbraw/zinc/87/83/85/191878385.db2.gz GDJATUBFAAOCPP-VOTSOKGWSA-N 0 0 303.793 2.411 10 30 DEEERN COc1cccc(CNC(=O)NCc2ccc(C#N)cc2F)n1 ZINC000170935426 355995089 /nfs/dbraw/zinc/99/50/89/355995089.db2.gz TTXNCXLQDBHDFA-UHFFFAOYSA-N 0 0 314.320 2.100 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000180241581 356045976 /nfs/dbraw/zinc/04/59/76/356045976.db2.gz YFHAPJHPUGZVFZ-OAHLLOKOSA-N 0 0 321.808 2.393 10 30 DEEERN CCCn1cc(S(=O)(=O)N(CC#N)C2CCCC2)nc1C ZINC000080214210 192012023 /nfs/dbraw/zinc/01/20/23/192012023.db2.gz HYEKEIAQBJKBPJ-UHFFFAOYSA-N 0 0 310.423 2.058 10 30 DEEERN CC(C)NC(=O)N1CCC(C#N)(c2ccc3c(c2)OCO3)CC1 ZINC000219246617 356273219 /nfs/dbraw/zinc/27/32/19/356273219.db2.gz JSONEIGVSJBDSW-UHFFFAOYSA-N 0 0 315.373 2.390 10 30 DEEERN N#Cc1cncc(I)c1OC(F)(F)F ZINC000238522386 356303502 /nfs/dbraw/zinc/30/35/02/356303502.db2.gz MNINWHMZERKFHW-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN N#Cc1nc(I)ccc1OC(F)(F)F ZINC000238535410 356304198 /nfs/dbraw/zinc/30/41/98/356304198.db2.gz ASZRDHPXAGXEPB-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN COC(=O)c1c(F)cc(I)cc1C#N ZINC000306709098 356405511 /nfs/dbraw/zinc/40/55/11/356405511.db2.gz ULYOIXIYXWXHDI-UHFFFAOYSA-N 0 0 305.046 2.089 10 30 DEEERN N#Cc1cnc(NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)cn1 ZINC000328628355 356464261 /nfs/dbraw/zinc/46/42/61/356464261.db2.gz NQZSZNINYHGPMB-SECBINFHSA-N 0 0 322.294 2.238 10 30 DEEERN N#Cc1ccc(F)c(CN2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000408043682 283165791 /nfs/dbraw/zinc/16/57/91/283165791.db2.gz LABIZOYSCGIWPE-CGTJXYLNSA-N 0 0 318.392 2.449 10 30 DEEERN C=CCN(CCOC)C(=O)c1cc(C)n([C@@H]2CCOC2)c1C ZINC000626638286 366253428 /nfs/dbraw/zinc/25/34/28/366253428.db2.gz KMJPKKFZCVYCGM-OAHLLOKOSA-N 0 0 306.406 2.341 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(OC)c2ncccc12 ZINC000184627590 199744017 /nfs/dbraw/zinc/74/40/17/199744017.db2.gz QGYPRIMZSCWGCW-LLVKDONJSA-N 0 0 301.346 2.302 10 30 DEEERN C=CCOCCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000618514416 363512753 /nfs/dbraw/zinc/51/27/53/363512753.db2.gz JFOOUZIMJKHBIS-NSHDSACASA-N 0 0 320.414 2.442 10 30 DEEERN C=CCOCCCNC(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000618514943 363512757 /nfs/dbraw/zinc/51/27/57/363512757.db2.gz QGTFJLREELIQTG-LBPRGKRZSA-N 0 0 324.808 2.167 10 30 DEEERN C=CCOCCCNC(=O)Cn1c(CC)nc2ccccc21 ZINC000618518020 363513529 /nfs/dbraw/zinc/51/35/29/363513529.db2.gz WZXMMRDPSYBATE-UHFFFAOYSA-N 0 0 301.390 2.308 10 30 DEEERN C=CCOCCCNC(=O)C[C@H](NC(C)=O)c1ccc(C)cc1 ZINC000618517578 363513805 /nfs/dbraw/zinc/51/38/05/363513805.db2.gz NNFGWOUBGKKDTR-KRWDZBQOSA-N 0 0 318.417 2.271 10 30 DEEERN C=CCOCCCNC(=O)c1cncn1-c1ccc(F)cc1 ZINC000618517511 363514005 /nfs/dbraw/zinc/51/40/05/363514005.db2.gz LOSQKPQJFPKVPD-UHFFFAOYSA-N 0 0 303.337 2.334 10 30 DEEERN C=CCOCCCNC(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000618521169 363514425 /nfs/dbraw/zinc/51/44/25/363514425.db2.gz PMRCYVYQVUNIAE-UHFFFAOYSA-N 0 0 303.337 2.334 10 30 DEEERN C=CCOCCCNC(=O)c1cnc2c(cnn2CC(C)C)c1 ZINC000618522617 363514628 /nfs/dbraw/zinc/51/46/28/363514628.db2.gz NWZGIUGQZYMAEI-UHFFFAOYSA-N 0 0 316.405 2.410 10 30 DEEERN CC(C)SCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000380373587 356669255 /nfs/dbraw/zinc/66/92/55/356669255.db2.gz NCTQCZKZLWMLSB-UHFFFAOYSA-N 0 0 312.460 2.063 10 30 DEEERN CCC(CC)(CC)NS(=O)(=O)c1cccc(C#CCO)c1 ZINC000086647828 192587618 /nfs/dbraw/zinc/58/76/18/192587618.db2.gz ZUGHFVADFGPJGV-UHFFFAOYSA-N 0 0 309.431 2.278 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)Cc2cccc3cnccc32)C1=O ZINC000626848521 366344952 /nfs/dbraw/zinc/34/49/52/366344952.db2.gz FDCYHMZREYHZAE-QGZVFWFLSA-N 0 0 323.396 2.023 10 30 DEEERN C=C[C@](C)(CC)C(=O)N[C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000578328555 356800160 /nfs/dbraw/zinc/80/01/60/356800160.db2.gz DPIGZVVHQOEZRW-GOEBONIOSA-N 0 0 305.422 2.342 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCC[C@]1(C)CCCO ZINC000578453010 356820461 /nfs/dbraw/zinc/82/04/61/356820461.db2.gz BFFXPESMYWTLAO-QGZVFWFLSA-N 0 0 310.438 2.003 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccnn1C(C)(C)C ZINC000578785889 356873455 /nfs/dbraw/zinc/87/34/55/356873455.db2.gz XOBYJWKOWIDZIV-UHFFFAOYSA-N 0 0 306.410 2.439 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@@H](C)c1ncc(C)s1 ZINC000579127707 356927286 /nfs/dbraw/zinc/92/72/86/356927286.db2.gz JEIDBOOZXOOPJA-LBPRGKRZSA-N 0 0 309.435 2.491 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000581306886 357164772 /nfs/dbraw/zinc/16/47/72/357164772.db2.gz LJSNQARNNRFAPS-NXOAAHMSSA-N 0 0 322.449 2.160 10 30 DEEERN C=CCn1c(N2CCO[C@@](C)(CC)C2)nnc1[C@@]1(C)CCCO1 ZINC000581708614 357233934 /nfs/dbraw/zinc/23/39/34/357233934.db2.gz ZVGIZAVJHPKADO-DLBZAZTESA-N 0 0 320.437 2.495 10 30 DEEERN C[C@@H]1N(c2nnc(-c3ccc(C#N)cc3)n2C)CCOC1(C)C ZINC000584682065 357291201 /nfs/dbraw/zinc/29/12/01/357291201.db2.gz FZZSQCKLCRKUCI-LBPRGKRZSA-N 0 0 311.389 2.357 10 30 DEEERN Cc1c(Cl)cnc(N[C@H](C)C2(S(C)(=O)=O)CC2)c1C#N ZINC000588072569 357392181 /nfs/dbraw/zinc/39/21/81/357392181.db2.gz LJOWZMYLOJMUII-SECBINFHSA-N 0 0 313.810 2.293 10 30 DEEERN C=CCSCCNC(=O)N1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000588315851 357406149 /nfs/dbraw/zinc/40/61/49/357406149.db2.gz MTXXCZVFAJPLSJ-UWVGGRQHSA-N 0 0 312.357 2.267 10 30 DEEERN C=C[C@H](C(=O)OC)N1CCN(c2nccc3sccc32)CC1 ZINC000588977849 357437945 /nfs/dbraw/zinc/43/79/45/357437945.db2.gz NYSBLKKMQMSDAD-CYBMUJFWSA-N 0 0 317.414 2.146 10 30 DEEERN C=CCOC[C@@H](N[C@@H]1CCCc2ccccc2C1)C(=O)OC ZINC000590652739 357572865 /nfs/dbraw/zinc/57/28/65/357572865.db2.gz VAAZSLHLPQVCHH-IAGOWNOFSA-N 0 0 303.402 2.268 10 30 DEEERN C=CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C)(C#N)CC1 ZINC000591611727 357743066 /nfs/dbraw/zinc/74/30/66/357743066.db2.gz CDFFNTWMTMQYEQ-CQSZACIVSA-N 0 0 315.421 2.488 10 30 DEEERN Cn1cc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)c(C2CCOCC2)n1 ZINC000591721022 357753490 /nfs/dbraw/zinc/75/34/90/357753490.db2.gz ITKUTPQSEAFVSB-JSGCOSHPSA-N 0 0 316.405 2.126 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000591976350 357808834 /nfs/dbraw/zinc/80/88/34/357808834.db2.gz RRQHTVPEJOZWKN-ZFWWWQNUSA-N 0 0 319.361 2.119 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592874955 357967373 /nfs/dbraw/zinc/96/73/73/357967373.db2.gz XOYOLSLAVOROIF-QGZVFWFLSA-N 0 0 311.422 2.284 10 30 DEEERN C=C[C@H](C(=O)OC)N1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000593077213 358002399 /nfs/dbraw/zinc/00/23/99/358002399.db2.gz OZMIQRUOAZERLG-MRVWCRGKSA-N 0 0 319.405 2.175 10 30 DEEERN CC(C)c1ccc(OCCNC(=O)Cn2ccnc2C#N)cc1 ZINC000179862106 199088756 /nfs/dbraw/zinc/08/87/56/199088756.db2.gz OBRXAWAHOSNBQU-UHFFFAOYSA-N 0 0 312.373 2.073 10 30 DEEERN CCOc1ccccc1[C@@H](CC)NC(=O)Cn1ccnc1C#N ZINC000179861866 199089497 /nfs/dbraw/zinc/08/94/97/199089497.db2.gz OBAYCKICNIEFTA-CQSZACIVSA-N 0 0 312.373 2.421 10 30 DEEERN C=CCCn1cc(CNC2(C(=O)OC)CCCCCC2)nn1 ZINC000593969169 358180898 /nfs/dbraw/zinc/18/08/98/358180898.db2.gz WIJBHEIBISIQDD-UHFFFAOYSA-N 0 0 306.410 2.210 10 30 DEEERN C=CCCn1cc(COc2c(Cl)cncc2[N+](=O)[O-])nn1 ZINC000594453439 358275910 /nfs/dbraw/zinc/27/59/10/358275910.db2.gz XPEYIGQSASXAKZ-UHFFFAOYSA-N 0 0 309.713 2.390 10 30 DEEERN C=CCCn1cc(CS(=O)(=O)CCCCC(C)(C)C#N)nn1 ZINC000594571750 358295522 /nfs/dbraw/zinc/29/55/22/358295522.db2.gz IBUZSKLHWLVLKW-UHFFFAOYSA-N 0 0 324.450 2.489 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)NC[C@]1(C)CC1(F)F ZINC000594850244 358348497 /nfs/dbraw/zinc/34/84/97/358348497.db2.gz DCISEEPMGUIAKS-LBPRGKRZSA-N 0 0 300.330 2.190 10 30 DEEERN C[C@]1(CNS(=O)(=O)c2ccc(F)c(C#N)c2)CC1(F)F ZINC000594851686 358348585 /nfs/dbraw/zinc/34/85/85/358348585.db2.gz KEILGYLYXIJTSH-LLVKDONJSA-N 0 0 304.293 2.021 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@@H](CC(=O)OC)C1 ZINC000596661663 358734894 /nfs/dbraw/zinc/73/48/94/358734894.db2.gz PBLUAXRXCDELQV-QLFBSQMISA-N 0 0 324.421 2.095 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC(C)(C)CC#N ZINC000597342486 358893083 /nfs/dbraw/zinc/89/30/83/358893083.db2.gz MCRROXQFUDCEKR-ZIAGYGMSSA-N 0 0 305.422 2.294 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000597609938 358961829 /nfs/dbraw/zinc/96/18/29/358961829.db2.gz KHDGULKOQOQJTC-KKUMJFAQSA-N 0 0 323.433 2.452 10 30 DEEERN C=CCN(CCC#N)C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000597684067 358978073 /nfs/dbraw/zinc/97/80/73/358978073.db2.gz MRRXUSWDSLENEB-UHFFFAOYSA-N 0 0 311.385 2.482 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000597864135 359027998 /nfs/dbraw/zinc/02/79/98/359027998.db2.gz LALGWVPETMUPQU-TZMCWYRMSA-N 0 0 306.366 2.433 10 30 DEEERN C=CCc1cc(C(=O)N[C@@H](CO)CC=C)cc(OC)c1OC ZINC000185752923 199884182 /nfs/dbraw/zinc/88/41/82/199884182.db2.gz HRJHJFOWPUQPME-CQSZACIVSA-N 0 0 305.374 2.099 10 30 DEEERN C=CCN(CC=C)C(=O)CN1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000599499190 359512549 /nfs/dbraw/zinc/51/25/49/359512549.db2.gz XGUVOFSMLILOPD-SFHVURJKSA-N 0 0 322.449 2.383 10 30 DEEERN C=CC[C@H]1CCN(CC(=O)Nc2ccsc2C(=O)OC)C1 ZINC000599526794 359516590 /nfs/dbraw/zinc/51/65/90/359516590.db2.gz SPUGYUUCMPXZKR-NSHDSACASA-N 0 0 308.403 2.371 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2C(=O)OC)C1 ZINC000599375368 359482841 /nfs/dbraw/zinc/48/28/41/359482841.db2.gz TYBOMDJLVVXDMQ-CYBMUJFWSA-N 0 0 323.414 2.368 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCc2occc2[C@H]1C(=O)OCC ZINC000600250893 359703055 /nfs/dbraw/zinc/70/30/55/359703055.db2.gz QUCHWJCDXCELBH-DOMZBBRYSA-N 0 0 321.373 2.250 10 30 DEEERN C=CC[C@@H](C(=O)N1CC[C@](OC)(C(=O)OC)C1)c1ccccc1 ZINC000600294268 359714295 /nfs/dbraw/zinc/71/42/95/359714295.db2.gz MJAJYRUHJSWLJU-CRAIPNDOSA-N 0 0 317.385 2.137 10 30 DEEERN C=CCC[C@@H](C(=O)N[C@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000188173710 200204040 /nfs/dbraw/zinc/20/40/40/200204040.db2.gz 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/nfs/dbraw/zinc/89/35/41/359893541.db2.gz FNHSPJGWJKFWDA-KCPJHIHWSA-N 0 0 319.357 2.157 10 30 DEEERN CC(=O)N1CCCN(c2ncc(C#N)c3ccsc32)CC1 ZINC000601101039 359919643 /nfs/dbraw/zinc/91/96/43/359919643.db2.gz KPEVYPRNBQQOJB-UHFFFAOYSA-N 0 0 300.387 2.227 10 30 DEEERN C=CCN(CCC#N)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601168175 359950794 /nfs/dbraw/zinc/95/07/94/359950794.db2.gz QVASCOPSXCVAKC-UHFFFAOYSA-N 0 0 303.244 2.253 10 30 DEEERN C=C(C)C[C@H](NS(=O)(=O)c1ccc(Cl)s1)C(=O)OC ZINC000601502348 360055522 /nfs/dbraw/zinc/05/55/22/360055522.db2.gz OENGWBARVBSAQX-QMMMGPOBSA-N 0 0 323.823 2.188 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCc1nc2ccccc2o1)C(=O)OC ZINC000601770312 360140360 /nfs/dbraw/zinc/14/03/60/360140360.db2.gz BZYFZDWNPJRIGT-ZDUSSCGKSA-N 0 0 316.357 2.384 10 30 DEEERN C=C(C)C[C@@H](NC(=O)COc1ccc(OCC)cc1)C(=O)OC ZINC000601770146 360140513 /nfs/dbraw/zinc/14/05/13/360140513.db2.gz AKPQINLTJSFDMQ-OAHLLOKOSA-N 0 0 321.373 2.088 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C(=O)OC ZINC000601776982 360143656 /nfs/dbraw/zinc/14/36/56/360143656.db2.gz DHSFSVWSQDDGRD-TZMCWYRMSA-N 0 0 323.776 2.268 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@H](CC(=C)C)C(=O)OC)cc1 ZINC000601780341 360144525 /nfs/dbraw/zinc/14/45/25/360144525.db2.gz BDRXVCMBUMMWDZ-MRXNPFEDSA-N 0 0 317.385 2.418 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc2nc(C)n(C)c2c1)C(=O)OC ZINC000601780853 360145595 /nfs/dbraw/zinc/14/55/95/360145595.db2.gz DEHOTPWVVANIMT-CQSZACIVSA-N 0 0 315.373 2.119 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H]1CSc2ccccc21)C(=O)OC ZINC000601782726 360146765 /nfs/dbraw/zinc/14/67/65/360146765.db2.gz RRZJFFHIXUPYQT-QWHCGFSZSA-N 0 0 305.399 2.500 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CNc1ccccc1Cl)C(=O)OC ZINC000601784650 360147913 /nfs/dbraw/zinc/14/79/13/360147913.db2.gz GBLXUSIMZKWPTO-CYBMUJFWSA-N 0 0 310.781 2.376 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1CCN(C)c2ccccc21)C(=O)OC ZINC000601783330 360147988 /nfs/dbraw/zinc/14/79/88/360147988.db2.gz 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/nfs/dbraw/zinc/19/86/07/360198607.db2.gz DDPLJJPLCOAWOK-NSHDSACASA-N 0 0 304.346 2.183 10 30 DEEERN C=CCC[C@H](NC(=O)C1(c2cc(C)no2)CC1)C(=O)OCC ZINC000602159489 360291741 /nfs/dbraw/zinc/29/17/41/360291741.db2.gz HUUWPHIQQVKPFT-LBPRGKRZSA-N 0 0 306.362 2.029 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1CCC[C@H](SC)C1 ZINC000602252068 360323650 /nfs/dbraw/zinc/32/36/50/360323650.db2.gz OKFCDVNECFAKQW-OLZOCXBDSA-N 0 0 312.479 2.495 10 30 DEEERN C=CCN(CCOC)Cc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602629892 360466838 /nfs/dbraw/zinc/46/68/38/360466838.db2.gz LDAIVWFKZWYANH-UHFFFAOYSA-N 0 0 309.410 2.010 10 30 DEEERN N#Cc1ccc(CNCc2cnc(N3CCCC3)nc2)c(F)c1 ZINC000609239783 361291703 /nfs/dbraw/zinc/29/17/03/361291703.db2.gz AQEGQJQEMCGGBI-UHFFFAOYSA-N 0 0 311.364 2.377 10 30 DEEERN Cc1cc(NC(=O)Cn2ncc3ccccc32)n(CCC#N)n1 ZINC000609327217 361301787 /nfs/dbraw/zinc/30/17/87/361301787.db2.gz SGLQSNMLHNVZRF-UHFFFAOYSA-N 0 0 308.345 2.094 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000628038198 366698895 /nfs/dbraw/zinc/69/88/95/366698895.db2.gz XPGXJMNOXXGPCT-RRFJBIMHSA-N 0 0 318.421 2.179 10 30 DEEERN Cc1cc(CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)[nH]n1 ZINC000609594984 361325244 /nfs/dbraw/zinc/32/52/44/361325244.db2.gz KODXCPRNFAWHEP-MRXNPFEDSA-N 0 0 312.373 2.310 10 30 DEEERN CN(Cc1cnccn1)C(=O)c1cc2ccccc2n1CC#N ZINC000609795474 361339270 /nfs/dbraw/zinc/33/92/70/361339270.db2.gz BNKYFRWJPNRSJU-UHFFFAOYSA-N 0 0 305.341 2.227 10 30 DEEERN COCCN(CCC#N)Cc1noc(-c2ccc(OC)cc2)n1 ZINC000610392084 361392808 /nfs/dbraw/zinc/39/28/08/361392808.db2.gz HCYAHLLOGZYTJL-UHFFFAOYSA-N 0 0 316.361 2.107 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1ccc(-n2nnnc2C)cc1F ZINC000628312969 366806031 /nfs/dbraw/zinc/80/60/31/366806031.db2.gz WHGNCIXZGDCLTM-UHFFFAOYSA-N 0 0 317.368 2.442 10 30 DEEERN C=CC(C)(C)CCNC(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000628314309 366806076 /nfs/dbraw/zinc/80/60/76/366806076.db2.gz VPHFSDYZHZFXSL-UHFFFAOYSA-N 0 0 310.344 2.413 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000628317483 366807911 /nfs/dbraw/zinc/80/79/11/366807911.db2.gz MAROFJCIDOWORL-NXEZZACHSA-N 0 0 306.328 2.162 10 30 DEEERN C=CCCO[C@H](C)C(=O)NC[C@@H](n1cccn1)C(F)(F)F ZINC000628333107 366816699 /nfs/dbraw/zinc/81/66/99/366816699.db2.gz NBLDEGRQHJVZRW-GHMZBOCLSA-N 0 0 305.300 2.084 10 30 DEEERN CCOC(=O)c1ccc(CNC(=O)Cc2cccc(C#N)c2)o1 ZINC000610599943 361430284 /nfs/dbraw/zinc/43/02/84/361430284.db2.gz WKTBZBHSTGILJA-UHFFFAOYSA-N 0 0 312.325 2.187 10 30 DEEERN O=C(NCC#CCOc1cccnc1)c1ccc2cc[nH]c2c1 ZINC000090742240 192927476 /nfs/dbraw/zinc/92/74/76/192927476.db2.gz RLPREMTXCFUCLQ-UHFFFAOYSA-N 0 0 305.337 2.375 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NCc1c(C(F)(F)F)cnn1C ZINC000628357377 366826279 /nfs/dbraw/zinc/82/62/79/366826279.db2.gz VDZXKTGAHXCBNM-VIFPVBQESA-N 0 0 305.300 2.036 10 30 DEEERN CN(C)c1nc(CNC(=O)N2CCC(C)(C#N)CC2)cs1 ZINC000611544597 361626627 /nfs/dbraw/zinc/62/66/27/361626627.db2.gz DVFJHQUCAVTIJI-UHFFFAOYSA-N 0 0 307.423 2.044 10 30 DEEERN COc1ccc(COCC(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000611561272 361631889 /nfs/dbraw/zinc/63/18/89/361631889.db2.gz GLJKIGHAXXXRKT-UHFFFAOYSA-N 0 0 302.374 2.364 10 30 DEEERN COC(=O)C(C)(C)[C@H](NC(=O)NC[C@H](C)C#N)c1ccccc1 ZINC000611627235 361648542 /nfs/dbraw/zinc/64/85/42/361648542.db2.gz IIVYZSJUCQVICG-TZMCWYRMSA-N 0 0 317.389 2.386 10 30 DEEERN C=CCCCN(C)c1nnc(-c2cc[nH]n2)n1C[C@@H]1CCCO1 ZINC000611903382 361703341 /nfs/dbraw/zinc/70/33/41/361703341.db2.gz VNDQFIFKJSJWDX-ZDUSSCGKSA-N 0 0 316.409 2.250 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC(C)(C)C(C)(C)O ZINC000611926890 361705868 /nfs/dbraw/zinc/70/58/68/361705868.db2.gz QQFRJACOBUVMDJ-ZIAGYGMSSA-N 0 0 324.465 2.151 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CCC[C@H]1OCC ZINC000611928791 361706905 /nfs/dbraw/zinc/70/69/05/361706905.db2.gz MQHSWGMIPRIBDZ-ZJIFWQFVSA-N 0 0 322.449 2.311 10 30 DEEERN Cn1cc(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)nn1 ZINC000611944397 361709357 /nfs/dbraw/zinc/70/93/57/361709357.db2.gz IZLQMJGDVIZLGY-UHFFFAOYSA-N 0 0 324.266 2.027 10 30 DEEERN Cn1ccnc1C[C@@H](NC(=O)NCC1(C#N)CC1)c1ccccc1 ZINC000619529924 363818893 /nfs/dbraw/zinc/81/88/93/363818893.db2.gz XNDSIRNJTDCVDB-OAHLLOKOSA-N 0 0 323.400 2.307 10 30 DEEERN N#CC1CCC(CNC(=O)CNC(=O)Nc2ccccc2)CC1 ZINC000619664023 363851234 /nfs/dbraw/zinc/85/12/34/363851234.db2.gz BHFSJCYZCCDIRB-UHFFFAOYSA-N 0 0 314.389 2.254 10 30 DEEERN C=CCOCCNC(=O)Nc1cc(F)c(C(=O)OC)c(F)c1 ZINC000619804883 363878995 /nfs/dbraw/zinc/87/89/95/363878995.db2.gz DUHADUNYWXUTQS-UHFFFAOYSA-N 0 0 314.288 2.076 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c2ccccc2n(C)c1=O ZINC000620314099 364014152 /nfs/dbraw/zinc/01/41/52/364014152.db2.gz SNHDGHDWLILXBQ-OKILXGFUSA-N 0 0 311.385 2.050 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccn2cc(C)nc2c1 ZINC000620648141 364110462 /nfs/dbraw/zinc/11/04/62/364110462.db2.gz VNKWMKNLJTTYJA-AWEZNQCLSA-N 0 0 300.362 2.052 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)C1 ZINC000628484821 366864226 /nfs/dbraw/zinc/86/42/26/366864226.db2.gz VSWLRYKDCXAFML-ZDUSSCGKSA-N 0 0 323.396 2.381 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Cn2c3ccccc3n(CC)c2=O)C1 ZINC000628483966 366864261 /nfs/dbraw/zinc/86/42/61/366864261.db2.gz AZIBVCDHBGMEAU-CQSZACIVSA-N 0 0 313.401 2.248 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)NCCCc2ccccc2)C1 ZINC000628487476 366865355 /nfs/dbraw/zinc/86/53/55/366865355.db2.gz GIDYEVJRYZCZGT-INIZCTEOSA-N 0 0 300.402 2.160 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2nc(-c3cnn(C)c3)oc2C)C1 ZINC000628488470 366865553 /nfs/dbraw/zinc/86/55/53/366865553.db2.gz AFZCYGBNUSMZOJ-GFCCVEGCSA-N 0 0 300.362 2.422 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CC(CC4CC4)C3)cc2C1=O ZINC000622252729 364726317 /nfs/dbraw/zinc/72/63/17/364726317.db2.gz BMYWDFQDPSYFGE-UHFFFAOYSA-N 0 0 324.380 2.341 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC2(CCCC2)OC[C@@H]1C ZINC000622969564 364844914 /nfs/dbraw/zinc/84/49/14/364844914.db2.gz MAMMHRUXGUMZJV-DZGCQCFKSA-N 0 0 308.422 2.017 10 30 DEEERN C=CCNC(=O)Nc1ccc(NC(=O)COCC(F)F)cc1 ZINC000623658837 365120359 /nfs/dbraw/zinc/12/03/59/365120359.db2.gz BNMQQKLEMGJJJQ-UHFFFAOYSA-N 0 0 313.304 2.214 10 30 DEEERN CCO[C@H](C)c1nc(CN(C)C(=O)Nc2ncnn2C)cs1 ZINC000091186518 193016184 /nfs/dbraw/zinc/01/61/84/193016184.db2.gz PTBSMUNYNZXYKB-SECBINFHSA-N 0 0 324.410 2.047 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCCNC(=O)c1ccccc1F ZINC000623781367 365173653 /nfs/dbraw/zinc/17/36/53/365173653.db2.gz OLZBRQCWFOLOMN-UHFFFAOYSA-N 0 0 321.396 2.457 10 30 DEEERN C=CCC[C@@H](NC(=O)NC[C@H]1COCCN1C)c1ccccc1 ZINC000623785671 365175450 /nfs/dbraw/zinc/17/54/50/365175450.db2.gz CEAGXPRGQNAMJK-DLBZAZTESA-N 0 0 317.433 2.324 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)C1 ZINC000624076852 365276934 /nfs/dbraw/zinc/27/69/34/365276934.db2.gz GJBWFRCQGKIOSE-LTIDMASMSA-N 0 0 319.449 2.241 10 30 DEEERN CSC1(C#N)CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000091475977 193061538 /nfs/dbraw/zinc/06/15/38/193061538.db2.gz OADBWJNGVMCBFV-UHFFFAOYSA-N 0 0 305.359 2.456 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O ZINC000624460394 365428301 /nfs/dbraw/zinc/42/83/01/365428301.db2.gz WZLUZJZGTBIHGC-AWEZNQCLSA-N 0 0 315.417 2.476 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000624464141 365430047 /nfs/dbraw/zinc/43/00/47/365430047.db2.gz NGGNEIQJSKLFEE-UHFFFAOYSA-N 0 0 324.469 2.424 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000624465511 365431397 /nfs/dbraw/zinc/43/13/97/365431397.db2.gz SUUGPEJHCKVELD-QWHCGFSZSA-N 0 0 316.467 2.244 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000628768581 366963273 /nfs/dbraw/zinc/96/32/73/366963273.db2.gz HETKNOLMWNZYBD-QLFBSQMISA-N 0 0 315.348 2.346 10 30 DEEERN C=C[C@](C)(O)CC(=O)Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C ZINC000629515846 367232205 /nfs/dbraw/zinc/23/22/05/367232205.db2.gz VNLYFOLTQIENFO-GTNSWQLSSA-N 0 0 302.374 2.422 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cccc(OCC(F)F)n2)C1=O ZINC000630518842 367702792 /nfs/dbraw/zinc/70/27/92/367702792.db2.gz FMQILFPGORLVRT-VIFPVBQESA-N 0 0 311.288 2.117 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cccc(-c3noc(C)n3)c2)C1=O ZINC000630506192 367695040 /nfs/dbraw/zinc/69/50/40/367695040.db2.gz VZARUHXXZBETPX-ZDUSSCGKSA-N 0 0 312.329 2.436 10 30 DEEERN N#CCc1ccc(S(=O)(=O)NCc2ccccc2F)cc1 ZINC000092131009 193166123 /nfs/dbraw/zinc/16/61/23/193166123.db2.gz DAPPNGJODSSMKK-UHFFFAOYSA-N 0 0 304.346 2.370 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccccc2Cn2ccnc2)C1=O ZINC000630965245 367940513 /nfs/dbraw/zinc/94/05/13/367940513.db2.gz OYLBILPLICIBPN-INIZCTEOSA-N 0 0 324.384 2.318 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCCCO3)C1=O ZINC000630968258 367941707 /nfs/dbraw/zinc/94/17/07/367941707.db2.gz CXEQHYNLCVLBAM-CYBMUJFWSA-N 0 0 316.357 2.235 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2CCN(c3ccc(F)cc3)C2)C1=O ZINC000630983333 367949357 /nfs/dbraw/zinc/94/93/57/367949357.db2.gz AFLQDUTYIGUMFH-HUUCEWRRSA-N 0 0 317.364 2.291 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H](c2ccc(OC)nc2)C2CC2)C1=O ZINC000630986808 367952192 /nfs/dbraw/zinc/95/21/92/367952192.db2.gz SWNOTXPQKKFANG-HIFRSBDPSA-N 0 0 315.373 2.428 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)C1=O ZINC000630987358 367953074 /nfs/dbraw/zinc/95/30/74/367953074.db2.gz OSXZUGCISSUJJP-BYNSBNAKSA-N 0 0 300.333 2.350 10 30 DEEERN C=CCn1c(C)nnc1SCC(=O)N(CC)CC(F)(F)F ZINC000631003793 367961809 /nfs/dbraw/zinc/96/18/09/367961809.db2.gz PBZWOFRBDFIVOH-UHFFFAOYSA-N 0 0 322.356 2.275 10 30 DEEERN CCC[C@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)OC ZINC000452296256 244121728 /nfs/dbraw/zinc/12/17/28/244121728.db2.gz JKNYJNIKXZVVMZ-WBMJQRKESA-N 0 0 312.410 2.179 10 30 DEEERN C=C(C)CCNC(=O)c1cnn2cc(Br)cnc12 ZINC000452717545 244539917 /nfs/dbraw/zinc/53/99/17/244539917.db2.gz LTHVBJOBMUTTCL-UHFFFAOYSA-N 0 0 309.167 2.188 10 30 DEEERN C=CC[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000093432408 193249785 /nfs/dbraw/zinc/24/97/85/193249785.db2.gz ZQLICSMNNYXKMX-UHFFFAOYSA-N 0 0 302.252 2.118 10 30 DEEERN CN[C@@]1(C#N)CCC[C@@H]1CCSc1nnc(N(C)C)s1 ZINC000093581562 193270440 /nfs/dbraw/zinc/27/04/40/193270440.db2.gz HAFIMPSFSUQFOE-ZWNOBZJWSA-N 0 0 311.480 2.368 10 30 DEEERN Cc1cccnc1CNC(=O)c1csc(C#CCCO)c1 ZINC000093975113 193332571 /nfs/dbraw/zinc/33/25/71/193332571.db2.gz KYXUVECRSSYPCI-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN CC1(C)CCCC[C@H]1NS(=O)(=O)c1ccc(C#N)cc1N ZINC000094322168 193359266 /nfs/dbraw/zinc/35/92/66/193359266.db2.gz MWIIIAJJHPYGJW-CQSZACIVSA-N 0 0 307.419 2.388 10 30 DEEERN CCN(C[C@H](C)C#N)c1nc(C(F)(F)F)ccc1C(N)=O ZINC000094334732 193360334 /nfs/dbraw/zinc/36/03/34/193360334.db2.gz CXURPJGKPZMYAI-MRVPVSSYSA-N 0 0 300.284 2.185 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)C[NH2+][C@](C)(CC)C(=O)[O-] ZINC000094228588 193352298 /nfs/dbraw/zinc/35/22/98/193352298.db2.gz OTVCSJYAJNKWOF-OAHLLOKOSA-N 0 0 310.419 2.106 10 30 DEEERN OCC#Cc1ccccc1O[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000094408382 193367949 /nfs/dbraw/zinc/36/79/49/193367949.db2.gz GEBJWBPRGYDKMU-WBVHZDCISA-N 0 0 304.411 2.464 10 30 DEEERN C#CCN1C(=O)N=C(N)[C@@H]1c1ccc(Br)cc1F ZINC000094517040 193376692 /nfs/dbraw/zinc/37/66/92/193376692.db2.gz KNDZAXAPEXWFQE-JTQLQIEISA-N 0 0 310.126 2.055 10 30 DEEERN Cc1cc(C(=O)N[C@@H](C)c2nccs2)sc1C#CCO ZINC000094535620 193377092 /nfs/dbraw/zinc/37/70/92/193377092.db2.gz OMIWSHMMJUXGDH-JTQLQIEISA-N 0 0 306.412 2.348 10 30 DEEERN Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)sc1C#CCCO ZINC000094533726 193377192 /nfs/dbraw/zinc/37/71/92/193377192.db2.gz RFKCQZAMMJGPHK-STQMWFEESA-N 0 0 307.415 2.088 10 30 DEEERN CCN(C[C@@H]1CCCO1)C(=O)c1cc(C)c(C#CCO)s1 ZINC000094534267 193377479 /nfs/dbraw/zinc/37/74/79/193377479.db2.gz INRDPQFPNPIJDG-ZDUSSCGKSA-N 0 0 307.415 2.041 10 30 DEEERN Cc1cc(C(=O)N[C@@H](C)c2ccncc2)sc1C#CCO ZINC000094533701 193377726 /nfs/dbraw/zinc/37/77/26/193377726.db2.gz MWLOZTDLZMYJLP-LBPRGKRZSA-N 0 0 300.383 2.286 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)c1cccc(C(F)(F)F)c1NN ZINC000094599586 193383344 /nfs/dbraw/zinc/38/33/44/193383344.db2.gz YPKBMMFYPRDDCP-MRVPVSSYSA-N 0 0 300.284 2.365 10 30 DEEERN Cc1c(Cl)cncc1NC(=O)C(=O)N1CCC(C)(C#N)CC1 ZINC000453698104 245259467 /nfs/dbraw/zinc/25/94/67/245259467.db2.gz IZGZPQKVEZKBOK-UHFFFAOYSA-N 0 0 320.780 2.134 10 30 DEEERN C=C1CCN(C(=O)[C@@H]2CSCN2C(=O)C2CCCC2)CC1 ZINC000264537041 203982699 /nfs/dbraw/zinc/98/26/99/203982699.db2.gz GQOCMJUTQBESMH-AWEZNQCLSA-N 0 0 308.447 2.257 10 30 DEEERN C=CCN1c2ccc(NC(=O)[C@H]3CCCO3)cc2O[C@H](C)C1=O ZINC000012120559 181730709 /nfs/dbraw/zinc/73/07/09/181730709.db2.gz SDMAZXJTOBLLRH-BXUZGUMPSA-N 0 0 316.357 2.104 10 30 DEEERN C#CCOc1ccccc1NC(=O)N1CCN(CC(F)F)CC1 ZINC000274890467 212012964 /nfs/dbraw/zinc/01/29/64/212012964.db2.gz ZVOZJPQAVRLUTP-UHFFFAOYSA-N 0 0 323.343 2.113 10 30 DEEERN C=CCN(CC=C)C(=O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271705447 209139804 /nfs/dbraw/zinc/13/98/04/209139804.db2.gz ICHUYJNRMOJNNB-ZDUSSCGKSA-N 0 0 303.362 2.446 10 30 DEEERN C=CCCCN(C)C(=O)Cc1cccc(S(=O)(=O)CC)c1 ZINC000160219472 197393169 /nfs/dbraw/zinc/39/31/69/197393169.db2.gz JIVSBHHAMRCVGB-UHFFFAOYSA-N 0 0 309.431 2.447 10 30 DEEERN N#Cc1ccc(Cl)cc1NC(=O)c1cc[nH]c(=NN)c1F ZINC000097876884 193764860 /nfs/dbraw/zinc/76/48/60/193764860.db2.gz QHDLZMHHOSBFBS-UHFFFAOYSA-N 0 0 305.700 2.284 10 30 DEEERN C=CCCCNC(=O)N(CCOC)Cc1c(C)nn(C)c1C ZINC000454876199 246217389 /nfs/dbraw/zinc/21/73/89/246217389.db2.gz OWTZCZWRDWYQNJ-UHFFFAOYSA-N 0 0 308.426 2.161 10 30 DEEERN N#Cc1ncn(-c2ncc(Cl)cc2Br)c1C#N ZINC000159882366 197370704 /nfs/dbraw/zinc/37/07/04/197370704.db2.gz XQSJQFZKBRIYST-UHFFFAOYSA-N 0 0 308.526 2.427 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCCc2c(OCC(N)=O)cccc21 ZINC000456237861 247035444 /nfs/dbraw/zinc/03/54/44/247035444.db2.gz JZDLYQFJRUJPGH-CYBMUJFWSA-N 0 0 316.401 2.432 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@H]2COCC2(C)C)cc1OC ZINC000456522219 247247380 /nfs/dbraw/zinc/24/73/80/247247380.db2.gz QMLYAERJAHZDML-HNNXBMFYSA-N 0 0 305.374 2.415 10 30 DEEERN C=C(CC)CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000456815254 247440150 /nfs/dbraw/zinc/44/01/50/247440150.db2.gz XHQFGCKMZPFHDR-NVXWUHKLSA-N 0 0 316.401 2.297 10 30 DEEERN CCOC(=O)N1CCN(/C=C\C(=O)c2ccc(C)cc2)CC1 ZINC000035679023 182785597 /nfs/dbraw/zinc/78/55/97/182785597.db2.gz QIFYWSQNBKIGCL-HJWRWDBZSA-N 0 0 302.374 2.466 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@@H]1C[C@]1(C)c1ccccc1OC ZINC000458413877 248297166 /nfs/dbraw/zinc/29/71/66/248297166.db2.gz CKSOWDUJAZEFDT-MZMPZRCHSA-N 0 0 318.417 2.352 10 30 DEEERN COCCNc1oc(-c2ccc(OC)c(OC)c2)nc1C#N ZINC000039841438 183022342 /nfs/dbraw/zinc/02/23/42/183022342.db2.gz DEMIPCPIDODTSJ-UHFFFAOYSA-N 0 0 303.318 2.289 10 30 DEEERN N#CC1(NS(=O)(=O)c2sccc2Br)CCC1 ZINC000042524786 183280506 /nfs/dbraw/zinc/28/05/06/183280506.db2.gz RRWOFVJUAMRFMD-UHFFFAOYSA-N 0 0 321.221 2.235 10 30 DEEERN CN(C(=O)c1ccc(C#CCCO)c(F)c1)[C@@H]1CCSC1 ZINC000043581940 183373439 /nfs/dbraw/zinc/37/34/39/183373439.db2.gz CFBQTJVKFKNYJT-CQSZACIVSA-N 0 0 307.390 2.137 10 30 DEEERN CCN(CC(F)(F)F)C(=O)c1ccc(C#CCO)c(F)c1 ZINC000043582416 183373520 /nfs/dbraw/zinc/37/35/20/183373520.db2.gz MNRNAPMEYSNXKR-UHFFFAOYSA-N 0 0 303.255 2.194 10 30 DEEERN C=CCNC(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 ZINC000044035983 183393261 /nfs/dbraw/zinc/39/32/61/183393261.db2.gz XLSCGOUOXJGVIO-UHFFFAOYSA-N 0 0 315.295 2.215 10 30 DEEERN C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1c1ccc(F)cc1C#N ZINC000284493559 218051896 /nfs/dbraw/zinc/05/18/96/218051896.db2.gz GOLVHFTWGVXQCO-UAGQMJEPSA-N 0 0 304.365 2.454 10 30 DEEERN COC[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)CC(C)(C)O1 ZINC000284878665 218217694 /nfs/dbraw/zinc/21/76/94/218217694.db2.gz GINQTXUYVKBUCN-HNNXBMFYSA-N 0 0 315.417 2.462 10 30 DEEERN Cc1nsc(NC[C@@H]2CCO[C@H]2c2ccnn2C)c1C#N ZINC000285015776 218257938 /nfs/dbraw/zinc/25/79/38/218257938.db2.gz MOKHJVSAVRQBRW-GXFFZTMASA-N 0 0 303.391 2.246 10 30 DEEERN C=C(Br)CN1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000105921506 194171135 /nfs/dbraw/zinc/17/11/35/194171135.db2.gz PFYQTJXPWPPWER-CYBMUJFWSA-N 0 0 314.227 2.109 10 30 DEEERN C[C@@H]1OCC[C@H]1N(C)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000159414881 197352260 /nfs/dbraw/zinc/35/22/60/197352260.db2.gz VYHGVLJGGWPFAV-JOYOIKCWSA-N 0 0 314.794 2.010 10 30 DEEERN CC[C@@H](C)[C@H](C)NS(=O)(=O)c1ccc(C#CCCO)cc1 ZINC000049106129 183713404 /nfs/dbraw/zinc/71/34/04/183713404.db2.gz FCGVUCWWVXYDMJ-KGLIPLIRSA-N 0 0 309.431 2.133 10 30 DEEERN C[C@H](NS(=O)(=O)c1cccs1)c1ccc(C#CCO)cc1 ZINC000049590816 183744437 /nfs/dbraw/zinc/74/44/37/183744437.db2.gz WKLLNRLWGVAKSC-LBPRGKRZSA-N 0 0 321.423 2.131 10 30 DEEERN O=C(NCc1cccc(C#CCCO)c1)c1cc(Cl)c[nH]1 ZINC000049589298 183744759 /nfs/dbraw/zinc/74/47/59/183744759.db2.gz OOTUYUCMDFSMLT-UHFFFAOYSA-N 0 0 302.761 2.332 10 30 DEEERN N#CCOc1ccc(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000110227342 194317222 /nfs/dbraw/zinc/31/72/22/194317222.db2.gz LEAQTUSDQTYGGM-IAGOWNOFSA-N 0 0 314.385 2.301 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)[C@@H](OC)c1ccccc1F ZINC000273423130 210761261 /nfs/dbraw/zinc/76/12/61/210761261.db2.gz SDHZGMPQXCZKJY-YWPYICTPSA-N 0 0 310.369 2.138 10 30 DEEERN N#Cc1cc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)ccc1F ZINC000110909128 194369056 /nfs/dbraw/zinc/36/90/56/194369056.db2.gz NFNZJOIQVDPWJX-DMDPSCGWSA-N 0 0 308.378 2.412 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000273366402 210713814 /nfs/dbraw/zinc/71/38/14/210713814.db2.gz WYKWQHJQJJGBSZ-VIFPVBQESA-N 0 0 300.261 2.067 10 30 DEEERN C#CCOC[C@H]1CCCN(C(=O)c2cccc(OC)c2OC)C1 ZINC000056923036 184021854 /nfs/dbraw/zinc/02/18/54/184021854.db2.gz OEWUPCMCKVKVJU-AWEZNQCLSA-N 0 0 317.385 2.206 10 30 DEEERN N#CC1CCN(C(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000057990723 184065682 /nfs/dbraw/zinc/06/56/82/184065682.db2.gz SQEUQXXBBJKFFX-UHFFFAOYSA-N 0 0 309.373 2.317 10 30 DEEERN C[C@H](NC(=O)c1cncc(C#CCCO)c1)c1ccsc1 ZINC000061371704 184169784 /nfs/dbraw/zinc/16/97/84/184169784.db2.gz CBVHBNCNQWPVCL-LBPRGKRZSA-N 0 0 300.383 2.368 10 30 DEEERN OCC#Cc1csc(CSc2nnc3ccccn32)c1 ZINC000061407661 184170315 /nfs/dbraw/zinc/17/03/15/184170315.db2.gz VZPGRHVBCFXWIZ-UHFFFAOYSA-N 0 0 301.396 2.427 10 30 DEEERN O=C(Nc1ccc(Cl)cn1)c1ccc(C#CCCO)cn1 ZINC000061861651 184190092 /nfs/dbraw/zinc/19/00/92/184190092.db2.gz ABJJVTHYISGDQM-UHFFFAOYSA-N 0 0 301.733 2.116 10 30 DEEERN COc1ccc([C@H](CCO)NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000535662733 284902732 /nfs/dbraw/zinc/90/27/32/284902732.db2.gz UONADDGZKCYHIG-SFHVURJKSA-N 0 0 324.380 2.349 10 30 DEEERN CN(C(=O)c1cc(Cl)nc(NN)c1)c1ccc(C#N)cc1 ZINC000061949826 184198449 /nfs/dbraw/zinc/19/84/49/184198449.db2.gz VBZJKRKOQBXGAY-UHFFFAOYSA-N 0 0 301.737 2.169 10 30 DEEERN CN(c1ccc(C#N)cc1)S(=O)(=O)c1cnc(Cl)s1 ZINC000061980149 184200143 /nfs/dbraw/zinc/20/01/43/184200143.db2.gz FGTXLZYWAHSGBZ-UHFFFAOYSA-N 0 0 313.791 2.493 10 30 DEEERN C=CCNC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C ZINC000062062250 184203837 /nfs/dbraw/zinc/20/38/37/184203837.db2.gz CNRHGDCSNALKAX-UHFFFAOYSA-N 0 0 300.314 2.223 10 30 DEEERN C[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(C#N)c1 ZINC000062189471 184217879 /nfs/dbraw/zinc/21/78/79/184217879.db2.gz XHJQHICCYYDTSX-ZDUSSCGKSA-N 0 0 300.383 2.468 10 30 DEEERN CS(=O)(=O)c1ccc(Sc2ncc(N)cc2C#N)cc1 ZINC000063130986 184272229 /nfs/dbraw/zinc/27/22/29/184272229.db2.gz KCVQMDWJOGJAOC-UHFFFAOYSA-N 0 0 305.384 2.090 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)CNC(=O)CCC ZINC000064863330 184305389 /nfs/dbraw/zinc/30/53/89/184305389.db2.gz LHYLGGALNNISRE-UHFFFAOYSA-N 0 0 304.390 2.126 10 30 DEEERN CC#CCCNc1cnn(CC2CC2)c(=O)c1Br ZINC000158985478 197315747 /nfs/dbraw/zinc/31/57/47/197315747.db2.gz UGQOBHSJOIPFNC-UHFFFAOYSA-N 0 0 310.195 2.241 10 30 DEEERN C=C(C)COc1ccccc1-c1cc(C(=O)N(C)C)nc(N)n1 ZINC000066138807 184392180 /nfs/dbraw/zinc/39/21/80/184392180.db2.gz FGORQMUHEOCKED-UHFFFAOYSA-N 0 0 312.373 2.383 10 30 DEEERN COC1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000048665562 207353679 /nfs/dbraw/zinc/35/36/79/207353679.db2.gz DSKHNRNODAIHML-UHFFFAOYSA-N 0 0 314.794 2.011 10 30 DEEERN C[C@H]1CCOCCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000373485573 300007952 /nfs/dbraw/zinc/00/79/52/300007952.db2.gz QVEVRJUPBOKCPK-JTQLQIEISA-N 0 0 314.794 2.011 10 30 DEEERN CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000407958623 285049558 /nfs/dbraw/zinc/04/95/58/285049558.db2.gz RCXRWRPQLBEIAU-SYQHCUMBSA-N 0 0 301.456 2.079 10 30 DEEERN C=C(C)[C@H](CC(=O)Nc1cc(-c2nccn2C)[nH]n1)OCC ZINC000270097346 208155285 /nfs/dbraw/zinc/15/52/85/208155285.db2.gz IFNRUSLJRDEZSZ-LBPRGKRZSA-N 0 0 303.366 2.120 10 30 DEEERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C#Cc1ccccc1 ZINC000245415961 533074427 /nfs/dbraw/zinc/07/44/27/533074427.db2.gz HEYXQDAUXTXDGE-ZACQAIPSSA-N 0 0 311.381 2.371 10 30 DEEERN CCc1cc(C#CCO)ccc1NC(=O)NCC(F)(F)F ZINC000158099062 197243726 /nfs/dbraw/zinc/24/37/26/197243726.db2.gz QZDDUAJHYVVNIA-UHFFFAOYSA-N 0 0 300.280 2.277 10 30 DEEERN CC[C@H]1CN(C(=O)c2ccc(C#CCO)c(C)c2)CCS1 ZINC000157976466 197232497 /nfs/dbraw/zinc/23/24/97/197232497.db2.gz GWWYDHJHUOXRHJ-INIZCTEOSA-N 0 0 303.427 2.306 10 30 DEEERN CC[C@H](CSC)N(C)S(=O)(=O)Cc1ccccc1C#N ZINC000157969536 197231493 /nfs/dbraw/zinc/23/14/93/197231493.db2.gz CBIQURFDQHYHLU-CQSZACIVSA-N 0 0 312.460 2.461 10 30 DEEERN N#C[C@@]1([C@H](O)c2csc3ccccc32)CCS(=O)(=O)C1 ZINC000157648217 197205108 /nfs/dbraw/zinc/20/51/08/197205108.db2.gz WWBJATCSZSTNGR-KGLIPLIRSA-N 0 0 307.396 2.263 10 30 DEEERN C=CCn1ncc(N[C@@H](C)COCC)c(Br)c1=O ZINC000157092195 197161391 /nfs/dbraw/zinc/16/13/91/197161391.db2.gz GQCHYQRKUYJHDS-VIFPVBQESA-N 0 0 316.199 2.029 10 30 DEEERN Cc1cccc(S(=O)(=O)NCCc2ccsc2)c1C#N ZINC000156407557 197110745 /nfs/dbraw/zinc/11/07/45/197110745.db2.gz GLUDAOKVPGGITI-UHFFFAOYSA-N 0 0 306.412 2.449 10 30 DEEERN COC(=O)[C@@]12CCC[C@@H]1CN(c1ccc(Cl)c(C#N)n1)C2 ZINC000302185463 533153607 /nfs/dbraw/zinc/15/36/07/533153607.db2.gz PEMVPRMTYINKKI-MEBBXXQBSA-N 0 0 305.765 2.386 10 30 DEEERN COC(=O)[C@@]12CCC[C@@H]1CN(c1ccc([N+](=O)[O-])cc1C#N)C2 ZINC000302129801 533154076 /nfs/dbraw/zinc/15/40/76/533154076.db2.gz BOYNHSRURRHHHI-MLGOLLRUSA-N 0 0 315.329 2.246 10 30 DEEERN CCN(CCc1nccs1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000155371052 197049096 /nfs/dbraw/zinc/04/90/96/197049096.db2.gz PITOAVKFJYSKHZ-UHFFFAOYSA-N 0 0 321.427 2.268 10 30 DEEERN CSC[C@H]1CCCN1C(=O)NCCOc1ccc(C#N)cc1 ZINC000120804604 195240790 /nfs/dbraw/zinc/24/07/90/195240790.db2.gz PPMHMIYVSAJKFB-CQSZACIVSA-N 0 0 319.430 2.474 10 30 DEEERN C#CCSCCNC(=O)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000271567666 209019437 /nfs/dbraw/zinc/01/94/37/209019437.db2.gz PDMZBLIASGGOEW-ZDUSSCGKSA-N 0 0 312.822 2.039 10 30 DEEERN CO[C@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@H]1Cc1cccnc1 ZINC000503717680 257208449 /nfs/dbraw/zinc/20/84/49/257208449.db2.gz URIJKPUHRWMJRA-ROUUACIJSA-N 0 0 321.380 2.425 10 30 DEEERN N#CC1(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)CCCC1 ZINC000121985427 195387067 /nfs/dbraw/zinc/38/70/67/195387067.db2.gz KUZZMLGUUZNSQO-UHFFFAOYSA-N 0 0 324.384 2.198 10 30 DEEERN CCCN(CC(=O)NC)c1cc(Br)ccc1C#N ZINC000123186328 195553801 /nfs/dbraw/zinc/55/38/01/195553801.db2.gz ZIWWSVYTUHPJNW-UHFFFAOYSA-N 0 0 310.195 2.283 10 30 DEEERN N#Cc1ncccc1C[S@@](=O)c1ccc2c(c1)OCCO2 ZINC000124334485 195630475 /nfs/dbraw/zinc/63/04/75/195630475.db2.gz BFWJDESMKDTERH-NRFANRHFSA-N 0 0 300.339 2.032 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(N)ccc1Br ZINC000128317117 195954369 /nfs/dbraw/zinc/95/43/69/195954369.db2.gz SMKVNKAKNFKGHS-PELKAZGASA-N 0 0 308.179 2.453 10 30 DEEERN C#C[C@H](NC(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1)C(C)C ZINC000491706294 533323662 /nfs/dbraw/zinc/32/36/62/533323662.db2.gz DQMZJRYFUYVDIN-KBPBESRZSA-N 0 0 308.422 2.408 10 30 DEEERN COc1cccc(C[C@H](C)NC(=O)N2CC[C@H](C)[C@@H]2CO)c1 ZINC000331297729 533544102 /nfs/dbraw/zinc/54/41/02/533544102.db2.gz URAOAQFPESWGLR-XEZPLFJOSA-N 0 0 306.406 2.243 10 30 DEEERN C[C@@H](C(=O)Nc1c(F)cccc1NC1CC1)n1cnc(C#N)n1 ZINC000546685619 285516593 /nfs/dbraw/zinc/51/65/93/285516593.db2.gz AADFBHUFBIKIOQ-VIFPVBQESA-N 0 0 314.324 2.063 10 30 DEEERN C[C@@H]1CCC[C@H](CCNS(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000227119076 132551154 /nfs/dbraw/zinc/55/11/54/132551154.db2.gz QMQIRNZJHMYSJB-CHWSQXEVSA-N 0 0 307.419 2.448 10 30 DEEERN OCCSCC#Cc1c[nH]c2cncc(Br)c12 ZINC000725245063 542769685 /nfs/dbraw/zinc/76/96/85/542769685.db2.gz FEJGTVQUHJOCSI-UHFFFAOYSA-N 0 0 311.204 2.402 10 30 DEEERN COCCOCc1ccc(CNC(=O)c2ccc(C#N)o2)cc1 ZINC000357945526 133111210 /nfs/dbraw/zinc/11/12/10/133111210.db2.gz PIIKYROUEZFHPU-UHFFFAOYSA-N 0 0 314.341 2.244 10 30 DEEERN N#Cc1ccc(C(F)(F)F)nc1NC[C@@H](O)COCC1CC1 ZINC000360279373 133172956 /nfs/dbraw/zinc/17/29/56/133172956.db2.gz OWIDRHKYYNUSEX-LLVKDONJSA-N 0 0 315.295 2.171 10 30 DEEERN CC(C)[C@H](C)CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000172578637 144824747 /nfs/dbraw/zinc/82/47/47/144824747.db2.gz RFBGVEKTCGFSDE-GFCCVEGCSA-N 0 0 311.389 2.348 10 30 DEEERN N#Cc1csc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)c1 ZINC000189777608 145033854 /nfs/dbraw/zinc/03/38/54/145033854.db2.gz ZTYDVLQXTWNTMI-UHFFFAOYSA-N 0 0 323.381 2.377 10 30 DEEERN N#Cc1ccc(COc2ccc(OCC(N)=O)cc2)cc1F ZINC000190089574 145037613 /nfs/dbraw/zinc/03/76/13/145037613.db2.gz UNFLDPDYMBJLBY-UHFFFAOYSA-N 0 0 300.289 2.140 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1sccc1C#N ZINC000249369335 145183049 /nfs/dbraw/zinc/18/30/49/145183049.db2.gz OVIGZQZIEMEFKP-TUAOUCFPSA-N 0 0 304.371 2.033 10 30 DEEERN Cc1ccnc(C2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)n1 ZINC000374931585 148307470 /nfs/dbraw/zinc/30/74/70/148307470.db2.gz UCYXNOGVQFHDND-UHFFFAOYSA-N 0 0 324.344 2.344 10 30 DEEERN Cc1oc(C#N)cc1C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375555321 148385932 /nfs/dbraw/zinc/38/59/32/148385932.db2.gz XKZSTEPOLXULFZ-NSHDSACASA-N 0 0 312.329 2.350 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](CO)c1ccccc1 ZINC000127191089 401724341 /nfs/dbraw/zinc/72/43/41/401724341.db2.gz WQZMDWACDRGOKF-YOEHRIQHSA-N 0 0 324.380 2.218 10 30 DEEERN CC(C)Nc1ncnc2c1ncn2C[C@H](O)c1ccc(C#N)cc1 ZINC000127521008 401738216 /nfs/dbraw/zinc/73/82/16/401738216.db2.gz LARKFPDQYBAWCQ-AWEZNQCLSA-N 0 0 322.372 2.252 10 30 DEEERN CC(C)[C@@H](C)NC(=O)C1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000112560100 401749257 /nfs/dbraw/zinc/74/92/57/401749257.db2.gz KAEJSYIAJVSMOJ-CABCVRRESA-N 0 0 304.438 2.303 10 30 DEEERN CN1CC[C@@H](NC(=O)C(C)(C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000127675129 401745063 /nfs/dbraw/zinc/74/50/63/401745063.db2.gz WZXCSCCDJQNNRF-ZIAGYGMSSA-N 0 0 307.344 2.376 10 30 DEEERN COc1ccccc1NC1CCN(c2cnc(C#N)cn2)CC1 ZINC000126679537 401704511 /nfs/dbraw/zinc/70/45/11/401704511.db2.gz BQRLFLVQYDXONH-UHFFFAOYSA-N 0 0 309.373 2.438 10 30 DEEERN C=CCCCN(C)C(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000076650166 401798769 /nfs/dbraw/zinc/79/87/69/401798769.db2.gz JAAMPEXIGABDRX-UHFFFAOYSA-N 0 0 314.389 2.107 10 30 DEEERN N#Cc1cnc(N2CCC(Nc3cccnn3)CC2)c(Cl)c1 ZINC000114709487 401806767 /nfs/dbraw/zinc/80/67/67/401806767.db2.gz YLQJPYYFAQXEHL-UHFFFAOYSA-N 0 0 314.780 2.478 10 30 DEEERN N#CCCCCS(=O)(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114741984 401808938 /nfs/dbraw/zinc/80/89/38/401808938.db2.gz PEFMYZZEJQLEDE-LBPRGKRZSA-N 0 0 313.448 2.346 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CC(=O)N(C)c2ccccc21 ZINC000128025078 401759645 /nfs/dbraw/zinc/75/96/45/401759645.db2.gz AJPKILOQCQQGTG-UHFFFAOYSA-N 0 0 305.337 2.490 10 30 DEEERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(C)C1(C#N)CCC1 ZINC000112879860 401760764 /nfs/dbraw/zinc/76/07/64/401760764.db2.gz SUZNGCMSXJCIBX-GFCCVEGCSA-N 0 0 300.362 2.101 10 30 DEEERN COC(=O)CC[C@@H](Cc1ccccc1)Nc1cnc(C#N)cn1 ZINC000128685342 401788201 /nfs/dbraw/zinc/78/82/01/401788201.db2.gz DILUTJAYNXQHLR-AWEZNQCLSA-N 0 0 310.357 2.325 10 30 DEEERN CN(CC(=O)Nc1cc(Cl)ccc1C#N)C[C@@H]1CCCO1 ZINC000076299296 401789640 /nfs/dbraw/zinc/78/96/40/401789640.db2.gz OKIHTJFEONRLSQ-ZDUSSCGKSA-N 0 0 307.781 2.261 10 30 DEEERN N#CC1(NC(=O)c2cn(Cc3cccc(F)c3)nn2)CCCC1 ZINC000128740993 401789762 /nfs/dbraw/zinc/78/97/62/401789762.db2.gz BBIGIARTVYUBCI-UHFFFAOYSA-N 0 0 313.336 2.032 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)CCc3ccccc3O)C2)cc1 ZINC000130731788 401837707 /nfs/dbraw/zinc/83/77/07/401837707.db2.gz NXCGNMGBTGPYIG-UHFFFAOYSA-N 0 0 322.364 2.486 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000117287386 401872659 /nfs/dbraw/zinc/87/26/59/401872659.db2.gz YZDPVRDRSZVVLP-OAHLLOKOSA-N 0 0 318.417 2.044 10 30 DEEERN N#CCCn1ccc(NC(=O)c2coc(Br)c2)n1 ZINC000117716479 401882317 /nfs/dbraw/zinc/88/23/17/401882317.db2.gz BIVKFHOQWLQQGK-UHFFFAOYSA-N 0 0 309.123 2.405 10 30 DEEERN CN(Cc1nccs1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000080707036 401891635 /nfs/dbraw/zinc/89/16/35/401891635.db2.gz IPCZNXUGMMCYJN-UHFFFAOYSA-N 0 0 316.386 2.235 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCCCc1nc2ccccc2n1C ZINC000081763972 401897943 /nfs/dbraw/zinc/89/79/43/401897943.db2.gz DKQRMKSEFSTHIG-UHFFFAOYSA-N 0 0 321.384 2.146 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCCc3n[nH]cc32)cc1 ZINC000134683709 401910944 /nfs/dbraw/zinc/91/09/44/401910944.db2.gz RXKVUPRJVBQNSL-AWEZNQCLSA-N 0 0 324.384 2.384 10 30 DEEERN CCOC(=O)CC[C@@H](C)NC(=O)NCc1cc(C#N)ccc1F ZINC000089902837 401972663 /nfs/dbraw/zinc/97/26/63/401972663.db2.gz YINZVNTZDSLHFH-LLVKDONJSA-N 0 0 321.352 2.228 10 30 DEEERN CCC[C@@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CCO1 ZINC000120156339 401980653 /nfs/dbraw/zinc/98/06/53/401980653.db2.gz SBNCIOBWBGEWOP-MRXNPFEDSA-N 0 0 317.389 2.148 10 30 DEEERN O=C(ON1C(=O)CCC1=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000145732976 401991548 /nfs/dbraw/zinc/99/15/48/401991548.db2.gz QPVZCYNJSZSASF-CQSZACIVSA-N 0 0 316.357 2.284 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ncn(-c2ccccc2)n1 ZINC000092284649 402003741 /nfs/dbraw/zinc/00/37/41/402003741.db2.gz AFTWCLQUHBOGFY-UHFFFAOYSA-N 0 0 310.279 2.458 10 30 DEEERN C=CCn1nnnc1SCc1ccn(-c2ccc(F)cc2)n1 ZINC000150917347 402005025 /nfs/dbraw/zinc/00/50/25/402005025.db2.gz HFRNBHAAIFNGHQ-UHFFFAOYSA-N 0 0 316.365 2.476 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000122463907 402079734 /nfs/dbraw/zinc/07/97/34/402079734.db2.gz JPHDHFIGUQALAU-UHFFFAOYSA-N 0 0 314.363 2.190 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCOCC12CCC2 ZINC000152214368 402082879 /nfs/dbraw/zinc/08/28/79/402082879.db2.gz TWBCXROUERWOJC-ZDUSSCGKSA-N 0 0 300.358 2.107 10 30 DEEERN C=CCCOCCNC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000122559392 402084417 /nfs/dbraw/zinc/08/44/17/402084417.db2.gz NGEGZGHLTSCLIZ-OAHLLOKOSA-N 0 0 306.410 2.131 10 30 DEEERN CC(C)(C#N)C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000152728716 402105948 /nfs/dbraw/zinc/10/59/48/402105948.db2.gz ZFDMNMJJHQXJTF-UHFFFAOYSA-N 0 0 313.401 2.205 10 30 DEEERN CC[C@@H](C#N)NC(=O)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000123690377 402141777 /nfs/dbraw/zinc/14/17/77/402141777.db2.gz XGYLOYUZFKUFSN-BLLLJJGKSA-N 0 0 309.410 2.442 10 30 DEEERN COC1=CC(=CNc2ccc(N3CCOCC3)cc2)C=CC1=O ZINC000100380469 402140925 /nfs/dbraw/zinc/14/09/25/402140925.db2.gz UBMKIYTUGGQMMS-YPKPFQOOSA-N 0 0 312.369 2.488 10 30 DEEERN Cc1nnc(CN2CCN(c3ccccc3C#N)CC2)n1C1CC1 ZINC000101554239 402148243 /nfs/dbraw/zinc/14/82/43/402148243.db2.gz KHEVXCHVUNZSQY-UHFFFAOYSA-N 0 0 322.416 2.115 10 30 DEEERN CN(CC(=O)Nc1ccccc1SCC#N)C[C@H]1CCCO1 ZINC000103480772 402190807 /nfs/dbraw/zinc/19/08/07/402190807.db2.gz PKEZTAJORBPZBK-CYBMUJFWSA-N 0 0 319.430 2.352 10 30 DEEERN CCCC(=O)NCC(=O)N(CCC#N)c1ccc(OCC)cc1 ZINC000103959621 402195446 /nfs/dbraw/zinc/19/54/46/402195446.db2.gz ABNBYHVMZQKGDK-UHFFFAOYSA-N 0 0 317.389 2.248 10 30 DEEERN C#CCSCCNC(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000153738314 402167141 /nfs/dbraw/zinc/16/71/41/402167141.db2.gz TYIUTHIDHKRFPO-AWEZNQCLSA-N 0 0 317.458 2.276 10 30 DEEERN C[C@H](CC(=O)c1cccs1)NC(=O)c1cc(C#N)cn1C ZINC000125195588 402218235 /nfs/dbraw/zinc/21/82/35/402218235.db2.gz MKKIDRWBKYSDEN-SNVBAGLBSA-N 0 0 301.371 2.350 10 30 DEEERN C[C@@H](CC(=O)c1cccs1)NC(=O)c1cc(C#N)cn1C ZINC000125195375 402218483 /nfs/dbraw/zinc/21/84/83/402218483.db2.gz MKKIDRWBKYSDEN-JTQLQIEISA-N 0 0 301.371 2.350 10 30 DEEERN C=CCCO[C@H](C)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000125275215 402222875 /nfs/dbraw/zinc/22/28/75/402222875.db2.gz QXGJMFSIFCRWGC-KFWWJZLASA-N 0 0 313.463 2.481 10 30 DEEERN N#C[C@H](NC(=O)COc1ccccc1Br)C1CC1 ZINC000154725097 402228365 /nfs/dbraw/zinc/22/83/65/402228365.db2.gz MHQGCAIMBYIKAB-NSHDSACASA-N 0 0 309.163 2.246 10 30 DEEERN CCOc1cc(C#N)ccc1OCc1nsc(N(C)C)n1 ZINC000125382871 402229183 /nfs/dbraw/zinc/22/91/83/402229183.db2.gz DKQSXNNKSLYPAI-UHFFFAOYSA-N 0 0 304.375 2.453 10 30 DEEERN N#CC1(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CCCC1 ZINC000069703138 402239933 /nfs/dbraw/zinc/23/99/33/402239933.db2.gz ZEZLHRCECBDCOK-AWEZNQCLSA-N 0 0 319.311 2.410 10 30 DEEERN C=CCNC(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000069718354 402240531 /nfs/dbraw/zinc/24/05/31/402240531.db2.gz XXZWGIKLXCZSDR-LBPRGKRZSA-N 0 0 301.350 2.314 10 30 DEEERN C[C@H](Nc1cnc(C#N)cn1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000125727195 402247123 /nfs/dbraw/zinc/24/71/23/402247123.db2.gz XLDYUAVUWCLYBL-VIFPVBQESA-N 0 0 320.349 2.064 10 30 DEEERN Cc1ccc(N2CCC[C@@H](Nc3nnc(C)c(C)c3C#N)C2)nn1 ZINC000069874110 402248457 /nfs/dbraw/zinc/24/84/57/402248457.db2.gz VSJIKAQNFPCXKJ-CQSZACIVSA-N 0 0 323.404 2.144 10 30 DEEERN C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CNC(=O)C1 ZINC000108240075 402248613 /nfs/dbraw/zinc/24/86/13/402248613.db2.gz CPJOXWVYPFZNCL-WDEREUQCSA-N 0 0 303.387 2.013 10 30 DEEERN CC(C)[C@H](C)NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000070690351 402262909 /nfs/dbraw/zinc/26/29/09/402262909.db2.gz GXVZSUMZPZEBGI-ZDUSSCGKSA-N 0 0 317.389 2.468 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCOCC ZINC000068884209 402208480 /nfs/dbraw/zinc/20/84/80/402208480.db2.gz YMLXOYNQRCBFSG-UHFFFAOYSA-N 0 0 307.350 2.329 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000155622723 402263087 /nfs/dbraw/zinc/26/30/87/402263087.db2.gz WVXHUMMTLNPMQH-UONOGXRCSA-N 0 0 314.389 2.426 10 30 DEEERN COc1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1Br ZINC000070976082 402267918 /nfs/dbraw/zinc/26/79/18/402267918.db2.gz AEXCXFVZURSYHJ-NSHDSACASA-N 0 0 309.163 2.490 10 30 DEEERN CCN(C[C@H]1CCN(c2cnc(C#N)cn2)C1)CC(F)(F)F ZINC000126273990 402272342 /nfs/dbraw/zinc/27/23/42/402272342.db2.gz AHYLKGROZJQGPI-LLVKDONJSA-N 0 0 313.327 2.059 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000184967415 402313529 /nfs/dbraw/zinc/31/35/29/402313529.db2.gz PXSBTACMEGASSX-KGLIPLIRSA-N 0 0 306.362 2.217 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000185008384 402316896 /nfs/dbraw/zinc/31/68/96/402316896.db2.gz YBMLWKUVOQYCDK-GFCCVEGCSA-N 0 0 310.419 2.444 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(Br)cn1 ZINC000176549465 402318817 /nfs/dbraw/zinc/31/88/17/402318817.db2.gz VNSASSCGGBPGBV-UHFFFAOYSA-N 0 0 305.135 2.307 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2)s1 ZINC000230338622 402350720 /nfs/dbraw/zinc/35/07/20/402350720.db2.gz YQCPLEXHPPQZCQ-QWHCGFSZSA-N 0 0 304.396 2.454 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000185901197 402387499 /nfs/dbraw/zinc/38/74/99/402387499.db2.gz GCBLSFJJKHWJBT-QWRGUYRKSA-N 0 0 310.375 2.129 10 30 DEEERN Cn1nccc1CCC(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000185754800 402374225 /nfs/dbraw/zinc/37/42/25/402374225.db2.gz SYBWFGYVERBIQW-SFHVURJKSA-N 0 0 310.401 2.384 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 ZINC000185761914 402374822 /nfs/dbraw/zinc/37/48/22/402374822.db2.gz XQCOXBSIYAMGDZ-RYUDHWBXSA-N 0 0 319.430 2.410 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCc1ccc(Br)cc1 ZINC000185771550 402375396 /nfs/dbraw/zinc/37/53/96/402375396.db2.gz KJHXRTVVGLOISH-CYBMUJFWSA-N 0 0 312.207 2.435 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000161242198 402379068 /nfs/dbraw/zinc/37/90/68/402379068.db2.gz WDQHNKZYULXJDN-UHFFFAOYSA-N 0 0 317.352 2.377 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1 ZINC000185822644 402380082 /nfs/dbraw/zinc/38/00/82/402380082.db2.gz JOKFDPYLRHZUEV-ZDUSSCGKSA-N 0 0 318.352 2.378 10 30 DEEERN C[C@@H](CSCCOc1cccc(C#N)c1)CS(C)(=O)=O ZINC000159727703 402329201 /nfs/dbraw/zinc/32/92/01/402329201.db2.gz UZZLMXNJTYDRBE-LBPRGKRZSA-N 0 0 313.444 2.351 10 30 DEEERN CN(CCCNC(=O)c1cc(C#N)cn1C)c1ccccc1F ZINC000176810180 402339264 /nfs/dbraw/zinc/33/92/64/402339264.db2.gz GLAUWVGLDYMCPE-UHFFFAOYSA-N 0 0 314.364 2.292 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000186041254 402398160 /nfs/dbraw/zinc/39/81/60/402398160.db2.gz ZGXKMXGOFJUQAB-ZFWWWQNUSA-N 0 0 301.390 2.296 10 30 DEEERN COC(=O)[C@@H](C)Sc1ccccc1C(=O)N[C@@H](C#N)C1CC1 ZINC000161866038 402401705 /nfs/dbraw/zinc/40/17/05/402401705.db2.gz VGIVWESSOXHURR-MFKMUULPSA-N 0 0 318.398 2.372 10 30 DEEERN Cc1cccc(NC(=O)CSCC(=O)N[C@H](C#N)C2CC2)c1 ZINC000161889755 402403037 /nfs/dbraw/zinc/40/30/37/402403037.db2.gz FZYNQBZWCFLKLH-CQSZACIVSA-N 0 0 317.414 2.085 10 30 DEEERN N#CCSc1cccc(C(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000177596915 402418962 /nfs/dbraw/zinc/41/89/62/402418962.db2.gz WFNFXQCJSZFRMT-ZDUSSCGKSA-N 0 0 313.386 2.159 10 30 DEEERN COc1cccc(-c2nnn(Cc3ccc(OC)c(C#N)c3)n2)c1 ZINC000162716535 402429651 /nfs/dbraw/zinc/42/96/51/402429651.db2.gz HOWGLYCTBDXDML-UHFFFAOYSA-N 0 0 321.340 2.277 10 30 DEEERN C=CC[C@@H](C(=O)NC[C@]1(CCO)CCOC1)c1ccccc1 ZINC000186548851 402441133 /nfs/dbraw/zinc/44/11/33/402441133.db2.gz ZXAPCLUHXWTDPY-AEFFLSMTSA-N 0 0 303.402 2.252 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000186655268 402452344 /nfs/dbraw/zinc/45/23/44/402452344.db2.gz HHQRJZIFRUIXCY-SNVBAGLBSA-N 0 0 303.449 2.261 10 30 DEEERN Cc1nc(C(=O)N2CCC[C@H](Cc3nccn3C)C2)ccc1C#N ZINC000178286533 402479637 /nfs/dbraw/zinc/47/96/37/402479637.db2.gz FOWCSJNUQUJDBA-CQSZACIVSA-N 0 0 323.400 2.090 10 30 DEEERN CCO[C@H]1C[C@@H](NC(=O)c2sccc2C#N)C12CCOCC2 ZINC000187160104 402486054 /nfs/dbraw/zinc/48/60/54/402486054.db2.gz KABIIZBGWMNUEF-OLZOCXBDSA-N 0 0 320.414 2.324 10 30 DEEERN C[C@H](NC(=O)c1ccc(C#N)cn1)c1ccc(-n2cncn2)cc1 ZINC000170968802 402545964 /nfs/dbraw/zinc/54/59/64/402545964.db2.gz GDEQXDOACNCJND-LBPRGKRZSA-N 0 0 318.340 2.025 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)NCCCc1ccccn1 ZINC000178914356 402554378 /nfs/dbraw/zinc/55/43/78/402554378.db2.gz PJQQOSGUWVPOJH-UHFFFAOYSA-N 0 0 315.398 2.173 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NCc1cccnc1-n1ccnc1 ZINC000189776454 402558160 /nfs/dbraw/zinc/55/81/60/402558160.db2.gz GUIMTSJTKCKWIY-QGZVFWFLSA-N 0 0 314.389 2.112 10 30 DEEERN C=CCCS(=O)(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000247239059 402560975 /nfs/dbraw/zinc/56/09/75/402560975.db2.gz YUMSGILXTOBRJR-WFASDCNBSA-N 0 0 313.394 2.493 10 30 DEEERN COCc1cccc(CC(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000188264472 402518202 /nfs/dbraw/zinc/51/82/02/402518202.db2.gz OWGVGUPEPHSCJJ-UHFFFAOYSA-N 0 0 324.380 2.442 10 30 DEEERN Cc1cc(NC(=O)[C@H](C#N)c2nccn2Cc2ccccc2)no1 ZINC000179460132 402591031 /nfs/dbraw/zinc/59/10/31/402591031.db2.gz SBWFLXCTSMRVSF-CQSZACIVSA-N 0 0 321.340 2.474 10 30 DEEERN C#CCCCCC(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000180062264 402606091 /nfs/dbraw/zinc/60/60/91/402606091.db2.gz FCXGMHOKRHAUEU-UHFFFAOYSA-N 0 0 316.449 2.131 10 30 DEEERN C[C@H](C#N)CNC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000171844936 402627993 /nfs/dbraw/zinc/62/79/93/402627993.db2.gz ROTFPIXMDFFXLH-SSDOTTSWSA-N 0 0 307.151 2.215 10 30 DEEERN N#C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CCS2)C1CC1 ZINC000171725211 402614888 /nfs/dbraw/zinc/61/48/88/402614888.db2.gz VQNCDIAXWPMFSR-LBPRGKRZSA-N 0 0 301.371 2.153 10 30 DEEERN N#CCc1cccc(C(=O)N2CCO[C@@H](c3nccs3)C2)c1 ZINC000171854094 402629184 /nfs/dbraw/zinc/62/91/84/402629184.db2.gz CWNRYEBKRXXGJG-CQSZACIVSA-N 0 0 313.382 2.423 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000181373960 402643619 /nfs/dbraw/zinc/64/36/19/402643619.db2.gz MQIWKBPNJOTUHL-LSDHHAIUSA-N 0 0 319.453 2.433 10 30 DEEERN COC(=O)C[C@@H]1CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181574707 402650421 /nfs/dbraw/zinc/65/04/21/402650421.db2.gz JCQPQNUFJFNFSV-HNNXBMFYSA-N 0 0 312.369 2.409 10 30 DEEERN Cc1cc(C)n([C@@H](C)C(=O)NCCOc2ccc(C#N)cc2)n1 ZINC000173885025 402717092 /nfs/dbraw/zinc/71/70/92/402717092.db2.gz AZQGFTMHODWLBT-AWEZNQCLSA-N 0 0 312.373 2.128 10 30 DEEERN COC(=O)[C@@]1(C)CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000181914632 402660572 /nfs/dbraw/zinc/66/05/72/402660572.db2.gz HJCIORVSZHWXLE-KRWDZBQOSA-N 0 0 312.369 2.267 10 30 DEEERN CCc1nn(C[C@@H](O)CC2CCCC2)c(=O)c(C#N)c1CC ZINC000191343076 402662699 /nfs/dbraw/zinc/66/26/99/402662699.db2.gz NCZFUUJIEYWQPE-ZDUSSCGKSA-N 0 0 303.406 2.181 10 30 DEEERN O=S(=O)(NN=Cc1cccc(O)c1)c1ccc(Cl)cc1 ZINC000254721981 402671357 /nfs/dbraw/zinc/67/13/57/402671357.db2.gz STNUMHXGJGCRDG-UHFFFAOYSA-N 0 0 310.762 2.358 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1coc(-c2cccs2)n1 ZINC000182827034 402719818 /nfs/dbraw/zinc/71/98/18/402719818.db2.gz SSGNZBHJDUGDNG-JTQLQIEISA-N 0 0 307.375 2.139 10 30 DEEERN N#C[C@H]1COCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000173127680 402686155 /nfs/dbraw/zinc/68/61/55/402686155.db2.gz QGBLMBBAJFLACR-ZDUSSCGKSA-N 0 0 300.289 2.450 10 30 DEEERN CC(C)CC[C@@](C)(O)CNC(=O)Nc1ccn(CCC#N)n1 ZINC000173375437 402694881 /nfs/dbraw/zinc/69/48/81/402694881.db2.gz NBMBAOWPPQWMSB-OAHLLOKOSA-N 0 0 307.398 2.105 10 30 DEEERN COC(=O)[C@@H](N[C@@H](CO)c1ccccc1)c1cccc(C#N)c1 ZINC000182916278 402726595 /nfs/dbraw/zinc/72/65/95/402726595.db2.gz CVSZGDFQMWEICN-IRXDYDNUSA-N 0 0 310.353 2.096 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccccc1OCC(C)C ZINC000182996357 402731994 /nfs/dbraw/zinc/73/19/94/402731994.db2.gz JBTRUVOSYVBNCI-OAHLLOKOSA-N 0 0 306.406 2.458 10 30 DEEERN C=C(C)CN(C)C(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C ZINC000183056083 402735628 /nfs/dbraw/zinc/73/56/28/402735628.db2.gz DACKYBIVAPDTLB-MRXNPFEDSA-N 0 0 318.417 2.484 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccc(NC(=O)C(C)C)cc1 ZINC000183119154 402740722 /nfs/dbraw/zinc/74/07/22/402740722.db2.gz TVPKFPPWZYGYIJ-OAHLLOKOSA-N 0 0 319.405 2.017 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC000183617882 402782089 /nfs/dbraw/zinc/78/20/89/402782089.db2.gz HSQHMJWGOMRUOR-VXGBXAGGSA-N 0 0 312.797 2.344 10 30 DEEERN CC[C@H](CC#N)NC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000183857786 402802396 /nfs/dbraw/zinc/80/23/96/402802396.db2.gz QHDWWIQNRLWYEH-SECBINFHSA-N 0 0 301.268 2.445 10 30 DEEERN COc1cc(OC)cc([C@H]2CCN(C(=O)CSCC#N)C2)c1 ZINC000175397654 402803112 /nfs/dbraw/zinc/80/31/12/402803112.db2.gz MNNVEWMCELNQMF-LBPRGKRZSA-N 0 0 320.414 2.276 10 30 DEEERN N#Cc1cc(F)ccc1NC(=O)C(=O)NCCC1CCCC1 ZINC000175950132 402843970 /nfs/dbraw/zinc/84/39/70/402843970.db2.gz UUMWVSZKWHNFRT-UHFFFAOYSA-N 0 0 303.337 2.332 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000184252567 402830828 /nfs/dbraw/zinc/83/08/28/402830828.db2.gz KSMGHALNRBGHAU-CHWSQXEVSA-N 0 0 324.446 2.374 10 30 DEEERN CC(C)c1nnc2ccc(NC(=O)c3ccnc(C#N)c3)cn21 ZINC000194085203 402783105 /nfs/dbraw/zinc/78/31/05/402783105.db2.gz GBYUHOWWJIVTKF-UHFFFAOYSA-N 0 0 306.329 2.372 10 30 DEEERN N#Cc1ccc(CN2CCS(=O)(=O)C3(CCCCC3)C2)o1 ZINC000271301009 402855136 /nfs/dbraw/zinc/85/51/36/402855136.db2.gz UILNSUSRTOUQOL-UHFFFAOYSA-N 0 0 308.403 2.085 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc2ccc(Cl)cn2n1 ZINC000278288440 402862424 /nfs/dbraw/zinc/86/24/24/402862424.db2.gz CJYSZQREZMNVMM-ZYHUDNBSSA-N 0 0 306.753 2.302 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000279015287 402895207 /nfs/dbraw/zinc/89/52/07/402895207.db2.gz IBWAZBNYIZDIOU-HTQZYQBOSA-N 0 0 323.340 2.459 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000279447038 402944225 /nfs/dbraw/zinc/94/42/25/402944225.db2.gz DVGYOKXIXXDMBV-CQSZACIVSA-N 0 0 308.447 2.279 10 30 DEEERN CC(=O)c1ccc(C#N)c(N2CCO[C@@H](Cn3cc(C)cn3)C2)c1 ZINC000272579823 402955931 /nfs/dbraw/zinc/95/59/31/402955931.db2.gz UWZBEHCCNVMYCE-QGZVFWFLSA-N 0 0 324.384 2.171 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(N2CCOC2=O)ccc1C ZINC000273485536 403009137 /nfs/dbraw/zinc/00/91/37/403009137.db2.gz NDIHAJLRYKSVJU-GFCCVEGCSA-N 0 0 319.361 2.010 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000273630510 403021430 /nfs/dbraw/zinc/02/14/30/403021430.db2.gz SIUZYEWINYNCSE-ZDUSSCGKSA-N 0 0 305.353 2.086 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCCCCC(=O)OC ZINC000281321792 403064608 /nfs/dbraw/zinc/06/46/08/403064608.db2.gz IWLSEDKRMDLXOH-UKRRQHHQSA-N 0 0 312.410 2.000 10 30 DEEERN C=CCCS(=O)(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000268913088 403121352 /nfs/dbraw/zinc/12/13/52/403121352.db2.gz ZJLXJIQUGHUWPD-AWEZNQCLSA-N 0 0 324.446 2.160 10 30 DEEERN C=C(C)Cn1c(CC2CC2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC000282812312 403160467 /nfs/dbraw/zinc/16/04/67/403160467.db2.gz IDVLGFVLDLPAGL-CQSZACIVSA-N 0 0 318.421 2.196 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccsc1Br ZINC000282885185 403162824 /nfs/dbraw/zinc/16/28/24/403162824.db2.gz WYGJJMXFDZKMPT-SECBINFHSA-N 0 0 319.224 2.247 10 30 DEEERN C=CCn1c(C)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000282245341 403136012 /nfs/dbraw/zinc/13/60/12/403136012.db2.gz KICZBWHRDBBTDR-WCQYABFASA-N 0 0 321.425 2.122 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)Cc1ccccc1 ZINC000282566424 403156411 /nfs/dbraw/zinc/15/64/11/403156411.db2.gz KEEZKYNHCNKZDO-HNNXBMFYSA-N 0 0 314.389 2.188 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000277465630 403220476 /nfs/dbraw/zinc/22/04/76/403220476.db2.gz MYAVDGZSCRSAGL-CQSZACIVSA-N 0 0 306.369 2.107 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCOC[C@@H]2C)cc1 ZINC000277495602 403223562 /nfs/dbraw/zinc/22/35/62/403223562.db2.gz NQWKRXJATJUUGI-SWLSCSKDSA-N 0 0 317.389 2.149 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCN(c2ccccc2OC)CC1 ZINC000277505337 403224801 /nfs/dbraw/zinc/22/48/01/403224801.db2.gz PRQFFFPQWFJEGI-UHFFFAOYSA-N 0 0 310.397 2.007 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NS(=O)(=O)N1CCCCCC1 ZINC000285438383 403296819 /nfs/dbraw/zinc/29/68/19/403296819.db2.gz XJPYGTWFTHEEQB-QGZVFWFLSA-N 0 0 320.458 2.331 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N1CCC[C@@H]1c1csc(C)n1 ZINC000297983935 403298335 /nfs/dbraw/zinc/29/83/35/403298335.db2.gz YBUQBGXGXBOKTE-CYBMUJFWSA-N 0 0 307.419 2.150 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N1CCC(=O)[C@H](C)C1 ZINC000284931403 403273258 /nfs/dbraw/zinc/27/32/58/403273258.db2.gz UYTLIFXNLKIYKZ-LLVKDONJSA-N 0 0 304.321 2.281 10 30 DEEERN C#CCOc1ccc(CN(C)Cc2nc([C@H](C)OC)no2)cc1 ZINC000271241258 403282711 /nfs/dbraw/zinc/28/27/11/403282711.db2.gz YSHYHCNICPJLHZ-ZDUSSCGKSA-N 0 0 315.373 2.421 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC000293118119 403392040 /nfs/dbraw/zinc/39/20/40/403392040.db2.gz DCWPWPYKFSBGGR-OAHLLOKOSA-N 0 0 310.401 2.398 10 30 DEEERN C=CCOc1cccc(NC(=O)N2CC[C@H](C(=O)OC)C2)c1 ZINC000299181235 403543040 /nfs/dbraw/zinc/54/30/40/403543040.db2.gz SGLZAXZEGRJUCG-LBPRGKRZSA-N 0 0 304.346 2.278 10 30 DEEERN C=CCOc1cccc(NC(=O)N2CC[C@@H](C(=O)OC)C2)c1 ZINC000299181233 403543154 /nfs/dbraw/zinc/54/31/54/403543154.db2.gz SGLZAXZEGRJUCG-GFCCVEGCSA-N 0 0 304.346 2.278 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000286776348 403546475 /nfs/dbraw/zinc/54/64/75/403546475.db2.gz QNHMITVMOCPAAP-UAGQMJEPSA-N 0 0 300.402 2.488 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](COC)C1CC1 ZINC000286816846 403546913 /nfs/dbraw/zinc/54/69/13/403546913.db2.gz URGVHUMVKGEOCP-SJORKVTESA-N 0 0 300.402 2.345 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCCC(=O)OCC ZINC000286326659 403500415 /nfs/dbraw/zinc/50/04/15/403500415.db2.gz AKGMDLJHHCJUQI-MRXNPFEDSA-N 0 0 316.401 2.264 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](CO)CC(C)C ZINC000287370262 403584904 /nfs/dbraw/zinc/58/49/04/403584904.db2.gz MJECGWWJIDBFMH-SJORKVTESA-N 0 0 302.418 2.327 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@H](CC)C1 ZINC000287435584 403599624 /nfs/dbraw/zinc/59/96/24/403599624.db2.gz PVAJLGJYZJGJTD-DLBZAZTESA-N 0 0 300.402 2.441 10 30 DEEERN Cn1ccnc1CN1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000301212959 403601862 /nfs/dbraw/zinc/60/18/62/403601862.db2.gz WFAHUYBWPDDBAQ-UHFFFAOYSA-N 0 0 315.808 2.267 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@](C)(Cc1ccccc1)[C@@H](C)O ZINC000287724675 403655317 /nfs/dbraw/zinc/65/53/17/403655317.db2.gz BKROACHQORHWBD-UZLBHIALSA-N 0 0 311.425 2.395 10 30 DEEERN COC(=O)[C@]12CCC[C@@H]1CN(c1ccc(C#N)cc1[N+](=O)[O-])C2 ZINC000302167146 403708912 /nfs/dbraw/zinc/70/89/12/403708912.db2.gz LAOHYKGXQPMZJP-WBMJQRKESA-N 0 0 315.329 2.246 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](C)c1ccncc1CC ZINC000347353669 403676586 /nfs/dbraw/zinc/67/65/86/403676586.db2.gz PMGCOQMCGVFBNP-ZDUSSCGKSA-N 0 0 303.406 2.246 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cc2c(cc1OC)CCC(=O)N2 ZINC000287847677 403678105 /nfs/dbraw/zinc/67/81/05/403678105.db2.gz LMIVVYJOSFLGME-UHFFFAOYSA-N 0 0 310.353 2.181 10 30 DEEERN C[C@@H](Nc1ncc(Br)cc1C#N)c1ncn(C)n1 ZINC000295124580 403767009 /nfs/dbraw/zinc/76/70/09/403767009.db2.gz XHYBQRVJDBCFRT-SSDOTTSWSA-N 0 0 307.155 2.017 10 30 DEEERN N#Cc1cccnc1N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000302738604 403719275 /nfs/dbraw/zinc/71/92/75/403719275.db2.gz QENCEDXHPMAZAZ-HNNXBMFYSA-N 0 0 310.332 2.305 10 30 DEEERN C#CCC(CC#C)C(=O)NCCc1cc(C(F)(F)F)ccn1 ZINC000294792124 403734542 /nfs/dbraw/zinc/73/45/42/403734542.db2.gz SVQQPVFCBXUXBC-UHFFFAOYSA-N 0 0 308.303 2.422 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc2c(c1)N(C(N)=O)CCC2 ZINC000288534371 403757515 /nfs/dbraw/zinc/75/75/15/403757515.db2.gz UDPVAQHBPKTTCL-UHFFFAOYSA-N 0 0 309.369 2.119 10 30 DEEERN Cc1c(I)c(-c2ccccn2)nn1CC#N ZINC000409443579 403826991 /nfs/dbraw/zinc/82/69/91/403826991.db2.gz PVULCTNMXFHMPL-UHFFFAOYSA-N 0 0 324.125 2.382 10 30 DEEERN C=C(C)C[C@@H](C)c1nc(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000289087029 403829265 /nfs/dbraw/zinc/82/92/65/403829265.db2.gz NLNPPYMNEDIJNM-UPJWGTAASA-N 0 0 307.394 2.318 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cccc(Cl)c1C(=O)OC ZINC000411487712 403870632 /nfs/dbraw/zinc/87/06/32/403870632.db2.gz WSIQXOPRTPLXGA-UHFFFAOYSA-N 0 0 324.764 2.148 10 30 DEEERN Cc1cc(N(C)S(=O)(=O)c2ccc(F)c(C#N)c2)ccn1 ZINC000361809528 403878812 /nfs/dbraw/zinc/87/88/12/403878812.db2.gz PLJRNOJDVWNMHZ-UHFFFAOYSA-N 0 0 305.334 2.226 10 30 DEEERN C=CCOc1ccccc1CNC(=O)Nc1cn(C)nc1OC ZINC000354714264 403963203 /nfs/dbraw/zinc/96/32/03/403963203.db2.gz RAWWXEBYQCBGBC-UHFFFAOYSA-N 0 0 316.361 2.315 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C(=O)NCC)cc1 ZINC000362545216 403963626 /nfs/dbraw/zinc/96/36/26/403963626.db2.gz MJIXYDIVRJLAEF-GJZGRUSLSA-N 0 0 302.374 2.356 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCOCc1ccccc1 ZINC000336725381 403916141 /nfs/dbraw/zinc/91/61/41/403916141.db2.gz YJUZVHKEIDXIEC-HOTGVXAUSA-N 0 0 322.430 2.205 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000354653707 403930691 /nfs/dbraw/zinc/93/06/91/403930691.db2.gz NZBMKKAESUNGOX-LBPRGKRZSA-N 0 0 318.377 2.344 10 30 DEEERN C#CCN(C)C(=O)c1sccc1I ZINC000307519597 403954015 /nfs/dbraw/zinc/95/40/15/403954015.db2.gz NSEAHGNHRPYENN-UHFFFAOYSA-N 0 0 305.140 2.058 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)CC(C)(C)OC ZINC000289533829 403982488 /nfs/dbraw/zinc/98/24/88/403982488.db2.gz QPNCXLMOCLHUOR-UHFFFAOYSA-N 0 0 322.430 2.301 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)C[C@@H](C)CC(=O)OC ZINC000289514910 403982688 /nfs/dbraw/zinc/98/26/88/403982688.db2.gz CQGZTXWLGQIZFZ-GDBMZVCRSA-N 0 0 301.386 2.327 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N(CC)C[C@@H](C)CC ZINC000289859666 404003426 /nfs/dbraw/zinc/00/34/26/404003426.db2.gz YMLVUSYCBLYDFM-KBPBESRZSA-N 0 0 308.426 2.424 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CCCN(CC)C(=O)C1 ZINC000290094586 404037255 /nfs/dbraw/zinc/03/72/55/404037255.db2.gz DPUUNUDPFNXIHW-UHFFFAOYSA-N 0 0 319.453 2.111 10 30 DEEERN N#C[C@@H]1CN(C(=O)C[C@@H]2CCc3ccccc3C2)CCN1C1CC1 ZINC000363079518 404064144 /nfs/dbraw/zinc/06/41/44/404064144.db2.gz BATHKENEFZGCHI-DNVCBOLYSA-N 0 0 323.440 2.380 10 30 DEEERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H]2COc3ccccc32)C1 ZINC000328627054 404119387 /nfs/dbraw/zinc/11/93/87/404119387.db2.gz FTKPGDBLVKKYJF-ORHYLEIMSA-N 0 0 318.373 2.057 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)C[C@@H]1CCC[C@@H]1O)CCC2 ZINC000328827499 404157293 /nfs/dbraw/zinc/15/72/93/404157293.db2.gz JMZBHKQLKLAKFR-KKUMJFAQSA-N 0 0 320.437 2.076 10 30 DEEERN O=C(NC1CC1)[C@@H]1CCCN1C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328850793 404162202 /nfs/dbraw/zinc/16/22/02/404162202.db2.gz UTGUYYIPLAATHK-HZSPNIEDSA-N 0 0 307.394 2.051 10 30 DEEERN O=C(N[C@@H]1CCO[C@H]1C1CC1)N1CCc2ccccc2[C@H]1CO ZINC000328863286 404163204 /nfs/dbraw/zinc/16/32/04/404163204.db2.gz ZWPIPBGRGBRZAI-ZACQAIPSSA-N 0 0 316.401 2.060 10 30 DEEERN C=CCCCNC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000344553332 404222360 /nfs/dbraw/zinc/22/23/60/404222360.db2.gz LRBUHZDPQLNMOK-NSHDSACASA-N 0 0 308.328 2.400 10 30 DEEERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000328970636 404186680 /nfs/dbraw/zinc/18/66/80/404186680.db2.gz ONLVJAPTFAOWCG-BARDWOONSA-N 0 0 303.406 2.271 10 30 DEEERN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@@H]1CCCO1 ZINC000329104546 404231232 /nfs/dbraw/zinc/23/12/32/404231232.db2.gz GPTFTTDOUHFLFK-WOPDTQHZSA-N 0 0 307.350 2.303 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@H]2C[C@@]2(F)c2ccccc2)C1=O ZINC000412312542 404241509 /nfs/dbraw/zinc/24/15/09/404241509.db2.gz HKJZOTIBKOMSOF-RVKKMQEKSA-N 0 0 316.376 2.117 10 30 DEEERN C#CCN(C(=O)NCc1ccnc(-n2ccnc2)c1)C1CCCC1 ZINC000363960038 404268159 /nfs/dbraw/zinc/26/81/59/404268159.db2.gz KMVIUXKKZNJQJY-UHFFFAOYSA-N 0 0 323.400 2.355 10 30 DEEERN C=CCOc1ccccc1CNS(=O)(=O)CC(C)(C)OC ZINC000290871461 404346653 /nfs/dbraw/zinc/34/66/53/404346653.db2.gz YCUZNGJNPLHUJA-UHFFFAOYSA-N 0 0 313.419 2.096 10 30 DEEERN Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3[C@@H]4CCCO[C@H]34)C2)nn1 ZINC000329512202 404362082 /nfs/dbraw/zinc/36/20/82/404362082.db2.gz NLFBLSSFKCGBBG-UGQVUOCMSA-N 0 0 316.405 2.135 10 30 DEEERN C=CCCN(C)C(=O)C(=O)NCc1ccc2[nH]c(C)c(C)c2c1 ZINC000355683347 404359913 /nfs/dbraw/zinc/35/99/13/404359913.db2.gz SBYSKNKTMUSRRZ-UHFFFAOYSA-N 0 0 313.401 2.435 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N1CCO[C@@H](C2CC2)C1 ZINC000364506886 404426528 /nfs/dbraw/zinc/42/65/28/404426528.db2.gz GZNUMADAAKBMHO-MRXNPFEDSA-N 0 0 318.348 2.480 10 30 DEEERN CC(C)C[C@]1(CO)CCCN1C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000329926887 404497133 /nfs/dbraw/zinc/49/71/33/404497133.db2.gz LCUQPTHDDNBPNE-INMHGKMJSA-N 0 0 310.438 2.341 10 30 DEEERN C=CC[C@H](CO)CNC(=O)COc1ccc(/C=C/C)cc1OC ZINC000342211386 404444600 /nfs/dbraw/zinc/44/46/00/404444600.db2.gz ONPOOHUEQLIZIZ-DRDHIDPGSA-N 0 0 319.401 2.408 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@]1(C)CCC(=O)NC1 ZINC000413982449 404466320 /nfs/dbraw/zinc/46/63/20/404466320.db2.gz GEEPJVSYYGZGPZ-CRAIPNDOSA-N 0 0 300.402 2.206 10 30 DEEERN CC(C)(C(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1cccc(F)c1 ZINC000364749081 404525922 /nfs/dbraw/zinc/52/59/22/404525922.db2.gz QGCGMMXBOXHNKL-MRXNPFEDSA-N 0 0 315.392 2.302 10 30 DEEERN O=C(N[C@@H]1COc2ccccc2C1)N1CCO[C@@H](C2CC2)C1 ZINC000330186712 404578328 /nfs/dbraw/zinc/57/83/28/404578328.db2.gz SFOMGLCDQJNIED-GOEBONIOSA-N 0 0 302.374 2.015 10 30 DEEERN C=CC[C@@H]1N(C(=O)c2cc(=O)[nH]c(N(C)C)n2)CCCC1(C)C ZINC000330437206 404659315 /nfs/dbraw/zinc/65/93/15/404659315.db2.gz RNJKBAHCNODNQE-ZDUSSCGKSA-N 0 0 318.421 2.455 10 30 DEEERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000330294819 404618432 /nfs/dbraw/zinc/61/84/32/404618432.db2.gz IVPXQURSERCBEF-VHSXEESVSA-N 0 0 311.407 2.010 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O ZINC000330316757 404625531 /nfs/dbraw/zinc/62/55/31/404625531.db2.gz QBFBSUQACIVXBL-QLFBSQMISA-N 0 0 318.348 2.479 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)Cc1nsc(N(C)C)n1 ZINC000352801302 404633681 /nfs/dbraw/zinc/63/36/81/404633681.db2.gz JUTQLXPCZZNTCK-UHFFFAOYSA-N 0 0 322.434 2.268 10 30 DEEERN C=CCOc1cccc(NC(=O)N[C@@H](CCOC)COC)c1 ZINC000352944679 404700340 /nfs/dbraw/zinc/70/03/40/404700340.db2.gz RSJYQBJFJAFMRQ-AWEZNQCLSA-N 0 0 308.378 2.424 10 30 DEEERN C=CCN(CCOC)c1nnc(CCc2ccco2)n1CC ZINC000358680194 404771695 /nfs/dbraw/zinc/77/16/95/404771695.db2.gz ICUDJLJDMMLUEM-UHFFFAOYSA-N 0 0 304.394 2.315 10 30 DEEERN C=CCN(C(=O)c1ccc(-n2cnnn2)cc1Cl)C1CC1 ZINC000357944014 404748797 /nfs/dbraw/zinc/74/87/97/404748797.db2.gz HNYXEMBDHCKMOL-UHFFFAOYSA-N 0 0 303.753 2.106 10 30 DEEERN CCc1nc(C(C)(C)NC(=O)NCC(C)(C)CCC#N)no1 ZINC000358707307 404772624 /nfs/dbraw/zinc/77/26/24/404772624.db2.gz LFXKXCNXSRJJNH-UHFFFAOYSA-N 0 0 307.398 2.496 10 30 DEEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(CCOC)CCOC ZINC000358836517 404777564 /nfs/dbraw/zinc/77/75/64/404777564.db2.gz VWRBRLCRDXRWBQ-UHFFFAOYSA-N 0 0 320.393 2.213 10 30 DEEERN C=CCCOCCCCC(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000358848251 404778296 /nfs/dbraw/zinc/77/82/96/404778296.db2.gz GCMTZTVJSSOGEP-KRWDZBQOSA-N 0 0 311.422 2.157 10 30 DEEERN C=CCc1ccc(OCC(=O)NC[C@@H]2CCC[C@H]2O)c(OC)c1 ZINC000360199408 404821115 /nfs/dbraw/zinc/82/11/15/404821115.db2.gz QFJOXNIGEOBXQN-LSDHHAIUSA-N 0 0 319.401 2.080 10 30 DEEERN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)[C@H](C)C#N ZINC000360334953 404826040 /nfs/dbraw/zinc/82/60/40/404826040.db2.gz FKJWPQBYQNMVBN-RDTXWAMCSA-N 0 0 314.385 2.313 10 30 DEEERN C=C(C)CN(C)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000366994371 404892242 /nfs/dbraw/zinc/89/22/42/404892242.db2.gz BTCXTZQAGXEGGU-GDBMZVCRSA-N 0 0 315.417 2.394 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@@](C)(O)C=C ZINC000353510925 404852785 /nfs/dbraw/zinc/85/27/85/404852785.db2.gz OKZULSSSDIDDEK-INIZCTEOSA-N 0 0 304.346 2.437 10 30 DEEERN N#Cc1cc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)ccc1F ZINC000366834785 404855611 /nfs/dbraw/zinc/85/56/11/404855611.db2.gz VTRZFLHTCAJSQJ-INIZCTEOSA-N 0 0 323.327 2.233 10 30 DEEERN CC#CCCCC(=O)N1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000366886135 404863825 /nfs/dbraw/zinc/86/38/25/404863825.db2.gz SNAPBDYRSKKZHU-HNNXBMFYSA-N 0 0 316.401 2.442 10 30 DEEERN C=C(C)COc1cccc(NC(=O)N2CCO[C@@H]([C@@H](C)O)C2)c1 ZINC000416794912 404913273 /nfs/dbraw/zinc/91/32/73/404913273.db2.gz RFWPNFRBOVBSFY-CZUORRHYSA-N 0 0 320.389 2.255 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@H]1CCO[C@H](C(CC)CC)C1 ZINC000361121976 404930665 /nfs/dbraw/zinc/93/06/65/404930665.db2.gz XIOXOHYTFCNJKU-GJZGRUSLSA-N 0 0 310.438 2.169 10 30 DEEERN Cn1c(CN2CCO[C@@H](c3cccc(C#N)c3)C2)nnc1C1CC1 ZINC000367128733 404940582 /nfs/dbraw/zinc/94/05/82/404940582.db2.gz GFOVKOAXSGBYAL-MRXNPFEDSA-N 0 0 323.400 2.138 10 30 DEEERN CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccncc1C#N ZINC000367330804 405014934 /nfs/dbraw/zinc/01/49/34/405014934.db2.gz BKHOOODAXWKOGY-IBGZPJMESA-N 0 0 322.412 2.026 10 30 DEEERN C=CCOC[C@H](NC(=O)C/C=C\c1cccc(F)c1)C(=O)OC ZINC000435946676 405030823 /nfs/dbraw/zinc/03/08/23/405030823.db2.gz ZGHLNSHOVARNKN-PKYBCLHXSA-N 0 0 321.348 2.089 10 30 DEEERN Cc1cc(C)c(CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(C)c1 ZINC000367380262 405031400 /nfs/dbraw/zinc/03/14/00/405031400.db2.gz QWGJAVACWMNWIP-QGZVFWFLSA-N 0 0 311.429 2.353 10 30 DEEERN C=CCN(CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccccc1 ZINC000367240952 404978902 /nfs/dbraw/zinc/97/89/02/404978902.db2.gz OOYSCXPFVRPLBG-GOSISDBHSA-N 0 0 314.429 2.312 10 30 DEEERN CC1(C#N)CN(C(=O)[C@]2(C)CCCN2C(=O)c2ccccc2)C1 ZINC000361247661 404992353 /nfs/dbraw/zinc/99/23/53/404992353.db2.gz YNHWJVJQWUVHCY-SFHVURJKSA-N 0 0 311.385 2.053 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1cccc(N(C)C)c1 ZINC000435601466 404994577 /nfs/dbraw/zinc/99/45/77/404994577.db2.gz MVNCXAWFBLZLDB-CJNGLKHVSA-N 0 0 324.446 2.012 10 30 DEEERN N#Cc1ccc(F)cc1CN1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408041974 405096591 /nfs/dbraw/zinc/09/65/91/405096591.db2.gz FLVJDGBQKAIURC-RCCFBDPRSA-N 0 0 318.392 2.449 10 30 DEEERN C=C(C)CCNS(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000451803250 405043741 /nfs/dbraw/zinc/04/37/41/405043741.db2.gz PPZGBWICSKEWIA-UHFFFAOYSA-N 0 0 317.794 2.371 10 30 DEEERN CC#CCCNC(=O)NC1CCN(c2ccccc2OC)CC1 ZINC000361373941 405045219 /nfs/dbraw/zinc/04/52/19/405045219.db2.gz VAHXQUYHCJWNSI-UHFFFAOYSA-N 0 0 315.417 2.377 10 30 DEEERN CC(C)N1C(=O)CN(C(=O)c2ccc(F)c(C#N)c2)CC1(C)C ZINC000408023834 405091632 /nfs/dbraw/zinc/09/16/32/405091632.db2.gz WBSZRJKQTSAMMN-UHFFFAOYSA-N 0 0 317.364 2.169 10 30 DEEERN Cc1oc(NC(=O)[C@@H](C)N2CCOCC3(CC3)C2)c(C#N)c1C ZINC000408174698 405130705 /nfs/dbraw/zinc/13/07/05/405130705.db2.gz LSGCSAMSRVGJJE-GFCCVEGCSA-N 0 0 317.389 2.208 10 30 DEEERN C[C@@H]1[C@@H](C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1(F)F ZINC000408230476 405146341 /nfs/dbraw/zinc/14/63/41/405146341.db2.gz BGZRGBVINUTOIC-HONMWMINSA-N 0 0 306.312 2.359 10 30 DEEERN C=CCC1(C(=O)NC[C@H](CO)c2ccccc2)CCOCC1 ZINC000424707358 405155741 /nfs/dbraw/zinc/15/57/41/405155741.db2.gz CKUGEMKFVVYHRQ-MRXNPFEDSA-N 0 0 303.402 2.252 10 30 DEEERN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCCCCO2)c1 ZINC000408285401 405162563 /nfs/dbraw/zinc/16/25/63/405162563.db2.gz FKUPZEHYGZRQHO-UHFFFAOYSA-N 0 0 300.767 2.318 10 30 DEEERN C=CCOCCNC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000367889518 405185076 /nfs/dbraw/zinc/18/50/76/405185076.db2.gz BLWVWZYPHYXHIG-AWEZNQCLSA-N 0 0 322.792 2.012 10 30 DEEERN C[C@H]1CCN(c2cc(C#N)c3ccccc3n2)CCS1(=O)=O ZINC000408375752 405189127 /nfs/dbraw/zinc/18/91/27/405189127.db2.gz LIGADPWNKUUAIP-LBPRGKRZSA-N 0 0 315.398 2.120 10 30 DEEERN C=CCCCS(=O)(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000416646790 405206963 /nfs/dbraw/zinc/20/69/63/405206963.db2.gz MSPOUWJQSJDIJG-CQSZACIVSA-N 0 0 312.410 2.290 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1cc(OC)cc(OC)c1 ZINC000424916421 405212159 /nfs/dbraw/zinc/21/21/59/405212159.db2.gz QUHGCKLKYAIJFR-YOEHRIQHSA-N 0 0 319.401 2.344 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CC(C)C)N1CCCCC1=O ZINC000424932298 405215090 /nfs/dbraw/zinc/21/50/90/405215090.db2.gz MRUWLIIONRETGH-XHSDSOJGSA-N 0 0 322.449 2.121 10 30 DEEERN C=CCCn1cc(C(=O)N[C@]2(CO)C[C@@H](C)CC(C)(C)C2)nn1 ZINC000424772450 405173555 /nfs/dbraw/zinc/17/35/55/405173555.db2.gz DVZAHHAPDFFNKH-SUMWQHHRSA-N 0 0 320.437 2.161 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cccc2c1OCC[C@@H]2OC ZINC000439405029 405276728 /nfs/dbraw/zinc/27/67/28/405276728.db2.gz BUSAJHDWXIHODD-RISCZKNCSA-N 0 0 306.362 2.215 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CO)c1sccc1C ZINC000437939093 405224794 /nfs/dbraw/zinc/22/47/94/405224794.db2.gz ZGDXLFIKAHRDII-RDBSUJKOSA-N 0 0 324.446 2.370 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1nn(C)cc1Br ZINC000452767895 405239471 /nfs/dbraw/zinc/23/94/71/405239471.db2.gz RQLXTBPSGOHUIX-VIFPVBQESA-N 0 0 300.200 2.401 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(=O)OC)cc1F ZINC000425647409 405310431 /nfs/dbraw/zinc/31/04/31/405310431.db2.gz HGTFDCHALBFRRY-FZMZJTMJSA-N 0 0 322.336 2.325 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CCC(CCC)CC1 ZINC000425890056 405326751 /nfs/dbraw/zinc/32/67/51/405326751.db2.gz VOTIHMQVUGEWQF-GRAKBVBRSA-N 0 0 322.449 2.169 10 30 DEEERN CC(C)OC(=O)[C@@H](C)CNC(=O)NCC1CCC(C#N)CC1 ZINC000440984414 405332119 /nfs/dbraw/zinc/33/21/19/405332119.db2.gz LEKGWKBJXZFSNP-HSBZDZAISA-N 0 0 309.410 2.203 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1C[C@@H](OC)C1(CC)CC ZINC000425477250 405296458 /nfs/dbraw/zinc/29/64/58/405296458.db2.gz OMLYZCMNOMKAOC-ZQDZILKHSA-N 0 0 310.438 2.470 10 30 DEEERN CN(C(=O)Cn1cc(-c2ccccc2)nn1)c1ccc(C#N)cc1 ZINC000440046440 405300210 /nfs/dbraw/zinc/30/02/10/405300210.db2.gz DCFJNSNXUIBGQQ-UHFFFAOYSA-N 0 0 317.352 2.480 10 30 DEEERN C=CCC1(C(=O)N2CCOc3nc(C)ccc32)CCOCC1 ZINC000425560411 405303295 /nfs/dbraw/zinc/30/32/95/405303295.db2.gz JZMCYLYDEQRJOC-UHFFFAOYSA-N 0 0 302.374 2.488 10 30 DEEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1cc(-c2ccsc2)nn1C ZINC000427075198 405387935 /nfs/dbraw/zinc/38/79/35/405387935.db2.gz SGFCUQCLSZGVNN-SNVBAGLBSA-N 0 0 318.402 2.168 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000454748853 405377038 /nfs/dbraw/zinc/37/70/38/405377038.db2.gz AXZPKCOGCCVCMV-QKCSRTOESA-N 0 0 305.334 2.299 10 30 DEEERN C=C(C)COc1cccc(NC(=O)N2CC[C@H](C(=O)NC)C2)c1 ZINC000421056068 405441836 /nfs/dbraw/zinc/44/18/36/405441836.db2.gz SDVQBRIELWUABI-ZDUSSCGKSA-N 0 0 317.389 2.241 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000448847575 405455363 /nfs/dbraw/zinc/45/53/63/405455363.db2.gz VJSDPVFNJYDTEI-MRXNPFEDSA-N 0 0 324.384 2.113 10 30 DEEERN CN(CCCC(=O)OC(C)(C)C)C(=O)c1ccc(C#N)n1C ZINC000448883203 405459199 /nfs/dbraw/zinc/45/91/99/405459199.db2.gz FUZMCXBRCXMPMZ-UHFFFAOYSA-N 0 0 305.378 2.091 10 30 DEEERN COc1ccc(CCNC(=O)c2ccc(C#N)n2C)cc1F ZINC000448899647 405460983 /nfs/dbraw/zinc/46/09/83/405460983.db2.gz WSZDYRIZALYCTJ-UHFFFAOYSA-N 0 0 301.321 2.017 10 30 DEEERN C=CCn1c(N2CCC[C@H](CO)[C@@H]2C)nnc1[C@]1(C)CCCO1 ZINC000556900433 405556838 /nfs/dbraw/zinc/55/68/38/405556838.db2.gz BKYBBMUJCMBOLR-VBQJREDUSA-N 0 0 320.437 2.087 10 30 DEEERN C=CCC[C@H](CO)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000456769681 405557265 /nfs/dbraw/zinc/55/72/65/405557265.db2.gz QQIMWEFTGXYGOO-OAHLLOKOSA-N 0 0 302.349 2.172 10 30 DEEERN CC#CCN(C)C(=O)N[C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000458631127 405512595 /nfs/dbraw/zinc/51/25/95/405512595.db2.gz UKZMQXHOJZMGCL-MRXNPFEDSA-N 0 0 314.364 2.313 10 30 DEEERN C=C1CC(C)(C(=O)NCCc2cnc3c(Cl)cnn3c2)C1 ZINC000633242710 405522932 /nfs/dbraw/zinc/52/29/32/405522932.db2.gz JWZNICNOPJMZIM-UHFFFAOYSA-N 0 0 304.781 2.398 10 30 DEEERN C=CCCCCCNC(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000580091326 405586286 /nfs/dbraw/zinc/58/62/86/405586286.db2.gz XVOGTILZUULYNS-UHFFFAOYSA-N 0 0 303.362 2.311 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000458788282 405592620 /nfs/dbraw/zinc/59/26/20/405592620.db2.gz ZVKTUFSINLGREO-SWLSCSKDSA-N 0 0 322.380 2.448 10 30 DEEERN C=C(CC)CNC(=O)Cc1nnc(-c2ccccc2OC)o1 ZINC000633358864 405594566 /nfs/dbraw/zinc/59/45/66/405594566.db2.gz MWYHGKWFMJBBJG-UHFFFAOYSA-N 0 0 301.346 2.370 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)NCC[C@](C)(O)COC ZINC000458934944 405661677 /nfs/dbraw/zinc/66/16/77/405661677.db2.gz KSKZPBDNQMVELB-KRWDZBQOSA-N 0 0 324.396 2.311 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC000558673707 405686669 /nfs/dbraw/zinc/68/66/69/405686669.db2.gz FCNXIGFDMJEABP-KBPBESRZSA-N 0 0 320.437 2.424 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC000558673708 405686694 /nfs/dbraw/zinc/68/66/94/405686694.db2.gz FCNXIGFDMJEABP-KGLIPLIRSA-N 0 0 320.437 2.424 10 30 DEEERN C=CCCn1cc(C(=O)NCC[C@H]2CNc3ccccc32)nn1 ZINC000638870593 405730133 /nfs/dbraw/zinc/73/01/33/405730133.db2.gz PDLGDBLEWDWZST-ZDUSSCGKSA-N 0 0 311.389 2.183 10 30 DEEERN C=CCC1(C(=O)N[C@H]2CCN(C(=O)NCC)C2)CCCCC1 ZINC000450122421 405746697 /nfs/dbraw/zinc/74/66/97/405746697.db2.gz OPGUTANXQFXOCY-AWEZNQCLSA-N 0 0 307.438 2.433 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)Oc2ccccc2NC1=O ZINC000633646926 405764855 /nfs/dbraw/zinc/76/48/55/405764855.db2.gz PMOMKWGGUKSAMS-JCGVRSQUSA-N 0 0 312.369 2.486 10 30 DEEERN C=C[C@H](CO)NC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC000633647936 405765290 /nfs/dbraw/zinc/76/52/90/405765290.db2.gz APMCAGUIKLJPGE-VNHYZAJKSA-N 0 0 324.218 2.390 10 30 DEEERN C=C[C@@](C)(O)C(=O)NCc1ccc(Br)c(F)c1F ZINC000529876605 405770228 /nfs/dbraw/zinc/77/02/28/405770228.db2.gz MTBOHADPSKRFNI-GFCCVEGCSA-N 0 0 320.133 2.281 10 30 DEEERN C[C@H](NC(=O)Cc1cccc(C#N)c1)C(=O)Nc1ccccc1 ZINC000530915108 405879543 /nfs/dbraw/zinc/87/95/43/405879543.db2.gz PMXYKVKUJPUYNA-ZDUSSCGKSA-N 0 0 307.353 2.244 10 30 DEEERN C=C[C@@](C)(O)C(=O)NCc1c(Cl)cccc1OC(F)F ZINC000636337390 405899477 /nfs/dbraw/zinc/89/94/77/405899477.db2.gz GSMRRNVOJTUDPU-CYBMUJFWSA-N 0 0 305.708 2.495 10 30 DEEERN N#Cc1cccc(CC(=O)NCc2ccnc(N3CCCC3)c2)c1 ZINC000530671760 405843560 /nfs/dbraw/zinc/84/35/60/405843560.db2.gz OVQNCXOOINBGDE-UHFFFAOYSA-N 0 0 320.396 2.412 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000633963247 405931604 /nfs/dbraw/zinc/93/16/04/405931604.db2.gz HJSGVVJQPBVJJA-UHFFFAOYSA-N 0 0 310.419 2.056 10 30 DEEERN CCOC(=O)[C@H]1CN(c2cccc(Cl)c2C#N)CC12COC2 ZINC000450561238 405956262 /nfs/dbraw/zinc/95/62/62/405956262.db2.gz LMRXEXMFHQFACQ-GFCCVEGCSA-N 0 0 320.776 2.228 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1sc(C)cc1Br ZINC000457706273 405962739 /nfs/dbraw/zinc/96/27/39/405962739.db2.gz IBQHJUYUOCVNQT-MRVPVSSYSA-N 0 0 304.209 2.486 10 30 DEEERN C=C1CC(C)(C(=O)NCC(=O)c2cncc(Br)c2)C1 ZINC000633931888 405918561 /nfs/dbraw/zinc/91/85/61/405918561.db2.gz PIYWJJHNNOVZCZ-UHFFFAOYSA-N 0 0 323.190 2.499 10 30 DEEERN C=C(C)CN(CC)C(=O)CN[C@@](C)(c1noc(C)n1)C1CC1 ZINC000433308603 405918741 /nfs/dbraw/zinc/91/87/41/405918741.db2.gz YKMNVDXESUYMAL-MRXNPFEDSA-N 0 0 306.410 2.017 10 30 DEEERN C[C@H]1CCN(C(=O)Cc2cccc(C#N)c2)C[C@H]1n1ccnc1 ZINC000531581199 405982135 /nfs/dbraw/zinc/98/21/35/405982135.db2.gz UPVJWXMSFLHAOG-WMLDXEAASA-N 0 0 308.385 2.407 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCc1cccc(F)c1 ZINC000636482016 405982456 /nfs/dbraw/zinc/98/24/56/405982456.db2.gz ZIBIKYUPQCWRMG-UHFFFAOYSA-N 0 0 306.381 2.203 10 30 DEEERN C=CCn1c(N2C[C@@H](C)OC(C)(C)C2)nnc1[C@@]1(C)CCCO1 ZINC000562568804 406036424 /nfs/dbraw/zinc/03/64/24/406036424.db2.gz CLOJCBBPVHFFRI-CXAGYDPISA-N 0 0 320.437 2.493 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)C1CCC(C)CC1 ZINC000632301198 406084317 /nfs/dbraw/zinc/08/43/17/406084317.db2.gz PQOMULQBEOFDSX-JYVUQVBGSA-N 0 0 301.452 2.466 10 30 DEEERN C=CCCCCCNC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000566570775 406089799 /nfs/dbraw/zinc/08/97/99/406089799.db2.gz UCJQBKHLJQOPIU-KBPBESRZSA-N 0 0 316.467 2.388 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@H]1CCCCS1 ZINC000636860495 406104304 /nfs/dbraw/zinc/10/43/04/406104304.db2.gz VPSABZZMTMAYOO-CYBMUJFWSA-N 0 0 312.479 2.497 10 30 DEEERN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C23CC(C2)C3)cc1 ZINC000636672805 406049264 /nfs/dbraw/zinc/04/92/64/406049264.db2.gz OVPXGRSNCYXBDK-UHFFFAOYSA-N 0 0 320.414 2.232 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000514934600 406055922 /nfs/dbraw/zinc/05/59/22/406055922.db2.gz UKVOMFCFQZTFCZ-SIRPWMCASA-N 0 0 322.449 2.303 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C)c1c(C)noc1C ZINC000636717198 406061390 /nfs/dbraw/zinc/06/13/90/406061390.db2.gz DAWYZKPINCBQJS-JTQLQIEISA-N 0 0 307.394 2.187 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)NCC2=CCOCC2)cc1 ZINC000515463291 406070398 /nfs/dbraw/zinc/07/03/98/406070398.db2.gz XDAJBCRETFKULF-UHFFFAOYSA-N 0 0 315.373 2.071 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC000637073221 406167990 /nfs/dbraw/zinc/16/79/90/406167990.db2.gz NIVAFDGQEGMBCM-MRXNPFEDSA-N 0 0 315.417 2.464 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCC1(CCOC)CCC1 ZINC000636863310 406105066 /nfs/dbraw/zinc/10/50/66/406105066.db2.gz ABMCSNZIJLKEII-UHFFFAOYSA-N 0 0 310.438 2.028 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1coc2c1ccc(OC)c2C ZINC000632445899 406141023 /nfs/dbraw/zinc/14/10/23/406141023.db2.gz SDGPZYJPVIMBCE-CYBMUJFWSA-N 0 0 303.358 2.346 10 30 DEEERN C=CCCCNC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000568021652 406180735 /nfs/dbraw/zinc/18/07/35/406180735.db2.gz CWKFDKKBTLKVAD-OAHLLOKOSA-N 0 0 301.390 2.447 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCCO[C@@H](CC)C1 ZINC000632583954 406189606 /nfs/dbraw/zinc/18/96/06/406189606.db2.gz UHORFBLBBFIMEI-AWEZNQCLSA-N 0 0 310.438 2.123 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 ZINC000632591395 406192967 /nfs/dbraw/zinc/19/29/67/406192967.db2.gz VPMFJWSPWLTJNO-QMMMGPOBSA-N 0 0 309.313 2.015 10 30 DEEERN C=CCCCCNC(=O)C(=O)NCc1ccc2cccnc2c1 ZINC000637201839 406210727 /nfs/dbraw/zinc/21/07/27/406210727.db2.gz FGATZFBEAABSPS-UHFFFAOYSA-N 0 0 311.385 2.324 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)N[C@@H](c2ccc(C)c(C)c2)C1=O ZINC000568254529 406217217 /nfs/dbraw/zinc/21/72/17/406217217.db2.gz BRPPMZUALYKQLT-JYJNAYRXSA-N 0 0 314.385 2.487 10 30 DEEERN C=CCCC1(CNC(=O)NC[C@H](O)[C@H]2CCCO2)CCCC1 ZINC000637262091 406233275 /nfs/dbraw/zinc/23/32/75/406233275.db2.gz CKZPLQSYEAJZPH-LSDHHAIUSA-N 0 0 310.438 2.352 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1Cc2cncn2C1 ZINC000637223318 406220412 /nfs/dbraw/zinc/22/04/12/406220412.db2.gz KBYMVNHHTDKCGS-HOTGVXAUSA-N 0 0 310.401 2.294 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCC(CCOC)CC1 ZINC000632674066 406223120 /nfs/dbraw/zinc/22/31/20/406223120.db2.gz SUAOOTQIFHGBPO-UHFFFAOYSA-N 0 0 324.465 2.370 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000569098712 406224057 /nfs/dbraw/zinc/22/40/57/406224057.db2.gz FPCSJXMAMAAXDN-ZNMIVQPWSA-N 0 0 308.422 2.369 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc(C)o1 ZINC000637238976 406224678 /nfs/dbraw/zinc/22/46/78/406224678.db2.gz JYQQCRJYJRPVIU-DZGCQCFKSA-N 0 0 304.390 2.455 10 30 DEEERN C=CCOCCCNC(=O)N1CC[C@H](c2ccc(O)cc2)C1 ZINC000637276260 406238824 /nfs/dbraw/zinc/23/88/24/406238824.db2.gz ZHNKNIZQXSKCSQ-HNNXBMFYSA-N 0 0 304.390 2.484 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000519767887 406250461 /nfs/dbraw/zinc/25/04/61/406250461.db2.gz DCILDRKXQBYDHE-ZDUSSCGKSA-N 0 0 306.410 2.066 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000637321166 406257699 /nfs/dbraw/zinc/25/76/99/406257699.db2.gz SYZASXNVMHVADB-HNNXBMFYSA-N 0 0 315.417 2.471 10 30 DEEERN COc1ccc2c(c1)OC[C@H](NC(=O)Cc1cccc(C#N)c1)C2 ZINC000536621915 406270579 /nfs/dbraw/zinc/27/05/79/406270579.db2.gz UDAFPYJOBWVWCI-MRXNPFEDSA-N 0 0 322.364 2.229 10 30 DEEERN C=C1CC(C)(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2C)C1 ZINC000632787523 406262393 /nfs/dbraw/zinc/26/23/93/406262393.db2.gz SERKCGDIXYKPFX-UHFFFAOYSA-N 0 0 323.414 2.056 10 30 DEEERN CC#CC[C@H](CO)NC(=O)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000637359249 406274465 /nfs/dbraw/zinc/27/44/65/406274465.db2.gz YPZBEZMKNLSCKQ-DMRZNYOFSA-N 0 0 318.804 2.052 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2cc(OC)ccc21 ZINC000569962091 406326293 /nfs/dbraw/zinc/32/62/93/406326293.db2.gz GGDJSISBAJAUJQ-BBRMVZONSA-N 0 0 302.374 2.358 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC000637411900 406299152 /nfs/dbraw/zinc/29/91/52/406299152.db2.gz XICCIFYJBDLHOY-STQMWFEESA-N 0 0 322.405 2.249 10 30 DEEERN C[C@H](C#N)CNC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000541947540 406302550 /nfs/dbraw/zinc/30/25/50/406302550.db2.gz HXVLLCZEYDKTEU-CHWSQXEVSA-N 0 0 309.410 2.299 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC000637792173 406422220 /nfs/dbraw/zinc/42/22/20/406422220.db2.gz HGJXQJFLQJFDOS-CYBMUJFWSA-N 0 0 317.389 2.095 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccnn1CC1CCC1 ZINC000635097835 406423403 /nfs/dbraw/zinc/42/34/03/406423403.db2.gz UQHKUWHBBCTQHJ-ZDUSSCGKSA-N 0 0 318.421 2.483 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@@H](CCO)C1CCOCC1 ZINC000637621201 406368276 /nfs/dbraw/zinc/36/82/76/406368276.db2.gz MZEQPRLLJATUSG-HNNXBMFYSA-N 0 0 312.454 2.456 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N(C)[C@@H](CO)COC(C)C ZINC000637620318 406368642 /nfs/dbraw/zinc/36/86/42/406368642.db2.gz BIOQWSFJHNXPJZ-AWEZNQCLSA-N 0 0 300.443 2.406 10 30 DEEERN CC(C)(C)OC(=O)CCCNC(=O)Cc1cccc(C#N)c1 ZINC000570751104 406434376 /nfs/dbraw/zinc/43/43/76/406434376.db2.gz DFINKEYJSMLHLT-UHFFFAOYSA-N 0 0 302.374 2.339 10 30 DEEERN C=CCOc1ccc(C[N@H+]2CC[C@@](COC)(C(=O)[O-])C2)cc1 ZINC000635317314 406498275 /nfs/dbraw/zinc/49/82/75/406498275.db2.gz HGIWUROVQMFCRV-QGZVFWFLSA-N 0 0 305.374 2.175 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)C[C@@H]1CCCS1(=O)=O ZINC000635185040 406452453 /nfs/dbraw/zinc/45/24/53/406452453.db2.gz JZTDIXYJFASSPT-ZDUSSCGKSA-N 0 0 313.444 2.230 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NC[C@H](C)c1c(C)noc1C ZINC000570986003 406464123 /nfs/dbraw/zinc/46/41/23/406464123.db2.gz XUFUWTQYEQLQGJ-LBPRGKRZSA-N 0 0 321.421 2.374 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)C[C@H]1CCCS1(=O)=O ZINC000635443058 406540042 /nfs/dbraw/zinc/54/00/42/406540042.db2.gz DPEWTVFNIBEEAO-MRXNPFEDSA-N 0 0 321.442 2.211 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(NC(C)=O)c1 ZINC000571757162 406561773 /nfs/dbraw/zinc/56/17/73/406561773.db2.gz ZINIYXGWIKFDDV-HOCLYGCPSA-N 0 0 317.389 2.035 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1oc(COC(C)(C)C)nc1C ZINC000572049922 406599100 /nfs/dbraw/zinc/59/91/00/406599100.db2.gz XKBBYNYJCCSIRR-LBPRGKRZSA-N 0 0 310.394 2.355 10 30 DEEERN C#C[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000491504026 406606375 /nfs/dbraw/zinc/60/63/75/406606375.db2.gz FVIISURZPRAXQW-STQMWFEESA-N 0 0 308.175 2.419 10 30 DEEERN Cc1cccc(C[C@@H](CO)NC(=O)Cc2cccc(C#N)c2)c1 ZINC000527059830 406577639 /nfs/dbraw/zinc/57/76/39/406577639.db2.gz PDORRMMGJGQXST-SFHVURJKSA-N 0 0 308.381 2.129 10 30 DEEERN N#CC1CCC(CNC(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 ZINC000572564150 406690995 /nfs/dbraw/zinc/69/09/95/406690995.db2.gz CMOQYMLKHOWQBP-UHFFFAOYSA-N 0 0 324.384 2.324 10 30 DEEERN C=CCn1c(N(C)C[C@H]2CCCO2)nnc1[C@]1(C)CCCO1 ZINC000572831871 406747230 /nfs/dbraw/zinc/74/72/30/406747230.db2.gz TZGZBECQKCYIGH-CJNGLKHVSA-N 0 0 306.410 2.105 10 30 DEEERN C=CCn1c(N2CC=C(COC)CC2)nnc1[C@]1(C)CCCO1 ZINC000574725311 406785931 /nfs/dbraw/zinc/78/59/31/406785931.db2.gz VBLNZTQHHPPKBW-KRWDZBQOSA-N 0 0 318.421 2.273 10 30 DEEERN C=CCn1c(N2CCC[C@@H](COC)C2)nnc1[C@]1(C)CCCO1 ZINC000575089099 406789551 /nfs/dbraw/zinc/78/95/51/406789551.db2.gz JPSVXKHKSOVAEO-PBHICJAKSA-N 0 0 320.437 2.353 10 30 DEEERN CCOC(=O)Cc1ccc(C#N)c(C=O)c1OC(F)(F)F ZINC000575391214 406809020 /nfs/dbraw/zinc/80/90/20/406809020.db2.gz PEEHDUUSPMGXHH-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN N#CCc1c(F)cc(I)cc1[N+](=O)[O-] ZINC000575707288 406821456 /nfs/dbraw/zinc/82/14/56/406821456.db2.gz UALKHJRFAIGVEN-UHFFFAOYSA-N 0 0 306.034 2.405 10 30 DEEERN CCOc1c(N)cc(I)cc1CC#N ZINC000575717296 406823594 /nfs/dbraw/zinc/82/35/94/406823594.db2.gz FDDXDPICYCLOBB-UHFFFAOYSA-N 0 0 302.115 2.338 10 30 DEEERN C=CCn1cc(CNC(=O)N2CCC(C(C)(C)C)CC2)nn1 ZINC000575983358 406828032 /nfs/dbraw/zinc/82/80/32/406828032.db2.gz JVVGULIXNPBBHH-UHFFFAOYSA-N 0 0 305.426 2.432 10 30 DEEERN C=CCCCCCNC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 ZINC000577125012 406835451 /nfs/dbraw/zinc/83/54/51/406835451.db2.gz WKHDROWUQAHMRY-KBPBESRZSA-N 0 0 314.451 2.094 10 30 DEEERN C=CCOCCCC(=O)N(C)c1ccc(C(F)(F)F)nn1 ZINC000555514481 406845794 /nfs/dbraw/zinc/84/57/94/406845794.db2.gz OKRIFCKKYZFYOU-UHFFFAOYSA-N 0 0 303.284 2.441 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000556186949 406864217 /nfs/dbraw/zinc/86/42/17/406864217.db2.gz BPLZWVBRRRTOTR-SCRDCRAPSA-N 0 0 321.808 2.021 10 30 DEEERN O=C(NCCc1cscn1)c1ccc(C#CCO)c(Cl)c1 ZINC000128905744 196002886 /nfs/dbraw/zinc/00/28/86/196002886.db2.gz ABRKQVPRGIVMSU-UHFFFAOYSA-N 0 0 320.801 2.113 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)cc1 ZINC000129378917 196043153 /nfs/dbraw/zinc/04/31/53/196043153.db2.gz DYRPBIKVYVROJM-UHFFFAOYSA-N 0 0 317.352 2.272 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccccc1OCCOC ZINC000130534330 196088744 /nfs/dbraw/zinc/08/87/44/196088744.db2.gz SCXXLLKIFFIDMP-UHFFFAOYSA-N 0 0 320.389 2.075 10 30 DEEERN Cc1cc(C#CCO)cc(C(=O)N[C@@H](C)c2nccs2)c1 ZINC000131667479 196189673 /nfs/dbraw/zinc/18/96/73/196189673.db2.gz KVPWLMQEEBQQDF-LBPRGKRZSA-N 0 0 300.383 2.286 10 30 DEEERN Cc1cc(C#CCO)cc(C(=O)NC[C@]2(C)CCCS2)c1 ZINC000131688144 196191445 /nfs/dbraw/zinc/19/14/45/196191445.db2.gz MJQRQVSMRMEBQM-KRWDZBQOSA-N 0 0 303.427 2.354 10 30 DEEERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC(C#N)CC1 ZINC000133789526 196335935 /nfs/dbraw/zinc/33/59/35/196335935.db2.gz GZGMEKFQIWLUNL-ZDUSSCGKSA-N 0 0 316.409 2.182 10 30 DEEERN CN(C)c1nc2cc(NC(=O)c3cc(C#N)cn3C)ccc2o1 ZINC000133903963 196344831 /nfs/dbraw/zinc/34/48/31/196344831.db2.gz MFDWFLWLCMMCLN-UHFFFAOYSA-N 0 0 309.329 2.356 10 30 DEEERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cccc(C#N)c1)CC2 ZINC000133955431 196348447 /nfs/dbraw/zinc/34/84/47/196348447.db2.gz SWWOKACZBJCUOF-AWEZNQCLSA-N 0 0 309.373 2.018 10 30 DEEERN N#C[C@]1([C@@H](O)c2ccc(Cl)c(Cl)c2)CCS(=O)(=O)C1 ZINC000134627267 196408502 /nfs/dbraw/zinc/40/85/02/196408502.db2.gz WOXRXIPVNMQWHJ-NWDGAFQWSA-N 0 0 320.197 2.355 10 30 DEEERN N#CC1(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)CCCC1 ZINC000135436739 196473785 /nfs/dbraw/zinc/47/37/85/196473785.db2.gz GTVMCNRAPRKITB-HNNXBMFYSA-N 0 0 300.358 2.376 10 30 DEEERN N#Cc1ccc(C2(C(=O)Nc3nc4ccccn4n3)CC2)cc1 ZINC000189642988 225058022 /nfs/dbraw/zinc/05/80/22/225058022.db2.gz YLQIPXXJWVZYFH-UHFFFAOYSA-N 0 0 303.325 2.271 10 30 DEEERN Cn1nc(-c2ccccc2)c(CN2CC(O)(CC#N)C2)c1Cl ZINC000191917726 225118484 /nfs/dbraw/zinc/11/84/84/225118484.db2.gz QTQRCRAGDPKJKW-UHFFFAOYSA-N 0 0 316.792 2.201 10 30 DEEERN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1ccnc(C#N)c1 ZINC000193510100 225161699 /nfs/dbraw/zinc/16/16/99/225161699.db2.gz APIOCQBOFDOFSV-CYBMUJFWSA-N 0 0 301.309 2.330 10 30 DEEERN C[C@H](NC(=O)N1CCOC2(CCOCC2)C1)c1ccncc1F ZINC000328728789 225790721 /nfs/dbraw/zinc/79/07/21/225790721.db2.gz HBSVCZFWKNUGLL-LBPRGKRZSA-N 0 0 323.368 2.077 10 30 DEEERN C[C@]1(NC(=O)CN2c3ccccc3CCCC2=O)CCOC1 ZINC000328778831 225797400 /nfs/dbraw/zinc/79/74/00/225797400.db2.gz DTYBHSMWSZUAFR-KRWDZBQOSA-N 0 0 302.374 2.491 10 30 DEEERN Cn1ncc2c1C[C@H](C(=O)NCC1(CO)CC3(CCC3)C1)CC2 ZINC000328832293 225802598 /nfs/dbraw/zinc/80/25/98/225802598.db2.gz RMGUFHHLYGSAMD-CYBMUJFWSA-N 0 0 317.433 2.424 10 30 DEEERN [O-]C(=[NH+][C@@H]1CCc2c1cccc2O)N1CCc2cncnc2C1 ZINC000329805018 225931945 /nfs/dbraw/zinc/93/19/45/225931945.db2.gz MNNNEGGQRIWUOG-CQSZACIVSA-N 0 0 310.357 2.142 10 30 DEEERN N#C[C@@H]1CN(CCc2cscn2)C[C@]12C(=O)Nc1ccccc12 ZINC000333657781 226109514 /nfs/dbraw/zinc/10/95/14/226109514.db2.gz GGMHUXIUZFVIET-PXAZEXFGSA-N 0 0 324.409 2.031 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]2)CCN1C1CC1 ZINC000370968560 227060455 /nfs/dbraw/zinc/06/04/55/227060455.db2.gz MIYUGDABVJHDMR-MRXNPFEDSA-N 0 0 320.396 2.494 10 30 DEEERN Cc1ccn2c(c1)nnc2NC(=O)CCc1ccc(C#N)cc1 ZINC000088254992 418492407 /nfs/dbraw/zinc/49/24/07/418492407.db2.gz JSWPGZZPPWMZJE-UHFFFAOYSA-N 0 0 305.341 2.481 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291076598 222119776 /nfs/dbraw/zinc/11/97/76/222119776.db2.gz BOGIYRVIACTKKI-OAQYLSRUSA-N 0 0 323.436 2.493 10 30 DEEERN C[C@@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C1CCCCC1 ZINC000377881322 227203850 /nfs/dbraw/zinc/20/38/50/227203850.db2.gz WFBZVQSRIYBFIN-CJNGLKHVSA-N 0 0 304.438 2.337 10 30 DEEERN N#Cc1ccc(N[C@H]2CCN(c3ncccc3Cl)C2)nn1 ZINC000301967827 230010527 /nfs/dbraw/zinc/01/05/27/230010527.db2.gz OZFDVCDIVRLNKS-NSHDSACASA-N 0 0 300.753 2.087 10 30 DEEERN N#Cc1cc2c(nc1NCc1ccnc3ccnn31)CCCC2 ZINC000302066713 230075706 /nfs/dbraw/zinc/07/57/06/230075706.db2.gz SSMMXZFDVZNJPS-UHFFFAOYSA-N 0 0 304.357 2.487 10 30 DEEERN Cc1nc(C)n(C[C@H]2CCCN(c3ccc(C)c(C#N)n3)C2)n1 ZINC000302616245 230320643 /nfs/dbraw/zinc/32/06/43/230320643.db2.gz FZZKYROWIAXDQH-HNNXBMFYSA-N 0 0 310.405 2.387 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)n(C(C)C)n2)C1 ZINC000627733445 421862280 /nfs/dbraw/zinc/86/22/80/421862280.db2.gz VCHPPXPROHQWAZ-CYBMUJFWSA-N 0 0 304.394 2.136 10 30 DEEERN C=CCCC(C)(C)CNC(=O)Nc1ccc(C(=O)OC)nn1 ZINC000603007535 422441581 /nfs/dbraw/zinc/44/15/81/422441581.db2.gz LWEISZGCGQTZCP-UHFFFAOYSA-N 0 0 306.366 2.377 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(NCC2CC2)nc1)C(=O)OC ZINC000601781247 422427036 /nfs/dbraw/zinc/42/70/36/422427036.db2.gz HPUXHQGYULBYTD-AWEZNQCLSA-N 0 0 317.389 2.141 10 30 DEEERN C=CCN(CC(=O)Nc1ccon1)Cc1cccc([N+](=O)[O-])c1 ZINC000604487842 422456818 /nfs/dbraw/zinc/45/68/18/422456818.db2.gz UUUQXZDYPHZTHN-UHFFFAOYSA-N 0 0 316.317 2.210 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C2CC2)n(CC)n1 ZINC000612038741 422480806 /nfs/dbraw/zinc/48/08/06/422480806.db2.gz DEOIAEOUDRBASE-CYBMUJFWSA-N 0 0 304.394 2.190 10 30 DEEERN N#Cc1nc(N[C@@H]2CCCC[C@H]2C(N)=O)ccc1C(F)(F)F ZINC000619696699 422532027 /nfs/dbraw/zinc/53/20/27/422532027.db2.gz UTVHZFLUJHUMTR-PSASIEDQSA-N 0 0 312.295 2.428 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)C1CCOCC1 ZINC000092264717 264013411 /nfs/dbraw/zinc/01/34/11/264013411.db2.gz PMPUKPNWZDAHJS-UHFFFAOYSA-N 0 0 310.357 2.121 10 30 DEEERN C[C@@]1(O)C[C@H](Nc2nc3c(c(C#N)c2C#N)CCCCCC3)C1 ZINC000333540458 424921860 /nfs/dbraw/zinc/92/18/60/424921860.db2.gz NTHXXVQMBIEVRH-HEHXSTRBSA-N 0 0 310.401 2.809 10 30 DEEERN Cc1nnc(NC(=O)NC[C@@H]2CCCc3sc(C)nc32)s1 ZINC000328642733 424901390 /nfs/dbraw/zinc/90/13/90/424901390.db2.gz YLKBTQNOCAOEMT-VIFPVBQESA-N 0 0 323.447 3.057 10 30 DEEERN C=CCC1(C(=O)Nc2n[nH]c3ccc(OC)cc32)CCOCC1 ZINC000424751079 424993876 /nfs/dbraw/zinc/99/38/76/424993876.db2.gz UAVOAMFCCSUAKO-UHFFFAOYSA-N 0 0 315.373 2.883 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNc1nccn2c1nnc2C(C)C ZINC000435601081 425030134 /nfs/dbraw/zinc/03/01/34/425030134.db2.gz JBLLRUZEHPXEGO-STQMWFEESA-N 0 0 301.394 2.641 10 30 DEEERN COCCCCCNC(=O)NCCOc1ccc(C#N)cc1 ZINC000176056760 267527920 /nfs/dbraw/zinc/52/79/20/267527920.db2.gz CIZLNXFGMZCGMT-UHFFFAOYSA-N 0 0 305.378 2.053 10 30 DEEERN N#Cc1c(Cl)cccc1N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528215872 268159091 /nfs/dbraw/zinc/15/90/91/268159091.db2.gz HLVPMPCAEMOQNH-MNOVXSKESA-N 0 0 310.806 2.368 10 30 DEEERN C[C@@H](C(=O)N[C@@H]1CCCc2ccc(F)cc21)n1cnc(C#N)n1 ZINC000524090351 269471108 /nfs/dbraw/zinc/47/11/08/269471108.db2.gz MZRCJVSBIZFPJU-IINYFYTJSA-N 0 0 313.336 2.044 10 30 DEEERN CS[C@@H]1CCC[C@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000363227083 277518777 /nfs/dbraw/zinc/51/87/77/277518777.db2.gz CXHMBYJDDKOUTQ-AEGPPILISA-N 0 0 322.478 2.042 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000425036329 277919860 /nfs/dbraw/zinc/91/98/60/277919860.db2.gz IXPBMUFSTMPDMX-JDFRZJQESA-N 0 0 311.422 2.282 10 30 DEEERN C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000271951404 278080511 /nfs/dbraw/zinc/08/05/11/278080511.db2.gz JPHLPMJGLGJGCM-GIYNXVAASA-N 0 0 316.426 2.223 10 30 DEEERN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)[C@H]2CCCCO2)C1 ZINC000329400535 278162156 /nfs/dbraw/zinc/16/21/56/278162156.db2.gz XUVWPBSLCOBHQS-GXTWGEPZSA-N 0 0 320.393 2.293 10 30 DEEERN C[C@@H]1CN(CC(=O)NC2(C#N)CCC2)C[C@@H](c2ccccc2)O1 ZINC000364752057 288140271 /nfs/dbraw/zinc/14/02/71/288140271.db2.gz BMVCCUJUSUKHSP-ZBFHGGJFSA-N 0 0 313.401 2.011 10 30 DEEERN COCCN(CC(C)C)C(=O)NCCOc1ccc(C#N)cc1 ZINC000074736717 281554523 /nfs/dbraw/zinc/55/45/23/281554523.db2.gz QPYAILGNQVWUJW-UHFFFAOYSA-N 0 0 319.405 2.251 10 30 DEEERN Cc1nc(C(=O)N2CC[C@@H](O)c3ccccc3C2)ccc1C#N ZINC000374682859 281826168 /nfs/dbraw/zinc/82/61/68/281826168.db2.gz MTWAAEQPGJJQHO-QGZVFWFLSA-N 0 0 307.353 2.341 10 30 DEEERN O=C(N[C@@H]1CCCc2ccccc21)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328683962 295380912 /nfs/dbraw/zinc/38/09/12/295380912.db2.gz DUBWXICJEPVWLW-IJEWVQPXSA-N 0 0 302.374 2.078 10 30 DEEERN N#Cc1cnccc1Nc1cnn(-c2cnc3ccccc3n2)c1 ZINC000575662516 326241249 /nfs/dbraw/zinc/24/12/49/326241249.db2.gz KLNPAUWITQSRMU-UHFFFAOYSA-N 0 0 313.324 2.248 10 30 DEEERN CC(C)[C@H]1CC[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)CC1 ZINC000408059744 331745219 /nfs/dbraw/zinc/74/52/19/331745219.db2.gz BJJQKUICNAESIM-SHTZXODSSA-N 0 0 305.422 2.033 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000521067881 332006847 /nfs/dbraw/zinc/00/68/47/332006847.db2.gz DODVJBGHPCAUJA-UHFFFAOYSA-N 0 0 317.436 2.126 10 30 DEEERN C=CCN(CC=C)C(=O)CNc1ccc2ccc(=O)n(C)c2c1 ZINC000559974591 332298464 /nfs/dbraw/zinc/29/84/64/332298464.db2.gz VYAOJIZFBXBMQV-UHFFFAOYSA-N 0 0 311.385 2.151 10 30 DEEERN C=CCn1c(N2CCOC(C)(C)C2)nnc1[C@]1(C)CCCO1 ZINC000560353140 332333551 /nfs/dbraw/zinc/33/35/51/332333551.db2.gz SGZMZFCRROHYTJ-INIZCTEOSA-N 0 0 306.410 2.105 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)CC1Cc2ccccc2C1 ZINC000562551208 332603226 /nfs/dbraw/zinc/60/32/26/332603226.db2.gz JKCDOBOEWSLOOS-SJORKVTESA-N 0 0 321.442 2.054 10 30 DEEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@H](C#N)C(C)(C)C ZINC000362343348 333051327 /nfs/dbraw/zinc/05/13/27/333051327.db2.gz RGNVVQCKYGAOGB-BDJLRTHQSA-N 0 0 307.394 2.303 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1cccc(OC)c1OC ZINC000571516907 333813207 /nfs/dbraw/zinc/81/32/07/333813207.db2.gz UOYMKZKEUOWHRY-GJZGRUSLSA-N 0 0 319.401 2.344 10 30 DEEERN C=CCn1nnnc1Sc1cc(C)nc(-c2cccnc2)n1 ZINC000301111932 336290602 /nfs/dbraw/zinc/29/06/02/336290602.db2.gz KWBMHBBHALCAJO-UHFFFAOYSA-N 0 0 311.374 2.171 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1sc(C(C)(C)OC)nc1C ZINC000355457379 336509984 /nfs/dbraw/zinc/50/99/84/336509984.db2.gz PSMGRJCNINMCJB-NSHDSACASA-N 0 0 312.435 2.247 10 30 DEEERN C=CCOC[C@H](NC(=O)c1ccc(CCC)cc1)C(=O)OC ZINC000360726463 336720574 /nfs/dbraw/zinc/72/05/74/336720574.db2.gz QVIOWZILWNMRKB-HNNXBMFYSA-N 0 0 305.374 2.113 10 30 DEEERN C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C#N)C1CCCCC1 ZINC000361143542 336740999 /nfs/dbraw/zinc/74/09/99/336740999.db2.gz VHKMWDIRKAQRSV-CZUORRHYSA-N 0 0 313.401 2.394 10 30 DEEERN C=CCCCN(C)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000173078583 337131982 /nfs/dbraw/zinc/13/19/82/337131982.db2.gz QTOXFFKKVVZTCR-UHFFFAOYSA-N 0 0 315.417 2.358 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185367481 337204465 /nfs/dbraw/zinc/20/44/65/337204465.db2.gz LYEWIFJMJSNEEP-CYBMUJFWSA-N 0 0 324.446 2.155 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCCCC[C@@H]1C ZINC000571809101 337577743 /nfs/dbraw/zinc/57/77/43/337577743.db2.gz CWXGDGGZKABVOV-KBPBESRZSA-N 0 0 306.410 2.321 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000515206850 337982629 /nfs/dbraw/zinc/98/26/29/337982629.db2.gz VCKXLKYBZLHSHG-KGLIPLIRSA-N 0 0 318.373 2.102 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(C(F)(F)F)n1 ZINC000515833665 337999507 /nfs/dbraw/zinc/99/95/07/337999507.db2.gz KCUWMJVEAUEEOZ-ONGXEEELSA-N 0 0 300.280 2.421 10 30 DEEERN C=CCNC(=O)C[S@@](=O)Cc1nc(-c2ccsc2)oc1C ZINC000505762074 340177055 /nfs/dbraw/zinc/17/70/55/340177055.db2.gz LCBVFIZJEATIOR-NRFANRHFSA-N 0 0 324.427 2.262 10 30 DEEERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)N2CCC(C#N)CC2)C1 ZINC000175793467 340419978 /nfs/dbraw/zinc/41/99/78/340419978.db2.gz CKRARLFCXWWELQ-ZIAGYGMSSA-N 0 0 321.421 2.442 10 30 DEEERN C=CCOCCCC(=O)N1CC[S@](=O)C(CC)(CC)C1 ZINC000186783199 340515706 /nfs/dbraw/zinc/51/57/06/340515706.db2.gz LUWUXOFFUDFMBK-FQEVSTJZSA-N 0 0 301.452 2.119 10 30 DEEERN C=C(C)CONC(=O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC000529512095 340758492 /nfs/dbraw/zinc/75/84/92/340758492.db2.gz LWRCYYAQOPMZOH-UHFFFAOYSA-N 0 0 303.284 2.476 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CN1C(=O)[C@H]2c3ccoc3CCN2C1=O ZINC000530198270 340782339 /nfs/dbraw/zinc/78/23/39/340782339.db2.gz CQMCRXAIHXJQSL-DFBGVHRSSA-N 0 0 316.357 2.122 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@@H](c2ccccn2)C2CCC2)C1=O ZINC000530204782 340782411 /nfs/dbraw/zinc/78/24/11/340782411.db2.gz XYBXZLSXHKORNL-LSDHHAIUSA-N 0 0 315.373 2.046 10 30 DEEERN CC1(C#N)CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000542797525 341020967 /nfs/dbraw/zinc/02/09/67/341020967.db2.gz HQGCICXLEIGXCK-UHFFFAOYSA-N 0 0 313.317 2.374 10 30 DEEERN CC#CCNC(=O)N[C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000135718245 341244658 /nfs/dbraw/zinc/24/46/58/341244658.db2.gz NBWZVVGUSZIIBN-SNVBAGLBSA-N 0 0 309.391 2.012 10 30 DEEERN C=CCn1c(CC)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000548856555 341278275 /nfs/dbraw/zinc/27/82/75/341278275.db2.gz PXDHXPCJFGPATN-CYBMUJFWSA-N 0 0 319.453 2.158 10 30 DEEERN N#C[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000246821634 341357460 /nfs/dbraw/zinc/35/74/60/341357460.db2.gz KQJDCAGLWFTWLC-VWYCJHECSA-N 0 0 308.740 2.334 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC000555191421 341476941 /nfs/dbraw/zinc/47/69/41/341476941.db2.gz SXPRKPPKFOJMQS-CQSZACIVSA-N 0 0 315.425 2.411 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1oc(COC(C)(C)C)nc1C ZINC000568031237 341646808 /nfs/dbraw/zinc/64/68/08/341646808.db2.gz RIHZOUHRWQKXAV-GFCCVEGCSA-N 0 0 310.394 2.213 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC(C)(C)[C@@H]1c1nccn1C ZINC000568755817 341680594 /nfs/dbraw/zinc/68/05/94/341680594.db2.gz QCLGRBHTLKVMDR-IHRRRGAJSA-N 0 0 318.421 2.104 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc2ncsc2c1 ZINC000569316683 341697516 /nfs/dbraw/zinc/69/75/16/341697516.db2.gz QWJTXWNRVOWRHH-YPMHNXCESA-N 0 0 324.427 2.308 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCC[C@]1(CO)CCC ZINC000576412778 341845169 /nfs/dbraw/zinc/84/51/69/341845169.db2.gz QMRLOBCIPMCWPE-KRWDZBQOSA-N 0 0 310.438 2.003 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000366869182 500580228 /nfs/dbraw/zinc/58/02/28/500580228.db2.gz DOCJKKHHIZMHCS-ZDUSSCGKSA-N 0 0 318.352 2.285 10 30 DEEERN C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N2CCOC[C@H]2C#N)o1 ZINC000370065643 533746785 /nfs/dbraw/zinc/74/67/85/533746785.db2.gz NYJJGBJQLDNDGG-RGDJUOJXSA-N 0 0 300.358 2.257 10 30 DEEERN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)C1 ZINC000247583693 533896459 /nfs/dbraw/zinc/89/64/59/533896459.db2.gz ZCQINYPRCWASJM-DWQUBVKVSA-N 0 0 312.369 2.357 10 30 DEEERN C=CC(C)(C)CNC(=O)NC(C)(C)c1cc(C(=O)OC)on1 ZINC000458992250 534509168 /nfs/dbraw/zinc/50/91/68/534509168.db2.gz VJGZWSFZPWUIFM-UHFFFAOYSA-N 0 0 309.366 2.208 10 30 DEEERN C=CC1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC3=O)CC1 ZINC000453645901 534519985 /nfs/dbraw/zinc/51/99/85/534519985.db2.gz AFSKXHGORYBWPY-UHFFFAOYSA-N 0 0 312.369 2.179 10 30 DEEERN CCCn1c2nnc(SCC#N)n2c2ccc(F)cc2c1=O ZINC000032985601 521641466 /nfs/dbraw/zinc/64/14/66/521641466.db2.gz RQFRQUDJBCKZHU-UHFFFAOYSA-N 0 0 317.349 2.209 10 30 DEEERN N#CCC1(O)CN(Cc2cccc(OCc3ccccn3)c2)C1 ZINC000190037278 534592406 /nfs/dbraw/zinc/59/24/06/534592406.db2.gz WCUVLYCFAUUZND-UHFFFAOYSA-N 0 0 309.369 2.121 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC000452920133 534605234 /nfs/dbraw/zinc/60/52/34/534605234.db2.gz FVNUOJVDVWXDCJ-RISCZKNCSA-N 0 0 316.357 2.258 10 30 DEEERN C=C[C@@](C)(O)CC(=O)NCc1nc(C)c(Br)s1 ZINC000452393308 534629038 /nfs/dbraw/zinc/62/90/38/534629038.db2.gz BGBDVCBXTDBAFS-LLVKDONJSA-N 0 0 319.224 2.157 10 30 DEEERN O=C(NCC1(C(F)(F)F)CC1)N1CCc2cc[nH]c(=O)c2C1 ZINC000329343393 534751975 /nfs/dbraw/zinc/75/19/75/534751975.db2.gz CFYFZRDAPAVOFV-UHFFFAOYSA-N 0 0 315.295 2.402 10 30 DEEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCC(C)(F)F ZINC000452215058 534764749 /nfs/dbraw/zinc/76/47/49/534764749.db2.gz GMSHRPBUNRQVPF-CYBMUJFWSA-N 0 0 304.337 2.410 10 30 DEEERN C[C@@H]1OCC[C@@]12CN(C(=O)c1sccc1C#N)C[C@@H](C)O2 ZINC000365560938 525587031 /nfs/dbraw/zinc/58/70/31/525587031.db2.gz AAOCXEXHTRPFLF-JRPNMDOOSA-N 0 0 306.387 2.028 10 30 DEEERN Cc1nc(C)c(CNC(=O)[C@H]2COCCN2CC(F)(F)F)o1 ZINC000329186313 534881321 /nfs/dbraw/zinc/88/13/21/534881321.db2.gz PURHQZLFRBLFHV-SNVBAGLBSA-N 0 0 321.299 2.011 10 30 DEEERN CC#CCCCC(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000373368553 526292914 /nfs/dbraw/zinc/29/29/14/526292914.db2.gz GLLAKEFDZMKDNN-HNNXBMFYSA-N 0 0 303.406 2.130 10 30 DEEERN CC#CCCNC(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000433700007 526328436 /nfs/dbraw/zinc/32/84/36/526328436.db2.gz UGJXWISRILULNN-UHFFFAOYSA-N 0 0 303.362 2.108 10 30 DEEERN CC#CCNC(=O)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000440606750 526367723 /nfs/dbraw/zinc/36/77/23/526367723.db2.gz YDRMRCWYXQVLGA-UHFFFAOYSA-N 0 0 300.692 2.356 10 30 DEEERN C=C(Br)CN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189691140 526426342 /nfs/dbraw/zinc/42/63/42/526426342.db2.gz RDHUOLVUVAJBTC-UHFFFAOYSA-N 0 0 311.227 2.318 10 30 DEEERN C=C(C)C(C)(C)C(=O)N[C@H](Cc1ccccn1)C(=O)OCC ZINC000424809112 526435085 /nfs/dbraw/zinc/43/50/85/526435085.db2.gz VLWAIFOXYMKXCY-CQSZACIVSA-N 0 0 304.390 2.274 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000341415846 526514658 /nfs/dbraw/zinc/51/46/58/526514658.db2.gz BIWXEPZOIRTBJR-HNNXBMFYSA-N 0 0 301.390 2.074 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000354653705 526556323 /nfs/dbraw/zinc/55/63/23/526556323.db2.gz NZBMKKAESUNGOX-GFCCVEGCSA-N 0 0 318.377 2.344 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)c2cn[nH]c2)cc1 ZINC000339858650 526650992 /nfs/dbraw/zinc/65/09/92/526650992.db2.gz CZQWDSVEDYCRER-LLVKDONJSA-N 0 0 313.361 2.208 10 30 DEEERN C#CCC(CC#C)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000376790948 526672925 /nfs/dbraw/zinc/67/29/25/526672925.db2.gz BXSWQMJSLNKJNC-UHFFFAOYSA-N 0 0 322.408 2.070 10 30 DEEERN C#CCCCCNC(=O)[C@@H]1CC[C@H](C(=O)NCCCCC#C)C1 ZINC000298095684 526705229 /nfs/dbraw/zinc/70/52/29/526705229.db2.gz KSKKJTKHZATNGX-CALCHBBNSA-N 0 0 316.445 2.242 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC000372012143 526712929 /nfs/dbraw/zinc/71/29/29/526712929.db2.gz VWLSBZQMODCVBD-DZGCQCFKSA-N 0 0 301.390 2.015 10 30 DEEERN C#CCCCS(=O)(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000376292438 526719118 /nfs/dbraw/zinc/71/91/18/526719118.db2.gz ZKYNXYSCEXIERP-GOEBONIOSA-N 0 0 307.415 2.192 10 30 DEEERN C=CCOCCCC(=O)N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000368856806 526734261 /nfs/dbraw/zinc/73/42/61/526734261.db2.gz XRFSNVOYWKBLTI-OAHLLOKOSA-N 0 0 322.405 2.392 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC000283123622 526739608 /nfs/dbraw/zinc/73/96/08/526739608.db2.gz BYYVSVNZAVKRMC-HZSPNIEDSA-N 0 0 306.410 2.034 10 30 DEEERN C=CCOCCCC(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000435289619 526744389 /nfs/dbraw/zinc/74/43/89/526744389.db2.gz OHCFJCSOZYCKPS-AWEZNQCLSA-N 0 0 302.374 2.211 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCCCc1c(C)nn(C)c1C)OCC ZINC000341477158 526747068 /nfs/dbraw/zinc/74/70/68/526747068.db2.gz WYEIMNHUSCXFSU-MRXNPFEDSA-N 0 0 307.438 2.457 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCCCNC(=O)c1ccccc1)OCC ZINC000339204885 526747985 /nfs/dbraw/zinc/74/79/85/526747985.db2.gz YQFMTKBPNDYGEJ-MRXNPFEDSA-N 0 0 318.417 2.294 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1c(C)cc(C)nc1OC ZINC000345790045 526763056 /nfs/dbraw/zinc/76/30/56/526763056.db2.gz SCRAEKFBDIEZTQ-ZFWWWQNUSA-N 0 0 304.390 2.304 10 30 DEEERN C=CCOCCNC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000371643241 526777701 /nfs/dbraw/zinc/77/77/01/526777701.db2.gz VCKMEVJMYRPLLW-HNNXBMFYSA-N 0 0 308.353 2.111 10 30 DEEERN CC(C)(C)c1ccc(OCC(=O)N2CCOC[C@H]2C#N)cc1 ZINC000175880908 526783192 /nfs/dbraw/zinc/78/31/92/526783192.db2.gz DMMFTVNKXWRFRG-CQSZACIVSA-N 0 0 302.374 2.114 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1snc(C)c1C#N ZINC000297465142 526846874 /nfs/dbraw/zinc/84/68/74/526846874.db2.gz QPCXOKVIFSUWPT-CMPLNLGQSA-N 0 0 306.391 2.426 10 30 DEEERN C=C(CC)CN1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000347482379 526854497 /nfs/dbraw/zinc/85/44/97/526854497.db2.gz UUAHZPQFSZOLSZ-LSDHHAIUSA-N 0 0 300.402 2.462 10 30 DEEERN C=CCSCCNC(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000357354715 526988349 /nfs/dbraw/zinc/98/83/49/526988349.db2.gz JNPKPLOCQLYLNI-NSHDSACASA-N 0 0 312.357 2.004 10 30 DEEERN C=CCC(C)(C)CNC(=O)N1CCNC[C@H]1c1cccnc1 ZINC000418218240 527005307 /nfs/dbraw/zinc/00/53/07/527005307.db2.gz QLPMKEUHOWKQTL-HNNXBMFYSA-N 0 0 302.422 2.340 10 30 DEEERN C=CC[C@@H](CC)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000374156698 527049839 /nfs/dbraw/zinc/04/98/39/527049839.db2.gz DBSNCZLGYSOGFE-UKRRQHHQSA-N 0 0 316.401 2.468 10 30 DEEERN C=CCC1(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)CCOCC1 ZINC000424847829 527049983 /nfs/dbraw/zinc/04/99/83/527049983.db2.gz GKYGTCRKDQBKEY-MPGHIAIKSA-N 0 0 323.433 2.154 10 30 DEEERN C=CCC1(C(=O)N[C@H](Cc2ccccn2)C(=O)OCC)CCC1 ZINC000362193143 527059524 /nfs/dbraw/zinc/05/95/24/527059524.db2.gz UVAYLHDHSVNMOS-OAHLLOKOSA-N 0 0 316.401 2.418 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@@H](C)Cc1cccc(OC)c1 ZINC000341799716 527065854 /nfs/dbraw/zinc/06/58/54/527065854.db2.gz HCYUIVVVUVQKRQ-DZGCQCFKSA-N 0 0 306.406 2.110 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000342158636 527076310 /nfs/dbraw/zinc/07/63/10/527076310.db2.gz IRTQARDEZBBSKU-LLVKDONJSA-N 0 0 321.327 2.065 10 30 DEEERN C#CCO[C@H](C)C(=O)N(CC(=O)OC(C)(C)C)c1ccccc1 ZINC000295039393 527079295 /nfs/dbraw/zinc/07/92/95/527079295.db2.gz RZCPINBEWSAYRV-CQSZACIVSA-N 0 0 317.385 2.400 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N1CCOCC[C@H]1C ZINC000378488146 527089444 /nfs/dbraw/zinc/08/94/44/527089444.db2.gz HPBZOVASRYRFOD-GFCCVEGCSA-N 0 0 306.337 2.480 10 30 DEEERN C#CCOc1ccc(CNC(=O)N(C)[C@@H](CO)CC(C)C)cc1 ZINC000297516889 527101052 /nfs/dbraw/zinc/10/10/52/527101052.db2.gz NLAUUUKFRBJUNA-MRXNPFEDSA-N 0 0 318.417 2.247 10 30 DEEERN C=CC[C@@H](CO)Nc1ccnc(C(=O)NCc2ccccc2)c1 ZINC000182661377 527104514 /nfs/dbraw/zinc/10/45/14/527104514.db2.gz RHNWJQNTIMSNCO-INIZCTEOSA-N 0 0 311.385 2.361 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C(=O)OC)C1 ZINC000413822343 527107555 /nfs/dbraw/zinc/10/75/55/527107555.db2.gz KNVDBGAJDVLWBH-CVEARBPZSA-N 0 0 316.401 2.378 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1noc(C)n1 ZINC000413308173 527110226 /nfs/dbraw/zinc/11/02/26/527110226.db2.gz CJYPAPOKIMQHFY-AWEZNQCLSA-N 0 0 300.362 2.365 10 30 DEEERN C=CCCCC(=O)N[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000370064918 527111464 /nfs/dbraw/zinc/11/14/64/527111464.db2.gz LIIGOXRZTJBEDG-AWEZNQCLSA-N 0 0 318.421 2.384 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)N[C@@H]1CCO[C@H](CC)C1 ZINC000422623161 527120475 /nfs/dbraw/zinc/12/04/75/527120475.db2.gz ZGPLGFDQYCWKPY-HUUCEWRRSA-N 0 0 310.438 2.265 10 30 DEEERN C#CCOc1cccc(NC(=O)C[C@@H]2CCOC[C@@H]2OC)c1 ZINC000294459063 527121291 /nfs/dbraw/zinc/12/12/91/527121291.db2.gz CDVYYSJGUCSMHL-BBRMVZONSA-N 0 0 303.358 2.079 10 30 DEEERN C=CCCCCCN(C)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000429472073 527124453 /nfs/dbraw/zinc/12/44/53/527124453.db2.gz SDOSIAPZUKKAGY-RRFJBIMHSA-N 0 0 307.438 2.384 10 30 DEEERN C=CCCCCCN(C)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000429472072 527124910 /nfs/dbraw/zinc/12/49/10/527124910.db2.gz SDOSIAPZUKKAGY-RBSFLKMASA-N 0 0 307.438 2.384 10 30 DEEERN C=CC[C@H](C)NC(=O)NCc1ncn(Cc2cccc(F)c2)n1 ZINC000444104606 527131651 /nfs/dbraw/zinc/13/16/51/527131651.db2.gz LJYLAHLCTCLANC-LBPRGKRZSA-N 0 0 317.368 2.229 10 30 DEEERN C#CCSCCNC(=O)N1CCc2cccc(OC)c2CC1 ZINC000194459867 527142323 /nfs/dbraw/zinc/14/23/23/527142323.db2.gz KVZZXDCLZKNAJR-UHFFFAOYSA-N 0 0 318.442 2.172 10 30 DEEERN C=CCCCCNC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000373505011 527150119 /nfs/dbraw/zinc/15/01/19/527150119.db2.gz PUAOKMRDIYIVQK-INIZCTEOSA-N 0 0 309.454 2.239 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CC(C)(C)CO ZINC000298024498 527160422 /nfs/dbraw/zinc/16/04/22/527160422.db2.gz QAMDUGLVRCCGMJ-INIZCTEOSA-N 0 0 302.418 2.281 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](C)CCCO ZINC000297591781 527162232 /nfs/dbraw/zinc/16/22/32/527162232.db2.gz DCDYUUHQJZBLHT-WBVHZDCISA-N 0 0 302.418 2.329 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCC(C)(C)CCO ZINC000288150592 527172555 /nfs/dbraw/zinc/17/25/55/527172555.db2.gz MDUFZJJHWVQIQS-MRXNPFEDSA-N 0 0 302.418 2.329 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCc2cc(C)ccc2C1 ZINC000410606322 527175657 /nfs/dbraw/zinc/17/56/57/527175657.db2.gz JBSPSCZGKWAFQV-UHFFFAOYSA-N 0 0 300.402 2.304 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(F)c(C(C)=O)c1 ZINC000353953512 527180428 /nfs/dbraw/zinc/18/04/28/527180428.db2.gz WOQNWUDSJWBZOE-UHFFFAOYSA-N 0 0 306.337 2.391 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)Cn1cncn1 ZINC000413212740 527219810 /nfs/dbraw/zinc/21/98/10/527219810.db2.gz YZIOVNHQNHRHDV-GDBMZVCRSA-N 0 0 313.405 2.153 10 30 DEEERN C=CC[C@]1(C(=O)N[C@H](C)C#N)CCCN1C(=O)OC(C)(C)C ZINC000190402080 527227587 /nfs/dbraw/zinc/22/75/87/527227587.db2.gz JOSUYJRNYAOCKU-MLGOLLRUSA-N 0 0 307.394 2.360 10 30 DEEERN CC(C)(Cc1ccccc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000371733404 527234569 /nfs/dbraw/zinc/23/45/69/527234569.db2.gz USHQYFOTOQNFIP-QGZVFWFLSA-N 0 0 311.429 2.454 10 30 DEEERN C=CCc1ccc(OC(=O)[C@H]2CCCN2C(C)=O)c(OC)c1 ZINC000298787770 527246870 /nfs/dbraw/zinc/24/68/70/527246870.db2.gz CZVDIGYQMVWVJT-CQSZACIVSA-N 0 0 303.358 2.340 10 30 DEEERN C=CCc1ccc(OCC(=O)NC(C)(C)[C@H](C)O)c(OC)c1 ZINC000359611454 527249864 /nfs/dbraw/zinc/24/98/64/527249864.db2.gz FXGKZAHVJMGFBP-LBPRGKRZSA-N 0 0 307.390 2.078 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@H](C)c2cn[nH]c2)c(OC)c1 ZINC000339813854 527252850 /nfs/dbraw/zinc/25/28/50/527252850.db2.gz QAARGUVYGREUKZ-GFCCVEGCSA-N 0 0 315.373 2.403 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000417992311 527286873 /nfs/dbraw/zinc/28/68/73/527286873.db2.gz WMQAHESECDHJBX-GOEBONIOSA-N 0 0 302.422 2.482 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC000282274272 527316115 /nfs/dbraw/zinc/31/61/15/527316115.db2.gz MLHJOFFJTSQXPQ-AWEZNQCLSA-N 0 0 319.453 2.145 10 30 DEEERN C=CCCOCCNC(=O)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000342007843 527339867 /nfs/dbraw/zinc/33/98/67/527339867.db2.gz RHOUPCNAMVEIML-SFHVURJKSA-N 0 0 320.433 2.044 10 30 DEEERN C=CCn1c([C@H]2CCCO2)nnc1N1CCOC(C)(C)[C@H]1C ZINC000333268317 527359215 /nfs/dbraw/zinc/35/92/15/527359215.db2.gz VOGDZDLPGMGGQS-CHWSQXEVSA-N 0 0 306.410 2.319 10 30 DEEERN C=C[C@@H](C)NC(=O)N1CCc2cc(OC)c(OC)cc2CC1 ZINC000362379176 527403345 /nfs/dbraw/zinc/40/33/45/527403345.db2.gz IUHGHHFBIKJCBK-GFCCVEGCSA-N 0 0 304.390 2.389 10 30 DEEERN C#Cc1cc(F)c(NC(=O)C(=O)N2CCCC23CCC3)c(F)c1 ZINC000374923609 527431943 /nfs/dbraw/zinc/43/19/43/527431943.db2.gz FOFSXWHGZFJGJO-UHFFFAOYSA-N 0 0 318.323 2.430 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)Nc2ccnn2[C@H](C)C2CC2)c1 ZINC000192080633 527449190 /nfs/dbraw/zinc/44/91/90/527449190.db2.gz MUHJHOPFVBANBI-GFCCVEGCSA-N 0 0 322.368 2.413 10 30 DEEERN C=CCC[C@H](C(=O)N1CCN2CCOC[C@H]2C1)c1ccccc1 ZINC000375280695 527461984 /nfs/dbraw/zinc/46/19/84/527461984.db2.gz XNMZQJGOMOYXDR-MSOLQXFVSA-N 0 0 314.429 2.279 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CCCC)CCCC ZINC000425909055 527490574 /nfs/dbraw/zinc/49/05/74/527490574.db2.gz LWQLBKXNUPEILD-GJZGRUSLSA-N 0 0 310.438 2.123 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(C(=O)OC)c1 ZINC000424098207 527495235 /nfs/dbraw/zinc/49/52/35/527495235.db2.gz CJFJJEPDYYLGJB-JSGCOSHPSA-N 0 0 304.346 2.186 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCOc1cccc(F)c1 ZINC000425410008 527496105 /nfs/dbraw/zinc/49/61/05/527496105.db2.gz XBWLEWIXRBICHP-WFASDCNBSA-N 0 0 308.353 2.095 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCN1c1ccccc1 ZINC000424927150 527496707 /nfs/dbraw/zinc/49/67/07/527496707.db2.gz VRBLPVWIGGFPSB-XIRDDKMYSA-N 0 0 300.402 2.363 10 30 DEEERN C=CCN(C(=O)CCCOC)c1nc(C(=O)OCC)cs1 ZINC000337029342 527533150 /nfs/dbraw/zinc/53/31/50/527533150.db2.gz CLLNUMQNQWFXQH-UHFFFAOYSA-N 0 0 312.391 2.265 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000194544109 527535335 /nfs/dbraw/zinc/53/53/35/527535335.db2.gz SXZOWJYGCMSADQ-KRWDZBQOSA-N 0 0 314.389 2.494 10 30 DEEERN C=CCN(C/C=C\c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000255868478 527580537 /nfs/dbraw/zinc/58/05/37/527580537.db2.gz BDJMBVUWESJLBY-QKIRZYONSA-N 0 0 321.442 2.384 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H](CC)N1CCO[C@@H](CC)C1 ZINC000339252013 527586477 /nfs/dbraw/zinc/58/64/77/527586477.db2.gz DZXHKAPCAJLHEI-STQMWFEESA-N 0 0 322.371 2.453 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000193123117 527638831 /nfs/dbraw/zinc/63/88/31/527638831.db2.gz PSOJETHYSRHNGQ-OAHLLOKOSA-N 0 0 318.442 2.482 10 30 DEEERN CCN(CCC#N)C(=O)CN1CCC[C@@H]1c1csc(C)n1 ZINC000189771595 528358898 /nfs/dbraw/zinc/35/88/98/528358898.db2.gz FOFOKMIZCDDQKN-CQSZACIVSA-N 0 0 306.435 2.351 10 30 DEEERN CCN(C[C@@H](O)C(F)(F)F)C(=O)NCC1CCC(C#N)CC1 ZINC000442743171 528657915 /nfs/dbraw/zinc/65/79/15/528657915.db2.gz YJUWRMJOOKQRGI-HTAVTVPLSA-N 0 0 321.343 2.271 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)CN1CCO[C@@H](c2ccsc2)C1 ZINC000246437999 528693570 /nfs/dbraw/zinc/69/35/70/528693570.db2.gz DOHFRSSZUWBNSH-UKRRQHHQSA-N 0 0 321.446 2.130 10 30 DEEERN CC(=O)Nc1ccc(O)c(C(=O)N2CC3(C2)CCCOC3)c1 ZINC000329465892 528747526 /nfs/dbraw/zinc/74/75/26/528747526.db2.gz RPMFTXHAXRPUTB-UHFFFAOYSA-N 0 0 304.346 2.253 10 30 DEEERN CC1(C#N)CCN(C(=O)NC[C@@H]2COC3(CCCC3)O2)CC1 ZINC000371635713 528835992 /nfs/dbraw/zinc/83/59/92/528835992.db2.gz SZNCOZCLOGLTAU-CYBMUJFWSA-N 0 0 307.394 2.007 10 30 DEEERN CC1(C#N)CCN(C(=O)NCc2ccc(-n3ccnc3)nc2)CC1 ZINC000378607940 528838302 /nfs/dbraw/zinc/83/83/02/528838302.db2.gz OUOJWUAXIOKQSK-UHFFFAOYSA-N 0 0 324.388 2.103 10 30 DEEERN CCCn1nc(C)c(CN2CCN(C3CC3)[C@@H](C#N)C2)c1C ZINC000371325395 528876119 /nfs/dbraw/zinc/87/61/19/528876119.db2.gz DNMFLMVJEHQWPR-INIZCTEOSA-N 0 0 301.438 2.082 10 30 DEEERN CC1(C)CCCN(CC(=O)Nc2ccc3c(c2)OCO3)[C@H]1C#N ZINC000444729321 528932830 /nfs/dbraw/zinc/93/28/30/528932830.db2.gz GWPAVKPLQNSVPH-HNNXBMFYSA-N 0 0 315.373 2.368 10 30 DEEERN COc1cccc2c1CCN(C(=O)c1cnccc1C#N)CC2 ZINC000359097656 536940535 /nfs/dbraw/zinc/94/05/35/536940535.db2.gz QUELPDWKPDRBBN-UHFFFAOYSA-N 0 0 307.353 2.203 10 30 DEEERN C=C[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000187607454 622851146 /nfs/dbraw/zinc/85/11/46/622851146.db2.gz ALHKMNXVJIPWDU-NSHDSACASA-N 0 0 306.318 2.163 10 30 DEEERN C=C(C)[C@@H]1CC=C(COC(=O)CCC(=O)N2CCOCC2)CC1 ZINC000177693421 625062685 /nfs/dbraw/zinc/06/26/85/625062685.db2.gz VEJNINRUTQNOAX-MRXNPFEDSA-N 0 0 321.417 2.471 10 30 DEEERN CN(C(=O)c1cc(C#N)cn1C)c1ccc(Br)nc1 ZINC000177480480 625952348 /nfs/dbraw/zinc/95/23/48/625952348.db2.gz AOPCZJSNJLBQDG-UHFFFAOYSA-N 0 0 319.162 2.331 10 30 DEEERN C#C[C@@H](C)NC(=O)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000186073082 633038240 /nfs/dbraw/zinc/03/82/40/633038240.db2.gz XOLIYFGIHATCAQ-CYBMUJFWSA-N 0 0 305.447 2.159 10 30 DEEERN N#Cc1ccc(COC(=O)CN2CC(=O)Nc3ccccc32)cc1 ZINC000733612842 633246273 /nfs/dbraw/zinc/24/62/73/633246273.db2.gz WGWHVGSEGAXBAS-UHFFFAOYSA-N 0 0 321.336 2.060 10 30 DEEERN C#CCCNC(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000733633060 633248336 /nfs/dbraw/zinc/24/83/36/633248336.db2.gz PPNAKJIDUGXFOI-UHFFFAOYSA-N 0 0 304.350 2.413 10 30 DEEERN C=C(C)CNC(=S)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000733907963 633295850 /nfs/dbraw/zinc/29/58/50/633295850.db2.gz LWCBXNRUGNFCMT-CQSZACIVSA-N 0 0 303.431 2.222 10 30 DEEERN C=C(COC(=O)/C=C/c1ccc(OC)c(O)c1)C(=O)OCC ZINC000734028961 633312892 /nfs/dbraw/zinc/31/28/92/633312892.db2.gz HSMNCRXXRFTMSK-SOFGYWHQSA-N 0 0 306.314 2.077 10 30 DEEERN C=C(COC(=O)c1cccnc1N1CCCCC1)C(=O)OCC ZINC000734026450 633312920 /nfs/dbraw/zinc/31/29/20/633312920.db2.gz FRUWVHVPPAYUID-UHFFFAOYSA-N 0 0 318.373 2.348 10 30 DEEERN C=C(COC(=O)c1cc2c(c(OC)c1)O[C@@H](C)C2)C(=O)OCC ZINC000734027614 633313000 /nfs/dbraw/zinc/31/30/00/633313000.db2.gz ZOONVIVDORFHGY-NSHDSACASA-N 0 0 320.341 2.295 10 30 DEEERN C=C(COC(=O)C1=Cc2cccc(OC)c2OC1)C(=O)OCC ZINC000734030031 633313851 /nfs/dbraw/zinc/31/38/51/633313851.db2.gz QCFITSKLWOXMCG-UHFFFAOYSA-N 0 0 318.325 2.134 10 30 DEEERN C=C(COC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)C(=O)OCC ZINC000734033778 633314738 /nfs/dbraw/zinc/31/47/38/633314738.db2.gz WELJAPHHFCUZAM-LSDHHAIUSA-N 0 0 304.342 2.461 10 30 DEEERN N#C[C@H]1CN(C(=O)C[C@H]2CCc3ccccc32)CCN1C1CC1 ZINC000734393829 633366558 /nfs/dbraw/zinc/36/65/58/633366558.db2.gz WFRHCPABCFKYJP-WBVHZDCISA-N 0 0 309.413 2.305 10 30 DEEERN Cn1cc(C(=O)OCc2cc(Cl)ccc2OCC#N)cn1 ZINC000735338325 633503585 /nfs/dbraw/zinc/50/35/85/633503585.db2.gz WFMUSXRTGWLVMP-UHFFFAOYSA-N 0 0 305.721 2.333 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cc3cc(F)ccc3o2)CCN1C1CC1 ZINC000735441027 633509285 /nfs/dbraw/zinc/50/92/85/633509285.db2.gz TXQPSXAJCZVNDI-AWEZNQCLSA-N 0 0 313.332 2.384 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)C(=O)CCCSC)c1 ZINC000736004085 633561027 /nfs/dbraw/zinc/56/10/27/633561027.db2.gz BKBYXQNUJNKRTN-UHFFFAOYSA-N 0 0 304.415 2.208 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)C2(C(F)(F)F)CC2)c1 ZINC000726144562 636413951 /nfs/dbraw/zinc/41/39/51/636413951.db2.gz XCWHDBDVMUNVJF-UHFFFAOYSA-N 0 0 310.275 2.065 10 30 DEEERN C#Cc1cccc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)c1 ZINC000074043304 636650246 /nfs/dbraw/zinc/65/02/46/636650246.db2.gz KRIFXMDEDLQPJH-SJLPKXTDSA-N 0 0 319.364 2.221 10 30 DEEERN C#CCCCC(=O)Nc1cccnc1N1CCC(CO)CC1 ZINC000192350620 637539733 /nfs/dbraw/zinc/53/97/33/637539733.db2.gz QBVJRFSWNCCQQL-UHFFFAOYSA-N 0 0 301.390 2.032 10 30 DEEERN CCC(CC)(CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)SC ZINC000743698353 638168800 /nfs/dbraw/zinc/16/88/00/638168800.db2.gz XOPIBNOVEMFVRI-CQSZACIVSA-N 0 0 324.494 2.290 10 30 DEEERN C=CCNC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000744031225 638185411 /nfs/dbraw/zinc/18/54/11/638185411.db2.gz UNLDMAPBUGKPKC-RAIGVLPGSA-N 0 0 304.296 2.079 10 30 DEEERN N#Cc1cccc(S(=O)(=O)CCSC2CCOCC2)c1 ZINC000163182463 638364866 /nfs/dbraw/zinc/36/48/66/638364866.db2.gz NCELMMRPDDUEIB-UHFFFAOYSA-N 0 0 311.428 2.244 10 30 DEEERN COc1ccc(CNC(=O)N[C@H]2CCCSC2)cc1C#N ZINC000746774921 638377503 /nfs/dbraw/zinc/37/75/03/638377503.db2.gz DTVOIMDAYCKLMR-ZDUSSCGKSA-N 0 0 305.403 2.262 10 30 DEEERN CC(=O)N1CCC[C@H](C(=O)OCC#Cc2ccccc2Cl)C1 ZINC000747008126 638398623 /nfs/dbraw/zinc/39/86/23/638398623.db2.gz PPWBRCIUDWHIGR-HNNXBMFYSA-N 0 0 319.788 2.493 10 30 DEEERN CC[C@@H](C[C@H](C)CO)NC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747423666 638436597 /nfs/dbraw/zinc/43/65/97/638436597.db2.gz UHMUFEGAARAENM-WFASDCNBSA-N 0 0 319.405 2.163 10 30 DEEERN CCC[C@H](CCO)CNC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747431363 638436708 /nfs/dbraw/zinc/43/67/08/638436708.db2.gz RBPZJBNEBFLEDQ-CYBMUJFWSA-N 0 0 319.405 2.165 10 30 DEEERN COc1ccc(CNC(=O)N(C)Cc2ccncc2)cc1C#N ZINC000747432765 638437881 /nfs/dbraw/zinc/43/78/81/638437881.db2.gz QXDNPPHUGXOIPW-UHFFFAOYSA-N 0 0 310.357 2.303 10 30 DEEERN COc1ccc(CNC(=O)[C@@H](c2ccccc2)N(C)C)cc1C#N ZINC000747445923 638438823 /nfs/dbraw/zinc/43/88/23/638438823.db2.gz ZRSSLXDXBUFSRS-GOSISDBHSA-N 0 0 323.396 2.486 10 30 DEEERN C=CCCCC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O ZINC000748238928 638534852 /nfs/dbraw/zinc/53/48/52/638534852.db2.gz AUTFZBDQKJJQLA-ZDUSSCGKSA-N 0 0 311.378 2.464 10 30 DEEERN C[C@](O)(CNC(=O)Cc1cccc(C#N)c1)c1cccs1 ZINC000749412724 638646292 /nfs/dbraw/zinc/64/62/92/638646292.db2.gz FWFZHJXEGNDVIE-INIZCTEOSA-N 0 0 300.383 2.186 10 30 DEEERN Cc1nc2n(n1)CCN(Cc1cc(Cl)ccc1OCC#N)C2 ZINC000750058378 638708250 /nfs/dbraw/zinc/70/82/50/638708250.db2.gz RIRRIPFWIOITEL-UHFFFAOYSA-N 0 0 317.780 2.158 10 30 DEEERN CN(C(=O)COC(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000750431132 638743654 /nfs/dbraw/zinc/74/36/54/638743654.db2.gz PWWLMZKDWATNGO-UHFFFAOYSA-N 0 0 308.337 2.307 10 30 DEEERN N#Cc1cccc(CC(=O)OCC(=O)NC2CCCCCC2)c1 ZINC000750432410 638743974 /nfs/dbraw/zinc/74/39/74/638743974.db2.gz DGOFURPZVAHNKV-UHFFFAOYSA-N 0 0 314.385 2.483 10 30 DEEERN C#CC[C@H](OC(=O)CSCC(=O)N1CCCCC1)C1CC1 ZINC000750776061 639026738 /nfs/dbraw/zinc/02/67/38/639026738.db2.gz VEAJZOIFFVFPML-AWEZNQCLSA-N 0 0 309.431 2.077 10 30 DEEERN N#Cc1ccc(COC(=O)Cc2ccc3c(c2)NC(=O)C3)cc1 ZINC000752042507 639149907 /nfs/dbraw/zinc/14/99/07/639149907.db2.gz XPLKPYVSZDWXAF-UHFFFAOYSA-N 0 0 306.321 2.339 10 30 DEEERN C=C(C)COC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000752169389 639159930 /nfs/dbraw/zinc/15/99/30/639159930.db2.gz VFHHWIKVMRJFDK-GFCCVEGCSA-N 0 0 311.403 2.160 10 30 DEEERN C=CCCOCC(=O)OCCNc1ncnc2ccccc21 ZINC000752193136 639161878 /nfs/dbraw/zinc/16/18/78/639161878.db2.gz BIDYTXOYKZHLMY-UHFFFAOYSA-N 0 0 301.346 2.178 10 30 DEEERN C#CCOc1ccc(C(=O)O[C@@H](COC)C(F)(F)F)cc1 ZINC000752546472 639195669 /nfs/dbraw/zinc/19/56/69/639195669.db2.gz UMKJOUCGRFDYBL-LBPRGKRZSA-N 0 0 302.248 2.433 10 30 DEEERN C#CCCCS(=O)(=O)Oc1ccc(C)nc1Br ZINC000805065335 639433094 /nfs/dbraw/zinc/43/30/94/639433094.db2.gz VLVQBBDSSGHGOE-UHFFFAOYSA-N 0 0 318.192 2.275 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1c(F)cc(OC)cc1F)C(C)(C)C ZINC000805146836 639840433 /nfs/dbraw/zinc/84/04/33/639840433.db2.gz NAKFPCGNLAAHGB-GFCCVEGCSA-N 0 0 317.357 2.300 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(C)(C)C ZINC000805147109 639840567 /nfs/dbraw/zinc/84/05/67/639840567.db2.gz SAWNBBQMCMDIIM-CYBMUJFWSA-N 0 0 310.375 2.229 10 30 DEEERN C#C[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)C ZINC000805147458 639842958 /nfs/dbraw/zinc/84/29/58/639842958.db2.gz YDZAETDICKJHQK-CYBMUJFWSA-N 0 0 323.437 2.297 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NOCC(F)(F)F ZINC000805217166 640255830 /nfs/dbraw/zinc/25/58/30/640255830.db2.gz IHKZCOXPJKLIIP-LBPRGKRZSA-N 0 0 300.280 2.414 10 30 DEEERN C#CCN(C(=O)C[C@H](C)CC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000729334177 640486982 /nfs/dbraw/zinc/48/69/82/640486982.db2.gz JQMNLHRXCYZUDV-KBPBESRZSA-N 0 0 313.463 2.098 10 30 DEEERN C=CCOCC(=O)OCC(=O)c1cccc(Br)c1 ZINC000729766727 640840993 /nfs/dbraw/zinc/84/09/93/640840993.db2.gz WBRLJJLHIBUZLA-UHFFFAOYSA-N 0 0 313.147 2.378 10 30 DEEERN Cc1cc(C)n(CCC(=O)NCc2ccc(C#N)cc2F)n1 ZINC000729832930 640844151 /nfs/dbraw/zinc/84/41/51/640844151.db2.gz ULVVLEGZPLCVRE-UHFFFAOYSA-N 0 0 300.337 2.217 10 30 DEEERN N#Cc1cccc(CC(=O)OCCCC(=O)N2CCCCC2)c1 ZINC000805484412 641773890 /nfs/dbraw/zinc/77/38/90/641773890.db2.gz IIJGQUXNAGMQHD-UHFFFAOYSA-N 0 0 314.385 2.437 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](CO)CC1CC1 ZINC000805781888 643247900 /nfs/dbraw/zinc/24/79/00/643247900.db2.gz DIZCPYPKQKUUPC-SJORKVTESA-N 0 0 300.402 2.081 10 30 DEEERN C=CC[C@@H](NC(=O)C(=O)NCCCC1CC1)c1ccncc1 ZINC000805816192 643400763 /nfs/dbraw/zinc/40/07/63/643400763.db2.gz YWQQPAAQNQRLGA-OAHLLOKOSA-N 0 0 301.390 2.121 10 30 DEEERN COC(=O)c1ccoc1C(=O)OCc1cc(F)ccc1C#N ZINC000800266377 645248268 /nfs/dbraw/zinc/24/82/68/645248268.db2.gz BXDSQARFYOJKAP-UHFFFAOYSA-N 0 0 303.245 2.434 10 30 DEEERN COC(=O)c1ccoc1C(=O)OCC#Cc1ccc(F)cc1 ZINC000800266363 645248610 /nfs/dbraw/zinc/24/86/10/645248610.db2.gz BREMNPPSEMQECT-UHFFFAOYSA-N 0 0 302.257 2.414 10 30 DEEERN C#CCNC(=O)[C@H](C)N1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000800474494 645278397 /nfs/dbraw/zinc/27/83/97/645278397.db2.gz KIRIIZKLTFKKMA-GUYCJALGSA-N 0 0 306.356 2.143 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC000801137487 645345508 /nfs/dbraw/zinc/34/55/08/645345508.db2.gz KMDJFBDWZYTJNX-FUHWJXTLSA-N 0 0 300.377 2.181 10 30 DEEERN C#C[C@@H](NC(=O)Nc1ncc(C(F)(F)F)s1)[C@@H]1CCCO1 ZINC000801756392 645438482 /nfs/dbraw/zinc/43/84/82/645438482.db2.gz FVORIPNBFVHEBW-SFYZADRCSA-N 0 0 319.308 2.464 10 30 DEEERN COc1ccc(C(=O)C[C@@H](C)C(=O)OCCO[C@@H](C)C#N)cc1 ZINC000801862111 645453079 /nfs/dbraw/zinc/45/30/79/645453079.db2.gz OXJOQRQILMACFK-OLZOCXBDSA-N 0 0 319.357 2.376 10 30 DEEERN C=C[C@](C)(CCOC)COC(=O)c1cncc(-n2ccnn2)c1 ZINC000802211811 645500323 /nfs/dbraw/zinc/50/03/23/645500323.db2.gz UWGWNYSQKJWALR-MRXNPFEDSA-N 0 0 316.361 2.048 10 30 DEEERN C#Cc1cc(F)c(NCc2csc(CC(=O)NC)n2)c(F)c1 ZINC000802745329 645551891 /nfs/dbraw/zinc/55/18/91/645551891.db2.gz UAUPTPWGLPEOGL-UHFFFAOYSA-N 0 0 321.352 2.303 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000803522053 645667524 /nfs/dbraw/zinc/66/75/24/645667524.db2.gz WELAIOVKWFHMDP-CQSZACIVSA-N 0 0 311.341 2.298 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cnc2c(cnn2C)c1 ZINC000803526062 645668623 /nfs/dbraw/zinc/66/86/23/645668623.db2.gz ZWGGQVMYPPINMO-QGZVFWFLSA-N 0 0 318.380 2.333 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)NCC1CCCCC1 ZINC000803699075 645681553 /nfs/dbraw/zinc/68/15/53/645681553.db2.gz POISYUFXEFMFLC-CQSZACIVSA-N 0 0 303.402 2.277 10 30 DEEERN C=C(C)CN(CC)C(=O)COC(=O)c1cnc(Cl)c(F)c1 ZINC000803828963 645702715 /nfs/dbraw/zinc/70/27/15/645702715.db2.gz XZENQILCNCYTJV-UHFFFAOYSA-N 0 0 314.744 2.456 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]4C[C@@H]43)cc2C1=O ZINC000804293209 645751008 /nfs/dbraw/zinc/75/10/08/645751008.db2.gz KYCLBLUGPDSSTK-ABAIWWIYSA-N 0 0 310.353 2.093 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1ccc(F)cn1 ZINC000804464183 645775188 /nfs/dbraw/zinc/77/51/88/645775188.db2.gz JSHUMZGVPBHYES-UHFFFAOYSA-N 0 0 318.348 2.453 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(OC)ncn1 ZINC000806367305 645823187 /nfs/dbraw/zinc/82/31/87/645823187.db2.gz MXYQYZHHQISDET-CQSZACIVSA-N 0 0 310.357 2.241 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(OC)n(C)n1 ZINC000806433243 645829740 /nfs/dbraw/zinc/82/97/40/645829740.db2.gz HRXYELMWWSRVSK-CQSZACIVSA-N 0 0 312.373 2.185 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cn(C)nc1OC ZINC000806451731 645831843 /nfs/dbraw/zinc/83/18/43/645831843.db2.gz RUZAQOBYGVBWIN-CQSZACIVSA-N 0 0 312.373 2.185 10 30 DEEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000807074633 645909118 /nfs/dbraw/zinc/90/91/18/645909118.db2.gz QUWHTJARMLPQCU-CYBMUJFWSA-N 0 0 304.390 2.323 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccnc1C ZINC000807337252 645941974 /nfs/dbraw/zinc/94/19/74/645941974.db2.gz PLUKCYILMGZSFK-MRXNPFEDSA-N 0 0 321.380 2.079 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccn(Cc2ccccc2)n1 ZINC000807548298 645962145 /nfs/dbraw/zinc/96/21/45/645962145.db2.gz SSKJKHIWDCTBOH-UHFFFAOYSA-N 0 0 305.381 2.210 10 30 DEEERN CC(=NNC(=S)N[C@@H](C)C1CC1)c1cn2c(n1)CCCC2 ZINC000807975746 646014264 /nfs/dbraw/zinc/01/42/64/646014264.db2.gz YUAZOTVLTNBGME-JTQLQIEISA-N 0 0 305.451 2.206 10 30 DEEERN N#Cc1ccc(OCCNC(=O)C[C@@H]2CSCCS2)cc1 ZINC000156329191 646412923 /nfs/dbraw/zinc/41/29/23/646412923.db2.gz VOYKZUSOQKEABN-CQSZACIVSA-N 0 0 322.455 2.292 10 30 DEEERN C=CCn1c(C)nn(CN2CCC[C@@H]2c2cnn(C)c2)c1=S ZINC000171361177 646697735 /nfs/dbraw/zinc/69/77/35/646697735.db2.gz WCIIJEJNKKJRJN-CQSZACIVSA-N 0 0 318.450 2.437 10 30 DEEERN CC[C@@H](C#N)Oc1cc(CNC(=O)CSC)ccc1OC ZINC000172007377 646718651 /nfs/dbraw/zinc/71/86/51/646718651.db2.gz MIWKYDQQJLPDLH-LBPRGKRZSA-N 0 0 308.403 2.355 10 30 DEEERN C#CCCCNC(=O)[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000172937370 646755279 /nfs/dbraw/zinc/75/52/79/646755279.db2.gz UVEFWMIDHJRNBX-MRXNPFEDSA-N 0 0 300.402 2.279 10 30 DEEERN C[C@H](C#N)NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000173865417 646781024 /nfs/dbraw/zinc/78/10/24/646781024.db2.gz NXNPBZMUODNBLL-MRVPVSSYSA-N 0 0 315.251 2.439 10 30 DEEERN C#C[C@@H](C)OC(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000174434843 646811151 /nfs/dbraw/zinc/81/11/51/646811151.db2.gz SHZUWIINRVOCAI-QMTHXVAHSA-N 0 0 309.312 2.284 10 30 DEEERN Cn1cc(-c2ncc(C(=O)OCC3(CC#N)CC3)s2)cn1 ZINC000174740913 647153906 /nfs/dbraw/zinc/15/39/06/647153906.db2.gz BYTJUWVYRRAFQI-UHFFFAOYSA-N 0 0 302.359 2.394 10 30 DEEERN CC(=O)N1CSC[C@H]1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000153163467 647364722 /nfs/dbraw/zinc/36/47/22/647364722.db2.gz CLYHOGYXUQKSHX-CABCVRRESA-N 0 0 317.414 2.069 10 30 DEEERN C#CCOc1ccc(C(=O)N2CCOC[C@H]2C(F)(F)F)cc1 ZINC000741569748 647546686 /nfs/dbraw/zinc/54/66/86/647546686.db2.gz GRLRNJCELNEFEV-ZDUSSCGKSA-N 0 0 313.275 2.102 10 30 DEEERN C=C(C)CCOC(=O)c1ccc(OC)c(N2CCNC2=O)c1 ZINC000174806209 647581765 /nfs/dbraw/zinc/58/17/65/647581765.db2.gz AHIABTMGIRMKPD-UHFFFAOYSA-N 0 0 304.346 2.348 10 30 DEEERN C[C@@H]1CCCC[C@H]1NC(=S)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732626777 647632855 /nfs/dbraw/zinc/63/28/55/647632855.db2.gz OKEKYYMMDQDWNI-BPLDGKMQSA-N 0 0 306.479 2.112 10 30 DEEERN N#C[C@H]1CN(Cc2c(O)ccc3ccncc32)CCN1C1CC1 ZINC000732673140 647639904 /nfs/dbraw/zinc/63/99/04/647639904.db2.gz WDVBCLLRADOYEZ-HNNXBMFYSA-N 0 0 308.385 2.113 10 30 DEEERN C[C@H](Cc1ccsc1)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732673588 647640030 /nfs/dbraw/zinc/64/00/30/647640030.db2.gz AFZHJCFHJVEDRS-DOMZBBRYSA-N 0 0 318.446 2.061 10 30 DEEERN N#C[C@H](COC(=O)CCOC[C@H]1CCCO1)Cc1ccccc1 ZINC000175375700 648346191 /nfs/dbraw/zinc/34/61/91/648346191.db2.gz WPSRKUBGHCQIQV-IAGOWNOFSA-N 0 0 317.385 2.498 10 30 DEEERN CCN1C[C@@H](COC(=O)c2ccc(C3(C#N)CC3)cc2)CC1=O ZINC000180056010 648453179 /nfs/dbraw/zinc/45/31/79/648453179.db2.gz HFXRUXHHHAIIFK-ZDUSSCGKSA-N 0 0 312.369 2.267 10 30 DEEERN CO[C@H](C(=O)OCCNc1ncccc1C#N)c1ccccc1 ZINC000068603686 648486627 /nfs/dbraw/zinc/48/66/27/648486627.db2.gz HKKFLBXNZSZDEB-HNNXBMFYSA-N 0 0 311.341 2.296 10 30 DEEERN C=C[C@@H](CC)OC(=O)CN1C(=O)NC2(CCC(CC)CC2)C1=O ZINC000181245831 648592654 /nfs/dbraw/zinc/59/26/54/648592654.db2.gz XPQXPGCBRHQSOC-JZLYGMAVSA-N 0 0 322.405 2.385 10 30 DEEERN Cc1ccn2ncc(C(=O)OCCOc3ccc(C#N)cc3)c2n1 ZINC000069590395 648691369 /nfs/dbraw/zinc/69/13/69/648691369.db2.gz FQVQUWUXDFAWKB-UHFFFAOYSA-N 0 0 322.324 2.145 10 30 DEEERN Cc1cccc(C(=O)OCC2(C#N)CCOCC2)c1[N+](=O)[O-] ZINC000183937499 649204477 /nfs/dbraw/zinc/20/44/77/649204477.db2.gz WPJIKKBKCUUIGA-UHFFFAOYSA-N 0 0 304.302 2.380 10 30 DEEERN N#CC1(COC(=O)CCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000183959101 649210294 /nfs/dbraw/zinc/21/02/94/649210294.db2.gz ATADDVKQRDBCCP-UHFFFAOYSA-N 0 0 318.329 2.391 10 30 DEEERN C#CCCNC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F ZINC000733246319 649463165 /nfs/dbraw/zinc/46/31/65/649463165.db2.gz ABKQZNMGEQMOQL-UHFFFAOYSA-N 0 0 308.263 2.039 10 30 DEEERN C#CCCNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000733246953 649463411 /nfs/dbraw/zinc/46/34/11/649463411.db2.gz XBKPXGMRGQDFJD-UHFFFAOYSA-N 0 0 314.772 2.303 10 30 DEEERN C#CCCNC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 ZINC000733287618 649537457 /nfs/dbraw/zinc/53/74/57/649537457.db2.gz KDOXXMUKVBBQFU-UHFFFAOYSA-N 0 0 308.337 2.331 10 30 DEEERN C#CCCNC(=O)N1CCC[C@@H](C(=O)NCCCCCC)C1 ZINC000733355614 649553166 /nfs/dbraw/zinc/55/31/66/649553166.db2.gz AWIZIQHCFGZJIG-OAHLLOKOSA-N 0 0 307.438 2.128 10 30 DEEERN C#CCOc1cccc(NC(=O)C(=O)N2CCCC2(C)C)c1 ZINC000108613554 651672710 /nfs/dbraw/zinc/67/27/10/651672710.db2.gz DIWYUKBRHVFESI-UHFFFAOYSA-N 0 0 300.358 2.038 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Oc1ccc(N2CCCC2=O)cc1 ZINC000080971594 683987179 /nfs/dbraw/zinc/98/71/79/683987179.db2.gz PAGFLCJHOGQRKI-UHFFFAOYSA-N 0 0 309.325 2.243 10 30 DEEERN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(C#N)cn1C ZINC000081080654 683988234 /nfs/dbraw/zinc/98/82/34/683988234.db2.gz JVTBPXULLJQGDH-LBPRGKRZSA-N 0 0 323.352 2.031 10 30 DEEERN C=CCOc1ccc(C(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000086059561 684011451 /nfs/dbraw/zinc/01/14/51/684011451.db2.gz OLIGITWPXIUGGL-CYBMUJFWSA-N 0 0 315.369 2.419 10 30 DEEERN C#CCN1CCN(C(=O)CCCc2cc(F)ccc2F)CC1 ZINC000090615687 684032554 /nfs/dbraw/zinc/03/25/54/684032554.db2.gz FTSHTEAYKNWLAN-UHFFFAOYSA-N 0 0 306.356 2.065 10 30 DEEERN CC(C)NC(=O)[C@H](C#N)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000118143022 684070212 /nfs/dbraw/zinc/07/02/12/684070212.db2.gz PMWVMHADPYROSM-GXTWGEPZSA-N 0 0 300.358 2.176 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nccc1[N+](=O)[O-] ZINC000119586137 684084216 /nfs/dbraw/zinc/08/42/16/684084216.db2.gz VUNDYWCVWMDIQB-UHFFFAOYSA-N 0 0 317.305 2.345 10 30 DEEERN C#CCCCCC(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000120067898 684091124 /nfs/dbraw/zinc/09/11/24/684091124.db2.gz PJZOQZGITHSNQR-CQSZACIVSA-N 0 0 311.385 2.095 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)N[C@@H](CC)c2nccs2)c1 ZINC000120386982 684095513 /nfs/dbraw/zinc/09/55/13/684095513.db2.gz FFJZSBYRMKBJTA-ZDUSSCGKSA-N 0 0 313.382 2.330 10 30 DEEERN C[C@@H](NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)C(C)(C)C ZINC000123170182 684122896 /nfs/dbraw/zinc/12/28/96/684122896.db2.gz OLAJXGKNDCCRLC-NWDGAFQWSA-N 0 0 317.389 2.467 10 30 DEEERN C#CCN(C(=O)NCc1csc(N(C)C)n1)C1CCCC1 ZINC000123572472 684126496 /nfs/dbraw/zinc/12/64/96/684126496.db2.gz XZMYZNVDTLOTIW-UHFFFAOYSA-N 0 0 306.435 2.297 10 30 DEEERN CS(=O)(=O)c1csc(C(=O)Oc2ccc(C#N)cc2)c1 ZINC000130011682 684184301 /nfs/dbraw/zinc/18/43/01/684184301.db2.gz MBHJOJWHAHVHIM-UHFFFAOYSA-N 0 0 307.352 2.242 10 30 DEEERN C=CCOCCCC(=O)OC[C@@H]1CCCN1c1ccc(C)nn1 ZINC000130251434 684187069 /nfs/dbraw/zinc/18/70/69/684187069.db2.gz HLNPHLAYLUOGNY-HNNXBMFYSA-N 0 0 319.405 2.280 10 30 DEEERN COc1ccc2c(CC(=O)[C@H](C#N)C(=O)NC(C)C)coc2c1 ZINC000130835772 684192981 /nfs/dbraw/zinc/19/29/81/684192981.db2.gz LOXNVLXYJHVOBP-AWEZNQCLSA-N 0 0 314.341 2.217 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CN1CCOC(C)(C)C1 ZINC000131049327 684195749 /nfs/dbraw/zinc/19/57/49/684195749.db2.gz ZKOAQYSRBDQAQD-UHFFFAOYSA-N 0 0 311.389 2.194 10 30 DEEERN C#CCN(CC(=O)Nc1ccc(C(=O)OC)cc1)C1CCCC1 ZINC000155862753 684281794 /nfs/dbraw/zinc/28/17/94/684281794.db2.gz CDJTZULBJIRAFA-UHFFFAOYSA-N 0 0 314.385 2.290 10 30 DEEERN C=CCC[C@@H](OC(=O)CSc1nnnn1C1CC1)C1CC1 ZINC000159669594 684318891 /nfs/dbraw/zinc/31/88/91/684318891.db2.gz WZDXXYIFSSUTQB-GFCCVEGCSA-N 0 0 308.407 2.388 10 30 DEEERN C#CCCCNC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000179065859 684333731 /nfs/dbraw/zinc/33/37/31/684333731.db2.gz UEFMXMGPWHBFMX-IUODEOHRSA-N 0 0 308.328 2.196 10 30 DEEERN C=C[C@H](C)OC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1 ZINC000187517835 684338858 /nfs/dbraw/zinc/33/88/58/684338858.db2.gz DPVCTGWLQZGBLV-LBPRGKRZSA-N 0 0 311.403 2.447 10 30 DEEERN C=C[C@H](C)OC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000187635664 684340915 /nfs/dbraw/zinc/34/09/15/684340915.db2.gz HJJPMHXRGYXATI-LBPRGKRZSA-N 0 0 308.399 2.457 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NC[C@H](O)c1ccccc1OC ZINC000188435505 684355799 /nfs/dbraw/zinc/35/57/99/684355799.db2.gz ANYBWHYYINCOMR-YOEHRIQHSA-N 0 0 307.390 2.074 10 30 DEEERN CC[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CCN1CC(F)F ZINC000245758853 685118075 /nfs/dbraw/zinc/11/80/75/685118075.db2.gz PPELZJGWIRXLNU-HZPDHXFCSA-N 0 0 323.387 2.253 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CN1CCO[C@@H](C)[C@H]1C ZINC000246908224 685138668 /nfs/dbraw/zinc/13/86/68/685138668.db2.gz GFCMENYLPNXTAA-OLZOCXBDSA-N 0 0 311.389 2.192 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=O)/C=C\c1cncc(O)c1 ZINC000588408429 777094855 /nfs/dbraw/zinc/09/48/55/777094855.db2.gz JRXCJAOOHMOURJ-FPLPWBNLSA-N 0 0 323.352 2.355 10 30 DEEERN CC[C@@H](NS(=O)(=O)c1ccc(C#N)s1)[C@H]1CCCOC1 ZINC000723841791 777182796 /nfs/dbraw/zinc/18/27/96/777182796.db2.gz WQURZUNRZVCBTQ-CMPLNLGQSA-N 0 0 314.432 2.103 10 30 DEEERN CN(C)C(=O)COc1ccc(C(=O)/C=C\c2cocn2)cc1 ZINC000588561432 777417906 /nfs/dbraw/zinc/41/79/06/777417906.db2.gz OOMPGXNCOJTTGX-YVMONPNESA-N 0 0 300.314 2.038 10 30 DEEERN C#Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)nc1 ZINC000728861179 778623894 /nfs/dbraw/zinc/62/38/94/778623894.db2.gz MEPFHMZMVHMKKP-UHFFFAOYSA-N 0 0 305.381 2.462 10 30 DEEERN CC(C)(O)[C@@H]1CCN(c2ncc(Br)cc2C#N)C1 ZINC000721837942 779349137 /nfs/dbraw/zinc/34/91/37/779349137.db2.gz NKMZCUICPAXXIP-SNVBAGLBSA-N 0 0 310.195 2.313 10 30 DEEERN N#Cc1sc(NCC[C@@H]2CCCS2(=O)=O)nc1Cl ZINC000714360683 792311480 /nfs/dbraw/zinc/31/14/80/792311480.db2.gz KVBCRIZRLZTCAE-ZETCQYMHSA-N 0 0 305.812 2.047 10 30 DEEERN C#CC[C@H](COC)NC(=O)Cc1ccccc1Br ZINC000716812403 793008130 /nfs/dbraw/zinc/00/81/30/793008130.db2.gz UDJKTMRXZMVDQW-GFCCVEGCSA-N 0 0 310.191 2.146 10 30 DEEERN C#CC[C@@H](COC)NC(=O)Cc1ccc(Br)cc1 ZINC000716850193 793009918 /nfs/dbraw/zinc/00/99/18/793009918.db2.gz XPXYMCWRZAUFTD-ZDUSSCGKSA-N 0 0 310.191 2.146 10 30 DEEERN C=CCN1CCC(NS(=O)(=O)/C=C/c2ccccc2F)CC1 ZINC000800046521 799301906 /nfs/dbraw/zinc/30/19/06/799301906.db2.gz AZJCQPOHSHVVBE-UKTHLTGXSA-N 0 0 324.421 2.366 10 30 DEEERN C#CC[C@@H](CO)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000717771037 799469605 /nfs/dbraw/zinc/46/96/05/799469605.db2.gz WBDDCGDCKQFYHZ-ONGXEEELSA-N 0 0 316.184 2.261 10 30 DEEERN CC1(NS(=O)(=O)c2ccc(F)c(C#N)c2)CC(F)(F)C1 ZINC000720993433 1085282390 /nfs/dbraw/zinc/28/23/90/1085282390.db2.gz KOOMIDCNFYHWDY-UHFFFAOYSA-N 0 0 304.293 2.163 10 30 DEEERN Cc1nnc(NCc2cn(C)nc2Br)c(C#N)c1C ZINC000720681234 1085925477 /nfs/dbraw/zinc/92/54/77/1085925477.db2.gz KXSNUJFPIXVOEN-UHFFFAOYSA-N 0 0 321.182 2.073 10 30 DEEERN N#Cc1ccc(CS(=O)(=O)NCC[C@@H]2CCSC2)cc1 ZINC000704786642 1086590606 /nfs/dbraw/zinc/59/06/06/1086590606.db2.gz IHZQFYANLJTIQN-CYBMUJFWSA-N 0 0 310.444 2.121 10 30 DEEERN C#CC1(O)CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000708112551 1086677238 /nfs/dbraw/zinc/67/72/38/1086677238.db2.gz HVGFATLDVQAGEA-UHFFFAOYSA-N 0 0 308.175 2.049 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000076854686 185047227 /nfs/dbraw/zinc/04/72/27/185047227.db2.gz RIOINEWAWBJVKE-UHFFFAOYSA-N 0 0 317.382 2.430 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc([S@](C)=O)c(F)c1 ZINC000278431906 214147101 /nfs/dbraw/zinc/14/71/01/214147101.db2.gz ZGDNVSARJSKQSJ-DAKYAEBGSA-N 0 0 311.378 2.483 10 30 DEEERN C=C(C)Cn1c(-c2cccn2C)nnc1N1CC2(C1)CCCO2 ZINC000624966371 365602075 /nfs/dbraw/zinc/60/20/75/365602075.db2.gz QOTODXMRBLJDBK-UHFFFAOYSA-N 0 0 313.405 2.229 10 30 DEEERN C=CC[C@H](C)NS(=O)(=O)C[C@H](OC)c1ccc(F)cc1 ZINC000624975073 365604864 /nfs/dbraw/zinc/60/48/64/365604864.db2.gz QSIFGBYJMGKWFB-FZMZJTMJSA-N 0 0 301.383 2.397 10 30 DEEERN C=C(C)Cn1c(CC2CC2)nnc1N1CCO[C@@](C)(COC)C1 ZINC000624977789 365605171 /nfs/dbraw/zinc/60/51/71/365605171.db2.gz JFRXEBHMDCYMLI-QGZVFWFLSA-N 0 0 320.437 2.048 10 30 DEEERN C=C(C)Cn1c(C2CCCC2)nnc1N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000624981775 365606441 /nfs/dbraw/zinc/60/64/41/365606441.db2.gz XFBBABKYIACTID-OKILXGFUSA-N 0 0 317.437 2.212 10 30 DEEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[C@H](C)[C@@H](F)C1 ZINC000624990502 365609093 /nfs/dbraw/zinc/60/90/93/365609093.db2.gz DDQMGYBOPXGXQX-AAEUAGOBSA-N 0 0 304.373 2.429 10 30 DEEERN C=CCCCNS(=O)(=O)C[C@@H](Cc1ccc(F)cc1)OC ZINC000625169436 365669217 /nfs/dbraw/zinc/66/92/17/365669217.db2.gz NJSWBWRFARKSFU-OAHLLOKOSA-N 0 0 315.410 2.269 10 30 DEEERN C#CCN(CCC)S(=O)(=O)c1cc(N)c(C)cc1Cl ZINC000164426590 197652900 /nfs/dbraw/zinc/65/29/00/197652900.db2.gz MNOQKPRGQCWXCU-UHFFFAOYSA-N 0 0 300.811 2.265 10 30 DEEERN CN(c1ccc(C(F)(F)F)c(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000164421026 197653081 /nfs/dbraw/zinc/65/30/81/197653081.db2.gz NPGBGNFBQDSBSB-NSHDSACASA-N 0 0 318.320 2.200 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)CCc1ccc(O)cc1 ZINC000612618047 361875621 /nfs/dbraw/zinc/87/56/21/361875621.db2.gz NSEMYXIMJONFFU-GUYCJALGSA-N 0 0 318.417 2.300 10 30 DEEERN N#Cc1ccc(CNC(=O)N2CCOCC3(CCC3)C2)c(F)c1 ZINC000612771651 361913990 /nfs/dbraw/zinc/91/39/90/361913990.db2.gz DGNKBIMSXMISTP-UHFFFAOYSA-N 0 0 317.364 2.409 10 30 DEEERN C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1CC1 ZINC000612926605 361952779 /nfs/dbraw/zinc/95/27/79/361952779.db2.gz KBAFKHKAHXBNSJ-HNNXBMFYSA-N 0 0 320.437 2.221 10 30 DEEERN CC(C)CCOCCN1CCN(c2ncccc2C#N)CC1 ZINC000079389193 185167896 /nfs/dbraw/zinc/16/78/96/185167896.db2.gz MCCGWGNZRBZERX-UHFFFAOYSA-N 0 0 302.422 2.138 10 30 DEEERN CN(CCC#N)C(=O)COc1ccc(Br)c(F)c1 ZINC000087430640 185224522 /nfs/dbraw/zinc/22/45/22/185224522.db2.gz PAXUKUIRYWBYGM-UHFFFAOYSA-N 0 0 315.142 2.339 10 30 DEEERN CCc1nnsc1C(=O)Nc1ccccc1C#CCCO ZINC000087456323 185225567 /nfs/dbraw/zinc/22/55/67/185225567.db2.gz VJURHZVPRPMVSB-UHFFFAOYSA-N 0 0 301.371 2.087 10 30 DEEERN Cc1ncc(CNC(=O)c2cc(C#CCO)ccc2C)s1 ZINC000087746138 185231129 /nfs/dbraw/zinc/23/11/29/185231129.db2.gz JMSBUZITXFHFHP-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN Cc1ccc(C#CCCO)cc1C(=O)N1CCCSCC1 ZINC000087746072 185231326 /nfs/dbraw/zinc/23/13/26/185231326.db2.gz HJPAQZSKTVGOLJ-UHFFFAOYSA-N 0 0 303.427 2.308 10 30 DEEERN CC[C@H](C#N)S(=O)(=O)NCc1cccc(Br)c1 ZINC000088474198 185252387 /nfs/dbraw/zinc/25/23/87/185252387.db2.gz HCWCPXJTKAIKAC-LLVKDONJSA-N 0 0 317.208 2.171 10 30 DEEERN Cc1ncc(CNC(=O)c2cccc(C#CCO)c2C)s1 ZINC000088443268 185251035 /nfs/dbraw/zinc/25/10/35/185251035.db2.gz DFAIKNAKPHDWGR-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN N#C[C@H](C(=O)Nc1cnc(Br)cn1)c1ccccc1 ZINC000088446455 185251160 /nfs/dbraw/zinc/25/11/60/185251160.db2.gz FXGMOAINBFWLOI-JTQLQIEISA-N 0 0 317.146 2.485 10 30 DEEERN N#Cc1cc(C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)c[nH]1 ZINC000181332715 199282452 /nfs/dbraw/zinc/28/24/52/199282452.db2.gz ZROHWEOVBTVNJP-AWEZNQCLSA-N 0 0 324.388 2.182 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](C)c1ncc(C)s1 ZINC000613496226 362129051 /nfs/dbraw/zinc/12/90/51/362129051.db2.gz WBADFTOJMBAUDJ-MFKMUULPSA-N 0 0 309.435 2.142 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(CO)c(Cl)c1 ZINC000613589302 362155295 /nfs/dbraw/zinc/15/52/95/362155295.db2.gz MORPZTBVVFCZDD-AWEZNQCLSA-N 0 0 310.781 2.242 10 30 DEEERN C=C(C)[C@@H](NC(=O)Cc1cnnn1C)c1ccc(F)c(F)c1 ZINC000613610058 362162258 /nfs/dbraw/zinc/16/22/58/362162258.db2.gz MBNUNUPTCVKZHV-OAHLLOKOSA-N 0 0 306.316 2.069 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)c1cc(OC)cc(OC)c1 ZINC000613844484 362229904 /nfs/dbraw/zinc/22/99/04/362229904.db2.gz ATVHFUJKYIPROT-MRXNPFEDSA-N 0 0 320.389 2.138 10 30 DEEERN C=CCN1CC[C@H](N(C)Cc2ccncc2Br)C1=O ZINC000625388751 365758304 /nfs/dbraw/zinc/75/83/04/365758304.db2.gz YRBMDLDGAZEZCV-ZDUSSCGKSA-N 0 0 324.222 2.063 10 30 DEEERN CN(C)c1ccc(CN2CCN(C3CC3)[C@H](C#N)C2)cc1F ZINC000371332866 529780448 /nfs/dbraw/zinc/78/04/48/529780448.db2.gz BJYQAEDXLJECIC-OAHLLOKOSA-N 0 0 302.397 2.064 10 30 DEEERN C[C@@H](CC#N)N(C)C(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000103441225 185451761 /nfs/dbraw/zinc/45/17/61/185451761.db2.gz KQWZOHBUMMUSBK-CMPLNLGQSA-N 0 0 321.327 2.078 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(F)c(C(C)=O)c1 ZINC000614692555 362438880 /nfs/dbraw/zinc/43/88/80/362438880.db2.gz FPDYGAGMVRLBOO-OAHLLOKOSA-N 0 0 306.337 2.438 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1O ZINC000614825480 362470802 /nfs/dbraw/zinc/47/08/02/362470802.db2.gz HYVGWYRNDGYSOH-XQQFMLRXSA-N 0 0 319.405 2.469 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)Cc1ccccc1N(C)C ZINC000614942059 362494660 /nfs/dbraw/zinc/49/46/60/362494660.db2.gz DDWFNKNBJKHRKC-INIZCTEOSA-N 0 0 317.433 2.182 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1oc(CCC)nc1C ZINC000615201758 362555961 /nfs/dbraw/zinc/55/59/61/362555961.db2.gz JINDSKVQSVHIJH-ZDUSSCGKSA-N 0 0 307.394 2.023 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CC[C@@H](c2ccco2)C1 ZINC000625485698 365804985 /nfs/dbraw/zinc/80/49/85/365804985.db2.gz VJZOSDXMNGLSRQ-CYBMUJFWSA-N 0 0 304.390 2.314 10 30 DEEERN COCc1nc(NCc2ccc(C#N)cc2F)cc(OC)n1 ZINC000615494370 362620194 /nfs/dbraw/zinc/62/01/94/362620194.db2.gz WLUZCPCAKDXWMM-UHFFFAOYSA-N 0 0 302.309 2.254 10 30 DEEERN C=CCOCCNC(=O)Nc1cc(C(=O)OC)c(C)cc1C ZINC000615989077 362746945 /nfs/dbraw/zinc/74/69/45/362746945.db2.gz HCOPGOPWPNAZHD-UHFFFAOYSA-N 0 0 306.362 2.414 10 30 DEEERN C[C@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)CCCCC#N ZINC000068911668 190789008 /nfs/dbraw/zinc/78/90/08/190789008.db2.gz POGKJNYYNVFVSL-GOEBONIOSA-N 0 0 322.430 2.472 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)Cc1cc(C(=O)OC)c(C)o1 ZINC000279664547 215044969 /nfs/dbraw/zinc/04/49/69/215044969.db2.gz DSJGGUNSQUKAOU-UKRRQHHQSA-N 0 0 321.373 2.314 10 30 DEEERN CN[C@@](C#N)(CSc1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000069094627 190798810 /nfs/dbraw/zinc/79/88/10/190798810.db2.gz RJNJJANOAWXUQT-AWEZNQCLSA-N 0 0 310.444 2.074 10 30 DEEERN C=CC[C@H]1CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000625704292 365877245 /nfs/dbraw/zinc/87/72/45/365877245.db2.gz XJPXMXGVIJNZPB-NSHDSACASA-N 0 0 314.838 2.385 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000616463109 362865236 /nfs/dbraw/zinc/86/52/36/362865236.db2.gz QXSKRLGHGUJBEW-BRWVUGGUSA-N 0 0 300.402 2.377 10 30 DEEERN N#CCc1ccc(NS(=O)(=O)c2cccc(F)c2N)cc1 ZINC000070198768 190871321 /nfs/dbraw/zinc/87/13/21/190871321.db2.gz PTWGWGIABYHDNE-UHFFFAOYSA-N 0 0 305.334 2.275 10 30 DEEERN N#Cc1ccc([C@@H]2CCN(S(N)(=O)=O)c3ccccc32)cc1 ZINC000616676519 362907409 /nfs/dbraw/zinc/90/74/09/362907409.db2.gz NPSJLULZCMWROW-AWEZNQCLSA-N 0 0 313.382 2.104 10 30 DEEERN N#C[C@H](NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1)C1CC1 ZINC000130452067 185968462 /nfs/dbraw/zinc/96/84/62/185968462.db2.gz QRLVPDITLZPJAG-AWEZNQCLSA-N 0 0 309.325 2.308 10 30 DEEERN C[C@H](C(=O)Nc1ccccc1C#N)S(=O)(=O)c1cccs1 ZINC000084241869 192415405 /nfs/dbraw/zinc/41/54/05/192415405.db2.gz QSGLPDXLRNIKFG-SNVBAGLBSA-N 0 0 320.395 2.421 10 30 DEEERN C=CCN(C[C@@H](C)C(=O)OC)C(=O)COc1ccc(CC)cc1 ZINC000071634183 190995189 /nfs/dbraw/zinc/99/51/89/190995189.db2.gz LNYFZLNZWVZONS-CQSZACIVSA-N 0 0 319.401 2.452 10 30 DEEERN N#Cc1cccc(NC(=O)C(=O)NC/C=C\c2ccccc2)c1 ZINC000255642269 282655699 /nfs/dbraw/zinc/65/56/99/282655699.db2.gz KAYHUURQXJXYCA-UITAMQMPSA-N 0 0 305.337 2.326 10 30 DEEERN CC(=O)NCCN1C(=O)c2c(ccc(Cl)c2Cl)C1C#N ZINC000071681871 191006866 /nfs/dbraw/zinc/00/68/66/191006866.db2.gz LYEBTQMFMRFROE-JTQLQIEISA-N 0 0 312.156 2.150 10 30 DEEERN COC(=O)[C@H](C)N1C(=O)c2ccc(C(F)(F)F)cc2C1C#N ZINC000071680960 191007042 /nfs/dbraw/zinc/00/70/42/191007042.db2.gz ICYNSDLFQIAYEE-CPCISQLKSA-N 0 0 312.247 2.287 10 30 DEEERN C[C@@H]1[C@H](C)SCCN1C(=O)c1ccc(C#CCCO)s1 ZINC000133634161 186001862 /nfs/dbraw/zinc/00/18/62/186001862.db2.gz DDRSCKAXGFVPBQ-NEPJUHHUSA-N 0 0 309.456 2.448 10 30 DEEERN C=CCC[C@H](c1ccccc1)N1C(=O)N[C@H](C(=O)OCC)C1=O ZINC000277299971 213431163 /nfs/dbraw/zinc/43/11/63/213431163.db2.gz VEBYVOUEGZJGKM-KGLIPLIRSA-N 0 0 316.357 2.177 10 30 DEEERN N#Cc1cccc(N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)n1 ZINC000072153084 191057183 /nfs/dbraw/zinc/05/71/83/191057183.db2.gz VGFXFOYSQDTRBM-HNNXBMFYSA-N 0 0 310.332 2.305 10 30 DEEERN C[C@@H]1CCC[C@@H](C)N1NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000147788454 186041951 /nfs/dbraw/zinc/04/19/51/186041951.db2.gz YNLOPBFXKNLMGF-GHMZBOCLSA-N 0 0 311.382 2.154 10 30 DEEERN Cc1ccc(C(=O)NCc2sccc2C#CCO)c(C)n1 ZINC000148539007 186044816 /nfs/dbraw/zinc/04/48/16/186044816.db2.gz RJHAADSVBLPYBW-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN Cn1cc(Cl)cc1C(=O)NCc1sccc1C#CCCO ZINC000148601782 186045205 /nfs/dbraw/zinc/04/52/05/186045205.db2.gz DBNVERBTEHFSNY-UHFFFAOYSA-N 0 0 322.817 2.404 10 30 DEEERN C=C(C)COCCNc1ccc(S(=O)(=O)NCCC)cc1 ZINC000164027297 186146187 /nfs/dbraw/zinc/14/61/87/186146187.db2.gz NJFVBNSAVPSDEP-UHFFFAOYSA-N 0 0 312.435 2.380 10 30 DEEERN Cc1nnsc1C(=O)Nc1cc(C)ccc1C#CCCO ZINC000164220975 186152923 /nfs/dbraw/zinc/15/29/23/186152923.db2.gz PCOWLXHTLDNMPK-UHFFFAOYSA-N 0 0 301.371 2.141 10 30 DEEERN Cc1cc(S(=O)(=O)Nc2ccc(C#N)cc2)cc(N)c1F ZINC000164458697 186159310 /nfs/dbraw/zinc/15/93/10/186159310.db2.gz GPHVPIKVTRWRKI-UHFFFAOYSA-N 0 0 305.334 2.389 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000617039838 363006851 /nfs/dbraw/zinc/00/68/51/363006851.db2.gz MJNTXOVMWSEIHX-IXIBIKRGSA-N 0 0 305.418 2.479 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CC1(CS(C)(=O)=O)CC1 ZINC000617039448 363007039 /nfs/dbraw/zinc/00/70/39/363007039.db2.gz HMYPLQJUJFSKDP-UONOGXRCSA-N 0 0 313.463 2.452 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ccncc1 ZINC000617042791 363007603 /nfs/dbraw/zinc/00/76/03/363007603.db2.gz VYVCRUOGIDFLQI-DZGCQCFKSA-N 0 0 301.390 2.063 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(C)cc(C)nc1=O ZINC000617042731 363007956 /nfs/dbraw/zinc/00/79/56/363007956.db2.gz VITXPCQBYOCVBH-CABCVRRESA-N 0 0 303.406 2.111 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)NCCSCC(=O)OC ZINC000595494832 358464470 /nfs/dbraw/zinc/46/44/70/358464470.db2.gz QHYHOJHSWACXRK-QWHCGFSZSA-N 0 0 314.451 2.327 10 30 DEEERN C=CCCC1(CNC(=O)Cn2cc(C(C)=O)nn2)CCCC1 ZINC000617418903 363129095 /nfs/dbraw/zinc/12/90/95/363129095.db2.gz MRFUQIOHZCKWIK-UHFFFAOYSA-N 0 0 304.394 2.124 10 30 DEEERN N#CCNC(=O)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O ZINC000072450660 191170059 /nfs/dbraw/zinc/17/00/59/191170059.db2.gz XMPHVSQPLZVULW-UHFFFAOYSA-N 0 0 303.321 2.448 10 30 DEEERN CC(C)N1CC[C@@H](NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)C1=O ZINC000330117652 539934321 /nfs/dbraw/zinc/93/43/21/539934321.db2.gz XHRUTOFPSBEANG-RRFJBIMHSA-N 0 0 317.389 2.125 10 30 DEEERN C=CC[C@H]1CCCN(C(=O)c2cnc3ccc(OC)nn32)C1 ZINC000617779406 363262094 /nfs/dbraw/zinc/26/20/94/363262094.db2.gz ZZFOTLQSIFISFT-LBPRGKRZSA-N 0 0 300.362 2.166 10 30 DEEERN C[C@]12CC(C)(C)[C@@H]3C(Cl)(Cl)[C@]3(N3CCOCC3)[C@H]1O2 ZINC000002559248 353991661 /nfs/dbraw/zinc/99/16/61/353991661.db2.gz LENBNQSXDZTTGX-XRRVDJEJSA-N 0 0 306.233 2.449 10 30 DEEERN C=CCNC(=O)CN1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000024242498 354063624 /nfs/dbraw/zinc/06/36/24/354063624.db2.gz HNFWOCHHSIAAAQ-CQSZACIVSA-N 0 0 321.852 2.321 10 30 DEEERN N#Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)c1 ZINC000045873061 354266459 /nfs/dbraw/zinc/26/64/59/354266459.db2.gz UMXMLGPAPWSBDV-AWEZNQCLSA-N 0 0 309.325 2.395 10 30 DEEERN C=CCOc1ccc(C(=O)NC(C)(C)C(=O)OCC)cc1OC ZINC000066773937 354732553 /nfs/dbraw/zinc/73/25/53/354732553.db2.gz DPMFNDPYPFGIPV-UHFFFAOYSA-N 0 0 321.373 2.332 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CCNC(=O)c1ccsc1 ZINC000066292134 354708067 /nfs/dbraw/zinc/70/80/67/354708067.db2.gz JCZMMQIHNWVUGJ-UHFFFAOYSA-N 0 0 320.336 2.445 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000069344559 354861491 /nfs/dbraw/zinc/86/14/91/354861491.db2.gz MMMUIXAERTZLEI-VXGBXAGGSA-N 0 0 323.418 2.054 10 30 DEEERN C=CCOc1ccc(C(=O)N2C[C@H](C)C(O)[C@@H](C)C2)cc1OC ZINC000618261167 363434284 /nfs/dbraw/zinc/43/42/84/363434284.db2.gz CQBXLTCTTRGNOO-STQMWFEESA-N 0 0 319.401 2.349 10 30 DEEERN CC(C)(C)SCC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000073089557 354941538 /nfs/dbraw/zinc/94/15/38/354941538.db2.gz IRQVUHXJJINYNK-UHFFFAOYSA-N 0 0 318.446 2.134 10 30 DEEERN C=CCN(C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000357417435 540092724 /nfs/dbraw/zinc/09/27/24/540092724.db2.gz DRWAHNFUSMZVTP-UHFFFAOYSA-N 0 0 306.309 2.440 10 30 DEEERN C=CCCCN(C)C(=O)c1cc(Cl)ccc1-n1cnnn1 ZINC000076488057 355151508 /nfs/dbraw/zinc/15/15/08/355151508.db2.gz WEAADZIBJWZLAC-UHFFFAOYSA-N 0 0 305.769 2.354 10 30 DEEERN C=CCCCN(C)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000076937234 355174248 /nfs/dbraw/zinc/17/42/48/355174248.db2.gz LTVTYKMIIMZBGN-UHFFFAOYSA-N 0 0 318.421 2.026 10 30 DEEERN N#Cc1cccc(NC(=O)Cc2ccc3c(c2)NC(=O)CO3)c1 ZINC000074965545 191396576 /nfs/dbraw/zinc/39/65/76/191396576.db2.gz BQOGYAYTBUWFHR-UHFFFAOYSA-N 0 0 307.309 2.070 10 30 DEEERN N#Cc1ccccc1S(=O)(=O)N1CO[C@@H](c2ccccc2)C1 ZINC000074882859 191378319 /nfs/dbraw/zinc/37/83/19/191378319.db2.gz FTPPTCHPGRDJJR-OAHLLOKOSA-N 0 0 314.366 2.278 10 30 DEEERN C=CCc1cc(C(=O)NC[C@H]2CCC[C@@H]2O)cc(OC)c1OC ZINC000080969065 355396862 /nfs/dbraw/zinc/39/68/62/355396862.db2.gz NZQBGOVJCAECRB-HIFRSBDPSA-N 0 0 319.401 2.323 10 30 DEEERN COCCNC(=S)N/N=C(\C)c1ccc(OC(F)F)cc1 ZINC000005119935 181205495 /nfs/dbraw/zinc/20/54/95/181205495.db2.gz IQOTVSQFWCGBJL-RQZCQDPDSA-N 0 0 317.361 2.123 10 30 DEEERN Cc1ccc(S(=O)(=O)OCCO[C@H]2CCCCO2)cc1 ZINC000117574431 355778048 /nfs/dbraw/zinc/77/80/48/355778048.db2.gz WHFUIVZZHQPGTF-AWEZNQCLSA-N 0 0 300.376 2.244 10 30 DEEERN COc1ccc(CNC(=O)C[C@@H]2C=CC(=O)CC2)c(OC)c1 ZINC000118363763 355780658 /nfs/dbraw/zinc/78/06/58/355780658.db2.gz NJKVQWVKJQRULH-GFCCVEGCSA-N 0 0 303.358 2.245 10 30 DEEERN CC[C@H](Nc1cc(Br)c(C#N)cc1F)C(N)=O ZINC000166473935 355976850 /nfs/dbraw/zinc/97/68/50/355976850.db2.gz FDKXVKJZTOKJSD-VIFPVBQESA-N 0 0 300.131 2.136 10 30 DEEERN C=CCNC(=O)CNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000181154336 356073187 /nfs/dbraw/zinc/07/31/87/356073187.db2.gz ANMCWULXZXTDKS-LLVKDONJSA-N 0 0 309.797 2.345 10 30 DEEERN CC(C)CS(=O)(=O)N[C@@H](C)c1ccc(C#CCCO)cc1 ZINC000080192621 192010824 /nfs/dbraw/zinc/01/08/24/192010824.db2.gz LXAKFZGTUZBRSP-AWEZNQCLSA-N 0 0 309.431 2.057 10 30 DEEERN C[C@@H](C#N)CNC(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000182779797 356145678 /nfs/dbraw/zinc/14/56/78/356145678.db2.gz DFWADRGXAIOGCW-ZDUSSCGKSA-N 0 0 320.437 2.017 10 30 DEEERN O=C(c1ccc(C#Cc2cccc(F)c2)cn1)N1CCC(O)CC1 ZINC000199258484 356265867 /nfs/dbraw/zinc/26/58/67/356265867.db2.gz JWCLLIBLHAYSFO-UHFFFAOYSA-N 0 0 324.355 2.217 10 30 DEEERN N#Cc1ccc(CN[C@@H](CN2CCOCC2)c2ccccc2)o1 ZINC000174250215 283146563 /nfs/dbraw/zinc/14/65/63/283146563.db2.gz BXZOPYLMQFUOGZ-SFHVURJKSA-N 0 0 311.385 2.314 10 30 DEEERN C=CCSCCNC(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000194505852 356240604 /nfs/dbraw/zinc/24/06/04/356240604.db2.gz SCAFNGWRXIOPBK-HNNXBMFYSA-N 0 0 306.431 2.289 10 30 DEEERN N#Cc1ccc(CNC(=O)NCc2ccc(CO)c(F)c2)cc1 ZINC000194922525 356246483 /nfs/dbraw/zinc/24/64/83/356246483.db2.gz SBAAXHCJUUCYHS-UHFFFAOYSA-N 0 0 313.332 2.189 10 30 DEEERN Cc1cc(C)c(NC(=O)CNC(=O)c2cc(C#N)cn2C)c(C)c1 ZINC000080941839 192204349 /nfs/dbraw/zinc/20/43/49/192204349.db2.gz FZTSKCIFMBDURI-UHFFFAOYSA-N 0 0 324.384 2.191 10 30 DEEERN C#C[C@@H](NN)c1cc(Br)cc(Br)c1 ZINC000236176876 356289284 /nfs/dbraw/zinc/28/92/84/356289284.db2.gz ICAWOAQNXKPFEZ-SECBINFHSA-N 0 0 303.985 2.349 10 30 DEEERN N#Cc1cc(OC(F)(F)F)cnc1I ZINC000238542075 356304056 /nfs/dbraw/zinc/30/40/56/356304056.db2.gz IBMNEMCEVNXZKO-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN CC(C)[C@H](NC(=O)c1cc(C#N)cn1C)c1nc(C2CC2)no1 ZINC000081085491 192225266 /nfs/dbraw/zinc/22/52/66/192225266.db2.gz FKRZOKCJGMWESV-ZDUSSCGKSA-N 0 0 313.361 2.284 10 30 DEEERN CCSCCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000312392837 356412341 /nfs/dbraw/zinc/41/23/41/356412341.db2.gz LAQMAJDMXJXAHV-UHFFFAOYSA-N 0 0 312.460 2.065 10 30 DEEERN COC(=O)c1ccc(I)c(C#N)c1C ZINC000306840659 356406588 /nfs/dbraw/zinc/40/65/88/356406588.db2.gz DCAIPGPLNYICFH-UHFFFAOYSA-N 0 0 301.083 2.258 10 30 DEEERN CN(C[C@H]1CCc2nccn2C1)C([O-])=[NH+]c1ccc(F)cn1 ZINC000328628313 356464241 /nfs/dbraw/zinc/46/42/41/356464241.db2.gz NOIAWIFJAFSQHI-LLVKDONJSA-N 0 0 303.341 2.157 10 30 DEEERN C=CCCOCCCCc1nc(-c2ccc(=O)n(C)c2)no1 ZINC000350935700 356590130 /nfs/dbraw/zinc/59/01/30/356590130.db2.gz XUNIZBQBKUFJTL-UHFFFAOYSA-N 0 0 303.362 2.351 10 30 DEEERN C=CCOCCCNC(=O)c1oc(=O)c2ccccc2c1C ZINC000618515895 363513573 /nfs/dbraw/zinc/51/35/73/363513573.db2.gz HRHUZZDOGGUFRI-UHFFFAOYSA-N 0 0 301.342 2.424 10 30 DEEERN C=CCOCCCNC(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000618523481 363515486 /nfs/dbraw/zinc/51/54/86/363515486.db2.gz ITJYBGQIXJKLHZ-UHFFFAOYSA-N 0 0 318.295 2.345 10 30 DEEERN C=CCOCCCNC(=O)[C@@H](CC(C)C)N1CCCCC1=O ZINC000618525325 363515726 /nfs/dbraw/zinc/51/57/26/363515726.db2.gz BGAVGAATHNCJRY-OAHLLOKOSA-N 0 0 310.438 2.123 10 30 DEEERN C#Cc1cccc(N(CC)C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000085793140 192530527 /nfs/dbraw/zinc/53/05/27/192530527.db2.gz VLEOHQVKKCJTSA-INIZCTEOSA-N 0 0 320.458 2.166 10 30 DEEERN CC[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2N)CC1 ZINC000085918400 192539875 /nfs/dbraw/zinc/53/98/75/192539875.db2.gz PIIPXSYTTKBLEU-GFCCVEGCSA-N 0 0 307.419 2.341 10 30 DEEERN C=CCC1(C(=O)NCc2nccc(OC)c2F)CCOCC1 ZINC000618643755 363557655 /nfs/dbraw/zinc/55/76/55/363557655.db2.gz ULSJJECOKCSIIW-UHFFFAOYSA-N 0 0 308.353 2.218 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc2c(c1)CCN2 ZINC000626843481 366343918 /nfs/dbraw/zinc/34/39/18/366343918.db2.gz PRHKUBLSQGEMBP-UHFFFAOYSA-N 0 0 301.390 2.312 10 30 DEEERN C=CCn1c(N(C)Cc2ccon2)nnc1[C@@]1(C)CCCO1 ZINC000578153380 356771052 /nfs/dbraw/zinc/77/10/52/356771052.db2.gz QBJOBQQRAXKBDB-OAHLLOKOSA-N 0 0 303.366 2.114 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC000578642255 356849961 /nfs/dbraw/zinc/84/99/61/356849961.db2.gz YDQKJSJODFTTIN-MLGOLLRUSA-N 0 0 314.389 2.126 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1coc(COC)n1 ZINC000579987100 357063926 /nfs/dbraw/zinc/06/39/26/357063926.db2.gz MQELZRHDOBSSKS-UHFFFAOYSA-N 0 0 320.345 2.125 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000581126734 357134856 /nfs/dbraw/zinc/13/48/56/357134856.db2.gz BYRPTPDVGQBLPB-NHYWBVRUSA-N 0 0 318.348 2.031 10 30 DEEERN C=CCOc1ccc(CC(=O)N2C[C@H]3COC[C@]3(C)C2)cc1 ZINC000618699365 363576316 /nfs/dbraw/zinc/57/63/16/363576316.db2.gz MGIGIIHTMNDUML-YJBOKZPZSA-N 0 0 301.386 2.289 10 30 DEEERN C=CCSCCNC(=O)N1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000588315852 357406518 /nfs/dbraw/zinc/40/65/18/357406518.db2.gz MTXXCZVFAJPLSJ-VHSXEESVSA-N 0 0 312.357 2.267 10 30 DEEERN COc1cc(NC(=O)NCc2ccc(C#N)cc2F)ccn1 ZINC000588325417 357406880 /nfs/dbraw/zinc/40/68/80/357406880.db2.gz LHOAUGSJYFIMLT-UHFFFAOYSA-N 0 0 300.293 2.423 10 30 DEEERN CN(C)C(=O)C[C@@]1(O)CCCN(c2ccc(Cl)cc2C#N)C1 ZINC000591618798 357744076 /nfs/dbraw/zinc/74/40/76/357744076.db2.gz UZEPIAWRBPDTRU-INIZCTEOSA-N 0 0 321.808 2.021 10 30 DEEERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2ccc(F)c(C#N)c2)C1 ZINC000591653064 357748342 /nfs/dbraw/zinc/74/83/42/357748342.db2.gz IWUGOYSLDYLJMG-HIFRSBDPSA-N 0 0 300.337 2.382 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000593176253 358027509 /nfs/dbraw/zinc/02/75/09/358027509.db2.gz YNYCLVBTAWCQGN-XGUBFFRZSA-N 0 0 323.433 2.452 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 ZINC000185014213 199796462 /nfs/dbraw/zinc/79/64/62/199796462.db2.gz PBXQSPPNDPWZST-GFCCVEGCSA-N 0 0 318.373 2.130 10 30 DEEERN C=CCC1(C(=O)N2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)CCOCC1 ZINC000593373704 358063585 /nfs/dbraw/zinc/06/35/85/358063585.db2.gz JEKBGYSLXJJNCN-LSDHHAIUSA-N 0 0 321.417 2.017 10 30 DEEERN C=CCCn1cc(C[S@@](=O)CCc2ccc(OC)cc2)nn1 ZINC000593938169 358174567 /nfs/dbraw/zinc/17/45/67/358174567.db2.gz HQJCZTGIYRJFNS-QFIPXVFZSA-N 0 0 319.430 2.354 10 30 DEEERN C=CCCn1cc(C[S@@](=O)[C@@H](C)c2nc(C(C)C)no2)nn1 ZINC000593939663 358174940 /nfs/dbraw/zinc/17/49/40/358174940.db2.gz ZPBNSJUYMCGMDZ-KPWVOAKYSA-N 0 0 323.422 2.371 10 30 DEEERN C=C[C@@H](NC[C@H]1CCCc2ccc(C(=O)OC)cc21)C(=O)OC ZINC000594719593 358325022 /nfs/dbraw/zinc/32/50/22/358325022.db2.gz DOLCLXKSDKOSIU-GDBMZVCRSA-N 0 0 317.385 2.210 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)CCCC(=O)OCC ZINC000594790932 358337454 /nfs/dbraw/zinc/33/74/54/358337454.db2.gz ZGMNVFNVCDXESI-UONOGXRCSA-N 0 0 317.451 2.384 10 30 DEEERN C[C@@]1(CNS(=O)(=O)c2ccc(F)c(C#N)c2)CC1(F)F ZINC000594851687 358348395 /nfs/dbraw/zinc/34/83/95/358348395.db2.gz KEILGYLYXIJTSH-NSHDSACASA-N 0 0 304.293 2.021 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000595209444 358401820 /nfs/dbraw/zinc/40/18/20/358401820.db2.gz DRCRSLQZGOOGCG-OKILXGFUSA-N 0 0 313.332 2.345 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccccc1C(=O)OC ZINC000595373424 358434947 /nfs/dbraw/zinc/43/49/47/358434947.db2.gz NXSKPUPHZUIRPK-BETUJISGSA-N 0 0 321.398 2.345 10 30 DEEERN C=CCCSCCNC(=O)N[C@H](COC)C1CCOCC1 ZINC000595705206 358529450 /nfs/dbraw/zinc/52/94/50/358529450.db2.gz DVMOWTVYGLLWPL-CQSZACIVSA-N 0 0 316.467 2.037 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(CC2(C(=O)OC(C)(C)C)CCC2)C1=O ZINC000596053727 358598696 /nfs/dbraw/zinc/59/86/96/358598696.db2.gz PXKKPDMDLZZTAI-LBPRGKRZSA-N 0 0 322.405 2.385 10 30 DEEERN Cc1nnc([C@H]2CN(c3nc(C)cc(C)c3C#N)C[C@@H](C)O2)o1 ZINC000596505992 358702474 /nfs/dbraw/zinc/70/24/74/358702474.db2.gz XCQSPQUMFBGFFJ-BXUZGUMPSA-N 0 0 313.361 2.228 10 30 DEEERN CN1C[C@@H](CNc2ccc(C#N)cc2Br)CC1=O ZINC000596491107 358698361 /nfs/dbraw/zinc/69/83/61/358698361.db2.gz OUMLGSLQASKUFN-SNVBAGLBSA-N 0 0 308.179 2.211 10 30 DEEERN C=CCCSCCNC(=O)NC1(CO)Cc2ccccc2C1 ZINC000596716155 358745858 /nfs/dbraw/zinc/74/58/58/358745858.db2.gz RVISQTBOAMSDFX-UHFFFAOYSA-N 0 0 320.458 2.125 10 30 DEEERN C=CCCSCCNC(=O)N[C@@H]1CCCCC[C@H]1C(N)=O ZINC000596718531 358745981 /nfs/dbraw/zinc/74/59/81/358745981.db2.gz ZNAFLZZXIKIAGV-CHWSQXEVSA-N 0 0 313.467 2.029 10 30 DEEERN CN(Cc1cnccn1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618850252 363616599 /nfs/dbraw/zinc/61/65/99/363616599.db2.gz HFBORGBZLGTKAG-MRXNPFEDSA-N 0 0 307.357 2.177 10 30 DEEERN C=CCSCCNC(=O)Nc1ccc2c(c1)CCN(C)C2=O ZINC000597039279 358809993 /nfs/dbraw/zinc/80/99/93/358809993.db2.gz VVWFMUPALNUKBS-UHFFFAOYSA-N 0 0 319.430 2.355 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H](CC(=O)OCC)C(F)(F)F ZINC000597013866 358805777 /nfs/dbraw/zinc/80/57/77/358805777.db2.gz ZLXOOEIOCDAIPB-JTQLQIEISA-N 0 0 310.316 2.478 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(C(=O)OC)oc1C ZINC000597609535 358962075 /nfs/dbraw/zinc/96/20/75/358962075.db2.gz KCQKMUASGOIRLE-RISCZKNCSA-N 0 0 307.346 2.086 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1 ZINC000597500091 358934175 /nfs/dbraw/zinc/93/41/75/358934175.db2.gz IVNWDVPANLZZMW-UONOGXRCSA-N 0 0 311.422 2.188 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC000185811922 199889870 /nfs/dbraw/zinc/88/98/70/199889870.db2.gz LOMIJOVCYBTEMJ-GFCCVEGCSA-N 0 0 309.797 2.002 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC000185711909 199879628 /nfs/dbraw/zinc/87/96/28/199879628.db2.gz RMFVYERTIGXGHG-NSHDSACASA-N 0 0 306.387 2.307 10 30 DEEERN C=CCC[C@@H](NC(=O)C[C@H](C)n1ccc(C)n1)C(=O)OCC ZINC000597733028 358993249 /nfs/dbraw/zinc/99/32/49/358993249.db2.gz PEJWVUWKFOJKPR-UONOGXRCSA-N 0 0 307.394 2.157 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@H](C(=O)OC)c1cccc(OC)c1 ZINC000598031244 359070365 /nfs/dbraw/zinc/07/03/65/359070365.db2.gz WRUJCCFEPAATNF-DOMZBBRYSA-N 0 0 321.373 2.007 10 30 DEEERN C=CCCSCCNC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000597969393 359054115 /nfs/dbraw/zinc/05/41/15/359054115.db2.gz ZADKRNDMIFQFBW-ZDUSSCGKSA-N 0 0 309.431 2.372 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000185860447 199896749 /nfs/dbraw/zinc/89/67/49/199896749.db2.gz LLBPBHZGJNTKSJ-CQSZACIVSA-N 0 0 300.358 2.327 10 30 DEEERN C=CCCSCCNC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000597972121 359055366 /nfs/dbraw/zinc/05/53/66/359055366.db2.gz QDVIXEJOLXMUQS-UHFFFAOYSA-N 0 0 305.403 2.167 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NC2(C#N)CCCC2)cc1Cl ZINC000089495525 192802364 /nfs/dbraw/zinc/80/23/64/192802364.db2.gz BUZXUAXCEQYNCW-UHFFFAOYSA-N 0 0 309.778 2.326 10 30 DEEERN C=C[C@@H](N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C(=O)OC ZINC000599543453 359520413 /nfs/dbraw/zinc/52/04/13/359520413.db2.gz AXJPWJBAVVNGLJ-NQBHXWOUSA-N 0 0 315.291 2.238 10 30 DEEERN C=CCN1CC[C@H](N(C)[C@H](CC(C)C)C(=O)OC(C)(C)C)C1=O ZINC000599395902 359488153 /nfs/dbraw/zinc/48/81/53/359488153.db2.gz DUSIYTITMBKQSY-LSDHHAIUSA-N 0 0 324.465 2.462 10 30 DEEERN C=CCC[C@H](NC(=O)c1ncc2c(F)cccn21)C(=O)OCC ZINC000599997904 359632103 /nfs/dbraw/zinc/63/21/03/359632103.db2.gz ZNOPTUVOKVBZAM-LBPRGKRZSA-N 0 0 319.336 2.101 10 30 DEEERN CC#CCCCC(=O)N1CCc2occc2[C@H]1C(=O)OCC ZINC000600244864 359701388 /nfs/dbraw/zinc/70/13/88/359701388.db2.gz NWJOBWCCCNAFJS-INIZCTEOSA-N 0 0 303.358 2.462 10 30 DEEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1cn(C)nc1-c1ccco1 ZINC000627554517 366547968 /nfs/dbraw/zinc/54/79/68/366547968.db2.gz PPEXBDBYCHTANQ-NSHDSACASA-N 0 0 316.361 2.090 10 30 DEEERN C=C[C@H](CC(=O)N1CC(NC(=O)C2CCC2)C1)c1ccccc1 ZINC000188468358 200251925 /nfs/dbraw/zinc/25/19/25/200251925.db2.gz VTYBTVPBMXHQRJ-CQSZACIVSA-N 0 0 312.413 2.473 10 30 DEEERN C=CCN1C(=O)N=NC1S[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000601078615 359913975 /nfs/dbraw/zinc/91/39/75/359913975.db2.gz NDYXCIQEWQQMLA-SNVBAGLBSA-N 0 0 311.407 2.382 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cncc3c2CCCC3)C1 ZINC000627733521 366603759 /nfs/dbraw/zinc/60/37/59/366603759.db2.gz WRMBJIKSUBADBM-ZDUSSCGKSA-N 0 0 313.401 2.324 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccnc(OC(C)C)c2)C1 ZINC000627733946 366603805 /nfs/dbraw/zinc/60/38/05/366603805.db2.gz ICWRXSXLSZJWTH-ZDUSSCGKSA-N 0 0 317.389 2.232 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000627736136 366604533 /nfs/dbraw/zinc/60/45/33/366604533.db2.gz OLEZGSDZVUDUNK-ZDUSSCGKSA-N 0 0 302.374 2.367 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000627736065 366604589 /nfs/dbraw/zinc/60/45/89/366604589.db2.gz LUHVBFWMUGRZDI-CQSZACIVSA-N 0 0 324.384 2.235 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(NC(C)=O)cc2)C1 ZINC000627736396 366606943 /nfs/dbraw/zinc/60/69/43/366606943.db2.gz XAEHFLCMIFHLMN-ZDUSSCGKSA-N 0 0 315.373 2.008 10 30 DEEERN C=CCN1CC[C@H](N(C)c2ncc(C#N)c3ccsc32)C1=O ZINC000601160259 359947250 /nfs/dbraw/zinc/94/72/50/359947250.db2.gz SRCYZDXWSFZHQI-ZDUSSCGKSA-N 0 0 312.398 2.391 10 30 DEEERN C=C(C)C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])C(=O)OC ZINC000601228272 359974288 /nfs/dbraw/zinc/97/42/88/359974288.db2.gz ZVWXKTGHCRVRSS-QMMMGPOBSA-N 0 0 310.335 2.224 10 30 DEEERN C=CC[C@H](C(=O)N1CCO[C@@]2(CCOC2)C1)c1ccccc1 ZINC000189143281 200355739 /nfs/dbraw/zinc/35/57/39/200355739.db2.gz OWANRRRYPMYXFZ-WMZOPIPTSA-N 0 0 301.386 2.364 10 30 DEEERN C=CCCC(C)(C)CNS(=O)(=O)N(CC)C[C@@H](C)C#N ZINC000601498265 360054731 /nfs/dbraw/zinc/05/47/31/360054731.db2.gz WHKWAOGTTZRGJN-ZDUSSCGKSA-N 0 0 301.456 2.295 10 30 DEEERN C=C(C)C[C@@H](NC(=O)COc1ccc(C)c(C)c1)C(=O)OC ZINC000601771136 360140389 /nfs/dbraw/zinc/14/03/89/360140389.db2.gz HTHYUHNDDYENMX-OAHLLOKOSA-N 0 0 305.374 2.306 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(F)c(F)c(F)c1F)C(=O)OC ZINC000601778675 360144685 /nfs/dbraw/zinc/14/46/85/360144685.db2.gz OYMULZWCWIYYNJ-VIFPVBQESA-N 0 0 319.254 2.481 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1CCC(=O)c2ccccc21)C(=O)OC ZINC000601781070 360145828 /nfs/dbraw/zinc/14/58/28/360145828.db2.gz GVNKOSBXNUHFDC-HUUCEWRRSA-N 0 0 315.369 2.371 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(-c2cc[nH]n2)s1)C(=O)OC ZINC000601781979 360146665 /nfs/dbraw/zinc/14/66/65/360146665.db2.gz NBJMZNKUPOZYDB-NSHDSACASA-N 0 0 319.386 2.376 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(OC)c(OC)cc1C)C(=O)OC ZINC000601782408 360146781 /nfs/dbraw/zinc/14/67/81/360146781.db2.gz OSAMCJOJDHCRDB-ZDUSSCGKSA-N 0 0 321.373 2.250 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H](C)OCc1ccc(F)cc1)C(=O)OC ZINC000601783618 360147522 /nfs/dbraw/zinc/14/75/22/360147522.db2.gz XEMBHWKNKQBVBC-SWLSCSKDSA-N 0 0 323.364 2.355 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H](C)OCc1ccc(F)cc1)C(=O)OC ZINC000601783619 360147700 /nfs/dbraw/zinc/14/77/00/360147700.db2.gz XEMBHWKNKQBVBC-WFASDCNBSA-N 0 0 323.364 2.355 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H]1CCCc2c(O)cccc21)C(=O)OC ZINC000601786762 360149586 /nfs/dbraw/zinc/14/95/86/360149586.db2.gz IVDGOULHUZPVDN-GJZGRUSLSA-N 0 0 317.385 2.436 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1csc([C@H]2CCCO2)n1)C(=O)OC ZINC000601787225 360149600 /nfs/dbraw/zinc/14/96/00/360149600.db2.gz KVBTYDQHZBVFRQ-ZYHUDNBSSA-N 0 0 324.402 2.232 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(C(C)=O)cc1F)C(=O)OC ZINC000601788691 360150532 /nfs/dbraw/zinc/15/05/32/360150532.db2.gz WSTDICJUVYSDQQ-AWEZNQCLSA-N 0 0 307.321 2.266 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cccc(OC(C)C)n1)C(=O)OC ZINC000601788770 360151583 /nfs/dbraw/zinc/15/15/83/360151583.db2.gz YMHSTUHPCBWDFV-ZDUSSCGKSA-N 0 0 306.362 2.106 10 30 DEEERN C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC000601853911 360175795 /nfs/dbraw/zinc/17/57/95/360175795.db2.gz GVJZEJMVDWCJNR-TUVASFSCSA-N 0 0 315.421 2.485 10 30 DEEERN C=C(C)Cn1c(-c2ncccn2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601873270 360179735 /nfs/dbraw/zinc/17/97/35/360179735.db2.gz CJXFZIBIZBGMMF-ZIAGYGMSSA-N 0 0 323.404 2.440 10 30 DEEERN CC#CCCNC(=O)N1CCc2c(F)ccc(C(=O)OC)c2C1 ZINC000602299029 360334000 /nfs/dbraw/zinc/33/40/00/360334000.db2.gz ACASWFAOZVSSGG-UHFFFAOYSA-N 0 0 318.348 2.093 10 30 DEEERN C=CCC1(CNC(=O)N2CC[C@](OC)(C(=O)OC)C2)CCCC1 ZINC000602322469 360339585 /nfs/dbraw/zinc/33/95/85/360339585.db2.gz AEVUXYBYEDHUCR-QGZVFWFLSA-N 0 0 324.421 2.096 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)C(=O)OC ZINC000602412497 360361615 /nfs/dbraw/zinc/36/16/15/360361615.db2.gz IOJRVRYVKJBUMD-GFCCVEGCSA-N 0 0 308.284 2.074 10 30 DEEERN C=CCCNC(=O)c1ncc(I)s1 ZINC000603429847 360829734 /nfs/dbraw/zinc/82/97/34/360829734.db2.gz SAZXQZBCZVMKLK-UHFFFAOYSA-N 0 0 308.144 2.054 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@@H](C(=O)OC)c1cccc(O)c1)OCC ZINC000271904361 209312244 /nfs/dbraw/zinc/31/22/44/209312244.db2.gz KXFMNLCJPDZIFV-GOEBONIOSA-N 0 0 321.373 2.094 10 30 DEEERN C=CCCCN(C)C(=O)NCc1ccc(OCCOC)nc1 ZINC000605847186 360988376 /nfs/dbraw/zinc/98/83/76/360988376.db2.gz IPZNUIQWHXZTMA-UHFFFAOYSA-N 0 0 307.394 2.214 10 30 DEEERN C[C@H](CNC(=O)c1ccnc(C#N)c1)N1CCc2ccccc21 ZINC000192632299 200913305 /nfs/dbraw/zinc/91/33/05/200913305.db2.gz YROZNSXBMMTUIN-CYBMUJFWSA-N 0 0 306.369 2.134 10 30 DEEERN C[C@@H](C#N)CN(C)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000609147747 361284683 /nfs/dbraw/zinc/28/46/83/361284683.db2.gz BZWGHXLRDVBLFS-ZDUSSCGKSA-N 0 0 302.378 2.147 10 30 DEEERN Cc1nc(CNC(=O)NCc2ccc(C#N)cc2F)cs1 ZINC000609240150 361291337 /nfs/dbraw/zinc/29/13/37/361291337.db2.gz OQNRDCYRDGVCKN-UHFFFAOYSA-N 0 0 304.350 2.462 10 30 DEEERN COc1ncccc1NC(=O)NCc1ccc(C#N)cc1F ZINC000609239796 361291407 /nfs/dbraw/zinc/29/14/07/361291407.db2.gz BOYMTSPPNIQTNH-UHFFFAOYSA-N 0 0 300.293 2.423 10 30 DEEERN C=CCOCCCNC(=O)c1cc(C)n([C@@H]2CCOC2)c1C ZINC000628088067 366716213 /nfs/dbraw/zinc/71/62/13/366716213.db2.gz TUBTXYJJKWBELG-OAHLLOKOSA-N 0 0 306.406 2.389 10 30 DEEERN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H](C)C(C)C)CC2)o1 ZINC000193322038 201030006 /nfs/dbraw/zinc/03/00/06/201030006.db2.gz GPELDRUOGJRVEO-LBPRGKRZSA-N 0 0 318.421 2.479 10 30 DEEERN N#Cc1cc(C(=O)NCC2([C@H](O)c3ccccc3)CC2)ccn1 ZINC000193662329 201098226 /nfs/dbraw/zinc/09/82/26/201098226.db2.gz SOTJQGIINFXGAJ-MRXNPFEDSA-N 0 0 307.353 2.197 10 30 DEEERN C=CCNc1ncc(C(=O)N[C@@H](C)CCC(=O)OCC)s1 ZINC000090002617 192919189 /nfs/dbraw/zinc/91/91/89/192919189.db2.gz GRVFFRQBNUTOAH-JTQLQIEISA-N 0 0 311.407 2.203 10 30 DEEERN N#Cc1cccc(CC(=O)N2CCCc3c(C(N)=O)cccc32)c1 ZINC000610519359 361414851 /nfs/dbraw/zinc/41/48/51/361414851.db2.gz MWHRGKDHWUNZNI-UHFFFAOYSA-N 0 0 319.364 2.179 10 30 DEEERN C=CC(C)(C)CCNC(=O)Cn1cnc2c(C)cccc2c1=O ZINC000628318353 366807358 /nfs/dbraw/zinc/80/73/58/366807358.db2.gz ZNMAFCPDUBWJMX-UHFFFAOYSA-N 0 0 313.401 2.423 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1cc(N2CCOCC2)ccn1 ZINC000628318170 366807453 /nfs/dbraw/zinc/80/74/53/366807453.db2.gz RFZOHNWBTCHWSX-UHFFFAOYSA-N 0 0 303.406 2.250 10 30 DEEERN C=CCOCCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000611544917 361627134 /nfs/dbraw/zinc/62/71/34/361627134.db2.gz ABVUOGARXDJOKZ-NSHDSACASA-N 0 0 310.375 2.394 10 30 DEEERN C=CCOCCNC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000611545045 361627186 /nfs/dbraw/zinc/62/71/86/361627186.db2.gz OEVKYMBUJIRREP-UHFFFAOYSA-N 0 0 317.414 2.485 10 30 DEEERN C[C@@H](c1ccccc1)[C@H](CO)NC(=O)Cc1cccc(C#N)c1 ZINC000611508979 361618563 /nfs/dbraw/zinc/61/85/63/361618563.db2.gz WHNGPCHABCUKES-KSSFIOAISA-N 0 0 308.381 2.382 10 30 DEEERN C=CCOCCNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611541590 361625911 /nfs/dbraw/zinc/62/59/11/361625911.db2.gz VYLDTVWAVZIZFZ-UHFFFAOYSA-N 0 0 314.345 2.397 10 30 DEEERN Cc1ccccc1N1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000195034398 201330396 /nfs/dbraw/zinc/33/03/96/201330396.db2.gz AEXQDACWMCVFPN-UHFFFAOYSA-N 0 0 306.369 2.224 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H](C)C1(OC)CCC1 ZINC000611978911 361717014 /nfs/dbraw/zinc/71/70/14/361717014.db2.gz QMTNOQIPLKWUJQ-KFWWJZLASA-N 0 0 322.449 2.311 10 30 DEEERN O=[N+]([O-])c1cccc(S(=O)(=O)N/N=C/c2ccc(F)cc2)c1 ZINC000006494358 181345971 /nfs/dbraw/zinc/34/59/71/181345971.db2.gz RKNITODCMZHZLA-OQLLNIDSSA-N 0 0 323.305 2.046 10 30 DEEERN C[C@H](CO)COc1cc(C#N)ccc1I ZINC000619585788 363833903 /nfs/dbraw/zinc/83/39/03/363833903.db2.gz MTPQBHJHUQCRGY-MRVPVSSYSA-N 0 0 317.126 2.170 10 30 DEEERN CC(C)[C@H]1c2ccccc2CCN1C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000619596924 363836796 /nfs/dbraw/zinc/83/67/96/363836796.db2.gz KCTUTQWSGSMJKW-DYVFJYSZSA-N 0 0 323.400 2.493 10 30 DEEERN N#Cc1ccc(CNC(=O)c2cn3cccnc3n2)cc1Cl ZINC000619775343 363873929 /nfs/dbraw/zinc/87/39/29/363873929.db2.gz GVYZOFUVRBDEMF-UHFFFAOYSA-N 0 0 311.732 2.184 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000620314979 364015126 /nfs/dbraw/zinc/01/51/26/364015126.db2.gz WINWNMFVERMJCU-GASCZTMLSA-N 0 0 309.373 2.050 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cccc(OC)c1C ZINC000620757601 364142185 /nfs/dbraw/zinc/14/21/85/364142185.db2.gz WSUHVFQZAQVDFM-OAHLLOKOSA-N 0 0 304.390 2.091 10 30 DEEERN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(C#N)n1C ZINC000448718556 239565994 /nfs/dbraw/zinc/56/59/94/239565994.db2.gz YPRMKROCTMWGBL-UHFFFAOYSA-N 0 0 322.368 2.350 10 30 DEEERN C=CCn1cc(C(=O)N2CC3(CCC3)[C@H]2c2ccncc2)nn1 ZINC000621162209 364289771 /nfs/dbraw/zinc/28/97/71/364289771.db2.gz OUNRDQVFCRAKCX-OAHLLOKOSA-N 0 0 309.373 2.227 10 30 DEEERN C=CCn1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCO3)nn1 ZINC000621178641 364293222 /nfs/dbraw/zinc/29/32/22/364293222.db2.gz AHKLIYVCPCKGDE-LBPRGKRZSA-N 0 0 312.373 2.280 10 30 DEEERN C=CCC1(C(=O)N2CCO[C@@](C)(C(F)F)C2)CCOCC1 ZINC000621187981 364295552 /nfs/dbraw/zinc/29/55/52/364295552.db2.gz JNPAQQSUSCMNHK-CQSZACIVSA-N 0 0 303.349 2.242 10 30 DEEERN C=CCOCCCNC(=O)N(C)Cc1c(C)cc(C)nc1OC ZINC000621469379 364414440 /nfs/dbraw/zinc/41/44/40/364414440.db2.gz JLGXMHTYFIEMSP-UHFFFAOYSA-N 0 0 321.421 2.441 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CCc2c(C)nc3ncnn3c2C)C1 ZINC000628482942 366863745 /nfs/dbraw/zinc/86/37/45/366863745.db2.gz BZLPRPMIFOEDNQ-CQSZACIVSA-N 0 0 313.405 2.098 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C[C@H]2Oc3ccccc3NC2=O)C1 ZINC000628484796 366864293 /nfs/dbraw/zinc/86/42/93/366864293.db2.gz VJPDXSXQKWXUEY-SWLSCSKDSA-N 0 0 300.358 2.201 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CCNC(=O)c2ccc(F)cc2)C1 ZINC000628487106 366865304 /nfs/dbraw/zinc/86/53/04/366865304.db2.gz XVBCHQUIXKIQEK-ZDUSSCGKSA-N 0 0 304.365 2.370 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cc(-n3ccnn3)ccc2F)C1 ZINC000628492848 366866433 /nfs/dbraw/zinc/86/64/33/366866433.db2.gz CVZMYEJHIMWKRS-LBPRGKRZSA-N 0 0 300.337 2.445 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000628492662 366866440 /nfs/dbraw/zinc/86/64/40/366866440.db2.gz ZFDFZBOYMWAFNR-LBPRGKRZSA-N 0 0 305.374 2.377 10 30 DEEERN C=CCn1cc(CNC(=O)c2cscc2C(F)(F)F)nn1 ZINC000622118647 364672081 /nfs/dbraw/zinc/67/20/81/364672081.db2.gz FPHVCEOGBMBESH-UHFFFAOYSA-N 0 0 316.308 2.474 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000623481295 365045995 /nfs/dbraw/zinc/04/59/95/365045995.db2.gz ZDCCAJCVTXGNLH-AWEZNQCLSA-N 0 0 317.437 2.347 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCCn2c(=O)oc3ccccc32)C1 ZINC000623579563 365087227 /nfs/dbraw/zinc/08/72/27/365087227.db2.gz HZBOKHWPGHAEQZ-CYBMUJFWSA-N 0 0 315.373 2.202 10 30 DEEERN C=CCC[C@@H](NC(=O)NC[C@@H]1COCCN1C)c1ccccc1 ZINC000623785672 365175313 /nfs/dbraw/zinc/17/53/13/365175313.db2.gz CEAGXPRGQNAMJK-IAGOWNOFSA-N 0 0 317.433 2.324 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 ZINC000623800490 365178029 /nfs/dbraw/zinc/17/80/29/365178029.db2.gz LZHBSYWLKVZMJC-HUUCEWRRSA-N 0 0 300.406 2.268 10 30 DEEERN CC(C)c1csc(NC(=O)c2ccncc2C#CCO)n1 ZINC000091458601 193058908 /nfs/dbraw/zinc/05/89/08/193058908.db2.gz DHHOLBAKLRUHKH-UHFFFAOYSA-N 0 0 301.371 2.258 10 30 DEEERN Cc1cc(F)cc(NS(=O)(=O)c2ccc(C#N)cc2N)c1 ZINC000091509063 193067204 /nfs/dbraw/zinc/06/72/04/193067204.db2.gz PKIYXHJLOOTWJN-UHFFFAOYSA-N 0 0 305.334 2.389 10 30 DEEERN CSC1(C#N)CCN(S(=O)(=O)c2ccc(C)s2)CC1 ZINC000091473224 193061387 /nfs/dbraw/zinc/06/13/87/193061387.db2.gz DMOFVXROJMXHJQ-UHFFFAOYSA-N 0 0 316.473 2.466 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)C1 ZINC000624167970 365315784 /nfs/dbraw/zinc/31/57/84/365315784.db2.gz SUIUQQUOWBQPID-FMKPAKJESA-N 0 0 318.421 2.248 10 30 DEEERN C=CCn1cc(CNC(=O)NCC(C)(C)C(F)(F)CC)nn1 ZINC000624242149 365348292 /nfs/dbraw/zinc/34/82/92/365348292.db2.gz DGEKXUBNRWBUIT-UHFFFAOYSA-N 0 0 315.368 2.335 10 30 DEEERN C=CCCNC(=O)NCc1cc(Br)cnc1OC ZINC000624345492 365388643 /nfs/dbraw/zinc/38/86/43/365388643.db2.gz JQXHJSMCUULDJM-UHFFFAOYSA-N 0 0 314.183 2.228 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000624464033 365429720 /nfs/dbraw/zinc/42/97/20/365429720.db2.gz JDUYZZSYBIYOTQ-CYBMUJFWSA-N 0 0 307.369 2.254 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000624468649 365431133 /nfs/dbraw/zinc/43/11/33/365431133.db2.gz RYMFUXWFVDSPJO-UHFFFAOYSA-N 0 0 309.454 2.489 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000624466174 365431316 /nfs/dbraw/zinc/43/13/16/365431316.db2.gz LVJOSZUDDNSPDY-UHFFFAOYSA-N 0 0 309.454 2.489 10 30 DEEERN N#C[C@H]1CCC[C@H]1NCc1cnc2cnc(Br)cn12 ZINC000092049984 193147950 /nfs/dbraw/zinc/14/79/50/193147950.db2.gz GDODKEMPNQHGSD-MWLCHTKSSA-N 0 0 320.194 2.274 10 30 DEEERN CCc1ccc([C@H](COC)NC(=O)c2ccc(C#N)n2C)o1 ZINC000449939253 241272512 /nfs/dbraw/zinc/27/25/12/241272512.db2.gz MRMPCUQMFKVSIO-ZDUSSCGKSA-N 0 0 301.346 2.170 10 30 DEEERN C=CCC[C@@H](C(=O)NC[C@@H]1COCCN1C)c1ccccc1 ZINC000628915911 367011389 /nfs/dbraw/zinc/01/13/89/367011389.db2.gz VOYRUJGJQNXZLH-IAGOWNOFSA-N 0 0 302.418 2.183 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1CCO[C@@H](CCF)C1 ZINC000629014909 367049697 /nfs/dbraw/zinc/04/96/97/367049697.db2.gz PIQMQHKQWMJNJE-AWEZNQCLSA-N 0 0 323.364 2.461 10 30 DEEERN C=C(C)C(C)(C)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000629433550 367198289 /nfs/dbraw/zinc/19/82/89/367198289.db2.gz QDBRUHAJHWULOS-INIZCTEOSA-N 0 0 317.433 2.001 10 30 DEEERN CC(=O)c1cc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)n(C)c1 ZINC000629476088 367213119 /nfs/dbraw/zinc/21/31/19/367213119.db2.gz PIQDDDNBMMESEP-UHFFFAOYSA-N 0 0 322.368 2.036 10 30 DEEERN C=C[C@@](C)(O)C(=O)N1CC(Cc2ccccc2Br)C1 ZINC000629604448 367270985 /nfs/dbraw/zinc/27/09/85/367270985.db2.gz VIMSLEYIYSMQOO-OAHLLOKOSA-N 0 0 324.218 2.387 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1OC ZINC000629760104 367327054 /nfs/dbraw/zinc/32/70/54/367327054.db2.gz BZZKULVWWMELHL-DXCKQFNASA-N 0 0 317.385 2.245 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1scnc1-c1ccccc1 ZINC000450845251 242298978 /nfs/dbraw/zinc/29/89/78/242298978.db2.gz MRIFMJYMLLCHOS-CYBMUJFWSA-N 0 0 302.399 2.406 10 30 DEEERN N#CCc1ccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)cc1 ZINC000092131806 193166800 /nfs/dbraw/zinc/16/68/00/193166800.db2.gz CUHWMWJQFHTRQK-UHFFFAOYSA-N 0 0 318.320 2.468 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)C1(C)CC1 ZINC000451126812 242626152 /nfs/dbraw/zinc/62/61/52/242626152.db2.gz SMNRLDQOBQNAAC-UHFFFAOYSA-N 0 0 310.375 2.465 10 30 DEEERN C=C1CC(C)(C(=O)NCc2ccc(OCCO)c(OC)c2)C1 ZINC000630781582 367842163 /nfs/dbraw/zinc/84/21/63/367842163.db2.gz LYQVQPIJSMNHHU-UHFFFAOYSA-N 0 0 305.374 2.039 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H](C)N2CCc3ccccc32)C1=O ZINC000630970353 367942839 /nfs/dbraw/zinc/94/28/39/367942839.db2.gz MQFYLEUFPXBIPB-HIFRSBDPSA-N 0 0 313.401 2.324 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H](C)N2CCc3ccccc32)C1=O ZINC000630970368 367943073 /nfs/dbraw/zinc/94/30/73/367943073.db2.gz MQFYLEUFPXBIPB-ZFWWWQNUSA-N 0 0 313.401 2.324 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H]2OCCc3ccccc32)C1=O ZINC000630972081 367943746 /nfs/dbraw/zinc/94/37/46/367943746.db2.gz FUSFOIWCIKEWDL-GJZGRUSLSA-N 0 0 300.358 2.187 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccc(OCC3CC3)nc2)C1=O ZINC000630972360 367944104 /nfs/dbraw/zinc/94/41/04/367944104.db2.gz VDBYVXWQDCJWBV-CQSZACIVSA-N 0 0 315.373 2.257 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@H](C)Oc2ccccc2F)C1=O ZINC000630973388 367944940 /nfs/dbraw/zinc/94/49/40/367944940.db2.gz CIESSCLUGVLUFM-WCQYABFASA-N 0 0 306.337 2.480 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H](C)Oc2ccccc2OC)C1=O ZINC000630973873 367945216 /nfs/dbraw/zinc/94/52/16/367945216.db2.gz GCQGIVVDLCAPPF-STQMWFEESA-N 0 0 318.373 2.349 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2CCO[C@@H](c3ccncc3)C2)C1=O ZINC000630983776 367949319 /nfs/dbraw/zinc/94/93/19/367949319.db2.gz SHSLVCFNKMDDNT-SOUVJXGZSA-N 0 0 315.373 2.188 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H](CCO)c2ccccc2)C1=O ZINC000630982400 367949374 /nfs/dbraw/zinc/94/93/74/367949374.db2.gz OLQJSNANEWEZAA-CABCVRRESA-N 0 0 302.374 2.039 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2CCC[C@@H]2Cc2cnn(C)c2)C1=O ZINC000630988921 367953023 /nfs/dbraw/zinc/95/30/23/367953023.db2.gz WRQSWHGIVCOBDF-QLFBSQMISA-N 0 0 316.405 2.018 10 30 DEEERN C=CC[C@H](C)NC(=O)Cc1nnc(-c2ccccc2OC)o1 ZINC000631343488 368163887 /nfs/dbraw/zinc/16/38/87/368163887.db2.gz DNIQERLBSNAEFK-NSHDSACASA-N 0 0 301.346 2.369 10 30 DEEERN C=C1CC(C)(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1 ZINC000631436092 368222112 /nfs/dbraw/zinc/22/21/12/368222112.db2.gz GSJILXLDFUZJPK-CYBMUJFWSA-N 0 0 312.369 2.187 10 30 DEEERN CC#CCN(C)S(=O)(=O)c1cc(OC)cc(C(F)(F)F)c1 ZINC000451593445 243169331 /nfs/dbraw/zinc/16/93/31/243169331.db2.gz PYAZTUHHPPOONM-UHFFFAOYSA-N 0 0 321.320 2.358 10 30 DEEERN CCc1ccc([C@@H]2CN(C(=O)c3ccc(C#N)n3C)CCN2)cc1 ZINC000451663817 243283076 /nfs/dbraw/zinc/28/30/76/243283076.db2.gz MTXNOFIFJHFJAM-KRWDZBQOSA-N 0 0 322.412 2.246 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCC(C)(C)CO ZINC000452431872 244289866 /nfs/dbraw/zinc/28/98/66/244289866.db2.gz CESHOJDWKRKLDL-MRXNPFEDSA-N 0 0 318.417 2.486 10 30 DEEERN C=CCOCCCC(=O)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452478265 244321784 /nfs/dbraw/zinc/32/17/84/244321784.db2.gz LBCDTURKQAGFQT-AEFFLSMTSA-N 0 0 321.392 2.296 10 30 DEEERN C#CCNC(=O)[C@@H](C)Sc1cc(Br)ccc1N ZINC000093427176 193249387 /nfs/dbraw/zinc/24/93/87/193249387.db2.gz ITLQDLWQGRXPQH-MRVPVSSYSA-N 0 0 313.220 2.261 10 30 DEEERN Cc1csc([C@H](C)NC(=O)c2csc(C#CCO)c2)n1 ZINC000093975328 193333228 /nfs/dbraw/zinc/33/32/28/193333228.db2.gz ZBRITDYUMJFHOL-JTQLQIEISA-N 0 0 306.412 2.348 10 30 DEEERN COc1ccc(CNC(=O)c2csc(C#CCO)c2)cc1 ZINC000093973651 193333253 /nfs/dbraw/zinc/33/32/53/193333253.db2.gz JATSPQSQOBIEAF-UHFFFAOYSA-N 0 0 301.367 2.031 10 30 DEEERN CC1(C)CC[C@@](C#N)([C@@H]2CS(=O)(=O)c3ccccc32)C1=O ZINC000094314583 193358799 /nfs/dbraw/zinc/35/87/99/193358799.db2.gz UUTVXSYFTRPNOJ-MLGOLLRUSA-N 0 0 303.383 2.457 10 30 DEEERN C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C#CCCO)ccc1Cl ZINC000094179971 193347426 /nfs/dbraw/zinc/34/74/26/193347426.db2.gz SLKNXYUMHBHONV-WCQYABFASA-N 0 0 307.777 2.437 10 30 DEEERN N#Cc1ccccc1NC(=O)C[S@](=O)c1cccc(F)c1 ZINC000094627041 193385614 /nfs/dbraw/zinc/38/56/14/193385614.db2.gz KEAORIGCWYKJLX-OAQYLSRUSA-N 0 0 302.330 2.444 10 30 DEEERN CCN(C[C@@H](C)C#N)S(=O)(=O)c1cc(N)c(C)cc1Cl ZINC000094638055 193386809 /nfs/dbraw/zinc/38/68/09/193386809.db2.gz PGQBSJNEJBPWBY-VIFPVBQESA-N 0 0 315.826 2.401 10 30 DEEERN C=CCN1C(=O)N=C(N)[C@@H]1c1cc(Br)ccc1OC ZINC000094516408 193376509 /nfs/dbraw/zinc/37/65/09/193376509.db2.gz MCDOICYBLCQJJW-NSHDSACASA-N 0 0 324.178 2.478 10 30 DEEERN CCCCN(CCO)C(=O)c1cc(C)c(C#CCCO)s1 ZINC000094534331 193377252 /nfs/dbraw/zinc/37/72/52/193377252.db2.gz UJSPZNVGMVWEHW-UHFFFAOYSA-N 0 0 309.431 2.025 10 30 DEEERN Cc1cc(Cl)c(N)cc1S(=O)(=O)N(C)C[C@H](C)C#N ZINC000094832369 193401901 /nfs/dbraw/zinc/40/19/01/193401901.db2.gz AVSINUHBFLAKQZ-MRVPVSSYSA-N 0 0 301.799 2.011 10 30 DEEERN CCC1(CC)CCN(S(=O)(=O)c2ccc(C#N)cc2N)C1 ZINC000094795239 193398804 /nfs/dbraw/zinc/39/88/04/193398804.db2.gz RMMHKKZJTKBALN-UHFFFAOYSA-N 0 0 307.419 2.341 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC#Cc1ccc(F)cc1 ZINC000248874279 284209639 /nfs/dbraw/zinc/20/96/39/284209639.db2.gz VRNSHEBEUVBSQH-UAGQMJEPSA-N 0 0 301.361 2.451 10 30 DEEERN COc1ccc(C#CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000096345098 193614520 /nfs/dbraw/zinc/61/45/20/193614520.db2.gz PXGMBYVAGBRGHR-UHFFFAOYSA-N 0 0 310.309 2.385 10 30 DEEERN C=C(C)Cn1c(N(C)C[C@@H](C)C#N)nnc1[C@@]1(C)CCCO1 ZINC000453464747 245156345 /nfs/dbraw/zinc/15/63/45/245156345.db2.gz LKNAPGHJWXIZTD-XJKSGUPXSA-N 0 0 303.410 2.476 10 30 DEEERN C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CCF)C2=O)cc1 ZINC000096546835 193678104 /nfs/dbraw/zinc/67/81/04/193678104.db2.gz LROFFCJAYUKXKQ-MRXNPFEDSA-N 0 0 306.337 2.378 10 30 DEEERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)C(C)(C)C#N)C1 ZINC000151397146 291531417 /nfs/dbraw/zinc/53/14/17/291531417.db2.gz LWHYPIBLPUGQBG-HUUCEWRRSA-N 0 0 314.385 2.341 10 30 DEEERN C=CCc1ccc(O)c(-c2cc(C[C@@H](O)CO)ccc2O)c1 ZINC000014585200 181960894 /nfs/dbraw/zinc/96/08/94/181960894.db2.gz ORPULAPYNPMMAQ-CQSZACIVSA-N 0 0 300.354 2.389 10 30 biogenic,in-vitro DEEERN CNS(=O)(=O)c1ccccc1NCc1ccc(C#N)s1 ZINC000161117119 197466866 /nfs/dbraw/zinc/46/68/66/197466866.db2.gz WGMDWBQACCQIQW-UHFFFAOYSA-N 0 0 307.400 2.140 10 30 DEEERN Clc1cccc(C#CCN2CCO[C@H](Cn3cccn3)C2)c1 ZINC000159986542 197377670 /nfs/dbraw/zinc/37/76/70/197377670.db2.gz VSOKCXFXOHFRBO-KRWDZBQOSA-N 0 0 315.804 2.289 10 30 DEEERN C[C@@H](Nc1cccc(S(N)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000021515590 182277475 /nfs/dbraw/zinc/27/74/75/182277475.db2.gz XPLJKWRPOXTMDA-LLVKDONJSA-N 0 0 301.371 2.379 10 30 DEEERN CC(=O)[C@@H](NC(=O)COc1ccc(C#N)cc1Cl)C(C)C ZINC000021913043 182298149 /nfs/dbraw/zinc/29/81/49/182298149.db2.gz ZCJMHTBKQYWRPX-HNNXBMFYSA-N 0 0 308.765 2.320 10 30 DEEERN C=CCCCC(=O)N1CCCc2c(OCC(N)=O)cccc21 ZINC000456243627 247041574 /nfs/dbraw/zinc/04/15/74/247041574.db2.gz OTMWYKFPGFPNPH-UHFFFAOYSA-N 0 0 302.374 2.186 10 30 DEEERN C=CCC[C@@H](NC(=O)Cn1ncc2ccccc21)C(=O)OCC ZINC000456620276 247316124 /nfs/dbraw/zinc/31/61/24/247316124.db2.gz CKPGRUZEEGGIRZ-CQSZACIVSA-N 0 0 315.373 2.050 10 30 DEEERN C=CCC[C@H](NC(=O)[C@H](C)n1nc(C)cc1C)C(=O)OCC ZINC000456631498 247325313 /nfs/dbraw/zinc/32/53/13/247325313.db2.gz SGPIJDMASYQCOF-KBPBESRZSA-N 0 0 307.394 2.075 10 30 DEEERN CCS(=O)(=O)c1cccc(C(=O)NCC(C)(C)CC#N)c1 ZINC000457999288 248106070 /nfs/dbraw/zinc/10/60/70/248106070.db2.gz ZAMSMZGVGSBQSE-UHFFFAOYSA-N 0 0 308.403 2.150 10 30 DEEERN C=C(C)CCNC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000459010644 248565488 /nfs/dbraw/zinc/56/54/88/248565488.db2.gz XAKWOCIABZZEAN-OAHLLOKOSA-N 0 0 301.390 2.225 10 30 DEEERN C=CCn1c(CC(=O)Nc2ccc(OC)cc2)n[nH]c1=S ZINC000038536738 183001527 /nfs/dbraw/zinc/00/15/27/183001527.db2.gz TWKAGNCJADOZPB-UHFFFAOYSA-N 0 0 304.375 2.316 10 30 DEEERN C#CCn1c(CN(C)C(=O)c2ccncc2)nc2ccccc21 ZINC000040183930 183044999 /nfs/dbraw/zinc/04/49/99/183044999.db2.gz IEOAVGVEAJKLBB-UHFFFAOYSA-N 0 0 304.353 2.337 10 30 DEEERN Cc1ccc(Nc2ncnc(N(CC#N)CC#N)c2[N+](=O)[O-])cc1 ZINC000040617945 183110050 /nfs/dbraw/zinc/11/00/50/183110050.db2.gz CMYGFFAPXCHAQC-UHFFFAOYSA-N 0 0 323.316 2.290 10 30 DEEERN CC(=O)N1CCN([C@H](C#N)c2cccc(Br)c2)CC1 ZINC000040630420 183111310 /nfs/dbraw/zinc/11/13/10/183111310.db2.gz DDMCYUIOPCXTJP-CQSZACIVSA-N 0 0 322.206 2.178 10 30 DEEERN COCc1cc(NC(=O)N(C)Cc2cccc(C#N)c2)ncn1 ZINC000161614073 291676696 /nfs/dbraw/zinc/67/66/96/291676696.db2.gz DOZQSGVPZGNHBQ-UHFFFAOYSA-N 0 0 311.345 2.159 10 30 DEEERN CCOc1ccc([C@H](C#N)N2CCN(C(=O)C(C)C)CC2)cc1 ZINC000041261182 183182079 /nfs/dbraw/zinc/18/20/79/183182079.db2.gz YEOOZVBERWIJIH-KRWDZBQOSA-N 0 0 315.417 2.450 10 30 DEEERN CN(CC(=O)N(C)CCC#N)Cc1ccccc1Br ZINC000042312777 183252991 /nfs/dbraw/zinc/25/29/91/183252991.db2.gz OANSYJLHKZVEJK-UHFFFAOYSA-N 0 0 324.222 2.253 10 30 DEEERN C=CCNC(=O)[C@@H](C)Oc1c(Br)cccc1C=O ZINC000042412045 183266329 /nfs/dbraw/zinc/26/63/29/183266329.db2.gz AWSZPIWWGBZPHQ-SECBINFHSA-N 0 0 312.163 2.331 10 30 DEEERN C[C@H](CN(C)C(=O)c1cc(Cl)ccc1Cl)/C(N)=N/O ZINC000042459105 183272723 /nfs/dbraw/zinc/27/27/23/183272723.db2.gz CBQDOIAHXPZFBO-SSDOTTSWSA-N 0 0 304.177 2.448 10 30 DEEERN C[C@@H](CN(C)Cc1ccc(F)cc1Br)/C(N)=N/O ZINC000042457822 183273119 /nfs/dbraw/zinc/27/31/19/183273119.db2.gz GBERXESTIUYJAE-QMMMGPOBSA-N 0 0 318.190 2.403 10 30 DEEERN Cc1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c2ccccc2n1 ZINC000370995657 291705743 /nfs/dbraw/zinc/70/57/43/291705743.db2.gz AXQJWFLBZWCCCM-OAHLLOKOSA-N 0 0 320.396 2.356 10 30 DEEERN CCCCC[C@@H](C)NS(=O)(=O)c1ccc(C#CCO)cc1 ZINC000049106235 183713433 /nfs/dbraw/zinc/71/34/33/183713433.db2.gz FXZYKRLQGYKSIR-CQSZACIVSA-N 0 0 309.431 2.278 10 30 DEEERN CC(C)c1nnc2sc(C(=O)Nc3ccc(C#N)cc3)nn21 ZINC000049661421 183752758 /nfs/dbraw/zinc/75/27/58/183752758.db2.gz CMOJIDNOZRULMY-UHFFFAOYSA-N 0 0 312.358 2.433 10 30 DEEERN CCC[C@H](CC)NS(=O)(=O)c1cccc(C#CCCO)c1 ZINC000050398614 183785078 /nfs/dbraw/zinc/78/50/78/183785078.db2.gz YYCILMAWPVQGRK-HNNXBMFYSA-N 0 0 309.431 2.278 10 30 DEEERN C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)c1cc(C#N)ccn1 ZINC000285432527 218434263 /nfs/dbraw/zinc/43/42/63/218434263.db2.gz OZMLAEBMCSOVBT-LESCRADOSA-N 0 0 313.401 2.499 10 30 DEEERN C#CCOC[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000056923079 184021823 /nfs/dbraw/zinc/02/18/23/184021823.db2.gz YWJMUJLBAPNVHJ-CQSZACIVSA-N 0 0 316.357 2.405 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccc(OCCC)c(OC)c1 ZINC000273200855 210577530 /nfs/dbraw/zinc/57/75/30/210577530.db2.gz FCLGWGLVOOBUGD-AWEZNQCLSA-N 0 0 322.405 2.220 10 30 DEEERN CCCOc1ccc(Br)cc1/C=N\NC(N)=S ZINC000059798154 184140811 /nfs/dbraw/zinc/14/08/11/184140811.db2.gz NFKFOBOIAZRHMX-AUWJEWJLSA-N 0 0 316.224 2.405 10 30 DEEERN CN(c1ccc(C#N)cc1)S(=O)(=O)c1cc(N)ccc1F ZINC000061979688 184200052 /nfs/dbraw/zinc/20/00/52/184200052.db2.gz CGESVHWPJSBIBB-UHFFFAOYSA-N 0 0 305.334 2.105 10 30 DEEERN C[C@H](CC#N)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000063092747 184270176 /nfs/dbraw/zinc/27/01/76/184270176.db2.gz ZCIZBVOAWAEMLY-MRVPVSSYSA-N 0 0 317.754 2.171 10 30 DEEERN C=CCN(CC=C)C(=O)CNc1ccc(N(C)C(C)=O)cc1 ZINC000066194741 184395746 /nfs/dbraw/zinc/39/57/46/184395746.db2.gz LYCBKJIYZHZTGZ-UHFFFAOYSA-N 0 0 301.390 2.282 10 30 DEEERN C=CCN(CC=C)CC(=O)Nc1cccc(C(=O)NCCC)c1 ZINC000066215830 184397299 /nfs/dbraw/zinc/39/72/99/184397299.db2.gz CILISZBKUPHCNM-UHFFFAOYSA-N 0 0 315.417 2.439 10 30 DEEERN COC(=O)C1(N(C)C(=O)Cc2cccc(C#N)c2)CCCCC1 ZINC000536293078 284939572 /nfs/dbraw/zinc/93/95/72/284939572.db2.gz TURGTPRKQNNUEA-UHFFFAOYSA-N 0 0 314.385 2.435 10 30 DEEERN C#CCN1C(=O)N=C(N)[C@@H]1c1ccc(Br)c(F)c1 ZINC000162045645 197539138 /nfs/dbraw/zinc/53/91/38/197539138.db2.gz KWLCRIJVXZWCJF-JTQLQIEISA-N 0 0 310.126 2.055 10 30 DEEERN CSc1nc(=O)[nH]c(C)c1C(=O)NCC1CCC(C#N)CC1 ZINC000442975810 533078590 /nfs/dbraw/zinc/07/85/90/533078590.db2.gz VKLLTFQJNXEVDK-UHFFFAOYSA-N 0 0 320.418 2.272 10 30 DEEERN CNc1ncnc2c1cnn2Cc1cn2ccccc2c1C#N ZINC000194428570 533090162 /nfs/dbraw/zinc/09/01/62/533090162.db2.gz VZCUHTUOIQIPJM-UHFFFAOYSA-N 0 0 303.329 2.041 10 30 DEEERN C[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)S(=O)(=O)C1 ZINC000158402094 197269393 /nfs/dbraw/zinc/26/93/93/197269393.db2.gz ZWCYQZNPBPZDPI-QMMMGPOBSA-N 0 0 304.293 2.363 10 30 DEEERN CS(=O)(=O)c1ccc(CNc2ccncc2C#N)cc1Cl ZINC000557684812 291875431 /nfs/dbraw/zinc/87/54/31/291875431.db2.gz SZCWMOQYLIWPLY-UHFFFAOYSA-N 0 0 321.789 2.044 10 30 DEEERN C=C(Br)CNC(=O)c1cc(N)c2ccccc2n1 ZINC000158291833 197259951 /nfs/dbraw/zinc/25/99/51/197259951.db2.gz WLRMRLSTPNFUBW-UHFFFAOYSA-N 0 0 306.163 2.455 10 30 DEEERN CC[C@H]1CN(C(=O)c2cc(C#CCO)ccc2F)CCS1 ZINC000157972214 197232390 /nfs/dbraw/zinc/23/23/90/197232390.db2.gz IMBGCBGGZKHVPA-ZDUSSCGKSA-N 0 0 307.390 2.137 10 30 DEEERN CCOC(=O)C1(N(C)C(=O)c2cc(C#N)cn2C)CCCCC1 ZINC000157826628 197219010 /nfs/dbraw/zinc/21/90/10/197219010.db2.gz ISDLMTARNQLUNK-UHFFFAOYSA-N 0 0 317.389 2.235 10 30 DEEERN N#C[C@@]1([C@@H](O)c2ccc(C(F)(F)F)cc2)CCS(=O)(=O)C1 ZINC000157642283 197205005 /nfs/dbraw/zinc/20/50/05/197205005.db2.gz FWFMZSRERGZOLV-RYUDHWBXSA-N 0 0 319.304 2.067 10 30 DEEERN C=CCn1ncc(NCCCCOC)c(Br)c1=O ZINC000157072850 197159895 /nfs/dbraw/zinc/15/98/95/197159895.db2.gz WNZRXBWSJYLQQX-UHFFFAOYSA-N 0 0 316.199 2.030 10 30 DEEERN C[C@@H](C#N)CN(C)C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000362816961 533135373 /nfs/dbraw/zinc/13/53/73/533135373.db2.gz GZMYOPQTQBKPTG-STQMWFEESA-N 0 0 303.362 2.018 10 30 DEEERN N#Cc1ccccc1CS(=O)(=O)NC[C@H]1CCCCS1 ZINC000156423847 197112842 /nfs/dbraw/zinc/11/28/42/197112842.db2.gz XIWMTWGOVBKIFJ-CQSZACIVSA-N 0 0 310.444 2.263 10 30 DEEERN O=C(NCc1sccc1C#CCCO)[C@@H]1CCCCS1 ZINC000156276461 197100663 /nfs/dbraw/zinc/10/06/63/197100663.db2.gz CRVPWGLRGIYXDN-ZDUSSCGKSA-N 0 0 309.456 2.384 10 30 DEEERN O=C(NCc1cc(C#CCO)ccc1F)[C@@H]1CCCCS1 ZINC000156271557 197100012 /nfs/dbraw/zinc/10/00/12/197100012.db2.gz MEFHPPLVACAZSC-HNNXBMFYSA-N 0 0 307.390 2.071 10 30 DEEERN COC(=O)C1(CNC(=O)Cc2cccc(C#N)c2)CCCCC1 ZINC000542340720 285218472 /nfs/dbraw/zinc/21/84/72/285218472.db2.gz LVENJFLZTCTXNT-UHFFFAOYSA-N 0 0 314.385 2.340 10 30 DEEERN COC[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H](C)O1 ZINC000188233658 533167867 /nfs/dbraw/zinc/16/78/67/533167867.db2.gz VKVTXODWAQMMPY-CZUORRHYSA-N 0 0 314.385 2.118 10 30 DEEERN O=C(Nc1ccc(Cl)cc1C#CCCO)c1cnns1 ZINC000125205385 195723239 /nfs/dbraw/zinc/72/32/39/195723239.db2.gz JRQMSRKEUMEZAW-UHFFFAOYSA-N 0 0 307.762 2.178 10 30 DEEERN CCC(CC)CNS(=O)(=O)c1ccc(C#CCCO)cc1 ZINC000125454492 195751494 /nfs/dbraw/zinc/75/14/94/195751494.db2.gz ONBQEPPKWPYOOI-UHFFFAOYSA-N 0 0 309.431 2.135 10 30 DEEERN C[C@@]1(CNS(=O)(=O)c2ccc(CC#N)cc2)CCCS1 ZINC000126207584 195820137 /nfs/dbraw/zinc/82/01/37/195820137.db2.gz IBLRDMVAUWZKAF-AWEZNQCLSA-N 0 0 310.444 2.317 10 30 DEEERN C#CC[C@@H](C)NC(=O)c1ccc(I)cc1 ZINC000127690618 195900965 /nfs/dbraw/zinc/90/09/65/195900965.db2.gz CJJPRTIJPBYZSO-SECBINFHSA-N 0 0 313.138 2.433 10 30 DEEERN COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC(C)(C#N)CC1)C2 ZINC000370363919 533280325 /nfs/dbraw/zinc/28/03/25/533280325.db2.gz AQZWATVDJLMOGY-AWEZNQCLSA-N 0 0 314.385 2.399 10 30 DEEERN Brc1cncc2[nH]cc(C#CCN3CCOCC3)c21 ZINC000725246054 542769965 /nfs/dbraw/zinc/76/99/65/542769965.db2.gz QDWGLUGMFSWXRT-UHFFFAOYSA-N 0 0 320.190 2.009 10 30 DEEERN N#Cc1ccc(C(F)(F)F)nc1NC[C@H](O)COCC1CC1 ZINC000360279374 133173272 /nfs/dbraw/zinc/17/32/72/133173272.db2.gz OWIDRHKYYNUSEX-NSHDSACASA-N 0 0 315.295 2.171 10 30 DEEERN COC[C@](C)(NC(=O)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000362204721 133216691 /nfs/dbraw/zinc/21/66/91/133216691.db2.gz PEGAWFBOKMUAQO-ZDUSSCGKSA-N 0 0 300.280 2.184 10 30 DEEERN Cc1c(C#CCCO)cccc1C(=O)NCc1cncs1 ZINC000128567208 195974322 /nfs/dbraw/zinc/97/43/22/195974322.db2.gz HDQNFNMCHHUKNR-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN N#Cc1cccc(CC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000547761998 285634061 /nfs/dbraw/zinc/63/40/61/285634061.db2.gz COYQHZBCBJILQR-UHFFFAOYSA-N 0 0 309.325 2.368 10 30 DEEERN CC(C)(C)c1nnc(CNC(=O)N2CCN(C3CC3)CC2)s1 ZINC000329882821 404481214 /nfs/dbraw/zinc/48/12/14/404481214.db2.gz QKTFEXWCWVMZES-UHFFFAOYSA-N 0 0 323.466 2.030 10 30 DEEERN N#Cc1ccc(C2(C(=O)NCc3nccn3C(F)F)CC2)cc1 ZINC000188978264 145020512 /nfs/dbraw/zinc/02/05/12/145020512.db2.gz ZPICIBURPMLRQO-UHFFFAOYSA-N 0 0 316.311 2.498 10 30 DEEERN N#Cc1c(Cl)nsc1N1CCC[C@H](c2ccnc(N)n2)C1 ZINC000192755679 145078333 /nfs/dbraw/zinc/07/83/33/145078333.db2.gz BJDJVYBDZCGQHU-QMMMGPOBSA-N 0 0 320.809 2.424 10 30 DEEERN Cc1cc(NC(=O)c2ccnc(C#N)c2)ccc1C(=O)N(C)C ZINC000193332089 145085382 /nfs/dbraw/zinc/08/53/82/145085382.db2.gz GUIMMNWOJMAAAV-UHFFFAOYSA-N 0 0 308.341 2.216 10 30 DEEERN COCc1nc2cc(NC(=O)c3ccnc(C#N)c3)ccc2o1 ZINC000193466528 145086185 /nfs/dbraw/zinc/08/61/85/145086185.db2.gz LIBGDVZHMHJXLT-UHFFFAOYSA-N 0 0 308.297 2.493 10 30 DEEERN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@H]1c1cnn(C)c1 ZINC000246449786 145103022 /nfs/dbraw/zinc/10/30/22/145103022.db2.gz MQCIGNNOVJPYCV-DLBZAZTESA-N 0 0 324.384 2.343 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](CO)C1CC1 ZINC000358342574 147116376 /nfs/dbraw/zinc/11/63/76/147116376.db2.gz SIKPTFSHXKIJSF-WBVHZDCISA-N 0 0 316.401 2.096 10 30 DEEERN COc1c(Cl)cccc1NC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000358556353 147155927 /nfs/dbraw/zinc/15/59/27/147155927.db2.gz AQFPCWKCBPZZJR-QMMMGPOBSA-N 0 0 305.725 2.011 10 30 DEEERN Cc1nc(CN(C)Cc2ccc(C#N)cc2OC(F)F)no1 ZINC000359526697 147344092 /nfs/dbraw/zinc/34/40/92/147344092.db2.gz DIGZLVMOGCTPFU-UHFFFAOYSA-N 0 0 308.288 2.483 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)CC(=O)OC ZINC000127437569 401734998 /nfs/dbraw/zinc/73/49/98/401734998.db2.gz OOHGNDAYRZCDNW-GFCCVEGCSA-N 0 0 320.345 2.309 10 30 DEEERN C=CCn1c(Sc2cnc(C#N)cn2)nnc1-c1ccccn1 ZINC000127500437 401737607 /nfs/dbraw/zinc/73/76/07/401737607.db2.gz GUWBBGAOFGMJDQ-UHFFFAOYSA-N 0 0 321.369 2.339 10 30 DEEERN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCCSCC2)c1 ZINC000126724354 401706010 /nfs/dbraw/zinc/70/60/10/401706010.db2.gz QPEDXZBTEPAOGV-UHFFFAOYSA-N 0 0 316.835 2.339 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@H]2c2ccccc2)cn1 ZINC000111358442 401713159 /nfs/dbraw/zinc/71/31/59/401713159.db2.gz ISULPSQEXNRHDJ-BBRMVZONSA-N 0 0 313.382 2.035 10 30 DEEERN CCNc1ncc(C(=O)NCCOc2ccc(C#N)cc2)s1 ZINC000129278626 401801353 /nfs/dbraw/zinc/80/13/53/401801353.db2.gz JBVFEHBTKXCPRF-UHFFFAOYSA-N 0 0 316.386 2.255 10 30 DEEERN CCCCCCCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000127895054 401754290 /nfs/dbraw/zinc/75/42/90/401754290.db2.gz RTRYYCYJZIZETD-MRXNPFEDSA-N 0 0 324.465 2.444 10 30 DEEERN Cn1c2ccc(NCc3cnc4ccc(C#N)cn34)cc2oc1=O ZINC000127921314 401755672 /nfs/dbraw/zinc/75/56/72/401755672.db2.gz LAECJUPNCMSENA-UHFFFAOYSA-N 0 0 319.324 2.263 10 30 DEEERN C[C@H]1CC[C@@H](CCC(=O)NCCOc2ccc(C#N)cc2)O1 ZINC000076210939 401786989 /nfs/dbraw/zinc/78/69/89/401786989.db2.gz DEXKIYGTHMSLCP-BBRMVZONSA-N 0 0 302.374 2.401 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(NC(C)=O)ccc1C ZINC000077862137 401835234 /nfs/dbraw/zinc/83/52/34/401835234.db2.gz ZPNAYLWCGOJBIX-UHFFFAOYSA-N 0 0 317.389 2.317 10 30 DEEERN CCOc1ncccc1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000130799349 401838924 /nfs/dbraw/zinc/83/89/24/401838924.db2.gz YKCQVNSIDDPEPI-UHFFFAOYSA-N 0 0 323.352 2.255 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)[C@H]3COc4ccccc43)C2)cc1 ZINC000130829143 401839987 /nfs/dbraw/zinc/83/99/87/401839987.db2.gz VTNQFVYKKGNLGL-KRWDZBQOSA-N 0 0 320.348 2.324 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116112383 401842126 /nfs/dbraw/zinc/84/21/26/401842126.db2.gz ZBXFYXHVILOHNU-UKRRQHHQSA-N 0 0 324.384 2.075 10 30 DEEERN COc1ccc(OC)c(CN(C(=O)CSCC#N)C2CC2)c1 ZINC000041825046 401930403 /nfs/dbraw/zinc/93/04/03/401930403.db2.gz NXLRXUIAGPEJTM-UHFFFAOYSA-N 0 0 320.414 2.452 10 30 DEEERN C=CCOCCCC(=O)NC1CCN(c2ccccn2)CC1 ZINC000079558590 401876096 /nfs/dbraw/zinc/87/60/96/401876096.db2.gz CYAPQFIYBGFAOW-UHFFFAOYSA-N 0 0 303.406 2.149 10 30 DEEERN CCOCCN1CCN(C(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000117397608 401876524 /nfs/dbraw/zinc/87/65/24/401876524.db2.gz NVUQATIKSPVVIA-CQSZACIVSA-N 0 0 316.405 2.133 10 30 DEEERN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccccc1Br ZINC000119234511 401934905 /nfs/dbraw/zinc/93/49/05/401934905.db2.gz LPUKDIMPJYPVJQ-GHMZBOCLSA-N 0 0 309.207 2.238 10 30 DEEERN Cn1ccnc1-c1cc(NC(=O)c2sccc2C#N)n(C)n1 ZINC000135736403 401952426 /nfs/dbraw/zinc/95/24/26/401952426.db2.gz VRDYTKWXEHRAHU-UHFFFAOYSA-N 0 0 312.358 2.006 10 30 DEEERN C=C(C)COCCNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000136161924 401961950 /nfs/dbraw/zinc/96/19/50/401961950.db2.gz VKEHRNCXSHJZQQ-CABCVRRESA-N 0 0 317.385 2.270 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000135385464 401938417 /nfs/dbraw/zinc/93/84/17/401938417.db2.gz SJXNNTXKSBAKDA-CJNGLKHVSA-N 0 0 305.374 2.273 10 30 DEEERN N#Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000135439763 401939264 /nfs/dbraw/zinc/93/92/64/401939264.db2.gz QMYIFDPSRLCBCE-QGZVFWFLSA-N 0 0 308.337 2.478 10 30 DEEERN C=CCOc1ccccc1CN1CCC[C@@H]1C(=O)NC1CC1 ZINC000121470672 402037624 /nfs/dbraw/zinc/03/76/24/402037624.db2.gz YRYIHUKWSXMBMR-MRXNPFEDSA-N 0 0 300.402 2.494 10 30 DEEERN C=CCCCN(C)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000092822947 402009727 /nfs/dbraw/zinc/00/97/27/402009727.db2.gz LIVCPHVCCXXMCO-UHFFFAOYSA-N 0 0 315.377 2.001 10 30 DEEERN CN(CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(C#N)o1 ZINC000093012563 402010445 /nfs/dbraw/zinc/01/04/45/402010445.db2.gz OUZSRRGPLIQDJL-UHFFFAOYSA-N 0 0 305.284 2.500 10 30 DEEERN Cc1ccc(N2C[C@@H](C(=O)N[C@@](C)(C#N)C(C)C)CC2=O)cc1 ZINC000122214190 402067202 /nfs/dbraw/zinc/06/72/02/402067202.db2.gz VCHROTKBYYEKPE-KSSFIOAISA-N 0 0 313.401 2.402 10 30 DEEERN Cc1cc(C)cc(N(CCC#N)C(=O)Cn2ccnc2C#N)c1 ZINC000124017002 402159799 /nfs/dbraw/zinc/15/97/99/402159799.db2.gz QAZCBBINCPTNAA-UHFFFAOYSA-N 0 0 307.357 2.319 10 30 DEEERN CN(Cc1nccn1Cc1ccccc1)c1cnc(C#N)cn1 ZINC000125803932 402251042 /nfs/dbraw/zinc/25/10/42/402251042.db2.gz JFCPOKJCXRFYHY-UHFFFAOYSA-N 0 0 304.357 2.229 10 30 DEEERN C#CCOCCC(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000155369581 402254717 /nfs/dbraw/zinc/25/47/17/402254717.db2.gz BFPDSHIMGGPPQC-AWEZNQCLSA-N 0 0 311.385 2.398 10 30 DEEERN CCN(C(=O)c1cc(C(N)=O)cn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000125925879 402257358 /nfs/dbraw/zinc/25/73/58/402257358.db2.gz KERSITJXARKHNC-GFCCVEGCSA-N 0 0 324.384 2.219 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N(C)CCC3CC3)cc2C1=O ZINC000156312790 402278926 /nfs/dbraw/zinc/27/89/26/402278926.db2.gz QDPNIMPFYZTPGK-UHFFFAOYSA-N 0 0 312.369 2.341 10 30 DEEERN C=C(C)CNC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000156579431 402284954 /nfs/dbraw/zinc/28/49/54/402284954.db2.gz RVNTZEUFTSKJAL-UHFFFAOYSA-N 0 0 323.343 2.008 10 30 DEEERN C=C(C)CNC(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000156677292 402287013 /nfs/dbraw/zinc/28/70/13/402287013.db2.gz RXRQVLCUJMWJHF-UHFFFAOYSA-N 0 0 307.369 2.242 10 30 DEEERN C#CCC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000184784624 402299743 /nfs/dbraw/zinc/29/97/43/402299743.db2.gz LIQUOEGDEGYNHY-ZFWWWQNUSA-N 0 0 302.418 2.038 10 30 DEEERN N#Cc1nccnc1N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000225519545 402319917 /nfs/dbraw/zinc/31/99/17/402319917.db2.gz XWZYQMGNQQVBQG-VIFPVBQESA-N 0 0 322.294 2.474 10 30 DEEERN C[C@@H](CNC(=O)c1cc(C#N)cn1C)COCc1ccccc1 ZINC000176870818 402344845 /nfs/dbraw/zinc/34/48/45/402344845.db2.gz ZCALNYOMTQQSRI-AWEZNQCLSA-N 0 0 311.385 2.479 10 30 DEEERN Cc1nnc(N2CC[C@H](C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000176955423 402354079 /nfs/dbraw/zinc/35/40/79/402354079.db2.gz WRXFSMJMSVDTPC-LBPRGKRZSA-N 0 0 302.378 2.133 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCC(=O)NCc1ccc(OC)cc1 ZINC000185496336 402356702 /nfs/dbraw/zinc/35/67/02/402356702.db2.gz KPSMQHGZCNANNS-CYBMUJFWSA-N 0 0 304.390 2.030 10 30 DEEERN C#CCOCCC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000160738898 402359102 /nfs/dbraw/zinc/35/91/02/402359102.db2.gz RGRXWUBQYXYPTA-MRXNPFEDSA-N 0 0 317.385 2.407 10 30 DEEERN N#Cc1ccc(Cl)c(S(=O)(=O)NCC[C@@H]2CCCO2)c1 ZINC000160799887 402361580 /nfs/dbraw/zinc/36/15/80/402361580.db2.gz IRUHHRQPLKLLLS-NSHDSACASA-N 0 0 314.794 2.059 10 30 DEEERN N#Cc1csc(C(=O)NCc2ccnc(-n3ccnc3)c2)c1 ZINC000177061319 402365691 /nfs/dbraw/zinc/36/56/91/402365691.db2.gz VBAONSRKBISSNT-UHFFFAOYSA-N 0 0 309.354 2.130 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000161461734 402388178 /nfs/dbraw/zinc/38/81/78/402388178.db2.gz JXYVNZQPRQUUSA-CYBMUJFWSA-N 0 0 305.426 2.324 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCCc1nc(-c2cccs2)no1 ZINC000185745781 402373563 /nfs/dbraw/zinc/37/35/63/402373563.db2.gz ADTNMNLBSUGPJF-LLVKDONJSA-N 0 0 321.402 2.174 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000185768062 402375162 /nfs/dbraw/zinc/37/51/62/402375162.db2.gz HSLXYHAVLGOJDU-CQSZACIVSA-N 0 0 305.374 2.309 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(-n2nc(C)cc2C)c(F)c1 ZINC000185780048 402376283 /nfs/dbraw/zinc/37/62/83/402376283.db2.gz DNNAQURIAKDYCL-AWEZNQCLSA-N 0 0 317.364 2.295 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1cccc(OCC(=O)OC)c1 ZINC000185805020 402378225 /nfs/dbraw/zinc/37/82/25/402378225.db2.gz JVTAQWXWOUZANQ-CYBMUJFWSA-N 0 0 305.374 2.457 10 30 DEEERN C=CC[C@H](CO)NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O ZINC000185796953 402378306 /nfs/dbraw/zinc/37/83/06/402378306.db2.gz IECDNPKFZXKPPQ-WBVHZDCISA-N 0 0 314.385 2.004 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 ZINC000185812044 402379277 /nfs/dbraw/zinc/37/92/77/402379277.db2.gz QPIPTMQYWMCZOC-OAHLLOKOSA-N 0 0 318.417 2.129 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000185814818 402379681 /nfs/dbraw/zinc/37/96/81/402379681.db2.gz SUYXBFLPUGAAKI-MWLCHTKSSA-N 0 0 301.745 2.300 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 ZINC000185861784 402383594 /nfs/dbraw/zinc/38/35/94/402383594.db2.gz ZDKNTVHWKBTOOT-NSHDSACASA-N 0 0 304.390 2.145 10 30 DEEERN CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000185132206 402326887 /nfs/dbraw/zinc/32/68/87/402326887.db2.gz SSYGLOQGYIVKAM-MRXNPFEDSA-N 0 0 322.430 2.287 10 30 DEEERN CNC(=O)c1ccc(Cl)c(NC(=O)c2cc(C#N)cn2C)c1 ZINC000176751811 402333904 /nfs/dbraw/zinc/33/39/04/402333904.db2.gz KWKFQFYXUQUQEH-UHFFFAOYSA-N 0 0 316.748 2.162 10 30 DEEERN CC[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1nccn1C ZINC000186013239 402396634 /nfs/dbraw/zinc/39/66/34/402396634.db2.gz JZJPJFHIULCQOQ-CQSZACIVSA-N 0 0 307.361 2.436 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000186345731 402423225 /nfs/dbraw/zinc/42/32/25/402423225.db2.gz RHEVUUMPULLHPB-YPMHNXCESA-N 0 0 322.409 2.415 10 30 DEEERN N#Cc1ccc(C2(C(=O)N3CCC[C@@H](n4cncn4)C3)CC2)cc1 ZINC000186646390 402451082 /nfs/dbraw/zinc/45/10/82/402451082.db2.gz LXNHBXAEAGOFTK-MRXNPFEDSA-N 0 0 321.384 2.045 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccnc(OC2CCCCC2)c1 ZINC000185951613 402392581 /nfs/dbraw/zinc/39/25/81/402392581.db2.gz CRFXULVNMMXHOL-AWEZNQCLSA-N 0 0 304.390 2.460 10 30 DEEERN C=CC[C@H](CO)[NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000186713381 402458491 /nfs/dbraw/zinc/45/84/91/402458491.db2.gz RQAYLQOGJQNAOK-SMDDNHRTSA-N 0 0 304.369 2.302 10 30 DEEERN N#CC1(CS(=O)(=O)NCCCCOCc2ccccc2)CC1 ZINC000164982836 402471284 /nfs/dbraw/zinc/47/12/84/402471284.db2.gz WNKCPTFVDHLKPY-UHFFFAOYSA-N 0 0 322.430 2.207 10 30 DEEERN N#Cc1ccc(C2(C(=O)NCc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000187218472 402488772 /nfs/dbraw/zinc/48/87/72/402488772.db2.gz MBYYMOPXXMWAOQ-UHFFFAOYSA-N 0 0 319.364 2.005 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccn2ccnc2c1 ZINC000178381985 402491673 /nfs/dbraw/zinc/49/16/73/402491673.db2.gz FSMWMLVPYOOQAS-ZDUSSCGKSA-N 0 0 320.352 2.290 10 30 DEEERN CC(C)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000169099661 402500277 /nfs/dbraw/zinc/50/02/77/402500277.db2.gz BKFQHOLNPZAQFW-GJZGRUSLSA-N 0 0 307.419 2.446 10 30 DEEERN COC(=O)[C@H](NCCCc1ccccn1)c1cccc(C#N)c1 ZINC000178798558 402541177 /nfs/dbraw/zinc/54/11/77/402541177.db2.gz DBKYBUKPSDWMRJ-QGZVFWFLSA-N 0 0 309.369 2.390 10 30 DEEERN N#CCCCCNC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000179028778 402566480 /nfs/dbraw/zinc/56/64/80/402566480.db2.gz GEFYJHSAESNONA-IUODEOHRSA-N 0 0 323.343 2.476 10 30 DEEERN C=CCCOCCNC(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000190051909 402573402 /nfs/dbraw/zinc/57/34/02/402573402.db2.gz KSZLDXFZWZVBDA-UHFFFAOYSA-N 0 0 306.406 2.443 10 30 DEEERN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180036657 402605636 /nfs/dbraw/zinc/60/56/36/402605636.db2.gz KVQWGJJJTSGRKE-CHWSQXEVSA-N 0 0 313.401 2.275 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000180594282 402620837 /nfs/dbraw/zinc/62/08/37/402620837.db2.gz JCVZHHZRUDHSQK-STQMWFEESA-N 0 0 305.426 2.199 10 30 DEEERN Cc1nn(-c2ccccc2)cc1CNC(=O)c1cc(C#N)cn1C ZINC000180884664 402629335 /nfs/dbraw/zinc/62/93/35/402629335.db2.gz KJXULZBRUQAIII-UHFFFAOYSA-N 0 0 319.368 2.321 10 30 DEEERN C=CCC[C@@H](C(=O)N1CCN(CCO)[C@H](C)C1)c1ccccc1 ZINC000249870900 402642916 /nfs/dbraw/zinc/64/29/16/402642916.db2.gz GDWKLBCTIYJVPT-SJLPKXTDSA-N 0 0 316.445 2.261 10 30 DEEERN C[C@@H]1SCCN(C(=O)NCCOc2ccc(C#N)cc2)[C@H]1C ZINC000173792712 402712879 /nfs/dbraw/zinc/71/28/79/402712879.db2.gz YBZWSRSEKGBRHS-STQMWFEESA-N 0 0 319.430 2.472 10 30 DEEERN CN(C)c1ccc(C(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000173886945 402717131 /nfs/dbraw/zinc/71/71/31/402717131.db2.gz ZIDWZFQZDJCQOX-UHFFFAOYSA-N 0 0 309.369 2.433 10 30 DEEERN COc1ccc(S(=O)(=O)NN=Cc2ccccc2F)cc1 ZINC000254509175 402671387 /nfs/dbraw/zinc/67/13/87/402671387.db2.gz QIWGPSOGHBGJTG-UHFFFAOYSA-N 0 0 308.334 2.147 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000182947175 402728849 /nfs/dbraw/zinc/72/88/49/402728849.db2.gz UXRZOFWYZXEGPO-AWEZNQCLSA-N 0 0 319.405 2.139 10 30 DEEERN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCOC[C@@H]1C ZINC000193975999 402780750 /nfs/dbraw/zinc/78/07/50/402780750.db2.gz MEEVKNUPDAYNJZ-WMLDXEAASA-N 0 0 316.401 2.206 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccc(Br)cc1 ZINC000183356257 402759240 /nfs/dbraw/zinc/75/92/40/402759240.db2.gz HXZZDTRVJIQAIJ-LBPRGKRZSA-N 0 0 313.195 2.185 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)CCc2cscn2)cn1 ZINC000183691781 402789477 /nfs/dbraw/zinc/78/94/77/402789477.db2.gz VURTWMYIGCJGNP-UHFFFAOYSA-N 0 0 324.369 2.167 10 30 DEEERN COc1ccc(OCCN(C)C(=O)c2ccnc(C#N)c2)cc1 ZINC000195040706 402828197 /nfs/dbraw/zinc/82/81/97/402828197.db2.gz QCQNZWMBWZEFDL-UHFFFAOYSA-N 0 0 311.341 2.113 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000184252534 402830738 /nfs/dbraw/zinc/83/07/38/402830738.db2.gz KSMGHALNRBGHAU-OLZOCXBDSA-N 0 0 324.446 2.374 10 30 DEEERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1cccc(C#N)c1)CC2 ZINC000195257120 402839428 /nfs/dbraw/zinc/83/94/28/402839428.db2.gz SFUCYVCXWWOCOH-AWEZNQCLSA-N 0 0 309.373 2.018 10 30 DEEERN CC(C)Cn1ccnc1CNC(=O)NCc1ccc(C#N)cc1 ZINC000175151745 402783472 /nfs/dbraw/zinc/78/34/72/402783472.db2.gz RIHSXBFBZZFSFD-UHFFFAOYSA-N 0 0 311.389 2.410 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000183638367 402784437 /nfs/dbraw/zinc/78/44/37/402784437.db2.gz KCAQOLMNHBIRBG-UKRRQHHQSA-N 0 0 314.389 2.170 10 30 DEEERN Cc1ncccc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183649362 402785453 /nfs/dbraw/zinc/78/54/53/402785453.db2.gz KLPBVTKUHFMORO-UHFFFAOYSA-N 0 0 304.313 2.095 10 30 DEEERN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000195506480 402848122 /nfs/dbraw/zinc/84/81/22/402848122.db2.gz MFMXTBMGZVLNQG-CYBMUJFWSA-N 0 0 323.400 2.488 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000278141262 402859118 /nfs/dbraw/zinc/85/91/18/402859118.db2.gz AOSYKAHUDRYZKF-UKRRQHHQSA-N 0 0 304.438 2.416 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(NC(C)=O)cc1 ZINC000278160706 402861002 /nfs/dbraw/zinc/86/10/02/402861002.db2.gz AJTJAFBOEVBCIG-HZPDHXFCSA-N 0 0 302.374 2.242 10 30 DEEERN C#CCOc1cccc(NC(=O)N2CCC([C@@H](C)O)CC2)c1 ZINC000265351437 402912005 /nfs/dbraw/zinc/91/20/05/402912005.db2.gz JRQVQMSRLMSVRQ-CYBMUJFWSA-N 0 0 302.374 2.323 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000265509077 402925648 /nfs/dbraw/zinc/92/56/48/402925648.db2.gz FMZSYEWKIGNEKC-UHFFFAOYSA-N 0 0 302.327 2.321 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cccc(OCC(F)(F)F)c1 ZINC000273609108 403019457 /nfs/dbraw/zinc/01/94/57/403019457.db2.gz VDVUYFCYYZMNBW-LLVKDONJSA-N 0 0 303.280 2.295 10 30 DEEERN C=C(C)CN(CC)C(=O)CN[C@@H](CO)c1ccc(Cl)cc1 ZINC000273162299 402978300 /nfs/dbraw/zinc/97/83/00/402978300.db2.gz ZTZAITFRVIICQA-HNNXBMFYSA-N 0 0 310.825 2.388 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000274293642 403042615 /nfs/dbraw/zinc/04/26/15/403042615.db2.gz CFIQRAURPOVDIQ-GOEBONIOSA-N 0 0 315.417 2.291 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1ccc(NS(C)(=O)=O)cc1 ZINC000274303763 403043281 /nfs/dbraw/zinc/04/32/81/403043281.db2.gz UNUCOAUBPJJMNB-LBPRGKRZSA-N 0 0 310.419 2.277 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCCCCC(=O)OC ZINC000281321790 403064646 /nfs/dbraw/zinc/06/46/46/403064646.db2.gz IWLSEDKRMDLXOH-HIFRSBDPSA-N 0 0 312.410 2.000 10 30 DEEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc2nc(C)cn2c1 ZINC000281478355 403069469 /nfs/dbraw/zinc/06/94/69/403069469.db2.gz OYHUKMCPKZKBNA-GFCCVEGCSA-N 0 0 300.362 2.052 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CC[C@H](CC)C1 ZINC000283144594 403175371 /nfs/dbraw/zinc/17/53/71/403175371.db2.gz DFORUSPNCDQYEY-UONOGXRCSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CC[C@@](F)(C(=O)OC)C1 ZINC000282164906 403128555 /nfs/dbraw/zinc/12/85/55/403128555.db2.gz DEFRDELZGNJJJC-INIZCTEOSA-N 0 0 324.400 2.144 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N(C)Cc1cccs1 ZINC000282350782 403145947 /nfs/dbraw/zinc/14/59/47/403145947.db2.gz SGQJZNQDIUTWTK-CYBMUJFWSA-N 0 0 320.418 2.250 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000277320371 403204980 /nfs/dbraw/zinc/20/49/80/403204980.db2.gz CBNWACWWOIAHMI-UHFFFAOYSA-N 0 0 315.804 2.046 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000277323194 403205478 /nfs/dbraw/zinc/20/54/78/403205478.db2.gz CKCFTHUEKBZSCB-SFHVURJKSA-N 0 0 322.408 2.269 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCc1cn(C)nc1C(F)(F)F)OCC ZINC000270185099 403179456 /nfs/dbraw/zinc/17/94/56/403179456.db2.gz GQQDLPLTAHXTRX-LLVKDONJSA-N 0 0 319.327 2.426 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@H]1c1ccncc1 ZINC000297970363 403296370 /nfs/dbraw/zinc/29/63/70/403296370.db2.gz XOTZROYQLATPBN-HNNXBMFYSA-N 0 0 301.390 2.170 10 30 DEEERN C#CCSCCNC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000293303047 403437572 /nfs/dbraw/zinc/43/75/72/403437572.db2.gz YUBUBLSQGQVLGQ-UHFFFAOYSA-N 0 0 302.399 2.013 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cccc(F)c1Br ZINC000293472528 403481452 /nfs/dbraw/zinc/48/14/52/403481452.db2.gz KVFOBWWLPRRYER-QMMMGPOBSA-N 0 0 302.143 2.255 10 30 DEEERN C=CCC(C)(C)CNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000293762570 403558132 /nfs/dbraw/zinc/55/81/32/403558132.db2.gz LUAZGPLLZHQNFZ-UHFFFAOYSA-N 0 0 301.433 2.484 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](CCO)C(C)C ZINC000288045713 403714857 /nfs/dbraw/zinc/71/48/57/403714857.db2.gz DZGSRJXWLYZFHV-SJORKVTESA-N 0 0 302.418 2.327 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCOC[C@H]2CC(F)F)s1 ZINC000288248806 403742621 /nfs/dbraw/zinc/74/26/21/403742621.db2.gz GMNJWNRQVMYADX-SECBINFHSA-N 0 0 317.361 2.237 10 30 DEEERN C#CCC(CC#C)C(=O)N1CC[C@@](C(=O)OCC)(C(C)C)C1 ZINC000288482826 403755483 /nfs/dbraw/zinc/75/54/83/403755483.db2.gz QCXWUOGQCGYLEF-SFHVURJKSA-N 0 0 303.402 2.087 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000347749959 403842830 /nfs/dbraw/zinc/84/28/30/403842830.db2.gz JAEORWOZCVJMSF-OCCSQVGLSA-N 0 0 308.353 2.276 10 30 DEEERN C=CCCCN(C)C(=O)CCC(=O)Nc1nnc(C2CC2)o1 ZINC000354513903 403850709 /nfs/dbraw/zinc/85/07/09/403850709.db2.gz PWMUCPBDAQZUIB-UHFFFAOYSA-N 0 0 306.366 2.090 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000347778401 403862168 /nfs/dbraw/zinc/86/21/68/403862168.db2.gz CSMZXXDMQWLCHW-XHSDSOJGSA-N 0 0 308.466 2.304 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ncoc1-c1ccc(OC)cc1 ZINC000289241870 403883157 /nfs/dbraw/zinc/88/31/57/403883157.db2.gz AHYQIKWILXSYNI-LBPRGKRZSA-N 0 0 302.330 2.017 10 30 DEEERN CC1(C)OCC[C@H]1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000336891806 403949204 /nfs/dbraw/zinc/94/92/04/403949204.db2.gz JABZQDIWEMCURD-GFCCVEGCSA-N 0 0 314.794 2.057 10 30 DEEERN Cc1ncc(S(=O)(=O)N2CCC[C@H]3CCC[C@@H]32)cc1C#N ZINC000313908789 403991633 /nfs/dbraw/zinc/99/16/33/403991633.db2.gz ACXPIQNROBWSME-DOMZBBRYSA-N 0 0 305.403 2.215 10 30 DEEERN C#CCOc1ccccc1CN1CCO[C@@]2(CCCOC2)C1 ZINC000289672356 403991984 /nfs/dbraw/zinc/99/19/84/403991984.db2.gz ZCSLOMYWJZFSJB-SFHVURJKSA-N 0 0 301.386 2.080 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1nccn1-c1ccccc1 ZINC000348008345 404006732 /nfs/dbraw/zinc/00/67/32/404006732.db2.gz JZKWMCRUDPZNIA-KBPBESRZSA-N 0 0 314.389 2.170 10 30 DEEERN C=CCOC[C@H]1NC(=O)N(c2cccc([C@@H](C)OC)c2)C1=O ZINC000348647614 404085941 /nfs/dbraw/zinc/08/59/41/404085941.db2.gz QMMHQHIXXXJVET-BXUZGUMPSA-N 0 0 304.346 2.021 10 30 DEEERN CO[C@@H](C)CCC(=O)N1CC[C@@H](n2ccc(NC(C)=O)n2)C1 ZINC000328612743 404114141 /nfs/dbraw/zinc/11/41/41/404114141.db2.gz PQBAAGONFWHJCP-WCQYABFASA-N 0 0 308.382 2.080 10 30 DEEERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CC[C@@H]2CC[C@H](C)O2)C1 ZINC000328621363 404117624 /nfs/dbraw/zinc/11/76/24/404117624.db2.gz AJMSMDVKTRWTLC-ABXWRUBCSA-N 0 0 312.410 2.228 10 30 DEEERN C[C@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)CN1CCOCC1 ZINC000328644483 404122025 /nfs/dbraw/zinc/12/20/25/404122025.db2.gz GQDRYONKEWXMMF-KGLIPLIRSA-N 0 0 311.426 2.200 10 30 DEEERN CC1CCC(CNC(=O)N2CCC[C@H]2Cn2ccnn2)CC1 ZINC000329074873 404222250 /nfs/dbraw/zinc/22/22/50/404222250.db2.gz BORDHMPEUZFGFH-NRXISQOPSA-N 0 0 305.426 2.483 10 30 DEEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000328847480 404161205 /nfs/dbraw/zinc/16/12/05/404161205.db2.gz SNHHYJCOOVVYHB-RRFJBIMHSA-N 0 0 306.406 2.159 10 30 DEEERN CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)C[C@@H](C)O1 ZINC000328864970 404165681 /nfs/dbraw/zinc/16/56/81/404165681.db2.gz GHZVQFJLGUHUTO-BPGGGUHBSA-N 0 0 309.410 2.297 10 30 DEEERN C[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1)[C@@H]1CCCO1 ZINC000328927235 404175530 /nfs/dbraw/zinc/17/55/30/404175530.db2.gz FPTPLFBAQFNFMS-FQUUOJAGSA-N 0 0 309.410 2.299 10 30 DEEERN CC(=O)N[C@H](CC(=O)N1CCN(C2CC2)CC1)c1cccs1 ZINC000329042397 404209587 /nfs/dbraw/zinc/20/95/87/404209587.db2.gz OQHLQEJNVHGWEG-CQSZACIVSA-N 0 0 321.446 2.462 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000352271701 404258945 /nfs/dbraw/zinc/25/89/45/404258945.db2.gz RDAXLHFCGDGYFY-LLVKDONJSA-N 0 0 324.178 2.379 10 30 DEEERN CC(C)C[C@H]1CCCCN1C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329488443 404354099 /nfs/dbraw/zinc/35/40/99/404354099.db2.gz GZNDGWKEPFDBAL-QLFBSQMISA-N 0 0 321.425 2.033 10 30 DEEERN C=CCNC(=O)[C@@H](C)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000370006577 404301107 /nfs/dbraw/zinc/30/11/07/404301107.db2.gz CZFNTTZOSMUOQU-IAGOWNOFSA-N 0 0 315.461 2.274 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000342029112 404323180 /nfs/dbraw/zinc/32/31/80/404323180.db2.gz VQSTUJLRHJXDOQ-JTQLQIEISA-N 0 0 306.328 2.210 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000356088947 404388720 /nfs/dbraw/zinc/38/87/20/404388720.db2.gz WEERIHZVVMTSBH-LSDHHAIUSA-N 0 0 307.438 2.385 10 30 DEEERN C=CC[C@H](C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccccc1 ZINC000364493024 404419539 /nfs/dbraw/zinc/41/95/39/404419539.db2.gz XOHWEHWBYQGINN-SIXLDLHFSA-N 0 0 312.413 2.472 10 30 DEEERN CC(C)N(C)c1ccc(CN2CCN(C3CC3)[C@H](C#N)C2)cn1 ZINC000364745475 404526695 /nfs/dbraw/zinc/52/66/95/404526695.db2.gz DREGDMSGBUQJAZ-QGZVFWFLSA-N 0 0 313.449 2.098 10 30 DEEERN O=C(CC[C@@H]1CCCO1)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000329985853 404515862 /nfs/dbraw/zinc/51/58/62/404515862.db2.gz RJUCNXKLLVZEIZ-IHRRRGAJSA-N 0 0 322.384 2.309 10 30 DEEERN C[C@H](CN1CCCC1=O)NC(=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000329736320 404435650 /nfs/dbraw/zinc/43/56/50/404435650.db2.gz SMHHSYPPJWFYCZ-IUODEOHRSA-N 0 0 305.422 2.176 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc2c(C)nn(C)c2c1 ZINC000291584178 404435819 /nfs/dbraw/zinc/43/58/19/404435819.db2.gz XYIHSJGDGNGXPC-UHFFFAOYSA-N 0 0 314.389 2.245 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000342230574 404456797 /nfs/dbraw/zinc/45/67/97/404456797.db2.gz YIEUSFISXYCFRK-LLVKDONJSA-N 0 0 311.328 2.229 10 30 DEEERN C#CCCCC(=O)N1CCC(NC(=O)c2ccccc2F)CC1 ZINC000365246280 404582764 /nfs/dbraw/zinc/58/27/64/404582764.db2.gz PSYSVBSIYKLCOG-UHFFFAOYSA-N 0 0 316.376 2.350 10 30 DEEERN C[C@@H]1CCC[C@@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000373621154 404549996 /nfs/dbraw/zinc/54/99/96/404549996.db2.gz FIJMOJJCLFLBIY-FMKPAKJESA-N 0 0 304.438 2.337 10 30 DEEERN O=C(N[C@@H]1CCCc2c[nH]nc21)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330111716 404554582 /nfs/dbraw/zinc/55/45/82/404554582.db2.gz BHVWEHWYFNKZFT-JJRVBVJISA-N 0 0 318.421 2.328 10 30 DEEERN CC[C@H](C)n1ncc(NC(=O)N2CCN(C3CC3)CC2)c1C ZINC000330129466 404560438 /nfs/dbraw/zinc/56/04/38/404560438.db2.gz OIOISNLPOLKSQF-LBPRGKRZSA-N 0 0 305.426 2.488 10 30 DEEERN C=C[C@](C)(CCOC)c1nc(Cc2nc(C3CC3)nn2C)no1 ZINC000351371786 404564215 /nfs/dbraw/zinc/56/42/15/404564215.db2.gz RLYJLADOFTYXNL-MRXNPFEDSA-N 0 0 317.393 2.147 10 30 DEEERN Cc1noc(C)c1C[C@H](C)NC(=O)N1CCO[C@@H](C2CC2)C1 ZINC000330144310 404564759 /nfs/dbraw/zinc/56/47/59/404564759.db2.gz RPGNHCBGQSRKKH-ZUZCIYMTSA-N 0 0 307.394 2.247 10 30 DEEERN COc1ccc(C#N)cc1NC(=O)N1CCO[C@@H](C2CC2)C1 ZINC000330157865 404568323 /nfs/dbraw/zinc/56/83/23/404568323.db2.gz ZMKAKEFRYFEQCW-OAHLLOKOSA-N 0 0 301.346 2.223 10 30 DEEERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cn2c(n1)CCCC2 ZINC000330332269 404629036 /nfs/dbraw/zinc/62/90/36/404629036.db2.gz OURANHCWWXQPGQ-CZUORRHYSA-N 0 0 320.437 2.284 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000297821594 404634396 /nfs/dbraw/zinc/63/43/96/404634396.db2.gz KKRSPNZMSNQKDC-ZDUSSCGKSA-N 0 0 322.430 2.073 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000345245077 404635980 /nfs/dbraw/zinc/63/59/80/404635980.db2.gz DRCCZQYQVYGFAN-UHFFFAOYSA-N 0 0 300.318 2.157 10 30 DEEERN Cc1c(Cl)cccc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000365493998 404676261 /nfs/dbraw/zinc/67/62/61/404676261.db2.gz VSYJINFOVBCLAB-CYBMUJFWSA-N 0 0 303.793 2.461 10 30 DEEERN C=CCn1c(N2C[C@@H]3C[C@H]2CS3)nnc1[C@@]1(C)CCCO1 ZINC000414527209 404667671 /nfs/dbraw/zinc/66/76/71/404667671.db2.gz LWUCDFLUVPLGAV-SLEUVZQESA-N 0 0 306.435 2.184 10 30 DEEERN C=CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](CF)C1 ZINC000414531463 404668886 /nfs/dbraw/zinc/66/88/86/404668886.db2.gz TWZSBVKCNIKFBY-CYBMUJFWSA-N 0 0 322.409 2.291 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)C(=O)NCc1cscn1 ZINC000357878468 404746246 /nfs/dbraw/zinc/74/62/46/404746246.db2.gz ZMGFWTWSMANHFF-UHFFFAOYSA-N 0 0 321.446 2.354 10 30 DEEERN C=C(CNC(=O)N1CC(OCCCOC)C1)c1ccccc1 ZINC000358591283 404768022 /nfs/dbraw/zinc/76/80/22/404768022.db2.gz OPOIWICKHZQZGO-UHFFFAOYSA-N 0 0 304.390 2.147 10 30 DEEERN C=CCOCCNC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000366724555 404837259 /nfs/dbraw/zinc/83/72/59/404837259.db2.gz SISHGGBRRRYFFI-QGZVFWFLSA-N 0 0 320.408 2.499 10 30 DEEERN C=CCCN(C)C(=O)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000359649152 404800489 /nfs/dbraw/zinc/80/04/89/404800489.db2.gz VDERYCWQGDCWML-UHFFFAOYSA-N 0 0 323.396 2.399 10 30 DEEERN N#C[C@H]1CN(Cc2ccn(-c3ccccc3)n2)CCN1C1CC1 ZINC000360094012 404818429 /nfs/dbraw/zinc/81/84/29/404818429.db2.gz WSBDTGFJJRFDGK-SFHVURJKSA-N 0 0 307.401 2.044 10 30 DEEERN CC1(C#N)CCN(C(=O)NCCc2cn3c(n2)CCCC3)CC1 ZINC000360644332 404833192 /nfs/dbraw/zinc/83/31/92/404833192.db2.gz WIPMDSFYGPXVOW-UHFFFAOYSA-N 0 0 315.421 2.097 10 30 DEEERN C=CCOCCNC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1 ZINC000360638547 404833227 /nfs/dbraw/zinc/83/32/27/404833227.db2.gz OGRWQEDXYNDIBQ-KRWDZBQOSA-N 0 0 317.433 2.499 10 30 DEEERN C=C(C)CN(C)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000366994372 404892888 /nfs/dbraw/zinc/89/28/88/404892888.db2.gz BTCXTZQAGXEGGU-GOEBONIOSA-N 0 0 315.417 2.394 10 30 DEEERN CCN(C[C@H](C)OC)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000361045667 404893188 /nfs/dbraw/zinc/89/31/88/404893188.db2.gz SIGAECJCHFYZTD-BLLLJJGKSA-N 0 0 312.410 2.131 10 30 DEEERN C#CCSCCNC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000366836717 404855683 /nfs/dbraw/zinc/85/56/83/404855683.db2.gz QPKBPOHSGAVPQZ-CQSZACIVSA-N 0 0 306.435 2.023 10 30 DEEERN C=CCOc1ccc(Oc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000361181768 404961864 /nfs/dbraw/zinc/96/18/64/404961864.db2.gz QXYVKQYOTVMIMS-UHFFFAOYSA-N 0 0 315.285 2.446 10 30 DEEERN CO[C@@H](C)[C@H](C)NC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000367241196 404978364 /nfs/dbraw/zinc/97/83/64/404978364.db2.gz YWHSXAQNDKXNRT-KBPBESRZSA-N 0 0 316.405 2.072 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc2cc(C)ccc2c1 ZINC000451397741 404979498 /nfs/dbraw/zinc/97/94/98/404979498.db2.gz RZZDOXRKARWTDE-HNNXBMFYSA-N 0 0 305.399 2.364 10 30 DEEERN C=CCCn1cc(C(=O)N[C@@H]2CCc3c2cccc3F)nn1 ZINC000424598175 405127106 /nfs/dbraw/zinc/12/71/06/405127106.db2.gz LBQCLBOPMGVVDQ-CQSZACIVSA-N 0 0 300.337 2.411 10 30 DEEERN C[C@@H]1CCOCCN1C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000367664381 405117377 /nfs/dbraw/zinc/11/73/77/405117377.db2.gz SRDMPNKSKKUQRM-CYBMUJFWSA-N 0 0 302.374 2.353 10 30 DEEERN CCO[C@H]1C[C@H](NC(=O)C2(C#N)CCCC2)C12CCOCC2 ZINC000187118934 286523591 /nfs/dbraw/zinc/52/35/91/286523591.db2.gz SVNGBWXFBNDADP-KBPBESRZSA-N 0 0 306.406 2.161 10 30 DEEERN C=CCC1(C(=O)N(C)Cc2nc([C@@H](C)OC)no2)CCOCC1 ZINC000424705008 405154703 /nfs/dbraw/zinc/15/47/03/405154703.db2.gz NCWPNFGHXWKOKI-GFCCVEGCSA-N 0 0 323.393 2.108 10 30 DEEERN C=CCC1(C(=O)N[C@@H](C)[C@@H](O)Cc2ccccc2)CCOCC1 ZINC000424733031 405162224 /nfs/dbraw/zinc/16/22/24/405162224.db2.gz HXMCQAJLPCGTGM-RDJZCZTQSA-N 0 0 317.429 2.468 10 30 DEEERN C=CCC1(C(=O)N2C[C@@H](CC)[S@@](=O)[C@@H](C)C2)CCOCC1 ZINC000424830934 405190379 /nfs/dbraw/zinc/19/03/79/405190379.db2.gz HZNNXBZKADBPLA-QTCYRWPVSA-N 0 0 313.463 2.117 10 30 DEEERN C=CCC1(C(=O)N(C)C[C@H](O)Cc2ccccc2)CCOCC1 ZINC000424856156 405198044 /nfs/dbraw/zinc/19/80/44/405198044.db2.gz ZHJIAZIRMREBMX-QGZVFWFLSA-N 0 0 317.429 2.421 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(CNC(C)=O)s1 ZINC000437514665 405202857 /nfs/dbraw/zinc/20/28/57/405202857.db2.gz CVGIPASDQKNJAU-WFASDCNBSA-N 0 0 322.430 2.095 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(OC)c(OC)cc1OC ZINC000424920022 405212642 /nfs/dbraw/zinc/21/26/42/405212642.db2.gz YIYQIDKKNLWRDO-AAEUAGOBSA-N 0 0 321.373 2.033 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CSc1cccc(OC)c1 ZINC000424933532 405215243 /nfs/dbraw/zinc/21/52/43/405215243.db2.gz QRYLWMHZZNBEQM-WFASDCNBSA-N 0 0 307.415 2.495 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(SC)c1 ZINC000425788899 405319675 /nfs/dbraw/zinc/31/96/75/405319675.db2.gz VRYWHBVARHIKGE-FZMZJTMJSA-N 0 0 320.414 2.054 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)c(CC)c1 ZINC000425795517 405320241 /nfs/dbraw/zinc/32/02/41/405320241.db2.gz JFHMCZQJGJJENL-HOCLYGCPSA-N 0 0 316.401 2.203 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]1CCCC ZINC000425881521 405326208 /nfs/dbraw/zinc/32/62/08/405326208.db2.gz KTZQJQKIUQAVLW-JONQDZQNSA-N 0 0 322.449 2.169 10 30 DEEERN CCOC(C)(C)CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000440934249 405331847 /nfs/dbraw/zinc/33/18/47/405331847.db2.gz SCMNIRIOZLLAQS-MRXNPFEDSA-N 0 0 312.410 2.179 10 30 DEEERN C=CCC[C@H](CO)NC(=O)C(=O)Nc1csc2ccccc12 ZINC000454059959 405295323 /nfs/dbraw/zinc/29/53/23/405295323.db2.gz RKGJTADLNIJAPB-LLVKDONJSA-N 0 0 318.398 2.283 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCc1cccc(C)n1 ZINC000425540687 405299631 /nfs/dbraw/zinc/29/96/31/405299631.db2.gz FILYQGNVBDLZLX-HOCLYGCPSA-N 0 0 303.406 2.213 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1cc(Cl)cn1C ZINC000425562484 405303676 /nfs/dbraw/zinc/30/36/76/405303676.db2.gz GLKGGASJDOBSGE-FZMZJTMJSA-N 0 0 311.813 2.411 10 30 DEEERN CC#CCN(C)C(=O)Nc1cccc(N(C)C(=O)NCC)c1 ZINC000455366906 405401993 /nfs/dbraw/zinc/40/19/93/405401993.db2.gz YHAVWAKSPLCPAY-UHFFFAOYSA-N 0 0 302.378 2.339 10 30 DEEERN C=CCCCN(C)S(=O)(=O)C[C@@H](Cc1ccccc1)OC ZINC000420678127 405371446 /nfs/dbraw/zinc/37/14/46/405371446.db2.gz NTDQHNLLYITRKV-MRXNPFEDSA-N 0 0 311.447 2.472 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NC1CCN(c2ccccc2)CC1 ZINC000448773339 405447065 /nfs/dbraw/zinc/44/70/65/405447065.db2.gz HPXZMWDUVOHXTP-UHFFFAOYSA-N 0 0 308.385 2.296 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NCCCOc1ccc(F)cc1 ZINC000448820601 405452250 /nfs/dbraw/zinc/45/22/50/405452250.db2.gz CERSMDCNFZWYEX-UHFFFAOYSA-N 0 0 301.321 2.235 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(Br)cnc1C ZINC000455818962 405453798 /nfs/dbraw/zinc/45/37/98/405453798.db2.gz IBPPLYAYJQCCGP-SNVBAGLBSA-N 0 0 314.183 2.211 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NCc1cccc(OCC(F)F)c1 ZINC000448868549 405457727 /nfs/dbraw/zinc/45/77/27/405457727.db2.gz KOBQQFOVOHNXMR-UHFFFAOYSA-N 0 0 319.311 2.471 10 30 DEEERN N#CCc1cccc(NC(=O)N2CCSC[C@@H]2CCO)c1 ZINC000455909266 405460682 /nfs/dbraw/zinc/46/06/82/405460682.db2.gz ARIZLOSFVAXEFO-AWEZNQCLSA-N 0 0 305.403 2.084 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@@H](NC(C)=O)C1 ZINC000421286771 405461830 /nfs/dbraw/zinc/46/18/30/405461830.db2.gz FDTSAYLOXLBDSI-OAHLLOKOSA-N 0 0 319.453 2.158 10 30 DEEERN CCC(=O)N[C@@H]1CCCN(C(=O)Nc2cc(C)cc(C#N)c2)C1 ZINC000455977568 405465617 /nfs/dbraw/zinc/46/56/17/405465617.db2.gz BVKZPEQYYNABFM-CQSZACIVSA-N 0 0 314.389 2.389 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCc1ccnc(N(C)C)n1 ZINC000633152826 405468635 /nfs/dbraw/zinc/46/86/35/405468635.db2.gz GDFCCQZRJXKQRU-UHFFFAOYSA-N 0 0 305.426 2.334 10 30 DEEERN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000457828730 405474919 /nfs/dbraw/zinc/47/49/19/405474919.db2.gz JXCKGTVXGBVDNN-NRKLIOEPSA-N 0 0 307.434 2.367 10 30 DEEERN C=CCCCNC(=O)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000458726154 405560523 /nfs/dbraw/zinc/56/05/23/405560523.db2.gz NGZXLOOONZZYIF-NVXWUHKLSA-N 0 0 306.381 2.462 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000456152676 405519042 /nfs/dbraw/zinc/51/90/42/405519042.db2.gz YCZYVYACFUBGKP-YPMHNXCESA-N 0 0 306.318 2.067 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1cccc2c1CCOC2 ZINC000633283242 405548109 /nfs/dbraw/zinc/54/81/09/405548109.db2.gz MJCWVYUAXYFKDW-SJORKVTESA-N 0 0 316.401 2.292 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1coc(-c2ccnc(C)c2)n1 ZINC000456758871 405553677 /nfs/dbraw/zinc/55/36/77/405553677.db2.gz DEGFKKUDOOTGOH-ZDUSSCGKSA-N 0 0 301.346 2.102 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000557593749 405610737 /nfs/dbraw/zinc/61/07/37/405610737.db2.gz AVFFFQUCGXVSKB-FRFSOERESA-N 0 0 314.385 2.210 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000633411143 405628447 /nfs/dbraw/zinc/62/84/47/405628447.db2.gz YOOVSOGBVHMNOI-KGLIPLIRSA-N 0 0 307.438 2.289 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000633411583 405629454 /nfs/dbraw/zinc/62/94/54/405629454.db2.gz WRTUYOILOYKTEV-JKSUJKDBSA-N 0 0 323.481 2.483 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000633317678 405568504 /nfs/dbraw/zinc/56/85/04/405568504.db2.gz JYCRPKLMWLJTKD-CAOSSQGBSA-N 0 0 308.422 2.224 10 30 DEEERN C=CCSc1ccccc1C(=O)N1CC[C@H](C(=O)NC)C1 ZINC000421652512 405575090 /nfs/dbraw/zinc/57/50/90/405575090.db2.gz SBHYAVYSLOAPQG-LBPRGKRZSA-N 0 0 304.415 2.173 10 30 DEEERN C=C(C)CN(CC)C(=O)N[C@H](CC(=O)NC)c1ccccc1 ZINC000431103206 405577915 /nfs/dbraw/zinc/57/79/15/405577915.db2.gz PDCCKFKNMUJXIZ-OAHLLOKOSA-N 0 0 303.406 2.471 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457119993 405711035 /nfs/dbraw/zinc/71/10/35/405711035.db2.gz JXXNRYFWGAZNHE-CYBMUJFWSA-N 0 0 318.377 2.241 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000450095115 405737013 /nfs/dbraw/zinc/73/70/13/405737013.db2.gz ZWUSDVALSUXQDP-JMSVASOKSA-N 0 0 322.355 2.251 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000636111029 405747482 /nfs/dbraw/zinc/74/74/82/405747482.db2.gz IXGKZJOIZWNUDE-ZETCQYMHSA-N 0 0 319.163 2.219 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CCSc2ncnc3[nH]cnc32)C1 ZINC000636251791 405840214 /nfs/dbraw/zinc/84/02/14/405840214.db2.gz MZHIXGFKAQJXTO-LLVKDONJSA-N 0 0 317.418 2.260 10 30 DEEERN Cn1cc([C@H](NC(=O)NCC(C)(C)CC#N)C(F)(F)F)cn1 ZINC000459544567 405948679 /nfs/dbraw/zinc/94/86/79/405948679.db2.gz RCCYEOJVDRELFN-JTQLQIEISA-N 0 0 317.315 2.263 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC000636348126 405904514 /nfs/dbraw/zinc/90/45/14/405904514.db2.gz DTSVCZQQUPMIFQ-CABCVRRESA-N 0 0 310.344 2.423 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCC1(NC(=O)[C@@H](C)CC(=C)C)COC1 ZINC000633918065 405907407 /nfs/dbraw/zinc/90/74/07/405907407.db2.gz ZWFAOFCSNNKSPO-CABCVRRESA-N 0 0 322.449 2.192 10 30 DEEERN N#CC1(COc2ccc(S(=O)(=O)NC3CC3)cc2)CCC1 ZINC000606302716 405909808 /nfs/dbraw/zinc/90/98/08/405909808.db2.gz JGZZSOBDZPIDAC-UHFFFAOYSA-N 0 0 306.387 2.200 10 30 DEEERN C[C@@H](CNc1cccc(C#N)c1[N+](=O)[O-])N1CCCCC1=O ZINC000450476209 405918840 /nfs/dbraw/zinc/91/88/40/405918840.db2.gz OAJXKAKJQSYNMB-NSHDSACASA-N 0 0 302.334 2.279 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000636515209 405996088 /nfs/dbraw/zinc/99/60/88/405996088.db2.gz UXYVULFTFSYAMX-XHSDSOJGSA-N 0 0 323.481 2.482 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@H]2CCc3nc(C)ncc3C2)C1 ZINC000636529217 406000939 /nfs/dbraw/zinc/00/09/39/406000939.db2.gz TZZUJDHETWRUMY-ZFWWWQNUSA-N 0 0 300.406 2.250 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C)CCc1cccn1C ZINC000636790899 406082280 /nfs/dbraw/zinc/08/22/80/406082280.db2.gz MSORJLYDGXCZBW-CQSZACIVSA-N 0 0 319.449 2.181 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1CCO[C@H](CC(C)C)C1 ZINC000636817396 406090604 /nfs/dbraw/zinc/09/06/04/406090604.db2.gz UNHSLZANPAQIBF-HUUCEWRRSA-N 0 0 324.465 2.415 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1nc(C2CC2)cs1 ZINC000636824747 406092135 /nfs/dbraw/zinc/09/21/35/406092135.db2.gz ULWGGEHZCLJJTI-UHFFFAOYSA-N 0 0 321.446 2.355 10 30 DEEERN C=CCN(Cc1cccs1)c1nnc([C@@H]2COCCO2)n1C ZINC000514831182 406054656 /nfs/dbraw/zinc/05/46/56/406054656.db2.gz KEEMXOYTWMZJKZ-ZDUSSCGKSA-N 0 0 320.418 2.157 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000562914747 406056677 /nfs/dbraw/zinc/05/66/77/406056677.db2.gz VOGMXQBRBDFMQK-VGMNWLOBSA-N 0 0 321.324 2.389 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCC(C)(C)c1ccncc1 ZINC000636698392 406056941 /nfs/dbraw/zinc/05/69/41/406056941.db2.gz WPJZAZKHYFJCAP-UHFFFAOYSA-N 0 0 317.433 2.194 10 30 DEEERN C=CCSCCNC(=O)N[C@H](c1ccccc1F)[C@H](C)O ZINC000563229379 406059469 /nfs/dbraw/zinc/05/94/69/406059469.db2.gz DMWVCEFJHFBWLF-FZMZJTMJSA-N 0 0 312.410 2.466 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1ccc(C)c(OC)c1 ZINC000563425304 406060012 /nfs/dbraw/zinc/06/00/12/406060012.db2.gz AGLCVMYUUYUISZ-UHFFFAOYSA-N 0 0 318.417 2.482 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc(Cl)cn1 ZINC000636726860 406064108 /nfs/dbraw/zinc/06/41/08/406064108.db2.gz IHMUILMYAWNLTL-UHFFFAOYSA-N 0 0 309.797 2.070 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)N1Cc2cccc(OC)c2C1 ZINC000636726723 406064168 /nfs/dbraw/zinc/06/41/68/406064168.db2.gz QDDPPCDIFIVGAP-CYBMUJFWSA-N 0 0 316.401 2.398 10 30 DEEERN C=C1CC(C)(C(=O)Nc2cccc(CN3CCOCC3)n2)C1 ZINC000632243828 406064481 /nfs/dbraw/zinc/06/44/81/406064481.db2.gz ZGMIPPMUNDTQEV-UHFFFAOYSA-N 0 0 301.390 2.209 10 30 DEEERN CC(C)(C)OC(=O)C[C@@H]1CCCN(c2nccnc2C#N)C1 ZINC000532365206 406071579 /nfs/dbraw/zinc/07/15/79/406071579.db2.gz LFCVUINICLZNNI-LBPRGKRZSA-N 0 0 302.378 2.296 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N1CC2(C1)CCCO2 ZINC000636765564 406075964 /nfs/dbraw/zinc/07/59/64/406075964.db2.gz CXWAMNBSIZYOQE-UHFFFAOYSA-N 0 0 302.374 2.326 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C)c1cnccc1C ZINC000636767938 406076854 /nfs/dbraw/zinc/07/68/54/406076854.db2.gz KVKLWZWSYIMFLC-ZDUSSCGKSA-N 0 0 303.406 2.286 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)CC(C)(C)OC ZINC000636773595 406077230 /nfs/dbraw/zinc/07/72/30/406077230.db2.gz WSDGXCYIGDOFRO-CYBMUJFWSA-N 0 0 312.454 2.415 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000637042801 406159749 /nfs/dbraw/zinc/15/97/49/406159749.db2.gz RCBZJPUDUYMEOJ-GJZGRUSLSA-N 0 0 322.449 2.169 10 30 DEEERN C=C(C)CN(C)C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000479316619 406162485 /nfs/dbraw/zinc/16/24/85/406162485.db2.gz QOSYRWCBXUHIPR-NSHDSACASA-N 0 0 308.328 2.352 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000636881290 406111628 /nfs/dbraw/zinc/11/16/28/406111628.db2.gz AEKMVUWHIIPAPF-ZNMIVQPWSA-N 0 0 322.449 2.169 10 30 DEEERN C=C(C)Cn1c(COCCOC)nnc1N1CC2CC1(C)C2 ZINC000634384517 406120947 /nfs/dbraw/zinc/12/09/47/406120947.db2.gz BBQWMRRUTNIDAR-UHFFFAOYSA-N 0 0 306.410 2.006 10 30 DEEERN C=C(C)Cn1c(COCCOC)nnc1N1CCCC1(C)C ZINC000634384668 406121057 /nfs/dbraw/zinc/12/10/57/406121057.db2.gz FVCOBFGOZGICTG-UHFFFAOYSA-N 0 0 308.426 2.396 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnc2c(C)cccc2c1O ZINC000567723047 406126569 /nfs/dbraw/zinc/12/65/69/406126569.db2.gz AZPFFRVNMDUSCZ-WFASDCNBSA-N 0 0 312.369 2.157 10 30 DEEERN COc1cc(CN(C)C(=O)Cc2cccc(C#N)c2)ccc1O ZINC000533183454 406127389 /nfs/dbraw/zinc/12/73/89/406127389.db2.gz QACAKDUWACFGNF-UHFFFAOYSA-N 0 0 310.353 2.474 10 30 DEEERN N#Cc1ccc(C[C@H](C#N)C(=O)NCCc2ccccc2O)cc1 ZINC000472334287 406138382 /nfs/dbraw/zinc/13/83/82/406138382.db2.gz ALOMUHCCDUMLJA-QGZVFWFLSA-N 0 0 319.364 2.305 10 30 DEEERN C=CCCOCCNC(=O)N1CC[C@H](c2ccc(O)cc2)C1 ZINC000636983118 406141508 /nfs/dbraw/zinc/14/15/08/406141508.db2.gz DJJHYIWJTPWPKU-HNNXBMFYSA-N 0 0 304.390 2.484 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCC1([C@H]2CCCCO2)CCC1 ZINC000632547858 406178370 /nfs/dbraw/zinc/17/83/70/406178370.db2.gz XOLZNODAUPBGKF-OAHLLOKOSA-N 0 0 322.449 2.267 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C1(C(=O)OC(C)(C)C)CC1 ZINC000568048186 406184574 /nfs/dbraw/zinc/18/45/74/406184574.db2.gz FKQNHDQVLNBJES-QWHCGFSZSA-N 0 0 309.406 2.206 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000487052022 406201583 /nfs/dbraw/zinc/20/15/83/406201583.db2.gz XCTAKMZLLHRIOH-LSDHHAIUSA-N 0 0 307.438 2.193 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[C@@](C)(OC)C1 ZINC000632619984 406203960 /nfs/dbraw/zinc/20/39/60/406203960.db2.gz XBIOEBQVZAGBRQ-QGZVFWFLSA-N 0 0 310.438 2.123 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1COc2cccc(C)c2C1 ZINC000637194475 406207550 /nfs/dbraw/zinc/20/75/50/406207550.db2.gz JDQDUTRZQDIENU-IMJJTQAJSA-N 0 0 316.401 2.331 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1COc1cccnc1C ZINC000519632572 406225524 /nfs/dbraw/zinc/22/55/24/406225524.db2.gz QFXLWMCFFHHBPV-OAGGEKHMSA-N 0 0 316.401 2.351 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@H](c1nccn1C)C(C)(C)CO ZINC000637323351 406258818 /nfs/dbraw/zinc/25/88/18/406258818.db2.gz GUWONZXTMDBVTJ-CYBMUJFWSA-N 0 0 322.453 2.381 10 30 DEEERN N#Cc1ccc(C(=O)NCCCc2nnc3ccccn32)s1 ZINC000487725717 406259269 /nfs/dbraw/zinc/25/92/69/406259269.db2.gz CPSQEBDQKVZZLP-UHFFFAOYSA-N 0 0 311.370 2.025 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1[nH]ncc1C(F)(F)F ZINC000632841051 406285582 /nfs/dbraw/zinc/28/55/82/406285582.db2.gz ROXTWNMVPXADFD-GZMMTYOYSA-N 0 0 303.284 2.140 10 30 DEEERN C=C(C)CNC(=O)N1CCc2cc(OC)c(OC)cc2CC1 ZINC000488591382 406333802 /nfs/dbraw/zinc/33/38/02/406333802.db2.gz QDYUZYBNJHMCAG-UHFFFAOYSA-N 0 0 304.390 2.390 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000488841938 406354415 /nfs/dbraw/zinc/35/44/15/406354415.db2.gz JPNYQQJFHQTJKZ-CYBMUJFWSA-N 0 0 311.385 2.043 10 30 DEEERN C=CCn1c(Cc2ccsc2)nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC000635029821 406406979 /nfs/dbraw/zinc/40/69/79/406406979.db2.gz PSYFXEMVVHUCQB-OKILXGFUSA-N 0 0 316.430 2.199 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC000637792174 406422613 /nfs/dbraw/zinc/42/26/13/406422613.db2.gz HGJXQJFLQJFDOS-ZDUSSCGKSA-N 0 0 317.389 2.095 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCc1cnc(N(C)C)n1C ZINC000633091743 406379242 /nfs/dbraw/zinc/37/92/42/406379242.db2.gz KWASYQBXMJPQEG-UHFFFAOYSA-N 0 0 307.442 2.278 10 30 DEEERN Cc1cc(C)n(-c2ccc(CNc3ccncc3C#N)cn2)n1 ZINC000548154094 406486539 /nfs/dbraw/zinc/48/65/39/406486539.db2.gz ZGIACBOQABKNLG-UHFFFAOYSA-N 0 0 304.357 2.185 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccnn1CC1CCC1 ZINC000635207554 406460277 /nfs/dbraw/zinc/46/02/77/406460277.db2.gz QAYXKGDVLRRTBN-UHFFFAOYSA-N 0 0 318.421 2.484 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C)nc(C)n1 ZINC000635207665 406460589 /nfs/dbraw/zinc/46/05/89/406460589.db2.gz MRDUFHASZVNPKC-KBPBESRZSA-N 0 0 316.405 2.283 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1C[C@H](C)C[C@@H]1CC ZINC000571007767 406466105 /nfs/dbraw/zinc/46/61/05/406466105.db2.gz YTNLUGGZBYWFFP-RDBSUJKOSA-N 0 0 306.410 2.177 10 30 DEEERN C=C1CCN(C(=O)[C@H]2CCN2Cc2ccc(OC)cc2)CC1 ZINC000635502335 406567257 /nfs/dbraw/zinc/56/72/57/406567257.db2.gz DOFOINYMWFNPTH-QGZVFWFLSA-N 0 0 300.402 2.448 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2cccc(N3CCC3=O)c2)c1 ZINC000548402044 406511351 /nfs/dbraw/zinc/51/13/51/406511351.db2.gz COAJNWMFFQDRKO-UHFFFAOYSA-N 0 0 305.337 2.476 10 30 DEEERN C=CCN(C)C(=O)c1cccc(-c2nnc(CCOC)o2)c1 ZINC000491065381 406524102 /nfs/dbraw/zinc/52/41/02/406524102.db2.gz GKZVMIPQCFURJC-UHFFFAOYSA-N 0 0 301.346 2.184 10 30 DEEERN CC(C)N(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000527353693 406623180 /nfs/dbraw/zinc/62/31/80/406623180.db2.gz FOVSUYGVSIXACN-UHFFFAOYSA-N 0 0 315.373 2.101 10 30 DEEERN CC(=O)c1ccc2c(c1)CCN(C(=O)NCC1(C#N)CC1)CC2 ZINC000572341717 406647811 /nfs/dbraw/zinc/64/78/11/406647811.db2.gz CCNUQDKQSWMADS-UHFFFAOYSA-N 0 0 311.385 2.303 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000573201928 406771004 /nfs/dbraw/zinc/77/10/04/406771004.db2.gz HXTCXQAHVXGHKU-KGLIPLIRSA-N 0 0 303.410 2.417 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000573713707 406777033 /nfs/dbraw/zinc/77/70/33/406777033.db2.gz BHHODIUMEZJDRZ-YHUYYLMFSA-N 0 0 320.433 2.321 10 30 DEEERN CCOC(=O)Cc1cc(C#N)c(Br)c([N+](=O)[O-])c1 ZINC000575383632 406807954 /nfs/dbraw/zinc/80/79/54/406807954.db2.gz VNFPMLPCSMYAPB-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN CCOC(=O)Cc1cc(C#N)c([N+](=O)[O-])cc1OC(F)F ZINC000575387595 406808043 /nfs/dbraw/zinc/80/80/43/406808043.db2.gz HZGBUZIGPBWODM-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1ccc(F)cc1F ZINC000575815724 406826658 /nfs/dbraw/zinc/82/66/58/406826658.db2.gz JKZZXPRKPBVOIV-UHFFFAOYSA-N 0 0 310.344 2.444 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000575881512 406827349 /nfs/dbraw/zinc/82/73/49/406827349.db2.gz UDKISKJHOIFTSB-MRXNPFEDSA-N 0 0 322.449 2.267 10 30 DEEERN C=CCCCNC(=O)C(=O)NCCc1ccc(OC(C)C)cc1 ZINC000556005795 406859535 /nfs/dbraw/zinc/85/95/35/406859535.db2.gz ACIGQZAQGQYWJQ-UHFFFAOYSA-N 0 0 318.417 2.215 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCC[C@H](C)C1 ZINC000129297548 196036239 /nfs/dbraw/zinc/03/62/39/196036239.db2.gz RWCIQUYWDAEDNV-ZDUSSCGKSA-N 0 0 323.400 2.384 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000130563136 196091668 /nfs/dbraw/zinc/09/16/68/196091668.db2.gz VWDFUXSNYKGJOP-UHFFFAOYSA-N 0 0 318.373 2.226 10 30 DEEERN Cc1cc(C#CCCO)cc(C(=O)N2CCSC[C@@H]2C)c1 ZINC000131660774 196188783 /nfs/dbraw/zinc/18/87/83/196188783.db2.gz VFWSDYKQHXXDAH-AWEZNQCLSA-N 0 0 303.427 2.306 10 30 DEEERN C=C(C)CN(CC)S(=O)(=O)c1ccc(C)cc1C(=O)OC ZINC000133888740 196344003 /nfs/dbraw/zinc/34/40/03/196344003.db2.gz WDHQNYPTWIMKDQ-UHFFFAOYSA-N 0 0 311.403 2.368 10 30 DEEERN C#CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1 ZINC000135985352 196513512 /nfs/dbraw/zinc/51/35/12/196513512.db2.gz GPTQDXJBJNHBGD-SFHVURJKSA-N 0 0 318.376 2.003 10 30 DEEERN N#CCSCC(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000174847609 224790423 /nfs/dbraw/zinc/79/04/23/224790423.db2.gz IOSDCPIECXNPCC-LSDHHAIUSA-N 0 0 304.415 2.358 10 30 DEEERN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)CC1(C#N)CC1)[C@@H](C)C2 ZINC000166377123 224740735 /nfs/dbraw/zinc/74/07/35/224740735.db2.gz OPYGYBVWXHSNAA-WFASDCNBSA-N 0 0 304.415 2.452 10 30 DEEERN C[C@H](NC(=O)C(C)(C)C#N)C1CCN(CC(F)(F)F)CC1 ZINC000189669938 225059442 /nfs/dbraw/zinc/05/94/42/225059442.db2.gz SIIOSEWGHCDMSC-JTQLQIEISA-N 0 0 305.344 2.315 10 30 DEEERN COc1ccc2c(c1)CCN2C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000192878776 225146095 /nfs/dbraw/zinc/14/60/95/225146095.db2.gz DUVAUEKTJTWADA-UHFFFAOYSA-N 0 0 321.336 2.095 10 30 DEEERN CCc1noc(C)c1NC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000192959148 225147262 /nfs/dbraw/zinc/14/72/62/225147262.db2.gz OWDXNBDENSZXSB-UHFFFAOYSA-N 0 0 312.329 2.303 10 30 DEEERN O=C(NCC(F)(F)C(F)F)c1cnn(CCC(F)(F)F)c1 ZINC000192025007 225124384 /nfs/dbraw/zinc/12/43/84/225124384.db2.gz WQHFYKMOYVCJHO-UHFFFAOYSA-N 0 0 321.196 2.466 10 30 DEEERN N#CCOc1ccccc1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245882015 225223128 /nfs/dbraw/zinc/22/31/28/225223128.db2.gz KKUACFYENWKWBS-NUEKZKHPSA-N 0 0 312.369 2.276 10 30 DEEERN CN(C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)[C@@H]1CCNC1=O ZINC000329800715 225931872 /nfs/dbraw/zinc/93/18/72/225931872.db2.gz IQFXCMKITDPWCA-KFWWJZLASA-N 0 0 317.389 2.481 10 30 DEEERN Cc1nc([C@H]2CCCN2C(=O)NCCC2CCOCC2)no1 ZINC000329407381 225876144 /nfs/dbraw/zinc/87/61/44/225876144.db2.gz XKTCDUOLINOLRX-CYBMUJFWSA-N 0 0 308.382 2.246 10 30 DEEERN Cn1cc([C@@H]2CCN(C(=O)Nc3cn(C)nc3C3CC3)C2)cn1 ZINC000329602407 225901915 /nfs/dbraw/zinc/90/19/15/225901915.db2.gz FUHPTWSMQQRYHR-GFCCVEGCSA-N 0 0 314.393 2.066 10 30 DEEERN COc1ccc(F)c(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 ZINC000363426793 226916975 /nfs/dbraw/zinc/91/69/75/226916975.db2.gz PYSPTIOURABUCM-GFCCVEGCSA-N 0 0 318.352 2.038 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2ccc3c(c2)CCCC3)CCN1C1CC1 ZINC000371002182 227061385 /nfs/dbraw/zinc/06/13/85/227061385.db2.gz YEBPTJMOWALDGA-GOSISDBHSA-N 0 0 309.413 2.378 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cc(F)cc3cccnc32)CCN1C1CC1 ZINC000371335045 227067438 /nfs/dbraw/zinc/06/74/38/227067438.db2.gz IFXJUKLLOSVWTM-OAHLLOKOSA-N 0 0 324.359 2.186 10 30 DEEERN CCOc1cc(CN2CCN(C3CC3)[C@@H](C#N)C2)ccc1OC ZINC000371336491 227067607 /nfs/dbraw/zinc/06/76/07/227067607.db2.gz POPALIOVXNVCTA-INIZCTEOSA-N 0 0 315.417 2.266 10 30 DEEERN Cc1nn(-c2ccccc2)cc1CN1CCN(C2CC2)[C@H](C#N)C1 ZINC000371326268 227068496 /nfs/dbraw/zinc/06/84/96/227068496.db2.gz IFVSJZVOEBOSGP-LJQANCHMSA-N 0 0 321.428 2.353 10 30 DEEERN N#C[C@@H]1CN(Cc2cc(Cl)cc3c2OCC3)CCN1C1CC1 ZINC000371680939 227076298 /nfs/dbraw/zinc/07/62/98/227076298.db2.gz MXBJTUKSFVPETH-MRXNPFEDSA-N 0 0 317.820 2.447 10 30 DEEERN CCn1nc(CN2CCN(C3CC3)[C@H](C#N)C2)c2ccccc21 ZINC000372219605 227084854 /nfs/dbraw/zinc/08/48/54/227084854.db2.gz YCMKDSQEDVCVEN-OAHLLOKOSA-N 0 0 309.417 2.228 10 30 DEEERN C[C@@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C1CCCCC1 ZINC000377881323 227204095 /nfs/dbraw/zinc/20/40/95/227204095.db2.gz WFBZVQSRIYBFIN-CZUORRHYSA-N 0 0 304.438 2.337 10 30 DEEERN C[C@H]1CCC[C@](C#N)(NC(=O)c2nn(C)c3ccccc3c2=O)C1 ZINC000408003359 227226045 /nfs/dbraw/zinc/22/60/45/227226045.db2.gz FLPSNXJNLHMHOB-SGTLLEGYSA-N 0 0 324.384 2.136 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000408340062 227232523 /nfs/dbraw/zinc/23/25/23/227232523.db2.gz UAXRERDYUNNXHS-WRWORJQWSA-N 0 0 304.293 2.074 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NCC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000408466861 227234306 /nfs/dbraw/zinc/23/43/06/227234306.db2.gz MRDBAFAFSHFLSZ-SDDRHHMPSA-N 0 0 303.328 2.069 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)c1 ZINC000527475608 421388508 /nfs/dbraw/zinc/38/85/08/421388508.db2.gz ROAZSIQXKFIVMB-AWEZNQCLSA-N 0 0 310.357 2.357 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cc(C2CC2)n(CC)n1 ZINC000627687050 421847984 /nfs/dbraw/zinc/84/79/84/421847984.db2.gz PXQWKRGFQMTOEY-UHFFFAOYSA-N 0 0 318.421 2.437 10 30 DEEERN C=C(C)C[C@@H](Nc1nc2ccccc2n(CC)c1=O)C(=O)OC ZINC000601227487 422423063 /nfs/dbraw/zinc/42/30/63/422423063.db2.gz PZUGLMBWWZBRPB-CYBMUJFWSA-N 0 0 315.373 2.336 10 30 DEEERN C=CCOCCCNC(=O)c1cnc(C2CCCC2)nc1N ZINC000618526081 422525729 /nfs/dbraw/zinc/52/57/29/422525729.db2.gz PXFVNCVOMHMGPP-UHFFFAOYSA-N 0 0 304.394 2.039 10 30 DEEERN C[C@@H]1C[C@@H]1CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000358700398 424824134 /nfs/dbraw/zinc/82/41/34/424824134.db2.gz XMUSCNAUUYLITF-GHMZBOCLSA-N 0 0 313.336 2.661 10 30 DEEERN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCOC(C)(C)[C@H]1C ZINC000519248567 424825203 /nfs/dbraw/zinc/82/52/03/424825203.db2.gz LWRWFAVTVKZYEU-ZIAGYGMSSA-N 0 0 320.437 2.362 10 30 DEEERN C=CCNc1ncc(C(=O)N[C@H](C)c2cncc(F)c2)s1 ZINC000359657583 424831989 /nfs/dbraw/zinc/83/19/89/424831989.db2.gz MAOAHZKQLOHOPZ-SECBINFHSA-N 0 0 306.366 2.766 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1nnc(OC)s1 ZINC000417051477 424961189 /nfs/dbraw/zinc/96/11/89/424961189.db2.gz ZYLYBMAQJKQXLY-LBPRGKRZSA-N 0 0 318.402 2.856 10 30 DEEERN C=CCOc1cccnc1C(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000342399559 424963378 /nfs/dbraw/zinc/96/33/78/424963378.db2.gz JOYXQFMWAGDBDJ-UHFFFAOYSA-N 0 0 321.340 2.684 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1nnc(CCCCC)s1 ZINC000425627253 424998689 /nfs/dbraw/zinc/99/86/89/424998689.db2.gz UUPJWPZXOZEEIX-RYUDHWBXSA-N 0 0 324.450 2.983 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCC[C@]3(CCCOC3)C2)s1 ZINC000433205194 425021785 /nfs/dbraw/zinc/02/17/85/425021785.db2.gz BVHWTLMVEPKDND-INIZCTEOSA-N 0 0 321.446 2.774 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccn(CCC#N)n1 ZINC000596754347 425028902 /nfs/dbraw/zinc/02/89/02/425028902.db2.gz WCSWYIJOEQKPQF-KBPBESRZSA-N 0 0 301.394 3.053 10 30 DEEERN C=CCCCCCNC(=O)Nc1ccn(C(C)(C)C(=O)OC)n1 ZINC000597077593 425031676 /nfs/dbraw/zinc/03/16/76/425031676.db2.gz XSTPSTKJQKNXQP-UHFFFAOYSA-N 0 0 322.409 2.659 10 30 DEEERN C=CCOc1ccccc1CNc1ncn(CC(F)(F)F)n1 ZINC000446885800 425051424 /nfs/dbraw/zinc/05/14/24/425051424.db2.gz YPAWYBSWSDNVIE-UHFFFAOYSA-N 0 0 312.295 3.017 10 30 DEEERN C=CCNc1ncc(C(=O)NC[C@@H]2CCO[C@@H](C(C)C)C2)s1 ZINC000452828892 425087207 /nfs/dbraw/zinc/08/72/07/425087207.db2.gz KOJKDTVVFRUFMG-CHWSQXEVSA-N 0 0 323.462 2.922 10 30 DEEERN N#Cc1cccc(CC(=O)N[C@@H](CC(N)=O)C2CCCCC2)c1 ZINC000531454587 268276799 /nfs/dbraw/zinc/27/67/99/268276799.db2.gz ILSPSEMYJJNFJR-INIZCTEOSA-N 0 0 313.401 2.041 10 30 DEEERN N#Cc1cc(S(=O)(=O)NC[C@H]2CCCC2(F)F)ccc1F ZINC000391100626 269098289 /nfs/dbraw/zinc/09/82/89/269098289.db2.gz UOUJWSMGTQQOEY-SNVBAGLBSA-N 0 0 318.320 2.411 10 30 DEEERN CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)s1 ZINC000268433168 276075547 /nfs/dbraw/zinc/07/55/47/276075547.db2.gz FPFVVWKRKQEDQT-UHFFFAOYSA-N 0 0 314.418 2.255 10 30 DEEERN CC(C)(C)c1ncsc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000365770964 277277024 /nfs/dbraw/zinc/27/70/24/277277024.db2.gz KURQAAXIRBJXCI-GFCCVEGCSA-N 0 0 318.446 2.253 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000288455650 277670034 /nfs/dbraw/zinc/67/00/34/277670034.db2.gz LWFIPVFEZQREEK-UHFFFAOYSA-N 0 0 314.429 2.043 10 30 DEEERN C=CCC1(C(=O)N2C[C@@H](C(=O)OCC)C3(COC3)C2)CCCC1 ZINC000452228728 277824862 /nfs/dbraw/zinc/82/48/62/277824862.db2.gz VTGKMMDYTVPEPF-AWEZNQCLSA-N 0 0 321.417 2.161 10 30 DEEERN C=C[C@H]1CCCCN1S(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000416477387 277913631 /nfs/dbraw/zinc/91/36/31/277913631.db2.gz SNADLHABLCESPF-JTQLQIEISA-N 0 0 319.377 2.395 10 30 DEEERN CC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000361606328 278010369 /nfs/dbraw/zinc/01/03/69/278010369.db2.gz GMCHUUVAFREYLV-CYBMUJFWSA-N 0 0 302.378 2.064 10 30 DEEERN CC1(C#N)CCN(C(=O)NC[C@@H]2COC3(CCCCC3)O2)CC1 ZINC000371640960 278170505 /nfs/dbraw/zinc/17/05/05/278170505.db2.gz BOZGQNLJKPFXEW-CQSZACIVSA-N 0 0 321.421 2.397 10 30 DEEERN N#Cc1cc(Br)cnc1N1CC[C@]2(CCOC2)C1 ZINC000450380316 279500185 /nfs/dbraw/zinc/50/01/85/279500185.db2.gz QJEGQSHGUKWVGM-ZDUSSCGKSA-N 0 0 308.179 2.333 10 30 DEEERN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)CCCC#N ZINC000246920212 288394631 /nfs/dbraw/zinc/39/46/31/288394631.db2.gz CXNLRRZLCMARSJ-FMKPAKJESA-N 0 0 322.430 2.470 10 30 DEEERN CO[C@H](C)c1noc(CN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)n1 ZINC000369312031 294349149 /nfs/dbraw/zinc/34/91/49/294349149.db2.gz KEVGGIGSQGMQPA-WWGRRREGSA-N 0 0 320.393 2.204 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@@H]2CC23CCCCC3)CCN1C1CC1 ZINC000361990469 294824923 /nfs/dbraw/zinc/82/49/23/294824923.db2.gz JNTYLYRTGRIWCU-HUUCEWRRSA-N 0 0 302.422 2.091 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCN2CCOc3cccc1c32 ZINC000374493743 294984762 /nfs/dbraw/zinc/98/47/62/294984762.db2.gz AOQLTXGXHZLEEM-UHFFFAOYSA-N 0 0 311.366 2.479 10 30 DEEERN O=C(N[C@@H]1CCc2c[nH]nc2C1)c1ncoc1[C@H]1CCCO1 ZINC000329846720 295384245 /nfs/dbraw/zinc/38/42/45/295384245.db2.gz MJBAPSNXWQTMAJ-ZYHUDNBSSA-N 0 0 302.334 2.111 10 30 DEEERN N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000408339994 303167651 /nfs/dbraw/zinc/16/76/51/303167651.db2.gz MSOCTTVDNOPEOY-LDYMZIIASA-N 0 0 302.758 2.450 10 30 DEEERN N#C[C@H]1CN(C(=O)[C@H](c2ccccc2)C2CC2)CCN1C1CC1 ZINC000371373818 303169154 /nfs/dbraw/zinc/16/91/54/303169154.db2.gz BJXFHGURRCSVCZ-ZWKOTPCHSA-N 0 0 309.413 2.379 10 30 DEEERN COC(=O)c1cccc(CN2CCC[C@H]2c2cc[nH]n2)c1C#N ZINC000574180533 326131209 /nfs/dbraw/zinc/13/12/09/326131209.db2.gz LHLVZMORMKVSHU-INIZCTEOSA-N 0 0 310.357 2.405 10 30 DEEERN N#CCCN(C(=O)c1cn2cccnc2n1)c1ccc(F)cc1 ZINC000558143288 331879503 /nfs/dbraw/zinc/87/95/03/331879503.db2.gz OSUTZIKHDQINPV-UHFFFAOYSA-N 0 0 309.304 2.429 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000566674839 332525286 /nfs/dbraw/zinc/52/52/86/332525286.db2.gz OFQZCEASASNNAU-UBHSHLNASA-N 0 0 324.812 2.084 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000580188891 332994387 /nfs/dbraw/zinc/99/43/87/332994387.db2.gz YEPZSHVMUWRQPW-XGUBFFRZSA-N 0 0 310.438 2.016 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000562996152 333025987 /nfs/dbraw/zinc/02/59/87/333025987.db2.gz ITJMRKBUAJCVQH-YEWWUXTCSA-N 0 0 314.385 2.435 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000562995898 333026093 /nfs/dbraw/zinc/02/60/93/333026093.db2.gz BMTDBWWVHUMQMH-BBRMVZONSA-N 0 0 314.360 2.436 10 30 DEEERN C=CCCCCCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000565164405 333597762 /nfs/dbraw/zinc/59/77/62/333597762.db2.gz UCSAHSLGVDPHFX-UHFFFAOYSA-N 0 0 324.446 2.413 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1C[C@H](C)OC2(CCC2)C1 ZINC000563416389 333602310 /nfs/dbraw/zinc/60/23/10/333602310.db2.gz IVYDEHAMHMGNDZ-AWEZNQCLSA-N 0 0 308.422 2.019 10 30 DEEERN CC#CCCCC(=O)NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000361057459 336735671 /nfs/dbraw/zinc/73/56/71/336735671.db2.gz GTJGDOIJSRVQEZ-AWEZNQCLSA-N 0 0 309.356 2.426 10 30 DEEERN CC#CCCCC(=O)NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000361057460 336735635 /nfs/dbraw/zinc/73/56/35/336735635.db2.gz GTJGDOIJSRVQEZ-CQSZACIVSA-N 0 0 309.356 2.426 10 30 DEEERN C=CCOCCNC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000361105679 336738765 /nfs/dbraw/zinc/73/87/65/336738765.db2.gz MMGINSHNNIKOLJ-CQSZACIVSA-N 0 0 321.396 2.154 10 30 DEEERN C#CCC(C)(C)C(=O)N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000375118651 337003828 /nfs/dbraw/zinc/00/38/28/337003828.db2.gz ACLWBPWWNZSXEU-AWEZNQCLSA-N 0 0 304.390 2.458 10 30 DEEERN C=CCn1c(N2CCO[C@@H](C(C)C)C2)nnc1[C@@]1(C)CCCO1 ZINC000582468746 337093987 /nfs/dbraw/zinc/09/39/87/337093987.db2.gz GCDZSTPOISICST-RHSMWYFYSA-N 0 0 320.437 2.351 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@]1(C)CCO[C@H]1C1CC1 ZINC000582842241 337208123 /nfs/dbraw/zinc/20/81/23/337208123.db2.gz MRWJRKPFCZZJIA-QBYUYEEZSA-N 0 0 308.422 2.082 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)NC[C@H]1CSc2ccccc2O1 ZINC000582961651 337219000 /nfs/dbraw/zinc/21/90/00/337219000.db2.gz IQCPBTXHTZWIJR-OLZOCXBDSA-N 0 0 322.430 2.024 10 30 DEEERN C=C(C)Cn1c(COCC)nnc1N1CC[C@H](OC(F)F)C1 ZINC000583057766 337233907 /nfs/dbraw/zinc/23/39/07/337233907.db2.gz ZMQPQHTYBYSHBT-NSHDSACASA-N 0 0 316.352 2.209 10 30 DEEERN C=C(C)Cn1c(-c2ncccn2)nnc1N1C[C@@H]2C[C@H]1CS2 ZINC000583742025 337327971 /nfs/dbraw/zinc/32/79/71/337327971.db2.gz AZVVTIIMDZXUTI-RYUDHWBXSA-N 0 0 314.418 2.005 10 30 DEEERN Cc1ccc(S(=O)(=O)[C@@H](C#N)c2ncccc2[N+](=O)[O-])cc1 ZINC000584628861 337376493 /nfs/dbraw/zinc/37/64/93/337376493.db2.gz WSLURKCGEHLPMN-ZDUSSCGKSA-N 0 0 317.326 2.337 10 30 DEEERN C=C(C)CNC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1 ZINC000161219997 337573788 /nfs/dbraw/zinc/57/37/88/337573788.db2.gz KNRIUSBBWDZRGE-QGZVFWFLSA-N 0 0 323.396 2.115 10 30 DEEERN C=CCC(C)(C)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000452244909 338760355 /nfs/dbraw/zinc/76/03/55/338760355.db2.gz JPGXTLCWYRWELS-LBPRGKRZSA-N 0 0 307.415 2.276 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)CC12CCC(CC1)CC2 ZINC000567583346 340489292 /nfs/dbraw/zinc/48/92/92/340489292.db2.gz GGDFKEHXIDNZAJ-PYBGIAKNSA-N 0 0 313.463 2.467 10 30 DEEERN C=CCC[C@@H](CO)NS(=O)(=O)c1cccc2ccccc21 ZINC000316573564 340692953 /nfs/dbraw/zinc/69/29/53/340692953.db2.gz GQTRWVXMJKAKNA-AWEZNQCLSA-N 0 0 305.399 2.445 10 30 DEEERN C[C@@H]1CC(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000543735100 341055798 /nfs/dbraw/zinc/05/57/98/341055798.db2.gz FGQKDHCJAUXNJB-QFSBIZTOSA-N 0 0 324.421 2.320 10 30 DEEERN C=CCN(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000555218017 341477435 /nfs/dbraw/zinc/47/74/35/341477435.db2.gz GJVQTJOMXXNYBZ-UHFFFAOYSA-N 0 0 302.334 2.446 10 30 DEEERN C=CCCn1cc(C(=O)Nc2ncn(C3CCCCC3)n2)nn1 ZINC000567465876 341608365 /nfs/dbraw/zinc/60/83/65/341608365.db2.gz SOURQCPZTCZNFW-UHFFFAOYSA-N 0 0 315.381 2.203 10 30 DEEERN C=CCn1c(N2CC[C@@H](OC(C)C)C2)nnc1[C@@]1(C)CCCO1 ZINC000567858547 341637159 /nfs/dbraw/zinc/63/71/59/341637159.db2.gz CMFGTPYWSHAUPR-RHSMWYFYSA-N 0 0 320.437 2.493 10 30 DEEERN C=CCn1c(COCC)nnc1N1CCC[C@]2(CCOC2)C1 ZINC000573915634 341743087 /nfs/dbraw/zinc/74/30/87/341743087.db2.gz DNKIYQAIRHMDOH-INIZCTEOSA-N 0 0 306.410 2.008 10 30 DEEERN C=CCCCCCNC(=O)N1CCC(C)(C)S(=O)(=O)CC1 ZINC000575879364 341812493 /nfs/dbraw/zinc/81/24/93/341812493.db2.gz RQWIWRHRJHUPQS-UHFFFAOYSA-N 0 0 316.467 2.342 10 30 DEEERN CN(C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2)C1(C#N)CCC1 ZINC000173231188 341813985 /nfs/dbraw/zinc/81/39/85/341813985.db2.gz SQSCGJMDBPEHMQ-KBPBESRZSA-N 0 0 312.369 2.466 10 30 DEEERN Cc1cc2ccccc2n1CC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000370975262 534123569 /nfs/dbraw/zinc/12/35/69/534123569.db2.gz XSXVIBXGVFRDNR-QGZVFWFLSA-N 0 0 322.412 2.149 10 30 DEEERN Cc1nc(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)no1 ZINC000176070306 534377555 /nfs/dbraw/zinc/37/75/55/534377555.db2.gz MCDONBPBKGYOOA-UHFFFAOYSA-N 0 0 323.259 2.173 10 30 DEEERN Cc1noc([C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCO[C@H]3C)O2)n1 ZINC000330193290 534462580 /nfs/dbraw/zinc/46/25/80/534462580.db2.gz YMFLGJZGAHPFSP-SQNXGDPESA-N 0 0 309.366 2.370 10 30 DEEERN Cc1noc([C@@H]2CC[C@H](CNC(=O)[C@@H]3O[C@H](C)C[C@@H]3C)O2)n1 ZINC000328858845 534463046 /nfs/dbraw/zinc/46/30/46/534463046.db2.gz YJXAHQILOYCUNC-NELYUFSOSA-N 0 0 309.366 2.368 10 30 DEEERN C=CCC(CC=C)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000452248023 534565027 /nfs/dbraw/zinc/56/50/27/534565027.db2.gz NYVYHFNRTYRECO-CQSZACIVSA-N 0 0 319.426 2.442 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(OC)c(OC)cc1C ZINC000456264373 534570792 /nfs/dbraw/zinc/57/07/92/534570792.db2.gz MZJUAFDWFNLXBG-KGLIPLIRSA-N 0 0 305.374 2.476 10 30 DEEERN Cc1nc([C@H](C)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)no1 ZINC000329860734 534593149 /nfs/dbraw/zinc/59/31/49/534593149.db2.gz XMWNXSYGGIVQGG-ZMNCSTGQSA-N 0 0 323.356 2.434 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(F)c(C(=O)OC)c1C ZINC000455484377 534603403 /nfs/dbraw/zinc/60/34/03/534603403.db2.gz ZOMPMDDWVLBWSO-OLZOCXBDSA-N 0 0 322.336 2.386 10 30 DEEERN Cn1c(CN(CCC#N)Cc2ccccn2)nnc1C1CCC1 ZINC000181413715 534685005 /nfs/dbraw/zinc/68/50/05/534685005.db2.gz PBLPXZZOWDTVHF-UHFFFAOYSA-N 0 0 310.405 2.393 10 30 DEEERN O=C(N[C@@H]1CCc2c[nH]nc2C1)c1ncoc1[C@@H]1CCCO1 ZINC000329846719 534764916 /nfs/dbraw/zinc/76/49/16/534764916.db2.gz MJBAPSNXWQTMAJ-PWSUYJOCSA-N 0 0 302.334 2.111 10 30 DEEERN C=CCOCCCC(=O)N1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000456652998 534872548 /nfs/dbraw/zinc/87/25/48/534872548.db2.gz MQZRMXBAJVQDPK-CYBMUJFWSA-N 0 0 322.371 2.312 10 30 DEEERN C=CCOc1ccc(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)cc1 ZINC000449715216 534883800 /nfs/dbraw/zinc/88/38/00/534883800.db2.gz DQGJNHMYPQIOHD-SJORKVTESA-N 0 0 321.442 2.403 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)C(=O)OC1CCCC1 ZINC000127865256 526192039 /nfs/dbraw/zinc/19/20/39/526192039.db2.gz YYFXTOYQLWBMPG-LBPRGKRZSA-N 0 0 300.358 2.471 10 30 DEEERN C=CCN(CCOC)C(=O)C(=O)Nc1ccc(CC)c(CC)c1 ZINC000190743523 526284029 /nfs/dbraw/zinc/28/40/29/526284029.db2.gz ZCCHGVSDDRYGGW-UHFFFAOYSA-N 0 0 318.417 2.411 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178399718 526310879 /nfs/dbraw/zinc/31/08/79/526310879.db2.gz UKYDIIHDLSYIJM-MRXNPFEDSA-N 0 0 317.433 2.197 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)Nc1cc(COC)ncn1 ZINC000352816421 526319791 /nfs/dbraw/zinc/31/97/91/526319791.db2.gz DSVCHEKTSTYVEP-UHFFFAOYSA-N 0 0 316.361 2.479 10 30 DEEERN CC#CCCNC(=O)Nc1cccc(N(C)C(=O)NCC)c1 ZINC000433514719 526331571 /nfs/dbraw/zinc/33/15/71/526331571.db2.gz GUSNFIPFZQCFGF-UHFFFAOYSA-N 0 0 302.378 2.387 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)c2oc(CC(C)C)nc2C)C1=O ZINC000337048618 526498047 /nfs/dbraw/zinc/49/80/47/526498047.db2.gz HSTYDSJOQXVCCI-ZDUSSCGKSA-N 0 0 319.405 2.040 10 30 DEEERN C=CCNC(=O)CN1CCN(Cc2ccc(C)c(Cl)c2)CC1 ZINC000447796167 526539288 /nfs/dbraw/zinc/53/92/88/526539288.db2.gz UCCRFLUGXLNNPH-UHFFFAOYSA-N 0 0 321.852 2.068 10 30 DEEERN CC(=O)N1CCC[C@@H](CNC(=O)c2snnc2C(C)(C)C)C1 ZINC000331045101 526568915 /nfs/dbraw/zinc/56/89/15/526568915.db2.gz HDXDSKOOQWFQCU-NSHDSACASA-N 0 0 324.450 2.399 10 30 DEEERN C=CCNC(=O)c1ccc(N2CC[C@]3(C2)CCCOC3)nc1 ZINC000376426126 526642644 /nfs/dbraw/zinc/64/26/44/526642644.db2.gz JDUWSPCNHLHOGU-KRWDZBQOSA-N 0 0 301.390 2.004 10 30 DEEERN C=C(C)COCCNC(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000413384505 526644971 /nfs/dbraw/zinc/64/49/71/526644971.db2.gz POIPGOXDNCFPPX-HNNXBMFYSA-N 0 0 321.396 2.296 10 30 DEEERN C=C(C)COc1cc(CN2CC(=O)N(CC)C2)ccc1OC ZINC000191844975 526659501 /nfs/dbraw/zinc/65/95/01/526659501.db2.gz MGGSAFDOSWLDSE-UHFFFAOYSA-N 0 0 304.390 2.272 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCCN(c2ccccc2F)CC1 ZINC000375640135 526675359 /nfs/dbraw/zinc/67/53/59/526675359.db2.gz IFNNNFIMOCVVFL-UHFFFAOYSA-N 0 0 312.410 2.244 10 30 DEEERN C#CCCCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000376980736 526678861 /nfs/dbraw/zinc/67/88/61/526678861.db2.gz FJJFYFBTLCVNKA-INIZCTEOSA-N 0 0 314.385 2.428 10 30 DEEERN C#CCCCCC(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000179723343 526686453 /nfs/dbraw/zinc/68/64/53/526686453.db2.gz VZRULORLCLTQSX-LBPRGKRZSA-N 0 0 305.403 2.266 10 30 DEEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCO[C@H](CF)C1 ZINC000414540039 526718352 /nfs/dbraw/zinc/71/83/52/526718352.db2.gz OJBLSMTTXDOFAE-CYBMUJFWSA-N 0 0 306.341 2.289 10 30 DEEERN C=CCOCCCC(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000079479235 526732311 /nfs/dbraw/zinc/73/23/11/526732311.db2.gz DWQKAONAOBLRRI-LBPRGKRZSA-N 0 0 323.418 2.055 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N(CC)CC1CC1 ZINC000292739285 526739831 /nfs/dbraw/zinc/73/98/31/526739831.db2.gz ADFSYJOXPKFJTR-CQSZACIVSA-N 0 0 306.410 2.178 10 30 DEEERN N#Cc1cccnc1N1CCN(Cc2cc(F)ccc2O)CC1 ZINC000179895930 526752794 /nfs/dbraw/zinc/75/27/94/526752794.db2.gz XFFAMYXRYSWSKX-UHFFFAOYSA-N 0 0 312.348 2.120 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC1CCC(OC)CC1 ZINC000437935061 526775252 /nfs/dbraw/zinc/77/52/52/526775252.db2.gz RFRDZJMOGIUHJO-KNIAUWFNSA-N 0 0 310.438 2.472 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](OC)c1ccc(O)cc1 ZINC000357643303 526778400 /nfs/dbraw/zinc/77/84/00/526778400.db2.gz BURRWYVHYHHNOA-KBMXLJTQSA-N 0 0 305.374 2.177 10 30 DEEERN C=CCOc1ccc(CC(=O)NC(C)(C)C(=O)OCC)cc1 ZINC000294578398 526856811 /nfs/dbraw/zinc/85/68/11/526856811.db2.gz METUOBSXIVROTF-UHFFFAOYSA-N 0 0 305.374 2.252 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000375926999 526923269 /nfs/dbraw/zinc/92/32/69/526923269.db2.gz JMJLJYRYBQQZTK-GOSISDBHSA-N 0 0 317.385 2.273 10 30 DEEERN C=CCSCCNC(=O)NCCOc1ccc(C#N)cc1 ZINC000176241183 526991568 /nfs/dbraw/zinc/99/15/68/526991568.db2.gz VBAQWGPFYZWORU-UHFFFAOYSA-N 0 0 305.403 2.155 10 30 DEEERN C=CCC(C)(C)CNS(=O)(=O)c1c(C)nn(C)c1Cl ZINC000292789617 527018206 /nfs/dbraw/zinc/01/82/06/527018206.db2.gz RLBQZXWYWRXDOK-UHFFFAOYSA-N 0 0 305.831 2.263 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000341457416 527041127 /nfs/dbraw/zinc/04/11/27/527041127.db2.gz KUJOVMLEPIDMEA-HUUCEWRRSA-N 0 0 320.437 2.475 10 30 DEEERN C=CCC1(C(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)CCC1 ZINC000191556190 527046320 /nfs/dbraw/zinc/04/63/20/527046320.db2.gz DMYBMTVLTBMIEU-MRXNPFEDSA-N 0 0 317.433 2.474 10 30 DEEERN C#CCO[C@@H](C)C(=O)N1CCc2cccc(Br)c2C1 ZINC000295756235 527071737 /nfs/dbraw/zinc/07/17/37/527071737.db2.gz HMBDVICYAPZCMD-NSHDSACASA-N 0 0 322.202 2.372 10 30 DEEERN C#CCOc1ccccc1NC(=O)C[C@H]1CCOC[C@@H]1OC ZINC000295676731 527132293 /nfs/dbraw/zinc/13/22/93/527132293.db2.gz GPRPZNYDVVHZFD-CJNGLKHVSA-N 0 0 303.358 2.079 10 30 DEEERN C=CCCCCNC(=O)N1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000372140938 527152097 /nfs/dbraw/zinc/15/20/97/527152097.db2.gz UREOXCRJXVQIBY-OAHLLOKOSA-N 0 0 320.437 2.476 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CC1(CO)CC1 ZINC000288282664 527159948 /nfs/dbraw/zinc/15/99/48/527159948.db2.gz VJNHWPWBHCAEOV-INIZCTEOSA-N 0 0 300.402 2.035 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCc2nccn2C1 ZINC000376219885 527161299 /nfs/dbraw/zinc/16/12/99/527161299.db2.gz GZUHEYWLHQLYBN-IRXDYDNUSA-N 0 0 307.397 2.196 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1nnc(C2CC2)[nH]1 ZINC000298139862 527161635 /nfs/dbraw/zinc/16/16/35/527161635.db2.gz ZEPSGPVVSNOPCM-HNNXBMFYSA-N 0 0 323.400 2.116 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCCC[C@@H](CCOC)C1 ZINC000410994990 527174572 /nfs/dbraw/zinc/17/45/72/527174572.db2.gz FVUAPLHRYSSSQM-HNNXBMFYSA-N 0 0 310.438 2.076 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000341661805 527175509 /nfs/dbraw/zinc/17/55/09/527175509.db2.gz UKCKDXUXRFJXQK-OLZOCXBDSA-N 0 0 322.405 2.249 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](C)c1csc(CC)n1 ZINC000286934591 527178775 /nfs/dbraw/zinc/17/87/75/527178775.db2.gz LQTWGWYEVMBYJR-LLVKDONJSA-N 0 0 309.435 2.307 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000299429929 527179857 /nfs/dbraw/zinc/17/98/57/527179857.db2.gz XOZNNRUMZDCXHI-UHFFFAOYSA-N 0 0 305.334 2.266 10 30 DEEERN C=CCCCN(C)C(=O)CSc1nnnn1C1CCCC1 ZINC000076489939 527181155 /nfs/dbraw/zinc/18/11/55/527181155.db2.gz JDWBOJVZRWLZGS-UHFFFAOYSA-N 0 0 309.439 2.305 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1cnc2onc(C(C)C)c2c1 ZINC000342181927 527184749 /nfs/dbraw/zinc/18/47/49/527184749.db2.gz OIOPPVZYWGQKAP-NSHDSACASA-N 0 0 303.362 2.261 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCc1ccccc1OC(F)F ZINC000191568201 527196789 /nfs/dbraw/zinc/19/67/89/527196789.db2.gz LSLOGJDHAYHKIU-GFCCVEGCSA-N 0 0 314.332 2.067 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000368833387 527197392 /nfs/dbraw/zinc/19/73/92/527197392.db2.gz JPJRHIQEILEVOR-QGZVFWFLSA-N 0 0 311.385 2.485 10 30 DEEERN C=CCCCNC(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 ZINC000448028174 527218848 /nfs/dbraw/zinc/21/88/48/527218848.db2.gz CHQLDKIIWSOOEU-UHFFFAOYSA-N 0 0 321.343 2.195 10 30 DEEERN C#C[C@@H](C)NC(=O)Nc1c(C)cccc1-c1nnnn1[C@@H]1C[C@H]1C ZINC000287770988 527224911 /nfs/dbraw/zinc/22/49/11/527224911.db2.gz WCDSBLKREFZGRQ-YRGRVCCFSA-N 0 0 324.388 2.373 10 30 DEEERN CC(=O)c1ccc(C#N)c(NC[C@H](C)N2CCOC[C@H]2C)c1 ZINC000302041187 527226764 /nfs/dbraw/zinc/22/67/64/527226764.db2.gz RLLCMBFTGKOQBI-QWHCGFSZSA-N 0 0 301.390 2.282 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@@H]2CCCOC2)c(OC)c1 ZINC000171695502 527252609 /nfs/dbraw/zinc/25/26/09/527252609.db2.gz DOHOYKMVWZUTIY-CQSZACIVSA-N 0 0 305.374 2.098 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)NCc1cccnc1-n1cncn1 ZINC000180542082 527266888 /nfs/dbraw/zinc/26/68/88/527266888.db2.gz IRCLQYJXZQSORY-CYBMUJFWSA-N 0 0 314.393 2.206 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000410841962 527300551 /nfs/dbraw/zinc/30/05/51/527300551.db2.gz JEPJFEJPZUOPKE-GOSISDBHSA-N 0 0 318.392 2.350 10 30 DEEERN C=CCCN(C)C(=O)C(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000342597619 527306605 /nfs/dbraw/zinc/30/66/05/527306605.db2.gz IJKOAWXUEXXBHS-UHFFFAOYSA-N 0 0 312.373 2.154 10 30 DEEERN C=CCCN(C)C(=O)CNC(=O)c1cc2c(s1)CCCC2 ZINC000346108268 527307430 /nfs/dbraw/zinc/30/74/30/527307430.db2.gz TUKPPFAUNQOVHW-UHFFFAOYSA-N 0 0 306.431 2.391 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N1CC(C)(OC)C1 ZINC000350751858 527320397 /nfs/dbraw/zinc/32/03/97/527320397.db2.gz ITXKSSUGGAHDKR-UHFFFAOYSA-N 0 0 302.378 2.067 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000337862924 527320803 /nfs/dbraw/zinc/32/08/03/527320803.db2.gz OFDHLDTUWOWLSJ-OKILXGFUSA-N 0 0 316.405 2.456 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)c1ccccc1 ZINC000289311671 527353233 /nfs/dbraw/zinc/35/32/33/527353233.db2.gz AQWVMXVAEZPMHO-AWEZNQCLSA-N 0 0 300.362 2.320 10 30 DEEERN C=CCCO[C@@H](C)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000188256695 527386741 /nfs/dbraw/zinc/38/67/41/527386741.db2.gz CVTIHRBNVIWLFO-ZDUSSCGKSA-N 0 0 300.362 2.246 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000187140510 527401161 /nfs/dbraw/zinc/40/11/61/527401161.db2.gz RSOYQUQYCXMMTM-KFWWJZLASA-N 0 0 311.422 2.058 10 30 DEEERN C#Cc1cc(F)c(NC(=O)C(=O)NC2(CC)CCC2)c(F)c1 ZINC000283698137 527432040 /nfs/dbraw/zinc/43/20/40/527432040.db2.gz UVDCMMRLVXCQEA-UHFFFAOYSA-N 0 0 306.312 2.334 10 30 DEEERN C=CCC[C@H](C(=O)N1CCCNC(=O)[C@H]1C)c1ccccc1 ZINC000189235496 527461731 /nfs/dbraw/zinc/46/17/31/527461731.db2.gz YZEQLSRHGWDEMF-ZBFHGGJFSA-N 0 0 300.402 2.473 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CCN(c2cnccc2C)CC1 ZINC000341950055 527527095 /nfs/dbraw/zinc/52/70/95/527527095.db2.gz ODPSQVHJZMDJIQ-SFHVURJKSA-N 0 0 317.433 2.267 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000189046967 527532379 /nfs/dbraw/zinc/53/23/79/527532379.db2.gz NXWJTORNROZDAK-SJCJKPOMSA-N 0 0 307.438 2.313 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)N1CCO[C@H](c2nccs2)C1 ZINC000195521701 527633383 /nfs/dbraw/zinc/63/33/83/527633383.db2.gz AERNEWZKQJMYQJ-KBPBESRZSA-N 0 0 321.446 2.106 10 30 DEEERN CC1(C)[C@H](NC(=O)Cc2ccc(OCC#N)cc2)[C@H]2CCO[C@H]21 ZINC000247332185 527856467 /nfs/dbraw/zinc/85/64/67/527856467.db2.gz XXGKOISJJKNCSZ-DJIMGWMZSA-N 0 0 314.385 2.061 10 30 DEEERN CCCCCCCS(=O)(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000195342428 528135720 /nfs/dbraw/zinc/13/57/20/528135720.db2.gz DOEFSVTWQGDOCX-CYBMUJFWSA-N 0 0 314.455 2.311 10 30 DEEERN CC1CCC(N2C[C@H](C(=O)N[C@H]3CCC[C@H]3C#N)CC2=O)CC1 ZINC000408332380 528198274 /nfs/dbraw/zinc/19/82/74/528198274.db2.gz WKFLMGXMAWBAND-BJWPUDQFSA-N 0 0 317.433 2.222 10 30 DEEERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cccc(CC#N)c1)CC2 ZINC000176752868 528335409 /nfs/dbraw/zinc/33/54/09/528335409.db2.gz RIAZDPWWSOIQJH-HNNXBMFYSA-N 0 0 323.400 2.212 10 30 DEEERN CCN(CCC#N)C(=O)CN1CCC[C@@H](c2nccs2)C1 ZINC000195356508 528359079 /nfs/dbraw/zinc/35/90/79/528359079.db2.gz JKALXEJOYKZNPA-CYBMUJFWSA-N 0 0 306.435 2.085 10 30 DEEERN CCCCNC(=O)[C@@H]1CCCN(c2ccc(C)c(C#N)n2)C1 ZINC000302674089 528530716 /nfs/dbraw/zinc/53/07/16/528530716.db2.gz SYNYHQHKUGVECE-CQSZACIVSA-N 0 0 300.406 2.394 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)Cc3ccoc3)C2)n1 ZINC000328612997 528747102 /nfs/dbraw/zinc/74/71/02/528747102.db2.gz QONLRKUTIYYGSD-CYBMUJFWSA-N 0 0 302.334 2.100 10 30 DEEERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c(C#N)c2)n1 ZINC000191597241 529154684 /nfs/dbraw/zinc/15/46/84/529154684.db2.gz IMLOSZWPGPOLJV-UHFFFAOYSA-N 0 0 303.253 2.074 10 30 DEEERN CC[C@@H](C#N)NC(=O)c1cnccc1NC(=O)OC(C)(C)C ZINC000189303365 529270086 /nfs/dbraw/zinc/27/00/86/529270086.db2.gz ZXDWPJAHHRKXPX-JTQLQIEISA-N 0 0 304.350 2.461 10 30 DEEERN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188997219 529366408 /nfs/dbraw/zinc/36/64/08/529366408.db2.gz UKRGMUWJJGFMIL-CHWSQXEVSA-N 0 0 313.401 2.009 10 30 DEEERN C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1nnnn1C1CC1 ZINC000191690858 625539713 /nfs/dbraw/zinc/53/97/13/625539713.db2.gz VLLBQOVSCOMNMJ-NSHDSACASA-N 0 0 322.372 2.054 10 30 DEEERN C#CCOc1cccc(-c2noc([C@@H]3CCCN(C)C3=O)n2)c1 ZINC000297704291 625575836 /nfs/dbraw/zinc/57/58/36/625575836.db2.gz MLSOSYKTMIVYBY-AWEZNQCLSA-N 0 0 311.341 2.084 10 30 DEEERN CON=Cc1ccc(C(=O)N[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000255053942 623171404 /nfs/dbraw/zinc/17/14/04/623171404.db2.gz HRIUCMCQSTZYNE-NSHDSACASA-N 0 0 306.362 2.127 10 30 DEEERN C#CC[C@H](Cc1ccccc1)Nc1ccnc(N2CCOCC2)n1 ZINC000804809029 623250679 /nfs/dbraw/zinc/25/06/79/623250679.db2.gz ZZJBWPMACNSXOT-QGZVFWFLSA-N 0 0 322.412 2.360 10 30 DEEERN C#CCOc1ccc(C(=O)NCc2cccnc2N(C)C)cc1 ZINC000160481262 623847105 /nfs/dbraw/zinc/84/71/05/623847105.db2.gz LVIZEVJSSBAWGO-UHFFFAOYSA-N 0 0 309.369 2.090 10 30 DEEERN CC[S@@](=O)CCNc1c(C#N)cnc2c(C)cc(F)cc21 ZINC000742405905 624031819 /nfs/dbraw/zinc/03/18/19/624031819.db2.gz FUCOKSQBHZUINN-OAQYLSRUSA-N 0 0 305.378 2.156 10 30 DEEERN Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc(C#N)cn2C)c1 ZINC000176091146 624623756 /nfs/dbraw/zinc/62/37/56/624623756.db2.gz VEFRFGKEROKDBB-CQSZACIVSA-N 0 0 306.325 2.166 10 30 DEEERN C#Cc1cccc(NC(=O)c2cc(S(C)(=O)=O)cs2)c1 ZINC000158301906 624884681 /nfs/dbraw/zinc/88/46/81/624884681.db2.gz DWQBDYWFXCTERG-UHFFFAOYSA-N 0 0 305.380 2.385 10 30 DEEERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cccc(CC#N)c2)C1 ZINC000888077581 625055813 /nfs/dbraw/zinc/05/58/13/625055813.db2.gz JYADREHQTSTXKV-HUUCEWRRSA-N 0 0 310.357 2.078 10 30 DEEERN C#CCCCCNC(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC000156593590 625159342 /nfs/dbraw/zinc/15/93/42/625159342.db2.gz PZJQWKBDSGEPQB-UHFFFAOYSA-N 0 0 322.405 2.417 10 30 DEEERN C#C[C@@H](OC(=O)c1cnn2cc(Br)cnc12)C1CC1 ZINC000091700963 625172530 /nfs/dbraw/zinc/17/25/30/625172530.db2.gz JAGPTWUNOLNKOO-LLVKDONJSA-N 0 0 320.146 2.060 10 30 DEEERN Cc1ccc(C(=O)N[C@@H](C(=O)N[C@H](C#N)C2CC2)C(C)C)cc1 ZINC000161820382 625195331 /nfs/dbraw/zinc/19/53/31/625195331.db2.gz DUFRKILTCARUEJ-HZPDHXFCSA-N 0 0 313.401 2.168 10 30 DEEERN N#Cc1ccccc1/C=C\C(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000255780304 625780800 /nfs/dbraw/zinc/78/08/00/625780800.db2.gz ZXCHPYGEMUVPBK-IBSYWUHOSA-N 0 0 317.348 2.015 10 30 DEEERN C#C[C@H](C)NC(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000185976464 632965797 /nfs/dbraw/zinc/96/57/97/632965797.db2.gz JBGIVVHBDFLJDJ-AWEZNQCLSA-N 0 0 316.401 2.203 10 30 DEEERN C#CCOc1ccccc1[C@H](C)OC(=O)c1cccn(C)c1=O ZINC000733697831 633270206 /nfs/dbraw/zinc/27/02/06/633270206.db2.gz LZTUQNLDUDHULL-ZDUSSCGKSA-N 0 0 311.337 2.315 10 30 DEEERN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@@H](C)CC#N)c1 ZINC000733709318 633272515 /nfs/dbraw/zinc/27/25/15/633272515.db2.gz BQBGXZDCUFLQMW-VIFPVBQESA-N 0 0 303.318 2.062 10 30 DEEERN C=C(C)CNC(=S)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000733907962 633295736 /nfs/dbraw/zinc/29/57/36/633295736.db2.gz LWCBXNRUGNFCMT-AWEZNQCLSA-N 0 0 303.431 2.222 10 30 DEEERN C=C(COC(=O)c1cc(NC(C)=O)ccc1F)C(=O)OCC ZINC000734028079 633312798 /nfs/dbraw/zinc/31/27/98/633312798.db2.gz DRTUHFQAOYZSGW-UHFFFAOYSA-N 0 0 309.293 2.060 10 30 DEEERN C=C(COC(=O)c1cncc(Br)c1)C(=O)OCC ZINC000734025040 633318121 /nfs/dbraw/zinc/31/81/21/633318121.db2.gz YARXKJQCJLEBDC-UHFFFAOYSA-N 0 0 314.135 2.120 10 30 DEEERN C=CCNC(=S)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000734311244 633362228 /nfs/dbraw/zinc/36/22/28/633362228.db2.gz NKRIKQBERDXBQU-UHFFFAOYSA-N 0 0 309.410 2.017 10 30 DEEERN CC[S@@](=O)CCNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000734359676 633366044 /nfs/dbraw/zinc/36/60/44/633366044.db2.gz IOJCRYDVNILQQM-OAQYLSRUSA-N 0 0 310.423 2.005 10 30 DEEERN C=CC[C@H](NC(=O)CNC(=O)c1ccsc1)c1ccncc1 ZINC000734360486 633366189 /nfs/dbraw/zinc/36/61/89/633366189.db2.gz KFHKWWMYIVSUFT-AWEZNQCLSA-N 0 0 315.398 2.307 10 30 DEEERN C#CCOc1cccc(OC(=O)c2cccc(-n3cncn3)c2)c1 ZINC000734712235 633421375 /nfs/dbraw/zinc/42/13/75/633421375.db2.gz AYEOYQXWFVPCTR-UHFFFAOYSA-N 0 0 319.320 2.499 10 30 DEEERN C=CCNC(=O)[C@@H](C)OC(=O)C[C@@H]1CCOc2ccccc21 ZINC000735546020 633518276 /nfs/dbraw/zinc/51/82/76/633518276.db2.gz ZLDWQTNTSNWEMP-OLZOCXBDSA-N 0 0 303.358 2.177 10 30 DEEERN Cn1nc(C(=O)OCC#Cc2ccccc2)cc1OC(F)F ZINC000186219099 633991864 /nfs/dbraw/zinc/99/18/64/633991864.db2.gz YNXABOXBQAOKSJ-UHFFFAOYSA-N 0 0 306.268 2.230 10 30 DEEERN C=CC[C@H](NC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1)c1ccncc1 ZINC000739022397 637560289 /nfs/dbraw/zinc/56/02/89/637560289.db2.gz ZXBZWOKBJZWFEJ-KFWWJZLASA-N 0 0 316.405 2.042 10 30 DEEERN C#CCCCOC(=O)CSCC(=O)N(C)C1CCCCC1 ZINC000727041725 637596833 /nfs/dbraw/zinc/59/68/33/637596833.db2.gz NYXOPDWFFWDESB-UHFFFAOYSA-N 0 0 311.447 2.467 10 30 DEEERN C=CCC[C@H](CO)Nc1nccn2nc(C(F)(F)F)cc12 ZINC000320153517 637730410 /nfs/dbraw/zinc/73/04/10/637730410.db2.gz NTSXIRYYMNNWNT-SECBINFHSA-N 0 0 300.284 2.487 10 30 DEEERN N#CCOc1ccc(Cl)cc1COC(=O)c1ncccn1 ZINC000741037458 637935992 /nfs/dbraw/zinc/93/59/92/637935992.db2.gz ZVPQSVNAOHDGFE-UHFFFAOYSA-N 0 0 303.705 2.389 10 30 DEEERN Cc1ccc(CNc2ccc(S(N)(=O)=O)cc2C#N)cc1F ZINC000742174567 638040640 /nfs/dbraw/zinc/04/06/40/638040640.db2.gz FLJWASOKDVILTQ-UHFFFAOYSA-N 0 0 319.361 2.265 10 30 DEEERN C#CCN1CCN(C(=O)c2cccc(-c3cscn3)c2)CC1 ZINC000742671322 638085575 /nfs/dbraw/zinc/08/55/75/638085575.db2.gz VWYOGVWDPIVMEW-UHFFFAOYSA-N 0 0 311.410 2.201 10 30 DEEERN C=CCNC(=S)N[C@@H](Cc1nccn1C)c1ccccc1 ZINC000743022698 638112308 /nfs/dbraw/zinc/11/23/08/638112308.db2.gz UMXRTRCXMYNKBU-AWEZNQCLSA-N 0 0 300.431 2.354 10 30 DEEERN C[C@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1cccc(C#N)c1 ZINC000743708253 638168943 /nfs/dbraw/zinc/16/89/43/638168943.db2.gz BHWSILTTYVIZAQ-GUYCJALGSA-N 0 0 323.400 2.001 10 30 DEEERN C=C(C)CCOC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000744304148 638207868 /nfs/dbraw/zinc/20/78/68/638207868.db2.gz MKZLOQDLDURPFA-UHFFFAOYSA-N 0 0 313.375 2.187 10 30 DEEERN C[C@@H](CNC(=O)C1(C#N)CCOCC1)c1nc2ccccc2o1 ZINC000746573590 638358710 /nfs/dbraw/zinc/35/87/10/638358710.db2.gz SXQYVAAQWZZTEC-LBPRGKRZSA-N 0 0 313.357 2.368 10 30 DEEERN COc1ccc(CNC(=O)COc2ccc(C#N)cc2)cc1C#N ZINC000746857506 638381262 /nfs/dbraw/zinc/38/12/62/638381262.db2.gz HTBDJVGMLMZKEF-UHFFFAOYSA-N 0 0 321.336 2.134 10 30 DEEERN COc1ccc(CNC(=O)c2ccc3nccnc3c2)cc1C#N ZINC000746939061 638388224 /nfs/dbraw/zinc/38/82/24/638388224.db2.gz QWZHJEGQBIQSPJ-UHFFFAOYSA-N 0 0 318.336 2.440 10 30 DEEERN C#CC[C@@H](OC(=O)CSCC(=O)N1CCCCC1)C(C)C ZINC000747195265 638417573 /nfs/dbraw/zinc/41/75/73/638417573.db2.gz AQOXVKKIRDCOGQ-CQSZACIVSA-N 0 0 311.447 2.323 10 30 DEEERN COc1ccc(CNC(=O)c2cc(N)nc(Cl)c2)cc1C#N ZINC000747444631 638437419 /nfs/dbraw/zinc/43/74/19/638437419.db2.gz QRVRODWNVZTHET-UHFFFAOYSA-N 0 0 316.748 2.127 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1cccc(COC(C)(C)C)c1C ZINC000747755395 638473667 /nfs/dbraw/zinc/47/36/67/638473667.db2.gz OHBPVOHOSPZNEZ-UHFFFAOYSA-N 0 0 316.401 2.388 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1cncn1C ZINC000747784614 638477093 /nfs/dbraw/zinc/47/70/93/638477093.db2.gz UYCMTLGWSWJMFD-INIZCTEOSA-N 0 0 313.357 2.439 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)Cn1cccn1 ZINC000804950524 638498392 /nfs/dbraw/zinc/49/83/92/638498392.db2.gz DWOAWPHIFZVYGE-NVXWUHKLSA-N 0 0 310.401 2.205 10 30 DEEERN C#CCCCS(=O)(=O)N[C@@H](CC(=O)OCC)c1ccccc1 ZINC000804969935 638630705 /nfs/dbraw/zinc/63/07/05/638630705.db2.gz KRTOHMDVSIOCIW-HNNXBMFYSA-N 0 0 323.414 2.014 10 30 DEEERN C[C@@H](OC(=O)Cc1cccc(C#N)c1)C(=O)N1CCCCCC1 ZINC000750433767 638745087 /nfs/dbraw/zinc/74/50/87/638745087.db2.gz HJLCKSCMHHLENN-CQSZACIVSA-N 0 0 314.385 2.435 10 30 DEEERN COCCN(CCC#N)C(=O)/C=C(\C)c1cccc(OC)c1 ZINC000751391494 639077949 /nfs/dbraw/zinc/07/79/49/639077949.db2.gz IIXSBAQNYDSINS-WYMLVPIESA-N 0 0 302.374 2.487 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)/C=C(\C)c1cccc(OC)c1 ZINC000751757859 639117693 /nfs/dbraw/zinc/11/76/93/639117693.db2.gz FZTLGEGKQBHVST-XSNHNAGMSA-N 0 0 303.358 2.332 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)NCC[C@H]1CCOC1 ZINC000752661618 639205877 /nfs/dbraw/zinc/20/58/77/639205877.db2.gz WGOLPPSZMXXRLM-LBPRGKRZSA-N 0 0 306.337 2.386 10 30 DEEERN C#CCCCS(=O)(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000805020103 639224064 /nfs/dbraw/zinc/22/40/64/639224064.db2.gz KNQDAFJULPHBGH-NSHDSACASA-N 0 0 301.358 2.401 10 30 DEEERN C=C(Br)CNC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000753001715 639246441 /nfs/dbraw/zinc/24/64/41/639246441.db2.gz ZHIATJCOWUFSDE-UHFFFAOYSA-N 0 0 302.176 2.063 10 30 DEEERN C=C[C@](C)(CCOC)COC(=O)c1ccc2c(c1)nnn2C ZINC000191112973 639511667 /nfs/dbraw/zinc/51/16/67/639511667.db2.gz DWTKTLWTIRJKBU-MRXNPFEDSA-N 0 0 303.362 2.354 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)C(C)(C)C ZINC000805148858 639848796 /nfs/dbraw/zinc/84/87/96/639848796.db2.gz OEWJNVAOJWIOFF-CYBMUJFWSA-N 0 0 310.375 2.229 10 30 DEEERN N#Cc1cc(C(=O)N2CCO[C@H](C(F)F)C2)ccc1Cl ZINC000801007218 640535910 /nfs/dbraw/zinc/53/59/10/640535910.db2.gz OJDIINRMKMALKW-NSHDSACASA-N 0 0 300.692 2.318 10 30 DEEERN N#Cc1cc(Br)ccc1COC(=O)c1ccnnc1 ZINC000805514736 641917673 /nfs/dbraw/zinc/91/76/73/641917673.db2.gz CITAFQGVEJTWCT-UHFFFAOYSA-N 0 0 318.130 2.468 10 30 DEEERN C[C@](O)(C(=O)OCc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000805580488 642246441 /nfs/dbraw/zinc/24/64/41/642246441.db2.gz SHGHUVDXROELLB-OAHLLOKOSA-N 0 0 309.749 2.447 10 30 DEEERN CO[C@@H]1C[C@H](c2nnc(C)o2)N(Cc2cc(F)ccc2C#N)C1 ZINC000779896476 642555527 /nfs/dbraw/zinc/55/55/27/642555527.db2.gz PCBGIBBCUXUJIN-HUUCEWRRSA-N 0 0 316.336 2.351 10 30 DEEERN C#CCOc1ccccc1OC(=O)CO[C@H](C)c1nccn1C ZINC000805877024 643650024 /nfs/dbraw/zinc/65/00/24/643650024.db2.gz BKKDVQYQGTZEGU-CYBMUJFWSA-N 0 0 314.341 2.115 10 30 DEEERN C=C[C@@H](N[C@@H](C)c1ccc(N2CCCC2=O)cc1)C(=O)OC ZINC000800368747 645262884 /nfs/dbraw/zinc/26/28/84/645262884.db2.gz BMYSFLXPYKXMNO-SWLSCSKDSA-N 0 0 302.374 2.192 10 30 DEEERN C=CCCc1ccccc1NC(=O)NC[C@H](O)c1cnn(C)c1 ZINC000800576485 645289459 /nfs/dbraw/zinc/28/94/59/645289459.db2.gz MPEDTDGCEHFXJR-INIZCTEOSA-N 0 0 314.389 2.394 10 30 DEEERN Cc1onc(CC(=O)N[C@H]2Cc3ccc(Cl)cc3C2)c1C#N ZINC000800578693 645289735 /nfs/dbraw/zinc/28/97/35/645289735.db2.gz DKYILESIIOUZEC-ZDUSSCGKSA-N 0 0 315.760 2.334 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NCCOC1CCC1 ZINC000800613100 645292086 /nfs/dbraw/zinc/29/20/86/645292086.db2.gz WCZFMSNETQKTJD-UHFFFAOYSA-N 0 0 316.401 2.429 10 30 DEEERN C#CCN1CCN(c2nnc(CCC3CCCCC3)n2C)CC1 ZINC000800728766 645299487 /nfs/dbraw/zinc/29/94/87/645299487.db2.gz BWQIOQBMHXHKAO-UHFFFAOYSA-N 0 0 315.465 2.083 10 30 DEEERN C[C@@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccsc1 ZINC000801066169 645337422 /nfs/dbraw/zinc/33/74/22/645337422.db2.gz NVYABMYLNWPCRJ-BXUZGUMPSA-N 0 0 304.419 2.191 10 30 DEEERN C#Cc1ccc(C(=O)N2CCC[C@](CO)(c3ccccc3)C2)cn1 ZINC000801131346 645344359 /nfs/dbraw/zinc/34/43/59/645344359.db2.gz ASZVUJSNKYXQGC-FQEVSTJZSA-N 0 0 320.392 2.229 10 30 DEEERN COCCOc1cncc(C(=O)OCc2ccc(C#N)cc2)c1 ZINC000801476707 645401350 /nfs/dbraw/zinc/40/13/50/645401350.db2.gz QQOPQKGGVQOBLA-UHFFFAOYSA-N 0 0 312.325 2.335 10 30 DEEERN CC(C)(C)OC(=O)c1cnc(C(=O)OCC2(C#N)CCC2)cn1 ZINC000802151173 645489821 /nfs/dbraw/zinc/48/98/21/645489821.db2.gz OVORKYDYJQWSSG-UHFFFAOYSA-N 0 0 317.345 2.283 10 30 DEEERN CON(CC1CCOCC1)C(=O)NCC1CCC(C#N)CC1 ZINC000802314892 645516576 /nfs/dbraw/zinc/51/65/76/645516576.db2.gz LRTHZOBNQCLYJL-UHFFFAOYSA-N 0 0 309.410 2.316 10 30 DEEERN C=C(COC(=O)c1cc([N+](=O)[O-])cc(C)c1F)C(=O)OCC ZINC000803462707 645657325 /nfs/dbraw/zinc/65/73/25/645657325.db2.gz XMNTUJIOOAJKSY-UHFFFAOYSA-N 0 0 311.265 2.318 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000803698487 645681834 /nfs/dbraw/zinc/68/18/34/645681834.db2.gz SZWNBGSSYTWRLT-HUUCEWRRSA-N 0 0 311.381 2.458 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)Nc1cccnc1Cl ZINC000803698430 645681932 /nfs/dbraw/zinc/68/19/32/645681932.db2.gz QQCAYUYDDISJTC-LLVKDONJSA-N 0 0 318.760 2.268 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N(CC)Cc1ccccc1 ZINC000803701481 645682452 /nfs/dbraw/zinc/68/24/52/645682452.db2.gz UNPCKDCEKMEDKT-UHFFFAOYSA-N 0 0 311.381 2.241 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000803701410 645682483 /nfs/dbraw/zinc/68/24/83/645682483.db2.gz RJCMJZVSDPGPFJ-UHFFFAOYSA-N 0 0 301.298 2.309 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)Nc1ccccc1C(C)=O ZINC000803699866 645682841 /nfs/dbraw/zinc/68/28/41/645682841.db2.gz SNZLNSIDQYSPQS-UHFFFAOYSA-N 0 0 311.337 2.034 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](O)c1cccc(OC)c1 ZINC000804458201 645774126 /nfs/dbraw/zinc/77/41/26/645774126.db2.gz INWHIDSEGQMOLF-HKUYNNGSSA-N 0 0 323.392 2.479 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCOC[C@@H]1CCCO1 ZINC000804458772 645774322 /nfs/dbraw/zinc/77/43/22/645774322.db2.gz HHJMJDNSRBLEAG-MSOLQXFVSA-N 0 0 315.413 2.323 10 30 DEEERN C=CCOCCNC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C ZINC000804544772 645788703 /nfs/dbraw/zinc/78/87/03/645788703.db2.gz OZJNYSSDSDRTKK-DGCLKSJQSA-N 0 0 320.364 2.353 10 30 DEEERN C[C@@H](NC(=O)[C@H]1CCCC12OCCO2)c1ccc(C#N)cc1 ZINC000806424658 645829555 /nfs/dbraw/zinc/82/95/55/645829555.db2.gz SKDCLZRKRWLEKT-IUODEOHRSA-N 0 0 300.358 2.279 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1cccnc1N1CCCCC1 ZINC000806629670 645854759 /nfs/dbraw/zinc/85/47/59/645854759.db2.gz QBHWFKIQJUYDOE-UHFFFAOYSA-N 0 0 309.413 2.351 10 30 DEEERN C#CCC(CC#C)C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000806765400 645868836 /nfs/dbraw/zinc/86/88/36/645868836.db2.gz YTSGPDFWMLICBD-UHFFFAOYSA-N 0 0 318.417 2.165 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@H](C(=O)OCC)c1ccccc1 ZINC000806936344 645892307 /nfs/dbraw/zinc/89/23/07/645892307.db2.gz XVIBAHRCIRWEQN-QGZVFWFLSA-N 0 0 311.381 2.112 10 30 DEEERN C#Cc1cncc(C(=O)NC[C@@H](C(=O)OCC)c2ccccc2)c1 ZINC000806935967 645893042 /nfs/dbraw/zinc/89/30/42/645893042.db2.gz MNZJOWWJTWFRMM-QGZVFWFLSA-N 0 0 322.364 2.140 10 30 DEEERN C#Cc1cncc(C(=O)N2CCO[C@@H](c3cccc(OC)c3)C2)c1 ZINC000807091520 645911114 /nfs/dbraw/zinc/91/11/14/645911114.db2.gz MIZQHUGCKLFRFV-GOSISDBHSA-N 0 0 322.364 2.285 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC(CCC(=O)OCC)CC1 ZINC000807129889 645914060 /nfs/dbraw/zinc/91/40/60/645914060.db2.gz OXZJUMFUBQOLLC-UHFFFAOYSA-N 0 0 303.402 2.231 10 30 DEEERN C#Cc1cncc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000807163424 645917502 /nfs/dbraw/zinc/91/75/02/645917502.db2.gz PKAJNPFJVPTHHJ-UHFFFAOYSA-N 0 0 307.309 2.170 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cccc(N2C(=S)N=NC2C)c1 ZINC000807170964 645918442 /nfs/dbraw/zinc/91/84/42/645918442.db2.gz HKLDXGASRDPBIV-UHFFFAOYSA-N 0 0 324.409 2.466 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cccc(N2CCNC2=O)c1C ZINC000807434389 645949987 /nfs/dbraw/zinc/94/99/87/645949987.db2.gz KUEYAXGOWPVOAE-UHFFFAOYSA-N 0 0 309.369 2.126 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCOC[C@@H]1CC ZINC000807469213 645954697 /nfs/dbraw/zinc/95/46/97/645954697.db2.gz FMOCXCGEODTLOK-SJORKVTESA-N 0 0 300.402 2.441 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC1(COC)CCC1 ZINC000807471185 645955475 /nfs/dbraw/zinc/95/54/75/645955475.db2.gz ZHIIKRRXCKRWKT-MRXNPFEDSA-N 0 0 300.402 2.489 10 30 DEEERN Cc1nnc([C@@H](C)OC(=O)[C@H](C)Oc2ccccc2C#N)o1 ZINC000062277123 646721499 /nfs/dbraw/zinc/72/14/99/646721499.db2.gz QXCPZHHSKCDEFC-ZJUUUORDSA-N 0 0 301.302 2.321 10 30 DEEERN N#Cc1ccc(OCCNC(=O)Nn2cnc3ccccc32)cc1 ZINC000174596579 646815921 /nfs/dbraw/zinc/81/59/21/646815921.db2.gz OEJPLSSGHOTTPC-UHFFFAOYSA-N 0 0 321.340 2.240 10 30 DEEERN C#C[C@H](OC(=O)[C@@H]1CSCN1C(=O)/C(C)=C\CC)C1CC1 ZINC000152498240 647178605 /nfs/dbraw/zinc/17/86/05/647178605.db2.gz CHCFSCSWZDNVOY-BJLYVFBQSA-N 0 0 307.415 2.199 10 30 DEEERN C#C[C@H](OC(=O)[C@H]1CSCN1C(=O)C1CCCC1)C1CC1 ZINC000152655574 647244168 /nfs/dbraw/zinc/24/41/68/647244168.db2.gz XQZYDOWYWXINBQ-KGLIPLIRSA-N 0 0 307.415 2.033 10 30 DEEERN C=CCC[C@@H](C)OC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000089318385 647259665 /nfs/dbraw/zinc/25/96/65/647259665.db2.gz PEOQPDBJYITYGD-SNVBAGLBSA-N 0 0 301.364 2.041 10 30 DEEERN C#CCN(C1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000153095451 647349317 /nfs/dbraw/zinc/34/93/17/647349317.db2.gz UACTZOSTFCWQPT-UHFFFAOYSA-N 0 0 322.386 2.470 10 30 DEEERN C#CCSCCNC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000153394714 647444617 /nfs/dbraw/zinc/44/46/17/647444617.db2.gz NWMDXYJIXDTSNY-LBPRGKRZSA-N 0 0 320.414 2.184 10 30 DEEERN C=CCCOCC(=O)O[C@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000731297014 647465849 /nfs/dbraw/zinc/46/58/49/647465849.db2.gz ONETZMNJMDYNRS-HNNXBMFYSA-N 0 0 319.405 2.198 10 30 DEEERN C=C(C)CCOC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000174803374 647578216 /nfs/dbraw/zinc/57/82/16/647578216.db2.gz JABSKFOFXUWZKL-UHFFFAOYSA-N 0 0 309.387 2.250 10 30 DEEERN COc1ccccc1NC(=S)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732625446 647633023 /nfs/dbraw/zinc/63/30/23/647633023.db2.gz IOJPSMZRUUEVKT-CYBMUJFWSA-N 0 0 316.430 2.064 10 30 DEEERN Cc1ccc2c(CC(=O)N3CCN(C4CC4)[C@H](C#N)C3)c[nH]c2c1 ZINC000732650835 647635901 /nfs/dbraw/zinc/63/59/01/647635901.db2.gz IYNMDGGUZWSELJ-MRXNPFEDSA-N 0 0 322.412 2.218 10 30 DEEERN CC(C)(C)c1nc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cs1 ZINC000732647862 647636025 /nfs/dbraw/zinc/63/60/25/647636025.db2.gz LWBWZTVSGJEBRU-GFCCVEGCSA-N 0 0 318.446 2.253 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2csc3c2CCCC3)CCN1C1CC1 ZINC000732664569 647637167 /nfs/dbraw/zinc/63/71/67/647637167.db2.gz RDIGTTQAOBBOOO-CYBMUJFWSA-N 0 0 315.442 2.439 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2ccc(C(F)F)cc2)CCN1C1CC1 ZINC000732651530 647637495 /nfs/dbraw/zinc/63/74/95/647637495.db2.gz BUFKUJJTFMCKEH-CQSZACIVSA-N 0 0 305.328 2.437 10 30 DEEERN N#C[C@@H]1CN(C(=O)CCSc2ccccc2)CCN1C1CC1 ZINC000732651605 647637550 /nfs/dbraw/zinc/63/75/50/647637550.db2.gz DJTYWKSOSQSSNB-OAHLLOKOSA-N 0 0 315.442 2.368 10 30 DEEERN C#CCCCCC(=O)Nc1cccnc1N1CCC(CO)CC1 ZINC000179849666 648426984 /nfs/dbraw/zinc/42/69/84/648426984.db2.gz MATPTMASPQXLGE-UHFFFAOYSA-N 0 0 315.417 2.422 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)nn1 ZINC000068281650 648438927 /nfs/dbraw/zinc/43/89/27/648438927.db2.gz HQJZRGKJQVXDDG-SECBINFHSA-N 0 0 302.721 2.408 10 30 DEEERN COC(=O)N[C@H](CC(C)C)C(=O)[C@H](C#N)c1nc(C)cs1 ZINC000068335904 648445712 /nfs/dbraw/zinc/44/57/12/648445712.db2.gz USXLDWGRMVPRQL-WDEREUQCSA-N 0 0 309.391 2.399 10 30 DEEERN C=C(C)CN(C)C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 ZINC000183059078 649034608 /nfs/dbraw/zinc/03/46/08/649034608.db2.gz CHCLEXFBHMCYIQ-JXMROGBWSA-N 0 0 308.403 2.106 10 30 DEEERN C=CCc1cc(OC)cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1O ZINC000184269884 649252454 /nfs/dbraw/zinc/25/24/54/649252454.db2.gz PXSXSPWDLZHLJH-SFHVURJKSA-N 0 0 319.401 2.121 10 30 DEEERN C#CCCNC(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000733246950 649463196 /nfs/dbraw/zinc/46/31/96/649463196.db2.gz XAVYEDXRHVARSQ-GASCZTMLSA-N 0 0 300.402 2.049 10 30 DEEERN C#CCCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000733246165 649463325 /nfs/dbraw/zinc/46/33/25/649463325.db2.gz HMUJLDDNWRQBKI-UHFFFAOYSA-N 0 0 316.235 2.289 10 30 DEEERN C#CCCNC(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC000733248054 649463886 /nfs/dbraw/zinc/46/38/86/649463886.db2.gz JLTZACOHFNWBFZ-UHFFFAOYSA-N 0 0 312.394 2.431 10 30 DEEERN N#Cc1ccc(CNC(=O)COc2ccc(C=O)cc2)c(F)c1 ZINC000733259926 649464908 /nfs/dbraw/zinc/46/49/08/649464908.db2.gz OTHOBRPQARHVEK-UHFFFAOYSA-N 0 0 312.300 2.205 10 30 DEEERN C#CCCNS(=O)(=O)c1c(C)cc(Br)cc1C ZINC000733321766 649542488 /nfs/dbraw/zinc/54/24/88/649542488.db2.gz KOOJDOBVFFOTNU-UHFFFAOYSA-N 0 0 316.220 2.368 10 30 DEEERN C#CCOc1ccc(NC(=O)C(=O)N2CCCC2(C)C)cc1 ZINC000108613543 651673028 /nfs/dbraw/zinc/67/30/28/651673028.db2.gz DMEZCRCLAXRRRV-UHFFFAOYSA-N 0 0 300.358 2.038 10 30 DEEERN CCc1cccc2c(CC(=O)[C@H](C#N)C(=O)NC3CC3)c[nH]c21 ZINC000109413267 651962704 /nfs/dbraw/zinc/96/27/04/651962704.db2.gz OTUMGSPTPHMIEA-HNNXBMFYSA-N 0 0 309.369 2.260 10 30 DEEERN C#CCN(CC#C)C(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000075391996 683936039 /nfs/dbraw/zinc/93/60/39/683936039.db2.gz DPBVHPDCZZKRPS-LBPRGKRZSA-N 0 0 320.186 2.311 10 30 DEEERN N#CCC1(COC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)CC1 ZINC000079168457 683970034 /nfs/dbraw/zinc/97/00/34/683970034.db2.gz SXVVXYXCVLKRIN-ZDUSSCGKSA-N 0 0 322.430 2.315 10 30 DEEERN COc1cccc(C#CCOC(=O)CCOC2CCOCC2)c1 ZINC000084695441 684005103 /nfs/dbraw/zinc/00/51/03/684005103.db2.gz FPTFOKOKHXXHDD-UHFFFAOYSA-N 0 0 318.369 2.176 10 30 DEEERN C#Cc1cccc(N(CC(=O)NC)C(=O)CSC(C)(C)C)c1 ZINC000122176200 684113717 /nfs/dbraw/zinc/11/37/17/684113717.db2.gz PUEUFBPPVBYDAY-UHFFFAOYSA-N 0 0 318.442 2.279 10 30 DEEERN C=CCn1nnn(CN2CCO[C@H](c3ccsc3)C2)c1=S ZINC000122191828 684113722 /nfs/dbraw/zinc/11/37/22/684113722.db2.gz AIQYKTKQWNHORV-LBPRGKRZSA-N 0 0 323.447 2.088 10 30 DEEERN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H](C)C(C)(C)C ZINC000123170397 684122630 /nfs/dbraw/zinc/12/26/30/684122630.db2.gz OLAJXGKNDCCRLC-VXGBXAGGSA-N 0 0 317.389 2.467 10 30 DEEERN CCCCc1ccc(N2C[C@@H](C(=O)N[C@H](C)C#N)CC2=O)cc1 ZINC000125394277 684145101 /nfs/dbraw/zinc/14/51/01/684145101.db2.gz DQXPBLUGVWIADW-HIFRSBDPSA-N 0 0 313.401 2.410 10 30 DEEERN Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cnn3c2CCCC3)c1 ZINC000125608541 684147163 /nfs/dbraw/zinc/14/71/63/684147163.db2.gz AXGHWEBVGFVGFI-CQSZACIVSA-N 0 0 322.368 2.489 10 30 DEEERN C=CCOc1ccccc1C(=O)OCC1CCS(=O)(=O)CC1 ZINC000129119457 684176473 /nfs/dbraw/zinc/17/64/73/684176473.db2.gz YMNNSCFNXLMQGK-UHFFFAOYSA-N 0 0 324.398 2.233 10 30 DEEERN COc1ccc([C@@H](O)CNC(=O)c2ccc(C#N)cc2C)cc1 ZINC000131863717 684203430 /nfs/dbraw/zinc/20/34/30/684203430.db2.gz LVABDAHOIPSDON-KRWDZBQOSA-N 0 0 310.353 2.339 10 30 DEEERN N#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000135296315 684234176 /nfs/dbraw/zinc/23/41/76/684234176.db2.gz JTIGYMUBTUQJAI-WCQYABFASA-N 0 0 321.352 2.401 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)c1ccsc1 ZINC000155558282 684275973 /nfs/dbraw/zinc/27/59/73/684275973.db2.gz RZVJKPLVRDGHSM-SMDDNHRTSA-N 0 0 316.382 2.237 10 30 DEEERN C[C@@H](OC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)C(C)(C)C#N ZINC000178811453 684333769 /nfs/dbraw/zinc/33/37/69/684333769.db2.gz PJJNJIVTITUDQY-KGLIPLIRSA-N 0 0 321.421 2.396 10 30 DEEERN C=CC[C@]1(C(=O)N[C@@H]2CCOC2)CCCN1C(=O)OC(C)(C)C ZINC000189715202 684387235 /nfs/dbraw/zinc/38/72/35/684387235.db2.gz QWFKGDDGXFYEOP-CXAGYDPISA-N 0 0 324.421 2.237 10 30 DEEERN CC(=O)Nc1cccc(C(=O)OCC2(C#N)CCOCC2)c1C ZINC000190847488 684415384 /nfs/dbraw/zinc/41/53/84/684415384.db2.gz JSBOESZXFKHBGS-UHFFFAOYSA-N 0 0 316.357 2.431 10 30 DEEERN C=C[C@@](C)(CCOC)COC(=O)c1cccc(-n2cnnn2)c1 ZINC000191103191 684421457 /nfs/dbraw/zinc/42/14/57/684421457.db2.gz QOIFKSQBTNYADB-INIZCTEOSA-N 0 0 316.361 2.048 10 30 DEEERN C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1nnnn1C1CC1 ZINC000191690876 684434909 /nfs/dbraw/zinc/43/49/09/684434909.db2.gz VLLBQOVSCOMNMJ-LLVKDONJSA-N 0 0 322.372 2.054 10 30 DEEERN C=C(Br)COC(=O)CCCNC(=O)C(C)(C)C ZINC000194028632 685055215 /nfs/dbraw/zinc/05/52/15/685055215.db2.gz XIUIYYMTVSVXMQ-UHFFFAOYSA-N 0 0 306.200 2.381 10 30 DEEERN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000248119536 685154743 /nfs/dbraw/zinc/15/47/43/685154743.db2.gz DQOZOSZOBMTRIP-LALPHHSUSA-N 0 0 316.357 2.300 10 30 DEEERN CC(C)(CNc1nc(Cl)c(C#N)s1)CS(C)(=O)=O ZINC000723878430 777198071 /nfs/dbraw/zinc/19/80/71/777198071.db2.gz BORRMKLZMVSOOH-UHFFFAOYSA-N 0 0 307.828 2.151 10 30 DEEERN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)O[C@@H](CC)CC#N ZINC000588558139 777415985 /nfs/dbraw/zinc/41/59/85/777415985.db2.gz ZGBDJMCXUMLVMT-BLJGWETHSA-N 0 0 310.419 2.480 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)C1(C(F)(F)F)CC1 ZINC000744924200 784635977 /nfs/dbraw/zinc/63/59/77/784635977.db2.gz NYIYLXTZFPZUCS-SNVBAGLBSA-N 0 0 305.296 2.461 10 30 DEEERN C#CCN(CC#CC)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000745339169 784711772 /nfs/dbraw/zinc/71/17/72/784711772.db2.gz JKADURSNMKXCOR-AWEZNQCLSA-N 0 0 314.385 2.433 10 30 DEEERN COc1ccc(CNC(=O)c2ccc(NC3CC3)nc2)cc1C#N ZINC000746924231 786544988 /nfs/dbraw/zinc/54/49/88/786544988.db2.gz VLUZTLZXEISLHJ-UHFFFAOYSA-N 0 0 322.368 2.466 10 30 DEEERN N#Cc1cc(F)c(NCC[C@H]2CCCS2(=O)=O)c(F)c1 ZINC000714326359 792307925 /nfs/dbraw/zinc/30/79/25/792307925.db2.gz AMBDTRWEKKLLAV-SNVBAGLBSA-N 0 0 300.330 2.216 10 30 DEEERN C#CC[C@H](COC)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000716356831 792954483 /nfs/dbraw/zinc/95/44/83/792954483.db2.gz CKSLKNDLDUIPMW-LLVKDONJSA-N 0 0 303.330 2.133 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2F)C1 ZINC000703637239 1086529656 /nfs/dbraw/zinc/52/96/56/1086529656.db2.gz RQGCWHNXGNMELD-VIFPVBQESA-N 0 0 304.774 2.461 10 30 DEEERN C#CC1(O)CCN(C(=O)c2cccc(C)c2Br)CC1 ZINC000708137644 1086676729 /nfs/dbraw/zinc/67/67/29/1086676729.db2.gz WEWYJPVIHQQSLG-UHFFFAOYSA-N 0 0 322.202 2.358 10 30 DEEERN C#CC1(O)CCN(C(=O)c2ccc(Br)c(C)c2)CC1 ZINC000708137965 1086677366 /nfs/dbraw/zinc/67/73/66/1086677366.db2.gz YPQSFFAZZPWRRZ-UHFFFAOYSA-N 0 0 322.202 2.358 10 30 DEEERN N#Cc1csc(CNCCOC(F)(F)C(F)(F)F)n1 ZINC000720341927 1088286454 /nfs/dbraw/zinc/28/64/54/1088286454.db2.gz QNYWRXZCZLBPQY-UHFFFAOYSA-N 0 0 301.240 2.276 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)NCC[C@H]2CCSC2)c1 ZINC000719996780 1089423181 /nfs/dbraw/zinc/42/31/81/1089423181.db2.gz BAHGOZAYQOYGER-JTQLQIEISA-N 0 0 314.407 2.119 10 30 DEEERN C=CCN(CC=C)C(=O)NCCNC(=O)OCc1ccccc1 ZINC000586438371 1144380851 /nfs/dbraw/zinc/38/08/51/1144380851.db2.gz ZUUGUEWBRSBOAV-UHFFFAOYSA-N 0 0 317.389 2.296 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000278352148 214109170 /nfs/dbraw/zinc/10/91/70/214109170.db2.gz XKYHYBRZEFNKOF-ZIAGYGMSSA-N 0 0 309.387 2.010 10 30 DEEERN C=CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](CCF)C1 ZINC000624827388 365562174 /nfs/dbraw/zinc/56/21/74/365562174.db2.gz ICVZVPXOXUDTIM-KGLIPLIRSA-N 0 0 324.400 2.271 10 30 DEEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CCC[C@H](COC)CC1 ZINC000624847665 365569675 /nfs/dbraw/zinc/56/96/75/365569675.db2.gz RSSHIVGBCHYIHK-ZDUSSCGKSA-N 0 0 316.409 2.107 10 30 DEEERN C=CCn1c(Cc2ccsc2)nnc1N1CC2(C1)CCCO2 ZINC000624834427 365565311 /nfs/dbraw/zinc/56/53/11/365565311.db2.gz TUPOXRJMJUZNJQ-UHFFFAOYSA-N 0 0 316.430 2.486 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(Cc2ccccc2C)C1 ZINC000612123565 361751804 /nfs/dbraw/zinc/75/18/04/361751804.db2.gz ZJHLFSHBNUHWJR-SFHVURJKSA-N 0 0 314.429 2.467 10 30 DEEERN C=C(C)Cn1c(N(C)CC2(C)COC2)nnc1[C@]1(C)CCCO1 ZINC000624972683 365603269 /nfs/dbraw/zinc/60/32/69/365603269.db2.gz BLEGGDMTCVDYEZ-KRWDZBQOSA-N 0 0 320.437 2.353 10 30 DEEERN C=C(C)Cn1c(CC2CC2)nnc1N1CCO[C@](C)(COC)C1 ZINC000624977779 365605515 /nfs/dbraw/zinc/60/55/15/365605515.db2.gz JFRXEBHMDCYMLI-KRWDZBQOSA-N 0 0 320.437 2.048 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCCOCc1ccc(Cl)cc1 ZINC000152340159 282141972 /nfs/dbraw/zinc/14/19/72/282141972.db2.gz WRABCQZTMLDZEW-UHFFFAOYSA-N 0 0 317.776 2.497 10 30 DEEERN Cn1nc(CNC(=O)Cc2cccc(C#N)c2)c2ccccc21 ZINC000612706150 361897666 /nfs/dbraw/zinc/89/76/66/361897666.db2.gz SDTSAQWHQFAOJQ-UHFFFAOYSA-N 0 0 304.353 2.304 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](CC)c1c(C)noc1C ZINC000613019069 361983715 /nfs/dbraw/zinc/98/37/15/361983715.db2.gz RFXUZNHZWUKTBK-ZIAGYGMSSA-N 0 0 307.394 2.330 10 30 DEEERN CCOC(=O)[C@@H](N)CCSCc1ccc(OC)c(C#N)c1 ZINC000087829552 185232464 /nfs/dbraw/zinc/23/24/64/185232464.db2.gz MXHIGTRBXVSTDG-ZDUSSCGKSA-N 0 0 308.403 2.081 10 30 DEEERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(CC#N)c1 ZINC000088198134 185241636 /nfs/dbraw/zinc/24/16/36/185241636.db2.gz PBUUAZMZKYVOEH-CQSZACIVSA-N 0 0 309.373 2.171 10 30 DEEERN C[C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(C#N)cc1N ZINC000088507339 185254476 /nfs/dbraw/zinc/25/44/76/185254476.db2.gz JXPAGTKSYNMHNZ-SMDDNHRTSA-N 0 0 307.419 2.388 10 30 DEEERN C=CCCCNC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000279038974 214591999 /nfs/dbraw/zinc/59/19/99/214591999.db2.gz ADKXOCHZBSYEPB-HNNXBMFYSA-N 0 0 319.380 2.192 10 30 DEEERN C=CCN(C)S(=O)(=O)c1cc(Cl)cc(CO)c1Cl ZINC000166004507 197685339 /nfs/dbraw/zinc/68/53/39/197685339.db2.gz LMHODOVBCLBWSF-UHFFFAOYSA-N 0 0 310.202 2.292 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(NC(=O)NCC)ccc1C ZINC000279051761 214600083 /nfs/dbraw/zinc/60/00/83/214600083.db2.gz YONDBFHSESWRMG-ZDUSSCGKSA-N 0 0 320.393 2.195 10 30 DEEERN C=CC[C@@H]1CCCN(S(=O)(=O)C[C@H](OCC)C2CC2)C1 ZINC000625278034 365710240 /nfs/dbraw/zinc/71/02/40/365710240.db2.gz KKGHJMYYIJHXFG-HIFRSBDPSA-N 0 0 301.452 2.419 10 30 DEEERN C=CCOCCNC(=O)c1cc(C)n(C2CCOCC2)c1C ZINC000613365106 362091896 /nfs/dbraw/zinc/09/18/96/362091896.db2.gz TZSXCIYBDXCKCU-UHFFFAOYSA-N 0 0 306.406 2.389 10 30 DEEERN O=C(NCC#CCOc1ccc(F)cc1F)c1ccccn1 ZINC000090732574 185311675 /nfs/dbraw/zinc/31/16/75/185311675.db2.gz STMKPORROFFZTD-UHFFFAOYSA-N 0 0 302.280 2.172 10 30 DEEERN O=C(NCC#CCOc1ccc(F)cc1F)c1ccncc1 ZINC000090732570 185311741 /nfs/dbraw/zinc/31/17/41/185311741.db2.gz UJOAYYRPKFQNDZ-UHFFFAOYSA-N 0 0 302.280 2.172 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](C)c1nc(C)cs1 ZINC000613482921 362125280 /nfs/dbraw/zinc/12/52/80/362125280.db2.gz XPLGILWMURUFAY-MFKMUULPSA-N 0 0 309.435 2.142 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000613552897 362145417 /nfs/dbraw/zinc/14/54/17/362145417.db2.gz PZPAVWZMEHLJJJ-RRFJBIMHSA-N 0 0 310.438 2.166 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCCC[C@@H](CCOC)C1 ZINC000613577167 362150834 /nfs/dbraw/zinc/15/08/34/362150834.db2.gz ODPNFNSBRQQAFO-HOTGVXAUSA-N 0 0 310.438 2.123 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc(CCOC)cc2)C1 ZINC000625351406 365742125 /nfs/dbraw/zinc/74/21/25/365742125.db2.gz WLSFQEFNVVDJFY-HNNXBMFYSA-N 0 0 309.431 2.462 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000625349906 365742555 /nfs/dbraw/zinc/74/25/55/365742555.db2.gz GNDOLULNEZYCOP-CYBMUJFWSA-N 0 0 323.414 2.435 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cncc(OC(C)C)c2)C1 ZINC000625353653 365743245 /nfs/dbraw/zinc/74/32/45/365743245.db2.gz FBMJHJVYOOLQBX-CYBMUJFWSA-N 0 0 310.419 2.456 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)CC3)C1 ZINC000625354180 365743690 /nfs/dbraw/zinc/74/36/90/365743690.db2.gz HTSHNTAFMUHUNT-LBPRGKRZSA-N 0 0 305.399 2.402 10 30 DEEERN COC(=O)[C@@H]1CCCN1c1cccc(Br)c1C#N ZINC000168473696 197724099 /nfs/dbraw/zinc/72/40/99/197724099.db2.gz IWJVQEOELFGMEI-LBPRGKRZSA-N 0 0 309.163 2.463 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000625414213 365772471 /nfs/dbraw/zinc/77/24/71/365772471.db2.gz KKBKRCMZOXYKLH-CQSZACIVSA-N 0 0 303.406 2.397 10 30 DEEERN CN(C1(C#N)CCC1)S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000192621501 529820827 /nfs/dbraw/zinc/82/08/27/529820827.db2.gz MWOOOZRNWZMBOD-UHFFFAOYSA-N 0 0 320.414 2.467 10 30 DEEERN CN(CC#N)S(=O)(=O)c1c(Cl)cccc1Br ZINC000304230149 529824808 /nfs/dbraw/zinc/82/48/08/529824808.db2.gz AOKVBFBCKXDWJB-UHFFFAOYSA-N 0 0 323.599 2.247 10 30 DEEERN C=CCNC(=O)[C@H]1CC(=O)N(c2ccc3sc(C)nc3c2)C1 ZINC000170564241 197779784 /nfs/dbraw/zinc/77/97/84/197779784.db2.gz HXSMOORJRPKNKH-NSHDSACASA-N 0 0 315.398 2.260 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(F)(c2ccccc2F)C1 ZINC000615187188 362553571 /nfs/dbraw/zinc/55/35/71/362553571.db2.gz ORARWVQUBGLIGN-OAHLLOKOSA-N 0 0 322.355 2.304 10 30 DEEERN C=CCC1(C(=O)N2CC(CN3CCOCC3)C2)CCCCC1 ZINC000615147486 362546610 /nfs/dbraw/zinc/54/66/10/362546610.db2.gz GMIZDNALHAUJLN-UHFFFAOYSA-N 0 0 306.450 2.304 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H](c2ccccn2)C1 ZINC000615250873 362566406 /nfs/dbraw/zinc/56/64/06/362566406.db2.gz MMTUVSLSDHIDGD-RDJZCZTQSA-N 0 0 315.417 2.259 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CSc2ccccc21 ZINC000615457887 362611019 /nfs/dbraw/zinc/61/10/19/362611019.db2.gz DSUDTBQTTKOXIU-DZGCQCFKSA-N 0 0 318.442 2.463 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000135256739 539514345 /nfs/dbraw/zinc/51/43/45/539514345.db2.gz CIJOEFCLPCUTRL-OAHLLOKOSA-N 0 0 307.438 2.385 10 30 DEEERN CO[C@H](C)[C@H](C)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000615668912 362676108 /nfs/dbraw/zinc/67/61/08/362676108.db2.gz GVEYBBIXTFFZOL-ZENOOKHLSA-N 0 0 301.390 2.067 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@](C)(OC)c1ccccc1 ZINC000615833183 362711752 /nfs/dbraw/zinc/71/17/52/362711752.db2.gz XMKQAZVIDGFWIK-WMZOPIPTSA-N 0 0 318.417 2.135 10 30 DEEERN C=CCOCCCC(=O)Nc1n[nH]c(C)c1Br ZINC000616006469 362750855 /nfs/dbraw/zinc/75/08/55/362750855.db2.gz JVNIYLOKKRERIV-UHFFFAOYSA-N 0 0 302.172 2.402 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)CCCc1cccnc1 ZINC000616210347 362797056 /nfs/dbraw/zinc/79/70/56/362797056.db2.gz PCTLIGOLGNSWOF-RHSMWYFYSA-N 0 0 317.433 2.380 10 30 DEEERN CCOC(=O)c1ccc(C#N)cc1I ZINC000616578449 362893755 /nfs/dbraw/zinc/89/37/55/362893755.db2.gz SMJNQYRHTOOMAM-UHFFFAOYSA-N 0 0 301.083 2.340 10 30 DEEERN O=C(Cc1ccc(F)cc1)NCc1ccc(C#CCO)s1 ZINC000071322471 190957872 /nfs/dbraw/zinc/95/78/72/190957872.db2.gz CBYBTEOEXBDWQL-UHFFFAOYSA-N 0 0 303.358 2.090 10 30 DEEERN C=C(C)[C@H](CC(=O)Nc1ccc(C(=O)N(C)C)cn1)OCC ZINC000279935986 215252111 /nfs/dbraw/zinc/25/21/11/215252111.db2.gz GPBRKAABRUUMKY-ZDUSSCGKSA-N 0 0 305.378 2.093 10 30 DEEERN Cc1ccc(C(=O)N2CCS[C@H](C)[C@@H]2C)c(C#CCO)c1 ZINC000133635006 186001468 /nfs/dbraw/zinc/00/14/68/186001468.db2.gz LFTULQNXZPRPPF-UONOGXRCSA-N 0 0 303.427 2.305 10 30 DEEERN CCn1cc(Cl)cc1C(=O)NCc1sccc1C#CCO ZINC000148551833 186044836 /nfs/dbraw/zinc/04/48/36/186044836.db2.gz KNKXJLQRXAEOPN-UHFFFAOYSA-N 0 0 322.817 2.497 10 30 DEEERN Cc1ccc(F)c(C(=O)NCc2sccc2C#CCO)c1 ZINC000148574084 186045207 /nfs/dbraw/zinc/04/52/07/186045207.db2.gz UNDKLOUSZJKLSQ-UHFFFAOYSA-N 0 0 303.358 2.469 10 30 DEEERN C=C1C(=O)O[C@H]2C[C@H](C)C([C@@H](CC(C)=O)OC(C)=O)=CC[C@H]12 ZINC000004098226 290900169 /nfs/dbraw/zinc/90/01/69/290900169.db2.gz DPSCQKGSAHTWSP-AKVMBCECSA-N 0 0 306.358 2.351 10 30 biogenic,in-vitro DEEERN C=C[C@@H](C)NS(=O)(=O)c1cc(N)c(F)cc1Br ZINC000159703007 186136491 /nfs/dbraw/zinc/13/64/91/186136491.db2.gz MYPFRLPJRKWPQH-ZCFIWIBFSA-N 0 0 323.187 2.023 10 30 DEEERN Cc1nc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)ccc1C#N ZINC000171295763 197913923 /nfs/dbraw/zinc/91/39/23/197913923.db2.gz FMYJKTGGUYKCOT-UHFFFAOYSA-N 0 0 304.313 2.299 10 30 DEEERN C#CCN(CCC)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1 ZINC000164467211 186159421 /nfs/dbraw/zinc/15/94/21/186159421.db2.gz XXBIVAJVGKONJU-UHFFFAOYSA-N 0 0 322.795 2.344 10 30 DEEERN COC(=O)[C@H]1CCN(Cc2cc(C#N)ccc2OC)C[C@H]1C ZINC000191835717 186261337 /nfs/dbraw/zinc/26/13/37/186261337.db2.gz DGFNGPINZWQJGA-DOMZBBRYSA-N 0 0 302.374 2.198 10 30 DEEERN Cn1cc([C@H]2CCCN2C(=O)NCc2ccc(C#N)cc2)cn1 ZINC000171458922 197934159 /nfs/dbraw/zinc/93/41/59/197934159.db2.gz HGZFYAFMACRGAH-MRXNPFEDSA-N 0 0 309.373 2.338 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CCCN1C(=O)CCC1=O ZINC000617037237 363006988 /nfs/dbraw/zinc/00/69/88/363006988.db2.gz JWHGWOUDWCELQX-UONOGXRCSA-N 0 0 306.406 2.167 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OCC(N)=O)cc1 ZINC000617035323 363007025 /nfs/dbraw/zinc/00/70/25/363007025.db2.gz KJWXWPUBAJOVSQ-CZUORRHYSA-N 0 0 316.401 2.415 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000617040882 363007036 /nfs/dbraw/zinc/00/70/36/363007036.db2.gz ZUPJTBXXYNATIY-AAEUAGOBSA-N 0 0 300.362 2.300 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000617043765 363008129 /nfs/dbraw/zinc/00/81/29/363008129.db2.gz DRVYCJHOWIBPBV-ZIAGYGMSSA-N 0 0 317.433 2.388 10 30 DEEERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C#N)c1ccccc1Cl ZINC000172142639 198046742 /nfs/dbraw/zinc/04/67/42/198046742.db2.gz SWLHSUZETQGZFR-ZIAGYGMSSA-N 0 0 305.765 2.032 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@H](CO)C2CCC2)c(OC)c1 ZINC000617298124 363081880 /nfs/dbraw/zinc/08/18/80/363081880.db2.gz KJSZWXYOCVRFRN-OAHLLOKOSA-N 0 0 319.401 2.080 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N[C@@H](CO)C1CCC1 ZINC000617309703 363086349 /nfs/dbraw/zinc/08/63/49/363086349.db2.gz HPTZQPXWNJPMFX-HNNXBMFYSA-N 0 0 305.374 2.151 10 30 DEEERN C[C@@H](CO)[C@@H](C)NC(=O)NCCSCc1ccccc1C#N ZINC000172595617 198120876 /nfs/dbraw/zinc/12/08/76/198120876.db2.gz QLPFXVQQDUGXEK-QWHCGFSZSA-N 0 0 321.446 2.108 10 30 DEEERN C=CCCC1(CNC(=O)CNC(=O)c2ccccn2)CCCC1 ZINC000617416986 363127340 /nfs/dbraw/zinc/12/73/40/363127340.db2.gz GWFDDPXFJWBYJL-UHFFFAOYSA-N 0 0 315.417 2.454 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC(C)(C)C(O)(CC)CC ZINC000617514019 363164558 /nfs/dbraw/zinc/16/45/58/363164558.db2.gz IDHLBPJRKQJEGE-AWEZNQCLSA-N 0 0 312.454 2.151 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCCN(C)C1=O ZINC000294578759 539844106 /nfs/dbraw/zinc/84/41/06/539844106.db2.gz UXPNHNMFBIHVHF-INIZCTEOSA-N 0 0 316.401 2.078 10 30 DEEERN Cc1c([C@H]2OCC[C@@H]2Nc2ccc(Cl)c(C#N)n2)cnn1C ZINC000328612927 539908689 /nfs/dbraw/zinc/90/86/89/539908689.db2.gz QDBMUKIPJIQBRP-SWLSCSKDSA-N 0 0 317.780 2.591 10 30 DEEERN Cc1ccn2cc(CNC(=O)N3CC4(C3)CCCOC4)nc2c1 ZINC000329243313 539916059 /nfs/dbraw/zinc/91/60/59/539916059.db2.gz OYBBUPSVWSNAKL-UHFFFAOYSA-N 0 0 314.389 2.169 10 30 DEEERN CCn1nc(C(=O)NC[C@@H]2CCCCO2)c(=O)c2ccccc21 ZINC000329573064 539923166 /nfs/dbraw/zinc/92/31/66/539923166.db2.gz RELPOAZYUJKYNV-LBPRGKRZSA-N 0 0 315.373 2.290 10 30 DEEERN Cn1cc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c(C2CC2)n1 ZINC000329622110 539924384 /nfs/dbraw/zinc/92/43/84/539924384.db2.gz NGCSNNUYVVOTJC-SUMWQHHRSA-N 0 0 318.421 2.470 10 30 DEEERN C=CCN(C(=O)c1cnn(-c2ccccc2)c1N)[C@H](C)COC ZINC000617583095 363196261 /nfs/dbraw/zinc/19/62/61/363196261.db2.gz ALLTUPRELJABAN-CYBMUJFWSA-N 0 0 314.389 2.118 10 30 DEEERN Cn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)N[C@@H]1CC[C@H](F)C1 ZINC000329717509 539928075 /nfs/dbraw/zinc/92/80/75/539928075.db2.gz XRSPCXZOYGKFLC-RNJOBUHISA-N 0 0 310.373 2.034 10 30 DEEERN N#Cc1c2c(sc1NC(=O)c1cc(N)n[nH]1)CCCCC2 ZINC000080636587 192177591 /nfs/dbraw/zinc/17/75/91/192177591.db2.gz SPILIOXCXUSDKW-UHFFFAOYSA-N 0 0 301.375 2.446 10 30 DEEERN C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(N)cc2C#N)C[C@@H]1C ZINC000085040033 192479245 /nfs/dbraw/zinc/47/92/45/192479245.db2.gz SISGOHRATBOMIY-MJVIPROJSA-N 0 0 307.419 2.243 10 30 DEEERN COc1ccc(CNC(=O)c2cc(C#N)c[nH]2)cc1OC(F)F ZINC000175276270 198455141 /nfs/dbraw/zinc/45/51/41/198455141.db2.gz QJCZLGZTKLNFCK-UHFFFAOYSA-N 0 0 321.283 2.426 10 30 DEEERN C=C(C)COc1cccc(NC(=O)N2CCC[C@H]2C(=O)NC)c1 ZINC000176351105 198577631 /nfs/dbraw/zinc/57/76/31/198577631.db2.gz DBPWVCHICSAXHT-HNNXBMFYSA-N 0 0 317.389 2.384 10 30 DEEERN C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@@]43C)[C@]1(O)CCC2=O ZINC000003922018 181057863 /nfs/dbraw/zinc/05/78/63/181057863.db2.gz UKVVNEHFNYKGMX-KIVPVIKRSA-N 0 0 316.397 2.381 10 30 DEEERN C=CCC[C@H](C(=O)NCc1nc(COC)n[nH]1)c1ccccc1 ZINC000617935417 363321171 /nfs/dbraw/zinc/32/11/71/363321171.db2.gz AAKXSQYUWGCISE-AWEZNQCLSA-N 0 0 314.389 2.317 10 30 DEEERN C=CCOc1ccccc1C(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000032426243 354148598 /nfs/dbraw/zinc/14/85/98/354148598.db2.gz ONTSEEIOPRRYEP-UHFFFAOYSA-N 0 0 312.369 2.487 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@H]2C[C@H](OCC)C2)c(OC)c1 ZINC000617962471 363331471 /nfs/dbraw/zinc/33/14/71/363331471.db2.gz CXMGABJWBYDACD-SHTZXODSSA-N 0 0 319.401 2.486 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc(OCCC(N)=O)cc2)C1 ZINC000626375350 366165224 /nfs/dbraw/zinc/16/52/24/366165224.db2.gz PZCISDWMJFMEAX-CYBMUJFWSA-N 0 0 317.389 2.371 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1 ZINC000626402599 366175131 /nfs/dbraw/zinc/17/51/31/366175131.db2.gz HYLGNGZIOAPWHI-HIFRSBDPSA-N 0 0 304.394 2.492 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)C1 ZINC000626415878 366178333 /nfs/dbraw/zinc/17/83/33/366178333.db2.gz YFCVIVIHUYKMBN-LBPRGKRZSA-N 0 0 315.373 2.472 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NCc1cc(OC)c(O)c(OC)c1 ZINC000067593119 354769292 /nfs/dbraw/zinc/76/92/92/354769292.db2.gz HCMKTUGDASIDLJ-NSHDSACASA-N 0 0 309.362 2.007 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(C(=O)OC)cn1 ZINC000069468029 354864981 /nfs/dbraw/zinc/86/49/81/354864981.db2.gz TXRNQKDKVCETSD-UHFFFAOYSA-N 0 0 302.252 2.059 10 30 DEEERN N#CCNc1ncnc2ccc(I)cc21 ZINC000302778527 283053610 /nfs/dbraw/zinc/05/36/10/283053610.db2.gz QEUXOQSNVVYSOS-UHFFFAOYSA-N 0 0 310.098 2.170 10 30 DEEERN C=CCOc1ccc(CC(=O)N2C[C@H](C)C(O)[C@@H](C)C2)cc1 ZINC000618277925 363444687 /nfs/dbraw/zinc/44/46/87/363444687.db2.gz SDLJQMQGUXMQKH-KBPBESRZSA-N 0 0 303.402 2.269 10 30 DEEERN C=CCOCCNC(=O)NCC1(C(=O)OC(C)(C)C)CCC1 ZINC000595582190 358492617 /nfs/dbraw/zinc/49/26/17/358492617.db2.gz RXANJHFBRWRTON-UHFFFAOYSA-N 0 0 312.410 2.000 10 30 DEEERN C=CCOCCNC(=O)c1ccc(OC)c(Br)c1 ZINC000385476240 540126610 /nfs/dbraw/zinc/12/66/10/540126610.db2.gz MILWFYMHHBEBKI-UHFFFAOYSA-N 0 0 314.179 2.390 10 30 DEEERN Cn1c2ccc(C(=O)Nc3cccc(C#N)c3)cc2n(C)c1=O ZINC000074956665 191396074 /nfs/dbraw/zinc/39/60/74/191396074.db2.gz ITCYZYUCMJQQQV-UHFFFAOYSA-N 0 0 306.325 2.001 10 30 DEEERN N#Cc1ccc(NC(=O)Cc2ccc3c(c2)NC(=O)CCO3)cc1 ZINC000074966888 191397696 /nfs/dbraw/zinc/39/76/96/191397696.db2.gz PRLYIGDVNFOGEF-UHFFFAOYSA-N 0 0 321.336 2.460 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccnn1C ZINC000080336285 355358035 /nfs/dbraw/zinc/35/80/35/355358035.db2.gz YJBICNQOLRHIHU-MRXNPFEDSA-N 0 0 312.373 2.012 10 30 DEEERN C[C@@H](c1cccc(F)c1)N1CCN(c2nccnc2C#N)CC1 ZINC000092191441 355620761 /nfs/dbraw/zinc/62/07/61/355620761.db2.gz NKHLRIZAVYYLAX-ZDUSSCGKSA-N 0 0 311.364 2.371 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1c(F)cccc1OC ZINC000179906590 356037494 /nfs/dbraw/zinc/03/74/94/356037494.db2.gz UOONLSLDGTULJG-QWHCGFSZSA-N 0 0 321.396 2.493 10 30 DEEERN CC(=O)c1ccc(NC(=O)N2CCO[C@H](C#N)C2)cc1Cl ZINC000182495954 356128982 /nfs/dbraw/zinc/12/89/82/356128982.db2.gz LHMNVAULKJOPBU-LLVKDONJSA-N 0 0 307.737 2.299 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccc(OC2CCCC2)nc1 ZINC000182973404 356154992 /nfs/dbraw/zinc/15/49/92/356154992.db2.gz ITLUPKVNIDABSK-CQSZACIVSA-N 0 0 319.405 2.139 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCOCc1ccc(Cl)cc1 ZINC000183790129 356180064 /nfs/dbraw/zinc/18/00/64/356180064.db2.gz PQERDTRENUHCTI-AWEZNQCLSA-N 0 0 312.797 2.093 10 30 DEEERN C[C@@H](C#N)CNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000182867788 356149403 /nfs/dbraw/zinc/14/94/03/356149403.db2.gz JVSBIWDKCLZYOW-WCQYABFASA-N 0 0 301.346 2.421 10 30 DEEERN CNC(=NN)c1cc(Br)sc1Br ZINC000234514113 356287557 /nfs/dbraw/zinc/28/75/57/356287557.db2.gz FSSIDKLNSZLWPI-UHFFFAOYSA-N 0 0 313.018 2.113 10 30 DEEERN CC(C)(C)OC(=O)NCc1cccc(COS(C)(=O)=O)c1 ZINC000238177026 356303156 /nfs/dbraw/zinc/30/31/56/356303156.db2.gz VMOJKXFYYTUSAI-UHFFFAOYSA-N 0 0 315.391 2.188 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000080977652 192208022 /nfs/dbraw/zinc/20/80/22/192208022.db2.gz WSPMPZDPNBYMOM-UHFFFAOYSA-N 0 0 308.341 2.041 10 30 DEEERN C=CCNC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC000292977818 356387260 /nfs/dbraw/zinc/38/72/60/356387260.db2.gz RJMMCHBWKGEXOV-UONOGXRCSA-N 0 0 322.792 2.424 10 30 DEEERN Cc1nnc([C@@H]2CN(C(=O)Nc3cc(C)cc(C)n3)CCO2)o1 ZINC000328628344 356464262 /nfs/dbraw/zinc/46/42/62/356464262.db2.gz NQLXCSDEHITQDD-LBPRGKRZSA-N 0 0 317.349 2.009 10 30 DEEERN N#Cc1ccc(F)c(CN2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000408043692 283165767 /nfs/dbraw/zinc/16/57/67/283165767.db2.gz LABIZOYSCGIWPE-NXHRZFHOSA-N 0 0 318.392 2.449 10 30 DEEERN C[C@H](Cc1ccco1)NS(=O)(=O)c1ccc(CC#N)cc1 ZINC000081300227 192248409 /nfs/dbraw/zinc/24/84/09/192248409.db2.gz ULTBDBMVYAXSGG-GFCCVEGCSA-N 0 0 304.371 2.255 10 30 DEEERN CN(C[C@@H]1CCn2ccnc2C1)C(=O)Nc1ccc(F)cn1 ZINC000328640085 356466040 /nfs/dbraw/zinc/46/60/40/356466040.db2.gz XDDCLBUQHRFQTM-LLVKDONJSA-N 0 0 303.341 2.157 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1cccc(C[S@](C)=O)c1 ZINC000081539131 192286252 /nfs/dbraw/zinc/28/62/52/192286252.db2.gz FMDIYOOXOIAMCC-OAQYLSRUSA-N 0 0 301.371 2.028 10 30 DEEERN C=CCNC(=O)Cc1noc(CCc2c[nH]c3ccc(C)cc23)n1 ZINC000350697381 356559801 /nfs/dbraw/zinc/55/98/01/356559801.db2.gz YUALPLAIGWPQJB-UHFFFAOYSA-N 0 0 324.384 2.489 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000618513555 363512737 /nfs/dbraw/zinc/51/27/37/363512737.db2.gz AJSAYJYCGAWELJ-UHFFFAOYSA-N 0 0 302.374 2.136 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000618513851 363512804 /nfs/dbraw/zinc/51/28/04/363512804.db2.gz FHPGKNCPTPHKHK-UHFFFAOYSA-N 0 0 304.268 2.129 10 30 DEEERN C=CCOCCCNC(=O)CCc1nnc(-c2ccccc2)o1 ZINC000618518045 363513559 /nfs/dbraw/zinc/51/35/59/363513559.db2.gz XZZRSIJJMPOGLK-UHFFFAOYSA-N 0 0 315.373 2.378 10 30 DEEERN C=CCOCCCNC(=O)Cc1ccccc1O[C@H]1CCOC1 ZINC000618516585 363513853 /nfs/dbraw/zinc/51/38/53/363513853.db2.gz QCTVUVJUTFDAFA-INIZCTEOSA-N 0 0 319.401 2.106 10 30 DEEERN C=CCOCCCNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 ZINC000618516878 363513941 /nfs/dbraw/zinc/51/39/41/363513941.db2.gz HKXAQPOPSFKTFA-UHFFFAOYSA-N 0 0 318.352 2.037 10 30 DEEERN C=CCOCCCNC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000618525371 363515457 /nfs/dbraw/zinc/51/54/57/363515457.db2.gz CSDSLPNJVCTQPZ-UHFFFAOYSA-N 0 0 321.327 2.473 10 30 DEEERN C=CCOCCCNC(=O)[C@H](C)Oc1cccc(C(C)=O)c1 ZINC000618522742 363515637 /nfs/dbraw/zinc/51/56/37/363515637.db2.gz SECWIGJUGLIADW-AWEZNQCLSA-N 0 0 305.374 2.365 10 30 DEEERN C=CCOCCCNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000618526091 363516923 /nfs/dbraw/zinc/51/69/23/363516923.db2.gz JXRKBZIHURCPHA-UHFFFAOYSA-N 0 0 305.300 2.158 10 30 DEEERN C=CCOCCCNC(=O)c1cn(-c2ccc(F)cc2C)nn1 ZINC000618526927 363517807 /nfs/dbraw/zinc/51/78/07/363517807.db2.gz UQQNHNZBFYZEBW-UHFFFAOYSA-N 0 0 318.352 2.037 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(NC(C)=O)c(F)c1 ZINC000578316316 356796935 /nfs/dbraw/zinc/79/69/35/356796935.db2.gz WKUZTUYKGPOCSG-WFASDCNBSA-N 0 0 306.337 2.105 10 30 DEEERN C=CCCNC(=O)NCC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000595652457 358512516 /nfs/dbraw/zinc/51/25/16/358512516.db2.gz DBOPJGBCWUMMAK-UHFFFAOYSA-N 0 0 312.410 2.000 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc2cnccc21 ZINC000578998961 356906101 /nfs/dbraw/zinc/90/61/01/356906101.db2.gz YANRWKKLYWUSPM-ZFWWWQNUSA-N 0 0 318.398 2.104 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@H]1COc2cc(OC)ccc21 ZINC000579828265 357037902 /nfs/dbraw/zinc/03/79/02/357037902.db2.gz MDTYJHKAEJMCNQ-ZENOOKHLSA-N 0 0 317.385 2.269 10 30 DEEERN C=CCNC(=O)Nc1ccc(NC[C@@H](O)C(F)(F)F)cc1 ZINC000581067206 357125157 /nfs/dbraw/zinc/12/51/57/357125157.db2.gz ZPJXFFOYLURZNZ-LLVKDONJSA-N 0 0 303.284 2.329 10 30 DEEERN Cc1ccc(-c2noc(Cn3ccn4ncc(C#N)c34)n2)cc1 ZINC000585815755 357361462 /nfs/dbraw/zinc/36/14/62/357361462.db2.gz BGJGAYJHWNDFGM-UHFFFAOYSA-N 0 0 304.313 2.414 10 30 DEEERN CC#CC[C@H](CO)NC(=O)NCc1ccc(F)cc1CSC ZINC000591980404 540259521 /nfs/dbraw/zinc/25/95/21/540259521.db2.gz CQKWZTAXYRSKOD-OAHLLOKOSA-N 0 0 324.421 2.262 10 30 DEEERN C=CCC[C@H](CO)NC(=O)Nc1cccc(C(=O)OC)c1C ZINC000590805304 357616231 /nfs/dbraw/zinc/61/62/31/357616231.db2.gz ZDBRMMIWXAZPSL-GFCCVEGCSA-N 0 0 306.362 2.230 10 30 DEEERN C=CCNc1ncc(C(=O)NCCCc2ccccn2)s1 ZINC000179069279 198977592 /nfs/dbraw/zinc/97/75/92/198977592.db2.gz JLOVYDLYEGIWJC-UHFFFAOYSA-N 0 0 302.403 2.499 10 30 DEEERN C=CCn1c([C@@H]2CCCS2)nnc1N(CCC#N)CCOC ZINC000591622367 357745288 /nfs/dbraw/zinc/74/52/88/357745288.db2.gz ULUUCGKAIAPWJS-ZDUSSCGKSA-N 0 0 321.450 2.399 10 30 DEEERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CCOc2cccc(C#N)c2)C1 ZINC000591653403 357748444 /nfs/dbraw/zinc/74/84/44/357748444.db2.gz NMZBTXZMFICEOL-CVEARBPZSA-N 0 0 312.373 2.122 10 30 DEEERN C=CCC1(C(=O)NC2CCC(C(=O)OC)CC2)CCOCC1 ZINC000591762517 357757306 /nfs/dbraw/zinc/75/73/06/357757306.db2.gz FVSFZPJGLPNVFU-UHFFFAOYSA-N 0 0 309.406 2.207 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C#N)cc1F ZINC000591857310 357769051 /nfs/dbraw/zinc/76/90/51/357769051.db2.gz XLNJHGYRNLWMLK-ZFWWWQNUSA-N 0 0 303.337 2.088 10 30 DEEERN C=CCOc1cccnc1C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592706386 357928308 /nfs/dbraw/zinc/92/83/08/357928308.db2.gz FEOKEEVIATVQGE-KYOSRNDESA-N 0 0 322.430 2.285 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)C(=O)OC(C)(C)C ZINC000592629088 357916048 /nfs/dbraw/zinc/91/60/48/357916048.db2.gz WPUGVTYFQUTADL-STQMWFEESA-N 0 0 311.422 2.452 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@@H]1C[C@@H](OCC)[C@H]1SC)OCC ZINC000592706436 357928545 /nfs/dbraw/zinc/92/85/45/357928545.db2.gz FUQOPSCIWITJRW-COMQUAJESA-N 0 0 301.452 2.383 10 30 DEEERN CC(=O)N1CCC[C@H]1C(=O)N(CC#N)c1ccc(Cl)cc1 ZINC000592649320 357920410 /nfs/dbraw/zinc/92/04/10/357920410.db2.gz CIKHWAVLFJIFSA-AWEZNQCLSA-N 0 0 305.765 2.207 10 30 DEEERN C=CCOCCNC(=O)Cc1ccc(Br)cc1C#N ZINC000593121343 358015870 /nfs/dbraw/zinc/01/58/70/358015870.db2.gz IREADGVTFFBZHQ-UHFFFAOYSA-N 0 0 323.190 2.182 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000593580510 358106056 /nfs/dbraw/zinc/10/60/56/358106056.db2.gz LIUQTUSGOBAJHX-HZSPNIEDSA-N 0 0 311.422 2.045 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000180219653 199132456 /nfs/dbraw/zinc/13/24/56/199132456.db2.gz KEXVWWUSDZFHFX-CYBMUJFWSA-N 0 0 303.406 2.472 10 30 DEEERN C=CCCn1cc(C[S@@](=O)Cc2noc(CCCC)n2)nn1 ZINC000593937309 358175080 /nfs/dbraw/zinc/17/50/80/358175080.db2.gz NYKZJDDFKBIUNT-JOCHJYFZSA-N 0 0 323.422 2.029 10 30 DEEERN C=CCCn1cc(CS[C@@H]2CCCN(C(C)C)C2=O)nn1 ZINC000594564879 358294765 /nfs/dbraw/zinc/29/47/65/358294765.db2.gz JTXSXOPUUHWKLG-CQSZACIVSA-N 0 0 308.451 2.487 10 30 DEEERN C=CCOCCCNC(=O)C(=O)Nc1cccc(CSC)c1 ZINC000595163747 358397438 /nfs/dbraw/zinc/39/74/38/358397438.db2.gz LYPNIKNYCXHCTN-UHFFFAOYSA-N 0 0 322.430 2.197 10 30 DEEERN C=CCOCCCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000595767609 358544393 /nfs/dbraw/zinc/54/43/93/358544393.db2.gz QMLJIAJVFBNYIZ-UHFFFAOYSA-N 0 0 321.377 2.371 10 30 DEEERN Cc1nnc([C@H]2CN(c3c(F)cc(C#N)cc3F)C[C@@H](C)O2)o1 ZINC000596505251 358701600 /nfs/dbraw/zinc/70/16/00/358701600.db2.gz RZNDRDMHPVGDQI-AMIZOPFISA-N 0 0 320.299 2.494 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000185319977 199837459 /nfs/dbraw/zinc/83/74/59/199837459.db2.gz ZAERWOAGDGNCFX-ZDUSSCGKSA-N 0 0 301.390 2.164 10 30 DEEERN C=CCN(C(=O)NCc1ccc(C#N)c(OC)c1)[C@H](C)COC ZINC000596605159 358723589 /nfs/dbraw/zinc/72/35/89/358723589.db2.gz PBBWSVNBTUOKNQ-CYBMUJFWSA-N 0 0 317.389 2.299 10 30 DEEERN C=CCn1c(Cc2ccccc2O)nnc1N(C)[C@@H](C)CC#N ZINC000597282036 358878114 /nfs/dbraw/zinc/87/81/14/358878114.db2.gz MLAKQLYKMAHDPX-ZDUSSCGKSA-N 0 0 311.389 2.499 10 30 DEEERN C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000627408830 366520355 /nfs/dbraw/zinc/52/03/55/366520355.db2.gz KWGSQYKFPPMXMM-GFCCVEGCSA-N 0 0 302.374 2.210 10 30 DEEERN CC#CCCCC(=O)N[C@H](C(=O)OC)c1cccc(OC)c1 ZINC000598019841 359067626 /nfs/dbraw/zinc/06/76/26/359067626.db2.gz HUJGELPJWOJAGT-INIZCTEOSA-N 0 0 303.358 2.219 10 30 DEEERN C=CCOCCCNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000598207566 359122819 /nfs/dbraw/zinc/12/28/19/359122819.db2.gz SZUBWQKFWVKWOX-UHFFFAOYSA-N 0 0 324.384 2.375 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000185982824 199912935 /nfs/dbraw/zinc/91/29/35/199912935.db2.gz CPFUUAUOOXAOPP-GFCCVEGCSA-N 0 0 320.389 2.361 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(=O)OCC)CCOCC1 ZINC000598422102 359194130 /nfs/dbraw/zinc/19/41/30/359194130.db2.gz VRRRLHWXBQBIPR-OKILXGFUSA-N 0 0 307.390 2.056 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CCSC)NC(=O)CC ZINC000598422707 359194684 /nfs/dbraw/zinc/19/46/84/359194684.db2.gz DDCNNGXAMUGSDI-HZSPNIEDSA-N 0 0 310.463 2.344 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](C2N=NC(=S)N2C)C1 ZINC000186265363 199936634 /nfs/dbraw/zinc/93/66/34/199936634.db2.gz LGWCUKAAOVPSLA-NWDGAFQWSA-N 0 0 308.451 2.412 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2CCC[C@H]([S@](C)=O)C2)CCOCC1 ZINC000598747950 359313144 /nfs/dbraw/zinc/31/31/44/359313144.db2.gz DDGAPQMCVOSERX-YPENRWOSSA-N 0 0 313.463 2.165 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NCC[C@@H]1CC1(F)F ZINC000598621477 359264181 /nfs/dbraw/zinc/26/41/81/359264181.db2.gz GQRIBTFUMAHCOP-LLVKDONJSA-N 0 0 300.330 2.190 10 30 DEEERN C=CCN(C(=O)[C@H](C)CC#N)c1nc(C(=O)OCC)cs1 ZINC000598808753 359332110 /nfs/dbraw/zinc/33/21/10/359332110.db2.gz DBOXOGFIEXQARQ-SNVBAGLBSA-N 0 0 307.375 2.389 10 30 DEEERN C=CCCSCCNC(=O)C(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000599567747 359528596 /nfs/dbraw/zinc/52/85/96/359528596.db2.gz ANLHRQQHMXWJSQ-BBRMVZONSA-N 0 0 310.463 2.203 10 30 DEEERN Cc1cc(C(=O)N2CC(C)(C#N)C2)c(C)n1[C@@H]1CCCOC1 ZINC000599865200 359614647 /nfs/dbraw/zinc/61/46/47/359614647.db2.gz CDSHMBARLVDEQM-CQSZACIVSA-N 0 0 301.390 2.442 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccsc1C(=O)OC ZINC000599995917 359631213 /nfs/dbraw/zinc/63/12/13/359631213.db2.gz VTLYTVQPXLINIZ-UHFFFAOYSA-N 0 0 324.402 2.192 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000600026987 359635837 /nfs/dbraw/zinc/63/58/37/359635837.db2.gz URXGEUTZWUBNAJ-GFCCVEGCSA-N 0 0 317.345 2.266 10 30 DEEERN C=CCN(C)C(=O)C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000627505623 366535455 /nfs/dbraw/zinc/53/54/55/366535455.db2.gz XDKQULGNOLBOSV-UHFFFAOYSA-N 0 0 302.374 2.164 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CSCC(=O)N2CCCCC2)C1 ZINC000600213464 359692441 /nfs/dbraw/zinc/69/24/41/359692441.db2.gz GLZWGANEVSIDCK-CQSZACIVSA-N 0 0 310.463 2.157 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCc2occc2[C@H]1C(=O)OCC ZINC000600250896 359703071 /nfs/dbraw/zinc/70/30/71/359703071.db2.gz QUCHWJCDXCELBH-WFASDCNBSA-N 0 0 321.373 2.250 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](Cc1cccc(OC)c1)C(=O)OC ZINC000600269142 359708568 /nfs/dbraw/zinc/70/85/68/359708568.db2.gz QNUZPRFYVSYVMN-CJNGLKHVSA-N 0 0 319.401 2.498 10 30 DEEERN C=CCN(CC=C)C(=O)CSc1nc(C2CC2)cc(=O)[nH]1 ZINC000188147348 200201125 /nfs/dbraw/zinc/20/11/25/200201125.db2.gz ORISQYUJPSBZBV-UHFFFAOYSA-N 0 0 305.403 2.352 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cnn(CCF)c1 ZINC000627635455 366574156 /nfs/dbraw/zinc/57/41/56/366574156.db2.gz QTASXAAVOSETQK-GXTWGEPZSA-N 0 0 322.384 2.042 10 30 DEEERN C=CCNC(=O)N1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000600887365 359852204 /nfs/dbraw/zinc/85/22/04/359852204.db2.gz UGVFGEUUZOPOGV-UHFFFAOYSA-N 0 0 309.391 2.005 10 30 DEEERN C=CCCC(C)(C)CN1C(=O)[C@H]2C[C@H](C(=O)OC)CCN2C1=O ZINC000601069314 359911560 /nfs/dbraw/zinc/91/15/60/359911560.db2.gz CKQFURYVGYQSCN-CHWSQXEVSA-N 0 0 322.405 2.195 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@@H]2C[C@@H](O)C23CCC3)cc1OC ZINC000619091045 363703305 /nfs/dbraw/zinc/70/33/05/363703305.db2.gz RZCSHTPJIHRKSS-HZPDHXFCSA-N 0 0 317.385 2.293 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1ccc(F)cc1Br ZINC000189093082 200347849 /nfs/dbraw/zinc/34/78/49/200347849.db2.gz WIGSRDVCUCRSHT-LLVKDONJSA-N 0 0 316.170 2.184 10 30 DEEERN C=C(C)C[C@@H](NC(=O)COc1cccc(CC)c1)C(=O)OC ZINC000601770351 360140410 /nfs/dbraw/zinc/14/04/10/360140410.db2.gz CNCPEUAFTDEMJZ-OAHLLOKOSA-N 0 0 305.374 2.252 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCC(=O)c1ccccc1)C(=O)OC ZINC000601772171 360141681 /nfs/dbraw/zinc/14/16/81/360141681.db2.gz NREGUSVHDIOKKR-CQSZACIVSA-N 0 0 303.358 2.274 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(Br)o1)C(=O)OC ZINC000601772333 360141786 /nfs/dbraw/zinc/14/17/86/360141786.db2.gz PKGDIQZIUUWBIF-MRVPVSSYSA-N 0 0 316.151 2.280 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(OCC)c(OC)c1)C(=O)OC ZINC000601774096 360142807 /nfs/dbraw/zinc/14/28/07/360142807.db2.gz YSJGUNWEPOPIDC-ZDUSSCGKSA-N 0 0 321.373 2.332 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(C)cc1)C(=O)OC ZINC000601774240 360142959 /nfs/dbraw/zinc/14/29/59/360142959.db2.gz ZQDWRSXAEUDKET-ZFWWWQNUSA-N 0 0 305.374 2.386 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(C(F)(F)F)nc1)C(=O)OC ZINC000601777206 360143425 /nfs/dbraw/zinc/14/34/25/360143425.db2.gz FNKLCZWDTPICGN-SNVBAGLBSA-N 0 0 316.279 2.338 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)nc1)C(=O)OC ZINC000601777205 360143614 /nfs/dbraw/zinc/14/36/14/360143614.db2.gz FNKLCZWDTPICGN-JTQLQIEISA-N 0 0 316.279 2.338 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)Oc1cccc(F)c1)C(=O)OC ZINC000601776891 360143884 /nfs/dbraw/zinc/14/38/84/360143884.db2.gz CVLFXALGGAFMSU-BXUZGUMPSA-N 0 0 309.337 2.217 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc2oc(C)nc2c1)C(=O)OC ZINC000601781254 360145568 /nfs/dbraw/zinc/14/55/68/360145568.db2.gz HRMPXMMNYFHYSR-ZDUSSCGKSA-N 0 0 302.330 2.374 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(C)n([C@@H](C)CC)n1)C(=O)OC ZINC000601786904 360149863 /nfs/dbraw/zinc/14/98/63/360149863.db2.gz JJSYQJUTBZKGPY-SMDDNHRTSA-N 0 0 307.394 2.400 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](O)[C@@H](C)c1ccc(C)cc1)C(=O)OC ZINC000601787999 360150460 /nfs/dbraw/zinc/15/04/60/360150460.db2.gz NYXWYOWGPOYFDX-BPUTZDHNSA-N 0 0 319.401 2.083 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(CSCC)on1)C(=O)OC ZINC000601787649 360150554 /nfs/dbraw/zinc/15/05/54/360150554.db2.gz LXYSGRYJUGUNEA-GFCCVEGCSA-N 0 0 312.391 2.165 10 30 DEEERN C=CCC1(C(=O)N2CCO[C@@](C)(C(=O)OCC)C2)CCCC1 ZINC000601902542 360187864 /nfs/dbraw/zinc/18/78/64/360187864.db2.gz ORPGYZMRJFNECK-MRXNPFEDSA-N 0 0 309.406 2.304 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CC[S@@](=O)C[C@H](C)C1 ZINC000602392861 360355744 /nfs/dbraw/zinc/35/57/44/360355744.db2.gz SHBJEAMNNIGZJO-ZUOKHONESA-N 0 0 300.468 2.389 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cc1cccc(N)c1Cl)C(=O)OC ZINC000602598290 360451229 /nfs/dbraw/zinc/45/12/29/360451229.db2.gz AUISDTCDWJSFNP-GFCCVEGCSA-N 0 0 310.781 2.089 10 30 DEEERN C=C(C)C[C@H](NC1CCN(CC(F)(F)F)CC1)C(=O)OC ZINC000602734151 360525380 /nfs/dbraw/zinc/52/53/80/360525380.db2.gz MUNLOVIJRIZCGN-LBPRGKRZSA-N 0 0 308.344 2.111 10 30 DEEERN CC#CCCNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000603121145 360709228 /nfs/dbraw/zinc/70/92/28/360709228.db2.gz IQCJPJAMNDIHDY-LSDHHAIUSA-N 0 0 300.358 2.498 10 30 DEEERN C=CCSCCNC(=O)c1csc(-c2ncccn2)n1 ZINC000604486764 360910621 /nfs/dbraw/zinc/91/06/21/360910621.db2.gz NMFCRGMYOWMGAO-UHFFFAOYSA-N 0 0 306.416 2.249 10 30 DEEERN C=CCN(C(=O)Cn1cc(C)c(C(F)(F)F)n1)[C@H](C)COC ZINC000628055157 366705504 /nfs/dbraw/zinc/70/55/04/366705504.db2.gz TVZHZBBIEYVPBB-LLVKDONJSA-N 0 0 319.327 2.260 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)N(C)C(=O)CO2 ZINC000628142453 366737324 /nfs/dbraw/zinc/73/73/24/366737324.db2.gz DFJOGUWZBFIPSD-OKILXGFUSA-N 0 0 312.369 2.365 10 30 DEEERN Cc1ccc([C@@H](C)CNC(=O)NC2CCN(CC#N)CC2)cc1 ZINC000610014487 361353384 /nfs/dbraw/zinc/35/33/84/361353384.db2.gz ULUNUHFACODKOB-HNNXBMFYSA-N 0 0 314.433 2.386 10 30 DEEERN Cc1nc(C#N)c(N2CCC(C(=O)NCC3(C)CCC3)CC2)o1 ZINC000193459752 201055652 /nfs/dbraw/zinc/05/56/52/201055652.db2.gz ZYFAQHBSSMWELF-UHFFFAOYSA-N 0 0 316.405 2.378 10 30 DEEERN CCOC(=O)CCN(C(=O)c1ccnc(C#N)c1)C(C)(C)C ZINC000193739353 201114443 /nfs/dbraw/zinc/11/44/43/201114443.db2.gz ATMVRCBSBKMKRV-UHFFFAOYSA-N 0 0 303.362 2.147 10 30 DEEERN C[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)c1ccncc1 ZINC000610518348 361414975 /nfs/dbraw/zinc/41/49/75/361414975.db2.gz BLFFCSQQDWRZST-CYBMUJFWSA-N 0 0 315.398 2.176 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1cc(S(=O)(=O)NC)ccc1C ZINC000628317832 366808224 /nfs/dbraw/zinc/80/82/24/366808224.db2.gz BDWBBPPAQLWUEX-UHFFFAOYSA-N 0 0 324.446 2.235 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000628318382 366808231 /nfs/dbraw/zinc/80/82/31/366808231.db2.gz BRTSQYMLZMOCSS-MCIONIFRSA-N 0 0 320.433 2.269 10 30 DEEERN C=C(C)[C@@H](CC(=O)NC[C@H](n1cccn1)C(F)(F)F)OCC ZINC000628331516 366815090 /nfs/dbraw/zinc/81/50/90/366815090.db2.gz PBHPDZNOOQJJIO-NEPJUHHUSA-N 0 0 319.327 2.474 10 30 DEEERN CN(C(=O)Cc1cccc(C#N)c1)[C@@H]1CCCc2c1cnn2C ZINC000610976864 361502395 /nfs/dbraw/zinc/50/23/95/361502395.db2.gz BIQDJUCCHJYWKB-MRXNPFEDSA-N 0 0 308.385 2.370 10 30 DEEERN C[C@H](O)[C@@](C)(CNC(=O)c1ccnc(C#N)c1)Cc1ccccc1 ZINC000194346112 201207804 /nfs/dbraw/zinc/20/78/04/201207804.db2.gz GXDZTTDGNOFNEH-IFXJQAMLSA-N 0 0 323.396 2.313 10 30 DEEERN C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)[C@@H]1CCCCO1 ZINC000611471979 361604977 /nfs/dbraw/zinc/60/49/77/361604977.db2.gz SBWQWEHTLOXMMW-ABAIWWIYSA-N 0 0 305.353 2.454 10 30 DEEERN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Cn1ccnc1C#N ZINC000611290903 361573477 /nfs/dbraw/zinc/57/34/77/361573477.db2.gz MLJHYYGYWWADJV-UHFFFAOYSA-N 0 0 312.417 2.430 10 30 DEEERN C=CCOCCNC(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000611546468 361627310 /nfs/dbraw/zinc/62/73/10/361627310.db2.gz FURWDJUVCDBGRH-MCMMXHMISA-N 0 0 324.446 2.329 10 30 DEEERN C[C@@H](C#N)CNC(=O)N[C@@H](Cc1nccn1C)c1ccccc1 ZINC000611626201 361648286 /nfs/dbraw/zinc/64/82/86/361648286.db2.gz CMCKKCSMMUIGGY-ZFWWWQNUSA-N 0 0 311.389 2.163 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1(COC)CCC1 ZINC000611720152 361666909 /nfs/dbraw/zinc/66/69/09/361666909.db2.gz GQISWXZDFYRPHD-CABCVRRESA-N 0 0 322.449 2.170 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC(C)(C)C(C)(C)O ZINC000611926889 361706094 /nfs/dbraw/zinc/70/60/94/361706094.db2.gz QQFRJACOBUVMDJ-UONOGXRCSA-N 0 0 324.465 2.151 10 30 DEEERN COCC1(C)CN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C1 ZINC000447883373 239151391 /nfs/dbraw/zinc/15/13/91/239151391.db2.gz UHGVUIVTCBMWTO-INIZCTEOSA-N 0 0 316.401 2.457 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H](CC)[C@@H]2CCCCO2)C1 ZINC000612045339 361730028 /nfs/dbraw/zinc/73/00/28/361730028.db2.gz SCVYNKWWNVYCEO-PMPSAXMXSA-N 0 0 322.449 2.265 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H](CC)[C@H]2CCCCO2)C1 ZINC000612045338 361730306 /nfs/dbraw/zinc/73/03/06/361730306.db2.gz SCVYNKWWNVYCEO-OWCLPIDISA-N 0 0 322.449 2.265 10 30 DEEERN C=C[C@@H](C(=O)OC)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000619722850 363866487 /nfs/dbraw/zinc/86/64/87/363866487.db2.gz DMPYKSJMZQSDRY-ZFWWWQNUSA-N 0 0 303.406 2.126 10 30 DEEERN CCc1n[nH]cc1C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000619729552 363867956 /nfs/dbraw/zinc/86/79/56/363867956.db2.gz OHKLVIBUCWZLCY-UHFFFAOYSA-N 0 0 309.373 2.065 10 30 DEEERN C[C@H](C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1)n1cnc(C#N)n1 ZINC000619600151 363837288 /nfs/dbraw/zinc/83/72/88/363837288.db2.gz GBVYKFVZZUYKEC-JIMOISOXSA-N 0 0 315.764 2.036 10 30 DEEERN C=CCC(C)(C)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000619967766 363921457 /nfs/dbraw/zinc/92/14/57/363921457.db2.gz VNPLHLSBKYAOLE-HUUCEWRRSA-N 0 0 306.450 2.348 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nnc(C3CC3)n2C1 ZINC000620303227 364012842 /nfs/dbraw/zinc/01/28/42/364012842.db2.gz MMOICXJAMQSROH-KFWWJZLASA-N 0 0 312.417 2.428 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCC1(CC(N)=O)CCCCC1 ZINC000620704332 364130319 /nfs/dbraw/zinc/13/03/19/364130319.db2.gz BDMWBSZAMSMMSF-INIZCTEOSA-N 0 0 310.438 2.157 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CNC(=O)c2ccccc2OCC)C1 ZINC000628482085 366863086 /nfs/dbraw/zinc/86/30/86/366863086.db2.gz DPQUAPDSDIPTRA-CQSZACIVSA-N 0 0 316.401 2.240 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)C1 ZINC000628485834 366863890 /nfs/dbraw/zinc/86/38/90/366863890.db2.gz UXJCJHWIELWIAU-CVEARBPZSA-N 0 0 319.449 2.339 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCC)c2)C1 ZINC000628483183 366864130 /nfs/dbraw/zinc/86/41/30/366864130.db2.gz ILIKEXVMVLMSLC-CYBMUJFWSA-N 0 0 322.430 2.023 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C2CCN(c3cnccn3)CC2)C1 ZINC000628485426 366864233 /nfs/dbraw/zinc/86/42/33/366864233.db2.gz LDNOWKJQPQUSSH-CQSZACIVSA-N 0 0 300.406 2.118 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)C1 ZINC000628488439 366865179 /nfs/dbraw/zinc/86/51/79/366865179.db2.gz ZOKWUXJGGGORBX-LBPRGKRZSA-N 0 0 317.364 2.394 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2ccc(OC)c(S(C)(=O)=O)c2)C1 ZINC000628493062 366866414 /nfs/dbraw/zinc/86/64/14/366866414.db2.gz IQZTZJVHGVGHPW-GFCCVEGCSA-N 0 0 323.414 2.137 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1cc(O)cc(C(F)(F)F)c1 ZINC000621942742 364602624 /nfs/dbraw/zinc/60/26/24/364602624.db2.gz FJFXZASXDFWAKE-SECBINFHSA-N 0 0 303.280 2.325 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCOc2ccccc2[C@H]1C ZINC000622988445 364848498 /nfs/dbraw/zinc/84/84/98/364848498.db2.gz GSWUTNFDPSMEBM-CZUORRHYSA-N 0 0 316.401 2.440 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc(C(F)(F)F)co1 ZINC000622876261 364818733 /nfs/dbraw/zinc/81/87/33/364818733.db2.gz YEGHNMJKTYBSSG-QMMMGPOBSA-N 0 0 305.256 2.103 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC2(CCCC2)OC[C@H]1C ZINC000622969566 364844676 /nfs/dbraw/zinc/84/46/76/364844676.db2.gz MAMMHRUXGUMZJV-UKRRQHHQSA-N 0 0 308.422 2.017 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ncccc3F)C2)C1 ZINC000623742479 365156420 /nfs/dbraw/zinc/15/64/20/365156420.db2.gz SATAMCLQFBQRFC-ZIAGYGMSSA-N 0 0 318.396 2.407 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCc1c(CC)nn(C)c1OC ZINC000623846126 365196979 /nfs/dbraw/zinc/19/69/79/365196979.db2.gz KQDYSOKNGKLDOK-UHFFFAOYSA-N 0 0 308.426 2.393 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCCc2cn3c(n2)SCC3)C1 ZINC000623896322 365213598 /nfs/dbraw/zinc/21/35/98/365213598.db2.gz NTVICPYOTHTEMJ-LBPRGKRZSA-N 0 0 306.435 2.139 10 30 DEEERN CC[C@@H](NC(=O)c1ccncc1C#CCO)c1cccs1 ZINC000091458631 193058522 /nfs/dbraw/zinc/05/85/22/193058522.db2.gz GLKWBDBPPTZVJK-CQSZACIVSA-N 0 0 300.383 2.368 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2ccccc2S(C)(=O)=O)C1 ZINC000624205876 365332099 /nfs/dbraw/zinc/33/20/99/365332099.db2.gz SNWCBHDKBRHWOX-ZDUSSCGKSA-N 0 0 322.430 2.198 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cn(CC2CC2)nn1 ZINC000449812407 241109990 /nfs/dbraw/zinc/10/99/90/241109990.db2.gz UTSIIQZYAPNIDE-UHFFFAOYSA-N 0 0 321.384 2.388 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000449892173 241221884 /nfs/dbraw/zinc/22/18/84/241221884.db2.gz NEMFYIXYXOFJLE-DOMZBBRYSA-N 0 0 303.406 2.468 10 30 DEEERN C[C@H](CNC(=O)c1ccc(C#N)n1C)Oc1cccc(F)c1 ZINC000449966478 241309988 /nfs/dbraw/zinc/30/99/88/241309988.db2.gz QHISNMPUSMLYDA-LLVKDONJSA-N 0 0 301.321 2.233 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CCO[C@@H](CCF)C2)cc1 ZINC000629013692 367048796 /nfs/dbraw/zinc/04/87/96/367048796.db2.gz MPCRUPDNZKSOPT-INIZCTEOSA-N 0 0 307.365 2.381 10 30 DEEERN C=CCn1cc(C(=O)NCc2csc(C(F)(F)F)c2)nn1 ZINC000629423692 367196665 /nfs/dbraw/zinc/19/66/65/367196665.db2.gz HIABISSPYQSOEH-UHFFFAOYSA-N 0 0 316.308 2.474 10 30 DEEERN C=CCC[C@H]1NC(=O)N([C@@H]2COc3cccc(C)c3C2)C1=O ZINC000629480583 367215334 /nfs/dbraw/zinc/21/53/34/367215334.db2.gz UMCBYAYMBGOJKN-GXTWGEPZSA-N 0 0 300.358 2.185 10 30 DEEERN C=CCC[C@@H]1NC(=O)N([C@H]2COc3cccc(C)c3C2)C1=O ZINC000629480585 367215390 /nfs/dbraw/zinc/21/53/90/367215390.db2.gz UMCBYAYMBGOJKN-OCCSQVGLSA-N 0 0 300.358 2.185 10 30 DEEERN C=CCOc1cccc(N2C(=O)N3C[C@H](OC)C[C@@]3(C)C2=O)c1 ZINC000630504518 367694613 /nfs/dbraw/zinc/69/46/13/367694613.db2.gz JSEPGAVYAGIJPQ-PBHICJAKSA-N 0 0 316.357 2.197 10 30 DEEERN C=C1CC(C)(C(=O)NCc2ccc(CN3CCOCC3)cc2)C1 ZINC000630578146 367736272 /nfs/dbraw/zinc/73/62/72/367736272.db2.gz HLXXIELSJQXQJI-UHFFFAOYSA-N 0 0 314.429 2.491 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2ccn(C3CCSCC3)n2)C1=O ZINC000630536738 367712500 /nfs/dbraw/zinc/71/25/00/367712500.db2.gz TUVKSLWXQSEFRA-LBPRGKRZSA-N 0 0 320.418 2.342 10 30 DEEERN Cc1cccc(N)c1NS(=O)(=O)c1ccc(CC#N)cc1 ZINC000092130569 193166172 /nfs/dbraw/zinc/16/61/72/193166172.db2.gz WGNNVGXUWXJHNF-UHFFFAOYSA-N 0 0 301.371 2.444 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2COc3ccc(F)cc3C2)C1=O ZINC000630980857 367948560 /nfs/dbraw/zinc/94/85/60/367948560.db2.gz CHQYGUYKQNLOPT-STQMWFEESA-N 0 0 304.321 2.016 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(Cc2ccc(C(C)(C)C)[nH]c2=O)C1=O ZINC000630992565 367955589 /nfs/dbraw/zinc/95/55/89/367955589.db2.gz SDDIIZJGCQVFPU-LBPRGKRZSA-N 0 0 317.389 2.471 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H]2CCCN(c3cc(CC)ncn3)C2)C1 ZINC000631264438 368109690 /nfs/dbraw/zinc/10/96/90/368109690.db2.gz JVTVKHZWRPCMRF-OAHLLOKOSA-N 0 0 314.433 2.480 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1nnc(C2CC2)o1 ZINC000631416760 368211948 /nfs/dbraw/zinc/21/19/48/368211948.db2.gz JZBMQPIZHQFPNI-UHFFFAOYSA-N 0 0 317.345 2.251 10 30 DEEERN C=CCOc1ccc(NC(=S)NC(=O)CCC(=O)OC)cc1 ZINC000007444984 181467239 /nfs/dbraw/zinc/46/72/39/181467239.db2.gz KJHLPKJOECDREO-UHFFFAOYSA-N 0 0 322.386 2.018 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000452341249 244167638 /nfs/dbraw/zinc/16/76/38/244167638.db2.gz JPQAEEGDEHMIOL-UHFFFAOYSA-N 0 0 312.329 2.470 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000452504584 244342728 /nfs/dbraw/zinc/34/27/28/244342728.db2.gz RJLSJCLPIRGCNX-QGPMSJSTSA-N 0 0 321.392 2.294 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452504581 244343220 /nfs/dbraw/zinc/34/32/20/244343220.db2.gz RJLSJCLPIRGCNX-HFTRVMKXSA-N 0 0 321.392 2.294 10 30 DEEERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C#Cc1ccccc1 ZINC000245415960 284164138 /nfs/dbraw/zinc/16/41/38/284164138.db2.gz HEYXQDAUXTXDGE-BBWFWOEESA-N 0 0 311.381 2.371 10 30 DEEERN Cc1cc(=O)[nH]c(S[C@@H]2CCC[C@](C#N)(NC3CC3)C2)n1 ZINC000093746984 193299493 /nfs/dbraw/zinc/29/94/93/193299493.db2.gz IRLIHEVOKFLOKY-DOMZBBRYSA-N 0 0 304.419 2.127 10 30 DEEERN C[C@H](O)c1ccc(N2CCO[C@@H](C#N)C2)c(Br)c1 ZINC000093933106 193329351 /nfs/dbraw/zinc/32/93/51/193329351.db2.gz NHCBKWUMDKRYRO-ONGXEEELSA-N 0 0 311.179 2.231 10 30 DEEERN C[C@H](NC(=O)c1csc(C#CCCO)c1)c1ccccn1 ZINC000093973854 193332748 /nfs/dbraw/zinc/33/27/48/193332748.db2.gz FNHDKJWAAUUWLO-LBPRGKRZSA-N 0 0 300.383 2.368 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1N ZINC000094045958 193341264 /nfs/dbraw/zinc/34/12/64/193341264.db2.gz YHYPPMUZSQFBRZ-QPUJVOFHSA-N 0 0 308.179 2.453 10 30 DEEERN OCC#Cc1cccc(O[C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000094408407 193367530 /nfs/dbraw/zinc/36/75/30/193367530.db2.gz AVCMRGJANNOOCB-IRXDYDNUSA-N 0 0 304.411 2.464 10 30 DEEERN CCO[C@@H]1CCCN(C(=O)c2cc(C)c(C#CCO)s2)C1 ZINC000094534717 193377108 /nfs/dbraw/zinc/37/71/08/193377108.db2.gz ULPVSIVDYPJBCX-CYBMUJFWSA-N 0 0 307.415 2.041 10 30 DEEERN CC[C@H]1CO[C@@H](C)CN1C(=O)c1cc(C)c(C#CCO)s1 ZINC000094534228 193377284 /nfs/dbraw/zinc/37/72/84/193377284.db2.gz NBUSWFWLYSJVTK-STQMWFEESA-N 0 0 307.415 2.040 10 30 DEEERN Cc1cc(C(=O)N(C)C[C@H]2CCCCO2)sc1C#CCO ZINC000094534256 193377320 /nfs/dbraw/zinc/37/73/20/193377320.db2.gz IIFXXRVELTYADT-CYBMUJFWSA-N 0 0 307.415 2.041 10 30 DEEERN O=C(NCC#Cc1ccc(N2CCNC2=O)cc1)[C@H]1CC=CCC1 ZINC000096351182 193615398 /nfs/dbraw/zinc/61/53/98/193615398.db2.gz XMOHNPYRPFVPJT-INIZCTEOSA-N 0 0 323.396 2.040 10 30 DEEERN C=CCn1c(CC2CC2)nnc1N1CCC[C@@]2(CCOC2)C1 ZINC000453426539 245135618 /nfs/dbraw/zinc/13/56/18/245135618.db2.gz RUMLJEPVIZYYDL-QGZVFWFLSA-N 0 0 302.422 2.424 10 30 DEEERN CNC(=S)N/N=C/c1c(-c2ccccc2)nc2sccn12 ZINC000007900011 181506122 /nfs/dbraw/zinc/50/61/22/181506122.db2.gz VAAKTUVFZYVYSP-CXUHLZMHSA-N 0 0 315.427 2.491 10 30 DEEERN C=C(C)Cn1c(N(C)C[C@H](C)C#N)nnc1[C@@]1(C)CCCO1 ZINC000453464746 245156165 /nfs/dbraw/zinc/15/61/65/245156165.db2.gz LKNAPGHJWXIZTD-CZUORRHYSA-N 0 0 303.410 2.476 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000453691284 245259589 /nfs/dbraw/zinc/25/95/89/245259589.db2.gz CBMJKLVKBJWYSD-UHFFFAOYSA-N 0 0 318.421 2.441 10 30 DEEERN C=CCN(CC=C)C(=O)CNC(=O)COc1ccc(Cl)cc1 ZINC000096570389 193679850 /nfs/dbraw/zinc/67/98/50/193679850.db2.gz LQAAKYBIEZEXBW-UHFFFAOYSA-N 0 0 322.792 2.036 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1COCC1(C)C ZINC000454003827 245390693 /nfs/dbraw/zinc/39/06/93/245390693.db2.gz SQASPGFFOHLZCI-HNNXBMFYSA-N 0 0 316.401 2.285 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000135109448 335019147 /nfs/dbraw/zinc/01/91/47/335019147.db2.gz QRTQTHPOMYHPBS-MRXNPFEDSA-N 0 0 300.402 2.460 10 30 DEEERN C=C(Br)CNS(=O)(=O)c1cc(C)ccc1C ZINC000161390712 197491847 /nfs/dbraw/zinc/49/18/47/197491847.db2.gz VMJQYSGNXYVKSQ-UHFFFAOYSA-N 0 0 304.209 2.490 10 30 DEEERN C=CCNC(=O)COc1c(C)cc(Br)cc1C=O ZINC000160766672 197437308 /nfs/dbraw/zinc/43/73/08/197437308.db2.gz MWBRYCMMIOORKV-UHFFFAOYSA-N 0 0 312.163 2.251 10 30 DEEERN N#CCCN(c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000021810798 182292296 /nfs/dbraw/zinc/29/22/96/182292296.db2.gz REYCYQSXFSSDBT-UHFFFAOYSA-N 0 0 301.371 2.378 10 30 DEEERN Cc1cc(CN(C)C(=O)NCc2ccc(C#N)c(F)c2)no1 ZINC000455528952 246644732 /nfs/dbraw/zinc/64/47/32/246644732.db2.gz BDAOSBBTXSEWNO-UHFFFAOYSA-N 0 0 302.309 2.335 10 30 DEEERN C=CCC1(NC(=O)CNC(=O)c2cccnc2)CCCCC1 ZINC000456360601 247121520 /nfs/dbraw/zinc/12/15/20/247121520.db2.gz DQEQGUGLXZEIGB-UHFFFAOYSA-N 0 0 301.390 2.207 10 30 DEEERN C=CCC[C@H](CO)NC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000456762824 247405937 /nfs/dbraw/zinc/40/59/37/247405937.db2.gz GLRRAIWOGCNJSO-OAHLLOKOSA-N 0 0 314.385 2.316 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000274349636 211535953 /nfs/dbraw/zinc/53/59/53/211535953.db2.gz OVLIFSMCMPTWMP-VIFPVBQESA-N 0 0 302.300 2.241 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCN(c2ccc(OC)cn2)CC1 ZINC000457022895 247553639 /nfs/dbraw/zinc/55/36/39/247553639.db2.gz NIBHJNRMBMAKEA-AWEZNQCLSA-N 0 0 303.406 2.341 10 30 DEEERN C=CCOc1ccccc1CNC(=O)NCCc1cn(C)cn1 ZINC000458382772 248284725 /nfs/dbraw/zinc/28/47/25/248284725.db2.gz RIRRJXLNVSFBAR-UHFFFAOYSA-N 0 0 314.389 2.027 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@H]1C[C@@]1(C)c1ccccc1OC ZINC000458413884 248296936 /nfs/dbraw/zinc/29/69/36/248296936.db2.gz CKSOWDUJAZEFDT-SKDZVZGDSA-N 0 0 318.417 2.352 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)NCc1ccc(OCC)c(F)c1 ZINC000458329999 248264467 /nfs/dbraw/zinc/26/44/67/248264467.db2.gz JDLWNBDQKHJOIO-ZDUSSCGKSA-N 0 0 310.369 2.351 10 30 DEEERN COCCC1(C)CN(C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000459123101 248583798 /nfs/dbraw/zinc/58/37/98/248583798.db2.gz OOIJNGFKKZNHFA-UHFFFAOYSA-N 0 0 305.353 2.265 10 30 DEEERN C[C@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CSCN3)sc2C1 ZINC000040852913 183142100 /nfs/dbraw/zinc/14/21/00/183142100.db2.gz HPFRGVMACSPSAQ-KWQFWETISA-N 0 0 307.444 2.346 10 30 DEEERN CC(C)CN(CC(C)C)c1ncnc(N(CC#N)CC#N)c1N ZINC000040735511 183126635 /nfs/dbraw/zinc/12/66/35/183126635.db2.gz ABOMUORSKKAWPZ-UHFFFAOYSA-N 0 0 315.425 2.031 10 30 DEEERN C=CCNC(=O)[C@@H](C)NCc1cc(Br)ccc1F ZINC000041065363 183161661 /nfs/dbraw/zinc/16/16/61/183161661.db2.gz JBHMTDFHLUGIEH-SECBINFHSA-N 0 0 315.186 2.369 10 30 DEEERN C[C@@H](C#N)CN(C)CC(=O)Nc1cccc(Br)c1 ZINC000042324808 183254435 /nfs/dbraw/zinc/25/44/35/183254435.db2.gz DIIKBVWBMBXEHV-JTQLQIEISA-N 0 0 310.195 2.479 10 30 DEEERN CN(Cc1csc(C#CCO)c1)C(=O)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000042363905 183259187 /nfs/dbraw/zinc/25/91/87/183259187.db2.gz ZWDPPXRIPQKJMS-BJJXKVORSA-N 0 0 303.427 2.487 10 30 DEEERN C[C@@H](C(=O)Nc1ccc(C#N)cc1)N(C)Cc1cscn1 ZINC000042865076 183314983 /nfs/dbraw/zinc/31/49/83/183314983.db2.gz BCBQUTAHAZBERA-NSHDSACASA-N 0 0 300.387 2.474 10 30 DEEERN C=CCNC(=O)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000042925607 183319401 /nfs/dbraw/zinc/31/94/01/183319401.db2.gz CMABHEICRIMSLC-UHFFFAOYSA-N 0 0 301.390 2.085 10 30 DEEERN CC(C)Oc1ccc(F)cc1NC(=O)N1CCO[C@@H](C#N)C1 ZINC000106325154 194196970 /nfs/dbraw/zinc/19/69/70/194196970.db2.gz CFIPHXFNGOXBNC-LBPRGKRZSA-N 0 0 307.325 2.369 10 30 DEEERN CN(c1ccccc1N)S(=O)(=O)Cc1ccccc1C#N ZINC000050014792 183767360 /nfs/dbraw/zinc/76/73/60/183767360.db2.gz MXBVAJWHPRPFLR-UHFFFAOYSA-N 0 0 301.371 2.107 10 30 DEEERN N#Cc1cc(S(=O)(=O)N2CCC(C#N)CC2)ccc1Cl ZINC000057930468 184062851 /nfs/dbraw/zinc/06/28/51/184062851.db2.gz CXYMTBNRXAAWIC-UHFFFAOYSA-N 0 0 309.778 2.136 10 30 DEEERN C[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccc2c(c1)OCO2 ZINC000057990486 184065535 /nfs/dbraw/zinc/06/55/35/184065535.db2.gz WTGVZZNLLAXKEI-LLVKDONJSA-N 0 0 301.346 2.421 10 30 DEEERN CC1(C)CC(=O)N(Cc2sccc2C#CCCO)C(=O)C1 ZINC000061828383 184188942 /nfs/dbraw/zinc/18/89/42/184188942.db2.gz VAAQICVCOAXPHZ-UHFFFAOYSA-N 0 0 305.399 2.157 10 30 DEEERN Cc1ccc(S(=O)(=O)NCCCC(C)C)c(C#CCO)c1 ZINC000062096545 184206162 /nfs/dbraw/zinc/20/61/62/184206162.db2.gz NACYBTBBKAHRHP-UHFFFAOYSA-N 0 0 309.431 2.053 10 30 DEEERN C[C@@H](CC#N)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000064333274 184294596 /nfs/dbraw/zinc/29/45/96/184294596.db2.gz VTZDVFOAGZMPJS-LBPRGKRZSA-N 0 0 317.364 2.096 10 30 DEEERN C=C(C)COc1ccc(-c2cc(C(=O)NCC)nc(N)n2)cc1 ZINC000066138455 184392268 /nfs/dbraw/zinc/39/22/68/184392268.db2.gz FECSGUYWIVFYOH-UHFFFAOYSA-N 0 0 312.373 2.430 10 30 DEEERN C[C@H](C(=O)N[C@@H](c1cccs1)C1CC1)n1cnc(C#N)n1 ZINC000538419134 285034794 /nfs/dbraw/zinc/03/47/94/285034794.db2.gz DAEQYWHOASAWHY-NOZJJQNGSA-N 0 0 301.375 2.040 10 30 DEEERN C=CCN(CCO)S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000158732345 197297411 /nfs/dbraw/zinc/29/74/11/197297411.db2.gz GDMJRNZWVVWGAQ-YRNVUSSQSA-N 0 0 301.795 2.121 10 30 DEEERN CC[C@@H]1CN(C(=O)c2cc(F)ccc2C#CCO)CCS1 ZINC000157969926 197231148 /nfs/dbraw/zinc/23/11/48/197231148.db2.gz XLZZDYJIAKLHBM-CQSZACIVSA-N 0 0 307.390 2.137 10 30 DEEERN CCCN(CCS(=O)(=O)c1cccc(C#N)c1)CC(F)F ZINC000156706848 197135254 /nfs/dbraw/zinc/13/52/54/197135254.db2.gz JSGYJAIYJBDSOG-UHFFFAOYSA-N 0 0 316.373 2.309 10 30 DEEERN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC(CO)C1 ZINC000192216029 533152938 /nfs/dbraw/zinc/15/29/38/533152938.db2.gz IRRMTKKTWGLDBN-NSHDSACASA-N 0 0 305.403 2.394 10 30 DEEERN O=C(NCc1ccc(C#CCCO)cc1)[C@H]1CCCCS1 ZINC000156272709 197100603 /nfs/dbraw/zinc/10/06/03/197100603.db2.gz SGDUFGCODYJHOD-MRXNPFEDSA-N 0 0 303.427 2.322 10 30 DEEERN CCC(=O)N[C@H]1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000542536043 285232390 /nfs/dbraw/zinc/23/23/90/285232390.db2.gz LUKCJVZQJUYPGG-ZDUSSCGKSA-N 0 0 319.792 2.342 10 30 DEEERN C=CCO[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)Cc1ccsc1 ZINC000253377139 257106478 /nfs/dbraw/zinc/10/64/78/257106478.db2.gz WCVRMLFDZGALEB-FMKPAKJESA-N 0 0 307.415 2.252 10 30 DEEERN C=CCO[C@@H]1CCN(Cc2nccn2C)[C@@H]1Cc1cccnc1 ZINC000248103625 257109300 /nfs/dbraw/zinc/10/93/00/257109300.db2.gz FLQCKWUENVOADQ-IAGOWNOFSA-N 0 0 312.417 2.203 10 30 DEEERN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1ccc(C)cc1 ZINC000247860844 257116372 /nfs/dbraw/zinc/11/63/72/257116372.db2.gz GAIYFWCSLJONGP-IAGOWNOFSA-N 0 0 312.413 2.315 10 30 DEEERN C[C@]12CCN(C(=O)C(=O)Nc3cccc(C#N)c3)C[C@H]1C2(F)F ZINC000295014342 224380137 /nfs/dbraw/zinc/38/01/37/224380137.db2.gz NAAURPXPRHDYHY-DOMZBBRYSA-N 0 0 319.311 2.000 10 30 DEEERN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000121783738 195346949 /nfs/dbraw/zinc/34/69/49/195346949.db2.gz QIIFLCLBVRIPIR-GFCCVEGCSA-N 0 0 309.778 2.072 10 30 DEEERN COC(=O)[C@@H]1CCN(c2cc(Br)ccc2C#N)C1 ZINC000123352681 195571692 /nfs/dbraw/zinc/57/16/92/195571692.db2.gz OKEIJZVUHFAUFP-SNVBAGLBSA-N 0 0 309.163 2.320 10 30 DEEERN CCN(CC)C(=O)CCn1c2cc(C#N)ccc2[nH]c1=S ZINC000125100012 195711972 /nfs/dbraw/zinc/71/19/72/195711972.db2.gz BPTJLKQHWIKRGH-UHFFFAOYSA-N 0 0 302.403 2.455 10 30 DEEERN CC(=O)N1CCC[C@@H]1C(=O)N(C)c1cc(Cl)ccc1C#N ZINC000362016026 133205569 /nfs/dbraw/zinc/20/55/69/133205569.db2.gz SRRFCWOJGRAZRS-CYBMUJFWSA-N 0 0 305.765 2.185 10 30 DEEERN C[C@@H]1CCOCCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000362241463 133219106 /nfs/dbraw/zinc/21/91/06/133219106.db2.gz XLZKAVDIRQKLCC-LLVKDONJSA-N 0 0 307.781 2.261 10 30 DEEERN N#Cc1cccc(C(=O)N2CCCN(c3ccccn3)CC2)c1 ZINC000186440463 144982330 /nfs/dbraw/zinc/98/23/30/144982330.db2.gz CJKHVKUPPQRNAX-UHFFFAOYSA-N 0 0 306.369 2.306 10 30 DEEERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(F)c1C#N ZINC000188508849 145013344 /nfs/dbraw/zinc/01/33/44/145013344.db2.gz ZCNFYMZNSMUYCV-ZDUSSCGKSA-N 0 0 313.336 2.116 10 30 DEEERN Cn1nccc1C1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000189725416 145033014 /nfs/dbraw/zinc/03/30/14/145033014.db2.gz OPBJXNWGRZCIKY-UHFFFAOYSA-N 0 0 312.348 2.451 10 30 DEEERN CCn1cnnc1-c1ccccc1NC(=O)c1ccnc(C#N)c1 ZINC000192717972 145078054 /nfs/dbraw/zinc/07/80/54/145078054.db2.gz BSXLCURUCJAWQD-UHFFFAOYSA-N 0 0 318.340 2.484 10 30 DEEERN N#Cc1ccc(N2CCC[C@@H](c3ccnc(N)n3)C2)c([N+](=O)[O-])c1 ZINC000192754772 145078617 /nfs/dbraw/zinc/07/86/17/145078617.db2.gz JBPFVFLPGHTTDD-GFCCVEGCSA-N 0 0 324.344 2.223 10 30 DEEERN C[S@@](=O)c1ccc(NC(=O)c2ccnc(C#N)c2)cc1F ZINC000192979177 145081027 /nfs/dbraw/zinc/08/10/27/145081027.db2.gz MZAMZBVMGMBKHY-OAQYLSRUSA-N 0 0 303.318 2.082 10 30 DEEERN N#Cc1cc(C(=O)N(CCc2ccccc2)[C@@H]2CCOC2)ccn1 ZINC000193477517 145086659 /nfs/dbraw/zinc/08/66/59/145086659.db2.gz XMCBUPXOVCAJMK-GOSISDBHSA-N 0 0 321.380 2.427 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(C#N)cc1F ZINC000248825125 145168711 /nfs/dbraw/zinc/16/87/11/145168711.db2.gz KEZLBQMNLIVHRW-NOLJZWGESA-N 0 0 302.349 2.471 10 30 DEEERN COCC[C@@H](COC)Nc1ncc(Br)cc1C#N ZINC000336794197 145398117 /nfs/dbraw/zinc/39/81/17/145398117.db2.gz ACYYJHUZSZQTJR-NSHDSACASA-N 0 0 314.183 2.179 10 30 DEEERN C[C@@H](C(=O)Nc1cccc(-c2nccs2)c1)n1cnc(C#N)n1 ZINC000356979019 147015185 /nfs/dbraw/zinc/01/51/85/147015185.db2.gz ZWCCGSDRFJNGMA-JTQLQIEISA-N 0 0 324.369 2.473 10 30 DEEERN Cn1nccc1[C@H]1CCCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000374162834 148212253 /nfs/dbraw/zinc/21/22/53/148212253.db2.gz RNNJVCWVMBAFRH-QGZVFWFLSA-N 0 0 323.400 2.457 10 30 DEEERN N#Cc1ccccc1/C=C/C(=O)N1CCN[C@H](c2ccncc2)C1 ZINC000374390339 148240233 /nfs/dbraw/zinc/24/02/33/148240233.db2.gz VEQGOLYCLMNVTK-QWNKOJSDSA-N 0 0 318.380 2.140 10 30 DEEERN Cc1oc(NC(=O)[C@@H](C)N2CCO[C@@H](C3CC3)C2)c(C#N)c1C ZINC000375334213 148360016 /nfs/dbraw/zinc/36/00/16/148360016.db2.gz RXKNHCCGNQSXKW-IAQYHMDHSA-N 0 0 317.389 2.206 10 30 DEEERN CCn1c(Sc2cnc(C#N)cn2)nnc1-c1ccccn1 ZINC000127479020 401737255 /nfs/dbraw/zinc/73/72/55/401737255.db2.gz YFENBLZREOGNKF-UHFFFAOYSA-N 0 0 309.358 2.173 10 30 DEEERN N#CCC[C@@H](C#N)CN1CCCN(C(=O)c2cccs2)CC1 ZINC000112368550 401742320 /nfs/dbraw/zinc/74/23/20/401742320.db2.gz UNYHMORBJBDZDA-AWEZNQCLSA-N 0 0 316.430 2.340 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)CN(C)CCOc1ccc(C)cc1 ZINC000076750158 401799203 /nfs/dbraw/zinc/79/92/03/401799203.db2.gz BILQDPAMCUZICZ-INIZCTEOSA-N 0 0 317.433 2.314 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)CN(C)CCOc1ccc(C)cc1 ZINC000076750160 401799530 /nfs/dbraw/zinc/79/95/30/401799530.db2.gz BILQDPAMCUZICZ-MRXNPFEDSA-N 0 0 317.433 2.314 10 30 DEEERN C#C[C@H]1C[C@]2(C)[C@@H](O)[C@H](O)C[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 ZINC000013651928 401802089 /nfs/dbraw/zinc/80/20/89/401802089.db2.gz PNTBULWYARHISX-PVPZMVGNSA-N 0 0 312.409 2.439 10 30 DEEERN COc1cc(/C=N/NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)ccc1O ZINC000013657694 401802095 /nfs/dbraw/zinc/80/20/95/401802095.db2.gz GOOGNNJDJPBQBT-DAGQTWIDSA-N 0 0 319.430 2.387 10 30 DEEERN N#Cc1ccc(SCC(=O)NC[C@H]2CCCC[C@H]2O)cc1 ZINC000077161212 401804299 /nfs/dbraw/zinc/80/42/99/401804299.db2.gz WLJCYUAXKDCYFG-UKRRQHHQSA-N 0 0 304.415 2.318 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000075198324 401754226 /nfs/dbraw/zinc/75/42/26/401754226.db2.gz LPCIRNISAVYQIR-UPJWGTAASA-N 0 0 309.410 2.440 10 30 DEEERN CCN(CC)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000076242212 401787313 /nfs/dbraw/zinc/78/73/13/401787313.db2.gz MRUNHGMMBJLDPR-UHFFFAOYSA-N 0 0 313.279 2.384 10 30 DEEERN Cc1noc(CCNC(=O)N[C@H](CCC#N)c2ccccc2)n1 ZINC000132634902 401870534 /nfs/dbraw/zinc/87/05/34/401870534.db2.gz WOARWPCPWYEJRS-CQSZACIVSA-N 0 0 313.361 2.265 10 30 DEEERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1cccc(C#N)c1 ZINC000115171090 401820534 /nfs/dbraw/zinc/82/05/34/401820534.db2.gz AXQLISWBPVTWBL-OAHLLOKOSA-N 0 0 314.389 2.423 10 30 DEEERN Cc1nc(CC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cs1 ZINC000130566473 401835763 /nfs/dbraw/zinc/83/57/63/401835763.db2.gz ZKINZNFMVTYKLX-UHFFFAOYSA-N 0 0 313.382 2.156 10 30 DEEERN C#CCSCCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000130728129 401838017 /nfs/dbraw/zinc/83/80/17/401838017.db2.gz ZRLBIVZGCZIKJL-SWLSCSKDSA-N 0 0 316.426 2.377 10 30 DEEERN CCOc1ccc(C#N)cc1NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000078239726 401844226 /nfs/dbraw/zinc/84/42/26/401844226.db2.gz MWNBRDHQRSPMTR-GFCCVEGCSA-N 0 0 323.418 2.346 10 30 DEEERN CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)N2CCC(C#N)CC2)C1 ZINC000116558030 401854924 /nfs/dbraw/zinc/85/49/24/401854924.db2.gz YESGGOVVWJKRNP-LSDHHAIUSA-N 0 0 320.437 2.015 10 30 DEEERN C=CC[C@H](C)NC(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000116973294 401865994 /nfs/dbraw/zinc/86/59/94/401865994.db2.gz DIFYIQMKKSGRSI-HNNXBMFYSA-N 0 0 319.453 2.085 10 30 DEEERN C=C[C@](C)(CC)C(=O)N1CCN(c2nccc(OCC)n2)CC1 ZINC000135024828 401924430 /nfs/dbraw/zinc/92/44/30/401924430.db2.gz PYMGHOKXXSCCSM-QGZVFWFLSA-N 0 0 318.421 2.126 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@@H]2CCCc3cc(F)ccc32)CCO1 ZINC000119100509 401925740 /nfs/dbraw/zinc/92/57/40/401925740.db2.gz FJDHEWVMCNHXFL-UKRRQHHQSA-N 0 0 303.337 2.137 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccn(C2CCCC2)n1 ZINC000344993983 404489341 /nfs/dbraw/zinc/48/93/41/404489341.db2.gz MTDYHOXLPJIIOP-UHFFFAOYSA-N 0 0 318.421 2.039 10 30 DEEERN C#CCNC(=O)c1nnc(N2CCCC[C@H]2C)c2ccccc21 ZINC000034838215 401893800 /nfs/dbraw/zinc/89/38/00/401893800.db2.gz OGERBWOJYMXVFI-CYBMUJFWSA-N 0 0 308.385 2.372 10 30 DEEERN C[C@H]1CC[C@H](C)N(CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000081517241 401896786 /nfs/dbraw/zinc/89/67/86/401896786.db2.gz ICEXIZZBLXUIRO-KBPBESRZSA-N 0 0 306.431 2.452 10 30 DEEERN C=CCN(C(C)=O)[C@@H](C)C(=O)c1c(C)c(C(=O)OC)n(C)c1C ZINC000036018407 401901571 /nfs/dbraw/zinc/90/15/71/401901571.db2.gz WUZULOOZRCDSHF-LBPRGKRZSA-N 0 0 320.389 2.034 10 30 DEEERN CC(=O)c1cnc(NC(=O)COc2ccccc2C#N)s1 ZINC000118632296 401902883 /nfs/dbraw/zinc/90/28/83/401902883.db2.gz SZMKUTDNSZFOFY-UHFFFAOYSA-N 0 0 301.327 2.235 10 30 DEEERN CC[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)C(=O)OC ZINC000084280333 401904306 /nfs/dbraw/zinc/90/43/06/401904306.db2.gz GWLIJBRHHNOVSG-OAHLLOKOSA-N 0 0 318.373 2.175 10 30 DEEERN COc1ccc(CSC[C@H](C)CS(C)(=O)=O)cc1C#N ZINC000135347590 401936941 /nfs/dbraw/zinc/93/69/41/401936941.db2.gz XHXBZUKTAUAEDD-NSHDSACASA-N 0 0 313.444 2.481 10 30 DEEERN C=CCOCC(=O)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000344995706 404489884 /nfs/dbraw/zinc/48/98/84/404489884.db2.gz PYUJVJUSEBKZKY-CQSZACIVSA-N 0 0 312.373 2.338 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(-n2ccnn2)cc1 ZINC000089778508 401962644 /nfs/dbraw/zinc/96/26/44/401962644.db2.gz WOCJJTGVXVVPTN-UHFFFAOYSA-N 0 0 310.279 2.458 10 30 DEEERN C[C@H]1CN(C(=O)CSCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000046804985 401972969 /nfs/dbraw/zinc/97/29/69/401972969.db2.gz ZXVFXXZTUXODKR-STQMWFEESA-N 0 0 304.415 2.427 10 30 DEEERN CC(=O)N[C@H](C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091050293 401991447 /nfs/dbraw/zinc/99/14/47/401991447.db2.gz MFHUQZSUPUUMSN-CYBMUJFWSA-N 0 0 321.380 2.366 10 30 DEEERN O=C(C#Cc1ccc2c(c1)OCO2)N[C@@H]1COc2ccccc21 ZINC000135431434 401938829 /nfs/dbraw/zinc/93/88/29/401938829.db2.gz RTGABGLWOBWOCA-CQSZACIVSA-N 0 0 307.305 2.017 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1COc2ccccc2C1 ZINC000053045946 402050370 /nfs/dbraw/zinc/05/03/70/402050370.db2.gz SNIGEINMERBLMK-XJKSGUPXSA-N 0 0 322.364 2.445 10 30 DEEERN C=CCOc1ccccc1CN1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000092703206 402007598 /nfs/dbraw/zinc/00/75/98/402007598.db2.gz MLWQNUORZYLIHC-CVEARBPZSA-N 0 0 300.402 2.494 10 30 DEEERN C=C[C@H](CC(=O)NC[C@H](C)N1CCOCC1)c1ccccc1 ZINC000152077013 402073973 /nfs/dbraw/zinc/07/39/73/402073973.db2.gz UUXKEBBJJMPRLU-JKSUJKDBSA-N 0 0 302.418 2.183 10 30 DEEERN C=CCn1nnnc1SCC(=O)c1cc(C)n(CC)c1C ZINC000064654334 402120380 /nfs/dbraw/zinc/12/03/80/402120380.db2.gz QKCXIHKVBZKDSH-UHFFFAOYSA-N 0 0 305.407 2.272 10 30 DEEERN N#Cc1ccccc1Oc1ccccc1C(=O)N1CC(CO)C1 ZINC000122522225 402082501 /nfs/dbraw/zinc/08/25/01/402082501.db2.gz IVYHZCINPYSXQB-UHFFFAOYSA-N 0 0 308.337 2.415 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)Nc3ccc(F)cn3)C2)cc1 ZINC000123167543 402114127 /nfs/dbraw/zinc/11/41/27/402114127.db2.gz NOCNEJYUCSGXPM-UHFFFAOYSA-N 0 0 312.304 2.387 10 30 DEEERN Cc1cc(NC(=O)Cn2ccnc2C#N)n(-c2ccc(F)cc2)n1 ZINC000123971721 402157223 /nfs/dbraw/zinc/15/72/23/402157223.db2.gz KFDWWJKIWLPCLM-UHFFFAOYSA-N 0 0 324.319 2.027 10 30 DEEERN COC[C@H](C)n1c(C)cc(C(=O)Cn2ccnc2C#N)c1C ZINC000123926790 402154756 /nfs/dbraw/zinc/15/47/56/402154756.db2.gz IHGCYULLVHEDFW-LBPRGKRZSA-N 0 0 300.362 2.263 10 30 DEEERN N#Cc1nccn1CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000123941168 402155207 /nfs/dbraw/zinc/15/52/07/402155207.db2.gz BAJDLUYXSFLFEI-OAHLLOKOSA-N 0 0 323.381 2.117 10 30 DEEERN CN(CC(=O)Nc1ccccc1SCC#N)C[C@@H]1CCCO1 ZINC000103480771 402190252 /nfs/dbraw/zinc/19/02/52/402190252.db2.gz PKEZTAJORBPZBK-ZDUSSCGKSA-N 0 0 319.430 2.352 10 30 DEEERN C[C@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)N1CCCCC1 ZINC000067487422 402160778 /nfs/dbraw/zinc/16/07/78/402160778.db2.gz HRAYOEIOOJQKMR-LBPRGKRZSA-N 0 0 300.362 2.081 10 30 DEEERN C=CCc1ccc(OCC(=O)N(C)[C@H]2CCOC2)c(OC)c1 ZINC000106840269 402217508 /nfs/dbraw/zinc/21/75/08/402217508.db2.gz YGOKGHFXYUBXIV-AWEZNQCLSA-N 0 0 305.374 2.050 10 30 DEEERN N#Cc1cc(S(=O)(=O)N(CC(F)F)C2CC2)ccc1F ZINC000106896223 402221256 /nfs/dbraw/zinc/22/12/56/402221256.db2.gz NSXHPIJFSWOKSY-UHFFFAOYSA-N 0 0 304.293 2.116 10 30 DEEERN CCCCCCC[C@@H](C)CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC000155631291 402263748 /nfs/dbraw/zinc/26/37/48/402263748.db2.gz DQLYNUDUCZWNOS-SFYCDEOASA-N 0 0 323.437 2.087 10 30 DEEERN CCc1nc2n(n1)C[C@@H](Nc1ncc(C#N)cc1Cl)CC2 ZINC000108948648 402265101 /nfs/dbraw/zinc/26/51/01/402265101.db2.gz WBJLLZUNHLBLIU-JTQLQIEISA-N 0 0 302.769 2.187 10 30 DEEERN N#Cc1cccc(CS(=O)(=O)N(CC(F)F)C2CC2)c1 ZINC000108400667 402252255 /nfs/dbraw/zinc/25/22/55/402252255.db2.gz ROBVOVGNEKDJLT-UHFFFAOYSA-N 0 0 300.330 2.118 10 30 DEEERN N#C[C@@H](NC(=O)CCc1nc(-c2ccsc2)no1)C1CC1 ZINC000108829925 402262401 /nfs/dbraw/zinc/26/24/01/402262401.db2.gz NEUGKBOQEMXLII-LLVKDONJSA-N 0 0 302.359 2.149 10 30 DEEERN N#C[C@@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)C1CC1 ZINC000108833221 402262580 /nfs/dbraw/zinc/26/25/80/402262580.db2.gz VINJZSKFXLMFNN-OAHLLOKOSA-N 0 0 324.384 2.463 10 30 DEEERN C=CCNC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000068766215 402205369 /nfs/dbraw/zinc/20/53/69/402205369.db2.gz KFGNHDIESZULBG-DZPQGLOJSA-N 0 0 316.445 2.496 10 30 DEEERN CCOc1ccc(CNS(=O)(=O)CCCCC#N)cc1F ZINC000068916423 402209190 /nfs/dbraw/zinc/20/91/90/402209190.db2.gz JMEQHHXEHAIJOQ-UHFFFAOYSA-N 0 0 314.382 2.338 10 30 DEEERN C[C@@H](C1CC1)N(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184621480 402285600 /nfs/dbraw/zinc/28/56/00/402285600.db2.gz IRQIIJDJEKZJCM-NSHDSACASA-N 0 0 310.361 2.401 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CC ZINC000184718964 402295032 /nfs/dbraw/zinc/29/50/32/402295032.db2.gz VDKPALUJSDKKHT-AWEZNQCLSA-N 0 0 317.389 2.044 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000184733603 402296077 /nfs/dbraw/zinc/29/60/77/402296077.db2.gz MAXMATBZZZUHMK-KKUMJFAQSA-N 0 0 305.422 2.294 10 30 DEEERN COc1ccc(NC(=O)c2cc(C#N)cn2C)cc1NC(C)=O ZINC000176632330 402325086 /nfs/dbraw/zinc/32/50/86/402325086.db2.gz HXDFOPNBRDCJEO-UHFFFAOYSA-N 0 0 312.329 2.116 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000184967450 402313418 /nfs/dbraw/zinc/31/34/18/402313418.db2.gz PXSBTACMEGASSX-ZIAGYGMSSA-N 0 0 306.362 2.217 10 30 DEEERN COc1cccc([C@@H](C)N2CCN(c3cnc(C#N)cn3)CC2)c1 ZINC000185355513 402346391 /nfs/dbraw/zinc/34/63/91/402346391.db2.gz QSFBLKJAKMZZOM-CQSZACIVSA-N 0 0 323.400 2.240 10 30 DEEERN C#C[C@H](C)NC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000185368591 402347385 /nfs/dbraw/zinc/34/73/85/402347385.db2.gz GZKUENHOARQNDM-SMDDNHRTSA-N 0 0 306.793 2.232 10 30 DEEERN C#C[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000185368625 402347762 /nfs/dbraw/zinc/34/77/62/402347762.db2.gz GZKUENHOARQNDM-BXUZGUMPSA-N 0 0 306.793 2.232 10 30 DEEERN COc1ncccc1NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000160590693 402352444 /nfs/dbraw/zinc/35/24/44/402352444.db2.gz DEKJDHVXNYCRPT-UHFFFAOYSA-N 0 0 324.340 2.257 10 30 DEEERN Cc1cc(C)n([C@@H](C)C(=O)Nc2nn(C(C)C)cc2C#N)n1 ZINC000177005886 402358792 /nfs/dbraw/zinc/35/87/92/402358792.db2.gz NHDOHYNBUCBWHP-LBPRGKRZSA-N 0 0 300.366 2.349 10 30 DEEERN C=CC[C@H](CO)NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000185690615 402369885 /nfs/dbraw/zinc/36/98/85/402369885.db2.gz XAGQRBJYXRINSS-OLZOCXBDSA-N 0 0 318.200 2.470 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1c(F)cc(Br)cc1F ZINC000185770024 402375176 /nfs/dbraw/zinc/37/51/76/402375176.db2.gz WAQGEHOVYGVBBY-MRVPVSSYSA-N 0 0 320.133 2.394 10 30 DEEERN N#CCCn1ccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)n1 ZINC000185770453 402375343 /nfs/dbraw/zinc/37/53/43/402375343.db2.gz APTUZEACCOWCQP-ZDUSSCGKSA-N 0 0 313.365 2.279 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000161161003 402376090 /nfs/dbraw/zinc/37/60/90/402376090.db2.gz POOZPVGVNYMHEE-UHFFFAOYSA-N 0 0 306.410 2.292 10 30 DEEERN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CC#Cc1ccc(Cl)cc1 ZINC000177170635 402377883 /nfs/dbraw/zinc/37/78/83/402377883.db2.gz CTLFPQXGXGULIM-STQMWFEESA-N 0 0 313.850 2.445 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000185849044 402381945 /nfs/dbraw/zinc/38/19/45/402381945.db2.gz QLIIGGOYPQEELE-HNNXBMFYSA-N 0 0 306.381 2.484 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000186041221 402397871 /nfs/dbraw/zinc/39/78/71/402397871.db2.gz ZGXKMXGOFJUQAB-DZGCQCFKSA-N 0 0 301.390 2.296 10 30 DEEERN C[C@@](C#N)(NC(=O)CN1Cc2ccccc2C2(CC2)C1)C1CC1 ZINC000186185471 402408635 /nfs/dbraw/zinc/40/86/35/402408635.db2.gz LVMRLOGUHBVFEG-SFHVURJKSA-N 0 0 309.413 2.342 10 30 DEEERN C=CCOCCCC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162440885 402419757 /nfs/dbraw/zinc/41/97/57/402419757.db2.gz MDXYJANTHIICRY-UHFFFAOYSA-N 0 0 305.422 2.184 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@@H](OC)c1cccc(Cl)c1 ZINC000186331575 402421761 /nfs/dbraw/zinc/42/17/61/402421761.db2.gz QGCMXEUTTHGNFY-ZIAGYGMSSA-N 0 0 312.797 2.264 10 30 DEEERN COC(=O)[C@@]1(C)CCCN1CCCOc1cccc(C#N)c1 ZINC000186393302 402428163 /nfs/dbraw/zinc/42/81/63/402428163.db2.gz OAJJJYAGVWAOGE-QGZVFWFLSA-N 0 0 302.374 2.355 10 30 DEEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)/C=C/c1ccccc1C#N ZINC000177721875 402430101 /nfs/dbraw/zinc/43/01/01/402430101.db2.gz DOUYXVQSDCUQRA-XVJNWHFHSA-N 0 0 307.357 2.123 10 30 DEEERN N#Cc1ccc(NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000163049449 402440136 /nfs/dbraw/zinc/44/01/36/402440136.db2.gz KMWBOIRYYFAYAI-GXSJLCMTSA-N 0 0 320.780 2.377 10 30 DEEERN COC(=O)C[C@@H](C)S(=O)(=O)Cc1ccc(C#N)cc1Cl ZINC000163125438 402442449 /nfs/dbraw/zinc/44/24/49/402442449.db2.gz MVQPPWCZFJXNKY-SECBINFHSA-N 0 0 315.778 2.078 10 30 DEEERN N#Cc1cc(F)ccc1NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000177921986 402444612 /nfs/dbraw/zinc/44/46/12/402444612.db2.gz DYLDTZXVLKEGHJ-ZDUSSCGKSA-N 0 0 314.324 2.158 10 30 DEEERN N#Cc1c[nH]c(C(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000186959435 402474002 /nfs/dbraw/zinc/47/40/02/402474002.db2.gz CQNWDIZJCMUQBS-UHFFFAOYSA-N 0 0 301.375 2.060 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000178390248 402493002 /nfs/dbraw/zinc/49/30/02/402493002.db2.gz AAJVFTNXNNPBCR-UHFFFAOYSA-N 0 0 306.325 2.148 10 30 DEEERN N#Cc1ccc(C2(C(=O)Nc3cccc(C(N)=O)c3)CC2)cc1 ZINC000187338008 402495254 /nfs/dbraw/zinc/49/52/54/402495254.db2.gz XYFFOIOEAJWHAB-UHFFFAOYSA-N 0 0 305.337 2.327 10 30 DEEERN C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178528624 402508129 /nfs/dbraw/zinc/50/81/29/402508129.db2.gz YRQXNUYQBVTTJC-AWEZNQCLSA-N 0 0 310.438 2.075 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000246722164 402541970 /nfs/dbraw/zinc/54/19/70/402541970.db2.gz LMRSXJNOJRKXLK-KWCYVHTRSA-N 0 0 300.358 2.322 10 30 DEEERN C=CCSCCNC(=O)C(=O)Nc1ccc(CC)c(F)c1 ZINC000179140389 402575168 /nfs/dbraw/zinc/57/51/68/402575168.db2.gz KGGAIVRRGFZAFF-UHFFFAOYSA-N 0 0 310.394 2.362 10 30 DEEERN C[C@@H](NC(=O)c1cc(C#N)cs1)c1nnc2n1CCCC2 ZINC000178601891 402515870 /nfs/dbraw/zinc/51/58/70/402515870.db2.gz JRLZENZGTGIVFD-SECBINFHSA-N 0 0 301.375 2.039 10 30 DEEERN N#Cc1ccc(CC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000178601628 402516150 /nfs/dbraw/zinc/51/61/50/402516150.db2.gz MZSRNLOAXWREQL-GOSISDBHSA-N 0 0 322.364 2.406 10 30 DEEERN N#Cc1ccc(CNC(=O)c2cn3ccnc3s2)c(F)c1 ZINC000188452041 402520228 /nfs/dbraw/zinc/52/02/28/402520228.db2.gz NODXJGGUTJZCRN-UHFFFAOYSA-N 0 0 300.318 2.337 10 30 DEEERN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N1CCO[C@H](C#N)C1 ZINC000171575778 402596426 /nfs/dbraw/zinc/59/64/26/402596426.db2.gz QSFXSMXHRQLPNZ-DOTOQJQBSA-N 0 0 315.417 2.036 10 30 DEEERN C=CCSCCNC(=O)N1CCN(CC(F)F)[C@H](CC)C1 ZINC000179644526 402596861 /nfs/dbraw/zinc/59/68/61/402596861.db2.gz GKUFVEKDYOFVDM-GFCCVEGCSA-N 0 0 321.437 2.277 10 30 DEEERN CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000180833543 402627568 /nfs/dbraw/zinc/62/75/68/402627568.db2.gz SWIJJSCBSBTGLP-CYBMUJFWSA-N 0 0 319.405 2.117 10 30 DEEERN C[C@H](NC(=O)NCCCCC#N)c1ccc(S(C)(=O)=O)cc1 ZINC000171728080 402615673 /nfs/dbraw/zinc/61/56/73/402615673.db2.gz JKXDGJOBEDYJAY-LBPRGKRZSA-N 0 0 323.418 2.144 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000180947269 402630838 /nfs/dbraw/zinc/63/08/38/402630838.db2.gz PJNIFUMRUDJPFL-CHWSQXEVSA-N 0 0 321.425 2.303 10 30 DEEERN CC(C)[C@@H](C)CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000172507100 402659421 /nfs/dbraw/zinc/65/94/21/402659421.db2.gz YIFLPZDKWDRWFB-AWEZNQCLSA-N 0 0 315.421 2.077 10 30 DEEERN C[C@@H](COCc1ccccc1)NS(=O)(=O)CCCCC#N ZINC000173791852 402712804 /nfs/dbraw/zinc/71/28/04/402712804.db2.gz JHNMWYRQGCPWHC-AWEZNQCLSA-N 0 0 310.419 2.205 10 30 DEEERN CCc1cnc(CCNS(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000173806633 402713410 /nfs/dbraw/zinc/71/34/10/402713410.db2.gz BXSLGHCAEDRUNB-UHFFFAOYSA-N 0 0 321.427 2.098 10 30 DEEERN Cn1c2ccccc2c(C=Nn2nnnc2N)c1-c1ccccc1 ZINC000254382562 402670726 /nfs/dbraw/zinc/67/07/26/402670726.db2.gz FFEAISGLWXLUNJ-UHFFFAOYSA-N 0 0 317.356 2.296 10 30 DEEERN C=CCOCCCC(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000173030530 402683454 /nfs/dbraw/zinc/68/34/54/402683454.db2.gz GGQZZRJZMXNSPC-MRXNPFEDSA-N 0 0 314.389 2.302 10 30 DEEERN Cc1cccc(-n2nc(C#N)c(N3CCCC[C@H]3CCO)n2)c1 ZINC000256046606 402699541 /nfs/dbraw/zinc/69/95/41/402699541.db2.gz HBDSUCVLGNCLQP-AWEZNQCLSA-N 0 0 311.389 2.189 10 30 DEEERN C=CCCCC(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000175585570 402819616 /nfs/dbraw/zinc/81/96/16/402819616.db2.gz UYGWBLPRNLPSLI-UHFFFAOYSA-N 0 0 304.438 2.294 10 30 DEEERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1ccc(C#N)cc1 ZINC000175727212 402826532 /nfs/dbraw/zinc/82/65/32/402826532.db2.gz DQMCBXZBAXPRSM-LBPRGKRZSA-N 0 0 302.374 2.289 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(C)cc1OCCOC ZINC000184297602 402833735 /nfs/dbraw/zinc/83/37/35/402833735.db2.gz HJGBCWLQJMLMDY-CYBMUJFWSA-N 0 0 308.378 2.079 10 30 DEEERN C[C@H](Oc1cccnc1)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000184335091 402835896 /nfs/dbraw/zinc/83/58/96/402835896.db2.gz FLTRLQZXQMZNGQ-ZDUSSCGKSA-N 0 0 323.352 2.010 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)CCc2ccoc2)cn1 ZINC000183656377 402785737 /nfs/dbraw/zinc/78/57/37/402785737.db2.gz LLXVKPDLWKAKHG-UHFFFAOYSA-N 0 0 307.313 2.303 10 30 DEEERN COC(=O)CCN(Cc1ccccc1)C(=O)c1cc(C#N)c[nH]1 ZINC000175189589 402786352 /nfs/dbraw/zinc/78/63/52/402786352.db2.gz XSSQGZMGKPXJDX-UHFFFAOYSA-N 0 0 311.341 2.092 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000183662541 402786643 /nfs/dbraw/zinc/78/66/43/402786643.db2.gz DOROOHOIPTVMOQ-GDBMZVCRSA-N 0 0 320.389 2.303 10 30 DEEERN C#CCOc1cccc(NC(=O)C(=O)NCC2CCCCC2)c1 ZINC000264545322 402888087 /nfs/dbraw/zinc/88/80/87/402888087.db2.gz NPEMLJFZLCEIOH-UHFFFAOYSA-N 0 0 314.385 2.334 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000273380098 402999681 /nfs/dbraw/zinc/99/96/81/402999681.db2.gz AXWLBYBSGDHQFS-ZCFIWIBFSA-N 0 0 316.231 2.270 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000273565299 403015648 /nfs/dbraw/zinc/01/56/48/403015648.db2.gz JGSKHJIRRNOLIH-GFCCVEGCSA-N 0 0 321.352 2.011 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000280860066 403044239 /nfs/dbraw/zinc/04/42/39/403044239.db2.gz BKPTUXUSNOZSGE-HIFRSBDPSA-N 0 0 319.405 2.184 10 30 DEEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1c(CC)cc(C)cc1CC ZINC000281036178 403057428 /nfs/dbraw/zinc/05/74/28/403057428.db2.gz NKOIZGYIWPFULK-OAHLLOKOSA-N 0 0 318.417 2.112 10 30 DEEERN C#CCOc1ccccc1CNC(=O)c1cnn2c1CCCC2 ZINC000269714070 403159810 /nfs/dbraw/zinc/15/98/10/403159810.db2.gz PLRMHIAJUPGGLZ-UHFFFAOYSA-N 0 0 309.369 2.161 10 30 DEEERN C=CCn1c(-c2cccn2C)nnc1N1CCS[C@@H](C)C1 ZINC000282295755 403140847 /nfs/dbraw/zinc/14/08/47/403140847.db2.gz OEDVTUAIKOIJTL-LBPRGKRZSA-N 0 0 303.435 2.411 10 30 DEEERN C=CCCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000276209446 403154174 /nfs/dbraw/zinc/15/41/74/403154174.db2.gz HLNAOFYLSMSWTQ-CQSZACIVSA-N 0 0 304.415 2.236 10 30 DEEERN C#CCOc1ccccc1CN1C(=O)[C@@H]2[C@@H]3CCC[C@@H]3CN2C1=O ZINC000277433451 403217020 /nfs/dbraw/zinc/21/70/20/403217020.db2.gz BOBBOHNDSIBTKL-UNEWFSDZSA-N 0 0 324.380 2.261 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000277707791 403247681 /nfs/dbraw/zinc/24/76/81/403247681.db2.gz IJFVHSQVMPKGSS-UHFFFAOYSA-N 0 0 315.366 2.199 10 30 DEEERN CN1c2ccc(NC(=O)Cc3cccc(C#N)c3)cc2CC1=O ZINC000566830824 292270474 /nfs/dbraw/zinc/27/04/74/292270474.db2.gz MMUVPJHWYODJNV-UHFFFAOYSA-N 0 0 305.337 2.258 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000298727644 403449377 /nfs/dbraw/zinc/44/93/77/403449377.db2.gz OSYQURYUQXARQZ-CYBMUJFWSA-N 0 0 322.430 2.073 10 30 DEEERN C=CCCOCCNC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000293426901 403469470 /nfs/dbraw/zinc/46/94/70/403469470.db2.gz LJGHUMZQBYOMSJ-UHFFFAOYSA-N 0 0 302.374 2.239 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1cnn(C)c1C ZINC000286790154 403545706 /nfs/dbraw/zinc/54/57/06/403545706.db2.gz RSXNBAKBNJFBDO-KRWDZBQOSA-N 0 0 310.401 2.162 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](CO)CC(C)C ZINC000287370259 403584756 /nfs/dbraw/zinc/58/47/56/403584756.db2.gz MJECGWWJIDBFMH-IRXDYDNUSA-N 0 0 302.418 2.327 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(c2cc(C)ccn2)CC1 ZINC000346247517 403581986 /nfs/dbraw/zinc/58/19/86/403581986.db2.gz OMPFLTTYMBHILT-NVXWUHKLSA-N 0 0 315.417 2.020 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1cnn(C)c1 ZINC000287484305 403607923 /nfs/dbraw/zinc/60/79/23/403607923.db2.gz QOIOZOGKXROXBV-YOEHRIQHSA-N 0 0 310.401 2.415 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000287619863 403637239 /nfs/dbraw/zinc/63/72/39/403637239.db2.gz BCADKIICLSGQSH-HNNXBMFYSA-N 0 0 303.402 2.230 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCC[C@H]1CCO ZINC000287723266 403654854 /nfs/dbraw/zinc/65/48/54/403654854.db2.gz NWPOHHNWGLRUFA-KSZLIROESA-N 0 0 314.429 2.471 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1nc2ccccc2n1CCOC ZINC000287798529 403669527 /nfs/dbraw/zinc/66/95/27/403669527.db2.gz LEIFCXIZYQSEOK-UHFFFAOYSA-N 0 0 309.369 2.284 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000288014006 403709067 /nfs/dbraw/zinc/70/90/67/403709067.db2.gz CBFXMKWIVHVJLE-KSZLIROESA-N 0 0 314.429 2.423 10 30 DEEERN Cc1cc(N2CCN(C(=O)C3CCCC3)CC2)c(C#N)c(C)n1 ZINC000301750001 403673746 /nfs/dbraw/zinc/67/37/46/403673746.db2.gz AJAXPRBOEYCROC-UHFFFAOYSA-N 0 0 312.417 2.409 10 30 DEEERN C=CC[C@@H](CO)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000302163404 403709408 /nfs/dbraw/zinc/70/94/08/403709408.db2.gz ZCRYBJFVUCQBHN-QMMMGPOBSA-N 0 0 302.128 2.101 10 30 DEEERN N#Cc1ccc(N2CCC[C@H](Oc3ccc(Cl)cn3)C2)nn1 ZINC000301912124 403699650 /nfs/dbraw/zinc/69/96/50/403699650.db2.gz BVBGLGBOLVVSQX-ZDUSSCGKSA-N 0 0 315.764 2.444 10 30 DEEERN C=CCCCCCN(C)C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000347427275 403705827 /nfs/dbraw/zinc/70/58/27/403705827.db2.gz FEAIDCAGSUDDIO-ZDUSSCGKSA-N 0 0 316.467 2.340 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCOC[C@H]1C1CC1 ZINC000288244737 403743319 /nfs/dbraw/zinc/74/33/19/403743319.db2.gz SJYHMABQYANCDR-ROUUACIJSA-N 0 0 312.413 2.441 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC(Oc2ccncc2C)CC1 ZINC000288565482 403758910 /nfs/dbraw/zinc/75/89/10/403758910.db2.gz WDYOBLHPNRVMDF-UHFFFAOYSA-N 0 0 310.397 2.423 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000341430086 403966365 /nfs/dbraw/zinc/96/63/65/403966365.db2.gz ILYLMSDNWHBLMD-CVEARBPZSA-N 0 0 309.454 2.237 10 30 DEEERN C=CCN(C(=O)CC(C)(C)CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000362752614 403984307 /nfs/dbraw/zinc/98/43/07/403984307.db2.gz NXVDJAGWQXUKPR-CYBMUJFWSA-N 0 0 301.452 2.405 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@H]1C(C)C ZINC000289678309 403991814 /nfs/dbraw/zinc/99/18/14/403991814.db2.gz NEBRTSVVECGPFR-KBPBESRZSA-N 0 0 306.410 2.177 10 30 DEEERN C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC[C@@H]1C ZINC000289769316 403997700 /nfs/dbraw/zinc/99/77/00/403997700.db2.gz SEHDCNAKWMJCAF-ZDUSSCGKSA-N 0 0 309.373 2.228 10 30 DEEERN C=C[C@@H](C)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000362611446 403973703 /nfs/dbraw/zinc/97/37/03/403973703.db2.gz CFWRKNHGVVGZOE-LLVKDONJSA-N 0 0 316.382 2.039 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1(CO)CC1 ZINC000354865965 404065953 /nfs/dbraw/zinc/06/59/53/404065953.db2.gz YLCHBVGSXPBRFI-UHFFFAOYSA-N 0 0 316.401 2.118 10 30 DEEERN O=C(Cc1ccoc1)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000328620781 404117621 /nfs/dbraw/zinc/11/76/21/404117621.db2.gz ACJNZCMBICJURW-STQMWFEESA-N 0 0 304.325 2.186 10 30 DEEERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(OC)c(F)c2)C1 ZINC000328643579 404121336 /nfs/dbraw/zinc/12/13/36/404121336.db2.gz RLGXTGHYVNWHMA-UHFFFAOYSA-N 0 0 324.352 2.076 10 30 DEEERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCOC1 ZINC000329121252 404235923 /nfs/dbraw/zinc/23/59/23/404235923.db2.gz QISDMLPZDUYIPE-JHJVBQTASA-N 0 0 303.424 2.115 10 30 DEEERN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCCC1)c1ncon1 ZINC000329226131 404271650 /nfs/dbraw/zinc/27/16/50/404271650.db2.gz ACNPTZXNQSCIDP-JQWIXIFHSA-N 0 0 306.366 2.268 10 30 DEEERN C#Cc1ccc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000296496234 404275098 /nfs/dbraw/zinc/27/50/98/404275098.db2.gz NIKUIEWNDKZGQL-BBWFWOEESA-N 0 0 310.397 2.425 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)N[C@@H](C)c1ccncc1OC ZINC000352325049 404290134 /nfs/dbraw/zinc/29/01/34/404290134.db2.gz MDRBOQHDPIAJNB-OLZOCXBDSA-N 0 0 319.405 2.128 10 30 DEEERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)C1CCC(=O)CC1 ZINC000329494585 404355508 /nfs/dbraw/zinc/35/55/08/404355508.db2.gz UOUNRMJDRKRDPY-CHWSQXEVSA-N 0 0 301.408 2.058 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000342029113 404322322 /nfs/dbraw/zinc/32/23/22/404322322.db2.gz VQSTUJLRHJXDOQ-SNVBAGLBSA-N 0 0 306.328 2.210 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000356016902 404385946 /nfs/dbraw/zinc/38/59/46/404385946.db2.gz ZVAOSWLJZYBJTG-LSDHHAIUSA-N 0 0 324.465 2.369 10 30 DEEERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@@H]2CCCCC2(C)C)nn1 ZINC000329655618 404411453 /nfs/dbraw/zinc/41/14/53/404411453.db2.gz MHQSOHWNMNUGMM-MGPQQGTHSA-N 0 0 322.409 2.138 10 30 DEEERN C=CC[C@H](C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccccc1 ZINC000364493022 404420124 /nfs/dbraw/zinc/42/01/24/404420124.db2.gz XOHWEHWBYQGINN-ORQFMDKSSA-N 0 0 312.413 2.472 10 30 DEEERN CO[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCCn3cc(C)nc32)C1 ZINC000329924365 404496933 /nfs/dbraw/zinc/49/69/33/404496933.db2.gz UYJLGBHZNLTEQI-MELADBBJSA-N 0 0 306.410 2.140 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCCN(C(=O)CCC)CC1 ZINC000372464632 404500624 /nfs/dbraw/zinc/50/06/24/404500624.db2.gz RCHRTXNSXRPLOU-QGZVFWFLSA-N 0 0 310.438 2.076 10 30 DEEERN CO[C@@H](C(=O)N1CCC[C@@H](c2n[nH]cc2NC(C)=O)C1)C1CC1 ZINC000329956377 404507313 /nfs/dbraw/zinc/50/73/13/404507313.db2.gz PLIPFRJOKJDCRP-IUODEOHRSA-N 0 0 320.393 2.149 10 30 DEEERN C#CCOc1ccc(CNC(=O)N2CCCSCC2)cc1 ZINC000297226927 404509161 /nfs/dbraw/zinc/50/91/61/404509161.db2.gz ZUJNHHNYMLAFEC-UHFFFAOYSA-N 0 0 304.415 2.347 10 30 DEEERN Cc1ccc2nc(CNC(=O)N3CCO[C@H](C4CC4)C3)cn2c1 ZINC000329738158 404437401 /nfs/dbraw/zinc/43/74/01/404437401.db2.gz MPJGGUMVVLQVHZ-HNNXBMFYSA-N 0 0 314.389 2.168 10 30 DEEERN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CCc2cncnc2C1 ZINC000330211937 404588228 /nfs/dbraw/zinc/58/82/28/404588228.db2.gz JQVLESYFATZALS-ZBFHGGJFSA-N 0 0 318.421 2.200 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CC[C@](CO)(CCC)C2)cc1 ZINC000297685226 404590164 /nfs/dbraw/zinc/59/01/64/404590164.db2.gz PZVURKUOJJVAGU-GOSISDBHSA-N 0 0 300.402 2.362 10 30 DEEERN O=C(NCc1ccc(C2CC2)cc1)N1CCC[C@H](OCCO)C1 ZINC000330037061 404534071 /nfs/dbraw/zinc/53/40/71/404534071.db2.gz DALYQULXSRHNPB-KRWDZBQOSA-N 0 0 318.417 2.451 10 30 DEEERN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CCO[C@H](C2CC2)C1 ZINC000330142010 404563804 /nfs/dbraw/zinc/56/38/04/404563804.db2.gz QHPLPRWENPALRY-JONQDZQNSA-N 0 0 320.433 2.359 10 30 DEEERN C[S@@](=O)Cc1ccccc1NC(=O)N1CCO[C@@H](C2CC2)C1 ZINC000330152068 404566282 /nfs/dbraw/zinc/56/62/82/404566282.db2.gz WNEWBIMJMUHKBM-IVZQSRNASA-N 0 0 322.430 2.221 10 30 DEEERN O=C(NC[C@@H]1Cc2ccccc2O1)N1CCO[C@@H](C2CC2)C1 ZINC000330150600 404566981 /nfs/dbraw/zinc/56/69/81/404566981.db2.gz VVKPSTMEAVJJSK-GOEBONIOSA-N 0 0 302.374 2.015 10 30 DEEERN O=C(NCc1ccc2c(c1)COC2)N1CCO[C@@H](C2CC2)C1 ZINC000330158229 404569301 /nfs/dbraw/zinc/56/93/01/404569301.db2.gz ZRIXHYLDOWKPSD-MRXNPFEDSA-N 0 0 302.374 2.242 10 30 DEEERN C=CCOc1cccnc1-c1nc([C@H]2CC(=O)N(CC)C2)no1 ZINC000351384448 404569770 /nfs/dbraw/zinc/56/97/70/404569770.db2.gz HDSMBBLZNJLVCL-NSHDSACASA-N 0 0 314.345 2.032 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H](c2nc(C)no2)C1 ZINC000330273007 404609963 /nfs/dbraw/zinc/60/99/63/404609963.db2.gz YNVUMKYXLIFZKP-MGPQQGTHSA-N 0 0 305.378 2.065 10 30 DEEERN C=CCCN(C)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000342533511 404636946 /nfs/dbraw/zinc/63/69/46/404636946.db2.gz JVJUSORLLHYAPV-HNNXBMFYSA-N 0 0 301.390 2.400 10 30 DEEERN C=CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](CF)C1 ZINC000414531465 404669553 /nfs/dbraw/zinc/66/95/53/404669553.db2.gz TWZSBVKCNIKFBY-ZDUSSCGKSA-N 0 0 322.409 2.291 10 30 DEEERN C=C(C)[C@H](CC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)OCC ZINC000358222989 404756710 /nfs/dbraw/zinc/75/67/10/404756710.db2.gz LBSGOCWCJWZMHQ-WMLDXEAASA-N 0 0 311.422 2.154 10 30 DEEERN C=C(CNC(=O)NCC[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000358566844 404767505 /nfs/dbraw/zinc/76/75/05/404767505.db2.gz CHTOWCZGJZPWFA-GFCCVEGCSA-N 0 0 302.296 2.312 10 30 DEEERN C=CCOc1ccc(CN2CC(=O)N[C@H]3CCCC[C@H]32)cc1 ZINC000352973304 404707882 /nfs/dbraw/zinc/70/78/82/404707882.db2.gz ABZLHYNZCVZHJX-DLBZAZTESA-N 0 0 300.402 2.494 10 30 DEEERN COCCOc1ccc(C(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000356965136 404722662 /nfs/dbraw/zinc/72/26/62/404722662.db2.gz AUWWARFAJVVECY-UHFFFAOYSA-N 0 0 302.374 2.478 10 30 DEEERN CC1(C#N)CCN(C(=O)CCNC(=O)C2CCCCC2)CC1 ZINC000356965245 404723093 /nfs/dbraw/zinc/72/30/93/404723093.db2.gz BDHWOQSXGYOHTE-UHFFFAOYSA-N 0 0 305.422 2.225 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N[C@@](C)(CO)C(C)C)cc1 ZINC000353035344 404727866 /nfs/dbraw/zinc/72/78/66/404727866.db2.gz QDBDMYVBBDPFHJ-KRWDZBQOSA-N 0 0 319.405 2.131 10 30 DEEERN C=CCOC[C@H](NC(=O)c1cccc(SCC)c1)C(=O)OC ZINC000360736561 404836119 /nfs/dbraw/zinc/83/61/19/404836119.db2.gz KBNZUOYPOCKBDD-AWEZNQCLSA-N 0 0 323.414 2.273 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](C)CCc1ccc(C)o1 ZINC000359261343 404788768 /nfs/dbraw/zinc/78/87/68/404788768.db2.gz LYYMDGLGSGKLHK-CYBMUJFWSA-N 0 0 306.406 2.450 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCc1nnc(C2CCC2)n1C)OCC ZINC000359733350 404803652 /nfs/dbraw/zinc/80/36/52/404803652.db2.gz VEJLHPTWWHUSQK-CYBMUJFWSA-N 0 0 306.410 2.070 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000366674835 404829625 /nfs/dbraw/zinc/82/96/25/404829625.db2.gz AJFDEJYWMHAZIZ-CVYDXHPNSA-N 0 0 322.449 2.304 10 30 DEEERN C=CCCO[C@@H](C)C(=O)Nc1cc(C)nn1C1CCOCC1 ZINC000434327880 404883314 /nfs/dbraw/zinc/88/33/14/404883314.db2.gz RLLJFOXRKIZGMF-ZDUSSCGKSA-N 0 0 307.394 2.463 10 30 DEEERN C=CCOCCCC(=O)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000366802621 404849621 /nfs/dbraw/zinc/84/96/21/404849621.db2.gz QQPLIUVOPNCSHQ-HLLBOEOZSA-N 0 0 311.422 2.154 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccnn1C ZINC000435753739 405010552 /nfs/dbraw/zinc/01/05/52/405010552.db2.gz SJWYDDFOATZXGH-UHFFFAOYSA-N 0 0 314.345 2.086 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC000367349948 405020266 /nfs/dbraw/zinc/02/02/66/405020266.db2.gz WIUWIHFBQGTZSG-DLBZAZTESA-N 0 0 307.397 2.196 10 30 DEEERN C=CCOC[C@H](NC(=O)C/C=C\c1ccc(F)cc1)C(=O)OC ZINC000435932931 405028823 /nfs/dbraw/zinc/02/88/23/405028823.db2.gz DOPYKRWYZUUFHK-XVWMLYKFSA-N 0 0 321.348 2.089 10 30 DEEERN COCCOc1ccc(CC(=O)Nc2cc(C#N)ccn2)cc1 ZINC000436006243 405035945 /nfs/dbraw/zinc/03/59/45/405035945.db2.gz IQAWALJAEYRRHY-UHFFFAOYSA-N 0 0 311.341 2.160 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)c2cccc(SC)c2)C1=O ZINC000451425605 404991401 /nfs/dbraw/zinc/99/14/01/404991401.db2.gz UZYOTDRTPIFJTQ-AWEZNQCLSA-N 0 0 304.415 2.267 10 30 DEEERN C=CC(C)(C)CNS(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000451808794 405046717 /nfs/dbraw/zinc/04/67/17/405046717.db2.gz HHFNGATWNNSFGA-UHFFFAOYSA-N 0 0 315.391 2.174 10 30 DEEERN Cc1oc(C#N)cc1C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000436165862 405053858 /nfs/dbraw/zinc/05/38/58/405053858.db2.gz AKVZCMVIUPZXLI-LBPRGKRZSA-N 0 0 312.325 2.420 10 30 DEEERN CN(C(=O)[C@H]1CCN(c2ccncc2C#N)C1)c1ccccc1 ZINC000367466346 405058680 /nfs/dbraw/zinc/05/86/80/405058680.db2.gz VMKJUYSCRQABLI-AWEZNQCLSA-N 0 0 306.369 2.443 10 30 DEEERN C[C@@H](CC(=O)N1CCN(C(=O)CC#N)CC1)C1CCCCC1 ZINC000408061308 405101248 /nfs/dbraw/zinc/10/12/48/405101248.db2.gz FONZYABUMGPOCE-AWEZNQCLSA-N 0 0 305.422 2.177 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N1CC[C@H](O)C1(C)C ZINC000361473046 405089266 /nfs/dbraw/zinc/08/92/66/405089266.db2.gz HJUZPAPACCNFEW-HNNXBMFYSA-N 0 0 304.390 2.306 10 30 DEEERN CC#CCCNC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000361507074 405106913 /nfs/dbraw/zinc/10/69/13/405106913.db2.gz BZLDERXCDLPXJL-LBPRGKRZSA-N 0 0 307.344 2.256 10 30 DEEERN C=CCCn1cc(C(=O)N[C@H](C)c2ccccc2OC)nn1 ZINC000424542175 405113205 /nfs/dbraw/zinc/11/32/05/405113205.db2.gz KYORJGRAFKPRHJ-GFCCVEGCSA-N 0 0 300.362 2.354 10 30 DEEERN C=CCC1(C(=O)NC[C@@H](c2ccco2)N(C)C)CCOCC1 ZINC000424545139 405114256 /nfs/dbraw/zinc/11/42/56/405114256.db2.gz OIKUMGKUXHAZFQ-AWEZNQCLSA-N 0 0 306.406 2.371 10 30 DEEERN C=CCC1(C(=O)Nc2ccc(C(N)=O)cc2F)CCOCC1 ZINC000424689250 405150541 /nfs/dbraw/zinc/15/05/41/405150541.db2.gz DJUWSEQKFLXATN-UHFFFAOYSA-N 0 0 306.337 2.236 10 30 DEEERN C=CCC1(C(=O)NCc2ccc(CO)c(F)c2)CCOCC1 ZINC000424741569 405165314 /nfs/dbraw/zinc/16/53/14/405165314.db2.gz SXJANHWRRVNKRT-UHFFFAOYSA-N 0 0 307.365 2.307 10 30 DEEERN C=C(Cl)CN1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000367863013 405178003 /nfs/dbraw/zinc/17/80/03/405178003.db2.gz LYYQLYLHLQYPDV-CHWSQXEVSA-N 0 0 306.793 2.248 10 30 DEEERN C=CCC1(C(=O)N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)CCOCC1 ZINC000424847828 405195725 /nfs/dbraw/zinc/19/57/25/405195725.db2.gz GKYGTCRKDQBKEY-HDMKZQKVSA-N 0 0 323.433 2.154 10 30 DEEERN C=CCC1(C(=O)N2C[C@H](C)OC3(CCOCC3)C2)CCOCC1 ZINC000424859165 405198101 /nfs/dbraw/zinc/19/81/01/405198101.db2.gz UHJPBLXJNATBFB-HNNXBMFYSA-N 0 0 323.433 2.156 10 30 DEEERN C=CCC1(C(=O)N2CC[C@H]([C@@H](O)C(F)(F)F)C2)CCOCC1 ZINC000424868949 405200590 /nfs/dbraw/zinc/20/05/90/405200590.db2.gz VAFLDSGDFJQDAH-NWDGAFQWSA-N 0 0 321.339 2.131 10 30 DEEERN CC(=O)N[C@@H]1CCCN(c2cccc(Br)c2C#N)C1 ZINC000408423272 405203483 /nfs/dbraw/zinc/20/34/83/405203483.db2.gz XOGBUSBVXJBRTJ-LLVKDONJSA-N 0 0 322.206 2.426 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000452241719 405204915 /nfs/dbraw/zinc/20/49/15/405204915.db2.gz CHEFHUFMWJLFIX-OLZOCXBDSA-N 0 0 307.415 2.276 10 30 DEEERN C=CCn1cc(CNC(=O)[C@@]2(C)CCCc3ccccc32)nn1 ZINC000424907597 405210217 /nfs/dbraw/zinc/21/02/17/405210217.db2.gz KJXJGCAJQNCMJU-SFHVURJKSA-N 0 0 310.401 2.375 10 30 DEEERN C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000408333984 405176478 /nfs/dbraw/zinc/17/64/78/405176478.db2.gz KIOCENMWZCMOHX-IAOVAPTHSA-N 0 0 314.385 2.273 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC[C@H](CO)[C@H]2CC)cc1OC ZINC000452944684 405263599 /nfs/dbraw/zinc/26/35/99/405263599.db2.gz VHSYDMOHTGYGPS-HUUCEWRRSA-N 0 0 319.401 2.493 10 30 DEEERN Cc1cc(C#N)nc(N[C@@H](CO)Cc2c[nH]c3ccccc23)n1 ZINC000439171332 405268957 /nfs/dbraw/zinc/26/89/57/405268957.db2.gz SFXAHHGBYLSJAQ-CQSZACIVSA-N 0 0 307.357 2.154 10 30 DEEERN C=C(C)CCNC(=O)CNC(=O)c1cc2c(s1)CCCC2 ZINC000452725295 405233994 /nfs/dbraw/zinc/23/39/94/405233994.db2.gz SFXPTOHNVVTNCX-UHFFFAOYSA-N 0 0 306.431 2.439 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000425879617 405326092 /nfs/dbraw/zinc/32/60/92/405326092.db2.gz JAHDPEYHXXISFD-QXSJWSMHSA-N 0 0 322.449 2.025 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCC(C)(C)C1 ZINC000425910697 405328925 /nfs/dbraw/zinc/32/89/25/405328925.db2.gz XMLJGYGVBLOKIX-KKUMJFAQSA-N 0 0 322.449 2.026 10 30 DEEERN Cc1csc(C2(NS(=O)(=O)c3ccc(C#N)o3)CCC2)n1 ZINC000568519500 292347448 /nfs/dbraw/zinc/34/74/48/292347448.db2.gz JAWONGQKIAZANR-UHFFFAOYSA-N 0 0 323.399 2.274 10 30 DEEERN C=C(CC)CNC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000454039702 405293965 /nfs/dbraw/zinc/29/39/65/405293965.db2.gz JHPGCNZCGCZWIF-JTQLQIEISA-N 0 0 307.419 2.289 10 30 DEEERN C=CCC[C@H](CO)NC(=O)C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000454061575 405295604 /nfs/dbraw/zinc/29/56/04/405295604.db2.gz SRGBNXKMXTYEBF-CYBMUJFWSA-N 0 0 320.364 2.085 10 30 DEEERN C=CC[C@H](CC)NC(=O)C(=O)N1CCc2cc(F)c(F)cc21 ZINC000440236526 405307367 /nfs/dbraw/zinc/30/73/67/405307367.db2.gz DVAAAHKLESOAEU-NSHDSACASA-N 0 0 308.328 2.325 10 30 DEEERN C=CCSCCNC(=O)N[C@H](c1nc[nH]n1)c1ccccc1 ZINC000446520395 405383456 /nfs/dbraw/zinc/38/34/56/405383456.db2.gz YACCGSHMVSJGQB-ZDUSSCGKSA-N 0 0 317.418 2.113 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@@](C)(CO)C(C)C)cc1OC ZINC000427385604 405402779 /nfs/dbraw/zinc/40/27/79/405402779.db2.gz XQNPIPBAJOZVSX-KRWDZBQOSA-N 0 0 307.390 2.397 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N[C@H]2COCC2(C)C)cc1 ZINC000454535748 405359846 /nfs/dbraw/zinc/35/98/46/405359846.db2.gz ZIYSSBKJNRQFAC-AWEZNQCLSA-N 0 0 317.389 2.149 10 30 DEEERN C[C@@H](CNC(=O)c1ccc(C#N)n1C)COCc1ccccc1 ZINC000448778150 405447413 /nfs/dbraw/zinc/44/74/13/405447413.db2.gz SDRRWQIHWMMQEI-AWEZNQCLSA-N 0 0 311.385 2.479 10 30 DEEERN C[C@@H]1CN(C(=O)c2ccc(C#N)n2C)C[C@@H](c2ccccc2)O1 ZINC000448792147 405449112 /nfs/dbraw/zinc/44/91/12/405449112.db2.gz HQPFRVOLWVBBRL-DYVFJYSZSA-N 0 0 309.369 2.499 10 30 DEEERN C=CC(C)(C)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000448827042 405452670 /nfs/dbraw/zinc/45/26/70/405452670.db2.gz AKEBYJZUNTVDPB-UHFFFAOYSA-N 0 0 304.394 2.093 10 30 DEEERN C=CCn1c(N2CCC[C@](C)(OC)C2)nnc1[C@@]1(C)CCCO1 ZINC000556444525 405482398 /nfs/dbraw/zinc/48/23/98/405482398.db2.gz FJQOZGQAUHSAFS-DLBZAZTESA-N 0 0 320.437 2.495 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000577863523 405529673 /nfs/dbraw/zinc/52/96/73/405529673.db2.gz FTUOKBKDMNARKS-XIRDDKMYSA-N 0 0 316.401 2.440 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C(C)(C)C)cn2)C1=O ZINC000421539403 405533740 /nfs/dbraw/zinc/53/37/40/405533740.db2.gz IQLMCRHUGNCESG-HNNXBMFYSA-N 0 0 315.417 2.238 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCc2ccccc2CC1 ZINC000556798032 405534787 /nfs/dbraw/zinc/53/47/87/405534787.db2.gz YOARHPNTUAPGCK-UHFFFAOYSA-N 0 0 300.402 2.038 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000633410747 405628439 /nfs/dbraw/zinc/62/84/39/405628439.db2.gz BPBOPCRAYIJAFE-STQMWFEESA-N 0 0 318.483 2.442 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000633410226 405628497 /nfs/dbraw/zinc/62/84/97/405628497.db2.gz 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/nfs/dbraw/zinc/74/85/23/405748523.db2.gz AIKQYYXMNDHNRG-QGZVFWFLSA-N 0 0 323.396 2.371 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COc2ccc(O)cc2O1 ZINC000633646382 405765419 /nfs/dbraw/zinc/76/54/19/405765419.db2.gz CPVKXWPFWLYEGU-BFQNTYOBSA-N 0 0 301.342 2.242 10 30 DEEERN COC[C@H](NC(=O)c1ccc(C#N)n1C)c1ccc(F)c(F)c1 ZINC000450391530 405872362 /nfs/dbraw/zinc/87/23/62/405872362.db2.gz NEJONDQGJYJJRA-AWEZNQCLSA-N 0 0 319.311 2.292 10 30 DEEERN CC(C)(CC#N)CNC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000459541567 405947331 /nfs/dbraw/zinc/94/73/31/405947331.db2.gz GMAJAWYAHXIEIX-UHFFFAOYSA-N 0 0 300.362 2.485 10 30 DEEERN C=CCNC(=O)CNC(=O)c1ccc(OC(C)C)cc1Cl ZINC000457687121 405950626 /nfs/dbraw/zinc/95/06/26/405950626.db2.gz HKBOCPAXNLSPLF-UHFFFAOYSA-N 0 0 310.781 2.159 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCC1(NC(=O)[C@H](C)CC(=C)C)COC1 ZINC000633918071 405906342 /nfs/dbraw/zinc/90/63/42/405906342.db2.gz ZWFAOFCSNNKSPO-HUUCEWRRSA-N 0 0 322.449 2.192 10 30 DEEERN C=CC[C@@H]1CCCN(Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000639310148 406037184 /nfs/dbraw/zinc/03/71/84/406037184.db2.gz ONEQVXLKSISAPC-LLVKDONJSA-N 0 0 300.449 2.184 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000636817483 406090557 /nfs/dbraw/zinc/09/05/57/406090557.db2.gz UZZVRCIMMBWERN-UONOGXRCSA-N 0 0 324.465 2.415 10 30 DEEERN CC#CCNC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000632196015 406044161 /nfs/dbraw/zinc/04/41/61/406044161.db2.gz NRIULUOZKKWTRR-HZSPNIEDSA-N 0 0 304.187 2.474 10 30 DEEERN C=C(C)COCCNC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000532149754 406051168 /nfs/dbraw/zinc/05/11/68/406051168.db2.gz ZTCFWNFZVYNICB-UHFFFAOYSA-N 0 0 320.364 2.253 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](CC)c1ccncc1 ZINC000636695822 406056891 /nfs/dbraw/zinc/05/68/91/406056891.db2.gz XJHSUQZPOURCSO-CQSZACIVSA-N 0 0 303.406 2.367 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC1([C@@H]2CCCCO2)CCC1 ZINC000634332896 406102294 /nfs/dbraw/zinc/10/22/94/406102294.db2.gz 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/nfs/dbraw/zinc/07/95/18/406079518.db2.gz WFKLTXUVELSPIW-UHFFFAOYSA-N 0 0 313.357 2.465 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N[C@H](c1ccccn1)C1CCC1 ZINC000637070900 406167194 /nfs/dbraw/zinc/16/71/94/406167194.db2.gz PTXVXMXWTTXZJG-INIZCTEOSA-N 0 0 313.401 2.240 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@H]1C1CCC1 ZINC000516817543 406105896 /nfs/dbraw/zinc/10/58/96/406105896.db2.gz BJSFXSLTQWLWHO-GJZGRUSLSA-N 0 0 318.421 2.321 10 30 DEEERN C=C1CCN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)CC1 ZINC000532960115 406111604 /nfs/dbraw/zinc/11/16/04/406111604.db2.gz UHPCIFWJFAXJPA-UHFFFAOYSA-N 0 0 313.401 2.402 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1ccncc1CC ZINC000636888681 406114282 /nfs/dbraw/zinc/11/42/82/406114282.db2.gz DSZSOHCOURBTJK-UHFFFAOYSA-N 0 0 317.433 2.369 10 30 DEEERN C=CCCCCCNC(=O)N(CC)[C@@H](C)CS(C)(=O)=O ZINC000567749494 406133381 /nfs/dbraw/zinc/13/33/81/406133381.db2.gz MAZRXOGBNAIESV-ZDUSSCGKSA-N 0 0 304.456 2.197 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)C1(OC)CCC1 ZINC000636967019 406136367 /nfs/dbraw/zinc/13/63/67/406136367.db2.gz WZKRZJSJQWRMIF-ZDUSSCGKSA-N 0 0 310.438 2.169 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(C(F)F)o1 ZINC000632482319 406156489 /nfs/dbraw/zinc/15/64/89/406156489.db2.gz ZVZWYEOSFGSBIR-IUCAKERBSA-N 0 0 307.318 2.087 10 30 DEEERN C=CCCCNC(=O)C(=O)N1C[C@@H]2CCCN2c2ccccc21 ZINC000519075356 406177132 /nfs/dbraw/zinc/17/71/32/406177132.db2.gz NNQWVRBNSUXBSL-AWEZNQCLSA-N 0 0 313.401 2.084 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000637117549 406181504 /nfs/dbraw/zinc/18/15/04/406181504.db2.gz VMAAVIQCXQPTNL-UPJWGTAASA-N 0 0 318.364 2.033 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1c2c(nn1C)CCCC2 ZINC000632589265 406191935 /nfs/dbraw/zinc/19/19/35/406191935.db2.gz JMDAFVYBLATVGI-UHFFFAOYSA-N 0 0 311.451 2.180 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000637273988 406237632 /nfs/dbraw/zinc/23/76/32/406237632.db2.gz WYDOMUOLSUCLOB-CHWSQXEVSA-N 0 0 316.467 2.244 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F ZINC000487745163 406260286 /nfs/dbraw/zinc/26/02/86/406260286.db2.gz XASNQMMTPOWZRK-ONGXEEELSA-N 0 0 305.300 2.121 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2Cc3ccc(Cl)cc32)C1=O ZINC000632845712 406287848 /nfs/dbraw/zinc/28/78/48/406287848.db2.gz QGHOHXBRHRDEFZ-CABCVRRESA-N 0 0 318.804 2.225 10 30 DEEERN C=C(C)COCCNC(=O)NCc1cccc2c1CCOC2 ZINC000633120052 406385564 /nfs/dbraw/zinc/38/55/64/406385564.db2.gz HQIVJJZLHAXKEU-UHFFFAOYSA-N 0 0 304.390 2.151 10 30 DEEERN C=CCCOCCNC(=O)NCc1cccc2c1CCOC2 ZINC000633141087 406392621 /nfs/dbraw/zinc/39/26/21/406392621.db2.gz YWCHWAMIVUMJGH-UHFFFAOYSA-N 0 0 304.390 2.151 10 30 DEEERN C=CCn1cc(C(=O)N2c3ccccc3N(C)CC2(C)C)nn1 ZINC000637793183 406422365 /nfs/dbraw/zinc/42/23/65/406422365.db2.gz ZAAPBAWGVRZUJB-UHFFFAOYSA-N 0 0 311.389 2.339 10 30 DEEERN C=CCCCS(=O)(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000489706933 406426824 /nfs/dbraw/zinc/42/68/24/406426824.db2.gz XLHUKRKUWCVRIY-CYBMUJFWSA-N 0 0 320.418 2.214 10 30 DEEERN COC(=O)C(C)(C)N1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000489893237 406437077 /nfs/dbraw/zinc/43/70/77/406437077.db2.gz BNIRSGVTHHYRID-UHFFFAOYSA-N 0 0 321.808 2.285 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccnn2CC2CCC2)C1 ZINC000635217703 406463019 /nfs/dbraw/zinc/46/30/19/406463019.db2.gz SBNYTVKSUFILEW-ZDUSSCGKSA-N 0 0 316.405 2.046 10 30 DEEERN C=CCOCCCC(=O)Nc1ccnc(C)c1Br ZINC000525849953 406509903 /nfs/dbraw/zinc/50/99/03/406509903.db2.gz GRZRSKRHIMWHQL-UHFFFAOYSA-N 0 0 313.195 2.496 10 30 DEEERN C=C[C@H](C)NC(=O)[C@@H]1C[C@@]1(C(=O)N[C@@H](C)C=C)c1ccccc1 ZINC000635672862 406667832 /nfs/dbraw/zinc/66/78/32/406667832.db2.gz AIUPMQFKHWFCHF-IWKLRQMXSA-N 0 0 312.413 2.326 10 30 DEEERN C=C(C)Cn1c(N2C[C@@H](C)O[C@@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000573321748 406772172 /nfs/dbraw/zinc/77/21/72/406772172.db2.gz AYCSMYJTZCFXFW-JKIFEVAISA-N 0 0 320.437 2.493 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1cnn(C(C)C)c1 ZINC000573480961 406773030 /nfs/dbraw/zinc/77/30/30/406773030.db2.gz SRCKDSHWVMPHOR-IPYPFGDCSA-N 0 0 306.410 2.415 10 30 DEEERN C=CCn1c(N2CC=C(COC)CC2)nnc1[C@@]1(C)CCCO1 ZINC000574725317 406786070 /nfs/dbraw/zinc/78/60/70/406786070.db2.gz VBLNZTQHHPPKBW-QGZVFWFLSA-N 0 0 318.421 2.273 10 30 DEEERN CCOc1ccc(I)c([N+](=O)[O-])c1C#N ZINC000575670880 406817304 /nfs/dbraw/zinc/81/73/04/406817304.db2.gz NQOCKBJUPAWGFL-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN COC(=O)Cc1cc(C#N)c(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000575395580 406808650 /nfs/dbraw/zinc/80/86/50/406808650.db2.gz IJCAJBGFXNESPN-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN CCOC(=O)Cc1cc(OC(F)(F)F)cc(C#N)c1[N+](=O)[O-] ZINC000575395603 406808694 /nfs/dbraw/zinc/80/86/94/406808694.db2.gz JJGAAVCXZWRQGU-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN CCOC(=O)Cc1cc(OC(F)(F)F)c(C#N)c([N+](=O)[O-])c1 ZINC000575395745 406808818 /nfs/dbraw/zinc/80/88/18/406808818.db2.gz OPJGMICGLBUSSQ-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN CCOC(=O)Cc1c(C=O)ccc(OC(F)(F)F)c1C#N ZINC000575390798 406809147 /nfs/dbraw/zinc/80/91/47/406809147.db2.gz BAVNUACMMSCZLM-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN N#CCc1ccc(I)c(F)c1[N+](=O)[O-] ZINC000575707315 406821330 /nfs/dbraw/zinc/82/13/30/406821330.db2.gz VESONRNHSIHRRX-UHFFFAOYSA-N 0 0 306.034 2.405 10 30 DEEERN C=CCCCCCNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000575813061 406826647 /nfs/dbraw/zinc/82/66/47/406826647.db2.gz SLKAZOHSBDKWNH-OAHLLOKOSA-N 0 0 317.437 2.491 10 30 DEEERN CSC[C@@H](C)CNC(=O)c1ccc(C#CCO)c(Cl)c1 ZINC000128914537 196003890 /nfs/dbraw/zinc/00/38/90/196003890.db2.gz LYBRUDJZNQELCU-NSHDSACASA-N 0 0 311.834 2.413 10 30 DEEERN CC[C@@H]1COCCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000115593837 287238617 /nfs/dbraw/zinc/23/86/17/287238617.db2.gz LECNGQCWNSSYSM-LLVKDONJSA-N 0 0 314.794 2.011 10 30 DEEERN C[C@H](NC(=O)c1sccc1C#N)c1nnc2n1CCCC2 ZINC000134073506 196359217 /nfs/dbraw/zinc/35/92/17/196359217.db2.gz JRELPFUPRWGAGT-VIFPVBQESA-N 0 0 301.375 2.039 10 30 DEEERN CCOC(=O)[C@@](C)(C#N)Cc1c(Br)c(C)nn1C ZINC000136083063 196519387 /nfs/dbraw/zinc/51/93/87/196519387.db2.gz PUWOCQNFTACAOD-GFCCVEGCSA-N 0 0 314.183 2.127 10 30 DEEERN N#Cc1ccc(C(=O)NC2CCN(c3ccccn3)CC2)cc1O ZINC000188307849 225016822 /nfs/dbraw/zinc/01/68/22/225016822.db2.gz ZVMVMDWICQJIFI-UHFFFAOYSA-N 0 0 322.368 2.058 10 30 DEEERN O=C1CCCN1Cc1nnc(SCC#Cc2ccccc2)o1 ZINC000191473685 225111156 /nfs/dbraw/zinc/11/11/56/225111156.db2.gz PZFROKNKUFGQCG-UHFFFAOYSA-N 0 0 313.382 2.336 10 30 DEEERN N#C[C@H]1COCCN1C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000192609483 225136926 /nfs/dbraw/zinc/13/69/26/225136926.db2.gz KKTOHEAZUMDVNM-JTQLQIEISA-N 0 0 316.691 2.219 10 30 DEEERN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)CC#N)C(C)C ZINC000194722066 225187850 /nfs/dbraw/zinc/18/78/50/225187850.db2.gz WABQQPSINUYOCC-HIFRSBDPSA-N 0 0 301.390 2.168 10 30 DEEERN O=C(NCCC1CCOCC1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328802815 225801250 /nfs/dbraw/zinc/80/12/50/225801250.db2.gz CITKEAGFRINZBO-MRXNPFEDSA-N 0 0 310.438 2.466 10 30 DEEERN O=C(N[C@H]1CCCc2occc21)N1CCC[C@H]1Cn1ccnn1 ZINC000328952606 225818124 /nfs/dbraw/zinc/81/81/24/225818124.db2.gz CZIBLVLTYYPSCT-JSGCOSHPSA-N 0 0 315.377 2.327 10 30 DEEERN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1ncncc1Cl ZINC000329868562 225938929 /nfs/dbraw/zinc/93/89/29/225938929.db2.gz XOXPRJWYQNKRMY-SECBINFHSA-N 0 0 321.768 2.394 10 30 DEEERN CO[C@H]1C[C@H](C(=O)N[C@H](C)c2csc(C)n2)N(C(C)=O)C1 ZINC000329879967 225941254 /nfs/dbraw/zinc/94/12/54/225941254.db2.gz MYZPZDKJVBVGBL-YDEJPDAXSA-N 0 0 311.407 2.105 10 30 DEEERN O=C(NC[C@@H]1CCCCS1)N1CCc2cc[nH]c(=O)c2C1 ZINC000330224451 225982354 /nfs/dbraw/zinc/98/23/54/225982354.db2.gz NRYVEPQRQDDUGD-LBPRGKRZSA-N 0 0 307.419 2.345 10 30 DEEERN N#C[C@H]1CN(C(=O)CCc2ccc(F)cc2F)CCN1C1CC1 ZINC000363507512 226917127 /nfs/dbraw/zinc/91/71/27/226917127.db2.gz XLFUCHJDVKIQQQ-HNNXBMFYSA-N 0 0 319.355 2.096 10 30 DEEERN N#C[C@H]1CN(C(=O)Nc2cccc3[nH]ccc32)CCN1C1CC1 ZINC000369217814 227026922 /nfs/dbraw/zinc/02/69/22/227026922.db2.gz CIUPVZNUWRQQNZ-ZDUSSCGKSA-N 0 0 309.373 2.372 10 30 DEEERN Cc1ccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1F ZINC000369232437 227028053 /nfs/dbraw/zinc/02/80/53/227028053.db2.gz PERYRPSKUMXJIW-OAHLLOKOSA-N 0 0 316.380 2.016 10 30 DEEERN N#C[C@H]1CN(C(=O)/C=C/Sc2ccccc2)CCN1C1CC1 ZINC000370974533 227062149 /nfs/dbraw/zinc/06/21/49/227062149.db2.gz UNMGGFDEOPMZMR-SHQCLWGWSA-N 0 0 313.426 2.491 10 30 DEEERN N#CC1CCC(CNC(=O)CN2CCCCCCC2=O)CC1 ZINC000374136941 227125282 /nfs/dbraw/zinc/12/52/82/227125282.db2.gz PNWWPPOVRLLMKY-UHFFFAOYSA-N 0 0 305.422 2.225 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000408336503 227232795 /nfs/dbraw/zinc/23/27/95/227232795.db2.gz AVVHVWLEVOAUIS-KWQFWETISA-N 0 0 302.758 2.450 10 30 DEEERN Cc1ccc(N2CCC(C(=O)N(C)C(C)C)CC2)nc1C#N ZINC000302677988 230345126 /nfs/dbraw/zinc/34/51/26/230345126.db2.gz VJTPUDKBVNVWBN-UHFFFAOYSA-N 0 0 300.406 2.345 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccccc3)n2)C1 ZINC000627733220 421862823 /nfs/dbraw/zinc/86/28/23/421862823.db2.gz OLUHRWWMGRNAGL-AWEZNQCLSA-N 0 0 324.384 2.235 10 30 DEEERN CC(=O)N1CC[C@H](CNc2ncc(C#N)c3ccsc32)C1 ZINC000601165508 422421480 /nfs/dbraw/zinc/42/14/80/422421480.db2.gz CHXVULDWBRSJRY-LLVKDONJSA-N 0 0 300.387 2.448 10 30 DEEERN C=CCOCCCNc1ccc2nnc(-c3ccncc3)n2n1 ZINC000631370470 422720327 /nfs/dbraw/zinc/72/03/27/422720327.db2.gz MKMYLZGNWYYJNF-UHFFFAOYSA-N 0 0 310.361 2.191 10 30 DEEERN C=CCCOCCCCC(=O)N1CCC[C@H](c2nnc(N)o2)C1 ZINC000636220237 422724730 /nfs/dbraw/zinc/72/47/30/422724730.db2.gz VDHWYNCBPMUSJC-ZDUSSCGKSA-N 0 0 322.409 2.121 10 30 DEEERN C=CCCOCCCCC(=O)N1CCC[C@@H](c2nnc(N)o2)C1 ZINC000636220235 422724974 /nfs/dbraw/zinc/72/49/74/422724974.db2.gz VDHWYNCBPMUSJC-CYBMUJFWSA-N 0 0 322.409 2.121 10 30 DEEERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCCCC#N)C1=O ZINC000192803526 424865288 /nfs/dbraw/zinc/86/52/88/424865288.db2.gz FBIQJFUSRDMYBO-HNNXBMFYSA-N 0 0 316.317 2.056 10 30 DEEERN N#Cc1ccsc1C(=O)Nc1ccn(-c2ncccc2F)n1 ZINC000366982426 424866311 /nfs/dbraw/zinc/86/63/11/424866311.db2.gz PBIPPDYJTCXUFL-UHFFFAOYSA-N 0 0 313.317 2.592 10 30 DEEERN Cc1cc(C#N)nc(NCc2ccnc(N3CCCCCC3)c2)n1 ZINC000367714734 424869708 /nfs/dbraw/zinc/86/97/08/424869708.db2.gz DTRLTCVMWFBWMR-UHFFFAOYSA-N 0 0 322.416 3.044 10 30 DEEERN Cc1cc(C#N)nc(NC[C@H]2CC(c3ccc(C)c(C)c3)=NO2)n1 ZINC000367822857 424869853 /nfs/dbraw/zinc/86/98/53/424869853.db2.gz BJWZPSAGSRAOMT-MRXNPFEDSA-N 0 0 321.384 2.879 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NCc1cccc2c1OCO2 ZINC000194599033 424876714 /nfs/dbraw/zinc/87/67/14/424876714.db2.gz KLJRLMDGNHYTKT-LBPRGKRZSA-N 0 0 324.336 2.371 10 30 DEEERN Cc1c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)ccn1C ZINC000195263649 424880913 /nfs/dbraw/zinc/88/09/13/424880913.db2.gz NAKAKJJNKMWYCO-KRWDZBQOSA-N 0 0 322.412 2.184 10 30 DEEERN C=CCN(CCOC)C(=O)c1nscc1Br ZINC000404724921 424929034 /nfs/dbraw/zinc/92/90/34/424929034.db2.gz XQIKNGHFQLPCDF-UHFFFAOYSA-N 0 0 305.197 2.180 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(C)n(CC(F)(F)F)n1 ZINC000561077186 424889788 /nfs/dbraw/zinc/88/97/88/424889788.db2.gz OYZVUOSOLJXHPG-ZYHUDNBSSA-N 0 0 317.311 2.674 10 30 DEEERN COc1ccc2[nH]cc(CCNc3nc(C)cc(C#N)n3)c2c1 ZINC000587977621 424994123 /nfs/dbraw/zinc/99/41/23/424994123.db2.gz KVXZZEBKTVRFCZ-UHFFFAOYSA-N 0 0 307.357 2.801 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1cc(COC)nc(C(C)(C)C)n1 ZINC000425282725 424997158 /nfs/dbraw/zinc/99/71/58/424997158.db2.gz NVWWXEKSTPMLIT-JSGCOSHPSA-N 0 0 305.422 2.924 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccn(CCC#N)n1 ZINC000596754350 425028819 /nfs/dbraw/zinc/02/88/19/425028819.db2.gz WCSWYIJOEQKPQF-ZIAGYGMSSA-N 0 0 301.394 3.053 10 30 DEEERN C=CCCN(C)C(=O)Nc1ccn([C@H](CCC)C(=O)OCC)n1 ZINC000597051449 425030274 /nfs/dbraw/zinc/03/02/74/425030274.db2.gz JVAQCFNIYXDJBD-CYBMUJFWSA-N 0 0 322.409 2.827 10 30 DEEERN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)Cc2cccc(C#N)c2)C1 ZINC000531179097 267243297 /nfs/dbraw/zinc/24/32/97/267243297.db2.gz DACBMKLNCJXTII-VVBPWWLESA-N 0 0 318.442 2.297 10 30 DEEERN CNC(=O)c1cccc(NC(=O)Cc2cccc(C#N)c2)c1C ZINC000531146030 267346430 /nfs/dbraw/zinc/34/64/30/267346430.db2.gz VNEAONASLANGSZ-UHFFFAOYSA-N 0 0 307.353 2.408 10 30 DEEERN COCc1cc(CNC(=O)c2cc(C#N)cn2C)ccc1F ZINC000177267403 267554980 /nfs/dbraw/zinc/55/49/80/267554980.db2.gz BOJABSSFPRGJAK-UHFFFAOYSA-N 0 0 301.321 2.112 10 30 DEEERN C[C@H]1CN(c2cc3ccccc3nc2C#N)C[C@H](C)S1(=O)=O ZINC000334034900 269008884 /nfs/dbraw/zinc/00/88/84/269008884.db2.gz NBUYOPSVSBTQCK-RYUDHWBXSA-N 0 0 315.398 2.118 10 30 DEEERN Cc1cccc(C[C@H](CO)NC(=O)Cc2cccc(C#N)c2)c1 ZINC000527059829 269513829 /nfs/dbraw/zinc/51/38/29/269513829.db2.gz PDORRMMGJGQXST-GOSISDBHSA-N 0 0 308.381 2.129 10 30 DEEERN C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)CC(C)(C)O1 ZINC000328893358 287836029 /nfs/dbraw/zinc/83/60/29/287836029.db2.gz UIWJZBWMXKHSPS-MPKXVKKWSA-N 0 0 309.410 2.297 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000459969332 275751429 /nfs/dbraw/zinc/75/14/29/275751429.db2.gz ABDZANSTXYGPOI-YVLXSGLVSA-N 0 0 302.330 2.464 10 30 DEEERN CC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)n2C)c2ccccc21 ZINC000450254066 275773175 /nfs/dbraw/zinc/77/31/75/275773175.db2.gz HESVGLBWYSWFNB-HNNXBMFYSA-N 0 0 322.368 2.124 10 30 DEEERN CC1(C)CN(CC#Cc2ccc(Cl)cc2)CCS1(=O)=O ZINC000155282778 276131276 /nfs/dbraw/zinc/13/12/76/276131276.db2.gz QRIUAMLQJTYOME-UHFFFAOYSA-N 0 0 311.834 2.201 10 30 DEEERN C#C[C@@H](C)NC(=O)N[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000276649343 276791813 /nfs/dbraw/zinc/79/18/13/276791813.db2.gz PTDJNQLUBHBJDX-CABCVRRESA-N 0 0 313.401 2.038 10 30 DEEERN CN1C(=O)N[C@@H]2CN(c3ccc(C#N)cc3C(F)(F)F)CC[C@@H]21 ZINC000284491246 277017657 /nfs/dbraw/zinc/01/76/57/277017657.db2.gz GIKLLGBJTXDJLS-YPMHNXCESA-N 0 0 324.306 2.179 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(CC#Cc3ccc(F)cc3)[C@@H]2C1 ZINC000157994841 277296592 /nfs/dbraw/zinc/29/65/92/277296592.db2.gz BFUZNPJMXSCFNL-KZNAEPCWSA-N 0 0 303.377 2.446 10 30 DEEERN COc1cc(C#N)ccc1CN1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000245867500 277367329 /nfs/dbraw/zinc/36/73/29/277367329.db2.gz GISNPHBLEBRLDB-YESZJQIVSA-N 0 0 316.401 2.335 10 30 DEEERN C#CCN(C(=O)[C@@H]1Cc2ccccc2N1C(C)=O)C1CCCC1 ZINC000164208339 277678953 /nfs/dbraw/zinc/67/89/53/277678953.db2.gz NLVAXDXOEJTGMG-SFHVURJKSA-N 0 0 310.397 2.369 10 30 DEEERN C#C[C@H](C)NC(=O)N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000376923524 277706569 /nfs/dbraw/zinc/70/65/69/277706569.db2.gz RZIYKHWORYIUSU-STQMWFEESA-N 0 0 309.410 2.097 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC000454807214 277830614 /nfs/dbraw/zinc/83/06/14/277830614.db2.gz LHQJQKWXCHHMHE-MJBXVCDLSA-N 0 0 314.451 2.092 10 30 DEEERN CC(C)OC(=O)[C@@H](C)CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000174104217 279638962 /nfs/dbraw/zinc/63/89/62/279638962.db2.gz LHLCMCQSYYWJNV-STQMWFEESA-N 0 0 318.373 2.029 10 30 DEEERN Cc1cc(C#N)nc(N2CCO[C@]3(CCc4ccccc43)C2)n1 ZINC000376393393 280318182 /nfs/dbraw/zinc/31/81/82/280318182.db2.gz AUKOWJGPOQTXEI-GOSISDBHSA-N 0 0 306.369 2.335 10 30 DEEERN CCN(C[C@H]1CCCO1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000074736550 281554721 /nfs/dbraw/zinc/55/47/21/281554721.db2.gz BHGCJURUFTYZTR-MRXNPFEDSA-N 0 0 317.389 2.148 10 30 DEEERN COc1ccc(O[C@H](C)CNC(=O)c2cc(C#N)cn2C)cc1 ZINC000081549145 281604853 /nfs/dbraw/zinc/60/48/53/281604853.db2.gz XBHZDCUYZQNHAX-GFCCVEGCSA-N 0 0 313.357 2.103 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC000080944319 294201781 /nfs/dbraw/zinc/20/17/81/294201781.db2.gz RCQSADSEFGUDJK-KRWDZBQOSA-N 0 0 308.385 2.026 10 30 DEEERN C[C@@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)CO1 ZINC000248754265 297070812 /nfs/dbraw/zinc/07/08/12/297070812.db2.gz PGENTVVYZJLYON-JJRVBVJISA-N 0 0 313.401 2.163 10 30 DEEERN Cc1cnn(CCNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000172291200 325727706 /nfs/dbraw/zinc/72/77/06/325727706.db2.gz LCMHLZQNTQLDTF-UHFFFAOYSA-N 0 0 323.400 2.437 10 30 DEEERN C=CCCCCCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000570941330 332909198 /nfs/dbraw/zinc/90/91/98/332909198.db2.gz LEKZUGRPQNJLQD-UHFFFAOYSA-N 0 0 319.361 2.187 10 30 DEEERN C=C(C)Cn1c(N(C)[C@@H]2CCOC2)nnc1[C@@]1(C)CCCO1 ZINC000556440422 331704261 /nfs/dbraw/zinc/70/42/61/331704261.db2.gz ONKJPBZBQSLPCN-CZUORRHYSA-N 0 0 306.410 2.105 10 30 DEEERN C=CCCCCCNC(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000568410637 331777859 /nfs/dbraw/zinc/77/78/59/331777859.db2.gz UCKFMCGRIZREKD-UHFFFAOYSA-N 0 0 307.438 2.433 10 30 DEEERN C=CCC1(C(=O)NCc2cnc3n2CCCC3)CCOCC1 ZINC000564867071 331827264 /nfs/dbraw/zinc/82/72/64/331827264.db2.gz YFZZMCIBNYVBQD-UHFFFAOYSA-N 0 0 303.406 2.209 10 30 DEEERN C=CCn1c(CC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000558678162 331934304 /nfs/dbraw/zinc/93/43/04/331934304.db2.gz ZMYNBTZJTRYEPT-JKIFEVAISA-N 0 0 320.437 2.189 10 30 DEEERN C[C@H](C#N)CNC(=O)[C@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000181984583 333147971 /nfs/dbraw/zinc/14/79/71/333147971.db2.gz CQAZWAZLBOUUDM-WBMJQRKESA-N 0 0 309.410 2.442 10 30 DEEERN C=CCC1(C(=O)N2CCO[C@]3(CCSC3)C2)CCOCC1 ZINC000567937118 333469102 /nfs/dbraw/zinc/46/91/02/333469102.db2.gz VSWBEYLYZYJIDL-MRXNPFEDSA-N 0 0 311.447 2.094 10 30 DEEERN C=CCn1c(CC)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000571503911 333806104 /nfs/dbraw/zinc/80/61/04/333806104.db2.gz HERQJFBWKYOLTN-ZDUSSCGKSA-N 0 0 316.409 2.177 10 30 DEEERN C=CCN(C)c1nnc(-c2scnc2C)n1C[C@@H]1CCOC1 ZINC000584351226 336066238 /nfs/dbraw/zinc/06/62/38/336066238.db2.gz XIOWFJMNPVTDGD-LBPRGKRZSA-N 0 0 319.434 2.369 10 30 DEEERN C=CC[C@H](CC)NS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000393744970 337093789 /nfs/dbraw/zinc/09/37/89/337093789.db2.gz OELMEPOLSYQRLL-ZDUSSCGKSA-N 0 0 311.403 2.035 10 30 DEEERN COc1ccc(S(=O)(=O)[C@@H](C#N)c2nccnc2Cl)cc1 ZINC000584628869 337376467 /nfs/dbraw/zinc/37/64/67/337376467.db2.gz XIZVACLSGGNGCE-NSHDSACASA-N 0 0 323.761 2.177 10 30 DEEERN COC(=O)CCCN1CC[C@](C#N)(Cc2ccccc2)CC1=O ZINC000584645587 337380298 /nfs/dbraw/zinc/38/02/98/337380298.db2.gz HOEMYBVNDKFGBV-SFHVURJKSA-N 0 0 314.385 2.315 10 30 DEEERN C=CCn1c(C2CCCC2)nnc1N1C[C@H](C(N)=O)CC[C@H]1C ZINC000571688203 337568063 /nfs/dbraw/zinc/56/80/63/337568063.db2.gz HSOZLMAGLRUOGR-TZMCWYRMSA-N 0 0 317.437 2.212 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)c1nc(C)cs1 ZINC000572237404 337599697 /nfs/dbraw/zinc/59/96/97/337599697.db2.gz RUDCNNKRZNCPDY-WXHSDQCUSA-N 0 0 309.435 2.445 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2Cc3ccccc3NC2=O)CCOCC1 ZINC000529946045 340774712 /nfs/dbraw/zinc/77/47/12/340774712.db2.gz ZMWZAXRZAGYOQJ-OAHLLOKOSA-N 0 0 314.385 2.039 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCC[C@H]1c1ccc(=O)[nH]n1)OCC ZINC000530081537 340778989 /nfs/dbraw/zinc/77/89/89/340778989.db2.gz ZBWVGSLDYSJAIT-UONOGXRCSA-N 0 0 305.378 2.217 10 30 DEEERN C=CC[C@H](CO)NC(=O)C(C)(C)Oc1ccc(OCC)cc1 ZINC000547405065 341211554 /nfs/dbraw/zinc/21/15/54/341211554.db2.gz CWUCPLJFSCHKSR-CYBMUJFWSA-N 0 0 307.390 2.296 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000547764059 341231083 /nfs/dbraw/zinc/23/10/83/341231083.db2.gz QUOHFMUPTWRREZ-GUYCJALGSA-N 0 0 303.358 2.406 10 30 DEEERN CC#CCNC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000135983274 341249621 /nfs/dbraw/zinc/24/96/21/341249621.db2.gz FLMIEUYYQQHSKK-UHFFFAOYSA-N 0 0 311.838 2.252 10 30 DEEERN C=CCn1c(C(C)C)nnc1N1CCC[C@H](n2cncn2)C1 ZINC000564368823 341311534 /nfs/dbraw/zinc/31/15/34/341311534.db2.gz JJIGXKFQVJZNNK-ZDUSSCGKSA-N 0 0 301.398 2.021 10 30 DEEERN C=CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2CCC[C@H]21 ZINC000564376639 341333638 /nfs/dbraw/zinc/33/36/38/341333638.db2.gz GTSUQNTUMZMJOZ-HUUCEWRRSA-N 0 0 312.421 2.314 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@H](C(C)C)C1 ZINC000554611981 341459614 /nfs/dbraw/zinc/45/96/14/341459614.db2.gz SXJXYXIKQTYVJX-LSDHHAIUSA-N 0 0 320.437 2.424 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000566674762 341564803 /nfs/dbraw/zinc/56/48/03/341564803.db2.gz KXJOGBCAYMAMMY-FZKCQIBNSA-N 0 0 308.422 2.036 10 30 DEEERN C[C@H](CC1CCCCC1)C(=O)N1CCN(C(=O)CC#N)CC1 ZINC000408192582 533774969 /nfs/dbraw/zinc/77/49/69/533774969.db2.gz NGNHZPKQYLSQMU-CQSZACIVSA-N 0 0 305.422 2.177 10 30 DEEERN Cc1ccc(-c2n[nH]cc2CN2CCN(C3CC3)[C@@H](C#N)C2)o1 ZINC000371328757 534201977 /nfs/dbraw/zinc/20/19/77/534201977.db2.gz YRVCSNXEQCQJLA-HNNXBMFYSA-N 0 0 311.389 2.150 10 30 DEEERN C=CCCCCCNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000574096935 517324321 /nfs/dbraw/zinc/32/43/21/517324321.db2.gz MKMAJXPVVYQMDG-UHFFFAOYSA-N 0 0 300.358 2.389 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cnc(CCC)o1 ZINC000454911508 534321103 /nfs/dbraw/zinc/32/11/03/534321103.db2.gz YLANKLZCPJLALP-WFASDCNBSA-N 0 0 307.394 2.408 10 30 DEEERN C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCCCCO1 ZINC000328748130 518175999 /nfs/dbraw/zinc/17/59/99/518175999.db2.gz QHLPDBMGNLWWSK-CYBMUJFWSA-N 0 0 306.362 2.355 10 30 DEEERN Cc1nc([C@@H](C)NC(=O)c2cn(CC3(C)COC3)nn2)cs1 ZINC000329769003 534533098 /nfs/dbraw/zinc/53/30/98/534533098.db2.gz FCVHHTIHIFCGLL-SECBINFHSA-N 0 0 321.406 2.145 10 30 DEEERN N#CC1(c2ccc(C(=O)N[C@H]3CCCC[C@@H]3C(N)=O)cc2)CC1 ZINC000181767971 534576605 /nfs/dbraw/zinc/57/66/05/534576605.db2.gz OFFZKFGSRKWHGZ-GJZGRUSLSA-N 0 0 311.385 2.016 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000450148134 534579380 /nfs/dbraw/zinc/57/93/80/534579380.db2.gz QTPRKAYBFNKQKX-IXDOHACOSA-N 0 0 317.385 2.186 10 30 DEEERN N#CCC1(O)CN(C(=O)CC2CCC(C(F)(F)F)CC2)C1 ZINC000408322217 534590611 /nfs/dbraw/zinc/59/06/11/534590611.db2.gz TYJNFOYDBLYUJZ-UHFFFAOYSA-N 0 0 304.312 2.232 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NCCOCc1ccc(Cl)cc1 ZINC000454721880 534602314 /nfs/dbraw/zinc/60/23/14/534602314.db2.gz VNAYACOFLDQKQI-CABCVRRESA-N 0 0 324.808 2.499 10 30 DEEERN N#CCCN(CCC#N)C(=O)c1ncsc1Br ZINC000287897859 534646781 /nfs/dbraw/zinc/64/67/81/534646781.db2.gz GUYYBZZMBIHMEN-UHFFFAOYSA-N 0 0 313.180 2.175 10 30 DEEERN CC#CCN(C)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000458535140 534706911 /nfs/dbraw/zinc/70/69/11/534706911.db2.gz PMSMUBHAMDZBAP-GFCCVEGCSA-N 0 0 307.344 2.208 10 30 DEEERN C=CCCCNC(=O)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000458726156 534725753 /nfs/dbraw/zinc/72/57/53/534725753.db2.gz NGZXLOOONZZYIF-WBVHZDCISA-N 0 0 306.381 2.462 10 30 DEEERN C=CCCCS(=O)(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000489611808 534741010 /nfs/dbraw/zinc/74/10/10/534741010.db2.gz OIKDKJGRGXFPHH-ZDUSSCGKSA-N 0 0 317.451 2.336 10 30 DEEERN N#C[C@H]1CN([C@H]2CCCN(c3ccccc3Cl)C2=O)CCO1 ZINC000246533279 534758115 /nfs/dbraw/zinc/75/81/15/534758115.db2.gz CINJGHXNOQFXPP-WFASDCNBSA-N 0 0 319.792 2.060 10 30 DEEERN C[C@@H]1CCOCCN1C(=O)CSCc1ccc(C#N)cc1 ZINC000367753617 524532947 /nfs/dbraw/zinc/53/29/47/524532947.db2.gz ZZCJFUDYTJFSPC-CYBMUJFWSA-N 0 0 304.415 2.429 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCCCN(C)CC(F)(F)F ZINC000161697081 526191424 /nfs/dbraw/zinc/19/14/24/526191424.db2.gz DDJQWFLLWPXUGB-UHFFFAOYSA-N 0 0 313.323 2.481 10 30 DEEERN CC(C)(C)N1C[C@H](NC(=O)NCC2CCC(C#N)CC2)CC1=O ZINC000440997374 526298180 /nfs/dbraw/zinc/29/81/80/526298180.db2.gz JFSPJCGESLVPIF-JXQTWKCFSA-N 0 0 320.437 2.015 10 30 DEEERN CC#CCCCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000192210065 526301160 /nfs/dbraw/zinc/30/11/60/526301160.db2.gz ZGMASWLJPBWKCE-MRXNPFEDSA-N 0 0 316.376 2.236 10 30 DEEERN CC#CCNC(=O)NCCc1coc(-c2ccc(OC)cc2)n1 ZINC000378076048 526373327 /nfs/dbraw/zinc/37/33/27/526373327.db2.gz XVCYLEHLAAQACR-UHFFFAOYSA-N 0 0 313.357 2.215 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N(C)c3cccnc3)cc2C1=O ZINC000358072078 526407926 /nfs/dbraw/zinc/40/79/26/526407926.db2.gz BJAHFVVRCWETKK-UHFFFAOYSA-N 0 0 321.336 2.140 10 30 DEEERN C=CCNC(=O)Cc1noc([C@H]2CCc3cccc(OC)c32)n1 ZINC000340663253 526581433 /nfs/dbraw/zinc/58/14/33/526581433.db2.gz UOZIYNMJQOVVRC-LBPRGKRZSA-N 0 0 313.357 2.001 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000376619861 526670698 /nfs/dbraw/zinc/67/06/98/526670698.db2.gz ZPSSMYVEQGNLEL-UHFFFAOYSA-N 0 0 323.392 2.476 10 30 DEEERN C#CCCCC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000192156271 526679179 /nfs/dbraw/zinc/67/91/79/526679179.db2.gz CKSMCABLLWACNZ-AWEZNQCLSA-N 0 0 300.406 2.472 10 30 DEEERN C#CCCCCC(=O)N[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000378402312 526690119 /nfs/dbraw/zinc/69/01/19/526690119.db2.gz WJMNRNPEIQVXEW-AWEZNQCLSA-N 0 0 314.385 2.110 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000372005188 526700820 /nfs/dbraw/zinc/70/08/20/526700820.db2.gz XGSMTVZFSPWRIA-ZIAGYGMSSA-N 0 0 315.417 2.083 10 30 DEEERN C#CCCCCNC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000132531744 526701814 /nfs/dbraw/zinc/70/18/14/526701814.db2.gz PTPITZLRIWTPEP-MRXNPFEDSA-N 0 0 313.401 2.285 10 30 DEEERN C=C(C)Cn1c(CC(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC000338847423 526727517 /nfs/dbraw/zinc/72/75/17/526727517.db2.gz UIVLVOOPPPMBNR-HNNXBMFYSA-N 0 0 319.453 2.158 10 30 DEEERN C#CCCNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000369299785 526736379 /nfs/dbraw/zinc/73/63/79/526736379.db2.gz SCIAQVRRLJKKQP-HNNXBMFYSA-N 0 0 320.801 2.408 10 30 DEEERN C=CCOCCCC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000155998044 526742413 /nfs/dbraw/zinc/74/24/13/526742413.db2.gz LDBULBSFTCWWFL-CQSZACIVSA-N 0 0 314.389 2.427 10 30 DEEERN C=CCOCCNC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000370357752 526775717 /nfs/dbraw/zinc/77/57/17/526775717.db2.gz CXVMVFVNFFFDOJ-AWEZNQCLSA-N 0 0 318.373 2.464 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCCC[C@@H]1CN1CCOCC1)OCC ZINC000339370154 526807194 /nfs/dbraw/zinc/80/71/94/526807194.db2.gz PAXGJPLFOKKLGJ-SJORKVTESA-N 0 0 324.465 2.071 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC(O)(c2ccc(Cl)cc2)C1 ZINC000374996931 526837687 /nfs/dbraw/zinc/83/76/87/526837687.db2.gz RBXNUGIFRDILMA-HUUCEWRRSA-N 0 0 321.804 2.351 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N1CCNC[C@](C)(F)C1 ZINC000417602569 526939645 /nfs/dbraw/zinc/93/96/45/526939645.db2.gz VXYJWYAMQPHILU-KRWDZBQOSA-N 0 0 321.396 2.094 10 30 DEEERN C=CCSCCNC(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000359030318 526997917 /nfs/dbraw/zinc/99/79/17/526997917.db2.gz MYKCEDPTJWRLLD-ZDUSSCGKSA-N 0 0 319.430 2.331 10 30 DEEERN C=CCC1(C(=O)N2CCC(C(=O)NCCC)CC2)CCOCC1 ZINC000424574165 527039911 /nfs/dbraw/zinc/03/99/11/527039911.db2.gz ZZKAZUMVQQJYHT-UHFFFAOYSA-N 0 0 322.449 2.124 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341929366 527065045 /nfs/dbraw/zinc/06/50/45/527065045.db2.gz ALHFDBMRACFAAA-NWDGAFQWSA-N 0 0 307.350 2.140 10 30 DEEERN C#CCO[C@H](C)C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000294460445 527079454 /nfs/dbraw/zinc/07/94/54/527079454.db2.gz MRQWCFGRQVPPLN-DOMZBBRYSA-N 0 0 307.777 2.278 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H]1CCCc2cnn(C(C)C)c21 ZINC000368147206 527094199 /nfs/dbraw/zinc/09/41/99/527094199.db2.gz INERZNPOUJYZKC-KBPBESRZSA-N 0 0 306.410 2.078 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1SCC ZINC000185727241 527099114 /nfs/dbraw/zinc/09/91/14/527099114.db2.gz PZELYTLJWQUXRE-JTQLQIEISA-N 0 0 310.375 2.374 10 30 DEEERN C#CCOc1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](OC)C2)cc1 ZINC000296957165 527102574 /nfs/dbraw/zinc/10/25/74/527102574.db2.gz HTSDDHWMRRSOFC-PBHICJAKSA-N 0 0 316.401 2.265 10 30 DEEERN C#CCOc1ccccc1NC(=O)N[C@H](CC)[C@@H](O)C(F)F ZINC000296555483 527134371 /nfs/dbraw/zinc/13/43/71/527134371.db2.gz CBRMIMYOEOPRME-ZWNOBZJWSA-N 0 0 312.316 2.225 10 30 DEEERN C=CCCCCNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000366741128 527159302 /nfs/dbraw/zinc/15/93/02/527159302.db2.gz UAKSWFXFFXBIJY-CQSZACIVSA-N 0 0 305.426 2.044 10 30 DEEERN C=CCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000368413488 527163717 /nfs/dbraw/zinc/16/37/17/527163717.db2.gz WITRJLXGCYLDGL-HNNXBMFYSA-N 0 0 316.401 2.469 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000288014018 527170941 /nfs/dbraw/zinc/17/09/41/527170941.db2.gz CBFXMKWIVHVJLE-KZNAEPCWSA-N 0 0 314.429 2.423 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](OC)C1CC1 ZINC000296756705 527172143 /nfs/dbraw/zinc/17/21/43/527172143.db2.gz YNRLDCKECCGVGO-IAGOWNOFSA-N 0 0 300.402 2.345 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC(C(C)(C)O)C1 ZINC000288122902 527172574 /nfs/dbraw/zinc/17/25/74/527172574.db2.gz KCNVQIIZRCCVFG-MRXNPFEDSA-N 0 0 300.402 2.033 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCc1cc(C)nn1C ZINC000286901964 527172816 /nfs/dbraw/zinc/17/28/16/527172816.db2.gz GZTZVGTYXQVZAX-MRXNPFEDSA-N 0 0 310.401 2.162 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)[C@H]1CCOC1 ZINC000286740160 527173798 /nfs/dbraw/zinc/17/37/98/527173798.db2.gz QIQCNQJUYYTHAY-HYVNUMGLSA-N 0 0 300.402 2.345 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000356792683 527183840 /nfs/dbraw/zinc/18/38/40/527183840.db2.gz BZGJBFWRWXGILK-WMLDXEAASA-N 0 0 303.402 2.495 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000342218159 527183866 /nfs/dbraw/zinc/18/38/66/527183866.db2.gz XEEMIIORCGWTGM-YOEHRIQHSA-N 0 0 303.402 2.495 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000185849068 527194736 /nfs/dbraw/zinc/19/47/36/527194736.db2.gz QLIIGGOYPQEELE-OAHLLOKOSA-N 0 0 306.381 2.484 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000248596662 527196345 /nfs/dbraw/zinc/19/63/45/527196345.db2.gz SZWKMMAHCYNNNP-BBWFWOEESA-N 0 0 318.417 2.391 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000344335129 527200160 /nfs/dbraw/zinc/20/01/60/527200160.db2.gz RENWQAPLULHFOS-JXFSHQFZSA-N 0 0 304.390 2.176 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(OC)c(OC)c(C)c1OC ZINC000434957695 527202282 /nfs/dbraw/zinc/20/22/82/527202282.db2.gz HUXSPFVZTRSBQB-LLVKDONJSA-N 0 0 324.377 2.079 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1c[nH]nc1-c1cc2ccccc2o1 ZINC000189092201 527207246 /nfs/dbraw/zinc/20/72/46/527207246.db2.gz KBGNPLZWFJGCDN-GFCCVEGCSA-N 0 0 311.341 2.490 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000337044857 527208352 /nfs/dbraw/zinc/20/83/52/527208352.db2.gz FADGDDWSIYVGDF-GFCCVEGCSA-N 0 0 305.765 2.193 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnn(-c2ccccc2)c1CCC ZINC000185765798 527208512 /nfs/dbraw/zinc/20/85/12/527208512.db2.gz NIRKRNWXTASGRM-CQSZACIVSA-N 0 0 313.401 2.492 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000448375222 527209200 /nfs/dbraw/zinc/20/92/00/527209200.db2.gz MJUGHGFUNMEGDA-UHFFFAOYSA-N 0 0 306.410 2.030 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000448374509 527210892 /nfs/dbraw/zinc/21/08/92/527210892.db2.gz KHZYCDVIQNBQEK-UHFFFAOYSA-N 0 0 312.373 2.202 10 30 DEEERN C=CCCCNC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000448013311 527223154 /nfs/dbraw/zinc/22/31/54/527223154.db2.gz AOUKBBJBSVNKHA-UHFFFAOYSA-N 0 0 317.389 2.247 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N1CCN(CC(F)F)CC1 ZINC000337817528 527279895 /nfs/dbraw/zinc/27/98/95/527279895.db2.gz PIIAGFRLWBFSDI-UHFFFAOYSA-N 0 0 323.347 2.111 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC000337812247 527315989 /nfs/dbraw/zinc/31/59/89/527315989.db2.gz LSRXMLKIFMBQSZ-CQSZACIVSA-N 0 0 319.453 2.015 10 30 DEEERN C=CCCOCCNC(=O)[C@H](C)Cn1ncc2ccccc21 ZINC000341432325 527362046 /nfs/dbraw/zinc/36/20/46/527362046.db2.gz MJGSFSOAZOZFRV-CQSZACIVSA-N 0 0 301.390 2.381 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000338097494 527389065 /nfs/dbraw/zinc/38/90/65/527389065.db2.gz JHNGLQLVBQNTEC-HUUCEWRRSA-N 0 0 324.465 2.367 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)C(=O)C2(CCF)CC2)c1 ZINC000289855426 527448336 /nfs/dbraw/zinc/44/83/36/527448336.db2.gz QAAAOADUZCADQQ-UHFFFAOYSA-N 0 0 302.349 2.205 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@@]2(CCCO2)[C@H]1C(C)C ZINC000334107907 527472348 /nfs/dbraw/zinc/47/23/48/527472348.db2.gz ZKUROPRRNBVZEB-DLTWYDFYSA-N 0 0 308.422 2.319 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](OC)c1ccc(F)cc1 ZINC000425569744 527496200 /nfs/dbraw/zinc/49/62/00/527496200.db2.gz ZSFYTGQMRRKJCB-BPUTZDHNSA-N 0 0 322.380 2.404 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC000424932574 527497233 /nfs/dbraw/zinc/49/72/33/527497233.db2.gz NPGPTKBDJPOQIC-JLJPHGGASA-N 0 0 301.386 2.314 10 30 DEEERN C=CCCc1ccccc1NC(=O)N1CCN2C(=O)N=NC2C1 ZINC000337606637 527506301 /nfs/dbraw/zinc/50/63/01/527506301.db2.gz QEFOMHDNLRTTBP-UHFFFAOYSA-N 0 0 313.361 2.150 10 30 DEEERN C=C[C@@](C)(CC)C(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2 ZINC000447678415 527524915 /nfs/dbraw/zinc/52/49/15/527524915.db2.gz ZPIKMNPEXAWYPL-SFHVURJKSA-N 0 0 315.417 2.071 10 30 DEEERN CC1(C)Cc2cccc(S(=O)(=O)N[C@H]3CCC[C@@H]3C#N)c2O1 ZINC000407958512 527778611 /nfs/dbraw/zinc/77/86/11/527778611.db2.gz RSOXKMVDSLUCGL-OLZOCXBDSA-N 0 0 320.414 2.371 10 30 DEEERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1cccc(CC#N)c1)CC2 ZINC000195279927 528476081 /nfs/dbraw/zinc/47/60/81/528476081.db2.gz SHXIZOLAGLPKGE-HNNXBMFYSA-N 0 0 323.400 2.212 10 30 DEEERN CC(C)n1c(CC2CCCC2)nnc1N1CCO[C@@H](C#N)C1 ZINC000333286832 528539545 /nfs/dbraw/zinc/53/95/45/528539545.db2.gz ZCEBJHHKMVYNGY-AWEZNQCLSA-N 0 0 303.410 2.320 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)CNc1cccc2c1OCCC2 ZINC000370530882 528699148 /nfs/dbraw/zinc/69/91/48/528699148.db2.gz INOBHLJEOXPTTB-CYBMUJFWSA-N 0 0 301.390 2.432 10 30 DEEERN CC[C@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C(F)F ZINC000451624698 535924572 /nfs/dbraw/zinc/92/45/72/535924572.db2.gz AYEAHQXLDVPTHX-NSHDSACASA-N 0 0 306.309 2.160 10 30 DEEERN COC(=O)[C@@H](C)[C@@H](NC(=O)c1ccnc(C#N)c1)c1ccccc1 ZINC000193427837 536442809 /nfs/dbraw/zinc/44/28/09/536442809.db2.gz BOZBUWQXNOHQMG-BLLLJJGKSA-N 0 0 323.352 2.233 10 30 DEEERN COc1ccc(C#N)cc1CN1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000246910478 536643723 /nfs/dbraw/zinc/64/37/23/536643723.db2.gz RQFARCGKIKJSIA-LZLYRXPVSA-N 0 0 316.401 2.335 10 30 DEEERN COC[C@@H](NC(=O)c1cc(C#N)[nH]c1C)c1ccc(F)cc1 ZINC000450006271 536713379 /nfs/dbraw/zinc/71/33/79/536713379.db2.gz ROCISYVIKAMFCM-OAHLLOKOSA-N 0 0 301.321 2.451 10 30 DEEERN COCc1cccc(CC(=O)OCC2(C#N)CCOCC2)c1 ZINC000189127134 625464143 /nfs/dbraw/zinc/46/41/43/625464143.db2.gz AURSFSMDNCOITH-UHFFFAOYSA-N 0 0 303.358 2.239 10 30 DEEERN CC(C)CC(=O)N[C@@H](C(=O)[C@@H](C#N)c1ccccn1)C(C)C ZINC000049457472 622567605 /nfs/dbraw/zinc/56/76/05/622567605.db2.gz JZSKMRWNJVQPIS-XJKSGUPXSA-N 0 0 301.390 2.445 10 30 DEEERN CC1CCC(N2C[C@H](C(=O)O[C@@H](C#N)C3CC3)CC2=O)CC1 ZINC000177042180 625622244 /nfs/dbraw/zinc/62/22/44/625622244.db2.gz JUJOLTLZPBYIPH-CPWXKJDLSA-N 0 0 304.390 2.259 10 30 DEEERN CC(=O)NCCn1c(C)csc1=Nc1ccccc1C#N ZINC000255323275 624164247 /nfs/dbraw/zinc/16/42/47/624164247.db2.gz AKDRCBCJPUFOAN-UHFFFAOYSA-N 0 0 300.387 2.098 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(-n2cccn2)nc1 ZINC000066305781 625080162 /nfs/dbraw/zinc/08/01/62/625080162.db2.gz IOVIWBSPHOJQBU-UHFFFAOYSA-N 0 0 310.279 2.458 10 30 DEEERN NC(=O)NCCCCC(=O)OCC#Cc1ccc(Cl)cc1 ZINC000177894848 625104732 /nfs/dbraw/zinc/10/47/32/625104732.db2.gz HFIDZVSZQZRMMX-UHFFFAOYSA-N 0 0 308.765 2.073 10 30 DEEERN C#C[C@H](OC(=O)c1cnn2cc(Br)cnc12)C1CC1 ZINC000091700962 625172094 /nfs/dbraw/zinc/17/20/94/625172094.db2.gz JAGPTWUNOLNKOO-NSHDSACASA-N 0 0 320.146 2.060 10 30 DEEERN C#C[C@H](C)NC(=O)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000186073066 633037650 /nfs/dbraw/zinc/03/76/50/633037650.db2.gz XOLIYFGIHATCAQ-ZDUSSCGKSA-N 0 0 305.447 2.159 10 30 DEEERN C#CCNC(=O)COC(=O)[C@H](CC)Oc1ccccc1C(C)C ZINC000733548664 633223854 /nfs/dbraw/zinc/22/38/54/633223854.db2.gz PSSWMAWAGMNCDN-HNNXBMFYSA-N 0 0 317.385 2.260 10 30 DEEERN C=C(COC(=O)Cn1c(C)nc2ccccc21)C(=O)OCC ZINC000734026675 633312761 /nfs/dbraw/zinc/31/27/61/633312761.db2.gz IRJDLYBQDPRQGQ-UHFFFAOYSA-N 0 0 302.330 2.007 10 30 DEEERN C=C(COC(=O)c1c(F)cccc1NC(C)=O)C(=O)OCC ZINC000734197513 633345203 /nfs/dbraw/zinc/34/52/03/633345203.db2.gz SDMPOMQJXRJGIP-UHFFFAOYSA-N 0 0 309.293 2.060 10 30 DEEERN CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)CSC(C)(C)C ZINC000125511112 633843630 /nfs/dbraw/zinc/84/36/30/633843630.db2.gz YXIWHBDCJOMADQ-LBPRGKRZSA-N 0 0 314.451 2.158 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)C(=O)C2(C(F)(F)F)CC2)c1 ZINC000726144735 636413981 /nfs/dbraw/zinc/41/39/81/636413981.db2.gz ZVZHBTNPIWAEIC-UHFFFAOYSA-N 0 0 324.302 2.407 10 30 DEEERN C#Cc1cccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)c1 ZINC000025158468 637399334 /nfs/dbraw/zinc/39/93/34/637399334.db2.gz CQKMPRWHXUGPMX-UHFFFAOYSA-N 0 0 317.348 2.096 10 30 DEEERN C#CCN(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)C1CCCC1 ZINC000194487637 637566523 /nfs/dbraw/zinc/56/65/23/637566523.db2.gz KSPLCPWECZLJLK-ZDUSSCGKSA-N 0 0 323.437 2.487 10 30 DEEERN C=C(COC(=O)c1ccccc1Cn1cccn1)C(=O)OCC ZINC000741346719 637970726 /nfs/dbraw/zinc/97/07/26/637970726.db2.gz QGSWNJFVRWUDBX-UHFFFAOYSA-N 0 0 314.341 2.208 10 30 DEEERN C#CCOc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1 ZINC000741519352 637992691 /nfs/dbraw/zinc/99/26/91/637992691.db2.gz NQTVFUIXAWDZGW-MRXNPFEDSA-N 0 0 323.348 2.268 10 30 DEEERN C#CCCCNC(=O)N[C@H](Cc1nccn1C)c1ccccc1 ZINC000743692123 638167624 /nfs/dbraw/zinc/16/76/24/638167624.db2.gz RCPCBCKBXYSIHZ-MRXNPFEDSA-N 0 0 310.401 2.417 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000743910437 638181574 /nfs/dbraw/zinc/18/15/74/638181574.db2.gz QBTJARVUYKKNFK-UHFFFAOYSA-N 0 0 318.348 2.225 10 30 DEEERN C#CCN1CCN(C(=O)CCCCC(=O)c2ccccc2)CC1 ZINC000744419077 638218453 /nfs/dbraw/zinc/21/84/53/638218453.db2.gz NXXNYJGIFMZNAO-UHFFFAOYSA-N 0 0 312.413 2.207 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)c1nc2ccccc2o1 ZINC000746649584 638365467 /nfs/dbraw/zinc/36/54/67/638365467.db2.gz NGGGXBLKWREEMI-HIFRSBDPSA-N 0 0 311.385 2.145 10 30 DEEERN COc1ccc(CNC(=O)NCC(C)(C)C[C@@H](C)O)cc1C#N ZINC000746775160 638377329 /nfs/dbraw/zinc/37/73/29/638377329.db2.gz HJGUJLKJLHIYNM-GFCCVEGCSA-N 0 0 319.405 2.163 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccnc(C)n1 ZINC000804937940 638425632 /nfs/dbraw/zinc/42/56/32/638425632.db2.gz MVIVZEHTZBHSEJ-MRXNPFEDSA-N 0 0 308.385 2.219 10 30 DEEERN CC(N=Nc1nc2[nH][nH]cc-2c(=O)n1)[C@H](C)C1CCCCC1 ZINC000747631642 638456137 /nfs/dbraw/zinc/45/61/37/638456137.db2.gz RPCXCPFZBWWKCI-VIFPVBQESA-N 0 0 302.382 2.436 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)Cn1cccn1 ZINC000804950523 638497628 /nfs/dbraw/zinc/49/76/28/638497628.db2.gz DWOAWPHIFZVYGE-DOTOQJQBSA-N 0 0 310.401 2.205 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C)[C@H](C)C1 ZINC000748347716 638544288 /nfs/dbraw/zinc/54/42/88/638544288.db2.gz FTGDZSDXNSVSGP-RHSMWYFYSA-N 0 0 315.417 2.124 10 30 DEEERN C=CCOCC(=O)OC[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000749076551 638613822 /nfs/dbraw/zinc/61/38/22/638613822.db2.gz UMKKIWGPYCCDTI-HNNXBMFYSA-N 0 0 317.385 2.285 10 30 DEEERN CCC(CC)NC(=O)[C@@H](C)OC(=O)Cc1cccc(C#N)c1 ZINC000750429042 638744002 /nfs/dbraw/zinc/74/40/02/638744002.db2.gz ARGLNZGHKLQPHL-GFCCVEGCSA-N 0 0 302.374 2.337 10 30 DEEERN N#Cc1cccc(CC(=O)OCC(=O)Nc2cccc(F)c2)c1 ZINC000750433738 638744699 /nfs/dbraw/zinc/74/46/99/638744699.db2.gz FZMOEWFZYAFEED-UHFFFAOYSA-N 0 0 312.300 2.422 10 30 DEEERN CN(C(=O)COC(=O)Cc1cccc(C#N)c1)C1CCCCC1 ZINC000750433164 638745115 /nfs/dbraw/zinc/74/51/15/638745115.db2.gz VCLMELXWGURNOR-UHFFFAOYSA-N 0 0 314.385 2.435 10 30 DEEERN C#Cc1cccc(N(CC)S(=O)(=O)c2cncn2CC)c1 ZINC000751246300 639068935 /nfs/dbraw/zinc/06/89/35/639068935.db2.gz MJIRCSCVLFGVEY-UHFFFAOYSA-N 0 0 303.387 2.100 10 30 DEEERN COc1ccc(CNC(=O)N2CCC[C@@H]2C[C@H](C)O)cc1C#N ZINC000752684626 639208697 /nfs/dbraw/zinc/20/86/97/639208697.db2.gz MAEZMGNZUSQEHF-SWLSCSKDSA-N 0 0 317.389 2.012 10 30 DEEERN C#CCN(C(=O)CCCCCCCC)[C@H]1CCS(=O)(=O)C1 ZINC000104309549 650481987 /nfs/dbraw/zinc/48/19/87/650481987.db2.gz BXXIWDGGOOYKGY-HNNXBMFYSA-N 0 0 313.463 2.386 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1cnn(-c2ccccc2)c1)C(C)(C)C ZINC000805146761 639840385 /nfs/dbraw/zinc/84/03/85/639840385.db2.gz KVTGUVVEADCLHU-OAHLLOKOSA-N 0 0 317.414 2.199 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2)C(C)(C)C ZINC000805146737 639840680 /nfs/dbraw/zinc/84/06/80/639840680.db2.gz KQNBXOHSLRMSCH-ABAIWWIYSA-N 0 0 307.415 2.336 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1cnc2onc(CC)c2c1)C(C)(C)C ZINC000805148983 639849274 /nfs/dbraw/zinc/84/92/74/639849274.db2.gz RWDDXCKOUVEKDP-CYBMUJFWSA-N 0 0 321.402 2.111 10 30 DEEERN CCOC(=O)C(C)(C)CC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000805192558 640151261 /nfs/dbraw/zinc/15/12/61/640151261.db2.gz HSWHTJQBPAKCMF-UHFFFAOYSA-N 0 0 318.373 2.162 10 30 DEEERN C=CCCC(=O)O[C@@H]1CCCC[C@H]1n1cc(C(=O)OC)nn1 ZINC000078701549 640649423 /nfs/dbraw/zinc/64/94/23/640649423.db2.gz NAEDIPRHJPZAAF-CHWSQXEVSA-N 0 0 307.350 2.058 10 30 DEEERN S=C(NCc1ccccc1)NN=Cc1cnn2ccccc12 ZINC000729633285 640819062 /nfs/dbraw/zinc/81/90/62/640819062.db2.gz LXHYQVQNOPNXFA-UHFFFAOYSA-N 0 0 309.398 2.333 10 30 DEEERN C#C[C@@H](NC(=O)N[C@@H](CO)CC=C)c1ccc(Cl)cc1F ZINC000805777553 643234013 /nfs/dbraw/zinc/23/40/13/643234013.db2.gz HZVHVDFMARJSPB-BXUZGUMPSA-N 0 0 310.756 2.390 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CO)CC1CC1 ZINC000805781875 643248028 /nfs/dbraw/zinc/24/80/28/643248028.db2.gz DIZCPYPKQKUUPC-DLBZAZTESA-N 0 0 300.402 2.081 10 30 DEEERN C#CC[C@@H](OC(=O)CO[C@@H](C)c1nccn1C)c1ccccn1 ZINC000805874995 643645311 /nfs/dbraw/zinc/64/53/11/643645311.db2.gz QNHZORTWUXUVJD-DZGCQCFKSA-N 0 0 313.357 2.201 10 30 DEEERN C#CC[C@H](OC(=O)CO[C@@H](C)c1nccn1C)c1ccccn1 ZINC000805874998 643646352 /nfs/dbraw/zinc/64/63/52/643646352.db2.gz QNHZORTWUXUVJD-ZFWWWQNUSA-N 0 0 313.357 2.201 10 30 DEEERN C=C(C)C[C@H](C)C(=O)O[C@H](C)C(=O)NCCc1ccncc1 ZINC000805974859 644064094 /nfs/dbraw/zinc/06/40/94/644064094.db2.gz NYHSPGDFMVAYQN-UONOGXRCSA-N 0 0 304.390 2.274 10 30 DEEERN C=CCOc1ccc(C(=O)O[C@@H]2CC(=O)N(C)[C@@H]2C)cc1OC ZINC000806063752 644467169 /nfs/dbraw/zinc/46/71/69/644467169.db2.gz FJHPTCACRWUCFD-BXUZGUMPSA-N 0 0 319.357 2.036 10 30 DEEERN C#CCC[C@H](O)CNC(=O)c1cnccc1Oc1ccccc1 ZINC000800559939 645287918 /nfs/dbraw/zinc/28/79/18/645287918.db2.gz BGIAABOLWCFDFW-AWEZNQCLSA-N 0 0 310.353 2.378 10 30 DEEERN C=CCCc1ccccc1NC(=O)Cn1cc([C@@H](C)O)nn1 ZINC000800591885 645290225 /nfs/dbraw/zinc/29/02/25/645290225.db2.gz FSYKOSXSSJEHAO-GFCCVEGCSA-N 0 0 300.362 2.089 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCC2(CCCC2)C1 ZINC000800775581 645303377 /nfs/dbraw/zinc/30/33/77/645303377.db2.gz PEVFTDWVBZDHFZ-AWEZNQCLSA-N 0 0 318.421 2.323 10 30 DEEERN N#Cc1ccc(-c2nnc(CN3CCO[C@H](C(F)F)C3)o2)cc1 ZINC000801566548 645417017 /nfs/dbraw/zinc/41/70/17/645417017.db2.gz OCNCQLOLWQBJPS-LBPRGKRZSA-N 0 0 320.299 2.074 10 30 DEEERN C#CCOc1ccc(NC(=O)N2CCO[C@H](C(F)F)C2)cc1 ZINC000801627057 645424987 /nfs/dbraw/zinc/42/49/87/645424987.db2.gz BUKKYFACKNXLTF-ZDUSSCGKSA-N 0 0 310.300 2.196 10 30 DEEERN C#CC[C@@H](NC(=O)Nc1nnc(OC)s1)c1ccccc1 ZINC000801747745 645437654 /nfs/dbraw/zinc/43/76/54/645437654.db2.gz XVDGPUVRGGUBKD-LLVKDONJSA-N 0 0 302.359 2.433 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCCO[C@@H](C)C#N ZINC000801830235 645445642 /nfs/dbraw/zinc/44/56/42/645445642.db2.gz RPUDEXYZAKYYPJ-XJKSGUPXSA-N 0 0 316.357 2.434 10 30 DEEERN C/C(=C/C(=O)OCCO[C@H](C)C#N)c1ccc([N+](=O)[O-])cc1 ZINC000801855634 645451417 /nfs/dbraw/zinc/45/14/17/645451417.db2.gz NHRCKELAVFKENI-UCQJPZFISA-N 0 0 304.302 2.470 10 30 DEEERN CC(C)(C)OC(=O)c1cnc(C(=O)OCC(C)(C)C#N)cn1 ZINC000802128365 645482980 /nfs/dbraw/zinc/48/29/80/645482980.db2.gz BVIJXYJMWLIGLY-UHFFFAOYSA-N 0 0 305.334 2.138 10 30 DEEERN C#C[C@H](C)Oc1ccc(COC(=O)CC2OCCCO2)cc1 ZINC000802810687 645562974 /nfs/dbraw/zinc/56/29/74/645562974.db2.gz AHKPRPRPFDVBJC-ZDUSSCGKSA-N 0 0 304.342 2.283 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N(CCC#N)c1ccccc1 ZINC000803697383 645680794 /nfs/dbraw/zinc/68/07/94/645680794.db2.gz CIFSGUCYBXZPHF-UHFFFAOYSA-N 0 0 322.364 2.139 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N[C@@H](C)c1cccs1 ZINC000803698407 645681791 /nfs/dbraw/zinc/68/17/91/645681791.db2.gz PFESZCCNQFQOGI-LBPRGKRZSA-N 0 0 303.383 2.131 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000803699030 645681866 /nfs/dbraw/zinc/68/18/66/645681866.db2.gz NKGOJLXWMQCWLJ-LBPRGKRZSA-N 0 0 301.317 2.359 10 30 DEEERN C#CCC(CC#C)C(=O)OCCOCC(F)(F)C(F)(F)F ZINC000803698902 645681960 /nfs/dbraw/zinc/68/19/60/645681960.db2.gz IEFPWTWPZJXFRQ-UHFFFAOYSA-N 0 0 312.234 2.407 10 30 DEEERN CC(=O)c1ccc(O)c(CCOC(=O)c2cc(C#N)ccn2)c1 ZINC000803846149 645703343 /nfs/dbraw/zinc/70/33/43/645703343.db2.gz VYZGEOLBFUTILH-UHFFFAOYSA-N 0 0 310.309 2.261 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)N1CCSCC1 ZINC000804457309 645774217 /nfs/dbraw/zinc/77/42/17/645774217.db2.gz SIEPVXGCUPWFMU-RDJZCZTQSA-N 0 0 316.470 2.175 10 30 DEEERN Cc1cc(C#N)nc(N(C)CCCNC(=O)OC(C)(C)C)n1 ZINC000804466391 645775985 /nfs/dbraw/zinc/77/59/85/645775985.db2.gz XBBDCPTZZQLVFH-UHFFFAOYSA-N 0 0 305.382 2.008 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCN(Cc2ccsc2)CC1 ZINC000806324521 645818948 /nfs/dbraw/zinc/81/89/48/645818948.db2.gz IFXSNTLSERXKNF-UHFFFAOYSA-N 0 0 300.427 2.055 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000806380258 645824469 /nfs/dbraw/zinc/82/44/69/645824469.db2.gz MNUYVHOFHZXIOY-AWEZNQCLSA-N 0 0 324.340 2.168 10 30 DEEERN C#C[C@@H](N[C@@H](C(=O)OC)c1cccc(C(=O)OC)c1)C(C)(C)C ZINC000806622298 645854039 /nfs/dbraw/zinc/85/40/39/645854039.db2.gz HRLIQIVQQLHPOA-HUUCEWRRSA-N 0 0 317.385 2.325 10 30 DEEERN C#CCN(C(=O)C(=O)NCCCCCCSC)C1CCCC1 ZINC000806887412 645883905 /nfs/dbraw/zinc/88/39/05/645883905.db2.gz XPAADIRSXRMJAC-UHFFFAOYSA-N 0 0 324.490 2.430 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](Cc1nccn1C)c1ccccc1 ZINC000806958120 645895050 /nfs/dbraw/zinc/89/50/50/645895050.db2.gz DREAVLMIFDOQDR-GOSISDBHSA-N 0 0 319.408 2.483 10 30 DEEERN C#Cc1cncc(C(=O)N2CCCC[C@H]2C(=O)OC(C)(C)C)c1 ZINC000807168361 645918031 /nfs/dbraw/zinc/91/80/31/645918031.db2.gz VSPVYKFPIPCGSA-HNNXBMFYSA-N 0 0 314.385 2.399 10 30 DEEERN C#Cc1cncc(C(=O)N(CCOC)Cc2scnc2C)c1 ZINC000807432302 645949912 /nfs/dbraw/zinc/94/99/12/645949912.db2.gz LKEVEWFNJCTVRV-UHFFFAOYSA-N 0 0 315.398 2.117 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](CO)CC=C ZINC000807465309 645953714 /nfs/dbraw/zinc/95/37/14/645953714.db2.gz ATKZKUPKSJZXLU-DLBZAZTESA-N 0 0 300.402 2.105 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CCO)C1 ZINC000807469027 645954683 /nfs/dbraw/zinc/95/46/83/645954683.db2.gz FCLURSAGUWDOBX-ZWKOTPCHSA-N 0 0 314.429 2.425 10 30 DEEERN C#CCCOC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000170717238 646660611 /nfs/dbraw/zinc/66/06/11/646660611.db2.gz ROKBEKWSKAXQHO-GFCCVEGCSA-N 0 0 303.383 2.328 10 30 DEEERN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCSC ZINC000171481441 646702033 /nfs/dbraw/zinc/70/20/33/646702033.db2.gz PXLXLCJZWJDBRB-NSHDSACASA-N 0 0 306.387 2.486 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000730282142 646889197 /nfs/dbraw/zinc/88/91/97/646889197.db2.gz GTYONWNEIMPKBY-KRWDZBQOSA-N 0 0 314.429 2.368 10 30 DEEERN C#CCN(C1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000153083975 647348673 /nfs/dbraw/zinc/34/86/73/647348673.db2.gz LJHMFPHYBFWZKF-UHFFFAOYSA-N 0 0 322.386 2.470 10 30 DEEERN C#CCOc1ccc(C(=O)N[C@@H](C(=O)OC)c2ccccc2)cc1 ZINC000153148642 647361921 /nfs/dbraw/zinc/36/19/21/647361921.db2.gz KDVBDXQKSQBOEE-QGZVFWFLSA-N 0 0 323.348 2.343 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H]1COC(=O)C1 ZINC000153355913 647425493 /nfs/dbraw/zinc/42/54/93/647425493.db2.gz BTSOGZYAYXOIAO-ZDUSSCGKSA-N 0 0 318.329 2.063 10 30 DEEERN CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H](C)Cc1ccccc1 ZINC000732583948 647627301 /nfs/dbraw/zinc/62/73/01/647627301.db2.gz JBLRYZJTKFLPPY-KSSFIOAISA-N 0 0 316.401 2.463 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2ncoc2-c2ccccc2)CCN1C1CC1 ZINC000732651010 647635893 /nfs/dbraw/zinc/63/58/93/647635893.db2.gz QDXYDYBFKCEXRQ-OAHLLOKOSA-N 0 0 322.368 2.154 10 30 DEEERN N#C[C@@H]1CN(C(=O)Cc2cc3ccccc3o2)CCN1C1CC1 ZINC000732647596 647635930 /nfs/dbraw/zinc/63/59/30/647635930.db2.gz GMRLBLIYQZIASI-OAHLLOKOSA-N 0 0 309.369 2.174 10 30 DEEERN N#C[C@H]1CN(C(=O)NCc2ccc(Cl)cc2)CCN1C1CC1 ZINC000732674174 647640032 /nfs/dbraw/zinc/64/00/32/647640032.db2.gz DKKYDPVYHCKMFZ-HNNXBMFYSA-N 0 0 318.808 2.222 10 30 DEEERN CC(C)n1ncc2cc(C=CC(=O)OCCCC#N)c(=O)[nH]c21 ZINC000180123224 648463284 /nfs/dbraw/zinc/46/32/84/648463284.db2.gz HHYBGZLHDHLGRG-AATRIKPKSA-N 0 0 314.345 2.166 10 30 DEEERN C#C[C@H](C)OC(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000180779586 648515025 /nfs/dbraw/zinc/51/50/25/648515025.db2.gz FOCVVHOQQYYFNW-ZDUSSCGKSA-N 0 0 304.365 2.146 10 30 DEEERN C=CCNC(=O)CNC(=O)Nc1ccc(N(CC)C(C)C)cc1 ZINC000182031713 648814321 /nfs/dbraw/zinc/81/43/21/648814321.db2.gz URUYOCXCNIFHSG-UHFFFAOYSA-N 0 0 318.421 2.345 10 30 DEEERN C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H](C)C(C)C ZINC000184579296 649307616 /nfs/dbraw/zinc/30/76/16/649307616.db2.gz WTHIIUNZLFGITG-CYBMUJFWSA-N 0 0 302.374 2.045 10 30 DEEERN C#CCCNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000733247919 649463710 /nfs/dbraw/zinc/46/37/10/649463710.db2.gz SRTFKHFNGXSIBY-UHFFFAOYSA-N 0 0 318.174 2.388 10 30 DEEERN COCc1csc(NC(=O)Cc2ccc(OCC#N)cc2)n1 ZINC000115241581 652128985 /nfs/dbraw/zinc/12/89/85/652128985.db2.gz JMSWGOHSANVJGF-UHFFFAOYSA-N 0 0 317.370 2.373 10 30 DEEERN C[C@@H](NC(=O)c1ccco1)C(=O)[C@H](C#N)c1nc2ccccc2o1 ZINC000041546655 683891152 /nfs/dbraw/zinc/89/11/52/683891152.db2.gz NWBPYCXWEQZRSM-MNOVXSKESA-N 0 0 323.308 2.416 10 30 DEEERN C#CCN(CC#C)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000075398841 683936073 /nfs/dbraw/zinc/93/60/73/683936073.db2.gz FBTBQAPQLNIQFK-UHFFFAOYSA-N 0 0 324.424 2.199 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](C)C(C)C ZINC000076334446 683942268 /nfs/dbraw/zinc/94/22/68/683942268.db2.gz NJQMERGYIZKFPN-GFCCVEGCSA-N 0 0 320.364 2.185 10 30 DEEERN COCCOc1ccccc1COC(=O)c1cc(C#N)cn1C ZINC000083973634 684000862 /nfs/dbraw/zinc/00/08/62/684000862.db2.gz KQQYAGQSFCAPMX-UHFFFAOYSA-N 0 0 314.341 2.279 10 30 DEEERN C=CCC[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC000089318519 684022028 /nfs/dbraw/zinc/02/20/28/684022028.db2.gz CISGLJAFOAPYFQ-SNVBAGLBSA-N 0 0 315.391 2.350 10 30 DEEERN C#CCOCCC(=O)N(CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000124013716 684130693 /nfs/dbraw/zinc/13/06/93/684130693.db2.gz YVKUFKRKTDJRCJ-UHFFFAOYSA-N 0 0 302.330 2.149 10 30 DEEERN COc1ccc(/C=C2/N=C(c3cccnc3)OC2=O)cc1C#N ZINC000130164423 684185520 /nfs/dbraw/zinc/18/55/20/684185520.db2.gz VZOVHDYVXQUIKY-RIYZIHGNSA-N 0 0 305.293 2.306 10 30 DEEERN C#CCSCCNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000130233873 684186768 /nfs/dbraw/zinc/18/67/68/684186768.db2.gz GBAUNUUNFCYIMI-WFASDCNBSA-N 0 0 316.426 2.377 10 30 DEEERN COC[C@@H](OC(=O)CCc1c(C)nn(CCC#N)c1C)C1CC1 ZINC000131895583 684203422 /nfs/dbraw/zinc/20/34/22/684203422.db2.gz OIDWICDIKYBENP-MRXNPFEDSA-N 0 0 319.405 2.314 10 30 DEEERN CNC(=O)[C@H](C#N)C(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000132679042 684212306 /nfs/dbraw/zinc/21/23/06/684212306.db2.gz ZDAGHDJNMPHFPE-BXKDBHETSA-N 0 0 323.190 2.398 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCC1([C@@H](O)c2ccccc2)CC1 ZINC000155905543 684282639 /nfs/dbraw/zinc/28/26/39/684282639.db2.gz WASVLUPQRYYJFJ-INIZCTEOSA-N 0 0 309.369 2.140 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(O)c(O)c1 ZINC000159132418 684309971 /nfs/dbraw/zinc/30/99/71/684309971.db2.gz GYOVIMBRWIXAJG-NSHDSACASA-N 0 0 312.325 2.053 10 30 DEEERN C=CCn1nnn(CN2CCC[C@@H](C(F)(F)F)C2)c1=S ZINC000193989782 685054360 /nfs/dbraw/zinc/05/43/60/685054360.db2.gz JTYYGCXKOZMKQJ-SECBINFHSA-N 0 0 307.345 2.227 10 30 DEEERN C=CCSCCNC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000194507724 685067975 /nfs/dbraw/zinc/06/79/75/685067975.db2.gz YXNSYXWQNDAKHJ-AWEZNQCLSA-N 0 0 318.442 2.383 10 30 DEEERN C=C(Br)COC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000194948612 685082175 /nfs/dbraw/zinc/08/21/75/685082175.db2.gz BKANRJJPHDSFOJ-SNVBAGLBSA-N 0 0 304.184 2.085 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CN1C[C@@H](C)OC[C@H]1C ZINC000246171016 685124803 /nfs/dbraw/zinc/12/48/03/685124803.db2.gz JCJUANRKHXAECU-CHWSQXEVSA-N 0 0 311.389 2.192 10 30 DEEERN N#C[C@H](C(=O)NC1CC1)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000250485334 685189970 /nfs/dbraw/zinc/18/99/70/685189970.db2.gz KVSUBRZBZFQMMT-RDBSUJKOSA-N 0 0 302.761 2.431 10 30 DEEERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(O)=C(C#N)C(=O)NC(C)C ZINC000588447742 777209757 /nfs/dbraw/zinc/20/97/57/777209757.db2.gz VXFQCFKMUILYNE-MSKHEQNASA-N 0 0 315.329 2.232 10 30 DEEERN CON=Cc1ccc(C(=O)O[C@H](C)CCn2cccn2)cc1 ZINC000588448147 777210827 /nfs/dbraw/zinc/21/08/27/777210827.db2.gz NNDOHSBXHSECID-CYBMUJFWSA-N 0 0 301.346 2.499 10 30 DEEERN CCCCCCCCC(=O)NCC1(S(N)(=O)=O)CCC1 ZINC000721535934 777498618 /nfs/dbraw/zinc/49/86/18/777498618.db2.gz PPLSAIBYAAPJPJ-UHFFFAOYSA-N 0 0 304.456 2.064 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=S)N[C@@H](C)COC ZINC000745018716 784656527 /nfs/dbraw/zinc/65/65/27/784656527.db2.gz DSEOJBBTMLCSLS-LBPRGKRZSA-N 0 0 323.418 2.492 10 30 DEEERN C=CCn1c(C)cc(C(=O)COC(=O)[C@H]2CCC[C@H]2O)c1C ZINC000745336600 784710771 /nfs/dbraw/zinc/71/07/71/784710771.db2.gz KNGAZZWUIWMBTC-DZGCQCFKSA-N 0 0 305.374 2.178 10 30 DEEERN Cc1nc(NCC[C@@H]2CCCS2(=O)=O)c(Cl)cc1C#N ZINC000714330703 792308785 /nfs/dbraw/zinc/30/87/85/792308785.db2.gz MIOVKLOTGIPFIN-NSHDSACASA-N 0 0 313.810 2.294 10 30 DEEERN CC1CC(C#N)(C(=O)NCc2ncc(Br)s2)C1 ZINC000714620328 792320814 /nfs/dbraw/zinc/32/08/14/792320814.db2.gz ZBZXTVKBVIEHDL-UHFFFAOYSA-N 0 0 314.208 2.462 10 30 DEEERN C#CC[C@@H](COC)NCc1snc(OC)c1Br ZINC000716829385 793008251 /nfs/dbraw/zinc/00/82/51/793008251.db2.gz RPGWWWQUNTXHKR-QMMMGPOBSA-N 0 0 319.224 2.042 10 30 DEEERN C#CC[C@@H](COC)NC(=O)c1cc(Br)cn1CC ZINC000716850006 793009766 /nfs/dbraw/zinc/00/97/66/793009766.db2.gz WALYTYPNHNTXDC-NSHDSACASA-N 0 0 313.195 2.039 10 30 DEEERN C[C@H](NC(=O)Cn1nnc2ccccc21)c1ccc(C#N)cc1 ZINC000045218784 1078355745 /nfs/dbraw/zinc/35/57/45/1078355745.db2.gz VURQUGIAICHXJI-LBPRGKRZSA-N 0 0 305.341 2.180 10 30 DEEERN COC(C)(C)[C@H](C)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000720054954 1089445424 /nfs/dbraw/zinc/44/54/24/1089445424.db2.gz VDLLXHLDUHSOIS-VIFPVBQESA-N 0 0 316.810 2.303 10 30 DEEERN C=CCCC[C@H](C)NC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000355790573 1138321184 /nfs/dbraw/zinc/32/11/84/1138321184.db2.gz ZQKDDCSNSFJXNM-RYUDHWBXSA-N 0 0 308.344 2.111 10 30 DEEERN N#Cc1cccc(NC(=O)[C@H]2NC(=O)O[C@@H]2c2ccccc2)c1 ZINC000074695062 185009960 /nfs/dbraw/zinc/00/99/60/185009960.db2.gz KVEFORXLRFHTOV-LSDHHAIUSA-N 0 0 307.309 2.346 10 30 DEEERN C=CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](CCF)C1 ZINC000624827393 365562161 /nfs/dbraw/zinc/56/21/61/365562161.db2.gz ICVZVPXOXUDTIM-ZIAGYGMSSA-N 0 0 324.400 2.271 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000612399408 361815738 /nfs/dbraw/zinc/81/57/38/361815738.db2.gz AHXMMKYHPPCZNQ-ZIAGYGMSSA-N 0 0 322.430 2.119 10 30 DEEERN C=CCN(CCC)S(=O)(=O)c1ccc(OCCCO)cc1 ZINC000162531402 197572732 /nfs/dbraw/zinc/57/27/32/197572732.db2.gz OLEAUCKMOFLYFO-UHFFFAOYSA-N 0 0 313.419 2.035 10 30 DEEERN CN(CC(=O)N1CCC[C@](C)(C#N)C1)c1ccc(Cl)cn1 ZINC000612368339 361805674 /nfs/dbraw/zinc/80/56/74/361805674.db2.gz WGVMDLZYNBHZML-OAHLLOKOSA-N 0 0 306.797 2.323 10 30 DEEERN C=C(C)Cn1c(-c2ccccn2)nnc1N1CC2(C1)CCCO2 ZINC000624967564 365602095 /nfs/dbraw/zinc/60/20/95/365602095.db2.gz NMLXAQWOGMNSQY-UHFFFAOYSA-N 0 0 311.389 2.285 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](CO)C[C@H]1C ZINC000624973377 365602745 /nfs/dbraw/zinc/60/27/45/365602745.db2.gz GEIXUAMFRXHIRA-RBSFLKMASA-N 0 0 320.437 2.303 10 30 DEEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[C@@H](C)O[C@@H](C)C1 ZINC000624998311 365610195 /nfs/dbraw/zinc/61/01/95/365610195.db2.gz TYSOQUJMCJHJQI-OLZOCXBDSA-N 0 0 316.409 2.248 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000278488689 214187208 /nfs/dbraw/zinc/18/72/08/214187208.db2.gz LGRRTFAJWZBPGH-DGCLKSJQSA-N 0 0 308.765 2.359 10 30 DEEERN C=CCNC(=O)c1csc(NC(=O)Cc2ccccc2)n1 ZINC000096752200 185386272 /nfs/dbraw/zinc/38/62/72/185386272.db2.gz ZTCOTXNPQUZMGG-UHFFFAOYSA-N 0 0 301.371 2.240 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1nc(C2CC2)cs1 ZINC000612525309 361852051 /nfs/dbraw/zinc/85/20/51/361852051.db2.gz UHPUTUHGRPJYNS-GFCCVEGCSA-N 0 0 307.419 2.108 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000612601285 361871050 /nfs/dbraw/zinc/87/10/50/361871050.db2.gz OYNHWXHREJQVCM-CVEARBPZSA-N 0 0 322.449 2.455 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(C2CCOCC2)CC1 ZINC000612876451 361938237 /nfs/dbraw/zinc/93/82/37/361938237.db2.gz WUKGVQXOEHRHLE-KRWDZBQOSA-N 0 0 322.449 2.123 10 30 DEEERN C=CCCOCCNC(=O)c1ccc(Nc2ccn(C)n2)cc1 ZINC000613016173 361982537 /nfs/dbraw/zinc/98/25/37/361982537.db2.gz BPEPYYAOTLFGAD-UHFFFAOYSA-N 0 0 314.389 2.486 10 30 DEEERN CC[C@@H](CC#N)NC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000188838561 529447413 /nfs/dbraw/zinc/44/74/13/529447413.db2.gz OYHOYZAXAHRMAB-SDDRHHMPSA-N 0 0 313.373 2.142 10 30 DEEERN C=CCN(CC)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000165235318 197672608 /nfs/dbraw/zinc/67/26/08/197672608.db2.gz UOPHSILUFFZAQV-UHFFFAOYSA-N 0 0 304.755 2.445 10 30 DEEERN CC[C@H](NC(=O)N1CCC(C#N)CC1)c1c(C)nn(C)c1C ZINC000408253263 529487589 /nfs/dbraw/zinc/48/75/89/529487589.db2.gz FXWFMMONTURLNQ-AWEZNQCLSA-N 0 0 303.410 2.433 10 30 DEEERN COc1ccc(Br)cc1[C@@H](C#N)N1CCN(C)CC1 ZINC000088045068 185238014 /nfs/dbraw/zinc/23/80/14/185238014.db2.gz WEOVEKWZNOEOPI-CYBMUJFWSA-N 0 0 324.222 2.270 10 30 DEEERN CC[C@H](C#N)S(=O)(=O)c1ccc(Br)cc1N ZINC000088064673 185238651 /nfs/dbraw/zinc/23/86/51/185238651.db2.gz HLLGAQJSXXPGKC-MRVPVSSYSA-N 0 0 303.181 2.107 10 30 DEEERN CCN[C@@H](C#N)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000088086822 185239395 /nfs/dbraw/zinc/23/93/95/185239395.db2.gz GSEUZBPYEMGMIU-VIFPVBQESA-N 0 0 314.139 2.238 10 30 DEEERN CC[C@@H](C)C[C@@H](C)NS(=O)(=O)c1cccc(C#CCO)c1 ZINC000088310836 185245180 /nfs/dbraw/zinc/24/51/80/185245180.db2.gz FFFHWGMQUUWROD-ZIAGYGMSSA-N 0 0 309.431 2.133 10 30 DEEERN CCn1cnnc1-c1ccccc1NC(=O)c1cc(C#N)cn1C ZINC000176733863 282200412 /nfs/dbraw/zinc/20/04/12/282200412.db2.gz TUOAIFTZJJJEIV-UHFFFAOYSA-N 0 0 320.356 2.427 10 30 DEEERN Cc1c(C#CCCO)cccc1C(=O)NCc1nccs1 ZINC000088443270 185250999 /nfs/dbraw/zinc/25/09/99/185250999.db2.gz ONAQAQMYJUBSPM-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN N#Cc1ccc(NCc2ccc(S(N)(=O)=O)o2)cc1Cl ZINC000088538931 185255318 /nfs/dbraw/zinc/25/53/18/185255318.db2.gz RHHLCHRMXXRHGQ-UHFFFAOYSA-N 0 0 311.750 2.064 10 30 DEEERN Cc1nnc2sc(C(=O)N(C)C[C@H](C)C#N)c(N)c2c1C ZINC000088642114 185261099 /nfs/dbraw/zinc/26/10/99/185261099.db2.gz WVZRDUPMLOAVCR-SSDOTTSWSA-N 0 0 303.391 2.122 10 30 DEEERN C=CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166018401 197686598 /nfs/dbraw/zinc/68/65/98/197686598.db2.gz XZSAVRVYYSSVFR-UHFFFAOYSA-N 0 0 311.146 2.366 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)c1ccncc1CC ZINC000613245376 362055187 /nfs/dbraw/zinc/05/51/87/362055187.db2.gz ADLLHTAKQOTQQH-MLGOLLRUSA-N 0 0 303.406 2.292 10 30 DEEERN C=C[C@H](O)C(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000613388285 362098050 /nfs/dbraw/zinc/09/80/50/362098050.db2.gz UAKCIYRFSAXKLO-STQMWFEESA-N 0 0 315.291 2.152 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C2CCCC2)nn1C ZINC000613393481 362099923 /nfs/dbraw/zinc/09/99/23/362099923.db2.gz YAUOCZONCKEHAO-HNNXBMFYSA-N 0 0 318.421 2.487 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(Cc2ccccc2)C1 ZINC000613332361 362082866 /nfs/dbraw/zinc/08/28/66/362082866.db2.gz ZYKSDTHPJBFDDO-QGZVFWFLSA-N 0 0 300.402 2.158 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)C[C@]1(OC(C)C)CCOC1 ZINC000625325459 365729907 /nfs/dbraw/zinc/72/99/07/365729907.db2.gz AYFDDHQMPICCPS-HNNXBMFYSA-N 0 0 319.467 2.092 10 30 DEEERN Cc1ccccc1OCC#CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000090729416 185311570 /nfs/dbraw/zinc/31/15/70/185311570.db2.gz VFECWZFTNOSNSI-UHFFFAOYSA-N 0 0 314.297 2.308 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000613495966 362129128 /nfs/dbraw/zinc/12/91/28/362129128.db2.gz XICZGJAJUYPOND-IRXDYDNUSA-N 0 0 322.449 2.265 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1c(Cl)cccc1OC ZINC000613915823 362244921 /nfs/dbraw/zinc/24/49/21/362244921.db2.gz MXZYEAANYGTRFQ-CQSZACIVSA-N 0 0 324.808 2.436 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)CCc2scnc2C)C1 ZINC000625355980 365744745 /nfs/dbraw/zinc/74/47/45/365744745.db2.gz XMWMUQGRDUEHCV-GFCCVEGCSA-N 0 0 300.449 2.222 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(Cc1ccccn1)C1CC1 ZINC000625369728 365751226 /nfs/dbraw/zinc/75/12/26/365751226.db2.gz KUUJLPASQJCIHK-UHFFFAOYSA-N 0 0 315.417 2.291 10 30 DEEERN CCc1nc(C(C)(C)NCCOc2cccc(C#N)c2)no1 ZINC000441242730 529714443 /nfs/dbraw/zinc/71/44/43/529714443.db2.gz GIWDZNZBPOULTI-UHFFFAOYSA-N 0 0 300.362 2.407 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@@H](C)c1ccccn1 ZINC000625447137 365789777 /nfs/dbraw/zinc/78/97/77/365789777.db2.gz YKHKGVCPXTYTQG-ZDUSSCGKSA-N 0 0 303.406 2.320 10 30 DEEERN CN(C)c1ncc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cn1 ZINC000188880499 529811497 /nfs/dbraw/zinc/81/14/97/529811497.db2.gz BNAZECGRKZZDHV-UHFFFAOYSA-N 0 0 307.357 2.085 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](CC(F)(F)F)C1 ZINC000614026079 362265513 /nfs/dbraw/zinc/26/55/13/362265513.db2.gz DTTNTWJBXBPQEO-VXGBXAGGSA-N 0 0 306.328 2.258 10 30 DEEERN N#Cc1cc(O)cc(C(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000614293235 362340406 /nfs/dbraw/zinc/34/04/06/362340406.db2.gz DDVWNVYXZHTWGJ-UHFFFAOYSA-N 0 0 307.353 2.226 10 30 DEEERN C=CCC1(C(=O)Nc2nnc3[n-][nH+]c(C)c(C)c2-3)CCOCC1 ZINC000614649616 362428712 /nfs/dbraw/zinc/42/87/12/362428712.db2.gz HFQRROUMUMWCPM-UHFFFAOYSA-N 0 0 315.377 2.281 10 30 DEEERN N#C[C@]1(F)CCN(C(=O)NCc2ccccc2-n2cccn2)C1 ZINC000615537461 362631820 /nfs/dbraw/zinc/63/18/20/362631820.db2.gz YQBMWAXBIMFXPC-MRXNPFEDSA-N 0 0 313.336 2.019 10 30 DEEERN C=C(CC)CNC(=O)CN1CC[C@H](c2ccccc2)NC1=O ZINC000616116840 362775805 /nfs/dbraw/zinc/77/58/05/362775805.db2.gz WHINSEIBRLRBNZ-OAHLLOKOSA-N 0 0 301.390 2.225 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@]2(CCSC2)C1 ZINC000616113334 362774296 /nfs/dbraw/zinc/77/42/96/362774296.db2.gz JSHWUDKKCAYCKF-ZBFHGGJFSA-N 0 0 310.463 2.203 10 30 DEEERN CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000356965812 282562132 /nfs/dbraw/zinc/56/21/32/282562132.db2.gz BPMCNWGBBPIAPL-CQSZACIVSA-N 0 0 305.422 2.320 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCC(OCCCO)CC2)cc1 ZINC000159269852 539581264 /nfs/dbraw/zinc/58/12/64/539581264.db2.gz LQBIQJQDBSWFNO-UHFFFAOYSA-N 0 0 319.401 2.255 10 30 DEEERN Cc1ccc(C(=O)N2CCSC[C@H]2C)cc1C#CCCO ZINC000130159853 185942095 /nfs/dbraw/zinc/94/20/95/185942095.db2.gz UAKHNVJFKHCCQD-CQSZACIVSA-N 0 0 303.427 2.306 10 30 DEEERN COCCN(CCC#N)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000071229680 190946395 /nfs/dbraw/zinc/94/63/95/190946395.db2.gz UJERFWHGBRJCEK-UHFFFAOYSA-N 0 0 311.725 2.250 10 30 DEEERN CN(c1cccc(N)c1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000071238160 190947438 /nfs/dbraw/zinc/94/74/38/190947438.db2.gz NJDGQULBRDGZQX-UHFFFAOYSA-N 0 0 305.334 2.105 10 30 DEEERN COC(=O)[C@H](C)N1C(=O)c2c(cccc2C(F)(F)F)C1C#N ZINC000071681158 191007698 /nfs/dbraw/zinc/00/76/98/191007698.db2.gz GMJLKAXCUFQHKE-XVKPBYJWSA-N 0 0 312.247 2.287 10 30 DEEERN Cc1ccc(C(=O)N2CCS[C@H](C)[C@H]2C)c(C#CCO)c1 ZINC000133635435 186001531 /nfs/dbraw/zinc/00/15/31/186001531.db2.gz LFTULQNXZPRPPF-ZIAGYGMSSA-N 0 0 303.427 2.305 10 30 DEEERN C=CCNC(=O)N1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000080612205 192172883 /nfs/dbraw/zinc/17/28/83/192172883.db2.gz RHLKILRAAZGVFO-LLVKDONJSA-N 0 0 321.343 2.005 10 30 DEEERN CSC1(C#N)CCN(S(=O)(=O)CCc2ccccc2)CC1 ZINC000149396425 186049543 /nfs/dbraw/zinc/04/95/43/186049543.db2.gz OMBVMZJBTADRIZ-UHFFFAOYSA-N 0 0 324.471 2.280 10 30 DEEERN Cc1ncsc1C(=O)NCc1sccc1C#CCCO ZINC000148626193 186045172 /nfs/dbraw/zinc/04/51/72/186045172.db2.gz CIQGGQWBZSBFEW-UHFFFAOYSA-N 0 0 306.412 2.177 10 30 DEEERN Cn1cc([C@]2(C)CN(c3snc(Cl)c3C#N)CCO2)cn1 ZINC000268353119 282683659 /nfs/dbraw/zinc/68/36/59/282683659.db2.gz AHLQTRVQXBKQMZ-ZDUSSCGKSA-N 0 0 323.809 2.154 10 30 DEEERN C[C@H](NC(=O)CSCC#N)c1ccccc1-n1cccn1 ZINC000159619072 186131159 /nfs/dbraw/zinc/13/11/59/186131159.db2.gz XYIJOJMGKBOMNG-LBPRGKRZSA-N 0 0 300.387 2.306 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCCc1c[nH]c2ccccc12 ZINC000186055344 186236344 /nfs/dbraw/zinc/23/63/44/186236344.db2.gz GEFGLKACBKRERF-AWEZNQCLSA-N 0 0 301.390 2.337 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626016755 366007251 /nfs/dbraw/zinc/00/72/51/366007251.db2.gz KCPMJJFFQMANQY-AAEUAGOBSA-N 0 0 308.344 2.063 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)NCc1ccco1 ZINC000617037428 363006849 /nfs/dbraw/zinc/00/68/49/363006849.db2.gz NCAXIYSZTYPBQZ-HIFRSBDPSA-N 0 0 319.405 2.330 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000617040623 363006974 /nfs/dbraw/zinc/00/69/74/363006974.db2.gz WOELVRRUXIRFAL-IAQYHMDHSA-N 0 0 312.369 2.435 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CNC(=O)c1cccnc1 ZINC000617039282 363006997 /nfs/dbraw/zinc/00/69/97/363006997.db2.gz FNAPFWBXZZFZOP-DZGCQCFKSA-N 0 0 301.390 2.063 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000617042709 363007825 /nfs/dbraw/zinc/00/78/25/363007825.db2.gz VFKHCXUFDMWRGA-RQJABVFESA-N 0 0 301.452 2.307 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CNc1ccccc1C(N)=O ZINC000617042194 363008203 /nfs/dbraw/zinc/00/82/03/363008203.db2.gz OPOUJVDHTQYJMA-HIFRSBDPSA-N 0 0 315.417 2.449 10 30 DEEERN C=CC1CCN(C(=O)NCc2cccnc2-n2cccn2)CC1 ZINC000171834349 197993391 /nfs/dbraw/zinc/99/33/91/197993391.db2.gz CKHOAGVNXPYVDK-UHFFFAOYSA-N 0 0 311.389 2.375 10 30 DEEERN Cn1cc([C@H]2CCN(C(=O)/C=C/c3ccccc3C#N)C2)cn1 ZINC000172262159 198067594 /nfs/dbraw/zinc/06/75/94/198067594.db2.gz WRSYBADPXQJVON-MOEXGYKKSA-N 0 0 306.369 2.321 10 30 DEEERN C=CCCC1(CNC(=O)[C@H](C)CS(C)(=O)=O)CCCC1 ZINC000617417000 363128170 /nfs/dbraw/zinc/12/81/70/363128170.db2.gz HNOYANPZBZWUBA-CYBMUJFWSA-N 0 0 301.452 2.310 10 30 DEEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H](C)[C@H]2CCOC2)cn1 ZINC000328768671 539910748 /nfs/dbraw/zinc/91/07/48/539910748.db2.gz GDJBWSYDLUVZOK-PAPYEOQZSA-N 0 0 307.394 2.362 10 30 DEEERN C=CCN(C(=O)c1cc2c(cc1OC)OCO2)[C@@H](C)COC ZINC000617582394 363196159 /nfs/dbraw/zinc/19/61/59/363196159.db2.gz MNALXBBFXBUZBJ-NSHDSACASA-N 0 0 307.346 2.087 10 30 DEEERN C=CCN(C(=O)c1cccc(-n2cc[nH]c2=O)c1)[C@H](C)COC ZINC000617584763 363197347 /nfs/dbraw/zinc/19/73/47/363197347.db2.gz KZAPNZSNNCJIKA-CYBMUJFWSA-N 0 0 315.373 2.241 10 30 DEEERN C=CCCNC(=O)c1cccc(-c2nnc(CCOC)o2)c1 ZINC000617617202 363203889 /nfs/dbraw/zinc/20/38/89/363203889.db2.gz ZZXBDDPGZHNCJF-UHFFFAOYSA-N 0 0 301.346 2.231 10 30 DEEERN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000175193994 198441747 /nfs/dbraw/zinc/44/17/47/198441747.db2.gz SYPDXOSGZQQDCP-NEPJUHHUSA-N 0 0 315.417 2.443 10 30 DEEERN N#Cc1ccc([C@@H]([C@@H](O)Cc2ccc(F)cc2)n2cncn2)cc1 ZINC000003604394 181039698 /nfs/dbraw/zinc/03/96/98/181039698.db2.gz SLJZVZKQYSKYNV-ROUUACIJSA-N 0 0 322.343 2.482 10 30 in-man DEEERN C=CC[C@H]1CCN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 ZINC000626307268 366142386 /nfs/dbraw/zinc/14/23/86/366142386.db2.gz UGNBQUHTZOHMKU-NSHDSACASA-N 0 0 301.346 2.447 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)C1 ZINC000626397596 366173446 /nfs/dbraw/zinc/17/34/46/366173446.db2.gz NCOPNWCCSXBXSA-GFCCVEGCSA-N 0 0 323.418 2.488 10 30 DEEERN C#CCCN1CCN(C(=O)CSc2ccccc2C)CC1 ZINC000064443090 354667832 /nfs/dbraw/zinc/66/78/32/354667832.db2.gz FWCHAASPLJTCRH-UHFFFAOYSA-N 0 0 302.443 2.255 10 30 DEEERN C=CCOc1ccc(CC(=O)NCCO[C@H]2CC2(F)F)cc1 ZINC000618135226 363390841 /nfs/dbraw/zinc/39/08/41/363390841.db2.gz GPUHCEKCLTZRAW-AWEZNQCLSA-N 0 0 311.328 2.334 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NCC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000408466862 283057024 /nfs/dbraw/zinc/05/70/24/283057024.db2.gz MRDBAFAFSHFLSZ-SRVKXCTJSA-N 0 0 303.328 2.069 10 30 DEEERN C=CCNC(=O)C(=O)Nc1scc(C(C)C)c1C(=O)OCC ZINC000072606964 354908377 /nfs/dbraw/zinc/90/83/77/354908377.db2.gz RESIGDJEJFEBQH-UHFFFAOYSA-N 0 0 324.402 2.289 10 30 DEEERN C=CCc1cc(C(=O)NCc2ccnn2C)cc(OC)c1OC ZINC000073504432 354964179 /nfs/dbraw/zinc/96/41/79/354964179.db2.gz TWMJOLYPJPWHBC-UHFFFAOYSA-N 0 0 315.373 2.096 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)C1CCCCC1 ZINC000075999499 355118668 /nfs/dbraw/zinc/11/86/68/355118668.db2.gz XDPQNEBRCCJPJA-XJKSGUPXSA-N 0 0 316.401 2.383 10 30 DEEERN COc1cc(OC)cc([C@H]2CCN(c3nccnc3C#N)C2)c1 ZINC000081029387 355402401 /nfs/dbraw/zinc/40/24/01/355402401.db2.gz VXQHXRCPYRDRRD-LBPRGKRZSA-N 0 0 310.357 2.359 10 30 DEEERN CCN(CCC#N)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000081040405 355404342 /nfs/dbraw/zinc/40/43/42/355404342.db2.gz BOGDCOMOXFEGNW-UHFFFAOYSA-N 0 0 302.403 2.209 10 30 DEEERN C=CCc1cc(C(=O)NC[C@@H]2CCC[C@H]2O)cc(OC)c1OC ZINC000080969068 355396998 /nfs/dbraw/zinc/39/69/98/355396998.db2.gz NZQBGOVJCAECRB-DZGCQCFKSA-N 0 0 319.401 2.323 10 30 DEEERN C#CCCN1CCN(c2nccc(OCc3ccccc3)n2)CC1 ZINC000089594079 355537489 /nfs/dbraw/zinc/53/74/89/355537489.db2.gz RZPSECDPPUVTQH-UHFFFAOYSA-N 0 0 322.412 2.201 10 30 DEEERN CC[C@H]1C(=O)NCCN1c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092666505 355645173 /nfs/dbraw/zinc/64/51/73/355645173.db2.gz HWURSADBWQFEKM-AWEZNQCLSA-N 0 0 314.776 2.475 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CCN(CC(F)F)CC1 ZINC000148205589 355914723 /nfs/dbraw/zinc/91/47/23/355914723.db2.gz NBOSPZWXVGDEEN-UHFFFAOYSA-N 0 0 310.344 2.274 10 30 DEEERN CCOC(=O)C[C@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180607048 356054310 /nfs/dbraw/zinc/05/43/10/356054310.db2.gz ZPALTITUOMZXIQ-LBPRGKRZSA-N 0 0 300.358 2.313 10 30 DEEERN C[C@H](NC(=O)NCCCCC#N)c1ccc(-n2ccnn2)cc1 ZINC000179131692 356015185 /nfs/dbraw/zinc/01/51/85/356015185.db2.gz KTTCUVXCMVWOBF-ZDUSSCGKSA-N 0 0 312.377 2.321 10 30 DEEERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1c[nH]c(C#N)c1 ZINC000181162575 356073747 /nfs/dbraw/zinc/07/37/47/356073747.db2.gz MPOFKTGFAMOPCK-UHFFFAOYSA-N 0 0 305.341 2.344 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N1CCN(c2cccnn2)CC1 ZINC000181393325 356079575 /nfs/dbraw/zinc/07/95/75/356079575.db2.gz UIGRFBXXCNPDFW-CQSZACIVSA-N 0 0 303.410 2.053 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCc1ccc(OC)cc1Cl ZINC000183738766 356179662 /nfs/dbraw/zinc/17/96/62/356179662.db2.gz DGJTXHNGTSCEOX-LBPRGKRZSA-N 0 0 312.797 2.127 10 30 DEEERN N#Cc1cc(I)nc(OC(F)(F)F)c1 ZINC000238526261 356304142 /nfs/dbraw/zinc/30/41/42/356304142.db2.gz KDVCGLCAZVCHQM-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN NC(=S)NN=Cc1cc(Br)ccc1OC(F)F ZINC000252448094 356334089 /nfs/dbraw/zinc/33/40/89/356334089.db2.gz RVKZNRKHQIRQBE-UHFFFAOYSA-N 0 0 324.150 2.218 10 30 DEEERN O=C(C#CBr)NCc1ccc(Br)s1 ZINC000306789774 356405261 /nfs/dbraw/zinc/40/52/61/356405261.db2.gz XZTANSIHAQMSSO-UHFFFAOYSA-N 0 0 323.009 2.483 10 30 DEEERN O=C(C#CBr)Nc1ccc(Br)nc1 ZINC000307178190 356407888 /nfs/dbraw/zinc/40/78/88/356407888.db2.gz YHVWVNQOMXQZIZ-UHFFFAOYSA-N 0 0 303.941 2.138 10 30 DEEERN CC(=O)N(C[C@@H]1CCCN1C(=O)Nc1cncc(C)c1)C1CC1 ZINC000328623959 356463357 /nfs/dbraw/zinc/46/33/57/356463357.db2.gz CFAMHHYRLDQHJN-INIZCTEOSA-N 0 0 316.405 2.411 10 30 DEEERN O=C(NC[C@@H]1C[C@H](F)CN1Cc1cncnc1)c1ccsc1 ZINC000328635013 356465100 /nfs/dbraw/zinc/46/51/00/356465100.db2.gz NBKUOTXXTCMRHY-KBPBESRZSA-N 0 0 320.393 2.455 10 30 DEEERN CN1CCN(c2nccc(C#N)n2)C[C@@H]1c1ccccc1Cl ZINC000575603255 540250178 /nfs/dbraw/zinc/25/01/78/540250178.db2.gz SZKMULGJWFMHGG-OAHLLOKOSA-N 0 0 313.792 2.495 10 30 DEEERN CN1CCN(c2nccc(C#N)n2)C[C@H]1c1ccccc1Cl ZINC000575603250 540250269 /nfs/dbraw/zinc/25/02/69/540250269.db2.gz SZKMULGJWFMHGG-HNNXBMFYSA-N 0 0 313.792 2.495 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000081548906 192289663 /nfs/dbraw/zinc/28/96/63/192289663.db2.gz HZRUJVUPFJVMJI-OAHLLOKOSA-N 0 0 301.390 2.461 10 30 DEEERN C=CCNS(=O)(=O)c1cccc(-c2nc(C3(C)CC3)no2)c1 ZINC000351177129 356626941 /nfs/dbraw/zinc/62/69/41/356626941.db2.gz RNZGZDFKSRAJMX-UHFFFAOYSA-N 0 0 319.386 2.252 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N[C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000578328557 356799703 /nfs/dbraw/zinc/79/97/03/356799703.db2.gz DPIGZVVHQOEZRW-HOCLYGCPSA-N 0 0 305.422 2.342 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000579252122 356947434 /nfs/dbraw/zinc/94/74/34/356947434.db2.gz UKRICMDMRDSNIV-AWEZNQCLSA-N 0 0 318.421 2.326 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)CC(=O)Nc1cccc(F)c1 ZINC000579941769 357054879 /nfs/dbraw/zinc/05/48/79/357054879.db2.gz MIMNGSNKFLRGCT-GDBMZVCRSA-N 0 0 320.364 2.204 10 30 DEEERN N#Cc1cccc(CCNC(=O)NCCOCC2CCC2)c1 ZINC000581912405 357265968 /nfs/dbraw/zinc/26/59/68/357265968.db2.gz KVGRMHIBEYZACN-UHFFFAOYSA-N 0 0 301.390 2.217 10 30 DEEERN C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000585683690 357345531 /nfs/dbraw/zinc/34/55/31/357345531.db2.gz VIFRNVBYTFODCE-XHDPSFHLSA-N 0 0 317.364 2.008 10 30 DEEERN C[C@@H](CCC1CC1)NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586859112 357377730 /nfs/dbraw/zinc/37/77/30/357377730.db2.gz SKESMDYCXHCHSC-NSHDSACASA-N 0 0 317.364 2.008 10 30 DEEERN CC(=O)N1CC[C@@H](CNc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000589101942 357442937 /nfs/dbraw/zinc/44/29/37/357442937.db2.gz OVIYUOAAVUZOKS-JTQLQIEISA-N 0 0 312.295 2.252 10 30 DEEERN C=C[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)C(=O)OC ZINC000589284707 357461188 /nfs/dbraw/zinc/46/11/88/357461188.db2.gz YCXQAFBARMHJAU-RRFJBIMHSA-N 0 0 308.809 2.402 10 30 DEEERN C=CCC[C@@H](NCc1cn2cccc(F)c2n1)C(=O)OCC ZINC000590661523 357574936 /nfs/dbraw/zinc/57/49/36/357574936.db2.gz ITGBQZOAZFFCHQ-CQSZACIVSA-N 0 0 305.353 2.461 10 30 DEEERN C=CCSCCNC(=O)c1cc(N2CCCCC2)ncn1 ZINC000590444758 357547314 /nfs/dbraw/zinc/54/73/14/357547314.db2.gz GXVBBOXMHYKTEX-UHFFFAOYSA-N 0 0 306.435 2.116 10 30 DEEERN COc1cc(C#N)ccc1CN1C[C@H](OC)C[C@H]1c1ncc[nH]1 ZINC000591652612 357748123 /nfs/dbraw/zinc/74/81/23/357748123.db2.gz BOXDFYUCGNRUFK-CABCVRRESA-N 0 0 312.373 2.252 10 30 DEEERN C=CCn1c(S[C@H]2CCNC2=O)nnc1-c1ccccc1C ZINC000179008324 198967873 /nfs/dbraw/zinc/96/78/73/198967873.db2.gz WHDXDTFGLDPYSG-ZDUSSCGKSA-N 0 0 314.414 2.420 10 30 DEEERN C=CCC1(C(=O)NCC2(C(=O)OC)CCCC2)CCOCC1 ZINC000591770098 357758331 /nfs/dbraw/zinc/75/83/31/357758331.db2.gz FFWWPRJEWDVPGD-UHFFFAOYSA-N 0 0 309.406 2.209 10 30 DEEERN C=CCC1(C(=O)Nc2ncn(CC(=O)OC(C)(C)C)n2)CCC1 ZINC000592651807 357920177 /nfs/dbraw/zinc/92/01/77/357920177.db2.gz AQUDPIAIEFMSJI-UHFFFAOYSA-N 0 0 320.393 2.305 10 30 DEEERN C[C@@H](OCCCNC(=O)Cn1ccnc1C#N)c1ccccc1 ZINC000179869482 199089795 /nfs/dbraw/zinc/08/97/95/199089795.db2.gz GSBGTUMEQDTAGX-CQSZACIVSA-N 0 0 312.373 2.039 10 30 DEEERN CC(=O)N1c2ccccc2C[C@H]1C(=O)NCC1(C#N)CCCC1 ZINC000593778272 358141410 /nfs/dbraw/zinc/14/14/10/358141410.db2.gz MHSWXTUPPNYPBK-INIZCTEOSA-N 0 0 311.385 2.164 10 30 DEEERN CC(=O)N[C@@H](C(=O)N1Cc2ccc(C#N)cc2C1)C1CCCC1 ZINC000594137174 358212870 /nfs/dbraw/zinc/21/28/70/358212870.db2.gz MQIYPVCSUFYYHH-QGZVFWFLSA-N 0 0 311.385 2.095 10 30 DEEERN C=CCNC(=O)NC(=O)[C@@H](C)Nc1cc(C)c(C)cc1OC ZINC000594660030 358313129 /nfs/dbraw/zinc/31/31/29/358313129.db2.gz KGPFXJKMVWBNFQ-GFCCVEGCSA-N 0 0 305.378 2.124 10 30 DEEERN C=CCCn1cc(CSCc2nc(C3CC3)nn2C)nn1 ZINC000594560983 358294055 /nfs/dbraw/zinc/29/40/55/358294055.db2.gz MASJUWWQOVUAGA-UHFFFAOYSA-N 0 0 304.423 2.294 10 30 DEEERN C=CCOCCCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000595767328 358544472 /nfs/dbraw/zinc/54/44/72/358544472.db2.gz OPQPYYMNMHOPKD-UHFFFAOYSA-N 0 0 321.377 2.371 10 30 DEEERN C=CCCC1(CNC(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)CCCC1 ZINC000595700874 358527461 /nfs/dbraw/zinc/52/74/61/358527461.db2.gz OWUZNAGIZQFLIW-RXSFTSLZSA-N 0 0 310.463 2.428 10 30 DEEERN CC(=O)N(C)c1cccc(NC(=O)N2CC[C@@](C)(C#N)C2)c1 ZINC000596786803 358761819 /nfs/dbraw/zinc/76/18/19/358761819.db2.gz XVJNUFNIYWVCCD-INIZCTEOSA-N 0 0 300.362 2.437 10 30 DEEERN C=CCCC1(CNC(=O)C(=O)NCCCCC#N)CCCC1 ZINC000597255319 358870273 /nfs/dbraw/zinc/87/02/73/358870273.db2.gz HSPOJEBOSZDPEZ-UHFFFAOYSA-N 0 0 305.422 2.439 10 30 DEEERN C=CCCSCCNC(=O)CNC(=O)c1ccccc1C ZINC000597975136 359056254 /nfs/dbraw/zinc/05/62/54/359056254.db2.gz ZIBQCOCMBFDRSX-UHFFFAOYSA-N 0 0 306.431 2.150 10 30 DEEERN C#C[C@H](C)NC(=O)N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000186120386 199918163 /nfs/dbraw/zinc/91/81/63/199918163.db2.gz BRBSRTQGTFRWRI-XQQFMLRXSA-N 0 0 309.410 2.001 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(OCCCOC)c1 ZINC000186421178 199955602 /nfs/dbraw/zinc/95/56/02/199955602.db2.gz XPUFKGVHAMVBTA-AWEZNQCLSA-N 0 0 308.378 2.160 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000599359737 359475600 /nfs/dbraw/zinc/47/56/00/359475600.db2.gz DKXCADBVNVQXLH-UHFFFAOYSA-N 0 0 315.391 2.255 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)OC ZINC000599360665 359477246 /nfs/dbraw/zinc/47/72/46/359477246.db2.gz ONPVGALAIPRTRJ-OLZOCXBDSA-N 0 0 317.451 2.240 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000599375323 359482413 /nfs/dbraw/zinc/48/24/13/359482413.db2.gz SAIPQKKASIFFPP-GFCCVEGCSA-N 0 0 310.375 2.323 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000599995232 359631127 /nfs/dbraw/zinc/63/11/27/359631127.db2.gz PDTZXNCEDWPHEL-UHFFFAOYSA-N 0 0 303.337 2.354 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C)CCO ZINC000187860202 200168505 /nfs/dbraw/zinc/16/85/05/200168505.db2.gz ORVAVFIJZPMVMG-CYBMUJFWSA-N 0 0 318.417 2.364 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C(=O)OC)C1CCCCC1 ZINC000600412648 359737020 /nfs/dbraw/zinc/73/70/20/359737020.db2.gz UENCGRFPZXVQLN-KFWWJZLASA-N 0 0 309.406 2.063 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1COc2cc(F)ccc2C1 ZINC000627640769 366575741 /nfs/dbraw/zinc/57/57/41/366575741.db2.gz HUWOAOILHMDGKG-YUELXQCFSA-N 0 0 305.349 2.227 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc2c(c1)COC2 ZINC000627686756 366591329 /nfs/dbraw/zinc/59/13/29/366591329.db2.gz BVNIZHJSIKIBLR-UHFFFAOYSA-N 0 0 302.374 2.374 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cc(OC)ccc1F ZINC000627686891 366591374 /nfs/dbraw/zinc/59/13/74/366591374.db2.gz IOPHIPUVJFYEST-UHFFFAOYSA-N 0 0 308.353 2.491 10 30 DEEERN C=C(C)CN(CC)C(=O)c1cc(C(=O)OC(C)(C)C)nn1C ZINC000600995971 359887262 /nfs/dbraw/zinc/88/72/62/359887262.db2.gz ZORXIDKCAWOJEM-UHFFFAOYSA-N 0 0 307.394 2.414 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2F)C1 ZINC000627733635 366603520 /nfs/dbraw/zinc/60/35/20/366603520.db2.gz ZFZNWQKJZRAKCP-VIFPVBQESA-N 0 0 312.291 2.467 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccnn2CCCC)C1 ZINC000627733691 366603638 /nfs/dbraw/zinc/60/36/38/366603638.db2.gz ALXKSUAVSPVUDU-ZDUSSCGKSA-N 0 0 304.394 2.046 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2nc(C3CC3)cs2)C1 ZINC000627732810 366603699 /nfs/dbraw/zinc/60/36/99/366603699.db2.gz DDWOUPDGZCKYMF-SNVBAGLBSA-N 0 0 305.403 2.384 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-n3ccnc3)c2)C1 ZINC000627735449 366604486 /nfs/dbraw/zinc/60/44/86/366604486.db2.gz TZRCEDOTDMNXEI-CQSZACIVSA-N 0 0 324.384 2.235 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2c(F)cc(F)cc2F)C1 ZINC000627735471 366604909 /nfs/dbraw/zinc/60/49/09/366604909.db2.gz UFCZKECGDBZWEJ-VIFPVBQESA-N 0 0 312.291 2.467 10 30 DEEERN C=CCN(CCC#N)c1cc(CCC(=O)OCC)nc(C)n1 ZINC000601168212 359950370 /nfs/dbraw/zinc/95/03/70/359950370.db2.gz RTZLWPMRTFYXLG-UHFFFAOYSA-N 0 0 302.378 2.187 10 30 DEEERN C=CCC1(NS(=O)(=O)CC2(C(=O)OC)CC2)CCCCC1 ZINC000601432526 360039211 /nfs/dbraw/zinc/03/92/11/360039211.db2.gz YQPFZANTXQZTIF-UHFFFAOYSA-N 0 0 315.435 2.138 10 30 DEEERN C=C(C)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)OC ZINC000601501491 360055623 /nfs/dbraw/zinc/05/56/23/360055623.db2.gz AWKWEDJFIALKRY-GFCCVEGCSA-N 0 0 317.794 2.126 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCc1ccc(C#N)cc1)C(=O)OC ZINC000601778122 360143556 /nfs/dbraw/zinc/14/35/56/360143556.db2.gz LTTQFIMUXRFWKO-HNNXBMFYSA-N 0 0 300.358 2.115 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000601780601 360144614 /nfs/dbraw/zinc/14/46/14/360144614.db2.gz DNQURFPGNROCIG-CYBMUJFWSA-N 0 0 320.345 2.070 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cccc2oc(C)nc21)C(=O)OC ZINC000601781014 360145729 /nfs/dbraw/zinc/14/57/29/360145729.db2.gz FKDWAERBTYYCMP-GFCCVEGCSA-N 0 0 302.330 2.374 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc2c(c1)CCCC2=O)C(=O)OC ZINC000601781433 360145739 /nfs/dbraw/zinc/14/57/39/360145739.db2.gz IYPOXQKRBQIDEF-OAHLLOKOSA-N 0 0 315.369 2.443 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc2c(c1)CCCC2=O)C(=O)OC ZINC000601781431 360145901 /nfs/dbraw/zinc/14/59/01/360145901.db2.gz IYPOXQKRBQIDEF-HNNXBMFYSA-N 0 0 315.369 2.443 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](C)c1ccc2c(c1)OCO2)C(=O)OC ZINC000601783235 360146819 /nfs/dbraw/zinc/14/68/19/360146819.db2.gz VODTYLWGJRFYPJ-AAEUAGOBSA-N 0 0 319.357 2.143 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc2ccccc2n1C)C(=O)OC ZINC000601784830 360147896 /nfs/dbraw/zinc/14/78/96/360147896.db2.gz HRGUFAFZBCHWKA-CYBMUJFWSA-N 0 0 300.358 2.416 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cccc2c1O[C@H](C)C2)C(=O)OC ZINC000601785720 360148857 /nfs/dbraw/zinc/14/88/57/360148857.db2.gz UBLSMVFSLMDEDH-BXUZGUMPSA-N 0 0 303.358 2.248 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cccc(NC(C)=O)c1C)C(=O)OC ZINC000601786798 360149566 /nfs/dbraw/zinc/14/95/66/360149566.db2.gz IVSRKEVWNZDHQN-HNNXBMFYSA-N 0 0 318.373 2.191 10 30 DEEERN C=C(C)C[C@H](NC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1)C(=O)OC ZINC000601786211 360149667 /nfs/dbraw/zinc/14/96/67/360149667.db2.gz GHVMBDOZWNSFRF-QLFBSQMISA-N 0 0 311.422 2.452 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1CCc2cc(F)ccc21)C(=O)OC ZINC000601786280 360149669 /nfs/dbraw/zinc/14/96/69/360149669.db2.gz XSABTWLLIOJRKS-CABCVRRESA-N 0 0 305.349 2.480 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cnn(CC(C)C)c1C)C(=O)OC ZINC000601787992 360150533 /nfs/dbraw/zinc/15/05/33/360150533.db2.gz NTWORSUCOXYZQQ-CQSZACIVSA-N 0 0 307.394 2.085 10 30 DEEERN C=CCC1(C(=O)N2C[C@H](C)[C@@](C)(C(=O)OC)C2)CCOCC1 ZINC000601708364 360120848 /nfs/dbraw/zinc/12/08/48/360120848.db2.gz MJJFJNVFWFTTES-BBRMVZONSA-N 0 0 309.406 2.017 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000602375542 360352093 /nfs/dbraw/zinc/35/20/93/360352093.db2.gz CASCIPNGKLUQKT-LLVKDONJSA-N 0 0 318.329 2.404 10 30 DEEERN C=C(C)C[C@H](NCc1ccc(OC)c(OC)c1OC)C(=O)OC ZINC000602730679 360523125 /nfs/dbraw/zinc/52/31/25/360523125.db2.gz DSDKSOUHIINYPG-ZDUSSCGKSA-N 0 0 323.389 2.310 10 30 DEEERN C=C(C)C[C@@H](NCc1cc2c(c(OC)c1)OCO2)C(=O)OC ZINC000602732541 360524387 /nfs/dbraw/zinc/52/43/87/360524387.db2.gz RPPNOYRZIHLNTF-GFCCVEGCSA-N 0 0 307.346 2.021 10 30 DEEERN C=C(C)C[C@H](NCc1ccc2c(c1)sc(=O)n2C)C(=O)OC ZINC000602734661 360525998 /nfs/dbraw/zinc/52/59/98/360525998.db2.gz QRWMSJRNDNAYDB-LBPRGKRZSA-N 0 0 320.414 2.197 10 30 DEEERN C=CCOc1ccc(CN2CCN(CCC#N)CC2)cc1OC ZINC000602750493 360536042 /nfs/dbraw/zinc/53/60/42/360536042.db2.gz ISFSJUXCZLZEED-UHFFFAOYSA-N 0 0 315.417 2.291 10 30 DEEERN N#Cc1cccc(-n2ccc(C(=O)N3CCCSCC3)n2)c1 ZINC000281346861 216237064 /nfs/dbraw/zinc/23/70/64/216237064.db2.gz VCSIDPOLINKKLY-UHFFFAOYSA-N 0 0 312.398 2.323 10 30 DEEERN N#Cc1ccc(CNC(=O)Cc2ccc3c(c2)CCO3)c(F)c1 ZINC000609229203 361290797 /nfs/dbraw/zinc/29/07/97/361290797.db2.gz VLTQFZVCRFSHMY-UHFFFAOYSA-N 0 0 310.328 2.491 10 30 DEEERN COc1ccc(NC(=O)NCc2ccc(C#N)cc2F)cn1 ZINC000609239887 361291667 /nfs/dbraw/zinc/29/16/67/361291667.db2.gz IFBFEKREDGAPCL-UHFFFAOYSA-N 0 0 300.293 2.423 10 30 DEEERN CC(C)c1n[nH]cc1C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000193504308 201064944 /nfs/dbraw/zinc/06/49/44/201064944.db2.gz DQEBJCMYQJVRDQ-UHFFFAOYSA-N 0 0 323.400 2.367 10 30 DEEERN N#Cc1cc(C(=O)OCc2ccc(N3CCOCC3)cc2)ccn1 ZINC000193754262 201118496 /nfs/dbraw/zinc/11/84/96/201118496.db2.gz DPVPHTZUFCHEQF-UHFFFAOYSA-N 0 0 323.352 2.147 10 30 DEEERN C[C@H](CNS(=O)(=O)c1cccc(C#N)c1)c1ccncc1 ZINC000610518492 361415093 /nfs/dbraw/zinc/41/50/93/361415093.db2.gz UTVSCUDKIYCDGL-GFCCVEGCSA-N 0 0 301.371 2.035 10 30 DEEERN C=CC(C)(C)CCNC(=O)Cn1c2ccccc2n(C)c1=O ZINC000628317960 366808168 /nfs/dbraw/zinc/80/81/68/366808168.db2.gz IOLHBDXHXZQXFJ-UHFFFAOYSA-N 0 0 301.390 2.059 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000628317215 366808242 /nfs/dbraw/zinc/80/82/42/366808242.db2.gz AFXDNVCNTRLYLE-ZDUSSCGKSA-N 0 0 304.390 2.347 10 30 DEEERN C=CCOCCCC(=O)NC[C@@H](n1cccn1)C(F)(F)F ZINC000628332386 366815064 /nfs/dbraw/zinc/81/50/64/366815064.db2.gz RMNJKRBHNATPCF-LLVKDONJSA-N 0 0 305.300 2.086 10 30 DEEERN COC(=O)CC1(NC(=O)Cc2ccc(C#N)cc2)CCCC1 ZINC000193911577 201143547 /nfs/dbraw/zinc/14/35/47/201143547.db2.gz AMUWHAAYBJLLKO-UHFFFAOYSA-N 0 0 300.358 2.093 10 30 DEEERN CC1(C#N)CCN(C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 ZINC000611556132 361629903 /nfs/dbraw/zinc/62/99/03/361629903.db2.gz LFKZALWJOXUSOZ-UHFFFAOYSA-N 0 0 304.325 2.082 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCCC1(O)CCC1 ZINC000611992360 361720742 /nfs/dbraw/zinc/72/07/42/361720742.db2.gz UNTDMQSIXIGOHV-LSDHHAIUSA-N 0 0 322.449 2.049 10 30 DEEERN N#Cc1ccc(CN[C@H](Cc2ccc(F)cc2)C(N)=O)c(F)c1 ZINC000612048301 361730988 /nfs/dbraw/zinc/73/09/88/361730988.db2.gz DVHGTCGGVXTWAA-MRXNPFEDSA-N 0 0 315.323 2.023 10 30 DEEERN C=C[C@@H](C(=O)OC)n1nnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000619686389 363854186 /nfs/dbraw/zinc/85/41/86/363854186.db2.gz FRKLIOXNTNOHAJ-JTQLQIEISA-N 0 0 312.251 2.259 10 30 DEEERN C=C[C@@H](C(=O)OC)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000619716192 363863507 /nfs/dbraw/zinc/86/35/07/363863507.db2.gz ZEQUMSYKWAJCNH-LBPRGKRZSA-N 0 0 314.838 2.247 10 30 DEEERN C=CCOCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC000619637811 363844845 /nfs/dbraw/zinc/84/48/45/363844845.db2.gz OONYFZSVBNTBFE-UHFFFAOYSA-N 0 0 309.322 2.318 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@]3(C)CC3(C)C)cc2C1=O ZINC000620084053 363951934 /nfs/dbraw/zinc/95/19/34/363951934.db2.gz RZGYZBJYTDPDOW-GOSISDBHSA-N 0 0 312.369 2.387 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000620313865 364013806 /nfs/dbraw/zinc/01/38/06/364013806.db2.gz GVBWEUORRYKDAN-TXEJJXNPSA-N 0 0 313.357 2.158 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)OCC ZINC000620399187 364035379 /nfs/dbraw/zinc/03/53/79/364035379.db2.gz HRNSKAKOBRDNFJ-CABCVRRESA-N 0 0 310.438 2.121 10 30 DEEERN C=C(CNC(=O)[C@@H]1C[C@@H]1C(C)C)CNC(=O)[C@H]1C[C@@H]1C(C)C ZINC000620749889 364140925 /nfs/dbraw/zinc/14/09/25/364140925.db2.gz QWTWNDWJHAUOQA-FPCVCCKLSA-N 0 0 306.450 2.359 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000621192611 364299111 /nfs/dbraw/zinc/29/91/11/364299111.db2.gz GMWVOENMUUFXKJ-OAHLLOKOSA-N 0 0 312.316 2.143 10 30 DEEERN C=C[C@@](C)(O)C(=O)Nc1nc(CN2CCCCCC2)cs1 ZINC000621393064 364388697 /nfs/dbraw/zinc/38/86/97/364388697.db2.gz BCTZBKXDWZGQFZ-OAHLLOKOSA-N 0 0 309.435 2.395 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N(C)Cc1c(C)cc(C)nc1OC ZINC000621459390 364409689 /nfs/dbraw/zinc/40/96/89/364409689.db2.gz CWPMKHIKAPWAKU-CABCVRRESA-N 0 0 319.405 2.192 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CNC(=O)c2ccc(OCC)cc2)C1 ZINC000628481986 366862913 /nfs/dbraw/zinc/86/29/13/366862913.db2.gz AUZZJWFNOXHSGC-AWEZNQCLSA-N 0 0 316.401 2.240 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CCc2nc(-c3ccccn3)no2)C1 ZINC000628484994 366863656 /nfs/dbraw/zinc/86/36/56/366863656.db2.gz ACAZXUDQLDSHHH-CYBMUJFWSA-N 0 0 312.373 2.489 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Cn2cc(C(N)=O)c3ccccc32)C1 ZINC000628486848 366864242 /nfs/dbraw/zinc/86/42/42/366864242.db2.gz RJIIVSUYNGIVRR-ZDUSSCGKSA-N 0 0 311.385 2.165 10 30 DEEERN C=CC[C@H]1CCN(C(=O)[C@@H](CS(C)(=O)=O)c2ccccc2)C1 ZINC000628491742 366866570 /nfs/dbraw/zinc/86/65/70/366866570.db2.gz GSLVPQPAXBMIRD-HOCLYGCPSA-N 0 0 321.442 2.239 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCc2c1c(F)ccc2F ZINC000622877440 364818774 /nfs/dbraw/zinc/81/87/74/364818774.db2.gz NITOVUXTHVTGJX-CQSZACIVSA-N 0 0 308.328 2.325 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2cccnc2OCCOC)C1 ZINC000623467334 365040446 /nfs/dbraw/zinc/04/04/46/365040446.db2.gz FDNNGWOJMQEJQF-CQSZACIVSA-N 0 0 319.405 2.214 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCCc2cn3c(n2)CCCC3)C1 ZINC000623411104 365020304 /nfs/dbraw/zinc/02/03/04/365020304.db2.gz SWBBCIIYEOVLBC-AWEZNQCLSA-N 0 0 302.422 2.370 10 30 DEEERN C=CCCOCCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000623809370 365181363 /nfs/dbraw/zinc/18/13/63/365181363.db2.gz AHEAEQVRUAXJFF-INIZCTEOSA-N 0 0 309.454 2.285 10 30 DEEERN CSC1(C#N)CCN(S(=O)(=O)C2CCCCC2)CC1 ZINC000091473986 193061280 /nfs/dbraw/zinc/06/12/80/193061280.db2.gz XXPAPTWNCDHLCB-UHFFFAOYSA-N 0 0 302.465 2.370 10 30 DEEERN Cc1nc(NC(=O)C2(C#N)CCOCC2)ccc1Br ZINC000091507411 193066680 /nfs/dbraw/zinc/06/66/80/193066680.db2.gz RPQKMXSQGNKCFZ-UHFFFAOYSA-N 0 0 324.178 2.411 10 30 DEEERN N#C[C@@H]1CNCCN1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000091748322 193101044 /nfs/dbraw/zinc/10/10/44/193101044.db2.gz CDUDBKWISSIHNA-CQSZACIVSA-N 0 0 302.765 2.292 10 30 DEEERN COc1ccc(Br)cc1[C@H](O)[C@@]1(C#N)CCOC1 ZINC000091879592 193121807 /nfs/dbraw/zinc/12/18/07/193121807.db2.gz DSXPCPVMTOYJRA-QWHCGFSZSA-N 0 0 312.163 2.421 10 30 DEEERN Cc1noc(C)c1CN1CCN(Cc2ccc(C#N)o2)CC1 ZINC000091890532 193121984 /nfs/dbraw/zinc/12/19/84/193121984.db2.gz UQQRAWONIKDZGW-UHFFFAOYSA-N 0 0 300.362 2.074 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000624462723 365429969 /nfs/dbraw/zinc/42/99/69/365429969.db2.gz ASGIFIGOUWFEGB-UHFFFAOYSA-N 0 0 321.343 2.005 10 30 DEEERN CC#CCCCC(=O)NCC1(OCCO)CCC(F)(F)CC1 ZINC000628661336 366919425 /nfs/dbraw/zinc/91/94/25/366919425.db2.gz GKOXBWNBYGYBKY-UHFFFAOYSA-N 0 0 317.376 2.253 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCN2c3ccccc3C[C@H]2C)C1=O ZINC000630969472 367942894 /nfs/dbraw/zinc/94/28/94/367942894.db2.gz ILMSYBZADJUMHY-UKRRQHHQSA-N 0 0 313.401 2.324 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CC[C@H]2COc3ccccc3O2)C1=O ZINC000630972579 367943973 /nfs/dbraw/zinc/94/39/73/367943973.db2.gz IFVAYFPERSCKOC-QWHCGFSZSA-N 0 0 316.357 2.103 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H](C)N(C)c2ccccc2)C1=O ZINC000630972727 367944192 /nfs/dbraw/zinc/94/41/92/367944192.db2.gz ZPFJXSQNPNZBJY-HIFRSBDPSA-N 0 0 301.390 2.398 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccc(OC)c(OCC)c2)C1=O ZINC000630974456 367944956 /nfs/dbraw/zinc/94/49/56/367944956.db2.gz RCWQNOZHXDCKRU-ZDUSSCGKSA-N 0 0 318.373 2.481 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H](C)Oc2ccc(F)cc2)C1=O ZINC000630973865 367945395 /nfs/dbraw/zinc/94/53/95/367945395.db2.gz GBYIAICWQHYAGY-RISCZKNCSA-N 0 0 306.337 2.480 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H](COC)c2ccc(CC)o2)C1=O ZINC000630975989 367946504 /nfs/dbraw/zinc/94/65/04/367946504.db2.gz LRVPMDRNMWUOCR-OLZOCXBDSA-N 0 0 306.362 2.416 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H](CCO)c2ccccc2)C1=O ZINC000630982405 367949362 /nfs/dbraw/zinc/94/93/62/367949362.db2.gz OLQJSNANEWEZAA-GJZGRUSLSA-N 0 0 302.374 2.039 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2C[C@H]2c2ccccc2OC)C1=O ZINC000630986860 367951949 /nfs/dbraw/zinc/95/19/49/367951949.db2.gz LWBJSZIMIUILFZ-BFHYXJOUSA-N 0 0 300.358 2.438 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H](CC)COCC(F)(F)F)C1=O ZINC000630986010 367952239 /nfs/dbraw/zinc/95/22/39/367952239.db2.gz XOZDHYRZPWRWSO-UWVGGRQHSA-N 0 0 308.300 2.231 10 30 DEEERN C=C1CC(C)(C(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)C1 ZINC000631996700 368486333 /nfs/dbraw/zinc/48/63/33/368486333.db2.gz JHOHRXIKYHSUSI-AWEZNQCLSA-N 0 0 301.390 2.340 10 30 DEEERN C=CCOc1ccc(CNC(=O)C[C@@H]2CCOC[C@@H]2OC)cc1 ZINC000451671537 243290943 /nfs/dbraw/zinc/29/09/43/243290943.db2.gz ZJQZCMIBDPWTBG-RDJZCZTQSA-N 0 0 319.401 2.309 10 30 DEEERN CCCc1cc(=O)[nH]c(S[C@H]2CCC[C@@](C#N)(NC)C2)n1 ZINC000093746883 193300492 /nfs/dbraw/zinc/30/04/92/193300492.db2.gz QIXFSORNRQHLRZ-SWLSCSKDSA-N 0 0 306.435 2.239 10 30 DEEERN CCCN[C@@]1(C#N)CC[C@@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093806732 193309184 /nfs/dbraw/zinc/30/91/84/193309184.db2.gz OCHXOZMXVNCLIT-YGRLFVJLSA-N 0 0 302.407 2.259 10 30 DEEERN Cc1nc(CNC(=O)c2csc(C#CCCO)c2)cs1 ZINC000093974491 193333025 /nfs/dbraw/zinc/33/30/25/193333025.db2.gz QPNJEVGWPJXFGT-UHFFFAOYSA-N 0 0 306.412 2.177 10 30 DEEERN CC1(C)CC[C@](C#N)([C@@H]2CS(=O)(=O)c3ccccc32)C1=O ZINC000094314584 193358981 /nfs/dbraw/zinc/35/89/81/193358981.db2.gz UUTVXSYFTRPNOJ-WBMJQRKESA-N 0 0 303.383 2.457 10 30 DEEERN C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C#CCCO)ccc1Cl ZINC000094179973 193346991 /nfs/dbraw/zinc/34/69/91/193346991.db2.gz SLKNXYUMHBHONV-AAEUAGOBSA-N 0 0 307.777 2.437 10 30 DEEERN CSC1(C#N)CCN([C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094636524 193387251 /nfs/dbraw/zinc/38/72/51/193387251.db2.gz GNGDOUHTVSQNMA-STQMWFEESA-N 0 0 316.492 2.063 10 30 DEEERN COC[C@H](NC(=O)c1cc(C)c(C#CCCO)s1)C(C)C ZINC000094535769 193377785 /nfs/dbraw/zinc/37/77/85/193377785.db2.gz PCINAUMGGABHIM-ZDUSSCGKSA-N 0 0 309.431 2.191 10 30 DEEERN Cc1cc(C)cc(C[S@@](=O)CCC(=O)N(C)CCC#N)c1 ZINC000094721176 193394078 /nfs/dbraw/zinc/39/40/78/193394078.db2.gz URBUQSNENZMTPJ-OAQYLSRUSA-N 0 0 306.431 2.314 10 30 DEEERN C=C1C(=O)O[C@@H]2C[C@H](C)C([C@H](CC(C)=O)OC(C)=O)=CC[C@H]12 ZINC000096328713 193613463 /nfs/dbraw/zinc/61/34/63/193613463.db2.gz DPSCQKGSAHTWSP-VBIBSDQJSA-N 0 0 306.358 2.351 10 30 biogenic DEEERN C=CCNC(=O)N1CCC(Oc2nncc3ccccc32)CC1 ZINC000096356172 193615402 /nfs/dbraw/zinc/61/54/02/193615402.db2.gz LPMTUOAVUASBHL-UHFFFAOYSA-N 0 0 312.373 2.369 10 30 DEEERN C=CCN(CC=C)c1nnc(-c2nnn(C)c2C)n1CC(=C)C ZINC000453456040 245147666 /nfs/dbraw/zinc/14/76/66/245147666.db2.gz FZUXYROYYIXOIW-UHFFFAOYSA-N 0 0 313.409 2.137 10 30 DEEERN C=CCN(C(=O)C(=O)Nc1ccc(CC)c(OC)c1)C1CC1 ZINC000453752564 245273143 /nfs/dbraw/zinc/27/31/43/245273143.db2.gz KKNJWCGMHVRAFP-UHFFFAOYSA-N 0 0 302.374 2.373 10 30 DEEERN C#CCSCCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271699569 209136803 /nfs/dbraw/zinc/13/68/03/209136803.db2.gz NITPLRMUXBUKGO-LLVKDONJSA-N 0 0 307.375 2.321 10 30 DEEERN C=C(C)CCNC(=O)NCc1c(OC)cc(OC)cc1OC ZINC000454304051 245623134 /nfs/dbraw/zinc/62/31/34/245623134.db2.gz YSBXBVGVDZLTPH-UHFFFAOYSA-N 0 0 308.378 2.478 10 30 DEEERN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(O)c(O)c2)cc1C ZINC000020394981 182214310 /nfs/dbraw/zinc/21/43/10/182214310.db2.gz ONQNWSWCUXICTG-CXUHLZMHSA-N 0 0 320.370 2.027 10 30 DEEERN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)C(C)C)cc1C#N ZINC000159996827 197378769 /nfs/dbraw/zinc/37/87/69/197378769.db2.gz BZRXHYNBXGOOLW-LBPRGKRZSA-N 0 0 317.389 2.445 10 30 DEEERN Clc1cccc(C#CCN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000159986693 197378149 /nfs/dbraw/zinc/37/81/49/197378149.db2.gz VSOKCXFXOHFRBO-QGZVFWFLSA-N 0 0 315.804 2.289 10 30 DEEERN C=C(C)CCNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000454939449 246272206 /nfs/dbraw/zinc/27/22/06/246272206.db2.gz UMXANCBQGLTGJG-ZBFHGGJFSA-N 0 0 315.417 2.441 10 30 DEEERN CCCCCCCCCC(=O)[C@H](C(=O)[O-])[C@@H](O)C[N+](C)(C)C ZINC000100101247 193794655 /nfs/dbraw/zinc/79/46/55/193794655.db2.gz QDFUGZFFTZZWFP-HOTGVXAUSA-O 0 0 316.462 2.464 10 30 DEEERN C=CCC[C@@H](NC(=O)C(=O)c1ccc(F)cc1)C(=O)OCC ZINC000456604962 247305391 /nfs/dbraw/zinc/30/53/91/247305391.db2.gz KGKVMMKDMBMTJI-CYBMUJFWSA-N 0 0 307.321 2.023 10 30 DEEERN CCCn1cc(Br)cc1C(=O)N(CC#N)CC#N ZINC000036859718 182849313 /nfs/dbraw/zinc/84/93/13/182849313.db2.gz JELFTMLOJNPAOT-UHFFFAOYSA-N 0 0 309.167 2.150 10 30 DEEERN COc1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1SC ZINC000457895686 248063240 /nfs/dbraw/zinc/06/32/40/248063240.db2.gz BRPQWJDLLNMGSU-VIFPVBQESA-N 0 0 317.374 2.080 10 30 DEEERN COC1CCC(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000458061259 248132965 /nfs/dbraw/zinc/13/29/65/248132965.db2.gz KJACIEBTLSGREV-FVKWTLKZSA-N 0 0 324.421 2.322 10 30 DEEERN C=CCC[C@H](CO)NC(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000458510211 248350610 /nfs/dbraw/zinc/35/06/10/248350610.db2.gz IGNJLEOBEZULPR-CYBMUJFWSA-N 0 0 315.373 2.067 10 30 DEEERN C=C(C)CN(CC)C(=O)NCCCc1nnc2ccccn21 ZINC000489528028 248842760 /nfs/dbraw/zinc/84/27/60/248842760.db2.gz YOCKTEONWULSAL-UHFFFAOYSA-N 0 0 301.394 2.270 10 30 DEEERN Cc1ccc(Oc2ncnc(N(CC#N)CC#N)c2[N+](=O)[O-])cc1 ZINC000040617998 183110165 /nfs/dbraw/zinc/11/01/65/183110165.db2.gz OAPNZOJSMHMXNW-UHFFFAOYSA-N 0 0 324.300 2.339 10 30 DEEERN N#CCN(CC#N)c1ncnc(Nc2cccc(Cl)c2)c1N ZINC000040736637 183127112 /nfs/dbraw/zinc/12/71/12/183127112.db2.gz SEWUGVMWKGTHHL-UHFFFAOYSA-N 0 0 313.752 2.309 10 30 DEEERN C[C@@H](CN(C)Cc1cc(F)ccc1Br)/C(N)=N/O ZINC000042458053 183272661 /nfs/dbraw/zinc/27/26/61/183272661.db2.gz DWZLWKLNPRSBTN-QMMMGPOBSA-N 0 0 318.190 2.403 10 30 DEEERN CC(C)CN(C(C)C)S(=O)(=O)c1ccccc1C#CCO ZINC000042598192 183289681 /nfs/dbraw/zinc/28/96/81/183289681.db2.gz WNUPRWGSKDHWOA-UHFFFAOYSA-N 0 0 309.431 2.086 10 30 DEEERN CC(C)C[C@H](C)N(C)S(=O)(=O)c1cccc(C#CCO)c1 ZINC000042598168 183289714 /nfs/dbraw/zinc/28/97/14/183289714.db2.gz XDZLFJCFPIZTGA-AWEZNQCLSA-N 0 0 309.431 2.086 10 30 DEEERN CS(=O)(=O)c1ccc(OCc2sccc2C#CCO)cc1 ZINC000043682989 183379846 /nfs/dbraw/zinc/37/98/46/183379846.db2.gz SLGMKOUBXCQQJG-UHFFFAOYSA-N 0 0 322.407 2.074 10 30 DEEERN CCOc1ccnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000106153329 194187708 /nfs/dbraw/zinc/18/77/08/194187708.db2.gz VHNJKGHGDSLYLW-UHFFFAOYSA-N 0 0 323.400 2.069 10 30 DEEERN COc1ccc(-n2ccc(CNc3cnc(C#N)cn3)n2)cc1 ZINC000106465017 194218410 /nfs/dbraw/zinc/21/84/10/194218410.db2.gz ATFWVKXBXOLICR-UHFFFAOYSA-N 0 0 306.329 2.155 10 30 DEEERN N#Cc1ccc(NC(=O)c2nn3c(nnc3C3CC3)s2)cc1 ZINC000049661885 183752709 /nfs/dbraw/zinc/75/27/09/183752709.db2.gz RVOBISVFKFKEQH-UHFFFAOYSA-N 0 0 310.342 2.187 10 30 DEEERN CNc1ncc(Br)cc1C(=O)N(C)C[C@@H](C)C#N ZINC000050775804 183802986 /nfs/dbraw/zinc/80/29/86/183802986.db2.gz HJOAAMZHDBNWEE-QMMMGPOBSA-N 0 0 311.183 2.117 10 30 DEEERN O=C(Cc1cccc(Cl)c1)Nc1cccc(C#CCO)n1 ZINC000052945392 183881222 /nfs/dbraw/zinc/88/12/22/183881222.db2.gz UPAUKQRYNSSXQG-UHFFFAOYSA-N 0 0 300.745 2.260 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110883927 194366687 /nfs/dbraw/zinc/36/66/87/194366687.db2.gz HPJYDXFUQCOGCR-JTQLQIEISA-N 0 0 305.384 2.290 10 30 DEEERN N#Cc1cccc(CC(=O)N2CCC(O)(C(F)(F)F)CC2)c1 ZINC000534918036 284860617 /nfs/dbraw/zinc/86/06/17/284860617.db2.gz UAUBJXJTAYWXID-UHFFFAOYSA-N 0 0 312.291 2.017 10 30 DEEERN C[C@H](NC(=O)N1CCC(C#N)CC1)c1ccc2c(c1)OCO2 ZINC000057990485 184065678 /nfs/dbraw/zinc/06/56/78/184065678.db2.gz WTGVZZNLLAXKEI-NSHDSACASA-N 0 0 301.346 2.421 10 30 DEEERN COc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1C#N ZINC000058494913 184120533 /nfs/dbraw/zinc/12/05/33/184120533.db2.gz NFQYJTDXORKUGG-UHFFFAOYSA-N 0 0 314.366 2.318 10 30 DEEERN N#CCCCCS(=O)(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114741982 194688466 /nfs/dbraw/zinc/68/84/66/194688466.db2.gz PEFMYZZEJQLEDE-GFCCVEGCSA-N 0 0 313.448 2.346 10 30 DEEERN C#CC[C@@H](NC(=O)[C@@H]1CSCN1C(=O)CC)c1ccccc1 ZINC000270180585 208242859 /nfs/dbraw/zinc/24/28/59/208242859.db2.gz BOEYTLPYVVSADP-CABCVRRESA-N 0 0 316.426 2.179 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCN(c2ccccn2)CC1 ZINC000158990195 197316592 /nfs/dbraw/zinc/31/65/92/197316592.db2.gz GEDSZFHVAXZHNX-UHFFFAOYSA-N 0 0 306.369 2.224 10 30 DEEERN C=CCNC(=O)N1C[C@@H](c2ccccc2)C[C@H](C(=O)OC)C1 ZINC000158873029 197307066 /nfs/dbraw/zinc/30/70/66/197307066.db2.gz LPIWOQRYBQGMOB-GJZGRUSLSA-N 0 0 302.374 2.161 10 30 DEEERN C#CC[C@H](C)Nc1cnn(CC2CC2)c(=O)c1Br ZINC000158638789 197291128 /nfs/dbraw/zinc/29/11/28/197291128.db2.gz CXTYDCMKFPEAFG-VIFPVBQESA-N 0 0 310.195 2.240 10 30 DEEERN C=CCn1ncc(NCC(C)(C)OC)c(Br)c1=O ZINC000158513212 197280870 /nfs/dbraw/zinc/28/08/70/197280870.db2.gz ZRDIXKQQBYFVTC-UHFFFAOYSA-N 0 0 316.199 2.029 10 30 DEEERN CS[C@H](C)CCNS(=O)(=O)c1cccc(F)c1C#N ZINC000158548900 197282413 /nfs/dbraw/zinc/28/24/13/197282413.db2.gz CZXAQEWPPJZSGM-SECBINFHSA-N 0 0 302.396 2.117 10 30 DEEERN CC[C@H]1CN(C(=O)c2cc(C#CCO)ccc2C)CCS1 ZINC000157975866 197231845 /nfs/dbraw/zinc/23/18/45/197231845.db2.gz XQYSJEUAHHADAH-HNNXBMFYSA-N 0 0 303.427 2.306 10 30 DEEERN CCCC(=O)N[C@@H]1CCCN(C(=O)c2sccc2C#N)C1 ZINC000157040042 197157408 /nfs/dbraw/zinc/15/74/08/197157408.db2.gz RDEZTRONEZEMMW-GFCCVEGCSA-N 0 0 305.403 2.141 10 30 DEEERN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@H]1CCCO1 ZINC000156392659 197109762 /nfs/dbraw/zinc/10/97/62/197109762.db2.gz SUECFGAWJSSPOK-JOYOIKCWSA-N 0 0 314.794 2.057 10 30 DEEERN N#Cc1ncn(-c2cc(Br)ccc2[N+](=O)[O-])c1C#N ZINC000156297110 197102591 /nfs/dbraw/zinc/10/25/91/197102591.db2.gz KDPVZOOGLRRHDN-UHFFFAOYSA-N 0 0 318.090 2.286 10 30 DEEERN C[C@@H](CNc1ccc(C#N)cc1Br)[S@@](C)=O ZINC000120431122 195165930 /nfs/dbraw/zinc/16/59/30/195165930.db2.gz RWLQDWXMGQKROJ-PWJLMRLQSA-N 0 0 301.209 2.500 10 30 DEEERN C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C(N)=O ZINC000189472756 533216047 /nfs/dbraw/zinc/21/60/47/533216047.db2.gz RYORAAKIKNLFLV-LLVKDONJSA-N 0 0 324.340 2.346 10 30 DEEERN N#Cc1cccc(CC(=O)N2CC(=O)Nc3c(F)cccc32)c1 ZINC000544037307 285329020 /nfs/dbraw/zinc/32/90/20/285329020.db2.gz DCQNOXYJNNQZHL-UHFFFAOYSA-N 0 0 309.300 2.225 10 30 DEEERN C[C@@H]1CCCN(S(=O)(=O)Nc2cc(N(C)C)ccc2C#N)C1 ZINC000121782023 195345506 /nfs/dbraw/zinc/34/55/06/195345506.db2.gz VZXDRCCITUVLRX-GFCCVEGCSA-N 0 0 322.434 2.013 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCOC2(CCC2)C1 ZINC000128335219 195956611 /nfs/dbraw/zinc/95/66/11/195956611.db2.gz ZROQOMIJEHKJKU-CYBMUJFWSA-N 0 0 300.358 2.107 10 30 DEEERN N#Cc1ccccc1OCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128057086 195932466 /nfs/dbraw/zinc/93/24/66/195932466.db2.gz XCEHYEXMYOZUFQ-QAPCUYQASA-N 0 0 314.385 2.091 10 30 DEEERN COC(=O)C1(c2ccccc2)CCN(c2ccc(C#N)nn2)CC1 ZINC000301955497 533259193 /nfs/dbraw/zinc/25/91/93/533259193.db2.gz KRAXDKYNVYCASC-UHFFFAOYSA-N 0 0 322.368 2.059 10 30 DEEERN COC(=O)CC1(NC(=O)c2cccc(CC#N)c2)CCCC1 ZINC000193903490 533317170 /nfs/dbraw/zinc/31/71/70/533317170.db2.gz PEYJDTZVQVIQID-UHFFFAOYSA-N 0 0 300.358 2.358 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N(CC)CC(C)C ZINC000453454082 533537058 /nfs/dbraw/zinc/53/70/58/533537058.db2.gz BLLCVFVXHRNSGT-UHFFFAOYSA-N 0 0 317.441 2.440 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCC(OC2CCCC2)CC1 ZINC000176985201 132524055 /nfs/dbraw/zinc/52/40/55/132524055.db2.gz NDMDAOILXMBFDR-UHFFFAOYSA-N 0 0 301.390 2.461 10 30 DEEERN COC(=O)c1cc(C(C)(C)NC(=O)c2sccc2C#N)no1 ZINC000362313109 133223320 /nfs/dbraw/zinc/22/33/20/133223320.db2.gz KGRMKMVJXSMAHY-UHFFFAOYSA-N 0 0 319.342 2.059 10 30 DEEERN Cc1ccc(C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)cc1C#N ZINC000373007421 133373970 /nfs/dbraw/zinc/37/39/70/133373970.db2.gz URYJXJIQXBHKNE-SFHVURJKSA-N 0 0 314.385 2.277 10 30 DEEERN N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](O)c2ccccc21 ZINC000062552805 134809458 /nfs/dbraw/zinc/80/94/58/134809458.db2.gz ZFTMEWHFRLLHMQ-OAHLLOKOSA-N 0 0 314.366 2.191 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cc(C#N)cs3)[C@H]2C1 ZINC000246852789 285746318 /nfs/dbraw/zinc/74/63/18/285746318.db2.gz QQMVBGCCHWSAJB-FRRDWIJNSA-N 0 0 306.387 2.028 10 30 DEEERN N#Cc1ccc(OCCNC(=O)Cc2noc3ccccc23)cc1 ZINC000173890609 144852600 /nfs/dbraw/zinc/85/26/00/144852600.db2.gz OJZSXEZCKYGPQY-UHFFFAOYSA-N 0 0 321.336 2.437 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)c2ccc(Cl)nc2)cn1 ZINC000183653685 144932321 /nfs/dbraw/zinc/93/23/21/144932321.db2.gz MPMFYNFTKLJNEC-UHFFFAOYSA-N 0 0 324.731 2.440 10 30 DEEERN C[C@]1(c2cccnc2)NC(=O)N(Cc2ccc(C#N)c(F)c2)C1=O ZINC000188062547 145006293 /nfs/dbraw/zinc/00/62/93/145006293.db2.gz JGXNVAJJVGLPRP-QGZVFWFLSA-N 0 0 324.315 2.060 10 30 DEEERN N#Cc1ccc(C2(C(=O)N[C@@H]3c4ccccc4C[C@H]3O)CC2)cc1 ZINC000188788611 145017523 /nfs/dbraw/zinc/01/75/23/145017523.db2.gz XPBRRVCMMDGFMK-QZTJIDSGSA-N 0 0 318.376 2.364 10 30 DEEERN CCCc1nc(C[S@](=O)Cc2ccc(C#N)c(F)c2)no1 ZINC000190764136 145047808 /nfs/dbraw/zinc/04/78/08/145047808.db2.gz YAFYACRQTXHKAE-OAQYLSRUSA-N 0 0 307.350 2.482 10 30 DEEERN Cc1noc(C)c1CS(=O)(=O)Cc1ccc(C#N)c(F)c1 ZINC000190885106 145050212 /nfs/dbraw/zinc/05/02/12/145050212.db2.gz FSDWYPMNFNFCIC-UHFFFAOYSA-N 0 0 308.334 2.417 10 30 DEEERN CCCn1c(CO)nnc1SCc1ccc(C#N)c(F)c1 ZINC000191013649 145051907 /nfs/dbraw/zinc/05/19/07/145051907.db2.gz WPDKJFXTQWBXSM-UHFFFAOYSA-N 0 0 306.366 2.483 10 30 DEEERN CCNC(=O)c1ccc(C)c(NC(=O)c2ccnc(C#N)c2)c1 ZINC000192730201 145078490 /nfs/dbraw/zinc/07/84/90/145078490.db2.gz VVPOWJRRKREWTH-UHFFFAOYSA-N 0 0 308.341 2.264 10 30 DEEERN C[C@@H](NC(=O)c1ccnc(C#N)c1)c1ccc(-n2ccnn2)cc1 ZINC000193684555 145088889 /nfs/dbraw/zinc/08/88/89/145088889.db2.gz PSPXFBAKDLNNQE-GFCCVEGCSA-N 0 0 318.340 2.025 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000247158296 145127567 /nfs/dbraw/zinc/12/75/67/145127567.db2.gz ZHIWMWMBASZTDM-CABCVRRESA-N 0 0 320.414 2.199 10 30 DEEERN Cc1ncc(S(=O)(=O)N[C@H](C)c2cccs2)cc1C#N ZINC000312418785 145354506 /nfs/dbraw/zinc/35/45/06/145354506.db2.gz OXUQECLVUSTBSC-SNVBAGLBSA-N 0 0 307.400 2.363 10 30 DEEERN CCOCc1nc([C@H](C)NC(=O)c2cccc(C#N)c2C)no1 ZINC000358422666 147131256 /nfs/dbraw/zinc/13/12/56/147131256.db2.gz NDJLSZCDLKISBG-NSHDSACASA-N 0 0 314.345 2.277 10 30 DEEERN N#Cc1cnccc1NC(=O)c1csc(Br)c1 ZINC000358633279 147170274 /nfs/dbraw/zinc/17/02/74/147170274.db2.gz QIRPNOQIYSIUBL-UHFFFAOYSA-N 0 0 308.160 2.451 10 30 DEEERN CCN1C(=S)N=NC1C1CCN(c2ccncc2C#N)CC1 ZINC000372276073 148188211 /nfs/dbraw/zinc/18/82/11/148188211.db2.gz ZGSMIIPMPLERBV-UHFFFAOYSA-N 0 0 314.418 2.237 10 30 DEEERN N#Cc1ccccc1/C=C/C(=O)N1CCN[C@@H](c2ccncc2)C1 ZINC000374390338 148240733 /nfs/dbraw/zinc/24/07/33/148240733.db2.gz VEQGOLYCLMNVTK-DUMMIQTOSA-N 0 0 318.380 2.140 10 30 DEEERN C[C@@H]1N(C(=O)COc2ccc(C#N)cc2)CCC12CCOCC2 ZINC000374953752 148309477 /nfs/dbraw/zinc/30/94/77/148309477.db2.gz NLXXDHFWOVYIFK-AWEZNQCLSA-N 0 0 314.385 2.355 10 30 DEEERN N#Cc1cccc(NC(=O)C(=O)NC[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000111921363 401728219 /nfs/dbraw/zinc/72/82/19/401728219.db2.gz ZRZFJZIRUCOUGB-NVXWUHKLSA-N 0 0 319.364 2.417 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@H](CC(N)=O)C1CCCCC1 ZINC000127335421 401729478 /nfs/dbraw/zinc/72/94/78/401729478.db2.gz UOSFHGKUGPTUOG-MRXNPFEDSA-N 0 0 313.401 2.421 10 30 DEEERN CC(=O)C(=Cc1ccc(I)o1)C(C)=O ZINC000006856613 401733289 /nfs/dbraw/zinc/73/32/89/401733289.db2.gz JGAXDBPTQQGRFG-UHFFFAOYSA-N 0 0 304.083 2.446 10 30 DEEERN CSCCCCNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000126329692 401689397 /nfs/dbraw/zinc/68/93/97/401689397.db2.gz JLGAAJYGCXWFIW-UHFFFAOYSA-N 0 0 321.446 2.055 10 30 DEEERN Cn1cc([C@@H]2CCCN2C(=O)Cc2cccc(OCC#N)c2)cn1 ZINC000126462955 401695520 /nfs/dbraw/zinc/69/55/20/401695520.db2.gz SBIHYBJOTIIDJV-KRWDZBQOSA-N 0 0 324.384 2.229 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)C1=NN(CC(C)C)C(=O)CC1 ZINC000129414191 401803807 /nfs/dbraw/zinc/80/38/07/401803807.db2.gz QBDFEKGSLVZXRJ-UHFFFAOYSA-N 0 0 319.327 2.198 10 30 DEEERN N#Cc1cccnc1N1CCN(Cc2cccc(Cl)n2)CC1 ZINC000075594254 401763304 /nfs/dbraw/zinc/76/33/04/401763304.db2.gz QOPGNDWMLWPHRO-UHFFFAOYSA-N 0 0 313.792 2.324 10 30 DEEERN N#Cc1ccc(NCCCn2ccnn2)c(Br)c1 ZINC000128473070 401778415 /nfs/dbraw/zinc/77/84/15/401778415.db2.gz LGSJDAWQQQRYAS-UHFFFAOYSA-N 0 0 306.167 2.414 10 30 DEEERN CNC(=O)CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000130181951 401821821 /nfs/dbraw/zinc/82/18/21/401821821.db2.gz MPEHCWBVIIQVPM-UHFFFAOYSA-N 0 0 323.352 2.212 10 30 DEEERN C=CCCCN(C)C(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000078122476 401841301 /nfs/dbraw/zinc/84/13/01/401841301.db2.gz BPRMLAPYMHZYNK-HNNXBMFYSA-N 0 0 309.454 2.489 10 30 DEEERN Cn1cc([C@H]2CCN(C(=O)Nc3ccc(F)c(C#N)c3)C2)cn1 ZINC000116498080 401853681 /nfs/dbraw/zinc/85/36/81/401853681.db2.gz HGLWYEUCTVRHPE-NSHDSACASA-N 0 0 313.336 2.452 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000078598866 401857280 /nfs/dbraw/zinc/85/72/80/401857280.db2.gz ZORWHUKDMUSDBT-HOCLYGCPSA-N 0 0 316.401 2.232 10 30 DEEERN C=C[C@H](CC(=O)NC[C@@H]1CN(C2CC2)CCO1)c1ccccc1 ZINC000134813096 401915470 /nfs/dbraw/zinc/91/54/70/401915470.db2.gz ULJJGBUYGMDPKB-CRAIPNDOSA-N 0 0 314.429 2.326 10 30 DEEERN CC(C)[C@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000134980777 401922858 /nfs/dbraw/zinc/92/28/58/401922858.db2.gz URRYVIDQHDNYER-HNNXBMFYSA-N 0 0 306.431 2.310 10 30 DEEERN N#Cc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccco2)c1 ZINC000045406457 401957056 /nfs/dbraw/zinc/95/70/56/401957056.db2.gz VXANXJFWKURQJS-HNNXBMFYSA-N 0 0 323.352 2.072 10 30 DEEERN Cn1ccnc1C[C@H]1CCCN(C(=O)C2(C#N)CCCC2)C1 ZINC000120106559 401977948 /nfs/dbraw/zinc/97/79/48/401977948.db2.gz CHQNNUPZYAFOBI-CQSZACIVSA-N 0 0 300.406 2.285 10 30 DEEERN C#Cc1cccc(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)c1 ZINC000047100719 401978759 /nfs/dbraw/zinc/97/87/59/401978759.db2.gz BLDHLIXAQZSNSS-INIZCTEOSA-N 0 0 321.384 2.248 10 30 DEEERN CCOc1cc(I)ccc1OC[C@H]1CO1 ZINC000142001975 401990578 /nfs/dbraw/zinc/99/05/78/401990578.db2.gz HOWKGDZIICDCAW-SECBINFHSA-N 0 0 320.126 2.468 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000151022745 402010909 /nfs/dbraw/zinc/01/09/09/402010909.db2.gz GTBFPKRISLPZQC-CYBMUJFWSA-N 0 0 306.385 2.407 10 30 DEEERN COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(C#N)cc1 ZINC000151191801 402022556 /nfs/dbraw/zinc/02/25/56/402022556.db2.gz ZGMWWITWZQWDGQ-WFASDCNBSA-N 0 0 311.389 2.482 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000121290744 402025909 /nfs/dbraw/zinc/02/59/09/402025909.db2.gz OUGAQEWCLQKFFR-IMJJTQAJSA-N 0 0 314.385 2.353 10 30 DEEERN CSCCCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000121400567 402033139 /nfs/dbraw/zinc/03/31/39/402033139.db2.gz MXMSZFDNBWGSDY-INIZCTEOSA-N 0 0 317.458 2.366 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC1CCOCC1 ZINC000121584128 402045481 /nfs/dbraw/zinc/04/54/81/402045481.db2.gz YXGLGNHMIWLUHD-CYBMUJFWSA-N 0 0 302.374 2.211 10 30 DEEERN Cc1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2C#N)o1 ZINC000151752300 402054567 /nfs/dbraw/zinc/05/45/67/402054567.db2.gz RLCXSDWDBOLSMC-UHFFFAOYSA-N 0 0 308.334 2.420 10 30 DEEERN CCOC(=O)CCN(C(=O)c1cc(C#N)cn1C)C(C)(C)C ZINC000122302598 402071123 /nfs/dbraw/zinc/07/11/23/402071123.db2.gz LESBBZLHPHJLAY-UHFFFAOYSA-N 0 0 305.378 2.091 10 30 DEEERN CC(C)(C)c1ccc(OCC(=O)N2CCN(CC#N)CC2)cc1 ZINC000152718859 402105627 /nfs/dbraw/zinc/10/56/27/402105627.db2.gz ZRMIPZYRLHPYLV-UHFFFAOYSA-N 0 0 315.417 2.031 10 30 DEEERN C=CCN(CC(=O)NCC1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063288066 402111938 /nfs/dbraw/zinc/11/19/38/402111938.db2.gz QZCCABDPWCQAME-UHFFFAOYSA-N 0 0 303.362 2.109 10 30 DEEERN N#Cc1cccnc1N1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000103139388 402179186 /nfs/dbraw/zinc/17/91/86/402179186.db2.gz VJVWBERTLXTORA-UHFFFAOYSA-N 0 0 321.359 2.286 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000068539767 402201410 /nfs/dbraw/zinc/20/14/10/402201410.db2.gz NOPRRGJLICQZSP-STQMWFEESA-N 0 0 302.374 2.351 10 30 DEEERN COc1ccc(COc2cccc(OCC(N)=O)c2)cc1C#N ZINC000153662024 402161304 /nfs/dbraw/zinc/16/13/04/402161304.db2.gz BMTVKCFSGHERDM-UHFFFAOYSA-N 0 0 312.325 2.010 10 30 DEEERN N#Cc1cc2n(n1)CCN(C(=O)CCc1c[nH]c3ccccc13)C2 ZINC000067803136 402172993 /nfs/dbraw/zinc/17/29/93/402172993.db2.gz YYRCYMASUBFXPZ-UHFFFAOYSA-N 0 0 319.368 2.211 10 30 DEEERN CCc1onc(C)c1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000125380864 402229316 /nfs/dbraw/zinc/22/93/16/402229316.db2.gz CICYWGGTLXDAOY-UHFFFAOYSA-N 0 0 311.341 2.321 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125578087 402239930 /nfs/dbraw/zinc/23/99/30/402239930.db2.gz AIMUCRPAHZHULU-UHFFFAOYSA-N 0 0 300.330 2.423 10 30 DEEERN N#C[C@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)C1CC1 ZINC000108839851 402262448 /nfs/dbraw/zinc/26/24/48/402262448.db2.gz OXFMGUCSKARGFG-INIZCTEOSA-N 0 0 320.352 2.366 10 30 DEEERN CC(=O)CCc1ccc(OCC(=O)N[C@H](C#N)C2CC2)cc1 ZINC000108841617 402262647 /nfs/dbraw/zinc/26/26/47/402262647.db2.gz XNOIZXXKBGTIQM-MRXNPFEDSA-N 0 0 300.358 2.005 10 30 DEEERN N#CCCN(C(=O)CCC(=O)N[C@H](C#N)C1CC1)c1ccccc1 ZINC000109286711 402270627 /nfs/dbraw/zinc/27/06/27/402270627.db2.gz WBQVITJPZZSNIM-MRXNPFEDSA-N 0 0 324.384 2.132 10 30 DEEERN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1CCCSCC#N ZINC000184737937 402295948 /nfs/dbraw/zinc/29/59/48/402295948.db2.gz SEGZNGTWICQNLK-OAHLLOKOSA-N 0 0 321.421 2.254 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000184785660 402299585 /nfs/dbraw/zinc/29/95/85/402299585.db2.gz BULHPGNFKBMEOZ-ZDUSSCGKSA-N 0 0 305.378 2.462 10 30 DEEERN C[C@H](C(=O)OC(C)(C)C)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000176421702 402307593 /nfs/dbraw/zinc/30/75/93/402307593.db2.gz FKALDBBOHYDWEX-GFCCVEGCSA-N 0 0 317.389 2.159 10 30 DEEERN C#CCCCNC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000176471853 402312598 /nfs/dbraw/zinc/31/25/98/402312598.db2.gz VWFACRXDCPYORS-LBPRGKRZSA-N 0 0 307.344 2.256 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)OCCN1C(=O)c2ccccc2C1=O ZINC000185012337 402316852 /nfs/dbraw/zinc/31/68/52/402316852.db2.gz YJFMCOSOQMDKBF-GFCCVEGCSA-N 0 0 301.342 2.428 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000185892731 402387023 /nfs/dbraw/zinc/38/70/23/402387023.db2.gz RMYRVULHNSMWNC-AWEZNQCLSA-N 0 0 319.792 2.252 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000160449798 402346022 /nfs/dbraw/zinc/34/60/22/402346022.db2.gz SDTGCWJVVWSBTB-CHWSQXEVSA-N 0 0 302.378 2.205 10 30 DEEERN COc1ccc2c(c1)[C@]1(CC2)NC(=O)N(CCCCC#N)C1=O ZINC000160477913 402347080 /nfs/dbraw/zinc/34/70/80/402347080.db2.gz XQXYGXVKGGIOBR-KRWDZBQOSA-N 0 0 313.357 2.082 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000176895206 402347697 /nfs/dbraw/zinc/34/76/97/402347697.db2.gz HABTZEDYDVOODM-UHFFFAOYSA-N 0 0 323.331 2.152 10 30 DEEERN COc1cc(C#N)ccc1S(=O)(=O)NCCC1CCCC1 ZINC000185432251 402352092 /nfs/dbraw/zinc/35/20/92/402352092.db2.gz CWLNMYNXXXXDHI-UHFFFAOYSA-N 0 0 308.403 2.425 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cn(C)nc1-c1ccccc1Cl ZINC000185850128 402382631 /nfs/dbraw/zinc/38/26/31/402382631.db2.gz YTZUHTSFAFVUEV-NSHDSACASA-N 0 0 319.792 2.407 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC000185851577 402382764 /nfs/dbraw/zinc/38/27/64/402382764.db2.gz ZOIYXHMGRFFMKH-QGZVFWFLSA-N 0 0 313.401 2.215 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000185873185 402384710 /nfs/dbraw/zinc/38/47/10/402384710.db2.gz SARJCDJOIYICQI-JSGCOSHPSA-N 0 0 314.385 2.433 10 30 DEEERN COC(=O)[C@@H](N[C@H]1COc2ccccc21)c1cccc(C#N)c1 ZINC000176744511 402332742 /nfs/dbraw/zinc/33/27/42/402332742.db2.gz SVYHZUHHNNYJSO-RDJZCZTQSA-N 0 0 308.337 2.496 10 30 DEEERN CC[C@H]1CN(c2ccccc2)CCN1S(=O)(=O)CCCC#N ZINC000186110759 402402649 /nfs/dbraw/zinc/40/26/49/402402649.db2.gz NQSXTGIZYPSOJJ-HNNXBMFYSA-N 0 0 321.446 2.221 10 30 DEEERN N#Cc1c(N2C[C@@H](c3ccsc3)[C@H](CO)C2)nc2ccccn12 ZINC000186146754 402405501 /nfs/dbraw/zinc/40/55/01/402405501.db2.gz WWIMFJJOTGJPOV-KBPBESRZSA-N 0 0 324.409 2.480 10 30 DEEERN COc1ccc(Cn2c(-c3ccccc3)noc2=O)cc1C#N ZINC000162958470 402437280 /nfs/dbraw/zinc/43/72/80/402437280.db2.gz PXWCZJSJIWOKRO-UHFFFAOYSA-N 0 0 307.309 2.432 10 30 DEEERN Cc1cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c2cnn(C)c2n1 ZINC000177865448 402441720 /nfs/dbraw/zinc/44/17/20/402441720.db2.gz XCTHEMSFAXZNEZ-GTNSWQLSSA-N 0 0 311.389 2.479 10 30 DEEERN N#CCOc1ccccc1C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000163350891 402447563 /nfs/dbraw/zinc/44/75/63/402447563.db2.gz NHHUJZBFZBTKJV-UKRRQHHQSA-N 0 0 300.358 2.230 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnn(-c2ccc(F)cc2)c1CC ZINC000185932762 402390435 /nfs/dbraw/zinc/39/04/35/402390435.db2.gz LXTABZFJHGWSBS-ZDUSSCGKSA-N 0 0 317.364 2.241 10 30 DEEERN C[C@@H](CC#N)N(C)C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000163839272 402458426 /nfs/dbraw/zinc/45/84/26/402458426.db2.gz VCOZKVHLQJIFRQ-NSHDSACASA-N 0 0 303.337 2.327 10 30 DEEERN Cc1ccc(N(C)C[C@H](O)COCc2ccccc2)nc1C#N ZINC000189857347 402562703 /nfs/dbraw/zinc/56/27/03/402562703.db2.gz IKXKJZUCYJKOCL-INIZCTEOSA-N 0 0 311.385 2.276 10 30 DEEERN Cc1nc(C[C@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2)no1 ZINC000171234544 402569343 /nfs/dbraw/zinc/56/93/43/402569343.db2.gz NEXQDJIGEAIOMS-MRXNPFEDSA-N 0 0 324.384 2.274 10 30 DEEERN N#CCCN(CC(F)(F)F)C(=O)c1cn2ccnc2s1 ZINC000188737387 402524706 /nfs/dbraw/zinc/52/47/06/402524706.db2.gz NPNATHKYSJGNEF-UHFFFAOYSA-N 0 0 302.281 2.314 10 30 DEEERN C=CCC[C@H](C(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000189470959 402539385 /nfs/dbraw/zinc/53/93/85/402539385.db2.gz LKQCUCZQWNIFFL-CVEARBPZSA-N 0 0 310.401 2.459 10 30 DEEERN COC1(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CCC1 ZINC000180397917 402615091 /nfs/dbraw/zinc/61/50/91/402615091.db2.gz RFXICFDNYLBQQX-UHFFFAOYSA-N 0 0 314.794 2.059 10 30 DEEERN CCn1cc([C@H]2CN(Cc3cc(F)ccc3C#N)CCO2)cn1 ZINC000190816450 402624547 /nfs/dbraw/zinc/62/45/47/402624547.db2.gz AXXMWQAFHGMNII-QGZVFWFLSA-N 0 0 314.364 2.487 10 30 DEEERN CC[C@@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000173798336 402713067 /nfs/dbraw/zinc/71/30/67/402713067.db2.gz GOCILJKTVCKOKZ-DZGCQCFKSA-N 0 0 317.389 2.146 10 30 DEEERN C[C@@H](NC(=O)CSCC#N)c1cccc(-n2ccnc2)c1 ZINC000173912703 402718956 /nfs/dbraw/zinc/71/89/56/402718956.db2.gz HCNCCXFWHGKPGA-GFCCVEGCSA-N 0 0 300.387 2.306 10 30 DEEERN O=C(CON=C1CCCc2nonc21)Nc1ccccc1Cl ZINC000254486569 402670589 /nfs/dbraw/zinc/67/05/89/402670589.db2.gz AYBHIRUBOFPJNO-UHFFFAOYSA-N 0 0 320.736 2.419 10 30 DEEERN COc1ccc(Nc2nc(C(=O)N(C)CC#N)cs2)cc1 ZINC000172725374 402671590 /nfs/dbraw/zinc/67/15/90/402671590.db2.gz HQZUXPZNPICXGD-UHFFFAOYSA-N 0 0 302.359 2.491 10 30 DEEERN N#Cc1cc(F)ccc1NC(=O)C(=O)NC/C=C\c1ccccc1 ZINC000255338914 402684297 /nfs/dbraw/zinc/68/42/97/402684297.db2.gz BSZFJKYWXLMBJW-DAXSKMNVSA-N 0 0 323.327 2.465 10 30 DEEERN Cc1cccc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000173227324 402688814 /nfs/dbraw/zinc/68/88/14/402688814.db2.gz ULNMDWBZDJLLJT-UHFFFAOYSA-N 0 0 323.352 2.000 10 30 DEEERN Cc1ccc(-n2nc(C#N)c(N3CCCC[C@H]3CCO)n2)cc1 ZINC000256048779 402700327 /nfs/dbraw/zinc/70/03/27/402700327.db2.gz WDVILCGHZJUTGX-AWEZNQCLSA-N 0 0 311.389 2.189 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000173527643 402701126 /nfs/dbraw/zinc/70/11/26/402701126.db2.gz LMRSXJNOJRKXLK-BNOWGMLFSA-N 0 0 300.358 2.322 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCc1c(C)[nH]c2ccccc21 ZINC000183300203 402754320 /nfs/dbraw/zinc/75/43/20/402754320.db2.gz BVIBUWBHSIAYQT-ZDUSSCGKSA-N 0 0 301.390 2.255 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000183468834 402770334 /nfs/dbraw/zinc/77/03/34/402770334.db2.gz YSYHMKYGMYQRAS-CQSZACIVSA-N 0 0 303.362 2.094 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000183736760 402793279 /nfs/dbraw/zinc/79/32/79/402793279.db2.gz GFHZDHGBJIOYCT-ZIAGYGMSSA-N 0 0 314.389 2.170 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000175286808 402794509 /nfs/dbraw/zinc/79/45/09/402794509.db2.gz UEPYYWNLVXSFML-KRWDZBQOSA-N 0 0 323.396 2.371 10 30 DEEERN CC[C@H](CC#N)NC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000183869360 402802524 /nfs/dbraw/zinc/80/25/24/402802524.db2.gz FURQPRCQVLLTMZ-ZBFHGGJFSA-N 0 0 317.389 2.071 10 30 DEEERN COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000184434436 402843707 /nfs/dbraw/zinc/84/37/07/402843707.db2.gz FLTBZAPBPGMIGV-NHYWBVRUSA-N 0 0 304.346 2.089 10 30 DEEERN CCC[C@H](CC)NC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000195282890 402840539 /nfs/dbraw/zinc/84/05/39/402840539.db2.gz UZZBDUBZPFBDJV-HNNXBMFYSA-N 0 0 315.421 2.364 10 30 DEEERN C=CCc1cc(C(=O)NC(C)(C)[C@@H](C)O)cc(OC)c1OC ZINC000271271407 402851368 /nfs/dbraw/zinc/85/13/68/402851368.db2.gz IPUJUZPTQVQCRM-LLVKDONJSA-N 0 0 307.390 2.322 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@H](O)c1cccc(OC(C)C)c1 ZINC000278354154 402863794 /nfs/dbraw/zinc/86/37/94/402863794.db2.gz LAYBJPCBUHJEEG-SFHVURJKSA-N 0 0 313.397 2.286 10 30 DEEERN C=CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000265225418 402902395 /nfs/dbraw/zinc/90/23/95/402902395.db2.gz AEDCDKUHOXOCNZ-OCCSQVGLSA-N 0 0 304.415 2.283 10 30 DEEERN CC1(C#N)CCN(c2ccc(C(=O)NC3CCCC3)nn2)CC1 ZINC000272427544 402936390 /nfs/dbraw/zinc/93/63/90/402936390.db2.gz FYRPBABBUQUHEQ-UHFFFAOYSA-N 0 0 313.405 2.279 10 30 DEEERN C=CC[C@@H](CO)Nc1cc(C(=O)NC2CC2)c2ccccc2n1 ZINC000273203676 402982453 /nfs/dbraw/zinc/98/24/53/402982453.db2.gz FMIQECZCSZQIQK-ZDUSSCGKSA-N 0 0 311.385 2.476 10 30 DEEERN C=CC[C@H](CC)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000281062351 403057567 /nfs/dbraw/zinc/05/75/67/403057567.db2.gz LNAKPLMMPZYCCU-OFQRWUPVSA-N 0 0 301.390 2.072 10 30 DEEERN C=CCN1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2C)C1=O ZINC000281143101 403059170 /nfs/dbraw/zinc/05/91/70/403059170.db2.gz DXVVVNCJGWSSJR-OAHLLOKOSA-N 0 0 303.362 2.122 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCCc1ccccn1 ZINC000281589089 403072535 /nfs/dbraw/zinc/07/25/35/403072535.db2.gz QEURKSOFNVKPSZ-ZBFHGGJFSA-N 0 0 303.406 2.295 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N1CC[C@](O)(C(F)(F)F)C1 ZINC000282126344 403124794 /nfs/dbraw/zinc/12/47/94/403124794.db2.gz AIDCJMFZOHWXES-ZWNOBZJWSA-N 0 0 318.343 2.481 10 30 DEEERN C=C(C)Cn1c(CC2CC2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC000282812305 403160312 /nfs/dbraw/zinc/16/03/12/403160312.db2.gz IDVLGFVLDLPAGL-AWEZNQCLSA-N 0 0 318.421 2.196 10 30 DEEERN C=C[C@](C)(CC)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000276018323 403139603 /nfs/dbraw/zinc/13/96/03/403139603.db2.gz RSDKQZLCUNKUGQ-QGZVFWFLSA-N 0 0 321.396 2.276 10 30 DEEERN C=CCn1c(C)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000282290174 403140497 /nfs/dbraw/zinc/14/04/97/403140497.db2.gz NTBYJEQQSJDBRD-CYBMUJFWSA-N 0 0 314.393 2.417 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC000282651531 403157860 /nfs/dbraw/zinc/15/78/60/403157860.db2.gz QNUHGMCWYHIFRQ-MJBXVCDLSA-N 0 0 306.410 2.034 10 30 DEEERN C#CCOc1ccccc1CN1C(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C1=O ZINC000277433445 403217221 /nfs/dbraw/zinc/21/72/21/403217221.db2.gz BOBBOHNDSIBTKL-QRTARXTBSA-N 0 0 324.380 2.261 10 30 DEEERN CN(C)c1ccc(S(=O)(=O)N2CCCC(C)(C)[C@H]2C#N)cc1 ZINC000277482441 403222385 /nfs/dbraw/zinc/22/23/85/403222385.db2.gz MLGWYDUHXRMJDU-OAHLLOKOSA-N 0 0 321.446 2.455 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)N1CCCCCC1 ZINC000285438378 403297118 /nfs/dbraw/zinc/29/71/18/403297118.db2.gz XJPYGTWFTHEEQB-KRWDZBQOSA-N 0 0 320.458 2.331 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(N2C(=O)CCC2=O)c(C)c1 ZINC000277764513 403254419 /nfs/dbraw/zinc/25/44/19/403254419.db2.gz SLPCRLFKJMVGIV-UHFFFAOYSA-N 0 0 322.364 2.250 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](C)c1cc(F)ccc1OC ZINC000284574868 403269270 /nfs/dbraw/zinc/26/92/70/403269270.db2.gz XBDHGWOESLWFDU-GFCCVEGCSA-N 0 0 322.380 2.436 10 30 DEEERN Cc1nc(N2CCO[C@]3(CCCOC3)C2)c(Cl)cc1C#N ZINC000292358876 403357914 /nfs/dbraw/zinc/35/79/14/403357914.db2.gz COYMRSMCZCNWBI-OAHLLOKOSA-N 0 0 307.781 2.301 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](O)CC1 ZINC000298030014 403306685 /nfs/dbraw/zinc/30/66/85/403306685.db2.gz QQONDOQLLXEMER-SJORKVTESA-N 0 0 300.402 2.177 10 30 DEEERN C=C[C@@](C)(CCOC)c1nc(C2(COC)CCOCC2)no1 ZINC000293314571 403441047 /nfs/dbraw/zinc/44/10/47/403441047.db2.gz YUGDFDSOHZZSNM-HNNXBMFYSA-N 0 0 310.394 2.244 10 30 DEEERN C=CCCOCCNC(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000339918646 403492992 /nfs/dbraw/zinc/49/29/92/403492992.db2.gz KHDMGUMQWWMXNY-AWEZNQCLSA-N 0 0 317.389 2.004 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@@H]1OC ZINC000293588906 403512452 /nfs/dbraw/zinc/51/24/52/403512452.db2.gz OEOURBGEEKCJJL-HOCLYGCPSA-N 0 0 314.385 2.193 10 30 DEEERN C=CCSCCNC(=O)c1cc[nH]c(=O)c1Br ZINC000346482842 403591541 /nfs/dbraw/zinc/59/15/41/403591541.db2.gz DRSATDNNBMCLGP-UHFFFAOYSA-N 0 0 317.208 2.199 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000346740143 403600754 /nfs/dbraw/zinc/60/07/54/403600754.db2.gz GLRVBCSZQNSGPG-HZPDHXFCSA-N 0 0 315.417 2.314 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1c(Cl)cccc1OC ZINC000287238246 403557264 /nfs/dbraw/zinc/55/72/64/403557264.db2.gz IWOXURFZDNPAOB-UHFFFAOYSA-N 0 0 324.808 2.389 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1c(C)nn(C)c1OC ZINC000287562875 403623149 /nfs/dbraw/zinc/62/31/49/403623149.db2.gz WVOBUJZUBDVSQG-HNNXBMFYSA-N 0 0 311.385 2.102 10 30 DEEERN Cc1nc(CN2CCN(c3ccc(C#N)c(Cl)c3)CC2)no1 ZINC000301409568 403625153 /nfs/dbraw/zinc/62/51/53/403625153.db2.gz XFFQFSDLBANYDH-UHFFFAOYSA-N 0 0 317.780 2.225 10 30 DEEERN C=CC[C@H](CO)Nc1ccc(C(=O)N2CCC(C)CC2)cn1 ZINC000302117144 403708274 /nfs/dbraw/zinc/70/82/74/403708274.db2.gz DGODUSOKWAXFLB-OAHLLOKOSA-N 0 0 303.406 2.303 10 30 DEEERN N#Cc1cc2c(nc1NC[C@]1(CCO)CCOC1)CCCC2 ZINC000301931367 403702822 /nfs/dbraw/zinc/70/28/22/403702822.db2.gz OQRIGCALWYIMML-KRWDZBQOSA-N 0 0 301.390 2.033 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](CCO)C(C)C ZINC000288045704 403714562 /nfs/dbraw/zinc/71/45/62/403714562.db2.gz DZGSRJXWLYZFHV-IAGOWNOFSA-N 0 0 302.418 2.327 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](CC)CCO ZINC000288121025 403729111 /nfs/dbraw/zinc/72/91/11/403729111.db2.gz KBJVUWLRSGBQEG-RDJZCZTQSA-N 0 0 302.418 2.329 10 30 DEEERN C=CCC(F)(F)C(=O)Nc1cc2c(cc1C(=O)OC)OCO2 ZINC000295048899 403743362 /nfs/dbraw/zinc/74/33/62/403743362.db2.gz YXFXWRPEOLQDAE-UHFFFAOYSA-N 0 0 313.256 2.352 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCOC[C@H]1OC ZINC000295208638 403796892 /nfs/dbraw/zinc/79/68/92/403796892.db2.gz GENCMTXXBPXFHO-RCCFBDPRSA-N 0 0 315.413 2.179 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(C(=O)OCC)cc1 ZINC000362537308 403964362 /nfs/dbraw/zinc/96/43/62/403964362.db2.gz HNJCOYBQFTZKQA-HOTGVXAUSA-N 0 0 317.385 2.461 10 30 DEEERN N#CCSCCCN1CCO[C@@H](COc2ccccc2)C1 ZINC000361982719 403915568 /nfs/dbraw/zinc/91/55/68/403915568.db2.gz GQSWHKUGXRQTKM-MRXNPFEDSA-N 0 0 306.431 2.413 10 30 DEEERN C=CCc1ccc(OCC(=O)N(C)CCCCO)c(OC)c1 ZINC000351790695 403920186 /nfs/dbraw/zinc/92/01/86/403920186.db2.gz PNHDKYXACUJEND-UHFFFAOYSA-N 0 0 307.390 2.033 10 30 DEEERN C=CCN1CC[C@H](N2CCC[C@]3(C2)OCc2ccccc23)C1=O ZINC000337204324 403973560 /nfs/dbraw/zinc/97/35/60/403973560.db2.gz IUTONQQLVROSHX-PKOBYXMFSA-N 0 0 312.413 2.295 10 30 DEEERN C=CCN(C)C(=O)C(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000354882346 404078904 /nfs/dbraw/zinc/07/89/04/404078904.db2.gz JOXMTLRUDKSWBE-HOTGVXAUSA-N 0 0 300.402 2.473 10 30 DEEERN C=CCOC[C@H]1NC(=O)N(c2cccc([C@H](C)OC)c2)C1=O ZINC000348647617 404086805 /nfs/dbraw/zinc/08/68/05/404086805.db2.gz QMMHQHIXXXJVET-SMDDNHRTSA-N 0 0 304.346 2.021 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000290223552 404089233 /nfs/dbraw/zinc/08/92/33/404089233.db2.gz KELNKNJOFXVXBM-GOSISDBHSA-N 0 0 314.385 2.255 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CCN1C1CC1 ZINC000363080020 404063104 /nfs/dbraw/zinc/06/31/04/404063104.db2.gz QYUUSPWNMOVPPT-BRWVUGGUSA-N 0 0 313.376 2.128 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)c3scnc3C)C2)n1 ZINC000328612921 404113903 /nfs/dbraw/zinc/11/39/03/404113903.db2.gz QBDMLGNXGCILQW-NSHDSACASA-N 0 0 319.390 2.343 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)NC[C@@H]1CCC[C@H](O)C1)CCC2 ZINC000328641717 404121764 /nfs/dbraw/zinc/12/17/64/404121764.db2.gz DIEACLBAWRKMRZ-ILXRZTDVSA-N 0 0 320.437 2.124 10 30 DEEERN CS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc(C3CC3)cc2)C1 ZINC000328652555 404125154 /nfs/dbraw/zinc/12/51/54/404125154.db2.gz KBUHZJAOZMUCBK-HNNXBMFYSA-N 0 0 322.430 2.097 10 30 DEEERN CN1CCO[C@@H](CN(CC2CC2)C(=O)NC(C2CC2)C2CC2)C1 ZINC000328656700 404125489 /nfs/dbraw/zinc/12/54/89/404125489.db2.gz ZOYWFQMRZONWGG-MRXNPFEDSA-N 0 0 321.465 2.132 10 30 DEEERN Cn1nccc1NC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328660127 404127163 /nfs/dbraw/zinc/12/71/63/404127163.db2.gz UWBJKMDUWYIZHC-GXTWGEPZSA-N 0 0 301.350 2.061 10 30 DEEERN C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCNC2=O)[C@@H]1c1ccccc1 ZINC000328879994 404166626 /nfs/dbraw/zinc/16/66/26/404166626.db2.gz KLQNQSZBAHHZHU-ZNMIVQPWSA-N 0 0 316.405 2.054 10 30 DEEERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N[C@@H]1CCCNC1=O ZINC000328930003 404177670 /nfs/dbraw/zinc/17/76/70/404177670.db2.gz HIAVQKQCGXGPLO-JHJVBQTASA-N 0 0 302.378 2.229 10 30 DEEERN CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000329138353 404241466 /nfs/dbraw/zinc/24/14/66/404241466.db2.gz IFZDKKILYLCORX-DZKIICNBSA-N 0 0 302.374 2.342 10 30 DEEERN C=C(Cl)CNC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000363959792 404268036 /nfs/dbraw/zinc/26/80/36/404268036.db2.gz GYJBPEBFESFKJJ-JTQLQIEISA-N 0 0 315.204 2.365 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NC1CCC(C)(C)CC1 ZINC000352315917 404284676 /nfs/dbraw/zinc/28/46/76/404284676.db2.gz QKVJFFRZCPONLX-DZGCQCFKSA-N 0 0 322.449 2.169 10 30 DEEERN CCn1nc(C(=O)NCC2(O)CCCC2)c(=O)c2ccccc21 ZINC000329502861 404357919 /nfs/dbraw/zinc/35/79/19/404357919.db2.gz GPEJMBPMHUAIBL-UHFFFAOYSA-N 0 0 315.373 2.026 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC000364073174 404307545 /nfs/dbraw/zinc/30/75/45/404307545.db2.gz OVGVCVDEVALHIG-ZIAGYGMSSA-N 0 0 310.438 2.121 10 30 DEEERN CN1C[C@H](NC(=O)C[C@H]2Sc3ccccc3NC2=O)CC1=O ZINC000329377993 404319595 /nfs/dbraw/zinc/31/95/95/404319595.db2.gz MJGWZEGFMOYGNT-BXKDBHETSA-N 0 0 319.386 2.326 10 30 DEEERN C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000329607564 404390534 /nfs/dbraw/zinc/39/05/34/404390534.db2.gz CITZOLFRCQBJRD-BPLDGKMQSA-N 0 0 308.422 2.359 10 30 DEEERN C=CC[C@H](C)NC(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000291466865 404390946 /nfs/dbraw/zinc/39/09/46/404390946.db2.gz KIDVFPIUIFOWTG-LURJTMIESA-N 0 0 307.297 2.181 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)COc1ccc(/C=C/C)cc1OC ZINC000342211385 404445000 /nfs/dbraw/zinc/44/50/00/404445000.db2.gz ONPOOHUEQLIZIZ-CSPWOOARSA-N 0 0 319.401 2.408 10 30 DEEERN CN(C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)[C@H]1CCNC1=O ZINC000329800714 404456374 /nfs/dbraw/zinc/45/63/74/404456374.db2.gz IQFXCMKITDPWCA-ILXRZTDVSA-N 0 0 317.389 2.481 10 30 DEEERN Cc1cnn(CCNc2ncc(Br)cc2C#N)c1 ZINC000297123685 404460382 /nfs/dbraw/zinc/46/03/82/404460382.db2.gz MOGISAVCCJUSKM-UHFFFAOYSA-N 0 0 306.167 2.333 10 30 DEEERN C=C[C@H](C)NC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000342243192 404463027 /nfs/dbraw/zinc/46/30/27/404463027.db2.gz ZJAVRFLWCLKWBX-KCQAQPDRSA-N 0 0 301.390 2.050 10 30 DEEERN C=CCC[C@H]1NC(=O)N(c2cc(OC)c(OC)cc2C)C1=O ZINC000414357705 404591147 /nfs/dbraw/zinc/59/11/47/404591147.db2.gz JZJDLXRXJOCMHR-LLVKDONJSA-N 0 0 304.346 2.403 10 30 DEEERN CCc1ccccc1CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000364825097 404538517 /nfs/dbraw/zinc/53/85/17/404538517.db2.gz JLMNBRZEAMZDST-KRWDZBQOSA-N 0 0 312.417 2.131 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000342390804 404549892 /nfs/dbraw/zinc/54/98/92/404549892.db2.gz DYIAVXMLTSOLLG-XHSDSOJGSA-N 0 0 305.374 2.102 10 30 DEEERN C=CCCN(C)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000342394047 404552514 /nfs/dbraw/zinc/55/25/14/404552514.db2.gz WQMXTJCUKVJIRF-UHFFFAOYSA-N 0 0 317.433 2.236 10 30 DEEERN C=C(C)CN(C)C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000351533941 404630831 /nfs/dbraw/zinc/63/08/31/404630831.db2.gz DOFNUYAYIXVVHR-UHFFFAOYSA-N 0 0 301.795 2.148 10 30 DEEERN C=CCN(C(=O)c1ccc2c(c1)C(=O)N(CC=C)C2=O)C1CC1 ZINC000357943683 404748733 /nfs/dbraw/zinc/74/87/33/404748733.db2.gz GNOSOEGTKPZUQE-UHFFFAOYSA-N 0 0 310.353 2.259 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)N[C@H](COC)c1ccccc1 ZINC000357958702 404749355 /nfs/dbraw/zinc/74/93/55/404749355.db2.gz KRURTBWFMKWTIA-GOEBONIOSA-N 0 0 318.417 2.351 10 30 DEEERN C=CCSCCNC(=O)N1CCN(c2cnccc2C)CC1 ZINC000353153785 404755838 /nfs/dbraw/zinc/75/58/38/404755838.db2.gz RAVZJYOFDHCVFK-UHFFFAOYSA-N 0 0 320.462 2.141 10 30 DEEERN C=C(Br)CN(C)C1CCN(c2cnccn2)CC1 ZINC000366104994 404757343 /nfs/dbraw/zinc/75/73/43/404757343.db2.gz SOOSSJROQZWNEU-UHFFFAOYSA-N 0 0 311.227 2.286 10 30 DEEERN C=CCOc1ccc(C(=O)NC[C@@H](CO)C2CC2)cc1OC ZINC000358352985 404761090 /nfs/dbraw/zinc/76/10/90/404761090.db2.gz NUKZNYYUQYROBH-AWEZNQCLSA-N 0 0 305.374 2.008 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366175448 404767674 /nfs/dbraw/zinc/76/76/74/404767674.db2.gz ZQJJIBBJLSOMCD-UONOGXRCSA-N 0 0 316.467 2.340 10 30 DEEERN N#CCC[C@@H](NC(=O)NC[C@@H](CO)C1CC1)c1ccccc1 ZINC000359241969 404787989 /nfs/dbraw/zinc/78/79/89/404787989.db2.gz MOHYIXWPKDANBK-JKSUJKDBSA-N 0 0 301.390 2.349 10 30 DEEERN C=CCOC[C@@H](NC(=O)c1coc2cc(F)ccc12)C(=O)OC ZINC000360746114 404836895 /nfs/dbraw/zinc/83/68/95/404836895.db2.gz OEUWWXLWMOPLOJ-CYBMUJFWSA-N 0 0 321.304 2.046 10 30 DEEERN C=CCN(CCC#N)C(=O)c1ccc2c(c1)C(=O)N(CC=C)C2=O ZINC000359392560 404792325 /nfs/dbraw/zinc/79/23/25/404792325.db2.gz QBQJPOUBGILKGS-UHFFFAOYSA-N 0 0 323.352 2.010 10 30 DEEERN C#CCCCS(=O)(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000376350502 404819465 /nfs/dbraw/zinc/81/94/65/404819465.db2.gz QQIJLZSDFZJGAQ-KRWDZBQOSA-N 0 0 319.426 2.251 10 30 DEEERN C#CCCCS(=O)(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000366207675 404773446 /nfs/dbraw/zinc/77/34/46/404773446.db2.gz SDVPMCIQSYXKHT-UHFFFAOYSA-N 0 0 302.399 2.269 10 30 DEEERN C[C@H](C(=O)Nc1c(F)cc(Cl)cc1F)n1cnc(C#N)n1 ZINC000361024821 404883291 /nfs/dbraw/zinc/88/32/91/404883291.db2.gz DXCVXGRQNWRJGS-ZCFIWIBFSA-N 0 0 311.679 2.281 10 30 DEEERN C(#CCN1CCC[C@H]1c1cc[nH]n1)CN1CCC[C@@H]1c1cc[nH]n1 ZINC000367015660 404899043 /nfs/dbraw/zinc/89/90/43/404899043.db2.gz MBMLNTFDCWBMPZ-HDICACEKSA-N 0 0 324.432 2.110 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)NCc1noc(C2CC2)n1 ZINC000353793016 404966428 /nfs/dbraw/zinc/96/64/28/404966428.db2.gz FBSYHLYJGXTXAM-UHFFFAOYSA-N 0 0 316.361 2.480 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000434760285 404933201 /nfs/dbraw/zinc/93/32/01/404933201.db2.gz WNXLATOIHSCLQP-NSHDSACASA-N 0 0 319.430 2.407 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H]1CCO[C@@H](CC(C)C)C1 ZINC000361131309 404936454 /nfs/dbraw/zinc/93/64/54/404936454.db2.gz IQZQLWLMLVNLTN-GJZGRUSLSA-N 0 0 310.438 2.121 10 30 DEEERN CC(=O)N(C)c1cccc(NC(=O)NCC2(C#N)CCC2)c1 ZINC000416876855 404946497 /nfs/dbraw/zinc/94/64/97/404946497.db2.gz SYSUXTQMDHCEMW-UHFFFAOYSA-N 0 0 300.362 2.485 10 30 DEEERN N#Cc1ccnc(NC(=O)c2cn(-c3ccccc3Cl)nn2)c1 ZINC000436015539 405035996 /nfs/dbraw/zinc/03/59/96/405035996.db2.gz WHJYZNWYGZHWGW-UHFFFAOYSA-N 0 0 324.731 2.440 10 30 DEEERN N#Cc1ccc(CN2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)cc1F ZINC000408046668 405096922 /nfs/dbraw/zinc/09/69/22/405096922.db2.gz XSMLUMHAHZGVKL-KBAYOESNSA-N 0 0 318.392 2.449 10 30 DEEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451845730 405062927 /nfs/dbraw/zinc/06/29/27/405062927.db2.gz VIEASAXBBXLSQV-OCCSQVGLSA-N 0 0 317.389 2.207 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)Cc1ccc(-n2cnnc2)cc1 ZINC000424628222 405132766 /nfs/dbraw/zinc/13/27/66/405132766.db2.gz PLHRUXNWDNKSFQ-UHFFFAOYSA-N 0 0 324.306 2.387 10 30 DEEERN C=CCC1(C(=O)N2CCC(n3ccnc3)CC2)CCOCC1 ZINC000424627725 405132794 /nfs/dbraw/zinc/13/27/94/405132794.db2.gz LINOBOLNUUVARX-UHFFFAOYSA-N 0 0 303.406 2.420 10 30 DEEERN C=CCC1(C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)CCOCC1 ZINC000424673795 405146104 /nfs/dbraw/zinc/14/61/04/405146104.db2.gz ZJWGBCXRMXHUJD-CABCVRRESA-N 0 0 322.449 2.123 10 30 DEEERN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[C@@H](C)C3)C2)n1 ZINC000408288415 405162832 /nfs/dbraw/zinc/16/28/32/405162832.db2.gz XVHKMGBLFVRHAN-CZUORRHYSA-N 0 0 312.417 2.347 10 30 DEEERN C=CCC1(C(=O)N2CCC(O)(C(F)(F)F)CC2)CCOCC1 ZINC000424747430 405166208 /nfs/dbraw/zinc/16/62/08/405166208.db2.gz GGHCLGQFDNYSCG-UHFFFAOYSA-N 0 0 321.339 2.275 10 30 DEEERN N#Cc1ccc(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)s1 ZINC000408360008 405184809 /nfs/dbraw/zinc/18/48/09/405184809.db2.gz QWHCNLMXYMHZQI-LLVKDONJSA-N 0 0 304.293 2.149 10 30 DEEERN C=CCC1(C(=O)N2CC[C@H](n3cc(C)cn3)C2)CCOCC1 ZINC000424834418 405191856 /nfs/dbraw/zinc/19/18/56/405191856.db2.gz PYUVJKYCQKNWTI-HNNXBMFYSA-N 0 0 303.406 2.338 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@@H](OCCOC)C2)CCOCC1 ZINC000424837150 405193018 /nfs/dbraw/zinc/19/30/18/405193018.db2.gz XRTCVRYVCILWIQ-OAHLLOKOSA-N 0 0 311.422 2.013 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](C)C[C@H]3C)cc2C1=O ZINC000354403293 405197331 /nfs/dbraw/zinc/19/73/31/405197331.db2.gz OSMBUGTWQZOMNR-NWDGAFQWSA-N 0 0 312.369 2.339 10 30 DEEERN CC(=O)N[C@H]1CCCN(c2cccc(Br)c2C#N)C1 ZINC000408423273 405203421 /nfs/dbraw/zinc/20/34/21/405203421.db2.gz XOGBUSBVXJBRTJ-NSHDSACASA-N 0 0 322.206 2.426 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@@H]2CCOC2(C)C)c(OC)c1 ZINC000452468804 405206624 /nfs/dbraw/zinc/20/66/24/405206624.db2.gz TYVRNVYCGNXWNY-MRXNPFEDSA-N 0 0 319.401 2.486 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Br)o1 ZINC000424901452 405209150 /nfs/dbraw/zinc/20/91/50/405209150.db2.gz GQKPHDQMVZMIGX-IUCAKERBSA-N 0 0 300.152 2.363 10 30 DEEERN C[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[C@H]1O ZINC000408459732 405211309 /nfs/dbraw/zinc/21/13/09/405211309.db2.gz ZEOSBJFBYBDNMC-BXKDBHETSA-N 0 0 323.190 2.164 10 30 DEEERN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000424770628 405172926 /nfs/dbraw/zinc/17/29/26/405172926.db2.gz BVYVRAAFUAIVAM-AWEZNQCLSA-N 0 0 301.390 2.296 10 30 DEEERN Cc1cc(N[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c(C#N)cn1 ZINC000425255447 405264441 /nfs/dbraw/zinc/26/44/41/405264441.db2.gz GCLJGHZOPOTYCG-RHSMWYFYSA-N 0 0 320.396 2.285 10 30 DEEERN Cc1oc(C#N)cc1C(=O)Nc1cc2c(cc1F)nc[nH]c2=O ZINC000439141430 405267711 /nfs/dbraw/zinc/26/77/11/405267711.db2.gz LBPXWFSHFAYNRD-UHFFFAOYSA-N 0 0 312.260 2.500 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(CCCc2nc(C(C)C)no2)C1=O ZINC000419956230 405275222 /nfs/dbraw/zinc/27/52/22/405275222.db2.gz UDGBJSJPLUZZRL-NSHDSACASA-N 0 0 306.366 2.012 10 30 DEEERN C=CC[C@@H](C)NC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000438067459 405229485 /nfs/dbraw/zinc/22/94/85/405229485.db2.gz VNRVOESGLYVTAP-CHWSQXEVSA-N 0 0 324.446 2.121 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)CCCC(C)C ZINC000425869081 405325651 /nfs/dbraw/zinc/32/56/51/405325651.db2.gz UQMCPZFCTBHCCR-ILXRZTDVSA-N 0 0 310.438 2.025 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCCC[C@@H]1C ZINC000425881331 405326213 /nfs/dbraw/zinc/32/62/13/405326213.db2.gz HCDYTPNIWHVGCO-VGWMRTNUSA-N 0 0 322.449 2.026 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[C@@H](C)O1 ZINC000454110224 405298984 /nfs/dbraw/zinc/29/89/84/405298984.db2.gz FCUDDOGTDJFIMP-HIFRSBDPSA-N 0 0 316.401 2.427 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCc1ncccc1C ZINC000425585618 405305309 /nfs/dbraw/zinc/30/53/09/405305309.db2.gz KYLKZNIQRHRMMX-HOCLYGCPSA-N 0 0 303.406 2.213 10 30 DEEERN C=C(CC)CNC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000455527057 405421944 /nfs/dbraw/zinc/42/19/44/405421944.db2.gz UKQNAQVRZGMUID-OAHLLOKOSA-N 0 0 301.390 2.447 10 30 DEEERN Cn1c(C#N)ccc1C(=O)Nc1ccccc1N1CCC(O)CC1 ZINC000448752041 405444013 /nfs/dbraw/zinc/44/40/13/405444013.db2.gz MMNUDPMBUHGSHJ-UHFFFAOYSA-N 0 0 324.384 2.110 10 30 DEEERN C=C(C)Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C(=O)NC)C1 ZINC000421309966 405462748 /nfs/dbraw/zinc/46/27/48/405462748.db2.gz VKLXSVDBDAWSHZ-CYBMUJFWSA-N 0 0 319.453 2.015 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N1CC[C@@]12CCOC2 ZINC000421309355 405462962 /nfs/dbraw/zinc/46/29/62/405462962.db2.gz LOUONGQIRNIADV-SFHVURJKSA-N 0 0 314.385 2.135 10 30 DEEERN C=CCOCCNC(=O)N1CCC(Cc2nccs2)CC1 ZINC000633159781 405474547 /nfs/dbraw/zinc/47/45/47/405474547.db2.gz NPACZLWIIIRSNJ-UHFFFAOYSA-N 0 0 309.435 2.310 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000633233223 405519150 /nfs/dbraw/zinc/51/91/50/405519150.db2.gz XPZRJGOASNTRPU-LBPRGKRZSA-N 0 0 316.467 2.244 10 30 DEEERN C=CCC[C@H](CO)NC(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000458695463 405546829 /nfs/dbraw/zinc/54/68/29/405546829.db2.gz UBSMUVFLWRANAA-OAHLLOKOSA-N 0 0 306.406 2.178 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000456759724 405552946 /nfs/dbraw/zinc/55/29/46/405552946.db2.gz RZVLMYHVEXUTRK-MAZHCROVSA-N 0 0 316.401 2.338 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CC[C@H](CS(C)(=O)=O)C1 ZINC000633411206 405628687 /nfs/dbraw/zinc/62/86/87/405628687.db2.gz KJVZOXRQIPUOGM-ZDUSSCGKSA-N 0 0 316.467 2.055 10 30 DEEERN C=C(C)CN(CC)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000458926202 405656988 /nfs/dbraw/zinc/65/69/88/405656988.db2.gz VTNYKJGOOYIBPA-ZDUSSCGKSA-N 0 0 322.430 2.165 10 30 DEEERN C=CCn1c(-c2ncccc2C)nnc1N(C)C[C@@H]1CCCO1 ZINC000558675598 405686823 /nfs/dbraw/zinc/68/68/23/405686823.db2.gz HXJQWQPLUGOHBU-AWEZNQCLSA-N 0 0 313.405 2.450 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1sc2ncccc2c1N ZINC000636056628 405710358 /nfs/dbraw/zinc/71/03/58/405710358.db2.gz RQIAODQIKPNSJK-ONGXEEELSA-N 0 0 303.387 2.199 10 30 DEEERN CC#CCCCC(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000457119945 405710718 /nfs/dbraw/zinc/71/07/18/405710718.db2.gz CJLJLOPQZUHTJQ-ZDUSSCGKSA-N 0 0 319.430 2.010 10 30 DEEERN C=CCOc1cccc(NC(=O)N(CCO)[C@H]2CCO[C@@H]2C)c1 ZINC000431979494 405704743 /nfs/dbraw/zinc/70/47/43/405704743.db2.gz DTMWBWRCYLSOSY-CJNGLKHVSA-N 0 0 320.389 2.255 10 30 DEEERN C=CCCCCCNC(=O)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000582429147 405729246 /nfs/dbraw/zinc/72/92/46/405729246.db2.gz KNZJENWERAEEJJ-HZPDHXFCSA-N 0 0 309.454 2.237 10 30 DEEERN C=CCOc1ccc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000529670970 405763179 /nfs/dbraw/zinc/76/31/79/405763179.db2.gz LDJJPGCBUGFPGE-SJORKVTESA-N 0 0 321.442 2.403 10 30 DEEERN CN1CCO[C@@H](CNc2ccc(C#N)nc2)[C@@H]1c1ccccc1 ZINC000583617515 405776669 /nfs/dbraw/zinc/77/66/69/405776669.db2.gz KAZHQGVNHYTIIS-ROUUACIJSA-N 0 0 308.385 2.437 10 30 DEEERN C=CCn1cc(C(=O)N2CCC(c3ccc(F)cn3)CC2)nn1 ZINC000636231831 405828313 /nfs/dbraw/zinc/82/83/13/405828313.db2.gz SFTIPKLBMYLZCM-UHFFFAOYSA-N 0 0 315.352 2.018 10 30 DEEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000584132064 405831222 /nfs/dbraw/zinc/83/12/22/405831222.db2.gz OFAUKQAFCXJDNQ-ZSHCYNCHSA-N 0 0 318.421 2.197 10 30 DEEERN C=CCCC(C)(C)CNC(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000633963793 405933536 /nfs/dbraw/zinc/93/35/36/405933536.db2.gz UFVOCAFRDGUVTC-UHFFFAOYSA-N 0 0 323.437 2.206 10 30 DEEERN C=CCCC(C)(C)CNC(=O)CC1(CS(C)(=O)=O)CC1 ZINC000633965041 405933541 /nfs/dbraw/zinc/93/35/41/405933541.db2.gz VXRGEEGWUYZJCG-UHFFFAOYSA-N 0 0 301.452 2.310 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000633965401 405933669 /nfs/dbraw/zinc/93/36/69/405933669.db2.gz RNRNARQQGZSBBN-UHFFFAOYSA-N 0 0 303.362 2.135 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000633967387 405934953 /nfs/dbraw/zinc/93/49/53/405934953.db2.gz MNSNURXZDPMMHP-CYBMUJFWSA-N 0 0 306.410 2.037 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2COc3cc(F)cc(F)c32)C1=O ZINC000630979789 405950193 /nfs/dbraw/zinc/95/01/93/405950193.db2.gz VXPAYKRROWALOO-QWRGUYRKSA-N 0 0 308.284 2.285 10 30 DEEERN CCOC(=O)[C@H]1CN(c2c(Cl)cccc2C#N)CC12COC2 ZINC000450572510 405959395 /nfs/dbraw/zinc/95/93/95/405959395.db2.gz ULFWFUQCFAMXAH-GFCCVEGCSA-N 0 0 320.776 2.228 10 30 DEEERN CN(C)C(=O)c1cccc(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000531149439 405915906 /nfs/dbraw/zinc/91/59/06/405915906.db2.gz XIQBNNWFPJOQBU-UHFFFAOYSA-N 0 0 307.353 2.441 10 30 DEEERN N#Cc1ccnc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000562469943 406015114 /nfs/dbraw/zinc/01/51/14/406015114.db2.gz VTRBGJPXOJROMN-UHFFFAOYSA-N 0 0 321.315 2.459 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000634160910 406030118 /nfs/dbraw/zinc/03/01/18/406030118.db2.gz MIYOUPJDLZCRQW-GFCCVEGCSA-N 0 0 312.316 2.143 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCc3nc(C)ncc3C2)C1 ZINC000636529215 406000877 /nfs/dbraw/zinc/00/08/77/406000877.db2.gz TZZUJDHETWRUMY-HIFRSBDPSA-N 0 0 300.406 2.250 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCC[C@@H]1CCO[C@@H](C)C1 ZINC000636810785 406087975 /nfs/dbraw/zinc/08/79/75/406087975.db2.gz LUWPZYHXLIKEQF-UONOGXRCSA-N 0 0 310.438 2.026 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCC1(C)CCOCC1 ZINC000636666618 406047254 /nfs/dbraw/zinc/04/72/54/406047254.db2.gz KYQOORRTMNHMLM-UHFFFAOYSA-N 0 0 310.438 2.028 10 30 DEEERN C=CC[C@H](CO)CNC(=O)C1(CC(=O)OC(C)(C)C)CCC1 ZINC000563189198 406058487 /nfs/dbraw/zinc/05/84/87/406058487.db2.gz TZIXWKCCTKJLEX-ZDUSSCGKSA-N 0 0 311.422 2.189 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc2oc(=O)[nH]c21 ZINC000563391782 406059769 /nfs/dbraw/zinc/05/97/69/406059769.db2.gz AQZAMIZCIIVILW-QMTHXVAHSA-N 0 0 302.330 2.244 10 30 DEEERN C=C[C@H](Cc1nc(CCS(C)(=O)=O)no1)c1ccccc1 ZINC000632232058 406060589 /nfs/dbraw/zinc/06/05/89/406060589.db2.gz MRQSKEUGIQJPSD-GFCCVEGCSA-N 0 0 306.387 2.169 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1([C@@H]2CCCCO2)CCC1 ZINC000634332895 406102666 /nfs/dbraw/zinc/10/26/66/406102666.db2.gz BFNXLWPZEVGOGG-CVEARBPZSA-N 0 0 322.449 2.313 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000636726312 406063963 /nfs/dbraw/zinc/06/39/63/406063963.db2.gz MZUVAFKDNQXCKM-BPUTZDHNSA-N 0 0 322.449 2.311 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000564772628 406065536 /nfs/dbraw/zinc/06/55/36/406065536.db2.gz YEUWCQIWPOUGTK-TWMKSMIVSA-N 0 0 322.449 2.426 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000460054699 406076068 /nfs/dbraw/zinc/07/60/68/406076068.db2.gz DPBPQNGOUMXZAJ-ZBFHGGJFSA-N 0 0 316.401 2.010 10 30 DEEERN C=CCOc1ccccc1CNC(=O)NCC[C@H](O)C(F)F ZINC000636765328 406076102 /nfs/dbraw/zinc/07/61/02/406076102.db2.gz CDUQCZYKJSNOCI-LBPRGKRZSA-N 0 0 314.332 2.067 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000460054697 406076326 /nfs/dbraw/zinc/07/63/26/406076326.db2.gz DPBPQNGOUMXZAJ-GOEBONIOSA-N 0 0 316.401 2.010 10 30 DEEERN C=CCCCCNC(=O)[C@H](NC(=O)c1ccccn1)C(C)C ZINC000471711851 406110768 /nfs/dbraw/zinc/11/07/68/406110768.db2.gz JDDFFEGVILTJQH-OAHLLOKOSA-N 0 0 303.406 2.309 10 30 DEEERN C=CCCOCCNC(=O)N[C@H]1COc2cccc(C)c2C1 ZINC000636982936 406141343 /nfs/dbraw/zinc/14/13/43/406141343.db2.gz BWJAMRBNADAOMY-CQSZACIVSA-N 0 0 304.390 2.190 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000637000023 406145618 /nfs/dbraw/zinc/14/56/18/406145618.db2.gz QMUQNWGIVFMLTK-HZPDHXFCSA-N 0 0 322.449 2.313 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000637000192 406145711 /nfs/dbraw/zinc/14/57/11/406145711.db2.gz SXMAZDGBPGLUOV-GJZGRUSLSA-N 0 0 322.449 2.169 10 30 DEEERN C=CC[C@H](CC)NC(=O)NC[C@H]1c2ccccc2C(=O)N1C ZINC000637117967 406181259 /nfs/dbraw/zinc/18/12/59/406181259.db2.gz GNGSWTJOEVSFSG-WFASDCNBSA-N 0 0 301.390 2.467 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000637224380 406220292 /nfs/dbraw/zinc/22/02/92/406220292.db2.gz PGSVFOCELRVKEU-OAGGEKHMSA-N 0 0 315.417 2.079 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000632666477 406221105 /nfs/dbraw/zinc/22/11/05/406221105.db2.gz WGDALAXKJUTUIT-KGLIPLIRSA-N 0 0 310.438 2.121 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@H]2CCCc3c2ccc(=O)n3C)C1 ZINC000637256063 406230476 /nfs/dbraw/zinc/23/04/76/406230476.db2.gz OYKKXAASQYDFDF-ZFWWWQNUSA-N 0 0 315.417 2.370 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000637273991 406237890 /nfs/dbraw/zinc/23/78/90/406237890.db2.gz WYDOMUOLSUCLOB-STQMWFEESA-N 0 0 316.467 2.244 10 30 DEEERN Cn1cc([C@H](NC(=O)c2cccc(C#N)c2)C(F)(F)F)cn1 ZINC000487773661 406262195 /nfs/dbraw/zinc/26/21/95/406262195.db2.gz SLFYDXJDJUQGHK-LBPRGKRZSA-N 0 0 308.263 2.325 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCN(CCOC(C)C)CC1 ZINC000637322394 406257545 /nfs/dbraw/zinc/25/75/45/406257545.db2.gz VZYQABPMBBAIQE-UHFFFAOYSA-N 0 0 311.470 2.341 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCC(C)(C)[C@@]1(O)CCCOC1 ZINC000637325714 406259629 /nfs/dbraw/zinc/25/96/29/406259629.db2.gz ZFDQPBYWZCMKSY-QGZVFWFLSA-N 0 0 312.454 2.456 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@H](c1ccccn1)C1CCC1 ZINC000637384271 406290081 /nfs/dbraw/zinc/29/00/81/406290081.db2.gz RCLRNJDURTUJBC-BBRMVZONSA-N 0 0 303.406 2.407 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2cncnc2N2CCCC2)c1 ZINC000546164792 406352184 /nfs/dbraw/zinc/35/21/84/406352184.db2.gz JYSOGEBMANGCJI-UHFFFAOYSA-N 0 0 307.357 2.130 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCc1c(C)[nH]c2ccc(F)cc21 ZINC000637445439 406309299 /nfs/dbraw/zinc/30/92/99/406309299.db2.gz DGGURWUVEJECIT-CYBMUJFWSA-N 0 0 319.380 2.394 10 30 DEEERN C=CCn1c([C@@H]2CCCS2)nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC000635029492 406406872 /nfs/dbraw/zinc/40/68/72/406406872.db2.gz JVDKOPGUUNGJER-XQQFMLRXSA-N 0 0 306.435 2.115 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@H]1c1ccccn1 ZINC000570779213 406437244 /nfs/dbraw/zinc/43/72/44/406437244.db2.gz UPCWTFLBPNCNIK-HNNXBMFYSA-N 0 0 301.390 2.170 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c(C)nn(CC(F)F)c1C ZINC000573110936 406769160 /nfs/dbraw/zinc/76/91/60/406769160.db2.gz IUKUSVHGNPWTOU-RYUDHWBXSA-N 0 0 313.348 2.086 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000573167446 406770051 /nfs/dbraw/zinc/77/00/51/406770051.db2.gz IARPRXFTDHMMSA-GFCCVEGCSA-N 0 0 303.366 2.071 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1ccccc1F)[C@@H](C)O ZINC000574330142 406781697 /nfs/dbraw/zinc/78/16/97/406781697.db2.gz MNGVWWKMHXFMKE-GUYJKWIASA-N 0 0 322.380 2.138 10 30 DEEERN CC1(C)C(c2cccs2)=[N+]([O-])[C@@]2(CCCCCC2=O)N1O ZINC000575332771 406807341 /nfs/dbraw/zinc/80/73/41/406807341.db2.gz ZYLAKZISXFGEJC-HVCHUGMYSA-N 0 0 309.411 2.057 10 30 DEEERN CCOC(=O)Cc1c(C#N)ccc(OC(F)(F)F)c1C=O ZINC000575391184 406808686 /nfs/dbraw/zinc/80/86/86/406808686.db2.gz OEZCKUHWIYGLQU-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN COC(=O)Cc1c(C#N)ccc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575395399 406808791 /nfs/dbraw/zinc/80/87/91/406808791.db2.gz BGJKVSWEYHPJSI-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN C=CCCCCCNC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000575932349 406827445 /nfs/dbraw/zinc/82/74/45/406827445.db2.gz IVVFOBZAGLSCFZ-KKUMJFAQSA-N 0 0 320.433 2.413 10 30 DEEERN C[C@@H](NC(=O)N1CCC(C#N)CC1)c1nnc2n1CCCCC2 ZINC000356360729 286949429 /nfs/dbraw/zinc/94/94/29/286949429.db2.gz GYOKTKABJCVZTE-GFCCVEGCSA-N 0 0 316.409 2.011 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)c1ccc(C#CCO)c(Cl)c1 ZINC000128793297 195992700 /nfs/dbraw/zinc/99/27/00/195992700.db2.gz XJWZEXKBXSCHSQ-LBPRGKRZSA-N 0 0 304.777 2.306 10 30 DEEERN CC(C)S(=O)(=O)Nc1cc(Cl)ccc1C#CCCO ZINC000131995009 196217312 /nfs/dbraw/zinc/21/73/12/196217312.db2.gz PVQYMXXMKPRHMA-UHFFFAOYSA-N 0 0 301.795 2.224 10 30 DEEERN C=CC[C@H](C)NC(=O)C(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000132000292 196218121 /nfs/dbraw/zinc/21/81/21/196218121.db2.gz BUZQULVQOSTTMN-LBPRGKRZSA-N 0 0 312.373 2.200 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc2ccccn2n1 ZINC000132915899 196295962 /nfs/dbraw/zinc/29/59/62/196295962.db2.gz XQRJGHPYMDBGPI-LLVKDONJSA-N 0 0 307.313 2.007 10 30 DEEERN C#CCC[C@H](NN)c1ccc(I)cc1 ZINC000133755030 196333816 /nfs/dbraw/zinc/33/38/16/196333816.db2.gz XNNFRNMVRSTDKB-NSHDSACASA-N 0 0 300.143 2.209 10 30 DEEERN N#Cc1ncn(-c2cc(F)c(Br)cc2N)c1C#N ZINC000134114528 196362808 /nfs/dbraw/zinc/36/28/08/196362808.db2.gz DQMOZTILOBYGFP-UHFFFAOYSA-N 0 0 306.098 2.099 10 30 DEEERN N#Cc1ncn(Cc2c(N)cccc2Br)c1C#N ZINC000134118240 196363862 /nfs/dbraw/zinc/36/38/62/196363862.db2.gz AFAJDTZHGUDMCN-UHFFFAOYSA-N 0 0 302.135 2.019 10 30 DEEERN C[C@H]1CN(C(=O)CSCC#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000152267012 224663507 /nfs/dbraw/zinc/66/35/07/224663507.db2.gz UUDFGSJGHIXNHP-FZMZJTMJSA-N 0 0 308.378 2.371 10 30 DEEERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc(SCC#N)c1 ZINC000176041956 224808824 /nfs/dbraw/zinc/80/88/24/224808824.db2.gz DYZVMJHUGGMVHB-DGCLKSJQSA-N 0 0 317.414 2.028 10 30 DEEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)CC1(C#N)CC1 ZINC000183874513 224929836 /nfs/dbraw/zinc/92/98/36/224929836.db2.gz IMPXGPBPHWJLLG-UKRRQHHQSA-N 0 0 320.414 2.082 10 30 DEEERN N#Cc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1O ZINC000188682524 225030246 /nfs/dbraw/zinc/03/02/46/225030246.db2.gz WIYCTGNRQCAEQB-PBHICJAKSA-N 0 0 300.358 2.031 10 30 DEEERN Cc1cnc(CCN(C)C(=O)c2ccc(C#N)c(O)c2)s1 ZINC000188727049 225032515 /nfs/dbraw/zinc/03/25/15/225032515.db2.gz KZYSTVPGQVMQLW-UHFFFAOYSA-N 0 0 301.371 2.344 10 30 DEEERN N#C[C@H]1CN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CCO1 ZINC000194581617 225183363 /nfs/dbraw/zinc/18/33/63/225183363.db2.gz JPEGIZFYKZHMAB-NSHDSACASA-N 0 0 316.691 2.219 10 30 DEEERN C[C@H](CNC(=O)c1ncoc1[C@H]1CCCO1)N1CCCCC1=O ZINC000328750658 225794216 /nfs/dbraw/zinc/79/42/16/225794216.db2.gz MUTDFBQHGRGCIM-VXGBXAGGSA-N 0 0 321.377 2.232 10 30 DEEERN Cn1cc(NC(=O)N2CCOCC3(CCC3)C2)c(C2CC2)n1 ZINC000329796836 225929399 /nfs/dbraw/zinc/92/93/99/225929399.db2.gz HDLGISBNLLHLCD-UHFFFAOYSA-N 0 0 304.394 2.346 10 30 DEEERN C[C@H](CNC(=O)N1CC(O)(C2CC2)C1)Oc1ccc(Cl)cc1 ZINC000329269269 225856386 /nfs/dbraw/zinc/85/63/86/225856386.db2.gz GWEKNKSCMVIZRN-LLVKDONJSA-N 0 0 324.808 2.478 10 30 DEEERN CO[C@@H]1CN(C(=O)NCc2ccc(C3CC3)cc2)C[C@@H]1OC ZINC000330176221 225975308 /nfs/dbraw/zinc/97/53/08/225975308.db2.gz JSWJNMCFTTXUAY-IYBDPMFKSA-N 0 0 304.390 2.324 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cnc2ccccc2c1 ZINC000333184497 226102380 /nfs/dbraw/zinc/10/23/80/226102380.db2.gz NPTORYQMGDHYIY-WFASDCNBSA-N 0 0 301.371 2.205 10 30 DEEERN Cc1ccc([C@@H]2CCCN2S(=O)(=O)N(C)C[C@@H](C)C#N)o1 ZINC000372586092 227094265 /nfs/dbraw/zinc/09/42/65/227094265.db2.gz OPXRYHRZAOQNPH-AAEUAGOBSA-N 0 0 311.407 2.061 10 30 DEEERN Cc1[nH]c2ccccc2c1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000377667211 227194831 /nfs/dbraw/zinc/19/48/31/227194831.db2.gz FNPZYECDKPVNOY-AWEZNQCLSA-N 0 0 308.385 2.289 10 30 DEEERN C[C@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C1CCCCC1 ZINC000377881324 227203190 /nfs/dbraw/zinc/20/31/90/227203190.db2.gz WFBZVQSRIYBFIN-XJKSGUPXSA-N 0 0 304.438 2.337 10 30 DEEERN C[C@H](C(=O)NC1(C#N)CCC(C(C)(C)C)CC1)N1CCOCC1 ZINC000408280392 227230502 /nfs/dbraw/zinc/23/05/02/227230502.db2.gz OYXCSZNQEMCICR-KSTDHSDQSA-N 0 0 321.465 2.322 10 30 DEEERN N#Cc1nccnc1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000301633675 229787962 /nfs/dbraw/zinc/78/79/62/229787962.db2.gz VGBJVULOTXFXCO-JTQLQIEISA-N 0 0 300.753 2.087 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCCNc2ccc(C)cn2)C1=O ZINC000630972103 422450955 /nfs/dbraw/zinc/45/09/55/422450955.db2.gz WCPVFHQOWPKGJN-ZDUSSCGKSA-N 0 0 302.378 2.079 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C2CC2)n(CC)n1 ZINC000612038742 422480705 /nfs/dbraw/zinc/48/07/05/422480705.db2.gz DEOIAEOUDRBASE-ZDUSSCGKSA-N 0 0 304.394 2.190 10 30 DEEERN C[C@H](C(=O)Nc1cc(C2CCCCC2)[nH]n1)n1cnc(C#N)n1 ZINC000619613963 422530473 /nfs/dbraw/zinc/53/04/73/422530473.db2.gz AEHAPXOGCMUPKN-SNVBAGLBSA-N 0 0 313.365 2.120 10 30 DEEERN C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCOC(C)(C)[C@H]1C ZINC000519248565 424825107 /nfs/dbraw/zinc/82/51/07/424825107.db2.gz LWRWFAVTVKZYEU-KGLIPLIRSA-N 0 0 320.437 2.362 10 30 DEEERN C=CCOc1ccccc1CNc1nccn(C(F)F)c1=O ZINC000360903672 424840470 /nfs/dbraw/zinc/84/04/70/424840470.db2.gz IYFSIKDPDYBHJA-UHFFFAOYSA-N 0 0 307.300 2.815 10 30 DEEERN C=CCSc1ccccc1C(=O)Nc1cc(OC)n(C)n1 ZINC000548254329 424870219 /nfs/dbraw/zinc/87/02/19/424870219.db2.gz CVXAOKCLMIQIEY-UHFFFAOYSA-N 0 0 303.387 2.959 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCc1cccc2c1OCO2 ZINC000194599045 424877425 /nfs/dbraw/zinc/87/74/25/424877425.db2.gz KLJRLMDGNHYTKT-GFCCVEGCSA-N 0 0 324.336 2.371 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(-c2ccoc2C)on1 ZINC000425682328 424999574 /nfs/dbraw/zinc/99/95/74/424999574.db2.gz LHSHLWVKNJIFOC-AAEUAGOBSA-N 0 0 317.345 2.956 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434954404 425026933 /nfs/dbraw/zinc/02/69/33/425026933.db2.gz IAOXUMNRBGZMSN-UHFFFAOYSA-N 0 0 319.405 2.869 10 30 DEEERN C=CCCSCCNC(=O)Nc1ccc(OC(C)C)nn1 ZINC000596854625 425029435 /nfs/dbraw/zinc/02/94/35/425029435.db2.gz MAVNWSHNTMJKPF-UHFFFAOYSA-N 0 0 310.423 2.695 10 30 DEEERN C=CCn1c(Nc2ccn(C)n2)nnc1[C@H]1Cc2ccccc2O1 ZINC000350741241 425032347 /nfs/dbraw/zinc/03/23/47/425032347.db2.gz MDLSBWPPSYICFI-CQSZACIVSA-N 0 0 322.372 2.617 10 30 DEEERN C=CCSCCNC(=O)N1CC(OC)(c2ccccc2)C1 ZINC000352232622 425044420 /nfs/dbraw/zinc/04/44/20/425044420.db2.gz UIVPZDRUFOTLPU-UHFFFAOYSA-N 0 0 306.431 2.473 10 30 DEEERN C=CCC[C@H](CO)NC(=O)Nc1cc(C)n([C@H](C)C2CC2)n1 ZINC000455130516 425094808 /nfs/dbraw/zinc/09/48/08/425094808.db2.gz CAUADDQUAMWPNX-TZMCWYRMSA-N 0 0 306.410 2.611 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000455317041 425097036 /nfs/dbraw/zinc/09/70/36/425097036.db2.gz PHGDXHANZMXXSO-LBPRGKRZSA-N 0 0 307.394 2.955 10 30 DEEERN Cc1cc(NC(=O)Cc2cccc(C#N)c2)ccc1-n1cnnn1 ZINC000530910105 268006914 /nfs/dbraw/zinc/00/69/14/268006914.db2.gz WKSDOEXPNATHSR-UHFFFAOYSA-N 0 0 318.340 2.024 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCCN1CC(F)(F)F ZINC000360580779 276870879 /nfs/dbraw/zinc/87/08/79/276870879.db2.gz JDYSMUDKGISLEH-AGIUHOORSA-N 0 0 320.355 2.111 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1[C@@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000330405649 277782976 /nfs/dbraw/zinc/78/29/76/277782976.db2.gz YANDNMYJSMGYHL-VYDRJRHOSA-N 0 0 309.406 2.299 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)C2(C(F)(F)F)CCCC2)C1=O ZINC000415627250 277859388 /nfs/dbraw/zinc/85/93/88/277859388.db2.gz RZKQDXFJSUDMLG-NSHDSACASA-N 0 0 318.339 2.354 10 30 DEEERN C=C[C@](C)(CC)C(=O)N1CCS(=O)(=O)C(CC)(CC)C1 ZINC000442806349 277914973 /nfs/dbraw/zinc/91/49/73/277914973.db2.gz BIPJWOBVTXVPBT-CQSZACIVSA-N 0 0 301.452 2.405 10 30 DEEERN COc1ccc2c(c1)N(C(=O)c1ccnc(C#N)c1)C[C@H](C)O2 ZINC000193368863 277969544 /nfs/dbraw/zinc/96/95/44/277969544.db2.gz OVUKDPSBOGUGQW-NSHDSACASA-N 0 0 309.325 2.390 10 30 DEEERN Cc1cccc2[nH]cc(CC(=O)N3CCN(C4CC4)[C@H](C#N)C3)c21 ZINC000370984911 278932814 /nfs/dbraw/zinc/93/28/14/278932814.db2.gz KCUHNIOFSBAWRC-MRXNPFEDSA-N 0 0 322.412 2.218 10 30 DEEERN N#Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)ccn1 ZINC000225423205 279501188 /nfs/dbraw/zinc/50/11/88/279501188.db2.gz OSMVCALEBGDHDA-HZPDHXFCSA-N 0 0 311.316 2.040 10 30 DEEERN Cc1cc(C)c2ncc(C#N)c(N3CC(=O)N(C)[C@H](C)C3)c2c1 ZINC000283608822 280411022 /nfs/dbraw/zinc/41/10/22/280411022.db2.gz UGFHKTIFADGYLC-CYBMUJFWSA-N 0 0 308.385 2.390 10 30 DEEERN N#CC1(c2ccc(C(=O)N3CCC[C@]34CCOC4=O)cc2)CC1 ZINC000186477150 294797124 /nfs/dbraw/zinc/79/71/24/294797124.db2.gz UDWZGIXDHAXYAL-GOSISDBHSA-N 0 0 310.353 2.163 10 30 DEEERN N#CC1(NC(=O)c2ncsc2Br)CCCC1 ZINC000288026815 294797240 /nfs/dbraw/zinc/79/72/40/294797240.db2.gz AFGRZTALKFJCQX-UHFFFAOYSA-N 0 0 300.181 2.472 10 30 DEEERN N#C[C@@H]1CN(c2nnc(C3CC3)o2)C[C@@]12C(=O)Nc1ccccc12 ZINC000329380146 294830090 /nfs/dbraw/zinc/83/00/90/294830090.db2.gz NFOIDMCECXHCLY-PIGZYNQJSA-N 0 0 321.340 2.446 10 30 DEEERN O=C(NCCC1CCOCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330087578 295377738 /nfs/dbraw/zinc/37/77/38/295377738.db2.gz TYLNNOPBFLGYDF-NVXWUHKLSA-N 0 0 310.438 2.344 10 30 DEEERN C=CCCCN(C)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531055232 332234237 /nfs/dbraw/zinc/23/42/37/332234237.db2.gz VSLFWNCSUVDJCF-SFHVURJKSA-N 0 0 302.418 2.048 10 30 DEEERN C=CCn1c(N2CCOC(C)(C)C2)nnc1[C@@]1(C)CCCO1 ZINC000560353141 332333570 /nfs/dbraw/zinc/33/35/70/332333570.db2.gz SGZMZFCRROHYTJ-MRXNPFEDSA-N 0 0 306.410 2.105 10 30 DEEERN C[C@@H](C#N)CNC(=O)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000181984641 333147987 /nfs/dbraw/zinc/14/79/87/333147987.db2.gz CQAZWAZLBOUUDM-BLLLJJGKSA-N 0 0 309.410 2.442 10 30 DEEERN C=CCN(C)c1nnc(CC(F)(F)F)n1C[C@H]1CCCO1 ZINC000582062682 333195975 /nfs/dbraw/zinc/19/59/75/333195975.db2.gz VMVNJKHVTUEFJU-SNVBAGLBSA-N 0 0 304.316 2.184 10 30 DEEERN C=CCC[C@@H]1NC(=O)N([C@@H]2CCc3cnn(C(C)C)c3C2)C1=O ZINC000582112433 333273134 /nfs/dbraw/zinc/27/31/34/333273134.db2.gz MZWFWCDZGPNELQ-KGLIPLIRSA-N 0 0 316.405 2.208 10 30 DEEERN N#C[C@H]1CN(C(=O)Nc2ccc(F)c(F)c2)CCN1C1CC1 ZINC000365238405 333399497 /nfs/dbraw/zinc/39/94/97/333399497.db2.gz HQHAQHMZZLYAKC-LBPRGKRZSA-N 0 0 306.316 2.169 10 30 DEEERN C=CCCC[N@@H+](C)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000121083734 334341288 /nfs/dbraw/zinc/34/12/88/334341288.db2.gz DXRRVQJJFXEJOX-CYBMUJFWSA-N 0 0 301.390 2.258 10 30 DEEERN C=CCCCNC(=O)C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000345803764 335352311 /nfs/dbraw/zinc/35/23/11/335352311.db2.gz KYJCBDDFGASUTN-LLVKDONJSA-N 0 0 310.344 2.267 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CCc2cc(N)ccc21 ZINC000583642783 336014546 /nfs/dbraw/zinc/01/45/46/336014546.db2.gz VSYXQTBMSYSWPO-XHSDSOJGSA-N 0 0 301.390 2.289 10 30 DEEERN C=C(C)Cn1c(CCc2ccco2)nnc1N(C)[C@@H]1CCOC1 ZINC000359120156 336658841 /nfs/dbraw/zinc/65/88/41/336658841.db2.gz ZWBNTPDHLVCHCD-CQSZACIVSA-N 0 0 316.405 2.458 10 30 DEEERN C=C[C@H](C)NC(=O)[C@H](NC(=O)NCc1ccc(F)cc1)C(C)C ZINC000362616505 336806583 /nfs/dbraw/zinc/80/65/83/336806583.db2.gz WZOAJIMYQBTGHZ-SWLSCSKDSA-N 0 0 321.396 2.340 10 30 DEEERN CCC(CC)n1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n1 ZINC000378190618 337068022 /nfs/dbraw/zinc/06/80/22/337068022.db2.gz OXMMIHXEYDSLKK-HNNXBMFYSA-N 0 0 315.421 2.057 10 30 DEEERN C=CCOc1cccc(NC(=O)N2CCO[C@@]3(CCOC3)C2)c1 ZINC000185392847 337204642 /nfs/dbraw/zinc/20/46/42/337204642.db2.gz GANYCPZLMYFDRT-KRWDZBQOSA-N 0 0 318.373 2.275 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2ccc(O)cc2C1 ZINC000583200613 337267413 /nfs/dbraw/zinc/26/74/13/337267413.db2.gz NRIRZGUWSVVUBK-BBRMVZONSA-N 0 0 302.374 2.051 10 30 DEEERN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(C)(C)C)cc1 ZINC000583328822 337316834 /nfs/dbraw/zinc/31/68/34/337316834.db2.gz FZQMUXFJOQZPHG-GFCCVEGCSA-N 0 0 324.446 2.315 10 30 DEEERN N#CCNC(=O)c1cccc(-c2ccc(C(N)=O)c3[nH]ccc32)c1 ZINC000584619692 337370713 /nfs/dbraw/zinc/37/07/13/337370713.db2.gz YWILRCCCIHSUIF-UHFFFAOYSA-N 0 0 318.336 2.187 10 30 DEEERN C=CCC[C@H]1NC(=O)N([C@H]2COc3ccc(F)cc3C2)C1=O ZINC000571777916 337576495 /nfs/dbraw/zinc/57/64/95/337576495.db2.gz GTZLGNYDIXTCLR-CHWSQXEVSA-N 0 0 304.321 2.016 10 30 DEEERN C=CCOCCCC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000161369512 337582707 /nfs/dbraw/zinc/58/27/07/337582707.db2.gz VLUCUXLMDJNWTJ-UHFFFAOYSA-N 0 0 304.346 2.462 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000516547433 338015193 /nfs/dbraw/zinc/01/51/93/338015193.db2.gz MPOLJIMFVXHSCP-CABCVRRESA-N 0 0 304.390 2.194 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCCC[C@@H]1CC ZINC000430412671 338106683 /nfs/dbraw/zinc/10/66/83/338106683.db2.gz IEJKQJBPCXUIIG-JYJNAYRXSA-N 0 0 322.449 2.265 10 30 DEEERN C=CCSc1ccccc1C(=O)NCC[C@@](C)(O)COC ZINC000452346776 338764393 /nfs/dbraw/zinc/76/43/93/338764393.db2.gz RUHKEZUVYLPEHH-MRXNPFEDSA-N 0 0 309.431 2.482 10 30 DEEERN COCCOCc1cc(C(=O)N[C@H](C#N)C2CC2)ccc1F ZINC000173630172 340369344 /nfs/dbraw/zinc/36/93/44/340369344.db2.gz AGHYMBRHUXDBLW-OAHLLOKOSA-N 0 0 306.337 2.021 10 30 DEEERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N[C@@H](C#N)C2CC2)C1 ZINC000174708479 340394958 /nfs/dbraw/zinc/39/49/58/340394958.db2.gz YQDIGGFQALMWKW-XQQFMLRXSA-N 0 0 307.394 2.098 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCC[C@@H]1c1ccc(=O)[nH]n1)OCC ZINC000530081536 340778951 /nfs/dbraw/zinc/77/89/51/340778951.db2.gz ZBWVGSLDYSJAIT-KGLIPLIRSA-N 0 0 305.378 2.217 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1nccnc1Sc1ccccc1 ZINC000546697822 341179262 /nfs/dbraw/zinc/17/92/62/341179262.db2.gz KQVRQYOZSUWTNV-GFCCVEGCSA-N 0 0 315.398 2.295 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000547764057 341231066 /nfs/dbraw/zinc/23/10/66/341231066.db2.gz QUOHFMUPTWRREZ-CXAGYDPISA-N 0 0 303.358 2.406 10 30 DEEERN CC#CCNC(=O)N[C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000135718289 341244769 /nfs/dbraw/zinc/24/47/69/341244769.db2.gz NBWZVVGUSZIIBN-JTQLQIEISA-N 0 0 309.391 2.012 10 30 DEEERN CC#CCCNC(=O)N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000548190406 341252435 /nfs/dbraw/zinc/25/24/35/341252435.db2.gz UXFFPHAXYHGPAP-AWEZNQCLSA-N 0 0 305.378 2.005 10 30 DEEERN C=CCn1c(C)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000548959718 341282360 /nfs/dbraw/zinc/28/23/60/341282360.db2.gz MNKHIWPDHXHPDT-CQSZACIVSA-N 0 0 317.393 2.173 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)N1Cc2ccccc2NC(=O)C1 ZINC000565174007 341519374 /nfs/dbraw/zinc/51/93/74/341519374.db2.gz SSHXRUWLNCZAGO-AWEZNQCLSA-N 0 0 313.401 2.030 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000567892304 341639053 /nfs/dbraw/zinc/63/90/53/341639053.db2.gz PGURYVCVLIMCMD-ZFWWWQNUSA-N 0 0 317.389 2.101 10 30 DEEERN C=CCn1c(N2CCO[C@@H](C3CC3)C2)nnc1[C@]1(C)CCCO1 ZINC000568190378 341657622 /nfs/dbraw/zinc/65/76/22/341657622.db2.gz FSQDJRQZWDSMGA-PBHICJAKSA-N 0 0 318.421 2.105 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1c(F)cncc1F ZINC000576509806 341849872 /nfs/dbraw/zinc/84/98/72/341849872.db2.gz FSEPUIFWUQMRPR-KWBADKCTSA-N 0 0 311.332 2.311 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccn(Cc2ccccc2)n1 ZINC000577056054 341881871 /nfs/dbraw/zinc/88/18/71/341881871.db2.gz WIOLRCDLHZNTDB-SJORKVTESA-N 0 0 311.385 2.139 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@H]2c3ccccc3C[C@@H]2C)C1=O ZINC000348612226 341953861 /nfs/dbraw/zinc/95/38/61/341953861.db2.gz PFTXLLZXKHYJIY-TUKIKUTGSA-N 0 0 300.358 2.043 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@@H]2C[C@@H](C)O[C@@H]2C)c(OC)c1 ZINC000634015866 500580458 /nfs/dbraw/zinc/58/04/58/500580458.db2.gz RDNXWKNDOLZZHO-UMVBOHGHSA-N 0 0 319.401 2.485 10 30 DEEERN Cc1c(S(=O)(=O)N[C@@H]2CCC[C@H]2C#N)c2ccccc2n1C ZINC000408016581 533933861 /nfs/dbraw/zinc/93/38/61/533933861.db2.gz INPNRJFKRXRRQB-GXTWGEPZSA-N 0 0 317.414 2.457 10 30 DEEERN COc1ccc(F)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000371415561 533952654 /nfs/dbraw/zinc/95/26/54/533952654.db2.gz DJTGUSVNKYHULL-CYBMUJFWSA-N 0 0 318.352 2.038 10 30 DEEERN C[C@@H]1CCN(S(=O)(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000408136638 534049416 /nfs/dbraw/zinc/04/94/16/534049416.db2.gz GIKFYXDUCHNYRD-GFCCVEGCSA-N 0 0 307.419 2.486 10 30 DEEERN Cc1ccc(N2CCN(C(=O)C3CCCCC3)CC2)nc1C#N ZINC000302621234 534165018 /nfs/dbraw/zinc/16/50/18/534165018.db2.gz HAIDNGPLYQWTAJ-UHFFFAOYSA-N 0 0 312.417 2.491 10 30 DEEERN C[C@@H](Cc1cccc(F)c1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000370991629 534241601 /nfs/dbraw/zinc/24/16/01/534241601.db2.gz LFJYVMPYKFVVEY-GUYCJALGSA-N 0 0 315.392 2.203 10 30 DEEERN Cc1ccc(C(=O)NCC(=O)N(CCC#N)CC2CC2)cc1C ZINC000088407436 534264084 /nfs/dbraw/zinc/26/40/84/534264084.db2.gz GCZXLTNSYCNNCA-UHFFFAOYSA-N 0 0 313.401 2.186 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cn(CC(C)C)nc1C(F)F ZINC000450849950 534316070 /nfs/dbraw/zinc/31/60/70/534316070.db2.gz XSWJINQSCONZRR-JTQLQIEISA-N 0 0 301.337 2.144 10 30 DEEERN O=C(Nc1nnc(C2CCOCC2)s1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000329359213 534334668 /nfs/dbraw/zinc/33/46/68/534334668.db2.gz BRUHQUCVQQUOKG-AXFHLTTASA-N 0 0 309.391 2.445 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N(C)C[C@H](C)CC ZINC000453428314 534425776 /nfs/dbraw/zinc/42/57/76/534425776.db2.gz PVJJNMPCHNSXGN-LLVKDONJSA-N 0 0 303.414 2.050 10 30 DEEERN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000372760869 534483749 /nfs/dbraw/zinc/48/37/49/534483749.db2.gz LFSJMGOADJKVNJ-RBSFLKMASA-N 0 0 315.442 2.359 10 30 DEEERN C=CCC(C)(C)C(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000457128046 534536415 /nfs/dbraw/zinc/53/64/15/534536415.db2.gz KUHWXQOQQRYGQX-LBPRGKRZSA-N 0 0 321.446 2.418 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1ccc(C)c(CC)c1 ZINC000453935847 534563483 /nfs/dbraw/zinc/56/34/83/534563483.db2.gz CHGCHBDXHDGOJA-CVEARBPZSA-N 0 0 316.401 2.346 10 30 DEEERN N#CCCCCNC(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC000170902813 534596048 /nfs/dbraw/zinc/59/60/48/534596048.db2.gz SGCBLFQYXXNEBA-UHFFFAOYSA-N 0 0 323.393 2.307 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000453960646 534596297 /nfs/dbraw/zinc/59/62/97/534596297.db2.gz YXRWGGOWBUKAPE-OLZOCXBDSA-N 0 0 324.327 2.197 10 30 DEEERN C=CCOCCCC(=O)N1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000456653000 534872225 /nfs/dbraw/zinc/87/22/25/534872225.db2.gz MQZRMXBAJVQDPK-ZDUSSCGKSA-N 0 0 322.371 2.312 10 30 DEEERN CC#CCCCC(=O)N[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000376947180 526300825 /nfs/dbraw/zinc/30/08/25/526300825.db2.gz GRZDNUKIFANNCJ-CQSZACIVSA-N 0 0 314.385 2.110 10 30 DEEERN CC#CCN(C)C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000297586819 526349240 /nfs/dbraw/zinc/34/92/40/526349240.db2.gz IEHYKIXLCRHNCF-OAHLLOKOSA-N 0 0 315.417 2.186 10 30 DEEERN C=CCN(Cc1nc(N(C)C)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000192702967 526383343 /nfs/dbraw/zinc/38/33/43/526383343.db2.gz QQAAGHCMIRRQBT-UHFFFAOYSA-N 0 0 317.349 2.232 10 30 DEEERN C=C(C)C(C)(C)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000424626801 526436180 /nfs/dbraw/zinc/43/61/80/526436180.db2.gz MQPTXFVPRXHFEZ-UHFFFAOYSA-N 0 0 318.421 2.483 10 30 DEEERN C=C(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000411037874 526454938 /nfs/dbraw/zinc/45/49/38/526454938.db2.gz SWYBUTJUYBTAJD-AWEZNQCLSA-N 0 0 304.415 2.284 10 30 DEEERN C=CCN1CC[C@@H](N(C)[C@@H](C)c2nc(C(C)(C)C)no2)C1=O ZINC000337232804 526473153 /nfs/dbraw/zinc/47/31/53/526473153.db2.gz VVFDBJTVFOIOMD-NWDGAFQWSA-N 0 0 306.410 2.147 10 30 DEEERN C=CCN1CC[C@@H](N[C@H](c2nccs2)C(F)(F)F)C1=O ZINC000292942933 526485818 /nfs/dbraw/zinc/48/58/18/526485818.db2.gz JZOLZNAGOLELPK-RKDXNWHRSA-N 0 0 305.325 2.123 10 30 DEEERN C=C(C)CN(C)C(=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000351529217 526497992 /nfs/dbraw/zinc/49/79/92/526497992.db2.gz IOTOALQPQXSDQW-CQSZACIVSA-N 0 0 304.415 2.236 10 30 DEEERN C=C(C)CN(C)c1nnc(-c2cccn2C)n1C[C@@H]1CCCO1 ZINC000339001200 526508362 /nfs/dbraw/zinc/50/83/62/526508362.db2.gz OAMWOTSETRTEPN-AWEZNQCLSA-N 0 0 315.421 2.475 10 30 DEEERN C=C(C)CN(CC)C(=O)C[S@@](=O)Cc1cccc(OCC)n1 ZINC000342253775 526529200 /nfs/dbraw/zinc/52/92/00/526529200.db2.gz LIARUMNUTXIETJ-QFIPXVFZSA-N 0 0 324.446 2.154 10 30 DEEERN C=CCNC(=O)CNC(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000373191633 526549673 /nfs/dbraw/zinc/54/96/73/526549673.db2.gz PRJXRAVLOLILBG-MRXNPFEDSA-N 0 0 315.417 2.452 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000346716262 526555446 /nfs/dbraw/zinc/55/54/46/526555446.db2.gz ORCIRBBRLNGEJC-IHWZXDPASA-N 0 0 319.449 2.193 10 30 DEEERN C=CCNC(=O)C[S@](=O)Cc1csc(Br)c1 ZINC000285099011 526577422 /nfs/dbraw/zinc/57/74/22/526577422.db2.gz MCLMNLWIJHOVEY-MRXNPFEDSA-N 0 0 322.249 2.062 10 30 DEEERN CC(=O)N1CCC[C@H](CNC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000331053584 526585505 /nfs/dbraw/zinc/58/55/05/526585505.db2.gz JPYXFTBNXQNPES-OAHLLOKOSA-N 0 0 321.396 2.430 10 30 DEEERN C=C(C)COCCNC(=O)Nc1cc(C)nn1C1CCOCC1 ZINC000434137393 526646382 /nfs/dbraw/zinc/64/63/82/526646382.db2.gz LDRNYMWGNVJYAB-UHFFFAOYSA-N 0 0 322.409 2.257 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000191700309 526660685 /nfs/dbraw/zinc/66/06/85/526660685.db2.gz QEIYCDOMXKRWGV-CHWSQXEVSA-N 0 0 302.374 2.356 10 30 DEEERN C#CCC(C)(C)C(=O)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000183727800 526664762 /nfs/dbraw/zinc/66/47/62/526664762.db2.gz ZTRKCXBPMIGSNB-ZDUSSCGKSA-N 0 0 300.406 2.369 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(OC(C)C)c(C(N)=O)c1 ZINC000294808712 526674999 /nfs/dbraw/zinc/67/49/99/526674999.db2.gz DVMNYHJLLMVEDB-UHFFFAOYSA-N 0 0 312.369 2.174 10 30 DEEERN C=C(C)CS(=O)(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000189737512 526684057 /nfs/dbraw/zinc/68/40/57/526684057.db2.gz QDDUZLFQTIQHRQ-UHFFFAOYSA-N 0 0 305.403 2.176 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC000372012145 526700619 /nfs/dbraw/zinc/70/06/19/526700619.db2.gz VWLSBZQMODCVBD-UKRRQHHQSA-N 0 0 301.390 2.015 10 30 DEEERN C#CCCNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000369299601 526733138 /nfs/dbraw/zinc/73/31/38/526733138.db2.gz RULMBCVLVCGERR-UHFFFAOYSA-N 0 0 324.833 2.393 10 30 DEEERN C#CCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC(C)C ZINC000369300574 526736283 /nfs/dbraw/zinc/73/62/83/526736283.db2.gz YCWIJFGJZZMJCR-KRWDZBQOSA-N 0 0 312.413 2.126 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC[C@@H](C)C1 ZINC000283491926 526740082 /nfs/dbraw/zinc/74/00/82/526740082.db2.gz CZBXMZCRASHNKR-ZIAGYGMSSA-N 0 0 306.410 2.178 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CC=C(C)CC1 ZINC000292886354 526740119 /nfs/dbraw/zinc/74/01/19/526740119.db2.gz ICSZWKYDDPGUDE-CQSZACIVSA-N 0 0 304.394 2.099 10 30 DEEERN C=CCOCCNC(=O)N[C@@H]1CCCc2cnn(C(C)C)c21 ZINC000373338593 526780087 /nfs/dbraw/zinc/78/00/87/526780087.db2.gz FUYUBQYEOQSZCW-CQSZACIVSA-N 0 0 306.410 2.343 10 30 DEEERN C=C(CS(=O)(=O)c1cc(F)c(C)cc1F)C(=O)OCC ZINC000292720680 526884707 /nfs/dbraw/zinc/88/47/07/526884707.db2.gz HZDSAAMDWIJVQF-UHFFFAOYSA-N 0 0 304.314 2.166 10 30 DEEERN CC(C)(C)c1nnsc1C(=O)NCC[C@H](O)C(F)(F)F ZINC000330392480 526897644 /nfs/dbraw/zinc/89/76/44/526897644.db2.gz PRAWECMSJAAFAC-LURJTMIESA-N 0 0 311.329 2.454 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N1CC[C@]12CCOC2 ZINC000422162631 526940799 /nfs/dbraw/zinc/94/07/99/526940799.db2.gz LNYRVQAODCVMPN-QGZVFWFLSA-N 0 0 302.374 2.326 10 30 DEEERN C=CCSCCNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000125263143 526987458 /nfs/dbraw/zinc/98/74/58/526987458.db2.gz LMKQMFUFECQVDQ-UHFFFAOYSA-N 0 0 308.451 2.224 10 30 DEEERN C=CCSCCNC(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000299342319 526997515 /nfs/dbraw/zinc/99/75/15/526997515.db2.gz UPNZVEYQURVTGK-UHFFFAOYSA-N 0 0 307.375 2.058 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)CCC1 ZINC000189578987 527042460 /nfs/dbraw/zinc/04/24/60/527042460.db2.gz ARUMWRJBKZTASY-HUUCEWRRSA-N 0 0 317.433 2.439 10 30 DEEERN C=CCC1(C(=O)N2CC[C@H](c3nc(C)no3)C2)CCOCC1 ZINC000333346278 527047914 /nfs/dbraw/zinc/04/79/14/527047914.db2.gz ZHSZCEWYLKVTNB-ZDUSSCGKSA-N 0 0 305.378 2.067 10 30 DEEERN C=CCC1(C(=O)N[C@@H](C)c2noc(COCC)n2)CCOCC1 ZINC000424828342 527056921 /nfs/dbraw/zinc/05/69/21/527056921.db2.gz NIJMDUOJHKOUNV-LBPRGKRZSA-N 0 0 323.393 2.156 10 30 DEEERN C=CCC1(C(=O)N[C@H](CC(N)=O)c2ccccc2)CCOCC1 ZINC000424858548 527059487 /nfs/dbraw/zinc/05/94/87/527059487.db2.gz YHLLFUUMISUKIY-OAHLLOKOSA-N 0 0 316.401 2.092 10 30 DEEERN C#CCOCCC(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375215930 527063675 /nfs/dbraw/zinc/06/36/75/527063675.db2.gz RCJSHRBIEWHZHI-UHFFFAOYSA-N 0 0 322.355 2.043 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@H](CC)Oc1cccc(C)c1 ZINC000183660269 527089601 /nfs/dbraw/zinc/08/96/01/527089601.db2.gz NUSWJCVECGFQCE-GJZGRUSLSA-N 0 0 306.406 2.389 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCCc1c[nH]c2ccc(F)cc12 ZINC000283331644 527089705 /nfs/dbraw/zinc/08/97/05/527089705.db2.gz ZNZZUJSDFZPPBJ-AWEZNQCLSA-N 0 0 319.380 2.476 10 30 DEEERN C#CCOc1ccc(C(=O)N2CCC(c3c[nH]cn3)CC2)cc1 ZINC000378089732 527093907 /nfs/dbraw/zinc/09/39/07/527093907.db2.gz SMKVHJUPJBJZCW-UHFFFAOYSA-N 0 0 309.369 2.442 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(C)n(-c2cccc(F)c2)n1 ZINC000184031915 527094030 /nfs/dbraw/zinc/09/40/30/527094030.db2.gz ITORBVXURZMTMC-ZDUSSCGKSA-N 0 0 318.352 2.378 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000337077018 527100656 /nfs/dbraw/zinc/10/06/56/527100656.db2.gz RDXBLGIOCKPQFY-HNNXBMFYSA-N 0 0 324.384 2.131 10 30 DEEERN C#CCOc1ccc(CNC(=O)N[C@@H]2CCC[C@H](CO)C2)cc1 ZINC000298738881 527102466 /nfs/dbraw/zinc/10/24/66/527102466.db2.gz XVTLKCOKALXLJW-JKSUJKDBSA-N 0 0 316.401 2.049 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000410641273 527117541 /nfs/dbraw/zinc/11/75/41/527117541.db2.gz KVKCCXUNNMIMNV-CABCVRRESA-N 0 0 310.438 2.075 10 30 DEEERN C=CC[C@H](C)NC(=O)C(=O)Nc1cc(-n2cccn2)ccc1C ZINC000191968026 527122997 /nfs/dbraw/zinc/12/29/97/527122997.db2.gz NBMNCDFGDRROAW-ZDUSSCGKSA-N 0 0 312.373 2.200 10 30 DEEERN C=CC[C@H](C)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000116858794 527135820 /nfs/dbraw/zinc/13/58/20/527135820.db2.gz VWSLPERHBQGNQK-YLQAJVPDSA-N 0 0 316.401 2.295 10 30 DEEERN C=CCCCCNC(=O)C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000339736944 527142028 /nfs/dbraw/zinc/14/20/28/527142028.db2.gz UIAIWLKQPRIJKB-LBPRGKRZSA-N 0 0 322.380 2.484 10 30 DEEERN C#CCSCCNC(=O)N[C@H](CC#C)Cc1ccccc1 ZINC000287412138 527145033 /nfs/dbraw/zinc/14/50/33/527145033.db2.gz LLRZPROHFKPOEB-MRXNPFEDSA-N 0 0 300.427 2.287 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000281344253 527148870 /nfs/dbraw/zinc/14/88/70/527148870.db2.gz MEDXOZRSWOCOQR-ZNMIVQPWSA-N 0 0 322.405 2.468 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000285280444 527161568 /nfs/dbraw/zinc/16/15/68/527161568.db2.gz JISPSJGKKJBWAY-IRXDYDNUSA-N 0 0 321.442 2.110 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[C@H](O)CC1 ZINC000287403766 527173812 /nfs/dbraw/zinc/17/38/12/527173812.db2.gz OCEWWJFTKLADLW-BRWVUGGUSA-N 0 0 300.402 2.224 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC000288081860 527174029 /nfs/dbraw/zinc/17/40/29/527174029.db2.gz HFCKPWRJVBNGGU-OAGGEKHMSA-N 0 0 300.402 2.080 10 30 DEEERN C=CCCCN(C)C(=O)NCCCNC(=O)c1ccccc1 ZINC000347189299 527183769 /nfs/dbraw/zinc/18/37/69/527183769.db2.gz AZZYUWAVHMJMHY-UHFFFAOYSA-N 0 0 303.406 2.414 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000337044829 527208055 /nfs/dbraw/zinc/20/80/55/527208055.db2.gz DWXFAYHTHVBRMY-SNVBAGLBSA-N 0 0 313.279 2.020 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000448370924 527210338 /nfs/dbraw/zinc/21/03/38/527210338.db2.gz BKPGXXSRXABSII-UHFFFAOYSA-N 0 0 310.357 2.165 10 30 DEEERN C=CCCCNC(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000448032195 527218017 /nfs/dbraw/zinc/21/80/17/527218017.db2.gz UTKRKDGWDWAVPL-UHFFFAOYSA-N 0 0 317.433 2.359 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1COC[C@H]1O ZINC000297624987 527259344 /nfs/dbraw/zinc/25/93/44/527259344.db2.gz BNONOQNOQPWJJJ-HUUCEWRRSA-N 0 0 304.390 2.420 10 30 DEEERN CC(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000369233081 527303816 /nfs/dbraw/zinc/30/38/16/527303816.db2.gz RLTHRSPDSDKUBL-INIZCTEOSA-N 0 0 312.373 2.093 10 30 DEEERN C=CCn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)CC1 ZINC000337896359 527310052 /nfs/dbraw/zinc/31/00/52/527310052.db2.gz DLXHSTBXHLFOKM-UHFFFAOYSA-N 0 0 303.454 2.337 10 30 DEEERN C=CCCN(C)C(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000342186460 527312310 /nfs/dbraw/zinc/31/23/10/527312310.db2.gz JFPZFRLIULQWLV-CYBMUJFWSA-N 0 0 314.389 2.003 10 30 DEEERN C=CCCOCCNC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000373951480 527348617 /nfs/dbraw/zinc/34/86/17/527348617.db2.gz SVAZJRILMXGIIO-OAHLLOKOSA-N 0 0 306.410 2.249 10 30 DEEERN C=CCn1cc(CNC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)nn1 ZINC000424909036 527370282 /nfs/dbraw/zinc/37/02/82/527370282.db2.gz RQZRPBLPSBBIGC-VHSXEESVSA-N 0 0 302.300 2.059 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCC(C(=O)N(CC)CC)CC1 ZINC000123164328 527389130 /nfs/dbraw/zinc/38/91/30/527389130.db2.gz LNNILJNYTOKGDZ-CQSZACIVSA-N 0 0 310.438 2.075 10 30 DEEERN C#Cc1ccc(CNC(=O)N(CC)C[C@@H](O)C(F)(F)F)cc1 ZINC000297745985 527435736 /nfs/dbraw/zinc/43/57/36/527435736.db2.gz UVQAOWAJRXFXLR-CYBMUJFWSA-N 0 0 314.307 2.123 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)[C@@H](C)N(Cc2ccccc2)C1=O ZINC000424614608 527489709 /nfs/dbraw/zinc/48/97/09/527489709.db2.gz CTWFVYCNIXYQSA-KBMXLJTQSA-N 0 0 314.385 2.430 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1[C@H](C)CCC ZINC000425910884 527490066 /nfs/dbraw/zinc/49/00/66/527490066.db2.gz YWQMOCNIYKNMCS-QXSJWSMHSA-N 0 0 322.449 2.121 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000425622147 527495355 /nfs/dbraw/zinc/49/53/55/527495355.db2.gz NCIFCDSGNABUBN-GWCFXTLKSA-N 0 0 321.333 2.316 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000188528290 527527885 /nfs/dbraw/zinc/52/78/85/527527885.db2.gz WPRFAURPZBZAKO-PBHICJAKSA-N 0 0 321.421 2.388 10 30 DEEERN CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000330031141 527544611 /nfs/dbraw/zinc/54/46/11/527544611.db2.gz SSFSVHYNWHPICA-NDBYEHHHSA-N 0 0 309.410 2.012 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](CC)N1CCO[C@@H](CC)C1 ZINC000339252012 527586603 /nfs/dbraw/zinc/58/66/03/527586603.db2.gz DZXHKAPCAJLHEI-QWHCGFSZSA-N 0 0 322.371 2.453 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000188528219 527615546 /nfs/dbraw/zinc/61/55/46/527615546.db2.gz WPRFAURPZBZAKO-WMLDXEAASA-N 0 0 321.421 2.388 10 30 DEEERN C=C[C@](C)(O)CC(=O)NCc1ccc(OC)c(OC(F)F)c1 ZINC000339246111 527635130 /nfs/dbraw/zinc/63/51/30/527635130.db2.gz BOGDNJORQZQEHM-HNNXBMFYSA-N 0 0 315.316 2.240 10 30 DEEERN C=CCN(CC=C)S(=O)(=O)c1cccnc1C(F)(F)F ZINC000286440799 527645662 /nfs/dbraw/zinc/64/56/62/527645662.db2.gz HWRZRBYFSUWPIY-UHFFFAOYSA-N 0 0 306.309 2.463 10 30 DEEERN C=CCN(CCC#N)CC(=O)Nc1nc2c(s1)CCCC2 ZINC000428852795 527659133 /nfs/dbraw/zinc/65/91/33/527659133.db2.gz XKBLWTHWVAXWJO-UHFFFAOYSA-N 0 0 304.419 2.362 10 30 DEEERN CC1(C)[C@H](NC(=O)NCC2CCC(C#N)CC2)[C@@H]2CCO[C@@H]21 ZINC000374135571 527857933 /nfs/dbraw/zinc/85/79/33/527857933.db2.gz GOJFPIYFRXPRAE-PCGVCOGMSA-N 0 0 305.422 2.429 10 30 DEEERN CCCCCCCS(=O)(=O)N1CCC[C@H](n2cncn2)C1 ZINC000195248496 528136558 /nfs/dbraw/zinc/13/65/58/528136558.db2.gz KXOOQYYDKYONOQ-AWEZNQCLSA-N 0 0 314.455 2.215 10 30 DEEERN CC(C)CSCCCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000372882439 528214170 /nfs/dbraw/zinc/21/41/70/528214170.db2.gz OXXMJWLYOVPZAH-HNNXBMFYSA-N 0 0 324.494 2.147 10 30 DEEERN CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CCC(C)(C)CC1 ZINC000407958910 528640090 /nfs/dbraw/zinc/64/00/90/528640090.db2.gz UBLOBRKBGOSRPD-LBPRGKRZSA-N 0 0 301.456 2.271 10 30 DEEERN CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000192350130 528730216 /nfs/dbraw/zinc/73/02/16/528730216.db2.gz XPHUOBWQHNFXGA-HNNXBMFYSA-N 0 0 320.414 2.292 10 30 DEEERN CC(C)[C@H](NC(=O)N[C@@H]1CCCOC1)c1nnc2ccccn21 ZINC000329202298 529072472 /nfs/dbraw/zinc/07/24/72/529072472.db2.gz YAJKKHRDPAJOSO-OCCSQVGLSA-N 0 0 317.393 2.109 10 30 DEEERN CC1(C)CN(c2nccc(C#N)n2)C[C@@H](COc2ccccc2)O1 ZINC000296703228 529129399 /nfs/dbraw/zinc/12/93/99/529129399.db2.gz FHGORCQEBDQHAR-INIZCTEOSA-N 0 0 324.384 2.411 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(C#N)cc1OC ZINC000248784986 536552888 /nfs/dbraw/zinc/55/28/88/536552888.db2.gz CMKAXFTUIZVOIU-LXZKKBNFSA-N 0 0 314.385 2.340 10 30 DEEERN C#CCN(CC#C)C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000175720301 622617562 /nfs/dbraw/zinc/61/75/62/622617562.db2.gz XHUWZLOTNPGWJZ-LBPRGKRZSA-N 0 0 320.186 2.311 10 30 DEEERN C=C[C@@H](C)OC(=O)CCCn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000187514590 622814672 /nfs/dbraw/zinc/81/46/72/622814672.db2.gz SKWFRKWNEWFWJC-SNVBAGLBSA-N 0 0 320.301 2.401 10 30 DEEERN C=C[C@@H](C)OC(=O)c1cnn(CCO[C@H]2CCCCO2)c1C ZINC000187574533 622832324 /nfs/dbraw/zinc/83/23/24/622832324.db2.gz XXZHIFVQIJHPLQ-DOMZBBRYSA-N 0 0 308.378 2.466 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)OC1CCN(CC(F)F)CC1 ZINC000187627484 622865040 /nfs/dbraw/zinc/86/50/40/622865040.db2.gz ZKEKQSXLWXPORC-HNNXBMFYSA-N 0 0 305.365 2.488 10 30 DEEERN N#Cc1c(N2CCO[C@@H](C(F)F)C2)nc2cc(Cl)ccn12 ZINC000804693793 623160217 /nfs/dbraw/zinc/16/02/17/623160217.db2.gz IMHXFDVFCKXTEX-SNVBAGLBSA-N 0 0 312.707 2.330 10 30 DEEERN C#CCOc1ccccc1NC(=O)C(=O)N[C@H](C)C(C)(C)C ZINC000187576095 624001853 /nfs/dbraw/zinc/00/18/53/624001853.db2.gz JZOBMKZUVIKMGM-GFCCVEGCSA-N 0 0 302.374 2.188 10 30 DEEERN C#CCCCNC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000255300056 624135708 /nfs/dbraw/zinc/13/57/08/624135708.db2.gz MNGAXRUFXUTQQY-FPLPWBNLSA-N 0 0 312.373 2.261 10 30 DEEERN C=C(C)[C@H]1CC=C(COC(=O)CCN2C(=O)CCC2=O)CC1 ZINC000177694964 625061654 /nfs/dbraw/zinc/06/16/54/625061654.db2.gz OOINNSFZDZKCQB-AWEZNQCLSA-N 0 0 305.374 2.371 10 30 DEEERN CC(C)[C@H](C#N)OC(=O)CN1c2ccccc2SCC1=O ZINC000176787279 625175733 /nfs/dbraw/zinc/17/57/33/625175733.db2.gz PKGZYZORRMTYPO-LBPRGKRZSA-N 0 0 304.371 2.217 10 30 DEEERN COc1c2cnn(C)c2ncc1C(=O)OCC(C)(C)CCC#N ZINC000195042785 625769460 /nfs/dbraw/zinc/76/94/60/625769460.db2.gz LVKGMGPNWNSCOL-UHFFFAOYSA-N 0 0 316.361 2.464 10 30 DEEERN COc1ccc(OC)c(C=NOCc2nnc(C)n2C2CC2)c1 ZINC000255840492 625818098 /nfs/dbraw/zinc/81/80/98/625818098.db2.gz CJRMMLLRKIZWHH-UHFFFAOYSA-N 0 0 316.361 2.489 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000735161338 633478772 /nfs/dbraw/zinc/47/87/72/633478772.db2.gz VPDYBPYVIIOVQS-JTQLQIEISA-N 0 0 304.321 2.463 10 30 DEEERN COC(=O)[C@@H]1CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000735308867 633501258 /nfs/dbraw/zinc/50/12/58/633501258.db2.gz WQVRMKCHFQCJDK-ZDUSSCGKSA-N 0 0 308.765 2.380 10 30 DEEERN C#CCOc1ccccc1[C@@H](C)OC(=O)COC1CCOCC1 ZINC000735396908 633507166 /nfs/dbraw/zinc/50/71/66/633507166.db2.gz FJJJFHIOOJBIAP-CQSZACIVSA-N 0 0 318.369 2.498 10 30 DEEERN C=C(Cl)CNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000736237906 633579619 /nfs/dbraw/zinc/57/96/19/633579619.db2.gz BGQQAKFKAPFVFR-UHFFFAOYSA-N 0 0 308.765 2.061 10 30 DEEERN C=CCCCN(C)Cn1nc(C2CC2)n(CCC(N)=O)c1=S ZINC000736589827 633662891 /nfs/dbraw/zinc/66/28/91/633662891.db2.gz MSAHYKBWFFBPQC-UHFFFAOYSA-N 0 0 323.466 2.022 10 30 DEEERN N#Cc1nc(N)n(Cc2cc(Cl)nc3ccccc23)c1C#N ZINC000126203839 636211032 /nfs/dbraw/zinc/21/10/32/636211032.db2.gz HPBLMAPFCSNLOD-UHFFFAOYSA-N 0 0 308.732 2.459 10 30 DEEERN N#Cc1ccsc1C(=O)NCc1nnc(-c2ccccc2)[nH]1 ZINC000726772268 636463031 /nfs/dbraw/zinc/46/30/31/636463031.db2.gz CMRIYZWOHWODIS-UHFFFAOYSA-N 0 0 309.354 2.335 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CN1CCO[C@@H](C)[C@@H]1C ZINC000164309443 637215597 /nfs/dbraw/zinc/21/55/97/637215597.db2.gz GFCMENYLPNXTAA-STQMWFEESA-N 0 0 311.389 2.192 10 30 DEEERN CC#CCNC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)CC ZINC000121323042 637427886 /nfs/dbraw/zinc/42/78/86/637427886.db2.gz PPLFYBHKVFDEAM-HOCLYGCPSA-N 0 0 316.401 2.467 10 30 DEEERN C#CC[C@@H](OC(=O)c1ccnc(O[C@@H]2CCOC2)c1)C1CC1 ZINC000183655593 637547108 /nfs/dbraw/zinc/54/71/08/637547108.db2.gz RHWYJSDLHOOVFK-HUUCEWRRSA-N 0 0 301.342 2.208 10 30 DEEERN C#CCNC(=O)COC(=O)[C@H](Sc1ccccc1)C(C)C ZINC000727213805 637779474 /nfs/dbraw/zinc/77/94/74/637779474.db2.gz OWDUGQFDEKDPAQ-OAHLLOKOSA-N 0 0 305.399 2.096 10 30 DEEERN C#CCOc1ccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc1 ZINC000741662525 638000065 /nfs/dbraw/zinc/00/00/65/638000065.db2.gz PIVIZODNCBNECU-UHFFFAOYSA-N 0 0 310.353 2.346 10 30 DEEERN C[C@H]1C[C@H](Nc2ccc(S(N)(=O)=O)cc2C#N)C[C@@H](C)C1 ZINC000742408940 638069222 /nfs/dbraw/zinc/06/92/22/638069222.db2.gz HUSIVJULFLLGLW-PJXYFTJBSA-N 0 0 307.419 2.442 10 30 DEEERN CC[S@](=O)CCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000742406262 638069594 /nfs/dbraw/zinc/06/95/94/638069594.db2.gz IHECPONXAHFDTK-QFIPXVFZSA-N 0 0 318.358 2.195 10 30 DEEERN C#CCOc1ccc(C(=O)N[C@](C)(COC)C(F)(F)F)cc1 ZINC000742900840 638103360 /nfs/dbraw/zinc/10/33/60/638103360.db2.gz UWXAAFYBWZNQRR-CQSZACIVSA-N 0 0 315.291 2.396 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cccc3cnccc32)CCN1C1CC1 ZINC000744510772 638226849 /nfs/dbraw/zinc/22/68/49/638226849.db2.gz NRZPSMTXHVQCQA-HNNXBMFYSA-N 0 0 306.369 2.047 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1ccsc1=O ZINC000746612197 638361475 /nfs/dbraw/zinc/36/14/75/638361475.db2.gz RXJQQTFUBAJLTP-UHFFFAOYSA-N 0 0 305.359 2.464 10 30 DEEERN COc1ccc(CNS(=O)(=O)CC2CCCC2)cc1C#N ZINC000746680205 638369712 /nfs/dbraw/zinc/36/97/12/638369712.db2.gz HBJWNPONAMWLRP-UHFFFAOYSA-N 0 0 308.403 2.176 10 30 DEEERN COc1ccc(CNC(=O)NCCc2cccnc2)cc1C#N ZINC000746706114 638371481 /nfs/dbraw/zinc/37/14/81/638371481.db2.gz XSERKJKMHTZGIE-UHFFFAOYSA-N 0 0 310.357 2.004 10 30 DEEERN COCc1nc(C(=O)NCc2ccc(OC)c(C#N)c2)cs1 ZINC000746868995 638382809 /nfs/dbraw/zinc/38/28/09/638382809.db2.gz OZOSIGIASQGIGU-UHFFFAOYSA-N 0 0 317.370 2.100 10 30 DEEERN C=C(C)[C@@H]1CC=C(COC(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC000747175951 638415933 /nfs/dbraw/zinc/41/59/33/638415933.db2.gz GPMQQNGYJMOAPX-HZPDHXFCSA-N 0 0 321.417 2.327 10 30 DEEERN CCc1cc(NC(=O)NCc2ccc(OC)c(C#N)c2)n(C)n1 ZINC000747308290 638427717 /nfs/dbraw/zinc/42/77/17/638427717.db2.gz FWHKRTMCUCQWML-UHFFFAOYSA-N 0 0 313.361 2.184 10 30 DEEERN N#Cc1cccc(CC(=O)NCc2nnc(-c3ccccc3)[nH]2)c1 ZINC000749363213 638638745 /nfs/dbraw/zinc/63/87/45/638638745.db2.gz FOCIXCOVRDORMJ-UHFFFAOYSA-N 0 0 317.352 2.202 10 30 DEEERN CCC[C@@H](C)NC(=O)[C@@H](C)OC(=O)Cc1cccc(C#N)c1 ZINC000750432422 638744122 /nfs/dbraw/zinc/74/41/22/638744122.db2.gz FASLOMSNCMMEDJ-CHWSQXEVSA-N 0 0 302.374 2.337 10 30 DEEERN CC[C@H]1CCCCN1C(=O)COC(=O)Cc1cccc(C#N)c1 ZINC000750434107 638744915 /nfs/dbraw/zinc/74/49/15/638744915.db2.gz LNFJUSBIKDRCFD-INIZCTEOSA-N 0 0 314.385 2.435 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cnn2c1CCCC2 ZINC000750629960 639008923 /nfs/dbraw/zinc/00/89/23/639008923.db2.gz HVNURFRXUSRMIZ-ZDUSSCGKSA-N 0 0 319.405 2.189 10 30 DEEERN CC(=O)N1CSC[C@H]1C(=O)OCC#Cc1ccc(Cl)cc1 ZINC000750884737 639038565 /nfs/dbraw/zinc/03/85/65/639038565.db2.gz FSOQIVSBTSLVBP-AWEZNQCLSA-N 0 0 323.801 2.156 10 30 DEEERN C=CCOCC(=O)OCc1noc(Cc2ccccc2C)n1 ZINC000751658797 639103465 /nfs/dbraw/zinc/10/34/65/639103465.db2.gz FFAGRYIRJAOWEQ-UHFFFAOYSA-N 0 0 302.330 2.215 10 30 DEEERN COc1ccc(CNC(=O)C[C@H]2CSCCS2)cc1C#N ZINC000752139237 639158521 /nfs/dbraw/zinc/15/85/21/639158521.db2.gz QADMMJFDZVTHPZ-ZDUSSCGKSA-N 0 0 322.455 2.422 10 30 DEEERN C=CCOc1ccc(C(=O)O[C@@H]2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000752208559 639163936 /nfs/dbraw/zinc/16/39/36/639163936.db2.gz AZZAYYBNLMFDGJ-HUUCEWRRSA-N 0 0 324.398 2.374 10 30 DEEERN C=CC[C@H](CO)CNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000752755085 639216160 /nfs/dbraw/zinc/21/61/60/639216160.db2.gz RXBRXRFBFPDZED-SUIFULHWSA-N 0 0 304.346 2.299 10 30 DEEERN C#Cc1ccc(C(=O)NCc2cn3cc(Cl)ccc3n2)cn1 ZINC000728857916 639534158 /nfs/dbraw/zinc/53/41/58/639534158.db2.gz AWFFZCUNKGEENI-UHFFFAOYSA-N 0 0 310.744 2.294 10 30 DEEERN C#CCN(CC#C)S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000751970715 639737938 /nfs/dbraw/zinc/73/79/38/639737938.db2.gz FYTGVXOZOCSLNY-UHFFFAOYSA-N 0 0 317.410 2.265 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccc2c(c1)CCCO2)C(C)(C)C ZINC000805146828 639840352 /nfs/dbraw/zinc/84/03/52/639840352.db2.gz MZDRUTDOFYZMGF-HNNXBMFYSA-N 0 0 307.415 2.338 10 30 DEEERN C#Cc1ccc(C(=O)OCCOCCOc2ccccc2)nc1 ZINC000729006695 639840675 /nfs/dbraw/zinc/84/06/75/639840675.db2.gz HWUXBIVCAIFMMY-UHFFFAOYSA-N 0 0 311.337 2.315 10 30 DEEERN C#Cc1ccc(C(=O)OCCOCCOc2ccccc2)cn1 ZINC000729032046 639951033 /nfs/dbraw/zinc/95/10/33/639951033.db2.gz YJZUNERKMWAENN-UHFFFAOYSA-N 0 0 311.337 2.315 10 30 DEEERN C#CCN(C(=O)C[C@@H](C)CC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000729334185 640487019 /nfs/dbraw/zinc/48/70/19/640487019.db2.gz JQMNLHRXCYZUDV-ZIAGYGMSSA-N 0 0 313.463 2.098 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCc1nnc(C)s1 ZINC000805276466 640582538 /nfs/dbraw/zinc/58/25/38/640582538.db2.gz YLXOTOJPSDHSNL-CQSZACIVSA-N 0 0 314.414 2.280 10 30 DEEERN N#Cc1cccc(OCC(=O)NCc2ccc(C#N)cc2F)c1 ZINC000729832705 640843917 /nfs/dbraw/zinc/84/39/17/640843917.db2.gz HIOUGAHNCOFTQU-UHFFFAOYSA-N 0 0 309.300 2.264 10 30 DEEERN Cc1nccn1CCCC(=O)NCc1ccc(C#N)cc1F ZINC000729846146 640846682 /nfs/dbraw/zinc/84/66/82/640846682.db2.gz SOGADOYZUXXJSC-UHFFFAOYSA-N 0 0 300.337 2.299 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)Nc1cc(OC)c(OC)cc1C ZINC000730096405 641470009 /nfs/dbraw/zinc/47/00/09/641470009.db2.gz TYRFBXIRGNMTHF-AWEZNQCLSA-N 0 0 302.374 2.048 10 30 DEEERN C[C@H](NC(=O)[C@H]1CCCC12OCCO2)c1ccc(C#N)cc1 ZINC000806424659 641723010 /nfs/dbraw/zinc/72/30/10/641723010.db2.gz SKDCLZRKRWLEKT-SWLSCSKDSA-N 0 0 300.358 2.279 10 30 DEEERN C#C[C@@H](C)OC(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000805886551 643717168 /nfs/dbraw/zinc/71/71/68/643717168.db2.gz DAKWGFHWIFUOLS-KFWWJZLASA-N 0 0 301.386 2.474 10 30 DEEERN C=C[C@](C)(CCOC)COC(=O)c1ccnc2c1ncn2C ZINC000805925359 643865331 /nfs/dbraw/zinc/86/53/31/643865331.db2.gz LILNROZMBIGAHS-MRXNPFEDSA-N 0 0 303.362 2.354 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)O[C@@H]1CC(=O)N(C)[C@@H]1C ZINC000806069682 644504642 /nfs/dbraw/zinc/50/46/42/644504642.db2.gz BBOXYVOJMMPQKW-BXUZGUMPSA-N 0 0 319.357 2.036 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)COc1ccsc1 ZINC000800307631 645256165 /nfs/dbraw/zinc/25/61/65/645256165.db2.gz XAASQTRBAZWXEW-GFCCVEGCSA-N 0 0 311.403 2.483 10 30 DEEERN C#CCNC(=O)[C@H](C)N1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000800474495 645278542 /nfs/dbraw/zinc/27/85/42/645278542.db2.gz KIRIIZKLTFKKMA-SUMWQHHRSA-N 0 0 306.356 2.143 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000800736813 645300941 /nfs/dbraw/zinc/30/09/41/645300941.db2.gz DDRHVZWJWDYOIM-ABAIWWIYSA-N 0 0 308.809 2.291 10 30 DEEERN C=C(C)CNC(=S)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000800823854 645309405 /nfs/dbraw/zinc/30/94/05/645309405.db2.gz ZELPMQOXVRWBGE-KRWDZBQOSA-N 0 0 304.459 2.463 10 30 DEEERN C=C(C)CNC(=S)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000800823855 645309434 /nfs/dbraw/zinc/30/94/34/645309434.db2.gz ZELPMQOXVRWBGE-QGZVFWFLSA-N 0 0 304.459 2.463 10 30 DEEERN C#Cc1cccc(NC(=O)CNc2nc([C@@H](C)OC)ns2)c1 ZINC000800846568 645311405 /nfs/dbraw/zinc/31/14/05/645311405.db2.gz NHHOJKASYZAGKQ-SNVBAGLBSA-N 0 0 316.386 2.277 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)COCc1cc(C)no1 ZINC000800901453 645318940 /nfs/dbraw/zinc/31/89/40/645318940.db2.gz GNXYVSIMPBBLJZ-UHFFFAOYSA-N 0 0 318.304 2.289 10 30 DEEERN C#CCOCCNC(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000801047623 645334916 /nfs/dbraw/zinc/33/49/16/645334916.db2.gz IERYDLQSSRSJOV-LBPRGKRZSA-N 0 0 318.339 2.400 10 30 DEEERN N#CCSc1ccccc1C(=O)N1CCO[C@@H](C(F)F)C1 ZINC000801115958 645344032 /nfs/dbraw/zinc/34/40/32/645344032.db2.gz YLOFLPMJGLNAOL-LLVKDONJSA-N 0 0 312.341 2.408 10 30 DEEERN C=CCN(C)c1nnc([C@@H]2Cc3ccccc3O2)n1CCOC ZINC000802507651 645531230 /nfs/dbraw/zinc/53/12/30/645531230.db2.gz LKEUDANDGFIFQC-HNNXBMFYSA-N 0 0 314.389 2.223 10 30 DEEERN C=CCOC(=O)N1CCC(OC(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC000802826614 645564604 /nfs/dbraw/zinc/56/46/04/645564604.db2.gz JCSXREWYVFGCQG-KGLIPLIRSA-N 0 0 311.378 2.132 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)OC)nc1 ZINC000803520931 645667438 /nfs/dbraw/zinc/66/74/38/645667438.db2.gz VLKHLYFNZQUCEP-MRXNPFEDSA-N 0 0 322.364 2.233 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)COCc1ncc(C)o1 ZINC000803521133 645667790 /nfs/dbraw/zinc/66/77/90/645667790.db2.gz YRBXYLDEUIFTIS-MRXNPFEDSA-N 0 0 312.369 2.250 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)COCc1cc(C)no1 ZINC000803523429 645668388 /nfs/dbraw/zinc/66/83/88/645668388.db2.gz PGNOPRABXBDRMU-INIZCTEOSA-N 0 0 312.369 2.250 10 30 DEEERN C=C(COC(=O)c1cc(=O)c2ccc(F)cc2o1)C(=O)OCC ZINC000803929688 645718470 /nfs/dbraw/zinc/71/84/70/645718470.db2.gz XPXSJTIKLHVOGH-UHFFFAOYSA-N 0 0 320.272 2.208 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1ccnc(C(=O)OC)c1 ZINC000804455235 645773987 /nfs/dbraw/zinc/77/39/87/645773987.db2.gz YBHPXJWAPIAQRR-MRXNPFEDSA-N 0 0 322.364 2.233 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cnn2cccnc12 ZINC000804453628 645774062 /nfs/dbraw/zinc/77/40/62/645774062.db2.gz ILUPYXKSTIDMHP-OAHLLOKOSA-N 0 0 304.353 2.094 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Cc1noc(C)c1C#N ZINC000804456015 645774074 /nfs/dbraw/zinc/77/40/74/645774074.db2.gz QCALPYZHCVMMAP-OAHLLOKOSA-N 0 0 307.353 2.148 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC12OCCO2 ZINC000804459938 645774900 /nfs/dbraw/zinc/77/49/00/645774900.db2.gz RVVKXYKCDAKVLR-SJORKVTESA-N 0 0 313.397 2.280 10 30 DEEERN C#Cc1cncc(C(=O)NCc2cccc(OCCOC)c2)c1 ZINC000806501831 645838628 /nfs/dbraw/zinc/83/86/28/645838628.db2.gz GQAVSSJUHSFDKX-UHFFFAOYSA-N 0 0 310.353 2.018 10 30 DEEERN C#CC[C@@H](NC(=O)CO[C@H](C)c1nccn1C)c1ccccc1 ZINC000807163002 645917313 /nfs/dbraw/zinc/91/73/13/645917313.db2.gz GXBZKVKOCYJBTC-GDBMZVCRSA-N 0 0 311.385 2.379 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@]1(C)CCO[C@H]1C ZINC000807466239 645953667 /nfs/dbraw/zinc/95/36/67/645953667.db2.gz QGDAYTIBEPGAGL-LESCRADOSA-N 0 0 300.402 2.488 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@H](O)C1CC1 ZINC000807464976 645953849 /nfs/dbraw/zinc/95/38/49/645953849.db2.gz CPBXAYFQYQKXNM-IRXDYDNUSA-N 0 0 300.402 2.033 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H](O)CC(F)(F)C1 ZINC000807466457 645954361 /nfs/dbraw/zinc/95/43/61/645954361.db2.gz BEHFPDLRDUVGIQ-HUUCEWRRSA-N 0 0 322.355 2.033 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@H]1C[C@@H](OC)C1 ZINC000807466921 645954610 /nfs/dbraw/zinc/95/46/10/645954610.db2.gz HIGZASVZUCNVGI-ZACQAIPSSA-N 0 0 300.402 2.440 10 30 DEEERN C#C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CC=C)C2=O)C(C)(C)C ZINC000807879984 646002911 /nfs/dbraw/zinc/00/29/11/646002911.db2.gz ACRZZPGGPYVBPI-HNNXBMFYSA-N 0 0 324.380 2.246 10 30 DEEERN CC(N=Nc1cc(Cl)nc(N)n1)c1cn2c(n1)CCCC2 ZINC000807981196 646015495 /nfs/dbraw/zinc/01/54/95/646015495.db2.gz IOWMVFJWLHQGIB-UHFFFAOYSA-N 0 0 305.773 2.081 10 30 DEEERN C=CCn1cnc2oc(C)c(C(=O)Nc3cccnc3C)c2c1=O ZINC000222770497 646465490 /nfs/dbraw/zinc/46/54/90/646465490.db2.gz AJWRIODHHIGGHJ-UHFFFAOYSA-N 0 0 324.340 2.440 10 30 DEEERN CC(=O)N1CSC[C@@H]1C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000171029566 646682272 /nfs/dbraw/zinc/68/22/72/646682272.db2.gz FJOXVZMHJXROQA-OAHLLOKOSA-N 0 0 317.414 2.163 10 30 DEEERN C#C[C@@H](C)OC(=O)c1cccc(I)c1 ZINC000174423775 646808500 /nfs/dbraw/zinc/80/85/00/646808500.db2.gz BAOQVOVCOYWMBH-MRVPVSSYSA-N 0 0 300.095 2.470 10 30 DEEERN C#C[C@H](C)OC(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000174434807 646810774 /nfs/dbraw/zinc/81/07/74/646810774.db2.gz SHZUWIINRVOCAI-HZMBPMFUSA-N 0 0 309.312 2.284 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000730272308 646881450 /nfs/dbraw/zinc/88/14/50/646881450.db2.gz BWQFBFLXUJCNEG-WFASDCNBSA-N 0 0 304.365 2.109 10 30 DEEERN N#C[C@H](C(=O)Cn1ncc2ccccc21)C(=O)NC1CCCCC1 ZINC000730686339 647380277 /nfs/dbraw/zinc/38/02/77/647380277.db2.gz FRWXTVCATSPHNA-OAHLLOKOSA-N 0 0 324.384 2.194 10 30 DEEERN CC(C)n1ccn(CN2CCN(C3CC3)[C@H](C#N)C2)c1=S ZINC000732671869 647640070 /nfs/dbraw/zinc/64/00/70/647640070.db2.gz AMKQQIBWJKNRAU-CQSZACIVSA-N 0 0 305.451 2.230 10 30 DEEERN C#CCCOC(=O)CSc1nncn1-c1ccccc1CC ZINC000170718594 648090137 /nfs/dbraw/zinc/09/01/37/648090137.db2.gz PZSNVHWYGJKURN-UHFFFAOYSA-N 0 0 315.398 2.488 10 30 DEEERN C[C@H](C#N)NC(=O)Cn1c2ccccc2nc1SC(F)F ZINC000068925199 648512416 /nfs/dbraw/zinc/51/24/16/648512416.db2.gz NXSZUAPKMUTSJW-MRVPVSSYSA-N 0 0 310.329 2.379 10 30 DEEERN C=CCCO[C@@H](C)C(=O)[C@@H](C#N)c1nnc2n1CCCCC2 ZINC000069345812 648594508 /nfs/dbraw/zinc/59/45/08/648594508.db2.gz SDECQSRLJYRKOY-QWHCGFSZSA-N 0 0 302.378 2.162 10 30 DEEERN C#CC[C@@H](OC(=O)CNC(=O)c1ccc(OC)cc1)C(C)C ZINC000183312544 649058174 /nfs/dbraw/zinc/05/81/74/649058174.db2.gz UNVPACGPARPGMC-OAHLLOKOSA-N 0 0 303.358 2.016 10 30 DEEERN COc1ccc(F)cc1CC(=O)OCC1(C#N)CCOCC1 ZINC000184495048 649289541 /nfs/dbraw/zinc/28/95/41/649289541.db2.gz NRSIJQODPIXYSX-UHFFFAOYSA-N 0 0 307.321 2.240 10 30 DEEERN C#CCC(C)(C)COC(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000185372293 649512064 /nfs/dbraw/zinc/51/20/64/649512064.db2.gz MLSDRLUUXXXUHP-CQSZACIVSA-N 0 0 303.358 2.456 10 30 DEEERN C=CCOc1ccccc1C(=O)O[C@@H](C)CCS(C)(=O)=O ZINC000185752999 649602610 /nfs/dbraw/zinc/60/26/10/649602610.db2.gz GZRTUACGBSVEIN-LBPRGKRZSA-N 0 0 312.387 2.231 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccccc1C(N)=O ZINC000105560633 651148262 /nfs/dbraw/zinc/14/82/62/651148262.db2.gz FPOBRAAWPZSMKQ-GFCCVEGCSA-N 0 0 324.336 2.168 10 30 DEEERN COc1ccccc1[C@H](O)CNC(=O)CCc1ccc(C#N)cc1 ZINC000041450091 683890177 /nfs/dbraw/zinc/89/01/77/683890177.db2.gz UEYKSLOYEBUGPP-QGZVFWFLSA-N 0 0 324.380 2.349 10 30 DEEERN C=CCOc1ccc(OC(=O)CCCNC(=O)C2CC2)cc1 ZINC000081324180 683989772 /nfs/dbraw/zinc/98/97/72/683989772.db2.gz BCHWUYVSKRQAHG-UHFFFAOYSA-N 0 0 303.358 2.463 10 30 DEEERN CCC1(COC(=O)CCc2c(C)nn(CCC#N)c2C)COC1 ZINC000084850536 684006766 /nfs/dbraw/zinc/00/67/66/684006766.db2.gz IFLADTVNJLHTON-UHFFFAOYSA-N 0 0 319.405 2.316 10 30 DEEERN C=CCC[C@H](C)OC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000089319629 684021913 /nfs/dbraw/zinc/02/19/13/684021913.db2.gz PAGSPYZQQGUDLJ-ZDUSSCGKSA-N 0 0 311.403 2.205 10 30 DEEERN CC(C)[C@@H](C#N)OC(=O)c1cnn2cc(Br)cnc12 ZINC000091693128 684038157 /nfs/dbraw/zinc/03/81/57/684038157.db2.gz DZQVPDIJYGPGTR-SNVBAGLBSA-N 0 0 323.150 2.197 10 30 DEEERN C=CCCOC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000116594100 684065392 /nfs/dbraw/zinc/06/53/92/684065392.db2.gz XQBTVPCIQUOHOD-ZBFHGGJFSA-N 0 0 303.358 2.334 10 30 DEEERN C=CCNC(=O)[C@@H](C#N)C(=O)CCCc1ccc(F)c(F)c1 ZINC000120038061 684091274 /nfs/dbraw/zinc/09/12/74/684091274.db2.gz MXQFYFYEYHWWKM-LBPRGKRZSA-N 0 0 306.312 2.299 10 30 DEEERN C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC#N)C(C)(C)C ZINC000123318768 684124100 /nfs/dbraw/zinc/12/41/00/684124100.db2.gz YYYHHVVJWWDFOZ-SNVBAGLBSA-N 0 0 321.352 2.217 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)O[C@@H](C#N)C2CC2)C1 ZINC000125110689 684141782 /nfs/dbraw/zinc/14/17/82/684141782.db2.gz YFMFQKCSUPMIJT-AAEUAGOBSA-N 0 0 308.378 2.479 10 30 DEEERN C#CCOc1cccc(COC(=O)CN(C)[C@H]2CCSC2)c1 ZINC000125639702 684147294 /nfs/dbraw/zinc/14/72/94/684147294.db2.gz VELAXSGAPDJDJZ-HNNXBMFYSA-N 0 0 319.426 2.179 10 30 DEEERN C#CCN1CCN(C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)CC1 ZINC000128169144 684169224 /nfs/dbraw/zinc/16/92/24/684169224.db2.gz HOYICJLNAJWPGL-UHFFFAOYSA-N 0 0 316.449 2.153 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000131005133 684195582 /nfs/dbraw/zinc/19/55/82/684195582.db2.gz LIFOBBJOCLKKDZ-BETUJISGSA-N 0 0 311.389 2.192 10 30 DEEERN C[C@H]1[C@@H](NC(=O)C(C)(C)C#N)CCCN1C(=O)OC(C)(C)C ZINC000188335254 684353795 /nfs/dbraw/zinc/35/37/95/684353795.db2.gz HFJAMRDCQFRFQS-RYUDHWBXSA-N 0 0 309.410 2.440 10 30 DEEERN C#CCCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000192073144 684440818 /nfs/dbraw/zinc/44/08/18/684440818.db2.gz LHMFZKHZKDLDAT-GASCZTMLSA-N 0 0 315.417 2.115 10 30 DEEERN COc1ccc([C@@H](CC(=O)OC(C)(C)C#N)NC(C)=O)cc1 ZINC000194481448 685067316 /nfs/dbraw/zinc/06/73/16/685067316.db2.gz OACZKJRALBQGNT-CQSZACIVSA-N 0 0 304.346 2.108 10 30 DEEERN N#C[C@H](C(=O)NC1CC1)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000246005099 685121285 /nfs/dbraw/zinc/12/12/85/685121285.db2.gz FRSQDCAJDKXJKJ-WOPDTQHZSA-N 0 0 304.296 2.056 10 30 DEEERN Cc1cccnc1C=CC(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000588456392 777218285 /nfs/dbraw/zinc/21/82/85/777218285.db2.gz DIPRMKFZFYZYCK-WSROAFLRSA-N 0 0 306.325 2.146 10 30 DEEERN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)C=Cc1ccncn1 ZINC000588468268 777238627 /nfs/dbraw/zinc/23/86/27/777238627.db2.gz RLZRBHWQFJHSBW-FWWRYZNZSA-N 0 0 303.325 2.253 10 30 DEEERN COc1ccc(CNC(=O)CCc2cscn2)cc1C#N ZINC000746927014 786549931 /nfs/dbraw/zinc/54/99/31/786549931.db2.gz RBPZTWSPCIHTMY-UHFFFAOYSA-N 0 0 301.371 2.272 10 30 DEEERN C#CC[C@H](COC)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715720620 792507917 /nfs/dbraw/zinc/50/79/17/792507917.db2.gz JEJVIYOGWDTKSY-LLVKDONJSA-N 0 0 316.170 2.422 10 30 DEEERN C#CC[C@@H](COC)NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000716890113 793020554 /nfs/dbraw/zinc/02/05/54/793020554.db2.gz VZCRIQWIPUTOEK-NSHDSACASA-N 0 0 322.213 2.310 10 30 DEEERN CCCc1nc(C(=O)NC2(C#N)CC2)nn1-c1ccccc1F ZINC000173769089 798808413 /nfs/dbraw/zinc/80/84/13/798808413.db2.gz XQHLZYPVUZLWDD-UHFFFAOYSA-N 0 0 313.336 2.145 10 30 DEEERN N#CCCCCS(=O)(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000800156553 799325785 /nfs/dbraw/zinc/32/57/85/799325785.db2.gz FMYSNTVNMZTBCI-AWEZNQCLSA-N 0 0 312.822 2.420 10 30 DEEERN C#CC[C@@H](CO)NC(=O)/C=C\c1ccc(C)cc1Br ZINC000717702999 799428628 /nfs/dbraw/zinc/42/86/28/799428628.db2.gz NDJJCKXKBZPGQR-WSROAFLRSA-N 0 0 322.202 2.271 10 30 DEEERN CCOc1ccc(C#N)cc1NC(=O)Cn1nnc2ccccc21 ZINC000056477597 1078700439 /nfs/dbraw/zinc/70/04/39/1078700439.db2.gz BMQGPCGOHHGNJX-UHFFFAOYSA-N 0 0 321.340 2.340 10 30 DEEERN C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CCO1 ZINC000720473550 1085134497 /nfs/dbraw/zinc/13/44/97/1085134497.db2.gz GOCMOZKWORQCGS-JTQLQIEISA-N 0 0 314.794 2.011 10 30 DEEERN N#Cc1cc(Br)cn(C[C@@H]2C[C@@H]3CCC[C@H]3O2)c1=O ZINC000720884194 1086494074 /nfs/dbraw/zinc/49/40/74/1086494074.db2.gz ZAMWPGTYPACJCE-TVYUQYBPSA-N 0 0 323.190 2.440 10 30 DEEERN COC(C)(C)[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000720054953 1089445533 /nfs/dbraw/zinc/44/55/33/1089445533.db2.gz VDLLXHLDUHSOIS-SECBINFHSA-N 0 0 316.810 2.303 10 30 DEEERN C=CCn1c(CC(C)(C)C)nnc1N1CCO[C@](C)(COC)C1 ZINC000624826341 365562688 /nfs/dbraw/zinc/56/26/88/365562688.db2.gz DNZXVYFESNRBDI-KRWDZBQOSA-N 0 0 322.453 2.294 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)c1ccc(OC)c(F)c1 ZINC000612301888 361785067 /nfs/dbraw/zinc/78/50/67/361785067.db2.gz UXHJUZVNRREZDP-AWEZNQCLSA-N 0 0 308.353 2.268 10 30 DEEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[C@H](OC(F)F)C1 ZINC000624990127 365608502 /nfs/dbraw/zinc/60/85/02/365608502.db2.gz ILOMOCOWCBYQIN-NSHDSACASA-N 0 0 324.335 2.062 10 30 DEEERN C=CCN(C1CC1)S(=O)(=O)C[C@@H](OC)c1ccc(F)cc1 ZINC000625108405 365645814 /nfs/dbraw/zinc/64/58/14/365645814.db2.gz YRYYZWKTYQIZRP-OAHLLOKOSA-N 0 0 313.394 2.493 10 30 DEEERN C=CCCOCC(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000625164291 365667920 /nfs/dbraw/zinc/66/79/20/365667920.db2.gz ANAKFFKIORNQKA-UHFFFAOYSA-N 0 0 313.357 2.277 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC000612434424 361826166 /nfs/dbraw/zinc/82/61/66/361826166.db2.gz PRJKGDSBHDTELP-KBPBESRZSA-N 0 0 322.792 2.361 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)CCc1ccc(O)cc1 ZINC000612618046 361875043 /nfs/dbraw/zinc/87/50/43/361875043.db2.gz NSEMYXIMJONFFU-DYVFJYSZSA-N 0 0 318.417 2.300 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(c2ccccn2)CC1 ZINC000612930212 361952854 /nfs/dbraw/zinc/95/28/54/361952854.db2.gz QEKALOOEXLLDLY-KRWDZBQOSA-N 0 0 315.417 2.259 10 30 DEEERN CC[C@@H](CC#N)NS(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000192649383 529448673 /nfs/dbraw/zinc/44/86/73/529448673.db2.gz ZXBLBFBRQMHKLT-LBPRGKRZSA-N 0 0 308.403 2.371 10 30 DEEERN CC[C@@H]1C[C@H]1NC(=O)N[C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000328882419 529456131 /nfs/dbraw/zinc/45/61/31/529456131.db2.gz MTNAFNYEWLVKOC-BZUAXINKSA-N 0 0 315.417 2.132 10 30 DEEERN COc1cccc(N2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC000181301809 199279052 /nfs/dbraw/zinc/27/90/52/199279052.db2.gz HTPCZPOAKRYXBE-AWEZNQCLSA-N 0 0 324.384 2.294 10 30 DEEERN CC(C)(C)CS(=O)(=O)Nc1ccc(C#CCCO)c(F)c1 ZINC000088083348 185239142 /nfs/dbraw/zinc/23/91/42/185239142.db2.gz YLTDQPMPEAGSMJ-UHFFFAOYSA-N 0 0 313.394 2.347 10 30 DEEERN C[C@](N)(C#N)CCOc1ccc(Br)cc1[N+](=O)[O-] ZINC000088086841 185239391 /nfs/dbraw/zinc/23/93/91/185239391.db2.gz TXZFEJFHFWXRMN-LLVKDONJSA-N 0 0 314.139 2.367 10 30 DEEERN N#CCCCS(=O)(=O)c1cc(Br)ccc1N ZINC000088088739 185239437 /nfs/dbraw/zinc/23/94/37/185239437.db2.gz DFJYIADEXXQUOO-UHFFFAOYSA-N 0 0 303.181 2.109 10 30 DEEERN COc1ccc(CS(=O)(=O)c2ccc(N)cc2)cc1C#N ZINC000087832597 185232627 /nfs/dbraw/zinc/23/26/27/185232627.db2.gz NTWAVHKHZWUKHW-UHFFFAOYSA-N 0 0 302.355 2.123 10 30 DEEERN O=C(NO)c1cc(Br)c(Br)s1 ZINC000088317991 185245522 /nfs/dbraw/zinc/24/55/22/185245522.db2.gz YOGMEOIBJUBAMJ-UHFFFAOYSA-N 0 0 300.959 2.392 10 30 DEEERN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(N)cc1C(F)(F)F ZINC000088467920 185251839 /nfs/dbraw/zinc/25/18/39/185251839.db2.gz GXZDMAOUTRIBKG-QMMMGPOBSA-N 0 0 307.297 2.331 10 30 DEEERN CC[C@H](C#N)NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000171004474 529582313 /nfs/dbraw/zinc/58/23/13/529582313.db2.gz CPZQXLXZSYPPMO-GFCCVEGCSA-N 0 0 305.403 2.019 10 30 DEEERN CN(CCC#N)C(=O)c1sc2nc3c(cc2c1N)CCC3 ZINC000088639656 185260702 /nfs/dbraw/zinc/26/07/02/185260702.db2.gz CIIADVFGAAXZKF-UHFFFAOYSA-N 0 0 300.387 2.353 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(C)c(F)c1F ZINC000625257042 365699707 /nfs/dbraw/zinc/69/97/07/365699707.db2.gz KLBZKIFFFAJHNW-QWRGUYRKSA-N 0 0 317.357 2.143 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(C)Cc2ccccc2C1 ZINC000613198970 362036100 /nfs/dbraw/zinc/03/61/00/362036100.db2.gz LTEROHPVEFFNAC-KRWDZBQOSA-N 0 0 314.429 2.379 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000625328139 365730603 /nfs/dbraw/zinc/73/06/03/365730603.db2.gz RVQZXLLWFVIOSZ-UHFFFAOYSA-N 0 0 311.403 2.338 10 30 DEEERN CCCCC(=O)NCC#CCOc1cccc(NC(C)=O)c1 ZINC000090731956 185311540 /nfs/dbraw/zinc/31/15/40/185311540.db2.gz SHEUZSUBPUMRKQ-UHFFFAOYSA-N 0 0 302.374 2.334 10 30 DEEERN Cc1cc(C(=O)NCC#CCOc2ccc(F)cc2F)no1 ZINC000090732571 185311630 /nfs/dbraw/zinc/31/16/30/185311630.db2.gz BAHXYSOQDYEPKS-UHFFFAOYSA-N 0 0 306.268 2.073 10 30 DEEERN C=CCN(Cc1cc(C)c(OC)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361194 185314168 /nfs/dbraw/zinc/31/41/68/185314168.db2.gz DCPPPLJGWAKBIN-INIZCTEOSA-N 0 0 323.458 2.487 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CC1(O)CCCCCC1 ZINC000613682754 362179437 /nfs/dbraw/zinc/17/94/37/362179437.db2.gz BTGUTVJZGKRFIT-HNNXBMFYSA-N 0 0 310.438 2.001 10 30 DEEERN CCN(CCC#N)c1cc2c(cc1Br)[C@@H](O)C(=O)N2 ZINC000092774227 185339715 /nfs/dbraw/zinc/33/97/15/185339715.db2.gz CJCJXKZBDYOFBT-GFCCVEGCSA-N 0 0 324.178 2.175 10 30 DEEERN C[C@@H](C#N)CN(C)c1cc2c(cc1Br)C(=O)C(=O)N2 ZINC000092773399 185339845 /nfs/dbraw/zinc/33/98/45/185339845.db2.gz KKJQRDFTBLNMST-ZETCQYMHSA-N 0 0 322.162 2.180 10 30 DEEERN C[C@H](CC#N)N(C)c1cc2c(cc1Br)C(=O)C(=O)N2 ZINC000092773548 185339932 /nfs/dbraw/zinc/33/99/32/185339932.db2.gz MKFIZAPYCAQTJU-SSDOTTSWSA-N 0 0 322.162 2.322 10 30 DEEERN CCc1nc(C(C)(C)NC(=O)NCC2CCC(C#N)CC2)no1 ZINC000442724313 529711915 /nfs/dbraw/zinc/71/19/15/529711915.db2.gz VJNMVBGXZSWRPE-UHFFFAOYSA-N 0 0 319.409 2.496 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cc3c(cc2C)OCO3)C1 ZINC000625356040 365744678 /nfs/dbraw/zinc/74/46/78/365744678.db2.gz YXTFOFISXRPLIQ-LBPRGKRZSA-N 0 0 309.387 2.310 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)Cc1ccccc1OC ZINC000625361360 365747804 /nfs/dbraw/zinc/74/78/04/365747804.db2.gz YYUSOKWIQKRFND-UHFFFAOYSA-N 0 0 318.417 2.372 10 30 DEEERN N#CC(C(=O)[C@@H]1CCCCS1(=O)=O)c1cc(F)cc(F)c1 ZINC000168527498 197724519 /nfs/dbraw/zinc/72/45/19/197724519.db2.gz UVWPFGQJZPSHRD-OLZOCXBDSA-N 0 0 313.325 2.108 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)Cc1scnc1C ZINC000625464549 365796467 /nfs/dbraw/zinc/79/64/67/365796467.db2.gz HOOCBUZWPUULNJ-UHFFFAOYSA-N 0 0 309.435 2.128 10 30 DEEERN CN(CCC#N)c1ccc(CN2CCC[C@]23CCOC3=O)cc1 ZINC000250099402 529869858 /nfs/dbraw/zinc/86/98/58/529869858.db2.gz REVQIXNAVBFNJI-GOSISDBHSA-N 0 0 313.401 2.318 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ncnc2sccc21 ZINC000614371863 362363567 /nfs/dbraw/zinc/36/35/67/362363567.db2.gz BGGUQANYXHVHLC-MFKMUULPSA-N 0 0 303.387 2.402 10 30 DEEERN C=C[C@](C)(O)C(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000614521762 362401275 /nfs/dbraw/zinc/40/12/75/362401275.db2.gz RWWQXJTWOVUACU-SFHVURJKSA-N 0 0 318.392 2.116 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC=C(c2cccnc2)C1 ZINC000614860980 362477038 /nfs/dbraw/zinc/47/70/38/362477038.db2.gz IQXCEVJLYRTRKP-QGZVFWFLSA-N 0 0 313.401 2.168 10 30 DEEERN CN1CCN(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)C[C@H]1C#N ZINC000333522854 530068892 /nfs/dbraw/zinc/06/88/92/530068892.db2.gz OGJGCKMUCCRFFS-XHSDSOJGSA-N 0 0 304.438 2.052 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000615365193 362594578 /nfs/dbraw/zinc/59/45/78/362594578.db2.gz QXSKRLGHGUJBEW-ULQDDVLXSA-N 0 0 300.402 2.377 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@](F)(C#N)C1 ZINC000615583565 362645369 /nfs/dbraw/zinc/64/53/69/362645369.db2.gz UPGOYQSPKHFRJI-RDJZCZTQSA-N 0 0 315.348 2.426 10 30 DEEERN CCC[C@H](C#N)N1CCN(c2ncc(Br)cn2)CC1 ZINC000111750898 185632862 /nfs/dbraw/zinc/63/28/62/185632862.db2.gz WGFMZRPHQQCAEH-GFCCVEGCSA-N 0 0 324.226 2.053 10 30 DEEERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(CC#N)cc1)CC2 ZINC000114900484 185647171 /nfs/dbraw/zinc/64/71/71/185647171.db2.gz CXSVIAAVODGSQC-CQSZACIVSA-N 0 0 324.388 2.043 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000615838556 362712567 /nfs/dbraw/zinc/71/25/67/362712567.db2.gz IDPJBJGNVFZTBB-OWCLPIDISA-N 0 0 310.438 2.025 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc2[nH]c(=O)n(C3CC3)c2c1 ZINC000615850051 362716252 /nfs/dbraw/zinc/71/62/52/362716252.db2.gz UXEVYJMUYKBRHK-HIFRSBDPSA-N 0 0 313.357 2.150 10 30 DEEERN CC(C)[C@H](CNC(=O)Cc1cccc(C#N)c1)c1ccnn1C ZINC000615954666 362737619 /nfs/dbraw/zinc/73/76/19/362737619.db2.gz QYKYYJZOTBBUDU-INIZCTEOSA-N 0 0 310.401 2.390 10 30 DEEERN C=CC[C@H]1CCN(CC(=O)Nc2nnc(-c3ccco3)o2)C1 ZINC000625700617 365874165 /nfs/dbraw/zinc/87/41/65/365874165.db2.gz CZMMQGNWYSNCSY-NSHDSACASA-N 0 0 302.334 2.166 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1Cc2cccc(OC)c2C1 ZINC000625764050 365894290 /nfs/dbraw/zinc/89/42/90/365894290.db2.gz JKGGWKJBAPUECJ-UHFFFAOYSA-N 0 0 316.401 2.400 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000182788437 539657600 /nfs/dbraw/zinc/65/76/00/539657600.db2.gz UOISZOIPWNXTIZ-CYBMUJFWSA-N 0 0 316.323 2.484 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000182788417 539657607 /nfs/dbraw/zinc/65/76/07/539657607.db2.gz UOISZOIPWNXTIZ-ZDUSSCGKSA-N 0 0 316.323 2.484 10 30 DEEERN C=CCN(C[C@@H](C)C(=O)OC)C(=O)c1cccc(NC(C)=O)c1 ZINC000071638917 190996617 /nfs/dbraw/zinc/99/66/17/190996617.db2.gz UYPFYZXMAOPWSE-GFCCVEGCSA-N 0 0 318.373 2.082 10 30 DEEERN C[C@@H]1[C@H](C)SCCN1C(=O)c1cc(F)ccc1C#CCO ZINC000133642403 186002209 /nfs/dbraw/zinc/00/22/09/186002209.db2.gz TZCGBJQIEFSQQJ-NEPJUHHUSA-N 0 0 307.390 2.136 10 30 DEEERN C[C@@H]1[C@H](C)SCCN1C(=O)c1cc(C#CCO)ccc1F ZINC000133648097 186002830 /nfs/dbraw/zinc/00/28/30/186002830.db2.gz DRNCWHXKMQFHQR-NEPJUHHUSA-N 0 0 307.390 2.136 10 30 DEEERN N#C[C@@]1(NCc2cccs2)CCS(=O)(=O)c2ccccc21 ZINC000147671900 186040816 /nfs/dbraw/zinc/04/08/16/186040816.db2.gz ZLPHLVFKPOOJHJ-HNNXBMFYSA-N 0 0 318.423 2.434 10 30 DEEERN CC1(C)CCC[C@H](NS(=O)(=O)c2ccc(C#N)cc2N)C1 ZINC000149233441 186048713 /nfs/dbraw/zinc/04/87/13/186048713.db2.gz ZAWVNFQHEQZJKD-LBPRGKRZSA-N 0 0 307.419 2.388 10 30 DEEERN C#CCN(CC)S(=O)(=O)c1c(Cl)cc(N)cc1Cl ZINC000164415871 186158876 /nfs/dbraw/zinc/15/88/76/186158876.db2.gz KXNGXBSSGSYGCY-UHFFFAOYSA-N 0 0 307.202 2.219 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1C ZINC000186050721 186235751 /nfs/dbraw/zinc/23/57/51/186235751.db2.gz KOGZTLIEQSLLRL-LLVKDONJSA-N 0 0 310.419 2.444 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccn2c(=O)[nH]nc12 ZINC000617041759 363007740 /nfs/dbraw/zinc/00/77/40/363007740.db2.gz IMSVJRYLYISBNR-AAEUAGOBSA-N 0 0 300.362 2.300 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cn1nnc2c1CCCC2 ZINC000617043975 363007974 /nfs/dbraw/zinc/00/79/74/363007974.db2.gz HJSKSDLBHKWEQX-KGLIPLIRSA-N 0 0 302.422 2.408 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CNc1ccccc1C(N)=O ZINC000617042193 363008035 /nfs/dbraw/zinc/00/80/35/363008035.db2.gz OPOUJVDHTQYJMA-DZGCQCFKSA-N 0 0 315.417 2.449 10 30 DEEERN CS(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000302763108 186743379 /nfs/dbraw/zinc/74/33/79/186743379.db2.gz YSXLTPYGFRYRLI-UHFFFAOYSA-N 0 0 319.298 2.057 10 30 DEEERN C=CCSCCNC(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000595490069 358462946 /nfs/dbraw/zinc/46/29/46/358462946.db2.gz CPQOXULCPOTZRN-JTQLQIEISA-N 0 0 312.357 2.268 10 30 DEEERN C=CCSCCNC(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595491997 358464027 /nfs/dbraw/zinc/46/40/27/358464027.db2.gz JVLRJOJXJFMHIW-GJZGRUSLSA-N 0 0 322.478 2.350 10 30 DEEERN CC(=O)N1CCC[C@H](C(=O)N[C@@H](C#N)c2ccccc2Cl)C1 ZINC000172027495 198028391 /nfs/dbraw/zinc/02/83/91/198028391.db2.gz PMSJBKGUQLCPHP-WFASDCNBSA-N 0 0 319.792 2.279 10 30 DEEERN Cc1cc(N2CCC[C@@H](Nc3ccc(C#N)cc3)C2=O)n(C)n1 ZINC000172809584 198152091 /nfs/dbraw/zinc/15/20/91/198152091.db2.gz MJYIRNZHJXJINR-OAHLLOKOSA-N 0 0 309.373 2.208 10 30 DEEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)NC1CCOCC1)C2 ZINC000329300983 539918028 /nfs/dbraw/zinc/91/80/28/539918028.db2.gz VOFBFADSCYMEGB-CYBMUJFWSA-N 0 0 320.437 2.178 10 30 DEEERN Cc1nc([C@@H](C)NC(=O)c2cnc3c(c2)nnn3C)cs1 ZINC000329455155 539920858 /nfs/dbraw/zinc/92/08/58/539920858.db2.gz PTACLMKFOFTAKE-SSDOTTSWSA-N 0 0 302.363 2.194 10 30 DEEERN Cc1cc([C@@H]2CCCN(C(=O)N[C@H]3CCC[C@H]3C#N)C2)[nH]n1 ZINC000332733315 539939609 /nfs/dbraw/zinc/93/96/09/539939609.db2.gz YDWDMIIFEYJNEU-MJBXVCDLSA-N 0 0 301.394 2.299 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000330322954 539937893 /nfs/dbraw/zinc/93/78/93/539937893.db2.gz HFQRWTHKZKTDLI-CTHBEMJXSA-N 0 0 307.394 2.005 10 30 DEEERN C=CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000617617847 363203555 /nfs/dbraw/zinc/20/35/55/363203555.db2.gz WTXFEPWCIGDWFP-ZNMIVQPWSA-N 0 0 300.406 2.306 10 30 DEEERN C=CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000617617845 363203709 /nfs/dbraw/zinc/20/37/09/363203709.db2.gz WTXFEPWCIGDWFP-KFWWJZLASA-N 0 0 300.406 2.306 10 30 DEEERN N#Cc1ccc(CN[C@H](CN2CCOCC2)c2ccccc2)o1 ZINC000174250204 198310741 /nfs/dbraw/zinc/31/07/41/198310741.db2.gz BXZOPYLMQFUOGZ-GOSISDBHSA-N 0 0 311.385 2.314 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCCC1(C)C ZINC000174834546 198391598 /nfs/dbraw/zinc/39/15/98/198391598.db2.gz SBRCCLJABAUAMH-UHFFFAOYSA-N 0 0 318.348 2.177 10 30 DEEERN Cc1ccc(OCCN(C)CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000029152147 354107778 /nfs/dbraw/zinc/10/77/78/354107778.db2.gz JOULIDCDAMAUAH-SFHVURJKSA-N 0 0 317.433 2.360 10 30 DEEERN CCN(Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)C[C@H](C)C#N ZINC000049982224 354365401 /nfs/dbraw/zinc/36/54/01/354365401.db2.gz PGIIKRFLBZCFSK-SNVBAGLBSA-N 0 0 316.430 2.455 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(C)n([C@H]2CCCOC2)c1C ZINC000626448946 366191126 /nfs/dbraw/zinc/19/11/26/366191126.db2.gz RKJNQUXVDPUJAV-CABCVRRESA-N 0 0 306.406 2.123 10 30 DEEERN Cc1cc(S(=O)(=O)NC[C@@H](C)c2ccncc2)ccc1C#N ZINC000618178242 363405842 /nfs/dbraw/zinc/40/58/42/363405842.db2.gz RKYASPWPVCIOFV-CYBMUJFWSA-N 0 0 315.398 2.344 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cc3c(s2)CCC3)CCN1C1CC1 ZINC000370973195 283068213 /nfs/dbraw/zinc/06/82/13/283068213.db2.gz ODPCFRXXGZHMDE-ZDUSSCGKSA-N 0 0 301.415 2.049 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000075925705 355114665 /nfs/dbraw/zinc/11/46/65/355114665.db2.gz MJAWXGBRTWHBOZ-OAHLLOKOSA-N 0 0 323.481 2.131 10 30 DEEERN CC(C)c1nccc(N2CCN(c3ncccc3C#N)CC2)n1 ZINC000106463399 355723105 /nfs/dbraw/zinc/72/31/05/355723105.db2.gz UTRCJXABDYBMCO-UHFFFAOYSA-N 0 0 308.389 2.193 10 30 DEEERN CCOc1nc(C(=O)N[C@@H](C)c2ccccc2)cc(N)c1C#N ZINC000115332338 355767617 /nfs/dbraw/zinc/76/76/17/355767617.db2.gz UXZUEDFBNAETPP-NSHDSACASA-N 0 0 310.357 2.425 10 30 DEEERN CN(Cc1cc(C#N)n(CC(F)F)n1)C(=O)OC(C)(C)C ZINC000147867805 355914180 /nfs/dbraw/zinc/91/41/80/355914180.db2.gz PWYBSAGMKLADPB-UHFFFAOYSA-N 0 0 300.309 2.387 10 30 DEEERN C=CCNC(=O)CNC(=O)NCc1ccc(C(C)(C)CC)cc1 ZINC000180843271 356063657 /nfs/dbraw/zinc/06/36/57/356063657.db2.gz WLISEUXJDZGPGB-UHFFFAOYSA-N 0 0 317.433 2.476 10 30 DEEERN C=CCCOCCNC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000179332581 356021169 /nfs/dbraw/zinc/02/11/69/356021169.db2.gz RJTITKBRIVIDKT-LBPRGKRZSA-N 0 0 306.362 2.368 10 30 DEEERN N#Cc1cc(F)ccc1-n1cc(I)cn1 ZINC000079903166 191983744 /nfs/dbraw/zinc/98/37/44/191983744.db2.gz TYLFTQNXTUSICB-UHFFFAOYSA-N 0 0 313.073 2.488 10 30 DEEERN CC[C@H](CSC)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000181012690 356069770 /nfs/dbraw/zinc/06/97/70/356069770.db2.gz KSOZANUVVITLBD-CYBMUJFWSA-N 0 0 307.419 2.378 10 30 DEEERN C=CCCC[C@H](C)NC(=O)c1cnc2c(cnn2C)c1OC ZINC000181302430 356077587 /nfs/dbraw/zinc/07/75/87/356077587.db2.gz QTUJFQVTQHKINZ-NSHDSACASA-N 0 0 302.378 2.452 10 30 DEEERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(CC#N)C(C)C)c1C ZINC000080214640 192012744 /nfs/dbraw/zinc/01/27/44/192012744.db2.gz WYERIECMMPCXHA-UHFFFAOYSA-N 0 0 311.363 2.134 10 30 DEEERN Cc1cc([C@@H]2CN(C(=O)NC[C@H](C)C#N)CCO2)ccc1F ZINC000182834324 356148376 /nfs/dbraw/zinc/14/83/76/356148376.db2.gz XQMVSMCMSIAJSS-ABAIWWIYSA-N 0 0 305.353 2.377 10 30 DEEERN C[C@H](C#N)CNC(=O)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000182842901 356148560 /nfs/dbraw/zinc/14/85/60/356148560.db2.gz TVAXJFPFQBKGOC-CYBMUJFWSA-N 0 0 320.437 2.017 10 30 DEEERN C=C(C)[C@@H](CO)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000618326958 363459814 /nfs/dbraw/zinc/45/98/14/363459814.db2.gz AUFKZJTVSSVEKL-MRXNPFEDSA-N 0 0 305.809 2.271 10 30 DEEERN C[C@]1(c2ccccc2)CN(C(=O)c2ccnc(C#N)c2)CCO1 ZINC000193531049 356227195 /nfs/dbraw/zinc/22/71/95/356227195.db2.gz NLVNNHBIDZBZBN-GOSISDBHSA-N 0 0 307.353 2.341 10 30 DEEERN CCCN(CC(=O)OC(C)(C)C)C(=O)c1cc(C#N)cn1C ZINC000184131465 356186605 /nfs/dbraw/zinc/18/66/05/356186605.db2.gz VCXZKHFKYFXBIW-UHFFFAOYSA-N 0 0 305.378 2.091 10 30 DEEERN Cc1ccc(C(=O)NCC(=O)NCC#Cc2ccccc2)cc1C ZINC000198890037 356264842 /nfs/dbraw/zinc/26/48/42/356264842.db2.gz DCDFJTXJJMMFBD-UHFFFAOYSA-N 0 0 320.392 2.201 10 30 DEEERN O=C(NCC#Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000198889276 356264953 /nfs/dbraw/zinc/26/49/53/356264953.db2.gz MRJLRCQWCDFXQJ-UHFFFAOYSA-N 0 0 302.337 2.049 10 30 DEEERN COc1ccc(/C=N/NC(=S)Nc2nc(C)cc(C)n2)cc1 ZINC000005680754 181271560 /nfs/dbraw/zinc/27/15/60/181271560.db2.gz XQSYOIJUVYXBJB-CXUHLZMHSA-N 0 0 315.402 2.423 10 30 DEEERN CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc(C#N)cn1C ZINC000081079969 192223571 /nfs/dbraw/zinc/22/35/71/192223571.db2.gz NRNBZWAVCGDVPX-UHFFFAOYSA-N 0 0 318.283 2.386 10 30 DEEERN COC(=O)c1c(I)cc(C)cc1C#N ZINC000306599115 356404458 /nfs/dbraw/zinc/40/44/58/356404458.db2.gz HEXYWUOJORTVRV-UHFFFAOYSA-N 0 0 301.083 2.258 10 30 DEEERN C#C[C@](C)(CC)Nc1nc[n-]c(=O)c1I ZINC000306668726 356405534 /nfs/dbraw/zinc/40/55/34/356405534.db2.gz GBFGFPONCIIMMJ-SNVBAGLBSA-N 0 0 317.130 2.001 10 30 DEEERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)Cn1ccnc1 ZINC000328628305 356463833 /nfs/dbraw/zinc/46/38/33/356463833.db2.gz NNVUTILNKROBIH-GZBFAFLISA-N 0 0 317.393 2.222 10 30 DEEERN Cc1occc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328647601 356465852 /nfs/dbraw/zinc/46/58/52/356465852.db2.gz UCIHYNCDBYKQOL-KBPBESRZSA-N 0 0 318.352 2.295 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc(C(=O)NC)cc2OC)C1 ZINC000626671426 366260705 /nfs/dbraw/zinc/26/07/05/366260705.db2.gz HETGCMOIDPEBMI-GFCCVEGCSA-N 0 0 317.389 2.485 10 30 DEEERN N#C[C@@H]1COCCN1C(=O)c1ccc2nc(Cl)ccc2c1 ZINC000081739592 192318750 /nfs/dbraw/zinc/31/87/50/192318750.db2.gz NDXMOSMMQJMJOF-GFCCVEGCSA-N 0 0 301.733 2.253 10 30 DEEERN CN(c1ccc(C#N)cc1)S(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081695287 192314565 /nfs/dbraw/zinc/31/45/65/192314565.db2.gz SLRIEMAPZXNPJN-UHFFFAOYSA-N 0 0 322.777 2.014 10 30 DEEERN C=CCOCCCNC(=O)c1nc(SC)ncc1Cl ZINC000618513953 363512857 /nfs/dbraw/zinc/51/28/57/363512857.db2.gz HGVOIBZHNLHUKJ-UHFFFAOYSA-N 0 0 301.799 2.174 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(-c2ccco2)[nH]c1=O ZINC000618522425 363514540 /nfs/dbraw/zinc/51/45/40/363514540.db2.gz HBEVRPOWWHZMOC-UHFFFAOYSA-N 0 0 302.330 2.370 10 30 DEEERN C=CCOCCCNC(=O)c1ccnc(N2CC[C@@H](C)C2)c1 ZINC000618525405 363515477 /nfs/dbraw/zinc/51/54/77/363515477.db2.gz DFULXJWFWLEMKE-CQSZACIVSA-N 0 0 303.406 2.250 10 30 DEEERN C=CCOCCCNC(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000618523364 363515570 /nfs/dbraw/zinc/51/55/70/363515570.db2.gz FPMQBWLBEMPWEB-UHFFFAOYSA-N 0 0 304.321 2.402 10 30 DEEERN C=CCOCCCNC(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000618523822 363516109 /nfs/dbraw/zinc/51/61/09/363516109.db2.gz QZWFBEUQVISASM-UHFFFAOYSA-N 0 0 305.378 2.103 10 30 DEEERN CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C#N)cc1N ZINC000085917302 192539387 /nfs/dbraw/zinc/53/93/87/192539387.db2.gz LTXVXBJMNRUQGI-TZMCWYRMSA-N 0 0 307.419 2.388 10 30 DEEERN N#Cc1c(Br)cccc1NCC[C@]1(O)CCOC1 ZINC000404170213 356731701 /nfs/dbraw/zinc/73/17/01/356731701.db2.gz UAWBXLFJMUKEGB-ZDUSSCGKSA-N 0 0 311.179 2.274 10 30 DEEERN C=CCN(CCOC)c1nnc([C@@H]2Cc3ccccc3O2)n1C ZINC000581100912 357129801 /nfs/dbraw/zinc/12/98/01/357129801.db2.gz ZBIKGISPHSRAJS-HNNXBMFYSA-N 0 0 314.389 2.130 10 30 DEEERN C=CCn1c(N2CCO[C@@](C)(CC)C2)nnc1[C@]1(C)CCCO1 ZINC000581708616 357233940 /nfs/dbraw/zinc/23/39/40/357233940.db2.gz ZVGIZAVJHPKADO-IRXDYDNUSA-N 0 0 320.437 2.495 10 30 DEEERN COC(=O)C(C)(C)[C@@H]1CCCN(c2nc(C)cc(C#N)n2)C1 ZINC000588011670 357388090 /nfs/dbraw/zinc/38/80/90/357388090.db2.gz FYMZIQOVTYPAEJ-GFCCVEGCSA-N 0 0 302.378 2.072 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N(C[C@@H]2CCCO2)C2CCCC2)o1 ZINC000588116677 357395641 /nfs/dbraw/zinc/39/56/41/357395641.db2.gz PGUWQTTXGQEOQP-AWEZNQCLSA-N 0 0 324.402 2.264 10 30 DEEERN Cc1cc(C#N)cc(N2CCN(C(=O)Cc3ccccc3)CC2)n1 ZINC000587216328 357380986 /nfs/dbraw/zinc/38/09/86/357380986.db2.gz ALUPKPITNBTMKF-UHFFFAOYSA-N 0 0 320.396 2.153 10 30 DEEERN C=CCCOCC(=O)N1CSC[C@H]1C(=O)Nc1ccccc1 ZINC000589451612 357471012 /nfs/dbraw/zinc/47/10/12/357471012.db2.gz NXMZILUZDTVPNI-AWEZNQCLSA-N 0 0 320.414 2.119 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000618710805 363582787 /nfs/dbraw/zinc/58/27/87/363582787.db2.gz JMJZYMVJWGVIRP-ACJLOTCBSA-N 0 0 317.385 2.369 10 30 DEEERN C=CCn1c([C@H]2CCCS2)nnc1N1CC[C@](F)(C#N)C1 ZINC000591620363 357745360 /nfs/dbraw/zinc/74/53/60/357745360.db2.gz IJGPIAIHWARLAR-RISCZKNCSA-N 0 0 307.398 2.474 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593416031 358072982 /nfs/dbraw/zinc/07/29/82/358072982.db2.gz UIWUINZWAHSYPZ-FENNVDPPSA-N 0 0 318.442 2.089 10 30 DEEERN C=C(C)COc1cc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)ccc1OC ZINC000593687167 358123719 /nfs/dbraw/zinc/12/37/19/358123719.db2.gz JFFFUYCOTMUSPO-DFFLPILJSA-N 0 0 321.442 2.355 10 30 DEEERN C=CCCn1cc(CNc2cc(C(=O)OC)ccc2F)nn1 ZINC000594548673 358292696 /nfs/dbraw/zinc/29/26/96/358292696.db2.gz XQKYICOTFJHLCI-UHFFFAOYSA-N 0 0 304.325 2.392 10 30 DEEERN C=CCOC[C@H](NCc1ccc(C(C)(C)C#N)cc1)C(=O)OC ZINC000594615259 358306877 /nfs/dbraw/zinc/30/68/77/358306877.db2.gz QREKWJVHEVMRDQ-INIZCTEOSA-N 0 0 316.401 2.322 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000594622915 358307799 /nfs/dbraw/zinc/30/77/99/358307799.db2.gz WIVJMJXBCCSVFU-UHFFFAOYSA-N 0 0 313.401 2.231 10 30 DEEERN C=CCNC(=O)NC[C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594686496 358317780 /nfs/dbraw/zinc/31/77/80/358317780.db2.gz NOGLEAQDJXDDMW-AWEZNQCLSA-N 0 0 302.374 2.378 10 30 DEEERN Cc1cc(S(=O)(=O)NC[C@]2(C)CC2(F)F)ccc1C#N ZINC000594856507 358349846 /nfs/dbraw/zinc/34/98/46/358349846.db2.gz GPUBPNCUHRWIQX-LBPRGKRZSA-N 0 0 300.330 2.190 10 30 DEEERN C=CCCSCCNC(=O)NCCNC(=O)c1ccccc1 ZINC000595445481 358450802 /nfs/dbraw/zinc/45/08/02/358450802.db2.gz MKLPAXGJXPIHEC-UHFFFAOYSA-N 0 0 321.446 2.025 10 30 DEEERN C=CCCSCCNC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000595726684 358533766 /nfs/dbraw/zinc/53/37/66/358533766.db2.gz YJFZCELIRJMSCW-NSHDSACASA-N 0 0 312.357 2.004 10 30 DEEERN C=CC[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596198900 358637331 /nfs/dbraw/zinc/63/73/31/358637331.db2.gz NMAZICHNLOMWKT-MRVPVSSYSA-N 0 0 314.725 2.384 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000185831267 199892904 /nfs/dbraw/zinc/89/29/04/199892904.db2.gz LHAKAGRBNGCJJC-AWEZNQCLSA-N 0 0 317.364 2.295 10 30 DEEERN C=CCOCCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000598206481 359122074 /nfs/dbraw/zinc/12/20/74/359122074.db2.gz JAUGLMGCXNLLQB-UHFFFAOYSA-N 0 0 314.288 2.124 10 30 DEEERN C[C@]1(C#N)CCN(C(=O)c2nscc2Br)C1 ZINC000598420088 359193716 /nfs/dbraw/zinc/19/37/16/359193716.db2.gz OLDVLSUVASKKBD-SNVBAGLBSA-N 0 0 300.181 2.281 10 30 DEEERN C=CC(C)(C)CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000599117304 359406548 /nfs/dbraw/zinc/40/65/48/359406548.db2.gz RNSIOTDXLDGNDR-UHFFFAOYSA-N 0 0 313.379 2.256 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000186588685 199978697 /nfs/dbraw/zinc/97/86/97/199978697.db2.gz YEHJQQQSKBHZEI-UAGQMJEPSA-N 0 0 318.417 2.391 10 30 DEEERN N#Cc1cccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000599403226 359490271 /nfs/dbraw/zinc/49/02/71/359490271.db2.gz AKNBGLMRSJGOIN-OLZOCXBDSA-N 0 0 308.428 2.217 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000186655905 199987320 /nfs/dbraw/zinc/98/73/20/199987320.db2.gz HSCBNJZSIJFAAI-MRVPVSSYSA-N 0 0 310.202 2.209 10 30 DEEERN C=CCCNC(=O)Nc1ccc(O[C@H](C)C(=O)OC)c(F)c1 ZINC000599871522 359615654 /nfs/dbraw/zinc/61/56/54/359615654.db2.gz RBRHUQMRQCYISS-SNVBAGLBSA-N 0 0 310.325 2.464 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1csc(Br)c1C ZINC000187364325 200101731 /nfs/dbraw/zinc/10/17/31/200101731.db2.gz JDBGORJOSUXKTC-QMMMGPOBSA-N 0 0 304.209 2.486 10 30 DEEERN CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000187728565 200150615 /nfs/dbraw/zinc/15/06/15/200150615.db2.gz WLIWANDMMWLBBV-GJZGRUSLSA-N 0 0 309.373 2.429 10 30 DEEERN C=CC[C@H](C(=O)N1CC[C@](OC)(C(=O)OC)C1)c1ccccc1 ZINC000600294269 359714240 /nfs/dbraw/zinc/71/42/40/359714240.db2.gz MJAJYRUHJSWLJU-MAUKXSAKSA-N 0 0 317.385 2.137 10 30 DEEERN C=C[C@](C)(O)CC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 ZINC000600477811 359749645 /nfs/dbraw/zinc/74/96/45/359749645.db2.gz YBNXWNMCKJYJAP-KRWDZBQOSA-N 0 0 314.385 2.007 10 30 DEEERN Cc1ccc(-c2cnc(N3CCC[C@@H](O)C3)nc2)cc1CC#N ZINC000600795231 359831174 /nfs/dbraw/zinc/83/11/74/359831174.db2.gz WAJIKZGNHRKSDO-QGZVFWFLSA-N 0 0 308.385 2.479 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000627686587 366591667 /nfs/dbraw/zinc/59/16/67/366591667.db2.gz SNFVVKSIPFWBCV-UHFFFAOYSA-N 0 0 315.417 2.336 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000627688651 366592654 /nfs/dbraw/zinc/59/26/54/366592654.db2.gz PGJCCTWFSFXJOX-UHFFFAOYSA-N 0 0 317.389 2.302 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2cccc([N+](=O)[O-])c2C)C1=O ZINC000601068619 359911339 /nfs/dbraw/zinc/91/13/39/359911339.db2.gz NSOMBMDSRAMOLU-LBPRGKRZSA-N 0 0 303.318 2.290 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)ccc2OC)C1 ZINC000627733724 366603238 /nfs/dbraw/zinc/60/32/38/366603238.db2.gz BJHXWLPZXGXITK-LLVKDONJSA-N 0 0 306.337 2.197 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2CCC(C)C)C1 ZINC000627733894 366603657 /nfs/dbraw/zinc/60/36/57/366603657.db2.gz GTKOQWDJSKJCAX-CQSZACIVSA-N 0 0 318.421 2.292 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(OCC)c2)C1 ZINC000627735202 366604660 /nfs/dbraw/zinc/60/46/60/366604660.db2.gz NHYIDOALTHJUOR-CYBMUJFWSA-N 0 0 302.374 2.448 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC)c(F)c2)C1 ZINC000627736209 366604879 /nfs/dbraw/zinc/60/48/79/366604879.db2.gz QDHFCGFADKEXJR-LLVKDONJSA-N 0 0 306.337 2.197 10 30 DEEERN C=C(C)C[C@@H](NC(=O)COc1ccc(C)cc1C)C(=O)OC ZINC000601770220 360140326 /nfs/dbraw/zinc/14/03/26/360140326.db2.gz AZPSVYQVRDKRGC-CQSZACIVSA-N 0 0 305.374 2.306 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C(=O)OC ZINC000601776975 360143454 /nfs/dbraw/zinc/14/34/54/360143454.db2.gz DHSFSVWSQDDGRD-GXTWGEPZSA-N 0 0 323.776 2.268 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(-c2ccc(C)o2)n[nH]1)C(=O)OC ZINC000601777665 360143660 /nfs/dbraw/zinc/14/36/60/360143660.db2.gz JIPLFMPVAGRREO-CYBMUJFWSA-N 0 0 317.345 2.216 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000601782828 360146716 /nfs/dbraw/zinc/14/67/16/360146716.db2.gz RCPDIKCWDAWTKP-FZMZJTMJSA-N 0 0 320.345 2.322 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CNc1cccc(Cl)c1)C(=O)OC ZINC000601784294 360147480 /nfs/dbraw/zinc/14/74/80/360147480.db2.gz CKLJCWDXZQCTKK-CYBMUJFWSA-N 0 0 310.781 2.376 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)OC ZINC000601784932 360148770 /nfs/dbraw/zinc/14/87/70/360148770.db2.gz IQUWBTLOPIQTOI-CYBMUJFWSA-N 0 0 306.318 2.141 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(N(C)C)c(F)c1)C(=O)OC ZINC000601786892 360149477 /nfs/dbraw/zinc/14/94/77/360149477.db2.gz USOJRUIPJGVOGW-CYBMUJFWSA-N 0 0 308.353 2.129 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cnc([C@H]2CCCO2)s1)C(=O)OC ZINC000601787237 360149692 /nfs/dbraw/zinc/14/96/92/360149692.db2.gz LEBXOYKIWGWDBN-WDEREUQCSA-N 0 0 324.402 2.232 10 30 DEEERN C=C(C)C[C@H](NC(=O)C[C@@H](C)c1c(C)n[nH]c1C)C(=O)OC ZINC000601788045 360150522 /nfs/dbraw/zinc/15/05/22/360150522.db2.gz OXJRMHOQZAAKCV-MFKMUULPSA-N 0 0 307.394 2.144 10 30 DEEERN C=CCCOCCCCC(=O)N1C2CCC1(C(=O)OC)CC2 ZINC000601831350 360166902 /nfs/dbraw/zinc/16/69/02/360166902.db2.gz OIKNQUJDIBNSPQ-UHFFFAOYSA-N 0 0 309.406 2.446 10 30 DEEERN C=CCn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC000601855233 360175601 /nfs/dbraw/zinc/17/56/01/360175601.db2.gz QLVLCKRXHLNHDM-MELADBBJSA-N 0 0 301.394 2.444 10 30 DEEERN C=CCSCCNC(=O)C(=O)NCc1csc(C)c1C ZINC000602238955 360321129 /nfs/dbraw/zinc/32/11/29/360321129.db2.gz KIEAPJFHKDLBIO-UHFFFAOYSA-N 0 0 312.460 2.017 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCC1(SC)CCC1 ZINC000602260304 360325494 /nfs/dbraw/zinc/32/54/94/360325494.db2.gz KHROMNIMTBDZDZ-UHFFFAOYSA-N 0 0 312.479 2.497 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ncccc1CSC)C(=O)OC ZINC000602416957 360363348 /nfs/dbraw/zinc/36/33/48/360363348.db2.gz ZEBLJAFESPZYBA-GFCCVEGCSA-N 0 0 308.403 2.182 10 30 DEEERN CO[C@H](C)CNc1cc(NC[C@H](C)OC)cc(C#N)c1[N+](=O)[O-] ZINC000189919827 200470315 /nfs/dbraw/zinc/47/03/15/200470315.db2.gz OQOZWLCHTJWTJO-WDEREUQCSA-N 0 0 322.365 2.360 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000619177044 363726059 /nfs/dbraw/zinc/72/60/59/363726059.db2.gz AUHJFGXBZKSCKJ-IKGGRYGDSA-N 0 0 322.449 2.265 10 30 DEEERN CC(=O)N1CCC[C@@H]1C(=O)N(CC#N)c1ccc(F)cc1C ZINC000602391715 360356054 /nfs/dbraw/zinc/35/60/54/360356054.db2.gz DUIKDHJVHNLCJL-OAHLLOKOSA-N 0 0 303.337 2.002 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)NCCOCC(=O)OC(C)(C)C ZINC000602396519 360356935 /nfs/dbraw/zinc/35/69/35/360356935.db2.gz ZAPYNFUFQLRADE-ZDUSSCGKSA-N 0 0 312.410 2.095 10 30 DEEERN CO[C@@H]1C[C@H](c2nc(C)no2)N(c2ncc(C#N)cc2Cl)C1 ZINC000190085229 200485357 /nfs/dbraw/zinc/48/53/57/200485357.db2.gz IBFOOQQJNOQHFB-ZYHUDNBSSA-N 0 0 319.752 2.265 10 30 DEEERN N#CC1CCC(CNC(=O)CNC(=O)C2CCCCC2)CC1 ZINC000441700225 238031084 /nfs/dbraw/zinc/03/10/84/238031084.db2.gz JSMOEUZMOJJBFY-UHFFFAOYSA-N 0 0 305.422 2.129 10 30 DEEERN C=CCCOCCCCC(=O)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000603097483 360699125 /nfs/dbraw/zinc/69/91/25/360699125.db2.gz ROCFQWIHDJOOCF-HZPDHXFCSA-N 0 0 307.438 2.194 10 30 DEEERN C=CCCC[C@@H](C)n1cc(CN(C)c2cnc(C#N)cn2)nn1 ZINC000603264629 360770035 /nfs/dbraw/zinc/77/00/35/360770035.db2.gz JXZQLHUXNMSDHP-CYBMUJFWSA-N 0 0 311.393 2.493 10 30 DEEERN CC(C)c1nn(C)cc1C(=O)NCc1ccc(C#N)cc1F ZINC000609229295 361290755 /nfs/dbraw/zinc/29/07/55/361290755.db2.gz CSUNNKJTENWKLL-UHFFFAOYSA-N 0 0 300.337 2.484 10 30 DEEERN C=C(C)[C@H](CO)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000619297705 363758773 /nfs/dbraw/zinc/75/87/73/363758773.db2.gz HSTNEQDPLHLKLX-IRXDYDNUSA-N 0 0 319.836 2.459 10 30 DEEERN COc1cc2c(cc1CNC(=O)c1ccnc(C#N)c1)O[C@H](C)C2 ZINC000193624141 201090157 /nfs/dbraw/zinc/09/01/57/201090157.db2.gz WZTNHMZYHPTSLB-LLVKDONJSA-N 0 0 323.352 2.215 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1cn(CC2(CC)COC2)nn1 ZINC000628312234 366805992 /nfs/dbraw/zinc/80/59/92/366805992.db2.gz ULTKPFQGOFDBLC-UHFFFAOYSA-N 0 0 306.410 2.037 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1cnc2scc(C)n2c1=O ZINC000628314479 366806510 /nfs/dbraw/zinc/80/65/10/366806510.db2.gz BCIJVBVSBYXTII-UHFFFAOYSA-N 0 0 305.403 2.397 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000628318448 366807569 /nfs/dbraw/zinc/80/75/69/366807569.db2.gz FLLZERJAVKWSGW-UHFFFAOYSA-N 0 0 324.446 2.269 10 30 DEEERN Cc1nc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)n(-c2ccc(C#N)cc2)n1 ZINC000610571208 361425174 /nfs/dbraw/zinc/42/51/74/361425174.db2.gz ZDSLMOUNSALDGD-ZSHCYNCHSA-N 0 0 321.384 2.244 10 30 DEEERN CC1(CNC(=O)NCc2ccc(C#N)cc2F)CCOCC1 ZINC000610651480 361437495 /nfs/dbraw/zinc/43/74/95/361437495.db2.gz OCIDYWIVHOBKSP-UHFFFAOYSA-N 0 0 305.353 2.313 10 30 DEEERN COC(=O)C(C)(C)[C@H](NC(=O)CSCC#N)c1ccccc1 ZINC000610823445 361472429 /nfs/dbraw/zinc/47/24/29/361472429.db2.gz CKNIILSUHIZSEX-CQSZACIVSA-N 0 0 320.414 2.300 10 30 DEEERN N#Cc1cccc(CNC(=O)CSC[C@@H]2CCCOC2)c1 ZINC000610897873 361488748 /nfs/dbraw/zinc/48/87/48/361488748.db2.gz FMYSEEXOVXNKGA-OAHLLOKOSA-N 0 0 304.415 2.334 10 30 DEEERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)Cc1cccc(C#N)c1 ZINC000611224746 361554245 /nfs/dbraw/zinc/55/42/45/361554245.db2.gz UWKHKGHFWHNBRD-INIZCTEOSA-N 0 0 324.384 2.041 10 30 DEEERN N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2=CCC2)cc1 ZINC000611540010 361626096 /nfs/dbraw/zinc/62/60/96/361626096.db2.gz TVOPWWVCHUWVSA-CQSZACIVSA-N 0 0 313.382 2.118 10 30 DEEERN C=CCOCCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000611541572 361626137 /nfs/dbraw/zinc/62/61/37/361626137.db2.gz SGAHRFHOADMWGG-UHFFFAOYSA-N 0 0 307.350 2.348 10 30 DEEERN C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)[C@@H]1CCCOC1 ZINC000611545700 361627281 /nfs/dbraw/zinc/62/72/81/361627281.db2.gz LVUBEMWDFJZMCS-BXUZGUMPSA-N 0 0 305.353 2.312 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1(CCOC)CC1 ZINC000611664572 361654446 /nfs/dbraw/zinc/65/44/46/361654446.db2.gz BVOHNGSILFGAKK-CABCVRRESA-N 0 0 322.449 2.170 10 30 DEEERN C=CCCC1(CNC(=O)C(=O)NC[C@@H]2CC[C@H](C)O2)CCCC1 ZINC000611950793 361711649 /nfs/dbraw/zinc/71/16/49/361711649.db2.gz XSBDQAMHDMIPHS-GJZGRUSLSA-N 0 0 322.449 2.313 10 30 DEEERN C=CCCC1(CNC(=O)C(=O)N[C@@H]2CCO[C@H]2CC)CCCC1 ZINC000611959077 361712675 /nfs/dbraw/zinc/71/26/75/361712675.db2.gz AEHUDRWQVHLCFW-CABCVRRESA-N 0 0 322.449 2.313 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000619557350 363825583 /nfs/dbraw/zinc/82/55/83/363825583.db2.gz HCTAJJKZNUXSOK-SWLSCSKDSA-N 0 0 321.348 2.323 10 30 DEEERN N#CCN1CCC[C@@H](CNC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000448174732 239278122 /nfs/dbraw/zinc/27/81/22/239278122.db2.gz CHKANOQHKMDGPE-ZDUSSCGKSA-N 0 0 323.799 2.373 10 30 DEEERN C=C[C@@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)C(=O)OC ZINC000619702639 363859615 /nfs/dbraw/zinc/85/96/15/363859615.db2.gz PCCMZNUGYJOFBS-CQSZACIVSA-N 0 0 305.374 2.459 10 30 DEEERN C=C[C@H](C(=O)OC)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000619722847 363866867 /nfs/dbraw/zinc/86/68/67/363866867.db2.gz DMPYKSJMZQSDRY-DZGCQCFKSA-N 0 0 303.406 2.126 10 30 DEEERN CC(C)n1ncc2cc(NC(=O)[C@@H](C)n3cnc(C#N)n3)ccc21 ZINC000619593146 363836400 /nfs/dbraw/zinc/83/64/00/363836400.db2.gz SONXCHVJSFBLRQ-LLVKDONJSA-N 0 0 323.360 2.280 10 30 DEEERN Cn1nccc1[C@H]1CCCCN1C(=O)CNc1ccc(C#N)cc1 ZINC000619618324 363841300 /nfs/dbraw/zinc/84/13/00/363841300.db2.gz FAFDYYICFXPWSR-QGZVFWFLSA-N 0 0 323.400 2.457 10 30 DEEERN Cn1nccc1[C@H]1CCCCN1C(=O)c1cc(O)cc(C#N)c1 ZINC000619618347 363841420 /nfs/dbraw/zinc/84/14/20/363841420.db2.gz NICCJYOJBRCCOG-MRXNPFEDSA-N 0 0 310.357 2.365 10 30 DEEERN C=C[C@@H](C(=O)OC)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000619782473 363875613 /nfs/dbraw/zinc/87/56/13/363875613.db2.gz VSUZLMTZFVGVNM-INIZCTEOSA-N 0 0 318.392 2.380 10 30 DEEERN C=CCC1(C(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)CCOCC1 ZINC000620009709 363932557 /nfs/dbraw/zinc/93/25/57/363932557.db2.gz DUDSLTJICZBVND-AWEZNQCLSA-N 0 0 322.449 2.123 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1-n1cnnn1 ZINC000620314585 364013827 /nfs/dbraw/zinc/01/38/27/364013827.db2.gz MKPIBGHXEPYWPR-PHIMTYICSA-N 0 0 301.375 2.047 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCN(c2ccc(OCC)nn2)CC1 ZINC000620828548 364170688 /nfs/dbraw/zinc/17/06/88/364170688.db2.gz IOWLOPWLCKRYKY-AWEZNQCLSA-N 0 0 318.421 2.126 10 30 DEEERN C=CCOCCCC(=O)N[C@@H](c1ccncc1)C1(CO)CCC1 ZINC000621031605 364231166 /nfs/dbraw/zinc/23/11/66/364231166.db2.gz XBAONGNMOGDRGO-KRWDZBQOSA-N 0 0 318.417 2.384 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CCC(=O)Nc2nnc(C3CC3)o2)C1 ZINC000628486279 366864093 /nfs/dbraw/zinc/86/40/93/366864093.db2.gz FTXHSFXTHYKJTJ-LLVKDONJSA-N 0 0 318.377 2.090 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@H](C)n2nnc(-c3ccccc3)n2)C1 ZINC000628489397 366865030 /nfs/dbraw/zinc/86/50/30/366865030.db2.gz VUQDDWPNVQZFJA-UONOGXRCSA-N 0 0 311.389 2.326 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2nn(CC)c3ccccc3c2=O)C1 ZINC000628487989 366865198 /nfs/dbraw/zinc/86/51/98/366865198.db2.gz PJRVUPBSGXBPRT-ZDUSSCGKSA-N 0 0 311.385 2.455 10 30 DEEERN C=CC[C@H]1CCN(C(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)C1 ZINC000628489396 366865444 /nfs/dbraw/zinc/86/54/44/366865444.db2.gz VUQDDWPNVQZFJA-KGLIPLIRSA-N 0 0 311.389 2.326 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NCC3CC(C)C3)cc2C1=O ZINC000622242947 364724449 /nfs/dbraw/zinc/72/44/49/364724449.db2.gz PVMMUHXPTKNFEU-UHFFFAOYSA-N 0 0 312.369 2.245 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1Cc2ccccc2OC[C@H]1C ZINC000622843697 364810423 /nfs/dbraw/zinc/81/04/23/364810423.db2.gz GJWXIFLKHQLPHQ-CZUORRHYSA-N 0 0 316.401 2.267 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)C1 ZINC000623547654 365072068 /nfs/dbraw/zinc/07/20/68/365072068.db2.gz WRVBAMINRZHMOV-SOUVJXGZSA-N 0 0 307.438 2.384 10 30 DEEERN CSC1(C#N)CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000091470680 193060651 /nfs/dbraw/zinc/06/06/51/193060651.db2.gz MBPIUPZLYFXGGE-UHFFFAOYSA-N 0 0 310.444 2.238 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCC2(CC(N)=O)CCCCC2)C1 ZINC000624389729 365406220 /nfs/dbraw/zinc/40/62/20/365406220.db2.gz IYZNVCQDHRCPTQ-AWEZNQCLSA-N 0 0 307.438 2.420 10 30 DEEERN COc1ccc([C@@H](O)[C@@]2(C#N)CCOC2)cc1Br ZINC000091879899 193122019 /nfs/dbraw/zinc/12/20/19/193122019.db2.gz NCGYIWGVSQCPFH-CHWSQXEVSA-N 0 0 312.163 2.421 10 30 DEEERN COc1ccc([C@H](O)[C@]2(C#N)CCOC2)cc1Br ZINC000091879896 193122065 /nfs/dbraw/zinc/12/20/65/193122065.db2.gz NCGYIWGVSQCPFH-STQMWFEESA-N 0 0 312.163 2.421 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@H]1CCO[C@H]1c1nc(C)no1 ZINC000624456328 365427727 /nfs/dbraw/zinc/42/77/27/365427727.db2.gz CPCCZACNONXMNU-NWDGAFQWSA-N 0 0 308.382 2.110 10 30 DEEERN C=CC(C)(C)CCNC(=O)N(C)[C@H](C)CS(=O)(=O)CC ZINC000624465924 365431352 /nfs/dbraw/zinc/43/13/52/365431352.db2.gz AEAJLXCGHBCMRH-GFCCVEGCSA-N 0 0 304.456 2.053 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](CCc1ccccc1)C(F)F ZINC000624619765 365492499 /nfs/dbraw/zinc/49/24/99/365492499.db2.gz LDVHFGFIEVKNPC-UONOGXRCSA-N 0 0 312.360 2.489 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCC(C)(C)C(=O)N1CCCC1)OCC ZINC000629064718 367065982 /nfs/dbraw/zinc/06/59/82/367065982.db2.gz YTPJFLVUXHDLSN-CQSZACIVSA-N 0 0 310.438 2.123 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CCO[C@](C)(COC)C1 ZINC000629907848 367371728 /nfs/dbraw/zinc/37/17/28/367371728.db2.gz QWJCDHZJTRGBIC-KRWDZBQOSA-N 0 0 305.374 2.129 10 30 DEEERN C=CCC1(C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)CCCC1 ZINC000450784680 242220206 /nfs/dbraw/zinc/22/02/06/242220206.db2.gz KDYIRJRWWBCYAN-UHFFFAOYSA-N 0 0 322.449 2.219 10 30 DEEERN C=CCNC(=O)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000630395673 367632552 /nfs/dbraw/zinc/63/25/52/367632552.db2.gz VGXRCZJRUXSCLS-ZYHUDNBSSA-N 0 0 300.280 2.406 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cc(NC(C)=O)ccc2C)C1=O ZINC000630513258 367700031 /nfs/dbraw/zinc/70/00/31/367700031.db2.gz NQEVUKUKVBXUDJ-CYBMUJFWSA-N 0 0 301.346 2.344 10 30 DEEERN N#CCc1ccc(S(=O)(=O)Nc2ccc(F)c(N)c2)cc1 ZINC000092130560 193165863 /nfs/dbraw/zinc/16/58/63/193165863.db2.gz HNHZSVHERQKQMX-UHFFFAOYSA-N 0 0 305.334 2.275 10 30 DEEERN C=C1CC(C)(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000630761208 367833254 /nfs/dbraw/zinc/83/32/54/367833254.db2.gz WIRFQOXQHBDYQI-UHFFFAOYSA-N 0 0 314.385 2.454 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H](C)c2ccc3c(c2)OCO3)C1=O ZINC000630964707 367939262 /nfs/dbraw/zinc/93/92/62/367939262.db2.gz JZFSTTFVLMHBKA-JQWIXIFHSA-N 0 0 302.330 2.363 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H](C)c2ccc3c(c2)OCO3)C1=O ZINC000630964709 367939306 /nfs/dbraw/zinc/93/93/06/367939306.db2.gz JZFSTTFVLMHBKA-ZYHUDNBSSA-N 0 0 302.330 2.363 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccccc2Cn2cccn2)C1=O ZINC000630964912 367939308 /nfs/dbraw/zinc/93/93/08/367939308.db2.gz MGBZFONQMHPGQC-MRXNPFEDSA-N 0 0 324.384 2.318 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2cccc(NC(C)=O)c2)C1=O ZINC000630967725 367941540 /nfs/dbraw/zinc/94/15/40/367941540.db2.gz PJZSRNLIMZJXJO-AWEZNQCLSA-N 0 0 301.346 2.032 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCc2ccc3c(c2)CCO3)C1=O ZINC000630971785 367943893 /nfs/dbraw/zinc/94/38/93/367943893.db2.gz CVOHJJLUJHGNIN-CQSZACIVSA-N 0 0 300.358 2.051 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccc(F)c(COC)c2)C1=O ZINC000630974964 367945385 /nfs/dbraw/zinc/94/53/85/367945385.db2.gz YPIAQURAQJVPEE-AWEZNQCLSA-N 0 0 306.337 2.359 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@@H](C)Oc2cccc(F)c2)C1=O ZINC000630978427 367947484 /nfs/dbraw/zinc/94/74/84/367947484.db2.gz ZWBWSKYCWDQGBW-BXUZGUMPSA-N 0 0 306.337 2.480 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCCOc2cccc(OC)c2)C1=O ZINC000630978516 367947858 /nfs/dbraw/zinc/94/78/58/367947858.db2.gz XWXBKPDSJYHSEJ-HNNXBMFYSA-N 0 0 318.373 2.351 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2CCN(c3ccc(F)cc3)C2)C1=O ZINC000630983329 367949383 /nfs/dbraw/zinc/94/93/83/367949383.db2.gz AFLQDUTYIGUMFH-CABCVRRESA-N 0 0 317.364 2.291 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@@H]2CSc3ccccc3O2)C1=O ZINC000630986644 367952143 /nfs/dbraw/zinc/95/21/43/367952143.db2.gz OJUYYKUPUWPMFV-VXGBXAGGSA-N 0 0 318.398 2.426 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2C[C@H]2c2cccc(OC)c2)C1=O ZINC000630986032 367952174 /nfs/dbraw/zinc/95/21/74/367952174.db2.gz XXGKJNXGXCHHKR-RRFJBIMHSA-N 0 0 300.358 2.438 10 30 DEEERN C=CCn1c(SC[C@H]2CCc3ncnn32)nnc1C1CC1 ZINC000631003351 367961856 /nfs/dbraw/zinc/96/18/56/367961856.db2.gz LFPDSHGIECLQQI-LLVKDONJSA-N 0 0 302.407 2.213 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000631259947 368108208 /nfs/dbraw/zinc/10/82/08/368108208.db2.gz GTYVQULSSSHTJC-CYBMUJFWSA-N 0 0 302.349 2.404 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN=c1cc(-c2ccccc2)n2[nH]cnc2n1 ZINC000631309661 368137432 /nfs/dbraw/zinc/13/74/32/368137432.db2.gz TVHCWAXCDINFBE-HOCLYGCPSA-N 0 0 321.384 2.216 10 30 DEEERN C=CCOc1ccc(CNC(=O)c2cn(CC3CC3)nn2)cc1 ZINC000451671486 243286241 /nfs/dbraw/zinc/28/62/41/243286241.db2.gz YYZBRUFVVUSYCG-UHFFFAOYSA-N 0 0 312.373 2.183 10 30 DEEERN CN(CCc1cccs1)S(=O)(=O)c1ccc(N)cc1C#N ZINC000093267149 193222536 /nfs/dbraw/zinc/22/25/36/193222536.db2.gz MOZVPHWQPAGEFJ-UHFFFAOYSA-N 0 0 321.427 2.065 10 30 DEEERN C#CCNC(=O)[C@H](C)Sc1cc(Br)ccc1N ZINC000093427175 193250065 /nfs/dbraw/zinc/25/00/65/193250065.db2.gz ITLQDLWQGRXPQH-QMMMGPOBSA-N 0 0 313.220 2.261 10 30 DEEERN CCCc1cc(=O)[nH]c(S[C@@H]2CCC[C@@](C#N)(NC)C2)n1 ZINC000093746882 193299920 /nfs/dbraw/zinc/29/99/20/193299920.db2.gz QIXFSORNRQHLRZ-IUODEOHRSA-N 0 0 306.435 2.239 10 30 DEEERN CN[C@@]1(C#N)CC[C@@H](Sc2ccc(S(C)(=O)=O)cc2)C1 ZINC000093807104 193310006 /nfs/dbraw/zinc/31/00/06/193310006.db2.gz MZCBSUCEIZZNLO-OCCSQVGLSA-N 0 0 310.444 2.216 10 30 DEEERN N#C[C@H]1CN(CC(=O)c2cc(Cl)sc2Cl)CCO1 ZINC000093933369 193329360 /nfs/dbraw/zinc/32/93/60/193329360.db2.gz AOBKQAXOZUQJBQ-ZETCQYMHSA-N 0 0 305.186 2.462 10 30 DEEERN O=C(NCc1ccc(F)c(F)c1)c1csc(C#CCO)c1 ZINC000093974526 193332935 /nfs/dbraw/zinc/33/29/35/193332935.db2.gz UIFOASHTXYQUHU-UHFFFAOYSA-N 0 0 307.321 2.300 10 30 DEEERN CC[C@@H]1CO[C@@H](C)CN1C(=O)c1csc(C#CCCO)c1 ZINC000093974258 193333013 /nfs/dbraw/zinc/33/30/13/193333013.db2.gz JPFGLAYIXNVNSG-GXTWGEPZSA-N 0 0 307.415 2.122 10 30 DEEERN Cc1cc(C(=O)Nc2nc(C)cc(C)n2)sc1C#CCO ZINC000094533928 193377259 /nfs/dbraw/zinc/37/72/59/193377259.db2.gz QHWBLVQBZWIYLZ-UHFFFAOYSA-N 0 0 301.371 2.059 10 30 DEEERN Cc1cc(C(=O)NCc2ccc(C)nc2)sc1C#CCO ZINC000094535285 193377699 /nfs/dbraw/zinc/37/76/99/193377699.db2.gz JZPPMTMLJBVWQI-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN Cc1cc(C(=O)NCc2ncccc2C)sc1C#CCO ZINC000094535376 193377732 /nfs/dbraw/zinc/37/77/32/193377732.db2.gz RAUPZMWXPQNULB-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN N#CCN(CC#N)C(=O)c1c(F)cc(Br)cc1F ZINC000094715782 193392921 /nfs/dbraw/zinc/39/29/21/193392921.db2.gz NZENWVYMTRYZMU-UHFFFAOYSA-N 0 0 314.089 2.217 10 30 DEEERN CCc1ccsc1CNS(=O)(=O)c1ccc(C#N)cc1N ZINC000094873905 193404395 /nfs/dbraw/zinc/40/43/95/193404395.db2.gz QYRQUGNXJRCDDG-UHFFFAOYSA-N 0 0 321.427 2.243 10 30 DEEERN CCN(C[C@@H](C)C#N)S(=O)(=O)c1cc(N)c(Cl)cc1C ZINC000094832359 193401429 /nfs/dbraw/zinc/40/14/29/193401429.db2.gz PRFSAMYWCXBALW-VIFPVBQESA-N 0 0 315.826 2.401 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)Nc1ccc(CC)c(OC)c1 ZINC000453575496 245186513 /nfs/dbraw/zinc/18/65/13/245186513.db2.gz NVNRWKZCOJWKAE-UHFFFAOYSA-N 0 0 302.374 2.397 10 30 DEEERN C=C(C)CCNC(=O)C(=O)Nc1cc(-c2ccsc2)nn1C ZINC000453886957 245341200 /nfs/dbraw/zinc/34/12/00/245341200.db2.gz XAIZZUKRPKNNEN-UHFFFAOYSA-N 0 0 318.402 2.170 10 30 DEEERN C=C[C@](C)(CC)C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000135084442 335019495 /nfs/dbraw/zinc/01/94/95/335019495.db2.gz SQVYNNMONOBJJH-CXAGYDPISA-N 0 0 317.437 2.206 10 30 DEEERN C=CCOc1cccc(NC(=O)N2CC[C@@](O)(C(F)F)C2)c1 ZINC000454580412 245940628 /nfs/dbraw/zinc/94/06/28/245940628.db2.gz NWUJHSOSMOGENH-HNNXBMFYSA-N 0 0 312.316 2.485 10 30 DEEERN C=CCNC(=O)CSc1ccc(Br)cc1N ZINC000037205812 182872496 /nfs/dbraw/zinc/87/24/96/182872496.db2.gz OONIKSRAWQQMQN-UHFFFAOYSA-N 0 0 301.209 2.426 10 30 DEEERN C=CCC[C@H](C(=O)N1CCC[C@@](O)(CO)C1)c1ccccc1 ZINC000457958938 248092320 /nfs/dbraw/zinc/09/23/20/248092320.db2.gz NGJOEJKEEFHCPK-WMZOPIPTSA-N 0 0 303.402 2.082 10 30 DEEERN C=CCC[C@H](CO)NC(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000458411779 248295189 /nfs/dbraw/zinc/29/51/89/248295189.db2.gz NYVSRYDFLMNXJE-CQSZACIVSA-N 0 0 319.380 2.476 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NCCC[C@@H]1CCCC[C@@H]1O ZINC000459042192 248571098 /nfs/dbraw/zinc/57/10/98/248571098.db2.gz MYGADSRREOLBDI-FZKCQIBNSA-N 0 0 310.438 2.351 10 30 DEEERN C[C@@H](Oc1cccc(CO)c1)C(=O)NCc1cccc(C#N)c1 ZINC000159787586 291659063 /nfs/dbraw/zinc/65/90/63/291659063.db2.gz QDHJYGULVNKBPF-CYBMUJFWSA-N 0 0 310.353 2.134 10 30 DEEERN CCN(C[C@@H](C)C#N)S(=O)(=O)c1sc(Cl)nc1C ZINC000038108974 182991814 /nfs/dbraw/zinc/99/18/14/182991814.db2.gz BYCGGDKYPQMPHY-ZETCQYMHSA-N 0 0 307.828 2.275 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N(CCCCO)C1CC1 ZINC000160198303 291663941 /nfs/dbraw/zinc/66/39/41/291663941.db2.gz UQLPMPYJYCPRIR-ZDUSSCGKSA-N 0 0 302.374 2.089 10 30 DEEERN Cc1cc(C#N)nc(N2CCO[C@@]3(CCc4ccccc43)C2)n1 ZINC000376393394 291676016 /nfs/dbraw/zinc/67/60/16/291676016.db2.gz AUKOWJGPOQTXEI-SFHVURJKSA-N 0 0 306.369 2.335 10 30 DEEERN C[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3CSCN3)sc2C1 ZINC000040852916 183141833 /nfs/dbraw/zinc/14/18/33/183141833.db2.gz HPFRGVMACSPSAQ-LDYMZIIASA-N 0 0 307.444 2.346 10 30 DEEERN CN(C)C(=O)N1CCN([C@@H](C#N)c2ccccc2Cl)CC1 ZINC000041259708 183182009 /nfs/dbraw/zinc/18/20/09/183182009.db2.gz AXQNLXCSLATOQG-AWEZNQCLSA-N 0 0 306.797 2.204 10 30 DEEERN N#CCCCN1C(=O)C(=O)c2cc(Br)c(F)cc21 ZINC000042135436 183234388 /nfs/dbraw/zinc/23/43/88/183234388.db2.gz WYYZUFBRZHAEFV-UHFFFAOYSA-N 0 0 311.110 2.421 10 30 DEEERN Cc1ccnc(N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)c1C#N ZINC000284642945 218113959 /nfs/dbraw/zinc/11/39/59/218113959.db2.gz UVAKMGLXXHMNGT-CQSZACIVSA-N 0 0 324.388 2.015 10 30 DEEERN Cc1nn(C)c(C)c1CN1CCN(Cc2cccc(C#N)c2)CC1 ZINC000105865682 194150061 /nfs/dbraw/zinc/15/00/61/194150061.db2.gz FYGMFHMNRMPOJW-UHFFFAOYSA-N 0 0 323.444 2.226 10 30 DEEERN N#Cc1ccccc1NC(=O)CCc1ccc2c(c1)NC(=O)CO2 ZINC000049682006 183753857 /nfs/dbraw/zinc/75/38/57/183753857.db2.gz HHCCROVHJIARJG-UHFFFAOYSA-N 0 0 321.336 2.460 10 30 DEEERN COc1ccccc1N(C)C(=O)c1ccc(C#CCO)s1 ZINC000049967274 183765598 /nfs/dbraw/zinc/76/55/98/183765598.db2.gz JDPOISGXZVFWKB-UHFFFAOYSA-N 0 0 301.367 2.377 10 30 DEEERN C[C@H](C#N)N1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 ZINC000109445362 194263570 /nfs/dbraw/zinc/26/35/70/194263570.db2.gz NWNCLBMKALHDRA-LLVKDONJSA-N 0 0 309.772 2.078 10 30 DEEERN C[C@H](C#N)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000109445244 194263592 /nfs/dbraw/zinc/26/35/92/194263592.db2.gz YZZHLVAMRWRYEI-LLVKDONJSA-N 0 0 322.206 2.119 10 30 DEEERN CCn1cnnc1[C@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000109854832 194294047 /nfs/dbraw/zinc/29/40/47/194294047.db2.gz YIIBVFRPUAPYCP-HNNXBMFYSA-N 0 0 309.373 2.189 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000273453469 210786987 /nfs/dbraw/zinc/78/69/87/210786987.db2.gz CUUOPKQDZLGZGP-CQSZACIVSA-N 0 0 304.394 2.130 10 30 DEEERN COc1cc(C(=O)NC2(C#N)CCCC2)cc(OC)c1OC ZINC000057632740 184043093 /nfs/dbraw/zinc/04/30/93/184043093.db2.gz SDEYVFNOUVUSQK-UHFFFAOYSA-N 0 0 304.346 2.279 10 30 DEEERN COC(=O)CCCCCNC(=O)NCc1ccc(C#N)cc1 ZINC000046046024 269699906 /nfs/dbraw/zinc/69/99/06/269699906.db2.gz PIZUBRRFSLXNGU-UHFFFAOYSA-N 0 0 303.362 2.091 10 30 DEEERN CCCCCC#C[C@](C)(O)C[NH2+][C@H](CSCC)C(=O)[O-] ZINC000059409717 184138453 /nfs/dbraw/zinc/13/84/53/184138453.db2.gz FOXPWAMMPYFZLF-HIFRSBDPSA-N 0 0 301.452 2.117 10 30 DEEERN Cn1nccc1C(=O)Nc1cc(C#CCCO)ccc1Cl ZINC000061691716 184183119 /nfs/dbraw/zinc/18/31/19/184183119.db2.gz VMGFBEXANCNXDU-UHFFFAOYSA-N 0 0 303.749 2.060 10 30 DEEERN CNc1ccc(S(=O)(=O)N(C)c2ccc(C#N)cc2)cc1 ZINC000061949048 184198397 /nfs/dbraw/zinc/19/83/97/184198397.db2.gz MXJSCTSQJIJOET-UHFFFAOYSA-N 0 0 301.371 2.425 10 30 DEEERN CN(c1ccc(C#N)cc1)S(=O)(=O)c1c(N)cccc1F ZINC000061957792 184198717 /nfs/dbraw/zinc/19/87/17/184198717.db2.gz WOKBNNDTVHAXGA-UHFFFAOYSA-N 0 0 305.334 2.105 10 30 DEEERN CC(C)N[C@@H](C#N)CCSc1ccc(S(C)(=O)=O)cc1 ZINC000063131774 184272160 /nfs/dbraw/zinc/27/21/60/184272160.db2.gz CZUFNBHEBBEHPL-GFCCVEGCSA-N 0 0 312.460 2.462 10 30 DEEERN CCCN[C@@](C)(C#N)CSc1ccc(S(C)(=O)=O)cc1 ZINC000063131806 184272416 /nfs/dbraw/zinc/27/24/16/184272416.db2.gz LEMHGANPVCOIQZ-AWEZNQCLSA-N 0 0 312.460 2.464 10 30 DEEERN C=C(C)COc1cccc(-c2cc(C(=O)NCC)nc(N)n2)c1 ZINC000066138480 184392280 /nfs/dbraw/zinc/39/22/80/184392280.db2.gz KWDAFCAYUUDPRS-UHFFFAOYSA-N 0 0 312.373 2.430 10 30 DEEERN C#CCSCCNC(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000120078700 195092418 /nfs/dbraw/zinc/09/24/18/195092418.db2.gz FLMUTZOEURGVJB-OCCSQVGLSA-N 0 0 304.415 2.217 10 30 DEEERN C#CC[C@@H](C)Nc1cnn(CC2CC2)c(=O)c1Br ZINC000158638905 197291099 /nfs/dbraw/zinc/29/10/99/197291099.db2.gz CXTYDCMKFPEAFG-SECBINFHSA-N 0 0 310.195 2.240 10 30 DEEERN CNC(=O)CC[C@H]1CCCCN1C(=O)Cc1cccc(C#N)c1 ZINC000557717408 291876358 /nfs/dbraw/zinc/87/63/58/291876358.db2.gz GNPAHNSLFSYUHH-MRXNPFEDSA-N 0 0 313.401 2.008 10 30 DEEERN Cc1ccc(NC(=O)NCC(F)(F)F)cc1C#CCCO ZINC000158097040 197244108 /nfs/dbraw/zinc/24/41/08/197244108.db2.gz ORRGPBUIRIWUPN-UHFFFAOYSA-N 0 0 300.280 2.413 10 30 DEEERN CS[C@@H](C)CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000157910786 197226069 /nfs/dbraw/zinc/22/60/69/197226069.db2.gz YRJUHPOTPDOWJO-QMMMGPOBSA-N 0 0 304.824 2.241 10 30 DEEERN N#Cc1ncn(-c2cc(Br)c(F)cc2N)c1C#N ZINC000157980594 197232151 /nfs/dbraw/zinc/23/21/51/197232151.db2.gz YGJMDICNGHYDHI-UHFFFAOYSA-N 0 0 306.098 2.099 10 30 DEEERN CC[C@@H]1CN(C(=O)c2cccc(C#CCCO)c2)CCS1 ZINC000157966607 197231470 /nfs/dbraw/zinc/23/14/70/197231470.db2.gz PDRMTOZRJBABNP-MRXNPFEDSA-N 0 0 303.427 2.388 10 30 DEEERN C=CCn1ncc(N[C@H](C)CCOC)c(Br)c1=O ZINC000157737697 197211566 /nfs/dbraw/zinc/21/15/66/197211566.db2.gz MEOZAUJRWRICLS-SECBINFHSA-N 0 0 316.199 2.029 10 30 DEEERN C#CCn1ncc(N[C@H]2CCC[C@@H]2C)c(Br)c1=O ZINC000157417484 197186660 /nfs/dbraw/zinc/18/66/60/197186660.db2.gz OEAWLSJHNUCHBL-UWVGGRQHSA-N 0 0 310.195 2.240 10 30 DEEERN C#CCn1ncc(NCc2ccsc2)c(Br)c1=O ZINC000157408574 197185696 /nfs/dbraw/zinc/18/56/96/197185696.db2.gz LTNJPRZYAQPROL-UHFFFAOYSA-N 0 0 324.203 2.313 10 30 DEEERN CSC(C)(C)CNC(=O)c1cc(F)ccc1C#CCCO ZINC000157177163 197167839 /nfs/dbraw/zinc/16/78/39/197167839.db2.gz OZOXDTPDFIRXEB-UHFFFAOYSA-N 0 0 309.406 2.431 10 30 DEEERN C=CCn1ncc(N[C@H](C)COCC)c(Br)c1=O ZINC000157092055 197161281 /nfs/dbraw/zinc/16/12/81/197161281.db2.gz GQCHYQRKUYJHDS-SECBINFHSA-N 0 0 316.199 2.029 10 30 DEEERN CS(=O)(=O)c1csc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000156649560 197130109 /nfs/dbraw/zinc/13/01/09/197130109.db2.gz LFCCWIJFENPZBR-UHFFFAOYSA-N 0 0 306.368 2.276 10 30 DEEERN Cn1cc(CNC(=O)c2sccc2C#N)c(C(F)(F)F)n1 ZINC000156404535 197110361 /nfs/dbraw/zinc/11/03/61/197110361.db2.gz SJFSJIMRHWVVES-UHFFFAOYSA-N 0 0 314.292 2.302 10 30 DEEERN O=C(NCc1cc(C#CCO)ccc1F)[C@H]1CCCCS1 ZINC000156271676 197100509 /nfs/dbraw/zinc/10/05/09/197100509.db2.gz MEFHPPLVACAZSC-OAHLLOKOSA-N 0 0 307.390 2.071 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000120550398 195188252 /nfs/dbraw/zinc/18/82/52/195188252.db2.gz PDJSDKYXACSMEE-AWEZNQCLSA-N 0 0 301.371 2.172 10 30 DEEERN NC(=NO)c1nccc2c(F)c(F)c(Br)cc21 ZINC000521401327 257234131 /nfs/dbraw/zinc/23/41/31/257234131.db2.gz NFHAZNDDEFLJBH-UHFFFAOYSA-N 0 0 302.078 2.370 10 30 DEEERN COc1ccc([C@H](C)NS(=O)(=O)CC2(C#N)CC2)cc1F ZINC000121510160 224605500 /nfs/dbraw/zinc/60/55/00/224605500.db2.gz WFVCTGNNLJJFPG-JTQLQIEISA-N 0 0 312.366 2.118 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000123190183 195554028 /nfs/dbraw/zinc/55/40/28/195554028.db2.gz UDFURHRQTVUBQU-UHFFFAOYSA-N 0 0 308.341 2.216 10 30 DEEERN COCCOc1ccc(NC(=O)c2cc(C#N)cn2C)c(C)c1 ZINC000176784720 533261543 /nfs/dbraw/zinc/26/15/43/533261543.db2.gz LARVEKPKIJCNII-UHFFFAOYSA-N 0 0 313.357 2.483 10 30 DEEERN C[C@H](CC#N)NC(=O)c1cnccc1NC(=O)OC(C)(C)C ZINC000189136440 533616084 /nfs/dbraw/zinc/61/60/84/533616084.db2.gz FNONVPGIQJYVMA-SNVBAGLBSA-N 0 0 304.350 2.461 10 30 DEEERN Cc1ccc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000174153549 132507423 /nfs/dbraw/zinc/50/74/23/132507423.db2.gz DMNIVEANDHSBSU-UHFFFAOYSA-N 0 0 323.352 2.000 10 30 DEEERN N#Cc1ncccc1N1CCC[C@H](Cc2nnc3ccccn32)C1 ZINC000377971711 133351909 /nfs/dbraw/zinc/35/19/09/133351909.db2.gz NZLDAHUNWVALNN-CQSZACIVSA-N 0 0 318.384 2.455 10 30 DEEERN C[C@H]1CCCN(C(=O)C2CCN(c3ccncc3C#N)CC2)C1 ZINC000373460109 133391978 /nfs/dbraw/zinc/39/19/78/133391978.db2.gz OOKSVYXNVXCIGH-AWEZNQCLSA-N 0 0 312.417 2.428 10 30 DEEERN N#Cc1ccsc1C(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000373601936 133397540 /nfs/dbraw/zinc/39/75/40/133397540.db2.gz QJIZRXSHDMWFHS-QGZVFWFLSA-N 0 0 323.377 2.356 10 30 DEEERN O=C(Nc1cccc2c1OCC(=O)N2)N1CC2(C1)CCCOC2 ZINC000329506160 296535503 /nfs/dbraw/zinc/53/55/03/296535503.db2.gz IUHFESYUVXSKDB-UHFFFAOYSA-N 0 0 317.345 2.325 10 30 DEEERN CC[C@H](SC)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183698942 144933523 /nfs/dbraw/zinc/93/35/23/144933523.db2.gz VJZVXAAOAIWMLH-LBPRGKRZSA-N 0 0 301.375 2.219 10 30 DEEERN CN(Cc1ccco1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184620533 144946761 /nfs/dbraw/zinc/94/67/61/144946761.db2.gz LJXHGBIJQSBBTA-UHFFFAOYSA-N 0 0 322.328 2.396 10 30 DEEERN C[C@]1(c2ccccn2)NC(=O)N(Cc2ccc(C#N)c(F)c2)C1=O ZINC000187884948 145004153 /nfs/dbraw/zinc/00/41/53/145004153.db2.gz LCPZEFUWUOWGJZ-QGZVFWFLSA-N 0 0 324.315 2.060 10 30 DEEERN CC[C@]1(CO)CCCN1C(=O)[C@H](C)Oc1ccccc1C#N ZINC000189200544 145023984 /nfs/dbraw/zinc/02/39/84/145023984.db2.gz MVDZWJFKBLTQAA-SUMWQHHRSA-N 0 0 302.374 2.089 10 30 DEEERN COc1cccc(-c2nnn(Cc3ccc(C#N)c(F)c3)n2)c1 ZINC000191561286 145060921 /nfs/dbraw/zinc/06/09/21/145060921.db2.gz BGDLSDRBHMHEJM-UHFFFAOYSA-N 0 0 309.304 2.408 10 30 DEEERN N#Cc1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)ccn1 ZINC000192807180 145079300 /nfs/dbraw/zinc/07/93/00/145079300.db2.gz WNOZVVGUJIVWDK-UHFFFAOYSA-N 0 0 303.325 2.450 10 30 DEEERN CN1Cc2cc(NC(=O)c3ccnc(C#N)c3)ccc2NC1=O ZINC000193865400 145091056 /nfs/dbraw/zinc/09/10/56/145091056.db2.gz YNBQSQFPRQYMCU-UHFFFAOYSA-N 0 0 307.313 2.183 10 30 DEEERN C[C@@H]1COC[C@@H](C)N1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248710992 145165063 /nfs/dbraw/zinc/16/50/63/145165063.db2.gz CJJNGRANJQSGPS-CPUCHLNUSA-N 0 0 313.401 2.163 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCC(C)(C)O ZINC000357276673 147077851 /nfs/dbraw/zinc/07/78/51/147077851.db2.gz WWTYTQJKUFPDLB-HNNXBMFYSA-N 0 0 304.390 2.239 10 30 DEEERN Cc1nc([C@H]2CCCN2C(=O)c2ccc(F)c(C#N)c2)no1 ZINC000367736935 147787261 /nfs/dbraw/zinc/78/72/61/147787261.db2.gz GFJVMDMWULAXAU-CYBMUJFWSA-N 0 0 300.293 2.366 10 30 DEEERN N#Cc1ccccc1OCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000128057336 401760776 /nfs/dbraw/zinc/76/07/76/401760776.db2.gz XCEHYEXMYOZUFQ-MAUKXSAKSA-N 0 0 314.385 2.091 10 30 DEEERN N#Cc1cccc(CNC(=O)[C@H]2CCCN2c2nccs2)c1 ZINC000075561398 401762826 /nfs/dbraw/zinc/76/28/26/401762826.db2.gz JGQLPKMPSRZESN-CQSZACIVSA-N 0 0 312.398 2.300 10 30 DEEERN C=CCCCN(C)C(=O)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000076488713 401796619 /nfs/dbraw/zinc/79/66/19/401796619.db2.gz REVBKOCQODQGNA-UHFFFAOYSA-N 0 0 309.431 2.447 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CCc1nc(CSC)no1 ZINC000130061928 401816802 /nfs/dbraw/zinc/81/68/02/401816802.db2.gz BNZFJDJFDSUDJN-UHFFFAOYSA-N 0 0 323.340 2.442 10 30 DEEERN N#Cc1ccc(C(=O)N2CCO[C@@H](c3ccccc3F)C2)cn1 ZINC000115359432 401825526 /nfs/dbraw/zinc/82/55/26/401825526.db2.gz XIYCLNYNDGAYEE-MRXNPFEDSA-N 0 0 311.316 2.306 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000077860945 401834900 /nfs/dbraw/zinc/83/49/00/401834900.db2.gz LQHHBXOJTZGZPE-UHFFFAOYSA-N 0 0 301.346 2.499 10 30 DEEERN C=CC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000116858666 401861966 /nfs/dbraw/zinc/86/19/66/401861966.db2.gz STTGKARWNAIPEY-GHMZBOCLSA-N 0 0 308.328 2.399 10 30 DEEERN C=CC[C@H](C)NC(=O)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000117077013 401868269 /nfs/dbraw/zinc/86/82/69/401868269.db2.gz MABLPVHVZVSYSZ-NSHDSACASA-N 0 0 306.362 2.032 10 30 DEEERN C=CCCCN(C)C(=O)Nc1ccc(OCC(=O)NC)cc1 ZINC000077449455 401815676 /nfs/dbraw/zinc/81/56/76/401815676.db2.gz ACCWYLJPDZIIGL-UHFFFAOYSA-N 0 0 305.378 2.241 10 30 DEEERN C#CCOc1ccc(C(=O)N[C@H](C)c2nnc3n2CCCC3)cc1 ZINC000135310186 401935363 /nfs/dbraw/zinc/93/53/63/401935363.db2.gz ZMNNCZURGOHZTD-CYBMUJFWSA-N 0 0 324.384 2.117 10 30 DEEERN COc1ccccc1N1CCC(NC(=O)CSCC#N)CC1 ZINC000138678312 401987824 /nfs/dbraw/zinc/98/78/24/401987824.db2.gz PSZJKSIEDCXFEX-UHFFFAOYSA-N 0 0 319.430 2.037 10 30 DEEERN C=CCOc1ccc(CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)cc1 ZINC000093559252 402016634 /nfs/dbraw/zinc/01/66/34/402016634.db2.gz SHBGVKASESZSPL-KBPBESRZSA-N 0 0 309.431 2.259 10 30 DEEERN CCCN(CC#N)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000060541900 402105658 /nfs/dbraw/zinc/10/56/58/402105658.db2.gz LDXZABZJKTUAMU-UHFFFAOYSA-N 0 0 319.430 2.362 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCN(CC(F)F)CC2)cc1 ZINC000061600532 402107985 /nfs/dbraw/zinc/10/79/85/402107985.db2.gz CDGUNKZWFUHTAD-UHFFFAOYSA-N 0 0 310.344 2.274 10 30 DEEERN C#CCOc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)OCC)C2)cc1 ZINC000123432911 402127652 /nfs/dbraw/zinc/12/76/52/402127652.db2.gz IZQYYSAEVFMPBB-CABCVRRESA-N 0 0 315.369 2.160 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153147077 402129820 /nfs/dbraw/zinc/12/98/20/402129820.db2.gz NDBKBGDPYKLPNZ-UHFFFAOYSA-N 0 0 317.389 2.378 10 30 DEEERN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C#N)cn3)CC2=O)cc1 ZINC000103929647 402194813 /nfs/dbraw/zinc/19/48/13/402194813.db2.gz FLWROYHGWBUQQP-CQSZACIVSA-N 0 0 320.352 2.253 10 30 DEEERN C[C@H](NS(=O)(=O)CCCCC#N)c1ccc2c(c1)OCCO2 ZINC000104111705 402198062 /nfs/dbraw/zinc/19/80/62/402198062.db2.gz MPQSGICQPFSBKL-LBPRGKRZSA-N 0 0 324.402 2.132 10 30 DEEERN N#Cc1nccn1Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000124045168 402161026 /nfs/dbraw/zinc/16/10/26/402161026.db2.gz YWRDUELSDJEBEC-UHFFFAOYSA-N 0 0 310.386 2.269 10 30 DEEERN N#CCCN(CCC#N)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000102637234 402169825 /nfs/dbraw/zinc/16/98/25/402169825.db2.gz UOZGNZSZRZXEPJ-UHFFFAOYSA-N 0 0 311.301 2.346 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)CCCn1ccnc1 ZINC000154991687 402241283 /nfs/dbraw/zinc/24/12/83/402241283.db2.gz FEIIMBOHUAZWTO-AWEZNQCLSA-N 0 0 312.373 2.071 10 30 DEEERN C=C[C@H](CC(=O)N1CCN(c2cccnn2)CC1)c1ccccc1 ZINC000125085233 402212514 /nfs/dbraw/zinc/21/25/14/402212514.db2.gz CBGWEULFDAUYGR-MRXNPFEDSA-N 0 0 322.412 2.485 10 30 DEEERN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1cnc(C#N)cn1 ZINC000126204909 402269480 /nfs/dbraw/zinc/26/94/80/402269480.db2.gz YUHJKSBXRZUIFM-MQJDWESPSA-N 0 0 300.387 2.283 10 30 DEEERN CC1(C)[C@@H]2CN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)C[C@@H]21 ZINC000184624701 402285374 /nfs/dbraw/zinc/28/53/74/402285374.db2.gz WTBAQTTYUYVYQR-OKILXGFUSA-N 0 0 322.372 2.259 10 30 DEEERN CC(C)C[C@H](CO)N(C)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000184630513 402285987 /nfs/dbraw/zinc/28/59/87/402285987.db2.gz IAGBLUHQADBRAH-DZGCQCFKSA-N 0 0 304.390 2.191 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(F)c(C#N)c3)[C@@H]2C1 ZINC000158440339 402305926 /nfs/dbraw/zinc/30/59/26/402305926.db2.gz PIQJOMDTSOZGFG-DJIMGWMZSA-N 0 0 304.365 2.466 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)Cn1cncn1 ZINC000158513462 402307015 /nfs/dbraw/zinc/30/70/15/402307015.db2.gz NSMOQODZXSWLNK-HNNXBMFYSA-N 0 0 313.405 2.107 10 30 DEEERN CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cccc(C#N)c1 ZINC000222548850 402307735 /nfs/dbraw/zinc/30/77/35/402307735.db2.gz IHTXFOQPCULJPK-SJORKVTESA-N 0 0 314.385 2.428 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000185008362 402316562 /nfs/dbraw/zinc/31/65/62/402316562.db2.gz YBMLWKUVOQYCDK-LBPRGKRZSA-N 0 0 310.419 2.444 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCc1ccc(C(=O)N(C)C)cc1 ZINC000160329567 402340901 /nfs/dbraw/zinc/34/09/01/402340901.db2.gz AQWDJENZTOOATJ-UHFFFAOYSA-N 0 0 321.380 2.499 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000176880613 402345629 /nfs/dbraw/zinc/34/56/29/402345629.db2.gz VDJCYZVNTNSVIQ-HNNXBMFYSA-N 0 0 313.357 2.311 10 30 DEEERN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000177034045 402361683 /nfs/dbraw/zinc/36/16/83/402361683.db2.gz PSHZWAXNWWIIGJ-QGZVFWFLSA-N 0 0 324.384 2.375 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1 ZINC000185702140 402370579 /nfs/dbraw/zinc/37/05/79/402370579.db2.gz MNLHIGLRKCHURF-ZBFHGGJFSA-N 0 0 319.401 2.029 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(-n2ccnc2SC)cc1 ZINC000185710663 402370773 /nfs/dbraw/zinc/37/07/73/402370773.db2.gz UMTCURMSDWLRIO-CYBMUJFWSA-N 0 0 317.414 2.261 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCc1ccc(Br)cc1 ZINC000185771531 402375443 /nfs/dbraw/zinc/37/54/43/402375443.db2.gz KJHXRTVVGLOISH-ZDUSSCGKSA-N 0 0 312.207 2.435 10 30 DEEERN C=CCN(C)C(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000161340437 402383377 /nfs/dbraw/zinc/38/33/77/402383377.db2.gz UNPDIYKWUTUWQV-CQSZACIVSA-N 0 0 310.344 2.364 10 30 DEEERN Cc1cc(C[C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C#N)[nH]n1 ZINC000161654262 402394910 /nfs/dbraw/zinc/39/49/10/402394910.db2.gz YTZSIFDZVKDWQT-WCQYABFASA-N 0 0 312.373 2.105 10 30 DEEERN N#Cc1ccc(CNC(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177391506 402397239 /nfs/dbraw/zinc/39/72/39/402397239.db2.gz UEXQXXSFQGLMQM-MRXNPFEDSA-N 0 0 309.373 2.129 10 30 DEEERN N#C[C@@H](NC(=O)[C@H](c1ccccc1)N1CCSCC1)C1CC1 ZINC000161829638 402400600 /nfs/dbraw/zinc/40/06/00/402400600.db2.gz XTLJWWOZARAXIF-CVEARBPZSA-N 0 0 315.442 2.195 10 30 DEEERN N#C[C@@H](NC(=O)C1(c2ccc(F)cc2F)CCOCC1)C1CC1 ZINC000161882602 402402155 /nfs/dbraw/zinc/40/21/55/402402155.db2.gz SHUOXCBZTPHRSR-OAHLLOKOSA-N 0 0 320.339 2.431 10 30 DEEERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(C#N)CCSCC1 ZINC000162490811 402421498 /nfs/dbraw/zinc/42/14/98/402421498.db2.gz ANMVYFMAVQHVPD-UHFFFAOYSA-N 0 0 305.359 2.422 10 30 DEEERN N#Cc1cccc(/C=C/C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000178553842 402510791 /nfs/dbraw/zinc/51/07/91/402510791.db2.gz IOUGDOBBEXLSBO-DLBUCANVSA-N 0 0 304.349 2.346 10 30 DEEERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NCCCCC#N ZINC000187776070 402511530 /nfs/dbraw/zinc/51/15/30/402511530.db2.gz OQQODTPRENDHHU-NWDGAFQWSA-N 0 0 313.373 2.144 10 30 DEEERN CC[C@@H](CC#N)NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186663263 402452880 /nfs/dbraw/zinc/45/28/80/402452880.db2.gz BZOYHCLGHSTAAL-NSHDSACASA-N 0 0 301.350 2.478 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000186664887 402452883 /nfs/dbraw/zinc/45/28/83/402452883.db2.gz HWENVKYMJHPQSK-JTQLQIEISA-N 0 0 323.336 2.229 10 30 DEEERN C=CCn1c(=O)[nH]nc1SCc1nc2cc(F)ccc2o1 ZINC000163586701 402453385 /nfs/dbraw/zinc/45/33/85/402453385.db2.gz ZVQXOIMTIMMTBZ-UHFFFAOYSA-N 0 0 306.322 2.330 10 30 DEEERN C=CCN(C)C(=O)NC1CCN(c2ccccc2OC)CC1 ZINC000186685995 402455340 /nfs/dbraw/zinc/45/53/40/402455340.db2.gz RNTQHSVMLYMAHP-UHFFFAOYSA-N 0 0 303.406 2.491 10 30 DEEERN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H]1c1cnn(C)c1 ZINC000245431920 402460268 /nfs/dbraw/zinc/46/02/68/402460268.db2.gz BABVRNQQOGKQND-DYVFJYSZSA-N 0 0 323.400 2.456 10 30 DEEERN C[C@@H](CNS(=O)(=O)CC1(C#N)CC1)c1ccc(F)cc1F ZINC000165764644 402478307 /nfs/dbraw/zinc/47/83/07/402478307.db2.gz DPTCTPUIVLGYDJ-JTQLQIEISA-N 0 0 314.357 2.291 10 30 DEEERN CC#CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000245701339 402480597 /nfs/dbraw/zinc/48/05/97/402480597.db2.gz NFFZIWNHZGHVRN-GJZGRUSLSA-N 0 0 305.809 2.408 10 30 DEEERN COc1ccc(O)cc1C(=O)NCc1cc(C#N)ccc1F ZINC000187487564 402502667 /nfs/dbraw/zinc/50/26/67/402502667.db2.gz SRZHPTHGJIMJSV-UHFFFAOYSA-N 0 0 300.289 2.342 10 30 DEEERN COc1ccc([C@@H](C)NC(=O)c2ccc(C#N)nc2)cc1OC ZINC000170248994 402503933 /nfs/dbraw/zinc/50/39/33/402503933.db2.gz DPUSCRVCUWHAFY-LLVKDONJSA-N 0 0 311.341 2.461 10 30 DEEERN CCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(C#N)c1C ZINC000178630416 402519807 /nfs/dbraw/zinc/51/98/07/402519807.db2.gz VHWFQKNOKCPMML-CYBMUJFWSA-N 0 0 303.387 2.117 10 30 DEEERN N#CC1(NC(=O)c2ncc(Br)s2)CCCC1 ZINC000188924640 402527970 /nfs/dbraw/zinc/52/79/70/402527970.db2.gz ZHOSXFKCIKAZSS-UHFFFAOYSA-N 0 0 300.181 2.472 10 30 DEEERN C[C@@H]1C(=O)NCCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000189338794 402534931 /nfs/dbraw/zinc/53/49/31/402534931.db2.gz CTLBAACMAOIWMO-GFCCVEGCSA-N 0 0 310.319 2.267 10 30 DEEERN C=CCC[C@@H](C(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000189471024 402539241 /nfs/dbraw/zinc/53/92/41/402539241.db2.gz LKQCUCZQWNIFFL-JKSUJKDBSA-N 0 0 310.401 2.459 10 30 DEEERN COCc1cccc(CN2CCN(c3ncccc3C#N)CC2)c1 ZINC000179186407 402578987 /nfs/dbraw/zinc/57/89/87/402578987.db2.gz FUUVDPBYTRBDSA-UHFFFAOYSA-N 0 0 322.412 2.422 10 30 DEEERN COC(=O)c1cncc(NC(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000179282499 402584082 /nfs/dbraw/zinc/58/40/82/402584082.db2.gz BTPYKDIJJDOJEH-UHFFFAOYSA-N 0 0 317.251 2.270 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2nncn2c1 ZINC000179479555 402591525 /nfs/dbraw/zinc/59/15/25/402591525.db2.gz GWSAIBPNMZNCIK-NSHDSACASA-N 0 0 307.313 2.007 10 30 DEEERN N#C[C@H]1CN(C(=O)N[C@H]2CCc3cc(Cl)ccc32)CCO1 ZINC000171601389 402600166 /nfs/dbraw/zinc/60/01/66/402600166.db2.gz BFVBZKBVZHTKSM-JSGCOSHPSA-N 0 0 305.765 2.261 10 30 DEEERN N#CC1(c2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2)CC1 ZINC000179805339 402601251 /nfs/dbraw/zinc/60/12/51/402601251.db2.gz SWANXBBWPWFWJC-UHFFFAOYSA-N 0 0 312.369 2.221 10 30 DEEERN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1ccnc1C#N ZINC000179872248 402603082 /nfs/dbraw/zinc/60/30/82/402603082.db2.gz RZFKLVKMALUMDV-JTQLQIEISA-N 0 0 304.300 2.253 10 30 DEEERN CN(CCC#N)C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000171764502 402619693 /nfs/dbraw/zinc/61/96/93/402619693.db2.gz FNLCZAJLAVPFAY-UHFFFAOYSA-N 0 0 307.151 2.311 10 30 DEEERN C=C(C)CN(C)C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000181514358 402647960 /nfs/dbraw/zinc/64/79/60/402647960.db2.gz WMDRSSKXPFUIOM-OAHLLOKOSA-N 0 0 307.438 2.385 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000173897921 402717565 /nfs/dbraw/zinc/71/75/65/402717565.db2.gz VBARAFXYPCNAFH-UHFFFAOYSA-N 0 0 311.297 2.275 10 30 DEEERN COc1ccc(CNc2cc(-n3cnnn3)ccc2F)cc1C#N ZINC000172688729 402670862 /nfs/dbraw/zinc/67/08/62/402670862.db2.gz QGQDIUSFNCFIIO-UHFFFAOYSA-N 0 0 324.319 2.294 10 30 DEEERN CCn1cc(C=Nn2c(SC)nnc2C(F)F)c(C)n1 ZINC000254853693 402671717 /nfs/dbraw/zinc/67/17/17/402671717.db2.gz HJJKLZBWAHNYBJ-UHFFFAOYSA-N 0 0 300.338 2.345 10 30 DEEERN CN(C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)C1(C#N)CCC1 ZINC000173231140 402688548 /nfs/dbraw/zinc/68/85/48/402688548.db2.gz SQSCGJMDBPEHMQ-ZIAGYGMSSA-N 0 0 312.369 2.466 10 30 DEEERN CC(C)(O)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000191777448 402691590 /nfs/dbraw/zinc/69/15/90/402691590.db2.gz BRRAPRLQNGOZCF-UHFFFAOYSA-N 0 0 301.371 2.315 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@@H](C)COCc1ccccc1 ZINC000183192459 402746447 /nfs/dbraw/zinc/74/64/47/402746447.db2.gz QAOWXCAPOWNWMO-GDBMZVCRSA-N 0 0 306.406 2.076 10 30 DEEERN C=CCN(Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000183294154 402754141 /nfs/dbraw/zinc/75/41/41/402754141.db2.gz CTBJIMDAENHYCK-OAHLLOKOSA-N 0 0 324.402 2.078 10 30 DEEERN N#CCSCC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000174976148 402768600 /nfs/dbraw/zinc/76/86/00/402768600.db2.gz QPJQXMIRINIHNG-UHFFFAOYSA-N 0 0 306.391 2.089 10 30 DEEERN N#Cc1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000194357372 402793581 /nfs/dbraw/zinc/79/35/81/402793581.db2.gz QENDABURVQQWRI-INIZCTEOSA-N 0 0 320.396 2.205 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000183836298 402800977 /nfs/dbraw/zinc/80/09/77/402800977.db2.gz ARCKURLQTMPMCE-MCIONIFRSA-N 0 0 300.358 2.370 10 30 DEEERN CC[C@@H](CC#N)NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000183920721 402805366 /nfs/dbraw/zinc/80/53/66/402805366.db2.gz YASXOGSZSZGGOW-STQMWFEESA-N 0 0 309.410 2.442 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(/C=C/C(=O)OCC)cc1 ZINC000183948602 402807800 /nfs/dbraw/zinc/80/78/00/402807800.db2.gz QNZKZPNQOMZDTI-SHQCLWGWSA-N 0 0 318.373 2.321 10 30 DEEERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccccc1OCC#N ZINC000175743331 402828627 /nfs/dbraw/zinc/82/86/27/402828627.db2.gz RKRBJYQETMSCDB-LBPRGKRZSA-N 0 0 318.373 2.391 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)c2ccc(O)cc2F)cn1 ZINC000184280811 402832490 /nfs/dbraw/zinc/83/24/90/402832490.db2.gz ASJUDOVPZPCKLZ-UHFFFAOYSA-N 0 0 323.287 2.236 10 30 DEEERN CCCc1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)n[nH]1 ZINC000184278551 402832549 /nfs/dbraw/zinc/83/25/49/402832549.db2.gz IURHDHNGQAWBOK-UHFFFAOYSA-N 0 0 321.344 2.067 10 30 DEEERN COC[C@@H]1CCCN(C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000175977690 402846100 /nfs/dbraw/zinc/84/61/00/402846100.db2.gz XFVZKWOCLQWOMO-OAHLLOKOSA-N 0 0 317.389 2.005 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC000278787268 402871071 /nfs/dbraw/zinc/87/10/71/402871071.db2.gz VQRJYQRESLHSLG-BXUZGUMPSA-N 0 0 302.330 2.051 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)N2CC3(C2)CCCOC3)C12CCC2 ZINC000329308284 286312296 /nfs/dbraw/zinc/31/22/96/286312296.db2.gz ZPCJPYQVTYTERA-UONOGXRCSA-N 0 0 308.422 2.361 10 30 DEEERN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1COC(=O)N1 ZINC000282953801 403163845 /nfs/dbraw/zinc/16/38/45/403163845.db2.gz LEMMJLXTIPGQIY-VIFPVBQESA-N 0 0 300.767 2.025 10 30 DEEERN Cn1cncc1[C@@H]1C[C@H](NC(=O)C2(C#N)CCCCC2)CCO1 ZINC000276345373 403166030 /nfs/dbraw/zinc/16/60/30/403166030.db2.gz QUNUTSLHJLWRQO-HIFRSBDPSA-N 0 0 316.405 2.230 10 30 DEEERN C#CCCNC(=O)N[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000276412120 403172551 /nfs/dbraw/zinc/17/25/51/403172551.db2.gz BJYRPKMNSBEHLY-OAHLLOKOSA-N 0 0 313.401 2.040 10 30 DEEERN C=CCCCN(C)c1nnc(C(=O)N2CCCC2)n1CC=C ZINC000282606670 403157131 /nfs/dbraw/zinc/15/71/31/403157131.db2.gz NBKBYJKBWWNODR-UHFFFAOYSA-N 0 0 303.410 2.103 10 30 DEEERN C=C(C)Cn1c(C2CC2)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC000283478595 403200320 /nfs/dbraw/zinc/20/03/20/403200320.db2.gz BWDCQTUDTFMWJS-AWEZNQCLSA-N 0 0 312.421 2.459 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC(C(=O)N(C)CCCC)CC1 ZINC000277339978 403206906 /nfs/dbraw/zinc/20/69/06/403206906.db2.gz GYVAMKFCCKOSQE-UHFFFAOYSA-N 0 0 316.445 2.146 10 30 DEEERN C=C(Cl)CNC(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277349038 403208248 /nfs/dbraw/zinc/20/82/48/403208248.db2.gz GFILQWDSHYTGRK-DTWKUNHWSA-N 0 0 300.708 2.084 10 30 DEEERN C#CCC(CC#C)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000277357425 403209186 /nfs/dbraw/zinc/20/91/86/403209186.db2.gz FNBMXBACDCXQOC-UHFFFAOYSA-N 0 0 323.371 2.333 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1nccn1CCc1ccccc1 ZINC000277603012 403235886 /nfs/dbraw/zinc/23/58/86/403235886.db2.gz AXPHNNZIHVEFMD-UHFFFAOYSA-N 0 0 319.408 2.405 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)[C@H](C)CCSCC ZINC000297978846 403297970 /nfs/dbraw/zinc/29/79/70/403297970.db2.gz WODYXSGAIFCGKZ-CYBMUJFWSA-N 0 0 300.468 2.401 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](C)c1ccc(OC)cc1 ZINC000284071901 403242736 /nfs/dbraw/zinc/24/27/36/403242736.db2.gz LBJPZBAYJAGJHH-CYBMUJFWSA-N 0 0 304.390 2.297 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1cccc(NC(=O)N(C)C)c1 ZINC000277756361 403253572 /nfs/dbraw/zinc/25/35/72/403253572.db2.gz RYBUBNNVRCHDEB-UHFFFAOYSA-N 0 0 311.385 2.059 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1cc(Cl)ccc1OC ZINC000284553210 403269123 /nfs/dbraw/zinc/26/91/23/403269123.db2.gz XYRUTQMJPFVBEU-UHFFFAOYSA-N 0 0 324.808 2.389 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cnc(OC)c(Cl)c1 ZINC000285148052 403278994 /nfs/dbraw/zinc/27/89/94/403278994.db2.gz YNUUQWAVLDQVRY-GXFFZTMASA-N 0 0 310.781 2.455 10 30 DEEERN C=C(CNC(=O)C(=O)Nc1cn(C)nc1C1CC1)c1ccccc1 ZINC000292093000 403290017 /nfs/dbraw/zinc/29/00/17/403290017.db2.gz QYEQOFJNKZFOMX-UHFFFAOYSA-N 0 0 324.384 2.066 10 30 DEEERN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000292234327 403329114 /nfs/dbraw/zinc/32/91/14/403329114.db2.gz DBEKBJYLYYRPKL-CQSZACIVSA-N 0 0 304.438 2.416 10 30 DEEERN C=C(Cl)CNC(=O)[C@@H]1CC[C@H](C(=O)NCC(=C)Cl)C1 ZINC000298196575 403329200 /nfs/dbraw/zinc/32/92/00/403329200.db2.gz VCSYZXNXVFMQGS-PHIMTYICSA-N 0 0 305.205 2.140 10 30 DEEERN C=CCCOCCCCC(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000342841557 403368581 /nfs/dbraw/zinc/36/85/81/403368581.db2.gz ORUAUKFOQPZTBI-INIZCTEOSA-N 0 0 316.401 2.193 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC000285886979 403403398 /nfs/dbraw/zinc/40/33/98/403403398.db2.gz RDEMBNSWPILXKF-SJLPKXTDSA-N 0 0 321.424 2.276 10 30 DEEERN N#Cc1cccnc1N1CCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000299141326 403532980 /nfs/dbraw/zinc/53/29/80/403532980.db2.gz TXJJZZSUGWWFFU-UHFFFAOYSA-N 0 0 323.400 2.076 10 30 DEEERN C=CCNC(=O)Cc1noc(Cc2cnc3ccccc3c2)n1 ZINC000346996291 403610744 /nfs/dbraw/zinc/61/07/44/403610744.db2.gz WGBWLRKLWXQJDF-UHFFFAOYSA-N 0 0 308.341 2.053 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1nc(C2CCOCC2)cs1 ZINC000287555849 403621919 /nfs/dbraw/zinc/62/19/19/403621919.db2.gz XNIBUPHYESKWJI-NSHDSACASA-N 0 0 311.407 2.096 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000287682678 403647843 /nfs/dbraw/zinc/64/78/43/403647843.db2.gz LMPRYQYGLRMOEJ-HNNXBMFYSA-N 0 0 303.402 2.372 10 30 DEEERN C=CCn1nnnc1Sc1ncnc2cc(F)c(OC)cc21 ZINC000302551987 403711862 /nfs/dbraw/zinc/71/18/62/403711862.db2.gz INKVJGJQNKYNKS-UHFFFAOYSA-N 0 0 318.337 2.101 10 30 DEEERN C#CCC(CC#C)C(=O)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000288158210 403736558 /nfs/dbraw/zinc/73/65/58/403736558.db2.gz MSJJENRRXRRXIT-QGZVFWFLSA-N 0 0 322.408 2.161 10 30 DEEERN CC(C)(C)OC(=O)N1CC(N[C@H](C#N)Cc2ccccc2)C1 ZINC000409442308 403825855 /nfs/dbraw/zinc/82/58/55/403825855.db2.gz UQICRTLCUDPZJK-AWEZNQCLSA-N 0 0 301.390 2.330 10 30 DEEERN C#CC[C@H](NS(=O)(=O)[C@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000295215668 403800052 /nfs/dbraw/zinc/80/00/52/403800052.db2.gz VDAUIRVVQVSXDG-BPUTZDHNSA-N 0 0 307.415 2.238 10 30 DEEERN Cc1nsc(NC(=O)N[C@@H]2C[C@@H](C)n3ccnc32)c1C#N ZINC000333802662 403865583 /nfs/dbraw/zinc/86/55/83/403865583.db2.gz DPODHVXOHVFRCJ-GMSGAONNSA-N 0 0 302.363 2.347 10 30 DEEERN C#Cc1ccc(CNC(=O)c2cnn(C3CCOCC3)c2C)cc1 ZINC000295382239 403892941 /nfs/dbraw/zinc/89/29/41/403892941.db2.gz GYVFSEJMYMNLSV-UHFFFAOYSA-N 0 0 323.396 2.454 10 30 DEEERN C=CCC(F)(F)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000295446737 403929413 /nfs/dbraw/zinc/92/94/13/403929413.db2.gz UXHUEXMVAUSCGC-LBPRGKRZSA-N 0 0 312.364 2.025 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCc2cc(F)c(F)cc21 ZINC000347916444 403949173 /nfs/dbraw/zinc/94/91/73/403949173.db2.gz BMUVPFOSPXWLSK-UHFFFAOYSA-N 0 0 308.328 2.279 10 30 DEEERN C=C1c2ccccc2C(=O)N1CC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000295490419 403955489 /nfs/dbraw/zinc/95/54/89/403955489.db2.gz FDMBHXGYZCIRME-KBPBESRZSA-N 0 0 309.369 2.312 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](CCOC)c1ccc(C)o1 ZINC000289564062 403985471 /nfs/dbraw/zinc/98/54/71/403985471.db2.gz SAYUDIFKQJDAFT-AWEZNQCLSA-N 0 0 322.405 2.206 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000344264419 404017626 /nfs/dbraw/zinc/01/76/26/404017626.db2.gz CWWHSBSTZRUIGS-TZMCWYRMSA-N 0 0 322.453 2.491 10 30 DEEERN C=C(C)COCCNC(=O)c1ccnc(N2CC[C@H](C)C2)c1 ZINC000354903607 404092350 /nfs/dbraw/zinc/09/23/50/404092350.db2.gz YIMSAOHJEOJRCS-AWEZNQCLSA-N 0 0 303.406 2.250 10 30 DEEERN CC[C@H](C)OCC(=O)N1CC[C@@H](n2ccc(NC(C)=O)n2)C1 ZINC000328614412 404115541 /nfs/dbraw/zinc/11/55/41/404115541.db2.gz VZFGBRVJYYLHEN-WCQYABFASA-N 0 0 308.382 2.080 10 30 DEEERN C=C(C)COCCN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000348988950 404115615 /nfs/dbraw/zinc/11/56/15/404115615.db2.gz BZGXKXMXYGBTGY-INIZCTEOSA-N 0 0 306.337 2.185 10 30 DEEERN CCOCCNC(=O)CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000328632260 404119222 /nfs/dbraw/zinc/11/92/22/404119222.db2.gz LGHFGJYVKSFENH-OAHLLOKOSA-N 0 0 320.437 2.418 10 30 DEEERN CN(C)c1ncc([NH+]=C([O-])N[C@@H]2CCc3ccccc3C2)cn1 ZINC000328664687 404126110 /nfs/dbraw/zinc/12/61/10/404126110.db2.gz YRLKEBJOIGVMLD-CQSZACIVSA-N 0 0 311.389 2.426 10 30 DEEERN CO[C@@H]1CCCN(C(=O)NC[C@H]2CCCn3cc(C)nc32)C1 ZINC000328658116 404126987 /nfs/dbraw/zinc/12/69/87/404126987.db2.gz QLLYYBSVYNQZGN-ZIAGYGMSSA-N 0 0 306.410 2.094 10 30 DEEERN Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328839022 404159694 /nfs/dbraw/zinc/15/96/94/404159694.db2.gz OCCWEIXTCAOWBQ-TZTCFGBESA-N 0 0 307.394 2.294 10 30 DEEERN C#CCCCC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000290631926 404249530 /nfs/dbraw/zinc/24/95/30/404249530.db2.gz SPXWXNVAIXFRGV-GVXVVHGQSA-N 0 0 318.339 2.094 10 30 DEEERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCCOCC1 ZINC000329239081 404276270 /nfs/dbraw/zinc/27/62/70/404276270.db2.gz QBMSONSNPSNGRC-YNEHKIRRSA-N 0 0 314.451 2.460 10 30 DEEERN Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CCC[C@@H](C2CC2)C1 ZINC000329260527 404282195 /nfs/dbraw/zinc/28/21/95/404282195.db2.gz AYXZRDOOERKSGJ-ILXRZTDVSA-N 0 0 318.421 2.286 10 30 DEEERN N#Cc1cccc(-c2cc(C(=O)N3CC[NH+]4CCC3CC4)on2)c1 ZINC000329264960 404283457 /nfs/dbraw/zinc/28/34/57/404283457.db2.gz CBJYGUCCJFYPLD-UHFFFAOYSA-N 0 0 322.368 2.133 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCOC[C@H]1C ZINC000355455395 404335975 /nfs/dbraw/zinc/33/59/75/404335975.db2.gz YOEURADTKIGLKO-CJNGLKHVSA-N 0 0 322.405 2.285 10 30 DEEERN CN(C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1)C1CCC(C)(C)CC1 ZINC000329374349 404317914 /nfs/dbraw/zinc/31/79/14/404317914.db2.gz KHIWSGLCDMQCMT-UONOGXRCSA-N 0 0 321.425 2.033 10 30 DEEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000329396069 404324457 /nfs/dbraw/zinc/32/44/57/404324457.db2.gz VXXIOFXCSFIAKW-RBSFLKMASA-N 0 0 304.394 2.418 10 30 DEEERN C=C[C@@H](C)NC(=O)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000356223022 404404829 /nfs/dbraw/zinc/40/48/29/404404829.db2.gz MDVVSSARZGRMLG-HUUCEWRRSA-N 0 0 319.449 2.385 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000351075722 404510198 /nfs/dbraw/zinc/51/01/98/404510198.db2.gz QMEKLEQIDKMGTG-KGLIPLIRSA-N 0 0 319.453 2.143 10 30 DEEERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000330039209 404534514 /nfs/dbraw/zinc/53/45/14/404534514.db2.gz AYRHCMSXCMACOB-DNVSUFBTSA-N 0 0 306.362 2.389 10 30 DEEERN C=CCOc1ccc(Br)cc1N[C@@H]1CCNC1=O ZINC000414198937 404545206 /nfs/dbraw/zinc/54/52/06/404545206.db2.gz YLZQKEHDMWIIMJ-SNVBAGLBSA-N 0 0 311.179 2.314 10 30 DEEERN Cc1noc(C)c1C[C@H](C)NC(=O)N1CCO[C@H](C2CC2)C1 ZINC000330144309 404564438 /nfs/dbraw/zinc/56/44/38/404564438.db2.gz RPGNHCBGQSRKKH-BONVTDFDSA-N 0 0 307.394 2.247 10 30 DEEERN N#Cc1cc(Br)cnc1N1CCCC2(C1)OCCO2 ZINC000297548211 404571587 /nfs/dbraw/zinc/57/15/87/404571587.db2.gz QMPXZNQZLZDPGK-UHFFFAOYSA-N 0 0 324.178 2.059 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCc2cc(F)ccc2C1 ZINC000297645335 404576728 /nfs/dbraw/zinc/57/67/28/404576728.db2.gz GADGIUKCUVKKNM-UHFFFAOYSA-N 0 0 304.365 2.135 10 30 DEEERN O=C(Nc1nccn1-c1ccccc1)N1CCN(C2CC2)CC1 ZINC000330249905 404601541 /nfs/dbraw/zinc/60/15/41/404601541.db2.gz MUGZQSSKQRDYST-UHFFFAOYSA-N 0 0 311.389 2.198 10 30 DEEERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000330265923 404607262 /nfs/dbraw/zinc/60/72/62/404607262.db2.gz ZXVWHFLGJUJGSN-OAGGEKHMSA-N 0 0 320.437 2.323 10 30 DEEERN C=C(C)COc1cccc(NC(=O)C2(C(=O)N(C)C)CC2)c1 ZINC000352940576 404699139 /nfs/dbraw/zinc/69/91/39/404699139.db2.gz XSTWSEFKCPFBLN-UHFFFAOYSA-N 0 0 302.374 2.448 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CCCOCC1 ZINC000365833438 404728454 /nfs/dbraw/zinc/72/84/54/404728454.db2.gz MVENQWDIKLFYKH-ZDUSSCGKSA-N 0 0 302.374 2.358 10 30 DEEERN C=CCCCNC(=O)C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000358081963 404752904 /nfs/dbraw/zinc/75/29/04/404752904.db2.gz ILSMMTSMLYATJN-UHFFFAOYSA-N 0 0 318.392 2.446 10 30 DEEERN C[C@@H](NC(=O)[C@H](C#N)c1nccn1Cc1ccccc1)C1CC1 ZINC000358081506 404753384 /nfs/dbraw/zinc/75/33/84/404753384.db2.gz WXKPJYSMKJCWPU-CZUORRHYSA-N 0 0 308.385 2.453 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(F)c(N2C(=O)CNC2=O)c1 ZINC000358203379 404756505 /nfs/dbraw/zinc/75/65/05/404756505.db2.gz RDRXEHBBEVBCBT-JTQLQIEISA-N 0 0 319.336 2.423 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1CCCC[C@H]1CCS(C)(=O)=O ZINC000366175446 404767589 /nfs/dbraw/zinc/76/75/89/404767589.db2.gz ZQJJIBBJLSOMCD-KBPBESRZSA-N 0 0 316.467 2.340 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000352987998 404712725 /nfs/dbraw/zinc/71/27/25/404712725.db2.gz KEEPINLCBMONHE-SUMWQHHRSA-N 0 0 311.422 2.405 10 30 DEEERN C[C@H](CC(=O)N1CCC(C)(C#N)CC1)NC(=O)C1CCCC1 ZINC000356968080 404722742 /nfs/dbraw/zinc/72/27/42/404722742.db2.gz GGGFNJADEQHSSG-CYBMUJFWSA-N 0 0 305.422 2.224 10 30 DEEERN C=CCCCC(=O)N1CCC(NC(=O)c2ccncc2)CC1 ZINC000365825387 404726618 /nfs/dbraw/zinc/72/66/18/404726618.db2.gz OIRAZRAIGGMATH-UHFFFAOYSA-N 0 0 301.390 2.159 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@H](c1ncc(C)s1)C1CC1 ZINC000359066803 404782369 /nfs/dbraw/zinc/78/23/69/404782369.db2.gz JMRWWHYKYVEROW-LBPRGKRZSA-N 0 0 307.419 2.101 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](CC)c1c(C)nn(C)c1C ZINC000360104837 404818265 /nfs/dbraw/zinc/81/82/65/404818265.db2.gz ULMDFSUXOIZINT-CQSZACIVSA-N 0 0 320.437 2.029 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000366674836 404829977 /nfs/dbraw/zinc/82/99/77/404829977.db2.gz AJFDEJYWMHAZIZ-MUQADHOPSA-N 0 0 322.449 2.304 10 30 DEEERN C#C[C@@H](C)NC(=O)N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000376923521 404830402 /nfs/dbraw/zinc/83/04/02/404830402.db2.gz RZIYKHWORYIUSU-CHWSQXEVSA-N 0 0 309.410 2.097 10 30 DEEERN C=CCN(CCOC)C(=O)c1coc(-c2ccnc(C)c2)n1 ZINC000451148391 404880588 /nfs/dbraw/zinc/88/05/88/404880588.db2.gz QGAANDVHWZXGRA-UHFFFAOYSA-N 0 0 301.346 2.320 10 30 DEEERN C=C(CNC(=O)N[C@H]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000353505525 404851270 /nfs/dbraw/zinc/85/12/70/404851270.db2.gz HDELLYYAFKYHBG-GJZGRUSLSA-N 0 0 301.390 2.043 10 30 DEEERN N#Cc1ccsc1C(=O)NCc1ncn(-c2ccccc2)n1 ZINC000360934976 404856316 /nfs/dbraw/zinc/85/63/16/404856316.db2.gz DDACNWHIBMYPKS-UHFFFAOYSA-N 0 0 309.354 2.130 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000434833258 404938236 /nfs/dbraw/zinc/93/82/36/404938236.db2.gz VPLOJZGKRHSXPL-JTQLQIEISA-N 0 0 307.419 2.241 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCCN(C(=O)C(C)(C)C)CC1)OCC ZINC000361204659 404971659 /nfs/dbraw/zinc/97/16/59/404971659.db2.gz OEJYGCJWJSYJQX-OAHLLOKOSA-N 0 0 324.465 2.465 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000361485206 405094488 /nfs/dbraw/zinc/09/44/88/405094488.db2.gz MLGBTJKTDBXJKI-JZXOWHBKSA-N 0 0 324.465 2.069 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1nscc1Br ZINC000404954440 405069929 /nfs/dbraw/zinc/06/99/29/405069929.db2.gz RARJDOJILIPNFQ-XPUUQOCRSA-N 0 0 300.181 2.328 10 30 DEEERN C[C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC[S@]1=O ZINC000407956857 405074783 /nfs/dbraw/zinc/07/47/83/405074783.db2.gz XFQCHEALEOEXJS-JLTPVHFHSA-N 0 0 317.336 2.319 10 30 DEEERN C=CCC1(C(=O)N[C@@H](C)COCC(F)(F)F)CCOCC1 ZINC000424615195 405129337 /nfs/dbraw/zinc/12/93/37/405129337.db2.gz KASFANZXOYLMNL-NSHDSACASA-N 0 0 309.328 2.443 10 30 DEEERN C=CCC1(C(=O)NC[C@H](C)Cn2ccnc2C)CCOCC1 ZINC000424588772 405124225 /nfs/dbraw/zinc/12/42/25/405124225.db2.gz CBYNJKSGJYSLGW-AWEZNQCLSA-N 0 0 305.422 2.317 10 30 DEEERN C=CCC1(C(=O)Nc2nc3c(s2)CN(C)CC3)CCOCC1 ZINC000424591986 405124469 /nfs/dbraw/zinc/12/44/69/405124469.db2.gz IKCSUFFVTBJKPP-UHFFFAOYSA-N 0 0 321.446 2.442 10 30 DEEERN CC(C)N1C(=O)CN(C(=O)c2sccc2C#N)CC1(C)C ZINC000408245232 405151635 /nfs/dbraw/zinc/15/16/35/405151635.db2.gz GGJHSRPZYOMZAX-UHFFFAOYSA-N 0 0 305.403 2.091 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnn(CC(C)C)c1CC ZINC000424933726 405215171 /nfs/dbraw/zinc/21/51/71/405215171.db2.gz RQFDZOJFIXYKSA-BBRMVZONSA-N 0 0 305.422 2.422 10 30 DEEERN C=CCCCN(C)C(=O)CNS(=O)(=O)c1cc(C)ccc1C ZINC000354445874 405215714 /nfs/dbraw/zinc/21/57/14/405215714.db2.gz DRIDAGCGFQYZLI-UHFFFAOYSA-N 0 0 324.446 2.006 10 30 DEEERN C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1cnn(C)c1C#N ZINC000408314274 405170829 /nfs/dbraw/zinc/17/08/29/405170829.db2.gz SEXKWEMLMHOTBJ-GFCCVEGCSA-N 0 0 309.373 2.167 10 30 DEEERN CC#CCCNC(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000361638541 405175999 /nfs/dbraw/zinc/17/59/99/405175999.db2.gz CHRFJECCQPJCCR-MRXNPFEDSA-N 0 0 302.374 2.192 10 30 DEEERN C=C(C)[C@H](CC(=O)NC(C)(C)c1nocc1C(=O)OC)OCC ZINC000425349091 405277287 /nfs/dbraw/zinc/27/72/87/405277287.db2.gz FBEXHVIHWSPPRB-LBPRGKRZSA-N 0 0 324.377 2.184 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1cccc(OC)c1 ZINC000425408503 405286683 /nfs/dbraw/zinc/28/66/83/405286683.db2.gz UAYGJKZOANHRDK-HOCLYGCPSA-N 0 0 304.390 2.128 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(OC)c(OC)cc1C ZINC000454234411 405314938 /nfs/dbraw/zinc/31/49/38/405314938.db2.gz PJKJCYFHTNOLFJ-YPMHNXCESA-N 0 0 306.362 2.477 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCCO)Cc1ccccc1 ZINC000425861669 405325314 /nfs/dbraw/zinc/32/53/14/405325314.db2.gz WBVKYJLCGLCOOF-IRXDYDNUSA-N 0 0 318.417 2.172 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1(CC(C)C)CCC1 ZINC000425895274 405327004 /nfs/dbraw/zinc/32/70/04/405327004.db2.gz ZYAUMQAKQGHBGP-GJZGRUSLSA-N 0 0 322.449 2.026 10 30 DEEERN CCOC(C)(C)CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000440934247 405331702 /nfs/dbraw/zinc/33/17/02/405331702.db2.gz SCMNIRIOZLLAQS-INIZCTEOSA-N 0 0 312.410 2.179 10 30 DEEERN C=CC[C@H](C)NC(=O)NCCc1cnc2c(Cl)cnn2c1 ZINC000454517253 405356404 /nfs/dbraw/zinc/35/64/04/405356404.db2.gz FLYJPFMRASPLHQ-JTQLQIEISA-N 0 0 307.785 2.189 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](Cc1ccccc1)OC ZINC000425555930 405302922 /nfs/dbraw/zinc/30/29/22/405302922.db2.gz ROAQTJFFLKYJMB-BBWFWOEESA-N 0 0 318.417 2.134 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CO)CC1CCCCC1 ZINC000425562774 405303643 /nfs/dbraw/zinc/30/36/43/405303643.db2.gz HGXYUMNGZHHZHC-JYJNAYRXSA-N 0 0 310.438 2.208 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NCC3(C)CCC3)cc2C1=O ZINC000427226709 405396096 /nfs/dbraw/zinc/39/60/96/405396096.db2.gz UIKDLTVXSFFUDH-UHFFFAOYSA-N 0 0 312.369 2.389 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc2nc(C)cn2c1 ZINC000427679414 405419307 /nfs/dbraw/zinc/41/93/07/405419307.db2.gz RFHIEUZJAAVCCT-AWEZNQCLSA-N 0 0 312.373 2.148 10 30 DEEERN COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C#N)n1C ZINC000448671576 405433753 /nfs/dbraw/zinc/43/37/53/405433753.db2.gz SWPNMSTVQKSLNZ-UHFFFAOYSA-N 0 0 322.368 2.057 10 30 DEEERN C[C@@H](NC(=O)c1ccc(C#N)n1C)c1ccc2c(c1)CCC(=O)N2 ZINC000448723045 405441620 /nfs/dbraw/zinc/44/16/20/405441620.db2.gz SAOTVFODMSDZDU-LLVKDONJSA-N 0 0 322.368 2.272 10 30 DEEERN C[C@H]1Cc2ccccc2N1CCNC(=O)c1ccc(C#N)n1C ZINC000448815608 405451784 /nfs/dbraw/zinc/45/17/84/405451784.db2.gz GRAGLLGRIGQDLZ-ZDUSSCGKSA-N 0 0 308.385 2.078 10 30 DEEERN C=CCC[C@H](CO)NC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000456772358 405559388 /nfs/dbraw/zinc/55/93/88/405559388.db2.gz WRMUGAJPFLKYMU-CHWSQXEVSA-N 0 0 305.422 2.081 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)[C@H](C)Cn1ncc2ccccc21 ZINC000456759005 405552699 /nfs/dbraw/zinc/55/26/99/405552699.db2.gz DMKZCIDLCBVYSK-HIFRSBDPSA-N 0 0 301.390 2.116 10 30 DEEERN CNC(=O)CC[C@@H]1CCCCN1C(=O)Cc1cccc(C#N)c1 ZINC000557717407 405623262 /nfs/dbraw/zinc/62/32/62/405623262.db2.gz GNPAHNSLFSYUHH-INIZCTEOSA-N 0 0 313.401 2.008 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1 ZINC000633410894 405627950 /nfs/dbraw/zinc/62/79/50/405627950.db2.gz GDVNJRSVWXFQAT-STQMWFEESA-N 0 0 316.467 2.196 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1 ZINC000633410892 405628487 /nfs/dbraw/zinc/62/84/87/405628487.db2.gz GDVNJRSVWXFQAT-BETUJISGSA-N 0 0 316.467 2.196 10 30 DEEERN C=CCSc1ccccc1C(=O)N1CC[C@@H](C(=O)NC)C1 ZINC000421652511 405574763 /nfs/dbraw/zinc/57/47/63/405574763.db2.gz SBHYAVYSLOAPQG-GFCCVEGCSA-N 0 0 304.415 2.173 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H](CC(=O)NC)c1ccccc1 ZINC000431099386 405577465 /nfs/dbraw/zinc/57/74/65/405577465.db2.gz RJMOERIMLVFHKE-HNNXBMFYSA-N 0 0 303.406 2.471 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1ccc(C)c(-c2cnn(C)c2)c1 ZINC000633360204 405594193 /nfs/dbraw/zinc/59/41/93/405594193.db2.gz ANXYRHVNIYASLW-MRXNPFEDSA-N 0 0 313.401 2.452 10 30 DEEERN C[C@@H]1C[C@@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449597876 405633413 /nfs/dbraw/zinc/63/34/13/405633413.db2.gz GRTBKBPLMJQWBO-MWLCHTKSSA-N 0 0 323.190 2.472 10 30 DEEERN N#Cc1cccc(CCNC(=O)NC[C@@H]2CC23CCOCC3)c1 ZINC000568697947 292359757 /nfs/dbraw/zinc/35/97/57/292359757.db2.gz DWVIOCACOOMCDN-INIZCTEOSA-N 0 0 313.401 2.217 10 30 DEEERN C=CCC[C@H](C(=O)NCCn1cnccc1=O)c1ccccc1 ZINC000633556489 405714000 /nfs/dbraw/zinc/71/40/00/405714000.db2.gz CTBORHHPHPQECK-INIZCTEOSA-N 0 0 311.385 2.110 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000529026665 405746905 /nfs/dbraw/zinc/74/69/05/405746905.db2.gz WPJQENMQIRGMGC-JKSUJKDBSA-N 0 0 322.836 2.358 10 30 DEEERN CC#CC[C@H](CO)NC(=O)Cc1nc(-c2ccco2)c(C)s1 ZINC000636111669 405748145 /nfs/dbraw/zinc/74/81/45/405748145.db2.gz NRYIUYVXVJUJMG-GFCCVEGCSA-N 0 0 318.398 2.145 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@](C)(O)CO ZINC000432585124 405785063 /nfs/dbraw/zinc/78/50/63/405785063.db2.gz BRKRMKNSKLAXOL-QGZVFWFLSA-N 0 0 306.406 2.403 10 30 DEEERN C=CCN(C(=O)C[C@@H](n1ccnc1)C(F)(F)F)[C@H](C)COC ZINC000636161542 405785355 /nfs/dbraw/zinc/78/53/55/405785355.db2.gz WKXOOTABAIANJY-VXGBXAGGSA-N 0 0 319.327 2.426 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000450172916 405766390 /nfs/dbraw/zinc/76/63/90/405766390.db2.gz HNCHLQUYCYUTHJ-CQSZACIVSA-N 0 0 311.385 2.191 10 30 DEEERN COC(=O)c1cccc(NC(=O)Cc2cccc(C#N)c2)c1O ZINC000530679814 405844263 /nfs/dbraw/zinc/84/42/63/405844263.db2.gz CKMDJDYTVSQOOH-UHFFFAOYSA-N 0 0 310.309 2.232 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000450380419 405866415 /nfs/dbraw/zinc/86/64/15/405866415.db2.gz ROULHJDUERZVTC-WCXIOVBPSA-N 0 0 301.386 2.472 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000450380420 405866858 /nfs/dbraw/zinc/86/68/58/405866858.db2.gz ROULHJDUERZVTC-YVSFHVDLSA-N 0 0 301.386 2.472 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1cc(N2CCOCC2)ncn1 ZINC000633967742 405935081 /nfs/dbraw/zinc/93/50/81/405935081.db2.gz VOKJCANCNQLMFP-UHFFFAOYSA-N 0 0 318.421 2.035 10 30 DEEERN COC(=O)[C@H](NC(=O)Cc1cccc(C#N)c1)c1cccs1 ZINC000531386156 405952128 /nfs/dbraw/zinc/95/21/28/405952128.db2.gz ZUEWMJBZEFNICM-OAHLLOKOSA-N 0 0 314.366 2.193 10 30 DEEERN Cn1c2cc(NC(=O)Cc3cccc(C#N)c3)ccc2oc1=O ZINC000531392046 405952665 /nfs/dbraw/zinc/95/26/65/405952665.db2.gz SXAUHAQBYBVGOX-UHFFFAOYSA-N 0 0 307.309 2.184 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@@H]2C[C@@H](C)O[C@H]2C)c(OC)c1 ZINC000634015867 405959796 /nfs/dbraw/zinc/95/97/96/405959796.db2.gz RDNXWKNDOLZZHO-VNHYZAJKSA-N 0 0 319.401 2.485 10 30 DEEERN C[C@H](c1ccccc1)N(CC(N)=O)C(=O)Cc1cccc(C#N)c1 ZINC000531817885 406010876 /nfs/dbraw/zinc/01/08/76/406010876.db2.gz YYBUJESOPYVALD-CQSZACIVSA-N 0 0 321.380 2.176 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCCc1ccc(C)o1 ZINC000636549000 406005619 /nfs/dbraw/zinc/00/56/19/406005619.db2.gz CGBCLBSNJGBEGP-UHFFFAOYSA-N 0 0 306.406 2.355 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1cc2c(cc(OC)cc2OC)[nH]1 ZINC000632295401 406082193 /nfs/dbraw/zinc/08/21/93/406082193.db2.gz KKPPIPDVIYUZLF-NSHDSACASA-N 0 0 318.373 2.100 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1ncc(CC)s1 ZINC000636795039 406084173 /nfs/dbraw/zinc/08/41/73/406084173.db2.gz NGZAVJFWXBPCAZ-UHFFFAOYSA-N 0 0 323.462 2.430 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000636813064 406088534 /nfs/dbraw/zinc/08/85/34/406088534.db2.gz GBKGSWBJDFUFCQ-LSDHHAIUSA-N 0 0 324.465 2.415 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](CC)C1CCOCC1 ZINC000636811736 406088602 /nfs/dbraw/zinc/08/86/02/406088602.db2.gz XZVDYCMIQWUQMR-HNNXBMFYSA-N 0 0 324.465 2.416 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000636813062 406088674 /nfs/dbraw/zinc/08/86/74/406088674.db2.gz GBKGSWBJDFUFCQ-HUUCEWRRSA-N 0 0 324.465 2.415 10 30 DEEERN CC#CCCNC(=O)[C@H](C)Cc1c(C)nn(COCC)c1C ZINC000632331377 406094562 /nfs/dbraw/zinc/09/45/62/406094562.db2.gz LDQRKTDOKWSXMF-CYBMUJFWSA-N 0 0 305.422 2.202 10 30 DEEERN Cc1nn(C)cc1CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000459858167 406063683 /nfs/dbraw/zinc/06/36/83/406063683.db2.gz VRWSZXHHOKFHBL-UHFFFAOYSA-N 0 0 300.387 2.332 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000636736597 406068364 /nfs/dbraw/zinc/06/83/64/406068364.db2.gz LIYASHMNRJWAEK-GFCCVEGCSA-N 0 0 310.438 2.167 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1([C@H]2CCCCO2)CCC1 ZINC000634332897 406103489 /nfs/dbraw/zinc/10/34/89/406103489.db2.gz BFNXLWPZEVGOGG-HZPDHXFCSA-N 0 0 322.449 2.313 10 30 DEEERN C=CCn1c(COCCOC)nnc1N1C[C@@H](C)CC[C@H]1C ZINC000634340012 406106119 /nfs/dbraw/zinc/10/61/19/406106119.db2.gz YCXFPXKNUUHWEI-UONOGXRCSA-N 0 0 308.426 2.252 10 30 DEEERN C=C(C)COCCNC(=O)N[C@@](C)(CO)Cc1ccccc1F ZINC000636930240 406125482 /nfs/dbraw/zinc/12/54/82/406125482.db2.gz FOJOIQMRJXZMMI-QGZVFWFLSA-N 0 0 324.396 2.011 10 30 DEEERN C=C(C)COCCNC(=O)N[C@@](C)(CO)Cc1ccc(F)cc1 ZINC000636932073 406126348 /nfs/dbraw/zinc/12/63/48/406126348.db2.gz WDTCARVYGUDFPS-QGZVFWFLSA-N 0 0 324.396 2.011 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1ccc(F)cc1F ZINC000567726992 406128747 /nfs/dbraw/zinc/12/87/47/406128747.db2.gz NQBIRMWDSGLPRD-WFASDCNBSA-N 0 0 310.344 2.398 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000636965892 406135103 /nfs/dbraw/zinc/13/51/03/406135103.db2.gz RZZWEPKYJOGEFW-MCIONIFRSA-N 0 0 310.438 2.025 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)C[C@@H]1CCCCO1 ZINC000632448874 406143474 /nfs/dbraw/zinc/14/34/74/406143474.db2.gz IFZZIPLDMCSXMU-AWEZNQCLSA-N 0 0 310.438 2.123 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000637000191 406145749 /nfs/dbraw/zinc/14/57/49/406145749.db2.gz SXMAZDGBPGLUOV-CABCVRRESA-N 0 0 322.449 2.169 10 30 DEEERN C=CCNC(=O)c1ccc(N2CCC[C@@H]([C@@H]3CCOC3)C2)nc1 ZINC000533499003 406147831 /nfs/dbraw/zinc/14/78/31/406147831.db2.gz SVZDUTVFNUYZHL-HZPDHXFCSA-N 0 0 315.417 2.250 10 30 DEEERN C=CCn1c(-c2scnc2C)nnc1N1CCCOCC1 ZINC000567859750 406149569 /nfs/dbraw/zinc/14/95/69/406149569.db2.gz MUMDRJLZMPBUPR-UHFFFAOYSA-N 0 0 305.407 2.123 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(C[C@H]2CSc3ccccc3O2)C1=O ZINC000567884692 406153689 /nfs/dbraw/zinc/15/36/89/406153689.db2.gz HHZVMXCXCZIUNV-RYUDHWBXSA-N 0 0 318.398 2.426 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCC[C@@H]1CCCOC1 ZINC000637039135 406158221 /nfs/dbraw/zinc/15/82/21/406158221.db2.gz UQEFXODBCQZGET-AWEZNQCLSA-N 0 0 310.438 2.028 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CC(Cc2ccco2)C1 ZINC000637116917 406181330 /nfs/dbraw/zinc/18/13/30/406181330.db2.gz FMKBZAXARQECLZ-GOEBONIOSA-N 0 0 304.390 2.445 10 30 DEEERN C=CCOc1ccc(CNC(=O)N2CC3(C2)CCCO3)cc1 ZINC000637138448 406187210 /nfs/dbraw/zinc/18/72/10/406187210.db2.gz NWMNIJZXSGOUQL-UHFFFAOYSA-N 0 0 302.374 2.326 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000637195006 406207514 /nfs/dbraw/zinc/20/75/14/406207514.db2.gz OKUYMFDSYBJDRC-GOSISDBHSA-N 0 0 322.449 2.123 10 30 DEEERN C=CCCC1(CNC(=O)NC[C@@H](O)[C@H]2CCCO2)CCCC1 ZINC000637262087 406233635 /nfs/dbraw/zinc/23/36/35/406233635.db2.gz CKZPLQSYEAJZPH-HUUCEWRRSA-N 0 0 310.438 2.352 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)N1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000637265126 406234797 /nfs/dbraw/zinc/23/47/97/406234797.db2.gz QNCXUBJLTBMXOH-UOVPBQLFSA-N 0 0 324.465 2.144 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000637273990 406237543 /nfs/dbraw/zinc/23/75/43/406237543.db2.gz WYDOMUOLSUCLOB-QWHCGFSZSA-N 0 0 316.467 2.244 10 30 DEEERN C=CCCS(=O)(=O)N1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000632729835 406242271 /nfs/dbraw/zinc/24/22/71/406242271.db2.gz UQUNIHXWJUYSLW-CQSZACIVSA-N 0 0 317.414 2.325 10 30 DEEERN C=CCN(CCOC)C(=O)c1c(F)cncc1Br ZINC000632750277 406248360 /nfs/dbraw/zinc/24/83/60/406248360.db2.gz UYBGNKLFFVYPCN-UHFFFAOYSA-N 0 0 317.158 2.258 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000637323391 406259173 /nfs/dbraw/zinc/25/91/73/406259173.db2.gz JMNXLJMVTPZTIM-CYBMUJFWSA-N 0 0 316.467 2.197 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000537411196 406290491 /nfs/dbraw/zinc/29/04/91/406290491.db2.gz PMHGXYZJUOQZSL-GFCCVEGCSA-N 0 0 314.332 2.067 10 30 DEEERN C=CCC1(C(=O)NCC2(C(=O)OCC)CCC2)CCOCC1 ZINC000569715437 406294119 /nfs/dbraw/zinc/29/41/19/406294119.db2.gz JVUAJEUXGNPAQT-UHFFFAOYSA-N 0 0 309.406 2.209 10 30 DEEERN N#Cc1cccc(Cc2nc(CCCn3ccccc3=O)no2)c1 ZINC000545678710 406323468 /nfs/dbraw/zinc/32/34/68/406323468.db2.gz ZBYLAJINACOWAT-UHFFFAOYSA-N 0 0 320.352 2.327 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)C1CCN(Cc2nccn2C)CC1 ZINC000488875549 406357399 /nfs/dbraw/zinc/35/73/99/406357399.db2.gz KNYOODGITVYSSS-MRXNPFEDSA-N 0 0 316.449 2.199 10 30 DEEERN Cc1cc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c(C)cn1 ZINC000541877056 406300704 /nfs/dbraw/zinc/30/07/04/406300704.db2.gz KIZJKXZFFZQHKW-KRWDZBQOSA-N 0 0 317.389 2.321 10 30 DEEERN C=CCCCS(=O)(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000489464138 406409347 /nfs/dbraw/zinc/40/93/47/406409347.db2.gz OJCUKTGARDWXLB-OAHLLOKOSA-N 0 0 322.430 2.068 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000635261389 406478930 /nfs/dbraw/zinc/47/89/30/406478930.db2.gz XZMKURZLQSPJIU-UHFFFAOYSA-N 0 0 318.421 2.195 10 30 DEEERN C=CCCCCNC(=O)N1CCCC[C@@H]1CCS(C)(=O)=O ZINC000490214984 406457157 /nfs/dbraw/zinc/45/71/57/406457157.db2.gz HLYOWTUNQPVIPP-CQSZACIVSA-N 0 0 316.467 2.342 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1c2c(ccc1F)OCO2 ZINC000635207306 406460385 /nfs/dbraw/zinc/46/03/85/406460385.db2.gz OCOCAABMNOHEET-UHFFFAOYSA-N 0 0 322.336 2.356 10 30 DEEERN N#Cc1ccsc1C(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000491187255 406539586 /nfs/dbraw/zinc/53/95/86/406539586.db2.gz NIXBDZLRXJLFAB-LBPRGKRZSA-N 0 0 306.387 2.078 10 30 DEEERN N#CC1(C(=O)NCC[C@@H]2COc3ccccc3O2)CCCC1 ZINC000571470419 406524857 /nfs/dbraw/zinc/52/48/57/406524857.db2.gz TYIGGWJAXOBIKI-CYBMUJFWSA-N 0 0 300.358 2.417 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527900665 406783746 /nfs/dbraw/zinc/78/37/46/406783746.db2.gz DLNIGFPTOURHGK-OAHLLOKOSA-N 0 0 309.454 2.237 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cn2c(cccc2C)n1 ZINC000574806901 406787205 /nfs/dbraw/zinc/78/72/05/406787205.db2.gz DNUCMJJQLBEBJW-ZFWWWQNUSA-N 0 0 314.389 2.033 10 30 DEEERN N#Cc1cc(S(N)(=O)=O)cc(C(F)(F)F)c1C(F)(F)F ZINC000575341421 406806900 /nfs/dbraw/zinc/80/69/00/406806900.db2.gz XDSGDJQSLGIVBU-UHFFFAOYSA-N 0 0 318.198 2.243 10 30 DEEERN CCOC(=O)Cc1c(Br)c(C#N)ccc1[N+](=O)[O-] ZINC000575383689 406807988 /nfs/dbraw/zinc/80/79/88/406807988.db2.gz ZEVQNXBMNUCDFH-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN CCOC(=O)Cc1c(C#N)ccc(Br)c1[N+](=O)[O-] ZINC000575383362 406808206 /nfs/dbraw/zinc/80/82/06/406808206.db2.gz BWEIKNNXTSDYOM-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN CCOC(=O)Cc1cc([N+](=O)[O-])c(OC(F)(F)F)cc1C#N ZINC000575395849 406808709 /nfs/dbraw/zinc/80/87/09/406808709.db2.gz SAZXENWBNKWDEM-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN C=CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](OC(C)C)C1 ZINC000577372644 406836617 /nfs/dbraw/zinc/83/66/17/406836617.db2.gz JDJUZMYNLOXWGG-ZIAGYGMSSA-N 0 0 306.410 2.319 10 30 DEEERN N#Cc1cc(N[C@H]2C=CS(=O)(=O)C2)ccc1C(F)(F)F ZINC000128767878 195989363 /nfs/dbraw/zinc/98/93/63/195989363.db2.gz SBYXDDNUVVYMQQ-JTQLQIEISA-N 0 0 302.277 2.300 10 30 DEEERN N#Cc1cc(N[C@@H]2C=CS(=O)(=O)C2)ccc1C(F)(F)F ZINC000128768098 195989616 /nfs/dbraw/zinc/98/96/16/195989616.db2.gz SBYXDDNUVVYMQQ-SNVBAGLBSA-N 0 0 302.277 2.300 10 30 DEEERN C=CCSCCNC(=O)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000129260436 196033932 /nfs/dbraw/zinc/03/39/32/196033932.db2.gz YEWHZYZJZGRENT-LBPRGKRZSA-N 0 0 322.430 2.368 10 30 DEEERN Cc1cc(NC(=O)Cn2c(C)nnc2-c2cccc(C#N)c2)no1 ZINC000129433520 196047940 /nfs/dbraw/zinc/04/79/40/196047940.db2.gz ORNBWCJCKUUQGK-UHFFFAOYSA-N 0 0 322.328 2.060 10 30 DEEERN CC(C)n1nnnc1COc1ccc(Br)cc1C#N ZINC000131550546 196179646 /nfs/dbraw/zinc/17/96/46/196179646.db2.gz DGCUCYDYIVKVSH-UHFFFAOYSA-N 0 0 322.166 2.467 10 30 DEEERN CC(C)S(=O)(=O)Nc1ccc(Cl)cc1C#CCCO ZINC000131928098 196211149 /nfs/dbraw/zinc/21/11/49/196211149.db2.gz XJHSDMYQKOETHR-UHFFFAOYSA-N 0 0 301.795 2.224 10 30 DEEERN CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N(C)[C@H](C)CC#N ZINC000131969413 196215194 /nfs/dbraw/zinc/21/51/94/196215194.db2.gz QKCJSRPQWCAAMF-LLVKDONJSA-N 0 0 321.352 2.312 10 30 DEEERN CSCC[C@H](C)NC(=O)c1ccc(C#CCCO)cc1F ZINC000132358585 196248813 /nfs/dbraw/zinc/24/88/13/196248813.db2.gz PWCYREZUCMOJDT-LBPRGKRZSA-N 0 0 309.406 2.431 10 30 DEEERN O=C1CN(CC#Cc2ccc(Cl)cc2)[C@H]2CCCC[C@@H]2N1 ZINC000133160061 196317558 /nfs/dbraw/zinc/31/75/58/196317558.db2.gz KWXLBASYSDPPEO-HOTGVXAUSA-N 0 0 302.805 2.435 10 30 DEEERN C#CC[C@H](CC)NC(=O)c1sc2nnc(C)c(C)c2c1N ZINC000133251474 196325700 /nfs/dbraw/zinc/32/57/00/196325700.db2.gz BRCPPAYGFRQQBG-JTQLQIEISA-N 0 0 302.403 2.422 10 30 DEEERN N#CCCN(CCC#N)C(=O)c1cccc(N)c1Br ZINC000134060746 196357684 /nfs/dbraw/zinc/35/76/84/196357684.db2.gz IUOBTKNAPIPWIE-UHFFFAOYSA-N 0 0 321.178 2.301 10 30 DEEERN N#Cc1ccc(CSCC(=O)NCC2(CCO)CC2)cc1 ZINC000188003230 225006162 /nfs/dbraw/zinc/00/61/62/225006162.db2.gz DWWFERHWNIENGH-UHFFFAOYSA-N 0 0 304.415 2.070 10 30 DEEERN Cc1cc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)sc1Cl ZINC000191556631 225113297 /nfs/dbraw/zinc/11/32/97/225113297.db2.gz MYZQBVFZNLASCT-LLVKDONJSA-N 0 0 320.823 2.013 10 30 DEEERN N#CCOc1ccccc1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000194199259 225177386 /nfs/dbraw/zinc/17/73/86/225177386.db2.gz NJGCKPJOXHFZIM-GOEBONIOSA-N 0 0 300.358 2.373 10 30 DEEERN O=C(C[C@H]1CCCCC(=O)N1)NCc1ccnc2ccnn21 ZINC000328674481 225784202 /nfs/dbraw/zinc/78/42/02/225784202.db2.gz QAUDVWGQBCHFJM-LLVKDONJSA-N 0 0 301.350 2.475 10 30 DEEERN COc1cccc(CC(=O)N[C@@H](C)c2nnc3n2CCCC3)n1 ZINC000328790771 225799248 /nfs/dbraw/zinc/79/92/48/225799248.db2.gz YXQANMQTCPXWOL-NSHDSACASA-N 0 0 315.377 2.278 10 30 DEEERN Cn1cc(NC(=O)N2CC[C@H]([C@@H]3CCOC3)C2)c(C2CC2)n1 ZINC000329606913 225903552 /nfs/dbraw/zinc/90/35/52/225903552.db2.gz IFDBQVZQNNJKOE-QWHCGFSZSA-N 0 0 304.394 2.201 10 30 DEEERN O=C(N[C@H](C1CC1)C(F)(F)F)N1CCc2cncnc2C1 ZINC000329654711 225912431 /nfs/dbraw/zinc/91/24/31/225912431.db2.gz LYPIHPSLPSYXOE-LLVKDONJSA-N 0 0 300.284 2.090 10 30 DEEERN O=C(NC[C@H]1CCCCS1(=O)=O)N[C@H]1CCc2ccccc21 ZINC000329652390 225912927 /nfs/dbraw/zinc/91/29/27/225912927.db2.gz LCNXLIASZZCIFE-HIFRSBDPSA-N 0 0 322.430 2.145 10 30 DEEERN O=C(N[C@H]1COC[C@H]1n1ccnn1)[C@H]1CCCc2sccc21 ZINC000329203903 225847757 /nfs/dbraw/zinc/84/77/57/225847757.db2.gz WMPYBVBVKROCOC-RWMBFGLXSA-N 0 0 318.402 2.356 10 30 DEEERN Cn1ccc(CCNC(=O)N2CCO[C@@H](C3CCCCC3)C2)n1 ZINC000329599762 225902340 /nfs/dbraw/zinc/90/23/40/225902340.db2.gz WWVHJCJWNBUQNA-MRXNPFEDSA-N 0 0 320.437 2.158 10 30 DEEERN COCCn1cc2c(n1)[C@H](NC(=O)c1cnnc(C)c1)CCC2 ZINC000329828673 225934883 /nfs/dbraw/zinc/93/48/83/225934883.db2.gz JKMXERYNHZFLLB-CQSZACIVSA-N 0 0 315.377 2.010 10 30 DEEERN COC1CCC(CNC(=O)N2CCc3cc[nH]c(=O)c3C2)CC1 ZINC000330226397 225983623 /nfs/dbraw/zinc/98/36/23/225983623.db2.gz OTBFORCLGZSYDJ-UHFFFAOYSA-N 0 0 319.405 2.265 10 30 DEEERN N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000333262594 226104211 /nfs/dbraw/zinc/10/42/11/226104211.db2.gz UUCFYCKYBILLDV-LXFSFDBISA-N 0 0 303.406 2.326 10 30 DEEERN N#C[C@@H]1CN(Cc2ccc(OC(F)F)cc2)CCN1C1CC1 ZINC000363498839 226917319 /nfs/dbraw/zinc/91/73/19/226917319.db2.gz JFZBOICSVWFVSU-CQSZACIVSA-N 0 0 307.344 2.460 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCN1C1CC1 ZINC000367757438 226994947 /nfs/dbraw/zinc/99/49/47/226994947.db2.gz YZXOZPVULZSYRO-QGZVFWFLSA-N 0 0 320.396 2.054 10 30 DEEERN N#C[C@H]1CN(C(=O)NCc2ccccc2Cl)CCN1C1CC1 ZINC000369232836 227026869 /nfs/dbraw/zinc/02/68/69/227026869.db2.gz QVHPKOANHVAENW-AWEZNQCLSA-N 0 0 318.808 2.222 10 30 DEEERN N#C[C@@H]1CN(C(=O)NCC2(c3ccccc3)CC2)CCN1C1CC1 ZINC000369233544 227026912 /nfs/dbraw/zinc/02/69/12/227026912.db2.gz VLCSURBJPWZQHL-QGZVFWFLSA-N 0 0 324.428 2.100 10 30 DEEERN C[C@H](Cc1ccccc1F)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371708673 227076694 /nfs/dbraw/zinc/07/66/94/227076694.db2.gz HCQNTEHAZLEVIB-CJNGLKHVSA-N 0 0 315.392 2.203 10 30 DEEERN Cc1ccc([C@H]2CCCN2S(=O)(=O)N(C)C[C@H](C)C#N)o1 ZINC000372586093 227094874 /nfs/dbraw/zinc/09/48/74/227094874.db2.gz OPXRYHRZAOQNPH-DGCLKSJQSA-N 0 0 311.407 2.061 10 30 DEEERN C=CCNc1ncc(C(=O)NCC(O)(C2CC2)C2CC2)s1 ZINC000622174449 422538030 /nfs/dbraw/zinc/53/80/30/422538030.db2.gz DCUZSJMRSRDIEA-UHFFFAOYSA-N 0 0 307.419 2.022 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2nc3nc(C)cc(C)n3n2)C1 ZINC000629432629 422670306 /nfs/dbraw/zinc/67/03/06/422670306.db2.gz QURHHOBUINVUJP-GFCCVEGCSA-N 0 0 300.366 2.171 10 30 DEEERN Cc1cc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)nnc1C ZINC000359502713 424829779 /nfs/dbraw/zinc/82/97/79/424829779.db2.gz VOKXKKKKHALQCR-KRWDZBQOSA-N 0 0 324.384 3.007 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCc1c2c(nn1C)CCCC2 ZINC000362245618 424850503 /nfs/dbraw/zinc/85/05/03/424850503.db2.gz LZJSBAAVIJYJPT-KRWDZBQOSA-N 0 0 305.422 2.144 10 30 DEEERN Cc1cc(NC(=O)C[C@@H]2CCOc3ccccc32)nn1CCC#N ZINC000367209420 424867131 /nfs/dbraw/zinc/86/71/31/424867131.db2.gz PSPXDVHQUSHNJX-AWEZNQCLSA-N 0 0 324.384 3.000 10 30 DEEERN Cc1cc(C#N)nc(NC[C@@H]2CCCN(c3ccccc3)C2)n1 ZINC000367811619 424869843 /nfs/dbraw/zinc/86/98/43/424869843.db2.gz DRBOLUYDZUISBD-HNNXBMFYSA-N 0 0 307.401 2.985 10 30 DEEERN N#CCC1(O)CN(C(=O)c2ccc(OC3CCCCC3)cc2)C1 ZINC000193976999 424872143 /nfs/dbraw/zinc/87/21/43/424872143.db2.gz CPLTYHKTVVORBO-UHFFFAOYSA-N 0 0 314.385 2.499 10 30 DEEERN COC(=O)c1ccc(CNC(=O)Cc2ccc(C#N)cc2)cc1 ZINC000194706392 424877514 /nfs/dbraw/zinc/87/75/14/424877514.db2.gz REXIPYYEDKUNGR-UHFFFAOYSA-N 0 0 308.337 2.204 10 30 DEEERN C=CCOCCNC(=O)Nc1cc(C)n(-c2cccc(F)c2)n1 ZINC000365019865 424859316 /nfs/dbraw/zinc/85/93/16/424859316.db2.gz OGVMHLBFTOJQDX-UHFFFAOYSA-N 0 0 318.352 2.644 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)Nc1nnc(OC)s1 ZINC000338488532 424937030 /nfs/dbraw/zinc/93/70/30/424937030.db2.gz XNNUBXSMDOYVKA-UHFFFAOYSA-N 0 0 322.365 2.906 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C)n([C@H](C)CC)n1 ZINC000579585059 424964198 /nfs/dbraw/zinc/96/41/98/424964198.db2.gz BCVJYJGWYSZBGX-XBFCOCLRSA-N 0 0 306.410 2.875 10 30 DEEERN C=C(C)CN(C)C(=O)Nc1ccn([C@@H](CCC)C(=O)OCC)n1 ZINC000597038125 425030753 /nfs/dbraw/zinc/03/07/53/425030753.db2.gz IWNOZOBWHNUCKZ-ZDUSSCGKSA-N 0 0 322.409 2.827 10 30 DEEERN COC(=O)[C@@H](NC[C@@H]1CCC(C)(C)O1)c1cccc(C#N)c1 ZINC000187649673 266642124 /nfs/dbraw/zinc/64/21/24/266642124.db2.gz VYLTUJQYRHCSTA-GJZGRUSLSA-N 0 0 302.374 2.320 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)Nc1cc(-c2ccccc2F)on1 ZINC000455338421 425096522 /nfs/dbraw/zinc/09/65/22/425096522.db2.gz HXPXVAZIPYZSGR-NSHDSACASA-N 0 0 319.336 2.929 10 30 DEEERN C[C@H](OCCCNC(=O)Cn1ccnc1C#N)c1ccccc1 ZINC000179869464 267195891 /nfs/dbraw/zinc/19/58/91/267195891.db2.gz GSBGTUMEQDTAGX-AWEZNQCLSA-N 0 0 312.373 2.039 10 30 DEEERN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)CCS1 ZINC000173117222 267236311 /nfs/dbraw/zinc/23/63/11/267236311.db2.gz WNPPPHUTPQZYMN-VIFPVBQESA-N 0 0 316.835 2.338 10 30 DEEERN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1c1ccc(C#N)cc1F ZINC000284460320 267264634 /nfs/dbraw/zinc/26/46/34/267264634.db2.gz CPRCZZIOFQUXLM-KMFMINBZSA-N 0 0 304.365 2.454 10 30 DEEERN N#Cc1ccc(OCCNC(=O)NCc2cccc(O)c2)cc1 ZINC000174197105 268175061 /nfs/dbraw/zinc/17/50/61/268175061.db2.gz LUCRSSNMKGSTRT-UHFFFAOYSA-N 0 0 311.341 2.142 10 30 DEEERN N#Cc1cccc(CC(=O)NC[C@H](CO)Cc2ccccc2)c1 ZINC000530669627 268275692 /nfs/dbraw/zinc/27/56/92/268275692.db2.gz NFYSKJYDFQLQES-GOSISDBHSA-N 0 0 308.381 2.068 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2cccnc2-n2cccn2)c1 ZINC000530670157 268278918 /nfs/dbraw/zinc/27/89/18/268278918.db2.gz IMPNCQUFXHUICM-UHFFFAOYSA-N 0 0 303.325 2.320 10 30 DEEERN CCc1nc(C(C)(C)NC(=O)c2ncc(C#N)cc2Cl)no1 ZINC000443360669 269136633 /nfs/dbraw/zinc/13/66/33/269136633.db2.gz SKOGLAWTEOHOKA-UHFFFAOYSA-N 0 0 319.752 2.217 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)CCCO ZINC000452439568 269141996 /nfs/dbraw/zinc/14/19/96/269141996.db2.gz HSNOSXQLFUNSPK-WMLDXEAASA-N 0 0 318.417 2.486 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCOC[C@@H]1OC ZINC000295208635 277697857 /nfs/dbraw/zinc/69/78/57/277697857.db2.gz GENCMTXXBPXFHO-KSZLIROESA-N 0 0 315.413 2.179 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N(CC1CC1)[C@](C)(CC)C(=O)OC ZINC000425076506 277903538 /nfs/dbraw/zinc/90/35/38/277903538.db2.gz GDNJUWOROLMLOI-JKIFEVAISA-N 0 0 309.406 2.158 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000425036334 277919823 /nfs/dbraw/zinc/91/98/23/277919823.db2.gz IXPBMUFSTMPDMX-QEORTHHSSA-N 0 0 311.422 2.282 10 30 DEEERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccnc(C#N)c1 ZINC000193479362 279013100 /nfs/dbraw/zinc/01/31/00/279013100.db2.gz BNQSESHNCJIFPI-SNVBAGLBSA-N 0 0 308.297 2.453 10 30 DEEERN CO[C@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328736095 294488273 /nfs/dbraw/zinc/48/82/73/294488273.db2.gz JKZNJGQKVYZQDJ-RWMBFGLXSA-N 0 0 309.410 2.489 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000329616336 294819884 /nfs/dbraw/zinc/81/98/84/294819884.db2.gz FOROSLKNGHJIQV-QWHCGFSZSA-N 0 0 313.357 2.466 10 30 DEEERN [O-]C(=[NH+][C@H]1CCc2nc[nH]c2C1)N1CCc2c(F)cccc2C1 ZINC000329743963 295387876 /nfs/dbraw/zinc/38/78/76/295387876.db2.gz XOPJMAZATPDZJW-LBPRGKRZSA-N 0 0 314.364 2.378 10 30 DEEERN Cc1cnc(CN2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000328664061 302343349 /nfs/dbraw/zinc/34/33/49/302343349.db2.gz BPFRKTQSDZUGMX-ACJLOTCBSA-N 0 0 319.368 2.280 10 30 DEEERN N#Cc1cnc2ccccc2c1N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408240493 303213563 /nfs/dbraw/zinc/21/35/63/303213563.db2.gz NJUXVJAWVXDOEK-GOSISDBHSA-N 0 0 306.369 2.213 10 30 DEEERN Cc1cnc(CNC(=O)NCCOc2ccc(C#N)cc2)s1 ZINC000173796005 325737330 /nfs/dbraw/zinc/73/73/30/325737330.db2.gz XNYOTFHBWSCBPW-UHFFFAOYSA-N 0 0 316.386 2.201 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000570674212 332797183 /nfs/dbraw/zinc/79/71/83/332797183.db2.gz HTBXQPABGOZAGW-JJXSEGSLSA-N 0 0 308.422 2.178 10 30 DEEERN C=CCCCCCNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000574888087 331682989 /nfs/dbraw/zinc/68/29/89/331682989.db2.gz MFMNRMZLHUSKLW-GJZGRUSLSA-N 0 0 320.433 2.414 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc(CCC(C)C)cc1 ZINC000186668403 332942300 /nfs/dbraw/zinc/94/23/00/332942300.db2.gz DBNSBZCNRIDACM-OAHLLOKOSA-N 0 0 311.447 2.491 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(OC)c(N)c1 ZINC000573934001 332297251 /nfs/dbraw/zinc/29/72/51/332297251.db2.gz OBLJMGLEGWLXKX-UHFFFAOYSA-N 0 0 305.378 2.079 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CCCC#N ZINC000111326179 332304489 /nfs/dbraw/zinc/30/44/89/332304489.db2.gz IUXZLEHUMYWBNL-UHFFFAOYSA-N 0 0 310.331 2.336 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000560566066 332360309 /nfs/dbraw/zinc/36/03/09/332360309.db2.gz PUIWAPGRWXSMGS-QCODTGAPSA-N 0 0 308.422 2.055 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000561184840 332421854 /nfs/dbraw/zinc/42/18/54/332421854.db2.gz ZOXILVHZFIJEKN-JOYOIKCWSA-N 0 0 322.352 2.017 10 30 DEEERN C=C(C)Cn1c(N2CCC[C@H](OC)C2)nnc1[C@@]1(C)CCCO1 ZINC000562785111 332625964 /nfs/dbraw/zinc/62/59/64/332625964.db2.gz ZDRPYTRFALINKU-WMLDXEAASA-N 0 0 320.437 2.495 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@H]1c1nc(C)no1 ZINC000569716383 332669490 /nfs/dbraw/zinc/66/94/90/332669490.db2.gz BVTAVHLQGVKAJD-IHRRRGAJSA-N 0 0 320.393 2.206 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CCO[C@H](c2cccc(O)c2)C1 ZINC000570097849 332711501 /nfs/dbraw/zinc/71/15/01/332711501.db2.gz DZYAGXUMUSACFH-INIZCTEOSA-N 0 0 314.389 2.446 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1ccc(C)cc1OC ZINC000570410541 332751721 /nfs/dbraw/zinc/75/17/21/332751721.db2.gz QOEPDKVPGNDZSY-UHFFFAOYSA-N 0 0 318.417 2.482 10 30 DEEERN COc1ccc([C@H](C)NS(=O)(=O)CCCC#N)cc1F ZINC000111325971 333329054 /nfs/dbraw/zinc/32/90/54/333329054.db2.gz WXAZWIQUFHXGRQ-JTQLQIEISA-N 0 0 300.355 2.118 10 30 DEEERN CCOc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000365242429 333400194 /nfs/dbraw/zinc/40/01/94/333400194.db2.gz VBFDQLDNIIMRCR-OAHLLOKOSA-N 0 0 314.389 2.289 10 30 DEEERN C=CCOc1cccc(NC(=O)NC2(CC(=O)OC)CC2)c1 ZINC000563222377 333486533 /nfs/dbraw/zinc/48/65/33/333486533.db2.gz JWGDJUYFPRBKAI-UHFFFAOYSA-N 0 0 304.346 2.469 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000366758096 334507595 /nfs/dbraw/zinc/50/75/95/334507595.db2.gz OCVIEJMWPGPWPP-ZNFSNMQZSA-N 0 0 323.433 2.153 10 30 DEEERN C=CCSCCNC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000344183808 335228264 /nfs/dbraw/zinc/22/82/64/335228264.db2.gz TWJMHVIXJNKMPY-OLZOCXBDSA-N 0 0 300.468 2.344 10 30 DEEERN C=CCCCNC(=O)C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000345803766 335352240 /nfs/dbraw/zinc/35/22/40/335352240.db2.gz KYJCBDDFGASUTN-NSHDSACASA-N 0 0 310.344 2.267 10 30 DEEERN C=CCNC(=O)c1cccc(-c2noc(-c3nccc(C)n3)n2)c1 ZINC000346116107 335375777 /nfs/dbraw/zinc/37/57/77/335375777.db2.gz WACJZVNBPZHTMV-UHFFFAOYSA-N 0 0 321.340 2.418 10 30 DEEERN C=CCn1nnnc1SCc1cc2ccccc2n(C)c1=O ZINC000518887205 335677692 /nfs/dbraw/zinc/67/76/92/335677692.db2.gz GTHXABHPHQWIKV-UHFFFAOYSA-N 0 0 313.386 2.003 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NC(C)(C)C3CC3)cc2C1=O ZINC000536566916 335839251 /nfs/dbraw/zinc/83/92/51/335839251.db2.gz ZVBORFMYCRBFSF-UHFFFAOYSA-N 0 0 312.369 2.387 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)OC)[C@H]1CCC[C@H](OC)C1 ZINC000514606594 336386006 /nfs/dbraw/zinc/38/60/06/336386006.db2.gz CAFCYZKLGIQOGY-AJNGGQMLSA-N 0 0 311.422 2.452 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(-c2ccccc2)nn1C ZINC000582601359 337111911 /nfs/dbraw/zinc/11/19/11/337111911.db2.gz IPYNVEGJYGZGEO-YOEHRIQHSA-N 0 0 311.385 2.408 10 30 DEEERN C=C(C)CN(C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000180299270 337175652 /nfs/dbraw/zinc/17/56/52/337175652.db2.gz IJZAJSKFPDPNCN-LBPRGKRZSA-N 0 0 310.419 2.369 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1cc2ccccc2[nH]c1=O ZINC000583317436 337314623 /nfs/dbraw/zinc/31/46/23/337314623.db2.gz ITAQNUKOIXCGEN-BBRMVZONSA-N 0 0 312.369 2.190 10 30 DEEERN C#CC[C@H](Cc1cc(OC)c(OC)c(OC)c1)C(=O)OCC ZINC000584596229 337374185 /nfs/dbraw/zinc/37/41/85/337374185.db2.gz FOVBAXRQLRWHAH-CYBMUJFWSA-N 0 0 306.358 2.458 10 30 DEEERN CCOc1ncc(Br)cc1[C@@]1(C=O)CCOC1 ZINC000584632678 337377199 /nfs/dbraw/zinc/37/71/99/337377199.db2.gz WJWARFVRHZDLNA-GFCCVEGCSA-N 0 0 300.152 2.100 10 30 DEEERN C=C(C)c1ncnc2c1[nH]c(N)c2S(=O)(=O)c1ccccc1 ZINC000584638657 337379705 /nfs/dbraw/zinc/37/97/05/337379705.db2.gz DWFXJZCBWXSADJ-UHFFFAOYSA-N 0 0 314.370 2.406 10 30 DEEERN C[C@@H](c1ccc(/C=N/NO)cc1)N(C)CC(=O)OC(C)(C)C ZINC000584642386 337380171 /nfs/dbraw/zinc/38/01/71/337380171.db2.gz HOIPLWLYLCFMIX-VAKHEIKFSA-N 0 0 307.394 2.334 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000265517252 337633364 /nfs/dbraw/zinc/63/33/64/337633364.db2.gz HFNSOSGUHZDPNA-UHFFFAOYSA-N 0 0 322.430 2.166 10 30 DEEERN C=CCn1cc(CNCc2ncc(C(F)(F)F)s2)nn1 ZINC000424168426 337790798 /nfs/dbraw/zinc/79/07/98/337790798.db2.gz FRKOHULYTSBDDU-UHFFFAOYSA-N 0 0 303.313 2.229 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cn(C)nc1C1CC1 ZINC000514871557 337973852 /nfs/dbraw/zinc/97/38/52/337973852.db2.gz QFKOCXZDYXGVEE-UHFFFAOYSA-N 0 0 304.394 2.099 10 30 DEEERN C=CCn1c(N)nnc1SCc1ccc(OC)c(C#N)c1 ZINC000162871206 338402763 /nfs/dbraw/zinc/40/27/63/338402763.db2.gz ONEQBKLQECQODX-UHFFFAOYSA-N 0 0 301.375 2.219 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)Cc1ccc(C)c(C)c1 ZINC000451912712 338748145 /nfs/dbraw/zinc/74/81/45/338748145.db2.gz UTYGAKMTEVQDFA-CVEARBPZSA-N 0 0 309.431 2.456 10 30 DEEERN C=CCOc1ccc(CN(CC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000505563404 340171153 /nfs/dbraw/zinc/17/11/53/340171153.db2.gz FJUCWTZQCPNJAK-HNNXBMFYSA-N 0 0 309.431 2.260 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1C[C@H](OCC)C1(C)C ZINC000516863596 340457512 /nfs/dbraw/zinc/45/75/12/340457512.db2.gz MPOLUHMMXIHOST-AJNGGQMLSA-N 0 0 310.438 2.423 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCC[C@@H]1c1ccc(=O)[nH]n1)OCC ZINC000530081538 340779015 /nfs/dbraw/zinc/77/90/15/340779015.db2.gz ZBWVGSLDYSJAIT-ZIAGYGMSSA-N 0 0 305.378 2.217 10 30 DEEERN Cc1ccc(S(=O)(=O)NC(C)(C)C#N)cc1Br ZINC000542709656 341018585 /nfs/dbraw/zinc/01/85/85/341018585.db2.gz ZYWMFPOFTXLSKI-UHFFFAOYSA-N 0 0 317.208 2.338 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccccc1OCc1ccncc1 ZINC000545991518 341150020 /nfs/dbraw/zinc/15/00/20/341150020.db2.gz UTQVHGUIJQSTNU-OAHLLOKOSA-N 0 0 312.369 2.327 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000546697597 341179314 /nfs/dbraw/zinc/17/93/14/341179314.db2.gz OFORAOHSQDTUQY-NSHDSACASA-N 0 0 317.414 2.219 10 30 DEEERN C=CCn1c(-c2cccnc2)nnc1N1CCO[C@H](C2CC2)C1 ZINC000548849807 341277971 /nfs/dbraw/zinc/27/79/71/341277971.db2.gz ISJNGMGAOCTTAV-HNNXBMFYSA-N 0 0 311.389 2.141 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ncccc1OCCCC#N ZINC000081534231 341295431 /nfs/dbraw/zinc/29/54/31/341295431.db2.gz JMELARJNSCQKQK-UHFFFAOYSA-N 0 0 309.329 2.227 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](c1ccccc1)n1cccn1 ZINC000564860443 341511675 /nfs/dbraw/zinc/51/16/75/341511675.db2.gz NHAVRFJYXSTFEJ-YESZJQIVSA-N 0 0 311.385 2.180 10 30 DEEERN C=CCCCCCNC(=O)CNC(=O)c1ccccc1OC ZINC000565205120 341520049 /nfs/dbraw/zinc/52/00/49/341520049.db2.gz AKUJKFUCISROBU-UHFFFAOYSA-N 0 0 304.390 2.288 10 30 DEEERN C=CCCCCCNC(=O)CNC(=O)NCc1ccc(F)cc1 ZINC000568663096 341677937 /nfs/dbraw/zinc/67/79/37/341677937.db2.gz RZNICTHXEUGHCO-UHFFFAOYSA-N 0 0 321.396 2.488 10 30 DEEERN C=CCNc1nnc(SCc2cn(C)nc2[N+](=O)[O-])s1 ZINC000603304787 483932366 /nfs/dbraw/zinc/93/23/66/483932366.db2.gz XBKUEAPIZQHXJQ-UHFFFAOYSA-N 0 0 312.380 2.070 10 30 DEEERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C[C@H]2CCCCC(=O)N2)CC1=O ZINC000328837583 533735379 /nfs/dbraw/zinc/73/53/79/533735379.db2.gz TUJTUTPFNSQMFO-LPWJVIDDSA-N 0 0 307.394 2.241 10 30 DEEERN COc1cc(CCC(=O)N[C@@H](C#N)C2CC2)cc(OC)c1OC ZINC000108838304 533750977 /nfs/dbraw/zinc/75/09/77/533750977.db2.gz YMAVKLPQIIHGKD-ZDUSSCGKSA-N 0 0 318.373 2.063 10 30 DEEERN Cc1c(C(=O)N2CCN(CC#N)CC2)sc2nccc(C)c12 ZINC000408248511 533752523 /nfs/dbraw/zinc/75/25/23/533752523.db2.gz DZIKAKAFOLZVON-UHFFFAOYSA-N 0 0 314.414 2.195 10 30 DEEERN Cc1c(C(=O)N2CCO[C@H](C#N)C2)sc2nccc(C)c12 ZINC000408096119 533759676 /nfs/dbraw/zinc/75/96/76/533759676.db2.gz VVEVZXBTVIVTLD-LLVKDONJSA-N 0 0 301.371 2.278 10 30 DEEERN Cc1cc(Cl)ncc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000370685359 533798425 /nfs/dbraw/zinc/79/84/25/533798425.db2.gz AIFXVXBZMGLKTR-GFCCVEGCSA-N 0 0 319.796 2.248 10 30 DEEERN Cc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(F)c1 ZINC000362936173 534180239 /nfs/dbraw/zinc/18/02/39/534180239.db2.gz QWCQZSDCOKCTGJ-CYBMUJFWSA-N 0 0 302.353 2.338 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CC[C@H]([C@H](O)C(F)(F)F)C1)OCC ZINC000456679194 534331470 /nfs/dbraw/zinc/33/14/70/534331470.db2.gz HCNICKMFLWOGGG-GVXVVHGQSA-N 0 0 309.328 2.129 10 30 DEEERN Cn1nnc2c1C[C@H](C(=O)N[C@H]1CCc3ccccc3C1=O)CC2 ZINC000330174383 534337534 /nfs/dbraw/zinc/33/75/34/534337534.db2.gz IDZGFTCULSSSGD-DOMZBBRYSA-N 0 0 324.384 2.074 10 30 DEEERN CC(C)[C@@H](C)CC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000246993576 519790205 /nfs/dbraw/zinc/79/02/05/519790205.db2.gz GPVPANSFFZCSST-UONOGXRCSA-N 0 0 315.421 2.068 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@](C)(O)CC1)CCC2 ZINC000329970259 534511245 /nfs/dbraw/zinc/51/12/45/534511245.db2.gz XULJTYBBKAVLEU-YOEHRIQHSA-N 0 0 320.437 2.220 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1OC ZINC000449933846 534580569 /nfs/dbraw/zinc/58/05/69/534580569.db2.gz FITRHTNJJFHTPB-YUFPNPJJSA-N 0 0 301.386 2.433 10 30 DEEERN N#CCCCCNC(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000178686728 534599441 /nfs/dbraw/zinc/59/94/41/534599441.db2.gz QDUICUTVOHWAIM-HNNXBMFYSA-N 0 0 303.362 2.169 10 30 DEEERN C=CCCCCNC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C ZINC000471711850 534687144 /nfs/dbraw/zinc/68/71/44/534687144.db2.gz JDDFFEGVILTJQH-HNNXBMFYSA-N 0 0 303.406 2.309 10 30 DEEERN Cn1cc([C@H]2OCCC[C@@H]2NC(=O)NCC2(C3CC3)CC2)cn1 ZINC000328637558 534757790 /nfs/dbraw/zinc/75/77/90/534757790.db2.gz WANZHOMRZRITIC-LSDHHAIUSA-N 0 0 318.421 2.334 10 30 DEEERN N#C[C@H]1CN([C@@H]2CCCN(c3ccccc3Cl)C2=O)CCO1 ZINC000246533270 534758382 /nfs/dbraw/zinc/75/83/82/534758382.db2.gz CINJGHXNOQFXPP-SWLSCSKDSA-N 0 0 319.792 2.060 10 30 DEEERN C[C@H]1CN(C(=O)c2sccc2C#N)C[C@]2(CCCOC2)O1 ZINC000373604198 524551404 /nfs/dbraw/zinc/55/14/04/524551404.db2.gz OXDJPVBIESJZBH-NHYWBVRUSA-N 0 0 306.387 2.030 10 30 DEEERN C=CCN(C[C@@H]1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000359598035 526330882 /nfs/dbraw/zinc/33/08/82/526330882.db2.gz OZNDAGIFTHABFZ-CRAIPNDOSA-N 0 0 319.470 2.467 10 30 DEEERN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1COC(=O)N1 ZINC000282953800 526333831 /nfs/dbraw/zinc/33/38/31/526333831.db2.gz LEMMJLXTIPGQIY-SECBINFHSA-N 0 0 300.767 2.025 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NC1CC1 ZINC000411193564 526349342 /nfs/dbraw/zinc/34/93/42/526349342.db2.gz OEWMLJGWCFMQHO-LBPRGKRZSA-N 0 0 303.362 2.250 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H]3C)cc2C1=O ZINC000337137308 526411561 /nfs/dbraw/zinc/41/15/61/526411561.db2.gz FHYILCCDJYGTFG-XHDPSFHLSA-N 0 0 312.369 2.387 10 30 DEEERN C=CCN1CC(=O)N(C2CCN(c3cccs3)CC2)C1=O ZINC000368437042 526413093 /nfs/dbraw/zinc/41/30/93/526413093.db2.gz CIXUADJHOFFZTB-UHFFFAOYSA-N 0 0 305.403 2.167 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)CC2CC(OC(C)(C)C)C2)C1=O ZINC000337069404 526459410 /nfs/dbraw/zinc/45/94/10/526459410.db2.gz MCHYISBILOTJBT-YMAMQOFZSA-N 0 0 322.449 2.216 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)Cc2c(C)cccc2Cl)C1=O ZINC000337076697 526460117 /nfs/dbraw/zinc/46/01/17/526460117.db2.gz RCLOGYYCAOSCJX-OAHLLOKOSA-N 0 0 320.820 2.436 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)Cc2cccc(CC)c2)C1=O ZINC000337041175 526492665 /nfs/dbraw/zinc/49/26/65/526492665.db2.gz BEIJXKNDJQVJPY-INIZCTEOSA-N 0 0 300.402 2.037 10 30 DEEERN C=C(C)CN(C)C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000441784876 526494146 /nfs/dbraw/zinc/49/41/46/526494146.db2.gz FWLGFPLXYHDUAV-UHFFFAOYSA-N 0 0 314.393 2.373 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)C1=O ZINC000337085035 526494926 /nfs/dbraw/zinc/49/49/26/526494926.db2.gz DBXPGIZWIOLHDQ-QMCVQRASSA-N 0 0 312.413 2.281 10 30 DEEERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000188619009 526504012 /nfs/dbraw/zinc/50/40/12/526504012.db2.gz OQHIFAGMLVGSTH-CYBMUJFWSA-N 0 0 316.357 2.068 10 30 DEEERN C=CCN1CC[C@H](N(C)c2ncc(C(F)(F)F)s2)C1=O ZINC000281727685 526503947 /nfs/dbraw/zinc/50/39/47/526503947.db2.gz DIBIMZNUJVZAJG-QMMMGPOBSA-N 0 0 305.325 2.385 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCOC[C@@H]2C)cc1 ZINC000194095966 526651676 /nfs/dbraw/zinc/65/16/76/526651676.db2.gz JDCPAZNHFQYVSF-WFASDCNBSA-N 0 0 302.374 2.214 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000368568516 526674977 /nfs/dbraw/zinc/67/49/77/526674977.db2.gz RKFFUCGQUNJCPO-HNNXBMFYSA-N 0 0 316.351 2.323 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000373015065 526675074 /nfs/dbraw/zinc/67/50/74/526675074.db2.gz OYLUHHPLNLIMQD-AWEZNQCLSA-N 0 0 316.351 2.323 10 30 DEEERN C=C(C)CS(=O)(=O)NCCOCc1ccc(Cl)cc1 ZINC000435435742 526681552 /nfs/dbraw/zinc/68/15/52/526681552.db2.gz ZIDDHBULZYOGPQ-UHFFFAOYSA-N 0 0 303.811 2.352 10 30 DEEERN C=CCOCC(=O)N(CC(N)=O)[C@@H](C)c1ccc(CCC)cc1 ZINC000354726231 526686977 /nfs/dbraw/zinc/68/69/77/526686977.db2.gz IWMYDSINYFOWOO-AWEZNQCLSA-N 0 0 318.417 2.217 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@H](CO)Cc1ccc(OC)c(O)c1 ZINC000344022546 526711883 /nfs/dbraw/zinc/71/18/83/526711883.db2.gz XTPWUVXZTSUSQS-DZGCQCFKSA-N 0 0 321.417 2.270 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC000338826618 526722239 /nfs/dbraw/zinc/72/22/39/526722239.db2.gz BZCMPIFIEGZDBZ-CQSZACIVSA-N 0 0 305.426 2.083 10 30 DEEERN C=CCOCCCC(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000172943765 526729545 /nfs/dbraw/zinc/72/95/45/526729545.db2.gz PWTFBYLADHJZDY-HNNXBMFYSA-N 0 0 324.465 2.369 10 30 DEEERN C=CCOCCCC(=O)N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000366802628 526737386 /nfs/dbraw/zinc/73/73/86/526737386.db2.gz QQPLIUVOPNCSHQ-ZOBUZTSGSA-N 0 0 311.422 2.154 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)c1ccncc1OC ZINC000437868668 526777325 /nfs/dbraw/zinc/77/73/25/526777325.db2.gz LFVLCFIXHHRQMS-ZENOOKHLSA-N 0 0 319.405 2.432 10 30 DEEERN C=CCOCCNC(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000371569010 526779857 /nfs/dbraw/zinc/77/98/57/526779857.db2.gz BBXFUJMNUYREAO-GFCCVEGCSA-N 0 0 316.361 2.299 10 30 DEEERN C=CCOCCNC(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000378539180 526780584 /nfs/dbraw/zinc/78/05/84/526780584.db2.gz BHBFPYRZIIDYRF-UHFFFAOYSA-N 0 0 304.325 2.336 10 30 DEEERN C=CCOCCNC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000376842657 526781104 /nfs/dbraw/zinc/78/11/04/526781104.db2.gz MZMUNKSPLBOOIV-AWEZNQCLSA-N 0 0 322.792 2.012 10 30 DEEERN N#Cc1nccn1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000179882471 526793594 /nfs/dbraw/zinc/79/35/94/526793594.db2.gz XHJYUPDHWIJHLM-UHFFFAOYSA-N 0 0 323.337 2.361 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(CO)c(F)c1 ZINC000281653809 526797840 /nfs/dbraw/zinc/79/78/40/526797840.db2.gz XCUPQJONGGPXPG-BBRMVZONSA-N 0 0 322.380 2.098 10 30 DEEERN C=C(C)[C@H](CC(=O)NC[C@H]1COc2ccccc2O1)OCC ZINC000339433569 526813450 /nfs/dbraw/zinc/81/34/50/526813450.db2.gz NASYGVFLVNSXKE-BBRMVZONSA-N 0 0 305.374 2.314 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](O)CC[C@H]1C ZINC000422130096 526826686 /nfs/dbraw/zinc/82/66/86/526826686.db2.gz UQEJDFYVVGACAG-OLZOCXBDSA-N 0 0 305.374 2.245 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC=C(c2ccnn2C)CC1 ZINC000376637810 526837676 /nfs/dbraw/zinc/83/76/76/526837676.db2.gz UIFUXMAGVXDQSM-GDBMZVCRSA-N 0 0 301.390 2.017 10 30 DEEERN C=C(CN1C(=O)N[C@@H](Cc2ccccn2)C1=O)c1ccccc1 ZINC000348949972 526863209 /nfs/dbraw/zinc/86/32/09/526863209.db2.gz AQQQMHKZSYVZGS-INIZCTEOSA-N 0 0 307.353 2.258 10 30 DEEERN Cc1nc(CNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)no1 ZINC000157817773 526882033 /nfs/dbraw/zinc/88/20/33/526882033.db2.gz HSFNAZJVRMZWHH-UHFFFAOYSA-N 0 0 315.333 2.359 10 30 DEEERN C=CCOc1ccccc1CNC(=O)c1cn(C(C)C)nn1 ZINC000340177446 526949322 /nfs/dbraw/zinc/94/93/22/526949322.db2.gz GZYMPWBCHIYRKY-UHFFFAOYSA-N 0 0 300.362 2.354 10 30 DEEERN C=CC[C@@H](C(=O)N1CCN([C@@H](CC)CO)CC1)c1ccccc1 ZINC000186989216 527015198 /nfs/dbraw/zinc/01/51/98/527015198.db2.gz VWHOQQQFXTVDHI-ZWKOTPCHSA-N 0 0 316.445 2.261 10 30 DEEERN C=CC[C@@H](C(=O)NC[C@@]1(CCO)CCOC1)c1ccccc1 ZINC000186548886 527015888 /nfs/dbraw/zinc/01/58/88/527015888.db2.gz ZXAPCLUHXWTDPY-SJLPKXTDSA-N 0 0 303.402 2.252 10 30 DEEERN C#CCNC(=O)[C@H](C)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000249148536 527027718 /nfs/dbraw/zinc/02/77/18/527027718.db2.gz XGJLHZZBUUXYKZ-QWHCGFSZSA-N 0 0 306.356 2.282 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1n1cccn1 ZINC000342027177 527031364 /nfs/dbraw/zinc/03/13/64/527031364.db2.gz PWNVELPLRJHWKP-OAGGEKHMSA-N 0 0 303.406 2.486 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)C(=O)Nc1c(C)c(C)ccc1Cl ZINC000411356636 527056392 /nfs/dbraw/zinc/05/63/92/527056392.db2.gz UQJFRNKGUCTKQS-GFCCVEGCSA-N 0 0 324.808 2.196 10 30 DEEERN C=CCC1(C(=O)Nc2ccc(C)c(C(N)=O)c2)CCOCC1 ZINC000424636089 527060595 /nfs/dbraw/zinc/06/05/95/527060595.db2.gz HGVSTYCSZNFQJM-UHFFFAOYSA-N 0 0 302.374 2.405 10 30 DEEERN C#CCOCCC(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000367978003 527062502 /nfs/dbraw/zinc/06/25/02/527062502.db2.gz NJRQAGTVLVPCQF-CQSZACIVSA-N 0 0 317.389 2.431 10 30 DEEERN C=CCCC(=O)N1CCCN(C(=O)c2scnc2C)CC1 ZINC000368885546 527069804 /nfs/dbraw/zinc/06/98/04/527069804.db2.gz MJBHLXJVOQKIFF-UHFFFAOYSA-N 0 0 307.419 2.092 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000183427294 527095176 /nfs/dbraw/zinc/09/51/76/527095176.db2.gz AZMPZFLPPRSLRG-YPMHNXCESA-N 0 0 320.389 2.467 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)N1CCO[C@@H](C2CCC2)C1 ZINC000414604211 527118101 /nfs/dbraw/zinc/11/81/01/527118101.db2.gz ZCQNMFTXXGJPND-MRXNPFEDSA-N 0 0 322.449 2.219 10 30 DEEERN C=CC[C@H](CC)NC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000330805132 527142795 /nfs/dbraw/zinc/14/27/95/527142795.db2.gz KNMNUKDXCPJQSC-UONOGXRCSA-N 0 0 305.426 2.247 10 30 DEEERN C#CCSCCNC(=O)NCCc1cccc2[nH]ccc21 ZINC000281752431 527144110 /nfs/dbraw/zinc/14/41/10/527144110.db2.gz BUUCDXKUAWBRAQ-UHFFFAOYSA-N 0 0 301.415 2.376 10 30 DEEERN C=CCCCCNC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000373600167 527152706 /nfs/dbraw/zinc/15/27/06/527152706.db2.gz BFSCKBWFBAKTBA-UHFFFAOYSA-N 0 0 317.437 2.475 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000287345487 527161949 /nfs/dbraw/zinc/16/19/49/527161949.db2.gz NDNKDPZGEQJBCI-RDJZCZTQSA-N 0 0 307.397 2.265 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)C1Cc2ccccc2C1 ZINC000299228028 527172084 /nfs/dbraw/zinc/17/20/84/527172084.db2.gz XQURGLSXPHXEPJ-UHFFFAOYSA-N 0 0 300.402 2.037 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000285634071 527172931 /nfs/dbraw/zinc/17/29/31/527172931.db2.gz KYRREITYADASGA-BFYDXBDKSA-N 0 0 300.402 2.440 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H]1C[C@H](OC(C)C)C1(C)C ZINC000346783622 527178278 /nfs/dbraw/zinc/17/82/78/527178278.db2.gz QWCWKYJHMCDNLJ-KBPBESRZSA-N 0 0 310.438 2.119 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cnn(CC(C)C)c1C ZINC000346893255 527181738 /nfs/dbraw/zinc/18/17/38/527181738.db2.gz ARBGGFFWWPDDKM-UHFFFAOYSA-N 0 0 306.410 2.211 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCCCN(C)c1ccccc1 ZINC000183178970 527195439 /nfs/dbraw/zinc/19/54/39/527195439.db2.gz SEEGKDRSEVDUDI-OAHLLOKOSA-N 0 0 305.422 2.139 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000376351344 527199939 /nfs/dbraw/zinc/19/99/39/527199939.db2.gz KJGQZMKEFNNWBG-IAGOWNOFSA-N 0 0 318.417 2.391 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000337068925 527208142 /nfs/dbraw/zinc/20/81/42/527208142.db2.gz LSKLTOZLVZYMJL-OAHLLOKOSA-N 0 0 323.352 2.412 10 30 DEEERN C#C[C@@H](C)NC(=O)NCCc1coc(-c2ccc(OC)cc2)n1 ZINC000378065894 527222513 /nfs/dbraw/zinc/22/25/13/527222513.db2.gz DTBDZSBOQAVBFN-GFCCVEGCSA-N 0 0 313.357 2.214 10 30 DEEERN C=CCCN(C)C(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000342045063 527314906 /nfs/dbraw/zinc/31/49/06/527314906.db2.gz XEECCIWCNXNIHN-AWEZNQCLSA-N 0 0 306.431 2.316 10 30 DEEERN C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC000337874020 527347926 /nfs/dbraw/zinc/34/79/26/527347926.db2.gz XJUNAKJDWMJKGF-JSGCOSHPSA-N 0 0 305.426 2.083 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H](C)CC1 ZINC000289689743 527352716 /nfs/dbraw/zinc/35/27/16/527352716.db2.gz NTJKJFRRINEOOM-KGLIPLIRSA-N 0 0 306.410 2.178 10 30 DEEERN CC(=O)c1cccc(OCC(=O)N(C[C@@H](C)C#N)C2CC2)c1 ZINC000338303672 527371303 /nfs/dbraw/zinc/37/13/03/527371303.db2.gz MTIPAGYBENUEHT-LBPRGKRZSA-N 0 0 300.358 2.419 10 30 DEEERN CC(=O)c1cccc(S(=O)(=O)N(C[C@@H](C)C#N)C2CC2)c1 ZINC000338325862 527387218 /nfs/dbraw/zinc/38/72/18/527387218.db2.gz RGDCJPHWGRGNDJ-NSHDSACASA-N 0 0 306.387 2.202 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000338097495 527388926 /nfs/dbraw/zinc/38/89/26/527388926.db2.gz JHNGLQLVBQNTEC-LSDHHAIUSA-N 0 0 324.465 2.367 10 30 DEEERN C=CCC[C@@H](C(=O)N1CCN2CCOC[C@H]2C1)c1ccccc1 ZINC000375280697 527422360 /nfs/dbraw/zinc/42/23/60/527422360.db2.gz XNMZQJGOMOYXDR-QZTJIDSGSA-N 0 0 314.429 2.279 10 30 DEEERN C#Cc1ccc(CNC(=O)CNC(=O)CCC2CCCC2)cc1 ZINC000295319870 527433078 /nfs/dbraw/zinc/43/30/78/527433078.db2.gz CLCOOFFLXCMVKZ-UHFFFAOYSA-N 0 0 312.413 2.371 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CCN(C)c1ccccc1 ZINC000425569834 527493936 /nfs/dbraw/zinc/49/39/36/527493936.db2.gz ZYCHCCFCCUABFL-RDJZCZTQSA-N 0 0 317.433 2.355 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cc(OC)ccc1OC ZINC000425403076 527496048 /nfs/dbraw/zinc/49/60/48/527496048.db2.gz SUDGZBKMIMBWQJ-WFASDCNBSA-N 0 0 320.389 2.094 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CCCO1 ZINC000337534338 527497669 /nfs/dbraw/zinc/49/76/69/527497669.db2.gz FWPACDKWBNYTHO-OAHLLOKOSA-N 0 0 316.401 2.381 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N1C[C@H](O)CC[C@H]1C ZINC000421316122 527499531 /nfs/dbraw/zinc/49/95/31/527499531.db2.gz WPTXDCCYDQQSRK-UKRRQHHQSA-N 0 0 316.401 2.116 10 30 DEEERN C=CCCc1ccccc1NC(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000425679684 527509435 /nfs/dbraw/zinc/50/94/35/527509435.db2.gz YBSSNKIPRQOUCQ-AWEZNQCLSA-N 0 0 315.373 2.074 10 30 DEEERN C=CCN(C(=O)[C@H]1CCCO1)c1nc(C(=O)OCC)cs1 ZINC000337035618 527547010 /nfs/dbraw/zinc/54/70/10/527547010.db2.gz GFFLAQLDUISTEL-LLVKDONJSA-N 0 0 310.375 2.018 10 30 DEEERN C=C[C@H](C)NC(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000441739923 527564820 /nfs/dbraw/zinc/56/48/20/527564820.db2.gz GVUBYMPJWIJMTN-NSHDSACASA-N 0 0 300.366 2.029 10 30 DEEERN C=C[C@H](CC(=O)NCCc1nnc2n1CCC2)c1ccccc1 ZINC000340117326 527576316 /nfs/dbraw/zinc/57/63/16/527576316.db2.gz KDOQBTSLEXXBFA-CQSZACIVSA-N 0 0 310.401 2.243 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cc(C(=O)OCC)no1 ZINC000448825805 527588213 /nfs/dbraw/zinc/58/82/13/527588213.db2.gz RWLFGRJTNMWYOP-UHFFFAOYSA-N 0 0 306.240 2.042 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000188496929 527621248 /nfs/dbraw/zinc/62/12/48/527621248.db2.gz KMDVHBNUNUUKDH-BLLLJJGKSA-N 0 0 306.410 2.020 10 30 DEEERN CCCN(C(=O)NCC1(C)COC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000329566173 527718960 /nfs/dbraw/zinc/71/89/60/527718960.db2.gz KTYJHMVVKXBQDW-BFHYXJOUSA-N 0 0 310.438 2.462 10 30 DEEERN CC1(C)Oc2ccc(NC(=O)CN3CC(=O)NC3=O)cc2O1 ZINC000329208030 527815175 /nfs/dbraw/zinc/81/51/75/527815175.db2.gz FKIBYJFSLWMZCO-UHFFFAOYSA-N 0 0 305.290 2.174 10 30 DEEERN CCN(CCC#N)C(=O)CN1CCCC[C@H]1c1nccs1 ZINC000195370681 528357958 /nfs/dbraw/zinc/35/79/58/528357958.db2.gz NUGYNUMHAVCEIE-ZDUSSCGKSA-N 0 0 306.435 2.432 10 30 DEEERN CCCc1cnc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 ZINC000378459483 528654264 /nfs/dbraw/zinc/65/42/64/528654264.db2.gz ZUNOBWRKOAUKDN-LBPRGKRZSA-N 0 0 319.434 2.300 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)[C@H]3CCCS3)C2)n1 ZINC000328608942 528746334 /nfs/dbraw/zinc/74/63/34/528746334.db2.gz BTAPGTIWMAVDIR-NWDGAFQWSA-N 0 0 308.407 2.160 10 30 DEEERN CC(C)[C@H](C)CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193008133 528943485 /nfs/dbraw/zinc/94/34/85/528943485.db2.gz YVODGUJEHILSRH-GFCCVEGCSA-N 0 0 318.421 2.462 10 30 DEEERN CC(C)(C)n1cc(CNc2cnn(-c3ncccc3C#N)c2)nn1 ZINC000191600580 534958069 /nfs/dbraw/zinc/95/80/69/534958069.db2.gz KSRBUANHINLKCF-UHFFFAOYSA-N 0 0 322.376 2.098 10 30 DEEERN CC(C)N1C(=O)CN(C(=O)c2cc(C#N)cs2)CC1(C)C ZINC000408415605 535127515 /nfs/dbraw/zinc/12/75/15/535127515.db2.gz KPCCFNBPDOUESX-UHFFFAOYSA-N 0 0 305.403 2.091 10 30 DEEERN CC1(C)CN(C(=O)c2cccc(F)c2C#N)C[C@@]2(CCOC2)O1 ZINC000373619530 535350978 /nfs/dbraw/zinc/35/09/78/535350978.db2.gz SLNVIJSWZLUWIL-QGZVFWFLSA-N 0 0 318.348 2.107 10 30 DEEERN CC[C@@]1(CO)CCCN1C(=O)[C@H](C)Oc1ccccc1C#N ZINC000189200568 536082212 /nfs/dbraw/zinc/08/22/12/536082212.db2.gz MVDZWJFKBLTQAA-GUYCJALGSA-N 0 0 302.374 2.089 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)[C@H](C)n1nc(C)cc1C ZINC000120432675 622774784 /nfs/dbraw/zinc/77/47/84/622774784.db2.gz YIEAOLCLISAFJP-AWEZNQCLSA-N 0 0 324.384 2.063 10 30 DEEERN COc1ccc([C@@H](CC(=O)O[C@H](C#N)C2CC2)NC(C)=O)cc1 ZINC000177008022 625598204 /nfs/dbraw/zinc/59/82/04/625598204.db2.gz VCLMPZFFCOGWDA-HZPDHXFCSA-N 0 0 316.357 2.108 10 30 DEEERN C=C[C@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000187582513 622839838 /nfs/dbraw/zinc/83/98/38/622839838.db2.gz PPKWQMPYWYFXSP-LBPRGKRZSA-N 0 0 311.403 2.447 10 30 DEEERN C#CCOc1ccccc1NC(=O)Nc1cnc(N(C)C)nc1 ZINC000187637390 622861801 /nfs/dbraw/zinc/86/18/01/622861801.db2.gz PIZQREAPKGXZPB-UHFFFAOYSA-N 0 0 311.345 2.199 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N1CC2(C1)CCCOC2 ZINC000806811963 623575415 /nfs/dbraw/zinc/57/54/15/623575415.db2.gz ZHEIHTRLWHNORF-UHFFFAOYSA-N 0 0 314.385 2.021 10 30 DEEERN C#CCCCCNC(=O)NCc1cccc(OCCOC)c1 ZINC000160434353 623757847 /nfs/dbraw/zinc/75/78/47/623757847.db2.gz GENNGYJYFHMGRL-UHFFFAOYSA-N 0 0 304.390 2.315 10 30 DEEERN N#Cc1ccc(F)c(Cn2cncc(Br)c2=O)c1 ZINC000090765344 624115360 /nfs/dbraw/zinc/11/53/60/624115360.db2.gz OOFGXRHJWHPSFN-UHFFFAOYSA-N 0 0 308.110 2.065 10 30 DEEERN COc1cc(CN2C[C@H](OC)C[C@@H]2c2ncc[nH]2)ccc1C#N ZINC000888077663 625055934 /nfs/dbraw/zinc/05/59/34/625055934.db2.gz OFSFGEAEYJBAHA-HUUCEWRRSA-N 0 0 312.373 2.252 10 30 DEEERN C#C[C@H](OC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)C1CC1 ZINC000255906930 625194739 /nfs/dbraw/zinc/19/47/39/625194739.db2.gz WWASRFIAVMMYDT-FTXNUJCXSA-N 0 0 319.382 2.026 10 30 DEEERN C[C@H](CN1CCOCC1)OC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181616036 625225940 /nfs/dbraw/zinc/22/59/40/625225940.db2.gz ZRLOTNZTPQXQPB-CQSZACIVSA-N 0 0 314.385 2.119 10 30 DEEERN C#CCCNC(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000733625663 633251130 /nfs/dbraw/zinc/25/11/30/633251130.db2.gz YGFZPCNMCNUBAL-KBPBESRZSA-N 0 0 301.390 2.445 10 30 DEEERN C=C(COC(=O)c1ccc2c(c1O)OC(C)(C)C2)C(=O)OCC ZINC000734030396 633313514 /nfs/dbraw/zinc/31/35/14/633313514.db2.gz SVRUXQYXNVTNKP-UHFFFAOYSA-N 0 0 320.341 2.382 10 30 DEEERN N#C[C@@H]1CN(C(=O)C[C@H]2CCc3ccccc32)CCN1C1CC1 ZINC000734393827 633366008 /nfs/dbraw/zinc/36/60/08/633366008.db2.gz WFRHCPABCFKYJP-NVXWUHKLSA-N 0 0 309.413 2.305 10 30 DEEERN Cc1nsc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1C#N ZINC000333402619 633405120 /nfs/dbraw/zinc/40/51/20/633405120.db2.gz FFYVVKZFOQGEPW-JTQLQIEISA-N 0 0 318.402 2.053 10 30 DEEERN CC(C)NC(=O)CN(C)Cc1cc(Cl)ccc1OCC#N ZINC000735306784 633500209 /nfs/dbraw/zinc/50/02/09/633500209.db2.gz URQTVDKZMAYYJF-UHFFFAOYSA-N 0 0 309.797 2.199 10 30 DEEERN CCC(=O)N[C@H](C)C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735340682 633504017 /nfs/dbraw/zinc/50/40/17/633504017.db2.gz JHPVKOLOMPTZBZ-SNVBAGLBSA-N 0 0 324.764 2.200 10 30 DEEERN C=CCCCN(C)CN1c2cc(OC)c(OC)cc2C(=O)C1=O ZINC000736582058 633660573 /nfs/dbraw/zinc/66/05/73/633660573.db2.gz GRPNNYMCYWIPMU-UHFFFAOYSA-N 0 0 318.373 2.089 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(NC(=O)OC)cc1 ZINC000737315465 637297676 /nfs/dbraw/zinc/29/76/76/637297676.db2.gz PPMLRGIEJPKTJX-UHFFFAOYSA-N 0 0 319.361 2.228 10 30 DEEERN CC(=NNC1CCCC1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000741162509 637947257 /nfs/dbraw/zinc/94/72/57/637947257.db2.gz GDCITDGEMYFWAA-UHFFFAOYSA-N 0 0 321.446 2.483 10 30 DEEERN N#CCn1cc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cn1 ZINC000741679186 638002201 /nfs/dbraw/zinc/00/22/01/638002201.db2.gz MKCFUTRPODQGEQ-WCQYABFASA-N 0 0 302.284 2.427 10 30 DEEERN COc1ccc(CN[C@H](C(=O)N(C)C)c2ccccc2)cc1C#N ZINC000742368465 638064395 /nfs/dbraw/zinc/06/43/95/638064395.db2.gz BMRWLCJIIZMKQB-SFHVURJKSA-N 0 0 323.396 2.486 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)CCN1C1CC1 ZINC000745874953 638295331 /nfs/dbraw/zinc/29/53/31/638295331.db2.gz AYAAFIIWUWLCPF-JYYAWHABSA-N 0 0 316.449 2.337 10 30 DEEERN COc1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1C#N ZINC000746523481 638352914 /nfs/dbraw/zinc/35/29/14/638352914.db2.gz WRQAOIBQTRUIAF-UHFFFAOYSA-N 0 0 307.309 2.031 10 30 DEEERN CCC(CC)CS(=O)(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746680288 638369058 /nfs/dbraw/zinc/36/90/58/638369058.db2.gz JFRDNUBGNPXVJU-UHFFFAOYSA-N 0 0 310.419 2.422 10 30 DEEERN COC[C@H](NC(=O)NCc1ccc(OC)c(C#N)c1)C(C)C ZINC000746731716 638373432 /nfs/dbraw/zinc/37/34/32/638373432.db2.gz SZUIRDFCLHCNHF-AWEZNQCLSA-N 0 0 305.378 2.037 10 30 DEEERN COc1ccc(CNC(=O)N[C@@H](CO)CC(C)(C)C)cc1C#N ZINC000747430518 638436234 /nfs/dbraw/zinc/43/62/34/638436234.db2.gz MHSPUKDPJZOCOB-CQSZACIVSA-N 0 0 319.405 2.163 10 30 DEEERN CCNc1ncc(C(=O)NCc2ccc(OC)c(C#N)c2)s1 ZINC000747614526 638454329 /nfs/dbraw/zinc/45/43/29/638454329.db2.gz RJVFWYZZCMOUNF-UHFFFAOYSA-N 0 0 316.386 2.385 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1noc(-c2ccc(F)cc2)n1 ZINC000896835656 638709904 /nfs/dbraw/zinc/70/99/04/638709904.db2.gz RKRYYLWKWFCRQQ-PWSUYJOCSA-N 0 0 300.293 2.298 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)OC(=O)Cc1cccc(C#N)c1 ZINC000750431643 638743724 /nfs/dbraw/zinc/74/37/24/638743724.db2.gz UPNYEVHFKPRXFD-AWEZNQCLSA-N 0 0 312.369 2.233 10 30 DEEERN CC(C)N1CCC[C@@H](OC(=O)Cc2cccc(C#N)c2)C1=O ZINC000750433759 638744645 /nfs/dbraw/zinc/74/46/45/638744645.db2.gz HBRMSVQJCSZAMT-OAHLLOKOSA-N 0 0 300.358 2.043 10 30 DEEERN CN(C)C(=O)c1ccc(C=NNCc2cccc3cccnc32)[nH]1 ZINC000752161327 639159403 /nfs/dbraw/zinc/15/94/03/639159403.db2.gz RMBSDEMXIQWDFU-UHFFFAOYSA-N 0 0 321.384 2.388 10 30 DEEERN C=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)OCC ZINC000752560293 639197478 /nfs/dbraw/zinc/19/74/78/639197478.db2.gz WWCHQLWGEKQXBO-UHFFFAOYSA-N 0 0 315.228 2.149 10 30 DEEERN C#Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)nc1 ZINC000728809364 639429367 /nfs/dbraw/zinc/42/93/67/639429367.db2.gz JUSKRUSLNKSCNS-LSDHHAIUSA-N 0 0 316.426 2.190 10 30 DEEERN C#CCCCS(=O)(=O)NCc1cc(F)c(Cl)cc1F ZINC000805083186 639564447 /nfs/dbraw/zinc/56/44/47/639564447.db2.gz OFHSSGJYPVFDLU-UHFFFAOYSA-N 0 0 307.749 2.451 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2)C(C)(C)C ZINC000805146741 639840391 /nfs/dbraw/zinc/84/03/91/639840391.db2.gz KQNBXOHSLRMSCH-IAQYHMDHSA-N 0 0 307.415 2.336 10 30 DEEERN C=C[C@@](C)(CCOC)COC(=O)c1cnn2ccc(C)nc12 ZINC000191164989 640073605 /nfs/dbraw/zinc/07/36/05/640073605.db2.gz ZOQMMKODQOVRTA-INIZCTEOSA-N 0 0 303.362 2.423 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NOCc1cccnc1 ZINC000805222487 640294941 /nfs/dbraw/zinc/29/49/41/640294941.db2.gz CRFSLOHUKFXTNM-QGZVFWFLSA-N 0 0 309.369 2.447 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C#C)[C@@H]1CCCO1 ZINC000805306725 640780923 /nfs/dbraw/zinc/78/09/23/640780923.db2.gz ZSRLGZKJKMVSOC-KURKYZTESA-N 0 0 310.397 2.101 10 30 DEEERN C=CCOCC(=O)O[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000729766873 640841017 /nfs/dbraw/zinc/84/10/17/640841017.db2.gz ZZYIVTLMYIBRBI-LBPRGKRZSA-N 0 0 321.398 2.260 10 30 DEEERN CSCC[C@H]1NC(=S)N(Cc2ccc(C#N)cc2F)C1=O ZINC000729855337 640847516 /nfs/dbraw/zinc/84/75/16/640847516.db2.gz QYJMPNHKFHPAPX-GFCCVEGCSA-N 0 0 323.418 2.036 10 30 DEEERN C=CCC1(C(=O)O[C@@H](C)C(=O)NCCc2ccncc2)CCC1 ZINC000805981726 644098091 /nfs/dbraw/zinc/09/80/91/644098091.db2.gz RXFJECWLDRJQBK-AWEZNQCLSA-N 0 0 316.401 2.418 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H](O)CC(C)C ZINC000800602561 645291177 /nfs/dbraw/zinc/29/11/77/645291177.db2.gz WEFJWWRESAXKHE-HNNXBMFYSA-N 0 0 318.417 2.267 10 30 DEEERN C#Cc1cccc(NC(=O)CNc2nc([C@H](C)OC)ns2)c1 ZINC000800846567 645311474 /nfs/dbraw/zinc/31/14/74/645311474.db2.gz NHHOJKASYZAGKQ-JTQLQIEISA-N 0 0 316.386 2.277 10 30 DEEERN C#CCOc1ccc(NC(=O)COCc2cc(C)no2)cc1 ZINC000800886007 645317095 /nfs/dbraw/zinc/31/70/95/645317095.db2.gz SGQMKTPXZGQPQB-UHFFFAOYSA-N 0 0 300.314 2.150 10 30 DEEERN C#CC[C@H](NC(=O)N1CCO[C@@H](C(F)F)C1)c1ccccc1 ZINC000801045820 645334592 /nfs/dbraw/zinc/33/45/92/645334592.db2.gz JEPPBFISSPEMRQ-UONOGXRCSA-N 0 0 308.328 2.427 10 30 DEEERN CC(C)c1cnc(CN2CCN(c3ccc(C#N)nc3)CC2)o1 ZINC000801552904 645413169 /nfs/dbraw/zinc/41/31/69/645413169.db2.gz JOHMUMLPLODYLD-UHFFFAOYSA-N 0 0 311.389 2.387 10 30 DEEERN C#CC[C@H](OC(=O)c1cnc(C(=O)OC(C)(C)C)cn1)C1CC1 ZINC000802104864 645479688 /nfs/dbraw/zinc/47/96/88/645479688.db2.gz KXUANANFULJGGN-AWEZNQCLSA-N 0 0 316.357 2.391 10 30 DEEERN CON(CC1CCOCC1)C(=O)NCc1ccc(C#N)cc1F ZINC000802122343 645481762 /nfs/dbraw/zinc/48/17/62/645481762.db2.gz LLDRAOQHVZHHTO-UHFFFAOYSA-N 0 0 321.352 2.197 10 30 DEEERN C#C[C@H](C)Oc1ccc(COC(=O)C[C@@H]2COC(=O)C2)cc1 ZINC000802808641 645561640 /nfs/dbraw/zinc/56/16/40/645561640.db2.gz OKABOVWYFUODKY-JSGCOSHPSA-N 0 0 302.326 2.084 10 30 DEEERN C=CCCO[C@@H](C)C(=O)Oc1ccccc1CS(C)(=O)=O ZINC000803080514 645602798 /nfs/dbraw/zinc/60/27/98/645602798.db2.gz ASEQEBJNOSCWOG-LBPRGKRZSA-N 0 0 312.387 2.118 10 30 DEEERN C=C(C)CCOC(=O)CCS(=O)(=O)c1ccc(F)cc1 ZINC000803218244 645617910 /nfs/dbraw/zinc/61/79/10/645617910.db2.gz LOTMJYJHXPNBFN-UHFFFAOYSA-N 0 0 300.351 2.499 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)COCc1cc(C)no1 ZINC000803523430 645668944 /nfs/dbraw/zinc/66/89/44/645668944.db2.gz PGNOPRABXBDRMU-MRXNPFEDSA-N 0 0 312.369 2.250 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000803701439 645682471 /nfs/dbraw/zinc/68/24/71/645682471.db2.gz SBQVQMQWFHNCSZ-NSHDSACASA-N 0 0 318.760 2.268 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C(=O)NCc1ccco1)C(C)C ZINC000803700557 645682661 /nfs/dbraw/zinc/68/26/61/645682661.db2.gz VGPOYYUJVOWCOS-MRXNPFEDSA-N 0 0 315.369 2.126 10 30 DEEERN C=C(COC(=O)C1(c2cccc(OC)c2)CC1)C(=O)OCC ZINC000803792203 645698117 /nfs/dbraw/zinc/69/81/17/645698117.db2.gz XQUOMFLVQVHDQL-UHFFFAOYSA-N 0 0 304.342 2.389 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C(C)(C)c1cnn(C)c1 ZINC000804457124 645774268 /nfs/dbraw/zinc/77/42/68/645774268.db2.gz PKKSBOGWMHZYGC-KRWDZBQOSA-N 0 0 309.413 2.449 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](CC(=O)OC)c1cccs1 ZINC000806370397 645823945 /nfs/dbraw/zinc/82/39/45/645823945.db2.gz WYVNBLMKEUBSPR-CYBMUJFWSA-N 0 0 303.383 2.131 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1nccc(N(C)C)n1 ZINC000806395918 645826929 /nfs/dbraw/zinc/82/69/29/645826929.db2.gz CPYVRNBMBRKXAK-HNNXBMFYSA-N 0 0 323.400 2.299 10 30 DEEERN C#CCOCCNC(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000806554716 645844921 /nfs/dbraw/zinc/84/49/21/645844921.db2.gz YVJIHQRKMOZFDH-UHFFFAOYSA-N 0 0 316.357 2.202 10 30 DEEERN CON(C)C(=O)CCSc1nc(C(F)(F)F)ccc1C#N ZINC000806631605 645855829 /nfs/dbraw/zinc/85/58/29/645855829.db2.gz PAQDFEKLPQJZPX-UHFFFAOYSA-N 0 0 319.308 2.474 10 30 DEEERN C#Cc1cncc(C(=O)N[C@H]2CCN(c3ccccc3OC)C2)c1 ZINC000807049226 645905617 /nfs/dbraw/zinc/90/56/17/645905617.db2.gz LSFXMYTWRAVZTA-INIZCTEOSA-N 0 0 321.380 2.080 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1COC(C)(C)O1 ZINC000807098325 645911227 /nfs/dbraw/zinc/91/12/27/645911227.db2.gz VUAXENLNFPCGOX-JKSUJKDBSA-N 0 0 316.401 2.072 10 30 DEEERN C#Cc1cncc(C(=O)NCCc2cc(F)c(F)c(F)c2)c1 ZINC000807211969 645926075 /nfs/dbraw/zinc/92/60/75/645926075.db2.gz LYOACYSZFYCILI-UHFFFAOYSA-N 0 0 304.271 2.453 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](CC1CCCCC1)C(=O)OC ZINC000807410322 645947539 /nfs/dbraw/zinc/94/75/39/645947539.db2.gz WONWWTXODWREFC-MRXNPFEDSA-N 0 0 303.402 2.277 10 30 DEEERN C#Cc1cncc(C(=O)Nc2cccc(N(C)C(=O)NCC)c2)c1 ZINC000807452118 645952645 /nfs/dbraw/zinc/95/26/45/645952645.db2.gz WYPQVYDXOMXXQV-UHFFFAOYSA-N 0 0 322.368 2.481 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000807465271 645953073 /nfs/dbraw/zinc/95/30/73/645953073.db2.gz HJBZXRSXUFWVGF-FGTMMUONSA-N 0 0 314.429 2.471 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@]1(CC)CCOC1 ZINC000807471262 645955634 /nfs/dbraw/zinc/95/56/34/645955634.db2.gz VZWQFOSMJOGNIV-SJLPKXTDSA-N 0 0 300.402 2.489 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000807484234 645957034 /nfs/dbraw/zinc/95/70/34/645957034.db2.gz YYHDQEFLWOQRDY-MRXNPFEDSA-N 0 0 324.424 2.327 10 30 DEEERN C#CCn1cc(CNC(=O)CCCc2ccc(F)c(F)c2)cn1 ZINC000807940499 646010338 /nfs/dbraw/zinc/01/03/38/646010338.db2.gz MBIICRDQLITDQO-UHFFFAOYSA-N 0 0 317.339 2.434 10 30 DEEERN C=C(Br)CNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000164817774 646466765 /nfs/dbraw/zinc/46/67/65/646466765.db2.gz HUJGVWAHMMKXJZ-AAEUAGOBSA-N 0 0 317.227 2.232 10 30 DEEERN C[C@H](C(=O)[C@@H](C#N)C(=O)NC1CCCCC1)C1CCOCC1 ZINC000165487104 646500445 /nfs/dbraw/zinc/50/04/45/646500445.db2.gz GRBHFFKPGGCDGD-SWLSCSKDSA-N 0 0 306.406 2.207 10 30 DEEERN C#CCCCOC(=O)[C@@H]1CC(=O)N(c2ccccc2OCC)C1 ZINC000170714602 646660614 /nfs/dbraw/zinc/66/06/14/646660614.db2.gz FHPWRASJYBXBQI-CQSZACIVSA-N 0 0 315.369 2.395 10 30 DEEERN Cc1cc(C)n(CCOC(=O)[C@@H](C)Oc2ccccc2C#N)n1 ZINC000170728129 646662034 /nfs/dbraw/zinc/66/20/34/646662034.db2.gz JMMXATBDRWYDDR-CQSZACIVSA-N 0 0 313.357 2.382 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000730347906 646958850 /nfs/dbraw/zinc/95/88/50/646958850.db2.gz JFMMLDDENHJKJW-TUKIKUTGSA-N 0 0 303.358 2.033 10 30 DEEERN C#C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(CC=C)C2=O)C1CC1 ZINC000152689619 647252272 /nfs/dbraw/zinc/25/22/72/647252272.db2.gz RYDLQYDHESHXPH-HNNXBMFYSA-N 0 0 309.321 2.037 10 30 DEEERN N#CC1(COC(=O)Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000153359188 647429485 /nfs/dbraw/zinc/42/94/85/647429485.db2.gz RFLOGOHQGSRHAQ-UHFFFAOYSA-N 0 0 304.302 2.001 10 30 DEEERN N#C[C@@H]1CN(C(=O)CCc2cccc(Cl)c2)CCN1C1CC1 ZINC000732651560 647637339 /nfs/dbraw/zinc/63/73/39/647637339.db2.gz CCTBOMBZQFKGKQ-MRXNPFEDSA-N 0 0 317.820 2.471 10 30 DEEERN N#C[C@@H]1CN(Cc2cncc(Br)c2)CCN1C1CC1 ZINC000732668832 647639193 /nfs/dbraw/zinc/63/91/93/647639193.db2.gz PKRFSVXSYHKULW-CQSZACIVSA-N 0 0 321.222 2.016 10 30 DEEERN N#C[C@@H]1CN(Cn2ccc(-c3ccsc3)n2)CCN1C1CC1 ZINC000732673026 647640038 /nfs/dbraw/zinc/64/00/38/647640038.db2.gz SIIPRAKPOUTTPN-OAHLLOKOSA-N 0 0 313.430 2.241 10 30 DEEERN COc1ccc([C@H](CC(=O)OCC(C)(C)C#N)NC(C)=O)cc1 ZINC000180152358 648465337 /nfs/dbraw/zinc/46/53/37/648465337.db2.gz JTAMGLQHPNKRAN-HNNXBMFYSA-N 0 0 318.373 2.355 10 30 DEEERN C=C[C@H](CC)OC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000181235132 648589977 /nfs/dbraw/zinc/58/99/77/648589977.db2.gz DEFWZYVUDGYCHP-CYBMUJFWSA-N 0 0 309.387 2.130 10 30 DEEERN C[C@H](C#N)CNC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000182687415 648965880 /nfs/dbraw/zinc/96/58/80/648965880.db2.gz CTPDQNOJHPGTBL-JHJVBQTASA-N 0 0 324.425 2.139 10 30 DEEERN N#C[C@@H](NC(=O)c1ccc(C2N=NC(=S)O2)cc1)C1CC1 ZINC000183566437 649107558 /nfs/dbraw/zinc/10/75/58/649107558.db2.gz DKKZUZHOQVUOPR-LLVKDONJSA-N 0 0 300.343 2.057 10 30 DEEERN COc1ccc(CCC(=O)OCC2(C#N)CCOCC2)cc1 ZINC000183948304 649204834 /nfs/dbraw/zinc/20/48/34/649204834.db2.gz LXYJFSAAMBUIPY-UHFFFAOYSA-N 0 0 303.358 2.491 10 30 DEEERN C#CCCCCCOC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000185329188 649500877 /nfs/dbraw/zinc/50/08/77/649500877.db2.gz AFHVUUUTMVFQQX-UHFFFAOYSA-N 0 0 323.414 2.044 10 30 DEEERN C#CCCNC(=O)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000733346538 649548754 /nfs/dbraw/zinc/54/87/54/649548754.db2.gz WLAKUBKQCTTXCZ-LBPRGKRZSA-N 0 0 301.346 2.027 10 30 DEEERN C#CCCNC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000733355920 649553815 /nfs/dbraw/zinc/55/38/15/649553815.db2.gz GFULHKGJQCFQAU-OAHLLOKOSA-N 0 0 302.374 2.392 10 30 DEEERN CC(C)CC[C@@](C)(O)CNC(=O)Cc1cccc(OCC#N)c1 ZINC000089841061 684026854 /nfs/dbraw/zinc/02/68/54/684026854.db2.gz AWRZGLDVPXMJDV-GOSISDBHSA-N 0 0 318.417 2.435 10 30 DEEERN N#C[C@H](C(=O)C[C@@H]1CCOc2ccccc21)C(=O)N1CCCC1 ZINC000118141785 684070160 /nfs/dbraw/zinc/07/01/60/684070160.db2.gz GGHBVJKSOYMQAN-DZGCQCFKSA-N 0 0 312.369 2.274 10 30 DEEERN Cc1ccn2c(c1)nnc2NC(=O)c1ccccc1OCC#N ZINC000121829849 684109960 /nfs/dbraw/zinc/10/99/60/684109960.db2.gz GWBCYXDUUUSVIE-UHFFFAOYSA-N 0 0 307.313 2.192 10 30 DEEERN CN(CCC#N)C(=O)c1cnccc1NC(=O)OC(C)(C)C ZINC000188763589 684363236 /nfs/dbraw/zinc/36/32/36/684363236.db2.gz MSSNCYYPBJKVFX-UHFFFAOYSA-N 0 0 304.350 2.414 10 30 DEEERN C=C[C@](C)(CCOC)COC(=O)Cn1c(C)c(C)sc1=O ZINC000191164739 684422104 /nfs/dbraw/zinc/42/21/04/684422104.db2.gz LFPIKBLYDCZMLL-OAHLLOKOSA-N 0 0 313.419 2.299 10 30 DEEERN COC(=O)c1ccc(CNC(=O)c2ccccc2OCC#N)cc1 ZINC000194059467 685055332 /nfs/dbraw/zinc/05/53/32/685055332.db2.gz TYVHOTIMCPOCHJ-UHFFFAOYSA-N 0 0 324.336 2.306 10 30 DEEERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C#N)C1CC1 ZINC000245501454 685112783 /nfs/dbraw/zinc/11/27/83/685112783.db2.gz CUDPVQVRPOKDRO-APHBMKBZSA-N 0 0 313.401 2.249 10 30 DEEERN CCn1nccc1[C@@H]1OCCC[C@H]1CNc1nccc(C#N)n1 ZINC000886081938 691999239 /nfs/dbraw/zinc/99/92/39/691999239.db2.gz IZLAPSKPKDGKMT-SWLSCSKDSA-N 0 0 312.377 2.144 10 30 DEEERN CCCCCCCCCC(=O)[C@H](C(=O)[O-])[C@H](O)C[N+](C)(C)C ZINC000100101245 717142555 /nfs/dbraw/zinc/14/25/55/717142555.db2.gz QDFUGZFFTZZWFP-CVEARBPZSA-O 0 0 316.462 2.464 10 30 DEEERN CC(=NN=C1CCOc2cc3c(cc21)OCO3)c1cnccn1 ZINC000745209085 784696172 /nfs/dbraw/zinc/69/61/72/784696172.db2.gz QFNISUWYMNTMEN-UHFFFAOYSA-N 0 0 310.313 2.201 10 30 DEEERN COc1ccc(CNC(=O)CSc2ccncc2)cc1C#N ZINC000746920854 786542478 /nfs/dbraw/zinc/54/24/78/786542478.db2.gz BNSKUSHGEPBQQU-UHFFFAOYSA-N 0 0 313.382 2.370 10 30 DEEERN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1Cl ZINC000494606965 791207568 /nfs/dbraw/zinc/20/75/68/791207568.db2.gz CZOLNAOQJSACOH-GFCCVEGCSA-N 0 0 309.778 2.072 10 30 DEEERN O=C(CC(F)(F)C(F)(F)F)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000713182749 792213441 /nfs/dbraw/zinc/21/34/41/792213441.db2.gz VCUUWYDLYGIDGC-LURJTMIESA-N 0 0 315.160 2.100 10 30 DEEERN C#CC[C@H](COC)Nc1ccc(I)cn1 ZINC000716398557 792957082 /nfs/dbraw/zinc/95/70/82/792957082.db2.gz LLYOQGBIEMHVOV-SNVBAGLBSA-N 0 0 316.142 2.136 10 30 DEEERN C#CC[C@H](CO)NC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000717705001 799428656 /nfs/dbraw/zinc/42/86/56/799428656.db2.gz XJLKEAJKGWQXQP-BXUZGUMPSA-N 0 0 324.218 2.443 10 30 DEEERN CC#CC[C@H](CO)NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000717738607 799430568 /nfs/dbraw/zinc/43/05/68/799430568.db2.gz DVVFLESHHSLQFF-CFYYFVFUSA-N 0 0 313.806 2.004 10 30 DEEERN C=CCCOCCNC(=O)c1ccc(Br)cc1N ZINC000188407647 802266229 /nfs/dbraw/zinc/26/62/29/802266229.db2.gz UUDTXYBCJDLYGS-UHFFFAOYSA-N 0 0 313.195 2.354 10 30 DEEERN C[C@@H](NC(=O)Cn1nnc2ccccc21)c1ccc(C#N)cc1 ZINC000045218788 1078356437 /nfs/dbraw/zinc/35/64/37/1078356437.db2.gz VURQUGIAICHXJI-GFCCVEGCSA-N 0 0 305.341 2.180 10 30 DEEERN N#Cc1ccc(C(=O)NCc2ccnc(OCC3CC3)c2)nc1 ZINC000067336437 1079886363 /nfs/dbraw/zinc/88/63/63/1079886363.db2.gz BSFGRYRNVXVINB-UHFFFAOYSA-N 0 0 308.341 2.067 10 30 DEEERN C#C[C@@H](CO)NC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000718172731 1088399494 /nfs/dbraw/zinc/39/94/94/1088399494.db2.gz MAUXVFGAVZDEJG-GWCFXTLKSA-N 0 0 310.191 2.053 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)NCCC2(F)CCC2)c1 ZINC000719991809 1089423743 /nfs/dbraw/zinc/42/37/43/1089423743.db2.gz PLOGEEPEDRIJSP-UHFFFAOYSA-N 0 0 300.330 2.258 10 30 DEEERN CC(C)(NS(=O)(=O)c1cc(F)cc(C#N)c1)C(C)(F)F ZINC000720009890 1089423454 /nfs/dbraw/zinc/42/34/54/1089423454.db2.gz LGKINWVBOYWNTK-UHFFFAOYSA-N 0 0 306.309 2.409 10 30 DEEERN C[C@H]1SCCN(S(=O)(=O)c2cc(F)cc(C#N)c2)[C@@H]1C ZINC000720037317 1089428877 /nfs/dbraw/zinc/42/88/77/1089428877.db2.gz MCPCYJXZTLZGOF-NXEZZACHSA-N 0 0 314.407 2.212 10 30 DEEERN C[C@@H]1CSCCN(S(=O)(=O)c2cc(F)cc(C#N)c2)C1 ZINC000720079401 1089459745 /nfs/dbraw/zinc/45/97/45/1089459745.db2.gz SRGQJEWPHYPDJT-JTQLQIEISA-N 0 0 314.407 2.071 10 30 DEEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cccc(C#N)c1C ZINC000178550081 282098748 /nfs/dbraw/zinc/09/87/48/282098748.db2.gz KWCNEEKWMWFLSG-AWEZNQCLSA-N 0 0 310.361 2.423 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc(C(=O)OCC)cc1 ZINC000076854363 185047262 /nfs/dbraw/zinc/04/72/62/185047262.db2.gz HVJDORZAQUMYTM-UHFFFAOYSA-N 0 0 311.403 2.450 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC(C)(C)[C@@H]1CCCCO1 ZINC000612321468 361792149 /nfs/dbraw/zinc/79/21/49/361792149.db2.gz SWYPVDYOJYKCJU-GJZGRUSLSA-N 0 0 310.438 2.169 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NCc1cccc(N(C)C)n1 ZINC000152262849 282138997 /nfs/dbraw/zinc/13/89/97/282138997.db2.gz KTLHHRHCLVRCMG-ZDUSSCGKSA-N 0 0 324.384 2.103 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(OC)cc1C ZINC000612520826 361850367 /nfs/dbraw/zinc/85/03/67/361850367.db2.gz PPESIJDTSURNTQ-MRXNPFEDSA-N 0 0 304.390 2.091 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCC1Cc2ccccc2C1 ZINC000612993509 361973883 /nfs/dbraw/zinc/97/38/83/361973883.db2.gz DFGORGIPTCHVLK-GOSISDBHSA-N 0 0 314.429 2.379 10 30 DEEERN N#Cc1ccccc1S(=O)(=O)n1nc(N)cc1-c1ccccc1 ZINC000082347924 185176899 /nfs/dbraw/zinc/17/68/99/185176899.db2.gz BEKANWAJVFEMGG-UHFFFAOYSA-N 0 0 324.365 2.241 10 30 DEEERN CC[C@H](NC(=O)NCC1CCC(C#N)CC1)[C@H](O)C(F)(F)F ZINC000442741214 529501045 /nfs/dbraw/zinc/50/10/45/529501045.db2.gz UTYWDNSZSVQNQP-QQFIATSDSA-N 0 0 321.343 2.317 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000278891751 214472769 /nfs/dbraw/zinc/47/27/69/214472769.db2.gz OUMBYPFMQRYPBI-MRXNPFEDSA-N 0 0 320.396 2.098 10 30 DEEERN CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(C#N)n1C ZINC000448585214 529592733 /nfs/dbraw/zinc/59/27/33/529592733.db2.gz LAQSZDPXIAQMJW-UHFFFAOYSA-N 0 0 324.384 2.170 10 30 DEEERN CC[C@@H](NC(=O)N1CCC(C#N)CC1)c1c(C)nn(C)c1C ZINC000408253266 529607590 /nfs/dbraw/zinc/60/75/90/529607590.db2.gz FXWFMMONTURLNQ-CQSZACIVSA-N 0 0 303.410 2.433 10 30 DEEERN Cc1nn(C)c2sc(C(=O)N(CCC#N)C3CC3)c(N)c12 ZINC000088642191 185261078 /nfs/dbraw/zinc/26/10/78/185261078.db2.gz YPRWLXKBPGVNMP-UHFFFAOYSA-N 0 0 303.391 2.044 10 30 DEEERN N#CCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000613133519 362012767 /nfs/dbraw/zinc/01/27/67/362012767.db2.gz UYQWBHWURDFCTN-ZNMIVQPWSA-N 0 0 313.405 2.034 10 30 DEEERN C=CCN(C(=O)CN1CC[C@H](c2ccccc2)NC1=O)C1CC1 ZINC000613238698 362052314 /nfs/dbraw/zinc/05/23/14/362052314.db2.gz CEDYBYRLCSTXJX-MRXNPFEDSA-N 0 0 313.401 2.320 10 30 DEEERN C=CCN(C(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F)C1CC1 ZINC000613239084 362052778 /nfs/dbraw/zinc/05/27/78/362052778.db2.gz JUKSJDJAOWJKBE-NEPJUHHUSA-N 0 0 307.312 2.147 10 30 DEEERN C=CC[C@H](CO)CNC(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC000613252232 362058420 /nfs/dbraw/zinc/05/84/20/362058420.db2.gz DFQCDFFPLANETC-QRTARXTBSA-N 0 0 303.402 2.490 10 30 DEEERN C=C(C)CN(C)C(=O)CN1CC[C@H](c2ccccc2)NC1=O ZINC000613304396 362075774 /nfs/dbraw/zinc/07/57/74/362075774.db2.gz BQVPBVLGDJHKAX-OAHLLOKOSA-N 0 0 301.390 2.178 10 30 DEEERN Cc1noc(C)c1CNC(=O)c1ccc(C#CCCO)s1 ZINC000092341623 185313330 /nfs/dbraw/zinc/31/33/30/185313330.db2.gz HLKVGKIIPSTGRA-UHFFFAOYSA-N 0 0 304.371 2.017 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1 ZINC000613490514 362126665 /nfs/dbraw/zinc/12/66/65/362126665.db2.gz YQSDURRMXKERED-GFCCVEGCSA-N 0 0 316.323 2.438 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000613495964 362129088 /nfs/dbraw/zinc/12/90/88/362129088.db2.gz XICZGJAJUYPOND-DLBZAZTESA-N 0 0 322.449 2.265 10 30 DEEERN C#CCNCc1nc(-c2cc(F)cc(Br)c2)no1 ZINC000092481668 185321358 /nfs/dbraw/zinc/32/13/58/185321358.db2.gz XWXDOINCZREICD-UHFFFAOYSA-N 0 0 310.126 2.361 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000625350828 365742122 /nfs/dbraw/zinc/74/21/22/365742122.db2.gz RLJYOFVKQVFXRC-CQSZACIVSA-N 0 0 317.414 2.459 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)CCOCC2CCCC2)C1 ZINC000625356057 365744795 /nfs/dbraw/zinc/74/47/95/365744795.db2.gz ZDXAFQFBBKJXDH-CQSZACIVSA-N 0 0 301.452 2.421 10 30 DEEERN CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000168573660 197726056 /nfs/dbraw/zinc/72/60/56/197726056.db2.gz KWEZVZFEGDBSIP-LLVKDONJSA-N 0 0 314.794 2.011 10 30 DEEERN CCc1ncc(S(=O)(=O)NCC2CCC(C#N)CC2)s1 ZINC000443230496 529759109 /nfs/dbraw/zinc/75/91/09/529759109.db2.gz XXXDJNIOQYEIKO-UHFFFAOYSA-N 0 0 313.448 2.314 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(OC)CCC(C)CC1 ZINC000614263092 362333245 /nfs/dbraw/zinc/33/32/45/362333245.db2.gz KEGIZPSYDRNQTE-GULBITTBSA-N 0 0 310.438 2.169 10 30 DEEERN C=CCOc1ccc(CNC(=O)[C@H](CC(=C)C)NC(C)=O)cc1 ZINC000614676818 362434843 /nfs/dbraw/zinc/43/48/43/362434843.db2.gz AFUOVEURTSCEFV-KRWDZBQOSA-N 0 0 316.401 2.339 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(OC(F)F)nc1 ZINC000614560978 362407439 /nfs/dbraw/zinc/40/74/39/362407439.db2.gz KBNSTCMIRDYKIU-NSHDSACASA-N 0 0 313.304 2.092 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1c2ccccc2O[C@H]1C ZINC000614938940 362494661 /nfs/dbraw/zinc/49/46/61/362494661.db2.gz GUYJBRLPHJBBAC-HZUKXOBISA-N 0 0 302.374 2.096 10 30 DEEERN CCOc1ccc(CNC(=O)C2(C#N)CCOCC2)cc1F ZINC000109142708 185554225 /nfs/dbraw/zinc/55/42/25/185554225.db2.gz ONKMOYHEAMYUGC-UHFFFAOYSA-N 0 0 306.337 2.161 10 30 DEEERN CC#CCN(C)C(=O)c1cncc2nc(C(F)(F)F)n(C)c21 ZINC000615406678 362603453 /nfs/dbraw/zinc/60/34/53/362603453.db2.gz LBASHNDVABSBGW-UHFFFAOYSA-N 0 0 310.279 2.082 10 30 DEEERN C=CC(C)(C)CNC(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000615831685 362711745 /nfs/dbraw/zinc/71/17/45/362711745.db2.gz QJZAGWZYVNLCSS-GHMZBOCLSA-N 0 0 309.328 2.299 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](c2cc(C)ccn2)C1 ZINC000615915435 362731742 /nfs/dbraw/zinc/73/17/42/362731742.db2.gz YHIZVRPEWIGOJA-DOTOQJQBSA-N 0 0 315.417 2.177 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cnn(CC(C)C)c1CC ZINC000154187408 539548950 /nfs/dbraw/zinc/54/89/50/539548950.db2.gz HNSOFDXYRSMWQI-UHFFFAOYSA-N 0 0 320.437 2.465 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCSC2(CCC2)CC1 ZINC000616255648 362809106 /nfs/dbraw/zinc/80/91/06/362809106.db2.gz HNJNOISORXCIPP-CQSZACIVSA-N 0 0 310.463 2.346 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](OC)[C@@H]1CCOC1 ZINC000616303085 362821118 /nfs/dbraw/zinc/82/11/18/362821118.db2.gz RURRJKAODCCOBH-BRWVUGGUSA-N 0 0 303.402 2.342 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)n2CC ZINC000616409784 362850124 /nfs/dbraw/zinc/85/01/24/362850124.db2.gz VRCLAZVQHSVOEI-WFASDCNBSA-N 0 0 315.373 2.083 10 30 DEEERN N#Cc1ccc([C@H]2CCc3ccccc3N2S(N)(=O)=O)cc1 ZINC000616593528 362895374 /nfs/dbraw/zinc/89/53/74/362895374.db2.gz ILYHPXVADCNNJF-MRXNPFEDSA-N 0 0 313.382 2.256 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(F)cc(N(C)C)c1 ZINC000616547064 362886787 /nfs/dbraw/zinc/88/67/87/362886787.db2.gz JHCWZLDQZJNXEX-OAHLLOKOSA-N 0 0 307.369 2.301 10 30 DEEERN N#Cc1cccc([C@@H]2CCN(S(N)(=O)=O)c3ccccc32)c1 ZINC000616676243 362907675 /nfs/dbraw/zinc/90/76/75/362907675.db2.gz LXSVFYHXNDNMNG-AWEZNQCLSA-N 0 0 313.382 2.104 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc(N)ccc1F ZINC000070430243 190889886 /nfs/dbraw/zinc/88/98/86/190889886.db2.gz UKZASGOKFGVLMR-UHFFFAOYSA-N 0 0 305.334 2.389 10 30 DEEERN COc1ccc2c(c1)[C@@H](C#N)N(Cc1c(C)nn(C)c1C)C2=O ZINC000071678554 191005953 /nfs/dbraw/zinc/00/59/53/191005953.db2.gz HYDYPDMYEGPPOS-MRXNPFEDSA-N 0 0 310.357 2.266 10 30 DEEERN C[C@@H]1SCCN(C(=O)c2csc(C#CCCO)c2)[C@H]1C ZINC000133649996 186003215 /nfs/dbraw/zinc/00/32/15/186003215.db2.gz VTTHDPSFJQMPBK-RYUDHWBXSA-N 0 0 309.456 2.448 10 30 DEEERN C[C@H]1SCCN(C(=O)c2ccc(C#CCCO)s2)[C@H]1C ZINC000133634804 186001891 /nfs/dbraw/zinc/00/18/91/186001891.db2.gz DDRSCKAXGFVPBQ-NWDGAFQWSA-N 0 0 309.456 2.448 10 30 DEEERN Cc1cc(OCc2cccc(C#N)c2)ccc1S(N)(=O)=O ZINC000147359048 186039280 /nfs/dbraw/zinc/03/92/80/186039280.db2.gz UKCOBXUMCHGGEK-UHFFFAOYSA-N 0 0 302.355 2.093 10 30 DEEERN COc1ccc(C#N)cc1CN1CC[C@](O)(C(F)(F)F)C1 ZINC000155733757 186107735 /nfs/dbraw/zinc/10/77/35/186107735.db2.gz FSQWRVOOMXGLQF-CYBMUJFWSA-N 0 0 300.280 2.066 10 30 DEEERN O=C(NC[C@H]1CCCS1)c1cc(F)ccc1C#CCCO ZINC000155934484 186124178 /nfs/dbraw/zinc/12/41/78/186124178.db2.gz LSEAUXVIIHQCPB-CQSZACIVSA-N 0 0 307.390 2.185 10 30 DEEERN N#Cc1cc(NC[C@H]2CCS(=O)(=O)C2)ccc1C(F)(F)F ZINC000163946553 186143378 /nfs/dbraw/zinc/14/33/78/186143378.db2.gz USEMPIDUSFVBDL-SECBINFHSA-N 0 0 318.320 2.424 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)N2CCS[C@@H](C)C2)c1 ZINC000171468957 186164293 /nfs/dbraw/zinc/16/42/93/186164293.db2.gz FDPWRZQDDHYTRC-LBPRGKRZSA-N 0 0 320.414 2.154 10 30 DEEERN C=CCOCCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595469223 358457253 /nfs/dbraw/zinc/45/72/53/358457253.db2.gz OCMRFYHYZWNJBD-UHFFFAOYSA-N 0 0 307.350 2.029 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCCCCS(N)(=O)=O ZINC000617043593 363007866 /nfs/dbraw/zinc/00/78/66/363007866.db2.gz BXVNBDSHUWKUQO-KGLIPLIRSA-N 0 0 316.467 2.086 10 30 DEEERN O=C(N[C@H](Cc1c[nH]cn1)C(=O)N1CCCO1)C1CCCCC1 ZINC000328750846 539910534 /nfs/dbraw/zinc/91/05/34/539910534.db2.gz CFVDYJWJSHACQI-CQSZACIVSA-N 0 0 320.393 2.022 10 30 DEEERN Cc1cn2c(n1)[C@@H](CNC(=O)c1ccc3nnc(C)n3c1)CCC2 ZINC000328832331 539911119 /nfs/dbraw/zinc/91/11/19/539911119.db2.gz ROBSAYLHUXYBSY-CYBMUJFWSA-N 0 0 324.388 2.425 10 30 DEEERN O=C(Nc1cccnc1N1CCCC1)N1CCc2cncnc2C1 ZINC000329287582 539916829 /nfs/dbraw/zinc/91/68/29/539916829.db2.gz PFXLQMCURVTOJL-UHFFFAOYSA-N 0 0 324.388 2.076 10 30 DEEERN C=CCN(C(=O)c1cccc(C(=O)NC2CC2)c1)[C@H](C)COC ZINC000617582369 363196310 /nfs/dbraw/zinc/19/63/10/363196310.db2.gz LVLKGXAFDQEZIM-CYBMUJFWSA-N 0 0 316.401 2.242 10 30 DEEERN N#Cc1cccc(-c2cc(C(=O)N3C[C@@H]4CC[C@@H](O)[C@H]4C3)on2)c1 ZINC000333316315 539955763 /nfs/dbraw/zinc/95/57/63/539955763.db2.gz OMULNBXTPANPGX-OFQRWUPVSA-N 0 0 323.352 2.056 10 30 DEEERN C=CCN1C(=O)N/C(=C\c2cc3c(cc2Cl)OCO3)C1=O ZINC000000561100 180822067 /nfs/dbraw/zinc/82/20/67/180822067.db2.gz BFLUNLMSIRFEEI-WMZJFQQLSA-N 0 0 306.705 2.147 10 30 DEEERN C#CCN(CC#C)CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000174049098 198284800 /nfs/dbraw/zinc/28/48/00/198284800.db2.gz FXSAFPMZFYBLGC-UHFFFAOYSA-N 0 0 309.413 2.184 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000175749242 198505826 /nfs/dbraw/zinc/50/58/26/198505826.db2.gz ZFNOPZITPQWKLC-CQSZACIVSA-N 0 0 310.361 2.327 10 30 DEEERN C=CC[C@H]1CCCN(C(=O)c2cnc3c(C)cccn3c2=O)C1 ZINC000617781295 363262993 /nfs/dbraw/zinc/26/29/93/363262993.db2.gz JMYHQMXXLWWUCO-AWEZNQCLSA-N 0 0 311.385 2.431 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)C1 ZINC000626262791 366128230 /nfs/dbraw/zinc/12/82/30/366128230.db2.gz ZCNDEAYZSIBVOU-CYBMUJFWSA-N 0 0 312.377 2.401 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](C)C3)cc2C1=O ZINC000016641799 354039495 /nfs/dbraw/zinc/03/94/95/354039495.db2.gz OEXBDOHSWQEUKT-LBPRGKRZSA-N 0 0 312.369 2.341 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O ZINC000006904845 353998246 /nfs/dbraw/zinc/99/82/46/353998246.db2.gz XXMFMXYRVSRFNR-UHFFFAOYSA-N 0 0 313.338 2.177 10 30 DEEERN CC(=O)CCc1ccc(OCCC(=O)N2CC(CC#N)C2)cc1 ZINC000617895894 363297131 /nfs/dbraw/zinc/29/71/31/363297131.db2.gz CFYHHMYVWDXCRS-UHFFFAOYSA-N 0 0 314.385 2.349 10 30 DEEERN C=CCNC(=O)Cc1noc([C@H]2CC[C@H](C(F)(F)F)C2)n1 ZINC000346992582 540017729 /nfs/dbraw/zinc/01/77/29/540017729.db2.gz XWFGEVDGRWMGNP-IUCAKERBSA-N 0 0 303.284 2.360 10 30 DEEERN COC(=O)c1ccc(C(=NO)c2ccc(C(=O)OC)cc2)cc1 ZINC000035050323 354163357 /nfs/dbraw/zinc/16/33/57/354163357.db2.gz VHQWORUYOOLZAU-UHFFFAOYSA-N 0 0 313.309 2.486 10 30 DEEERN Cc1ccc(C(=O)NCC(=O)NCc2cccc(C#N)c2)cc1C ZINC000045215103 354252341 /nfs/dbraw/zinc/25/23/41/354252341.db2.gz SQTIHXBTLBRWTL-UHFFFAOYSA-N 0 0 321.380 2.221 10 30 DEEERN C=CC(C)(C)CCNC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000626435191 366185599 /nfs/dbraw/zinc/18/55/99/366185599.db2.gz LJMUEQGLZXYAMC-UHFFFAOYSA-N 0 0 311.407 2.058 10 30 DEEERN C=CCC1(NC(=O)[C@H](OC)c2ccc(O)cc2)CCOCC1 ZINC000618249072 363431243 /nfs/dbraw/zinc/43/12/43/363431243.db2.gz FBJFAFMYFVQECT-OAHLLOKOSA-N 0 0 305.374 2.321 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000075925708 355114473 /nfs/dbraw/zinc/11/44/73/355114473.db2.gz MJAWXGBRTWHBOZ-HNNXBMFYSA-N 0 0 323.481 2.131 10 30 DEEERN C[C@@H](CNC(=O)N1CCO[C@H](C#N)C1)c1ccc(F)cc1F ZINC000074886376 191379438 /nfs/dbraw/zinc/37/94/38/191379438.db2.gz FCHAOBJZJHVPLF-CMPLNLGQSA-N 0 0 309.316 2.002 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccccc1N(C)C(C)=O ZINC000130589692 355843879 /nfs/dbraw/zinc/84/38/79/355843879.db2.gz RPNOFZUAHRGOBT-UHFFFAOYSA-N 0 0 317.389 2.032 10 30 DEEERN O=CC[C@H](O)c1ncc(Br)cc1Br ZINC000159429637 355961551 /nfs/dbraw/zinc/96/15/51/355961551.db2.gz ULSXSYGZWDDLKQ-ZETCQYMHSA-N 0 0 308.957 2.229 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000181416534 356080049 /nfs/dbraw/zinc/08/00/49/356080049.db2.gz DUYUMPYOMVLILT-HZPDHXFCSA-N 0 0 320.437 2.347 10 30 DEEERN CC(C)(C)CS(=O)(=O)Nc1ccc(C#CCCO)cc1F ZINC000080192514 192011259 /nfs/dbraw/zinc/01/12/59/192011259.db2.gz ZFSPGCUXNIAKQB-UHFFFAOYSA-N 0 0 313.394 2.347 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1-c1ccccc1 ZINC000183188493 356162658 /nfs/dbraw/zinc/16/26/58/356162658.db2.gz XBCPLEHQGUCVDD-HNNXBMFYSA-N 0 0 324.380 2.345 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000183808332 356180037 /nfs/dbraw/zinc/18/00/37/356180037.db2.gz DDRKHFDZVYHZGR-LBPRGKRZSA-N 0 0 310.344 2.233 10 30 DEEERN CC(=O)c1ccc(NC(=O)N2CCO[C@@H](C#N)C2)cc1Cl ZINC000182495973 356129727 /nfs/dbraw/zinc/12/97/27/356129727.db2.gz LHMNVAULKJOPBU-NSHDSACASA-N 0 0 307.737 2.299 10 30 DEEERN CC(C)c1noc(CCCNC(=O)Cc2ccc(C#N)cc2)n1 ZINC000194882193 356246459 /nfs/dbraw/zinc/24/64/59/356246459.db2.gz WSGIWHONFCQWMN-UHFFFAOYSA-N 0 0 312.373 2.356 10 30 DEEERN N#Cc1cc(I)cc(OC(F)(F)F)n1 ZINC000238531772 356304304 /nfs/dbraw/zinc/30/43/04/356304304.db2.gz USLDGKGNSXDYDY-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN N#C[C@@]1(c2ncc(I)cn2)CCCS1 ZINC000306259837 356403675 /nfs/dbraw/zinc/40/36/75/356403675.db2.gz UEKJODRFLJBCID-SECBINFHSA-N 0 0 317.155 2.327 10 30 DEEERN Cc1nc(CNC(=O)c2cn(C)nc2[C@H]2CCOC2)cs1 ZINC000328622257 356461575 /nfs/dbraw/zinc/46/15/75/356461575.db2.gz IJHCAKBHTDIKBR-JTQLQIEISA-N 0 0 306.391 2.194 10 30 DEEERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1nnc(C)s1 ZINC000328627127 356463345 /nfs/dbraw/zinc/46/33/45/356463345.db2.gz MKDDOPRRBLWZRZ-MWLCHTKSSA-N 0 0 307.379 2.429 10 30 DEEERN CCN1CCN(C(=O)Nc2ccsc2)C[C@H]1c1nccn1C ZINC000328626378 356463362 /nfs/dbraw/zinc/46/33/62/356463362.db2.gz LQNAQVBGLRPKDK-ZDUSSCGKSA-N 0 0 319.434 2.406 10 30 DEEERN CN(C[C@@H]1CCn2ccnc2C1)C(=O)c1sccc1C#N ZINC000328627511 356463445 /nfs/dbraw/zinc/46/34/45/356463445.db2.gz MUPGCOADUQOWCB-LLVKDONJSA-N 0 0 300.387 2.151 10 30 DEEERN Cc1nc(NC(=O)N(C)C[C@H]2CCn3ccnc3C2)oc1C ZINC000328630871 356463637 /nfs/dbraw/zinc/46/36/37/356463637.db2.gz QIUIKBZYZRKEDO-LBPRGKRZSA-N 0 0 303.366 2.228 10 30 DEEERN CN(C)c1ccc(N[C@@H]2CCCN(C(=O)NC3CC3)CC2)cn1 ZINC000328644091 356466128 /nfs/dbraw/zinc/46/61/28/356466128.db2.gz RRBFXJWRGOBPTP-CYBMUJFWSA-N 0 0 317.437 2.490 10 30 DEEERN C=CCNC(=O)Cc1noc(-c2ccc3c(c2)C(C)(C)CO3)n1 ZINC000350421067 356526205 /nfs/dbraw/zinc/52/62/05/356526205.db2.gz SGOHRMROVHFNMZ-UHFFFAOYSA-N 0 0 313.357 2.251 10 30 DEEERN CCNc1ncc(S(=O)(=O)N(CC)CCC#N)cc1Cl ZINC000081693804 192314778 /nfs/dbraw/zinc/31/47/78/192314778.db2.gz PRYAVBUBDRGUAN-UHFFFAOYSA-N 0 0 316.814 2.091 10 30 DEEERN COc1c(C)cnc(CN(C)C(=O)c2cc(C#N)cn2C)c1C ZINC000081727474 192317224 /nfs/dbraw/zinc/31/72/24/192317224.db2.gz JVPDOISKGFTCLO-UHFFFAOYSA-N 0 0 312.373 2.189 10 30 DEEERN C=CCOCCCNC(=O)C[C@H](n1cccn1)C(F)(F)F ZINC000618516710 363513616 /nfs/dbraw/zinc/51/36/16/363513616.db2.gz UXEGHYVGEGKDCG-NSHDSACASA-N 0 0 305.300 2.086 10 30 DEEERN C=CCOCCCNC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000618522703 363516139 /nfs/dbraw/zinc/51/61/39/363516139.db2.gz QLMAQKMESWZXHG-HOTGVXAUSA-N 0 0 322.449 2.124 10 30 DEEERN C[C@@H]1[C@@H](C)CCC[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1N ZINC000085915773 192539622 /nfs/dbraw/zinc/53/96/22/192539622.db2.gz ZLQFKXHMDQYJJD-WDMOLILDSA-N 0 0 307.419 2.243 10 30 DEEERN C=CCN(Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@H](C)COC ZINC000595638534 358508953 /nfs/dbraw/zinc/50/89/53/358508953.db2.gz HXWAHUXMAGATPV-GFCCVEGCSA-N 0 0 322.361 2.404 10 30 DEEERN C=C(C)C(C)(C)c1nc(-c2ccnc(S(C)(=O)=O)c2)no1 ZINC000351351307 356657670 /nfs/dbraw/zinc/65/76/70/356657670.db2.gz OJHVVMYCUXBRJS-UHFFFAOYSA-N 0 0 307.375 2.389 10 30 DEEERN C=CCC[C@H](CO)NC(=O)Nc1cn(C)nc1-c1ccco1 ZINC000626815963 366333749 /nfs/dbraw/zinc/33/37/49/366333749.db2.gz WGINIBCMENFNLM-LLVKDONJSA-N 0 0 304.350 2.129 10 30 DEEERN N#CCc1ccc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000533906060 356745208 /nfs/dbraw/zinc/74/52/08/356745208.db2.gz DLLDBYGNRAAHBJ-ZDUSSCGKSA-N 0 0 311.307 2.119 10 30 DEEERN C=CCOc1ccc(CN2CCS(=O)(=O)CC2(C)C)cc1 ZINC000579184910 356933469 /nfs/dbraw/zinc/93/34/69/356933469.db2.gz SSWTWRUWKRJVGM-UHFFFAOYSA-N 0 0 309.431 2.260 10 30 DEEERN C=CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C2CC2)C1 ZINC000579437650 356972210 /nfs/dbraw/zinc/97/22/10/356972210.db2.gz HUPXNMKHZRNCCS-LSDHHAIUSA-N 0 0 318.421 2.321 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1ccc(F)c(F)c1 ZINC000579945354 357055848 /nfs/dbraw/zinc/05/58/48/357055848.db2.gz PWQZDFRSLGETSV-WFASDCNBSA-N 0 0 310.344 2.398 10 30 DEEERN C=CCCCCCNC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000581141294 357138310 /nfs/dbraw/zinc/13/83/10/357138310.db2.gz XOWHXGIPBFUXMD-UHFFFAOYSA-N 0 0 321.421 2.104 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000581826679 357251640 /nfs/dbraw/zinc/25/16/40/357251640.db2.gz LPZWKJRHDLFMEV-XNJGSVPQSA-N 0 0 311.422 2.140 10 30 DEEERN C[C@@H]1COCC[C@@H]1CNC(=O)NCc1ccc(C#N)cc1F ZINC000588214952 357401851 /nfs/dbraw/zinc/40/18/51/357401851.db2.gz JJNIENCYGOHZKW-DGCLKSJQSA-N 0 0 305.353 2.169 10 30 DEEERN CC(C)[C@@H](C)NC(=O)C1CCN(c2ccnc(C#N)c2)CC1 ZINC000587622479 357381953 /nfs/dbraw/zinc/38/19/53/357381953.db2.gz IYGRJHYGUCPBTJ-CYBMUJFWSA-N 0 0 300.406 2.330 10 30 DEEERN C=CCOCC(=O)N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000591190680 357687854 /nfs/dbraw/zinc/68/78/54/357687854.db2.gz NKPGLRLEMPQUHQ-MRXNPFEDSA-N 0 0 323.396 2.320 10 30 DEEERN COc1ccc(CN2C[C@H](OC)C[C@H]2c2ncc[nH]2)cc1C#N ZINC000591632614 357745820 /nfs/dbraw/zinc/74/58/20/357745820.db2.gz DIGWMKIQPKKHRM-CABCVRRESA-N 0 0 312.373 2.252 10 30 DEEERN CC#CCCNC(=O)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000592010977 357815361 /nfs/dbraw/zinc/81/53/61/357815361.db2.gz QMMMEQQQWMPLNQ-KGLIPLIRSA-N 0 0 308.422 2.409 10 30 DEEERN C=CCOCCCC(=O)N1CCc2cccc(C(=O)OC)c2C1 ZINC000592889574 357969898 /nfs/dbraw/zinc/96/98/98/357969898.db2.gz ZNUBTCWKRMVFEZ-UHFFFAOYSA-N 0 0 317.385 2.341 10 30 DEEERN C=CCN(CCC#N)Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000593030240 357991656 /nfs/dbraw/zinc/99/16/56/357991656.db2.gz LUGQDDTXCPROQL-UHFFFAOYSA-N 0 0 319.430 2.029 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000180219673 199132276 /nfs/dbraw/zinc/13/22/76/199132276.db2.gz KEXVWWUSDZFHFX-ZDUSSCGKSA-N 0 0 303.406 2.472 10 30 DEEERN C=CCCn1cc(C[S@](=O)c2ccc(COC)cc2)nn1 ZINC000593940501 358175750 /nfs/dbraw/zinc/17/57/50/358175750.db2.gz OFBDBQNAHNFYFL-NRFANRHFSA-N 0 0 305.403 2.308 10 30 DEEERN C=CCCn1cc(CSc2ncccc2C(=O)OC)nn1 ZINC000594456517 358277224 /nfs/dbraw/zinc/27/72/24/358277224.db2.gz PMIORYHAQYNWDA-UHFFFAOYSA-N 0 0 304.375 2.328 10 30 DEEERN C=CCCSCCNS(=O)(=O)c1ccc(F)c(OC)c1 ZINC000594815566 358342494 /nfs/dbraw/zinc/34/24/94/358342494.db2.gz WUULTPGNPMPGLG-UHFFFAOYSA-N 0 0 319.423 2.422 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000595074010 358386905 /nfs/dbraw/zinc/38/69/05/358386905.db2.gz VAZHUGHJSPMOIP-GXTWGEPZSA-N 0 0 312.373 2.143 10 30 DEEERN C=CCNC(=O)N1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000596019125 358594927 /nfs/dbraw/zinc/59/49/27/358594927.db2.gz DOOTVOAOXMIPDX-JTQLQIEISA-N 0 0 309.391 2.005 10 30 DEEERN N#Cc1cc(Br)cnc1N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000596362932 358671939 /nfs/dbraw/zinc/67/19/39/358671939.db2.gz MDFWSKBIKPNMAI-SUZMYJTESA-N 0 0 322.206 2.313 10 30 DEEERN CN(Cc1cnccn1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618850248 363616198 /nfs/dbraw/zinc/61/61/98/363616198.db2.gz HFBORGBZLGTKAG-INIZCTEOSA-N 0 0 307.357 2.177 10 30 DEEERN C=CCNC(=O)CNC(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000181215030 199266101 /nfs/dbraw/zinc/26/61/01/199266101.db2.gz XGFSDNVCHSHCQR-LRDDRELGSA-N 0 0 319.380 2.220 10 30 DEEERN CC#CCCNC(=O)NC[C@@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000596577587 358718546 /nfs/dbraw/zinc/71/85/46/358718546.db2.gz QJQYCOCDAPAZOB-CQSZACIVSA-N 0 0 308.422 2.457 10 30 DEEERN C=CCN(C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1SC)[C@H](C)COC ZINC000596645600 358732289 /nfs/dbraw/zinc/73/22/89/358732289.db2.gz ZZMAUDUFLPKRFU-SYQHCUMBSA-N 0 0 316.467 2.128 10 30 DEEERN C=CCCC1(CNC(=O)N2CCO[C@@H](C(=O)OC)C2)CCCC1 ZINC000596683634 358740027 /nfs/dbraw/zinc/74/00/27/358740027.db2.gz NSRZVEFVMVFEIE-CQSZACIVSA-N 0 0 324.421 2.096 10 30 DEEERN C=CCSCCNC(=O)C(=O)N1CCC(c2ccco2)CC1 ZINC000597219164 358857534 /nfs/dbraw/zinc/85/75/34/358857534.db2.gz ZTXLPZWYOJIGGG-UHFFFAOYSA-N 0 0 322.430 2.021 10 30 DEEERN C=C(C)CNC(=O)C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000627494742 366533036 /nfs/dbraw/zinc/53/30/36/366533036.db2.gz TXCWRNZXBXTGMS-UHFFFAOYSA-N 0 0 302.374 2.211 10 30 DEEERN C=CCC[C@H](NC(=O)Cc1cc(C2CC2)no1)C(=O)OCC ZINC000597732017 358992067 /nfs/dbraw/zinc/99/20/67/358992067.db2.gz HAROJQKYLNOEQP-ZDUSSCGKSA-N 0 0 306.362 2.109 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000185845535 199894290 /nfs/dbraw/zinc/89/42/90/199894290.db2.gz NKBLENSEKLCRJC-KRWDZBQOSA-N 0 0 324.380 2.350 10 30 DEEERN C=CCCSCCNC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000597969392 359054102 /nfs/dbraw/zinc/05/41/02/359054102.db2.gz ZADKRNDMIFQFBW-CYBMUJFWSA-N 0 0 309.431 2.372 10 30 DEEERN C=CCCSCCNC(=O)c1ccnn1CC(F)(F)F ZINC000597971664 359055110 /nfs/dbraw/zinc/05/51/10/359055110.db2.gz GVVOKFSLMQSPGL-UHFFFAOYSA-N 0 0 307.341 2.485 10 30 DEEERN CC(=O)N(CCC(=O)N1CC[C@](C)(C#N)C1)Cc1ccccc1 ZINC000598416645 359192726 /nfs/dbraw/zinc/19/27/26/359192726.db2.gz VCQMPKVJRRGKEN-GOSISDBHSA-N 0 0 313.401 2.187 10 30 DEEERN C=C[C@@](C)(O)CC(=O)NC1(c2cccc(C#N)c2)CCOCC1 ZINC000598246751 359136899 /nfs/dbraw/zinc/13/68/99/359136899.db2.gz QLKFXAWNMKKNGG-QGZVFWFLSA-N 0 0 314.385 2.007 10 30 DEEERN C[C@@H]1CN(c2cccnc2C#N)C[C@H](c2nc(C3CC3)no2)O1 ZINC000598931741 359360147 /nfs/dbraw/zinc/36/01/47/359360147.db2.gz PTUKHJCQAQLWCU-QMTHXVAHSA-N 0 0 311.345 2.180 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCSC[C@H](C(=O)OC)C1 ZINC000599120445 359407217 /nfs/dbraw/zinc/40/72/17/359407217.db2.gz BSWDJALNSWQXFW-GFCCVEGCSA-N 0 0 314.451 2.136 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@H](CC)CSC ZINC000599476088 359507173 /nfs/dbraw/zinc/50/71/73/359507173.db2.gz YXJWGLXXULPHAX-GFCCVEGCSA-N 0 0 300.468 2.305 10 30 DEEERN C=CC[C@@H]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000599526806 359516336 /nfs/dbraw/zinc/51/63/36/359516336.db2.gz TZMZTAVXDXEYAU-GFCCVEGCSA-N 0 0 319.361 2.440 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000599374445 359481547 /nfs/dbraw/zinc/48/15/47/359481547.db2.gz JUOWTDMLGWGGDW-LBPRGKRZSA-N 0 0 310.375 2.490 10 30 DEEERN C=CCN(CC=C)C(=O)CN1CCc2c(CC#N)cccc2C1 ZINC000599685218 359572666 /nfs/dbraw/zinc/57/26/66/359572666.db2.gz AHTIZPCQMWIENJ-UHFFFAOYSA-N 0 0 309.413 2.311 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@@H](CCSC)NC(=O)CC ZINC000600164951 359670853 /nfs/dbraw/zinc/67/08/53/359670853.db2.gz LNLIFUFQXICUMH-GFCCVEGCSA-N 0 0 300.468 2.353 10 30 DEEERN C=CCOc1ccc(CN2CCO[C@@]3(CCOC3)C2)cc1OC ZINC000187545000 200125439 /nfs/dbraw/zinc/12/54/39/200125439.db2.gz VDRFEVOVRCNOKO-SFHVURJKSA-N 0 0 319.401 2.251 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1cn(C)nc1-c1ccc(C)o1 ZINC000627678726 366589486 /nfs/dbraw/zinc/58/94/86/366589486.db2.gz ATXJPGZSNYCUTG-GFCCVEGCSA-N 0 0 303.362 2.045 10 30 DEEERN C=C1CC(C)(C(=O)NCc2ccc(OC)c(C(=O)OC)c2)C1 ZINC000600988179 359884979 /nfs/dbraw/zinc/88/49/79/359884979.db2.gz ROZPOSJZSVSIFX-UHFFFAOYSA-N 0 0 303.358 2.454 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)C1=O ZINC000601071602 359912656 /nfs/dbraw/zinc/91/26/56/359912656.db2.gz QBHWXJCZBBBPGJ-XQQFMLRXSA-N 0 0 322.405 2.383 10 30 DEEERN C=CCC[C@H](C(=O)NC[C@H]1CN(C)CCO1)c1ccccc1 ZINC000188815759 200306767 /nfs/dbraw/zinc/30/67/67/200306767.db2.gz AZCWATBROSFEKZ-IRXDYDNUSA-N 0 0 302.418 2.183 10 30 DEEERN C=CC1CCN(C(=O)c2cc(C(=O)OC(C)(C)C)nn2C)CC1 ZINC000601150117 359943429 /nfs/dbraw/zinc/94/34/29/359943429.db2.gz WMMPZDVTWMJWCX-UHFFFAOYSA-N 0 0 319.405 2.414 10 30 DEEERN C=CCC[C@H](CO)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601172315 359952070 /nfs/dbraw/zinc/95/20/70/359952070.db2.gz XHLAGRWLTAPKLZ-SSDOTTSWSA-N 0 0 308.260 2.086 10 30 DEEERN C=Cc1ccc(S(=O)(=O)N[C@@H](CC(=C)C)C(=O)OC)cc1 ZINC000601501312 360055632 /nfs/dbraw/zinc/05/56/32/360055632.db2.gz MDDZYKCJBNMUDV-AWEZNQCLSA-N 0 0 309.387 2.116 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCC(=O)c1cccs1)C(=O)OC ZINC000601771031 360140492 /nfs/dbraw/zinc/14/04/92/360140492.db2.gz HEZNFTQCIWXHPP-NSHDSACASA-N 0 0 309.387 2.335 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(Br)o1)C(=O)OC ZINC000601772335 360141341 /nfs/dbraw/zinc/14/13/41/360141341.db2.gz PKGDIQZIUUWBIF-QMMMGPOBSA-N 0 0 316.151 2.280 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)OC ZINC000601773949 360142597 /nfs/dbraw/zinc/14/25/97/360142597.db2.gz XUTFUGOVLNRRFH-HNNXBMFYSA-N 0 0 300.358 2.334 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(C)c(NC(C)=O)c1)C(=O)OC ZINC000601776923 360143764 /nfs/dbraw/zinc/14/37/64/360143764.db2.gz CZZWOMFZSGLGFE-OAHLLOKOSA-N 0 0 318.373 2.191 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H](C)Oc1cccc(F)c1)C(=O)OC ZINC000601776898 360143839 /nfs/dbraw/zinc/14/38/39/360143839.db2.gz CVLFXALGGAFMSU-SMDDNHRTSA-N 0 0 309.337 2.217 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCOc1cccc(F)c1)C(=O)OC ZINC000601780649 360145850 /nfs/dbraw/zinc/14/58/50/360145850.db2.gz ZQOZTBAXFWERTN-CQSZACIVSA-N 0 0 309.337 2.219 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cncc(OC(C)C)c1)C(=O)OC ZINC000601782410 360146725 /nfs/dbraw/zinc/14/67/25/360146725.db2.gz OSRGOSMSZHXDCB-CQSZACIVSA-N 0 0 306.362 2.106 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(C)cc(C(=O)OC)c1)C(=O)OC ZINC000601784056 360147473 /nfs/dbraw/zinc/14/74/73/360147473.db2.gz GLPUDDANEIWGLW-AWEZNQCLSA-N 0 0 319.357 2.019 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H]1CCc2ccccc2O1)C(=O)OC ZINC000601785604 360148448 /nfs/dbraw/zinc/14/84/48/360148448.db2.gz SWQMVDYGCJRFRZ-UKRRQHHQSA-N 0 0 303.358 2.004 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cccc2c1ccn2C)C(=O)OC ZINC000601785643 360148555 /nfs/dbraw/zinc/14/85/55/360148555.db2.gz MKWPYQIGTPTATL-CQSZACIVSA-N 0 0 300.358 2.416 10 30 DEEERN C=C(C)C[C@@H](NC(=O)C(=O)c1ccc(Cl)cc1)C(=O)OC ZINC000601785138 360148898 /nfs/dbraw/zinc/14/88/98/360148898.db2.gz JSEYKZJTYFQLOY-GFCCVEGCSA-N 0 0 309.749 2.147 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc2ccn(C)c2c1)C(=O)OC ZINC000601788207 360150551 /nfs/dbraw/zinc/15/05/51/360150551.db2.gz OCKLPCOLBVPSQC-AWEZNQCLSA-N 0 0 300.358 2.416 10 30 DEEERN C=CCC1(C(=O)NCc2cc(C)c(C(=O)OC)o2)CCOCC1 ZINC000601841206 360171280 /nfs/dbraw/zinc/17/12/80/360171280.db2.gz ZGWDFKZNLKDLRU-UHFFFAOYSA-N 0 0 321.373 2.364 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602182531 360302247 /nfs/dbraw/zinc/30/22/47/360302247.db2.gz FKBVMXMVBMOGBD-GOSISDBHSA-N 0 0 313.401 2.288 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1CCC[C@@H](SC)C1 ZINC000602252069 360323523 /nfs/dbraw/zinc/32/35/23/360323523.db2.gz OKFCDVNECFAKQW-QWHCGFSZSA-N 0 0 312.479 2.495 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ncsc1C(F)(F)F)C(=O)OC ZINC000602410934 360360509 /nfs/dbraw/zinc/36/05/09/360360509.db2.gz AXJPADPXADPSSK-SSDOTTSWSA-N 0 0 322.308 2.400 10 30 DEEERN C=C(C)C[C@@H](NCc1ccc(C(=O)OC)c(F)c1)C(=O)OC ZINC000602738017 360528429 /nfs/dbraw/zinc/52/84/29/360528429.db2.gz FZNMXGJGHBBEQE-CQSZACIVSA-N 0 0 309.337 2.210 10 30 DEEERN CN(C)C(=O)c1ccc(C(=O)NCC2CCC(C#N)CC2)cc1 ZINC000441153639 238007867 /nfs/dbraw/zinc/00/78/67/238007867.db2.gz IUJYDSOPHWMZSL-UHFFFAOYSA-N 0 0 313.401 2.448 10 30 DEEERN C=C1CC(C)(C(=O)N(CCCOCC)C[C@H](C)C(=O)OC)C1 ZINC000602877696 360605358 /nfs/dbraw/zinc/60/53/58/360605358.db2.gz KIWAGHYTSYGPLF-AWEZNQCLSA-N 0 0 311.422 2.407 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC000602960715 360643595 /nfs/dbraw/zinc/64/35/95/360643595.db2.gz OBRJCHQJBODUFW-TXEJJXNPSA-N 0 0 302.334 2.435 10 30 DEEERN CC(=O)N(C)c1ccc(NC(=O)N(C)[C@H]2CCC[C@@H]2C#N)cn1 ZINC000603037408 360677433 /nfs/dbraw/zinc/67/74/33/360677433.db2.gz DWVYPFBJDDIGAL-OCCSQVGLSA-N 0 0 315.377 2.220 10 30 DEEERN C=C(C)CCn1cc(CN2CCC(C(=O)OCC)CC2)nn1 ZINC000603226020 360755060 /nfs/dbraw/zinc/75/50/60/360755060.db2.gz CKWLOIFEXGYZIP-UHFFFAOYSA-N 0 0 306.410 2.019 10 30 DEEERN C=CC(C)(C)CCNc1ccc(C#N)cc1CS(N)(=O)=O ZINC000603411828 360823089 /nfs/dbraw/zinc/82/30/89/360823089.db2.gz IQJUIKCOKBWDJD-UHFFFAOYSA-N 0 0 307.419 2.361 10 30 DEEERN CCn1cc([C@H]2CN(C(=O)c3cc(C#N)cs3)CCO2)cn1 ZINC000191764262 200760129 /nfs/dbraw/zinc/76/01/29/200760129.db2.gz IVWZRDUUIAQEQF-CYBMUJFWSA-N 0 0 316.386 2.050 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)C(C)C)cc2C1=O ZINC000606805179 361041990 /nfs/dbraw/zinc/04/19/90/361041990.db2.gz IMCAHSNTGZNGKQ-LBPRGKRZSA-N 0 0 314.385 2.491 10 30 DEEERN Cc1csc(CCCCNC(=O)c2ccnc(C#N)c2)n1 ZINC000193091059 200990186 /nfs/dbraw/zinc/99/01/86/200990186.db2.gz OWKOVQQBDHBVCC-UHFFFAOYSA-N 0 0 300.387 2.471 10 30 DEEERN CNC(=O)Cc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000610519251 361415119 /nfs/dbraw/zinc/41/51/19/361415119.db2.gz KQMZRWQMRBALIA-UHFFFAOYSA-N 0 0 307.353 2.028 10 30 DEEERN C=CC(C)(C)CCNC(=O)COCCNC(=O)c1ccccc1 ZINC000628314428 366806126 /nfs/dbraw/zinc/80/61/26/366806126.db2.gz ZABVWGKXSODRTJ-UHFFFAOYSA-N 0 0 318.417 2.152 10 30 DEEERN Cc1nc(C(=O)NCC[C@H]2COc3ccccc3O2)ccc1C#N ZINC000610809620 361469958 /nfs/dbraw/zinc/46/99/58/361469958.db2.gz YBRCVRXXQWDIFT-AWEZNQCLSA-N 0 0 323.352 2.222 10 30 DEEERN C[C@H](C[C@H]1CCOC1)NC(=O)NCc1ccc(C#N)cc1F ZINC000610738098 361456071 /nfs/dbraw/zinc/45/60/71/361456071.db2.gz OPGHITGVQYWMLZ-DGCLKSJQSA-N 0 0 305.353 2.312 10 30 DEEERN O=C(NCC#CCOc1cccc2cccnc21)c1ccno1 ZINC000090742807 192927406 /nfs/dbraw/zinc/92/74/06/192927406.db2.gz LXTAKQVQNDAYEU-UHFFFAOYSA-N 0 0 307.309 2.035 10 30 DEEERN C[C@H](NC(=O)NCc1ccc(C#N)cc1F)[C@@H]1CCCCO1 ZINC000611471981 361605074 /nfs/dbraw/zinc/60/50/74/361605074.db2.gz SBWQWEHTLOXMMW-NHYWBVRUSA-N 0 0 305.353 2.454 10 30 DEEERN COC(=O)C[C@@H]1CCCCN1C(=O)Cc1cccc(C#N)c1 ZINC000611340480 361582550 /nfs/dbraw/zinc/58/25/50/361582550.db2.gz OOJOYRGYZUXLAG-HNNXBMFYSA-N 0 0 300.358 2.045 10 30 DEEERN C=CCOCCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000611561485 361632365 /nfs/dbraw/zinc/63/23/65/361632365.db2.gz NXEJILQUGIYEBD-OAHLLOKOSA-N 0 0 316.361 2.210 10 30 DEEERN COc1cc(CCNC(=O)N2CCC(C)(C#N)CC2)ccc1O ZINC000611562376 361632503 /nfs/dbraw/zinc/63/25/03/361632503.db2.gz FUMUUEOZDSDBKA-UHFFFAOYSA-N 0 0 317.389 2.279 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000611628002 361647980 /nfs/dbraw/zinc/64/79/80/361647980.db2.gz AJNXXFOTKSHKJM-ZYHUDNBSSA-N 0 0 322.409 2.015 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CCCO[C@H]1C(C)C ZINC000612009076 361724179 /nfs/dbraw/zinc/72/41/79/361724179.db2.gz SMQCWDWKCHKBCY-JYJNAYRXSA-N 0 0 310.438 2.025 10 30 DEEERN C=C[C@H](NCc1ccc(Br)cc1OC)C(=O)OC ZINC000619703990 363861057 /nfs/dbraw/zinc/86/10/57/363861057.db2.gz SLEZBCHXNFPRHW-NSHDSACASA-N 0 0 314.179 2.275 10 30 DEEERN C[C@@H](C(=O)N1CCC(C2CCCC2)CC1)n1cnc(C#N)n1 ZINC000619595123 363836334 /nfs/dbraw/zinc/83/63/34/363836334.db2.gz LHBUCZBAMZPNMH-LBPRGKRZSA-N 0 0 301.394 2.140 10 30 DEEERN Cn1nccc1[C@@H]1CCCCN1C(=O)c1cc(O)cc(C#N)c1 ZINC000619618346 363841176 /nfs/dbraw/zinc/84/11/76/363841176.db2.gz NICCJYOJBRCCOG-INIZCTEOSA-N 0 0 310.357 2.365 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000619968678 363922550 /nfs/dbraw/zinc/92/25/50/363922550.db2.gz BHZLQZLLBSUODP-BZUAXINKSA-N 0 0 306.450 2.348 10 30 DEEERN C=C(C)[C@H](CC(=O)NCC1(O)CCC(F)(F)CC1)OCC ZINC000620323188 364016056 /nfs/dbraw/zinc/01/60/56/364016056.db2.gz KISREWMKJYMQFB-LBPRGKRZSA-N 0 0 305.365 2.414 10 30 DEEERN C=CCn1cc(CNCc2ccnn2CCc2ccccc2)nn1 ZINC000621365585 364372288 /nfs/dbraw/zinc/37/22/88/364372288.db2.gz YCIFOQZZIMVOKB-UHFFFAOYSA-N 0 0 322.416 2.193 10 30 DEEERN C=CCCCS(=O)(=O)N(C)Cc1c(C)cc(C)nc1OC ZINC000621317072 364350569 /nfs/dbraw/zinc/35/05/69/364350569.db2.gz MVWDCHCQHRBTBJ-UHFFFAOYSA-N 0 0 312.435 2.435 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cccc(N3C(=O)CCC3=O)c2)C1 ZINC000628482587 366862530 /nfs/dbraw/zinc/86/25/30/366862530.db2.gz SHBQMWXZGCDANW-CYBMUJFWSA-N 0 0 312.369 2.378 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2nnn(Cc3ccncc3)c2C)C1 ZINC000628492034 366866933 /nfs/dbraw/zinc/86/69/33/366866933.db2.gz MPEFKVWRAWZROF-AWEZNQCLSA-N 0 0 311.389 2.068 10 30 DEEERN C=CCC1(C(=O)N2CC(C3CS(=O)(=O)C3)C2)CCCCC1 ZINC000622088152 364659010 /nfs/dbraw/zinc/65/90/10/364659010.db2.gz GQEJOAXQNDGLCL-UHFFFAOYSA-N 0 0 311.447 2.016 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)C1 ZINC000628492551 366867142 /nfs/dbraw/zinc/86/71/42/366867142.db2.gz XGUWGVPKUNFIRN-JEYLPNPQSA-N 0 0 304.434 2.496 10 30 DEEERN CCc1nnc(NC[C@H]2CCc3nccn3C2)c(C#N)c1CC ZINC000275428752 212327088 /nfs/dbraw/zinc/32/70/88/212327088.db2.gz FEGSYUGJAIUADV-GFCCVEGCSA-N 0 0 310.405 2.344 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@H](C)C(=O)NCc1ccco1 ZINC000623535246 365067708 /nfs/dbraw/zinc/06/77/08/365067708.db2.gz RQJARQZPRBVLSF-GFCCVEGCSA-N 0 0 307.394 2.186 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2cccc(-n3cncn3)c2)C1 ZINC000623624865 365105557 /nfs/dbraw/zinc/10/55/57/365105557.db2.gz BXZZCLZACWQWPB-AWEZNQCLSA-N 0 0 311.389 2.375 10 30 DEEERN COc1c(C)cc(CN(C)C(=O)Nc2ncnn2C)cc1C ZINC000091185168 193014820 /nfs/dbraw/zinc/01/48/20/193014820.db2.gz ILEHKJGQUYKCGU-UHFFFAOYSA-N 0 0 303.366 2.118 10 30 DEEERN C=C(C)CNC(=O)NC[C@H]1CCN1Cc1ccc(OC)cc1 ZINC000623908879 365216338 /nfs/dbraw/zinc/21/63/38/365216338.db2.gz VIZRTIXMNPFYPU-OAHLLOKOSA-N 0 0 303.406 2.145 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](OCC)[C@@H]2n2cccn2)C1 ZINC000624133263 365301367 /nfs/dbraw/zinc/30/13/67/365301367.db2.gz KDFOCZRMNPDGHR-KLHDSHLOSA-N 0 0 318.421 2.209 10 30 DEEERN CSC1(C#N)CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000091477344 193062137 /nfs/dbraw/zinc/06/21/37/193062137.db2.gz FYLVLEJUQUZHFD-UHFFFAOYSA-N 0 0 314.407 2.236 10 30 DEEERN COCCN(CCC#N)c1nc(Cl)ncc1Br ZINC000091659112 193085994 /nfs/dbraw/zinc/08/59/94/193085994.db2.gz LOHSOPXKKNRZKU-UHFFFAOYSA-N 0 0 319.590 2.259 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC000624384292 365404906 /nfs/dbraw/zinc/40/49/06/365404906.db2.gz MCHCDOMPLIJFAR-AWEZNQCLSA-N 0 0 322.453 2.178 10 30 DEEERN C=CCC[C@H](NCc1cnc2nc(C)cc(C)n12)C(=O)OCC ZINC000449656301 240857865 /nfs/dbraw/zinc/85/78/65/240857865.db2.gz KEVALIMTUPOPMI-HNNXBMFYSA-N 0 0 316.405 2.334 10 30 DEEERN C=CCn1cc(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)nn1 ZINC000628984662 367037245 /nfs/dbraw/zinc/03/72/45/367037245.db2.gz LWUWYMYHPYWDGR-NILFDRSVSA-N 0 0 314.776 2.186 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H](C)Nc1cnc(OC)c(OC)c1 ZINC000629253632 367134629 /nfs/dbraw/zinc/13/46/29/367134629.db2.gz AHSOOQAPYMKYEO-GFCCVEGCSA-N 0 0 305.378 2.100 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2CCN(C(=O)NCC)C2)CCCCC1 ZINC000450122422 241461675 /nfs/dbraw/zinc/46/16/75/241461675.db2.gz OPGUTANXQFXOCY-CQSZACIVSA-N 0 0 307.438 2.433 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@H]2CCN(C3CCC3)C2=O)cc1 ZINC000629930038 367382497 /nfs/dbraw/zinc/38/24/97/367382497.db2.gz QNVWEWKVIWFIPT-INIZCTEOSA-N 0 0 314.385 2.135 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CCC(C)(C)C)C(=O)OCC ZINC000450811092 242258004 /nfs/dbraw/zinc/25/80/04/242258004.db2.gz ZDXUWVDQBNSFBK-RDBSUJKOSA-N 0 0 311.422 2.452 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1=O ZINC000630507294 367696229 /nfs/dbraw/zinc/69/62/29/367696229.db2.gz VEPOUCTWCHIXSJ-NSHDSACASA-N 0 0 320.345 2.103 10 30 DEEERN Cc1c(N)cccc1NS(=O)(=O)c1ccc(CC#N)cc1 ZINC000092130551 193165994 /nfs/dbraw/zinc/16/59/94/193165994.db2.gz XISTXTMKHDZSRV-UHFFFAOYSA-N 0 0 301.371 2.444 10 30 DEEERN N#CCc1ccc(S(=O)(=O)Nc2ccc(N)cc2F)cc1 ZINC000092130583 193165997 /nfs/dbraw/zinc/16/59/97/193165997.db2.gz CCEWBVYSKOUFKT-UHFFFAOYSA-N 0 0 305.334 2.275 10 30 DEEERN C=C1CC(C)(C(=O)NCCCS(=O)(=O)c2ccccc2)C1 ZINC000630837734 367872152 /nfs/dbraw/zinc/87/21/52/367872152.db2.gz KHJCMWGRIZNLDK-UHFFFAOYSA-N 0 0 307.415 2.323 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCc2cccc(OC)c2OC)C1=O ZINC000630968628 367941406 /nfs/dbraw/zinc/94/14/06/367941406.db2.gz BCCKICBXAFDIDS-ZDUSSCGKSA-N 0 0 318.373 2.133 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2CCc3cc(OC)ccc3C2)C1=O ZINC000630973833 367945241 /nfs/dbraw/zinc/94/52/41/367945241.db2.gz FWZJPZJYLDCVBR-HOCLYGCPSA-N 0 0 314.385 2.439 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2CCc3cc(O)ccc3C2)C1=O ZINC000630981048 367948647 /nfs/dbraw/zinc/94/86/47/367948647.db2.gz FBRQPFLRXNZEFC-UKRRQHHQSA-N 0 0 300.358 2.136 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2CCO[C@@H](c3ccccn3)C2)C1=O ZINC000630982901 367949598 /nfs/dbraw/zinc/94/95/98/367949598.db2.gz MZHPYBITZROQBA-BPLDGKMQSA-N 0 0 315.373 2.188 10 30 DEEERN C=CCc1ccc(OC[C@H](O)CC2(O)CCOCC2)c(OC)c1 ZINC000631000753 367960713 /nfs/dbraw/zinc/96/07/13/367960713.db2.gz DIXZKQCWNYFPET-OAHLLOKOSA-N 0 0 322.401 2.095 10 30 DEEERN CC(=O)c1cccc(C#N)c1OCCc1nnn(C(C)(C)C)n1 ZINC000631032452 367977514 /nfs/dbraw/zinc/97/75/14/367977514.db2.gz CWBDZPPZMQEXIN-UHFFFAOYSA-N 0 0 313.361 2.124 10 30 DEEERN C=C1CC(C)(C(=O)NCCCc2nnc3n2CCCCC3)C1 ZINC000631278255 368118624 /nfs/dbraw/zinc/11/86/24/368118624.db2.gz ASAVDGIJHGDDRY-UHFFFAOYSA-N 0 0 302.422 2.410 10 30 DEEERN CC(=O)c1ccc(NC(=O)N2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC000631470451 368241887 /nfs/dbraw/zinc/24/18/87/368241887.db2.gz ZEVSRJLWGMSFSY-CHWSQXEVSA-N 0 0 314.389 2.339 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc2[nH]c(=O)c(C)cc2c1 ZINC000631990852 368483103 /nfs/dbraw/zinc/48/31/03/368483103.db2.gz HIOLJRYZLXKCLP-UHFFFAOYSA-N 0 0 320.414 2.423 10 30 DEEERN C=C(C)CCNC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000452721172 244548482 /nfs/dbraw/zinc/54/84/82/244548482.db2.gz GLGLAUUFMVDRLE-GFCCVEGCSA-N 0 0 308.328 2.400 10 30 DEEERN CN(C)c1nnc(SCc2cc(F)cc(C#CCO)c2)s1 ZINC000093982799 193334112 /nfs/dbraw/zinc/33/41/12/193334112.db2.gz NYDUBXWUXHXVFA-UHFFFAOYSA-N 0 0 323.418 2.379 10 30 DEEERN CN(C)c1nnc(S[C@H]2CC[C@@](C#N)(NC3CC3)C2)s1 ZINC000093822065 193312763 /nfs/dbraw/zinc/31/27/63/193312763.db2.gz NWBVKCNGFOECHN-GXFFZTMASA-N 0 0 309.464 2.263 10 30 DEEERN N#Cc1ccc2ncc(CN3CCO[C@H](c4ccco4)C3)n2c1 ZINC000093841407 193316034 /nfs/dbraw/zinc/31/60/34/193316034.db2.gz ZMUCYCHDUBSIKP-INIZCTEOSA-N 0 0 308.341 2.372 10 30 DEEERN C#CCN1C(=O)N=C(N)[C@H]1c1cc(Br)ccc1F ZINC000094516887 193376756 /nfs/dbraw/zinc/37/67/56/193376756.db2.gz JHCSMMSKDYIRPJ-SNVBAGLBSA-N 0 0 310.126 2.055 10 30 DEEERN C=CCN1C(=O)COc2cc(NC(=O)c3cccnc3)ccc21 ZINC000012289471 181745845 /nfs/dbraw/zinc/74/58/45/181745845.db2.gz QWPUHEPXXZKMKY-UHFFFAOYSA-N 0 0 309.325 2.245 10 30 DEEERN C[C@@H](O)CN1CCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000329417881 296182281 /nfs/dbraw/zinc/18/22/81/296182281.db2.gz DOLMEAXSCVAKPV-LTIDMASMSA-N 0 0 323.481 2.258 10 30 DEEERN C=CCN(CC=C)C(=O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271705446 209140035 /nfs/dbraw/zinc/14/00/35/209140035.db2.gz ICHUYJNRMOJNNB-CYBMUJFWSA-N 0 0 303.362 2.446 10 30 DEEERN N#CC1(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)CCCC1 ZINC000097375864 193713567 /nfs/dbraw/zinc/71/35/67/193713567.db2.gz YSUICZXXABGVKO-LLVKDONJSA-N 0 0 303.328 2.213 10 30 DEEERN CN(C)c1cccc(NC(=O)c2sccc2C#CCO)c1 ZINC000161406498 197492773 /nfs/dbraw/zinc/49/27/73/197492773.db2.gz JGEHGXLBQQQYDK-UHFFFAOYSA-N 0 0 300.383 2.410 10 30 DEEERN C=CCn1c(C)nnc1S(=O)(=O)Cc1ccc2c(c1)CCC2 ZINC000266503654 205392209 /nfs/dbraw/zinc/39/22/09/205392209.db2.gz XISVIZCYWQNBDA-UHFFFAOYSA-N 0 0 317.414 2.235 10 30 DEEERN CC(=O)[C@H](NC(=O)COc1ccc(C#N)cc1Cl)C(C)C ZINC000021913039 182298435 /nfs/dbraw/zinc/29/84/35/182298435.db2.gz ZCJMHTBKQYWRPX-OAHLLOKOSA-N 0 0 308.765 2.320 10 30 DEEERN N#CCc1cccc(NC(=O)N2CCSC[C@H]2CCO)c1 ZINC000455909270 246841192 /nfs/dbraw/zinc/84/11/92/246841192.db2.gz ARIZLOSFVAXEFO-CQSZACIVSA-N 0 0 305.403 2.084 10 30 DEEERN C=C(C)CN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000030494509 182590833 /nfs/dbraw/zinc/59/08/33/182590833.db2.gz LRRHBAATDCUVSH-UHFFFAOYSA-N 0 0 314.363 2.190 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3C[C@H]3C(C)C)cc2C1=O ZINC000458129430 248162584 /nfs/dbraw/zinc/16/25/84/248162584.db2.gz ORVZADCWZCUUNY-DZGCQCFKSA-N 0 0 312.369 2.243 10 30 DEEERN C=CCCc1ccccc1NC(=O)N1CCC[C@](O)(CO)C1 ZINC000459543065 248643426 /nfs/dbraw/zinc/64/34/26/248643426.db2.gz BLJWURNRWSZBSP-QGZVFWFLSA-N 0 0 304.390 2.156 10 30 DEEERN CC(C)C[C@@H](C)N(C)S(=O)(=O)c1ccc(C#CCO)cc1 ZINC000042598179 183289426 /nfs/dbraw/zinc/28/94/26/183289426.db2.gz UHEQCKBMOMZTJG-CQSZACIVSA-N 0 0 309.431 2.086 10 30 DEEERN C#CCN(C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1)C1CC1 ZINC000274085839 211339685 /nfs/dbraw/zinc/33/96/85/211339685.db2.gz HWAHQAUCUUIRML-CYBMUJFWSA-N 0 0 309.373 2.136 10 30 DEEERN C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1c1cccc(F)c1C#N ZINC000284524945 218064112 /nfs/dbraw/zinc/06/41/12/218064112.db2.gz JGZVRQHKBDUMST-XKQJLSEDSA-N 0 0 304.365 2.454 10 30 DEEERN C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000284790580 218180058 /nfs/dbraw/zinc/18/00/58/218180058.db2.gz MDPODTFFYOYMIC-SZMVWBNQSA-N 0 0 318.392 2.449 10 30 DEEERN C[C@H](NS(=O)(=O)c1cccs1)c1cccc(C#CCO)c1 ZINC000049590881 183744758 /nfs/dbraw/zinc/74/47/58/183744758.db2.gz MBAJTQUOSUTEPP-LBPRGKRZSA-N 0 0 321.423 2.131 10 30 DEEERN N#Cc1cnccc1N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000553589845 291746224 /nfs/dbraw/zinc/74/62/24/291746224.db2.gz RHPLVIZAIRTBNH-HNNXBMFYSA-N 0 0 307.357 2.093 10 30 DEEERN C=CCN(CC(=O)OCC)S(=O)(=O)/C=C/c1ccccc1 ZINC000110055975 194307199 /nfs/dbraw/zinc/30/71/99/194307199.db2.gz IBOHCAMRFDXPQO-ZRDIBKRKSA-N 0 0 309.387 2.038 10 30 DEEERN Cc1nc(SCC(=O)Nc2nccs2)c(C#N)cc1C#N ZINC000059371149 184138088 /nfs/dbraw/zinc/13/80/88/184138088.db2.gz JIPUETRIGKOZMM-UHFFFAOYSA-N 0 0 315.383 2.321 10 30 DEEERN CCCN[C@](C)(C#N)CCCSc1n[nH]c(=O)n1CCC ZINC000061607376 184177805 /nfs/dbraw/zinc/17/78/05/184177805.db2.gz BAGOTVKSTSHPFR-AWEZNQCLSA-N 0 0 311.455 2.136 10 30 DEEERN CC(C)n1c(=O)[nH]nc1SCc1sccc1C#CCCO ZINC000061606916 184178247 /nfs/dbraw/zinc/17/82/47/184178247.db2.gz VRJQKFHVUHXQBT-UHFFFAOYSA-N 0 0 323.443 2.240 10 30 DEEERN CCN[C@@](C)(C#N)CCSc1ccc(S(C)(=O)=O)cc1 ZINC000063131816 184272305 /nfs/dbraw/zinc/27/23/05/184272305.db2.gz WNJSQYICJMWBEU-CQSZACIVSA-N 0 0 312.460 2.464 10 30 DEEERN Cc1cc(S(C)(=O)=O)ccc1NC(=O)C1(C#N)CCCC1 ZINC000114296072 194644678 /nfs/dbraw/zinc/64/46/78/194644678.db2.gz MISMYHUEZBDJIW-UHFFFAOYSA-N 0 0 306.387 2.421 10 30 DEEERN N#Cc1cc(C(=O)NCc2nnc3ccccn32)ccc1Cl ZINC000538649682 285043347 /nfs/dbraw/zinc/04/33/47/285043347.db2.gz JVBRVKYVZFDXNS-UHFFFAOYSA-N 0 0 311.732 2.184 10 30 DEEERN C[C@H](C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)n1cnc(C#N)n1 ZINC000540607058 285121381 /nfs/dbraw/zinc/12/13/81/285121381.db2.gz KVIUZMWDGGNVSA-ZOBORPQBSA-N 0 0 301.394 2.186 10 30 DEEERN N#C[C@]1([C@@H](O)c2ccc(C(F)(F)F)cc2)CCS(=O)(=O)C1 ZINC000157642548 197204928 /nfs/dbraw/zinc/20/49/28/197204928.db2.gz FWFMZSRERGZOLV-NWDGAFQWSA-N 0 0 319.304 2.067 10 30 DEEERN C=CCCS(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000120314549 195141659 /nfs/dbraw/zinc/14/16/59/195141659.db2.gz IGHVEZXQEGHPDR-CYBMUJFWSA-N 0 0 309.387 2.458 10 30 DEEERN Cc1nncn1-c1cccc(NC(=O)c2cc(C#N)cn2C)c1 ZINC000156773855 197139482 /nfs/dbraw/zinc/13/94/82/197139482.db2.gz OPNOIZWPNUJHHP-UHFFFAOYSA-N 0 0 306.329 2.038 10 30 DEEERN O=C(NC[C@H]1CCCCS1)c1cc(C#CCO)ccc1F ZINC000156560818 197124012 /nfs/dbraw/zinc/12/40/12/197124012.db2.gz BSLOTBKQUMKAKE-CYBMUJFWSA-N 0 0 307.390 2.185 10 30 DEEERN CS(=O)(=O)c1csc(C(=O)Nc2ccccc2C#N)c1 ZINC000155445008 197055522 /nfs/dbraw/zinc/05/55/22/197055522.db2.gz FORXMGFQPMYYSD-UHFFFAOYSA-N 0 0 306.368 2.276 10 30 DEEERN C=CCO[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)Cc1cccs1 ZINC000253377461 257106113 /nfs/dbraw/zinc/10/61/13/257106113.db2.gz XDSVNLUATLTSFL-FMKPAKJESA-N 0 0 307.415 2.252 10 30 DEEERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000120955482 195271146 /nfs/dbraw/zinc/27/11/46/195271146.db2.gz UZEHULOBJLBKBK-CQSZACIVSA-N 0 0 324.388 2.410 10 30 DEEERN CCOC(=O)c1c(C)[nH]c(C(=O)NC2(C#N)CCCC2)c1C ZINC000121956166 195380828 /nfs/dbraw/zinc/38/08/28/195380828.db2.gz AKUSQGOKDQOTIO-UHFFFAOYSA-N 0 0 303.362 2.374 10 30 DEEERN N#Cc1ccc(F)c(Cn2cc(N)cc(Br)c2=O)c1 ZINC000122407767 195447038 /nfs/dbraw/zinc/44/70/38/195447038.db2.gz UIEZZLAKTCHALF-UHFFFAOYSA-N 0 0 322.137 2.252 10 30 DEEERN N#Cc1ccc2[nH]c(=S)n(CCC(=O)N3CCCC3)c2c1 ZINC000125100214 195712473 /nfs/dbraw/zinc/71/24/73/195712473.db2.gz HTBKVSBMVHNSID-UHFFFAOYSA-N 0 0 300.387 2.209 10 30 DEEERN COc1nccc(NC(=O)N(C[C@@H]2CCCO2)C2CCCC2)n1 ZINC000328728430 533242710 /nfs/dbraw/zinc/24/27/10/533242710.db2.gz DWAWRPJQHUNWSA-ZDUSSCGKSA-N 0 0 320.393 2.454 10 30 DEEERN CO[C@](C)(CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)C1CC1 ZINC000329625825 533328486 /nfs/dbraw/zinc/32/84/86/533328486.db2.gz OQOGBLJQQMXGDT-XNRPHZJLSA-N 0 0 307.394 2.269 10 30 DEEERN COc1cc(C#N)ccc1S(=O)(=O)N1CCCC12CCC2 ZINC000443965735 533504729 /nfs/dbraw/zinc/50/47/29/533504729.db2.gz XNWCFJCATFNQGE-UHFFFAOYSA-N 0 0 306.387 2.274 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N(C)CC(C)(C)C ZINC000453454140 533536188 /nfs/dbraw/zinc/53/61/88/533536188.db2.gz BRMZKQZHFINTIA-UHFFFAOYSA-N 0 0 317.441 2.440 10 30 DEEERN COc1cccc(C[C@H](C)NC(=O)N2CC[C@H](C)[C@H]2CO)c1 ZINC000331297728 533544022 /nfs/dbraw/zinc/54/40/22/533544022.db2.gz URAOAQFPESWGLR-HEHGZKQESA-N 0 0 306.406 2.243 10 30 DEEERN C[C@H](CC(=O)N1CCCC(C)(C)[C@H]1C#N)N1CCCCC1=O ZINC000407985393 533624968 /nfs/dbraw/zinc/62/49/68/533624968.db2.gz NTIIRSOHWFKSLQ-ZIAGYGMSSA-N 0 0 305.422 2.318 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3sccc3C#N)[C@H]2C1 ZINC000245679293 132569521 /nfs/dbraw/zinc/56/95/21/132569521.db2.gz GTGJBSKASRDJIF-AGIUHOORSA-N 0 0 306.387 2.028 10 30 DEEERN N#Cc1ccnc(NC(=O)c2cncc(Br)c2)c1 ZINC000357424527 133077360 /nfs/dbraw/zinc/07/73/60/133077360.db2.gz KOGYOKPLVGPADX-UHFFFAOYSA-N 0 0 303.119 2.363 10 30 DEEERN COc1ccc(C(=O)Nc2nc3c(cc2C#N)CCCC3)nc1 ZINC000362037736 133206689 /nfs/dbraw/zinc/20/66/89/133206689.db2.gz IZTFAXRMNCYURU-UHFFFAOYSA-N 0 0 308.341 2.488 10 30 DEEERN Cc1cc(C#N)nc(N2CCC(n3cc(Cl)cn3)CC2)n1 ZINC000376410366 133293533 /nfs/dbraw/zinc/29/35/33/133293533.db2.gz VHXGZGVLSISVPW-UHFFFAOYSA-N 0 0 302.769 2.348 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CCC=C(C)C1 ZINC000567215518 335068824 /nfs/dbraw/zinc/06/88/24/335068824.db2.gz FRQPUGMXOFNMCC-UHFFFAOYSA-N 0 0 313.409 2.115 10 30 DEEERN C[C@@H](NC(=O)/C=C/c1ccccc1C#N)c1nnc2n1CCCC2 ZINC000178616937 144861882 /nfs/dbraw/zinc/86/18/82/144861882.db2.gz WQBOBVQCPFQQMI-WTNCMQEWSA-N 0 0 321.384 2.377 10 30 DEEERN CNC(=O)CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000185204196 144957713 /nfs/dbraw/zinc/95/77/13/144957713.db2.gz HVFJUGFSBAJWGQ-UHFFFAOYSA-N 0 0 309.325 2.425 10 30 DEEERN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1Cc1ccc(C#N)o1 ZINC000185627651 144965225 /nfs/dbraw/zinc/96/52/25/144965225.db2.gz VCZAJLZICRCSQC-MRXNPFEDSA-N 0 0 313.332 2.272 10 30 DEEERN C[C@H](NC(=O)Cn1cnc(C#N)n1)c1ccc(C(C)(C)C)cc1 ZINC000192467977 145073761 /nfs/dbraw/zinc/07/37/61/145073761.db2.gz IXGBZTNNXMUQCF-LBPRGKRZSA-N 0 0 311.389 2.325 10 30 DEEERN N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2ccnc(N)n2)C1 ZINC000192752570 145078536 /nfs/dbraw/zinc/07/85/36/145078536.db2.gz XKBROUMBTCMZJE-NSHDSACASA-N 0 0 324.344 2.223 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(F)cc1C#N ZINC000248864704 145170494 /nfs/dbraw/zinc/17/04/94/145170494.db2.gz SRHNGMJUSGEGNR-RCBQFDQVSA-N 0 0 302.349 2.471 10 30 DEEERN CC[C@](C)(O)CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000359248270 147291369 /nfs/dbraw/zinc/29/13/69/147291369.db2.gz BNUQJLVVTSVNBI-WBVHZDCISA-N 0 0 304.390 2.239 10 30 DEEERN Cc1cc(C)c(C#N)c(N[C@@H]2CCN(C(=O)c3ccncc3)C2)n1 ZINC000370539435 148028567 /nfs/dbraw/zinc/02/85/67/148028567.db2.gz MCERHWBCBUSOIL-OAHLLOKOSA-N 0 0 321.384 2.292 10 30 DEEERN Cc1cc(=O)[nH]cc1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000371362312 148093727 /nfs/dbraw/zinc/09/37/27/148093727.db2.gz VLEYEDATIVWWNB-INIZCTEOSA-N 0 0 323.352 2.181 10 30 DEEERN Cc1nnc([C@H]2CN(c3c(C#N)cnc4ccccc43)CCO2)o1 ZINC000376045749 148448209 /nfs/dbraw/zinc/44/82/09/148448209.db2.gz XPOFIVYPCCKXIB-OAHLLOKOSA-N 0 0 321.340 2.376 10 30 DEEERN CCOCCC1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCCC1 ZINC000370573629 286041002 /nfs/dbraw/zinc/04/10/02/286041002.db2.gz ICNHMKUHILEJBX-INIZCTEOSA-N 0 0 319.449 2.172 10 30 DEEERN C=CCCOCCNC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000127098575 401720537 /nfs/dbraw/zinc/72/05/37/401720537.db2.gz WOGNZBUDSXCUED-ZDUSSCGKSA-N 0 0 310.419 2.424 10 30 DEEERN CC(C)[C@@](C)(C#N)NC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000112196148 401732920 /nfs/dbraw/zinc/73/29/20/401732920.db2.gz AGJXVNTVDAMQOX-CQSZACIVSA-N 0 0 303.391 2.212 10 30 DEEERN CC(C)[C@H](C)NC(=O)C1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000112560102 401749359 /nfs/dbraw/zinc/74/93/59/401749359.db2.gz KAEJSYIAJVSMOJ-GJZGRUSLSA-N 0 0 304.438 2.303 10 30 DEEERN CC[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000126365365 401690752 /nfs/dbraw/zinc/69/07/52/401690752.db2.gz RBHPCRQVTAYEOS-HZPDHXFCSA-N 0 0 317.389 2.194 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000126823735 401709889 /nfs/dbraw/zinc/70/98/89/401709889.db2.gz HSWATANGVCFOOR-HNNXBMFYSA-N 0 0 309.373 2.011 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@]3(CC=CCC3)C2)cn1 ZINC000114499675 401802487 /nfs/dbraw/zinc/80/24/87/401802487.db2.gz RMQNAYBCTUGHOC-MRXNPFEDSA-N 0 0 317.414 2.464 10 30 DEEERN COCCCOC1CN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000128739386 401789769 /nfs/dbraw/zinc/78/97/69/401789769.db2.gz WWCCXSVIZSRIGB-UHFFFAOYSA-N 0 0 315.295 2.214 10 30 DEEERN C=CCCCN(C)C(=O)NCCNC(=O)c1ccccc1F ZINC000077572613 401820854 /nfs/dbraw/zinc/82/08/54/401820854.db2.gz JDFJMOAPEYSDTB-UHFFFAOYSA-N 0 0 307.369 2.163 10 30 DEEERN N#CCCN(CCC#N)C(=O)CN1CCC[C@@H]1c1ccco1 ZINC000116297490 401848438 /nfs/dbraw/zinc/84/84/38/401848438.db2.gz MEIYOKYLBRCBSD-CQSZACIVSA-N 0 0 300.362 2.072 10 30 DEEERN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116319570 401849072 /nfs/dbraw/zinc/84/90/72/401849072.db2.gz NWGOWNKIXCMEKS-HIFRSBDPSA-N 0 0 323.400 2.108 10 30 DEEERN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116578148 401855407 /nfs/dbraw/zinc/85/54/07/401855407.db2.gz JLQJFXOWVJSKMP-CQSZACIVSA-N 0 0 309.325 2.453 10 30 DEEERN N#C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000116757495 401857912 /nfs/dbraw/zinc/85/79/12/401857912.db2.gz YGIKZFCLGVQYGS-NSHDSACASA-N 0 0 323.736 2.435 10 30 DEEERN C=CCOc1ccc(C(=O)N(C)CC(=O)NC(C)(C)C)cc1 ZINC000030563076 401863978 /nfs/dbraw/zinc/86/39/78/401863978.db2.gz DQNIKFAINIHPKZ-UHFFFAOYSA-N 0 0 304.390 2.238 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)[C@H](C)COC ZINC000117904715 401887201 /nfs/dbraw/zinc/88/72/01/401887201.db2.gz KZFRHZMFHLNSOL-SNVBAGLBSA-N 0 0 315.347 2.067 10 30 DEEERN COC(=O)CN(CC#N)C(=O)c1sc(C2CCCC2)nc1C ZINC000080391445 401889925 /nfs/dbraw/zinc/88/99/25/401889925.db2.gz VTDQOUTUXZEOBY-UHFFFAOYSA-N 0 0 321.402 2.248 10 30 DEEERN CCOC[C@@H]1CCN(C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000081499546 401896704 /nfs/dbraw/zinc/89/67/04/401896704.db2.gz YOHGDMHVUXWULI-OAHLLOKOSA-N 0 0 317.389 2.005 10 30 DEEERN C=CCSCCNC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000134718708 401912034 /nfs/dbraw/zinc/91/20/34/401912034.db2.gz DOOMBXBVBINMEP-CQSZACIVSA-N 0 0 307.419 2.164 10 30 DEEERN C=C[C@](C)(CC)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000134905875 401919416 /nfs/dbraw/zinc/91/94/16/401919416.db2.gz FVCPZMJDMSDLJY-XHDPSFHLSA-N 0 0 310.419 2.114 10 30 DEEERN CN(C)c1ncccc1CNC(=O)N(C)Cc1cccc(C#N)c1 ZINC000046287660 401969118 /nfs/dbraw/zinc/96/91/18/401969118.db2.gz BBXRZZAJTBUTOI-UHFFFAOYSA-N 0 0 323.400 2.361 10 30 DEEERN N#Cc1ccc(SCC(=O)N[C@H]2CCCC[C@H]2CO)cc1 ZINC000151122054 402017796 /nfs/dbraw/zinc/01/77/96/402017796.db2.gz XSYRFPYMOBCIBC-ZFWWWQNUSA-N 0 0 304.415 2.318 10 30 DEEERN C=CCCS(=O)(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000121232314 402022426 /nfs/dbraw/zinc/02/24/26/402022426.db2.gz CBHZYEFPMOMOSV-UHFFFAOYSA-N 0 0 313.423 2.458 10 30 DEEERN C[C@@H](CC#N)N(C)C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000121250197 402023684 /nfs/dbraw/zinc/02/36/84/402023684.db2.gz ITWXGOLIOGLTPG-VIFPVBQESA-N 0 0 301.268 2.397 10 30 DEEERN C=C[C@@H](CC(=O)NC[C@@H](C)N1CCOCC1)c1ccccc1 ZINC000152077245 402073703 /nfs/dbraw/zinc/07/37/03/402073703.db2.gz UUXKEBBJJMPRLU-CVEARBPZSA-N 0 0 302.418 2.183 10 30 DEEERN C=C[C@@H](CC(=O)NC[C@H](C)N1CCOCC1)c1ccccc1 ZINC000152077178 402073766 /nfs/dbraw/zinc/07/37/66/402073766.db2.gz UUXKEBBJJMPRLU-HOTGVXAUSA-N 0 0 302.418 2.183 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000122447094 402078689 /nfs/dbraw/zinc/07/86/89/402078689.db2.gz SAWBOBXDKYEGPQ-UHFFFAOYSA-N 0 0 314.363 2.190 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C ZINC000122854300 402098268 /nfs/dbraw/zinc/09/82/68/402098268.db2.gz ADAKRAPBSIQHSN-UONOGXRCSA-N 0 0 313.401 2.386 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc(C)cc1C(=O)OC ZINC000153299616 402137961 /nfs/dbraw/zinc/13/79/61/402137961.db2.gz WFRVUNDCGKVCDR-UHFFFAOYSA-N 0 0 311.403 2.368 10 30 DEEERN Cc1ccc(I)c(C(=O)N(C)CC#N)c1 ZINC000101514952 402145327 /nfs/dbraw/zinc/14/53/27/402145327.db2.gz IQBKGRRHZGZUOL-UHFFFAOYSA-N 0 0 314.126 2.195 10 30 DEEERN C#Cc1cccc(N(C)CC(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000103146258 402179880 /nfs/dbraw/zinc/17/98/80/402179880.db2.gz OHOYMPWIWKQLFA-ROUUACIJSA-N 0 0 312.413 2.274 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000103280627 402183475 /nfs/dbraw/zinc/18/34/75/402183475.db2.gz GUZXDABFFBFJDQ-IUODEOHRSA-N 0 0 314.389 2.300 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000103280632 402183678 /nfs/dbraw/zinc/18/36/78/402183678.db2.gz GUZXDABFFBFJDQ-WFASDCNBSA-N 0 0 314.389 2.300 10 30 DEEERN N#Cc1cnc(N[C@H]2CCN(c3ccc(F)cc3F)C2)cn1 ZINC000124152704 402166431 /nfs/dbraw/zinc/16/64/31/402166431.db2.gz FPEXYXNZLQNTGP-NSHDSACASA-N 0 0 301.300 2.317 10 30 DEEERN C=CCN(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000153865465 402176307 /nfs/dbraw/zinc/17/63/07/402176307.db2.gz XRBNOCWEZLHMIC-KBPBESRZSA-N 0 0 318.421 2.023 10 30 DEEERN C#CCCCCNC(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000154956721 402239467 /nfs/dbraw/zinc/23/94/67/402239467.db2.gz ZFHZOGGENQSPBC-OAHLLOKOSA-N 0 0 311.389 2.305 10 30 DEEERN CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C#N)C1CC1 ZINC000108836094 402262410 /nfs/dbraw/zinc/26/24/10/402262410.db2.gz KOYITYFILJXUKI-AWEZNQCLSA-N 0 0 310.357 2.303 10 30 DEEERN Cc1ccc(NC(=O)CSCC(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000108838161 402262625 /nfs/dbraw/zinc/26/26/25/402262625.db2.gz ZETSHDQCSOYIQV-AWEZNQCLSA-N 0 0 317.414 2.085 10 30 DEEERN N#C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)C1CC1 ZINC000108842930 402262991 /nfs/dbraw/zinc/26/29/91/402262991.db2.gz CQIJWCJVELMIAS-AAEUAGOBSA-N 0 0 317.776 2.111 10 30 DEEERN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1cnc(C#N)cn1 ZINC000126204426 402269723 /nfs/dbraw/zinc/26/97/23/402269723.db2.gz YUHJKSBXRZUIFM-WIUDPPPLSA-N 0 0 300.387 2.283 10 30 DEEERN C=C(C)CNC(=O)NCc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000156485401 402283103 /nfs/dbraw/zinc/28/31/03/402283103.db2.gz RATDKRLJGUIZEP-UHFFFAOYSA-N 0 0 303.362 2.121 10 30 DEEERN CCC[C@@H](CCO)CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000176157332 402284391 /nfs/dbraw/zinc/28/43/91/402284391.db2.gz KUQOHHQMBVSHCS-KBPBESRZSA-N 0 0 304.390 2.240 10 30 DEEERN CCC1(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000184626083 402285540 /nfs/dbraw/zinc/28/55/40/402285540.db2.gz WNBKONUBHHLUQR-UHFFFAOYSA-N 0 0 310.361 2.451 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000184843858 402303557 /nfs/dbraw/zinc/30/35/57/402303557.db2.gz MMQZOMWBSLOKRV-SNVBAGLBSA-N 0 0 311.288 2.218 10 30 DEEERN N#Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)c[nH]1 ZINC000225552375 402320898 /nfs/dbraw/zinc/32/08/98/402320898.db2.gz BXPYSRFJYYSYQZ-DOMZBBRYSA-N 0 0 317.295 2.113 10 30 DEEERN COc1cc(C#N)ccc1S(=O)(=O)N(C)Cc1ccc(C)o1 ZINC000185394421 402349256 /nfs/dbraw/zinc/34/92/56/402349256.db2.gz AFXSEBITKAQKCV-UHFFFAOYSA-N 0 0 320.370 2.289 10 30 DEEERN COc1cc(C#N)ccc1S(=O)(=O)NCCc1ccsc1 ZINC000185442110 402352288 /nfs/dbraw/zinc/35/22/88/402352288.db2.gz PPOZRBHVQOZSTA-UHFFFAOYSA-N 0 0 322.411 2.149 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000185901217 402387438 /nfs/dbraw/zinc/38/74/38/402387438.db2.gz GCBLSFJJKHWJBT-MNOVXSKESA-N 0 0 310.375 2.129 10 30 DEEERN COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@H]1c1cnn(C)c1 ZINC000177046993 402363910 /nfs/dbraw/zinc/36/39/10/402363910.db2.gz MQCIGNNOVJPYCV-IRXDYDNUSA-N 0 0 324.384 2.343 10 30 DEEERN N#CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCCC1 ZINC000185644649 402367054 /nfs/dbraw/zinc/36/70/54/402367054.db2.gz VNFGGLFQVMXIKG-UHFFFAOYSA-N 0 0 315.376 2.161 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NC1CCN(C(=O)C(C)C)CC1 ZINC000161117330 402373586 /nfs/dbraw/zinc/37/35/86/402373586.db2.gz MKYJRQZFMXQTQQ-UHFFFAOYSA-N 0 0 313.401 2.244 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1cccc(OCC(=O)OC)c1 ZINC000185804997 402378461 /nfs/dbraw/zinc/37/84/61/402378461.db2.gz JVTAQWXWOUZANQ-ZDUSSCGKSA-N 0 0 305.374 2.457 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCNc1cc(Cl)ccc1OC ZINC000185818268 402379900 /nfs/dbraw/zinc/37/99/00/402379900.db2.gz ZYBLIOGHEXVLPJ-LBPRGKRZSA-N 0 0 312.797 2.204 10 30 DEEERN Cc1nc(C)n(C[C@H]2CCCN(c3nc(C)ccc3C#N)C2)n1 ZINC000161285079 402380764 /nfs/dbraw/zinc/38/07/64/402380764.db2.gz QMFUMSYGTXXSTM-HNNXBMFYSA-N 0 0 310.405 2.387 10 30 DEEERN COc1cccc(CNc2cnn(-c3ncccc3C#N)c2)c1O ZINC000185838188 402381648 /nfs/dbraw/zinc/38/16/48/402381648.db2.gz FCLBILZVNQNARS-UHFFFAOYSA-N 0 0 321.340 2.465 10 30 DEEERN C[C@@H](CNC(=O)c1cc(C#N)cn1C)N1CCc2ccccc21 ZINC000176684345 402328536 /nfs/dbraw/zinc/32/85/36/402328536.db2.gz LYEUBCOQASSYHL-ZDUSSCGKSA-N 0 0 308.385 2.078 10 30 DEEERN C#C[C@H](C)NC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000186031654 402397465 /nfs/dbraw/zinc/39/74/65/402397465.db2.gz NPKBXMUBPYJVIY-STQMWFEESA-N 0 0 321.371 2.250 10 30 DEEERN C#C[C@@H](C)NC(=O)N1CCC(CN2CCc3ccccc32)CC1 ZINC000186031923 402397649 /nfs/dbraw/zinc/39/76/49/402397649.db2.gz CTHYDDBLIDWPGY-OAHLLOKOSA-N 0 0 311.429 2.492 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000186041235 402398226 /nfs/dbraw/zinc/39/82/26/402398226.db2.gz ZGXKMXGOFJUQAB-UKRRQHHQSA-N 0 0 301.390 2.296 10 30 DEEERN N#C[C@H](NC(=O)[C@H](c1ccccc1)N1CCSCC1)C1CC1 ZINC000161829344 402400955 /nfs/dbraw/zinc/40/09/55/402400955.db2.gz XTLJWWOZARAXIF-HOTGVXAUSA-N 0 0 315.442 2.195 10 30 DEEERN N#C[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)C1CC1 ZINC000161856508 402401696 /nfs/dbraw/zinc/40/16/96/402401696.db2.gz LFUWUTARFIZAMZ-OLZOCXBDSA-N 0 0 317.414 2.161 10 30 DEEERN C#C[C@H](C)NC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000186120358 402403290 /nfs/dbraw/zinc/40/32/90/402403290.db2.gz BRBSRTQGTFRWRI-YNEHKIRRSA-N 0 0 309.410 2.001 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000186149966 402405432 /nfs/dbraw/zinc/40/54/32/402405432.db2.gz WYDHQZLXHGXIIK-CHWSQXEVSA-N 0 0 324.446 2.456 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000186345748 402423458 /nfs/dbraw/zinc/42/34/58/402423458.db2.gz RHEVUUMPULLHPB-WCQYABFASA-N 0 0 322.409 2.415 10 30 DEEERN C=CCOCCCC(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000162890710 402435069 /nfs/dbraw/zinc/43/50/69/402435069.db2.gz UIWJBQHNQDOSSQ-UHFFFAOYSA-N 0 0 314.389 2.113 10 30 DEEERN N#CCOc1ccccc1C(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000163351112 402447512 /nfs/dbraw/zinc/44/75/12/402447512.db2.gz NHHUJZBFZBTKJV-DZGCQCFKSA-N 0 0 300.358 2.230 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000186654669 402452170 /nfs/dbraw/zinc/45/21/70/402452170.db2.gz IRQDHTCUVYXREN-VIFPVBQESA-N 0 0 324.229 2.350 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000185926925 402390424 /nfs/dbraw/zinc/39/04/24/402390424.db2.gz PKOSXXDZRIIEOK-GHMZBOCLSA-N 0 0 318.381 2.270 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccccc1N1CCCCC1 ZINC000186759035 402462374 /nfs/dbraw/zinc/46/23/74/402462374.db2.gz YPQCCUIYEHVJEI-MRXNPFEDSA-N 0 0 317.433 2.413 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000186846558 402467336 /nfs/dbraw/zinc/46/73/36/402467336.db2.gz JHFMWMNISLPSTM-MRXNPFEDSA-N 0 0 322.430 2.152 10 30 DEEERN N#CCCn1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)n1 ZINC000187097315 402482424 /nfs/dbraw/zinc/48/24/24/402482424.db2.gz QDHNEARRMIKRDJ-UHFFFAOYSA-N 0 0 305.341 2.339 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000187140453 402484521 /nfs/dbraw/zinc/48/45/21/402484521.db2.gz RSOYQUQYCXMMTM-QLFBSQMISA-N 0 0 311.422 2.058 10 30 DEEERN C[C@@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)[C@H]1C ZINC000245877759 402493952 /nfs/dbraw/zinc/49/39/52/402493952.db2.gz JZXRJCNJLCZXJT-KGLIPLIRSA-N 0 0 306.431 2.452 10 30 DEEERN CC(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000169099838 402499876 /nfs/dbraw/zinc/49/98/76/402499876.db2.gz BKFQHOLNPZAQFW-LSDHHAIUSA-N 0 0 307.419 2.446 10 30 DEEERN Cc1cc(N2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)n[nH]1 ZINC000187512485 402503314 /nfs/dbraw/zinc/50/33/14/402503314.db2.gz AYPHRHMFNCSXOC-UHFFFAOYSA-N 0 0 324.388 2.138 10 30 DEEERN Cc1cc(N2CC[C@@H](Nc3cccc(C#N)c3C)C2=O)n(C)n1 ZINC000179055614 402568769 /nfs/dbraw/zinc/56/87/69/402568769.db2.gz PVWNBSPCDXUSGU-OAHLLOKOSA-N 0 0 309.373 2.126 10 30 DEEERN CO[C@@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[C@@H]1C ZINC000189277075 402533006 /nfs/dbraw/zinc/53/30/06/402533006.db2.gz MUKASRIMPFDKBW-JVLSTEMRSA-N 0 0 319.405 2.452 10 30 DEEERN N#CCSCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000170854685 402533204 /nfs/dbraw/zinc/53/32/04/402533204.db2.gz VPSNGVVGJKZHLB-GFCCVEGCSA-N 0 0 304.371 2.336 10 30 DEEERN C=C(C)CN(C)C(=O)c1cnn2cc(Br)cnc12 ZINC000180479862 402618013 /nfs/dbraw/zinc/61/80/13/402618013.db2.gz XUMQKQRKERGVHR-UHFFFAOYSA-N 0 0 309.167 2.140 10 30 DEEERN Cc1nc(C(=O)N2CCC(=O)Nc3ccccc32)ccc1C#N ZINC000172495666 402659158 /nfs/dbraw/zinc/65/91/58/402659158.db2.gz KLQVWBWGDQCNCB-UHFFFAOYSA-N 0 0 306.325 2.251 10 30 DEEERN CC(C)[C@H](C)CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000172507107 402659674 /nfs/dbraw/zinc/65/96/74/402659674.db2.gz YIFLPZDKWDRWFB-CQSZACIVSA-N 0 0 315.421 2.077 10 30 DEEERN C=C(C)CN(C)C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000181514373 402647664 /nfs/dbraw/zinc/64/76/64/402647664.db2.gz WMDRSSKXPFUIOM-HNNXBMFYSA-N 0 0 307.438 2.385 10 30 DEEERN C=CCC(CC=C)C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000181918197 402661007 /nfs/dbraw/zinc/66/10/07/402661007.db2.gz OAWVFJJXMNFHDZ-UHFFFAOYSA-N 0 0 317.433 2.350 10 30 DEEERN CCOc1cc(C=NN2CN=NC2=S)ccc1OC(F)F ZINC000254714399 402671296 /nfs/dbraw/zinc/67/12/96/402671296.db2.gz IVLKIDKVZMZZEF-UHFFFAOYSA-N 0 0 314.317 2.449 10 30 DEEERN COC(=O)CON=Cc1c(C)nn(-c2ccccc2)c1Cl ZINC000254836213 402671623 /nfs/dbraw/zinc/67/16/23/402671623.db2.gz QPCRVWRNGXLDSY-UHFFFAOYSA-N 0 0 307.737 2.358 10 30 DEEERN CC(C)(C)CCS(=O)(=O)NCCOc1ccc(C#N)cc1 ZINC000173538757 402702240 /nfs/dbraw/zinc/70/22/40/402702240.db2.gz UESGCJYXZPRMOI-UHFFFAOYSA-N 0 0 310.419 2.293 10 30 DEEERN C#CCCCNC(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000174121389 402727680 /nfs/dbraw/zinc/72/76/80/402727680.db2.gz FNPGQGPERPUOIQ-OAHLLOKOSA-N 0 0 315.417 2.377 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccc(NC(=O)CCC)cc1 ZINC000182962077 402729763 /nfs/dbraw/zinc/72/97/63/402729763.db2.gz GQZIUHOUEQENCS-OAHLLOKOSA-N 0 0 319.405 2.161 10 30 DEEERN COC(=O)CCCN(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000183013179 402732767 /nfs/dbraw/zinc/73/27/67/402732767.db2.gz ZCCGUZOPPHHRSG-UHFFFAOYSA-N 0 0 300.358 2.267 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C ZINC000183057984 402736056 /nfs/dbraw/zinc/73/60/56/402736056.db2.gz VOKTWGIEAROQNF-OLZOCXBDSA-N 0 0 322.405 2.309 10 30 DEEERN C[C@H]1CN(c2ccc(NC(=O)c3ccnc(C#N)c3)cc2)CCO1 ZINC000192696006 402745194 /nfs/dbraw/zinc/74/51/94/402745194.db2.gz XQQNTZCRJBUREG-ZDUSSCGKSA-N 0 0 322.368 2.431 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)CCc2ccccn2)cn1 ZINC000183684673 402788651 /nfs/dbraw/zinc/78/86/51/402788651.db2.gz FKHYRMHGYGYYHR-UHFFFAOYSA-N 0 0 318.340 2.105 10 30 DEEERN COCCC(C)(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183687724 402789331 /nfs/dbraw/zinc/78/93/31/402789331.db2.gz RBYYRZMOHWEPFV-UHFFFAOYSA-N 0 0 313.361 2.140 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@H](C)Cc1ccc(OC)cc1 ZINC000183802290 402798781 /nfs/dbraw/zinc/79/87/81/402798781.db2.gz AGZFFPKYOYWWCI-HIFRSBDPSA-N 0 0 306.406 2.110 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(OC)ccc1OC(F)F ZINC000183869679 402802327 /nfs/dbraw/zinc/80/23/27/402802327.db2.gz NOAYKARTJLIDBJ-SECBINFHSA-N 0 0 316.304 2.355 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000183904948 402804207 /nfs/dbraw/zinc/80/42/07/402804207.db2.gz DZLXQZDGBHNVCL-UPJWGTAASA-N 0 0 309.410 2.488 10 30 DEEERN COc1cccc(N2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)c1 ZINC000175521136 402813937 /nfs/dbraw/zinc/81/39/37/402813937.db2.gz ZJMGGTLFFOATGZ-CYBMUJFWSA-N 0 0 324.384 2.151 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(NC(=O)C2CC2)ccc1C ZINC000184050401 402813963 /nfs/dbraw/zinc/81/39/63/402813963.db2.gz UWYWUERJGAUMJX-AWEZNQCLSA-N 0 0 317.389 2.402 10 30 DEEERN COc1cccc(N2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)c1 ZINC000175521153 402813991 /nfs/dbraw/zinc/81/39/91/402813991.db2.gz ZJMGGTLFFOATGZ-ZDUSSCGKSA-N 0 0 324.384 2.151 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000183627975 402783143 /nfs/dbraw/zinc/78/31/43/402783143.db2.gz LDENECKLAMMHCB-DGCLKSJQSA-N 0 0 312.797 2.344 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000183635177 402783806 /nfs/dbraw/zinc/78/38/06/402783806.db2.gz KLAIYWBPJAHJQS-ZFWWWQNUSA-N 0 0 314.389 2.170 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)OCc1cn(-c2ccccc2)nn1 ZINC000278818395 402874124 /nfs/dbraw/zinc/87/41/24/402874124.db2.gz SWQHLVJYUJWWFC-HZPDHXFCSA-N 0 0 313.357 2.292 10 30 DEEERN C=CCCCN(C)C(=O)Cc1cccc(NS(C)(=O)=O)c1 ZINC000265577637 402930730 /nfs/dbraw/zinc/93/07/30/402930730.db2.gz FOPPDFJLISYNQN-UHFFFAOYSA-N 0 0 310.419 2.025 10 30 DEEERN C#CCOc1ccccc1CN(C)Cc1nc([C@@H](C)OC)no1 ZINC000267017825 403008495 /nfs/dbraw/zinc/00/84/95/403008495.db2.gz JNIWPBSDTLIKET-CYBMUJFWSA-N 0 0 315.373 2.421 10 30 DEEERN C=CCN1CC[C@H](Sc2ccc(C(F)(F)F)nn2)C1=O ZINC000280987892 403056136 /nfs/dbraw/zinc/05/61/36/403056136.db2.gz MHTXIEJABZJJKT-QMMMGPOBSA-N 0 0 303.309 2.374 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1O[C@@H]1CCN(CC=C)C1=O ZINC000281016085 403056860 /nfs/dbraw/zinc/05/68/60/403056860.db2.gz PBQZXIFVGMZFIC-OAHLLOKOSA-N 0 0 302.330 2.489 10 30 DEEERN C=CC[C@H](CC)NC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000281602128 403073782 /nfs/dbraw/zinc/07/37/82/403073782.db2.gz RXCBWEAPYRFDAK-GJZGRUSLSA-N 0 0 319.453 2.351 10 30 DEEERN C=CCn1c(CC(C)C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC000282745558 403159345 /nfs/dbraw/zinc/15/93/45/403159345.db2.gz YJRATVWLVWWXGU-CQSZACIVSA-N 0 0 314.437 2.390 10 30 DEEERN C#C[C@H](C)NC(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000282767511 403159467 /nfs/dbraw/zinc/15/94/67/403159467.db2.gz NUVPXXFIEYAMQF-ZDUSSCGKSA-N 0 0 315.392 2.384 10 30 DEEERN Cn1cncc1[C@H]1C[C@@H](NC(=O)C2(C#N)CCCCC2)CCO1 ZINC000276345368 403165802 /nfs/dbraw/zinc/16/58/02/403165802.db2.gz QUNUTSLHJLWRQO-DZGCQCFKSA-N 0 0 316.405 2.230 10 30 DEEERN C=CCCCN(C)c1nnc([C@@H]2COCCO2)n1CC(=C)C ZINC000283494848 403201789 /nfs/dbraw/zinc/20/17/89/403201789.db2.gz DFGZPGDBOHHWLL-AWEZNQCLSA-N 0 0 306.410 2.345 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CCO[C@H](c2nccs2)C1 ZINC000283531790 403204062 /nfs/dbraw/zinc/20/40/62/403204062.db2.gz GTKCYEXGZRGZKW-LBPRGKRZSA-N 0 0 305.407 2.197 10 30 DEEERN C#CC[C@]1(C(=O)N[C@@H](C#N)CC)CCCN1C(=O)OC(C)(C)C ZINC000277341212 403207601 /nfs/dbraw/zinc/20/76/01/403207601.db2.gz DOQMBPBAQHHTJZ-CXAGYDPISA-N 0 0 319.405 2.198 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCSc1ccccc1 ZINC000283681535 403214751 /nfs/dbraw/zinc/21/47/51/403214751.db2.gz ZUPXTNBOKYJXQF-UHFFFAOYSA-N 0 0 306.431 2.320 10 30 DEEERN COC[C@@H]1C[C@H](OC)CN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000284669820 403270253 /nfs/dbraw/zinc/27/02/53/403270253.db2.gz URGMJZMPFVIWHT-HOTGVXAUSA-N 0 0 314.385 2.118 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](COC)C1 ZINC000285219413 403279269 /nfs/dbraw/zinc/27/92/69/403279269.db2.gz FDZJZDTZXQJIEN-IRXDYDNUSA-N 0 0 300.402 2.299 10 30 DEEERN C=CCSCCNC(=O)C(=O)Nc1cc(C)c(OC)cc1C ZINC000278014841 403279507 /nfs/dbraw/zinc/27/95/07/403279507.db2.gz FTNJIUQGZVOUSK-UHFFFAOYSA-N 0 0 322.430 2.286 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NS(=O)(=O)N(C)CCCC ZINC000285315206 403280765 /nfs/dbraw/zinc/28/07/65/403280765.db2.gz MLEUILFTMUJJIB-MRXNPFEDSA-N 0 0 308.447 2.187 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Cc1c(C)nn(C)c1C ZINC000285718802 403364701 /nfs/dbraw/zinc/36/47/01/403364701.db2.gz IHXHCSYXBCLMRQ-QGZVFWFLSA-N 0 0 309.413 2.330 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)OCCOCC ZINC000287314843 403573333 /nfs/dbraw/zinc/57/33/33/403573333.db2.gz LYDZBCOWZAXDNH-DOTOQJQBSA-N 0 0 303.402 2.179 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)C1CN(CC(F)F)C1 ZINC000346214785 403580690 /nfs/dbraw/zinc/58/06/90/403580690.db2.gz KNMCWFWMFAVNDC-UHFFFAOYSA-N 0 0 324.371 2.407 10 30 DEEERN C=CCCCN(C)C(=O)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000346886886 403606536 /nfs/dbraw/zinc/60/65/36/403606536.db2.gz DIJPWWRPPLVMTJ-UHFFFAOYSA-N 0 0 310.357 2.214 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](CC)c1nnc2n1CCCCC2 ZINC000287747225 403659015 /nfs/dbraw/zinc/65/90/15/403659015.db2.gz LGPRJLFKXUGXJP-OAHLLOKOSA-N 0 0 312.417 2.235 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(N2CCOCC2)c(C)c1 ZINC000287782676 403666237 /nfs/dbraw/zinc/66/62/37/403666237.db2.gz KIJCHXUQOVOILP-UHFFFAOYSA-N 0 0 310.397 2.433 10 30 DEEERN C=CCO[C@@H]1CCN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1 ZINC000302156032 403709606 /nfs/dbraw/zinc/70/96/06/403709606.db2.gz MXNBJNYJTXRNDR-LLVKDONJSA-N 0 0 317.393 2.068 10 30 DEEERN C#CCO[C@H](C)C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000294310262 403699471 /nfs/dbraw/zinc/69/94/71/403699471.db2.gz GEIPQOUXHCCKFU-ZWNOBZJWSA-N 0 0 321.174 2.168 10 30 DEEERN COc1ccc([C@H](Nc2ccc(C#N)nn2)c2nccn2C)cc1 ZINC000301939597 403704203 /nfs/dbraw/zinc/70/42/03/403704203.db2.gz TWFAZQFRUGHRIM-INIZCTEOSA-N 0 0 320.356 2.292 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000288242787 403743195 /nfs/dbraw/zinc/74/31/95/403743195.db2.gz SJLXGQFHAVRDFZ-ZMSDIMECSA-N 0 0 300.402 2.440 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1nccn1C ZINC000288265171 403744233 /nfs/dbraw/zinc/74/42/33/403744233.db2.gz UMCVTVCENKQTDY-INIZCTEOSA-N 0 0 310.401 2.196 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)Cc1ccccc1N1CCOCC1 ZINC000289039133 403815406 /nfs/dbraw/zinc/81/54/06/403815406.db2.gz KAWUPGYAGAGIMY-UHFFFAOYSA-N 0 0 324.424 2.144 10 30 DEEERN C=CCN1CC[C@@H](n2c(C)nnc2-c2cccc(C#N)c2)C1=O ZINC000347801092 403877518 /nfs/dbraw/zinc/87/75/18/403877518.db2.gz UDNPJUYBUWVVEP-OAHLLOKOSA-N 0 0 307.357 2.085 10 30 DEEERN C=C(C)CN(C)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000351726163 403881296 /nfs/dbraw/zinc/88/12/96/403881296.db2.gz WGNMFRACKBZBDL-UHFFFAOYSA-N 0 0 317.433 2.236 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000362539599 403964429 /nfs/dbraw/zinc/96/44/29/403964429.db2.gz HKXHSAVOWDYTAW-ZFWWWQNUSA-N 0 0 320.345 2.201 10 30 DEEERN CC(C)[C@@H](C#N)NC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 ZINC000362057762 403922139 /nfs/dbraw/zinc/92/21/39/403922139.db2.gz OTBHAHWVIIJADW-QAPCUYQASA-N 0 0 313.401 2.346 10 30 DEEERN N#C[C@@H]1COCCN1C(=O)CCc1cccc(C(F)(F)F)c1 ZINC000362122325 403927815 /nfs/dbraw/zinc/92/78/15/403927815.db2.gz KFYCVDGSEPAIQG-CYBMUJFWSA-N 0 0 312.291 2.389 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N(C)CC(=O)NC(C)C ZINC000289664668 403991801 /nfs/dbraw/zinc/99/18/01/403991801.db2.gz MJQLBEJPSFWGCC-UHFFFAOYSA-N 0 0 307.442 2.014 10 30 DEEERN C=CCn1c(C)nnc1N1CCN(c2nc3ccccc3o2)CC1 ZINC000289708534 403993384 /nfs/dbraw/zinc/99/33/84/403993384.db2.gz OUHMNMYRZXGRCY-UHFFFAOYSA-N 0 0 324.388 2.240 10 30 DEEERN C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N2CCO[C@H](C#N)C2)o1 ZINC000362873309 403996748 /nfs/dbraw/zinc/99/67/48/403996748.db2.gz UBCDUVOOQBLHLI-RKQHYHRCSA-N 0 0 300.358 2.257 10 30 DEEERN C=CCn1c(CC2CC2)nnc1N1CCc2cc[nH]c(=O)c2C1 ZINC000289874976 404006067 /nfs/dbraw/zinc/00/60/67/404006067.db2.gz ZFQVHBPCLXHMSU-UHFFFAOYSA-N 0 0 311.389 2.080 10 30 DEEERN C=CCSc1ccccc1C(=O)NC[C@]1(CCO)CCOC1 ZINC000362931483 404010663 /nfs/dbraw/zinc/01/06/63/404010663.db2.gz RCHFRQTXBGWOCM-KRWDZBQOSA-N 0 0 321.442 2.484 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@H](C)CCc2ccc(C)o2)C1=O ZINC000348612316 404084879 /nfs/dbraw/zinc/08/48/79/404084879.db2.gz PPOPAKWBUHRHKA-RISCZKNCSA-N 0 0 306.362 2.032 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)[C@H](C)OCC3CC3)C2)n1 ZINC000328612350 404113883 /nfs/dbraw/zinc/11/38/83/404113883.db2.gz OMBWTTONRFKLBM-FZMZJTMJSA-N 0 0 320.393 2.080 10 30 DEEERN Cn1cncc1[C@@H]1C[C@H](NC(=O)NC(C2CC2)C2CC2)CCO1 ZINC000328624752 404116389 /nfs/dbraw/zinc/11/63/89/404116389.db2.gz KEBSAIQSDHPTMM-HIFRSBDPSA-N 0 0 318.421 2.332 10 30 DEEERN Cn1ccc(C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)cc1=O ZINC000328630264 404120310 /nfs/dbraw/zinc/12/03/10/404120310.db2.gz PRWJPLSNTRMGBP-GOEBONIOSA-N 0 0 313.357 2.005 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N(Cc2ccc(C3CC3)cc2F)C1=O ZINC000349125407 404126366 /nfs/dbraw/zinc/12/63/66/404126366.db2.gz KTZHJZLANXCBEJ-HNNXBMFYSA-N 0 0 318.348 2.326 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)C12CCC2 ZINC000328816608 404156203 /nfs/dbraw/zinc/15/62/03/404156203.db2.gz HBZPSBTUJUHNSN-LXTVHRRPSA-N 0 0 308.422 2.405 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCOC[C@@H]1C1CC1)CCC2 ZINC000328818959 404156508 /nfs/dbraw/zinc/15/65/08/404156508.db2.gz DSANXPHXQGXFNB-LSDHHAIUSA-N 0 0 318.421 2.094 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N(CC)C1CCCC1 ZINC000290538541 404211537 /nfs/dbraw/zinc/21/15/37/404211537.db2.gz XSJGUDXPPSTDPD-AWEZNQCLSA-N 0 0 306.410 2.321 10 30 DEEERN C#CCSCCNC(=O)N1CCC(c2nccc(C)n2)CC1 ZINC000363776419 404221980 /nfs/dbraw/zinc/22/19/80/404221980.db2.gz JGHIMZCVMTXZBL-UHFFFAOYSA-N 0 0 318.446 2.040 10 30 DEEERN C[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)C[C@H]1n1ccnc1 ZINC000328836489 404160391 /nfs/dbraw/zinc/16/03/91/404160391.db2.gz MVPUDQGQZMFIEM-DTZQCDIJSA-N 0 0 318.421 2.248 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(OCC(F)F)cc1 ZINC000349748040 404184191 /nfs/dbraw/zinc/18/41/91/404184191.db2.gz SCENLZBYBVTOSF-NSHDSACASA-N 0 0 300.305 2.389 10 30 DEEERN C=CCN(C(=O)COC(C)C)c1nc(C(=O)OCC)cs1 ZINC000355068740 404195641 /nfs/dbraw/zinc/19/56/41/404195641.db2.gz AROYKSWFLIIMCE-UHFFFAOYSA-N 0 0 312.391 2.264 10 30 DEEERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)[C@H]1CCCOC1 ZINC000329486619 404352075 /nfs/dbraw/zinc/35/20/75/404352075.db2.gz GIRNRXSTVPQUOI-GRYCIOLGSA-N 0 0 300.424 2.070 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CCC2(CCC2)C1 ZINC000329490154 404354432 /nfs/dbraw/zinc/35/44/32/404354432.db2.gz SKKBGADYHSEDRO-DZGCQCFKSA-N 0 0 318.421 2.288 10 30 DEEERN C=CCN(Cc1cc(OC)ccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000350630139 404427691 /nfs/dbraw/zinc/42/76/91/404427691.db2.gz WTAVQZLGGVUFNS-CYBMUJFWSA-N 0 0 313.394 2.009 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)C1CN(CC(F)(F)F)C1 ZINC000355808081 404368011 /nfs/dbraw/zinc/36/80/11/404368011.db2.gz HYDBJQZIDJAWQY-UHFFFAOYSA-N 0 0 316.323 2.331 10 30 DEEERN Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC3(CCC3)[C@@H]1C1CC1)CC2 ZINC000329624403 404398728 /nfs/dbraw/zinc/39/87/28/404398728.db2.gz SJHHOMIFZAACEM-HIFRSBDPSA-N 0 0 315.421 2.080 10 30 DEEERN C=CCNC(=O)c1cccc(-c2noc(-c3cc(C)n(C)n3)n2)c1 ZINC000356446341 404527630 /nfs/dbraw/zinc/52/76/30/404527630.db2.gz QJQVRAXHXBAVGH-UHFFFAOYSA-N 0 0 323.356 2.361 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N(C)[C@H]1CCOC1 ZINC000351175803 404525662 /nfs/dbraw/zinc/52/56/62/404525662.db2.gz ZBHGHLSTSWGZAI-ZDUSSCGKSA-N 0 0 302.378 2.067 10 30 DEEERN CCOc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000365242428 404582497 /nfs/dbraw/zinc/58/24/97/404582497.db2.gz VBFDQLDNIIMRCR-HNNXBMFYSA-N 0 0 314.389 2.289 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(c2cccc(N(C)C(C)=O)c2)C1=O ZINC000414362037 404592577 /nfs/dbraw/zinc/59/25/77/404592577.db2.gz UTAOAJOJJWZQRT-AWEZNQCLSA-N 0 0 301.346 2.060 10 30 DEEERN C=CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000342364064 404533694 /nfs/dbraw/zinc/53/36/94/404533694.db2.gz VWSLPERHBQGNQK-MJEQTWJJSA-N 0 0 316.401 2.295 10 30 DEEERN CC(C)n1ncc2c1C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1O)CC2 ZINC000330050592 404540447 /nfs/dbraw/zinc/54/04/47/404540447.db2.gz LZMWROHIAPTXOB-FMKPAKJESA-N 0 0 320.437 2.128 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000330130560 404560344 /nfs/dbraw/zinc/56/03/44/404560344.db2.gz KLAOMXUXOXPRGF-HJORKGSMSA-N 0 0 319.405 2.412 10 30 DEEERN N#Cc1cccc(-c2nnc(CN3CCO[C@@H](C4CC4)C3)o2)c1 ZINC000330137047 404561767 /nfs/dbraw/zinc/56/17/67/404561767.db2.gz NOBBEJANNKWPMD-OAHLLOKOSA-N 0 0 310.357 2.219 10 30 DEEERN C[C@H]1OCC[C@H]1NC(=O)N1CCC(Cc2cccnc2)CC1 ZINC000330270331 404609518 /nfs/dbraw/zinc/60/95/18/404609518.db2.gz TZCWCSLZROGEGH-CZUORRHYSA-N 0 0 303.406 2.428 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CNC(=O)CC1CCCC1 ZINC000357624762 404739667 /nfs/dbraw/zinc/73/96/67/404739667.db2.gz BUHXZGFHGRUUGK-UHFFFAOYSA-N 0 0 306.328 2.260 10 30 DEEERN C=C(C)[C@H](CC(=O)N1C[C@@H](CC)O[C@]2(CCOC2)C1)OCC ZINC000358202620 404756309 /nfs/dbraw/zinc/75/63/09/404756309.db2.gz CEJRWVCKWUXYMZ-HLLBOEOZSA-N 0 0 311.422 2.154 10 30 DEEERN C=CCN(CCOC)C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000358254074 404757062 /nfs/dbraw/zinc/75/70/62/404757062.db2.gz YDOHCTIKZFWHGE-UHFFFAOYSA-N 0 0 322.796 2.332 10 30 DEEERN CC1(C#N)CCN(C(=O)CCCc2nc(C3CC3)no2)CC1 ZINC000356986841 404723630 /nfs/dbraw/zinc/72/36/30/404723630.db2.gz ZSHZSNPCSJDEKF-UHFFFAOYSA-N 0 0 302.378 2.422 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000359245983 404788216 /nfs/dbraw/zinc/78/82/16/404788216.db2.gz BCZPRCFIELNUBW-LBPRGKRZSA-N 0 0 307.350 2.500 10 30 DEEERN N#CCC[C@H](NC(=O)NC[C@@H](CO)C1CC1)c1ccccc1 ZINC000359241966 404788286 /nfs/dbraw/zinc/78/82/86/404788286.db2.gz MOHYIXWPKDANBK-HOTGVXAUSA-N 0 0 301.390 2.349 10 30 DEEERN C=CCN(C)C(=O)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000359642216 404799662 /nfs/dbraw/zinc/79/96/62/404799662.db2.gz IWHDFHUPNMCSHW-UHFFFAOYSA-N 0 0 309.369 2.009 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000366869181 404861370 /nfs/dbraw/zinc/86/13/70/404861370.db2.gz DOCJKKHHIZMHCS-CYBMUJFWSA-N 0 0 318.352 2.285 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCS(=O)(=O)C1 ZINC000434541850 404910931 /nfs/dbraw/zinc/91/09/31/404910931.db2.gz XTPDIRKGJHYCCC-CQSZACIVSA-N 0 0 324.402 2.018 10 30 DEEERN N#Cc1ccnc(NC(=O)c2ccc3c(c2)NC(=O)CS3)c1 ZINC000435990303 405034947 /nfs/dbraw/zinc/03/49/47/405034947.db2.gz APMGYGAHMUBYRC-UHFFFAOYSA-N 0 0 310.338 2.250 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)CC(=C)C ZINC000435434599 404980677 /nfs/dbraw/zinc/98/06/77/404980677.db2.gz YQMKUIFQRVZDOD-UHFFFAOYSA-N 0 0 310.375 2.489 10 30 DEEERN N#Cc1cccc(C2(C(=O)NC[C@H](CO)c3ccccc3)CC2)c1 ZINC000435580634 404991289 /nfs/dbraw/zinc/99/12/89/404991289.db2.gz RQBOVEWRWVNSQS-QGZVFWFLSA-N 0 0 320.392 2.482 10 30 DEEERN N#Cc1ccccc1CN1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408036557 405094879 /nfs/dbraw/zinc/09/48/79/405094879.db2.gz UUSJIMOGQQFSSA-KSZLIROESA-N 0 0 300.402 2.310 10 30 DEEERN CC(=O)N1CCN(CCNc2cccc(C(F)F)c2C#N)CC1 ZINC000568334771 292331768 /nfs/dbraw/zinc/33/17/68/292331768.db2.gz GAQUSYRFLVHIME-UHFFFAOYSA-N 0 0 322.359 2.072 10 30 DEEERN C[C@@H]1C[C@H](C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC(=O)N1 ZINC000408200745 405136723 /nfs/dbraw/zinc/13/67/23/405136723.db2.gz DYZYLUFQWBFYEH-DYVFJYSZSA-N 0 0 323.396 2.089 10 30 DEEERN C=CCCn1cc(C(=O)N[C@@H](C)Cc2cccc(OC)c2)nn1 ZINC000424662032 405141922 /nfs/dbraw/zinc/14/19/22/405141922.db2.gz XCVQTVNGQWKUGS-ZDUSSCGKSA-N 0 0 314.389 2.224 10 30 DEEERN C=CCC1(C(=O)N[C@H]2c3ccccc3C[C@H]2O)CCOCC1 ZINC000424736354 405163010 /nfs/dbraw/zinc/16/30/10/405163010.db2.gz KCAURIPNSUGJQF-CVEARBPZSA-N 0 0 301.386 2.134 10 30 DEEERN C=CCOCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000367932822 405195744 /nfs/dbraw/zinc/19/57/44/405195744.db2.gz URRCOBITSBREBI-GFCCVEGCSA-N 0 0 322.792 2.012 10 30 DEEERN C=CCC1(C(=O)N[C@@H](CO)c2ccc(F)cc2)CCOCC1 ZINC000424858815 405198091 /nfs/dbraw/zinc/19/80/91/405198091.db2.gz ZDMVFUKKNZVDBK-HNNXBMFYSA-N 0 0 307.365 2.348 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccnn1CC ZINC000416636520 405203382 /nfs/dbraw/zinc/20/33/82/405203382.db2.gz RWUDELMJNQGQTM-HNNXBMFYSA-N 0 0 319.430 2.369 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cn(CC)cn1 ZINC000416634464 405203420 /nfs/dbraw/zinc/20/34/20/405203420.db2.gz NYKGQJKTZKVWOA-OAHLLOKOSA-N 0 0 319.430 2.369 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1[nH]c(C)c(C(=O)OCC)c1C ZINC000424898818 405208312 /nfs/dbraw/zinc/20/83/12/405208312.db2.gz BMWPQBHRBAEACE-STQMWFEESA-N 0 0 320.389 2.129 10 30 DEEERN C[C@H]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1O ZINC000408455826 405211073 /nfs/dbraw/zinc/21/10/73/405211073.db2.gz FPBDLTZDCJPMJW-CABZTGNLSA-N 0 0 323.190 2.164 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CC[S@](=O)C(C)(C)CC1 ZINC000408466727 405213638 /nfs/dbraw/zinc/21/36/38/405213638.db2.gz MUXNXJQFHHMBFA-NRFANRHFSA-N 0 0 304.415 2.240 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C12CCC(C(=O)OC)(CC1)CC2 ZINC000424925748 405213925 /nfs/dbraw/zinc/21/39/25/405213925.db2.gz PYYYHMBINOEQFI-DIOPXHOYSA-N 0 0 321.417 2.207 10 30 DEEERN C=CCn1cc(CNC(=O)N[C@H](C)CCc2ccc(C)o2)nn1 ZINC000425438621 405290697 /nfs/dbraw/zinc/29/06/97/405290697.db2.gz AHDYGZZUPAXCFC-GFCCVEGCSA-N 0 0 317.393 2.186 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCN(C)c1ccccc1 ZINC000425397724 405285516 /nfs/dbraw/zinc/28/55/16/405285516.db2.gz MNZBWZKNTFFHLU-RDJZCZTQSA-N 0 0 317.433 2.403 10 30 DEEERN C=C(C)CCNC(=O)CN1CCc2cc(OC)c(OC)cc2C1 ZINC000452718066 405232950 /nfs/dbraw/zinc/23/29/50/405232950.db2.gz NZJYCGVPVYZGFA-UHFFFAOYSA-N 0 0 318.417 2.144 10 30 DEEERN C=CCn1cc(CNS(=O)(=O)c2cccc(C(C)C)c2)nn1 ZINC000425181246 405254553 /nfs/dbraw/zinc/25/45/53/405254553.db2.gz VTWWCMDJINYNHU-UHFFFAOYSA-N 0 0 320.418 2.066 10 30 DEEERN C=CCC1(C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)CCOCC1 ZINC000425543176 405300471 /nfs/dbraw/zinc/30/04/71/405300471.db2.gz AZBBYUKXYDEMAJ-OWCLPIDISA-N 0 0 323.433 2.154 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1ccccc1N(C)C ZINC000425568779 405303935 /nfs/dbraw/zinc/30/39/35/405303935.db2.gz XJDMGQJALKTMGW-YOEHRIQHSA-N 0 0 317.433 2.485 10 30 DEEERN C=CCSCCNC(=O)N[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000446520394 405383568 /nfs/dbraw/zinc/38/35/68/405383568.db2.gz YACCGSHMVSJGQB-CYBMUJFWSA-N 0 0 317.418 2.113 10 30 DEEERN Cn1c(C#N)ccc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000448629562 405429448 /nfs/dbraw/zinc/42/94/48/405429448.db2.gz IHQZXLACNNEJKG-UHFFFAOYSA-N 0 0 322.368 2.385 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000455638081 405438325 /nfs/dbraw/zinc/43/83/25/405438325.db2.gz NCCRMBXNRUICOO-DTWKUNHWSA-N 0 0 323.340 2.230 10 30 DEEERN COCCOc1ccc(NC(=O)c2ccc(C#N)n2C)cc1F ZINC000448781817 405447765 /nfs/dbraw/zinc/44/77/65/405447765.db2.gz KHRNTEHVPLUHFH-UHFFFAOYSA-N 0 0 317.320 2.313 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000448880828 405458673 /nfs/dbraw/zinc/45/86/73/405458673.db2.gz GIXUVJKTTJDLPE-INIZCTEOSA-N 0 0 313.332 2.250 10 30 DEEERN CCOc1ccc(Cl)c(NC(=O)[C@@H](C)n2cnc(C#N)n2)c1 ZINC000456035544 405477387 /nfs/dbraw/zinc/47/73/87/405477387.db2.gz ASRWMPQRAGOYTL-SECBINFHSA-N 0 0 319.752 2.402 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1sc([C@H]2CCCOC2)nc1C ZINC000456772481 405559013 /nfs/dbraw/zinc/55/90/13/405559013.db2.gz WXHUCDGYWVXKIK-QWHCGFSZSA-N 0 0 324.446 2.402 10 30 DEEERN C[C@@H](NC(=O)NCC1CCC(C#N)CC1)c1cc[nH]c(=O)c1 ZINC000458726938 405560309 /nfs/dbraw/zinc/56/03/09/405560309.db2.gz HYHAFVHXTDTXFI-PNESKVBLSA-N 0 0 302.378 2.477 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000635796512 405513081 /nfs/dbraw/zinc/51/30/81/405513081.db2.gz MDHVOILTZUGBLA-ZCFIWIBFSA-N 0 0 307.152 2.382 10 30 DEEERN C=C1CCN(S(=O)(=O)C[C@H](OC)c2ccc(F)cc2)CC1 ZINC000528326113 405566396 /nfs/dbraw/zinc/56/63/96/405566396.db2.gz OLSQJQRMBTXMLS-HNNXBMFYSA-N 0 0 313.394 2.495 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)COc1ccc(C(=O)CC)cc1 ZINC000456759297 405552556 /nfs/dbraw/zinc/55/25/56/405552556.db2.gz REFQQGCFYGBSCI-AWEZNQCLSA-N 0 0 305.374 2.101 10 30 DEEERN C=C1CC(C)(C(=O)N2CCN(C(=O)c3cscn3)[C@@H](C)C2)C1 ZINC000633380359 405609124 /nfs/dbraw/zinc/60/91/24/405609124.db2.gz XCOKHFVIDFIUQM-LBPRGKRZSA-N 0 0 319.430 2.172 10 30 DEEERN C=C(CC)CNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C ZINC000456829263 405581470 /nfs/dbraw/zinc/58/14/70/405581470.db2.gz NYWKEUSHYYTMED-UHFFFAOYSA-N 0 0 300.362 2.247 10 30 DEEERN C=CCOCCCNC(=O)N[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000633354369 405589407 /nfs/dbraw/zinc/58/94/07/405589407.db2.gz RQFPTBTZUIUQSI-NSHDSACASA-N 0 0 319.361 2.486 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCCNC(=O)c1cccnc1 ZINC000633423019 405636619 /nfs/dbraw/zinc/63/66/19/405636619.db2.gz QZQWDSFQENCSFC-UHFFFAOYSA-N 0 0 318.421 2.103 10 30 DEEERN C=C1CC(C)(C(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)C1 ZINC000633617372 405747451 /nfs/dbraw/zinc/74/74/51/405747451.db2.gz NJFFJKBSWLUTPT-ZDUSSCGKSA-N 0 0 314.385 2.273 10 30 DEEERN C=CCCc1ccccc1NC(=O)NC[C@H](O)[C@H]1CCCO1 ZINC000529089255 405748916 /nfs/dbraw/zinc/74/89/16/405748916.db2.gz GORRAJOZELUGFI-JKSUJKDBSA-N 0 0 304.390 2.467 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CCSC[C@H]2CCO)cc1 ZINC000450226031 405787666 /nfs/dbraw/zinc/78/76/66/405787666.db2.gz CSHJYUWZCPFCRJ-OAHLLOKOSA-N 0 0 321.442 2.120 10 30 DEEERN CC(C)(CC#N)CNC(=O)N1CCN(c2ccccc2)CC1 ZINC000459225763 405806925 /nfs/dbraw/zinc/80/69/25/405806925.db2.gz CXKOWLQTJYUDIO-UHFFFAOYSA-N 0 0 300.406 2.458 10 30 DEEERN C=C[C@H](O)C(=O)N1CCc2cc(C)cc(Br)c2C1 ZINC000633732518 405813537 /nfs/dbraw/zinc/81/35/37/405813537.db2.gz IIJVHVDSGAXJGX-ZDUSSCGKSA-N 0 0 310.191 2.189 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NC1(c2ccc3c(c2)OCO3)CC1 ZINC000450170923 405766267 /nfs/dbraw/zinc/76/62/67/405766267.db2.gz GFEUOLIRRUPNDK-UHFFFAOYSA-N 0 0 309.325 2.045 10 30 DEEERN C=CCC[C@H](O)CN[C@H](C)c1ncc(Br)cn1 ZINC000433007159 405849032 /nfs/dbraw/zinc/84/90/32/405849032.db2.gz JXFGJYDUDOZEEY-KOLCDFICSA-N 0 0 300.200 2.217 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1cnc2n(c1=O)CCS2 ZINC000633963087 405931773 /nfs/dbraw/zinc/93/17/73/405931773.db2.gz DYQHJONPLVDYJA-UHFFFAOYSA-N 0 0 307.419 2.071 10 30 DEEERN C=CCCC(C)(C)CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000633964567 405933475 /nfs/dbraw/zinc/93/34/75/405933475.db2.gz DWPPHOGWFSSMIS-GFCCVEGCSA-N 0 0 318.483 2.059 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1ccc(S(N)(=O)=O)c(C)c1 ZINC000633964979 405933721 /nfs/dbraw/zinc/93/37/21/405933721.db2.gz UVCMJBWXYDADHA-UHFFFAOYSA-N 0 0 324.446 2.365 10 30 DEEERN C=CCCC(C)(C)CNC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O ZINC000633964515 405933848 /nfs/dbraw/zinc/93/38/48/405933848.db2.gz CIAWNRIFQYSZCG-SFHVURJKSA-N 0 0 320.433 2.016 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000450575009 405960834 /nfs/dbraw/zinc/96/08/34/405960834.db2.gz DRSVLSMEMPKZBH-SFHVURJKSA-N 0 0 323.396 2.310 10 30 DEEERN COc1ccccc1OCCNC(=O)Cc1cccc(C#N)c1 ZINC000531155001 405917161 /nfs/dbraw/zinc/91/71/61/405917161.db2.gz CQFLHOIZZCFYTN-UHFFFAOYSA-N 0 0 310.353 2.305 10 30 DEEERN C=CCNC(=O)NC(=O)CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433309016 405918395 /nfs/dbraw/zinc/91/83/95/405918395.db2.gz ZRLSSWBDXOJLTK-ZDUSSCGKSA-N 0 0 321.808 2.141 10 30 DEEERN CCOC(=O)[C@@](C)(CNc1ccncc1C#N)c1ccccc1 ZINC000561337518 405921902 /nfs/dbraw/zinc/92/19/02/405921902.db2.gz GMBIJUBNRDQOOU-SFHVURJKSA-N 0 0 309.369 2.308 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000434042602 406013778 /nfs/dbraw/zinc/01/37/78/406013778.db2.gz PMWLONNCFTZXRY-GRYCIOLGSA-N 0 0 309.328 2.129 10 30 DEEERN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)CSCC#N)C1 ZINC000531869254 406017504 /nfs/dbraw/zinc/01/75/04/406017504.db2.gz AMYQNHHOWRCDEU-GFCCVEGCSA-N 0 0 312.435 2.214 10 30 DEEERN C=CCOc1ccc(CN[C@@H](CO)c2ccnn2C)cc1Cl ZINC000459727010 406020827 /nfs/dbraw/zinc/02/08/27/406020827.db2.gz YGFHCWOBHOGPEJ-AWEZNQCLSA-N 0 0 321.808 2.462 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)C1CCC(C)CC1 ZINC000632301199 406084019 /nfs/dbraw/zinc/08/40/19/406084019.db2.gz PQOMULQBEOFDSX-OOJKYFRXSA-N 0 0 301.452 2.466 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000565889101 406084079 /nfs/dbraw/zinc/08/40/79/406084079.db2.gz YALPROUAKNHJOH-WFASDCNBSA-N 0 0 306.337 2.105 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCC[C@@H]1CCCCO1 ZINC000636810437 406087573 /nfs/dbraw/zinc/08/75/73/406087573.db2.gz DQPNJFNTJKYVFE-AWEZNQCLSA-N 0 0 310.438 2.170 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCC[C@H]1CCO[C@H](C)C1 ZINC000636810784 406087638 /nfs/dbraw/zinc/08/76/38/406087638.db2.gz LUWPZYHXLIKEQF-KGLIPLIRSA-N 0 0 310.438 2.026 10 30 DEEERN C=CCCCCCNC(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000566434380 406089132 /nfs/dbraw/zinc/08/91/32/406089132.db2.gz UGGNQCIKLSSTFN-UHFFFAOYSA-N 0 0 307.316 2.106 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000636817482 406090324 /nfs/dbraw/zinc/09/03/24/406090324.db2.gz UZZVRCIMMBWERN-KGLIPLIRSA-N 0 0 324.465 2.415 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@@H]1CCC[C@H]1OC ZINC000636653687 406044143 /nfs/dbraw/zinc/04/41/43/406044143.db2.gz GLTMKKCDMGYNDR-UONOGXRCSA-N 0 0 310.438 2.026 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1CCc2c1cccc2O ZINC000636660667 406045148 /nfs/dbraw/zinc/04/51/48/406045148.db2.gz YDGDCAZJSUWPEN-AWEZNQCLSA-N 0 0 316.401 2.214 10 30 DEEERN C=CCn1c(C2CCCC2)nnc1N(CCOC)[C@@H]1CCOC1 ZINC000562906474 406056447 /nfs/dbraw/zinc/05/64/47/406056447.db2.gz RRTLCZAFJINOPU-OAHLLOKOSA-N 0 0 320.437 2.363 10 30 DEEERN C=CCn1c(-c2ncccc2C)nnc1N1CC[C@H](COC)C1 ZINC000563404954 406060086 /nfs/dbraw/zinc/06/00/86/406060086.db2.gz HLXNSYDYBYYGDN-AWEZNQCLSA-N 0 0 313.405 2.307 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(CCOC)Cc1cccs1 ZINC000459870033 406063273 /nfs/dbraw/zinc/06/32/73/406063273.db2.gz QCNKQGSGVQIFMU-UHFFFAOYSA-N 0 0 324.446 2.148 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](COC)c1ccco1 ZINC000636728118 406064334 /nfs/dbraw/zinc/06/43/34/406064334.db2.gz QPQZKJXEBZHARR-CYBMUJFWSA-N 0 0 322.405 2.192 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C ZINC000564858362 406066309 /nfs/dbraw/zinc/06/63/09/406066309.db2.gz FWFKKOUAGKCWLU-ZNMIVQPWSA-N 0 0 322.449 2.121 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCC1CCC(OC)CC1 ZINC000636735758 406067208 /nfs/dbraw/zinc/06/72/08/406067208.db2.gz CRUXCDUNSQOTLJ-UHFFFAOYSA-N 0 0 310.438 2.026 10 30 DEEERN C=CCCCCCNC(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000565221758 406071330 /nfs/dbraw/zinc/07/13/30/406071330.db2.gz LSGRZFRWRATSTH-MRXNPFEDSA-N 0 0 302.422 2.484 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1cc(CC)ccn1 ZINC000636762985 406074867 /nfs/dbraw/zinc/07/48/67/406074867.db2.gz BBEDBZUQMKZWEZ-UHFFFAOYSA-N 0 0 317.433 2.369 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000636772091 406077204 /nfs/dbraw/zinc/07/72/04/406077204.db2.gz SWAUFZYHNCJBQL-MJBXVCDLSA-N 0 0 322.449 2.025 10 30 DEEERN C=C(C)CN(C)C(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000479254105 406161140 /nfs/dbraw/zinc/16/11/40/406161140.db2.gz WOYBHUISFBOJNE-ZDUSSCGKSA-N 0 0 324.446 2.075 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1ncon1 ZINC000479582963 406168479 /nfs/dbraw/zinc/16/84/79/406168479.db2.gz LFDXLYWLGFKIRL-FZMZJTMJSA-N 0 0 314.345 2.222 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc2c(c1O)OC(C)(C)C2 ZINC000518965829 406168813 /nfs/dbraw/zinc/16/88/13/406168813.db2.gz WMMMLSGZDHZNJX-JSGCOSHPSA-N 0 0 317.385 2.427 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1ccc(C)c(C)n1 ZINC000636956771 406133628 /nfs/dbraw/zinc/13/36/28/406133628.db2.gz UDECVXQYVFJXND-UHFFFAOYSA-N 0 0 317.433 2.423 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)C1(OC)CCC1 ZINC000636967018 406136098 /nfs/dbraw/zinc/13/60/98/406136098.db2.gz WZKRZJSJQWRMIF-CYBMUJFWSA-N 0 0 310.438 2.169 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NC[C@H](OC)C1CCCC1 ZINC000637022726 406153322 /nfs/dbraw/zinc/15/33/22/406153322.db2.gz ILFDOCVWXDIRBF-AWEZNQCLSA-N 0 0 310.438 2.026 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000637025535 406154104 /nfs/dbraw/zinc/15/41/04/406154104.db2.gz YYQBGFYSLQOTMM-MCIONIFRSA-N 0 0 314.451 2.092 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000637031520 406155687 /nfs/dbraw/zinc/15/56/87/406155687.db2.gz QJJSNKJDZQQUCR-CYBMUJFWSA-N 0 0 307.438 2.289 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000637031521 406155857 /nfs/dbraw/zinc/15/58/57/406155857.db2.gz QJJSNKJDZQQUCR-ZDUSSCGKSA-N 0 0 307.438 2.289 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c[nH]c(=O)s1 ZINC000632544283 406176962 /nfs/dbraw/zinc/17/69/62/406176962.db2.gz BFKALXYCMUIWRS-NXEZZACHSA-N 0 0 302.421 2.262 10 30 DEEERN C=CCCC(C)(C)CNS(=O)(=O)c1c(Cl)cnn1C ZINC000632641274 406209414 /nfs/dbraw/zinc/20/94/14/406209414.db2.gz ZORPVZLUUAQBAS-UHFFFAOYSA-N 0 0 305.831 2.344 10 30 DEEERN C=CCCC(C)(C)CNS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000632642382 406210403 /nfs/dbraw/zinc/21/04/03/406210403.db2.gz WSZZNCXRMICRMV-UHFFFAOYSA-N 0 0 324.446 2.317 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@H](C(C)C)C1 ZINC000568834661 406221671 /nfs/dbraw/zinc/22/16/71/406221671.db2.gz SHZRAMMGHUGNRC-ZDUSSCGKSA-N 0 0 315.425 2.050 10 30 DEEERN C=CCCCCCNC(=O)c1ccn(CCn2cccn2)n1 ZINC000568898125 406222531 /nfs/dbraw/zinc/22/25/31/406222531.db2.gz IRJVYVCYAOARCX-UHFFFAOYSA-N 0 0 301.394 2.256 10 30 DEEERN C=CCCCNC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000569313098 406235648 /nfs/dbraw/zinc/23/56/48/406235648.db2.gz QVIPHUBRQSXONR-UHFFFAOYSA-N 0 0 303.410 2.085 10 30 DEEERN C=CCCOCCNC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000536060589 406248436 /nfs/dbraw/zinc/24/84/36/406248436.db2.gz DQWOLDUJEQQLOV-UHFFFAOYSA-N 0 0 320.364 2.253 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000637284493 406243655 /nfs/dbraw/zinc/24/36/55/406243655.db2.gz HTHWSLCHINIEAF-UONOGXRCSA-N 0 0 307.438 2.241 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000637321047 406257429 /nfs/dbraw/zinc/25/74/29/406257429.db2.gz DCJDPYBWFOLVRP-KBPBESRZSA-N 0 0 307.438 2.289 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000637324649 406258852 /nfs/dbraw/zinc/25/88/52/406258852.db2.gz XMZONXXKSDDUNS-KFWWJZLASA-N 0 0 310.438 2.160 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000637325091 406259532 /nfs/dbraw/zinc/25/95/32/406259532.db2.gz OSHKCTORSFDZNQ-CQSZACIVSA-N 0 0 307.438 2.243 10 30 DEEERN C=CC[C@H](C(=O)NCC(=O)NCc1ccco1)c1ccccc1 ZINC000487737450 406260176 /nfs/dbraw/zinc/26/01/76/406260176.db2.gz FFDRNKSVFGLDOA-INIZCTEOSA-N 0 0 312.369 2.372 10 30 DEEERN C=C1CC(C)(C(=O)N(C)C2CCN(c3cnccn3)CC2)C1 ZINC000632793828 406265190 /nfs/dbraw/zinc/26/51/90/406265190.db2.gz XUFQNMUFQFZZLH-UHFFFAOYSA-N 0 0 300.406 2.260 10 30 DEEERN C[C@@H](CCO)C1(CNC(=O)Cc2cccc(C#N)c2)CCC1 ZINC000537209598 406284793 /nfs/dbraw/zinc/28/47/93/406284793.db2.gz ZXNRCQZYDXDZHM-AWEZNQCLSA-N 0 0 300.402 2.406 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1[nH]ncc1C(F)(F)F ZINC000632841053 406285773 /nfs/dbraw/zinc/28/57/73/406285773.db2.gz ROXTWNMVPXADFD-KWQFWETISA-N 0 0 303.284 2.140 10 30 DEEERN CCCN1Cc2cccc(NC(=O)[C@@H](C)n3cnc(C#N)n3)c2C1 ZINC000545971546 406339791 /nfs/dbraw/zinc/33/97/91/406339791.db2.gz QRJHVMVROQHSHG-GFCCVEGCSA-N 0 0 324.388 2.075 10 30 DEEERN C=CC[C@H](C)NC(=O)N1CCc2nnn(C3CC(C)C3)c2C1 ZINC000633019367 406355587 /nfs/dbraw/zinc/35/55/87/406355587.db2.gz DTVVGOBBFYTLTE-CPCZMJQVSA-N 0 0 303.410 2.281 10 30 DEEERN O=C(NCC#Cc1ccccc1)NC[C@@H](CO)c1ccccc1 ZINC000489396575 406401638 /nfs/dbraw/zinc/40/16/38/406401638.db2.gz WLMGRIJXVMHUFI-SFHVURJKSA-N 0 0 308.381 2.113 10 30 DEEERN C=CCCOCCNC(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000489614868 406421650 /nfs/dbraw/zinc/42/16/50/406421650.db2.gz XAGCWHJQEOSLPD-UHFFFAOYSA-N 0 0 315.373 2.253 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000637621119 406367932 /nfs/dbraw/zinc/36/79/32/406367932.db2.gz LWFQKVWPDUKJJB-CYBMUJFWSA-N 0 0 316.467 2.197 10 30 DEEERN C=CCN(CCC#N)S(=O)(=O)c1ccc2ncsc2c1 ZINC000490076073 406450863 /nfs/dbraw/zinc/45/08/63/406450863.db2.gz ZNTMSNWJKUIFMP-UHFFFAOYSA-N 0 0 307.400 2.387 10 30 DEEERN C=CCn1c(C2CCCC2)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000571688201 406552737 /nfs/dbraw/zinc/55/27/37/406552737.db2.gz HSOZLMAGLRUOGR-OCCSQVGLSA-N 0 0 317.437 2.212 10 30 DEEERN Cc1ccc(CNc2ccncc2C#N)c(O[C@@H]2CCOC2)c1 ZINC000548490647 406522479 /nfs/dbraw/zinc/52/24/79/406522479.db2.gz JZAYYGMZVMXFHK-MRXNPFEDSA-N 0 0 309.369 2.463 10 30 DEEERN C=C[C@@H](C)NC(=O)[C@@H]1C[C@@]1(C(=O)N[C@@H](C)C=C)c1ccccc1 ZINC000635672863 406668468 /nfs/dbraw/zinc/66/84/68/406668468.db2.gz AIUPMQFKHWFCHF-PGSNGQOISA-N 0 0 312.413 2.326 10 30 DEEERN C=CCC[C@@H](NC(=O)[C@@H]1CCc2cccc(O)c21)C(=O)OCC ZINC000574771681 406786237 /nfs/dbraw/zinc/78/62/37/406786237.db2.gz FRFMXRMDLVFUOH-ZIAGYGMSSA-N 0 0 317.385 2.436 10 30 DEEERN N#Cc1cc(O)cc(OC(F)F)c1I ZINC000575661834 406817252 /nfs/dbraw/zinc/81/72/52/406817252.db2.gz NAJYPOLEUZBQKG-UHFFFAOYSA-N 0 0 311.025 2.470 10 30 DEEERN N#CCc1cc(I)cc([N+](=O)[O-])c1F ZINC000575707189 406821318 /nfs/dbraw/zinc/82/13/18/406821318.db2.gz OSWPWEFLFRHLQO-UHFFFAOYSA-N 0 0 306.034 2.405 10 30 DEEERN C=CC1CCN(c2nnc([C@H]3COCCO3)n2CC(=C)C)CC1 ZINC000555255732 406838279 /nfs/dbraw/zinc/83/82/79/406838279.db2.gz NCUSSIVJSQPSPD-OAHLLOKOSA-N 0 0 318.421 2.345 10 30 DEEERN O=C(NCC(F)(F)F)c1ccc(C#CCCO)c(Cl)c1 ZINC000128608835 195978035 /nfs/dbraw/zinc/97/80/35/195978035.db2.gz NBBBAQJEAKUHHN-UHFFFAOYSA-N 0 0 305.683 2.366 10 30 DEEERN Cc1cc(C#CCO)cc(C(=O)NC[C@@H]2CCCCS2)c1 ZINC000131685970 196191141 /nfs/dbraw/zinc/19/11/41/196191141.db2.gz CISYGQWGIMNPAM-INIZCTEOSA-N 0 0 303.427 2.354 10 30 DEEERN CC(C)n1c(Sc2cc(C#N)ccc2[C@@H](C)O)n[nH]c1=O ZINC000131738156 196195353 /nfs/dbraw/zinc/19/53/53/196195353.db2.gz PCYNGGDOCSPAJP-SECBINFHSA-N 0 0 304.375 2.228 10 30 DEEERN CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N(C)[C@@H](C)CC#N ZINC000131969199 196214557 /nfs/dbraw/zinc/21/45/57/196214557.db2.gz QKCJSRPQWCAAMF-NSHDSACASA-N 0 0 321.352 2.312 10 30 DEEERN C=CCN(CCO)c1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000135915874 196508531 /nfs/dbraw/zinc/50/85/31/196508531.db2.gz HEDWXEPCALJNRE-UHFFFAOYSA-N 0 0 319.130 2.481 10 30 DEEERN N#Cc1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)cc1O ZINC000188242913 225014497 /nfs/dbraw/zinc/01/44/97/225014497.db2.gz PJEWMKGDAZUEGR-UHFFFAOYSA-N 0 0 318.336 2.380 10 30 DEEERN Cc1ccc([C@]2(C)NC(=O)N(CC#Cc3ccccc3)C2=O)o1 ZINC000187943374 225003382 /nfs/dbraw/zinc/00/33/82/225003382.db2.gz SXXNFQVPNVKLTB-SFHVURJKSA-N 0 0 308.337 2.407 10 30 DEEERN COc1ccnc(NC2CCN(CC#Cc3ccccc3)CC2)n1 ZINC000192861556 225143606 /nfs/dbraw/zinc/14/36/06/225143606.db2.gz BDBASKLEZRTOMK-UHFFFAOYSA-N 0 0 322.412 2.413 10 30 DEEERN Cc1csc([C@@H]2CN(C(=O)NCCCCC#N)CCO2)n1 ZINC000194227801 225177104 /nfs/dbraw/zinc/17/71/04/225177104.db2.gz KREDLKMVRJVVDP-LBPRGKRZSA-N 0 0 308.407 2.228 10 30 DEEERN Cc1ccc(S(=O)(=O)NNC2=CC(=O)CC(C)(C)C2)cc1 ZINC000256168254 225251188 /nfs/dbraw/zinc/25/11/88/225251188.db2.gz HZAPVISLNYOUOE-UHFFFAOYSA-N 0 0 308.403 2.409 10 30 DEEERN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@@H]1CCOC1 ZINC000329114030 225837699 /nfs/dbraw/zinc/83/76/99/225837699.db2.gz LQXBWAUUVVYHQJ-UTUOFQBUSA-N 0 0 307.350 2.160 10 30 DEEERN COCC1(CNC(=O)N2CCc3cncnc3C2)CCCCC1 ZINC000329722414 225921647 /nfs/dbraw/zinc/92/16/47/225921647.db2.gz NJKOZSDRIIXZOV-UHFFFAOYSA-N 0 0 318.421 2.346 10 30 DEEERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2CCOC3(CCCC3)C2)O1 ZINC000329283973 225859368 /nfs/dbraw/zinc/85/93/68/225859368.db2.gz OFPALMIPACHTAJ-HZSPNIEDSA-N 0 0 324.421 2.071 10 30 DEEERN COC[C@@H]1C[C@H](OC)CN1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000329489179 225885899 /nfs/dbraw/zinc/88/58/99/225885899.db2.gz UREMZMVWWHVQKA-GFJZSFIYSA-N 0 0 322.449 2.461 10 30 DEEERN C[C@H](C(=O)Nc1ccccc1O[C@@H]1CCOC1)N1CCOCC1 ZINC000329959784 225951272 /nfs/dbraw/zinc/95/12/72/225951272.db2.gz QSUBGNLAHLCZKA-ZIAGYGMSSA-N 0 0 320.389 2.163 10 30 DEEERN C[C@H](C(=O)NCc1ccn(C2CCCC2)n1)N1CCOCC1 ZINC000330320184 225994004 /nfs/dbraw/zinc/99/40/04/225994004.db2.gz DXYRECRMFSHELF-CYBMUJFWSA-N 0 0 306.410 2.175 10 30 DEEERN C[C@H](NC(=O)N1CCN(C)[C@@H](C#N)C1)c1cccc(C2CC2)c1 ZINC000333541975 226107809 /nfs/dbraw/zinc/10/78/09/226107809.db2.gz SFDCVKKYVKFRDO-GUYCJALGSA-N 0 0 312.417 2.474 10 30 DEEERN C[C@@H]1C[C@@H](O)C[C@H](C)N1CC(=O)N(CCC#N)c1ccccc1 ZINC000248828646 533682063 /nfs/dbraw/zinc/68/20/63/533682063.db2.gz KXZJEIUILXDTRJ-SCAQPMJSSA-N 0 0 315.417 2.167 10 30 DEEERN N#C[C@@H]1CN(C(=O)Nc2ccc(F)cc2F)CCN1C1CC1 ZINC000369232528 227027567 /nfs/dbraw/zinc/02/75/67/227027567.db2.gz PVHYIKOCJREAJF-GFCCVEGCSA-N 0 0 306.316 2.169 10 30 DEEERN Cn1cc(CN2CCN(C3CC3)[C@@H](C#N)C2)c(-c2ccccc2)n1 ZINC000370053979 227043569 /nfs/dbraw/zinc/04/35/69/227043569.db2.gz SMBNNEQZOHRRBO-SFHVURJKSA-N 0 0 321.428 2.259 10 30 DEEERN N#C[C@H]1CN(C(=O)c2ccc(-n3cccc3)cc2)CCN1C1CC1 ZINC000370971349 227060198 /nfs/dbraw/zinc/06/01/98/227060198.db2.gz CPNYJPLOAKOHOC-SFHVURJKSA-N 0 0 320.396 2.290 10 30 DEEERN N#C[C@H]1CN(C(=O)CCCc2cccs2)CCN1C1CC1 ZINC000370992681 227062350 /nfs/dbraw/zinc/06/23/50/227062350.db2.gz OHNCSQCKRIXDNG-AWEZNQCLSA-N 0 0 303.431 2.270 10 30 DEEERN Cc1nn(C(C)(C)C)c(C)c1CN1CCN(C2CC2)[C@H](C#N)C1 ZINC000371325866 227067824 /nfs/dbraw/zinc/06/78/24/227067824.db2.gz GVSOVVFQVRYEON-MRXNPFEDSA-N 0 0 315.465 2.427 10 30 DEEERN N#C[C@H]1CN(C(=O)c2ccc(Cl)c(F)c2)CCN1C1CC1 ZINC000371375504 227069322 /nfs/dbraw/zinc/06/93/22/227069322.db2.gz OMSOYCQVWXTIME-LBPRGKRZSA-N 0 0 307.756 2.291 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2ccc(Cl)c(F)c2)CCN1C1CC1 ZINC000371375503 227071040 /nfs/dbraw/zinc/07/10/40/227071040.db2.gz OMSOYCQVWXTIME-GFCCVEGCSA-N 0 0 307.756 2.291 10 30 DEEERN N#C[C@@H]1CN(C(=O)NCc2cccc(Cl)c2)CCN1C1CC1 ZINC000371621041 227074242 /nfs/dbraw/zinc/07/42/42/227074242.db2.gz LGRYNXVGENVDSV-OAHLLOKOSA-N 0 0 318.808 2.222 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cc(O)c3ccccc3c2)CCN1C1CC1 ZINC000376882652 227176858 /nfs/dbraw/zinc/17/68/58/227176858.db2.gz UGIXFJGOIYTHTL-MRXNPFEDSA-N 0 0 321.380 2.358 10 30 DEEERN Cc1noc(CCCN2CCC[C@@]3(CCCCO3)[C@H]2C#N)n1 ZINC000408450520 227234001 /nfs/dbraw/zinc/23/40/01/227234001.db2.gz HRGYTIYMPUZOEJ-ZBFHGGJFSA-N 0 0 304.394 2.238 10 30 DEEERN Cc1nc(C)n(C[C@@H]2CCCN(c3ccc(C)c(C#N)n3)C2)n1 ZINC000302616246 230321388 /nfs/dbraw/zinc/32/13/88/230321388.db2.gz FZZKYROWIAXDQH-OAHLLOKOSA-N 0 0 310.405 2.387 10 30 DEEERN CNC(=O)[C@@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)n1 ZINC000619697257 422531941 /nfs/dbraw/zinc/53/19/41/422531941.db2.gz RWEGVCJJTGUFOR-SCZZXKLOSA-N 0 0 312.295 2.299 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCO[C@](C)(C(F)F)C2)s1 ZINC000622187210 422537989 /nfs/dbraw/zinc/53/79/89/422537989.db2.gz IIDFDORENZWGSB-ZDUSSCGKSA-N 0 0 317.361 2.237 10 30 DEEERN N#Cc1cnccc1Sc1nnc(NCC(F)(F)F)s1 ZINC000548480525 424870977 /nfs/dbraw/zinc/87/09/77/424870977.db2.gz UPXVTUBWWRAESS-UHFFFAOYSA-N 0 0 317.321 2.930 10 30 DEEERN C=CCNc1ncc(C(=O)NC[C@@H]2CC23CCSCC3)s1 ZINC000565593313 424906045 /nfs/dbraw/zinc/90/60/45/424906045.db2.gz QOEXTXJMJAQRKJ-NSHDSACASA-N 0 0 323.487 3.004 10 30 DEEERN CC[C@@H](CNc1nc(C)cc(C#N)n1)Oc1cccc(F)c1 ZINC000566026561 424908336 /nfs/dbraw/zinc/90/83/36/424908336.db2.gz WGHVXXGNIUFQQA-AWEZNQCLSA-N 0 0 300.337 3.065 10 30 DEEERN C=CCNc1ncc(C(=O)N[C@@H](c2cccnc2)C2CC2)s1 ZINC000340703506 424949306 /nfs/dbraw/zinc/94/93/06/424949306.db2.gz LVXLTTQNLNEBEX-CQSZACIVSA-N 0 0 314.414 3.017 10 30 DEEERN CC(C)CCN(CCC#N)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000578467671 424958863 /nfs/dbraw/zinc/95/88/63/424958863.db2.gz CALYNLCPSJUYTN-UHFFFAOYSA-N 0 0 306.414 2.827 10 30 DEEERN C=CCC1(C(=O)Nc2cc(-c3ccncc3)[nH]n2)CCOCC1 ZINC000425160347 424995585 /nfs/dbraw/zinc/99/55/85/424995585.db2.gz VOVHNMIADXCUMM-UHFFFAOYSA-N 0 0 312.373 2.783 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1nn(C2CCCCC2)cc1C ZINC000351218544 425036291 /nfs/dbraw/zinc/03/62/91/425036291.db2.gz TWHCLLNYWQMEFC-ZDUSSCGKSA-N 0 0 306.410 2.755 10 30 DEEERN C=CCCCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000448016898 425055056 /nfs/dbraw/zinc/05/50/56/425055056.db2.gz YECOEBDMEJLNIU-UHFFFAOYSA-N 0 0 313.336 2.971 10 30 DEEERN C=CCNC(=O)c1ccc(NC[C@H]2CCO[C@H](C(C)C)C2)nc1 ZINC000450734256 425079444 /nfs/dbraw/zinc/07/94/44/425079444.db2.gz BRWWLPLQELWENH-HOCLYGCPSA-N 0 0 317.433 2.861 10 30 DEEERN C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1c1ccc(C#N)cc1F ZINC000284460327 267264351 /nfs/dbraw/zinc/26/43/51/267264351.db2.gz CPRCZZIOFQUXLM-LXZKKBNFSA-N 0 0 304.365 2.454 10 30 DEEERN CN(Cc1nnc2n1CCCCC2)C(=O)Cc1cccc(C#N)c1 ZINC000531387827 267325279 /nfs/dbraw/zinc/32/52/79/267325279.db2.gz LWTXUSAYPVYEEI-UHFFFAOYSA-N 0 0 323.400 2.077 10 30 DEEERN C[C@@H]1Oc2ccc(NC(=O)Cc3cccc(C#N)c3)cc2NC1=O ZINC000531386322 267795595 /nfs/dbraw/zinc/79/55/95/267795595.db2.gz ZONHREADSNNMMI-NSHDSACASA-N 0 0 321.336 2.459 10 30 DEEERN N#Cc1cccc(CC(=O)NCCc2ccc3c(c2)OCCO3)c1 ZINC000530671571 268275250 /nfs/dbraw/zinc/27/52/50/268275250.db2.gz GDCGOKBQEHLPLZ-UHFFFAOYSA-N 0 0 322.364 2.231 10 30 DEEERN N#Cc1ccsc1C(=O)NCc1cnn(CC(F)(F)F)c1 ZINC000532183460 268305739 /nfs/dbraw/zinc/30/57/39/268305739.db2.gz ZIKGVZPYXLVYSI-UHFFFAOYSA-N 0 0 314.292 2.309 10 30 DEEERN Cc1nsc(NC(=O)[C@H]2CCCc3nn(C)cc32)c1C#N ZINC000333907990 269003647 /nfs/dbraw/zinc/00/36/47/269003647.db2.gz VWXODYZJSBTGRY-VIFPVBQESA-N 0 0 301.375 2.115 10 30 DEEERN C#Cc1cccc(NC(=O)N2C[C@@H](CC)O[C@]3(CCOC3)C2)c1 ZINC000366812406 275388462 /nfs/dbraw/zinc/38/84/62/275388462.db2.gz UCECNQVMXVUXIL-SJLPKXTDSA-N 0 0 314.385 2.470 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000459969335 276919804 /nfs/dbraw/zinc/91/98/04/276919804.db2.gz ABDZANSTXYGPOI-ZBINZKHDSA-N 0 0 302.330 2.464 10 30 DEEERN COC(=O)[C@H]1CCN(C(=O)c2ccnc(C#N)c2)c2ccccc21 ZINC000193721236 277128940 /nfs/dbraw/zinc/12/89/40/277128940.db2.gz SKFGYIIGTNDGLT-HNNXBMFYSA-N 0 0 321.336 2.260 10 30 DEEERN COC(=O)[C@@]12CCC[C@@H]1CN(c1ccc(C#N)cc1[N+](=O)[O-])C2 ZINC000302167145 277378744 /nfs/dbraw/zinc/37/87/44/277378744.db2.gz LAOHYKGXQPMZJP-MLGOLLRUSA-N 0 0 315.329 2.246 10 30 DEEERN C#CC(C)(C)N(C)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000192852163 277668380 /nfs/dbraw/zinc/66/83/80/277668380.db2.gz KPVJWRWDVBMVNH-LRDDRELGSA-N 0 0 311.447 2.055 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)N(C)CC(F)(F)F ZINC000277796608 277843230 /nfs/dbraw/zinc/84/32/30/277843230.db2.gz VHKFCZLTADXSLJ-QMMMGPOBSA-N 0 0 306.250 2.446 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N(CC1CC1)[C@@](C)(CC)C(=O)OC ZINC000425076508 277903508 /nfs/dbraw/zinc/90/35/08/277903508.db2.gz GDNJUWOROLMLOI-KEYYUXOJSA-N 0 0 309.406 2.158 10 30 DEEERN C[C@H](C(=O)Nc1nccs1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000330115580 279240996 /nfs/dbraw/zinc/24/09/96/279240996.db2.gz FSZUPLDNNIMRTG-ZJUUUORDSA-N 0 0 306.395 2.117 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000450962096 279304990 /nfs/dbraw/zinc/30/49/90/279304990.db2.gz VTMGXUKBKMCCEM-GFCCVEGCSA-N 0 0 318.427 2.284 10 30 DEEERN C[C@H](NC(=O)N1CC2(CCC2)[C@H]1C1CC1)c1nnc2n1CCC2 ZINC000329634385 289232544 /nfs/dbraw/zinc/23/25/44/289232544.db2.gz XDHRKRDBNRYLMA-SMDDNHRTSA-N 0 0 315.421 2.464 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000408357885 294818055 /nfs/dbraw/zinc/81/80/55/294818055.db2.gz COXQUCKSXUSJAY-GWCFXTLKSA-N 0 0 301.321 2.132 10 30 DEEERN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCc2c(F)cccc2C1 ZINC000329743962 295384515 /nfs/dbraw/zinc/38/45/15/295384515.db2.gz XOPJMAZATPDZJW-GFCCVEGCSA-N 0 0 314.364 2.378 10 30 DEEERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)N1CCC2(CCOCC2)CC1 ZINC000328869438 295386189 /nfs/dbraw/zinc/38/61/89/295386189.db2.gz HOWBUUQXWZAMSW-ZNMIVQPWSA-N 0 0 308.422 2.361 10 30 DEEERN Cn1c2c(nc1[C@H]1CCCN1c1cnc(C#N)cn1)CCCC2 ZINC000275499429 302900490 /nfs/dbraw/zinc/90/04/90/302900490.db2.gz CHDNXYSZZKOKHQ-OAHLLOKOSA-N 0 0 308.389 2.302 10 30 DEEERN N#Cc1ccncc1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000576013516 326263593 /nfs/dbraw/zinc/26/35/93/326263593.db2.gz YVYWZTRBYKWPOO-UHFFFAOYSA-N 0 0 308.341 2.042 10 30 DEEERN COC(=O)c1c[nH]c(SCc2ccc(OC)c(C#N)c2)n1 ZINC000193537665 533709076 /nfs/dbraw/zinc/70/90/76/533709076.db2.gz UGBSVAPJBPZQGD-UHFFFAOYSA-N 0 0 303.343 2.369 10 30 DEEERN CC[C@@H](O)CN(CC(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 ZINC000170715656 332869897 /nfs/dbraw/zinc/86/98/97/332869897.db2.gz UVROOZISVIXEGE-DOTOQJQBSA-N 0 0 317.433 2.272 10 30 DEEERN C=C(C)Cn1c(N(C)[C@H]2CCOC2)nnc1[C@@]1(C)CCCO1 ZINC000556440423 331704293 /nfs/dbraw/zinc/70/42/93/331704293.db2.gz ONKJPBZBQSLPCN-XJKSGUPXSA-N 0 0 306.410 2.105 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000557593750 331801512 /nfs/dbraw/zinc/80/15/12/331801512.db2.gz AVFFFQUCGXVSKB-YSVLISHTSA-N 0 0 314.385 2.210 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000518296548 332008503 /nfs/dbraw/zinc/00/85/03/332008503.db2.gz JZHCMXHOQXLIDV-IAQYHMDHSA-N 0 0 301.346 2.381 10 30 DEEERN C=CCC(C)(C)CNC(=O)NCC1(O)Cc2ccccc2C1 ZINC000559421535 332258077 /nfs/dbraw/zinc/25/80/77/332258077.db2.gz AIMRYPZNAFCGFL-UHFFFAOYSA-N 0 0 302.418 2.418 10 30 DEEERN C=CCCS(=O)(=O)N1CCCN(c2ccc(C)cc2)CC1 ZINC000119819070 332307016 /nfs/dbraw/zinc/30/70/16/332307016.db2.gz CKTLFJSORAYVBD-UHFFFAOYSA-N 0 0 308.447 2.413 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cc(C#N)ccc1OC ZINC000571536137 333815283 /nfs/dbraw/zinc/81/52/83/333815283.db2.gz ZAXQFKXVTWHFMA-UHFFFAOYSA-N 0 0 315.373 2.368 10 30 DEEERN C=CCCS(=O)(=O)N[C@@H](CCC(C)(C)C)C(=O)OCC ZINC000344088360 335216810 /nfs/dbraw/zinc/21/68/10/335216810.db2.gz QIPMINPBTYLCGS-LBPRGKRZSA-N 0 0 305.440 2.240 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000519706528 335890796 /nfs/dbraw/zinc/89/07/96/335890796.db2.gz KAIGCRVEXNOZMV-RBSFLKMASA-N 0 0 322.449 2.169 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ncc(COC)s1 ZINC000520606398 335994202 /nfs/dbraw/zinc/99/42/02/335994202.db2.gz PZDPWGZQIMYYAF-UHFFFAOYSA-N 0 0 311.407 2.091 10 30 DEEERN CCCCCCCCOCC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000120278048 336905217 /nfs/dbraw/zinc/90/52/17/336905217.db2.gz QVLSTKDRRACCMR-CQSZACIVSA-N 0 0 308.426 2.086 10 30 DEEERN O=S1(=O)CC[C@@H](N(CC#Cc2ccc(Cl)cc2)C2CC2)C1 ZINC000177153854 337154129 /nfs/dbraw/zinc/15/41/29/337154129.db2.gz TWEQBSMKJPKENJ-MRXNPFEDSA-N 0 0 323.845 2.343 10 30 DEEERN C=CCOc1cccc(NC(=O)N2CCO[C@]3(CCOC3)C2)c1 ZINC000185392825 337204612 /nfs/dbraw/zinc/20/46/12/337204612.db2.gz GANYCPZLMYFDRT-QGZVFWFLSA-N 0 0 318.373 2.275 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cc(F)cc(OC)c1 ZINC000583868083 337361839 /nfs/dbraw/zinc/36/18/39/337361839.db2.gz IPOGFOMUKXFFHK-WFASDCNBSA-N 0 0 308.353 2.225 10 30 DEEERN O=C(CCCCCOCc1ccccc1)ON1C(=O)CCC1=O ZINC000584604793 337371450 /nfs/dbraw/zinc/37/14/50/337371450.db2.gz GSCORLDYPWONNJ-UHFFFAOYSA-N 0 0 319.357 2.371 10 30 DEEERN C=CCCCCCNC(=O)CN1C(=O)COc2ccccc21 ZINC000584663042 337378481 /nfs/dbraw/zinc/37/84/81/337378481.db2.gz RRPASMWLILQYNB-UHFFFAOYSA-N 0 0 302.374 2.275 10 30 DEEERN C=CCCCCCNC(=O)NCc1nnc(-c2ccncc2)[nH]1 ZINC000584663676 337378884 /nfs/dbraw/zinc/37/88/84/337378884.db2.gz ISBRWSWDLJVEGG-UHFFFAOYSA-N 0 0 314.393 2.412 10 30 DEEERN C=C(C)[C@H](CC(=O)N(C)Cc1nc([C@H](C)OC)no1)OCC ZINC000270201810 337639676 /nfs/dbraw/zinc/63/96/76/337639676.db2.gz QHAITTVDIJDUPX-RYUDHWBXSA-N 0 0 311.382 2.107 10 30 DEEERN C[C@@H]1CC(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000543735099 341055836 /nfs/dbraw/zinc/05/58/36/341055836.db2.gz FGQKDHCJAUXNJB-PSTGCABASA-N 0 0 324.421 2.320 10 30 DEEERN COc1cccc(-c2nc(C)c(C(=O)N[C@H](C#N)C3CC3)[nH]2)c1 ZINC000132815387 341146174 /nfs/dbraw/zinc/14/61/74/341146174.db2.gz MOIGLHQGEYTNEH-CQSZACIVSA-N 0 0 310.357 2.426 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1c(OC)ccc(SC)c1OC ZINC000547404364 341211406 /nfs/dbraw/zinc/21/14/06/341211406.db2.gz ABYUAAKIGCMBTR-SNVBAGLBSA-N 0 0 311.403 2.093 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC000548951772 341282247 /nfs/dbraw/zinc/28/22/47/341282247.db2.gz PEOZZFCFHJRSSJ-AWEZNQCLSA-N 0 0 317.437 2.083 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000549273562 341290204 /nfs/dbraw/zinc/29/02/04/341290204.db2.gz FHYYNOIMTCROIE-UHFFFAOYSA-N 0 0 319.453 2.252 10 30 DEEERN O=C1CN(CC#Cc2ccc(Cl)cc2)[C@@H]2CCCC[C@@H]2N1 ZINC000246565796 341353744 /nfs/dbraw/zinc/35/37/44/341353744.db2.gz KWXLBASYSDPPEO-JKSUJKDBSA-N 0 0 302.805 2.435 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000555256855 341478647 /nfs/dbraw/zinc/47/86/47/341478647.db2.gz VZUNROAPGUYRCI-GRDNDAEWSA-N 0 0 320.437 2.325 10 30 DEEERN C=CCn1c(-c2cccn2C)nnc1N1CC[C@H](OC(F)F)C1 ZINC000565919527 341542397 /nfs/dbraw/zinc/54/23/97/341542397.db2.gz DDPWCHUIUDVDRV-NSHDSACASA-N 0 0 323.347 2.288 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000566145697 341548994 /nfs/dbraw/zinc/54/89/94/341548994.db2.gz GRTVGESRTUCBLQ-XIRDDKMYSA-N 0 0 315.417 2.474 10 30 DEEERN C=CCCOCCNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000155359493 341606715 /nfs/dbraw/zinc/60/67/15/341606715.db2.gz RAKKSCYXPCHWLD-UHFFFAOYSA-N 0 0 305.374 2.099 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1oc(COC(C)(C)C)nc1C ZINC000568031238 341646821 /nfs/dbraw/zinc/64/68/21/341646821.db2.gz RIHZOUHRWQKXAV-LBPRGKRZSA-N 0 0 310.394 2.213 10 30 DEEERN C=CCNS(=O)(=O)c1ccc(C(=O)NCC2(C)CCC2)cc1 ZINC000175086254 500577488 /nfs/dbraw/zinc/57/74/88/500577488.db2.gz OPNHMHHVQDHXKV-UHFFFAOYSA-N 0 0 322.430 2.071 10 30 DEEERN COc1ccc(F)c(NCC(=O)NCc2cccc(C#N)c2)c1 ZINC000447337277 533916248 /nfs/dbraw/zinc/91/62/48/533916248.db2.gz FHMDMIZYIVOMOB-UHFFFAOYSA-N 0 0 313.332 2.434 10 30 DEEERN Cc1c(NCC#Cc2ccccc2)cccc1C(=O)NCCO ZINC000190376928 533922477 /nfs/dbraw/zinc/92/24/77/533922477.db2.gz BJLFBICWBGVMRE-UHFFFAOYSA-N 0 0 308.381 2.181 10 30 DEEERN COc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1F ZINC000369218836 534106627 /nfs/dbraw/zinc/10/66/27/534106627.db2.gz LNEUKTLVRIMTDS-ZDUSSCGKSA-N 0 0 318.352 2.038 10 30 DEEERN C=C(CC)CNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000454018027 534405325 /nfs/dbraw/zinc/40/53/25/534405325.db2.gz ANHPKGDLRGHCEP-UHFFFAOYSA-N 0 0 324.764 2.148 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N1CCOCC2(CC2)C1 ZINC000453427642 534424094 /nfs/dbraw/zinc/42/40/94/534424094.db2.gz WGYRWYSRAWLVRZ-UHFFFAOYSA-N 0 0 300.362 2.341 10 30 DEEERN C=CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccnn1C ZINC000453439049 534449284 /nfs/dbraw/zinc/44/92/84/534449284.db2.gz KVYIGFGXSMFXGR-AWEZNQCLSA-N 0 0 316.409 2.076 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)c2sccc2C#N)[C@@]12CCCO2 ZINC000363976553 520421630 /nfs/dbraw/zinc/42/16/30/520421630.db2.gz SCMAALOLNBYPRK-ZOWXZIJZSA-N 0 0 306.387 2.076 10 30 DEEERN C=CCC(C)(C)CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000458810167 534548153 /nfs/dbraw/zinc/54/81/53/534548153.db2.gz MCPZYZXCGVSQDL-LSDHHAIUSA-N 0 0 324.465 2.456 10 30 DEEERN Cc1oc2ccccc2c1CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000373355228 534553738 /nfs/dbraw/zinc/55/37/38/534553738.db2.gz UEUVDFXWYIPEIV-HNNXBMFYSA-N 0 0 323.396 2.483 10 30 DEEERN Cc1nc([C@@H]2CCCN2CC(=O)N[C@](C)(C#N)C2CC2)cs1 ZINC000249491847 534570991 /nfs/dbraw/zinc/57/09/91/534570991.db2.gz YPLRARLGKUQYBX-GOEBONIOSA-N 0 0 318.446 2.397 10 30 DEEERN N#CC1(c2ccc(C(=O)N[C@@H]3CCc4n[nH]cc4C3)cc2)CC1 ZINC000180408663 534574544 /nfs/dbraw/zinc/57/45/44/534574544.db2.gz UPGSEMSWZBLCPA-OAHLLOKOSA-N 0 0 306.369 2.252 10 30 DEEERN N#CC1CCC(CNC(=O)NC[C@H]2COC3(CCCC3)O2)CC1 ZINC000374149278 534581579 /nfs/dbraw/zinc/58/15/79/534581579.db2.gz RNGKQAVRSJIRKE-NRXISQOPSA-N 0 0 321.421 2.301 10 30 DEEERN N#CC[C@H](CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000373579369 534713588 /nfs/dbraw/zinc/71/35/88/534713588.db2.gz UFRWZGBLJPLAKX-AEFFLSMTSA-N 0 0 322.412 2.273 10 30 DEEERN C[C@@H]1CN(C(=O)c2sccc2C#N)C[C@@]2(CCCOC2)O1 ZINC000373604197 524887133 /nfs/dbraw/zinc/88/71/33/524887133.db2.gz OXDJPVBIESJZBH-IAQYHMDHSA-N 0 0 306.387 2.030 10 30 DEEERN C[C@@H]1CN(C(=O)c2sccc2C#N)CC2(CCOCC2)O1 ZINC000365585778 524887687 /nfs/dbraw/zinc/88/76/87/524887687.db2.gz NPSOCMQXHIOQKY-LLVKDONJSA-N 0 0 306.387 2.030 10 30 DEEERN Cc1csc(N2CCC(C(=O)N[C@@H]3CCC[C@H]3C#N)CC2)n1 ZINC000408333631 534825444 /nfs/dbraw/zinc/82/54/44/534825444.db2.gz GQFVTKXOUNNUEA-UONOGXRCSA-N 0 0 318.446 2.476 10 30 DEEERN C=CCOc1ccc(CC(=O)NCC[C@H](O)C(F)(F)F)cc1 ZINC000449942404 534881432 /nfs/dbraw/zinc/88/14/32/534881432.db2.gz ZKXBSKXDKWFDLY-ZDUSSCGKSA-N 0 0 317.307 2.223 10 30 DEEERN C=CCN(CCOC)C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000191965816 526297319 /nfs/dbraw/zinc/29/73/19/526297319.db2.gz QVYUBDKYQKZSRK-UHFFFAOYSA-N 0 0 318.295 2.297 10 30 DEEERN C=CCN(Cc1cc(C(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 ZINC000289356576 526332123 /nfs/dbraw/zinc/33/21/23/526332123.db2.gz MBYIDSKXIZCUKC-ZDUSSCGKSA-N 0 0 312.435 2.147 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCOC1 ZINC000171613794 526348047 /nfs/dbraw/zinc/34/80/47/526348047.db2.gz OXNSAXGSKPVPNS-CQSZACIVSA-N 0 0 319.361 2.471 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)C2(c3ccc(F)cc3)CC2)C1=O ZINC000337106203 526458987 /nfs/dbraw/zinc/45/89/87/526458987.db2.gz ZSAOZOADJNOMOV-OAHLLOKOSA-N 0 0 316.376 2.103 10 30 DEEERN C=CCNC(=O)NC(=O)CN1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000245408587 526593642 /nfs/dbraw/zinc/59/36/42/526593642.db2.gz HYVWHAJASDTKSP-BLLLJJGKSA-N 0 0 319.380 2.220 10 30 DEEERN C=C(C)CNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000342274758 526617452 /nfs/dbraw/zinc/61/74/52/526617452.db2.gz PLIUAQVTTNNNHA-ZFWWWQNUSA-N 0 0 301.390 2.051 10 30 DEEERN C=C(C)COCCNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000354058508 526629360 /nfs/dbraw/zinc/62/93/60/526629360.db2.gz IEJYJJCUJBSALG-UHFFFAOYSA-N 0 0 302.349 2.438 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000288073631 526675539 /nfs/dbraw/zinc/67/55/39/526675539.db2.gz GSNPJHRTSZZGKI-UHFFFAOYSA-N 0 0 301.293 2.244 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000248558228 526676369 /nfs/dbraw/zinc/67/63/69/526676369.db2.gz MDMZDJAUEHNFMM-HZPDHXFCSA-N 0 0 309.431 2.480 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@@](COC)(C(=O)OCC)C1 ZINC000343852075 526707155 /nfs/dbraw/zinc/70/71/55/526707155.db2.gz LJQKLLYTNJXJGO-WMLDXEAASA-N 0 0 311.422 2.407 10 30 DEEERN C#CCCCNC(=O)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000174114229 526710308 /nfs/dbraw/zinc/71/03/08/526710308.db2.gz YBJKFOUJTIWPNA-UHFFFAOYSA-N 0 0 319.449 2.270 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC000412840590 526715700 /nfs/dbraw/zinc/71/57/00/526715700.db2.gz NSIWFQINTNUWJT-VIFPVBQESA-N 0 0 314.432 2.155 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCCC1(C)C ZINC000292773624 526740273 /nfs/dbraw/zinc/74/02/73/526740273.db2.gz BRLGTQKIKSSKCH-CYBMUJFWSA-N 0 0 306.410 2.321 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CC=C(c2ccnn2C)CC1)OCC ZINC000286318471 526743139 /nfs/dbraw/zinc/74/31/39/526743139.db2.gz NQVMDTJCHADMAP-MRXNPFEDSA-N 0 0 303.406 2.407 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCOC[C@H]1CC(F)F ZINC000355862197 526773308 /nfs/dbraw/zinc/77/33/08/526773308.db2.gz ODQVPTPVMHWJKA-BZPMIXESSA-N 0 0 318.364 2.033 10 30 DEEERN C=CCOCCNC(=O)N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000371643210 526777434 /nfs/dbraw/zinc/77/74/34/526777434.db2.gz UWSUJOFELHGBIT-TZMCWYRMSA-N 0 0 310.419 2.422 10 30 DEEERN C=CCOCCNC(=O)Nc1nc(C2CCOCC2)cs1 ZINC000376781082 526781296 /nfs/dbraw/zinc/78/12/96/526781296.db2.gz UUTMITSZUPXWOG-UHFFFAOYSA-N 0 0 311.407 2.361 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCC(NC(=O)C2CCC2)CC1)OCC ZINC000366741837 526806598 /nfs/dbraw/zinc/80/65/98/526806598.db2.gz USJAUDRPXLRLFI-INIZCTEOSA-N 0 0 322.449 2.265 10 30 DEEERN C=C(C)[C@H](CC(=O)NCCOc1ccc(C#N)cc1)OCC ZINC000339365654 526812271 /nfs/dbraw/zinc/81/22/71/526812271.db2.gz ZMWYFPRIFIKFOF-INIZCTEOSA-N 0 0 302.374 2.425 10 30 DEEERN C=C(CNC(=O)[C@H]1CSCN1C(=O)CC)c1ccccc1 ZINC000288416942 526877396 /nfs/dbraw/zinc/87/73/96/526877396.db2.gz ZPYGTXJGEKWJKA-CQSZACIVSA-N 0 0 304.415 2.128 10 30 DEEERN C=C1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2cccs2)CC1 ZINC000342087898 526897809 /nfs/dbraw/zinc/89/78/09/526897809.db2.gz BSPOMHXNASAPHT-OAHLLOKOSA-N 0 0 318.442 2.460 10 30 DEEERN C=CCSCCNS(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190578816 527004560 /nfs/dbraw/zinc/00/45/60/527004560.db2.gz LSQJPCZNQMZRBC-UHFFFAOYSA-N 0 0 305.396 2.032 10 30 DEEERN C=CCSc1ccccc1C(=O)N1CCN2CCOC[C@H]2C1 ZINC000362402351 527008675 /nfs/dbraw/zinc/00/86/75/527008675.db2.gz LQAMRUWSXDVSDF-CQSZACIVSA-N 0 0 318.442 2.121 10 30 DEEERN C#CCOCCC(=O)N1CCC[C@H]1Cc1ccccc1OC ZINC000124609208 527064190 /nfs/dbraw/zinc/06/41/90/527064190.db2.gz BMZYZZFLRGYFQV-INIZCTEOSA-N 0 0 301.386 2.269 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@@H]1COc2c1ccc(C)c2C ZINC000341816048 527066298 /nfs/dbraw/zinc/06/62/98/527066298.db2.gz ADRRYIMVGUPVDE-UKRRQHHQSA-N 0 0 304.390 2.221 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000183638334 527093874 /nfs/dbraw/zinc/09/38/74/527093874.db2.gz KCAQOLMNHBIRBG-HIFRSBDPSA-N 0 0 314.389 2.170 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)N1CC[C@H](C)[C@H](OC)C1 ZINC000410641276 527118135 /nfs/dbraw/zinc/11/81/35/527118135.db2.gz KVKCCXUNNMIMNV-LSDHHAIUSA-N 0 0 310.438 2.075 10 30 DEEERN C=CC[C@H](C(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000189903088 527120883 /nfs/dbraw/zinc/12/08/83/527120883.db2.gz YWTDOIKULLGCNP-MSOLQXFVSA-N 0 0 314.429 2.279 10 30 DEEERN C=CCCCCNC(=O)C(=O)Nc1cc(OC)cc(OC)c1C ZINC000337681167 527143550 /nfs/dbraw/zinc/14/35/50/527143550.db2.gz ZPNOBPPLJXWJJL-UHFFFAOYSA-N 0 0 320.389 2.423 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000378084770 527162001 /nfs/dbraw/zinc/16/20/01/527162001.db2.gz DDODKGDIORQWMY-HOTGVXAUSA-N 0 0 322.412 2.201 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000378084769 527173311 /nfs/dbraw/zinc/17/33/11/527173311.db2.gz DDODKGDIORQWMY-CVEARBPZSA-N 0 0 322.412 2.201 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000410598404 527175615 /nfs/dbraw/zinc/17/56/15/527175615.db2.gz OKBXYTZIWAPLSC-GOEBONIOSA-N 0 0 315.417 2.416 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1cc(Br)cs1 ZINC000183124955 527198052 /nfs/dbraw/zinc/19/80/52/527198052.db2.gz RXRPJAIRGZQAPH-SECBINFHSA-N 0 0 319.224 2.247 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1cn(CCCCC)nc1C ZINC000346324208 527197950 /nfs/dbraw/zinc/19/79/50/527197950.db2.gz WFCVIHVHQHREOT-OAHLLOKOSA-N 0 0 308.426 2.118 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1C[C@H]1c1ccc(OCC)cc1 ZINC000280791299 527199806 /nfs/dbraw/zinc/19/98/06/527199806.db2.gz QZGSKPFODRZVOY-VNQPRFMTSA-N 0 0 304.390 2.177 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)OC ZINC000448377786 527210008 /nfs/dbraw/zinc/21/00/08/527210008.db2.gz WUZAIAATSGAAHM-UHFFFAOYSA-N 0 0 324.764 2.148 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)Cn1cncn1 ZINC000413212742 527218847 /nfs/dbraw/zinc/21/88/47/527218847.db2.gz YZIOVNHQNHRHDV-GOEBONIOSA-N 0 0 313.405 2.153 10 30 DEEERN C=CCCCNS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000447937813 527234486 /nfs/dbraw/zinc/23/44/86/527234486.db2.gz YDWGDPZKDSFUOC-UHFFFAOYSA-N 0 0 303.387 2.388 10 30 DEEERN C=CCCCS(=O)(=O)NCc1ccn(Cc2ccccc2)n1 ZINC000292390205 527244221 /nfs/dbraw/zinc/24/42/21/527244221.db2.gz SDBDECASAXXFJH-UHFFFAOYSA-N 0 0 319.430 2.317 10 30 DEEERN C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC000337818642 527271294 /nfs/dbraw/zinc/27/12/94/527271294.db2.gz QGECWFMPZZKXKQ-ZDUSSCGKSA-N 0 0 323.404 2.187 10 30 DEEERN C=CCCN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000338830413 527305410 /nfs/dbraw/zinc/30/54/10/527305410.db2.gz XLWMXCUIEPKBRH-UHFFFAOYSA-N 0 0 315.295 2.382 10 30 DEEERN C=CCn1c(CC2CC2)nnc1N1CCO[C@H](C2CCC2)C1 ZINC000414534718 527313898 /nfs/dbraw/zinc/31/38/98/527313898.db2.gz XEKSYPSSOHRVOE-HNNXBMFYSA-N 0 0 302.422 2.422 10 30 DEEERN C=CCCOCCNC(=O)C(=O)N(C)[C@@H](C)c1ccccc1C ZINC000342015088 527339632 /nfs/dbraw/zinc/33/96/32/527339632.db2.gz DPOPYXIDOYUVPT-HNNXBMFYSA-N 0 0 318.417 2.223 10 30 DEEERN C=CCCOCCNC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000155467899 527346186 /nfs/dbraw/zinc/34/61/86/527346186.db2.gz KQRDOCOYHIXWNE-AWEZNQCLSA-N 0 0 320.414 2.198 10 30 DEEERN C=CCCOCCNC(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000374690497 527351598 /nfs/dbraw/zinc/35/15/98/527351598.db2.gz AQYSIGWYPPGMAL-INIZCTEOSA-N 0 0 303.406 2.248 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000372024332 527376194 /nfs/dbraw/zinc/37/61/94/527376194.db2.gz FFZJIZOKXBQICM-GJZGRUSLSA-N 0 0 322.405 2.390 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CCC[C@@H](c3nc(C)no3)C2)cc1 ZINC000296598057 527435688 /nfs/dbraw/zinc/43/56/88/527435688.db2.gz HAFCOTIMCGKHNG-MRXNPFEDSA-N 0 0 324.384 2.449 10 30 DEEERN C#Cc1cccc(NC(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)c1 ZINC000368347276 527459188 /nfs/dbraw/zinc/45/91/88/527459188.db2.gz HNYLEVAQOHEEIM-CQSZACIVSA-N 0 0 306.369 2.338 10 30 DEEERN C=CCCc1ccccc1NC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000337581802 527506611 /nfs/dbraw/zinc/50/66/11/527506611.db2.gz CHRSXIQEJNUDQP-CYBMUJFWSA-N 0 0 322.430 2.456 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000188528267 527527622 /nfs/dbraw/zinc/52/76/22/527527622.db2.gz WPRFAURPZBZAKO-YOEHRIQHSA-N 0 0 321.421 2.388 10 30 DEEERN C=CCN(C(=O)C(=O)Nc1cccc2c1OCCC2)C1CC1 ZINC000364824815 527532058 /nfs/dbraw/zinc/53/20/58/527532058.db2.gz VRTWMUHSWJOCFA-UHFFFAOYSA-N 0 0 300.358 2.127 10 30 DEEERN C=CCN(C)C(=O)N[C@@H](c1c(C)nn(C)c1C)C(F)(F)F ZINC000429543990 527563896 /nfs/dbraw/zinc/56/38/96/527563896.db2.gz ZJLUGALMNNQTLG-NSHDSACASA-N 0 0 304.316 2.468 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000359268221 527601720 /nfs/dbraw/zinc/60/17/20/527601720.db2.gz UULKZIDEVOWTAW-ZDUSSCGKSA-N 0 0 304.390 2.226 10 30 DEEERN CC1CCC(OC2CCN(S(=O)(=O)CCC#N)CC2)CC1 ZINC000408455540 528203427 /nfs/dbraw/zinc/20/34/27/528203427.db2.gz DSLVKQFSNUFMMJ-UHFFFAOYSA-N 0 0 314.451 2.290 10 30 DEEERN CCCCN(CC#Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000192102257 528374139 /nfs/dbraw/zinc/37/41/39/528374139.db2.gz QNSSXUGSMOBESL-QGZVFWFLSA-N 0 0 305.443 2.327 10 30 DEEERN CCCCOC[C@@H](O)Cn1nc(-c2cccc(C#N)c2)nc1C ZINC000193386175 528621885 /nfs/dbraw/zinc/62/18/85/528621885.db2.gz PCMVZLGKZUWXKS-INIZCTEOSA-N 0 0 314.389 2.303 10 30 DEEERN CCOC(=O)CC[C@H](C)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188945650 528753267 /nfs/dbraw/zinc/75/32/67/528753267.db2.gz ZJQYQXPVPIVWJY-ZDUSSCGKSA-N 0 0 314.385 2.438 10 30 DEEERN CCN(Cc1cnn(C)c1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188976197 528873666 /nfs/dbraw/zinc/87/36/66/528873666.db2.gz SBCJDRUQGPNWQS-UHFFFAOYSA-N 0 0 308.385 2.372 10 30 DEEERN CCSc1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccn1 ZINC000370970060 529235383 /nfs/dbraw/zinc/23/53/83/529235383.db2.gz VKAGLWHEXWQSAC-AWEZNQCLSA-N 0 0 316.430 2.006 10 30 DEEERN CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000376370689 529283417 /nfs/dbraw/zinc/28/34/17/529283417.db2.gz RMUIHHQTZUGOBT-PVAVHDDUSA-N 0 0 319.449 2.171 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(F)c(C#N)c3)[C@H]2C1 ZINC000246785655 536700558 /nfs/dbraw/zinc/70/05/58/536700558.db2.gz PIQJOMDTSOZGFG-PVAVHDDUSA-N 0 0 304.365 2.466 10 30 DEEERN C#CC[C@@H](OC(=O)CNC(=O)c1ccc(OC)cc1)C(C)(C)C ZINC000159768097 625362770 /nfs/dbraw/zinc/36/27/70/625362770.db2.gz CMBMBCAPJQQBGA-OAHLLOKOSA-N 0 0 317.385 2.406 10 30 DEEERN C#CCN(C1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000176835426 625368755 /nfs/dbraw/zinc/36/87/55/625368755.db2.gz HWFOPISPBPGOIN-UHFFFAOYSA-N 0 0 322.386 2.470 10 30 DEEERN C=CC1CCN(CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)CC1 ZINC000255601731 625423011 /nfs/dbraw/zinc/42/30/11/625423011.db2.gz IHRRXOBIGGDZPP-CYBMUJFWSA-N 0 0 302.422 2.113 10 30 DEEERN CC(C)CC(=O)N[C@@H](C(=O)[C@H](C#N)c1ccccn1)C(C)C ZINC000049457474 622567642 /nfs/dbraw/zinc/56/76/42/622567642.db2.gz JZSKMRWNJVQPIS-CZUORRHYSA-N 0 0 301.390 2.445 10 30 DEEERN COc1cccc(/C=N\[C@@H]2CCCN(c3cnn(C)c3)C2)c1O ZINC000255062926 623327804 /nfs/dbraw/zinc/32/78/04/623327804.db2.gz YITXTZAVGLPFCA-BBSXFRJVSA-N 0 0 314.389 2.222 10 30 DEEERN O=C(OCC#Cc1ccccc1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000121175010 623749326 /nfs/dbraw/zinc/74/93/26/623749326.db2.gz XJVKKXSRVWZQSX-MRXNPFEDSA-N 0 0 311.381 2.372 10 30 DEEERN C=C[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000187582532 624561802 /nfs/dbraw/zinc/56/18/02/624561802.db2.gz PPKWQMPYWYFXSP-GFCCVEGCSA-N 0 0 311.403 2.447 10 30 DEEERN CC(C)(C)C(=O)NCC(=O)OCC#Cc1ccc(Cl)cc1 ZINC000177891561 625104533 /nfs/dbraw/zinc/10/45/33/625104533.db2.gz YOPBVKSYQILCRR-UHFFFAOYSA-N 0 0 307.777 2.397 10 30 DEEERN COc1ccccc1[C@H](O)CNC(=O)c1ccc(C#N)cc1C ZINC000178769034 625109121 /nfs/dbraw/zinc/10/91/21/625109121.db2.gz ASHTURMDVUJFTO-MRXNPFEDSA-N 0 0 310.353 2.339 10 30 DEEERN C[C@@H](OC1CCCCCC1)C(=O)[C@H](C#N)C(=O)N1CCCC1 ZINC000162262794 625203621 /nfs/dbraw/zinc/20/36/21/625203621.db2.gz HDZVMBUSXOARLA-HIFRSBDPSA-N 0 0 306.406 2.446 10 30 DEEERN CCN(CCC#N)C(=O)CN1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000121438511 649989218 /nfs/dbraw/zinc/98/92/18/649989218.db2.gz QLKZBUCYXBZSOB-LBPRGKRZSA-N 0 0 316.361 2.108 10 30 DEEERN C#CCOc1ccc(C(=O)Nc2cncc(C(=O)OC)c2)cc1 ZINC000178389636 633162369 /nfs/dbraw/zinc/16/23/69/633162369.db2.gz MIHNLDPYPTXGIU-UHFFFAOYSA-N 0 0 310.309 2.133 10 30 DEEERN CC(C)[C@H]1NC(=O)N(Cc2cc(Cl)ccc2OCC#N)C1=O ZINC000735303597 633499910 /nfs/dbraw/zinc/49/99/10/633499910.db2.gz XEBGUKVXPXUOEN-CYBMUJFWSA-N 0 0 321.764 2.319 10 30 DEEERN CN(Cc1cc(Cl)ccc1OCC#N)[C@H]1CCCCNC1=O ZINC000735310233 633501065 /nfs/dbraw/zinc/50/10/65/633501065.db2.gz UWSZIRVSMSBRID-AWEZNQCLSA-N 0 0 321.808 2.343 10 30 DEEERN N#CCOc1ccc(Cl)cc1COC(=O)c1cc[n+]([O-])cc1 ZINC000735333840 633503686 /nfs/dbraw/zinc/50/36/86/633503686.db2.gz JELQYWMDGWFPGI-UHFFFAOYSA-N 0 0 318.716 2.233 10 30 DEEERN N#C[C@@H](C(=O)CCCOc1cccc(F)c1)C(=O)N1CCCC1 ZINC000125278874 633518794 /nfs/dbraw/zinc/51/87/94/633518794.db2.gz LHGDKMWBOHHKKR-HNNXBMFYSA-N 0 0 318.348 2.316 10 30 DEEERN C=CCCCN(C)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O ZINC000736589152 633662678 /nfs/dbraw/zinc/66/26/78/633662678.db2.gz BSSRHZBJLQOLNR-KRWDZBQOSA-N 0 0 319.380 2.448 10 30 DEEERN Cc1noc([C@@H](C)OC(=O)[C@H](C)Oc2ccccc2C#N)n1 ZINC000073507481 634101156 /nfs/dbraw/zinc/10/11/56/634101156.db2.gz TWXWUAFBRGOQAQ-ZJUUUORDSA-N 0 0 301.302 2.321 10 30 DEEERN C#CCOc1ccccc1NC(=O)Nc1cc(COC)ncn1 ZINC000187601544 635664363 /nfs/dbraw/zinc/66/43/63/635664363.db2.gz GJLQZFNYRRQKEX-UHFFFAOYSA-N 0 0 312.329 2.279 10 30 DEEERN C=C(C)CNC(=S)N[C@@H](c1nnc2ccccn21)C(C)C ZINC000726131092 636411452 /nfs/dbraw/zinc/41/14/52/636411452.db2.gz QWBDXFASHCEGTF-CYBMUJFWSA-N 0 0 303.435 2.467 10 30 DEEERN C=C(CSc1nnnn1-c1c(C)cccc1C)C(=O)OCC ZINC000191022688 637511845 /nfs/dbraw/zinc/51/18/45/637511845.db2.gz AISWHHHZIWKOBB-UHFFFAOYSA-N 0 0 318.402 2.491 10 30 DEEERN C#Cc1cccc(NC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)c1 ZINC000727300987 637819630 /nfs/dbraw/zinc/81/96/30/637819630.db2.gz RXLNWHGGORFSLJ-KRWDZBQOSA-N 0 0 321.380 2.456 10 30 DEEERN C#CCOc1ccc(NC(=O)C(=O)NC[C@H](C)C(C)C)cc1 ZINC000740508085 637863577 /nfs/dbraw/zinc/86/35/77/637863577.db2.gz SAJATADSAAJYJW-ZDUSSCGKSA-N 0 0 302.374 2.045 10 30 DEEERN C=C(C)CN(CC)C(=O)CON=C(N)c1ccc(Cl)cc1 ZINC000727487412 637968744 /nfs/dbraw/zinc/96/87/44/637968744.db2.gz SUKAOMAFPMNBLY-UHFFFAOYSA-N 0 0 309.797 2.402 10 30 DEEERN C=CCc1cc(OCC)ccc1OC(=O)c1nnn(C)c1C ZINC000744021360 638185557 /nfs/dbraw/zinc/18/55/57/638185557.db2.gz BPMIXFZVNCOSDQ-UHFFFAOYSA-N 0 0 301.346 2.470 10 30 DEEERN C=CCNC(=O)COC(=O)c1cccc(-c2cscn2)c1 ZINC000745606852 638277256 /nfs/dbraw/zinc/27/72/56/638277256.db2.gz ONCOKZCIPWXYKJ-UHFFFAOYSA-N 0 0 302.355 2.269 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CCN1C1CC1 ZINC000745874956 638295183 /nfs/dbraw/zinc/29/51/83/638295183.db2.gz AYAAFIIWUWLCPF-LJIGWXMPSA-N 0 0 316.449 2.337 10 30 DEEERN CCc1nc(CC(=O)NCc2ccc(OC)c(C#N)c2)cs1 ZINC000746857490 638381738 /nfs/dbraw/zinc/38/17/38/638381738.db2.gz HHIATLLUEONSNO-UHFFFAOYSA-N 0 0 315.398 2.445 10 30 DEEERN COc1ccc(CNC(=O)COc2ccccc2C#N)cc1C#N ZINC000746872949 638383930 /nfs/dbraw/zinc/38/39/30/638383930.db2.gz RPUJJJHOXBAQJK-UHFFFAOYSA-N 0 0 321.336 2.134 10 30 DEEERN C#CC[C@@H](OC(=O)c1ccc(OCC(=O)OC)cc1)C(C)C ZINC000747194234 638417835 /nfs/dbraw/zinc/41/78/35/638417835.db2.gz KCLIUQQBDNKJJH-OAHLLOKOSA-N 0 0 304.342 2.443 10 30 DEEERN C#Cc1cccc(N(C(C)C)S(=O)(=O)c2cn(CC)cn2)c1 ZINC000747265615 638424532 /nfs/dbraw/zinc/42/45/32/638424532.db2.gz ATLKEHIHRVBNHY-UHFFFAOYSA-N 0 0 317.414 2.488 10 30 DEEERN CC[C@H](C)[C@@](C)(O)CNC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747430854 638436828 /nfs/dbraw/zinc/43/68/28/638436828.db2.gz FXSHABMBPIUCEE-SJCJKPOMSA-N 0 0 319.405 2.163 10 30 DEEERN C[C@@H]1C(=O)N(Cc2cc(Cl)ccc2OCC#N)C(=O)[C@H]1C ZINC000747864471 638485185 /nfs/dbraw/zinc/48/51/85/638485185.db2.gz XNMTYDLSTOHYHY-UWVGGRQHSA-N 0 0 306.749 2.383 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1ccc(OC)c(O)c1 ZINC000748202016 638528064 /nfs/dbraw/zinc/52/80/64/638528064.db2.gz MBBRLHQEURROQD-GFCCVEGCSA-N 0 0 321.373 2.371 10 30 DEEERN CC(C)(C)CCNC(=O)COC(=O)Cc1cccc(C#N)c1 ZINC000750435664 638745011 /nfs/dbraw/zinc/74/50/11/638745011.db2.gz KQJPMIDXFPLDBR-UHFFFAOYSA-N 0 0 302.374 2.196 10 30 DEEERN N#Cc1ccc(COC(=O)CCOc2ccccc2C(N)=O)cc1 ZINC000750547416 639001999 /nfs/dbraw/zinc/00/19/99/639001999.db2.gz XKLROKOOMZEUEZ-UHFFFAOYSA-N 0 0 324.336 2.169 10 30 DEEERN C=CCCS(=O)(=O)N1CCC(O)(c2cccc(C)c2C)CC1 ZINC000751455217 639084137 /nfs/dbraw/zinc/08/41/37/639084137.db2.gz ZLWZGXGLJVBZJW-UHFFFAOYSA-N 0 0 323.458 2.493 10 30 DEEERN COC(=O)[C@H](OC(=O)CCOCC(C)C)c1cccc(C#N)c1 ZINC000751647591 639101911 /nfs/dbraw/zinc/10/19/11/639101911.db2.gz UEDGPPAQSSGJTK-MRXNPFEDSA-N 0 0 319.357 2.378 10 30 DEEERN COc1ccc(CNC(=O)[C@H](C)c2c(C)n[nH]c2C)cc1C#N ZINC000752615284 639203010 /nfs/dbraw/zinc/20/30/10/639203010.db2.gz ICZRTYHAOGISBZ-SNVBAGLBSA-N 0 0 312.373 2.327 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1cnc(Cl)c(OC)c1)C(C)(C)C ZINC000805147234 639841882 /nfs/dbraw/zinc/84/18/82/639841882.db2.gz UNEQODWBJZDVLP-LLVKDONJSA-N 0 0 316.810 2.070 10 30 DEEERN C=C(CNC(=O)/C=C/c1cncc(C(=O)NC)c1)c1ccccc1 ZINC000805249963 640434187 /nfs/dbraw/zinc/43/41/87/640434187.db2.gz IFPCOBITRVJJKN-CMDGGOBGSA-N 0 0 321.380 2.284 10 30 DEEERN C=C(CNC(=O)/C=C\c1cncc(C(=O)NC)c1)c1ccccc1 ZINC000805249964 640434451 /nfs/dbraw/zinc/43/44/51/640434451.db2.gz IFPCOBITRVJJKN-HJWRWDBZSA-N 0 0 321.380 2.284 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCn2ccnc2C1 ZINC000805310417 640810198 /nfs/dbraw/zinc/81/01/98/640810198.db2.gz MQRMWZPGCSKFRV-IAGOWNOFSA-N 0 0 322.412 2.132 10 30 DEEERN Cc1nc2c(nccc2C(=O)NCc2cc(C#N)ccc2F)[nH]1 ZINC000435456227 642204747 /nfs/dbraw/zinc/20/47/47/642204747.db2.gz FOQVNKKUDMDCMI-UHFFFAOYSA-N 0 0 309.304 2.207 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1COC ZINC000805781578 643247373 /nfs/dbraw/zinc/24/73/73/643247373.db2.gz AMCHHRMRNWTACB-DLBZAZTESA-N 0 0 300.402 2.441 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)O[C@H]1CC(=O)N(C)[C@H]1C ZINC000806069683 644504101 /nfs/dbraw/zinc/50/41/01/644504101.db2.gz BBOXYVOJMMPQKW-FZMZJTMJSA-N 0 0 319.357 2.036 10 30 DEEERN C=CC[C@H](C(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1)c1ccccc1 ZINC000909177705 645118386 /nfs/dbraw/zinc/11/83/86/645118386.db2.gz FHXJPKNXDNMRJY-YVSFHVDLSA-N 0 0 311.385 2.034 10 30 DEEERN C=CCn1c([C@@H](C)CC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000800780950 645303522 /nfs/dbraw/zinc/30/35/22/645303522.db2.gz OTMFODLQPCZNNI-ZFWWWQNUSA-N 0 0 314.437 2.154 10 30 DEEERN C[C@@H](NC(=O)N1CCO[C@H](C(F)F)C1)c1cccc(C#N)c1 ZINC000801027720 645332705 /nfs/dbraw/zinc/33/27/05/645332705.db2.gz XKFOFYDRMZNXAS-MFKMUULPSA-N 0 0 309.316 2.295 10 30 DEEERN C#C[C@H](NC(=O)N1CC[C@](F)(c2ccccc2)C1)[C@H]1CCCO1 ZINC000801052298 645335718 /nfs/dbraw/zinc/33/57/18/645335718.db2.gz ZXHXMRLFISVPBO-LZLYRXPVSA-N 0 0 316.376 2.448 10 30 DEEERN C#Cc1ccc(C(=O)N2CCC[C@](CO)(c3ccccc3)C2)nc1 ZINC000801131598 645344185 /nfs/dbraw/zinc/34/41/85/645344185.db2.gz KEXROERVSQJPJX-FQEVSTJZSA-N 0 0 320.392 2.229 10 30 DEEERN COc1cc(C#N)ccc1NC(=O)N1CCO[C@@H](C(F)F)C1 ZINC000801715515 645433295 /nfs/dbraw/zinc/43/32/95/645433295.db2.gz UYCSCBXHDRKLLG-GFCCVEGCSA-N 0 0 311.288 2.065 10 30 DEEERN C#C[C@H](NC(=O)Nc1ncc(C(F)(F)F)s1)[C@H]1CCCO1 ZINC000801756391 645438074 /nfs/dbraw/zinc/43/80/74/645438074.db2.gz FVORIPNBFVHEBW-JGVFFNPUSA-N 0 0 319.308 2.464 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC000802602635 645535788 /nfs/dbraw/zinc/53/57/88/645535788.db2.gz LVEHYFGFIJACDH-OAHLLOKOSA-N 0 0 314.437 2.154 10 30 DEEERN C#C[C@@H](C)Oc1ccc(COC(=O)c2cn(CCC)nn2)cc1 ZINC000802809606 645562070 /nfs/dbraw/zinc/56/20/70/645562070.db2.gz LPSAUCWSJZLTRS-CYBMUJFWSA-N 0 0 313.357 2.446 10 30 DEEERN CNc1ccc(C#N)cc1NC(=O)[C@H]1CCCC12OCCO2 ZINC000803309521 645634056 /nfs/dbraw/zinc/63/40/56/645634056.db2.gz ZDKYKBDBKLWCCG-GFCCVEGCSA-N 0 0 301.346 2.082 10 30 DEEERN N#CC1CCC(CNC(=O)C(F)(F)C2(O)CCCC2)CC1 ZINC000803359709 645640534 /nfs/dbraw/zinc/64/05/34/645640534.db2.gz IMGAXCGSLCSROM-UHFFFAOYSA-N 0 0 300.349 2.373 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCC(=O)c1cnn(C)c1 ZINC000803524612 645668503 /nfs/dbraw/zinc/66/85/03/645668503.db2.gz SJCPZLCEZJIGTC-KRWDZBQOSA-N 0 0 323.396 2.134 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000803698211 645681087 /nfs/dbraw/zinc/68/10/87/645681087.db2.gz IPFFPMQUFJPTBZ-CYBMUJFWSA-N 0 0 313.353 2.228 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000803698215 645681873 /nfs/dbraw/zinc/68/18/73/645681873.db2.gz IQZQLQBSRKHPGK-OAHLLOKOSA-N 0 0 311.381 2.206 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1cc(C(=O)OC)oc1CC ZINC000803699339 645681929 /nfs/dbraw/zinc/68/19/29/645681929.db2.gz ZRIMFUZTZVCMMF-UHFFFAOYSA-N 0 0 302.326 2.335 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000803700546 645682387 /nfs/dbraw/zinc/68/23/87/645682387.db2.gz VBRWYKODTTZTHL-HOCLYGCPSA-N 0 0 303.402 2.230 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1cc([N+](=O)[O-])ccc1OC ZINC000803700157 645682596 /nfs/dbraw/zinc/68/25/96/645682596.db2.gz DSUHPLFPKPZAMH-UHFFFAOYSA-N 0 0 301.298 2.309 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1cc(-c2cnn(C)c2C)no1 ZINC000803700457 645682673 /nfs/dbraw/zinc/68/26/73/645682673.db2.gz QRVRSAJVLLMCPX-UHFFFAOYSA-N 0 0 311.341 2.090 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000803700388 645682726 /nfs/dbraw/zinc/68/27/26/645682726.db2.gz NRDWOFHVSCSXSJ-IIAWOOMASA-N 0 0 303.402 2.276 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C(=O)OC)c1ccccc1F ZINC000803701628 645682792 /nfs/dbraw/zinc/68/27/92/645682792.db2.gz ZTGZCOXQFOEZOC-OAHLLOKOSA-N 0 0 302.301 2.246 10 30 DEEERN CC(=O)[C@@H](Cc1ccccc1F)OC(=O)c1cc(C#N)ccn1 ZINC000803850319 645705021 /nfs/dbraw/zinc/70/50/21/645705021.db2.gz GWZIQCSDDIZXOC-MRXNPFEDSA-N 0 0 312.300 2.449 10 30 DEEERN C=CCOC[C@H]1NC(=O)N(CCSCc2ccccc2)C1=O ZINC000804143996 645731957 /nfs/dbraw/zinc/73/19/57/645731957.db2.gz TVXGWIHCKLJMGD-CQSZACIVSA-N 0 0 320.414 2.043 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cn(C)c(C)cc1=O ZINC000804453116 645772854 /nfs/dbraw/zinc/77/28/54/645772854.db2.gz BTRVMIQSJSOJKU-INIZCTEOSA-N 0 0 308.381 2.058 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccccc1 ZINC000804453587 645772891 /nfs/dbraw/zinc/77/28/91/645772891.db2.gz FWCVBVRJTLPCOL-QGZVFWFLSA-N 0 0 306.365 2.376 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000804454611 645774028 /nfs/dbraw/zinc/77/40/28/645774028.db2.gz ROMWKDHLZFBWKE-GVDBMIGSSA-N 0 0 312.413 2.029 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC000804454762 645774320 /nfs/dbraw/zinc/77/43/20/645774320.db2.gz AABLEHRVHRYPJI-PBHICJAKSA-N 0 0 324.380 2.149 10 30 DEEERN COc1cnc(NC(=O)NCc2ccc(OC)c(C#N)c2)s1 ZINC000806515184 645839340 /nfs/dbraw/zinc/83/93/40/645839340.db2.gz PIZNCBFWDBKSLB-UHFFFAOYSA-N 0 0 318.358 2.354 10 30 DEEERN C#C[C@H](N[C@H](C(=O)OC)c1cccc(C(=O)OC)c1)C(C)(C)C ZINC000806622297 645853917 /nfs/dbraw/zinc/85/39/17/645853917.db2.gz HRLIQIVQQLHPOA-GJZGRUSLSA-N 0 0 317.385 2.325 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000806848946 645879911 /nfs/dbraw/zinc/87/99/11/645879911.db2.gz ZQTACBVRXUNAPD-HNNXBMFYSA-N 0 0 316.445 2.050 10 30 DEEERN C#CCOc1ccccc1NC(=O)CO[C@H](C)c1nccn1C ZINC000807275510 645934475 /nfs/dbraw/zinc/93/44/75/645934475.db2.gz HKFGUDFPCPEQTR-CYBMUJFWSA-N 0 0 313.357 2.148 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@](C)(O)CSC ZINC000807466669 645954331 /nfs/dbraw/zinc/95/43/31/645954331.db2.gz YQAPPPNWUCLVAD-RDJZCZTQSA-N 0 0 320.458 2.034 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](CO)C(C)C ZINC000807470082 645954398 /nfs/dbraw/zinc/95/43/98/645954398.db2.gz NYHHKQAHPUSQDY-IAGOWNOFSA-N 0 0 302.418 2.185 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCc2c[nH]nc2C1 ZINC000807469854 645954712 /nfs/dbraw/zinc/95/47/12/645954712.db2.gz JWEHEWNNHJYTQX-INIZCTEOSA-N 0 0 308.385 2.112 10 30 DEEERN C=CCN(C(=O)C(=O)N[C@@H]1CCCc2nc(C)sc21)C(C)C ZINC000807646315 645974210 /nfs/dbraw/zinc/97/42/10/645974210.db2.gz RJFNYDWEACQUNW-CYBMUJFWSA-N 0 0 321.446 2.368 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)Cc2cn3ccsc3n2)c1 ZINC000171078712 646684823 /nfs/dbraw/zinc/68/48/23/646684823.db2.gz IEGKGMWYHZSIJL-UHFFFAOYSA-N 0 0 324.409 2.448 10 30 DEEERN C=C(C)COC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000171482764 646701739 /nfs/dbraw/zinc/70/17/39/646701739.db2.gz GIWLTKGZPPCKKN-AATRIKPKSA-N 0 0 301.346 2.438 10 30 DEEERN C#CCCCNC(=O)[C@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000172922723 646754475 /nfs/dbraw/zinc/75/44/75/646754475.db2.gz MEANUPOUMRDHLP-GOEBONIOSA-N 0 0 300.402 2.361 10 30 DEEERN CC(C)=CC(=O)NCc1ccc(C(=O)N[C@H](C#N)C2CC2)cc1 ZINC000173261978 646763998 /nfs/dbraw/zinc/76/39/98/646763998.db2.gz PRYIVRVVGFFWLF-MRXNPFEDSA-N 0 0 311.385 2.301 10 30 DEEERN C#CCOc1ccc(NC(=O)C(=O)NCC2CCCCC2)cc1 ZINC000731122679 647449647 /nfs/dbraw/zinc/44/96/47/647449647.db2.gz CVHJTUIUKZWGDJ-UHFFFAOYSA-N 0 0 314.385 2.334 10 30 DEEERN C/C(=C\C(=O)NC1CCN(CC#N)CC1)c1cccc(F)c1 ZINC000731990607 647532435 /nfs/dbraw/zinc/53/24/35/647532435.db2.gz HGLNJBAENNTIMX-ACCUITESSA-N 0 0 301.365 2.333 10 30 DEEERN N#C[C@@H]1CN(C(=O)C2(c3ccccc3)CCC2)CCN1C1CC1 ZINC000732648711 647635894 /nfs/dbraw/zinc/63/58/94/647635894.db2.gz TYTPTIVWEBXFAD-QGZVFWFLSA-N 0 0 309.413 2.307 10 30 DEEERN N#C[C@@H]1CN(Cn2ccc(-c3cccs3)n2)CCN1C1CC1 ZINC000732666386 647638062 /nfs/dbraw/zinc/63/80/62/647638062.db2.gz RHKKASCZUDNVAY-CQSZACIVSA-N 0 0 313.430 2.241 10 30 DEEERN C[C@@H](Cc1ccsc1)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732673591 647640003 /nfs/dbraw/zinc/64/00/03/647640003.db2.gz AFZHJCFHJVEDRS-WFASDCNBSA-N 0 0 318.446 2.061 10 30 DEEERN N#CC1(C(=O)OCc2noc(-c3ccccc3)n2)CCOCC1 ZINC000733105832 647874023 /nfs/dbraw/zinc/87/40/23/647874023.db2.gz UKPTZKIWFADKQC-UHFFFAOYSA-N 0 0 313.313 2.100 10 30 DEEERN CC#CCOC(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000175475953 648350151 /nfs/dbraw/zinc/35/01/51/648350151.db2.gz LEVQGNFKENKORI-UHFFFAOYSA-N 0 0 304.365 2.148 10 30 DEEERN COCCOc1cc(C(=O)OCC#Cc2ccccc2)ccn1 ZINC000179936621 648438305 /nfs/dbraw/zinc/43/83/05/648438305.db2.gz INZMYLIZNSPVMB-UHFFFAOYSA-N 0 0 311.337 2.315 10 30 DEEERN N#CC1(c2ccc(C(=O)OCCNc3cccnn3)cc2)CC1 ZINC000180070582 648456876 /nfs/dbraw/zinc/45/68/76/648456876.db2.gz WKNKDXOEMPMRMF-UHFFFAOYSA-N 0 0 308.341 2.301 10 30 DEEERN C=CCC[C@@H](C)OC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000180162416 648469362 /nfs/dbraw/zinc/46/93/62/648469362.db2.gz CHOBEFYNTOQIKM-GFCCVEGCSA-N 0 0 308.378 2.139 10 30 DEEERN C=C[C@@H](CC)OC(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000181241270 648590508 /nfs/dbraw/zinc/59/05/08/648590508.db2.gz MVSPOPKGHRWPCX-AWEZNQCLSA-N 0 0 309.387 2.348 10 30 DEEERN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)OC(C)(C)C#N ZINC000181853879 648767460 /nfs/dbraw/zinc/76/74/60/648767460.db2.gz HSSDXYGLQPUDBF-UHFFFAOYSA-N 0 0 303.284 2.450 10 30 DEEERN C=C(CSc1ccc(S(C)(=O)=O)cc1)C(=O)OCC ZINC000070380929 648910848 /nfs/dbraw/zinc/91/08/48/648910848.db2.gz APTXXKDGHKBXAZ-UHFFFAOYSA-N 0 0 300.401 2.302 10 30 DEEERN CS(=O)(=O)c1csc(C(=O)OCC2(C#N)CCCC2)c1 ZINC000183881594 649191625 /nfs/dbraw/zinc/19/16/25/649191625.db2.gz CJIBFFSPUQHZDY-UHFFFAOYSA-N 0 0 313.400 2.392 10 30 DEEERN C#CCCNC(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000733355725 649553271 /nfs/dbraw/zinc/55/32/71/649553271.db2.gz HLBOWFCNUOIUKP-UHFFFAOYSA-N 0 0 307.781 2.381 10 30 DEEERN C#CCCNC(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000733355938 649553939 /nfs/dbraw/zinc/55/39/39/649553939.db2.gz GMCCSJNAZWXNOR-UHFFFAOYSA-N 0 0 319.449 2.224 10 30 DEEERN C#CCOc1cccc(COC(=O)[C@@H](C)OC[C@@H]2CCCO2)c1 ZINC000107021515 651408275 /nfs/dbraw/zinc/40/82/75/651408275.db2.gz HIIPVIHMQHNGLU-PBHICJAKSA-N 0 0 318.369 2.326 10 30 DEEERN Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC000855977371 651821660 /nfs/dbraw/zinc/82/16/60/651821660.db2.gz IYCMIZDZEQICQA-XJKSGUPXSA-N 0 0 303.406 2.054 10 30 DEEERN C[C@H](OC[C@@H]1CCCO1)C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000079212288 683971481 /nfs/dbraw/zinc/97/14/81/683971481.db2.gz BRJBMHJCKGGLHQ-XIRDDKMYSA-N 0 0 317.385 2.496 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000081665101 683993540 /nfs/dbraw/zinc/99/35/40/683993540.db2.gz RAWWAIVGUBEKRV-UHFFFAOYSA-N 0 0 308.385 2.427 10 30 DEEERN C#CCOc1cccc(COC(=O)CCOC2CCOCC2)c1 ZINC000084694527 684004922 /nfs/dbraw/zinc/00/49/22/684004922.db2.gz BQFUFWILNQIWRR-UHFFFAOYSA-N 0 0 318.369 2.328 10 30 DEEERN CC(C)NC(=O)[C@@H](C#N)C(=O)C[C@H]1CCOc2ccccc21 ZINC000118143025 684069811 /nfs/dbraw/zinc/06/98/11/684069811.db2.gz PMWVMHADPYROSM-OCCSQVGLSA-N 0 0 300.358 2.176 10 30 DEEERN N#C[C@@H](C(=O)C[C@@H]1CCOc2ccccc21)C(=O)N1CCCC1 ZINC000118141790 684070202 /nfs/dbraw/zinc/07/02/02/684070202.db2.gz GGHBVJKSOYMQAN-ZFWWWQNUSA-N 0 0 312.369 2.274 10 30 DEEERN Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(C#N)cc1C ZINC000129537488 684179807 /nfs/dbraw/zinc/17/98/07/684179807.db2.gz PTTDTBWHSITLAX-UHFFFAOYSA-N 0 0 314.301 2.137 10 30 DEEERN COc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCCSC ZINC000131028007 684195761 /nfs/dbraw/zinc/19/57/61/684195761.db2.gz YKXLMZAFZNASPF-NSHDSACASA-N 0 0 306.387 2.486 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)C(C)(C)CCC(C)=O)c1 ZINC000131294793 684198388 /nfs/dbraw/zinc/19/83/88/684198388.db2.gz FENPSFBYLFGLHF-UHFFFAOYSA-N 0 0 314.385 2.118 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CSCN1C(C)=O ZINC000132798210 684213582 /nfs/dbraw/zinc/21/35/82/684213582.db2.gz NDPOSYQWTRZWET-HNNXBMFYSA-N 0 0 322.405 2.262 10 30 DEEERN C#CCCCCNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000156304505 684288758 /nfs/dbraw/zinc/28/87/58/684288758.db2.gz KNMQZFICWJTVEV-UHFFFAOYSA-N 0 0 302.349 2.486 10 30 DEEERN C=CCC[C@H](OC(=O)Cc1ccc(-n2cnnn2)cc1)C1CC1 ZINC000159735849 684320870 /nfs/dbraw/zinc/32/08/70/684320870.db2.gz QWYUDVSHUXFUCU-INIZCTEOSA-N 0 0 312.373 2.493 10 30 DEEERN CC1(CNC(=O)c2ccc(C3(C#N)CC3)cc2)OCCCO1 ZINC000191103205 684421514 /nfs/dbraw/zinc/42/15/14/684421514.db2.gz NEYWHFLQNUIOQO-UHFFFAOYSA-N 0 0 300.358 2.125 10 30 DEEERN C=C(CSc1nnc2n(C)c3ccccc3n12)C(=O)OCC ZINC000191171545 684422857 /nfs/dbraw/zinc/42/28/57/684422857.db2.gz YPTGOBGUANGKBC-UHFFFAOYSA-N 0 0 316.386 2.432 10 30 DEEERN CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246051898 685122146 /nfs/dbraw/zinc/12/21/46/685122146.db2.gz WETIIWJSBLTQTC-QJPTWQEYSA-N 0 0 306.312 2.302 10 30 DEEERN COc1cccc([C@@H]2C[C@H]2C(=O)[C@H](C#N)C(=O)NC(C)C)c1 ZINC000246390847 685129122 /nfs/dbraw/zinc/12/91/22/685129122.db2.gz VQPSXFAQDAQQMK-ZNMIVQPWSA-N 0 0 300.358 2.032 10 30 DEEERN Cc1ccc(NC[C@@H]2CC(=O)N(C)[C@H]2c2ccncc2)nc1C#N ZINC000886040573 691990453 /nfs/dbraw/zinc/99/04/53/691990453.db2.gz XUKARUQFZFZXKJ-KSSFIOAISA-N 0 0 321.384 2.288 10 30 DEEERN CCn1cc([C@@H]2OCCC[C@H]2CNc2nccc(C#N)n2)cn1 ZINC000886074679 691998001 /nfs/dbraw/zinc/99/80/01/691998001.db2.gz MYPFYAVJMJKMDJ-SWLSCSKDSA-N 0 0 312.377 2.144 10 30 DEEERN CC(=O)N1C[C@@H](Nc2ccc(C#N)cn2)CC[C@@H]1C(F)(F)F ZINC000886088770 692000621 /nfs/dbraw/zinc/00/06/21/692000621.db2.gz UZKBZCJLOOWBTO-NWDGAFQWSA-N 0 0 312.295 2.307 10 30 DEEERN COc1ccc(C=C(C)C(O)=C(C#N)C(=O)NC2CC2)cc1F ZINC000588447669 777209949 /nfs/dbraw/zinc/20/99/49/777209949.db2.gz NPOGHGILKAZIQU-SZNGSJQDSA-N 0 0 316.332 2.225 10 30 DEEERN C#C[C@@H](C)NS(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000588596955 777567876 /nfs/dbraw/zinc/56/78/76/777567876.db2.gz MIZLBAFQKTYAOT-HSTULFTRSA-N 0 0 314.204 2.361 10 30 DEEERN N#Cc1ccc(-c2nnc(COC(=O)C3=COCCC3)o2)cc1 ZINC000744988245 784650685 /nfs/dbraw/zinc/65/06/85/784650685.db2.gz VFPHQUXFBMRKPF-UHFFFAOYSA-N 0 0 311.297 2.346 10 30 DEEERN N#Cc1ccc(CCC(=O)N2CC(Oc3nccs3)C2)cc1 ZINC000218777267 789642904 /nfs/dbraw/zinc/64/29/04/789642904.db2.gz GRISNUIORDFMCM-UHFFFAOYSA-N 0 0 313.382 2.237 10 30 DEEERN C#CC[C@H](COC)NS(=O)(=O)c1cc(C)c(Cl)s1 ZINC000716877020 793020663 /nfs/dbraw/zinc/02/06/63/793020663.db2.gz CAKWVFOSLXCRDY-SECBINFHSA-N 0 0 307.824 2.027 10 30 DEEERN C=C(C)COc1cccc(NC(=O)[C@@H](NC(N)=O)C(C)C)c1 ZINC000067178362 1079876642 /nfs/dbraw/zinc/87/66/42/1079876642.db2.gz TTWFJHKWIJIISG-AWEZNQCLSA-N 0 0 305.378 2.273 10 30 DEEERN C#CCOc1ccc(Br)cc1CNc1cn(C)nn1 ZINC000701762256 1086384052 /nfs/dbraw/zinc/38/40/52/1086384052.db2.gz YCDAREOFCOGSSF-UHFFFAOYSA-N 0 0 321.178 2.202 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NCC[C@@H]2CCSC2)s1 ZINC000704919506 1086597042 /nfs/dbraw/zinc/59/70/42/1086597042.db2.gz SXHXDXRLRKGGLV-SECBINFHSA-N 0 0 302.446 2.041 10 30 DEEERN C#CC1(O)CCN(C(=O)c2cccc(Br)c2C)CC1 ZINC000708135995 1086676852 /nfs/dbraw/zinc/67/68/52/1086676852.db2.gz ANIFJGPHHDFXKY-UHFFFAOYSA-N 0 0 322.202 2.358 10 30 DEEERN C#C[C@H](CO)NC(=O)c1cc(Cl)c(C)cc1Br ZINC000718123606 1088222624 /nfs/dbraw/zinc/22/26/24/1088222624.db2.gz SAIUXLLIPUMKTC-MRVPVSSYSA-N 0 0 316.582 2.135 10 30 DEEERN CO[C@@H](CNC(=O)NCCOc1ccc(C#N)cc1)C(C)(C)C ZINC000074736892 185015523 /nfs/dbraw/zinc/01/55/23/185015523.db2.gz XSVUQBZDBOZJDI-HNNXBMFYSA-N 0 0 319.405 2.297 10 30 DEEERN C[C@H]1CC[C@H](C)N(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000076729909 185035596 /nfs/dbraw/zinc/03/55/96/185035596.db2.gz ZKNCTIYOYGZBSM-QWRGUYRKSA-N 0 0 303.337 2.283 10 30 DEEERN C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCO[C@H](CCF)C1 ZINC000624841918 365568128 /nfs/dbraw/zinc/56/81/28/365568128.db2.gz CZAXOZQJIXJEEO-MGPQQGTHSA-N 0 0 324.400 2.269 10 30 DEEERN C=CC[C@@H](C)NS(=O)(=O)CCSc1ccccc1N ZINC000162472252 197568957 /nfs/dbraw/zinc/56/89/57/197568957.db2.gz OEMFYWIXIGAYLB-LLVKDONJSA-N 0 0 300.449 2.245 10 30 DEEERN C=C(C)Cn1c(N2CCO[C@](C)(COC)C2)nnc1C(C)(C)C ZINC000624965732 365602284 /nfs/dbraw/zinc/60/22/84/365602284.db2.gz FTZDWUINEAYRKZ-KRWDZBQOSA-N 0 0 322.453 2.393 10 30 DEEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC000624999462 365610242 /nfs/dbraw/zinc/61/02/42/365610242.db2.gz YSNVIHNMEPPDKR-CQSZACIVSA-N 0 0 320.347 2.480 10 30 DEEERN C=CC[C@H]1CCCN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1 ZINC000625028599 365621737 /nfs/dbraw/zinc/62/17/37/365621737.db2.gz VNWHCJMRKZGIAK-ZFWWWQNUSA-N 0 0 305.422 2.138 10 30 DEEERN C=CCCN(C)S(=O)(=O)C[C@@H](OC)c1ccc(F)cc1 ZINC000625143799 365659435 /nfs/dbraw/zinc/65/94/35/365659435.db2.gz JPKVPUURZLMCHU-CQSZACIVSA-N 0 0 301.383 2.351 10 30 DEEERN C=CCN(C(C)=O)[C@@H](C)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000096775551 185387098 /nfs/dbraw/zinc/38/70/98/185387098.db2.gz DWTLSGDNIIXEEZ-WDEREUQCSA-N 0 0 316.357 2.012 10 30 DEEERN C=CCN(CCOC)c1nnc([C@@]2(C)CCCO2)n1CC1CC1 ZINC000612944879 361958234 /nfs/dbraw/zinc/95/82/34/361958234.db2.gz HWCPKGBJLGLWDW-QGZVFWFLSA-N 0 0 320.437 2.353 10 30 DEEERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C#N)CC ZINC000245644449 529400669 /nfs/dbraw/zinc/40/06/69/529400669.db2.gz LERWQXZAQCFOLX-BPLDGKMQSA-N 0 0 301.390 2.249 10 30 DEEERN N#Cc1cccc(C(=O)N2CCCN(c3ccccc3)C(=O)C2)c1 ZINC000082357791 185177781 /nfs/dbraw/zinc/17/77/81/185177781.db2.gz GSRXFROGKBSCHK-UHFFFAOYSA-N 0 0 319.364 2.437 10 30 DEEERN COc1ccc(C#CCCO)c(CSc2nnc(C)o2)c1 ZINC000087788963 185232071 /nfs/dbraw/zinc/23/20/71/185232071.db2.gz UZRKNEQEUCEKDU-UHFFFAOYSA-N 0 0 304.371 2.413 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3CCC[C@@H]32)c(N)c1 ZINC000087766399 185231385 /nfs/dbraw/zinc/23/13/85/185231385.db2.gz MMUVFUZTTYGNEG-OCCSQVGLSA-N 0 0 305.403 2.094 10 30 DEEERN COc1ccc(C#CCO)c(CSc2cc(C)nn2C)c1 ZINC000087788980 185232284 /nfs/dbraw/zinc/23/22/84/185232284.db2.gz UJTQIOFRQPVOHS-UHFFFAOYSA-N 0 0 302.399 2.373 10 30 DEEERN N#Cc1ccc(NC(=O)[C@H]2CSCN2)cc1C(F)(F)F ZINC000088191434 185241156 /nfs/dbraw/zinc/24/11/56/185241156.db2.gz ZESOUGDUQXNPSD-SNVBAGLBSA-N 0 0 301.293 2.178 10 30 DEEERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(C#N)cc1 ZINC000088333678 185246236 /nfs/dbraw/zinc/24/62/36/185246236.db2.gz OMPJVIGBNPKFLF-ZDUSSCGKSA-N 0 0 310.361 2.369 10 30 DEEERN CN(CCC(F)(F)F)C(=O)c1ccc(C#CCO)cc1F ZINC000088436677 185250534 /nfs/dbraw/zinc/25/05/34/185250534.db2.gz BMKLEOXTYAMZLM-UHFFFAOYSA-N 0 0 303.255 2.194 10 30 DEEERN N#CC1(C(=O)Nc2ncccc2Br)CCOCC1 ZINC000088447205 185251202 /nfs/dbraw/zinc/25/12/02/185251202.db2.gz OTIMHYMWRUZNBV-UHFFFAOYSA-N 0 0 310.151 2.103 10 30 DEEERN C=C(C)CCNS(=O)(=O)C[C@@H](Cc1ccc(F)cc1)OC ZINC000625237807 365693851 /nfs/dbraw/zinc/69/38/51/365693851.db2.gz KRYUOODURKQXND-OAHLLOKOSA-N 0 0 315.410 2.269 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1cc(C)n(C2CCOCC2)c1C ZINC000613253026 362058074 /nfs/dbraw/zinc/05/80/74/362058074.db2.gz MLTXTNYTHOBWTQ-OAHLLOKOSA-N 0 0 320.433 2.371 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000613291145 362071509 /nfs/dbraw/zinc/07/15/09/362071509.db2.gz KISOUTGKNYWQQX-PMPSAXMXSA-N 0 0 310.438 2.167 10 30 DEEERN CC(=O)Nc1cccc(OCC#CCNC(=O)CC(C)C)c1 ZINC000090731958 185311589 /nfs/dbraw/zinc/31/15/89/185311589.db2.gz UKNABCVSJGAPJQ-UHFFFAOYSA-N 0 0 302.374 2.190 10 30 DEEERN O=C(NCC#CCOc1cccnc1)c1ccc(F)cc1F ZINC000090734275 185311643 /nfs/dbraw/zinc/31/16/43/185311643.db2.gz RJBYASFIWCQAKE-UHFFFAOYSA-N 0 0 302.280 2.172 10 30 DEEERN CCNC(=O)NCC#CCOc1cccc(Br)c1 ZINC000090731380 185311644 /nfs/dbraw/zinc/31/16/44/185311644.db2.gz KTIUUEFLGOTOAQ-UHFFFAOYSA-N 0 0 311.179 2.150 10 30 DEEERN C[C@@H]1C[C@@H]1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092423296 185317203 /nfs/dbraw/zinc/31/72/03/185317203.db2.gz ZROAYCYKZRAVFI-WPPJOMGTSA-N 0 0 314.389 2.351 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000613552898 362145743 /nfs/dbraw/zinc/14/57/43/362145743.db2.gz PZPAVWZMEHLJJJ-SOUVJXGZSA-N 0 0 310.438 2.166 10 30 DEEERN C#CCNCC(=O)Nc1c2nsnc2c(Cl)cc1Cl ZINC000092492504 185321942 /nfs/dbraw/zinc/32/19/42/185321942.db2.gz XQXJTZYKKVAVJK-UHFFFAOYSA-N 0 0 315.185 2.159 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cnc3onc(C)c3c2)C1 ZINC000625349645 365740886 /nfs/dbraw/zinc/74/08/86/365740886.db2.gz DAOYCGFVDGUIGV-NSHDSACASA-N 0 0 307.375 2.118 10 30 DEEERN CCc1nc(C(C)(C)NC(=O)NCc2ccc(C#N)cc2)no1 ZINC000442158936 529712291 /nfs/dbraw/zinc/71/22/91/529712291.db2.gz CEYKBMYJRVIYQB-UHFFFAOYSA-N 0 0 313.361 2.238 10 30 DEEERN C=CCCN(C)C(=O)CN1CC[C@@H](c2ccccc2)NC1=O ZINC000613842593 362230063 /nfs/dbraw/zinc/23/00/63/362230063.db2.gz PKEVHMVWAAGPAQ-HNNXBMFYSA-N 0 0 301.390 2.178 10 30 DEEERN CN(CC(=O)NCc1cccs1)C(=O)[C@@]1(C)CCCNC1=O ZINC000330306303 529819476 /nfs/dbraw/zinc/81/94/76/529819476.db2.gz LFOBKFYRLLXPRL-HNNXBMFYSA-N 0 0 323.418 2.420 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc2c(n1)CCCC2 ZINC000614053192 362272484 /nfs/dbraw/zinc/27/24/84/362272484.db2.gz CAOUDQJGFQURMK-KRWDZBQOSA-N 0 0 315.417 2.048 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCc1ccc2c(c1)[nH]ccc2=O ZINC000614163327 362303292 /nfs/dbraw/zinc/30/32/92/362303292.db2.gz BEIWQHBXNROBQD-SFHVURJKSA-N 0 0 314.385 2.373 10 30 DEEERN CN(C)C(=O)c1ccc(/C=C/C(=O)N2CCC(C#N)CC2)cc1 ZINC000041110535 190666830 /nfs/dbraw/zinc/66/68/30/190666830.db2.gz ODGAQAJZKGJZTG-VMPITWQZSA-N 0 0 311.385 2.164 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c(C2CCC2)cnn1C ZINC000614373223 362365811 /nfs/dbraw/zinc/36/58/11/362365811.db2.gz QBEQUIBKLNIROU-CZUORRHYSA-N 0 0 303.406 2.399 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)C2CCC(C3CC3)CC2)C1=O ZINC000614394522 362370101 /nfs/dbraw/zinc/37/01/01/362370101.db2.gz RQWLAARBJUVMMO-UYSNPLJNSA-N 0 0 304.434 2.448 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)c1c(F)cncc1F ZINC000614797723 362463704 /nfs/dbraw/zinc/46/37/04/362463704.db2.gz OXOUYRSZQYKFMT-TVQRCGJNSA-N 0 0 311.332 2.008 10 30 DEEERN Cc1ccn2ncc(C(=O)N(C)Cc3ccc(C#N)cc3)c2n1 ZINC000068667339 190780108 /nfs/dbraw/zinc/78/01/08/190780108.db2.gz FRKOUGYVERAPND-UHFFFAOYSA-N 0 0 305.341 2.182 10 30 DEEERN COc1cc(F)ccc1N1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000115609221 185698351 /nfs/dbraw/zinc/69/83/51/185698351.db2.gz VUWWUZAHERUQOM-AWEZNQCLSA-N 0 0 316.380 2.400 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000277647405 213659838 /nfs/dbraw/zinc/65/98/38/213659838.db2.gz KNGSUFMOQJCJFZ-GOSISDBHSA-N 0 0 322.408 2.129 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)OC2(CCCC2)C1 ZINC000616504969 362875618 /nfs/dbraw/zinc/87/56/18/362875618.db2.gz DJVJOJSUXWVTAH-UKRRQHHQSA-N 0 0 308.422 2.017 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1Cc2cc(F)c(F)cc2C1 ZINC000616706501 362916265 /nfs/dbraw/zinc/91/62/65/362916265.db2.gz CAONYLSMLFBNIU-HNNXBMFYSA-N 0 0 308.328 2.278 10 30 DEEERN C[C@@H](NC(=O)[C@@H]1CCCS1)c1cccc(C#CCCO)c1 ZINC000070438001 190892536 /nfs/dbraw/zinc/89/25/36/190892536.db2.gz JUJPLZKMBSNWFK-CJNGLKHVSA-N 0 0 303.427 2.493 10 30 DEEERN C=CCN(Cc1cccc2cnccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000183154598 539659284 /nfs/dbraw/zinc/65/92/84/539659284.db2.gz FVTZWJDLMXXCJI-MRXNPFEDSA-N 0 0 316.426 2.410 10 30 DEEERN CC[C@H](C)N(CCOC)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000071140662 190935854 /nfs/dbraw/zinc/93/58/54/190935854.db2.gz JVFXAZYQRVTYTJ-NSHDSACASA-N 0 0 314.382 2.133 10 30 DEEERN N#CCCNC(=O)Cn1ccc2c1cccc2Br ZINC000130387495 185962053 /nfs/dbraw/zinc/96/20/53/185962053.db2.gz CNQOMZNYDGICSQ-UHFFFAOYSA-N 0 0 306.163 2.434 10 30 DEEERN Cc1nn(C)c(C)c1CCN1C(=O)c2ccc(F)cc2C1C#N ZINC000071678423 191005784 /nfs/dbraw/zinc/00/57/84/191005784.db2.gz BPACCANMHPCJFL-INIZCTEOSA-N 0 0 312.348 2.439 10 30 DEEERN COc1ccc2c(c1)[C@H](C#N)N(Cc1c(C)nn(C)c1C)C2=O ZINC000071678555 191006235 /nfs/dbraw/zinc/00/62/35/191006235.db2.gz HYDYPDMYEGPPOS-INIZCTEOSA-N 0 0 310.357 2.266 10 30 DEEERN Cc1ccc(C#CCO)c(C(=O)N2CCS[C@H](C)[C@@H]2C)c1 ZINC000133655482 186004181 /nfs/dbraw/zinc/00/41/81/186004181.db2.gz PLUBTIKGLXQWPS-UONOGXRCSA-N 0 0 303.427 2.305 10 30 DEEERN N#C[C@]1(NCc2cccs2)CCS(=O)(=O)c2ccccc21 ZINC000147671696 186040573 /nfs/dbraw/zinc/04/05/73/186040573.db2.gz ZLPHLVFKPOOJHJ-OAHLLOKOSA-N 0 0 318.423 2.434 10 30 DEEERN CC[C@@H](C#N)S(=O)(=O)NCc1sccc1Br ZINC000148262374 186044169 /nfs/dbraw/zinc/04/41/69/186044169.db2.gz APQFEZDDYZXYEL-ZETCQYMHSA-N 0 0 323.237 2.232 10 30 DEEERN CCOC(=O)c1c(N)n(-c2cccc(C#N)c2)nc1SC ZINC000149329135 186049236 /nfs/dbraw/zinc/04/92/36/186049236.db2.gz DFENPPIOXUDKIJ-UHFFFAOYSA-N 0 0 302.359 2.225 10 30 DEEERN N#Cc1cccnc1N1CCN(Cc2cccnc2Cl)CC1 ZINC000171076143 197875342 /nfs/dbraw/zinc/87/53/42/197875342.db2.gz NEWATYUXZSZMBF-UHFFFAOYSA-N 0 0 313.792 2.324 10 30 DEEERN O=S(=O)(Nc1ccc(F)c(C#CCO)c1)C1CCCCC1 ZINC000164400252 186158617 /nfs/dbraw/zinc/15/86/17/186158617.db2.gz NWUKQGFJSVDZDV-UHFFFAOYSA-N 0 0 311.378 2.244 10 30 DEEERN C#C[C@H](C)NC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000186007566 186231096 /nfs/dbraw/zinc/23/10/96/186231096.db2.gz CLJFCDDPHQUYGM-HOCLYGCPSA-N 0 0 314.385 2.173 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCc1cn(C)c2cc(F)ccc12 ZINC000186027129 186232690 /nfs/dbraw/zinc/23/26/90/186232690.db2.gz CXUPYBCEPMFLDL-CQSZACIVSA-N 0 0 319.380 2.096 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000617040883 363007017 /nfs/dbraw/zinc/00/70/17/363007017.db2.gz ZUPJTBXXYNATIY-DGCLKSJQSA-N 0 0 300.362 2.300 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(C(N)=O)cc1 ZINC000617037448 363007020 /nfs/dbraw/zinc/00/70/20/363007020.db2.gz NFJRNCSMIAYYAN-CJNGLKHVSA-N 0 0 316.401 2.415 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1nc(C2CC2)nn1C ZINC000617043795 363007801 /nfs/dbraw/zinc/00/78/01/363007801.db2.gz FABROCUGPBGUEM-TZMCWYRMSA-N 0 0 302.422 2.486 10 30 DEEERN C=CC(C)(C)C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 ZINC000617166508 363043738 /nfs/dbraw/zinc/04/37/38/363043738.db2.gz POMLUIIRSGGTPG-UHFFFAOYSA-N 0 0 322.430 2.373 10 30 DEEERN C=CCC1(C(=O)Nc2ccc3c(c2)CCNC3=O)CCOCC1 ZINC000617268397 363072319 /nfs/dbraw/zinc/07/23/19/363072319.db2.gz CKBVQMBGGDLJKR-UHFFFAOYSA-N 0 0 314.385 2.284 10 30 DEEERN CC(C)(C)CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000172072067 198035153 /nfs/dbraw/zinc/03/51/53/198035153.db2.gz SZYVASFWGZMDDZ-INIZCTEOSA-N 0 0 314.433 2.452 10 30 DEEERN C=CCCC1(CNC(=O)[C@H](C)N2CCN(C)CC2)CCCC1 ZINC000617417244 363127763 /nfs/dbraw/zinc/12/77/63/363127763.db2.gz RDGFRHISJVCAIY-INIZCTEOSA-N 0 0 307.482 2.265 10 30 DEEERN C=CCNC(=O)NC(=O)CSc1nc2cc(C)ccc2o1 ZINC000072626874 191203937 /nfs/dbraw/zinc/20/39/37/191203937.db2.gz YCHDNFQWWOLRRW-UHFFFAOYSA-N 0 0 305.359 2.240 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(Br)ccc1OC ZINC000315830401 539886033 /nfs/dbraw/zinc/88/60/33/539886033.db2.gz AISNYUQOXMUKOL-JTQLQIEISA-N 0 0 314.179 2.125 10 30 DEEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H](C)[C@@H]2CCOC2)cn1 ZINC000328768672 539910417 /nfs/dbraw/zinc/91/04/17/539910417.db2.gz GDJBWSYDLUVZOK-RJZRQDKASA-N 0 0 307.394 2.362 10 30 DEEERN Cn1ncc2c1C[C@@H](C(=O)NCC1(CO)CC3(CCC3)C1)CC2 ZINC000328832294 539911324 /nfs/dbraw/zinc/91/13/24/539911324.db2.gz RMGUFHHLYGSAMD-ZDUSSCGKSA-N 0 0 317.433 2.424 10 30 DEEERN O=C(Nc1ccc(N2CCCC2)nc1)N1CCc2cncnc2C1 ZINC000329445971 539920988 /nfs/dbraw/zinc/92/09/88/539920988.db2.gz NVNXFUUKZPLIAA-UHFFFAOYSA-N 0 0 324.388 2.076 10 30 DEEERN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(N)n[nH]3)sc2C1 ZINC000080636571 192177470 /nfs/dbraw/zinc/17/74/70/192177470.db2.gz UQWFLEFORBEPDK-SSDOTTSWSA-N 0 0 301.375 2.302 10 30 DEEERN C[C@H]1CCN2C(=O)N(Cc3ccc(C#N)cc3F)C(=O)[C@H]2C1 ZINC000617675166 363220454 /nfs/dbraw/zinc/22/04/54/363220454.db2.gz RKPPTFGCAOZULS-IINYFYTJSA-N 0 0 301.321 2.260 10 30 DEEERN N#Cc1ccc(CN2C(=O)N[C@@H](CC(F)(F)F)C2=O)c(F)c1 ZINC000617675036 363220727 /nfs/dbraw/zinc/22/07/27/363220727.db2.gz JEANITDYNMCFMZ-JTQLQIEISA-N 0 0 315.226 2.070 10 30 DEEERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCc1cccc(C#N)c1 ZINC000175753124 198505575 /nfs/dbraw/zinc/50/55/75/198505575.db2.gz WNCBCERRVRSDTC-KRWDZBQOSA-N 0 0 323.400 2.437 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2cc(C(=O)NC)ccc2OC)C1 ZINC000626287916 366136532 /nfs/dbraw/zinc/13/65/32/366136532.db2.gz SLNVNKHROIWBCU-LBPRGKRZSA-N 0 0 317.389 2.485 10 30 DEEERN N#Cc1ccc([C@H]([C@H](O)Cc2ccc(F)cc2)n2cncn2)cc1 ZINC000003604392 181039528 /nfs/dbraw/zinc/03/95/28/181039528.db2.gz SLJZVZKQYSKYNV-QZTJIDSGSA-N 0 0 322.343 2.482 10 30 in-man DEEERN O=C(CS)NCCCCCCNC(=O)Nc1ccccc1 ZINC000028120104 354098873 /nfs/dbraw/zinc/09/88/73/354098873.db2.gz ZOONFWOWCXQYQQ-UHFFFAOYSA-N 0 0 309.435 2.415 10 30 DEEERN C=CCOCC(=O)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000618075614 363368422 /nfs/dbraw/zinc/36/84/22/363368422.db2.gz WDDFKWBTXBIQRV-SNVBAGLBSA-N 0 0 315.295 2.362 10 30 DEEERN Cn1cc(C(=O)Nc2cc(C#N)ccn2)c(-c2cccnc2)n1 ZINC000618138296 363392177 /nfs/dbraw/zinc/39/21/77/363392177.db2.gz DTGUWEOMOICGFB-UHFFFAOYSA-N 0 0 304.313 2.001 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NCC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000408466863 283056827 /nfs/dbraw/zinc/05/68/27/283056827.db2.gz MRDBAFAFSHFLSZ-TUAOUCFPSA-N 0 0 303.328 2.069 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cc3c(cccc3F)[nH]2)CCN1C1CC1 ZINC000377665537 283060659 /nfs/dbraw/zinc/06/06/59/283060659.db2.gz CFJNZFHTYWIPHJ-GFCCVEGCSA-N 0 0 312.348 2.119 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)C1 ZINC000626588315 366235041 /nfs/dbraw/zinc/23/50/41/366235041.db2.gz QGRZNWZPVITHTM-LRDDRELGSA-N 0 0 315.373 2.341 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)C1=O ZINC000355672642 540083562 /nfs/dbraw/zinc/08/35/62/540083562.db2.gz YGBXUPGADSUTGQ-UTUOFQBUSA-N 0 0 318.339 2.210 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H](c1ccccc1)N1CCN(C)CC1 ZINC000076490888 355152223 /nfs/dbraw/zinc/15/22/23/355152223.db2.gz KJGANVWCYCGFAU-GOSISDBHSA-N 0 0 315.461 2.400 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000078025604 355241024 /nfs/dbraw/zinc/24/10/24/355241024.db2.gz SRNIQMMIIRTCEM-CQSZACIVSA-N 0 0 315.291 2.391 10 30 DEEERN C#CCn1c(CCOC)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000075315576 191462091 /nfs/dbraw/zinc/46/20/91/191462091.db2.gz PQCFTOXXFKFPGJ-NSHDSACASA-N 0 0 316.426 2.405 10 30 DEEERN C=C(C)COCCNC(=O)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000090140912 355558053 /nfs/dbraw/zinc/55/80/53/355558053.db2.gz IYSHMAFADSHMFS-AWEZNQCLSA-N 0 0 312.797 2.265 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCC(=O)NCC ZINC000110669972 355744265 /nfs/dbraw/zinc/74/42/65/355744265.db2.gz WAKUPVSLQOWMCK-UHFFFAOYSA-N 0 0 319.361 2.026 10 30 DEEERN COc1c2cnn(C)c2ncc1C(=O)Nc1cccc(C#N)c1 ZINC000181391571 356079458 /nfs/dbraw/zinc/07/94/58/356079458.db2.gz MRRIOXCJZAUCMM-UHFFFAOYSA-N 0 0 307.313 2.101 10 30 DEEERN N#Cc1ccc(NC(=O)c2cnn(CCC(F)(F)F)c2)nc1 ZINC000182601872 356133148 /nfs/dbraw/zinc/13/31/48/356133148.db2.gz QQDQLYIUDKVNAC-UHFFFAOYSA-N 0 0 309.251 2.354 10 30 DEEERN COc1cc(C)c(S(=O)(=O)NC2(C#N)CC2)cc1C(C)C ZINC000193717558 356229590 /nfs/dbraw/zinc/22/95/90/356229590.db2.gz OSTIEHZTKFMGTG-UHFFFAOYSA-N 0 0 308.403 2.462 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1nc2ccccc2n1C1CC1 ZINC000185223021 356204789 /nfs/dbraw/zinc/20/47/89/356204789.db2.gz ISIFRXHFWVWVLK-LBPRGKRZSA-N 0 0 314.389 2.107 10 30 DEEERN C[C@@H](CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1)N1CCCCC1=O ZINC000248987951 356326562 /nfs/dbraw/zinc/32/65/62/356326562.db2.gz VXRNHFYFVMMZLZ-JKIFEVAISA-N 0 0 305.422 2.366 10 30 DEEERN CCCNC(=O)c1ccc(NC(=O)c2cc(C#N)cn2C)cc1 ZINC000081034761 192217843 /nfs/dbraw/zinc/21/78/43/192217843.db2.gz PRVBKMAGQPNTRO-UHFFFAOYSA-N 0 0 310.357 2.289 10 30 DEEERN CCc1cnc(CCNC(=O)c2ccc(C#N)c(C)n2)s1 ZINC000081204519 192236632 /nfs/dbraw/zinc/23/66/32/192236632.db2.gz OHMAIQZECAMDLX-UHFFFAOYSA-N 0 0 300.387 2.253 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)c3ccc(C)nc3)C2)n1 ZINC000328611015 356459909 /nfs/dbraw/zinc/45/99/09/356459909.db2.gz JZCQMHAPRREYAM-AWEZNQCLSA-N 0 0 313.361 2.282 10 30 DEEERN N#Cc1ccc(S(=O)(=O)CCN(CC2CC2)C2CC2)cc1 ZINC000081513151 192277274 /nfs/dbraw/zinc/27/72/74/192277274.db2.gz GKILKCIPXXKNOR-UHFFFAOYSA-N 0 0 304.415 2.206 10 30 DEEERN C[C@H]1CN(C(=O)c2cc(C#N)cn2C)c2ccccc2NC1=O ZINC000081547541 192288333 /nfs/dbraw/zinc/28/83/33/192288333.db2.gz KKTAENQFTIIFIC-NSHDSACASA-N 0 0 308.341 2.132 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000081731656 192317929 /nfs/dbraw/zinc/31/79/29/192317929.db2.gz GPUYFRMLEDZHQH-INIZCTEOSA-N 0 0 313.332 2.250 10 30 DEEERN C=CCOCCCNC(=O)Cc1noc2ccc(OC)cc12 ZINC000618515668 363512908 /nfs/dbraw/zinc/51/29/08/363512908.db2.gz GARDGDKIYYXPKP-UHFFFAOYSA-N 0 0 304.346 2.088 10 30 DEEERN C=CCOCCCNC(=O)c1cn(-c2cc(C)cc(F)c2)nn1 ZINC000618524996 363516297 /nfs/dbraw/zinc/51/62/97/363516297.db2.gz YOXUEROVBSYKPX-UHFFFAOYSA-N 0 0 318.352 2.037 10 30 DEEERN C=CCOCCCNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000618523576 363516317 /nfs/dbraw/zinc/51/63/17/363516317.db2.gz KQBZWHGDGSSWPE-GJZGRUSLSA-N 0 0 317.385 2.270 10 30 DEEERN C[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1N ZINC000085917507 192539667 /nfs/dbraw/zinc/53/96/67/192539667.db2.gz FTKGZTUEZUQPPY-DGCLKSJQSA-N 0 0 307.419 2.245 10 30 DEEERN C[C@@H]1CC(NS(=O)(=O)c2ccc(C#N)cc2N)C[C@@H](C)C1 ZINC000085918562 192539682 /nfs/dbraw/zinc/53/96/82/192539682.db2.gz BRNKRMDZBGTZEQ-QWRGUYRKSA-N 0 0 307.419 2.243 10 30 DEEERN C=CCN(CCOC)C(=O)Nc1cn(C)nc1-c1ccco1 ZINC000626817079 366334012 /nfs/dbraw/zinc/33/40/12/366334012.db2.gz GLFPZFWDUOULKT-UHFFFAOYSA-N 0 0 304.350 2.346 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N(CC)Cc1ccncc1 ZINC000578205069 356778095 /nfs/dbraw/zinc/77/80/95/356778095.db2.gz GRBWWINQUSTDKY-UHFFFAOYSA-N 0 0 303.406 2.293 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N(C)Cc1ccc(O)cc1 ZINC000579140364 356930080 /nfs/dbraw/zinc/93/00/80/356930080.db2.gz ABYOLBIANSWZAR-UHFFFAOYSA-N 0 0 304.390 2.213 10 30 DEEERN CC(=O)N(C)c1cccc(NS(=O)(=O)CCC(C)(C)C#N)c1 ZINC000579718865 357021257 /nfs/dbraw/zinc/02/12/57/357021257.db2.gz XROFYZDXVLJFOP-UHFFFAOYSA-N 0 0 323.418 2.351 10 30 DEEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(CCC(C)C)cc1 ZINC000580801806 357082758 /nfs/dbraw/zinc/08/27/58/357082758.db2.gz YPINWSTYVODWIB-MRXNPFEDSA-N 0 0 318.417 2.267 10 30 DEEERN CC(=O)N1CC[C@H](CNC(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000581731096 357240016 /nfs/dbraw/zinc/24/00/16/357240016.db2.gz KMHBVKMNMQJSQY-WBVHZDCISA-N 0 0 313.401 2.059 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2CCc3nc(C)ncc3C2)CCOCC1 ZINC000581662434 357225258 /nfs/dbraw/zinc/22/52/58/357225258.db2.gz KEOLLIHLEVJROR-OAHLLOKOSA-N 0 0 315.417 2.131 10 30 DEEERN CC(C)OC[C@H]1C(=O)N(CC2CCC(C#N)CC2)C(=O)N1C ZINC000586868712 357377810 /nfs/dbraw/zinc/37/78/10/357377810.db2.gz MYQUTTQLWGPODT-RUXDESIVSA-N 0 0 307.394 2.004 10 30 DEEERN Cc1cc(S(=O)(=O)NC[C@H](C)CC(F)F)ccc1C#N ZINC000592067890 357823745 /nfs/dbraw/zinc/82/37/45/357823745.db2.gz YFSKRAOYHFLNOK-SECBINFHSA-N 0 0 302.346 2.436 10 30 DEEERN C=CCNC(=O)[C@@H](C)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592157598 357843369 /nfs/dbraw/zinc/84/33/69/357843369.db2.gz FTYQAALQOVHEKU-CYBMUJFWSA-N 0 0 310.438 2.121 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000185222908 199826987 /nfs/dbraw/zinc/82/69/87/199826987.db2.gz KOSSIACEJMPOOF-SWLSCSKDSA-N 0 0 316.405 2.496 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(C)cc1C(=O)OC ZINC000180267510 199138957 /nfs/dbraw/zinc/13/89/57/199138957.db2.gz CQJGPJYKPOJWPU-UHFFFAOYSA-N 0 0 318.373 2.145 10 30 DEEERN C=CCCn1cc(CNc2cccc(C(=O)OC)c2OC)nn1 ZINC000594548483 358292674 /nfs/dbraw/zinc/29/26/74/358292674.db2.gz DUSJJTYCEGRWPX-UHFFFAOYSA-N 0 0 316.361 2.262 10 30 DEEERN C=CCCn1cc(CS[C@@H](C)C(=O)N2CCCCC2)nn1 ZINC000594564979 358295105 /nfs/dbraw/zinc/29/51/05/358295105.db2.gz NDWMNURBZYGVOA-ZDUSSCGKSA-N 0 0 308.451 2.488 10 30 DEEERN C=CCCC1(CNS(=O)(=O)N(C)C[C@@H](C)C#N)CCCC1 ZINC000594798575 358339059 /nfs/dbraw/zinc/33/90/59/358339059.db2.gz GQNQSQBHICNIBF-AWEZNQCLSA-N 0 0 313.467 2.439 10 30 DEEERN C=CCNC(=O)CNC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000180842954 199217152 /nfs/dbraw/zinc/21/71/52/199217152.db2.gz NVHXLBDUWWUCJP-UHFFFAOYSA-N 0 0 306.328 2.164 10 30 DEEERN C=CCOCCNC(=O)Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C ZINC000627052721 366422911 /nfs/dbraw/zinc/42/29/11/366422911.db2.gz FKRHONMKNONDAS-LBPRGKRZSA-N 0 0 317.389 2.481 10 30 DEEERN C=CCSCCNC(=O)N1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596002842 358592747 /nfs/dbraw/zinc/59/27/47/358592747.db2.gz JLOKXXUGTRHZCS-UHFFFAOYSA-N 0 0 322.478 2.433 10 30 DEEERN C=CCSCCNC(=O)NCC1(O)CCC(F)(F)CC1 ZINC000596215744 358642283 /nfs/dbraw/zinc/64/22/83/358642283.db2.gz UBFGGCKTDKULOX-UHFFFAOYSA-N 0 0 308.394 2.145 10 30 DEEERN C=CCCSCCNC(=O)NCc1ccc(CO)c(F)c1 ZINC000596224347 358645356 /nfs/dbraw/zinc/64/53/56/358645356.db2.gz AYKBWZGTCZGIGY-UHFFFAOYSA-N 0 0 312.410 2.427 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000596618987 358725299 /nfs/dbraw/zinc/72/52/99/358725299.db2.gz GHIQBSOGUCWCGI-CYBMUJFWSA-N 0 0 305.334 2.313 10 30 DEEERN C=CCn1cc(CNC(=O)NC(C)(C)c2cccc(C#N)c2)nn1 ZINC000596635667 358729823 /nfs/dbraw/zinc/72/98/23/358729823.db2.gz IOAOFSHABULOAT-UHFFFAOYSA-N 0 0 324.388 2.070 10 30 DEEERN C=CCN(C(=O)Nc1ccc(CC(=O)OC)cc1)[C@H](C)COC ZINC000596703912 358743123 /nfs/dbraw/zinc/74/31/23/358743123.db2.gz CFCINVFIQPDGCX-CYBMUJFWSA-N 0 0 320.389 2.457 10 30 DEEERN CC(=O)N(C)c1ccc(NC(=O)N2CC[C@@](C)(C#N)C2)cc1 ZINC000596704417 358743143 /nfs/dbraw/zinc/74/31/43/358743143.db2.gz BBPLJFZASPSSIS-INIZCTEOSA-N 0 0 300.362 2.437 10 30 DEEERN C=C[C@@H](O)C(=O)N1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000597907366 359037195 /nfs/dbraw/zinc/03/71/95/359037195.db2.gz OHFOFDGBQBXNDI-LSDHHAIUSA-N 0 0 317.385 2.001 10 30 DEEERN C=C[C@H](O)C(=O)N[C@@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000597822299 359015970 /nfs/dbraw/zinc/01/59/70/359015970.db2.gz OYBRAEUKDLGZHY-KFWWJZLASA-N 0 0 317.385 2.220 10 30 DEEERN C=CCOCCCNC(=O)C1(C(=O)OC(C)(C)C)CC=CC1 ZINC000598209379 359122946 /nfs/dbraw/zinc/12/29/46/359122946.db2.gz UTDWYFUEQZMHDF-UHFFFAOYSA-N 0 0 309.406 2.373 10 30 DEEERN C=CCOCCCNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000598206427 359121852 /nfs/dbraw/zinc/12/18/52/359121852.db2.gz HBTUKSWKRUJWNQ-UHFFFAOYSA-N 0 0 302.374 2.425 10 30 DEEERN CC(=O)N1CCC[C@H](C(=O)NC(C)(C)c2cccc(C#N)c2)C1 ZINC000597952663 359051713 /nfs/dbraw/zinc/05/17/13/359051713.db2.gz QUOXOZTXLKGPJK-HNNXBMFYSA-N 0 0 313.401 2.168 10 30 DEEERN C=CCCSCCNC(=O)c1cc(-n2ccnc2)ccn1 ZINC000597968129 359054081 /nfs/dbraw/zinc/05/40/81/359054081.db2.gz CQZBPPFCTFHOMD-UHFFFAOYSA-N 0 0 302.403 2.306 10 30 DEEERN C=CCCSCCNC(=O)c1c[nH]cc1-c1cnn(C)c1 ZINC000597967577 359054327 /nfs/dbraw/zinc/05/43/27/359054327.db2.gz ZWHNMJOXXMMBNL-UHFFFAOYSA-N 0 0 304.419 2.454 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000598825224 359336017 /nfs/dbraw/zinc/33/60/17/359336017.db2.gz YBHCLTIWZLJQNY-GJZGRUSLSA-N 0 0 319.792 2.492 10 30 DEEERN CC(=O)N1CCC[C@H]1C(=O)N(c1ccc(C#N)cc1)C1CCC1 ZINC000598885061 359350840 /nfs/dbraw/zinc/35/08/40/359350840.db2.gz KDUMPVSCCIINFN-KRWDZBQOSA-N 0 0 311.385 2.455 10 30 DEEERN C=C(C)CN(CC)C(=O)C[S@](=O)Cc1cccc(OCC)n1 ZINC000342253774 404469670 /nfs/dbraw/zinc/46/96/70/404469670.db2.gz LIARUMNUTXIETJ-JOCHJYFZSA-N 0 0 324.446 2.154 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCCC[C@H](SC)C1 ZINC000599496949 359511868 /nfs/dbraw/zinc/51/18/68/359511868.db2.gz MSGDVPVCDDVVTQ-ZDUSSCGKSA-N 0 0 312.479 2.449 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000600003382 359633337 /nfs/dbraw/zinc/63/33/37/359633337.db2.gz BNGOJTMDMMAARU-NSHDSACASA-N 0 0 301.321 2.060 10 30 DEEERN CCOC(=O)CC[C@H](C)NC(=O)CCc1ccc(C#N)cc1 ZINC000089804994 192875366 /nfs/dbraw/zinc/87/53/66/192875366.db2.gz MGHIHNTWTFNYHQ-ZDUSSCGKSA-N 0 0 302.374 2.339 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000600212706 359690770 /nfs/dbraw/zinc/69/07/70/359690770.db2.gz HABJJFWOVFAHNJ-GFCCVEGCSA-N 0 0 320.345 2.407 10 30 DEEERN C=C[C@](C)(CC)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000187911850 200175763 /nfs/dbraw/zinc/17/57/63/200175763.db2.gz DLXDJNWPDWRNHP-CRAIPNDOSA-N 0 0 302.418 2.404 10 30 DEEERN C#CCOc1ccccc1NC(=O)N1CCC([C@H](C)O)CC1 ZINC000188106698 200195356 /nfs/dbraw/zinc/19/53/56/200195356.db2.gz YJGRYRFZFJUAAZ-ZDUSSCGKSA-N 0 0 302.374 2.323 10 30 DEEERN C=CC[C@@H](C(=O)NC[C@@H](C)N1CCOCC1)c1ccccc1 ZINC000188195206 200207651 /nfs/dbraw/zinc/20/76/51/200207651.db2.gz DYFCOURJOAXULR-NVXWUHKLSA-N 0 0 302.418 2.183 10 30 DEEERN CC#CCN(C)C(=O)C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000627587058 366557533 /nfs/dbraw/zinc/55/75/33/366557533.db2.gz RYFFBGBUVWAOPI-UHFFFAOYSA-N 0 0 314.385 2.001 10 30 DEEERN C=CCC1(NC(=O)C(=O)Nc2cc(C)nn2CC)CCCC1 ZINC000627645511 366576964 /nfs/dbraw/zinc/57/69/64/366576964.db2.gz GMBXBMXNAKMASC-UHFFFAOYSA-N 0 0 304.394 2.155 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000601067927 359910188 /nfs/dbraw/zinc/91/01/88/359910188.db2.gz FKYQMDSZGQAORW-CYBMUJFWSA-N 0 0 303.318 2.024 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@@H](C(=O)OC(C)(C)C)C(C)C)C1=O ZINC000601072006 359913185 /nfs/dbraw/zinc/91/31/85/359913185.db2.gz ZAWLDIMPSCZCTP-CHWSQXEVSA-N 0 0 324.421 2.487 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)C1 ZINC000627734991 366604462 /nfs/dbraw/zinc/60/44/62/366604462.db2.gz IQFOATLRYCNRMP-GFCCVEGCSA-N 0 0 316.405 2.137 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)NCC(F)(F)CC)c1 ZINC000627850485 366640896 /nfs/dbraw/zinc/64/08/96/366640896.db2.gz HOACUVFCZKDMFP-UHFFFAOYSA-N 0 0 312.316 2.351 10 30 DEEERN C=C[C@@H]1OCC[C@H]1Nc1cc(CCC(=O)OCC)nc(C)n1 ZINC000601171142 359951624 /nfs/dbraw/zinc/95/16/24/359951624.db2.gz JNBHXUCSSPUDBY-KGLIPLIRSA-N 0 0 305.378 2.036 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2S1)C(=O)OC ZINC000601777075 360143584 /nfs/dbraw/zinc/14/35/84/360143584.db2.gz FIHPJQZEOJQISD-JSGCOSHPSA-N 0 0 305.399 2.327 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)OC ZINC000601780116 360144555 /nfs/dbraw/zinc/14/45/55/360144555.db2.gz AVXJMYKZWCTTRC-SNVBAGLBSA-N 0 0 301.264 2.342 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(C#N)ccc1Cl)C(=O)OC ZINC000601781593 360145665 /nfs/dbraw/zinc/14/56/65/360145665.db2.gz JVELZVJJIIVHLF-CYBMUJFWSA-N 0 0 306.749 2.449 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cncc(C(F)(F)F)c1)C(=O)OC ZINC000601781986 360146769 /nfs/dbraw/zinc/14/67/69/360146769.db2.gz NDODFRYWJBLIRI-NSHDSACASA-N 0 0 316.279 2.338 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H](C)c1ccc2c(c1)OCO2)C(=O)OC ZINC000601783236 360146829 /nfs/dbraw/zinc/14/68/29/360146829.db2.gz VODTYLWGJRFYPJ-DGCLKSJQSA-N 0 0 319.357 2.143 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H]1CCc2cccc(O)c21)C(=O)OC ZINC000601782014 360146905 /nfs/dbraw/zinc/14/69/05/360146905.db2.gz NHRLRBHJVAVEHS-QWHCGFSZSA-N 0 0 303.358 2.046 10 30 DEEERN C=C(C)C[C@H](NC(=O)COCc1cccc(C)c1)C(=O)OC ZINC000601785621 360148442 /nfs/dbraw/zinc/14/84/42/360148442.db2.gz SYZQLERBTCQHEP-HNNXBMFYSA-N 0 0 305.374 2.136 10 30 DEEERN C=C(C)C[C@@H](NC(=O)C[C@@H]1OCc2ccccc21)C(=O)OC ZINC000601785801 360148718 /nfs/dbraw/zinc/14/87/18/360148718.db2.gz VBOGZGVNWFJYOW-CABCVRRESA-N 0 0 303.358 2.272 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H](OC)c1cccc(OC)c1)C(=O)OC ZINC000601785236 360148904 /nfs/dbraw/zinc/14/89/04/360148904.db2.gz RGMCRDSLDCIZKH-HUUCEWRRSA-N 0 0 321.373 2.007 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(C)n([C@@H](C)CC)n1)C(=O)OC ZINC000601786902 360149606 /nfs/dbraw/zinc/14/96/06/360149606.db2.gz JJSYQJUTBZKGPY-FZMZJTMJSA-N 0 0 307.394 2.400 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1COc2cc(F)ccc2C1)C(=O)OC ZINC000601786122 360149810 /nfs/dbraw/zinc/14/98/10/360149810.db2.gz WRMDWFZIUXVIEA-JSGCOSHPSA-N 0 0 321.348 2.001 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)C(=O)OC ZINC000601788355 360150452 /nfs/dbraw/zinc/15/04/52/360150452.db2.gz UIBIIZYQPXZADK-CYBMUJFWSA-N 0 0 306.749 2.449 10 30 DEEERN C=C(C)C[C@H](NC(=O)C1=Cc2cc(F)ccc2OC1)C(=O)OC ZINC000601787668 360150482 /nfs/dbraw/zinc/15/04/82/360150482.db2.gz MLWWEIPVOPDVJI-AWEZNQCLSA-N 0 0 319.332 2.226 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(C)nc1OCC)C(=O)OC ZINC000602416936 360363290 /nfs/dbraw/zinc/36/32/90/360363290.db2.gz YZFOKTZTDSKSBX-CYBMUJFWSA-N 0 0 306.362 2.026 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)/C=C/c1ccccc1C#N ZINC000189914444 200469510 /nfs/dbraw/zinc/46/95/10/200469510.db2.gz STVLRCAWFXKGIK-FTVWBCRMSA-N 0 0 324.380 2.372 10 30 DEEERN Cc1cc(=O)n(C)cc1NC(=O)NCC1CCC(C#N)CC1 ZINC000441623455 238027914 /nfs/dbraw/zinc/02/79/14/238027914.db2.gz UMRWGUPMMVNCEU-UHFFFAOYSA-N 0 0 302.378 2.145 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)[C@@H](O)C1CCOCC1 ZINC000605426365 360969467 /nfs/dbraw/zinc/96/94/67/360969467.db2.gz JSDZBMIIGWVFEU-KRWDZBQOSA-N 0 0 303.402 2.031 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H]4[C@H](C3)C4(C)C)cc2C1=O ZINC000607858006 361118484 /nfs/dbraw/zinc/11/84/84/361118484.db2.gz KCNIYWIPWZFHCL-GASCZTMLSA-N 0 0 324.380 2.197 10 30 DEEERN CC[C@@H]1CO[C@@H](C)CN1C(=O)NCc1ccc(C#N)cc1F ZINC000609253726 361292138 /nfs/dbraw/zinc/29/21/38/361292138.db2.gz IVMIUDCJNRPBNG-SMDDNHRTSA-N 0 0 305.353 2.406 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C2CCC2)CC1 ZINC000609594556 361324663 /nfs/dbraw/zinc/32/46/63/361324663.db2.gz LOMDDZRGSIWPTP-CQSZACIVSA-N 0 0 313.401 2.022 10 30 DEEERN CC1(C)CN(C(=O)NCc2ccc(C#N)cc2F)CCCO1 ZINC000609778123 361338815 /nfs/dbraw/zinc/33/88/15/361338815.db2.gz FQQHJIWFJKDVNZ-UHFFFAOYSA-N 0 0 305.353 2.408 10 30 DEEERN CCC[C@H](NC(=O)c1ccnc(C#N)c1)C(=O)OC(C)(C)C ZINC000193823568 201128884 /nfs/dbraw/zinc/12/88/84/201128884.db2.gz JTMVFMZBZYRGFR-ZDUSSCGKSA-N 0 0 303.362 2.193 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1cn(CCOC)c(C)cc1=O ZINC000628313538 366806516 /nfs/dbraw/zinc/80/65/16/366806516.db2.gz RVJOIXDIGZWARH-UHFFFAOYSA-N 0 0 306.406 2.135 10 30 DEEERN C=CC(C)(C)CCNC(=O)CCn1c2ccccc2n(C)c1=O ZINC000628318194 366808098 /nfs/dbraw/zinc/80/80/98/366808098.db2.gz SBILPQSWZCFJGR-UHFFFAOYSA-N 0 0 315.417 2.449 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](C)c1ccncc1 ZINC000610905015 361489971 /nfs/dbraw/zinc/48/99/71/361489971.db2.gz WRUFOKSMNBWSRY-LBPRGKRZSA-N 0 0 322.368 2.120 10 30 DEEERN Cc1nc2cc(F)c(F)cc2n1CC(=O)N[C@@H](C#N)C1CC1 ZINC000619435728 363794037 /nfs/dbraw/zinc/79/40/37/363794037.db2.gz CGLOWXKWIQCWPP-ZDUSSCGKSA-N 0 0 304.300 2.041 10 30 DEEERN N#C[C@@H](NC(=O)c1ccnnc1)c1ccc(OC(F)(F)F)cc1 ZINC000611185878 361543760 /nfs/dbraw/zinc/54/37/60/361543760.db2.gz XUEZMMOWEDQIBW-GFCCVEGCSA-N 0 0 322.246 2.370 10 30 DEEERN Cc1ccc(C#N)nc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC000611399133 361592487 /nfs/dbraw/zinc/59/24/87/361592487.db2.gz PWQFROYEOJDLMX-UHFFFAOYSA-N 0 0 312.417 2.491 10 30 DEEERN CCN(C[C@@H]1CCOC1)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000611555550 361630228 /nfs/dbraw/zinc/63/02/28/361630228.db2.gz IUPPYIZRWNCNDD-GUYCJALGSA-N 0 0 324.421 2.133 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000611628001 361647868 /nfs/dbraw/zinc/64/78/68/361647868.db2.gz AJNXXFOTKSHKJM-PWSUYJOCSA-N 0 0 322.409 2.015 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC1(COC)CCC1 ZINC000611720157 361667134 /nfs/dbraw/zinc/66/71/34/361667134.db2.gz GQISWXZDFYRPHD-LSDHHAIUSA-N 0 0 322.449 2.170 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1(CCOC)CC1 ZINC000611664573 361653790 /nfs/dbraw/zinc/65/37/90/361653790.db2.gz BVOHNGSILFGAKK-GJZGRUSLSA-N 0 0 322.449 2.170 10 30 DEEERN C=CCOCCCNC(=O)C(=O)NC[C@@H]1CCCC(C)(C)C1 ZINC000611923920 361706067 /nfs/dbraw/zinc/70/60/67/361706067.db2.gz DMKVAAGYTYKXRO-CQSZACIVSA-N 0 0 310.438 2.028 10 30 DEEERN CO[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000611958378 361712752 /nfs/dbraw/zinc/71/27/52/361712752.db2.gz RLIPZFLIXBKCCY-CXAGYDPISA-N 0 0 324.421 2.276 10 30 DEEERN C[C@@H](C(=O)NCCC(C)(C)c1ccccc1)n1cnc(C#N)n1 ZINC000619588368 363835741 /nfs/dbraw/zinc/83/57/41/363835741.db2.gz YUBVJBBFBGMWOD-ZDUSSCGKSA-N 0 0 311.389 2.195 10 30 DEEERN Cn1cnnc1[C@@H]1CCCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000619697255 363857051 /nfs/dbraw/zinc/85/70/51/363857051.db2.gz RQKGRSWXBPQQRV-NSHDSACASA-N 0 0 322.294 2.442 10 30 DEEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000619646401 363846894 /nfs/dbraw/zinc/84/68/94/363846894.db2.gz GFCBOWSCDUUDKG-GFCCVEGCSA-N 0 0 318.373 2.191 10 30 DEEERN C[S@@](=O)c1cccc(C(=O)NCC2CCC(C#N)CC2)c1 ZINC000619664035 363851477 /nfs/dbraw/zinc/85/14/77/363851477.db2.gz UVFJUGZVIPEVCP-LFCMPWLRSA-N 0 0 304.415 2.484 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1ccccc1)[C@H](O)C(C)C ZINC000619916702 363907438 /nfs/dbraw/zinc/90/74/38/363907438.db2.gz KDNPBPACCTXTOV-YYIAUSFCSA-N 0 0 303.402 2.452 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000620313780 364014137 /nfs/dbraw/zinc/01/41/37/364014137.db2.gz CLYUAIAYMBNVOG-IYBDPMFKSA-N 0 0 323.400 2.358 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CCn2cccn2)n1 ZINC000620302293 364012554 /nfs/dbraw/zinc/01/25/54/364012554.db2.gz XZHRRUBGOURGRL-GASCZTMLSA-N 0 0 311.389 2.103 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CCOC)c(C)cc1=O ZINC000620303611 364012949 /nfs/dbraw/zinc/01/29/49/364012949.db2.gz XAVWKAGHPMRCIW-GASCZTMLSA-N 0 0 316.401 2.126 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000620313969 364013742 /nfs/dbraw/zinc/01/37/42/364013742.db2.gz MEBAZUNKIFREBO-RSUWNVLCSA-N 0 0 306.431 2.150 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1 ZINC000628485836 366864141 /nfs/dbraw/zinc/86/41/41/366864141.db2.gz UXJCJHWIELWIAU-HZPDHXFCSA-N 0 0 319.449 2.339 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)C1 ZINC000628492667 366866447 /nfs/dbraw/zinc/86/64/47/366866447.db2.gz ZGSIRKUNCFAZKL-BEFAXECRSA-N 0 0 312.413 2.259 10 30 DEEERN C=CCn1c(-c2cn(C)nn2)nnc1N1Cc2ccccc2[C@@H]1C ZINC000622017413 364636138 /nfs/dbraw/zinc/63/61/38/364636138.db2.gz OYZXDNNIUQLSGJ-LBPRGKRZSA-N 0 0 321.388 2.341 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(F)ccc1C(C)=O ZINC000622844542 364810779 /nfs/dbraw/zinc/81/07/79/364810779.db2.gz FPPITQDDSBALDJ-HNNXBMFYSA-N 0 0 306.337 2.438 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)Nc1cccc2c1CCN(C)C2=O ZINC000622947614 364838647 /nfs/dbraw/zinc/83/86/47/364838647.db2.gz UOKYCKVEVFOLID-SFHVURJKSA-N 0 0 316.401 2.482 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCCC(=O)N2CCCCCC2)C1 ZINC000623529425 365065196 /nfs/dbraw/zinc/06/51/96/365065196.db2.gz HREISUWFHZQPOT-HNNXBMFYSA-N 0 0 307.438 2.387 10 30 DEEERN C=C(C)CNC(=O)NCc1cc(Br)cnc1OC ZINC000623908702 365215791 /nfs/dbraw/zinc/21/57/91/365215791.db2.gz MNDXBBUGZORBQJ-UHFFFAOYSA-N 0 0 314.183 2.228 10 30 DEEERN C[C@@H](NC(=O)c1ccncc1C#CCCO)c1ccsc1 ZINC000091459290 193059345 /nfs/dbraw/zinc/05/93/45/193059345.db2.gz OJZZFQIGLSLSHW-GFCCVEGCSA-N 0 0 300.383 2.368 10 30 DEEERN C=CC(C)(C)CCNC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000624466102 365431406 /nfs/dbraw/zinc/43/14/06/365431406.db2.gz IHCKEHLXRITKMG-NWDGAFQWSA-N 0 0 304.456 2.052 10 30 DEEERN C[C@H]1CCCN(C(=O)N(C)Cc2cc(C#CCO)cs2)C1 ZINC000091992331 193138121 /nfs/dbraw/zinc/13/81/21/193138121.db2.gz RGIVLUCQAPINJG-ZDUSSCGKSA-N 0 0 306.431 2.376 10 30 DEEERN C[C@H]1CCCN(C(=O)NCc2cc(C#CCCO)cs2)C1 ZINC000091992365 193138213 /nfs/dbraw/zinc/13/82/13/193138213.db2.gz DWQBGMWPZGYTCU-ZDUSSCGKSA-N 0 0 306.431 2.424 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)NCC(=O)c1cccc(F)c1Cl ZINC000628898109 367003682 /nfs/dbraw/zinc/00/36/82/367003682.db2.gz UGBVEYNOUJGTNV-MFKMUULPSA-N 0 0 311.740 2.369 10 30 DEEERN C=C(C)[C@H](CC(=O)NC[C@@H]1c2ccccc2C(=O)N1C)OCC ZINC000628955361 367026134 /nfs/dbraw/zinc/02/61/34/367026134.db2.gz JKHOOOMFSACULZ-CVEARBPZSA-N 0 0 316.401 2.301 10 30 DEEERN C=CCC[C@H](C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1)c1ccccc1 ZINC000629206010 367118892 /nfs/dbraw/zinc/11/88/92/367118892.db2.gz FZNZLSBESFFIDJ-XHSDSOJGSA-N 0 0 300.402 2.459 10 30 DEEERN C=C[C@@](C)(CC)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000629434847 367198251 /nfs/dbraw/zinc/19/82/51/367198251.db2.gz GUFAWPLJZMEYJQ-WMZOPIPTSA-N 0 0 317.433 2.001 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000629435303 367198278 /nfs/dbraw/zinc/19/82/78/367198278.db2.gz JXTLBNXTIVXERY-DOTOQJQBSA-N 0 0 317.433 2.001 10 30 DEEERN COC(=O)C(C)(C)N1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000450453475 241855398 /nfs/dbraw/zinc/85/53/98/241855398.db2.gz PLMFNNPQNMGQHB-UHFFFAOYSA-N 0 0 321.808 2.285 10 30 DEEERN COC(=O)CC1(CNC(=O)c2ccc(C#N)n2C)CCCCC1 ZINC000450686782 242095483 /nfs/dbraw/zinc/09/54/83/242095483.db2.gz AERVQQQJDGDWJS-UHFFFAOYSA-N 0 0 317.389 2.140 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1ccc(C)cc1Br ZINC000450841485 242293048 /nfs/dbraw/zinc/29/30/48/242293048.db2.gz BXPBEUWXMNNMMA-LBPRGKRZSA-N 0 0 312.207 2.353 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2ccc3oc(N(C)C)nc3c2)C1=O ZINC000630507483 367696182 /nfs/dbraw/zinc/69/61/82/367696182.db2.gz XNEQBNBCSZIODI-GFCCVEGCSA-N 0 0 314.345 2.285 10 30 DEEERN C=C1CC(C)(C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)C1 ZINC000630682697 367791498 /nfs/dbraw/zinc/79/14/98/367791498.db2.gz TWEZOCWVVHDVFT-UHFFFAOYSA-N 0 0 324.402 2.362 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCc2cnn(-c3ccccc3)c2)C1=O ZINC000630964755 367939191 /nfs/dbraw/zinc/93/91/91/367939191.db2.gz KNFBRODNEDVVDD-INIZCTEOSA-N 0 0 324.384 2.301 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccc(N3CCCC3)nc2)C1=O ZINC000630966651 367940448 /nfs/dbraw/zinc/94/04/48/367940448.db2.gz HULWQHVXIBLEPE-AWEZNQCLSA-N 0 0 314.389 2.068 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccc(Cn3cccn3)cc2)C1=O ZINC000630969815 367942620 /nfs/dbraw/zinc/94/26/20/367942620.db2.gz HXBADNBBHFOWLY-INIZCTEOSA-N 0 0 324.384 2.318 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H]2CCOc3ccccc32)C1=O ZINC000630972706 367944155 /nfs/dbraw/zinc/94/41/55/367944155.db2.gz NFGMBJSGZSTBPQ-JSGCOSHPSA-N 0 0 300.358 2.439 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@]2(C)COc3ccccc3O2)C1=O ZINC000630985301 367950722 /nfs/dbraw/zinc/95/07/22/367950722.db2.gz GVYIRLKDCTYFFU-SJCJKPOMSA-N 0 0 316.357 2.103 10 30 DEEERN CC(C)(C#N)N1CCN(c2nc(Br)cs2)CC1 ZINC000093011219 193193544 /nfs/dbraw/zinc/19/35/44/193193544.db2.gz JASPULUNXAOOQD-UHFFFAOYSA-N 0 0 315.240 2.330 10 30 DEEERN CCC[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)OC ZINC000452296254 244120668 /nfs/dbraw/zinc/12/06/68/244120668.db2.gz JKNYJNIKXZVVMZ-LRDDRELGSA-N 0 0 312.410 2.179 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)NCC1=CCOCC1 ZINC000452407426 244260946 /nfs/dbraw/zinc/26/09/46/244260946.db2.gz IZOQCCDVILAIJK-UHFFFAOYSA-N 0 0 303.358 2.337 10 30 DEEERN CC[C@H](C)CN(CC)S(=O)(=O)c1ccc(C#CCO)cc1 ZINC000093265082 193222608 /nfs/dbraw/zinc/22/26/08/193222608.db2.gz SRVJHXXTSDYMJH-AWEZNQCLSA-N 0 0 309.431 2.087 10 30 DEEERN N#CCCNC(=O)CSc1cc(Br)ccc1N ZINC000093427321 193249709 /nfs/dbraw/zinc/24/97/09/193249709.db2.gz RLFZZEUNIWZPMW-UHFFFAOYSA-N 0 0 314.208 2.153 10 30 DEEERN CC(C)N[C@@]1(C#N)CCC[C@H]1CCSCCS(C)(=O)=O ZINC000093581518 193270296 /nfs/dbraw/zinc/27/02/96/193270296.db2.gz PMPPKIWMESPVLJ-UONOGXRCSA-N 0 0 318.508 2.215 10 30 DEEERN CCCO[C@@H]1CCCN(C(=O)c2csc(C#CCO)c2)C1 ZINC000093974561 193332559 /nfs/dbraw/zinc/33/25/59/193332559.db2.gz GGJMOZWUQLPZTM-CQSZACIVSA-N 0 0 307.415 2.123 10 30 DEEERN CC[C@H](C#N)S(=O)(=O)Nc1ccc(Br)c(N)c1 ZINC000094187773 193347624 /nfs/dbraw/zinc/34/76/24/193347624.db2.gz VMGGSIPELDOOBF-MRVPVSSYSA-N 0 0 318.196 2.075 10 30 DEEERN CCN(C[C@H](C)C#N)S(=O)(=O)c1cc(N)c(C)cc1Cl ZINC000094638056 193386856 /nfs/dbraw/zinc/38/68/56/193386856.db2.gz PGQBSJNEJBPWBY-SECBINFHSA-N 0 0 315.826 2.401 10 30 DEEERN Cc1cc(NC(=O)c2cc(C)c(C#CCCO)s2)n(C)n1 ZINC000094533578 193377302 /nfs/dbraw/zinc/37/73/02/193377302.db2.gz AXBLASLJZXHPKZ-UHFFFAOYSA-N 0 0 303.387 2.085 10 30 DEEERN Cc1cc(C(=O)NC[C@@H]2CCCCO2)sc1C#CCCO ZINC000094534913 193377696 /nfs/dbraw/zinc/37/76/96/193377696.db2.gz UQMGONLQLNZBOU-ZDUSSCGKSA-N 0 0 307.415 2.089 10 30 DEEERN CC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(F)cc2)cc1 ZINC000096350180 193614833 /nfs/dbraw/zinc/61/48/33/193614833.db2.gz OCQNGUHORLBKKC-UHFFFAOYSA-N 0 0 324.355 2.495 10 30 DEEERN C=C(C)CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000453877806 245336673 /nfs/dbraw/zinc/33/66/73/245336673.db2.gz NISRXTIJVPKGLV-UHFFFAOYSA-N 0 0 315.295 2.430 10 30 DEEERN C=CCOc1cccc(NC(=S)NC(=O)CCC(=O)OC)c1 ZINC000008905056 181590442 /nfs/dbraw/zinc/59/04/42/181590442.db2.gz CUKHYCDHUVCBMJ-UHFFFAOYSA-N 0 0 322.386 2.018 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[C@H](C)O1 ZINC000454110234 245442439 /nfs/dbraw/zinc/44/24/39/245442439.db2.gz FCUDDOGTDJFIMP-ZFWWWQNUSA-N 0 0 316.401 2.427 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCCC[C@H]1O ZINC000266385006 205308823 /nfs/dbraw/zinc/30/88/23/205308823.db2.gz IVYPEZYJJPDIJM-GXTWGEPZSA-N 0 0 306.337 2.263 10 30 DEEERN Cc1nc(C)n(C[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)n1 ZINC000161285204 197481507 /nfs/dbraw/zinc/48/15/07/197481507.db2.gz QMFUMSYGTXXSTM-OAHLLOKOSA-N 0 0 310.405 2.387 10 30 DEEERN N#Cc1ccccc1NC(=O)CCSc1nccc(=O)[nH]1 ZINC000020362357 182211883 /nfs/dbraw/zinc/21/18/83/182211883.db2.gz ATXUULAOAIDYAV-UHFFFAOYSA-N 0 0 300.343 2.175 10 30 DEEERN C=C(CC)CNC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000454878242 246220255 /nfs/dbraw/zinc/22/02/55/246220255.db2.gz WEQZNMUVIVMDHR-UHFFFAOYSA-N 0 0 319.409 2.030 10 30 DEEERN C=CCC[C@@H](NC(=O)c1ccc(C#N)cc1C)C(=O)OCC ZINC000456631417 247326242 /nfs/dbraw/zinc/32/62/42/247326242.db2.gz SERPZKFFVYTRKE-OAHLLOKOSA-N 0 0 300.358 2.494 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000456764845 247406867 /nfs/dbraw/zinc/40/68/67/247406867.db2.gz FYXCVSZNVDZSAO-SNVBAGLBSA-N 0 0 318.295 2.080 10 30 DEEERN CC(C)(CC#N)CNC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000458541781 248364057 /nfs/dbraw/zinc/36/40/57/248364057.db2.gz AUGSCVVRZNPLKF-CYBMUJFWSA-N 0 0 317.389 2.456 10 30 DEEERN CC#CCNC(=O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 ZINC000487265087 248752781 /nfs/dbraw/zinc/75/27/81/248752781.db2.gz AAYYKQXVZALIJA-ZWKOTPCHSA-N 0 0 323.396 2.149 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(CCCCO)C1CC1 ZINC000160198445 291663986 /nfs/dbraw/zinc/66/39/86/291663986.db2.gz UQLPMPYJYCPRIR-CYBMUJFWSA-N 0 0 302.374 2.089 10 30 DEEERN C=CCn1c(CCNC(=O)c2ccc(C)cc2)n[nH]c1=S ZINC000038536904 183001455 /nfs/dbraw/zinc/00/14/55/183001455.db2.gz DLKXBPCDDUAULE-UHFFFAOYSA-N 0 0 302.403 2.408 10 30 DEEERN Cc1cccc(Nc2ncnc(N(CC#N)CC#N)c2[N+](=O)[O-])c1 ZINC000040617941 183109590 /nfs/dbraw/zinc/10/95/90/183109590.db2.gz CYVVNSHQHDLATF-UHFFFAOYSA-N 0 0 323.316 2.290 10 30 DEEERN N#Cc1c(NC(=O)[C@@H]2CSCN2)sc2c1CCCCC2 ZINC000040853293 183141729 /nfs/dbraw/zinc/14/17/29/183141729.db2.gz WPIVTDYCLNWUBP-NSHDSACASA-N 0 0 307.444 2.490 10 30 DEEERN Cc1ccc(Oc2ncnc(N(CC#N)CC#N)c2N)cc1C ZINC000040736928 183127001 /nfs/dbraw/zinc/12/70/01/183127001.db2.gz MBKWMOZIWNATQL-UHFFFAOYSA-N 0 0 308.345 2.322 10 30 DEEERN N#Cc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000041230483 183180324 /nfs/dbraw/zinc/18/03/24/183180324.db2.gz MFXUOJFGSFSBML-NSHDSACASA-N 0 0 311.263 2.050 10 30 DEEERN CCOC(=O)N1CCN([C@H](C#N)c2ccc(OCC)cc2)CC1 ZINC000041261349 183181865 /nfs/dbraw/zinc/18/18/65/183181865.db2.gz HDONZRGGMVJOKJ-MRXNPFEDSA-N 0 0 317.389 2.424 10 30 DEEERN CN(C)C(=O)N1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000041260238 183181963 /nfs/dbraw/zinc/18/19/63/183181963.db2.gz QRDHPXYWOBMODQ-CQSZACIVSA-N 0 0 306.797 2.204 10 30 DEEERN CCCC(=O)N1CCN([C@H](C#N)c2cccc(OC)c2)CC1 ZINC000041258929 183182047 /nfs/dbraw/zinc/18/20/47/183182047.db2.gz AYZXWIWSDTYMKU-MRXNPFEDSA-N 0 0 301.390 2.204 10 30 DEEERN Cc1ccc([C@@H](C#N)N2CCN(C(=O)c3cccnc3)CC2)cc1 ZINC000041258737 183182148 /nfs/dbraw/zinc/18/21/48/183182148.db2.gz QOMKXHBCGFHIOX-GOSISDBHSA-N 0 0 320.396 2.413 10 30 DEEERN C=CCNC(=O)c1cc2ccccc2cc1OCC(=O)NC1CC1 ZINC000041282443 183183491 /nfs/dbraw/zinc/18/34/91/183183491.db2.gz IWCXVZGNVFAOGT-UHFFFAOYSA-N 0 0 324.380 2.413 10 30 DEEERN CCCO[C@H]1CCCN(S(=O)(=O)c2ccccc2C#N)C1 ZINC000042425052 183268781 /nfs/dbraw/zinc/26/87/81/183268781.db2.gz CNETYABXTVROIY-AWEZNQCLSA-N 0 0 308.403 2.138 10 30 DEEERN CC[C@H](O)c1cccc(S(=O)(=O)N(CCC#N)C(C)C)c1 ZINC000042530271 183281174 /nfs/dbraw/zinc/28/11/74/183281174.db2.gz SQQVHPMYMOYJRK-HNNXBMFYSA-N 0 0 310.419 2.443 10 30 DEEERN C[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(N)cc1C#N ZINC000042858793 183314827 /nfs/dbraw/zinc/31/48/27/183314827.db2.gz KSOBECUGFOQOGN-VXGBXAGGSA-N 0 0 307.419 2.245 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(C2CC2)n(CC)n1 ZINC000268270822 206599391 /nfs/dbraw/zinc/59/93/91/206599391.db2.gz SHCPRKGIPACGKJ-UHFFFAOYSA-N 0 0 304.394 2.144 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CNC(=O)c1ccc(F)cc1 ZINC000274206752 211423126 /nfs/dbraw/zinc/42/31/26/211423126.db2.gz SJFJBWQTLRWVSU-UHFFFAOYSA-N 0 0 318.270 2.132 10 30 DEEERN N#CC1(NC(=O)CCCc2ccc3c(c2)CC(=O)N3)CCCC1 ZINC000104525303 194013538 /nfs/dbraw/zinc/01/35/38/194013538.db2.gz PAVSXEKXEVOAAR-UHFFFAOYSA-N 0 0 311.385 2.456 10 30 DEEERN Cc1ccnc(N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)c1C#N ZINC000284642944 218113233 /nfs/dbraw/zinc/11/32/33/218113233.db2.gz UVAKMGLXXHMNGT-AWEZNQCLSA-N 0 0 324.388 2.015 10 30 DEEERN N#C[C@@H]1CC(=O)N(c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000159524304 197360750 /nfs/dbraw/zinc/36/07/50/197360750.db2.gz APAFWPBZYXUZJE-ZETCQYMHSA-N 0 0 310.107 2.234 10 30 DEEERN N#CCSCCCN1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159460232 197354961 /nfs/dbraw/zinc/35/49/61/197354961.db2.gz FPLXSTMYSCBGTH-KGLIPLIRSA-N 0 0 310.419 2.051 10 30 DEEERN N#Cc1ccc(CN2CCCN(c3cccnn3)CC2)c(F)c1 ZINC000105799313 194132066 /nfs/dbraw/zinc/13/20/66/194132066.db2.gz FNGXPGAQMAOXOC-UHFFFAOYSA-N 0 0 311.364 2.200 10 30 DEEERN Cc1cc2nc(C)c(CCC(=O)N[C@@H](C#N)C3CC3)c(C)n2n1 ZINC000108828120 194257127 /nfs/dbraw/zinc/25/71/27/194257127.db2.gz YBZHXICYTIQWAX-HNNXBMFYSA-N 0 0 311.389 2.006 10 30 DEEERN CCN[C@@](C#N)(CSc1nnc(C)n1C)c1ccccc1 ZINC000110028172 194304042 /nfs/dbraw/zinc/30/40/42/194304042.db2.gz GNMQZDLWASMVQK-HNNXBMFYSA-N 0 0 301.419 2.244 10 30 DEEERN O=C(Cc1cccc(Cl)c1)Nc1ncc(C#CCO)s1 ZINC000052945388 183881185 /nfs/dbraw/zinc/88/11/85/183881185.db2.gz RJQKCVBOWQRRTF-UHFFFAOYSA-N 0 0 306.774 2.322 10 30 DEEERN CN([C@H]1CCSC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000159310279 197344056 /nfs/dbraw/zinc/34/40/56/197344056.db2.gz SEOSHWLCXIDCQD-JTQLQIEISA-N 0 0 316.835 2.338 10 30 DEEERN C=CC[C@@H](CO)Nc1cnn(Cc2ccccc2)c(=O)c1Cl ZINC000273202231 210579542 /nfs/dbraw/zinc/57/95/42/210579542.db2.gz FJYNDINDNHBJNL-ZDUSSCGKSA-N 0 0 319.792 2.294 10 30 DEEERN N=C(NN=Cc1ccccc1F)NN=Cc1ccccc1F ZINC000059369516 184138079 /nfs/dbraw/zinc/13/80/79/184138079.db2.gz MQCNYQOOJVMJDK-QJUDHZBZSA-N 0 0 301.300 2.447 10 30 DEEERN C[C@@H]1Cc2ccccc2N1C(=O)C(=O)Nc1ccccc1C#N ZINC000059768238 184140945 /nfs/dbraw/zinc/14/09/45/184140945.db2.gz AKFWADQFIADCRC-GFCCVEGCSA-N 0 0 305.337 2.475 10 30 DEEERN C[C@@H](NC(=O)c1ccc(C#CCCO)cn1)c1cccs1 ZINC000061861125 184190148 /nfs/dbraw/zinc/19/01/48/184190148.db2.gz DKPCJOGXJOYXKN-GFCCVEGCSA-N 0 0 300.383 2.368 10 30 DEEERN N#CC1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1 ZINC000061585853 184175557 /nfs/dbraw/zinc/17/55/57/184175557.db2.gz UFFWXDXOYBUPME-ZDUSSCGKSA-N 0 0 317.414 2.115 10 30 DEEERN CC1(C)CC(=O)N(c2cc(C#CCO)ccc2Cl)C(=O)C1 ZINC000061827569 184188920 /nfs/dbraw/zinc/18/89/20/184188920.db2.gz VUVUFRPCNNETHT-UHFFFAOYSA-N 0 0 305.761 2.363 10 30 DEEERN N#C[C@H]1CCC[C@@H]1N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000061891856 184193131 /nfs/dbraw/zinc/19/31/31/184193131.db2.gz RVICGFLTUFDDFB-DDTOSNHZSA-N 0 0 308.378 2.326 10 30 DEEERN C[C@H](CC#N)N(C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl ZINC000063086231 184269792 /nfs/dbraw/zinc/26/97/92/184269792.db2.gz YIVXYFSDKOZYEE-SSDOTTSWSA-N 0 0 322.217 2.498 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000065611194 184373145 /nfs/dbraw/zinc/37/31/45/184373145.db2.gz NOPRRGJLICQZSP-OLZOCXBDSA-N 0 0 302.374 2.351 10 30 DEEERN COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)Cc1cccc(C#N)c1 ZINC000537903511 285020532 /nfs/dbraw/zinc/02/05/32/285020532.db2.gz OBONNZOZCNEJSF-MAUKXSAKSA-N 0 0 314.385 2.339 10 30 DEEERN COc1ccc2c(c1)OC[C@H](C(=O)NC1(C#N)CCCC1)C2 ZINC000120137782 195103805 /nfs/dbraw/zinc/10/38/05/195103805.db2.gz BSVXPMOZEYPTOD-CYBMUJFWSA-N 0 0 300.358 2.199 10 30 DEEERN COc1cc(OC)cc([C@H]2CCN(c3ccc(C#N)nn3)C2)c1 ZINC000301988067 533088067 /nfs/dbraw/zinc/08/80/67/533088067.db2.gz ZWSPXMFHJBHBSZ-LBPRGKRZSA-N 0 0 310.357 2.359 10 30 DEEERN CC(C)[C@](C)(C#N)NC(=O)CN1CCO[C@H](c2cccs2)C1 ZINC000158083439 197243099 /nfs/dbraw/zinc/24/30/99/197243099.db2.gz VKYHFOGMMWFUCK-BBRMVZONSA-N 0 0 321.446 2.176 10 30 DEEERN CC[C@@H]1CN(C(=O)c2cc(C)c(C#CCO)s2)CCS1 ZINC000157970213 197232189 /nfs/dbraw/zinc/23/21/89/197232189.db2.gz GPLWWUNJCVMIDY-GFCCVEGCSA-N 0 0 309.456 2.368 10 30 DEEERN N#C[C@]1([C@H](O)c2cccc3ccccc32)CCS(=O)(=O)C1 ZINC000157640976 197203479 /nfs/dbraw/zinc/20/34/79/197203479.db2.gz RRPBFBZHXIKRFC-HZPDHXFCSA-N 0 0 301.367 2.202 10 30 DEEERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCCOc1ccc(C#N)cc1 ZINC000120310867 195141466 /nfs/dbraw/zinc/14/14/66/195141466.db2.gz UJXDUBMWHJTPIB-WBMJQRKESA-N 0 0 300.358 2.059 10 30 DEEERN C#CCn1ncc(N[C@@H](CC)C(C)C)c(Br)c1=O ZINC000156847435 197144590 /nfs/dbraw/zinc/14/45/90/197144590.db2.gz VXAUYRCMDBBJHM-JTQLQIEISA-N 0 0 312.211 2.486 10 30 DEEERN C[C@@H]1[C@H](C)SCCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156765262 197138321 /nfs/dbraw/zinc/13/83/21/197138321.db2.gz KBTKMKXVSVFXKT-OLZOCXBDSA-N 0 0 324.471 2.158 10 30 DEEERN COC(=O)C(C)(C)N1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000442871853 533157053 /nfs/dbraw/zinc/15/70/53/533157053.db2.gz HGQDEWOXHWXUKL-AWEZNQCLSA-N 0 0 315.417 2.188 10 30 DEEERN CO[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@H]1Cc1cccnc1 ZINC000503717681 257208423 /nfs/dbraw/zinc/20/84/23/257208423.db2.gz URIJKPUHRWMJRA-ZWKOTPCHSA-N 0 0 321.380 2.425 10 30 DEEERN Cc1cc(N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c(C#N)cn1 ZINC000521395879 257240151 /nfs/dbraw/zinc/24/01/51/257240151.db2.gz XACIXLWXSOKLRE-JKIFEVAISA-N 0 0 301.390 2.425 10 30 DEEERN CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000121783885 195346672 /nfs/dbraw/zinc/34/66/72/195346672.db2.gz QIIFLCLBVRIPIR-LBPRGKRZSA-N 0 0 309.778 2.072 10 30 DEEERN N#Cc1ccc2[nH]c(=S)n(CCCC(=O)NC3CC3)c2c1 ZINC000125074301 195709223 /nfs/dbraw/zinc/70/92/23/195709223.db2.gz IWOPCOASUBCOKV-UHFFFAOYSA-N 0 0 300.387 2.255 10 30 DEEERN C=CCCOCCNC(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000126179892 195817922 /nfs/dbraw/zinc/81/79/22/195817922.db2.gz AIPMCDRONQWWAK-HIFRSBDPSA-N 0 0 304.390 2.443 10 30 DEEERN N#Cc1cccc(S(=O)(=O)CCn2cnc3ccccc32)c1 ZINC000128119550 195938436 /nfs/dbraw/zinc/93/84/36/195938436.db2.gz QXVVVSMKFKIUJS-UHFFFAOYSA-N 0 0 311.366 2.382 10 30 DEEERN N#Cc1ccc(CNC(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000177924638 132531003 /nfs/dbraw/zinc/53/10/03/132531003.db2.gz VXOTVSRERZOBNY-QGZVFWFLSA-N 0 0 322.368 2.316 10 30 DEEERN N#Cc1ccnc(NC(=O)Cc2cccc(N3CCCC3=O)c2)c1 ZINC000362518837 133235349 /nfs/dbraw/zinc/23/53/49/133235349.db2.gz JZWCUIPBCDHMRF-UHFFFAOYSA-N 0 0 320.352 2.261 10 30 DEEERN CCCc1cc(NCCOc2ccc(C#N)cc2)n2ncnc2n1 ZINC000078403639 144577246 /nfs/dbraw/zinc/57/72/46/144577246.db2.gz NYZBCEJINMCKLL-UHFFFAOYSA-N 0 0 322.372 2.439 10 30 DEEERN CO[C@@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CC[C@H]1C ZINC000187577128 145000705 /nfs/dbraw/zinc/00/07/05/145000705.db2.gz JQDLILCHWWTWIM-CZUORRHYSA-N 0 0 317.389 2.003 10 30 DEEERN N#Cc1ccc(C2(C(=O)N[C@H](CO)c3ccccc3)CC2)cc1 ZINC000189025760 145021072 /nfs/dbraw/zinc/02/10/72/145021072.db2.gz OFZPMMGJHAVTFJ-QGZVFWFLSA-N 0 0 306.365 2.440 10 30 DEEERN CN(C)c1noc(C2CCN(Cc3ccc(C#N)s3)CC2)n1 ZINC000191908978 145067726 /nfs/dbraw/zinc/06/77/26/145067726.db2.gz MMGSJMZZCNPZBE-UHFFFAOYSA-N 0 0 317.418 2.448 10 30 DEEERN N#Cc1nc(N)n(Cc2coc(-c3ccc(F)cc3)n2)c1C#N ZINC000193057525 145081360 /nfs/dbraw/zinc/08/13/60/145081360.db2.gz YKADYQZPJKAYFU-UHFFFAOYSA-N 0 0 308.276 2.051 10 30 DEEERN N#Cc1cc(C(=O)NCCOc2ccc(F)cc2F)ccn1 ZINC000193178373 145083562 /nfs/dbraw/zinc/08/35/62/145083562.db2.gz UGWMHBRDCXFLND-UHFFFAOYSA-N 0 0 303.268 2.040 10 30 DEEERN C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccnc(C#N)c1 ZINC000193558648 145087100 /nfs/dbraw/zinc/08/71/00/145087100.db2.gz JAMNKTXKVIZWKU-LLVKDONJSA-N 0 0 311.316 2.484 10 30 DEEERN N#Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3ccnc(N)n3)C2)c1 ZINC000193534837 145087154 /nfs/dbraw/zinc/08/71/54/145087154.db2.gz HEELEBHYTKGITK-GFCCVEGCSA-N 0 0 324.344 2.223 10 30 DEEERN C[C@H](NC(=O)Nc1ccc(C#N)cc1)c1nnc2n1CCCC2 ZINC000193625761 145088245 /nfs/dbraw/zinc/08/82/45/145088245.db2.gz HYLYRVLCNZHNPY-NSHDSACASA-N 0 0 310.361 2.369 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000246733880 145112736 /nfs/dbraw/zinc/11/27/36/145112736.db2.gz OUGAQEWCLQKFFR-BPUTZDHNSA-N 0 0 314.385 2.353 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC000246813503 145115270 /nfs/dbraw/zinc/11/52/70/145115270.db2.gz PXAMDUQPDNKEJY-IXDOHACOSA-N 0 0 304.365 2.466 10 30 DEEERN CCc1nc(CNS(=O)(=O)c2ccc(C#N)s2)cs1 ZINC000328090147 145382339 /nfs/dbraw/zinc/38/23/39/145382339.db2.gz FMJWLNYKWPQJDH-UHFFFAOYSA-N 0 0 313.429 2.117 10 30 DEEERN Cc1ccnc(C2CCN(c3nnc(C)c(C)c3C#N)CC2)n1 ZINC000371823099 148143610 /nfs/dbraw/zinc/14/36/10/148143610.db2.gz PMPHJARZCYFHRO-UHFFFAOYSA-N 0 0 308.389 2.448 10 30 DEEERN C=CC1CCN(C(=O)NC2CCN(c3ncccn3)CC2)CC1 ZINC000111813493 401724481 /nfs/dbraw/zinc/72/44/81/401724481.db2.gz VGSFTMWOOQOVPY-UHFFFAOYSA-N 0 0 315.421 2.053 10 30 DEEERN N#Cc1ccccc1S(=O)(=O)NCCc1cc(F)ccc1F ZINC000075001193 401747177 /nfs/dbraw/zinc/74/71/77/401747177.db2.gz OMPJXZRWSYOXSF-UHFFFAOYSA-N 0 0 322.336 2.357 10 30 DEEERN C#CCCCCNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000126620515 401701633 /nfs/dbraw/zinc/70/16/33/401701633.db2.gz XZFLTRDMVPBSMZ-UHFFFAOYSA-N 0 0 311.794 2.070 10 30 DEEERN N#Cc1ccc(CSCC(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000077155507 401804438 /nfs/dbraw/zinc/80/44/38/401804438.db2.gz ITUHKDZTIRCYIF-HOTGVXAUSA-N 0 0 318.442 2.459 10 30 DEEERN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC2(C)C)c1 ZINC000077352317 401811717 /nfs/dbraw/zinc/81/17/17/401811717.db2.gz LAAMNIWALVGCGG-UHFFFAOYSA-N 0 0 322.430 2.166 10 30 DEEERN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1(C#N)CCCC1 ZINC000112903669 401761067 /nfs/dbraw/zinc/76/10/67/401761067.db2.gz JEKLNWDHWGUCGJ-LLVKDONJSA-N 0 0 319.792 2.411 10 30 DEEERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000115171114 401820716 /nfs/dbraw/zinc/82/07/16/401820716.db2.gz HLFCBMLYFLJDSR-OAHLLOKOSA-N 0 0 314.389 2.423 10 30 DEEERN C=CC[N@@H+](CCC(=O)N(C)CC)Cc1cccc([N+](=O)[O-])c1 ZINC000130231107 401823563 /nfs/dbraw/zinc/82/35/63/401823563.db2.gz PFWALSNDLDOJQS-UHFFFAOYSA-N 0 0 305.378 2.451 10 30 DEEERN Cc1ccc(CC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1O ZINC000130501445 401834131 /nfs/dbraw/zinc/83/41/31/401834131.db2.gz QGDITSOJJPORPG-UHFFFAOYSA-N 0 0 322.364 2.405 10 30 DEEERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)n1 ZINC000116777599 401858426 /nfs/dbraw/zinc/85/84/26/401858426.db2.gz PNJHIAKHDLMQHE-MRXNPFEDSA-N 0 0 323.400 2.319 10 30 DEEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CC=C(c2ccccc2)CC1 ZINC000030630897 401864966 /nfs/dbraw/zinc/86/49/66/401864966.db2.gz BHJOXYXAVOALDS-CQSZACIVSA-N 0 0 313.401 2.176 10 30 DEEERN C=C(C)CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000119154818 401929294 /nfs/dbraw/zinc/92/92/94/401929294.db2.gz QAWUYPDLOBTDLW-UHFFFAOYSA-N 0 0 304.755 2.411 10 30 DEEERN C#CCCCCNC(=O)NCc1c(OC)cc(OC)cc1OC ZINC000119165461 401930855 /nfs/dbraw/zinc/93/08/55/401930855.db2.gz JDJOEKZGRFSRLG-UHFFFAOYSA-N 0 0 320.389 2.315 10 30 DEEERN Cc1ccc(-n2nccc2NC(=O)c2ccc(C#N)cc2C)nn1 ZINC000133478110 401888250 /nfs/dbraw/zinc/88/82/50/401888250.db2.gz FDINJYWRJWXFGF-UHFFFAOYSA-N 0 0 318.340 2.403 10 30 DEEERN C[C@@H]1CC[C@@H](C)N(CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000081517242 401896592 /nfs/dbraw/zinc/89/65/92/401896592.db2.gz ICEXIZZBLXUIRO-ZIAGYGMSSA-N 0 0 306.431 2.452 10 30 DEEERN C=CCNC(=O)CN(Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000083595327 401901278 /nfs/dbraw/zinc/90/12/78/401901278.db2.gz CDOUSIHUJVGADD-UHFFFAOYSA-N 0 0 324.428 2.398 10 30 DEEERN C=CCNC(=O)CN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134829592 401916079 /nfs/dbraw/zinc/91/60/79/401916079.db2.gz DYZOPNZINQVGHI-HNNXBMFYSA-N 0 0 304.365 2.165 10 30 DEEERN CC(C)[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000134980764 401922660 /nfs/dbraw/zinc/92/26/60/401922660.db2.gz URRYVIDQHDNYER-OAHLLOKOSA-N 0 0 306.431 2.310 10 30 DEEERN C=C(C)COCCNC(=O)NCCOc1ccc(F)cc1F ZINC000135019573 401923521 /nfs/dbraw/zinc/92/35/21/401923521.db2.gz CDDQBFJFAGTARO-UHFFFAOYSA-N 0 0 314.332 2.236 10 30 DEEERN Cc1cccn2c1ncc(C(=O)N(C)c1cccc(C#N)c1)c2=O ZINC000091038261 401990893 /nfs/dbraw/zinc/99/08/93/401990893.db2.gz ZSOBOOSQXFZOMD-UHFFFAOYSA-N 0 0 318.336 2.151 10 30 DEEERN C[C@@]1(C(=O)N2CCCN(c3ccccc3C#N)CC2)CCCO1 ZINC000120518194 401992725 /nfs/dbraw/zinc/99/27/25/401992725.db2.gz STRVQMVJAQZRHH-SFHVURJKSA-N 0 0 313.401 2.166 10 30 DEEERN C=C(C)CN(CC)C(=O)C1CCN(Cc2nccn2C)CC1 ZINC000043269635 401937788 /nfs/dbraw/zinc/93/77/88/401937788.db2.gz HXXVMXPBXVJJDC-UHFFFAOYSA-N 0 0 304.438 2.057 10 30 DEEERN C=CCOc1ccccc1CN(C)Cc1nc(CCOC)no1 ZINC000093587239 402016311 /nfs/dbraw/zinc/01/63/11/402016311.db2.gz HXWABONUVOEMJW-UHFFFAOYSA-N 0 0 317.389 2.455 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NCCc1nccs1 ZINC000050450867 402028540 /nfs/dbraw/zinc/02/85/40/402028540.db2.gz WWCZRXUILHWXHR-NSHDSACASA-N 0 0 301.371 2.141 10 30 DEEERN C#CCOc1ccc(C(=O)N2CCC(Cn3cccn3)CC2)cc1 ZINC000121843999 402054676 /nfs/dbraw/zinc/05/46/76/402054676.db2.gz DIIXNCFYYVMMHY-UHFFFAOYSA-N 0 0 323.396 2.448 10 30 DEEERN C=CCNC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000056781035 402090534 /nfs/dbraw/zinc/09/05/34/402090534.db2.gz IAAQGRKVIOBTJK-UHFFFAOYSA-N 0 0 322.796 2.281 10 30 DEEERN N#Cc1cccnc1N1CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000122915744 402100876 /nfs/dbraw/zinc/10/08/76/402100876.db2.gz PHJXXGHNWKITGA-UHFFFAOYSA-N 0 0 318.384 2.152 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc[nH]c1=O ZINC000063340845 402112074 /nfs/dbraw/zinc/11/20/74/402112074.db2.gz CPXWWISTPWZNCH-UHFFFAOYSA-N 0 0 313.313 2.112 10 30 DEEERN C=CCNC(=O)CN1CCN(C/C(C)=C\c2ccccc2)CC1 ZINC000122235282 402067812 /nfs/dbraw/zinc/06/78/12/402067812.db2.gz NUWMVQBFXVLOAP-VKAVYKQESA-N 0 0 313.445 2.010 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000066311373 402130488 /nfs/dbraw/zinc/13/04/88/402130488.db2.gz ZLBSJMAWGQTJIS-OCCSQVGLSA-N 0 0 323.414 2.003 10 30 DEEERN N#CC1(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)CCCC1 ZINC000097375866 402123355 /nfs/dbraw/zinc/12/33/55/402123355.db2.gz YSUICZXXABGVKO-NSHDSACASA-N 0 0 303.328 2.213 10 30 DEEERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NC2(C#N)CCCC2)C1 ZINC000101642189 402152702 /nfs/dbraw/zinc/15/27/02/402152702.db2.gz PLTPWVORGHOAQC-UONOGXRCSA-N 0 0 305.422 2.224 10 30 DEEERN C=CCCC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000068147137 402185044 /nfs/dbraw/zinc/18/50/44/402185044.db2.gz NOPIBVRPGCZKTQ-UHFFFAOYSA-N 0 0 312.366 2.270 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1nc(CCOC)no1 ZINC000103349677 402185176 /nfs/dbraw/zinc/18/51/76/402185176.db2.gz NLUVRWLEFAIVKL-UHFFFAOYSA-N 0 0 319.317 2.474 10 30 DEEERN CCN(Cc1cnn(C)c1)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000068268070 402189676 /nfs/dbraw/zinc/18/96/76/402189676.db2.gz GROQVWCIOHVPHA-ZDUSSCGKSA-N 0 0 312.373 2.108 10 30 DEEERN C=CCN(Cc1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1 ZINC000124743925 402194853 /nfs/dbraw/zinc/19/48/53/402194853.db2.gz XTAADVSCOQOSDA-INIZCTEOSA-N 0 0 316.426 2.410 10 30 DEEERN C=CCN(CCCS(=O)(=O)NC)Cc1ccc(Cl)s1 ZINC000104096134 402197819 /nfs/dbraw/zinc/19/78/19/402197819.db2.gz DBPJDXXZGRMEDI-UHFFFAOYSA-N 0 0 322.883 2.329 10 30 DEEERN C=CCNC(=O)N1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000153828696 402173152 /nfs/dbraw/zinc/17/31/52/402173152.db2.gz ZFMKPMBVMJTONF-UHFFFAOYSA-N 0 0 319.405 2.476 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)nc3)cc2C1=O ZINC000154783358 402231635 /nfs/dbraw/zinc/23/16/35/402231635.db2.gz BZQOCDUCWOSQJD-UHFFFAOYSA-N 0 0 321.336 2.424 10 30 DEEERN CN(C)c1ncc(NC(=O)N(CCC#N)Cc2ccco2)cn1 ZINC000155154322 402246810 /nfs/dbraw/zinc/24/68/10/402246810.db2.gz KKFQDBCXJJELSC-UHFFFAOYSA-N 0 0 314.349 2.083 10 30 DEEERN N#C[C@H](NC(=O)COc1ccc(Br)cc1)C1CC1 ZINC000108843773 402262905 /nfs/dbraw/zinc/26/29/05/402262905.db2.gz ZLFJDSNYAAQJTI-LBPRGKRZSA-N 0 0 309.163 2.246 10 30 DEEERN CCCN(CCc1ccccn1)S(=O)(=O)CCCCC#N ZINC000068905956 402208663 /nfs/dbraw/zinc/20/86/63/402208663.db2.gz KQDIMNCVRBLOHF-UHFFFAOYSA-N 0 0 309.435 2.360 10 30 DEEERN CS[C@@H](C)CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184651831 402289039 /nfs/dbraw/zinc/28/90/39/402289039.db2.gz BXRUJPHHKFIYKE-JTQLQIEISA-N 0 0 316.390 2.012 10 30 DEEERN CS[C@H](C)CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184651849 402289159 /nfs/dbraw/zinc/28/91/59/402289159.db2.gz BXRUJPHHKFIYKE-SNVBAGLBSA-N 0 0 316.390 2.012 10 30 DEEERN N#Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)nc1 ZINC000225539741 402320515 /nfs/dbraw/zinc/32/05/15/402320515.db2.gz MXCVTLMNYCXQSC-ZBFHGGJFSA-N 0 0 311.316 2.040 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CC[S@](=O)C(CC)(CC)C1 ZINC000185279367 402340873 /nfs/dbraw/zinc/34/08/73/402340873.db2.gz AHFUHEPXYXMHIZ-NRFANRHFSA-N 0 0 314.495 2.034 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccccc1-c1nncn1CC ZINC000185292558 402341576 /nfs/dbraw/zinc/34/15/76/402341576.db2.gz SVUGFUAFIQKZFS-GFCCVEGCSA-N 0 0 315.377 2.024 10 30 DEEERN C=C(C)COCCNC(=O)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000161294027 402381313 /nfs/dbraw/zinc/38/13/13/402381313.db2.gz GNAJXSALAXQDIN-ZDUSSCGKSA-N 0 0 320.389 2.041 10 30 DEEERN N#C[C@@H](NC(=O)c1ccccc1COC1CCOCC1)C1CC1 ZINC000161771842 402398628 /nfs/dbraw/zinc/39/86/28/402398628.db2.gz LYCKEUUUVLYRNM-QGZVFWFLSA-N 0 0 314.385 2.414 10 30 DEEERN N#C[C@H](NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O)C1CC1 ZINC000161831493 402400731 /nfs/dbraw/zinc/40/07/31/402400731.db2.gz OHPAZNHMFXUCHH-DOTOQJQBSA-N 0 0 311.385 2.159 10 30 DEEERN C#CCCCCNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000177470070 402405918 /nfs/dbraw/zinc/40/59/18/402405918.db2.gz BBTRPBSOQUDGBB-ZDUSSCGKSA-N 0 0 322.430 2.254 10 30 DEEERN C#CCSCCNC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000177544318 402414506 /nfs/dbraw/zinc/41/45/06/402414506.db2.gz IIBOUMRYEWRQIL-LBPRGKRZSA-N 0 0 322.434 2.406 10 30 DEEERN COC(=O)C1(NC(=O)c2ccc(C#N)cc2C)CCCCC1 ZINC000162291572 402415426 /nfs/dbraw/zinc/41/54/26/402415426.db2.gz CFHBOYOATXEEJK-UHFFFAOYSA-N 0 0 300.358 2.472 10 30 DEEERN COc1ccc(COc2ccc(-n3cnnn3)cc2)cc1C#N ZINC000162684488 402428347 /nfs/dbraw/zinc/42/83/47/402428347.db2.gz JPWWCLWQAADDSS-UHFFFAOYSA-N 0 0 307.313 2.122 10 30 DEEERN CC(C)c1nnc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)n1C ZINC000186545638 402440693 /nfs/dbraw/zinc/44/06/93/402440693.db2.gz XXQXPLCZLBROBW-UHFFFAOYSA-N 0 0 323.400 2.424 10 30 DEEERN CC(C)c1nccn1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000163132903 402442325 /nfs/dbraw/zinc/44/23/25/402442325.db2.gz YQCSQEFUCPCYEA-UHFFFAOYSA-N 0 0 303.387 2.352 10 30 DEEERN N#CCOc1ccccc1C(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000163351221 402447631 /nfs/dbraw/zinc/44/76/31/402447631.db2.gz NHHUJZBFZBTKJV-ZFWWWQNUSA-N 0 0 300.358 2.230 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000186655889 402452156 /nfs/dbraw/zinc/45/21/56/402452156.db2.gz HSCBNJZSIJFAAI-QMMMGPOBSA-N 0 0 310.202 2.209 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000185934862 402390869 /nfs/dbraw/zinc/39/08/69/402390869.db2.gz SXWKWDLXSSFBMZ-CQSZACIVSA-N 0 0 311.385 2.417 10 30 DEEERN CO[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[C@H]1C ZINC000187747792 402510097 /nfs/dbraw/zinc/51/00/97/402510097.db2.gz UBSKSKHCBQINNX-CJNGLKHVSA-N 0 0 302.374 2.015 10 30 DEEERN CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187029583 402478925 /nfs/dbraw/zinc/47/89/25/402478925.db2.gz BEJUNVLWRFFKPI-MRXNPFEDSA-N 0 0 311.429 2.390 10 30 DEEERN CCO[C@H]1C[C@@H](NC(=O)C2(C#N)CCCC2)C12CCOCC2 ZINC000187118970 402483710 /nfs/dbraw/zinc/48/37/10/402483710.db2.gz SVNGBWXFBNDADP-KGLIPLIRSA-N 0 0 306.406 2.161 10 30 DEEERN COc1ccc([C@H](C)NC(=O)c2ccc(C#N)nc2)cc1OC ZINC000170248996 402503971 /nfs/dbraw/zinc/50/39/71/402503971.db2.gz DPUSCRVCUWHAFY-NSHDSACASA-N 0 0 311.341 2.461 10 30 DEEERN C=CCn1c(S[C@H]2CCNC2=O)nnc1-c1cccc(C)c1 ZINC000179006680 402564208 /nfs/dbraw/zinc/56/42/08/402564208.db2.gz FVIDHDJTVNGXEC-ZDUSSCGKSA-N 0 0 314.414 2.420 10 30 DEEERN N#Cc1ccc(SCC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000178654371 402522292 /nfs/dbraw/zinc/52/22/92/402522292.db2.gz LOUMJKSBZPDGRF-WMZOPIPTSA-N 0 0 324.405 2.425 10 30 DEEERN CO[C@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC[C@H]1C ZINC000189353684 402534894 /nfs/dbraw/zinc/53/48/94/402534894.db2.gz WFZOTZIRZCNYRU-WBVHZDCISA-N 0 0 315.417 2.290 10 30 DEEERN Cc1nc(CN2CCCN(Cc3cc(C#N)cs3)CC2)no1 ZINC000179213979 402581651 /nfs/dbraw/zinc/58/16/51/402581651.db2.gz KJQPHFBBDIRKKZ-UHFFFAOYSA-N 0 0 317.418 2.019 10 30 DEEERN C#C[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000248534819 402595000 /nfs/dbraw/zinc/59/50/00/402595000.db2.gz JPSBBGRTDUSRGB-GLQYFDAESA-N 0 0 305.809 2.406 10 30 DEEERN COc1ccc([C@H]2CCCN2C(=O)Cn2ccnc2C#N)cc1 ZINC000179858997 402602524 /nfs/dbraw/zinc/60/25/24/402602524.db2.gz FDHYRSSSAMVFAG-OAHLLOKOSA-N 0 0 310.357 2.127 10 30 DEEERN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCN(C2CC2)CC1 ZINC000180052840 402606099 /nfs/dbraw/zinc/60/60/99/402606099.db2.gz YUHYAJAWBAEQCV-ZDUSSCGKSA-N 0 0 314.389 2.289 10 30 DEEERN CC[C@H]1C[C@H](C(=O)NCCOc2ccc(C#N)cc2)CCO1 ZINC000180281532 402612059 /nfs/dbraw/zinc/61/20/59/402612059.db2.gz NTHQRBSONLORRP-CABCVRRESA-N 0 0 302.374 2.258 10 30 DEEERN CC(C)c1nc2c(n1C)CCN(C(=O)NCCCCC#N)C2 ZINC000171870680 402630346 /nfs/dbraw/zinc/63/03/46/402630346.db2.gz FWRGWKPGGRKLAI-UHFFFAOYSA-N 0 0 303.410 2.305 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N1CCO[C@@H](c2nnc(CC)[nH]2)C1 ZINC000181102030 402635442 /nfs/dbraw/zinc/63/54/42/402635442.db2.gz VKWWCKMORRNWEF-CHWSQXEVSA-N 0 0 321.425 2.195 10 30 DEEERN C=CCn1nnnc1SCc1ccc(Br)cn1 ZINC000171932987 402634495 /nfs/dbraw/zinc/63/44/95/402634495.db2.gz XQEJSIOEUMHFTJ-UHFFFAOYSA-N 0 0 312.196 2.309 10 30 DEEERN N#Cc1cc(NC(=O)N[C@H]2Cc3ccccc3[C@H]2O)ccc1F ZINC000172488123 402658674 /nfs/dbraw/zinc/65/86/74/402658674.db2.gz PYXWPJUQIHTBCY-JKSUJKDBSA-N 0 0 311.316 2.477 10 30 DEEERN C=C[C@H](CC(=O)N1CCNC[C@H]1c1cnn(C)c1)c1ccccc1 ZINC000181448153 402646267 /nfs/dbraw/zinc/64/62/67/402646267.db2.gz NSQIVJLGTOMHTO-QAPCUYQASA-N 0 0 324.428 2.253 10 30 DEEERN N#CC1(c2ccc(C(=O)N[C@@H]3CCCn4ncnc43)cc2)CC1 ZINC000181546613 402649318 /nfs/dbraw/zinc/64/93/18/402649318.db2.gz CFTXKZHTSPDSEW-CQSZACIVSA-N 0 0 307.357 2.098 10 30 DEEERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N[C@H](C#N)C2CC2)C1 ZINC000253550828 402668546 /nfs/dbraw/zinc/66/85/46/402668546.db2.gz YQDIGGFQALMWKW-YNEHKIRRSA-N 0 0 307.394 2.098 10 30 DEEERN C#CCOc1ccc(CN[C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000173361318 402693713 /nfs/dbraw/zinc/69/37/13/402693713.db2.gz VSLJNMJGRDMUDZ-AWEZNQCLSA-N 0 0 310.401 2.477 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000182947191 402728928 /nfs/dbraw/zinc/72/89/28/402728928.db2.gz UXRZOFWYZXEGPO-CQSZACIVSA-N 0 0 319.405 2.139 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccccc1OCC(C)C ZINC000182996337 402731857 /nfs/dbraw/zinc/73/18/57/402731857.db2.gz JBTRUVOSYVBNCI-HNNXBMFYSA-N 0 0 306.406 2.458 10 30 DEEERN C=C(C)CN(C)S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000183296338 402754075 /nfs/dbraw/zinc/75/40/75/402754075.db2.gz ZIJATBWKCCTXGP-UHFFFAOYSA-N 0 0 317.794 2.323 10 30 DEEERN CN1CCN([C@H]2CCCC[N@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000174895254 402761285 /nfs/dbraw/zinc/76/12/85/402761285.db2.gz PATVDLGDOOPYFY-IBGZPJMESA-N 0 0 312.461 2.160 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000183887195 402803666 /nfs/dbraw/zinc/80/36/66/402803666.db2.gz FAHQWGJLQDOWGD-TZMCWYRMSA-N 0 0 319.430 2.090 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(C)n(-c2cccc(F)c2)n1 ZINC000184031934 402813242 /nfs/dbraw/zinc/81/32/42/402813242.db2.gz ITORBVXURZMTMC-CYBMUJFWSA-N 0 0 318.352 2.378 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000278425953 402866371 /nfs/dbraw/zinc/86/63/71/402866371.db2.gz YJCMZVZPBZESGZ-IUODEOHRSA-N 0 0 302.330 2.465 10 30 DEEERN C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000278906535 402884348 /nfs/dbraw/zinc/88/43/48/402884348.db2.gz YXLPIPJOKRIYJS-PVAVHDDUSA-N 0 0 324.371 2.153 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(NS(C)(=O)=O)cc1 ZINC000274303761 403043216 /nfs/dbraw/zinc/04/32/16/403043216.db2.gz UNUCOAUBPJJMNB-GFCCVEGCSA-N 0 0 310.419 2.277 10 30 DEEERN C=CC[C@H](CC)NC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000281213350 403060830 /nfs/dbraw/zinc/06/08/30/403060830.db2.gz CMENKTDCIGJUMC-JKSUJKDBSA-N 0 0 317.433 2.340 10 30 DEEERN C=CCN1CC[C@@H](N(C)CC(=O)c2c[nH]c3ccccc32)C1=O ZINC000281498587 403069877 /nfs/dbraw/zinc/06/98/77/403069877.db2.gz XXRRFXVCKNZOKH-MRXNPFEDSA-N 0 0 311.385 2.069 10 30 DEEERN Cn1cc([C@]2(C)CN(c3cccc(F)c3C#N)CCO2)cn1 ZINC000268386205 403078661 /nfs/dbraw/zinc/07/86/61/403078661.db2.gz KWLSRQWWGNCLJB-INIZCTEOSA-N 0 0 300.337 2.183 10 30 DEEERN Cn1cc([C@@]2(C)CN(c3ccc(Cl)c(C#N)n3)CCO2)cn1 ZINC000268394336 403079401 /nfs/dbraw/zinc/07/94/01/403079401.db2.gz NIXAAMTZBFKOGT-OAHLLOKOSA-N 0 0 317.780 2.092 10 30 DEEERN COc1ccc(CN(C)C(=O)c2ccc(C#N)n2C)c(OC)c1 ZINC000448572529 286302602 /nfs/dbraw/zinc/30/26/02/286302602.db2.gz JOJFYQWDOLEXQN-UHFFFAOYSA-N 0 0 313.357 2.186 10 30 DEEERN Cc1ccc2c(c1)N(S(=O)(=O)N(C)[C@@H](C)CC#N)C[C@H](C)O2 ZINC000282965421 403164168 /nfs/dbraw/zinc/16/41/68/403164168.db2.gz KTSGRVVTZXCRRO-STQMWFEESA-N 0 0 323.418 2.061 10 30 DEEERN N#Cc1c[nH]c(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000269814099 403168027 /nfs/dbraw/zinc/16/80/27/403168027.db2.gz DECCWTJYJNWVPK-ABAIWWIYSA-N 0 0 317.295 2.113 10 30 DEEERN N#Cc1c[nH]c(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000269814105 403168063 /nfs/dbraw/zinc/16/80/63/403168063.db2.gz DECCWTJYJNWVPK-NHYWBVRUSA-N 0 0 317.295 2.113 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N(C)Cc1ccc(C)o1 ZINC000282693425 403158510 /nfs/dbraw/zinc/15/85/10/403158510.db2.gz UKSKRCVCTUGEQZ-CQSZACIVSA-N 0 0 318.377 2.090 10 30 DEEERN C#CCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000270647018 403208475 /nfs/dbraw/zinc/20/84/75/403208475.db2.gz LBNMUKXGCJMMLL-CABCVRRESA-N 0 0 307.344 2.033 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(C)CC1 ZINC000283665644 403213445 /nfs/dbraw/zinc/21/34/45/403213445.db2.gz QSKMXVHJOQBRGW-AWEZNQCLSA-N 0 0 306.410 2.178 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCOC[C@H]1C ZINC000277636262 403239306 /nfs/dbraw/zinc/23/93/06/403239306.db2.gz ZELRZXXOBZXJJW-DGCLKSJQSA-N 0 0 306.337 2.384 10 30 DEEERN C#C[C@@H](C)NC(=O)N[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000276649347 403192597 /nfs/dbraw/zinc/19/25/97/403192597.db2.gz PTDJNQLUBHBJDX-HUUCEWRRSA-N 0 0 313.401 2.038 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000277259771 403198826 /nfs/dbraw/zinc/19/88/26/403198826.db2.gz ALNSWLAECQUGFG-UHFFFAOYSA-N 0 0 311.381 2.251 10 30 DEEERN C=CCN(Cc1cc(C)c(O)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000284085711 403243975 /nfs/dbraw/zinc/24/39/75/403243975.db2.gz NTRHSQCMOAGZSK-HNNXBMFYSA-N 0 0 309.431 2.184 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000277862578 403265537 /nfs/dbraw/zinc/26/55/37/403265537.db2.gz ZJRCZNTWXAOAQN-CYBMUJFWSA-N 0 0 308.381 2.411 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](C)Cc1ccccc1C ZINC000285275678 403280312 /nfs/dbraw/zinc/28/03/12/403280312.db2.gz UQBNPDHKUTYMLE-HNNXBMFYSA-N 0 0 302.418 2.467 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1snnc1C ZINC000292071740 403284028 /nfs/dbraw/zinc/28/40/28/403284028.db2.gz PWCYKUJCNHNZRC-AWEZNQCLSA-N 0 0 314.414 2.280 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](CO)C1CCCC1 ZINC000292144336 403304236 /nfs/dbraw/zinc/30/42/36/403304236.db2.gz YLHZZJOFRLBPES-MSOLQXFVSA-N 0 0 314.429 2.471 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H]1CCCOc2ccccc21 ZINC000285800817 403383668 /nfs/dbraw/zinc/38/36/68/403383668.db2.gz DOGBSIHQBWMRLX-OAHLLOKOSA-N 0 0 316.401 2.441 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293387430 403459278 /nfs/dbraw/zinc/45/92/78/403459278.db2.gz DNUQMVHMEWMZHK-MRVPVSSYSA-N 0 0 318.251 2.280 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)Nc1ccc(C(=O)N(C)C)nn1 ZINC000298876629 403478077 /nfs/dbraw/zinc/47/80/77/403478077.db2.gz KOGDVJIXTKZGAV-HNNXBMFYSA-N 0 0 308.385 2.225 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCC(=O)OCCC ZINC000286700554 403543636 /nfs/dbraw/zinc/54/36/36/403543636.db2.gz ABUKDLGRICSCIR-MRXNPFEDSA-N 0 0 316.401 2.264 10 30 DEEERN C=CCOc1ccc(CNc2cncc(OCCO)n2)cc1 ZINC000343238446 403506611 /nfs/dbraw/zinc/50/66/11/403506611.db2.gz ZWCUFQAFBAPFPJ-UHFFFAOYSA-N 0 0 301.346 2.025 10 30 DEEERN C=CCCC[C@H](C)NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000343261859 403516542 /nfs/dbraw/zinc/51/65/42/403516542.db2.gz TWOMKXTWGFJMFQ-ZDUSSCGKSA-N 0 0 313.401 2.337 10 30 DEEERN C=C(C)CN(CC)C(=O)CCC(=O)Nc1nnc(C2CC2)o1 ZINC000346554028 403593749 /nfs/dbraw/zinc/59/37/49/403593749.db2.gz UVABUNZNQVVUIT-UHFFFAOYSA-N 0 0 306.366 2.090 10 30 DEEERN C=CCCCN(C)c1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000287362523 403582748 /nfs/dbraw/zinc/58/27/48/403582748.db2.gz QAIZUZYDGDREOX-UHFFFAOYSA-N 0 0 309.435 2.269 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@H](O)c1c(F)cccc1Cl ZINC000287626094 403637852 /nfs/dbraw/zinc/63/78/52/403637852.db2.gz MYIXHIGBZSLPRV-CQSZACIVSA-N 0 0 307.752 2.292 10 30 DEEERN C=CC[C@@H](CO)Nc1ccc(-c2nc(C)c(C)c(=O)[nH]2)cn1 ZINC000302136934 403708176 /nfs/dbraw/zinc/70/81/76/403708176.db2.gz MZZRXKVPGLGFSP-ZDUSSCGKSA-N 0 0 300.362 2.210 10 30 DEEERN Cn1cc([C@]2(C)CN(c3c(F)cc(C#N)cc3F)CCO2)cn1 ZINC000301628224 403656171 /nfs/dbraw/zinc/65/61/71/403656171.db2.gz BNCUKWCSVCRRHQ-INIZCTEOSA-N 0 0 318.327 2.322 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1c(F)cccc1N1CCCC1 ZINC000287769615 403663227 /nfs/dbraw/zinc/66/32/27/403663227.db2.gz MUDARGFNHZJQJE-ZDUSSCGKSA-N 0 0 321.396 2.162 10 30 DEEERN C=CCO[C@@H]1CCN(c2nc(N(C)C)cc(C(F)(F)F)n2)C1 ZINC000302184469 403709303 /nfs/dbraw/zinc/70/93/03/403709303.db2.gz SXMVJCHJZYGDRH-SNVBAGLBSA-N 0 0 316.327 2.343 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@@H](C)Oc1ccc(F)cc1 ZINC000287995089 403705456 /nfs/dbraw/zinc/70/54/56/403705456.db2.gz KATYAFPDOMESMQ-CYBMUJFWSA-N 0 0 322.380 2.134 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cc(N2CCOCC2)ccc1C ZINC000288209065 403741807 /nfs/dbraw/zinc/74/18/07/403741807.db2.gz QDHGWOHWJNWIMG-UHFFFAOYSA-N 0 0 310.397 2.433 10 30 DEEERN C#C[C@@H](NC(=O)NCc1cccnc1-n1ccnc1)C(C)(C)C ZINC000288612011 403759930 /nfs/dbraw/zinc/75/99/30/403759930.db2.gz NOIRKDCSWQPMKF-CQSZACIVSA-N 0 0 311.389 2.114 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000288731228 403762635 /nfs/dbraw/zinc/76/26/35/403762635.db2.gz AYNRWTYGTKDCGB-INIZCTEOSA-N 0 0 310.397 2.053 10 30 DEEERN CC#CCNC(=O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000354470703 403820697 /nfs/dbraw/zinc/82/06/97/403820697.db2.gz ORMUKMZQBUYJPZ-UHFFFAOYSA-N 0 0 317.345 2.027 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@@H](CC)[C@H](O)C(F)F)cc1 ZINC000295404970 403906371 /nfs/dbraw/zinc/90/63/71/403906371.db2.gz HICMOFKSKXCUIS-ZFWWWQNUSA-N 0 0 313.344 2.315 10 30 DEEERN Cn1ccc([C@H](NC(=O)CCCC#N)c2ccc(F)cc2)n1 ZINC000362040959 403920109 /nfs/dbraw/zinc/92/01/09/403920109.db2.gz SXWIXYKYLCBHGU-MRXNPFEDSA-N 0 0 300.337 2.459 10 30 DEEERN C=CCC(F)(F)C(=O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000295436056 403923044 /nfs/dbraw/zinc/92/30/44/403923044.db2.gz UDZUZLXRINFHSK-RKDXNWHRSA-N 0 0 301.255 2.360 10 30 DEEERN COC[C@@](C)(NC(=O)c1cccc(CC#N)c1)C(F)(F)F ZINC000362207799 403935836 /nfs/dbraw/zinc/93/58/36/403935836.db2.gz MDSAHXNDJGWQHV-CYBMUJFWSA-N 0 0 300.280 2.450 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cnc3ccc(F)cc3c2)CCN1C1CC1 ZINC000362473887 403958561 /nfs/dbraw/zinc/95/85/61/403958561.db2.gz PHFGSZFVXWHVGE-INIZCTEOSA-N 0 0 324.359 2.186 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(OCC(=O)OC)cc1 ZINC000362810092 403990815 /nfs/dbraw/zinc/99/08/15/403990815.db2.gz XAWPIVWREFWDOM-HOCLYGCPSA-N 0 0 319.357 2.158 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N(C)C1CCCCC1 ZINC000289818013 403999922 /nfs/dbraw/zinc/99/99/22/403999922.db2.gz WBOGZJBOLDCSIK-CQSZACIVSA-N 0 0 306.410 2.321 10 30 DEEERN C=C[C@@H](C)NC(=O)[C@@H](NC(=O)NCc1ccc(F)cc1)C(C)C ZINC000362616503 403975665 /nfs/dbraw/zinc/97/56/65/403975665.db2.gz WZOAJIMYQBTGHZ-DOMZBBRYSA-N 0 0 321.396 2.340 10 30 DEEERN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCOC[C@H]1C ZINC000296108499 404098835 /nfs/dbraw/zinc/09/88/35/404098835.db2.gz VRXPGPWNXDYXRF-KGLIPLIRSA-N 0 0 306.410 2.321 10 30 DEEERN C=CCOCC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)OC ZINC000354844040 404049227 /nfs/dbraw/zinc/04/92/27/404049227.db2.gz IKJMPADHFCFTMB-AWEZNQCLSA-N 0 0 305.374 2.027 10 30 DEEERN C=CCOC[C@H]1NC(=O)N(C[C@@H](C)c2ccc(F)cc2F)C1=O ZINC000348509839 404073421 /nfs/dbraw/zinc/07/34/21/404073421.db2.gz LKBKIKNPRBQWHH-QMTHXVAHSA-N 0 0 324.327 2.191 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)NC[C@@H]1CCC[C@@H](O)C1)CCC2 ZINC000328641720 404122538 /nfs/dbraw/zinc/12/25/38/404122538.db2.gz DIEACLBAWRKMRZ-QLFBSQMISA-N 0 0 320.437 2.124 10 30 DEEERN CN1CCO[C@H](CN(CC2CC2)C(=O)NC(C2CC2)C2CC2)C1 ZINC000328656699 404125610 /nfs/dbraw/zinc/12/56/10/404125610.db2.gz ZOYWFQMRZONWGG-INIZCTEOSA-N 0 0 321.465 2.132 10 30 DEEERN N#C[C@@H]1CN(C(=O)NCCCc2ccccc2)CCN1C1CC1 ZINC000363521011 404172962 /nfs/dbraw/zinc/17/29/62/404172962.db2.gz XBJQCHYUQMXGPX-QGZVFWFLSA-N 0 0 312.417 2.001 10 30 DEEERN C=CCN(C(=O)[C@@H](CC)OC)c1nc(C(=O)OCC)cs1 ZINC000355072716 404199441 /nfs/dbraw/zinc/19/94/41/404199441.db2.gz HVTPLJSMSVXOGV-LLVKDONJSA-N 0 0 312.391 2.264 10 30 DEEERN C#CCOc1ccccc1NC(=O)C(=O)NCCCC(C)(F)F ZINC000296409094 404235299 /nfs/dbraw/zinc/23/52/99/404235299.db2.gz YMXJZIJKPUEHDD-UHFFFAOYSA-N 0 0 324.327 2.189 10 30 DEEERN O=C(CN1CCn2c(nnc2C2CC2)C1)Nc1ccccc1F ZINC000329165573 404250639 /nfs/dbraw/zinc/25/06/39/404250639.db2.gz HNEVFVFTBCIEAU-UHFFFAOYSA-N 0 0 315.352 2.398 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H](C)S(=O)(=O)c1ccccc1OC ZINC000344645663 404282054 /nfs/dbraw/zinc/28/20/54/404282054.db2.gz PQMFJEWLIFCDGJ-CYBMUJFWSA-N 0 0 323.414 2.058 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000355564888 404349962 /nfs/dbraw/zinc/34/99/62/404349962.db2.gz OQWDYXWHIKTPFP-DOTOQJQBSA-N 0 0 307.365 2.361 10 30 DEEERN C=CCN(C(=O)[C@H](C)CC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000355621082 404354845 /nfs/dbraw/zinc/35/48/45/404354845.db2.gz LUPHGVCHMICFDC-OLZOCXBDSA-N 0 0 301.452 2.260 10 30 DEEERN C=CCOCCNC(=O)N1CCC[C@@H]1c1ccc(COC)o1 ZINC000364130679 404323282 /nfs/dbraw/zinc/32/32/82/404323282.db2.gz XURNPESJZKRMDW-CQSZACIVSA-N 0 0 308.378 2.475 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000412590422 404364272 /nfs/dbraw/zinc/36/42/72/404364272.db2.gz OYTPSQMNAFLPBL-KDOFPFPSSA-N 0 0 300.402 2.244 10 30 DEEERN NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CC3(CCC3)[C@@H]2C2CC2)O1 ZINC000329540073 404369436 /nfs/dbraw/zinc/36/94/36/404369436.db2.gz CSZPTFQWIFASMU-AGIUHOORSA-N 0 0 307.394 2.248 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@@H]1C[C@H](OCC)[C@@H]1n1cccn1)OCC ZINC000342114783 404376012 /nfs/dbraw/zinc/37/60/12/404376012.db2.gz CTMJTJFHYRKACO-WBTNSWJXSA-N 0 0 321.421 2.089 10 30 DEEERN C=C[C@@](C)(O)CC(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000356010390 404386224 /nfs/dbraw/zinc/38/62/24/404386224.db2.gz ODUZASFSDRICPJ-QGZVFWFLSA-N 0 0 322.836 2.141 10 30 DEEERN CCc1ccc(Cn2cc(Br)cc(C#N)c2=O)nc1 ZINC000338571861 404410589 /nfs/dbraw/zinc/41/05/89/404410589.db2.gz MFWHZFKKDJCCPX-UHFFFAOYSA-N 0 0 318.174 2.488 10 30 DEEERN Cn1cc(CNC(=O)N2CCO[C@H](C3CCCCC3)C2)cn1 ZINC000329680753 404420171 /nfs/dbraw/zinc/42/01/71/404420171.db2.gz RMRSAQABGPEMIF-HNNXBMFYSA-N 0 0 306.410 2.115 10 30 DEEERN C#Cc1ccc(CNC(=O)N[C@H](C)CCC(=O)OCC)cc1 ZINC000297268396 404527635 /nfs/dbraw/zinc/52/76/35/404527635.db2.gz KMHFXOKCERDKJO-CYBMUJFWSA-N 0 0 302.374 2.199 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccnnc1C ZINC000350662066 404437262 /nfs/dbraw/zinc/43/72/62/404437262.db2.gz HNSDWLTVUCZUMJ-UHFFFAOYSA-N 0 0 316.361 2.481 10 30 DEEERN O=C(N[C@@H]1CCO[C@H]1c1ccccc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000330017554 404528422 /nfs/dbraw/zinc/52/84/22/404528422.db2.gz RHWXBCUUANLRMH-QXSJWSMHSA-N 0 0 302.374 2.294 10 30 DEEERN C=CCC[C@@H](NC(=O)N[C@H]1CCCNC1=O)c1ccccc1 ZINC000297297531 404541914 /nfs/dbraw/zinc/54/19/14/404541914.db2.gz MDHJOOHEMGBFRD-CABCVRRESA-N 0 0 301.390 2.272 10 30 DEEERN O=C(NCc1cccc(N2CCOCC2)n1)[C@@H]1C[C@H]1C1CC1 ZINC000330093428 404550206 /nfs/dbraw/zinc/55/02/06/404550206.db2.gz RMQVNDBFPDOMCR-LSDHHAIUSA-N 0 0 301.390 2.421 10 30 DEEERN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCO[C@H](C2CC2)C1 ZINC000330127906 404560329 /nfs/dbraw/zinc/56/03/29/404560329.db2.gz JFWAYOMACIKRMH-OCCSQVGLSA-N 0 0 306.410 2.124 10 30 DEEERN C#Cc1ccc(CNC(=O)N[C@H](CC)[C@@H](O)C(F)(F)F)cc1 ZINC000297718590 404600566 /nfs/dbraw/zinc/60/05/66/404600566.db2.gz SISCEPFNZFVNDF-CHWSQXEVSA-N 0 0 314.307 2.169 10 30 DEEERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)NC2CCCCC2)C1 ZINC000330322643 404625035 /nfs/dbraw/zinc/62/50/35/404625035.db2.gz GZAYFZIEKBAARI-UONOGXRCSA-N 0 0 322.409 2.429 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N(C[C@@H]1CCC(=O)N1)C(C)C ZINC000414535100 404669541 /nfs/dbraw/zinc/66/95/41/404669541.db2.gz HKKOQCANKNQXOV-AWEZNQCLSA-N 0 0 319.453 2.471 10 30 DEEERN C=CC[C@H](CO)NC(=O)CN(CC)Cc1ccccc1Cl ZINC000357645901 404740518 /nfs/dbraw/zinc/74/05/18/404740518.db2.gz BILNTWPWJYEPQW-CQSZACIVSA-N 0 0 310.825 2.215 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)N[C@H](CCOC)COC ZINC000358344262 404760316 /nfs/dbraw/zinc/76/03/16/404760316.db2.gz OCFROOOYPUAHQX-CYBMUJFWSA-N 0 0 312.435 2.497 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000353015178 404721174 /nfs/dbraw/zinc/72/11/74/404721174.db2.gz LRSYYKXPURPCQN-QGZVFWFLSA-N 0 0 310.438 2.073 10 30 DEEERN CC1(C#N)CCN(C(=O)CCc2nc(-c3ccco3)no2)CC1 ZINC000356987709 404723790 /nfs/dbraw/zinc/72/37/90/404723790.db2.gz RZEDJMALLCWCTH-UHFFFAOYSA-N 0 0 314.345 2.414 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000358834656 404777486 /nfs/dbraw/zinc/77/74/86/404777486.db2.gz UNVCEDSXCDXZAQ-UHFFFAOYSA-N 0 0 324.764 2.100 10 30 DEEERN C=CC[C@@H](CO)CN[C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000359200223 404786661 /nfs/dbraw/zinc/78/66/61/404786661.db2.gz AIZSZMNLQUMBDS-DYVFJYSZSA-N 0 0 303.381 2.423 10 30 DEEERN Cc1nnc([C@@H]2CN(c3c(C#N)cnc4ccccc43)CCO2)o1 ZINC000376045747 404793415 /nfs/dbraw/zinc/79/34/15/404793415.db2.gz XPOFIVYPCCKXIB-HNNXBMFYSA-N 0 0 321.340 2.376 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N[C@@H](CC)c1c(C)nn(C)c1C ZINC000360105601 404818069 /nfs/dbraw/zinc/81/80/69/404818069.db2.gz XMERPUWPPXWVON-AWEZNQCLSA-N 0 0 320.437 2.029 10 30 DEEERN CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2ccc(C#N)n2C)[nH]1 ZINC000451169179 404886482 /nfs/dbraw/zinc/88/64/82/404886482.db2.gz ZJFBNCDRZMNDNR-VHSXEESVSA-N 0 0 300.366 2.019 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000367208416 404964933 /nfs/dbraw/zinc/96/49/33/404964933.db2.gz WFPJTKRMZOYGEQ-BJJXKVORSA-N 0 0 318.421 2.078 10 30 DEEERN CCCN(C(=O)c1ccc(C#N)n1C)[C@H](CC)C(=O)OCC ZINC000451356834 404966095 /nfs/dbraw/zinc/96/60/95/404966095.db2.gz XOMIUNDDYWEYDE-CYBMUJFWSA-N 0 0 305.378 2.091 10 30 DEEERN C=CCOC[C@@H](NC1CC(c2ccc(F)cc2)C1)C(=O)OC ZINC000361109919 404922932 /nfs/dbraw/zinc/92/29/32/404922932.db2.gz GCWYJLFBOHRNPQ-AVVWSFFYSA-N 0 0 307.365 2.406 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCCN(C(=O)C(C)(C)C)CC1)OCC ZINC000361204658 404971450 /nfs/dbraw/zinc/97/14/50/404971450.db2.gz OEJYGCJWJSYJQX-HNNXBMFYSA-N 0 0 324.465 2.465 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N[C@H](CCO)c1ccc(Cl)cc1 ZINC000451768358 405030729 /nfs/dbraw/zinc/03/07/29/405030729.db2.gz IISXJHSBRBRKEU-CQSZACIVSA-N 0 0 317.776 2.404 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000361485207 405094357 /nfs/dbraw/zinc/09/43/57/405094357.db2.gz MLGBTJKTDBXJKI-LZLYRXPVSA-N 0 0 324.465 2.069 10 30 DEEERN N#Cc1cc(F)ccc1CN1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408045126 405097489 /nfs/dbraw/zinc/09/74/89/405097489.db2.gz QBWANMHREFMMTM-KSZLIROESA-N 0 0 318.392 2.449 10 30 DEEERN C=CCC1(NS(=O)(=O)c2cnc3n2CCC3)CCCCC1 ZINC000451938143 405100047 /nfs/dbraw/zinc/10/00/47/405100047.db2.gz IFJYRVKDZIDDLI-UHFFFAOYSA-N 0 0 309.435 2.387 10 30 DEEERN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CCO1 ZINC000408074207 405105818 /nfs/dbraw/zinc/10/58/18/405105818.db2.gz OWSMFRYNRNPQJF-ONGXEEELSA-N 0 0 314.794 2.057 10 30 DEEERN C=CCCn1cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)nn1 ZINC000424558249 405115786 /nfs/dbraw/zinc/11/57/86/405115786.db2.gz IXMICFUHPGEDTD-JTQLQIEISA-N 0 0 302.300 2.269 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]1COc1cccnc1C ZINC000416357331 405120127 /nfs/dbraw/zinc/12/01/27/405120127.db2.gz DFMAYEFZTZPKQG-RHSMWYFYSA-N 0 0 304.390 2.087 10 30 DEEERN C=CCC1(C(=O)NCCC(=O)N2CCCCCC2)CCOCC1 ZINC000424629916 405132937 /nfs/dbraw/zinc/13/29/37/405132937.db2.gz PEALPLGMWZNJLL-UHFFFAOYSA-N 0 0 322.449 2.268 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000367759428 405145620 /nfs/dbraw/zinc/14/56/20/405145620.db2.gz GNLGKWLBCABQMI-IAGOWNOFSA-N 0 0 322.412 2.201 10 30 DEEERN C=CCCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000436850170 405151679 /nfs/dbraw/zinc/15/16/79/405151679.db2.gz ZBYRIOVKQMXKJZ-AWEZNQCLSA-N 0 0 302.374 2.031 10 30 DEEERN C=CCC1(C(=O)N[C@H](C)[C@H](O)Cc2ccccc2)CCOCC1 ZINC000424733029 405161826 /nfs/dbraw/zinc/16/18/26/405161826.db2.gz HXMCQAJLPCGTGM-NVXWUHKLSA-N 0 0 317.429 2.468 10 30 DEEERN CC[C@@H](NC(=O)Cc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000568461592 292341374 /nfs/dbraw/zinc/34/13/74/292341374.db2.gz HYEOTKRTUFUFLJ-CQSZACIVSA-N 0 0 302.374 2.337 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000452129278 405186919 /nfs/dbraw/zinc/18/69/19/405186919.db2.gz ZDDXRSSVNWNAOF-NSHDSACASA-N 0 0 315.295 2.079 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000437526204 405204172 /nfs/dbraw/zinc/20/41/72/405204172.db2.gz KNORBBHOPBIBMG-BXUZGUMPSA-N 0 0 305.334 2.009 10 30 DEEERN C=CCC1(C(=O)N2CCCc3c(cnn3C)C2)CCOCC1 ZINC000424893639 405207421 /nfs/dbraw/zinc/20/74/21/405207421.db2.gz MUTGUWFRJUEZHS-UHFFFAOYSA-N 0 0 303.406 2.068 10 30 DEEERN C=CCn1cc(CNC(=O)c2sc(CC3CC3)nc2C)nn1 ZINC000424906295 405209506 /nfs/dbraw/zinc/20/95/06/405209506.db2.gz FBFFUTPLFYFCNP-UHFFFAOYSA-N 0 0 317.418 2.112 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1sc(COCC)nc1C ZINC000424925860 405214002 /nfs/dbraw/zinc/21/40/02/405214002.db2.gz QXOXIJNKMNEOCD-RYUDHWBXSA-N 0 0 310.419 2.309 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@H](C)NC(=O)C1CCCCC1 ZINC000424935798 405215774 /nfs/dbraw/zinc/21/57/74/405215774.db2.gz ZFBDSVYPINJVGW-BPUTZDHNSA-N 0 0 322.449 2.169 10 30 DEEERN C=CCCn1cc(C(=O)N[C@@]2(CO)C[C@@H](C)CC(C)(C)C2)nn1 ZINC000424772448 405173616 /nfs/dbraw/zinc/17/36/16/405173616.db2.gz DVZAHHAPDFFNKH-GUYCJALGSA-N 0 0 320.437 2.161 10 30 DEEERN CC#CCCNC(=O)N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000361638539 405176121 /nfs/dbraw/zinc/17/61/21/405176121.db2.gz CHRFJECCQPJCCR-INIZCTEOSA-N 0 0 302.374 2.192 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(CCc2cc(C)c(O)c(C)c2)C1=O ZINC000419937232 405273503 /nfs/dbraw/zinc/27/35/03/405273503.db2.gz MWGXHJRLPHYPOT-AWEZNQCLSA-N 0 0 302.374 2.438 10 30 DEEERN C=CC(C)(C)c1nc(-c2ccnc(N3CCOCC3)c2)no1 ZINC000453092784 405283646 /nfs/dbraw/zinc/28/36/46/405283646.db2.gz VVIQELYJVRJVFR-UHFFFAOYSA-N 0 0 300.362 2.432 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000425665798 405311958 /nfs/dbraw/zinc/31/19/58/405311958.db2.gz WIDOLPGYJPJTSG-GWCFXTLKSA-N 0 0 321.333 2.316 10 30 DEEERN C=CC(C)(C)CNC(=O)NC(C)(C)c1nocc1C(=O)OC ZINC000425765511 405318748 /nfs/dbraw/zinc/31/87/48/405318748.db2.gz HLMFIERTTDXNAT-UHFFFAOYSA-N 0 0 309.366 2.208 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCOC)[C@H]1CC[C@@H](C)C1 ZINC000425857781 405324931 /nfs/dbraw/zinc/32/49/31/405324931.db2.gz PTFZUPJYIHBTCS-UGUYLWEFSA-N 0 0 310.438 2.424 10 30 DEEERN C=CCN(CC=C)C(=O)CN1c2ccccc2CC[C@@H]1CCO ZINC000425485763 405298225 /nfs/dbraw/zinc/29/82/25/405298225.db2.gz IXTXXXDJAVOGNM-QGZVFWFLSA-N 0 0 314.429 2.391 10 30 DEEERN C=C(C)CCNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000454179252 405306028 /nfs/dbraw/zinc/30/60/28/405306028.db2.gz JCNSIRQNCZQJGS-LBPRGKRZSA-N 0 0 310.419 2.417 10 30 DEEERN C=C(C)CCNC(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000455304055 405395450 /nfs/dbraw/zinc/39/54/50/405395450.db2.gz BNXYIPHIQKAOAY-HNNXBMFYSA-N 0 0 301.390 2.447 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCOc1ccc(Cl)c(F)c1 ZINC000455377776 405402999 /nfs/dbraw/zinc/40/29/99/405402999.db2.gz WHLFRQJSNBTVCD-SNVBAGLBSA-N 0 0 316.760 2.094 10 30 DEEERN C=CCC1(CNC(=O)NCCCN2CCCC2=O)CCCC1 ZINC000455479620 405415646 /nfs/dbraw/zinc/41/56/46/405415646.db2.gz OKXSGZDXZBPDRF-UHFFFAOYSA-N 0 0 307.438 2.435 10 30 DEEERN CC(=O)c1ccc(C#N)c(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000528221493 405535797 /nfs/dbraw/zinc/53/57/97/405535797.db2.gz PPSMLNZVLSTAOP-WIEQDCTASA-N 0 0 302.399 2.251 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000633410472 405627917 /nfs/dbraw/zinc/62/79/17/405627917.db2.gz NNZQKYFIRXXCIH-HNNXBMFYSA-N 0 0 309.454 2.095 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000633317680 405568744 /nfs/dbraw/zinc/56/87/44/405568744.db2.gz JYCRPKLMWLJTKD-VGWMRTNUSA-N 0 0 308.422 2.224 10 30 DEEERN C=CCCCCCNC(=O)NC[C@H](n1cncn1)C(F)(F)F ZINC000633339854 405579635 /nfs/dbraw/zinc/57/96/35/405579635.db2.gz ZCGJPDBGYZHCLM-NSHDSACASA-N 0 0 319.331 2.427 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)NCCNC(=O)c1ccccc1 ZINC000494207979 405662430 /nfs/dbraw/zinc/66/24/30/405662430.db2.gz HXVUHNHYZKVEPA-HNNXBMFYSA-N 0 0 301.390 2.167 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)n1ccc(C(F)(F)F)n1 ZINC000633487463 405672335 /nfs/dbraw/zinc/67/23/35/405672335.db2.gz XEZTWTWCEOAJCG-VWYCJHECSA-N 0 0 317.311 2.170 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000633423053 405637402 /nfs/dbraw/zinc/63/74/02/405637402.db2.gz RMFACMDAYOVRNE-UHFFFAOYSA-N 0 0 309.454 2.489 10 30 DEEERN C=CCn1c(-c2ncccc2C)nnc1N(C)C[C@H]1CCCO1 ZINC000558675470 405687047 /nfs/dbraw/zinc/68/70/47/405687047.db2.gz HXJQWQPLUGOHBU-CQSZACIVSA-N 0 0 313.405 2.450 10 30 DEEERN C[C@H]1CN(C(=O)c2ccc(C#N)n2C)[C@H](c2ccccc2)CO1 ZINC000450050129 405724096 /nfs/dbraw/zinc/72/40/96/405724096.db2.gz RRTFTRWGTZHFOM-GUYCJALGSA-N 0 0 309.369 2.499 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000450095116 405737168 /nfs/dbraw/zinc/73/71/68/405737168.db2.gz ZWUSDVALSUXQDP-ZOWXZIJZSA-N 0 0 322.355 2.251 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000494655788 405738827 /nfs/dbraw/zinc/73/88/27/405738827.db2.gz RUJFFYDKLRDZPE-LSDHHAIUSA-N 0 0 315.421 2.196 10 30 DEEERN CC(C)C[C@@H](NC(=O)c1ccc(C#N)n1C)C(=O)OC(C)(C)C ZINC000450113454 405744470 /nfs/dbraw/zinc/74/44/70/405744470.db2.gz OYDBRIBAXDXBLN-CYBMUJFWSA-N 0 0 319.405 2.383 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000583931682 405789574 /nfs/dbraw/zinc/78/95/74/405789574.db2.gz ZONVXKQYLXYIOZ-KBPBESRZSA-N 0 0 318.373 2.148 10 30 DEEERN Cn1c(CNC(=O)Cc2cccc(C#N)c2)nc2ccccc21 ZINC000530913781 405879191 /nfs/dbraw/zinc/87/91/91/405879191.db2.gz QUHCEEQCZLZPRM-UHFFFAOYSA-N 0 0 304.353 2.304 10 30 DEEERN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](n2cccn2)C1 ZINC000457532681 405887127 /nfs/dbraw/zinc/88/71/27/405887127.db2.gz PCYJBYJZQODPJW-JYJNAYRXSA-N 0 0 303.406 2.418 10 30 DEEERN C=C(C)Cn1c(N2CC[C@@H](COC)C2)nnc1[C@]1(C)CCCO1 ZINC000584214271 405848555 /nfs/dbraw/zinc/84/85/55/405848555.db2.gz PULGFUYBEXLWHZ-PBHICJAKSA-N 0 0 320.437 2.353 10 30 DEEERN C=C[C@](C)(CC)C(=O)N1CCN(c2cncc(OC)c2)CC1 ZINC000636276805 405858551 /nfs/dbraw/zinc/85/85/51/405858551.db2.gz ZUCANYQZEJGPSZ-QGZVFWFLSA-N 0 0 303.406 2.341 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000633966477 405933815 /nfs/dbraw/zinc/93/38/15/405933815.db2.gz MSFIWJIGVSQEIL-CYBMUJFWSA-N 0 0 301.452 2.310 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1ccnc(N2CCOCC2)n1 ZINC000633966710 405935505 /nfs/dbraw/zinc/93/55/05/405935505.db2.gz BORPEBGEPUJOLF-UHFFFAOYSA-N 0 0 318.421 2.035 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccn(C3CCCC3)n2)C1=O ZINC000630979566 405950363 /nfs/dbraw/zinc/95/03/63/405950363.db2.gz QTDUHJIRIVHDSY-CQSZACIVSA-N 0 0 302.378 2.385 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCCc1nc(C)cs1 ZINC000636567291 406012644 /nfs/dbraw/zinc/01/26/44/406012644.db2.gz BAIXSMWZUDBMSV-UHFFFAOYSA-N 0 0 323.462 2.219 10 30 DEEERN CCCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(C#N)n1C ZINC000450592798 405969940 /nfs/dbraw/zinc/96/99/40/405969940.db2.gz PMAHFNTWFPYSPN-UHFFFAOYSA-N 0 0 305.378 2.091 10 30 DEEERN C=CCc1cc(CN2CC(OCCCOC)C2)cc(OC)c1O ZINC000459590141 405971793 /nfs/dbraw/zinc/97/17/93/405971793.db2.gz JGUKBYXNPFHFRT-UHFFFAOYSA-N 0 0 321.417 2.367 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2cc3c([nH]c2=O)CCC3)C1 ZINC000636782241 406080570 /nfs/dbraw/zinc/08/05/70/406080570.db2.gz ZBBRUSUJRBNPBP-LBPRGKRZSA-N 0 0 301.390 2.384 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1cc2c(cc(OC)cc2OC)[nH]1 ZINC000632295400 406082675 /nfs/dbraw/zinc/08/26/75/406082675.db2.gz KKPPIPDVIYUZLF-LLVKDONJSA-N 0 0 318.373 2.100 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1scnc1C ZINC000636664743 406047591 /nfs/dbraw/zinc/04/75/91/406047591.db2.gz JLOGUUZPVMPFPI-UHFFFAOYSA-N 0 0 309.435 2.176 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC000562802489 406055604 /nfs/dbraw/zinc/05/56/04/406055604.db2.gz REHDHILMKYQSQF-YJNKXOJESA-N 0 0 320.437 2.423 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000514872451 406056070 /nfs/dbraw/zinc/05/60/70/406056070.db2.gz HKUADDCKDALYHM-HUUCEWRRSA-N 0 0 310.438 2.170 10 30 DEEERN CC(C)(C)OC(=O)C[C@H]1CCCN(c2nccnc2C#N)C1 ZINC000532365205 406071632 /nfs/dbraw/zinc/07/16/32/406071632.db2.gz LFCVUINICLZNNI-GFCCVEGCSA-N 0 0 302.378 2.296 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000460054696 406075968 /nfs/dbraw/zinc/07/59/68/406075968.db2.gz DPBPQNGOUMXZAJ-GDBMZVCRSA-N 0 0 316.401 2.010 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)[C@@]1(COC)CCOC1 ZINC000460072876 406078371 /nfs/dbraw/zinc/07/83/71/406078371.db2.gz XTJHECRTAGKFTG-GOSISDBHSA-N 0 0 303.402 2.297 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000637042800 406160059 /nfs/dbraw/zinc/16/00/59/406160059.db2.gz RCBZJPUDUYMEOJ-CABCVRRESA-N 0 0 322.449 2.169 10 30 DEEERN N#Cc1cccc(C=C(O)Nc2nc(-c3cccnc3)ns2)c1 ZINC000533723232 406160576 /nfs/dbraw/zinc/16/05/76/406160576.db2.gz GBJAKNISNLFYJQ-UHFFFAOYSA-N 0 0 321.365 2.075 10 30 DEEERN CC#CCCNC(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000637058987 406164776 /nfs/dbraw/zinc/16/47/76/406164776.db2.gz VKKHVDHKTOJTPB-ZDUSSCGKSA-N 0 0 314.307 2.451 10 30 DEEERN C=CCn1c(C(=O)NC(C)C)nnc1N1CCC(CCF)CC1 ZINC000634341619 406107197 /nfs/dbraw/zinc/10/71/97/406107197.db2.gz FZDCJSYKDWZTNL-UHFFFAOYSA-N 0 0 323.416 2.178 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCC(C)(C)[C@@H]1CCCCO1 ZINC000636875718 406109391 /nfs/dbraw/zinc/10/93/91/406109391.db2.gz GDECLNUIASIUPD-AWEZNQCLSA-N 0 0 324.465 2.416 10 30 DEEERN CO[C@@H]1CC[C@H](NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C1 ZINC000471703099 406110251 /nfs/dbraw/zinc/11/02/51/406110251.db2.gz RXVKWNCJXBXVLX-GOEBONIOSA-N 0 0 324.384 2.350 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCCn2c(=O)[nH]c3ccccc32)C1 ZINC000636898676 406116989 /nfs/dbraw/zinc/11/69/89/406116989.db2.gz VYAQSVNFGKNSQC-CYBMUJFWSA-N 0 0 314.389 2.350 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000567695042 406120609 /nfs/dbraw/zinc/12/06/09/406120609.db2.gz UNLUPUPNYCDGMG-QEJZJMRPSA-N 0 0 300.358 2.033 10 30 DEEERN N#Cc1cccc(CC(=O)NC[C@@H](CO)CC2CCCC2)c1 ZINC000533212254 406129981 /nfs/dbraw/zinc/12/99/81/406129981.db2.gz RKZABTHPUQNBKB-KRWDZBQOSA-N 0 0 300.402 2.406 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCC(C)(C)c1cccnc1 ZINC000636970821 406137027 /nfs/dbraw/zinc/13/70/27/406137027.db2.gz YWQBFYWYPWWMLI-UHFFFAOYSA-N 0 0 317.433 2.194 10 30 DEEERN C=CCOCCNC(=O)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000637032652 406155643 /nfs/dbraw/zinc/15/56/43/406155643.db2.gz PDWPQEYCTCUSFN-QLFBSQMISA-N 0 0 306.793 2.480 10 30 DEEERN C=C1CC(C)(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)C1 ZINC000632481315 406156106 /nfs/dbraw/zinc/15/61/06/406156106.db2.gz OFRYGBDKROJBHJ-UHFFFAOYSA-N 0 0 319.380 2.030 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H](CC(=O)NC)c2ccccc2)C1 ZINC000637115985 406180264 /nfs/dbraw/zinc/18/02/64/406180264.db2.gz WEWLIKBQJZPLGM-GDBMZVCRSA-N 0 0 315.417 2.471 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)CCc1nccs1 ZINC000632601598 406195992 /nfs/dbraw/zinc/19/59/92/406195992.db2.gz JMOUIAMFZPDVDR-UHFFFAOYSA-N 0 0 323.462 2.253 10 30 DEEERN C=CC(C)(C)CNC(=O)NC[C@H]1c2ccccc2C(=O)N1C ZINC000637190879 406205767 /nfs/dbraw/zinc/20/57/67/406205767.db2.gz MDLDQEVTEFUSMM-AWEZNQCLSA-N 0 0 301.390 2.325 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000637195008 406207535 /nfs/dbraw/zinc/20/75/35/406207535.db2.gz OKUYMFDSYBJDRC-SFHVURJKSA-N 0 0 322.449 2.123 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000632661488 406218867 /nfs/dbraw/zinc/21/88/67/406218867.db2.gz CJGIMPDJOYIATP-AWEZNQCLSA-N 0 0 322.449 2.265 10 30 DEEERN C=CCCCCNC(=O)C(=O)NCC1([C@@H]2CCCCO2)CCC1 ZINC000637239267 406224634 /nfs/dbraw/zinc/22/46/34/406224634.db2.gz CNBUYGNPZJQLJZ-HNNXBMFYSA-N 0 0 322.449 2.315 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccnc(SC)c1 ZINC000519761667 406248782 /nfs/dbraw/zinc/24/87/82/406248782.db2.gz DQCUEAQYXYRURI-STQMWFEESA-N 0 0 307.419 2.194 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000637321109 406257891 /nfs/dbraw/zinc/25/78/91/406257891.db2.gz FCJXZONIJVOUQF-AWEZNQCLSA-N 0 0 305.426 2.302 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC[C@H](S(C)(=O)=O)CC1 ZINC000637323395 406258826 /nfs/dbraw/zinc/25/88/26/406258826.db2.gz JMNXLJMVTPZTIM-ZDUSSCGKSA-N 0 0 316.467 2.197 10 30 DEEERN C=CC(C)(C)CCNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000637324691 406258927 /nfs/dbraw/zinc/25/89/27/406258927.db2.gz XWIKRQFCBHZBDH-LSDHHAIUSA-N 0 0 324.465 2.456 10 30 DEEERN N#Cc1cccc(CC(=O)N[C@H](CO)c2c(F)cccc2F)c1 ZINC000536220659 406253805 /nfs/dbraw/zinc/25/38/05/406253805.db2.gz LXGGNMGVICPVDU-OAHLLOKOSA-N 0 0 316.307 2.229 10 30 DEEERN C=C1CCN(C(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)CC1 ZINC000520822843 406318571 /nfs/dbraw/zinc/31/85/71/406318571.db2.gz LLPLIAJWAVCBEH-QGZVFWFLSA-N 0 0 316.401 2.441 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC[C@@H]1CC ZINC000521197999 406335173 /nfs/dbraw/zinc/33/51/73/406335173.db2.gz OKQVVNLVIUPXEE-UONOGXRCSA-N 0 0 306.410 2.321 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000521555846 406353979 /nfs/dbraw/zinc/35/39/79/406353979.db2.gz ACQXOZVWUDKBSV-YPMHNXCESA-N 0 0 300.362 2.014 10 30 DEEERN CC1(C#N)CCN(C(=O)C(=O)Nc2cncc3ccccc32)CC1 ZINC000540945192 406297082 /nfs/dbraw/zinc/29/70/82/406297082.db2.gz HDZYFCVVZRECJC-UHFFFAOYSA-N 0 0 322.368 2.326 10 30 DEEERN Cc1csc(NC2CCN(c3cc(C#N)ncn3)CC2)n1 ZINC000569772197 406299637 /nfs/dbraw/zinc/29/96/37/406299637.db2.gz PDFGGROBFNVIRC-UHFFFAOYSA-N 0 0 300.391 2.194 10 30 DEEERN C=CCCCS(=O)(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000489722654 406427519 /nfs/dbraw/zinc/42/75/19/406427519.db2.gz RBLKEPCQYMKLQS-HNNXBMFYSA-N 0 0 311.403 2.062 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NC[C@@H](C)CN1CCOCC1 ZINC000633086873 406376962 /nfs/dbraw/zinc/37/69/62/406376962.db2.gz AXRSJBUMZCKPMS-OAHLLOKOSA-N 0 0 311.470 2.246 10 30 DEEERN C[C@H](C(=O)NCc1ccc(C2CCC2)cc1)n1cnc(C#N)n1 ZINC000524092242 406439396 /nfs/dbraw/zinc/43/93/96/406439396.db2.gz JTSZNJYPBNYHKX-GFCCVEGCSA-N 0 0 309.373 2.295 10 30 DEEERN CC(=O)N1CCc2c1cccc2NC(=O)c1ccnc(C#N)c1 ZINC000526017753 406534778 /nfs/dbraw/zinc/53/47/78/406534778.db2.gz PIXDXHJWXLJXJH-UHFFFAOYSA-N 0 0 306.325 2.115 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)[C@H](O)C(C)(C)CC)cc1 ZINC000635392651 406516698 /nfs/dbraw/zinc/51/66/98/406516698.db2.gz ODNDSKYQNJSMDM-AWEZNQCLSA-N 0 0 304.390 2.338 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000571855813 406574350 /nfs/dbraw/zinc/57/43/50/406574350.db2.gz PYOWAPROQCRAPL-ZNMIVQPWSA-N 0 0 320.364 2.464 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cc(C)c2nccn2c1 ZINC000571896395 406581840 /nfs/dbraw/zinc/58/18/40/406581840.db2.gz YXBMIFANLFNYCP-UHFFFAOYSA-N 0 0 314.389 2.444 10 30 DEEERN C=C[C@@H](O)C(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000527627921 406696348 /nfs/dbraw/zinc/69/63/48/406696348.db2.gz IQPLDVFYULBQMB-LLVKDONJSA-N 0 0 314.154 2.020 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cc(C)cc(OC)c1 ZINC000572633922 406708856 /nfs/dbraw/zinc/70/88/56/406708856.db2.gz RXUIQNQJHOUKBE-HOCLYGCPSA-N 0 0 304.390 2.394 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000573713705 406777165 /nfs/dbraw/zinc/77/71/65/406777165.db2.gz BHHODIUMEZJDRZ-JONQDZQNSA-N 0 0 320.433 2.321 10 30 DEEERN C=CCn1c(N2CCC[C@H](COC)C2)nnc1[C@]1(C)CCCO1 ZINC000575089102 406789144 /nfs/dbraw/zinc/78/91/44/406789144.db2.gz JPSVXKHKSOVAEO-YOEHRIQHSA-N 0 0 320.437 2.353 10 30 DEEERN CCOC(=O)Cc1cc([N+](=O)[O-])c(C#N)cc1OC(F)(F)F ZINC000575395350 406808874 /nfs/dbraw/zinc/80/88/74/406808874.db2.gz ABYQQMJWBPOAFV-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN CCOC(=O)Cc1c(OC(F)(F)F)ccc(C#N)c1C=O ZINC000575391352 406808923 /nfs/dbraw/zinc/80/89/23/406808923.db2.gz VBBBZPXBVSFWQE-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN COC(=O)Cc1cc([N+](=O)[O-])c(OC(F)(F)F)cc1C#N ZINC000575395459 406809005 /nfs/dbraw/zinc/80/90/05/406809005.db2.gz DBQFQGRKDMJYOY-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN COC(=O)Cc1cc(C#N)cc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575395949 406810103 /nfs/dbraw/zinc/81/01/03/406810103.db2.gz XMWGZVGCEPNVIZ-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN C=CCCCCCNC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000575932351 406827306 /nfs/dbraw/zinc/82/73/06/406827306.db2.gz IVVFOBZAGLSCFZ-SOUVJXGZSA-N 0 0 320.433 2.413 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC000576825517 406833631 /nfs/dbraw/zinc/83/36/31/406833631.db2.gz LUHVNVYAYNTGIN-XEZPLFJOSA-N 0 0 303.406 2.176 10 30 DEEERN COC[C@H](NC(=O)c1ccc(C#CCO)c(Cl)c1)C(C)C ZINC000128944982 196005924 /nfs/dbraw/zinc/00/59/24/196005924.db2.gz DRXNECWYKQIEPJ-HNNXBMFYSA-N 0 0 309.793 2.085 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCC[C@@H](C)C1 ZINC000129297756 196036947 /nfs/dbraw/zinc/03/69/47/196036947.db2.gz RWCIQUYWDAEDNV-CYBMUJFWSA-N 0 0 323.400 2.384 10 30 DEEERN CC(=O)c1ccc(C#N)cc1Sc1n[nH]c(=O)n1C1CC1 ZINC000131395466 196165248 /nfs/dbraw/zinc/16/52/48/196165248.db2.gz OENVWAGMNRNPQY-UHFFFAOYSA-N 0 0 300.343 2.132 10 30 DEEERN CC(C)C[C@@H](NC(=O)c1cc(C#N)cn1C)C(=O)OC(C)(C)C ZINC000131773311 196197973 /nfs/dbraw/zinc/19/79/73/196197973.db2.gz WZUWWZNUKPIQAG-CYBMUJFWSA-N 0 0 319.405 2.383 10 30 DEEERN C=CCN(c1ncncc1I)C1CC1 ZINC000131919811 196209979 /nfs/dbraw/zinc/20/99/79/196209979.db2.gz URVCBRKUDDQXLU-UHFFFAOYSA-N 0 0 301.131 2.236 10 30 DEEERN N#C[C@@H](NC(=O)[C@@H]1COc2ccc(Br)cc21)C1CC1 ZINC000132560704 196265078 /nfs/dbraw/zinc/26/50/78/196265078.db2.gz OVPLOZRFCXALCX-VXGBXAGGSA-N 0 0 321.174 2.343 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCS[C@H]2COCC[C@H]21 ZINC000133506071 196330036 /nfs/dbraw/zinc/33/00/36/196330036.db2.gz IRRAUMJROJGKKI-CABCVRRESA-N 0 0 302.399 2.213 10 30 DEEERN CCSC[C@H](C)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000135345911 196466730 /nfs/dbraw/zinc/46/67/30/196466730.db2.gz RWOMVCXGEFSBAJ-VIFPVBQESA-N 0 0 302.396 2.117 10 30 DEEERN C#CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000135431235 196474146 /nfs/dbraw/zinc/47/41/46/196474146.db2.gz OKKZZIMBKDXZNF-MRVPVSSYSA-N 0 0 311.135 2.499 10 30 DEEERN CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000150792896 196586357 /nfs/dbraw/zinc/58/63/57/196586357.db2.gz DSSQJUZADASSHX-HNNXBMFYSA-N 0 0 310.357 2.015 10 30 DEEERN CCn1cc([N+](=O)[O-])c(C(=O)N(CCC#N)C(C)(C)CC)n1 ZINC000191716078 225116014 /nfs/dbraw/zinc/11/60/14/225116014.db2.gz JKTGDKSPQZPXFV-UHFFFAOYSA-N 0 0 307.354 2.356 10 30 DEEERN O[C@@H](C[C@H]1COCCN1CC#Cc1ccccc1)c1ccco1 ZINC000192074052 225124289 /nfs/dbraw/zinc/12/42/89/225124289.db2.gz HJSSXOWDNSNHSL-ROUUACIJSA-N 0 0 311.381 2.456 10 30 DEEERN N#CCOc1ccccc1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247248498 225230983 /nfs/dbraw/zinc/23/09/83/225230983.db2.gz GBAQYZPBAMSTPF-CFVMTHIKSA-N 0 0 300.358 2.276 10 30 DEEERN C[C@@H](CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)N1CCCCC1=O ZINC000248987953 225242678 /nfs/dbraw/zinc/24/26/78/225242678.db2.gz VXRNHFYFVMMZLZ-KEYYUXOJSA-N 0 0 305.422 2.366 10 30 DEEERN Cc1cc(=O)n(C)cc1NC(=O)C[C@H](C)N1CCCCC1=O ZINC000328763181 225795329 /nfs/dbraw/zinc/79/53/29/225795329.db2.gz ZVLFRLPAIQCJRZ-LBPRGKRZSA-N 0 0 305.378 2.073 10 30 DEEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCC1(CCO)CCC1 ZINC000328979900 225821606 /nfs/dbraw/zinc/82/16/06/225821606.db2.gz RFIJREVYKIAYHX-CHWSQXEVSA-N 0 0 307.394 2.007 10 30 DEEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cn1 ZINC000329910139 225944831 /nfs/dbraw/zinc/94/48/31/225944831.db2.gz VOYCPYDBPLRPQG-ARKGTOAJSA-N 0 0 319.405 2.412 10 30 DEEERN COc1cccc(CC(=O)N[C@@H]2CCCc3c2cnn3C)n1 ZINC000330310949 225992369 /nfs/dbraw/zinc/99/23/69/225992369.db2.gz VJYCTSZJRDXYSE-CYBMUJFWSA-N 0 0 300.362 2.400 10 30 DEEERN N#CC[C@@H]1CC[C@H](NC(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)C1 ZINC000333197455 226103027 /nfs/dbraw/zinc/10/30/27/226103027.db2.gz PXHASIZDXRESTB-MKVSYHDVSA-N 0 0 303.406 2.422 10 30 DEEERN N#CCc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000366988715 226978451 /nfs/dbraw/zinc/97/84/51/226978451.db2.gz TZEPGGZETRQZFV-QGZVFWFLSA-N 0 0 319.364 2.288 10 30 DEEERN Cn1cc(CN2CCN(C3CC3)[C@H](C#N)C2)c(-c2ccccc2)n1 ZINC000370053978 227043555 /nfs/dbraw/zinc/04/35/55/227043555.db2.gz SMBNNEQZOHRRBO-GOSISDBHSA-N 0 0 321.428 2.259 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2ccc(-n3cccc3)cc2)CCN1C1CC1 ZINC000370971348 227060002 /nfs/dbraw/zinc/06/00/02/227060002.db2.gz CPNYJPLOAKOHOC-GOSISDBHSA-N 0 0 320.396 2.290 10 30 DEEERN N#C[C@H]1CN(C(=O)Cc2ccc(Cl)cc2)CCN1C1CC1 ZINC000370972511 227062434 /nfs/dbraw/zinc/06/24/34/227062434.db2.gz KHNAINLXJGPLIN-HNNXBMFYSA-N 0 0 303.793 2.081 10 30 DEEERN N#Cc1nccnc1N1CCC[C@@H](Oc2ccc(Cl)cn2)C1 ZINC000301795444 229899829 /nfs/dbraw/zinc/89/98/29/229899829.db2.gz TWSSKRPKEGGPPD-GFCCVEGCSA-N 0 0 315.764 2.444 10 30 DEEERN C=CC(C)(C)CCNc1noc2ccc(S(N)(=O)=O)cc21 ZINC000528075299 421469946 /nfs/dbraw/zinc/46/99/46/421469946.db2.gz RBCGBSYMFTUGKP-UHFFFAOYSA-N 0 0 309.391 2.489 10 30 DEEERN C=C(C)C[C@@H](Nc1nc(OC)cc(C(F)(F)F)n1)C(=O)OC ZINC000601228004 422422975 /nfs/dbraw/zinc/42/29/75/422422975.db2.gz WAWMNLZAGHOVKW-MRVPVSSYSA-N 0 0 319.283 2.424 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(CCC(C)C)[nH]n1 ZINC000616821491 422518569 /nfs/dbraw/zinc/51/85/69/422518569.db2.gz HERZXKIDRFNILI-CQSZACIVSA-N 0 0 306.410 2.408 10 30 DEEERN N#Cc1ccc(CNC(=O)Nc2nnc3ccccn32)c(F)c1 ZINC000609810783 422465143 /nfs/dbraw/zinc/46/51/43/422465143.db2.gz CMKKOCWYZMXXFG-UHFFFAOYSA-N 0 0 310.292 2.062 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1n[nH]c(C)c1Br ZINC000616002141 422500902 /nfs/dbraw/zinc/50/09/02/422500902.db2.gz HZFLUXACGAGAQQ-SFYZADRCSA-N 0 0 300.156 2.010 10 30 DEEERN N#Cc1cccc(CC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000533992747 269997182 /nfs/dbraw/zinc/99/71/82/269997182.db2.gz QUEQJICQDIKOEY-UHFFFAOYSA-N 0 0 309.325 2.368 10 30 DEEERN Cc1nccn1-c1ccc(CNc2nc(C)cc(C#N)n2)cc1F ZINC000370462885 424878302 /nfs/dbraw/zinc/87/83/02/424878302.db2.gz TWWRFJIWJGTLNB-UHFFFAOYSA-N 0 0 322.347 2.902 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNc1nnc(C2CCOCC2)s1 ZINC000555200070 424880224 /nfs/dbraw/zinc/88/02/24/424880224.db2.gz PWIUYLGDVBPEHD-CHWSQXEVSA-N 0 0 309.435 2.825 10 30 DEEERN C#CCSCCNC(=O)NCc1ccc(OCC)c(F)c1 ZINC000154185414 424861234 /nfs/dbraw/zinc/86/12/34/424861234.db2.gz PZZWZZOKKHTQDK-UHFFFAOYSA-N 0 0 310.394 2.390 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1 ZINC000567893475 424916629 /nfs/dbraw/zinc/91/66/29/424916629.db2.gz HDFAHGIWFBMJSX-QEJZJMRPSA-N 0 0 318.421 2.875 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(-c2ccccc2)nn1 ZINC000571316725 424930997 /nfs/dbraw/zinc/93/09/97/424930997.db2.gz IOHJSSRGGOKCFP-HOCLYGCPSA-N 0 0 324.384 2.856 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCC[C@H](COC)CC2)s1 ZINC000412413741 424938476 /nfs/dbraw/zinc/93/84/76/424938476.db2.gz UFRQOUQGLINPLF-LBPRGKRZSA-N 0 0 309.435 2.630 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1ccc(C(=O)Nc2ccccc2)nn1 ZINC000573836260 424940949 /nfs/dbraw/zinc/94/09/49/424940949.db2.gz WYBSWHJTMRUDAW-BBRMVZONSA-N 0 0 324.384 2.732 10 30 DEEERN C=CCNc1nnc(SCc2cnc3ccccn23)s1 ZINC000346617482 425005422 /nfs/dbraw/zinc/00/54/22/425005422.db2.gz DPGKYDZGHXERQD-UHFFFAOYSA-N 0 0 303.416 3.076 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C)n([C@@H](C)CC)n1 ZINC000579585058 424963977 /nfs/dbraw/zinc/96/39/77/424963977.db2.gz BCVJYJGWYSZBGX-UBHSHLNASA-N 0 0 306.410 2.875 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1 ZINC000582888765 424981990 /nfs/dbraw/zinc/98/19/90/424981990.db2.gz IKIVZMFINQZFEC-YUTCNCBUSA-N 0 0 304.394 2.628 10 30 DEEERN C=CCCSCCNc1ccc(C(=O)NC2CCCC2)nn1 ZINC000596413051 425024597 /nfs/dbraw/zinc/02/45/97/425024597.db2.gz BVBMVSNOIQEZJV-UHFFFAOYSA-N 0 0 320.462 2.870 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)Nc1ccn(C(C)(C)C(=O)OC)n1 ZINC000597068837 425031074 /nfs/dbraw/zinc/03/10/74/425031074.db2.gz COPFVTZJUWKENJ-GFCCVEGCSA-N 0 0 322.409 2.658 10 30 DEEERN C=CCn1c(Nc2ccn(C)n2)nnc1[C@@H]1Cc2ccccc2O1 ZINC000350741240 425032103 /nfs/dbraw/zinc/03/21/03/425032103.db2.gz MDLSBWPPSYICFI-AWEZNQCLSA-N 0 0 322.372 2.617 10 30 DEEERN C=CCOc1ccc(CNc2nnc(-c3cnn(C)c3)o2)cc1 ZINC000351494357 425038639 /nfs/dbraw/zinc/03/86/39/425038639.db2.gz QVNINVQOVDFCCB-UHFFFAOYSA-N 0 0 311.345 2.647 10 30 DEEERN CN(Cc1ccc2c(c1)OCO2)C(=O)Cc1cccc(C#N)c1 ZINC000530910262 267317027 /nfs/dbraw/zinc/31/70/27/267317027.db2.gz WTDCMQYXAHRIQH-UHFFFAOYSA-N 0 0 308.337 2.488 10 30 DEEERN COc1cccc(CNC(=O)NCc2cc(C#N)ccc2F)n1 ZINC000174469998 267498732 /nfs/dbraw/zinc/49/87/32/267498732.db2.gz WACJYRIUYFBYNA-UHFFFAOYSA-N 0 0 314.320 2.100 10 30 DEEERN Cc1nc(-c2cccc(C#N)c2)nn1C[C@@H](O)CC(F)(F)F ZINC000189398943 267694556 /nfs/dbraw/zinc/69/45/56/267694556.db2.gz LCKZCCSIKHYGLL-LBPRGKRZSA-N 0 0 310.279 2.439 10 30 DEEERN Cc1ccn2cc(CNC(=O)Cc3cccc(C#N)c3)nc2c1 ZINC000530907623 268062784 /nfs/dbraw/zinc/06/27/84/268062784.db2.gz FORKICWGAIOAFW-UHFFFAOYSA-N 0 0 304.353 2.373 10 30 DEEERN C[C@@H]1CC[C@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)[C@H](C)C1 ZINC000369287474 287774628 /nfs/dbraw/zinc/77/46/28/287774628.db2.gz HUODBARDVPVCCN-XOUADPBQSA-N 0 0 304.438 2.193 10 30 DEEERN Cc1nnc(N2CC[C@H](n3cnc4c3CCCC4)C2)c(C#N)c1C ZINC000299742093 274870635 /nfs/dbraw/zinc/87/06/35/274870635.db2.gz GUWGYCFWDGAZJQ-AWEZNQCLSA-N 0 0 322.416 2.492 10 30 DEEERN CC(C)(C)[C@@H]1C[C@@H](NC(=O)N2CCc3cncnc3C2)CCO1 ZINC000328909493 277241356 /nfs/dbraw/zinc/24/13/56/277241356.db2.gz DTAYEQXKCDXJSR-ZFWWWQNUSA-N 0 0 318.421 2.342 10 30 DEEERN CC(C)[C@@H](C#N)NC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 ZINC000362057755 277712389 /nfs/dbraw/zinc/71/23/89/277712389.db2.gz OTBHAHWVIIJADW-CRAIPNDOSA-N 0 0 313.401 2.346 10 30 DEEERN C=C(Cl)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000364252201 277811567 /nfs/dbraw/zinc/81/15/67/277811567.db2.gz UXVKLZFANPQBPD-ZFWWWQNUSA-N 0 0 322.792 2.083 10 30 DEEERN C=CCCC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000290354013 277826520 /nfs/dbraw/zinc/82/65/20/277826520.db2.gz GEHNIHNBYFKWMP-NHCYSSNCSA-N 0 0 306.328 2.257 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000189046900 277918992 /nfs/dbraw/zinc/91/89/92/277918992.db2.gz NXWJTORNROZDAK-SJKOYZFVSA-N 0 0 307.438 2.313 10 30 DEEERN C[C@@H](CC(=O)Nc1c2c(nn1C)CCC2)N1CCCCC1=O ZINC000328756342 278224563 /nfs/dbraw/zinc/22/45/63/278224563.db2.gz UCEMYVGCVNJMIM-NSHDSACASA-N 0 0 304.394 2.288 10 30 DEEERN Cc1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c2ccccc2n1 ZINC000370995655 278635510 /nfs/dbraw/zinc/63/55/10/278635510.db2.gz AXQJWFLBZWCCCM-HNNXBMFYSA-N 0 0 320.396 2.356 10 30 DEEERN CC(C)C(=O)N1CCCC[C@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000356968005 278675215 /nfs/dbraw/zinc/67/52/15/278675215.db2.gz GDMVUKBCOMRPBP-AWEZNQCLSA-N 0 0 305.422 2.176 10 30 DEEERN CC[C@@H](CC#N)NC(=O)c1cc(C)n(-c2nc(C)cc(C)n2)n1 ZINC000358058985 280135002 /nfs/dbraw/zinc/13/50/02/280135002.db2.gz CWQLQMNAXMHLCO-ZDUSSCGKSA-N 0 0 312.377 2.010 10 30 DEEERN Cc1cc(C(=O)Nc2cc(C#N)ccn2)nc(C(F)(F)F)n1 ZINC000436007704 280366141 /nfs/dbraw/zinc/36/61/41/280366141.db2.gz ZGEMEMZITAKSKW-UHFFFAOYSA-N 0 0 307.235 2.323 10 30 DEEERN N#Cc1ccc(OCCNC(=O)NCCCOCC2CC2)cc1 ZINC000073538715 281542642 /nfs/dbraw/zinc/54/26/42/281542642.db2.gz NCWGOLCDXDYGGA-UHFFFAOYSA-N 0 0 317.389 2.053 10 30 DEEERN Cc1cnn(-c2ccncc2NC(=O)c2cc(C#N)cn2C)c1 ZINC000123895554 281678254 /nfs/dbraw/zinc/67/82/54/281678254.db2.gz MVYCQSUEWWPGEW-UHFFFAOYSA-N 0 0 306.329 2.038 10 30 DEEERN O=C(N[C@@H]1CCc2c1cccc2O)N1CC2(C1)CCCOC2 ZINC000329551707 295383643 /nfs/dbraw/zinc/38/36/43/295383643.db2.gz PLFSRRNAAREVCH-CQSZACIVSA-N 0 0 302.374 2.406 10 30 DEEERN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)N1CCC2(CCOCC2)CC1 ZINC000328869436 295386198 /nfs/dbraw/zinc/38/61/98/295386198.db2.gz HOWBUUQXWZAMSW-KFWWJZLASA-N 0 0 308.422 2.361 10 30 DEEERN C[C@H](NC(=O)[C@@H]1COCCN1CC(F)(F)F)[C@H]1CCCCO1 ZINC000329390249 297947532 /nfs/dbraw/zinc/94/75/32/297947532.db2.gz SEZRSDURACTDMS-SDDRHHMPSA-N 0 0 324.343 2.164 10 30 DEEERN Cc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1F ZINC000363407512 331899112 /nfs/dbraw/zinc/89/91/12/331899112.db2.gz YZYRLOZVFKJOKE-AWEZNQCLSA-N 0 0 302.353 2.338 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000580316356 333106345 /nfs/dbraw/zinc/10/63/45/333106345.db2.gz YDWTWGXRVQQBTK-ZBEGNZNMSA-N 0 0 300.358 2.497 10 30 DEEERN C=CCN(CCOC)C(=O)NC[C@@H]1CSc2ccccc2O1 ZINC000563050497 333192529 /nfs/dbraw/zinc/19/25/29/333192529.db2.gz WMSOZUCRSUYQAK-CYBMUJFWSA-N 0 0 322.430 2.384 10 30 DEEERN N#CCCCS(=O)(=O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000111326288 333329215 /nfs/dbraw/zinc/32/92/15/333329215.db2.gz PEBRZDRGEVMIRT-UHFFFAOYSA-N 0 0 306.387 2.115 10 30 DEEERN C=C(C)CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000161134289 333818616 /nfs/dbraw/zinc/81/86/16/333818616.db2.gz FOLGPUWYYBFOBF-OAHLLOKOSA-N 0 0 318.392 2.299 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H](NC(=O)c1ccccn1)C(C)C ZINC000340051863 334118152 /nfs/dbraw/zinc/11/81/52/334118152.db2.gz ROEUZKSPLFWUCS-HNNXBMFYSA-N 0 0 301.390 2.037 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(Br)c(F)c1F ZINC000529024318 334180152 /nfs/dbraw/zinc/18/01/52/334180152.db2.gz DSWPMSJLVSEKQN-ZETCQYMHSA-N 0 0 320.133 2.394 10 30 DEEERN C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000344163616 335226424 /nfs/dbraw/zinc/22/64/24/335226424.db2.gz VZEQFAOGTSUECB-CVEARBPZSA-N 0 0 323.481 2.075 10 30 DEEERN N#C[C@H]1CN(C(=O)Nc2cc(F)c(F)c(F)c2)CCN1C1CC1 ZINC000361480191 336758439 /nfs/dbraw/zinc/75/84/39/336758439.db2.gz ZDTGTTSFRPGFOS-NSHDSACASA-N 0 0 324.306 2.308 10 30 DEEERN C=C(C)COCCNC(=O)NC[C@@H]1CSc2ccccc2O1 ZINC000582483425 337096914 /nfs/dbraw/zinc/09/69/14/337096914.db2.gz JAAYXSVCPMWEOW-CYBMUJFWSA-N 0 0 322.430 2.432 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cn(C)nc1-c1cccs1 ZINC000582601108 337111850 /nfs/dbraw/zinc/11/18/50/337111850.db2.gz CBAMADDJOQKVGY-AAEUAGOBSA-N 0 0 317.414 2.470 10 30 DEEERN C#C[C@H](C)NC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000185319542 337204997 /nfs/dbraw/zinc/20/49/97/337204997.db2.gz HJKLVTSGNWWMFF-WCBMZHEXSA-N 0 0 311.307 2.047 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000583020836 337225920 /nfs/dbraw/zinc/22/59/20/337225920.db2.gz DVLAEPZMMPGEJD-YHUYYLMFSA-N 0 0 307.415 2.053 10 30 DEEERN CCS(=O)(=O)Nc1ccc2c(c1)CCC(=O)[C@@H]2CCC#N ZINC000584601616 337370934 /nfs/dbraw/zinc/37/09/34/337370934.db2.gz DKSYOOLCFLHXDY-CQSZACIVSA-N 0 0 306.387 2.351 10 30 DEEERN C=CCOc1ccc(CNCc2cnn(CC)n2)cc1OC ZINC000527736943 337759826 /nfs/dbraw/zinc/75/98/26/337759826.db2.gz SGZWTFYJOKTYKL-UHFFFAOYSA-N 0 0 302.378 2.161 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCC[C@H]1CCO[C@H](C)C1 ZINC000514872261 337973821 /nfs/dbraw/zinc/97/38/21/337973821.db2.gz HKUADDCKDALYHM-CABCVRRESA-N 0 0 310.438 2.170 10 30 DEEERN C=CCOc1ccccc1CNC(=O)COCc1cc(C)no1 ZINC000193633127 340580725 /nfs/dbraw/zinc/58/07/25/340580725.db2.gz VZJBZTILLNPTJN-UHFFFAOYSA-N 0 0 316.357 2.381 10 30 DEEERN C=CC[C@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)c(C)o2)C1 ZINC000529518617 340758869 /nfs/dbraw/zinc/75/88/69/340758869.db2.gz LWJCGMVQRKMUFB-LBPRGKRZSA-N 0 0 311.403 2.420 10 30 DEEERN Cc1cc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c[nH]c1=O ZINC000542799016 341021058 /nfs/dbraw/zinc/02/10/58/341021058.db2.gz AZZLZXZCVPBUBY-MRXNPFEDSA-N 0 0 319.361 2.296 10 30 DEEERN Cc1cccc(N(CCC#N)S(=O)(=O)N2CCC[C@@H]2C)c1 ZINC000547434372 341213133 /nfs/dbraw/zinc/21/31/33/341213133.db2.gz XBXCSZAROPCYDO-AWEZNQCLSA-N 0 0 307.419 2.444 10 30 DEEERN CC#CCNC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000135386594 341238367 /nfs/dbraw/zinc/23/83/67/341238367.db2.gz MPCALFPZMJRKSY-CYBMUJFWSA-N 0 0 321.371 2.252 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CC4(C3)CCCC4)cc2C1=O ZINC000547982560 341242117 /nfs/dbraw/zinc/24/21/17/341242117.db2.gz DBTRDMWPEZALLH-UHFFFAOYSA-N 0 0 324.380 2.485 10 30 DEEERN CC#CCNC(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1 ZINC000135693272 341244259 /nfs/dbraw/zinc/24/42/59/341244259.db2.gz ZCGOAVHJSDGKQR-OAHLLOKOSA-N 0 0 316.401 2.233 10 30 DEEERN C=CCn1c(CC)nnc1N1CC[S@](=O)C(CC)(CC)C1 ZINC000548852326 341278070 /nfs/dbraw/zinc/27/80/70/341278070.db2.gz HSKRCWGUVIAKLP-NRFANRHFSA-N 0 0 310.467 2.154 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC000549294347 341290614 /nfs/dbraw/zinc/29/06/14/341290614.db2.gz VQOWXWPVTUPHFD-CYBMUJFWSA-N 0 0 300.410 2.144 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CC[C@@H](C(C)C)C1 ZINC000549677293 341300265 /nfs/dbraw/zinc/30/02/65/341300265.db2.gz UOFQDICLGBFPOM-CABCVRRESA-N 0 0 320.437 2.424 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000564638549 341505744 /nfs/dbraw/zinc/50/57/44/341505744.db2.gz KLQKPFKNUPHALC-UTSKFRMZSA-N 0 0 322.449 2.445 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H](C)N1Cc2ccccc2NC(=O)C1 ZINC000565174008 341519354 /nfs/dbraw/zinc/51/93/54/341519354.db2.gz SSHXRUWLNCZAGO-CQSZACIVSA-N 0 0 313.401 2.030 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000566486835 341559711 /nfs/dbraw/zinc/55/97/11/341559711.db2.gz OAHPYRZNNRNCHQ-GFCCVEGCSA-N 0 0 302.365 2.401 10 30 DEEERN CC(C)CCN(CCC#N)C(=O)Nc1cnc(N(C)C)nc1 ZINC000154692247 341594044 /nfs/dbraw/zinc/59/40/44/341594044.db2.gz GNIXWWJCZQUBAJ-UHFFFAOYSA-N 0 0 304.398 2.336 10 30 DEEERN C=CCC[C@H]1NC(=O)N(C[C@@H]2CSc3ccccc3O2)C1=O ZINC000567884693 341638598 /nfs/dbraw/zinc/63/85/98/341638598.db2.gz HHZVMXCXCZIUNV-VXGBXAGGSA-N 0 0 318.398 2.426 10 30 DEEERN C=CCCCNC(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000568021651 341646172 /nfs/dbraw/zinc/64/61/72/341646172.db2.gz CWKFDKKBTLKVAD-HNNXBMFYSA-N 0 0 301.390 2.447 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@@H](CCOC)C1 ZINC000568755969 341680577 /nfs/dbraw/zinc/68/05/77/341680577.db2.gz WRCIMRNBJKLKKU-JYJNAYRXSA-N 0 0 310.438 2.426 10 30 DEEERN CC(=O)N1CC[C@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000568891767 341684561 /nfs/dbraw/zinc/68/45/61/341684561.db2.gz XXZRKNVZDRTBST-CQSZACIVSA-N 0 0 313.401 2.086 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCc1ccc(F)cc1F ZINC000568908481 341685066 /nfs/dbraw/zinc/68/50/66/341685066.db2.gz YKQGCPZARHGNJJ-UHFFFAOYSA-N 0 0 310.344 2.048 10 30 DEEERN C=CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC000573527843 341730971 /nfs/dbraw/zinc/73/09/71/341730971.db2.gz GYGBFSBHGIBUJX-STQMWFEESA-N 0 0 324.388 2.100 10 30 DEEERN C=CCOCCCC(=O)Nc1ncc(C(=O)OC)cc1Cl ZINC000574500124 341760478 /nfs/dbraw/zinc/76/04/78/341760478.db2.gz IBJDDNLIRHPMCV-UHFFFAOYSA-N 0 0 312.753 2.443 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000577351020 341905506 /nfs/dbraw/zinc/90/55/06/341905506.db2.gz SGHUZACUZNACMZ-KSYCFECVSA-N 0 0 314.385 2.354 10 30 DEEERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1nn(C)cc1C#N ZINC000610821426 483937636 /nfs/dbraw/zinc/93/76/36/483937636.db2.gz YXZGZUITQGCKRR-NSHDSACASA-N 0 0 313.361 2.092 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)Oc1ccc(F)c(F)c1 ZINC000424929649 500571465 /nfs/dbraw/zinc/57/14/65/500571465.db2.gz CHKIRTKEFAPIGQ-ZETOZRRWSA-N 0 0 311.328 2.439 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000555617657 500573529 /nfs/dbraw/zinc/57/35/29/500573529.db2.gz WMLHWLRTZBUZPX-UPJWGTAASA-N 0 0 321.339 2.129 10 30 DEEERN C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H]1CC(C)(C)C ZINC000407955649 534290371 /nfs/dbraw/zinc/29/03/71/534290371.db2.gz RYLGKRHATOEQHL-CHWSQXEVSA-N 0 0 301.456 2.223 10 30 DEEERN CN(C)c1nc2ccc(NC(=O)N3C[C@H]4CC[C@@H](C3)O4)cc2o1 ZINC000328800677 517917398 /nfs/dbraw/zinc/91/73/98/517917398.db2.gz IPQIWSSUSQQLTA-TXEJJXNPSA-N 0 0 316.361 2.303 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CC[C@@H]([C@@H](O)C(F)(F)F)C1)OCC ZINC000456679196 534329709 /nfs/dbraw/zinc/32/97/09/534329709.db2.gz HCNICKMFLWOGGG-NTZNESFSSA-N 0 0 309.328 2.129 10 30 DEEERN Cc1noc(C)c1CCNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330064302 534336609 /nfs/dbraw/zinc/33/66/09/534336609.db2.gz CDYBRDRRRHNFFJ-UKRRQHHQSA-N 0 0 318.377 2.302 10 30 DEEERN C=C(CC)CNC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000454737271 534410609 /nfs/dbraw/zinc/41/06/09/534410609.db2.gz CNDVJCPWYXQCJY-ZDUSSCGKSA-N 0 0 314.389 2.050 10 30 DEEERN C=CC(C)(C)CNC(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000456119705 534516886 /nfs/dbraw/zinc/51/68/86/534516886.db2.gz SPFNLMHUBVWWGN-CYBMUJFWSA-N 0 0 310.463 2.407 10 30 DEEERN N#CCCN(CC1CC1)C(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193392979 534636225 /nfs/dbraw/zinc/63/62/25/534636225.db2.gz ATKPMAUPNPXFKI-UHFFFAOYSA-N 0 0 310.357 2.259 10 30 DEEERN N#CC[C@H](CC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000373579373 534713941 /nfs/dbraw/zinc/71/39/41/534713941.db2.gz UFRWZGBLJPLAKX-SJLPKXTDSA-N 0 0 322.412 2.273 10 30 DEEERN CC(=O)N(C)c1ccccc1NC(=O)Cc1noc(C)c1C#N ZINC000354725358 534746235 /nfs/dbraw/zinc/74/62/35/534746235.db2.gz HVZQYRFCBIOSNM-UHFFFAOYSA-N 0 0 312.329 2.019 10 30 DEEERN C=CCC[C@H](CO)NC(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000454604174 534802888 /nfs/dbraw/zinc/80/28/88/534802888.db2.gz KBBYOEXKRLYARP-CQSZACIVSA-N 0 0 316.361 2.494 10 30 DEEERN CC(C)(C)OC(=O)CCC(=O)NCCOc1ccc(C#N)cc1 ZINC000192320937 526347181 /nfs/dbraw/zinc/34/71/81/526347181.db2.gz FTVOBLUEBDIEHA-UHFFFAOYSA-N 0 0 318.373 2.175 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]c(C)n1 ZINC000339266345 526349530 /nfs/dbraw/zinc/34/95/30/526349530.db2.gz YAFHFNUSTOVEOJ-UHFFFAOYSA-N 0 0 300.318 2.455 10 30 DEEERN CC#CCN(C)C(=O)c1cccc(-c2nnc(CCOC)o2)c1 ZINC000341045811 526354927 /nfs/dbraw/zinc/35/49/27/526354927.db2.gz KVCIYSJXUKQINT-UHFFFAOYSA-N 0 0 313.357 2.021 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)NCC(=O)NCC1CC1 ZINC000183773638 526362009 /nfs/dbraw/zinc/36/20/09/526362009.db2.gz RLUQNEYPQWMBGP-UHFFFAOYSA-N 0 0 319.380 2.050 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CC[C@H](C)C3)cc2C1=O ZINC000444325344 526410972 /nfs/dbraw/zinc/41/09/72/526410972.db2.gz ZTYGKEWFUAOYBU-WCQYABFASA-N 0 0 312.369 2.387 10 30 DEEERN C=C(C)C(C)(C)c1nc(-c2ccc(S(N)(=O)=O)cc2)no1 ZINC000424215710 526437227 /nfs/dbraw/zinc/43/72/27/526437227.db2.gz GRIFCDUJFCXLJB-UHFFFAOYSA-N 0 0 307.375 2.238 10 30 DEEERN C=CCN1CC[C@@H](Nc2ccc(F)c(C(=O)OC)c2C)C1=O ZINC000357183180 526485925 /nfs/dbraw/zinc/48/59/25/526485925.db2.gz AFDVZYOMCONACL-CYBMUJFWSA-N 0 0 306.337 2.120 10 30 DEEERN C=CCN1CC[C@@H](Nc2ccccc2C(=O)NC(C)C)C1=O ZINC000281322051 526487346 /nfs/dbraw/zinc/48/73/46/526487346.db2.gz VEDZSYZZQOGMPD-OAHLLOKOSA-N 0 0 301.390 2.024 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCN([C@@H](C)c2nccs2)CC1 ZINC000287801514 526672253 /nfs/dbraw/zinc/67/22/53/526672253.db2.gz JACIATQNVLKPTF-AWEZNQCLSA-N 0 0 315.442 2.011 10 30 DEEERN C#CCC(CC#C)C(=O)NCCCc1cc(OC)ccc1OC ZINC000287516790 526673074 /nfs/dbraw/zinc/67/30/74/526673074.db2.gz BJFRDEPOKBHRMX-UHFFFAOYSA-N 0 0 313.397 2.415 10 30 DEEERN C=CCNS(=O)(=O)c1ccccc1C(=O)c1ccccc1 ZINC000186005915 526678330 /nfs/dbraw/zinc/67/83/30/526678330.db2.gz AOCYOEKEOFYLHF-UHFFFAOYSA-N 0 0 301.367 2.382 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NC2(C(F)F)CC2)cc1Cl ZINC000336973181 526681710 /nfs/dbraw/zinc/68/17/10/526681710.db2.gz RPCMESFGEVHBMW-UHFFFAOYSA-N 0 0 306.721 2.288 10 30 DEEERN C#CCCCCNC(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000288742103 526695821 /nfs/dbraw/zinc/69/58/21/526695821.db2.gz DBXHCHYZTQZBOW-UHFFFAOYSA-N 0 0 300.358 2.373 10 30 DEEERN C#CCCCS(=O)(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000376292475 526718333 /nfs/dbraw/zinc/71/83/33/526718333.db2.gz ZTTGZOFKWIKUBX-AWEZNQCLSA-N 0 0 321.398 2.295 10 30 DEEERN C=C(C)Cn1c(CC(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC000359253222 526727048 /nfs/dbraw/zinc/72/70/48/526727048.db2.gz NCUHUHVEUQIQTA-CQSZACIVSA-N 0 0 319.453 2.110 10 30 DEEERN C#CCCNC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000369286652 526732409 /nfs/dbraw/zinc/73/24/09/526732409.db2.gz WNGLMEXQQYSOOG-INIZCTEOSA-N 0 0 304.365 2.304 10 30 DEEERN C=C(C)Cn1c(N2CCN(C3CC3)CC2)nnc1C(C)(C)C ZINC000338844885 526733196 /nfs/dbraw/zinc/73/31/96/526733196.db2.gz RYXOQZDSIGAANZ-UHFFFAOYSA-N 0 0 303.454 2.436 10 30 DEEERN C=CCOCCCC(=O)N[C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000187109377 526741409 /nfs/dbraw/zinc/74/14/09/526741409.db2.gz HKTBSXVRXUEUEN-HUUCEWRRSA-N 0 0 311.422 2.060 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)OCC ZINC000339370675 526742336 /nfs/dbraw/zinc/74/23/36/526742336.db2.gz BNTVDCPZYQFCGG-HZPDHXFCSA-N 0 0 322.449 2.219 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCC[C@@H]1C(=O)N(CC)CC)OCC ZINC000339364522 526744014 /nfs/dbraw/zinc/74/40/14/526744014.db2.gz VHHSSKZIRLBNON-HUUCEWRRSA-N 0 0 310.438 2.217 10 30 DEEERN C#CCCS(=O)(=O)NCc1cccc(-c2cccnc2)c1 ZINC000367957572 526750772 /nfs/dbraw/zinc/75/07/72/526750772.db2.gz LVOTVLCRGBWBKW-UHFFFAOYSA-N 0 0 300.383 2.191 10 30 DEEERN C=CCOCCNC(=O)N1CCC(Cc2cccnc2)CC1 ZINC000371637807 526773951 /nfs/dbraw/zinc/77/39/51/526773951.db2.gz LRDPXNSEKBMLFI-UHFFFAOYSA-N 0 0 303.406 2.248 10 30 DEEERN C=CCOCCNC(=O)NC1CCN(c2cccc(F)c2)CC1 ZINC000375832840 526778503 /nfs/dbraw/zinc/77/85/03/526778503.db2.gz RCYKXHPIRSJRTF-UHFFFAOYSA-N 0 0 321.396 2.296 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000437470013 526778721 /nfs/dbraw/zinc/77/87/21/526778721.db2.gz FRRVCJLHOSQIAI-UNEWFSDZSA-N 0 0 319.401 2.044 10 30 DEEERN C=CCOCCNC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000371634627 526779931 /nfs/dbraw/zinc/77/99/31/526779931.db2.gz PATCVXHGVXQSOL-HNNXBMFYSA-N 0 0 321.396 2.296 10 30 DEEERN C=CCOC[C@@H](NCc1ccc2nc(C)sc2c1)C(=O)OC ZINC000361114962 526793381 /nfs/dbraw/zinc/79/33/81/526793381.db2.gz VGBFFXXRBWIHIZ-CQSZACIVSA-N 0 0 320.414 2.439 10 30 DEEERN C=CCOC[C@H](NC(=O)C/C=C/c1cccc(F)c1)C(=O)OC ZINC000435946677 526802725 /nfs/dbraw/zinc/80/27/25/526802725.db2.gz ZGHLNSHOVARNKN-ZKKXHLJNSA-N 0 0 321.348 2.089 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)c1cn[nH]c1 ZINC000344046034 526829555 /nfs/dbraw/zinc/82/95/55/526829555.db2.gz JVXNVFKAHSSELT-LLVKDONJSA-N 0 0 301.346 2.474 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1COC2(CCCCC2)O1 ZINC000377463751 526841312 /nfs/dbraw/zinc/84/13/12/526841312.db2.gz KJMHPIDOQFJALU-RRFJBIMHSA-N 0 0 309.406 2.160 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1OCCc2ccccc21 ZINC000377472316 526841746 /nfs/dbraw/zinc/84/17/46/526841746.db2.gz YSXGBJKKBBKSHV-IXDOHACOSA-N 0 0 301.386 2.398 10 30 DEEERN C#CCN(CC#C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000299330283 526847997 /nfs/dbraw/zinc/84/79/97/526847997.db2.gz PTYXBLBEXVXNND-QGZVFWFLSA-N 0 0 307.397 2.199 10 30 DEEERN C=C(CSc1nnc(-c2ccncc2)n1C)C(=O)OCC ZINC000190982479 526884395 /nfs/dbraw/zinc/88/43/95/526884395.db2.gz ANVSEKBMGHHGIC-UHFFFAOYSA-N 0 0 304.375 2.089 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000370974882 526923539 /nfs/dbraw/zinc/92/35/39/526923539.db2.gz VSLOWNNRKNFDQJ-OAHLLOKOSA-N 0 0 311.385 2.064 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CCC(n2cncn2)CC1 ZINC000194711195 526924243 /nfs/dbraw/zinc/92/42/43/526924243.db2.gz IDVONVNZRBFBMR-UHFFFAOYSA-N 0 0 312.373 2.320 10 30 DEEERN C=CC1CCN(C(=O)CCc2nc(-c3ccncc3)no2)CC1 ZINC000110369607 526962432 /nfs/dbraw/zinc/96/24/32/526962432.db2.gz XYBJCGPTDDJQJB-UHFFFAOYSA-N 0 0 312.373 2.489 10 30 DEEERN C=CCC(C)(C)CNC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000352534785 527001164 /nfs/dbraw/zinc/00/11/64/527001164.db2.gz JCXYIFSMLPHITB-UHFFFAOYSA-N 0 0 304.390 2.144 10 30 DEEERN C=CC[C@@H](C(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000189903106 527014654 /nfs/dbraw/zinc/01/46/54/527014654.db2.gz YWTDOIKULLGCNP-QZTJIDSGSA-N 0 0 314.429 2.279 10 30 DEEERN C=CC[C@@H](C)NC(=O)c1cnn(-c2ccc(OCC)nn2)c1C ZINC000116863347 527032137 /nfs/dbraw/zinc/03/21/37/527032137.db2.gz MODOGCKVQAAHRJ-LLVKDONJSA-N 0 0 315.377 2.064 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000341387521 527041809 /nfs/dbraw/zinc/04/18/09/527041809.db2.gz VIKVZRUUXWNGBQ-CQSZACIVSA-N 0 0 313.405 2.140 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@H](CCNC(C)=O)C2)CCOCC1 ZINC000424847525 527042053 /nfs/dbraw/zinc/04/20/53/527042053.db2.gz KMPNPFAHLPCGSO-MRXNPFEDSA-N 0 0 322.449 2.124 10 30 DEEERN C=CCC1(C(=O)N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)CCOCC1 ZINC000424868952 527047319 /nfs/dbraw/zinc/04/73/19/527047319.db2.gz VAFLDSGDFJQDAH-VXGBXAGGSA-N 0 0 321.339 2.131 10 30 DEEERN C=CCCC(=O)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191914147 527067560 /nfs/dbraw/zinc/06/75/60/527067560.db2.gz XWLVTNSTRYCJKJ-UHFFFAOYSA-N 0 0 310.438 2.217 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc([C@H](C)C(=O)OC)cc1 ZINC000417394265 527096000 /nfs/dbraw/zinc/09/60/00/527096000.db2.gz PUKCHTBJLQQOTQ-FZMZJTMJSA-N 0 0 306.362 2.022 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)N[C@@H]1CCO[C@@H](CC)C1 ZINC000422623156 527120715 /nfs/dbraw/zinc/12/07/15/527120715.db2.gz ZGPLGFDQYCWKPY-CABCVRRESA-N 0 0 310.438 2.265 10 30 DEEERN C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(Cl)c1C(=O)OC ZINC000411234198 527125944 /nfs/dbraw/zinc/12/59/44/527125944.db2.gz BEOVFOUAIIJRTB-VIFPVBQESA-N 0 0 324.764 2.146 10 30 DEEERN C=CC[C@H](C)NC(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000378307110 527127677 /nfs/dbraw/zinc/12/76/77/527127677.db2.gz PFKZXLHXZLDZCH-FZMZJTMJSA-N 0 0 306.410 2.084 10 30 DEEERN C#CCOc1ccccc1NC(=O)N[C@@H](CC)[C@@H](O)C(F)F ZINC000296555475 527133716 /nfs/dbraw/zinc/13/37/16/527133716.db2.gz CBRMIMYOEOPRME-GXFFZTMASA-N 0 0 312.316 2.225 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000374269245 527148343 /nfs/dbraw/zinc/14/83/43/527148343.db2.gz ARQMJFMGAQXQRV-AWEZNQCLSA-N 0 0 306.385 2.407 10 30 DEEERN C=CCCCCNC(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000372140937 527152797 /nfs/dbraw/zinc/15/27/97/527152797.db2.gz UREOXCRJXVQIBY-HNNXBMFYSA-N 0 0 320.437 2.476 10 30 DEEERN C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc(CC)ccc1CC ZINC000341434180 527165842 /nfs/dbraw/zinc/16/58/42/527165842.db2.gz QMSIKOAVUWEPMH-AWEZNQCLSA-N 0 0 318.417 2.051 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000288077626 527172184 /nfs/dbraw/zinc/17/21/84/527172184.db2.gz GVVRKCKXNVFWFF-RCCFBDPRSA-N 0 0 314.429 2.471 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC(CO)CC1 ZINC000288212825 527172993 /nfs/dbraw/zinc/17/29/93/527172993.db2.gz QKMLLMBCPKOREL-QGZVFWFLSA-N 0 0 300.402 2.035 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)Cc1c(F)cccc1F ZINC000410689487 527173058 /nfs/dbraw/zinc/17/30/58/527173058.db2.gz PZWBQKXLOHXDCV-UHFFFAOYSA-N 0 0 310.344 2.348 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCOC2(C1)CCCCCC2 ZINC000410688384 527174129 /nfs/dbraw/zinc/17/41/29/527174129.db2.gz NBVFTQXURBWDOP-UHFFFAOYSA-N 0 0 322.449 2.363 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000340776891 527178855 /nfs/dbraw/zinc/17/88/55/527178855.db2.gz LNYRATAOSWZHPE-HNNXBMFYSA-N 0 0 322.449 2.409 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(F)cc(F)c1F ZINC000293524523 527179951 /nfs/dbraw/zinc/17/99/51/527179951.db2.gz WMVABWRTMFADPL-UHFFFAOYSA-N 0 0 300.280 2.467 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC1CCN(c2cccc(F)c2)CC1 ZINC000375242852 527194697 /nfs/dbraw/zinc/19/46/97/527194697.db2.gz RDXDUBSWGIQWRJ-OAHLLOKOSA-N 0 0 321.396 2.031 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000413832548 527195941 /nfs/dbraw/zinc/19/59/41/527195941.db2.gz JXCZAGJAEXIZKQ-LZWOXQAQSA-N 0 0 304.390 2.035 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412321076 527207756 /nfs/dbraw/zinc/20/77/56/527207756.db2.gz XZLQIBZSPCKJAN-GFCCVEGCSA-N 0 0 308.334 2.049 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2OC ZINC000448373319 527210324 /nfs/dbraw/zinc/21/03/24/527210324.db2.gz GUQJKZRQMLZHOY-CQSZACIVSA-N 0 0 318.373 2.178 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C(=O)OC)C1 ZINC000413822347 527216106 /nfs/dbraw/zinc/21/61/06/527216106.db2.gz KNVDBGAJDVLWBH-JKSUJKDBSA-N 0 0 316.401 2.378 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)Cn1ncn(C)c1=O ZINC000189907764 527258736 /nfs/dbraw/zinc/25/87/36/527258736.db2.gz OSWXFWFSSOXWAH-UHFFFAOYSA-N 0 0 314.389 2.072 10 30 DEEERN C=CCCN(C)C(=O)C(=O)Nc1cc2cccnc2c(OC)c1 ZINC000340363109 527305576 /nfs/dbraw/zinc/30/55/76/527305576.db2.gz ZILSSFIDRXSQLS-UHFFFAOYSA-N 0 0 313.357 2.216 10 30 DEEERN CC(=O)c1ccsc1NCC(=O)N(CCC#N)CCC#N ZINC000291794803 527407829 /nfs/dbraw/zinc/40/78/29/527407829.db2.gz BEGRSCAWMJAEFJ-UHFFFAOYSA-N 0 0 304.375 2.019 10 30 DEEERN C#Cc1ccc(CNC(=O)N(CCCO)Cc2ccccn2)cc1 ZINC000297600814 527435911 /nfs/dbraw/zinc/43/59/11/527435911.db2.gz NLKXEIPTLSEPOU-UHFFFAOYSA-N 0 0 323.396 2.157 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000425781201 527491504 /nfs/dbraw/zinc/49/15/04/527491504.db2.gz GOHLCVPCTSDBHS-FZMZJTMJSA-N 0 0 322.792 2.294 10 30 DEEERN C=CCCn1cc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)nn1 ZINC000424810901 527519357 /nfs/dbraw/zinc/51/93/57/527519357.db2.gz OFTXDOILDZZVJX-JTQLQIEISA-N 0 0 302.300 2.269 10 30 DEEERN C=CCN(C(=O)Nc1cnn(-c2ncccc2C#N)c1)C1CC1 ZINC000372077890 527541186 /nfs/dbraw/zinc/54/11/86/527541186.db2.gz JFIWONHFQHYMHN-UHFFFAOYSA-N 0 0 308.345 2.321 10 30 DEEERN C=CCN(C(=O)[C@@H](C)CC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000355621085 527542238 /nfs/dbraw/zinc/54/22/38/527542238.db2.gz LUPHGVCHMICFDC-QWHCGFSZSA-N 0 0 301.452 2.260 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cn(-c2ccccc2)nn1 ZINC000336969295 527588436 /nfs/dbraw/zinc/58/84/36/527588436.db2.gz NNPVMFLJZYMFDV-UHFFFAOYSA-N 0 0 310.279 2.458 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)N[C@@H](C)c1noc(COCC)n1 ZINC000360450811 527600951 /nfs/dbraw/zinc/60/09/51/527600951.db2.gz XMRFTBKVEBBKET-RYUDHWBXSA-N 0 0 308.382 2.417 10 30 DEEERN CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)N2CCC(C#N)CC2)C1 ZINC000116558026 527715676 /nfs/dbraw/zinc/71/56/76/527715676.db2.gz YESGGOVVWJKRNP-GJZGRUSLSA-N 0 0 320.437 2.015 10 30 DEEERN CCN1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1=O ZINC000192037060 527909667 /nfs/dbraw/zinc/90/96/67/527909667.db2.gz LXUNLYBIPICXFY-UHFFFAOYSA-N 0 0 300.362 2.141 10 30 DEEERN CC(C)[C@](C)(C#N)NC(=O)CN1CC2(CCCC2)OC(C)(C)C1 ZINC000190952519 527928431 /nfs/dbraw/zinc/92/84/31/527928431.db2.gz OKMZNETUBAKKOB-KRWDZBQOSA-N 0 0 321.465 2.464 10 30 DEEERN CC(C)c1cc(C(=O)N2CCOC[C@H]2C#N)nn1C(C)(C)C ZINC000173132519 528021544 /nfs/dbraw/zinc/02/15/44/528021544.db2.gz GEZWBFAQWSJBNG-GFCCVEGCSA-N 0 0 304.394 2.126 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)CN1CCO[C@H](c2cccs2)C1 ZINC000157486097 528694525 /nfs/dbraw/zinc/69/45/25/528694525.db2.gz LXLSNBBNFASJMP-KGLIPLIRSA-N 0 0 321.446 2.130 10 30 DEEERN CC(C)[C@@H]1C[C@@H](CC(=O)N[C@H]2COC[C@H]2n2ccnn2)CCO1 ZINC000329130061 528755627 /nfs/dbraw/zinc/75/56/27/528755627.db2.gz OEGQKTOFYXLFTD-XQLPTFJDSA-N 0 0 322.409 2.016 10 30 DEEERN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H](c2nccs2)C1 ZINC000249871864 528849342 /nfs/dbraw/zinc/84/93/42/528849342.db2.gz KCNNYQBAXHJXDM-CZUORRHYSA-N 0 0 320.462 2.377 10 30 DEEERN CC(C)NC(=O)NC1(C(=O)N[C@@H]2CCC[C@H]2C#N)CCCCC1 ZINC000408288759 529136663 /nfs/dbraw/zinc/13/66/63/529136663.db2.gz ZZXQITPIGBSJAP-UONOGXRCSA-N 0 0 320.437 2.205 10 30 DEEERN CC(C)c1nnc2ccc(NC(=O)c3cc(C#N)cn3C)cn21 ZINC000189272464 535010988 /nfs/dbraw/zinc/01/09/88/535010988.db2.gz CTHDYOYRPAVGAL-UHFFFAOYSA-N 0 0 308.345 2.315 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(C#N)ccc3F)[C@H]2C1 ZINC000246400812 536699459 /nfs/dbraw/zinc/69/94/59/536699459.db2.gz HULHNEDTHJHAJB-PVAVHDDUSA-N 0 0 304.365 2.466 10 30 DEEERN CCOC(=O)C1(C(=O)OC[C@H](C#N)Cc2cccs2)CC1 ZINC000181424369 625352059 /nfs/dbraw/zinc/35/20/59/625352059.db2.gz HUORGEIKSZPGOL-NSHDSACASA-N 0 0 307.371 2.317 10 30 DEEERN C=CCCOC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1 ZINC000103650744 625358759 /nfs/dbraw/zinc/35/87/59/625358759.db2.gz XLTAHTITLWDUIZ-ZDUSSCGKSA-N 0 0 303.358 2.476 10 30 DEEERN C#CC[C@@H](OC(=O)c1cn(CC(=O)C(C)(C)C)nn1)C(C)(C)C ZINC000159781228 625362577 /nfs/dbraw/zinc/36/25/77/625362577.db2.gz OKPLXGCYRFKCMV-CQSZACIVSA-N 0 0 319.405 2.488 10 30 DEEERN C=CCOCCCC(=O)O[C@H]1C[C@H](OCC)C12CCOCC2 ZINC000187654066 625449690 /nfs/dbraw/zinc/44/96/90/625449690.db2.gz NTDBHRGWULVTSX-GJZGRUSLSA-N 0 0 312.406 2.487 10 30 DEEERN CC(=O)N1CSC[C@@H]1C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000175779572 623132941 /nfs/dbraw/zinc/13/29/41/623132941.db2.gz LYANKYAQPBWEJM-QMTHXVAHSA-N 0 0 304.371 2.084 10 30 DEEERN N#Cc1c(N2CCO[C@H](C(F)F)C2)nc2cc(Cl)ccn12 ZINC000804693788 623160032 /nfs/dbraw/zinc/16/00/32/623160032.db2.gz IMHXFDVFCKXTEX-JTQLQIEISA-N 0 0 312.707 2.330 10 30 DEEERN CCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1C ZINC000255391718 624559174 /nfs/dbraw/zinc/55/91/74/624559174.db2.gz LVCTWBXQAQUOFW-LBPRGKRZSA-N 0 0 305.403 2.083 10 30 DEEERN CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C#N)cn2C)cc1 ZINC000176091834 624623628 /nfs/dbraw/zinc/62/36/28/624623628.db2.gz HWEWUBKFMMFYHN-HNNXBMFYSA-N 0 0 320.352 2.420 10 30 DEEERN C=CCNC(=O)COC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000107661198 624792106 /nfs/dbraw/zinc/79/21/06/624792106.db2.gz JPYVFBWNQWZKBR-UHFFFAOYSA-N 0 0 304.733 2.347 10 30 DEEERN Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C#N)C1CC1)C(C)C ZINC000161922400 625250093 /nfs/dbraw/zinc/25/00/93/625250093.db2.gz MXXPVYAYKJDEIE-JKSUJKDBSA-N 0 0 313.401 2.168 10 30 DEEERN C#CC[C@H](OC(=O)c1cc(S(C)(=O)=O)cs1)C(C)C ZINC000179507806 625751118 /nfs/dbraw/zinc/75/11/18/625751118.db2.gz BOOZPBKVYCMFPW-NSHDSACASA-N 0 0 300.401 2.356 10 30 DEEERN Cc1ccc(N2CCOC2=O)cc1NC(=O)c1cc(C#N)cn1C ZINC000177515737 625963727 /nfs/dbraw/zinc/96/37/27/625963727.db2.gz LXLRKVMYHUYQJY-UHFFFAOYSA-N 0 0 324.340 2.414 10 30 DEEERN C#CCCNC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000733625665 633251280 /nfs/dbraw/zinc/25/12/80/633251280.db2.gz YGFZPCNMCNUBAL-ZIAGYGMSSA-N 0 0 301.390 2.445 10 30 DEEERN N#CCOc1ccc(CC(=O)Nc2ccc3nccn3c2)cc1 ZINC000733966810 633305518 /nfs/dbraw/zinc/30/55/18/633305518.db2.gz GKFWLEMSRPHBNY-UHFFFAOYSA-N 0 0 306.325 2.418 10 30 DEEERN C=CC[C@H](NC(=O)NCCCN1CCCC1=O)c1ccncc1 ZINC000734651895 633411158 /nfs/dbraw/zinc/41/11/58/633411158.db2.gz DPARWXKSRCVXAR-HNNXBMFYSA-N 0 0 316.405 2.011 10 30 DEEERN CC(C)CN(CC(N)=O)Cc1cc(Cl)ccc1OCC#N ZINC000735307024 633500652 /nfs/dbraw/zinc/50/06/52/633500652.db2.gz WXMUIUQKBODQSI-UHFFFAOYSA-N 0 0 309.797 2.186 10 30 DEEERN Cn1cc([C@@H]2CCN(C(=O)Nc3cc(C#N)ccc3F)C2)cn1 ZINC000888358200 633832022 /nfs/dbraw/zinc/83/20/22/633832022.db2.gz UFFNHHYNUOUDHC-GFCCVEGCSA-N 0 0 313.336 2.452 10 30 DEEERN C=CCCO[C@@H](C)C(=O)OCCn1c2ccccc2oc1=O ZINC000066960309 635050868 /nfs/dbraw/zinc/05/08/68/635050868.db2.gz DCHDKDYCAQKALB-LBPRGKRZSA-N 0 0 305.330 2.119 10 30 DEEERN COc1ccc(CCNN=Cc2ccc(-n3cncn3)cc2)cc1 ZINC000737440805 637320065 /nfs/dbraw/zinc/32/00/65/637320065.db2.gz QHAQXJVPKQYUAK-UHFFFAOYSA-N 0 0 321.384 2.442 10 30 DEEERN C=CCNC(=O)NC(=O)COC(=O)CC/C=C/c1ccccc1 ZINC000738677933 637498296 /nfs/dbraw/zinc/49/82/96/637498296.db2.gz SXEOPVAKOGSUPQ-UXBLZVDNSA-N 0 0 316.357 2.035 10 30 DEEERN C#CCSCCNC(=O)N[C@H](C)Cc1cccc(OC)c1 ZINC000740050916 637780212 /nfs/dbraw/zinc/78/02/12/637780212.db2.gz GCVZZRQUQRARFI-CYBMUJFWSA-N 0 0 306.431 2.292 10 30 DEEERN C#CCNC(=O)[C@@H](C)OC(=O)[C@H](Sc1ccccc1)C(C)C ZINC000727212344 637782143 /nfs/dbraw/zinc/78/21/43/637782143.db2.gz IHYGUBXXFCZBPH-UKRRQHHQSA-N 0 0 319.426 2.484 10 30 DEEERN C#Cc1cccc(NC(=O)[C@H](NC(=O)c2ccccn2)C(C)C)c1 ZINC000727300989 637819892 /nfs/dbraw/zinc/81/98/92/637819892.db2.gz RXLNWHGGORFSLJ-QGZVFWFLSA-N 0 0 321.380 2.456 10 30 DEEERN C=CCNC(=O)COC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000746089734 638309653 /nfs/dbraw/zinc/30/96/53/638309653.db2.gz XRVDXKZZTBWTAP-UHFFFAOYSA-N 0 0 300.358 2.254 10 30 DEEERN C#CCNC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000746090184 638309787 /nfs/dbraw/zinc/30/97/87/638309787.db2.gz SGXYABRZTOASBK-CYBMUJFWSA-N 0 0 312.369 2.090 10 30 DEEERN COc1ccc(CNc2cncc(-n3cccn3)n2)cc1C#N ZINC000746704650 638371577 /nfs/dbraw/zinc/37/15/77/638371577.db2.gz FRDVMAZLCBWGSX-UHFFFAOYSA-N 0 0 306.329 2.155 10 30 DEEERN CCCCOCCNC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746717486 638372674 /nfs/dbraw/zinc/37/26/74/638372674.db2.gz XKBROCFASXQVTL-UHFFFAOYSA-N 0 0 305.378 2.183 10 30 DEEERN COc1ccc(CNC(=O)N[C@H](C)C[C@H]2CCOC2)cc1C#N ZINC000746748856 638374674 /nfs/dbraw/zinc/37/46/74/638374674.db2.gz WZPIQGVQMRQBCT-TZMCWYRMSA-N 0 0 317.389 2.181 10 30 DEEERN COc1ccc(CNC(=O)c2csc([N+](=O)[O-])c2)cc1C#N ZINC000746860003 638381703 /nfs/dbraw/zinc/38/17/03/638381703.db2.gz VDZPQYLKHASOQC-UHFFFAOYSA-N 0 0 317.326 2.467 10 30 DEEERN COc1ccc(CNC(=O)Cc2ccc3c(c2)CCO3)cc1C#N ZINC000746887184 638384486 /nfs/dbraw/zinc/38/44/86/638384486.db2.gz PJQONPPAWLISRY-UHFFFAOYSA-N 0 0 322.364 2.361 10 30 DEEERN COc1ccc(CNC(=O)c2c(C)cc(C)[nH]c2=O)cc1C#N ZINC000747065789 638403802 /nfs/dbraw/zinc/40/38/02/638403802.db2.gz SWZMBPNVZOSMKB-UHFFFAOYSA-N 0 0 311.341 2.214 10 30 DEEERN COc1ccc(CNC(=O)N(CCO)CC(C)(C)C)cc1C#N ZINC000747423874 638436720 /nfs/dbraw/zinc/43/67/20/638436720.db2.gz XOAARZWTTFURDR-UHFFFAOYSA-N 0 0 319.405 2.117 10 30 DEEERN COc1ccc(CNC(=O)COc2ccc(C=O)cc2)cc1C#N ZINC000747446726 638438543 /nfs/dbraw/zinc/43/85/43/638438543.db2.gz DXMQISOPWNFAJW-UHFFFAOYSA-N 0 0 324.336 2.075 10 30 DEEERN CC(=O)N1CCC[C@H](COC(=O)c2ccc(C#N)cc2C)C1 ZINC000748905485 638602174 /nfs/dbraw/zinc/60/21/74/638602174.db2.gz KCBDIYGSDGUEOK-HNNXBMFYSA-N 0 0 300.358 2.282 10 30 DEEERN Cc1cc([C@@](C)(O)CNC(=O)Cc2cccc(C#N)c2)c(C)o1 ZINC000749540799 638658318 /nfs/dbraw/zinc/65/83/18/638658318.db2.gz WNLFFGYVTAPHAZ-SFHVURJKSA-N 0 0 312.369 2.335 10 30 DEEERN Cc1cc([C@](C)(O)CNC(=O)Cc2cccc(C#N)c2)c(C)o1 ZINC000749540798 638658896 /nfs/dbraw/zinc/65/88/96/638658896.db2.gz WNLFFGYVTAPHAZ-GOSISDBHSA-N 0 0 312.369 2.335 10 30 DEEERN N#Cc1cccc(CC(=O)OCc2nc(N)c3ccccc3n2)c1 ZINC000750429348 638743915 /nfs/dbraw/zinc/74/39/15/638743915.db2.gz BKZHZPRSNUITOK-UHFFFAOYSA-N 0 0 318.336 2.370 10 30 DEEERN CC(C)CCNC(=O)[C@H](C)OC(=O)Cc1cccc(C#N)c1 ZINC000750434300 638744664 /nfs/dbraw/zinc/74/46/64/638744664.db2.gz QXVCFIFANPQVRP-ZDUSSCGKSA-N 0 0 302.374 2.195 10 30 DEEERN C=CCN(CC(F)(F)F)S(=O)(=O)c1sc(C)nc1C ZINC000751244743 639068184 /nfs/dbraw/zinc/06/81/84/639068184.db2.gz KZRTXPWLPPUTSO-UHFFFAOYSA-N 0 0 314.354 2.499 10 30 DEEERN C=C(COC(=O)c1cc(Br)cn1C)C(=O)OCC ZINC000751641899 639101814 /nfs/dbraw/zinc/10/18/14/639101814.db2.gz PSIZNLVDIRDQRZ-UHFFFAOYSA-N 0 0 316.151 2.064 10 30 DEEERN C#CCN(CC#C)CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000752075624 639153467 /nfs/dbraw/zinc/15/34/67/639153467.db2.gz OKXWXQZTUWFRDX-UHFFFAOYSA-N 0 0 308.425 2.183 10 30 DEEERN C#CCN(CC#C)CCOc1ccc(C(=O)OC)cc1Cl ZINC000752074976 639153605 /nfs/dbraw/zinc/15/36/05/639153605.db2.gz HIJYIKVVHVHWTF-UHFFFAOYSA-N 0 0 305.761 2.074 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)C(C)(C)C ZINC000805146634 639839535 /nfs/dbraw/zinc/83/95/35/639839535.db2.gz IWLWDBIIQXHWLH-CQSZACIVSA-N 0 0 323.414 2.108 10 30 DEEERN C#C[C@H](NS(=O)(=O)CCc1ccc(OC)cc1)C(C)(C)C ZINC000805148492 639848727 /nfs/dbraw/zinc/84/87/27/639848727.db2.gz DJPKAEWUENTSON-HNNXBMFYSA-N 0 0 309.431 2.205 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C#C)[C@H]1CCCO1 ZINC000805306726 640781268 /nfs/dbraw/zinc/78/12/68/640781268.db2.gz ZSRLGZKJKMVSOC-KZNAEPCWSA-N 0 0 310.397 2.101 10 30 DEEERN C=CCCO[C@H](C)C(=O)Nc1ccc(OCC)cc1C(N)=O ZINC000129284930 645265715 /nfs/dbraw/zinc/26/57/15/645265715.db2.gz OBBSRPJAYYJEFF-LLVKDONJSA-N 0 0 306.362 2.104 10 30 DEEERN C=CCCc1ccccc1NC(=O)Cn1cc([C@H](C)O)nn1 ZINC000800591887 645290785 /nfs/dbraw/zinc/29/07/85/645290785.db2.gz FSYKOSXSSJEHAO-LBPRGKRZSA-N 0 0 300.362 2.089 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](O)CC(C)C ZINC000800602562 645291661 /nfs/dbraw/zinc/29/16/61/645291661.db2.gz WEFJWWRESAXKHE-OAHLLOKOSA-N 0 0 318.417 2.267 10 30 DEEERN CCN1CC[C@H](/N=C\c2cc(Br)ccc2O)C1=O ZINC000801646638 645427053 /nfs/dbraw/zinc/42/70/53/645427053.db2.gz UUHMWIGAGBLBGO-LWHXSLQUSA-N 0 0 311.179 2.194 10 30 DEEERN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCc2ncsc2C1 ZINC000910846292 645568241 /nfs/dbraw/zinc/56/82/41/645568241.db2.gz UCHVHFCXGJWPRA-HUBLWGQQSA-N 0 0 306.431 2.488 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N1c2ccccc2C[C@H]1C ZINC000803697653 645681013 /nfs/dbraw/zinc/68/10/13/645681013.db2.gz MYBXXOCFADWABS-CQSZACIVSA-N 0 0 309.365 2.170 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C(=O)N1CCC[C@@H](C)C1)C(C)C ZINC000803697447 645681096 /nfs/dbraw/zinc/68/10/96/645681096.db2.gz FIOMLEBYJXHLIT-NVXWUHKLSA-N 0 0 317.429 2.476 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1nc(Cc2ccccc2)no1 ZINC000803698921 645681853 /nfs/dbraw/zinc/68/18/53/645681853.db2.gz IUPPMRQLLJFSBX-UHFFFAOYSA-N 0 0 308.337 2.366 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)Nc1ccc(OCC)cc1 ZINC000803700867 645682742 /nfs/dbraw/zinc/68/27/42/645682742.db2.gz BQMUKUZBUKPWLN-UHFFFAOYSA-N 0 0 313.353 2.230 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cc(=O)c(OC)co1 ZINC000804453868 645774032 /nfs/dbraw/zinc/77/40/32/645774032.db2.gz KLBNHSJHHWKOSN-CQSZACIVSA-N 0 0 311.337 2.013 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)C(C)(C)c1cnn(C)c1 ZINC000804457125 645774110 /nfs/dbraw/zinc/77/41/10/645774110.db2.gz PKKSBOGWMHZYGC-QGZVFWFLSA-N 0 0 309.413 2.449 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000806311831 645816594 /nfs/dbraw/zinc/81/65/94/645816594.db2.gz ISYYCQMPTWEPLL-UHFFFAOYSA-N 0 0 300.427 2.055 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cccc(CN2CCCC2=O)c1 ZINC000806433747 645831352 /nfs/dbraw/zinc/83/13/52/645831352.db2.gz PYCAKGHGDCTTSP-UHFFFAOYSA-N 0 0 308.381 2.410 10 30 DEEERN C#C[C@@H](N[C@H](C(=O)OC)c1cccc(C(=O)OC)c1)C(C)(C)C ZINC000806622296 645853591 /nfs/dbraw/zinc/85/35/91/645853591.db2.gz HRLIQIVQQLHPOA-CABCVRRESA-N 0 0 317.385 2.325 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccc(C)cc1N1CCOCC1 ZINC000807032791 645902047 /nfs/dbraw/zinc/90/20/47/645902047.db2.gz QPBCXXJPOFYARW-UHFFFAOYSA-N 0 0 324.424 2.111 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000807033923 645902120 /nfs/dbraw/zinc/90/21/20/645902120.db2.gz GBMWHKMPQPLQBD-PBHICJAKSA-N 0 0 311.381 2.316 10 30 DEEERN C#CC[C@H](NC(=O)CO[C@H](C)c1nccn1C)c1ccccc1 ZINC000807163005 645917580 /nfs/dbraw/zinc/91/75/80/645917580.db2.gz GXBZKVKOCYJBTC-ZBFHGGJFSA-N 0 0 311.385 2.379 10 30 DEEERN C#C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(C)(C)C ZINC000807882259 646004553 /nfs/dbraw/zinc/00/45/53/646004553.db2.gz YLOLJVRARNXLGQ-HOTGVXAUSA-N 0 0 312.413 2.455 10 30 DEEERN C#CCOCCC(=O)OCCCN1CCCc2ccccc21 ZINC000166731096 646532743 /nfs/dbraw/zinc/53/27/43/646532743.db2.gz XXUGDJJIXPZUJT-UHFFFAOYSA-N 0 0 301.386 2.412 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)c1ccccc1 ZINC000075696353 646668743 /nfs/dbraw/zinc/66/87/43/646668743.db2.gz HTMJYKVLWNOGJI-CJNGLKHVSA-N 0 0 310.353 2.175 10 30 DEEERN N#Cc1ccc(F)cc1Cn1cncc(Br)c1=O ZINC000230181226 646722263 /nfs/dbraw/zinc/72/22/63/646722263.db2.gz YIVKCOSFAGXWGQ-UHFFFAOYSA-N 0 0 308.110 2.065 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)NC[C@H](C)C(C)C)c1 ZINC000172478282 646738906 /nfs/dbraw/zinc/73/89/06/646738906.db2.gz ODTSPXDZQVYHMH-ZDUSSCGKSA-N 0 0 301.390 2.198 10 30 DEEERN N#Cc1ccccc1/C=C/C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000172535394 646742614 /nfs/dbraw/zinc/74/26/14/646742614.db2.gz DZTKABMHDSGKNH-VOTSOKGWSA-N 0 0 316.324 2.186 10 30 DEEERN CCN1CCN(c2ccc(C(=O)OCCCC#N)cc2F)CC1 ZINC000172628181 646745930 /nfs/dbraw/zinc/74/59/30/646745930.db2.gz FMEGIGHQRTZFRQ-UHFFFAOYSA-N 0 0 319.380 2.428 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2ccnc(Cl)c2)cc1 ZINC000173890213 646782452 /nfs/dbraw/zinc/78/24/52/646782452.db2.gz RQTSINQTHMAJCO-UHFFFAOYSA-N 0 0 301.733 2.415 10 30 DEEERN N#C[C@H](COC(=O)C[C@@H]1COC(=O)C1)Cc1ccc(F)cc1 ZINC000151960573 647060773 /nfs/dbraw/zinc/06/07/73/647060773.db2.gz RQXMIILSPHWWDS-CHWSQXEVSA-N 0 0 305.305 2.004 10 30 DEEERN C#C[C@H](OC(=O)[C@@H](C)CS(=O)(=O)c1ccc(F)cc1)C1CC1 ZINC000152447230 647166274 /nfs/dbraw/zinc/16/62/74/647166274.db2.gz YYTVGKQBKAPDKH-NHYWBVRUSA-N 0 0 324.373 2.191 10 30 DEEERN CC(=O)N[C@H](CC(=O)OCC1(CC#N)CC1)c1ccccc1 ZINC000174748637 647310546 /nfs/dbraw/zinc/31/05/46/647310546.db2.gz HAHMJZWDYAMZOG-OAHLLOKOSA-N 0 0 300.358 2.491 10 30 DEEERN C=CCNC(=S)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000731321651 647467141 /nfs/dbraw/zinc/46/71/41/647467141.db2.gz NBVFATGAUGVYEA-UHFFFAOYSA-N 0 0 309.479 2.208 10 30 DEEERN COc1ccccc1NC(=S)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732625447 647633076 /nfs/dbraw/zinc/63/30/76/647633076.db2.gz IOJPSMZRUUEVKT-ZDUSSCGKSA-N 0 0 316.430 2.064 10 30 DEEERN C[C@@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000732700973 647643495 /nfs/dbraw/zinc/64/34/95/647643495.db2.gz NDINUHKZGPMZQD-WMLDXEAASA-N 0 0 312.417 2.172 10 30 DEEERN C[C@H](NC(=O)C#Cc1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000153935679 647856516 /nfs/dbraw/zinc/85/65/16/647856516.db2.gz VYCRFPJSJCHAKX-HNNXBMFYSA-N 0 0 316.364 2.496 10 30 DEEERN COc1cccc(C(=O)NCc2ccc(OCC#N)cc2)c1O ZINC000170804124 648210857 /nfs/dbraw/zinc/21/08/57/648210857.db2.gz GPUOSQMEXHSMRX-UHFFFAOYSA-N 0 0 312.325 2.233 10 30 DEEERN C#C[C@@H](CCC)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000233294857 648336649 /nfs/dbraw/zinc/33/66/49/648336649.db2.gz OWOGBMIARCKKBT-JTQLQIEISA-N 0 0 311.794 2.068 10 30 DEEERN C#CCOc1ccc(C(=O)NCc2ccc(CO)c(F)c2)cc1 ZINC000175646998 648356441 /nfs/dbraw/zinc/35/64/41/648356441.db2.gz PUAMUPPHRHIXAA-UHFFFAOYSA-N 0 0 313.328 2.260 10 30 DEEERN C[C@H](C#N)CNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000182837599 648996561 /nfs/dbraw/zinc/99/65/61/648996561.db2.gz WOMOSVBZSDPENH-BMFZPTHFSA-N 0 0 301.390 2.444 10 30 DEEERN C#CCOCCC(=O)N1CCN(c2ccccc2)C[C@H]1CC ZINC000183609182 649118594 /nfs/dbraw/zinc/11/85/94/649118594.db2.gz BCILVUOJIYCUDM-MRXNPFEDSA-N 0 0 300.402 2.154 10 30 DEEERN N#CC1(COC(=O)c2ccc(-n3cccn3)cc2)CCOCC1 ZINC000183914549 649200372 /nfs/dbraw/zinc/20/03/72/649200372.db2.gz RNEDKEZSSKNFNN-UHFFFAOYSA-N 0 0 311.341 2.349 10 30 DEEERN CC(=O)Nc1cc(C(=O)OCC2(C#N)CCOCC2)ccc1F ZINC000183919804 649201104 /nfs/dbraw/zinc/20/11/04/649201104.db2.gz VSVPQKKBDFQNDT-UHFFFAOYSA-N 0 0 320.320 2.261 10 30 DEEERN CC(=NNCCS(C)(=O)=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000733203885 649452719 /nfs/dbraw/zinc/45/27/19/649452719.db2.gz CSNFCOHLCBBAPA-OLZOCXBDSA-N 0 0 314.838 2.454 10 30 DEEERN C#CCCCCCOC(=O)CNC(=O)Cc1cccc(F)c1 ZINC000185323647 649500147 /nfs/dbraw/zinc/50/01/47/649500147.db2.gz MOTRRWSQYWGVBG-UHFFFAOYSA-N 0 0 305.349 2.221 10 30 DEEERN C#CCC(C)(C)COC(=O)/C=C/c1cncc(C(=O)NC)c1 ZINC000185343235 649502612 /nfs/dbraw/zinc/50/26/12/649502612.db2.gz KGEQOWIOTLOPTF-VOTSOKGWSA-N 0 0 300.358 2.047 10 30 DEEERN C#CCCNC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000733356274 649553711 /nfs/dbraw/zinc/55/37/11/649553711.db2.gz IJXHCVOPTPAJKS-GFCCVEGCSA-N 0 0 301.173 2.349 10 30 DEEERN CC(C)CC[C@@](C)(O)CNC(=O)Cc1ccc(OCC#N)cc1 ZINC000075124749 683934571 /nfs/dbraw/zinc/93/45/71/683934571.db2.gz ACPMHINRASGOAG-GOSISDBHSA-N 0 0 318.417 2.435 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H](C)C(C)C ZINC000076334445 683942303 /nfs/dbraw/zinc/94/23/03/683942303.db2.gz NJQMERGYIZKFPN-LBPRGKRZSA-N 0 0 320.364 2.185 10 30 DEEERN C=CCCCOC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000083772730 683999315 /nfs/dbraw/zinc/99/93/15/683999315.db2.gz XZCUTSYATMPNOR-NSHDSACASA-N 0 0 315.366 2.002 10 30 DEEERN COCCOc1cccc(COC(=O)c2cc(C#N)cn2C)c1 ZINC000083972756 684000868 /nfs/dbraw/zinc/00/08/68/684000868.db2.gz ZPGUXDJERUGRJY-UHFFFAOYSA-N 0 0 314.341 2.279 10 30 DEEERN C=CCOc1ccccc1C(=O)OCc1nnc(CC)n1C ZINC000118616192 684072794 /nfs/dbraw/zinc/07/27/94/684072794.db2.gz GZRMWLPFCHMWBI-UHFFFAOYSA-N 0 0 301.346 2.299 10 30 DEEERN C=CCN(CC(=O)OCC)c1cc(C)nc(-c2cccnc2)n1 ZINC000120999144 684104200 /nfs/dbraw/zinc/10/42/00/684104200.db2.gz KHZCBWRSOXFMOG-UHFFFAOYSA-N 0 0 312.373 2.403 10 30 DEEERN Cn1cc(C#N)cc1C(=O)OCc1nnc(-c2ccccc2)n1C ZINC000124576897 684136577 /nfs/dbraw/zinc/13/65/77/684136577.db2.gz QPRJXZJVUFVRHB-UHFFFAOYSA-N 0 0 321.340 2.049 10 30 DEEERN COc1cccc(/C=N/[C@H]2CCCN(c3cnn(C)c3)C2)c1O ZINC000125202340 684143641 /nfs/dbraw/zinc/14/36/41/684143641.db2.gz YITXTZAVGLPFCA-RMNBPEERSA-N 0 0 314.389 2.222 10 30 DEEERN C=CCN(CC(=O)N[C@H](C)c1ccc(F)cc1)CC(=O)OCC ZINC000126159536 684151796 /nfs/dbraw/zinc/15/17/96/684151796.db2.gz PWOXOBIDERUZBX-CYBMUJFWSA-N 0 0 322.380 2.054 10 30 DEEERN N#Cc1ccsc1C(=O)Nc1cnc(Br)cn1 ZINC000133186877 684217458 /nfs/dbraw/zinc/21/74/58/684217458.db2.gz QLKPWTCZWKVZOM-UHFFFAOYSA-N 0 0 309.148 2.425 10 30 DEEERN N#C[C@H](C(=O)NC1CC1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000246005095 685121274 /nfs/dbraw/zinc/12/12/74/685121274.db2.gz FRSQDCAJDKXJKJ-UTUOFQBUSA-N 0 0 304.296 2.056 10 30 DEEERN Cc1nnc([C@H]2CCCN(C(=O)c3ccnc(C#N)c3)[C@H]2C)o1 ZINC000886084805 692000281 /nfs/dbraw/zinc/00/02/81/692000281.db2.gz IDGCXPBDTLPYPE-HZMBPMFUSA-N 0 0 311.345 2.053 10 30 DEEERN Cc1cccc(NC(=O)[C@H](C#N)C(=O)C=Cc2ccncn2)c1 ZINC000588539114 777373115 /nfs/dbraw/zinc/37/31/15/777373115.db2.gz IZWJIZVDRCMCQB-IYKSTZQJSA-N 0 0 306.325 2.146 10 30 DEEERN C#CC[C@@H](COC)Nc1ncc([N+](=O)[O-])cc1Br ZINC000716327625 792952868 /nfs/dbraw/zinc/95/28/68/792952868.db2.gz DBQRIPKSGXXWAV-QMMMGPOBSA-N 0 0 314.139 2.203 10 30 DEEERN C#CC[C@@H](COC)NC(=O)/C=C/c1ccc(Br)o1 ZINC000716823510 793008695 /nfs/dbraw/zinc/00/86/95/793008695.db2.gz ZZBOGTSDJUJWCN-PCGIRMHASA-N 0 0 312.163 2.210 10 30 DEEERN C#CC[C@@H](COC)NC(=O)c1cccc(F)c1Br ZINC000716847856 793010052 /nfs/dbraw/zinc/01/00/52/793010052.db2.gz QCGUYDPXVKYKEJ-VIFPVBQESA-N 0 0 314.154 2.356 10 30 DEEERN C#CC[C@H](COC)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000716886421 793020511 /nfs/dbraw/zinc/02/05/11/793020511.db2.gz DXTAUJPETUAFGB-SNVBAGLBSA-N 0 0 322.213 2.310 10 30 DEEERN CCCCOC(=O)CNC(=O)c1cccc(SCC#N)c1 ZINC000079891495 1080904400 /nfs/dbraw/zinc/90/44/00/1080904400.db2.gz QUCYLUQJSGXQSU-UHFFFAOYSA-N 0 0 306.387 2.375 10 30 DEEERN CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(C#N)c(F)c2)CO1 ZINC000703358535 1086494125 /nfs/dbraw/zinc/49/41/25/1086494125.db2.gz TWXFZHUCFWSXQK-ZDUSSCGKSA-N 0 0 321.352 2.338 10 30 DEEERN N#Cc1c(F)cccc1S(=O)(=O)NCC[C@@H]1CC1(F)F ZINC000706490122 1086639551 /nfs/dbraw/zinc/63/95/51/1086639551.db2.gz VYWKEOWDEFLBAK-MRVPVSSYSA-N 0 0 304.293 2.021 10 30 DEEERN C#CC1(O)CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000708101816 1086676823 /nfs/dbraw/zinc/67/68/23/1086676823.db2.gz KOLBWBOGTYBRDV-UHFFFAOYSA-N 0 0 319.202 2.281 10 30 DEEERN C#CC1(O)CCN(C(=O)c2ccc(Br)s2)CC1 ZINC000708153521 1086677117 /nfs/dbraw/zinc/67/71/17/1086677117.db2.gz VJPIEJBKVKVVBN-UHFFFAOYSA-N 0 0 314.204 2.111 10 30 DEEERN N#Cc1ccc(N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(Cl)c1 ZINC000708837345 1086679069 /nfs/dbraw/zinc/67/90/69/1086679069.db2.gz VOSVGKGXJUKPGC-NEPJUHHUSA-N 0 0 310.806 2.368 10 30 DEEERN CC1(C)CC[C@H](CNS(=O)(=O)c2ccc(C#N)s2)OC1 ZINC000711222454 1087025456 /nfs/dbraw/zinc/02/54/56/1087025456.db2.gz FREYMZXMEDOJNN-SNVBAGLBSA-N 0 0 314.432 2.103 10 30 DEEERN N#Cc1ccc(NC(=O)[C@@H]2NC(=O)O[C@@H]2c2ccccc2)cc1 ZINC000074695064 185009811 /nfs/dbraw/zinc/00/98/11/185009811.db2.gz YXEHRBZENOBNKQ-HUUCEWRRSA-N 0 0 307.309 2.346 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000278294994 214072925 /nfs/dbraw/zinc/07/29/25/214072925.db2.gz RSRMASPGXPPYEV-GDBMZVCRSA-N 0 0 312.373 2.246 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1Cc2ccccc2N(C)C(=O)C1 ZINC000624814410 365558949 /nfs/dbraw/zinc/55/89/49/365558949.db2.gz CZIKSNUQPVOKEA-UHFFFAOYSA-N 0 0 323.400 2.325 10 30 DEEERN C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C[C@H](C)O)C1CC1 ZINC000624843642 365568402 /nfs/dbraw/zinc/56/84/02/365568402.db2.gz RUMKISRURIUQKU-OBJOEFQTSA-N 0 0 306.410 2.054 10 30 DEEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC000624846765 365569375 /nfs/dbraw/zinc/56/93/75/365569375.db2.gz SEQQOXDSJOAOII-CQSZACIVSA-N 0 0 316.409 2.106 10 30 DEEERN COc1ccsc1C(=O)Nc1ccc(C#CCO)c(F)c1 ZINC000162167959 197549575 /nfs/dbraw/zinc/54/95/75/197549575.db2.gz BFEVXBKGHHNIAO-UHFFFAOYSA-N 0 0 305.330 2.492 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cccc(C(=O)OC)c1C ZINC000076853830 185047298 /nfs/dbraw/zinc/04/72/98/185047298.db2.gz BYKMEQNADZUCLU-UHFFFAOYSA-N 0 0 311.403 2.368 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000076854439 185047316 /nfs/dbraw/zinc/04/73/16/185047316.db2.gz HGACWHSPZVCYFV-UHFFFAOYSA-N 0 0 311.403 2.435 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(CNC(C)=O)cc1 ZINC000278430759 214147725 /nfs/dbraw/zinc/14/77/25/214147725.db2.gz ZDRBCMUHHFGIKZ-HZPDHXFCSA-N 0 0 302.374 2.242 10 30 DEEERN C[C@]1(NC(=O)NCc2ccc(C#N)cc2F)CCO[C@H]1C1CC1 ZINC000612371755 361806364 /nfs/dbraw/zinc/80/63/64/361806364.db2.gz PAFHHIVFNMPRCL-RDJZCZTQSA-N 0 0 317.364 2.454 10 30 DEEERN C=CC[C@H](C)NS(=O)(=O)C[C@@H](Cc1ccc(F)cc1)OC ZINC000624973525 365602886 /nfs/dbraw/zinc/60/28/86/365602886.db2.gz HAWZMJYECWAVNC-SWLSCSKDSA-N 0 0 315.410 2.267 10 30 DEEERN C=C(C)Cn1c(CC(C)(C)C)nnc1N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000624979071 365605861 /nfs/dbraw/zinc/60/58/61/365605861.db2.gz QFHUORJDMBJLPP-BETUJISGSA-N 0 0 319.453 2.143 10 30 DEEERN C=CCOc1cccc(NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000163099447 197611628 /nfs/dbraw/zinc/61/16/28/197611628.db2.gz GVOONEQVWJJFDR-CHWSQXEVSA-N 0 0 317.389 2.417 10 30 DEEERN Cc1ncc(Br)c(=O)n1Cc1cc(F)cc(C#N)c1 ZINC000163411569 197629756 /nfs/dbraw/zinc/62/97/56/197629756.db2.gz KXLFJHVOVWQYCT-UHFFFAOYSA-N 0 0 322.137 2.373 10 30 DEEERN Cc1ccccc1N1CCN(c2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000302725023 230822383 /nfs/dbraw/zinc/82/23/83/230822383.db2.gz NDPVPBIIIRIURB-UHFFFAOYSA-N 0 0 323.356 2.497 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H](OC)C1(CC)CC ZINC000612526347 361852506 /nfs/dbraw/zinc/85/25/06/361852506.db2.gz MPYISKVCCBDVFI-KKUMJFAQSA-N 0 0 310.438 2.167 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)CC(=O)c1cccs1 ZINC000612828838 361925979 /nfs/dbraw/zinc/92/59/79/361925979.db2.gz VHQISCRBMVIUFV-AAEUAGOBSA-N 0 0 322.430 2.297 10 30 DEEERN C=CCN(CCOC)c1nnc([C@]2(C)CCCO2)n1CC1CC1 ZINC000612944878 361958385 /nfs/dbraw/zinc/95/83/85/361958385.db2.gz HWCPKGBJLGLWDW-KRWDZBQOSA-N 0 0 320.437 2.353 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)OCC(=O)Nc1cccc(C)c1 ZINC000278714205 214347194 /nfs/dbraw/zinc/34/71/94/214347194.db2.gz LEAOUIDWEJWJPV-GDBMZVCRSA-N 0 0 303.358 2.458 10 30 DEEERN C=CCNC(=O)[C@H](C)NCc1sccc1Br ZINC000082265243 185174660 /nfs/dbraw/zinc/17/46/60/185174660.db2.gz ZTGNFTHSUPTBNB-QMMMGPOBSA-N 0 0 303.225 2.291 10 30 DEEERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1sccc1C#N ZINC000088198016 185241775 /nfs/dbraw/zinc/24/17/75/185241775.db2.gz AVLPBPLKAJMJOB-JTQLQIEISA-N 0 0 301.375 2.039 10 30 DEEERN Cc1nnc(CN2CCO[C@H](c3cccc(C#N)c3)C2)n1C1CC1 ZINC000328920580 231386997 /nfs/dbraw/zinc/38/69/97/231386997.db2.gz SZLBCKQSTPIRCC-KRWDZBQOSA-N 0 0 323.400 2.367 10 30 DEEERN CC[C@@H](C#N)S(=O)(=O)NCc1ccccc1Br ZINC000088474209 185252226 /nfs/dbraw/zinc/25/22/26/185252226.db2.gz OYKSQYRRSPFVCE-JTQLQIEISA-N 0 0 317.208 2.171 10 30 DEEERN CCc1ccc(CCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000370971688 529625633 /nfs/dbraw/zinc/62/56/33/529625633.db2.gz FNIOQFCGPKUDOX-GOSISDBHSA-N 0 0 311.429 2.380 10 30 DEEERN C=CCN(CC=C)S(=O)(=O)c1cc(Cl)cc(CO)c1F ZINC000088873503 185267656 /nfs/dbraw/zinc/26/76/56/185267656.db2.gz VRYSJUVSQYXEBD-UHFFFAOYSA-N 0 0 319.785 2.334 10 30 DEEERN C#CCOCCC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000090002210 185276207 /nfs/dbraw/zinc/27/62/07/185276207.db2.gz RGWFLIJBDZNVGA-RDJZCZTQSA-N 0 0 320.820 2.241 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc2c(C)n[nH]c2c1 ZINC000613201461 362037352 /nfs/dbraw/zinc/03/73/52/362037352.db2.gz MGYDGRHGWJNXFJ-OAHLLOKOSA-N 0 0 300.362 2.281 10 30 DEEERN C=C[C@](C)(O)C(=O)NCc1ccc(Br)cc1OC ZINC000613666991 362175879 /nfs/dbraw/zinc/17/58/79/362175879.db2.gz UOJIJVCZOKOAMQ-ZDUSSCGKSA-N 0 0 314.179 2.011 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000613668937 362176169 /nfs/dbraw/zinc/17/61/69/362176169.db2.gz DSYZNIJJARHFNK-XHDPSFHLSA-N 0 0 304.394 2.264 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CC1(O)CCCCCC1 ZINC000613682755 362179679 /nfs/dbraw/zinc/17/96/79/362179679.db2.gz BTGUTVJZGKRFIT-OAHLLOKOSA-N 0 0 310.438 2.001 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000625349909 365742159 /nfs/dbraw/zinc/74/21/59/365742159.db2.gz GNDOLULNEZYCOP-ZDUSSCGKSA-N 0 0 323.414 2.435 10 30 DEEERN COC(=O)N[C@H]1CCN(c2cccc(Br)c2C#N)C1 ZINC000168591334 197725821 /nfs/dbraw/zinc/72/58/21/197725821.db2.gz PXKIOWWDSAPNMJ-VIFPVBQESA-N 0 0 324.178 2.255 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@H](C)c1ccccn1 ZINC000625447136 365790119 /nfs/dbraw/zinc/79/01/19/365790119.db2.gz YKHKGVCPXTYTQG-CYBMUJFWSA-N 0 0 303.406 2.320 10 30 DEEERN C=CC[C@H]1N(C(=O)CN2CCN(C3CC3)C2=O)CCCC1(C)C ZINC000614054134 362273129 /nfs/dbraw/zinc/27/31/29/362273129.db2.gz BVFDPWHTMDYTOI-OAHLLOKOSA-N 0 0 319.449 2.480 10 30 DEEERN C=CCCOCCCCC(=O)N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC000614094780 362282150 /nfs/dbraw/zinc/28/21/50/362282150.db2.gz UZAJTDLHBOOPHP-HOTGVXAUSA-N 0 0 312.429 2.394 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000614188775 362312532 /nfs/dbraw/zinc/31/25/32/362312532.db2.gz OESVQAUGXXXSNN-ARFHVFGLSA-N 0 0 304.365 2.269 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000614244788 362327288 /nfs/dbraw/zinc/32/72/88/362327288.db2.gz MUMLFMSEYLKBAK-USWWRNFRSA-N 0 0 306.328 2.257 10 30 DEEERN COc1ccccc1-c1csc2nc(NC(=O)CC#N)nn12 ZINC000170515394 197778092 /nfs/dbraw/zinc/77/80/92/197778092.db2.gz VGBNLYNAHXQWMF-UHFFFAOYSA-N 0 0 313.342 2.319 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc2c(cn1)CCCC2 ZINC000615114486 362536632 /nfs/dbraw/zinc/53/66/32/362536632.db2.gz HFUPCZOKJTVTCX-OAHLLOKOSA-N 0 0 301.390 2.370 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC=C(c2ccccn2)C1 ZINC000615272974 362572633 /nfs/dbraw/zinc/57/26/33/362572633.db2.gz AOZWKJCCVCMRHR-KRWDZBQOSA-N 0 0 313.401 2.168 10 30 DEEERN N#C[C@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)C1CC1 ZINC000108841409 185535727 /nfs/dbraw/zinc/53/57/27/185535727.db2.gz RGYMSMQOSWDWLV-HNNXBMFYSA-N 0 0 324.384 2.477 10 30 DEEERN COc1ccc([C@@H](C)NC(=O)C2(C#N)CCOCC2)cc1F ZINC000109138642 185553579 /nfs/dbraw/zinc/55/35/79/185553579.db2.gz RWMXURWPKFLSIT-LLVKDONJSA-N 0 0 306.337 2.332 10 30 DEEERN C=C[C@H](O)C(=O)NC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000615467076 362614040 /nfs/dbraw/zinc/61/40/40/362614040.db2.gz QFHWPLLZUITHOI-NSHDSACASA-N 0 0 301.264 2.237 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCc2ccccc2CC1 ZINC000625493538 365805943 /nfs/dbraw/zinc/80/59/43/365805943.db2.gz OEUCSQFLYJHWLN-UHFFFAOYSA-N 0 0 314.429 2.332 10 30 DEEERN Cc1sccc1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000615743301 362696034 /nfs/dbraw/zinc/69/60/34/362696034.db2.gz IIINTNKDCGJWFO-OAHLLOKOSA-N 0 0 305.447 2.291 10 30 DEEERN C=CC(C)(C)CNC(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC000615831689 362711848 /nfs/dbraw/zinc/71/18/48/362711848.db2.gz QJZAGWZYVNLCSS-QWRGUYRKSA-N 0 0 309.328 2.299 10 30 DEEERN Cc1sc(NC(=O)CN2CCO[C@H](C)[C@H]2C)c(C#N)c1C ZINC000247016020 282473845 /nfs/dbraw/zinc/47/38/45/282473845.db2.gz QECGOXLGOVBVQR-GHMZBOCLSA-N 0 0 307.419 2.284 10 30 DEEERN C=C(CC)CNC(=O)CN1CC[C@@H](c2ccccc2)NC1=O ZINC000616116838 362775714 /nfs/dbraw/zinc/77/57/14/362775714.db2.gz WHINSEIBRLRBNZ-HNNXBMFYSA-N 0 0 301.390 2.225 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CC12CCSCC2 ZINC000616364438 362836496 /nfs/dbraw/zinc/83/64/96/362836496.db2.gz HTOHGPDCNJVXMS-ZIAGYGMSSA-N 0 0 310.463 2.107 10 30 DEEERN CS(=O)(=O)N1c2ccccc2NC[C@H]1c1ccc(C#N)cc1 ZINC000616684809 362908690 /nfs/dbraw/zinc/90/86/90/362908690.db2.gz OPOLLBVPQWVSAP-INIZCTEOSA-N 0 0 313.382 2.491 10 30 DEEERN N#Cc1cnc(N[C@H]2CCN(c3ncccc3Cl)C2)cn1 ZINC000126980257 185909489 /nfs/dbraw/zinc/90/94/89/185909489.db2.gz YCSAOCDZAIERID-JTQLQIEISA-N 0 0 300.753 2.087 10 30 DEEERN O=C(NCc1cc(C#CCO)cs1)c1c(F)cccc1F ZINC000071321920 190957806 /nfs/dbraw/zinc/95/78/06/190957806.db2.gz LBBDXQZUGTUQIO-UHFFFAOYSA-N 0 0 307.321 2.300 10 30 DEEERN CC[C@H](C)S(=O)(=O)CCCC(=O)Nc1ccc(C#N)cc1 ZINC000084251663 192416507 /nfs/dbraw/zinc/41/65/07/192416507.db2.gz PPRPCVRBNAAKRX-LBPRGKRZSA-N 0 0 308.403 2.490 10 30 DEEERN COc1ccc2c(c1)[C@H](C#N)N(CCc1c(C)nn(C)c1C)C2=O ZINC000071678563 191005664 /nfs/dbraw/zinc/00/56/64/191005664.db2.gz GZDVAFSCVLNFLZ-KRWDZBQOSA-N 0 0 324.384 2.309 10 30 DEEERN Cc1ccc(C(=O)N2CCS[C@H](C)[C@H]2C)cc1C#CCO ZINC000133649390 186003451 /nfs/dbraw/zinc/00/34/51/186003451.db2.gz ADZLJASDJZITKA-ZIAGYGMSSA-N 0 0 303.427 2.305 10 30 DEEERN Cc1cc(C(=O)N2CCS[C@@H](C)[C@@H]2C)sc1C#CCO ZINC000133643467 186002736 /nfs/dbraw/zinc/00/27/36/186002736.db2.gz JCGUQADFUWHHBL-RYUDHWBXSA-N 0 0 309.456 2.366 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)CCC ZINC000245841956 539758738 /nfs/dbraw/zinc/75/87/38/539758738.db2.gz JZRHJQJXIUKXFY-ZIAGYGMSSA-N 0 0 316.467 2.052 10 30 DEEERN CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ncc[nH]1 ZINC000139681651 186023220 /nfs/dbraw/zinc/02/32/20/186023220.db2.gz ZWQWDRMNSISIDY-NSHDSACASA-N 0 0 324.793 2.364 10 30 DEEERN CC1(C)CCC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2N)C1 ZINC000149233628 186048665 /nfs/dbraw/zinc/04/86/65/186048665.db2.gz ZAWVNFQHEQZJKD-GFCCVEGCSA-N 0 0 307.419 2.388 10 30 DEEERN C[C@@H]1CCC[C@@H](C)N1NC(=O)c1sccc1C#CCCO ZINC000149856065 186053071 /nfs/dbraw/zinc/05/30/71/186053071.db2.gz ABQFRSUNKCIDBW-CHWSQXEVSA-N 0 0 306.431 2.390 10 30 DEEERN C[C@@H]1CN(C)C[C@H](C)N1C(=O)CSc1ccc(C#N)cc1 ZINC000155759961 186110091 /nfs/dbraw/zinc/11/00/91/186110091.db2.gz DRDOBVGQUCEVAG-BETUJISGSA-N 0 0 303.431 2.201 10 30 DEEERN C#C[C@H](C)NC(=O)N[C@H](CC(=O)OCC)c1ccccc1C ZINC000186058615 186236866 /nfs/dbraw/zinc/23/68/66/186236866.db2.gz HFBVFBNBWYXUTR-DZGCQCFKSA-N 0 0 302.374 2.310 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000617036058 363006711 /nfs/dbraw/zinc/00/67/11/363006711.db2.gz YEUVZFJGUYSWPE-SWLSCSKDSA-N 0 0 322.430 2.199 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cn(C2CCOCC2)nn1 ZINC000617044505 363007699 /nfs/dbraw/zinc/00/76/99/363007699.db2.gz OUDKWFVDUPMCLB-ZFWWWQNUSA-N 0 0 318.421 2.494 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cncc2c1CCCC2 ZINC000617099221 363023712 /nfs/dbraw/zinc/02/37/12/363023712.db2.gz SBHFSEAYDCFWQW-HNNXBMFYSA-N 0 0 301.390 2.370 10 30 DEEERN C=CCOc1ccccc1C(=O)NC[C@H](OC)[C@@H]1CCOC1 ZINC000617148333 363037829 /nfs/dbraw/zinc/03/78/29/363037829.db2.gz PZIWVLZFBRKTTB-CJNGLKHVSA-N 0 0 305.374 2.033 10 30 DEEERN C=CCCC1(CNC(=O)Cc2nc3ncccn3n2)CCCC1 ZINC000617416605 363127707 /nfs/dbraw/zinc/12/77/07/363127707.db2.gz YGZMXPUEDXBLMD-UHFFFAOYSA-N 0 0 313.405 2.310 10 30 DEEERN CN(C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1)[C@H]1CCOC1 ZINC000329274950 539916843 /nfs/dbraw/zinc/91/68/43/539916843.db2.gz KPGVUDMFLCLTMX-OLZOCXBDSA-N 0 0 320.437 2.130 10 30 DEEERN O=C(NCCc1ccc2c(c1)CCO2)N1CC2(C1)CCCOC2 ZINC000329300619 539917076 /nfs/dbraw/zinc/91/70/76/539917076.db2.gz VRRFWOSFQTZECT-UHFFFAOYSA-N 0 0 316.401 2.190 10 30 DEEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1ncn(C2CCCCC2)n1 ZINC000332898983 539943096 /nfs/dbraw/zinc/94/30/96/539943096.db2.gz MYLIMMNILYDEGJ-DGCLKSJQSA-N 0 0 302.382 2.597 10 30 DEEERN N#C[C@H]1CCC[C@H]1NC(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000332884564 539942617 /nfs/dbraw/zinc/94/26/17/539942617.db2.gz FOROSLKNGHJIQV-CHWSQXEVSA-N 0 0 313.357 2.262 10 30 DEEERN Cc1nc([C@@H]2CCCN2C(=O)NCCc2ccn(C)n2)cs1 ZINC000330179658 539935287 /nfs/dbraw/zinc/93/52/87/539935287.db2.gz FMHGVXFESOYNGF-AWEZNQCLSA-N 0 0 319.434 2.479 10 30 DEEERN C=CCCO[C@H](C)C(=O)Nc1cc2c(cc1C(=O)OC)OCO2 ZINC000277116410 213304072 /nfs/dbraw/zinc/30/40/72/213304072.db2.gz RZGGMCSSPCBELE-SNVBAGLBSA-N 0 0 321.329 2.122 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NCCCCC)cc2C1=O ZINC000017322209 354041346 /nfs/dbraw/zinc/04/13/46/354041346.db2.gz ZVPHTGYAMPQPRJ-UHFFFAOYSA-N 0 0 300.358 2.389 10 30 DEEERN Cc1ccc(OCCN(C)CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000011475629 354021317 /nfs/dbraw/zinc/02/13/17/354021317.db2.gz YPQZSPWCAOEDSB-SFHVURJKSA-N 0 0 315.417 2.114 10 30 DEEERN CCOC(=O)N1CCc2c(C#N)c(NC(=O)C3CC3)sc2C1 ZINC000004281022 181092261 /nfs/dbraw/zinc/09/22/61/181092261.db2.gz MMWKLNCVVLUPLC-UHFFFAOYSA-N 0 0 319.386 2.483 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H](C)C3CC3)cc2C1=O ZINC000073786242 354982108 /nfs/dbraw/zinc/98/21/08/354982108.db2.gz FYLOHYUYVYTNBA-NSHDSACASA-N 0 0 312.369 2.339 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H](C)CC)cc2C1=O ZINC000075506974 355089431 /nfs/dbraw/zinc/08/94/31/355089431.db2.gz COEIGPLTSHPVHO-LLVKDONJSA-N 0 0 300.358 2.339 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(N2CCCC2)nn1 ZINC000077041481 355180785 /nfs/dbraw/zinc/18/07/85/355180785.db2.gz DSKXQKLKJHMQFY-UHFFFAOYSA-N 0 0 314.311 2.267 10 30 DEEERN CC[C@H](C)C(C)N=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000004964495 181180681 /nfs/dbraw/zinc/18/06/81/181180681.db2.gz GZUFRBNITNPUQW-UEFOHQGUSA-N 0 0 314.367 2.076 10 30 DEEERN C=CCSCCNC(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000085400733 355493322 /nfs/dbraw/zinc/49/33/22/355493322.db2.gz DNAFYTXGGXRHSX-UHFFFAOYSA-N 0 0 317.414 2.247 10 30 DEEERN N#Cc1nc(Nc2ccc3n[nH]c(C(N)=O)c3c2)ccc1Cl ZINC000089651864 355539766 /nfs/dbraw/zinc/53/97/66/355539766.db2.gz JGCCHZSAWQQAJN-UHFFFAOYSA-N 0 0 312.720 2.325 10 30 DEEERN Cc1cc(N2CC[C@H](Nc3cc(C#N)ccc3C)C2=O)n(C)n1 ZINC000177173146 198680555 /nfs/dbraw/zinc/68/05/55/198680555.db2.gz NDFFHFOHDOOSAZ-AWEZNQCLSA-N 0 0 309.373 2.126 10 30 DEEERN CC(C)Oc1cccc(C(=O)N2CCN(CCC#N)CC2)c1 ZINC000078526992 191878771 /nfs/dbraw/zinc/87/87/71/191878771.db2.gz WMCFFSDNIRPUMH-UHFFFAOYSA-N 0 0 301.390 2.145 10 30 DEEERN CCOC(=O)C[C@@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180607031 356054586 /nfs/dbraw/zinc/05/45/86/356054586.db2.gz ZPALTITUOMZXIQ-GFCCVEGCSA-N 0 0 300.358 2.313 10 30 DEEERN N#C[C@@H](C1CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000079857546 191978965 /nfs/dbraw/zinc/97/89/65/191978965.db2.gz SCSFGLOOXBRLAW-NSHDSACASA-N 0 0 305.131 2.347 10 30 DEEERN C[C@@H](C#N)CNC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000182867827 356149342 /nfs/dbraw/zinc/14/93/42/356149342.db2.gz JVSBIWDKCLZYOW-AAEUAGOBSA-N 0 0 301.346 2.421 10 30 DEEERN CC[C@H](NS(=O)(=O)c1ccc(N)cc1C#N)c1nccs1 ZINC000080256351 192017614 /nfs/dbraw/zinc/01/76/14/192017614.db2.gz YZWQHHJVRSXWJB-NSHDSACASA-N 0 0 322.415 2.027 10 30 DEEERN N#Cc1ccc(I)nc1OC(F)(F)F ZINC000238546718 356303947 /nfs/dbraw/zinc/30/39/47/356303947.db2.gz NPEZSZWECXTXJL-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN C#CCOC(=O)Nc1ccc(I)cc1 ZINC000306606781 356404468 /nfs/dbraw/zinc/40/44/68/356404468.db2.gz SAILHFBHJZMIQZ-UHFFFAOYSA-N 0 0 301.083 2.473 10 30 DEEERN COC(=O)c1ccc(I)c(F)c1C#N ZINC000306604466 356404806 /nfs/dbraw/zinc/40/48/06/356404806.db2.gz OEPOCFFJRGNRRA-UHFFFAOYSA-N 0 0 305.046 2.089 10 30 DEEERN N#C[C@]1(c2ncncc2I)CCCS1 ZINC000307659006 356409212 /nfs/dbraw/zinc/40/92/12/356409212.db2.gz CDEBZGRFPOFBKK-VIFPVBQESA-N 0 0 317.155 2.327 10 30 DEEERN N#C[C@@]1(c2ncncc2I)CCCS1 ZINC000307659000 356409583 /nfs/dbraw/zinc/40/95/83/356409583.db2.gz CDEBZGRFPOFBKK-SECBINFHSA-N 0 0 317.155 2.327 10 30 DEEERN CC(=O)N(C[C@@H]1CCCN1C(=O)Nc1ccc(C)nc1)C1CC1 ZINC000328629785 356464232 /nfs/dbraw/zinc/46/42/32/356464232.db2.gz IQTKYRLNCGYZKV-INIZCTEOSA-N 0 0 316.405 2.411 10 30 DEEERN CCN1CCN(C(=O)Nc2cncc(C)c2)C[C@H]1c1ncc[nH]1 ZINC000328622491 356461688 /nfs/dbraw/zinc/46/16/88/356461688.db2.gz IKNUNNISUILLHZ-AWEZNQCLSA-N 0 0 314.393 2.037 10 30 DEEERN CC(=O)N(C[C@H]1CCCN1C(=O)Nc1cncc(C)c1)C1CC1 ZINC000328623960 356463004 /nfs/dbraw/zinc/46/30/04/356463004.db2.gz CFAMHHYRLDQHJN-MRXNPFEDSA-N 0 0 316.405 2.411 10 30 DEEERN Cc1nnc([C@H]2CN(C(=O)Nc3cc(C)cc(C)n3)CCO2)o1 ZINC000328628343 356464213 /nfs/dbraw/zinc/46/42/13/356464213.db2.gz NQLXCSDEHITQDD-GFCCVEGCSA-N 0 0 317.349 2.009 10 30 DEEERN O=C(NC[C@@H]1C[C@H](F)CN1Cc1nccs1)c1ccccn1 ZINC000328655409 356466611 /nfs/dbraw/zinc/46/66/11/356466611.db2.gz YJBLFNUCCDTUGF-RYUDHWBXSA-N 0 0 320.393 2.455 10 30 DEEERN O=C(NC[C@@H]1C[C@H](F)CN1Cc1cncnc1)C1=COCCC1 ZINC000328652345 356466636 /nfs/dbraw/zinc/46/66/36/356466636.db2.gz WJMLRPFCNWJZRK-GJZGRUSLSA-N 0 0 320.368 2.040 10 30 DEEERN C=CCN(CCOC)C(=O)c1cn(C)nc1-c1ccc(C)o1 ZINC000626638012 366252988 /nfs/dbraw/zinc/25/29/88/366252988.db2.gz HONQKMUUZNOEDL-UHFFFAOYSA-N 0 0 303.362 2.263 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000081547881 192287871 /nfs/dbraw/zinc/28/78/71/192287871.db2.gz QZMNYWDMWWKELZ-OAHLLOKOSA-N 0 0 311.341 2.317 10 30 DEEERN CCO[C@H]1C[C@H](NC(=O)c2cc(C#N)cn2C)C12CCCC2 ZINC000081550524 192289825 /nfs/dbraw/zinc/28/98/25/192289825.db2.gz YFRLDIHPKGRVKH-GJZGRUSLSA-N 0 0 301.390 2.364 10 30 DEEERN C=CCOCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000618513387 363512755 /nfs/dbraw/zinc/51/27/55/363512755.db2.gz AEEWPDHYYMNDEY-INIZCTEOSA-N 0 0 316.401 2.000 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000618517739 363513768 /nfs/dbraw/zinc/51/37/68/363513768.db2.gz OMCIXNBVWSXLSU-UHFFFAOYSA-N 0 0 316.401 2.132 10 30 DEEERN C=CCOCCCNC(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000618516538 363513986 /nfs/dbraw/zinc/51/39/86/363513986.db2.gz AONAYZGROGYJAS-UHFFFAOYSA-N 0 0 320.414 2.443 10 30 DEEERN C=CCOCCCNC(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000618523790 363515699 /nfs/dbraw/zinc/51/56/99/363515699.db2.gz QACFCVLMFKJXKL-UHFFFAOYSA-N 0 0 317.364 2.263 10 30 DEEERN C=CCOCCCNC(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000618523682 363515832 /nfs/dbraw/zinc/51/58/32/363515832.db2.gz MSVMOVSXNGFPGH-UHFFFAOYSA-N 0 0 316.401 2.287 10 30 DEEERN CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C#N)cc1N ZINC000085916525 192539915 /nfs/dbraw/zinc/53/99/15/192539915.db2.gz LABDDVCXCLBXKS-UHFFFAOYSA-N 0 0 309.435 2.443 10 30 DEEERN N#CC1(S(=O)(=O)c2ccc(F)cc2)CC2(C1)CCOCC2 ZINC000086539915 192581068 /nfs/dbraw/zinc/58/10/68/192581068.db2.gz HZAATMGIUIOQGS-UHFFFAOYSA-N 0 0 309.362 2.452 10 30 DEEERN N#Cc1ccccc1OCC1(CS(N)(=O)=O)CCCCC1 ZINC000086537656 192581095 /nfs/dbraw/zinc/58/10/95/192581095.db2.gz HMCLNAQXCXISEM-UHFFFAOYSA-N 0 0 308.403 2.176 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1cnc(-c2ccncc2)s1 ZINC000579197116 356935954 /nfs/dbraw/zinc/93/59/54/356935954.db2.gz FPQYMVBARHCWKO-NEPJUHHUSA-N 0 0 301.371 2.278 10 30 DEEERN C=CCCCCCNC(=O)N1CCC(Cn2cncn2)CC1 ZINC000579608233 357004222 /nfs/dbraw/zinc/00/42/22/357004222.db2.gz MLXHYKBWXLAAMQ-UHFFFAOYSA-N 0 0 305.426 2.446 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](CC)c1c(C)nn(C)c1C ZINC000580875940 357093074 /nfs/dbraw/zinc/09/30/74/357093074.db2.gz HSOSXMFAOFHSNZ-MCIONIFRSA-N 0 0 306.410 2.131 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1CCC(C)C ZINC000581217281 357149376 /nfs/dbraw/zinc/14/93/76/357149376.db2.gz CCRKDYUWEBWRDQ-HNNXBMFYSA-N 0 0 318.417 2.267 10 30 DEEERN C=CCNC(=O)Nc1ccc(NC[C@H](O)C(F)(F)F)cc1 ZINC000581067207 357125659 /nfs/dbraw/zinc/12/56/59/357125659.db2.gz ZPJXFFOYLURZNZ-NSHDSACASA-N 0 0 303.284 2.329 10 30 DEEERN COc1cc(C#N)ccc1OCc1nnc([C@H]2CCCOC2)o1 ZINC000587750150 357382548 /nfs/dbraw/zinc/38/25/48/357382548.db2.gz XUSXIOQCNNGXNH-LBPRGKRZSA-N 0 0 315.329 2.423 10 30 DEEERN Cc1ccc2ncc(C#N)c(N[C@@H]3CC(=O)N([C@H]4C[C@@H]4C)C3)c2c1 ZINC000589863874 357502347 /nfs/dbraw/zinc/50/23/47/357502347.db2.gz JTQLKWDKJZBQRN-QEORTHHSSA-N 0 0 320.396 2.258 10 30 DEEERN C=CCN(CCOC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589513034 357476542 /nfs/dbraw/zinc/47/65/42/357476542.db2.gz ZTACTEXWXMIQJO-UHFFFAOYSA-N 0 0 308.334 2.016 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000178659347 198905827 /nfs/dbraw/zinc/90/58/27/198905827.db2.gz FZQBCRZXDHNFJT-AWEZNQCLSA-N 0 0 323.400 2.326 10 30 DEEERN C=CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC000591613374 357743212 /nfs/dbraw/zinc/74/32/12/357743212.db2.gz PIMCFFUVXPJFNH-PBHICJAKSA-N 0 0 315.421 2.488 10 30 DEEERN C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 ZINC000591649754 357748389 /nfs/dbraw/zinc/74/83/89/357748389.db2.gz NPPOQBZKXFHGBF-CZUORRHYSA-N 0 0 319.384 2.190 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592084964 357825894 /nfs/dbraw/zinc/82/58/94/357825894.db2.gz QSULWNNSNSFMAQ-UHFFFAOYSA-N 0 0 317.451 2.336 10 30 DEEERN C=CCCCN(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000179595294 199061524 /nfs/dbraw/zinc/06/15/24/199061524.db2.gz NDXAXRXIVYPBJU-UHFFFAOYSA-N 0 0 304.393 2.462 10 30 DEEERN CC(=O)N(C)c1ccc(NC(=O)NCC2(C#N)CCCC2)cn1 ZINC000593223820 358035604 /nfs/dbraw/zinc/03/56/04/358035604.db2.gz CPGNREYXYLRAJW-UHFFFAOYSA-N 0 0 315.377 2.270 10 30 DEEERN C=CCN1CC[C@H](N[C@H](C(=O)OCC)C2CCCCCC2)C1=O ZINC000594046621 358196546 /nfs/dbraw/zinc/19/65/46/358196546.db2.gz AKQKVNLGUBOKNZ-HOTGVXAUSA-N 0 0 322.449 2.265 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N[C@@H](C(=O)OCC)C1CCCCCC1 ZINC000594407634 358259753 /nfs/dbraw/zinc/25/97/53/358259753.db2.gz CZRPMDOEPZJMDK-NVXWUHKLSA-N 0 0 311.422 2.332 10 30 DEEERN C=CCCn1cc(CSCCC(=O)N2CCCCC2)nn1 ZINC000594565912 358294973 /nfs/dbraw/zinc/29/49/73/358294973.db2.gz RPMPNYREEMKRQM-UHFFFAOYSA-N 0 0 308.451 2.490 10 30 DEEERN C=CCCn1cc(CSCc2nnc3n2CCCC3)nn1 ZINC000594567305 358295684 /nfs/dbraw/zinc/29/56/84/358295684.db2.gz WJGDTYXQABPNDR-UHFFFAOYSA-N 0 0 304.423 2.215 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000594789557 358337314 /nfs/dbraw/zinc/33/73/14/358337314.db2.gz NHJKOBOODNBOOP-DOMZBBRYSA-N 0 0 305.403 2.366 10 30 DEEERN C=CCN(CCC#N)C(=O)C(=O)Nc1cc(C)c(C)cc1OC ZINC000595026962 358380512 /nfs/dbraw/zinc/38/05/12/358380512.db2.gz DHPRNFWUICEESE-UHFFFAOYSA-N 0 0 315.373 2.179 10 30 DEEERN C=CCC[C@@H](O)CN(C)[C@H](C(=O)OC)c1cccc(OC)c1 ZINC000595676458 358519611 /nfs/dbraw/zinc/51/96/11/358519611.db2.gz GDIQADHUBRGNCC-ZBFHGGJFSA-N 0 0 307.390 2.168 10 30 DEEERN C[C@]1(C#N)CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000595368015 358433327 /nfs/dbraw/zinc/43/33/27/358433327.db2.gz VNVRTRQOVDMTPE-CYBMUJFWSA-N 0 0 309.778 2.136 10 30 DEEERN C=CCOCCCNC(=O)N[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000595768356 358544531 /nfs/dbraw/zinc/54/45/31/358544531.db2.gz ZDOQKMVRPWBTSH-WHEQGISXSA-N 0 0 324.446 2.377 10 30 DEEERN C=C(C)Cc1cccc(C(=O)OC)c1OC[C@@H]1COCCO1 ZINC000596288540 358660549 /nfs/dbraw/zinc/66/05/49/358660549.db2.gz KZCIZPOUGKFGGR-AWEZNQCLSA-N 0 0 306.358 2.386 10 30 DEEERN C=CCCCCCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596299987 358662974 /nfs/dbraw/zinc/66/29/74/358662974.db2.gz RICYURYQVYGIGD-UHFFFAOYSA-N 0 0 313.379 2.401 10 30 DEEERN C=CCOc1ccc(CN2CCC[C@]2(COC)C(=O)OC)cc1 ZINC000597221845 358859014 /nfs/dbraw/zinc/85/90/14/358859014.db2.gz UIUQGAPKKCCVRK-SFHVURJKSA-N 0 0 319.401 2.405 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C1(C(=O)OC)CC2(CCC2)C1 ZINC000597608176 358962137 /nfs/dbraw/zinc/96/21/37/358962137.db2.gz ACGQHYAHZZWTPQ-UONOGXRCSA-N 0 0 321.417 2.207 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](SC)C(C)(C)C ZINC000597493726 358932367 /nfs/dbraw/zinc/93/23/67/358932367.db2.gz DEYSZILGYGWGLN-CHWSQXEVSA-N 0 0 300.468 2.351 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000627428168 366522850 /nfs/dbraw/zinc/52/28/50/366522850.db2.gz XXUGWSUIAXIOID-OAHLLOKOSA-N 0 0 315.417 2.091 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1ccc(Br)c(F)c1 ZINC000185807066 199889722 /nfs/dbraw/zinc/88/97/22/199889722.db2.gz MYPZWYCFOBRQKN-SNVBAGLBSA-N 0 0 316.170 2.184 10 30 DEEERN C=CCC(C)(C)C(=O)N1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000598149275 359108309 /nfs/dbraw/zinc/10/83/09/359108309.db2.gz FBWWFSMQJQKEAH-FZKQIMNGSA-N 0 0 323.433 2.405 10 30 DEEERN C=CCCSCCNC(=O)c1cccc(-n2cncn2)c1 ZINC000597967851 359053940 /nfs/dbraw/zinc/05/39/40/359053940.db2.gz HNLVBANLDQXUAD-UHFFFAOYSA-N 0 0 302.403 2.306 10 30 DEEERN CC(=O)N[C@H](C(=O)NCC1(C#N)CCCCC1)C1CCCC1 ZINC000598301692 359156850 /nfs/dbraw/zinc/15/68/50/359156850.db2.gz QNJNHKIASOVDMR-HNNXBMFYSA-N 0 0 305.422 2.272 10 30 DEEERN CC#CCCCC(=O)NC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000598526972 359231680 /nfs/dbraw/zinc/23/16/80/359231680.db2.gz KDCHYSCEYXWRBB-UHFFFAOYSA-N 0 0 309.406 2.187 10 30 DEEERN C=C[C@H](CC(=O)N1CCO[C@@]2(CCOC2)C1)c1ccccc1 ZINC000186088682 199915236 /nfs/dbraw/zinc/91/52/36/199915236.db2.gz MKGLGFRRIHZGHY-QAPCUYQASA-N 0 0 301.386 2.364 10 30 DEEERN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C(F)F)C1CCCCC1 ZINC000598648185 359276062 /nfs/dbraw/zinc/27/60/62/359276062.db2.gz FFCCTMYIXCMILZ-CMPLNLGQSA-N 0 0 317.380 2.190 10 30 DEEERN C=CCCn1cc(CN[C@@]2(C(=O)OC)CCCC(C)(C)C2)nn1 ZINC000599556565 359524805 /nfs/dbraw/zinc/52/48/05/359524805.db2.gz MTLIPBLDEKGKFO-KRWDZBQOSA-N 0 0 320.437 2.456 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2C(=O)OC)C1 ZINC000599375369 359482506 /nfs/dbraw/zinc/48/25/06/359482506.db2.gz TYBOMDJLVVXDMQ-ZDUSSCGKSA-N 0 0 323.414 2.368 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2ncc(C(=O)OCC)n2C)C1 ZINC000599787468 359598899 /nfs/dbraw/zinc/59/88/99/359598899.db2.gz UONFYKRCKDUJQG-NSHDSACASA-N 0 0 306.366 2.027 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000187911824 200175517 /nfs/dbraw/zinc/17/55/17/200175517.db2.gz DLXDJNWPDWRNHP-YJBOKZPZSA-N 0 0 302.418 2.404 10 30 DEEERN C=CC[C@H](C(=O)NC[C@H](C)N1CCOCC1)c1ccccc1 ZINC000188195138 200207484 /nfs/dbraw/zinc/20/74/84/200207484.db2.gz DYFCOURJOAXULR-RDJZCZTQSA-N 0 0 302.418 2.183 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H](C)c2ccc([S@@](C)=O)cc2)C1=O ZINC000601069060 359911812 /nfs/dbraw/zinc/91/18/12/359911812.db2.gz RHWDSHSFJCDXLR-GSCBBHAMSA-N 0 0 320.414 2.372 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2-c2ccccc2)C1 ZINC000627734078 366603360 /nfs/dbraw/zinc/60/33/60/366603360.db2.gz KHMCFXKKSPLGBU-CQSZACIVSA-N 0 0 324.384 2.235 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccnc(OC(C)C)c2)C1 ZINC000627733945 366603742 /nfs/dbraw/zinc/60/37/42/366603742.db2.gz ICWRXSXLSZJWTH-CYBMUJFWSA-N 0 0 317.389 2.232 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)CCCC3)C1 ZINC000627734493 366604763 /nfs/dbraw/zinc/60/47/63/366604763.db2.gz VBPYBHJVKKOWND-CYBMUJFWSA-N 0 0 313.401 2.324 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cnn([C@@H](C)C3CC3)c2)C1 ZINC000627734559 366604935 /nfs/dbraw/zinc/60/49/35/366604935.db2.gz WSJHABHIDHYOLC-QWHCGFSZSA-N 0 0 316.405 2.217 10 30 DEEERN C=C(C)C[C@@H](Nc1ncc(Br)cn1)C(=O)OC ZINC000601227012 359973688 /nfs/dbraw/zinc/97/36/88/359973688.db2.gz KQMXTOHRLWESOQ-SECBINFHSA-N 0 0 300.156 2.159 10 30 DEEERN C=CC[C@H](CC)NC(=O)c1cc(C(=O)OC(C)(C)C)nn1C ZINC000601546533 360068581 /nfs/dbraw/zinc/06/85/81/360068581.db2.gz MODQSJOQBXTHLV-NSHDSACASA-N 0 0 307.394 2.460 10 30 DEEERN C=CC[C@@H](CC)NC(=O)c1cc(C(=O)OC(C)(C)C)nn1C ZINC000601546528 360068934 /nfs/dbraw/zinc/06/89/34/360068934.db2.gz MODQSJOQBXTHLV-LLVKDONJSA-N 0 0 307.394 2.460 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cn(C)c2ccccc12)C(=O)OC ZINC000601770960 360140411 /nfs/dbraw/zinc/14/04/11/360140411.db2.gz GBQOIYGZYDNRNK-CQSZACIVSA-N 0 0 300.358 2.416 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCOc1ccccc1OC)C(=O)OC ZINC000601771001 360140521 /nfs/dbraw/zinc/14/05/21/360140521.db2.gz HALRJLBKYRSTSC-CYBMUJFWSA-N 0 0 321.373 2.088 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)OC ZINC000601771894 360140530 /nfs/dbraw/zinc/14/05/30/360140530.db2.gz MHCMOAPBFKLFAP-GFCCVEGCSA-N 0 0 306.318 2.141 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H]1CCc2ccc(OC)cc21)C(=O)OC ZINC000601781732 360145487 /nfs/dbraw/zinc/14/54/87/360145487.db2.gz LCADCZVTKZTQBP-HOCLYGCPSA-N 0 0 317.385 2.349 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CSc1ccc(O)cc1)C(=O)OC ZINC000601780978 360145924 /nfs/dbraw/zinc/14/59/24/360145924.db2.gz GKNMACGAHCOCKP-CYBMUJFWSA-N 0 0 309.387 2.108 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H]1CCCc2cccnc21)C(=O)OC ZINC000601783938 360147440 /nfs/dbraw/zinc/14/74/40/360147440.db2.gz YOUZXAVOVVBAAI-KBPBESRZSA-N 0 0 302.374 2.126 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cnn2cccc(Cl)c12)C(=O)OC ZINC000601784746 360147510 /nfs/dbraw/zinc/14/75/10/360147510.db2.gz MKHHJBDHPQRUTP-GFCCVEGCSA-N 0 0 321.764 2.225 10 30 DEEERN C=C(C)C[C@H](NC(=O)CNc1cccc(Cl)c1)C(=O)OC ZINC000601784296 360147619 /nfs/dbraw/zinc/14/76/19/360147619.db2.gz CKLJCWDXZQCTKK-ZDUSSCGKSA-N 0 0 310.781 2.376 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(CCCCC)n[nH]1)C(=O)OC ZINC000601783621 360147686 /nfs/dbraw/zinc/14/76/86/360147686.db2.gz CIGWNRNKFPQLPR-CQSZACIVSA-N 0 0 307.394 2.380 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cnn(CCC(C)C)c1C)C(=O)OC ZINC000601783515 360148057 /nfs/dbraw/zinc/14/80/57/360148057.db2.gz XBQXRSADCCOOQK-OAHLLOKOSA-N 0 0 321.421 2.475 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H]1CCOc2ccccc21)C(=O)OC ZINC000601785158 360148383 /nfs/dbraw/zinc/14/83/83/360148383.db2.gz JZFBFEJQTZXHOO-UONOGXRCSA-N 0 0 303.358 2.177 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H](OC)c1cccc(OC)c1)C(=O)OC ZINC000601785237 360148744 /nfs/dbraw/zinc/14/87/44/360148744.db2.gz RGMCRDSLDCIZKH-LSDHHAIUSA-N 0 0 321.373 2.007 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1)C(=O)OC ZINC000601785212 360148851 /nfs/dbraw/zinc/14/88/51/360148851.db2.gz QPMYEGTVWXFSEE-XHSDSOJGSA-N 0 0 317.385 2.423 10 30 DEEERN C=C(C)C[C@H](NC(=O)C[C@H]1CCO[C@@H](C(C)C)C1)C(=O)OC ZINC000601786214 360149412 /nfs/dbraw/zinc/14/94/12/360149412.db2.gz GHVMBDOZWNSFRF-SOUVJXGZSA-N 0 0 311.422 2.452 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1[nH]c(C)c(C(C)=O)c1CC)C(=O)OC ZINC000601787042 360149459 /nfs/dbraw/zinc/14/94/59/360149459.db2.gz WTFIIKZCRVRXSX-ZDUSSCGKSA-N 0 0 320.389 2.326 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cc(C(=O)OC(C)(C)C)nn2C)C1 ZINC000601680762 360111664 /nfs/dbraw/zinc/11/16/64/360111664.db2.gz WATIVZAQLZBBRU-LBPRGKRZSA-N 0 0 319.405 2.414 10 30 DEEERN CC(=O)N1CCc2cc(C(=O)N(C)[C@H]3CCC[C@@H]3C#N)ccc21 ZINC000601812470 360158554 /nfs/dbraw/zinc/15/85/54/360158554.db2.gz FNUILJCUBKQZCR-CVEARBPZSA-N 0 0 311.385 2.360 10 30 DEEERN C=CCn1c(SC[C@@H](O)CC2(C#N)CC2)nnc1C1CC1 ZINC000601952028 360206239 /nfs/dbraw/zinc/20/62/39/360206239.db2.gz ADZAJYCFYXICPH-LBPRGKRZSA-N 0 0 304.419 2.488 10 30 DEEERN C=CCN(CCC#N)C(=O)C[C@H](n1ccnc1)C(F)(F)F ZINC000602154437 360289949 /nfs/dbraw/zinc/28/99/49/360289949.db2.gz SKBLWOBFHUTKTJ-NSHDSACASA-N 0 0 300.284 2.305 10 30 DEEERN C=CCC[C@@H](NC(=O)c1ocnc1C(F)(F)F)C(=O)OCC ZINC000602160823 360291901 /nfs/dbraw/zinc/29/19/01/360291901.db2.gz NKWMQZUIRMYGIR-MRVPVSSYSA-N 0 0 320.267 2.321 10 30 DEEERN CC#CC[C@H](CO)NC(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000627976972 366681806 /nfs/dbraw/zinc/68/18/06/366681806.db2.gz DEORXQQCGKTUQH-SLBVQIDZSA-N 0 0 303.789 2.116 10 30 DEEERN CC#CC[C@H](CO)NC(=O)c1cccc(Nc2nccc(C)n2)c1 ZINC000627977301 366681842 /nfs/dbraw/zinc/68/18/42/366681842.db2.gz MIGOFVDWJPRYLY-MRXNPFEDSA-N 0 0 324.384 2.033 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)Nc1ccccc1CCSC ZINC000603084091 360694016 /nfs/dbraw/zinc/69/40/16/360694016.db2.gz HTLIBWZUFIMIIX-AWEZNQCLSA-N 0 0 306.431 2.488 10 30 DEEERN C=CCC1(C(=O)N[C@@H](C)c2nc(C(=O)OCC)n[nH]2)CCCC1 ZINC000603154374 360725342 /nfs/dbraw/zinc/72/53/42/360725342.db2.gz LZBYQHBHCHLJGC-NSHDSACASA-N 0 0 320.393 2.295 10 30 DEEERN N#Cc1ccc(CNC(=O)Cn2ncc3ccccc32)c(F)c1 ZINC000609327327 361301168 /nfs/dbraw/zinc/30/11/68/361301168.db2.gz RPIIQZMHJQGOIP-UHFFFAOYSA-N 0 0 308.316 2.363 10 30 DEEERN C=CCN(C(=O)[C@H]1COc2cc(F)ccc2C1)[C@H](C)COC ZINC000628054738 366706052 /nfs/dbraw/zinc/70/60/52/366706052.db2.gz BTRQPJTWJWYWLG-TZMCWYRMSA-N 0 0 307.365 2.426 10 30 DEEERN CCN(CC)C(=O)[C@H]1CCCN1c1ncc(C#N)cc1Cl ZINC000609632270 361331732 /nfs/dbraw/zinc/33/17/32/361331732.db2.gz MJDCBSKHEGGGHI-CYBMUJFWSA-N 0 0 306.797 2.444 10 30 DEEERN CC[C@H]1CN(Cc2ccc(OC)c(C#N)c2)C[C@]2(CCOC2)O1 ZINC000619434183 363792898 /nfs/dbraw/zinc/79/28/98/363792898.db2.gz MDNXNSJYARAIQQ-WMZOPIPTSA-N 0 0 316.401 2.337 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000628317516 366807905 /nfs/dbraw/zinc/80/79/05/366807905.db2.gz NBNVLVVHXSYQEN-AWEZNQCLSA-N 0 0 315.417 2.149 10 30 DEEERN COCCN(CCC#N)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000610540774 361419084 /nfs/dbraw/zinc/41/90/84/361419084.db2.gz KIXDEMYQJYASFC-UHFFFAOYSA-N 0 0 317.393 2.076 10 30 DEEERN CCOc1cccc(CCNC(=O)c2sccc2C#N)n1 ZINC000610760522 361461828 /nfs/dbraw/zinc/46/18/28/361461828.db2.gz RCCIBYKXYOUFPW-UHFFFAOYSA-N 0 0 301.371 2.386 10 30 DEEERN C[C@H](NC(=O)N1CCSC[C@H]1CCO)c1cccc(C#N)c1 ZINC000611396286 361590790 /nfs/dbraw/zinc/59/07/90/361590790.db2.gz YLSREAOKHOYBQM-SWLSCSKDSA-N 0 0 319.430 2.129 10 30 DEEERN Cc1ccncc1[C@H](C)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000611292035 361573759 /nfs/dbraw/zinc/57/37/59/361573759.db2.gz IWCSAEXVPLCQNA-NSHDSACASA-N 0 0 319.361 2.440 10 30 DEEERN C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)Cc1cccc(C#N)c1 ZINC000611508977 361618110 /nfs/dbraw/zinc/61/81/10/361618110.db2.gz WHNGPCHABCUKES-KBXCAEBGSA-N 0 0 308.381 2.382 10 30 DEEERN Cc1onc(CC(=O)N2CC(Cc3cccc(C)c3)C2)c1C#N ZINC000611529150 361624890 /nfs/dbraw/zinc/62/48/90/361624890.db2.gz ZOEZRDNGUZIXFU-UHFFFAOYSA-N 0 0 309.369 2.407 10 30 DEEERN O=C(N[C@H]1CCOc2ccccc21)N1CCc2cncnc2C1 ZINC000329282861 283709713 /nfs/dbraw/zinc/70/97/13/283709713.db2.gz NCSSKOCLUQDBJJ-AWEZNQCLSA-N 0 0 310.357 2.273 10 30 DEEERN C=CCOCCN[C@@H](C(=O)OC)c1c(F)cccc1Cl ZINC000612052177 361731030 /nfs/dbraw/zinc/73/10/30/361731030.db2.gz RSKYVQJCTROAIN-CYBMUJFWSA-N 0 0 301.745 2.485 10 30 DEEERN Cc1ccc(CCCNC(=O)[C@@H](C)n2cnc(C#N)n2)c(C)c1 ZINC000619584864 363834053 /nfs/dbraw/zinc/83/40/53/363834053.db2.gz XHQHOURVIKSXPJ-CQSZACIVSA-N 0 0 311.389 2.077 10 30 DEEERN N#CC1CCC(CNC(=O)NCCc2ccc(CO)cc2)CC1 ZINC000619659445 363850152 /nfs/dbraw/zinc/85/01/52/363850152.db2.gz QZWKNBPRFZJAJK-UHFFFAOYSA-N 0 0 315.417 2.351 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000620313802 364014387 /nfs/dbraw/zinc/01/43/87/364014387.db2.gz DKHULFPZXVJIJQ-BETUJISGSA-N 0 0 310.353 2.236 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnc2sccc2c1=O ZINC000620317329 364014854 /nfs/dbraw/zinc/01/48/54/364014854.db2.gz MGCAWBFAOKSROM-TXEJJXNPSA-N 0 0 315.398 2.168 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000620314857 364015036 /nfs/dbraw/zinc/01/50/36/364015036.db2.gz SQTVHMVGXULDNF-SOUVJXGZSA-N 0 0 314.385 2.338 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCc2ccccc2C1=O ZINC000620303774 364012997 /nfs/dbraw/zinc/01/29/97/364012997.db2.gz DFSFLSZTUUAZTO-IYBDPMFKSA-N 0 0 310.397 2.395 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)OCC ZINC000620399188 364035161 /nfs/dbraw/zinc/03/51/61/364035161.db2.gz HRNSKAKOBRDNFJ-HUUCEWRRSA-N 0 0 310.438 2.121 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](OCCC(C)C)C1 ZINC000621233743 364312525 /nfs/dbraw/zinc/31/25/25/364312525.db2.gz KRYVZIBBNMGOFD-CVEARBPZSA-N 0 0 310.438 2.121 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000628491595 366865301 /nfs/dbraw/zinc/86/53/01/366865301.db2.gz CCNDFPVPDZOYOZ-UKRRQHHQSA-N 0 0 319.426 2.372 10 30 DEEERN C=CC[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)C1 ZINC000628487401 366865337 /nfs/dbraw/zinc/86/53/37/366865337.db2.gz DVFVBYMCYYQIPK-JKSUJKDBSA-N 0 0 321.465 2.489 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cnc3c(c2)NC(=O)CS3)C1 ZINC000628489809 366865352 /nfs/dbraw/zinc/86/53/52/366865352.db2.gz HTFGQGWYXXAIBK-JTQLQIEISA-N 0 0 303.387 2.164 10 30 DEEERN C=C(C)COCCNC(=O)N1CCc2nc(C(C)C)ncc2C1 ZINC000623180998 364908482 /nfs/dbraw/zinc/90/84/82/364908482.db2.gz KECLKHJEMRCVBU-UHFFFAOYSA-N 0 0 318.421 2.260 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000275374256 212296148 /nfs/dbraw/zinc/29/61/48/212296148.db2.gz LHJJXQUMGRFFKP-DLBZAZTESA-N 0 0 324.384 2.250 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2nncn2-c2ccccc2)C1 ZINC000623473110 365042718 /nfs/dbraw/zinc/04/27/18/365042718.db2.gz JSOOAEASKRYUAZ-CQSZACIVSA-N 0 0 311.389 2.375 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000623481296 365046035 /nfs/dbraw/zinc/04/60/35/365046035.db2.gz ZDCCAJCVTXGNLH-CQSZACIVSA-N 0 0 317.437 2.347 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCCC(=O)N2CCCCCC2)C1 ZINC000623529426 365064371 /nfs/dbraw/zinc/06/43/71/365064371.db2.gz HREISUWFHZQPOT-OAHLLOKOSA-N 0 0 307.438 2.387 10 30 DEEERN C=C[C@@H](C)NC(=O)NC[C@@H]1CCN1Cc1ccc(OC)cc1 ZINC000623746419 365159867 /nfs/dbraw/zinc/15/98/67/365159867.db2.gz DMBJHPALPJYUKZ-HIFRSBDPSA-N 0 0 303.406 2.143 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000623770579 365168420 /nfs/dbraw/zinc/16/84/20/365168420.db2.gz OOKIBOYAMHUSBH-GDBMZVCRSA-N 0 0 319.449 2.385 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@H](c1cccc(C)c1)C(C)C ZINC000623861982 365203111 /nfs/dbraw/zinc/20/31/11/365203111.db2.gz IGWYCXIBVZSTFT-INIZCTEOSA-N 0 0 303.406 2.294 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000624241451 365348296 /nfs/dbraw/zinc/34/82/96/365348296.db2.gz JXKWPIPDCLJCGT-XIRDDKMYSA-N 0 0 316.401 2.018 10 30 DEEERN C=CCc1cc(CN2CCO[C@](C)(COC)C2)cc(OC)c1O ZINC000628496943 366867871 /nfs/dbraw/zinc/86/78/71/366867871.db2.gz CGEXWQVUYUHTHA-SFHVURJKSA-N 0 0 321.417 2.367 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2ccc(CNC(C)=O)cc2)C1 ZINC000624330788 365384329 /nfs/dbraw/zinc/38/43/29/365384329.db2.gz FIGMXVWVNMJIOY-QGZVFWFLSA-N 0 0 315.417 2.430 10 30 DEEERN COc1ccc([C@@H](O)[C@]2(C#N)CCOC2)cc1Br ZINC000091879897 193122016 /nfs/dbraw/zinc/12/20/16/193122016.db2.gz NCGYIWGVSQCPFH-OLZOCXBDSA-N 0 0 312.163 2.421 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000624463037 365429712 /nfs/dbraw/zinc/42/97/12/365429712.db2.gz OUFSGZILAOJTMH-CYBMUJFWSA-N 0 0 316.467 2.055 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@H](CO)C[C@H](O)C(C)(C)C ZINC000624463715 365429815 /nfs/dbraw/zinc/42/98/15/365429815.db2.gz UTZRISHCIXRBGG-STQMWFEESA-N 0 0 300.443 2.046 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC2(CCN(C)C2=O)CC1 ZINC000624463707 365429934 /nfs/dbraw/zinc/42/99/34/365429934.db2.gz UQDOOAUJPJIUAA-UHFFFAOYSA-N 0 0 307.438 2.243 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000624468815 365431416 /nfs/dbraw/zinc/43/14/16/365431416.db2.gz XTCGMYQSDOIDTL-UHFFFAOYSA-N 0 0 319.405 2.349 10 30 DEEERN C=CCC[C@H](C(=O)NC[C@H](O)[C@H]1CCCO1)c1ccccc1 ZINC000628594821 366892239 /nfs/dbraw/zinc/89/22/39/366892239.db2.gz VJNMSQBPYOTRGG-YESZJQIVSA-N 0 0 303.402 2.393 10 30 DEEERN C=C(C)CN(C)C(=O)NC[C@H]1CCN1Cc1ccc(OC)cc1 ZINC000624586430 365481629 /nfs/dbraw/zinc/48/16/29/365481629.db2.gz QOICYWBWBWOPIW-MRXNPFEDSA-N 0 0 317.433 2.487 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000449841861 241151782 /nfs/dbraw/zinc/15/17/82/241151782.db2.gz LHKSIWNDQMXUIX-UHFFFAOYSA-N 0 0 317.389 2.091 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc(-n2nnnc2C)cc1F ZINC000449899020 241227228 /nfs/dbraw/zinc/22/72/28/241227228.db2.gz GGEAOJQJDNNHJL-UHFFFAOYSA-N 0 0 303.341 2.148 10 30 DEEERN C=C[C@](C)(O)CC(=O)N[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000628769557 366964267 /nfs/dbraw/zinc/96/42/67/366964267.db2.gz MJBNXVANZLPHTK-ZBFHGGJFSA-N 0 0 303.337 2.082 10 30 DEEERN CC(=O)CCC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 ZINC000628988148 367038247 /nfs/dbraw/zinc/03/82/47/367038247.db2.gz NQVYWPZCIYGAPH-UHFFFAOYSA-N 0 0 300.358 2.049 10 30 DEEERN CC(=O)CCCC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 ZINC000628988140 367038439 /nfs/dbraw/zinc/03/84/39/367038439.db2.gz NCBKULVTBRFQBX-UHFFFAOYSA-N 0 0 314.385 2.439 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000629125989 367089641 /nfs/dbraw/zinc/08/96/41/367089641.db2.gz ZPCXPKCJHKXLKP-DOTOQJQBSA-N 0 0 301.386 2.478 10 30 DEEERN C=CCn1cc(C(=O)NCc2ccccc2CC(F)(F)F)nn1 ZINC000629806675 367337230 /nfs/dbraw/zinc/33/72/30/367337230.db2.gz MHDCPXYILJNADW-UHFFFAOYSA-N 0 0 324.306 2.499 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C1(Cc2ccccc2)CCOCC1 ZINC000450844580 242298576 /nfs/dbraw/zinc/29/85/76/242298576.db2.gz LFWIWMBXFZJZKH-INIZCTEOSA-N 0 0 303.402 2.079 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1cc(Br)ccc1C ZINC000450843375 242298887 /nfs/dbraw/zinc/29/88/87/242298887.db2.gz IEIGCBJGOYPIFL-CYBMUJFWSA-N 0 0 312.207 2.353 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cccc3c2OCCC3=O)C1=O ZINC000630515121 367701007 /nfs/dbraw/zinc/70/10/07/367701007.db2.gz CEKNLVBESNFGSH-LLVKDONJSA-N 0 0 300.314 2.043 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cccc(OCC(F)F)n2)C1=O ZINC000630518839 367703450 /nfs/dbraw/zinc/70/34/50/367703450.db2.gz FMQILFPGORLVRT-SECBINFHSA-N 0 0 311.288 2.117 10 30 DEEERN C[C@H](NS(=O)(=O)c1ccc(CC#N)cc1)c1cccnc1 ZINC000092131153 193166204 /nfs/dbraw/zinc/16/62/04/193166204.db2.gz SIKKWAXVMNUYPA-LBPRGKRZSA-N 0 0 301.371 2.187 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2COc3cc(F)cc(F)c32)C1=O ZINC000630979792 367948359 /nfs/dbraw/zinc/94/83/59/367948359.db2.gz VXPAYKRROWALOO-WDEREUQCSA-N 0 0 308.284 2.285 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2CCO[C@H]2c2ccccc2)C1=O ZINC000630984367 367950491 /nfs/dbraw/zinc/95/04/91/367950491.db2.gz CAAMRXXDKQZAFG-ZNMIVQPWSA-N 0 0 300.358 2.403 10 30 DEEERN C=C1CC(C)(C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000631259948 368108449 /nfs/dbraw/zinc/10/84/49/368108449.db2.gz GTYVQULSSSHTJC-ZDUSSCGKSA-N 0 0 302.349 2.404 10 30 DEEERN CC(=O)C[C@H]1CCCCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000093474633 193256975 /nfs/dbraw/zinc/25/69/75/193256975.db2.gz AOJLYPFAMFECBQ-CQSZACIVSA-N 0 0 306.387 2.081 10 30 DEEERN CC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1C#N ZINC000093474822 193257686 /nfs/dbraw/zinc/25/76/86/193257686.db2.gz JDJKHZBDMTYMRN-AWEZNQCLSA-N 0 0 306.387 2.081 10 30 DEEERN CN[C@]1(C#N)CCC[C@H]1CCSc1nnc(N(C)C)s1 ZINC000093581563 193269790 /nfs/dbraw/zinc/26/97/90/193269790.db2.gz HAFIMPSFSUQFOE-GWCFXTLKSA-N 0 0 311.480 2.368 10 30 DEEERN N#C[C@]1(NC2CC2)CC[C@@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093806747 193309297 /nfs/dbraw/zinc/30/92/97/193309297.db2.gz QMVURXTYBXIPEQ-YGRLFVJLSA-N 0 0 300.391 2.012 10 30 DEEERN CN(C)c1nnc(S[C@@H]2CC[C@@](C#N)(NC3CC3)C2)s1 ZINC000093822064 193313150 /nfs/dbraw/zinc/31/31/50/193313150.db2.gz NWBVKCNGFOECHN-ZWNOBZJWSA-N 0 0 309.464 2.263 10 30 DEEERN COCc1ccccc1NC(=O)c1csc(C#CCO)c1 ZINC000093974467 193332775 /nfs/dbraw/zinc/33/27/75/193332775.db2.gz WYVNZXSDSXBKMF-UHFFFAOYSA-N 0 0 301.367 2.491 10 30 DEEERN N#Cc1c(F)cccc1NC(=O)c1csc(C#CCO)c1 ZINC000093973963 193333207 /nfs/dbraw/zinc/33/32/07/193333207.db2.gz BMJNYECPLQVDMB-UHFFFAOYSA-N 0 0 300.314 2.355 10 30 DEEERN CC1(C)CCCC[C@H]1NS(=O)(=O)c1ccc(N)cc1C#N ZINC000094322114 193359130 /nfs/dbraw/zinc/35/91/30/193359130.db2.gz BKGITRQYCYPOJU-CQSZACIVSA-N 0 0 307.419 2.388 10 30 DEEERN Cc1cc(N)c(C)c(S(=O)(=O)N(CCC#N)CC(C)C)c1 ZINC000094358423 193364022 /nfs/dbraw/zinc/36/40/22/193364022.db2.gz LTDSIYDVKWHSAG-UHFFFAOYSA-N 0 0 309.435 2.446 10 30 DEEERN CCN(C[C@H](C)C#N)c1nc(Br)cn2ccnc12 ZINC000094489454 193373726 /nfs/dbraw/zinc/37/37/26/193373726.db2.gz RODZWWGLNYFTBK-SECBINFHSA-N 0 0 308.183 2.478 10 30 DEEERN Cc1cc(C(=O)N2CCSC[C@H]2C)sc1C#CCCO ZINC000094535508 193377350 /nfs/dbraw/zinc/37/73/50/193377350.db2.gz BXVISSXCOQDLDL-GFCCVEGCSA-N 0 0 309.456 2.368 10 30 DEEERN Cc1cc(C(=O)N2C[C@@H](C)S[C@@H](C)C2)sc1C#CCO ZINC000094535528 193377593 /nfs/dbraw/zinc/37/75/93/193377593.db2.gz WHDAZOLFTJMYKD-TXEJJXNPSA-N 0 0 309.456 2.366 10 30 DEEERN CCC(CC)N(CCO)C(=O)c1cc(C)c(C#CCO)s1 ZINC000094534773 193377650 /nfs/dbraw/zinc/37/76/50/193377650.db2.gz UTEUFUIADJRWGT-UHFFFAOYSA-N 0 0 309.431 2.023 10 30 DEEERN C=CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@]2(CCOC2)C1 ZINC000453430540 245135171 /nfs/dbraw/zinc/13/51/71/245135171.db2.gz DCQVGWPTUHLWHO-QGZVFWFLSA-N 0 0 313.405 2.466 10 30 DEEERN C=CCOc1ccc(C(=O)NC[C@H]2CCC[C@@H]2O)cc1OC ZINC000266141756 205133144 /nfs/dbraw/zinc/13/31/44/205133144.db2.gz ASYOVOTVRSSBBZ-KGLIPLIRSA-N 0 0 305.374 2.151 10 30 DEEERN C=CCn1c(CC)nnc1SCC(=O)n1nc(C)cc1C ZINC000020425606 182215941 /nfs/dbraw/zinc/21/59/41/182215941.db2.gz GAMXLQHYQLXRAD-UHFFFAOYSA-N 0 0 305.407 2.272 10 30 DEEERN C=C(C)CCNC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000454851823 246200925 /nfs/dbraw/zinc/20/09/25/246200925.db2.gz QRDSQDALDUNEIQ-OAHLLOKOSA-N 0 0 319.380 2.192 10 30 DEEERN C=CCNC(=O)NC(=O)[C@@H](C)Sc1ccc(F)c(F)c1 ZINC000026649996 182447939 /nfs/dbraw/zinc/44/79/39/182447939.db2.gz QBSSERNUHKESSP-MRVPVSSYSA-N 0 0 300.330 2.457 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000455431221 246581129 /nfs/dbraw/zinc/58/11/29/246581129.db2.gz WLKAGRSNAKDLQX-CZXHOFHRSA-N 0 0 300.349 2.407 10 30 DEEERN C=CCC[C@@H](NC(=O)c1c(CC)ncnc1CC)C(=O)OCC ZINC000456608185 247308993 /nfs/dbraw/zinc/30/89/93/247308993.db2.gz NEFFLRIQFSLZKN-CQSZACIVSA-N 0 0 319.405 2.229 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000458510216 248350080 /nfs/dbraw/zinc/35/00/80/248350080.db2.gz IGNJLEOBEZULPR-ZDUSSCGKSA-N 0 0 315.373 2.067 10 30 DEEERN C=CCC1(NC(=O)N[C@@H]2CCN(C(=O)NCC)C2)CCCCC1 ZINC000458541372 248365647 /nfs/dbraw/zinc/36/56/47/248365647.db2.gz JDQZEOBWILRHIC-CQSZACIVSA-N 0 0 322.453 2.368 10 30 DEEERN C=CCC[C@@H](NC(=O)N1CCC[C@@](O)(CO)C1)c1ccccc1 ZINC000458566318 248378302 /nfs/dbraw/zinc/37/83/02/248378302.db2.gz HFPCNXTZXUCELM-AEFFLSMTSA-N 0 0 318.417 2.223 10 30 DEEERN C=C(C)CNC(=O)[C@@H](NC(=O)NCc1ccc(F)cc1)C(C)C ZINC000490047916 248860743 /nfs/dbraw/zinc/86/07/43/248860743.db2.gz SARMUMOWPPMEOS-HNNXBMFYSA-N 0 0 321.396 2.342 10 30 DEEERN Cc1cc(C#N)nc(N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)n1 ZINC000450863833 291677444 /nfs/dbraw/zinc/67/74/44/291677444.db2.gz SWBKLGWQNVGPRJ-QWHCGFSZSA-N 0 0 321.384 2.435 10 30 DEEERN CCCO[C@H]1CCCN(C(=O)c2ccc(C#CCO)s2)C1 ZINC000042426632 183269811 /nfs/dbraw/zinc/26/98/11/183269811.db2.gz IXGZGMOYMOYLJU-ZDUSSCGKSA-N 0 0 307.415 2.123 10 30 DEEERN CCC(CC)N(CCO)C(=O)c1ccc(C#CCCO)s1 ZINC000042527639 183280859 /nfs/dbraw/zinc/28/08/59/183280859.db2.gz UQGIQRZJGXHSPF-UHFFFAOYSA-N 0 0 309.431 2.105 10 30 DEEERN CC(C)C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)C(=O)[O-] ZINC000043442901 183364347 /nfs/dbraw/zinc/36/43/47/183364347.db2.gz DBOWXGLNGUKEDW-LLVKDONJSA-N 0 0 309.391 2.037 10 30 DEEERN O=C(NCCc1cccs1)c1ccc(C#CCO)c(F)c1 ZINC000043581839 183373122 /nfs/dbraw/zinc/37/31/22/183373122.db2.gz QHEAWBHOUJRLFK-UHFFFAOYSA-N 0 0 303.358 2.204 10 30 DEEERN CS(=O)(=O)c1ccc(OCc2cc(C#CCO)cs2)cc1 ZINC000043699356 183381669 /nfs/dbraw/zinc/38/16/69/183381669.db2.gz QSZKWXWYMOFUOO-UHFFFAOYSA-N 0 0 322.407 2.074 10 30 DEEERN C[C@H](C#N)N(C)S(=O)(=O)c1sccc1Br ZINC000045143360 183484418 /nfs/dbraw/zinc/48/44/18/183484418.db2.gz URKZAXGPETVSOY-ZCFIWIBFSA-N 0 0 309.210 2.043 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000274253266 211457309 /nfs/dbraw/zinc/45/73/09/211457309.db2.gz HRCWSRFWLDWUFA-VXGBXAGGSA-N 0 0 310.419 2.114 10 30 DEEERN Cc1noc([C@@H]2CN(c3cc(Cl)ccc3C#N)CCN2C)n1 ZINC000284582031 218088003 /nfs/dbraw/zinc/08/80/03/218088003.db2.gz PPVWKFULGJPBIL-AWEZNQCLSA-N 0 0 317.780 2.396 10 30 DEEERN C=C(Br)CNCc1cc(OC)c2c(c1)OCCO2 ZINC000105453943 194104505 /nfs/dbraw/zinc/10/45/05/194104505.db2.gz BZOFAIMYDLELKU-UHFFFAOYSA-N 0 0 314.179 2.465 10 30 DEEERN Cc1nn(C)c(C)c1CN1CCN(Cc2ccccc2C#N)CC1 ZINC000105865671 194149416 /nfs/dbraw/zinc/14/94/16/194149416.db2.gz GMLLVGWHGWBWHU-UHFFFAOYSA-N 0 0 323.444 2.226 10 30 DEEERN CC(C)(C)c1ccc(OCC(=O)N2CCO[C@H](C#N)C2)cc1 ZINC000106054621 194182735 /nfs/dbraw/zinc/18/27/35/194182735.db2.gz QFNWPFXGARYROQ-OAHLLOKOSA-N 0 0 302.374 2.114 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)c1nc(NN)ccc1Cl ZINC000051093893 183813708 /nfs/dbraw/zinc/81/37/08/183813708.db2.gz ZBNGIGXLXXYIJJ-UHFFFAOYSA-N 0 0 301.737 2.453 10 30 DEEERN C#CCN[C@@](C)(C(=O)OCC)c1ccccc1Br ZINC000051965169 183843882 /nfs/dbraw/zinc/84/38/82/183843882.db2.gz MCSXCOODDRJHLX-CQSZACIVSA-N 0 0 310.191 2.450 10 30 DEEERN C#CCN[C@@H](C(=O)OCC)c1cc(Br)ccc1F ZINC000051965039 183844168 /nfs/dbraw/zinc/84/41/68/183844168.db2.gz ATKCMHFOHMRXST-GFCCVEGCSA-N 0 0 314.154 2.415 10 30 DEEERN C[C@@H](NS(=O)(=O)C(C)(C)C)c1ccc(C#CCCO)cc1 ZINC000111073164 194389164 /nfs/dbraw/zinc/38/91/64/194389164.db2.gz XIKVKRMSXSTHDR-CYBMUJFWSA-N 0 0 309.431 2.199 10 30 DEEERN C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(C)(C)C ZINC000112250785 194446061 /nfs/dbraw/zinc/44/60/61/194446061.db2.gz SNFIRQIJINXXOL-GFCCVEGCSA-N 0 0 322.430 2.024 10 30 DEEERN C[C@H](NS(=O)(=O)c1cccc(C#CCO)c1)c1ccsc1 ZINC000061372051 184169531 /nfs/dbraw/zinc/16/95/31/184169531.db2.gz KVAYUJQOGJYAGF-LBPRGKRZSA-N 0 0 321.423 2.131 10 30 DEEERN CCCCS(=O)(=O)Nc1cc(C#CCO)ccc1Cl ZINC000061691821 184182712 /nfs/dbraw/zinc/18/27/12/184182712.db2.gz ZCBVPEDTZZDOMM-UHFFFAOYSA-N 0 0 301.795 2.226 10 30 DEEERN O=S(=O)(Nc1cc(C#CCO)ccc1Cl)c1ccccc1 ZINC000061691817 184182984 /nfs/dbraw/zinc/18/29/84/184182984.db2.gz QWYOUEZNMTWRLL-UHFFFAOYSA-N 0 0 321.785 2.485 10 30 DEEERN N#CC1CCN(S(=O)(=O)c2ccc(C(=O)C3CC3)cc2)CC1 ZINC000062525509 184241841 /nfs/dbraw/zinc/24/18/41/184241841.db2.gz PVNZFYSCECITCF-UHFFFAOYSA-N 0 0 318.398 2.204 10 30 DEEERN Cc1cc(CCNS(=O)(=O)c2ccccc2C#N)c(C)n1C ZINC000062576556 184243901 /nfs/dbraw/zinc/24/39/01/184243901.db2.gz WNBAHIUXDMLWFM-UHFFFAOYSA-N 0 0 317.414 2.035 10 30 DEEERN Cc1c(N)cc(S(=O)(=O)N(C)[C@H](C)CC#N)cc1Cl ZINC000063086167 184269852 /nfs/dbraw/zinc/26/98/52/184269852.db2.gz CCEPVBIEGACRKI-MRVPVSSYSA-N 0 0 301.799 2.153 10 30 DEEERN C#CCn1ncc(NCCC(C)(C)C)c(Br)c1=O ZINC000158932173 197312092 /nfs/dbraw/zinc/31/20/92/197312092.db2.gz RXELNRMVFFEEQY-UHFFFAOYSA-N 0 0 312.211 2.487 10 30 DEEERN N#Cc1ccc2ncc(CNc3cccc(NC(N)=O)c3)n2c1 ZINC000158753744 197299212 /nfs/dbraw/zinc/29/92/12/197299212.db2.gz OUNLKJPRFSPVSI-UHFFFAOYSA-N 0 0 306.329 2.309 10 30 DEEERN C=CCN(CCO)S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000158740339 197297979 /nfs/dbraw/zinc/29/79/79/197297979.db2.gz CPLREOVGUOXBKN-UHFFFAOYSA-N 0 0 311.447 2.462 10 30 DEEERN C=CC[C@@H](C)Nc1cnn(CCOC)c(=O)c1Br ZINC000158572255 197284991 /nfs/dbraw/zinc/28/49/91/197284991.db2.gz XISQPHOLVNEBCB-SECBINFHSA-N 0 0 316.199 2.029 10 30 DEEERN CC1(C)C(=O)N(c2ccc(C(F)(F)F)cc2C#N)S1(=O)=O ZINC000158402269 197269094 /nfs/dbraw/zinc/26/90/94/197269094.db2.gz GSDJDCLQLCXESF-UHFFFAOYSA-N 0 0 318.276 2.032 10 30 DEEERN C#C[C@H](NN)c1cc(Br)c(Br)s1 ZINC000158136308 197246490 /nfs/dbraw/zinc/24/64/90/197246490.db2.gz OXRHRUBCCUQTJE-YFKPBYRVSA-N 0 0 310.014 2.411 10 30 DEEERN Cn1nccc1C1CCN(C(=O)NCc2cccc(C#N)c2)CC1 ZINC000156173740 197092297 /nfs/dbraw/zinc/09/22/97/197092297.db2.gz QRJFKRVEWIIFPE-UHFFFAOYSA-N 0 0 323.400 2.381 10 30 DEEERN CCN(CCc1nccs1)S(=O)(=O)c1ccccc1C#N ZINC000155347254 197046088 /nfs/dbraw/zinc/04/60/88/197046088.db2.gz JNXGLZVHMWVALG-UHFFFAOYSA-N 0 0 321.427 2.268 10 30 DEEERN CC[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1nccs1 ZINC000120375876 195154769 /nfs/dbraw/zinc/15/47/69/195154769.db2.gz LMTFAGHFDGGPTJ-GFCCVEGCSA-N 0 0 314.370 2.221 10 30 DEEERN CS(=O)(=O)c1csc(C(=O)NC2(C#N)CCCCC2)c1 ZINC000120656348 195209578 /nfs/dbraw/zinc/20/95/78/195209578.db2.gz MPTRKPNMMGCVBT-UHFFFAOYSA-N 0 0 312.416 2.108 10 30 DEEERN C[C@]12CC[C@@H]3[C@H](CC(=O)C4=CC(=O)CC[C@]43C)[C@@]1(O)CCC2=O ZINC000253629648 257257884 /nfs/dbraw/zinc/25/78/84/257257884.db2.gz UKVVNEHFNYKGMX-BUILFNTQSA-N 0 0 316.397 2.381 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000121057087 195288712 /nfs/dbraw/zinc/28/87/12/195288712.db2.gz PGTJYIFRPYUHQX-UHFFFAOYSA-N 0 0 321.384 2.009 10 30 DEEERN C[C@](O)(c1cccc(C#N)c1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000124790470 195680196 /nfs/dbraw/zinc/68/01/96/195680196.db2.gz GVXJHENBGGGQGS-PMPSAXMXSA-N 0 0 307.415 2.369 10 30 DEEERN CCC[C@@H](C#N)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1 ZINC000127157230 195853233 /nfs/dbraw/zinc/85/32/33/195853233.db2.gz GXHIUBHRPMUTJM-LURJTMIESA-N 0 0 323.783 2.280 10 30 DEEERN CS(=O)(=O)C[C@@H](NCC#Cc1ccccc1)c1ccccc1 ZINC000192162144 533363249 /nfs/dbraw/zinc/36/32/49/533363249.db2.gz DFZDIKOJFWJAJA-GOSISDBHSA-N 0 0 313.422 2.414 10 30 DEEERN C=C(C)CCNC(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000455211192 533488666 /nfs/dbraw/zinc/48/86/66/533488666.db2.gz PEGZJPPEKQAMAC-UHFFFAOYSA-N 0 0 314.393 2.421 10 30 DEEERN N#Cc1ccnc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000357428477 133077716 /nfs/dbraw/zinc/07/77/16/133077716.db2.gz SIAGDSPNQHBXII-UHFFFAOYSA-N 0 0 306.325 2.332 10 30 DEEERN C[C@H]1CCOCCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000362241464 133219363 /nfs/dbraw/zinc/21/93/63/133219363.db2.gz XLZKAVDIRQKLCC-NSHDSACASA-N 0 0 307.781 2.261 10 30 DEEERN Cc1ccc(NC(=O)CNc2ccncc2C#N)c(Cl)c1 ZINC000548480378 285746929 /nfs/dbraw/zinc/74/69/29/285746929.db2.gz VIZWCZKHJVYDMW-UHFFFAOYSA-N 0 0 300.749 2.388 10 30 DEEERN C#CC[C@@H](NC(=O)N1CC(F)(F)C[C@H]1CO)c1ccccc1 ZINC000364644225 404482204 /nfs/dbraw/zinc/48/22/04/404482204.db2.gz ZCMLAHJCSAXJSI-UONOGXRCSA-N 0 0 308.328 2.163 10 30 DEEERN N#Cc1ccc(CN2CCN(Cc3nccn3C(F)F)CC2)o1 ZINC000092614453 144607642 /nfs/dbraw/zinc/60/76/42/144607642.db2.gz KURXRDLQDMTLCT-UHFFFAOYSA-N 0 0 321.331 2.061 10 30 DEEERN COCC1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 ZINC000112312043 144632109 /nfs/dbraw/zinc/63/21/09/144632109.db2.gz BIACCGKXXKNWIN-CYBMUJFWSA-N 0 0 302.374 2.211 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)[C@@H]3COc4ccccc43)C2)cc1 ZINC000130828930 144755549 /nfs/dbraw/zinc/75/55/49/144755549.db2.gz VTNQFVYKKGNLGL-QGZVFWFLSA-N 0 0 320.348 2.324 10 30 DEEERN CCc1ncsc1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000130849545 144756548 /nfs/dbraw/zinc/75/65/48/144756548.db2.gz OGVPULINPOMYRT-UHFFFAOYSA-N 0 0 313.382 2.481 10 30 DEEERN N#Cc1ccc(OCCNC(=O)NCC[C@H]2CCCCO2)cc1 ZINC000181355517 144903510 /nfs/dbraw/zinc/90/35/10/144903510.db2.gz NFIYRAAMYCWTDL-OAHLLOKOSA-N 0 0 317.389 2.195 10 30 DEEERN C[C@H]1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000184645891 144946996 /nfs/dbraw/zinc/94/69/96/144946996.db2.gz LEEYXUBOTLSCLP-LBPRGKRZSA-N 0 0 310.361 2.403 10 30 DEEERN N#Cc1c(F)cccc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000189214727 145023795 /nfs/dbraw/zinc/02/37/95/145023795.db2.gz LVMPXMOODBNIOG-YVEFUNNKSA-N 0 0 302.349 2.465 10 30 DEEERN N#Cc1ccc(CSc2nnc(Cn3cncn3)o2)cc1F ZINC000190989339 145051930 /nfs/dbraw/zinc/05/19/30/145051930.db2.gz AYIFFGAJZSKCOB-UHFFFAOYSA-N 0 0 316.321 2.012 10 30 DEEERN Cn1nc(-c2cccs2)nc1NC(=O)c1ccnc(C#N)c1 ZINC000193067381 145081407 /nfs/dbraw/zinc/08/14/07/145081407.db2.gz HEUGAFBGBCTKIM-UHFFFAOYSA-N 0 0 310.342 2.063 10 30 DEEERN COC(=O)CCc1ccc(NC(=O)c2ccnc(C#N)c2)cc1 ZINC000193166566 145083100 /nfs/dbraw/zinc/08/31/00/145083100.db2.gz UVUDLPDSGVGNKO-UHFFFAOYSA-N 0 0 309.325 2.311 10 30 DEEERN Cn1cc(CNC(=O)c2ccnc(C#N)c2)c(-c2ccccc2)n1 ZINC000193793112 145090375 /nfs/dbraw/zinc/09/03/75/145090375.db2.gz JUKHTOCZNVXFON-UHFFFAOYSA-N 0 0 317.352 2.284 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(C#N)cc1OC ZINC000248784988 145166787 /nfs/dbraw/zinc/16/67/87/145166787.db2.gz CMKAXFTUIZVOIU-QRTARXTBSA-N 0 0 314.385 2.340 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(C#N)ccc1OC ZINC000248870069 145171223 /nfs/dbraw/zinc/17/12/23/145171223.db2.gz UREDLTNGQQMIEW-KMFMINBZSA-N 0 0 314.385 2.340 10 30 DEEERN COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H](C)[C@H](OC)C1 ZINC000251442519 145193987 /nfs/dbraw/zinc/19/39/87/145193987.db2.gz BFVKVIWKBJFPAH-MAZHCROVSA-N 0 0 302.374 2.129 10 30 DEEERN N#Cc1cccc([C@H]2CN(C(=O)Cc3cccc(O)c3)CCO2)c1 ZINC000374359139 148235384 /nfs/dbraw/zinc/23/53/84/148235384.db2.gz NBFQXAHGDYJCJY-GOSISDBHSA-N 0 0 322.364 2.406 10 30 DEEERN CCN1CCO[C@H](CNc2ccc(C#N)cc2Br)C1 ZINC000127177716 401723306 /nfs/dbraw/zinc/72/33/06/401723306.db2.gz GKNXHNKICHAKQE-GFCCVEGCSA-N 0 0 324.222 2.453 10 30 DEEERN Cc1ccc2oc(N3CCN(C(=O)C(C)(C)C#N)CC3)nc2c1 ZINC000112264186 401734946 /nfs/dbraw/zinc/73/49/46/401734946.db2.gz QXEFMXBMDYUIMV-UHFFFAOYSA-N 0 0 312.373 2.335 10 30 DEEERN COc1ccccc1C[C@H]1CCCN1S(=O)(=O)CCCC#N ZINC000111335049 401711912 /nfs/dbraw/zinc/71/19/12/401711912.db2.gz IRLLLWGZYYPZIU-OAHLLOKOSA-N 0 0 322.430 2.336 10 30 DEEERN C[C@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)CCCC#N ZINC000111338508 401712142 /nfs/dbraw/zinc/71/21/42/401712142.db2.gz ZRMWPAAWPXLDKU-DZGCQCFKSA-N 0 0 308.403 2.082 10 30 DEEERN C#CCCOc1ccc(CN2CCN(c3cccnn3)CC2)cc1 ZINC000127974762 401757890 /nfs/dbraw/zinc/75/78/90/401757890.db2.gz SDUGQHKKZLRZJO-UHFFFAOYSA-N 0 0 322.412 2.201 10 30 DEEERN C[C@H]1CCCN(S(=O)(=O)N(CCC#N)CC(C)(C)C)C1 ZINC000113289964 401775650 /nfs/dbraw/zinc/77/56/50/401775650.db2.gz KWJGWGDEWCOFBJ-ZDUSSCGKSA-N 0 0 301.456 2.225 10 30 DEEERN N#Cc1cccc(NC(=O)CN2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114201840 401793928 /nfs/dbraw/zinc/79/39/28/401793928.db2.gz QBNNPZSNBXTUAT-INIZCTEOSA-N 0 0 309.373 2.447 10 30 DEEERN CC[C@H]1C[C@@H](C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CCO1 ZINC000130348036 401828244 /nfs/dbraw/zinc/82/82/44/401828244.db2.gz RSYRFXGJZZFUAF-GJZGRUSLSA-N 0 0 314.385 2.353 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccccc1-n1cccn1 ZINC000077862116 401835393 /nfs/dbraw/zinc/83/53/93/401835393.db2.gz ACKCRFYXQWZAQU-UHFFFAOYSA-N 0 0 312.373 2.235 10 30 DEEERN CCOCCN1CCN(C(=O)c2ccc(C#N)cc2)C[C@@H]1CC ZINC000116768870 401858752 /nfs/dbraw/zinc/85/87/52/401858752.db2.gz JHONSMBOCRFEHL-KRWDZBQOSA-N 0 0 315.417 2.131 10 30 DEEERN C=CC[C@@H](C)NC(=O)CNC(=O)c1cc2c(s1)CCCC2 ZINC000116851848 401861496 /nfs/dbraw/zinc/86/14/96/401861496.db2.gz DXYFBLFYPKHZHC-LLVKDONJSA-N 0 0 306.431 2.438 10 30 DEEERN COC(=O)[C@@H](C)CN(Cc1ccccc1)c1cnc(C#N)cn1 ZINC000133512117 401889126 /nfs/dbraw/zinc/88/91/26/401889126.db2.gz JNYLSXASTPXZRF-ZDUSSCGKSA-N 0 0 310.357 2.164 10 30 DEEERN CCOc1ccc(CNC(=O)c2cc(C#N)cn2C)cc1F ZINC000081157239 401894367 /nfs/dbraw/zinc/89/43/67/401894367.db2.gz NQQHOWSLWRGHQT-UHFFFAOYSA-N 0 0 301.321 2.365 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cccc(-n2cccn2)n1 ZINC000134613205 401908717 /nfs/dbraw/zinc/90/87/17/401908717.db2.gz WEFJMDPLLVMTTR-UHFFFAOYSA-N 0 0 310.279 2.458 10 30 DEEERN C#Cc1cccc(NC(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1 ZINC000136507876 401968531 /nfs/dbraw/zinc/96/85/31/401968531.db2.gz XNLDMUIWTRTYEO-GDBMZVCRSA-N 0 0 311.385 2.190 10 30 DEEERN COCCCOC1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000136726499 401973223 /nfs/dbraw/zinc/97/32/23/401973223.db2.gz YPZUVJPLSDYCIB-UHFFFAOYSA-N 0 0 323.780 2.481 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)C3(C#N)CCCCC3)[C@@H]2C1 ZINC000120052894 401976096 /nfs/dbraw/zinc/97/60/96/401976096.db2.gz JGUBFFJGHXUBOT-KFWWJZLASA-N 0 0 306.406 2.255 10 30 DEEERN O=C(ON1C(=O)C[C@@H](c2ccccc2)C1=O)N1CCCCC1 ZINC000145872634 401991697 /nfs/dbraw/zinc/99/16/97/401991697.db2.gz GWNVUXVQIDMSQY-ZDUSSCGKSA-N 0 0 302.330 2.067 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)c2ccnc(C3CC3)n2)c1 ZINC000135467786 401941597 /nfs/dbraw/zinc/94/15/97/401941597.db2.gz VRKVCCWZRUAJJF-UHFFFAOYSA-N 0 0 306.369 2.410 10 30 DEEERN CC#CCNC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000135514847 401943069 /nfs/dbraw/zinc/94/30/69/401943069.db2.gz IMVJPRBWFYSIPE-AGUYFDCRSA-N 0 0 321.421 2.239 10 30 DEEERN C=CCCCN(C)C(=O)CNC(=O)CCc1ccc(C)cc1 ZINC000135660414 401949924 /nfs/dbraw/zinc/94/99/24/401949924.db2.gz XKALVONJQCGJOS-UHFFFAOYSA-N 0 0 302.418 2.468 10 30 DEEERN CC[C@H](C#N)NS(=O)(=O)c1cc(Br)sc1C ZINC000094870550 402023115 /nfs/dbraw/zinc/02/31/15/402023115.db2.gz ANHZRFXBAKLCDC-SSDOTTSWSA-N 0 0 323.237 2.400 10 30 DEEERN CC#CCNC(=O)c1ccccc1SCc1nc(C)no1 ZINC000121619820 402046548 /nfs/dbraw/zinc/04/65/48/402046548.db2.gz CXQMHCZSCWUHHR-UHFFFAOYSA-N 0 0 301.371 2.423 10 30 DEEERN C#CCOCCC(=O)N1CCC[C@H](c2nc(CC)cs2)C1 ZINC000151784077 402056436 /nfs/dbraw/zinc/05/64/36/402056436.db2.gz CSVSPQYTJKUIII-ZDUSSCGKSA-N 0 0 306.431 2.451 10 30 DEEERN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C(C)C ZINC000054841532 402072688 /nfs/dbraw/zinc/07/26/88/402072688.db2.gz JYLCMRQKWPGGRK-LBPRGKRZSA-N 0 0 317.389 2.445 10 30 DEEERN N#Cc1cccc(NC(=O)CN2CC[C@H](Oc3cccnc3)C2)c1 ZINC000152541939 402099817 /nfs/dbraw/zinc/09/98/17/402099817.db2.gz IQJJWKFTOVXYCY-KRWDZBQOSA-N 0 0 322.368 2.045 10 30 DEEERN C=CCn1c(SCc2csc(N(C)C3CC3)n2)n[nH]c1=O ZINC000122889304 402099909 /nfs/dbraw/zinc/09/99/09/402099909.db2.gz FUAPEUDBGCETLU-UHFFFAOYSA-N 0 0 323.447 2.105 10 30 DEEERN N#Cc1cccnc1N1CCN(Cc2cccc3c2OCO3)CC1 ZINC000122920699 402101716 /nfs/dbraw/zinc/10/17/16/402101716.db2.gz MMJNBGDXBMIZHH-UHFFFAOYSA-N 0 0 322.368 2.004 10 30 DEEERN N#Cc1ccc(CCC(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1 ZINC000097700064 402130686 /nfs/dbraw/zinc/13/06/86/402130686.db2.gz ACOWFMOMMCFAHF-UHFFFAOYSA-N 0 0 321.336 2.460 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)NCCCN1CCCC1=O ZINC000123601283 402137048 /nfs/dbraw/zinc/13/70/48/402137048.db2.gz JHYGUCUYCHSFKI-UHFFFAOYSA-N 0 0 315.417 2.397 10 30 DEEERN C#CCOCCC(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000153428616 402144719 /nfs/dbraw/zinc/14/47/19/402144719.db2.gz QNHUYXRGDDRMFC-CZUORRHYSA-N 0 0 305.349 2.154 10 30 DEEERN C#Cc1cccc(N(C)C(=O)[C@@H](CC(C)C)NC(=O)OC)c1 ZINC000103101967 402178933 /nfs/dbraw/zinc/17/89/33/402178933.db2.gz KLLQOYMDRTYFBC-OAHLLOKOSA-N 0 0 302.374 2.401 10 30 DEEERN Cc1nnc([C@H]2CN(CC#Cc3cccc(Cl)c3)CCO2)[nH]1 ZINC000154019958 402187457 /nfs/dbraw/zinc/18/74/57/402187457.db2.gz XQCUDYLCNMHEHO-OAHLLOKOSA-N 0 0 316.792 2.192 10 30 DEEERN N#Cc1cc(N[C@H]2CCS(=O)(=O)C2)ccc1C(F)(F)F ZINC000154038056 402188857 /nfs/dbraw/zinc/18/88/57/402188857.db2.gz MVUWFPDSODYTNY-JTQLQIEISA-N 0 0 304.293 2.176 10 30 DEEERN C=CCN(Cc1ccc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000124743613 402194828 /nfs/dbraw/zinc/19/48/28/402194828.db2.gz XTAADVSCOQOSDA-MRXNPFEDSA-N 0 0 316.426 2.410 10 30 DEEERN CC(C)=C(F)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000153696324 402163682 /nfs/dbraw/zinc/16/36/82/402163682.db2.gz QURVPCWYOUQECQ-OAHLLOKOSA-N 0 0 301.365 2.486 10 30 DEEERN N#Cc1cnc(N[C@@H]2CCN(c3ccc(F)cc3F)C2)cn1 ZINC000124152966 402166194 /nfs/dbraw/zinc/16/61/94/402166194.db2.gz FPEXYXNZLQNTGP-LLVKDONJSA-N 0 0 301.300 2.317 10 30 DEEERN C=C[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000153872252 402176346 /nfs/dbraw/zinc/17/63/46/402176346.db2.gz FTCZCUKDNNUXBP-DZGCQCFKSA-N 0 0 318.392 2.298 10 30 DEEERN N#CCOc1ccccc1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125654819 402243880 /nfs/dbraw/zinc/24/38/80/402243880.db2.gz ZSJWLAWHSNLBNO-UHFFFAOYSA-N 0 0 310.357 2.332 10 30 DEEERN CCN(CC1CCN(c2ccccn2)CC1)c1cnc(C#N)cn1 ZINC000125970795 402259045 /nfs/dbraw/zinc/25/90/45/402259045.db2.gz GHTRZQJACBMRSK-UHFFFAOYSA-N 0 0 322.416 2.486 10 30 DEEERN C[C@H]1Sc2ccc(C(=O)N[C@H](C#N)C3CC3)cc2NC1=O ZINC000108833798 402262461 /nfs/dbraw/zinc/26/24/61/402262461.db2.gz ARUMCSHKGVQEFW-PRHODGIISA-N 0 0 301.371 2.151 10 30 DEEERN CC(C)NC(=O)Nc1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000108832725 402262494 /nfs/dbraw/zinc/26/24/94/402262494.db2.gz CTSOQWWBUQBYFF-AWEZNQCLSA-N 0 0 300.362 2.248 10 30 DEEERN C=CCN(C)C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000154365770 402208740 /nfs/dbraw/zinc/20/87/40/402208740.db2.gz AOLGXCJSVQTNCU-AWEZNQCLSA-N 0 0 303.406 2.349 10 30 DEEERN C=CCSCCNC(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000176242660 402293389 /nfs/dbraw/zinc/29/33/89/402293389.db2.gz FODIBSVJBFYIPJ-LLVKDONJSA-N 0 0 310.467 2.186 10 30 DEEERN N#Cc1ccc(OC2CN(C[C@H](O)c3ccc(F)cc3)C2)cc1 ZINC000158575606 402308545 /nfs/dbraw/zinc/30/85/45/402308545.db2.gz ZUHGJCORJWWXIL-SFHVURJKSA-N 0 0 312.344 2.494 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000184967395 402313670 /nfs/dbraw/zinc/31/36/70/402313670.db2.gz PXSBTACMEGASSX-KBPBESRZSA-N 0 0 306.362 2.217 10 30 DEEERN C=C(C)CN(CC)C(=O)C[S@](=O)Cc1nccn1C(C)C ZINC000176880146 402345070 /nfs/dbraw/zinc/34/50/70/402345070.db2.gz OEVWKVCFCZYQTQ-OAQYLSRUSA-N 0 0 311.451 2.137 10 30 DEEERN C#CCC(C)(C)C(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000185519726 402358345 /nfs/dbraw/zinc/35/83/45/402358345.db2.gz OPYAGHWALBZCFP-UHFFFAOYSA-N 0 0 305.447 2.145 10 30 DEEERN CN(C)C(=O)Sc1ccc(CN2CCOC[C@@H]2C#N)cc1 ZINC000177107977 402370354 /nfs/dbraw/zinc/37/03/54/402370354.db2.gz DZBZTXSMQKIDFW-ZDUSSCGKSA-N 0 0 305.403 2.185 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1 ZINC000185804044 402378211 /nfs/dbraw/zinc/37/82/11/402378211.db2.gz TVKBCYLXQNVZSU-HNNXBMFYSA-N 0 0 313.401 2.464 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O ZINC000185796935 402378393 /nfs/dbraw/zinc/37/83/93/402378393.db2.gz IECDNPKFZXKPPQ-DOTOQJQBSA-N 0 0 314.385 2.004 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000185818818 402379974 /nfs/dbraw/zinc/37/99/74/402379974.db2.gz BJQPSPOOJGOYSF-KRWDZBQOSA-N 0 0 313.401 2.215 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000185845939 402382437 /nfs/dbraw/zinc/38/24/37/402382437.db2.gz XSYUKNOWYOHACX-SNVBAGLBSA-N 0 0 307.419 2.425 10 30 DEEERN N#CC1(C(=O)NCc2nc3ccccc3n2C2CC2)CCOCC1 ZINC000185994223 402395435 /nfs/dbraw/zinc/39/54/35/402395435.db2.gz ANARHHXELKXANG-UHFFFAOYSA-N 0 0 324.384 2.308 10 30 DEEERN C#C[C@@H](C)NC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000186031675 402397407 /nfs/dbraw/zinc/39/74/07/402397407.db2.gz NPKBXMUBPYJVIY-OLZOCXBDSA-N 0 0 321.371 2.250 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000162979977 402438477 /nfs/dbraw/zinc/43/84/77/402438477.db2.gz VQUOJKHHNPEKSW-OAHLLOKOSA-N 0 0 301.390 2.005 10 30 DEEERN Cc1cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c2cnn(C)c2n1 ZINC000177865431 402441611 /nfs/dbraw/zinc/44/16/11/402441611.db2.gz XCTHEMSFAXZNEZ-APPDUMDISA-N 0 0 311.389 2.479 10 30 DEEERN C=C(Br)CNC(=O)c1cc(Cl)nnc1Cl ZINC000161538288 402390839 /nfs/dbraw/zinc/39/08/39/402390839.db2.gz YKDHAAUPOSALOC-UHFFFAOYSA-N 0 0 310.966 2.422 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1ccc(Br)cc1C ZINC000185951170 402392657 /nfs/dbraw/zinc/39/26/57/402392657.db2.gz RTGOIHRBIXOAIM-ZDUSSCGKSA-N 0 0 312.207 2.353 10 30 DEEERN Cc1nc(C(=O)N2CCC(Cc3nccn3C)CC2)ccc1C#N ZINC000178543158 402509855 /nfs/dbraw/zinc/50/98/55/402509855.db2.gz RNJGGHOOTGIDGK-UHFFFAOYSA-N 0 0 323.400 2.090 10 30 DEEERN CC[C@H](CC#N)NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186663282 402452835 /nfs/dbraw/zinc/45/28/35/402452835.db2.gz BZOYHCLGHSTAAL-LLVKDONJSA-N 0 0 301.350 2.478 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCCC(=O)NCc1ccccc1 ZINC000164117151 402460122 /nfs/dbraw/zinc/46/01/22/402460122.db2.gz APCPNPFLVSCJEM-UHFFFAOYSA-N 0 0 321.380 2.303 10 30 DEEERN CC[C@@H](NS(=O)(=O)CC1(C#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000165873415 402479285 /nfs/dbraw/zinc/47/92/85/402479285.db2.gz FEHHJKDPLZZGFW-CYBMUJFWSA-N 0 0 323.374 2.269 10 30 DEEERN Cc1nc(C(=O)N2CCC[C@@H](Cc3nccn3C)C2)ccc1C#N ZINC000178286545 402479698 /nfs/dbraw/zinc/47/96/98/402479698.db2.gz FOWCSJNUQUJDBA-AWEZNQCLSA-N 0 0 323.400 2.090 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000245917229 402496875 /nfs/dbraw/zinc/49/68/75/402496875.db2.gz SAHOPJPFZKEZDO-PMPSAXMXSA-N 0 0 322.449 2.217 10 30 DEEERN CSCCCCNC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000178483867 402503072 /nfs/dbraw/zinc/50/30/72/402503072.db2.gz DYAIAOCNEGNONC-UHFFFAOYSA-N 0 0 305.403 2.065 10 30 DEEERN CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCN(C2CC2)CC1 ZINC000171155222 402562609 /nfs/dbraw/zinc/56/26/09/402562609.db2.gz MGMBFZKKJWZUGO-UHFFFAOYSA-N 0 0 315.421 2.427 10 30 DEEERN COc1cccc([C@H]2CN(C(=O)NCCCCC#N)CCO2)c1 ZINC000178686275 402526525 /nfs/dbraw/zinc/52/65/25/402526525.db2.gz DVEAFSZCTKGEFR-MRXNPFEDSA-N 0 0 317.389 2.472 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000171551536 402593391 /nfs/dbraw/zinc/59/33/91/402593391.db2.gz JVQQYMUSXABSSW-OLZOCXBDSA-N 0 0 309.410 2.394 10 30 DEEERN N#CC1(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)CCCC1 ZINC000171564800 402595037 /nfs/dbraw/zinc/59/50/37/402595037.db2.gz VCEOORVERWCTSZ-AWEZNQCLSA-N 0 0 301.321 2.271 10 30 DEEERN N#Cc1ccccc1/C=C/C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000171663083 402607357 /nfs/dbraw/zinc/60/73/57/402607357.db2.gz UAXYITOQZDKDHD-KXPUMZMLSA-N 0 0 307.357 2.027 10 30 DEEERN N#Cc1ccc(CNc2cc(-n3cnnn3)ccc2F)c(F)c1 ZINC000171728904 402615447 /nfs/dbraw/zinc/61/54/47/402615447.db2.gz JLBPMTUDUPBHLE-UHFFFAOYSA-N 0 0 312.283 2.424 10 30 DEEERN CC[C@@H](C#N)NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000171770611 402620698 /nfs/dbraw/zinc/62/06/98/402620698.db2.gz XBWCWBXXDAKCAL-QMMMGPOBSA-N 0 0 307.151 2.357 10 30 DEEERN CO[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2C#N)CC[C@H]1C ZINC000251899679 402650697 /nfs/dbraw/zinc/65/06/97/402650697.db2.gz QWMTYGKKRQBONL-XJKCOSOUSA-N 0 0 301.390 2.242 10 30 DEEERN C#CCCCNC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000174119988 402727571 /nfs/dbraw/zinc/72/75/71/402727571.db2.gz XASIYQYZQYHDEY-HNNXBMFYSA-N 0 0 315.417 2.234 10 30 DEEERN COc1cccc(F)c1[C@H](C)N[C@H](C)C(=O)N(C)CCC#N ZINC000174222969 402732399 /nfs/dbraw/zinc/73/23/99/402732399.db2.gz GSIZUKKQXVZEGC-NWDGAFQWSA-N 0 0 307.369 2.245 10 30 DEEERN Cc1ccn(Cc2noc(-c3ccccc3C)n2)c(=O)c1C#N ZINC000183281281 402752628 /nfs/dbraw/zinc/75/26/28/402752628.db2.gz UXXYYOLKKQIIIX-UHFFFAOYSA-N 0 0 306.325 2.435 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1cc(C)ccc1OC(F)F ZINC000183720744 402792283 /nfs/dbraw/zinc/79/22/83/402792283.db2.gz OHNPVSUSLPDFPM-GFCCVEGCSA-N 0 0 314.332 2.333 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCc1csc(C(C)(C)C)n1 ZINC000183819282 402800145 /nfs/dbraw/zinc/80/01/45/402800145.db2.gz AYTMZJRJPQREEN-LLVKDONJSA-N 0 0 311.451 2.219 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCc1csc(C(C)(C)C)n1 ZINC000183819266 402800297 /nfs/dbraw/zinc/80/02/97/402800297.db2.gz AYTMZJRJPQREEN-NSHDSACASA-N 0 0 311.451 2.219 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000183853027 402801980 /nfs/dbraw/zinc/80/19/80/402801980.db2.gz XJGDPVHUNUMBNV-KBPBESRZSA-N 0 0 323.824 2.155 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000184107964 402818925 /nfs/dbraw/zinc/81/89/25/402818925.db2.gz UWQRVPKPGGQVIS-AAEUAGOBSA-N 0 0 308.426 2.244 10 30 DEEERN CCCCN1CCOC[C@@H]1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000184240759 402829601 /nfs/dbraw/zinc/82/96/01/402829601.db2.gz BFSVFZNPOIOLTQ-QGZVFWFLSA-N 0 0 315.417 2.018 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000184252521 402830750 /nfs/dbraw/zinc/83/07/50/402830750.db2.gz KSMGHALNRBGHAU-STQMWFEESA-N 0 0 324.446 2.374 10 30 DEEERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccnc(C#N)c1 ZINC000195098229 402831689 /nfs/dbraw/zinc/83/16/89/402831689.db2.gz GPKFFMYJGPYMLS-UHFFFAOYSA-N 0 0 317.352 2.411 10 30 DEEERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc(C#N)cc1)CC2 ZINC000195262279 402839495 /nfs/dbraw/zinc/83/94/95/402839495.db2.gz XXOSJHGXSUUFQC-AWEZNQCLSA-N 0 0 309.373 2.018 10 30 DEEERN CC(C)c1nnc2n1C[C@H](NC(=O)c1sccc1C#N)CC2 ZINC000195283194 402840332 /nfs/dbraw/zinc/84/03/32/402840332.db2.gz XTTITLUMLPAPSG-LLVKDONJSA-N 0 0 315.402 2.079 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000183662511 402786616 /nfs/dbraw/zinc/78/66/16/402786616.db2.gz DOROOHOIPTVMOQ-ZBFHGGJFSA-N 0 0 320.389 2.303 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@@H](CC)Oc1cccc(F)c1 ZINC000183671432 402787841 /nfs/dbraw/zinc/78/78/41/402787841.db2.gz SOPGKAIMISYYJN-ZIAGYGMSSA-N 0 0 310.369 2.219 10 30 DEEERN C=CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000265225416 402902492 /nfs/dbraw/zinc/90/24/92/402902492.db2.gz AEDCDKUHOXOCNZ-JSGCOSHPSA-N 0 0 304.415 2.283 10 30 DEEERN C=CC[C@@H]1N(C(=O)CNC(=O)c2cccnc2)CCCC1(C)C ZINC000278120253 402857463 /nfs/dbraw/zinc/85/74/63/402857463.db2.gz LQADZLOVIJJBDR-HNNXBMFYSA-N 0 0 315.417 2.405 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000278854125 402878567 /nfs/dbraw/zinc/87/85/67/402878567.db2.gz SWNPHMAMTOXDKB-HUUCEWRRSA-N 0 0 312.373 2.402 10 30 DEEERN CC[C@@H]1CN(c2cc(C(C)=O)ccc2C#N)CCN1CCOC ZINC000272490343 402943629 /nfs/dbraw/zinc/94/36/29/402943629.db2.gz KDKINCBPCPKIRT-QGZVFWFLSA-N 0 0 315.417 2.308 10 30 DEEERN C#CCn1ccc(CN(CC)Cc2cnn(-c3ccccc3)n2)n1 ZINC000279831087 402962623 /nfs/dbraw/zinc/96/26/23/402962623.db2.gz ZMYXAKZPVCCUNX-UHFFFAOYSA-N 0 0 320.400 2.119 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC000280406117 402996549 /nfs/dbraw/zinc/99/65/49/402996549.db2.gz WDIKFHZDJOOSDK-ZETCQYMHSA-N 0 0 315.345 2.239 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000281593907 403073012 /nfs/dbraw/zinc/07/30/12/403073012.db2.gz JPIPFEDUZCFACS-SECBINFHSA-N 0 0 310.202 2.209 10 30 DEEERN C=CCn1c(C)nnc1N1CCO[C@H](c2nc(C)cs2)C1 ZINC000282350672 403145788 /nfs/dbraw/zinc/14/57/88/403145788.db2.gz SGHQCEVPEVLNQN-LBPRGKRZSA-N 0 0 305.407 2.115 10 30 DEEERN Cc1nc(C(=O)N2CCC=C(Br)C2)ccc1C#N ZINC000282427183 403153229 /nfs/dbraw/zinc/15/32/29/403153229.db2.gz YOYVERUQKOEDTN-UHFFFAOYSA-N 0 0 306.163 2.386 10 30 DEEERN C=CCn1c(-c2cc(C)oc2C)nnc1N1CCO[C@@H](C#N)C1 ZINC000282555790 403156586 /nfs/dbraw/zinc/15/65/86/403156586.db2.gz JHHQOVREQIMERH-ZDUSSCGKSA-N 0 0 313.361 2.070 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC000282651535 403158103 /nfs/dbraw/zinc/15/81/03/403158103.db2.gz QNUHGMCWYHIFRQ-RDBSUJKOSA-N 0 0 306.410 2.034 10 30 DEEERN CC[C@@H]1CN(c2nnc(C)c(C)c2C#N)CCN1CC(F)F ZINC000270802142 403226191 /nfs/dbraw/zinc/22/61/91/403226191.db2.gz NWEMKBNSFOYJHQ-GFCCVEGCSA-N 0 0 309.364 2.131 10 30 DEEERN CC1(C)CCCN(C(=O)c2cc(-n3ccnc3)ccn2)[C@H]1C#N ZINC000277635696 403239337 /nfs/dbraw/zinc/23/93/37/403239337.db2.gz XNGXNEJGVZUDLY-HNNXBMFYSA-N 0 0 309.373 2.422 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000342663113 403300365 /nfs/dbraw/zinc/30/03/65/403300365.db2.gz LKGCLUKLDYHECZ-QGZVFWFLSA-N 0 0 302.374 2.289 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC000277851780 403263909 /nfs/dbraw/zinc/26/39/09/403263909.db2.gz YSWVKUARRGXQAS-UHFFFAOYSA-N 0 0 316.351 2.276 10 30 DEEERN C=CCCCCNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000277956406 403274349 /nfs/dbraw/zinc/27/43/49/403274349.db2.gz LMQXRJXLHLFFMG-HNNXBMFYSA-N 0 0 319.453 2.353 10 30 DEEERN C#CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000285049875 403277466 /nfs/dbraw/zinc/27/74/66/403277466.db2.gz IUUFJDDIFAXRDW-HUUCEWRRSA-N 0 0 324.346 2.374 10 30 DEEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CC(C)(C#N)C1 ZINC000285317220 403280701 /nfs/dbraw/zinc/28/07/01/403280701.db2.gz UFJFYXATRNREEW-UKRRQHHQSA-N 0 0 316.405 2.304 10 30 DEEERN C=C(CNC(=O)COc1cccc(C(=O)NC)c1)c1ccccc1 ZINC000345746190 403466008 /nfs/dbraw/zinc/46/60/08/403466008.db2.gz JTBUWGFUTYOGFF-UHFFFAOYSA-N 0 0 324.380 2.255 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@@H](C)c1ccc(F)cc1 ZINC000343296054 403528883 /nfs/dbraw/zinc/52/88/83/403528883.db2.gz CNYBSFJREYPNRD-CYBMUJFWSA-N 0 0 306.381 2.470 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H]3C(C)C)cc2C1=O ZINC000343315977 403537419 /nfs/dbraw/zinc/53/74/19/403537419.db2.gz XKRVFMUGHLASSU-OAHLLOKOSA-N 0 0 312.369 2.339 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000286740154 403544632 /nfs/dbraw/zinc/54/46/32/403544632.db2.gz QIQCNQJUYYTHAY-BHYGNILZSA-N 0 0 300.402 2.345 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCO[C@H](C)C1 ZINC000286776345 403545016 /nfs/dbraw/zinc/54/50/16/403545016.db2.gz QNHMITVMOCPAAP-OIISXLGYSA-N 0 0 300.402 2.488 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)Nc1cc(N2CCOCC2)ncn1 ZINC000286404888 403519867 /nfs/dbraw/zinc/51/98/67/403519867.db2.gz PXCPYVLZOHORKL-KRWDZBQOSA-N 0 0 322.412 2.360 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC ZINC000287464417 403604861 /nfs/dbraw/zinc/60/48/61/403604861.db2.gz SFDAJXAOROQQDY-WBAXXEDZSA-N 0 0 314.429 2.288 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)OCCOCC ZINC000287314846 403573272 /nfs/dbraw/zinc/57/32/72/403573272.db2.gz LYDZBCOWZAXDNH-WBVHZDCISA-N 0 0 303.402 2.179 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000346196615 403578233 /nfs/dbraw/zinc/57/82/33/403578233.db2.gz XXYCCKQTYHMEKI-WCJKSRRJSA-N 0 0 321.442 2.364 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cnn(C)c1 ZINC000287484290 403608167 /nfs/dbraw/zinc/60/81/67/403608167.db2.gz QOIOZOGKXROXBV-PBHICJAKSA-N 0 0 310.401 2.415 10 30 DEEERN CCOC(=O)N[C@H]1CCCN(c2cc(C)nc(C)c2C#N)C1 ZINC000301811771 403684004 /nfs/dbraw/zinc/68/40/04/403684004.db2.gz ZRPQSTFGQOTETD-ZDUSSCGKSA-N 0 0 302.378 2.285 10 30 DEEERN N#Cc1ccc(N[C@H]2CCN(C(=O)c3ccccn3)C2)c(F)c1 ZINC000301829206 403687362 /nfs/dbraw/zinc/68/73/62/403687362.db2.gz GQJDZCPUPCIPKL-ZDUSSCGKSA-N 0 0 310.332 2.419 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)c2nc(C)nc(OC)c2C)c1 ZINC000302671780 403712481 /nfs/dbraw/zinc/71/24/81/403712481.db2.gz OBUQOIMLXUFUPO-UHFFFAOYSA-N 0 0 324.384 2.158 10 30 DEEERN CC(=O)c1cnccc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000343747057 403716178 /nfs/dbraw/zinc/71/61/78/403716178.db2.gz RHKLFNVWXJXVIB-UHFFFAOYSA-N 0 0 323.327 2.387 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000288077610 403720298 /nfs/dbraw/zinc/72/02/98/403720298.db2.gz GVVRKCKXNVFWFF-KURKYZTESA-N 0 0 314.429 2.471 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccc(O)c(Br)c1 ZINC000288085445 403722090 /nfs/dbraw/zinc/72/20/90/403722090.db2.gz HPRQFPVWHBOCIT-UHFFFAOYSA-N 0 0 320.186 2.434 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc2nc(C)cn2c1 ZINC000343791646 403735534 /nfs/dbraw/zinc/73/55/34/403735534.db2.gz QTBMHYBZCHRJKY-LBPRGKRZSA-N 0 0 314.389 2.442 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](CCCO)c1ccccc1 ZINC000288475916 403755811 /nfs/dbraw/zinc/75/58/11/403755811.db2.gz PTIGQGHDLBWFCI-INIZCTEOSA-N 0 0 318.417 2.041 10 30 DEEERN C=CCN(CC=C)C(=O)CN1CCC2(C1)Oc1ccccc1O2 ZINC000288807926 403773096 /nfs/dbraw/zinc/77/30/96/403773096.db2.gz LFWNRPVZYOPHRY-UHFFFAOYSA-N 0 0 314.385 2.060 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@@](C)(C(=O)OC)c1ccc(F)cc1 ZINC000362232334 403937842 /nfs/dbraw/zinc/93/78/42/403937842.db2.gz HKGIIBQMNKAECL-SJKOYZFVSA-N 0 0 323.364 2.311 10 30 DEEERN C=C[C@@H](C)NC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000362381330 403949143 /nfs/dbraw/zinc/94/91/43/403949143.db2.gz XDNBPOCRERQTRJ-KGLIPLIRSA-N 0 0 303.406 2.395 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N(C)[C@@H](C)c1ccco1 ZINC000289547202 403985412 /nfs/dbraw/zinc/98/54/12/403985412.db2.gz FAODTOIRPODEGT-GXTWGEPZSA-N 0 0 318.377 2.342 10 30 DEEERN Cc1ncc(S(=O)(=O)N(C)C2CCC(C)CC2)cc1C#N ZINC000314557734 403998208 /nfs/dbraw/zinc/99/82/08/403998208.db2.gz SOZDGILPRCZEIY-UHFFFAOYSA-N 0 0 307.419 2.461 10 30 DEEERN C=CC[C@@H](CC)NS(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000289828700 404001534 /nfs/dbraw/zinc/00/15/34/404001534.db2.gz LBDQNSPRWCXBCI-LLVKDONJSA-N 0 0 315.391 2.316 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1nccn1-c1ccccc1 ZINC000348008356 404005723 /nfs/dbraw/zinc/00/57/23/404005723.db2.gz JZKWMCRUDPZNIA-ZIAGYGMSSA-N 0 0 314.389 2.170 10 30 DEEERN C[C@@H]1CC[C@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[C@H](C)C1 ZINC000369287472 404032803 /nfs/dbraw/zinc/03/28/03/404032803.db2.gz HUODBARDVPVCCN-VDERGJSUSA-N 0 0 304.438 2.193 10 30 DEEERN CC[N@@H+]1CCN(c2ncc(Br)cc2C#N)C[C@@H]1C ZINC000310943939 403968851 /nfs/dbraw/zinc/96/88/51/403968851.db2.gz WYUOAYJLQAMQLI-JTQLQIEISA-N 0 0 309.211 2.246 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCC1CCC(OC)CC1 ZINC000351860711 403970050 /nfs/dbraw/zinc/97/00/50/403970050.db2.gz IETMJFRNMUZDGY-UHFFFAOYSA-N 0 0 310.438 2.123 10 30 DEEERN C=CCOC[C@H]1NC(=O)N(c2cccc(C(C)(F)F)c2)C1=O ZINC000348644883 404087227 /nfs/dbraw/zinc/08/72/27/404087227.db2.gz CXHFLQKVISMAQN-GFCCVEGCSA-N 0 0 310.300 2.426 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCOC[C@@H]1C ZINC000296108503 404098075 /nfs/dbraw/zinc/09/80/75/404098075.db2.gz VRXPGPWNXDYXRF-UONOGXRCSA-N 0 0 306.410 2.321 10 30 DEEERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)NCc2ccco2)cn1 ZINC000328631879 404119675 /nfs/dbraw/zinc/11/96/75/404119675.db2.gz RMLWSQQAZSKOQC-LSDHHAIUSA-N 0 0 318.377 2.420 10 30 DEEERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(F)cc3n[nH]nc32)C1 ZINC000328658864 404126327 /nfs/dbraw/zinc/12/63/27/404126327.db2.gz RUXDEXDBGKJHGC-VXNVDRBHSA-N 0 0 305.313 2.496 10 30 DEEERN CN(C)c1ncc([NH+]=C([O-])N[C@H]2CCc3ccccc3C2)cn1 ZINC000328664686 404127324 /nfs/dbraw/zinc/12/73/24/404127324.db2.gz YRLKEBJOIGVMLD-AWEZNQCLSA-N 0 0 311.389 2.426 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@H]1CC[C@H](CO)CC1)CCC2 ZINC000328664510 404127385 /nfs/dbraw/zinc/12/73/85/404127385.db2.gz YPGHLCPUZKVGCM-KKUMJFAQSA-N 0 0 320.437 2.124 10 30 DEEERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@H]1CC[C@H](CO)CC1)CCC2 ZINC000328664642 404127420 /nfs/dbraw/zinc/12/74/20/404127420.db2.gz YPGHLCPUZKVGCM-RBSFLKMASA-N 0 0 320.437 2.124 10 30 DEEERN C=CCN(CC=C)C(=O)CN1CCO[C@@H](C2CCCCC2)C1 ZINC000349238092 404139087 /nfs/dbraw/zinc/13/90/87/404139087.db2.gz GIIJOYGFQCGHNO-QGZVFWFLSA-N 0 0 306.450 2.468 10 30 DEEERN CC(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCn3cc(C)nc32)C1 ZINC000328781887 404149594 /nfs/dbraw/zinc/14/95/94/404149594.db2.gz JNUUBFGKHYKFFW-GJZGRUSLSA-N 0 0 318.421 2.284 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)[C@H]1CC[C@@H](C(=O)OC)C1 ZINC000412256913 404212240 /nfs/dbraw/zinc/21/22/40/404212240.db2.gz RIUOJGKDOCSPIC-UONOGXRCSA-N 0 0 305.374 2.426 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC[C@@H]1CCOC1 ZINC000355095867 404215571 /nfs/dbraw/zinc/21/55/71/404215571.db2.gz GNNGOHYCNROLTG-CQSZACIVSA-N 0 0 322.405 2.286 10 30 DEEERN C=CCCCNC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000344473897 404164598 /nfs/dbraw/zinc/16/45/98/404164598.db2.gz DNHDLYGCWQBZMM-INIZCTEOSA-N 0 0 304.390 2.345 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000363618791 404206614 /nfs/dbraw/zinc/20/66/14/404206614.db2.gz ARLQPIVZBCZLNS-JKSUJKDBSA-N 0 0 319.364 2.187 10 30 DEEERN C#Cc1ccc(CNC(=O)NCC[S@@](=O)C(C)(C)C)cc1 ZINC000296428894 404243671 /nfs/dbraw/zinc/24/36/71/404243671.db2.gz NKXHSYAZBWDPKH-OAQYLSRUSA-N 0 0 306.431 2.014 10 30 DEEERN C=C[C@H](C)NC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000352249399 404245306 /nfs/dbraw/zinc/24/53/06/404245306.db2.gz IZGDADWVQMEZFM-JOYOIKCWSA-N 0 0 313.195 2.356 10 30 DEEERN Cc1noc(C)c1C[C@H](C)NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000329245310 404277480 /nfs/dbraw/zinc/27/74/80/404277480.db2.gz AEUHKJWNEQYVAP-PJODQICGSA-N 0 0 320.437 2.162 10 30 DEEERN CC(C)(C)N1C[C@H](NC(=O)C[C@H]2CCCCNC2=O)CC1=O ZINC000329260818 404281910 /nfs/dbraw/zinc/28/19/10/404281910.db2.gz CYRKKHDPDYPSGP-VXGBXAGGSA-N 0 0 309.410 2.489 10 30 DEEERN C#CCOc1ccc(CNC(=O)c2nnn(C(C)C)c2C)cc1 ZINC000296832520 404333483 /nfs/dbraw/zinc/33/34/83/404333483.db2.gz DARZJVSEUXIVPF-UHFFFAOYSA-N 0 0 312.373 2.109 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000290914140 404355662 /nfs/dbraw/zinc/35/56/62/404355662.db2.gz PQSDOZLVRRERAZ-CHWSQXEVSA-N 0 0 308.809 2.220 10 30 DEEERN C#C[C@@H](C)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C ZINC000364378239 404372104 /nfs/dbraw/zinc/37/21/04/404372104.db2.gz AQCPKLJEBPYJJT-RHSMWYFYSA-N 0 0 312.413 2.124 10 30 DEEERN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCOC[C@H]1C ZINC000291135869 404374208 /nfs/dbraw/zinc/37/42/08/404374208.db2.gz WQFRXBXMWODICP-CQSZACIVSA-N 0 0 313.405 2.450 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCc1ccc(Cl)c(OC)c1 ZINC000296948958 404385258 /nfs/dbraw/zinc/38/52/58/404385258.db2.gz QCQSKKZQWCDDLV-LBPRGKRZSA-N 0 0 312.797 2.127 10 30 DEEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000291466869 404390625 /nfs/dbraw/zinc/39/06/25/404390625.db2.gz KIDVFPIUIFOWTG-ZCFIWIBFSA-N 0 0 307.297 2.181 10 30 DEEERN C=C[C@@](C)(CC)C(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C ZINC000291486866 404399176 /nfs/dbraw/zinc/39/91/76/404399176.db2.gz GMAFCLMOZCVMOF-INIZCTEOSA-N 0 0 303.362 2.123 10 30 DEEERN Cn1cc(NC(=O)N2CCOC[C@@H]2CC(F)F)c(C2CC2)n1 ZINC000329633997 404402403 /nfs/dbraw/zinc/40/24/03/404402403.db2.gz SUPAZLCZCIWHRU-JTQLQIEISA-N 0 0 314.336 2.199 10 30 DEEERN CC(C)O[C@@H]1C[C@@H](NC(=O)N2CCc3cncnc3C2)C1(C)C ZINC000329636222 404404925 /nfs/dbraw/zinc/40/49/25/404404925.db2.gz UYJNSEQCVCPMFP-HUUCEWRRSA-N 0 0 318.421 2.341 10 30 DEEERN C=CCC(C)(C)CNC(=O)C1CCN(Cc2nccn2C)CC1 ZINC000352488028 404407046 /nfs/dbraw/zinc/40/70/46/404407046.db2.gz LKAAELVYNVCXQS-UHFFFAOYSA-N 0 0 318.465 2.351 10 30 DEEERN C#CCOc1ccc(CNC(=O)N(C)C[C@H]2CCCO2)cc1 ZINC000297002869 404408852 /nfs/dbraw/zinc/40/88/52/404408852.db2.gz KHUITLOJUXWMQX-MRXNPFEDSA-N 0 0 302.374 2.019 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N(CCCCO)C1CC1 ZINC000351078855 404510278 /nfs/dbraw/zinc/51/02/78/404510278.db2.gz ZJBFQKIQYGQBBD-UHFFFAOYSA-N 0 0 302.378 2.465 10 30 DEEERN O=C(CC[C@H]1CCOC1)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000329988776 404515865 /nfs/dbraw/zinc/51/58/65/404515865.db2.gz UQRSYUCTMBVYOV-IHRRRGAJSA-N 0 0 322.384 2.167 10 30 DEEERN O=C(CN1CCO[C@@H](C2CC2)C1)Nc1ccc2c(c1)OCO2 ZINC000330141714 404563467 /nfs/dbraw/zinc/56/34/67/404563467.db2.gz QEHDVLQJDCNHLW-OAHLLOKOSA-N 0 0 304.346 2.114 10 30 DEEERN C=CCC1(C(=O)N2CCCN(C(=O)c3ccc[nH]3)CC2)CCC1 ZINC000365158873 404563726 /nfs/dbraw/zinc/56/37/26/404563726.db2.gz DCWPNPYFPQDCJQ-UHFFFAOYSA-N 0 0 315.417 2.436 10 30 DEEERN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CCO[C@@H](C2CC2)C1 ZINC000330142009 404563730 /nfs/dbraw/zinc/56/37/30/404563730.db2.gz QHPLPRWENPALRY-JJXSEGSLSA-N 0 0 320.433 2.359 10 30 DEEERN C=C[C@H](C)NC(=O)N1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000345275965 404652104 /nfs/dbraw/zinc/65/21/04/404652104.db2.gz WOSMEWFBWDYNTD-WDEREUQCSA-N 0 0 321.343 2.051 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)C1CCCCC1 ZINC000330319754 404624546 /nfs/dbraw/zinc/62/45/46/404624546.db2.gz DMDZGBMPAKITQQ-VNQPRFMTSA-N 0 0 321.421 2.395 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)C1CCCCC1 ZINC000330319753 404624943 /nfs/dbraw/zinc/62/49/43/404624943.db2.gz DMDZGBMPAKITQQ-FVQBIDKESA-N 0 0 321.421 2.395 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N(C[C@H]1CCC(=O)N1)C(C)C ZINC000414536271 404670388 /nfs/dbraw/zinc/67/03/88/404670388.db2.gz ZGTAGSRFIKTVKP-ZIAGYGMSSA-N 0 0 319.453 2.471 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000366196263 404771276 /nfs/dbraw/zinc/77/12/76/404771276.db2.gz LIKQAIGJEDYRIJ-UHFFFAOYSA-N 0 0 302.374 2.375 10 30 DEEERN Cc1cc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cnc1Cl ZINC000366014828 404748755 /nfs/dbraw/zinc/74/87/55/404748755.db2.gz ODHZSIIIXRHKEG-CYBMUJFWSA-N 0 0 319.796 2.248 10 30 DEEERN C[C@H](NC(=O)[C@@H](C#N)c1nccn1Cc1ccccc1)C1CC1 ZINC000358081497 404753172 /nfs/dbraw/zinc/75/31/72/404753172.db2.gz WXKPJYSMKJCWPU-BBRMVZONSA-N 0 0 308.385 2.453 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000359118250 404784266 /nfs/dbraw/zinc/78/42/66/404784266.db2.gz UWEXHFJOIZGXKC-HUUCEWRRSA-N 0 0 322.449 2.313 10 30 DEEERN C=CC[C@@H](CO)CN[C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000359200221 404786615 /nfs/dbraw/zinc/78/66/15/404786615.db2.gz AIZSZMNLQUMBDS-CXAGYDPISA-N 0 0 303.381 2.423 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@@](C)(c1noc(C)n1)C1CC1)OCC ZINC000353430411 404829046 /nfs/dbraw/zinc/82/90/46/404829046.db2.gz AGPLOISWRXCOHK-XJKSGUPXSA-N 0 0 307.394 2.491 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCc1c2c(nn1C)CCCC2)OCC ZINC000360816560 404839060 /nfs/dbraw/zinc/83/90/60/404839060.db2.gz HSCRYUMEWIBQJB-MRXNPFEDSA-N 0 0 305.422 2.286 10 30 DEEERN N#CC1(C(=O)N2CCO[C@@H](COc3ccccc3)C2)CCCC1 ZINC000360575499 404831820 /nfs/dbraw/zinc/83/18/20/404831820.db2.gz YHADSXGATSKRFQ-MRXNPFEDSA-N 0 0 314.385 2.377 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CCN(CC(F)F)[C@@H](CC)C1 ZINC000353445114 404833196 /nfs/dbraw/zinc/83/31/96/404833196.db2.gz GJTNUJPKNXAKMA-BBRMVZONSA-N 0 0 318.408 2.403 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N1CCCN(c2cccnn2)CC1 ZINC000366986870 404890403 /nfs/dbraw/zinc/89/04/03/404890403.db2.gz CLDCJBMOQCFULD-CQSZACIVSA-N 0 0 303.410 2.053 10 30 DEEERN C=CCc1ccc(OCC(=O)N2CC[C@H](O)C2(C)C)c(OC)c1 ZINC000361171255 404956981 /nfs/dbraw/zinc/95/69/81/404956981.db2.gz MQTIWCUEPLEBOB-INIZCTEOSA-N 0 0 319.401 2.174 10 30 DEEERN C=CC[C@@H](C)NC(=O)N1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000378307109 404923268 /nfs/dbraw/zinc/92/32/68/404923268.db2.gz PFKZXLHXZLDZCH-BXUZGUMPSA-N 0 0 306.410 2.084 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)Nc1ccc(F)c(C(=O)OC)c1C ZINC000353860248 404970884 /nfs/dbraw/zinc/97/08/84/404970884.db2.gz MGSMJOWPJNFBOZ-LLVKDONJSA-N 0 0 324.352 2.227 10 30 DEEERN COCCOc1cccc(CC(=O)Nc2cc(C#N)ccn2)c1 ZINC000436009519 405035899 /nfs/dbraw/zinc/03/58/99/405035899.db2.gz UUSTYNPKEDHQHK-UHFFFAOYSA-N 0 0 311.341 2.160 10 30 DEEERN N#Cc1ccc(CN2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1F ZINC000408046665 405097050 /nfs/dbraw/zinc/09/70/50/405097050.db2.gz XSMLUMHAHZGVKL-JQHSSLGASA-N 0 0 318.392 2.449 10 30 DEEERN N#Cc1cc(N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)nc2ccccc12 ZINC000408172709 405130512 /nfs/dbraw/zinc/13/05/12/405130512.db2.gz ZRYNFBSJFYCKQH-JQHSSLGASA-N 0 0 323.396 2.473 10 30 DEEERN CC#CCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000361529813 405117002 /nfs/dbraw/zinc/11/70/02/405117002.db2.gz GVFWKXPVDRWXEF-HZPDHXFCSA-N 0 0 321.371 2.423 10 30 DEEERN C=CCC1(C(=O)N[C@H](C)c2nnc3ccccn32)CCOCC1 ZINC000424564250 405117133 /nfs/dbraw/zinc/11/71/33/405117133.db2.gz PAFSBAWAOIXIAK-CYBMUJFWSA-N 0 0 314.389 2.279 10 30 DEEERN C=CCC1(C(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)CCOCC1 ZINC000424661760 405141918 /nfs/dbraw/zinc/14/19/18/405141918.db2.gz WSGGURFQLUGOAJ-CABCVRRESA-N 0 0 322.449 2.265 10 30 DEEERN C=CCCn1cc(C(=O)N[C@H](C)Cc2cccc(OC)c2)nn1 ZINC000424662028 405142381 /nfs/dbraw/zinc/14/23/81/405142381.db2.gz XCVQTVNGQWKUGS-CYBMUJFWSA-N 0 0 314.389 2.224 10 30 DEEERN C=CCC1(C(=O)NCCCNc2ccccn2)CCOCC1 ZINC000424677894 405146623 /nfs/dbraw/zinc/14/66/23/405146623.db2.gz JMXKSSRYPTZYGC-UHFFFAOYSA-N 0 0 303.406 2.373 10 30 DEEERN C=CC[C@H](CC)NS(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000416529368 405166384 /nfs/dbraw/zinc/16/63/84/405166384.db2.gz RFHHMZMBUYALDC-VIFPVBQESA-N 0 0 307.366 2.299 10 30 DEEERN C=CCOc1ccc(CNC(=O)N2CC[C@H](O)C2(C)C)cc1 ZINC000361617815 405165103 /nfs/dbraw/zinc/16/51/03/405165103.db2.gz YGGHHTGAYZILMK-HNNXBMFYSA-N 0 0 304.390 2.306 10 30 DEEERN C=CCC1(C(=O)NCC[C@H](OC)C(F)(F)F)CCOCC1 ZINC000424798894 405181650 /nfs/dbraw/zinc/18/16/50/405181650.db2.gz UITYBXXSVGXSND-NSHDSACASA-N 0 0 309.328 2.443 10 30 DEEERN C=CCC1(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)CCOCC1 ZINC000424847827 405195471 /nfs/dbraw/zinc/19/54/71/405195471.db2.gz GKYGTCRKDQBKEY-DAYGRLMNSA-N 0 0 323.433 2.154 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(C)(C)COCC(F)F ZINC000437477948 405200620 /nfs/dbraw/zinc/20/06/20/405200620.db2.gz BDKOYMGSVSTUHV-YPMHNXCESA-N 0 0 305.365 2.392 10 30 DEEERN Cc1nc(C#N)c(C#N)n1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000408428739 405203989 /nfs/dbraw/zinc/20/39/89/405203989.db2.gz FTZVMNVWCYKYCJ-UHFFFAOYSA-N 0 0 323.400 2.020 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@H]2CCOC2(C)C)c(OC)c1 ZINC000452468802 405206418 /nfs/dbraw/zinc/20/64/18/405206418.db2.gz TYVRNVYCGNXWNY-INIZCTEOSA-N 0 0 319.401 2.486 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Br)cn1C ZINC000424901002 405209132 /nfs/dbraw/zinc/20/91/32/405209132.db2.gz FXBYWCAXWNISKC-CABZTGNLSA-N 0 0 313.195 2.109 10 30 DEEERN C=CCn1cc(CNC(=O)c2ccoc2C(F)(F)F)nn1 ZINC000424918231 405212379 /nfs/dbraw/zinc/21/23/79/405212379.db2.gz QJOWSSBOPZFCKR-UHFFFAOYSA-N 0 0 300.240 2.006 10 30 DEEERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000408333986 405176406 /nfs/dbraw/zinc/17/64/06/405176406.db2.gz KIOCENMWZCMOHX-RRQGHBQHSA-N 0 0 314.385 2.273 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1nccc(C(=O)OCC)c1[N+](=O)[O-] ZINC000425280222 405267932 /nfs/dbraw/zinc/26/79/32/405267932.db2.gz JYTPBCPZAZDKJU-JQWIXIFHSA-N 0 0 321.333 2.170 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(Cc2ccn(Cc3ccccc3)n2)C1=O ZINC000419933157 405272983 /nfs/dbraw/zinc/27/29/83/405272983.db2.gz AMZVBUDXTKKVIC-INIZCTEOSA-N 0 0 324.384 2.318 10 30 DEEERN C=CCCn1cc(C(=O)N[C@H]2C[C@@]2(F)c2ccccc2)nn1 ZINC000424982446 405223883 /nfs/dbraw/zinc/22/38/83/405223883.db2.gz OHYSNIUCLNMNNO-GOEBONIOSA-N 0 0 300.337 2.221 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccccc1OCCOCC ZINC000452925310 405260267 /nfs/dbraw/zinc/26/02/67/405260267.db2.gz HQCUFRPAXKPVQE-CABCVRRESA-N 0 0 305.374 2.175 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)CCC(C)(C)C ZINC000425886510 405326486 /nfs/dbraw/zinc/32/64/86/405326486.db2.gz MPUGHDOEJQAKLZ-RDBSUJKOSA-N 0 0 310.438 2.025 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)CC1CCCCC1 ZINC000425885988 405326736 /nfs/dbraw/zinc/32/67/36/405326736.db2.gz LVPJJZXOWUECTK-KBMXLJTQSA-N 0 0 322.449 2.169 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)Nc1ccc(N2CCCC2)nc1 ZINC000454337916 405331753 /nfs/dbraw/zinc/33/17/53/405331753.db2.gz ITDNMNUTFLJZSR-AWEZNQCLSA-N 0 0 304.394 2.130 10 30 DEEERN C=CC[C@H]1N(C(=O)N[C@@H]2CCC(=O)N(C)C2)CCCC1(C)C ZINC000445151710 405346728 /nfs/dbraw/zinc/34/67/28/405346728.db2.gz TUTOCRXZQVZTDV-ZIAGYGMSSA-N 0 0 307.438 2.384 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)Oc1ccccc1 ZINC000425444988 405291545 /nfs/dbraw/zinc/29/15/45/405291545.db2.gz CPLXCBMWGRSTEE-YCPHGPKFSA-N 0 0 304.390 2.344 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](COC)Cc1ccccc1 ZINC000425483638 405297829 /nfs/dbraw/zinc/29/78/29/405297829.db2.gz RSWWHVLEMZYCRB-ULQDDVLXSA-N 0 0 318.417 2.134 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@](C)(OC)c1ccccc1 ZINC000425593228 405305767 /nfs/dbraw/zinc/30/57/67/405305767.db2.gz WJGMDKBABJSLAO-QILLFSRXSA-N 0 0 318.417 2.439 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N(C)Cc1cc(OC)cc(OC)c1 ZINC000448671856 405433814 /nfs/dbraw/zinc/43/38/14/405433814.db2.gz WQRXPNPLXUXENF-CVEARBPZSA-N 0 0 305.374 2.253 10 30 DEEERN CN(CCCc1nc2ccccc2[nH]1)C(=O)c1ccc(C#N)n1C ZINC000448809741 405450685 /nfs/dbraw/zinc/45/06/85/405450685.db2.gz HANCEWISNOZHLU-UHFFFAOYSA-N 0 0 321.384 2.478 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc2c(ccnc2OC)c1 ZINC000455808494 405452870 /nfs/dbraw/zinc/45/28/70/405452870.db2.gz APBPGEQFWAZZAN-CYBMUJFWSA-N 0 0 301.346 2.302 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000448880831 405458697 /nfs/dbraw/zinc/45/86/97/405458697.db2.gz GIXUVJKTTJDLPE-MRXNPFEDSA-N 0 0 313.332 2.250 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000633295436 405556359 /nfs/dbraw/zinc/55/63/59/405556359.db2.gz OKSXSXBLFNOKGB-KBPBESRZSA-N 0 0 307.438 2.431 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC000456775205 405560535 /nfs/dbraw/zinc/56/05/35/405560535.db2.gz KLWSLESEYNGIEM-LBPRGKRZSA-N 0 0 318.373 2.242 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1nc(-c2ccco2)c(C)s1 ZINC000635798321 405512986 /nfs/dbraw/zinc/51/29/86/405512986.db2.gz ZCALCRUJHFRHEZ-LLVKDONJSA-N 0 0 306.387 2.307 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000633233221 405518867 /nfs/dbraw/zinc/51/88/67/405518867.db2.gz XPZRJGOASNTRPU-GFCCVEGCSA-N 0 0 316.467 2.244 10 30 DEEERN CC#CCCNC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000458650772 405523834 /nfs/dbraw/zinc/52/38/34/405523834.db2.gz INDUTDAYKPITCX-SECBINFHSA-N 0 0 311.183 2.013 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)Cc1c(C)nn(CC)c1C ZINC000633284767 405548051 /nfs/dbraw/zinc/54/80/51/405548051.db2.gz ZBNKXSBJGSAPEE-CVEARBPZSA-N 0 0 320.437 2.395 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NCC1([C@@H]2CCCCO2)CCC1 ZINC000633293452 405555138 /nfs/dbraw/zinc/55/51/38/405555138.db2.gz BPGKHCFJHHRFCX-ILXRZTDVSA-N 0 0 308.422 2.369 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000633411144 405628680 /nfs/dbraw/zinc/62/86/80/405628680.db2.gz YOOVSOGBVHMNOI-UONOGXRCSA-N 0 0 307.438 2.289 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N(C)Cc1cnccc1C ZINC000580095461 405585887 /nfs/dbraw/zinc/58/58/87/405585887.db2.gz UXTYRLZBVXHTAX-UHFFFAOYSA-N 0 0 303.406 2.211 10 30 DEEERN C=CCC(C)(C)CNC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000458810166 405603793 /nfs/dbraw/zinc/60/37/93/405603793.db2.gz MCPZYZXCGVSQDL-HUUCEWRRSA-N 0 0 324.465 2.456 10 30 DEEERN C=CCCCNC(=O)N[C@@H]1CCCc2cn(CCOC)nc21 ZINC000580617886 405656186 /nfs/dbraw/zinc/65/61/86/405656186.db2.gz VTFNWMCKRSLDCE-CQSZACIVSA-N 0 0 306.410 2.172 10 30 DEEERN C=CCn1cc(CNC(=O)[C@H]2Cc3ccc(Cl)cc32)nn1 ZINC000633487188 405672396 /nfs/dbraw/zinc/67/23/96/405672396.db2.gz SCXMOKRYAKAXIP-AWEZNQCLSA-N 0 0 302.765 2.074 10 30 DEEERN C=CC(C)(C)CNC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000458989849 405680095 /nfs/dbraw/zinc/68/00/95/405680095.db2.gz QNJIZLGCHAQVOB-OAHLLOKOSA-N 0 0 317.433 2.197 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000633422984 405637465 /nfs/dbraw/zinc/63/74/65/405637465.db2.gz PREMZLRSGHNPDQ-UHFFFAOYSA-N 0 0 309.454 2.489 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCCS1(=O)=O ZINC000636028244 405691168 /nfs/dbraw/zinc/69/11/68/405691168.db2.gz LAIREFCZONXNDH-CVEARBPZSA-N 0 0 321.442 2.257 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@]1(C)CCN(C)C1=O ZINC000636029341 405692728 /nfs/dbraw/zinc/69/27/28/405692728.db2.gz WIRCGYHPPYCDIQ-YJBOKZPZSA-N 0 0 300.402 2.158 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C1 ZINC000633641015 405761242 /nfs/dbraw/zinc/76/12/42/405761242.db2.gz GOXJPUXKYGAAJZ-HUUCEWRRSA-N 0 0 304.434 2.102 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(C)c(N2CCOCC2)c1 ZINC000633628093 405754385 /nfs/dbraw/zinc/75/43/85/405754385.db2.gz IHPOFVKOICKGQM-UHFFFAOYSA-N 0 0 318.417 2.154 10 30 DEEERN C=CCOC[C@H](NC(=O)[C@H]1CCCC[C@H]1C1CC1)C(=O)OC ZINC000583567134 405762854 /nfs/dbraw/zinc/76/28/54/405762854.db2.gz IROCTWWEXLMWSD-KKUMJFAQSA-N 0 0 309.406 2.063 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000459125038 405760010 /nfs/dbraw/zinc/76/00/10/405760010.db2.gz VUMWBGZLXVGZEB-ONGXEEELSA-N 0 0 314.307 2.327 10 30 DEEERN C=C1CC(C)(C(=O)Nc2cc(-c3cccnc3)nn2CCO)C1 ZINC000633666359 405777330 /nfs/dbraw/zinc/77/73/30/405777330.db2.gz PXKQEQIFLTVJQI-UHFFFAOYSA-N 0 0 312.373 2.232 10 30 DEEERN C=CCN1C(=O)N=NC1SCC(=O)[C@H]1Cc2ccccc21 ZINC000530283966 405778856 /nfs/dbraw/zinc/77/88/56/405778856.db2.gz ARLULSDTQMKIIC-LBPRGKRZSA-N 0 0 301.371 2.171 10 30 DEEERN C=C[C@@](C)(O)C(=O)NCCCc1nc(-c2ccccn2)cs1 ZINC000636153675 405778833 /nfs/dbraw/zinc/77/88/33/405778833.db2.gz IPZYXZNAUOXZHE-MRXNPFEDSA-N 0 0 317.414 2.191 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCC=C(c2cnn(C)c2)C1)OCC ZINC000636165320 405786941 /nfs/dbraw/zinc/78/69/41/405786941.db2.gz ADZMSWGGRACNFZ-INIZCTEOSA-N 0 0 303.406 2.407 10 30 DEEERN C=C1CC(C)(C(=O)NCC[C@@H](O)COCc2ccccc2)C1 ZINC000633697089 405794760 /nfs/dbraw/zinc/79/47/60/405794760.db2.gz OJZHFJAVPHXNAF-MRXNPFEDSA-N 0 0 303.402 2.427 10 30 DEEERN C=CCCOCC(=O)N[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633749929 405819586 /nfs/dbraw/zinc/81/95/86/405819586.db2.gz YRTCBLZJXYPUOM-CYBMUJFWSA-N 0 0 317.307 2.448 10 30 DEEERN COc1ccc(CCNC(=O)Cc2cccc(C#N)c2)cc1OC ZINC000530909217 405879411 /nfs/dbraw/zinc/87/94/11/405879411.db2.gz YVQFZXSBDQRLFP-UHFFFAOYSA-N 0 0 324.380 2.477 10 30 DEEERN C=CCCn1cc(C(=O)NC[C@@]2(O)CCCC(C)(C)CC2)nn1 ZINC000633887748 405890677 /nfs/dbraw/zinc/89/06/77/405890677.db2.gz IVYAXUIJRAOJQL-QGZVFWFLSA-N 0 0 320.437 2.305 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1nnn(-c2ccn(C)n2)c1C ZINC000633965997 405933509 /nfs/dbraw/zinc/93/35/09/405933509.db2.gz AUVHEDJRABGSMD-UHFFFAOYSA-N 0 0 316.409 2.031 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC000633963895 405933703 /nfs/dbraw/zinc/93/37/03/405933703.db2.gz WELMVUGRCZGZRW-UHFFFAOYSA-N 0 0 301.394 2.463 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1csc(S(N)(=O)=O)c1 ZINC000633963422 405933803 /nfs/dbraw/zinc/93/38/03/405933803.db2.gz JOVPAXCFCKMEGS-UHFFFAOYSA-N 0 0 316.448 2.118 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CC[C@@H](COc2ccccc2)C1 ZINC000450507829 405934319 /nfs/dbraw/zinc/93/43/19/405934319.db2.gz VPGGVNYQZOABCB-CQSZACIVSA-N 0 0 309.369 2.438 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H](C[C@@H](C)O)c2ccccc2)C1=O ZINC000630978859 405950438 /nfs/dbraw/zinc/95/04/38/405950438.db2.gz NDBAOYOGJXVRLU-KBMXLJTQSA-N 0 0 316.401 2.428 10 30 DEEERN C=CCCCN(C)C(=O)C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000457570464 405900331 /nfs/dbraw/zinc/90/03/31/405900331.db2.gz BPJSALUQGSDNMD-ZDUSSCGKSA-N 0 0 323.414 2.036 10 30 DEEERN CC(=O)Nc1ccccc1CNC(=O)Cc1cccc(C#N)c1 ZINC000531153248 405917292 /nfs/dbraw/zinc/91/72/92/405917292.db2.gz RZLHHOHTOROJNV-UHFFFAOYSA-N 0 0 307.353 2.376 10 30 DEEERN C=CCOCCCC(=O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000434053862 406014797 /nfs/dbraw/zinc/01/47/97/406014797.db2.gz PQNVDZDHDSHLNC-DGCLKSJQSA-N 0 0 309.328 2.131 10 30 DEEERN C=C[C@@H]1CCCCN1Cc1nc(-c2cc(OC)ncn2)no1 ZINC000562534895 406028521 /nfs/dbraw/zinc/02/85/21/406028521.db2.gz JVVSMAJDOBBVMU-LLVKDONJSA-N 0 0 301.350 2.076 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc(F)c(F)c1 ZINC000636506337 405992049 /nfs/dbraw/zinc/99/20/49/405992049.db2.gz MYDPQUKOUMYCEN-UHFFFAOYSA-N 0 0 310.344 2.300 10 30 DEEERN C=CCCn1cc(C(=O)NCC2([C@H]3CCCCO3)CCC2)nn1 ZINC000634332162 406102209 /nfs/dbraw/zinc/10/22/09/406102209.db2.gz KOHZFTUHORBVQU-OAHLLOKOSA-N 0 0 318.421 2.323 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCc1nc(C)c(C)s1 ZINC000636759082 406074032 /nfs/dbraw/zinc/07/40/32/406074032.db2.gz WFMFIPARLNDHNI-UHFFFAOYSA-N 0 0 323.462 2.137 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000636763758 406074487 /nfs/dbraw/zinc/07/44/87/406074487.db2.gz XHXDHSQQCDOJDJ-GOEBONIOSA-N 0 0 313.401 2.400 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)[C@]1(COC)CCOC1 ZINC000460072877 406078044 /nfs/dbraw/zinc/07/80/44/406078044.db2.gz XTJHECRTAGKFTG-SFHVURJKSA-N 0 0 303.402 2.297 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1ncc(C)s1 ZINC000636779489 406079764 /nfs/dbraw/zinc/07/97/64/406079764.db2.gz VWQMZRJRGOCOKE-UHFFFAOYSA-N 0 0 309.435 2.176 10 30 DEEERN C=C(C)CN(C)C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000479316618 406163085 /nfs/dbraw/zinc/16/30/85/406163085.db2.gz QOSYRWCBXUHIPR-LLVKDONJSA-N 0 0 308.328 2.352 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)c1nnc(C)s1 ZINC000636866607 406105716 /nfs/dbraw/zinc/10/57/16/406105716.db2.gz DMPTYEZMPBEYFG-SNVBAGLBSA-N 0 0 324.450 2.132 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)Cc1ccncc1 ZINC000632381289 406115582 /nfs/dbraw/zinc/11/55/82/406115582.db2.gz YSOGOYIELHLUNS-UHFFFAOYSA-N 0 0 303.406 2.149 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1Cn1cccn1 ZINC000567694923 406121227 /nfs/dbraw/zinc/12/12/27/406121227.db2.gz DXLFZXDFWCDZQW-YOEHRIQHSA-N 0 0 311.385 2.252 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCOC3(CCOCC3)C2)C1 ZINC000636946421 406130262 /nfs/dbraw/zinc/13/02/62/406130262.db2.gz NONKGEZXXMTWFJ-CABCVRRESA-N 0 0 308.422 2.322 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NC1CCC(COC)CC1 ZINC000636965625 406135285 /nfs/dbraw/zinc/13/52/85/406135285.db2.gz SJRRIQIBHGSSFH-UHFFFAOYSA-N 0 0 310.438 2.026 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000637012005 406149903 /nfs/dbraw/zinc/14/99/03/406149903.db2.gz FMSMYIACAYQASA-ZIAGYGMSSA-N 0 0 310.438 2.169 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C ZINC000567901003 406158484 /nfs/dbraw/zinc/15/84/84/406158484.db2.gz VFOBBTDXDPOJQW-MELADBBJSA-N 0 0 311.422 2.308 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000632589215 406191878 /nfs/dbraw/zinc/19/18/78/406191878.db2.gz IBJFTWOMNUXKJS-UHFFFAOYSA-N 0 0 311.329 2.309 10 30 DEEERN C=CCOc1ccc(C(=O)NC2(CC(=O)OC)CC2)cc1OC ZINC000568095817 406192368 /nfs/dbraw/zinc/19/23/68/406192368.db2.gz MQICTZJPPGKVFC-UHFFFAOYSA-N 0 0 319.357 2.086 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[C@](C)(OC)C1 ZINC000632619983 406203909 /nfs/dbraw/zinc/20/39/09/406203909.db2.gz XBIOEBQVZAGBRQ-KRWDZBQOSA-N 0 0 310.438 2.123 10 30 DEEERN C=CCC1(CNC(=O)N2C[C@H](OC)C[C@]2(C)CO)CCCC1 ZINC000637197207 406208468 /nfs/dbraw/zinc/20/84/68/406208468.db2.gz CMPIEABAIPSCGF-GDBMZVCRSA-N 0 0 310.438 2.304 10 30 DEEERN C=CC[C@H]1CCCN(C(=O)C(=O)N2CCC(CCF)CC2)C1 ZINC000632659707 406218374 /nfs/dbraw/zinc/21/83/74/406218374.db2.gz MPHMAPJJICWMGN-HNNXBMFYSA-N 0 0 310.413 2.399 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CCO ZINC000632663139 406219473 /nfs/dbraw/zinc/21/94/73/406219473.db2.gz VIHYIMKCFKCDCX-GJZGRUSLSA-N 0 0 324.465 2.105 10 30 DEEERN C=CCCCCCNC(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC000568880041 406222452 /nfs/dbraw/zinc/22/24/52/406222452.db2.gz FVRAIULJMSFQAI-UHFFFAOYSA-N 0 0 324.446 2.136 10 30 DEEERN C=CCOCCCNC(=O)N1CCc2nc(C3CC3)ncc2C1 ZINC000637276252 406238905 /nfs/dbraw/zinc/23/89/05/406238905.db2.gz YZCVCMCLWWNSTA-UHFFFAOYSA-N 0 0 316.405 2.014 10 30 DEEERN C=CC(C)(C)CCNC(=O)NC[C@@H](O)COc1ccc(F)cc1 ZINC000637320760 406257527 /nfs/dbraw/zinc/25/75/27/406257527.db2.gz QUPSMLCQAWUATF-CQSZACIVSA-N 0 0 324.396 2.467 10 30 DEEERN C=CC(C)(C)CCNC(=O)N(CCC)[C@H]1CCS(=O)(=O)C1 ZINC000637322246 406257684 /nfs/dbraw/zinc/25/76/84/406257684.db2.gz UMENVILPQBQRGM-ZDUSSCGKSA-N 0 0 316.467 2.197 10 30 DEEERN CC#CC[C@H](CO)NC(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000637477518 406322578 /nfs/dbraw/zinc/32/25/78/406322578.db2.gz IAAXLDPTTCZRLY-YONQAEKCSA-N 0 0 318.804 2.052 10 30 DEEERN C[C@@H](C(=O)NCc1c(Cl)cccc1Cl)n1cnc(C#N)n1 ZINC000545966489 406338754 /nfs/dbraw/zinc/33/87/54/406338754.db2.gz YTSQVWDABCDOCW-QMMMGPOBSA-N 0 0 324.171 2.334 10 30 DEEERN N#Cc1cccc(CC(=O)NCC[C@@H]2COc3ccccc3O2)c1 ZINC000570222973 406363832 /nfs/dbraw/zinc/36/38/32/406363832.db2.gz WARKPQMAJNXFMJ-MRXNPFEDSA-N 0 0 322.364 2.447 10 30 DEEERN CC#CC[C@H](CO)NC(=O)N[C@H]1CC[C@H](OCCC(C)C)CC1 ZINC000637413209 406299321 /nfs/dbraw/zinc/29/93/21/406299321.db2.gz MLBRYLCPXXESFS-BRWVUGGUSA-N 0 0 324.465 2.434 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)N[C@H]1C[C@H](Sc2ccccc2)C1 ZINC000637705195 406398609 /nfs/dbraw/zinc/39/86/09/406398609.db2.gz LJKURPVTARWDOK-DZKIICNBSA-N 0 0 318.442 2.383 10 30 DEEERN C=CCCCS(=O)(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000489464137 406409270 /nfs/dbraw/zinc/40/92/70/406409270.db2.gz OJCUKTGARDWXLB-HNNXBMFYSA-N 0 0 322.430 2.068 10 30 DEEERN C=CCCCS(=O)(=O)N1CCc2cc(OC)c(F)cc2C1 ZINC000489718658 406427631 /nfs/dbraw/zinc/42/76/31/406427631.db2.gz RWWWUPIHANLEPK-UHFFFAOYSA-N 0 0 313.394 2.488 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1c2c(ccc1F)OCO2 ZINC000635146681 406440205 /nfs/dbraw/zinc/44/02/05/406440205.db2.gz UFKBXMXSQMLHJA-SNVBAGLBSA-N 0 0 320.320 2.060 10 30 DEEERN C=CCC(C)(C)CNC(=O)C(=O)Nc1c2c(ccc1F)OCO2 ZINC000635177916 406450456 /nfs/dbraw/zinc/45/04/56/406450456.db2.gz WYKPTIZICOUPOP-UHFFFAOYSA-N 0 0 322.336 2.211 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccnn1CC1CCC1 ZINC000635214375 406462027 /nfs/dbraw/zinc/46/20/27/406462027.db2.gz GHNJRBPMHPINPS-UHFFFAOYSA-N 0 0 318.421 2.340 10 30 DEEERN C=CCCC(C)(C)NC(=O)C(=O)Nc1ccnn1CC1CCC1 ZINC000635214528 406462366 /nfs/dbraw/zinc/46/23/66/406462366.db2.gz UXBZHCBWOLHDJG-UHFFFAOYSA-N 0 0 318.421 2.483 10 30 DEEERN CN(Cc1ccc(C#N)cn1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000572073094 406602282 /nfs/dbraw/zinc/60/22/82/406602282.db2.gz JKKYWAOHZUZYBW-KRWDZBQOSA-N 0 0 324.359 2.330 10 30 DEEERN N#Cc1cc(O)c(I)cc1OC(F)F ZINC000575661457 406816287 /nfs/dbraw/zinc/81/62/87/406816287.db2.gz GNWIRYGBQWZFJE-UHFFFAOYSA-N 0 0 311.025 2.470 10 30 DEEERN N#Cc1cc(OC(F)F)c(O)cc1I ZINC000575662211 406817459 /nfs/dbraw/zinc/81/74/59/406817459.db2.gz UAYKPUFXMITGSN-UHFFFAOYSA-N 0 0 311.025 2.470 10 30 DEEERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(C#N)c1OC(F)F ZINC000575387155 406808032 /nfs/dbraw/zinc/80/80/32/406808032.db2.gz BFFVNCHSPUEEPK-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN CCOC(=O)Cc1cc(C#N)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575387220 406808164 /nfs/dbraw/zinc/80/81/64/406808164.db2.gz CPDWCPOEGXBMFZ-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN CCOC(=O)Cc1c(C#N)ccc(C=O)c1OC(F)(F)F ZINC000575391612 406808937 /nfs/dbraw/zinc/80/89/37/406808937.db2.gz XNFGBRVDKRCAMU-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN COC(=O)Cc1ccc(C#N)c([N+](=O)[O-])c1OC(F)(F)F ZINC000575395751 406809018 /nfs/dbraw/zinc/80/90/18/406809018.db2.gz PBEWDKKTOCWQTJ-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN CCOc1cc(I)c(N)c(CC#N)c1 ZINC000575718478 406823625 /nfs/dbraw/zinc/82/36/25/406823625.db2.gz VEBVCTMDLPRLPO-UHFFFAOYSA-N 0 0 302.115 2.338 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1cnc(C(C)C)nc1 ZINC000576631785 406832604 /nfs/dbraw/zinc/83/26/04/406832604.db2.gz OPULTKPBBQJDMR-GJZGRUSLSA-N 0 0 318.421 2.333 10 30 DEEERN COCC[C@H](C)NC(=O)c1ccc(C#CCCO)c(Cl)c1 ZINC000128935926 196005321 /nfs/dbraw/zinc/00/53/21/196005321.db2.gz ISIHPYSTCRVMBV-LBPRGKRZSA-N 0 0 309.793 2.229 10 30 DEEERN CC#CC[C@H](NN)c1ccc(I)cc1 ZINC000129434335 196048875 /nfs/dbraw/zinc/04/88/75/196048875.db2.gz GWYLNEZXRZTQLO-NSHDSACASA-N 0 0 300.143 2.209 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000130601305 196094164 /nfs/dbraw/zinc/09/41/64/196094164.db2.gz WOIRBBIJXDRLDX-UHFFFAOYSA-N 0 0 303.362 2.008 10 30 DEEERN CN(c1cccc(C#N)c1)S(=O)(=O)c1ccc(N)c(F)c1 ZINC000131018162 196132729 /nfs/dbraw/zinc/13/27/29/196132729.db2.gz FLOOTMZLTMCWOT-UHFFFAOYSA-N 0 0 305.334 2.105 10 30 DEEERN C=CCN(CCC)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000131264459 196154879 /nfs/dbraw/zinc/15/48/79/196154879.db2.gz NZTSLXYCRBGXJN-UHFFFAOYSA-N 0 0 302.327 2.321 10 30 DEEERN CCCCS(=O)(=O)Nc1cc(Cl)ccc1C#CCO ZINC000131979769 196215907 /nfs/dbraw/zinc/21/59/07/196215907.db2.gz XSMUTLWVINZINZ-UHFFFAOYSA-N 0 0 301.795 2.226 10 30 DEEERN C=CCN(CC=C)C(=O)CNc1ccc(C)c(S(C)(=O)=O)c1 ZINC000134903681 196430115 /nfs/dbraw/zinc/43/01/15/196430115.db2.gz GUHHZTXZXSOWPF-UHFFFAOYSA-N 0 0 322.430 2.011 10 30 DEEERN CN(C(=O)NCCCCC#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000174726587 224788539 /nfs/dbraw/zinc/78/85/39/224788539.db2.gz PBCNNEALIUAEKD-HNNXBMFYSA-N 0 0 314.389 2.127 10 30 DEEERN Cc1cc(C(=O)N[C@H](C#N)C2CCCCC2)c2cnn(C)c2n1 ZINC000176587854 224823348 /nfs/dbraw/zinc/82/33/48/224823348.db2.gz SMYCQNULRBVDGD-OAHLLOKOSA-N 0 0 311.389 2.479 10 30 DEEERN Cn1cc(CCCNC(=O)c2ccc(C3(C#N)CC3)cc2)cn1 ZINC000180223035 224894040 /nfs/dbraw/zinc/89/40/40/224894040.db2.gz GIAZNGAQNLTLJT-UHFFFAOYSA-N 0 0 308.385 2.338 10 30 DEEERN C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)NC(C)(C)C ZINC000188778424 225034751 /nfs/dbraw/zinc/03/47/51/225034751.db2.gz KKGUGSWUZIZVSD-GFCCVEGCSA-N 0 0 313.401 2.009 10 30 DEEERN CS(=O)(=O)C[C@H](NCC#Cc1ccccc1)c1ccccc1 ZINC000192162135 225127112 /nfs/dbraw/zinc/12/71/12/225127112.db2.gz DFZDIKOJFWJAJA-SFHVURJKSA-N 0 0 313.422 2.414 10 30 DEEERN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@@H]1C ZINC000247145342 225231283 /nfs/dbraw/zinc/23/12/83/225231283.db2.gz NDMHBYPBAYPOKD-NTZNESFSSA-N 0 0 317.414 2.401 10 30 DEEERN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)Nc1cncc(C)c1 ZINC000328642253 225777194 /nfs/dbraw/zinc/77/71/94/225777194.db2.gz YJJJDSGRZWKCPW-KBPBESRZSA-N 0 0 315.377 2.272 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000329822063 225933631 /nfs/dbraw/zinc/93/36/31/225933631.db2.gz HGFDHLQUHMTPCO-SWLSCSKDSA-N 0 0 318.398 2.176 10 30 DEEERN C[C@]1(C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)CCCOC1 ZINC000329979818 225951842 /nfs/dbraw/zinc/95/18/42/225951842.db2.gz KHLUNGRYFBKAAS-XEZPLFJOSA-N 0 0 322.384 2.167 10 30 DEEERN CCn1nccc1C1CCN(C(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000333200525 226103154 /nfs/dbraw/zinc/10/31/54/226103154.db2.gz YYJBUPGIBGFIKK-GJZGRUSLSA-N 0 0 315.421 2.484 10 30 DEEERN Cc1ccc([C@H]2CCCN2S(=O)(=O)N(C)C[C@@H](C)C#N)o1 ZINC000372586095 227095140 /nfs/dbraw/zinc/09/51/40/227095140.db2.gz OPXRYHRZAOQNPH-WCQYABFASA-N 0 0 311.407 2.061 10 30 DEEERN N#CC1(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)CCCCC1 ZINC000374753611 227138736 /nfs/dbraw/zinc/13/87/36/227138736.db2.gz TTYBPQRKIOMNTP-HUUCEWRRSA-N 0 0 320.433 2.144 10 30 DEEERN N#CCC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000375366084 227148025 /nfs/dbraw/zinc/14/80/25/227148025.db2.gz JCIPCHQQHHWSFN-GFCCVEGCSA-N 0 0 314.320 2.495 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NC(=O)C1CCN(CC(F)(F)F)CC1 ZINC000408151283 227227850 /nfs/dbraw/zinc/22/78/50/227227850.db2.gz PKFZZCNZOJYAEC-NEPJUHHUSA-N 0 0 303.328 2.069 10 30 DEEERN N#Cc1cc(Br)cnc1NCC[C@H](O)C(F)F ZINC000601222823 422422861 /nfs/dbraw/zinc/42/28/61/422422861.db2.gz RLMMMVJQPSEWLZ-QMMMGPOBSA-N 0 0 306.110 2.144 10 30 DEEERN Cc1c(NC(=O)Cc2cccc(C#N)c2)cccc1-n1cnnn1 ZINC000531154998 269905805 /nfs/dbraw/zinc/90/58/05/269905805.db2.gz BVZNYCPNPKNAIT-UHFFFAOYSA-N 0 0 318.340 2.024 10 30 DEEERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1nn(C)cc1C#N ZINC000619320082 422529408 /nfs/dbraw/zinc/52/94/08/422529408.db2.gz HLWHOGJAAJFTGT-APPZFPTMSA-N 0 0 301.272 2.096 10 30 DEEERN N#Cc1nc(NC[C@@H]2CC(=O)N(C3CC3)C2)ccc1C(F)(F)F ZINC000619697640 422531789 /nfs/dbraw/zinc/53/17/89/422531789.db2.gz JOSQOIBORGMUJU-VIFPVBQESA-N 0 0 324.306 2.395 10 30 DEEERN C=CCC(CC=C)C(=O)N1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000367121492 424866769 /nfs/dbraw/zinc/86/67/69/424866769.db2.gz PJCZEYXGJAWXCA-CQSZACIVSA-N 0 0 300.406 2.533 10 30 DEEERN CCOC(=O)CC[C@H]1CCCN(C(=O)c2ccnc(C#N)c2)C1 ZINC000193659687 424870067 /nfs/dbraw/zinc/87/00/67/424870067.db2.gz FDBXNAFLDBYRJA-CYBMUJFWSA-N 0 0 315.373 2.149 10 30 DEEERN N#Cc1cc(C(=O)NCc2nc(-c3ccccc3)c[nH]2)ccn1 ZINC000195326756 424882146 /nfs/dbraw/zinc/88/21/46/424882146.db2.gz LUBOPUHBNIDSNI-UHFFFAOYSA-N 0 0 303.325 2.273 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1ncnc2cc(F)c(OC)cc21 ZINC000571757102 424932654 /nfs/dbraw/zinc/93/26/54/424932654.db2.gz SAPYPRGXMUISJX-HZMBPMFUSA-N 0 0 303.337 2.781 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000572312174 424934429 /nfs/dbraw/zinc/93/44/29/424934429.db2.gz IVESYVUFKIKJSJ-SNVBAGLBSA-N 0 0 318.406 2.809 10 30 DEEERN C=CCCOCCNC(=O)Nc1cc(C)n([C@H](C)C2CC2)n1 ZINC000345182716 424994491 /nfs/dbraw/zinc/99/44/91/424994491.db2.gz UMLKAVYGCOWONL-CYBMUJFWSA-N 0 0 306.410 2.877 10 30 DEEERN C=CC(C)(C)C(=O)Nc1ccn([C@@H](CCC)C(=O)OCC)n1 ZINC000598121620 425036754 /nfs/dbraw/zinc/03/67/54/425036754.db2.gz ZACJEVVXSWBOSZ-LBPRGKRZSA-N 0 0 307.394 2.938 10 30 DEEERN C=CCOc1ccccc1CNc1nnc(-c2nccn2C)o1 ZINC000446968688 425050970 /nfs/dbraw/zinc/05/09/70/425050970.db2.gz ZEURVCIAFCFCIS-UHFFFAOYSA-N 0 0 311.345 2.647 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](CCO)c1ccco1 ZINC000187814250 267205398 /nfs/dbraw/zinc/20/53/98/267205398.db2.gz ADYBTADSBUMUPZ-GXTWGEPZSA-N 0 0 314.341 2.158 10 30 DEEERN N#Cc1cccc(CC(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)c1 ZINC000530910711 268277827 /nfs/dbraw/zinc/27/78/27/268277827.db2.gz JIPLQYUEGUVFCP-INIZCTEOSA-N 0 0 307.353 2.395 10 30 DEEERN C#C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)C(C)C ZINC000370246825 275720292 /nfs/dbraw/zinc/72/02/92/275720292.db2.gz JBVDQFANXGTBRQ-YQQAZPJKSA-N 0 0 316.376 2.119 10 30 DEEERN C=CCOc1ccccc1CN1CCS(=O)(=O)C[C@@H](C)C1 ZINC000433027325 276906421 /nfs/dbraw/zinc/90/64/21/276906421.db2.gz UYEVRDPUGJKQFK-AWEZNQCLSA-N 0 0 309.431 2.118 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC(C)(C)C[C@H]1C ZINC000425893020 276919822 /nfs/dbraw/zinc/91/98/22/276919822.db2.gz RQGYFSWFMZNITI-QPSCCSFWSA-N 0 0 322.449 2.025 10 30 DEEERN CC(C)(C)n1ncc2c1ncn(CC#Cc1ccccc1)c2=O ZINC000188081257 277288552 /nfs/dbraw/zinc/28/85/52/277288552.db2.gz ISYRCYICNYSUOR-UHFFFAOYSA-N 0 0 306.369 2.400 10 30 DEEERN C#CCCCCC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000180395365 277671625 /nfs/dbraw/zinc/67/16/25/277671625.db2.gz NILNNFWJYVZFNV-GJZGRUSLSA-N 0 0 305.374 2.124 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000366238665 277828650 /nfs/dbraw/zinc/82/86/50/277828650.db2.gz FBCXTBYHWLULIX-CVEARBPZSA-N 0 0 309.454 2.237 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000459804951 277843866 /nfs/dbraw/zinc/84/38/66/277843866.db2.gz DTKQGAHYPVDYCA-UHFFFAOYSA-N 0 0 320.433 2.137 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)OC)C1 ZINC000375384612 277907669 /nfs/dbraw/zinc/90/76/69/277907669.db2.gz PFEGCAUKRVGQRG-FHLIZLRMSA-N 0 0 323.433 2.407 10 30 DEEERN CC(C)[C@H](O)CC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000178899484 277922489 /nfs/dbraw/zinc/92/24/89/277922489.db2.gz YCMMAOMTMPESDP-QGZVFWFLSA-N 0 0 315.417 2.004 10 30 DEEERN CC1(C)CN(c2ccc([N+](=O)[O-])cc2C#N)C[C@@]2(CCOC2)O1 ZINC000373686329 278343520 /nfs/dbraw/zinc/34/35/20/278343520.db2.gz XEZZNIQGUUEYCG-MRXNPFEDSA-N 0 0 317.345 2.241 10 30 DEEERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000329877761 279019792 /nfs/dbraw/zinc/01/97/92/279019792.db2.gz JTKGSVQUXKHGCF-MZMPZRCHSA-N 0 0 316.401 2.325 10 30 DEEERN C[C@H](NC(=O)Nc1nc2c(s1)C[C@H](C)CC2)c1nc[nH]n1 ZINC000329277618 279180861 /nfs/dbraw/zinc/18/08/61/279180861.db2.gz JJHKFXNOSKETOE-SFYZADRCSA-N 0 0 306.395 2.473 10 30 DEEERN CC1(C)CN(Cc2ccc(F)cc2C#N)C[C@@]2(CCOC2)O1 ZINC000376129700 281246546 /nfs/dbraw/zinc/24/65/46/281246546.db2.gz ICAJQJMLPUCPJC-QGZVFWFLSA-N 0 0 304.365 2.467 10 30 DEEERN C[C@H]1CN(C(=O)c2cc(C#N)cn2C)[C@@H](c2ccccc2)CO1 ZINC000081550691 300184007 /nfs/dbraw/zinc/18/40/07/300184007.db2.gz NBUPMMCBXOFCKQ-SUMWQHHRSA-N 0 0 309.369 2.499 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCS[C@@H]2COCC[C@@H]21 ZINC000133505842 301074414 /nfs/dbraw/zinc/07/44/14/301074414.db2.gz IRRAUMJROJGKKI-LSDHHAIUSA-N 0 0 302.399 2.213 10 30 DEEERN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000329971315 303509711 /nfs/dbraw/zinc/50/97/11/303509711.db2.gz XRAQMRDEHQREHG-BARDWOONSA-N 0 0 304.394 2.144 10 30 DEEERN C=C(C)COc1cccc(NC(=O)[C@@H](O)C2CCOCC2)c1 ZINC000531053658 332233098 /nfs/dbraw/zinc/23/30/98/332233098.db2.gz UKSAAFYKWQYQIC-INIZCTEOSA-N 0 0 305.374 2.368 10 30 DEEERN C=C(C)COc1cccc(NC(=O)[C@H](O)C2CCOCC2)c1 ZINC000531053659 332233179 /nfs/dbraw/zinc/23/31/79/332233179.db2.gz UKSAAFYKWQYQIC-MRXNPFEDSA-N 0 0 305.374 2.368 10 30 DEEERN C=CCn1c(N(C)C[C@H]2CCCOC2)nnc1[C@]1(C)CCCO1 ZINC000562790915 332626265 /nfs/dbraw/zinc/62/62/65/332626265.db2.gz NDPDTKLEVAQKCK-PBHICJAKSA-N 0 0 320.437 2.353 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCC(C)(COC)CC1 ZINC000565315770 333344475 /nfs/dbraw/zinc/34/44/75/333344475.db2.gz YQAQGCAGLXDCCY-UHFFFAOYSA-N 0 0 310.438 2.124 10 30 DEEERN C=CCCCCCNC(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000571057558 333505462 /nfs/dbraw/zinc/50/54/62/333505462.db2.gz XFMBWBIJANPZDP-UHFFFAOYSA-N 0 0 307.438 2.433 10 30 DEEERN C=CCCCCCNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000563353950 333595266 /nfs/dbraw/zinc/59/52/66/333595266.db2.gz CDWBPXKMCPTWKQ-LLVKDONJSA-N 0 0 306.328 2.260 10 30 DEEERN C=CCC1(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)CCC1 ZINC000359174525 336661297 /nfs/dbraw/zinc/66/12/97/336661297.db2.gz KETKPBALHLRAIG-AWEZNQCLSA-N 0 0 318.392 2.332 10 30 DEEERN N#C[C@@H]1CN(C(=O)Cc2coc3ccccc23)CCN1C1CC1 ZINC000375803153 337019923 /nfs/dbraw/zinc/01/99/23/337019923.db2.gz ZBVUZQQEQBXGJH-OAHLLOKOSA-N 0 0 309.369 2.174 10 30 DEEERN C=CCn1c(N2CCO[C@H](C(C)C)C2)nnc1[C@]1(C)CCCO1 ZINC000582468748 337093989 /nfs/dbraw/zinc/09/39/89/337093989.db2.gz GCDZSTPOISICST-YOEHRIQHSA-N 0 0 320.437 2.351 10 30 DEEERN CCS(=O)(=O)Nc1ccc2c(c1)CCC(=O)[C@H]2[C@H](C)C#N ZINC000584602186 337371077 /nfs/dbraw/zinc/37/10/77/337371077.db2.gz ZUUVAZBUGCYNGV-BMIGLBTASA-N 0 0 306.387 2.207 10 30 DEEERN Cc1ccc(S(=O)(=O)[C@H](C#N)c2ncccc2[N+](=O)[O-])cc1 ZINC000584628856 337376473 /nfs/dbraw/zinc/37/64/73/337376473.db2.gz WSLURKCGEHLPMN-CYBMUJFWSA-N 0 0 317.326 2.337 10 30 DEEERN C=CC1CCN(C(=O)NCC(C)(C)C(=O)N2CCCC2)CC1 ZINC000528301043 337801239 /nfs/dbraw/zinc/80/12/39/337801239.db2.gz IHBIFBVAZCBDAY-UHFFFAOYSA-N 0 0 307.438 2.243 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)C[C@H](C)c1nccs1 ZINC000516458213 338012848 /nfs/dbraw/zinc/01/28/48/338012848.db2.gz PKPQUZWGXMBPFH-AVGNSLFASA-N 0 0 309.435 2.479 10 30 DEEERN C=C(CC)CNS(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000452047780 338751996 /nfs/dbraw/zinc/75/19/96/338751996.db2.gz ZTZNBYVFLKJTLE-UHFFFAOYSA-N 0 0 317.794 2.371 10 30 DEEERN C#C[C@@H](OC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)C1CC1 ZINC000187623954 340521463 /nfs/dbraw/zinc/52/14/63/340521463.db2.gz FXWPACCYOZHFRL-YNEHKIRRSA-N 0 0 311.353 2.289 10 30 DEEERN C=CCSCCNC(=O)NCCCc1nc(C(C)C)no1 ZINC000195467287 340580038 /nfs/dbraw/zinc/58/00/38/340580038.db2.gz CUBQJOBFSFHXLH-UHFFFAOYSA-N 0 0 312.439 2.344 10 30 DEEERN C=CCNS(=O)(=O)c1cccc(-c2nc([C@H]3C[C@@H]3C)no2)c1 ZINC000547188781 341200438 /nfs/dbraw/zinc/20/04/38/341200438.db2.gz BHPARZHIVIOJLQ-GWCFXTLKSA-N 0 0 319.386 2.324 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F ZINC000547400849 341211386 /nfs/dbraw/zinc/21/13/86/341211386.db2.gz SZHHKCFALHXFSL-VIFPVBQESA-N 0 0 319.327 2.324 10 30 DEEERN CCC(CC)CN(CCC#N)S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000248920086 341390146 /nfs/dbraw/zinc/39/01/46/341390146.db2.gz KQMWTMQJSGCWPH-JSGCOSHPSA-N 0 0 302.440 2.145 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC000565181661 341519508 /nfs/dbraw/zinc/51/95/08/341519508.db2.gz PESOGDUSXLGAGY-UHFFFAOYSA-N 0 0 301.268 2.250 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1Cc2ccccc2NC(=O)C1 ZINC000567122923 341581497 /nfs/dbraw/zinc/58/14/97/341581497.db2.gz VUNSRPOTNWRDSC-QGZVFWFLSA-N 0 0 302.374 2.196 10 30 DEEERN CC(C)N(CCc1nccs1)S(=O)(=O)CCCCC#N ZINC000155600295 341610125 /nfs/dbraw/zinc/61/01/25/341610125.db2.gz MYYRECGYKAPNEV-UHFFFAOYSA-N 0 0 315.464 2.420 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1cccc(OC)c1 ZINC000576480585 341848750 /nfs/dbraw/zinc/84/87/50/341848750.db2.gz YUXRKRBRUOPIGK-UHFFFAOYSA-N 0 0 304.390 2.174 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N(C)CCc1nccs1 ZINC000576886402 341868193 /nfs/dbraw/zinc/86/81/93/341868193.db2.gz KQIJTZPLKQTNBF-UHFFFAOYSA-N 0 0 309.435 2.007 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccnc1N1CCCC1 ZINC000577601142 341922189 /nfs/dbraw/zinc/92/21/89/341922189.db2.gz XPMODKQWYRHKOX-ZFWWWQNUSA-N 0 0 316.405 2.394 10 30 DEEERN CCOc1cccc(CCNc2nccc(C#N)c2[N+](=O)[O-])n1 ZINC000610755558 483936728 /nfs/dbraw/zinc/93/67/28/483936728.db2.gz UZRFDEDEVSGRQM-UHFFFAOYSA-N 0 0 313.317 2.310 10 30 DEEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2nn(C)c3ccccc3c2=O)C1 ZINC000408003358 533796407 /nfs/dbraw/zinc/79/64/07/533796407.db2.gz FLPSNXJNLHMHOB-KZULUSFZSA-N 0 0 324.384 2.136 10 30 DEEERN C[C@H](C#N)CN(C)C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000362816959 534288439 /nfs/dbraw/zinc/28/84/39/534288439.db2.gz GZMYOPQTQBKPTG-OLZOCXBDSA-N 0 0 303.362 2.018 10 30 DEEERN C=CCn1c(N(C)[C@@H]2CCSC2)nnc1[C@@]1(C)CCCO1 ZINC000453436430 534442377 /nfs/dbraw/zinc/44/23/77/534442377.db2.gz HWYHHZVPWYHICG-IUODEOHRSA-N 0 0 308.451 2.431 10 30 DEEERN CCC1(CC)CN(C(=O)c2ccc(C#N)c(O)c2)CC[S@]1=O ZINC000188822810 521689584 /nfs/dbraw/zinc/68/95/84/521689584.db2.gz YZVPZBQQOOLWTJ-QFIPXVFZSA-N 0 0 320.414 2.027 10 30 DEEERN N#CC1CCC(CNC(=O)NCCCN2CCCCC2=O)CC1 ZINC000441013451 534581500 /nfs/dbraw/zinc/58/15/00/534581500.db2.gz UNMXDFDLCBXNLJ-UHFFFAOYSA-N 0 0 320.437 2.018 10 30 DEEERN N#CCc1cccc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)c1 ZINC000375021377 534725977 /nfs/dbraw/zinc/72/59/77/534725977.db2.gz FEULWZLXNSQCRJ-UHFFFAOYSA-N 0 0 310.328 2.235 10 30 DEEERN N#Cc1ccc(NCCN2CCc3c(Cl)cccc3C2)nn1 ZINC000302672729 534793791 /nfs/dbraw/zinc/79/37/91/534793791.db2.gz ONQWOVJMCWDUOA-UHFFFAOYSA-N 0 0 313.792 2.472 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000190504593 526290769 /nfs/dbraw/zinc/29/07/69/526290769.db2.gz BFGSOZPUXOQONP-CYBMUJFWSA-N 0 0 320.389 2.363 10 30 DEEERN CC#CCN(C)C(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000341043993 526355502 /nfs/dbraw/zinc/35/55/02/526355502.db2.gz MAFVVICEPXGQJS-UHFFFAOYSA-N 0 0 317.408 2.063 10 30 DEEERN CC#CCNC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2 ZINC000416185656 526382236 /nfs/dbraw/zinc/38/22/36/526382236.db2.gz WEQXPRVGFMIFHN-UHFFFAOYSA-N 0 0 315.323 2.392 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N(CC)C(C)C)cc2C1=O ZINC000340344659 526407963 /nfs/dbraw/zinc/40/79/63/526407963.db2.gz CBKFWGWYHWSGCT-UHFFFAOYSA-N 0 0 300.358 2.339 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)C/C=C/c2ccc(F)cc2)C1=O ZINC000341602444 526459483 /nfs/dbraw/zinc/45/94/83/526459483.db2.gz CFURJOAVMCGKRM-DWTRPJMMSA-N 0 0 316.376 2.474 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N[C@H](CC)c1c(C)nn(C)c1C ZINC000360105602 526515279 /nfs/dbraw/zinc/51/52/79/526515279.db2.gz XMERPUWPPXWVON-CQSZACIVSA-N 0 0 320.437 2.029 10 30 DEEERN C=C(C)COCCNC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000134983148 526642563 /nfs/dbraw/zinc/64/25/63/526642563.db2.gz MXKVDPAPKQQQQK-ZDUSSCGKSA-N 0 0 320.389 2.411 10 30 DEEERN N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000111922701 526648073 /nfs/dbraw/zinc/64/80/73/526648073.db2.gz FXGGTNKUQCGXRS-DOTOQJQBSA-N 0 0 319.364 2.417 10 30 DEEERN C=C(C)COCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000177652669 526648737 /nfs/dbraw/zinc/64/87/37/526648737.db2.gz VVVIOOBLAQOGSB-INIZCTEOSA-N 0 0 316.401 2.000 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)c2ccnc(C#N)c2)cc1 ZINC000192808741 526653163 /nfs/dbraw/zinc/65/31/63/526653163.db2.gz QGNYCZXSWUKUNB-UHFFFAOYSA-N 0 0 306.325 2.121 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@](C)(O)c1ccccc1Cl ZINC000278492510 526673620 /nfs/dbraw/zinc/67/36/20/526673620.db2.gz YZTUVEQTLGEOJW-KRWDZBQOSA-N 0 0 303.789 2.327 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NC2(C(F)F)CC2)c(Cl)c1 ZINC000337068433 526682172 /nfs/dbraw/zinc/68/21/72/526682172.db2.gz VYFRPHUNFANPIE-UHFFFAOYSA-N 0 0 306.721 2.288 10 30 DEEERN C#CCCCC(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000192151148 526682521 /nfs/dbraw/zinc/68/25/21/526682521.db2.gz VGRLZYCMRMVUJO-HNNXBMFYSA-N 0 0 320.458 2.350 10 30 DEEERN C=CCOCC(=O)N[C@@H](CC(=O)OCC)c1ccccc1C ZINC000349100713 526712061 /nfs/dbraw/zinc/71/20/61/526712061.db2.gz CCYXGZCBCWIJFP-HNNXBMFYSA-N 0 0 305.374 2.308 10 30 DEEERN C#CCCCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245650146 526713639 /nfs/dbraw/zinc/71/36/39/526713639.db2.gz DGEKAKATADNFAT-JKSUJKDBSA-N 0 0 321.371 2.423 10 30 DEEERN C=C(C)Cn1c(-c2ccccn2)nnc1N1CCOC[C@H](C)C1 ZINC000358959246 526717183 /nfs/dbraw/zinc/71/71/83/526717183.db2.gz QRFYCDBOJCFQQQ-CQSZACIVSA-N 0 0 313.405 2.389 10 30 DEEERN C=CCOCCCC(=O)N1CCC(c2nnc(CC)[nH]2)CC1 ZINC000191538013 526729962 /nfs/dbraw/zinc/72/99/62/526729962.db2.gz GJXBYOMCZFZITI-UHFFFAOYSA-N 0 0 306.410 2.056 10 30 DEEERN C=C(C)Cn1c(COCC)nnc1N1CCOC(C)(C)[C@@H]1C ZINC000359113052 526730807 /nfs/dbraw/zinc/73/08/07/526730807.db2.gz DXNSDRUIOQDDSQ-ZDUSSCGKSA-N 0 0 308.426 2.394 10 30 DEEERN C=C(C)[C@@H](CC(=O)NC1(CO)Cc2ccccc2C1)OCC ZINC000373437367 526747786 /nfs/dbraw/zinc/74/77/86/526747786.db2.gz WFBLQURDYUDROJ-MRXNPFEDSA-N 0 0 303.402 2.004 10 30 DEEERN C=CCOCCNC(=O)N(C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000378588065 526774282 /nfs/dbraw/zinc/77/42/82/526774282.db2.gz ABFHCEGRPFFBLQ-BBRMVZONSA-N 0 0 304.390 2.223 10 30 DEEERN C=CCOCCNC(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000369963695 526775492 /nfs/dbraw/zinc/77/54/92/526775492.db2.gz HFOCSTZEGSJTFZ-SFHVURJKSA-N 0 0 316.401 2.420 10 30 DEEERN C=CCOCCNC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000371674330 526775966 /nfs/dbraw/zinc/77/59/66/526775966.db2.gz FRYRDDWMKNOSJO-ZIAGYGMSSA-N 0 0 308.378 2.080 10 30 DEEERN C=CCOCCNC(=O)N1CCSC[C@@H]1c1nccs1 ZINC000372152808 526777122 /nfs/dbraw/zinc/77/71/22/526777122.db2.gz NDMSYKQQZGSMCX-LLVKDONJSA-N 0 0 313.448 2.145 10 30 DEEERN C=CCOCCNC(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000378598893 526778154 /nfs/dbraw/zinc/77/81/54/526778154.db2.gz WEWQROBJJWUEQG-HOCLYGCPSA-N 0 0 304.390 2.361 10 30 DEEERN C=CCOCCNC(=O)N[C@H](C)c1nccn1-c1ccccc1 ZINC000376412314 526779161 /nfs/dbraw/zinc/77/91/61/526779161.db2.gz YKIWOBUXVUEJEK-CQSZACIVSA-N 0 0 314.389 2.435 10 30 DEEERN C=CCOCCNC(=O)N[C@H](c1cnn(C)c1)c1ccccc1 ZINC000378652276 526779513 /nfs/dbraw/zinc/77/95/13/526779513.db2.gz UJHNXXZHLBACES-INIZCTEOSA-N 0 0 314.389 2.011 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CO)c1ccsc1 ZINC000438063901 526798837 /nfs/dbraw/zinc/79/88/37/526798837.db2.gz RRLRBJVNLAYLPO-YUTCNCBUSA-N 0 0 310.419 2.062 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(CC)C1CC(C)(C)C1 ZINC000422427034 526828309 /nfs/dbraw/zinc/82/83/09/526828309.db2.gz CMUQWAPTIACAEU-UKRRQHHQSA-N 0 0 322.449 2.121 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC(C)(C)c1noc(CC)n1 ZINC000442594106 526831502 /nfs/dbraw/zinc/83/15/02/526831502.db2.gz LDYXYHHPBGZTMP-DGCLKSJQSA-N 0 0 322.409 2.148 10 30 DEEERN CC(C)(C)c1ncc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)s1 ZINC000370994680 526877011 /nfs/dbraw/zinc/87/70/11/526877011.db2.gz VRVPHLZSRWQRLI-GFCCVEGCSA-N 0 0 318.446 2.253 10 30 DEEERN C=C(Cl)CNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000374276574 526888826 /nfs/dbraw/zinc/88/88/26/526888826.db2.gz CECSHOFLILRJQK-JSGCOSHPSA-N 0 0 321.808 2.228 10 30 DEEERN C=C(Cl)CNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000369488619 526890366 /nfs/dbraw/zinc/89/03/66/526890366.db2.gz VRTWLRCJCNRICY-GFCCVEGCSA-N 0 0 312.822 2.150 10 30 DEEERN C=C(Cl)CNC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000369488612 526891204 /nfs/dbraw/zinc/89/12/04/526891204.db2.gz VOBBZEZNDLXXDT-VIFPVBQESA-N 0 0 314.719 2.186 10 30 DEEERN C=CCSCCNC(=O)c1cnc2nc(C)ccc2c1O ZINC000195729682 527003799 /nfs/dbraw/zinc/00/37/99/527003799.db2.gz VJUNDEGHWSUPLD-UHFFFAOYSA-N 0 0 303.387 2.293 10 30 DEEERN C#CCNC(=O)[C@H](C)N1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246876307 527027780 /nfs/dbraw/zinc/02/77/80/527027780.db2.gz QGFWDIBJQAQRLQ-BBRMVZONSA-N 0 0 316.376 2.001 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000334036097 527047553 /nfs/dbraw/zinc/04/75/53/527047553.db2.gz KNMNUKDXCPJQSC-ZIAGYGMSSA-N 0 0 305.426 2.043 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C1(c2ccc(C)c(OC)c2)CCC1 ZINC000337076227 527086370 /nfs/dbraw/zinc/08/63/70/527086370.db2.gz QTRRJIRNRPPBBR-HNNXBMFYSA-N 0 0 303.402 2.479 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000369881910 527091068 /nfs/dbraw/zinc/09/10/68/527091068.db2.gz IGWZRFPKADIYSS-BETUJISGSA-N 0 0 304.321 2.233 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000338776598 527092903 /nfs/dbraw/zinc/09/29/03/527092903.db2.gz LMXGCZMFMRGVBT-SMDDNHRTSA-N 0 0 308.353 2.058 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1csc(-c2ccc(C)n2C)n1 ZINC000337050567 527100401 /nfs/dbraw/zinc/10/04/01/527100401.db2.gz JINPPDJTJDPMOZ-NSHDSACASA-N 0 0 305.403 2.124 10 30 DEEERN C=CCCCC(=O)N[C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000375315983 527109160 /nfs/dbraw/zinc/10/91/60/527109160.db2.gz COSAUYJEIPLHKG-MRXNPFEDSA-N 0 0 300.402 2.303 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1C[C@H](OC)C[C@H]1CC(=O)OCC ZINC000341442934 527151265 /nfs/dbraw/zinc/15/12/65/527151265.db2.gz ZBYOOZOQIPLRJH-MELADBBJSA-N 0 0 312.410 2.093 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCC[C@H](C)CCO ZINC000297572988 527161238 /nfs/dbraw/zinc/16/12/38/527161238.db2.gz BZHIACRFMYSGKQ-RDJZCZTQSA-N 0 0 302.418 2.329 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000285845709 527162323 /nfs/dbraw/zinc/16/23/23/527162323.db2.gz PARHNNGSTXISKN-WBVHZDCISA-N 0 0 307.397 2.265 10 30 DEEERN C=CC[C@H](CO)CNC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000342230575 527167781 /nfs/dbraw/zinc/16/77/81/527167781.db2.gz YIEUSFISXYCFRK-NSHDSACASA-N 0 0 311.328 2.229 10 30 DEEERN C=CC[C@H](CO)CNC(=O)CO[C@@H]1CCCc2ccccc21 ZINC000435795508 527168570 /nfs/dbraw/zinc/16/85/70/527168570.db2.gz DOLDIBYAAKTQSO-WMLDXEAASA-N 0 0 303.402 2.381 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@H](OCCC)CC1 ZINC000410539519 527174172 /nfs/dbraw/zinc/17/41/72/527174172.db2.gz NRSVKNKCSFXORR-HNNXBMFYSA-N 0 0 310.438 2.219 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341929363 527175641 /nfs/dbraw/zinc/17/56/41/527175641.db2.gz ALHFDBMRACFAAA-NEPJUHHUSA-N 0 0 307.350 2.140 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000410598403 527176246 /nfs/dbraw/zinc/17/62/46/527176246.db2.gz OKBXYTZIWAPLSC-GDBMZVCRSA-N 0 0 315.417 2.416 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000341850429 527176640 /nfs/dbraw/zinc/17/66/40/527176640.db2.gz CYEBCBGMTYDASV-USXIJHARSA-N 0 0 318.417 2.248 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@H](C)Oc1ccc(C)cc1 ZINC000283984313 527176891 /nfs/dbraw/zinc/17/68/91/527176891.db2.gz JETDXWRUVBMXKP-HNNXBMFYSA-N 0 0 318.417 2.303 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc(C(=O)OCC)o1 ZINC000177511143 527194626 /nfs/dbraw/zinc/19/46/26/527194626.db2.gz AFMNGKQCTIUYAE-UHFFFAOYSA-N 0 0 301.364 2.043 10 30 DEEERN C=CCCCNC(=O)NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000448392910 527220608 /nfs/dbraw/zinc/22/06/08/527220608.db2.gz XGYMCZSCTIKPCM-CYBMUJFWSA-N 0 0 312.360 2.381 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@]1(COC)CCOC1 ZINC000413992840 527220624 /nfs/dbraw/zinc/22/06/24/527220624.db2.gz YPLBJCOBZWPMIR-SJLPKXTDSA-N 0 0 303.402 2.343 10 30 DEEERN C=CCCCNC(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000441781620 527222968 /nfs/dbraw/zinc/22/29/68/527222968.db2.gz WRTKQQCYHKNVNR-UHFFFAOYSA-N 0 0 314.393 2.421 10 30 DEEERN C=CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000447931565 527234168 /nfs/dbraw/zinc/23/41/68/527234168.db2.gz XTTASXOUVWGZNI-UHFFFAOYSA-N 0 0 321.358 2.388 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN2CCCC[C@]2(C)C(N)=O)c1C ZINC000185896302 527293631 /nfs/dbraw/zinc/29/36/31/527293631.db2.gz WWCNQJDHFDARHH-GOSISDBHSA-N 0 0 317.433 2.204 10 30 DEEERN C=CCn1c(CC2CC2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC000282713596 527313341 /nfs/dbraw/zinc/31/33/41/527313341.db2.gz VWGDYXPZVNTREK-CQSZACIVSA-N 0 0 312.421 2.144 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CCC[C@H]1C(=O)N(C)C ZINC000289569368 527316065 /nfs/dbraw/zinc/31/60/65/527316065.db2.gz GOKFPKLYIOCODI-AWEZNQCLSA-N 0 0 319.453 2.110 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@H](COC)C1 ZINC000337857898 527320945 /nfs/dbraw/zinc/32/09/45/527320945.db2.gz MBJQUIQERLCTMF-AWEZNQCLSA-N 0 0 316.405 2.315 10 30 DEEERN C=CCCN(C)S(=O)(=O)c1ccccc1Cn1ccnc1 ZINC000443223999 527322794 /nfs/dbraw/zinc/32/27/94/527322794.db2.gz PGDPICQZVSCHAG-UHFFFAOYSA-N 0 0 305.403 2.128 10 30 DEEERN C=CCn1c(Cn2nc(C)cc2C)nnc1N(CC)C1CC1 ZINC000289589860 527329440 /nfs/dbraw/zinc/32/94/40/527329440.db2.gz HYRUTTNLIWHCDP-UHFFFAOYSA-N 0 0 300.410 2.314 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC000282651528 527352381 /nfs/dbraw/zinc/35/23/81/527352381.db2.gz QNUHGMCWYHIFRQ-MCIONIFRSA-N 0 0 306.410 2.034 10 30 DEEERN C=CCC[C@@H](C(=O)NC[C@H]1CN(C)CCO1)c1ccccc1 ZINC000249531048 527423193 /nfs/dbraw/zinc/42/31/93/527423193.db2.gz AZCWATBROSFEKZ-DLBZAZTESA-N 0 0 302.418 2.183 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000425891563 527491627 /nfs/dbraw/zinc/49/16/27/527491627.db2.gz YOHYMGMMPDWVOG-VGWMRTNUSA-N 0 0 322.449 2.025 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1cnn(C)c1)CC(C)C ZINC000425568770 527494160 /nfs/dbraw/zinc/49/41/60/527494160.db2.gz XGHVLMRBONALGM-HOTGVXAUSA-N 0 0 320.437 2.179 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1cc(C)ccc1OC ZINC000425592329 527495302 /nfs/dbraw/zinc/49/53/02/527495302.db2.gz WKEHJQJPWNZQLO-HOTGVXAUSA-N 0 0 318.417 2.436 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000337665438 527499547 /nfs/dbraw/zinc/49/95/47/527499547.db2.gz SCGWOJIEKIUMGL-GASCZTMLSA-N 0 0 314.385 2.134 10 30 DEEERN C=CCN(C)C(=O)CCNS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000428287657 527561030 /nfs/dbraw/zinc/56/10/30/527561030.db2.gz VAURCGMARILXFS-UHFFFAOYSA-N 0 0 324.446 2.123 10 30 DEEERN C=C[C@H](CC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccccc1 ZINC000340185349 527577987 /nfs/dbraw/zinc/57/79/87/527577987.db2.gz CBCANGFIBPRNRI-SRABZTEZSA-N 0 0 312.413 2.472 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000354115395 527619175 /nfs/dbraw/zinc/61/91/75/527619175.db2.gz RFJOPRQHUDVSAM-CXAGYDPISA-N 0 0 305.374 2.171 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000298143095 527632561 /nfs/dbraw/zinc/63/25/61/527632561.db2.gz OBXZFXUPIJRXLW-HNNXBMFYSA-N 0 0 316.426 2.402 10 30 DEEERN C=CCN(CCC#N)C(=O)C(=O)Nc1cc(C)c(OC)cc1C ZINC000293170165 527652144 /nfs/dbraw/zinc/65/21/44/527652144.db2.gz MGECCVLEOCKBTG-UHFFFAOYSA-N 0 0 315.373 2.179 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCC[C@@H](C)O ZINC000447610015 527745940 /nfs/dbraw/zinc/74/59/40/527745940.db2.gz OSHXIOGDCYRPAY-CJNGLKHVSA-N 0 0 304.390 2.239 10 30 DEEERN CC(C)c1nc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cs1 ZINC000370985333 528259558 /nfs/dbraw/zinc/25/95/58/528259558.db2.gz MOWCHBNIIIEYBL-LBPRGKRZSA-N 0 0 304.419 2.079 10 30 DEEERN CC(C)S(=O)(=O)c1ccc(C(=O)NC2(C#N)CCCC2)cc1 ZINC000194344311 528307686 /nfs/dbraw/zinc/30/76/86/528307686.db2.gz IPHRSASTWINZCL-UHFFFAOYSA-N 0 0 320.414 2.435 10 30 DEEERN CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000191641204 529104462 /nfs/dbraw/zinc/10/44/62/529104462.db2.gz NJBYYWRRQCWJRH-UHFFFAOYSA-N 0 0 313.317 2.350 10 30 DEEERN CC(C)c1n[nH]cc1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000189566730 535325141 /nfs/dbraw/zinc/32/51/41/535325141.db2.gz BYEFKEBWRSDLBV-UHFFFAOYSA-N 0 0 310.357 2.308 10 30 DEEERN CCn1cc([C@@H]2CN(Cc3ccc(F)cc3C#N)CCO2)cn1 ZINC000190765830 536091801 /nfs/dbraw/zinc/09/18/01/536091801.db2.gz TWOGQTLRNREPOK-KRWDZBQOSA-N 0 0 314.364 2.487 10 30 DEEERN CCc1nccn1[C@@H]1CCCN(C(=O)c2cc(C#N)cn2C)C1 ZINC000176012957 536172569 /nfs/dbraw/zinc/17/25/69/536172569.db2.gz REDICYMUZJLPIY-CQSZACIVSA-N 0 0 311.389 2.133 10 30 DEEERN CCOC(=O)C1(C(=O)OC[C@@H](C#N)Cc2cccs2)CC1 ZINC000181424388 625352157 /nfs/dbraw/zinc/35/21/57/625352157.db2.gz HUORGEIKSZPGOL-LLVKDONJSA-N 0 0 307.371 2.317 10 30 DEEERN C=CCCC(=O)OCCN1CCN(Cc2ccsc2)CC1 ZINC000176879361 625415819 /nfs/dbraw/zinc/41/58/19/625415819.db2.gz BNEDWTVWJZHMLL-UHFFFAOYSA-N 0 0 308.447 2.375 10 30 DEEERN C#CCOCCC(=O)OCCCn1c(C)nc2ccccc21 ZINC000165888642 624521774 /nfs/dbraw/zinc/52/17/74/624521774.db2.gz RAVOEQJQVAHZOC-UHFFFAOYSA-N 0 0 300.358 2.318 10 30 DEEERN Cc1nn(C)c(C)c1CCC/N=C/c1ccc(O)c(O)c1O ZINC000091515566 624645129 /nfs/dbraw/zinc/64/51/29/624645129.db2.gz NAGSDRIBPNXJKR-RQZCQDPDSA-N 0 0 303.362 2.205 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)[C@H]1CSCN1C(C)=O ZINC000121915951 625035839 /nfs/dbraw/zinc/03/58/39/625035839.db2.gz HBULZKBXAOKLHR-CYBMUJFWSA-N 0 0 310.444 2.184 10 30 DEEERN C#CC[C@@H](OC(=O)[C@H](C)Sc1nnnn1C1CC1)C(C)C ZINC000177725094 625070563 /nfs/dbraw/zinc/07/05/63/625070563.db2.gz NBJSRMZXKAMDAA-CMPLNLGQSA-N 0 0 308.407 2.080 10 30 DEEERN CC(C)[C@@H](C#N)OC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000176797725 625236044 /nfs/dbraw/zinc/23/60/44/625236044.db2.gz IQMIMAFUYZTULY-ZIAGYGMSSA-N 0 0 307.394 2.006 10 30 DEEERN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccn(C)c2C)cc1 ZINC000194888384 625752833 /nfs/dbraw/zinc/75/28/33/625752833.db2.gz IEUUFDFHINGVJW-HNNXBMFYSA-N 0 0 311.341 2.303 10 30 DEEERN C#C[C@@H](C)NC(=O)c1ccccc1SCc1nc(C)no1 ZINC000186107974 633063013 /nfs/dbraw/zinc/06/30/13/633063013.db2.gz GZWHWYBDTORRKT-SNVBAGLBSA-N 0 0 301.371 2.422 10 30 DEEERN C#CCCNC(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000733625664 633251374 /nfs/dbraw/zinc/25/13/74/633251374.db2.gz YGFZPCNMCNUBAL-OKILXGFUSA-N 0 0 301.390 2.445 10 30 DEEERN C=C(COC(=O)c1ccn(-c2ccccc2F)n1)C(=O)OCC ZINC000734026283 633312068 /nfs/dbraw/zinc/31/20/68/633312068.db2.gz AMJODVMHYYAVDL-UHFFFAOYSA-N 0 0 318.304 2.288 10 30 DEEERN C=C(COC(=O)c1nc(SC)ncc1Cl)C(=O)OCC ZINC000734026185 633312342 /nfs/dbraw/zinc/31/23/42/633312342.db2.gz HPCYMMLDOGMJID-UHFFFAOYSA-N 0 0 316.766 2.128 10 30 DEEERN C=C(COC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)C(=O)OCC ZINC000734028420 633313028 /nfs/dbraw/zinc/31/30/28/633313028.db2.gz ASZRXCBROADZNH-UHFFFAOYSA-N 0 0 318.285 2.352 10 30 DEEERN C=C(COC(=O)CCc1ccc(OC)c(F)c1)C(=O)OCC ZINC000734027428 633313126 /nfs/dbraw/zinc/31/31/26/633313126.db2.gz UXIYGDWHPGQMII-UHFFFAOYSA-N 0 0 310.321 2.429 10 30 DEEERN C=C(COC(=O)C1(c2ccccc2OC)CC1)C(=O)OCC ZINC000734028535 633313159 /nfs/dbraw/zinc/31/31/59/633313159.db2.gz CNSHOHOAQLCZHR-UHFFFAOYSA-N 0 0 304.342 2.389 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)C[C@@H](C)n1cccc1 ZINC000735039833 633452545 /nfs/dbraw/zinc/45/25/45/633452545.db2.gz TZAVBLMQNRQHDI-CQSZACIVSA-N 0 0 309.369 2.441 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)/C=C\c1ccnc2ccccc12 ZINC000735554127 633518727 /nfs/dbraw/zinc/51/87/27/633518727.db2.gz OZIZJXZGQXDTBV-YXVBKTCISA-N 0 0 310.353 2.482 10 30 DEEERN N#C[C@@H](C(=O)CCCOc1ccccc1F)C(=O)N1CCCC1 ZINC000125280879 633519023 /nfs/dbraw/zinc/51/90/23/633519023.db2.gz JSHPYPMLEHSGFN-ZDUSSCGKSA-N 0 0 318.348 2.316 10 30 DEEERN N#Cc1cnn(CCOC(=O)CC/C=C\c2ccccc2)c1N ZINC000739177149 633583592 /nfs/dbraw/zinc/58/35/92/633583592.db2.gz ZEZSFNIHZQNEHX-YWEYNIOJSA-N 0 0 310.357 2.374 10 30 DEEERN C#CCN(CC#C)Cc1cn(-c2ccccc2)nc1C(=O)OCC ZINC000093461433 634012677 /nfs/dbraw/zinc/01/26/77/634012677.db2.gz WXOXXOQKKGXCIK-UHFFFAOYSA-N 0 0 321.380 2.117 10 30 DEEERN CC#CCOC(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000091112899 634345095 /nfs/dbraw/zinc/34/50/95/634345095.db2.gz FUNKGMKJZAUPPJ-CQSZACIVSA-N 0 0 309.312 2.286 10 30 DEEERN C#CCOc1cccc(NC(=O)[C@H](C)NC(=O)c2ccco2)c1 ZINC000108289832 636543451 /nfs/dbraw/zinc/54/34/51/636543451.db2.gz OVNUXUVQDKXQNS-LBPRGKRZSA-N 0 0 312.325 2.049 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000015801006 636544591 /nfs/dbraw/zinc/54/45/91/636544591.db2.gz LLGBJHKVRMXQRH-SNVBAGLBSA-N 0 0 322.324 2.134 10 30 DEEERN C#CCCCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000186936689 636627375 /nfs/dbraw/zinc/62/73/75/636627375.db2.gz OFHMIFDGYUJLMT-ZIAGYGMSSA-N 0 0 323.437 2.345 10 30 DEEERN C=C(Br)COC(=O)c1ccc(-n2ccnc2)nc1 ZINC000191399735 637521883 /nfs/dbraw/zinc/52/18/83/637521883.db2.gz KTTWUTWJKHDMIQ-UHFFFAOYSA-N 0 0 308.135 2.333 10 30 DEEERN C#CCCNC(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000743611053 638161572 /nfs/dbraw/zinc/16/15/72/638161572.db2.gz KTBYEMKXMGQNMI-UHFFFAOYSA-N 0 0 314.433 2.044 10 30 DEEERN C=C(C)CCOC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000744305121 638208007 /nfs/dbraw/zinc/20/80/07/638208007.db2.gz NOYSGGONWLQVLN-UHFFFAOYSA-N 0 0 324.358 2.295 10 30 DEEERN C=CCOCCCC(=O)OCC(=O)c1ccc2c(c1)OCO2 ZINC000745530203 638270290 /nfs/dbraw/zinc/27/02/90/638270290.db2.gz LFUFBOYTFURTNW-UHFFFAOYSA-N 0 0 306.314 2.124 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CCN1C1CC1 ZINC000745874955 638295515 /nfs/dbraw/zinc/29/55/15/638295515.db2.gz AYAAFIIWUWLCPF-KLZNWCGWSA-N 0 0 316.449 2.337 10 30 DEEERN COc1ccc(CNC(=O)NCCOCCC(C)C)cc1C#N ZINC000746715833 638372548 /nfs/dbraw/zinc/37/25/48/638372548.db2.gz FNSQGCKOKXZYOQ-UHFFFAOYSA-N 0 0 319.405 2.429 10 30 DEEERN COc1ccc(CNC(=O)N[C@H]2C[C@@H](OC)C2(C)C)cc1C#N ZINC000746734549 638373605 /nfs/dbraw/zinc/37/36/05/638373605.db2.gz VNBFJKTUDLPBQY-LSDHHAIUSA-N 0 0 317.389 2.180 10 30 DEEERN COc1ccc(CNC(=O)N[C@@H](C)C[C@@H]2CCOC2)cc1C#N ZINC000746748852 638374263 /nfs/dbraw/zinc/37/42/63/638374263.db2.gz WZPIQGVQMRQBCT-JSGCOSHPSA-N 0 0 317.389 2.181 10 30 DEEERN COc1ccc(CNC(=O)COCCc2ccccc2)cc1C#N ZINC000746868340 638382603 /nfs/dbraw/zinc/38/26/03/638382603.db2.gz MVWMCRYDIDKKHQ-UHFFFAOYSA-N 0 0 324.380 2.442 10 30 DEEERN C=CCNc1nc(C(=O)OCc2ccnc(C#N)c2)cs1 ZINC000746986676 638395850 /nfs/dbraw/zinc/39/58/50/638395850.db2.gz YBLOBJHJJALWDG-UHFFFAOYSA-N 0 0 300.343 2.365 10 30 DEEERN C=CCNC(=O)COC(=O)c1ccc(N2CCCCC2)cc1 ZINC000747001152 638397646 /nfs/dbraw/zinc/39/76/46/638397646.db2.gz KFFLAEWJPUJBRN-UHFFFAOYSA-N 0 0 302.374 2.136 10 30 DEEERN C#CCCNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000749994359 638701875 /nfs/dbraw/zinc/70/18/75/638701875.db2.gz BEMQLTNKUMSRHN-UHFFFAOYSA-N 0 0 319.158 2.456 10 30 DEEERN C[C@@H](OC(=O)Cc1cccc(C#N)c1)C(=O)NC1CCCCC1 ZINC000750430093 638743982 /nfs/dbraw/zinc/74/39/82/638743982.db2.gz IUMFJPANEIFQKQ-CYBMUJFWSA-N 0 0 314.385 2.481 10 30 DEEERN CCCCCNC(=O)[C@@H](C)OC(=O)Cc1cccc(C#N)c1 ZINC000750434149 638745218 /nfs/dbraw/zinc/74/52/18/638745218.db2.gz OELBFUXQTGGCAC-CYBMUJFWSA-N 0 0 302.374 2.339 10 30 DEEERN N#Cc1cccnc1NCCNC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000750638354 639010814 /nfs/dbraw/zinc/01/08/14/639010814.db2.gz POSJBVJTDOYHSY-HUUCEWRRSA-N 0 0 313.405 2.197 10 30 DEEERN COC(=O)CN(Cc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000752095473 639155557 /nfs/dbraw/zinc/15/55/57/639155557.db2.gz QCPIXCOYMJHRAH-UHFFFAOYSA-N 0 0 308.765 2.380 10 30 DEEERN C#Cc1ccc(C(=O)N(CCC(=O)OC)Cc2ccccc2)nc1 ZINC000728806337 639416103 /nfs/dbraw/zinc/41/61/03/639416103.db2.gz YKJXMVYMBMEKSU-UHFFFAOYSA-N 0 0 322.364 2.268 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1cc2c(cc1C)OCO2)C(C)(C)C ZINC000805146889 639840330 /nfs/dbraw/zinc/84/03/30/639840330.db2.gz PCSVOLXEFCGUIZ-CQSZACIVSA-N 0 0 309.387 2.050 10 30 DEEERN C#Cc1ccc(C(=O)OCc2ccc(F)cc2C(=O)OC)nc1 ZINC000729007537 639841770 /nfs/dbraw/zinc/84/17/70/639841770.db2.gz ZDWGBPIDYDWTRQ-UHFFFAOYSA-N 0 0 313.284 2.346 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCc1noc(C2CC2)n1 ZINC000805243547 640414476 /nfs/dbraw/zinc/41/44/76/640414476.db2.gz ZTNDMUMZVKUTRN-OAHLLOKOSA-N 0 0 324.384 2.381 10 30 DEEERN CN1C(=O)C[C@H](C(=O)OCCCC#N)[C@@H]1c1ccc(F)cc1 ZINC000179151732 640482434 /nfs/dbraw/zinc/48/24/34/640482434.db2.gz ANCQVWFVUHFVFG-ZFWWWQNUSA-N 0 0 304.321 2.192 10 30 DEEERN CCn1cc(NC(=S)NCc2ccc(C#N)cc2F)cn1 ZINC000729822014 640846030 /nfs/dbraw/zinc/84/60/30/640846030.db2.gz GMRFJWLOWVMIHM-UHFFFAOYSA-N 0 0 303.366 2.400 10 30 DEEERN C#C[C@H](CC)NC(=O)NCc1cc(Br)ccc1O ZINC000805347602 640974015 /nfs/dbraw/zinc/97/40/15/640974015.db2.gz MOFXAHSANHFNAU-LLVKDONJSA-N 0 0 311.179 2.366 10 30 DEEERN C#CCOc1cccc(COC(=O)COCc2cccnc2)c1 ZINC000805874292 643644530 /nfs/dbraw/zinc/64/45/30/643644530.db2.gz BZIKOJFPLZTDQT-UHFFFAOYSA-N 0 0 311.337 2.354 10 30 DEEERN C=C[C@@](C)(CCOC)COC(=O)c1ccnc2c1ncn2C ZINC000805925358 643865242 /nfs/dbraw/zinc/86/52/42/643865242.db2.gz LILNROZMBIGAHS-INIZCTEOSA-N 0 0 303.362 2.354 10 30 DEEERN C=C(C)C[C@H](C)C(=O)O[C@@H](C)C(=O)NCCc1ccncc1 ZINC000805974857 644064494 /nfs/dbraw/zinc/06/44/94/644064494.db2.gz NYHSPGDFMVAYQN-KBPBESRZSA-N 0 0 304.390 2.274 10 30 DEEERN C=CCCCCCCNC(=O)N1CCO[C@H](C(=O)OCC)C1 ZINC000806003593 644173057 /nfs/dbraw/zinc/17/30/57/644173057.db2.gz MJWGVYIVWXKOAH-AWEZNQCLSA-N 0 0 312.410 2.096 10 30 DEEERN C[C@@]1(C#N)CCCN(C(=O)C2C[C@H]3CSC[C@@H](C2)C3=O)C1 ZINC000907338125 644508292 /nfs/dbraw/zinc/50/82/92/644508292.db2.gz ZULWZGGFJQEYKW-IAYQEVDDSA-N 0 0 306.431 2.097 10 30 DEEERN C=C(COC(=O)c1ccncc1C(F)(F)F)C(=O)OCC ZINC000800237645 645244440 /nfs/dbraw/zinc/24/44/40/645244440.db2.gz KDVSPUDSYSHTFJ-UHFFFAOYSA-N 0 0 303.236 2.377 10 30 DEEERN COC(=O)c1ccoc1C(=O)OCCOc1ccc(C#N)cc1 ZINC000800264615 645248307 /nfs/dbraw/zinc/24/83/07/645248307.db2.gz APVKDPFBECTHJS-UHFFFAOYSA-N 0 0 315.281 2.174 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000800580817 645289466 /nfs/dbraw/zinc/28/94/66/645289466.db2.gz VOTRCLRLJXUZDS-HOTGVXAUSA-N 0 0 302.805 2.021 10 30 DEEERN CC#CC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000801171447 645347633 /nfs/dbraw/zinc/34/76/33/645347633.db2.gz FFWXISMHYIXWLQ-UHFFFAOYSA-N 0 0 321.218 2.117 10 30 DEEERN C#CCOc1cccc(NC(=O)N2CCO[C@H](C(F)F)C2)c1 ZINC000801627007 645425170 /nfs/dbraw/zinc/42/51/70/645425170.db2.gz ALXFEMSMSJAIND-ZDUSSCGKSA-N 0 0 310.300 2.196 10 30 DEEERN C#CCC[C@@H](O)CNC(=O)Nc1ncc(C(F)(F)F)s1 ZINC000801755916 645437568 /nfs/dbraw/zinc/43/75/68/645437568.db2.gz XADPSEIQWDQGKS-SSDOTTSWSA-N 0 0 307.297 2.058 10 30 DEEERN C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H](C)C(C)C)c(F)c1 ZINC000802558474 645533931 /nfs/dbraw/zinc/53/39/31/645533931.db2.gz SXUIMOVAKILSLA-JTQLQIEISA-N 0 0 308.328 2.293 10 30 DEEERN C=CCOc1ccc(C(=O)OC2CN(CCOCC)C2)cc1 ZINC000802774756 645556019 /nfs/dbraw/zinc/55/60/19/645556019.db2.gz SHLDIQNTGHAPLG-UHFFFAOYSA-N 0 0 305.374 2.129 10 30 DEEERN COCc1ncc(C(=O)NCc2ccc(OC)c(C#N)c2)s1 ZINC000802819342 645563721 /nfs/dbraw/zinc/56/37/21/645563721.db2.gz PYVMWANBFHWJSP-UHFFFAOYSA-N 0 0 317.370 2.100 10 30 DEEERN N#Cc1ccc(Cl)c(C(=O)N2CCO[C@H](C(F)F)C2)c1 ZINC000803382017 645643679 /nfs/dbraw/zinc/64/36/79/645643679.db2.gz IKIXLJGYSCNSTE-NSHDSACASA-N 0 0 300.692 2.318 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1nccn2cc(C)nc12 ZINC000803521420 645667710 /nfs/dbraw/zinc/66/77/10/645667710.db2.gz GVHFDRTUWBKHOW-INIZCTEOSA-N 0 0 318.380 2.402 10 30 DEEERN C#CCC1(C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)CCCCC1 ZINC000803568737 645672225 /nfs/dbraw/zinc/67/22/25/645672225.db2.gz AALKBGIYLBOPAS-LSDHHAIUSA-N 0 0 309.450 2.234 10 30 DEEERN C#CCC1(C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)CCCCC1 ZINC000803568735 645672455 /nfs/dbraw/zinc/67/24/55/645672455.db2.gz AALKBGIYLBOPAS-GJZGRUSLSA-N 0 0 309.450 2.234 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000803698428 645681893 /nfs/dbraw/zinc/68/18/93/645681893.db2.gz QJGPKFVWDFGOIE-UHFFFAOYSA-N 0 0 301.298 2.309 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000803701204 645682630 /nfs/dbraw/zinc/68/26/30/645682630.db2.gz ORFIAWHSVJYRDE-NSHDSACASA-N 0 0 319.307 2.498 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000803700394 645682783 /nfs/dbraw/zinc/68/27/83/645682783.db2.gz NYZLFPMVNQAQRN-QGZVFWFLSA-N 0 0 309.365 2.212 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cnn2ncccc12 ZINC000804451979 645772987 /nfs/dbraw/zinc/77/29/87/645772987.db2.gz BNIBPVGTJJHUIJ-HNNXBMFYSA-N 0 0 304.353 2.094 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](O)c1cccc(OC)c1 ZINC000804458203 645774176 /nfs/dbraw/zinc/77/41/76/645774176.db2.gz INWHIDSEGQMOLF-MJGOQNOKSA-N 0 0 323.392 2.479 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C(N)=O)s1 ZINC000804459806 645775099 /nfs/dbraw/zinc/77/50/99/645775099.db2.gz QENWNCZNRDTSDV-CYBMUJFWSA-N 0 0 312.394 2.211 10 30 DEEERN C=CCCOCC(=O)OCCc1nnc(-c2ccccc2)o1 ZINC000806111156 645800446 /nfs/dbraw/zinc/80/04/46/645800446.db2.gz DXRLJCUFMFEHDY-UHFFFAOYSA-N 0 0 302.330 2.415 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000806450901 645831982 /nfs/dbraw/zinc/83/19/82/645831982.db2.gz AIBFHINFAYLGDL-UHFFFAOYSA-N 0 0 323.440 2.035 10 30 DEEERN C#CCCCNC(=O)NCc1nnc(CCc2ccccc2)o1 ZINC000806877293 645883046 /nfs/dbraw/zinc/88/30/46/645883046.db2.gz SIGXKAXYMVTXQO-UHFFFAOYSA-N 0 0 312.373 2.067 10 30 DEEERN C#CCCCNC(=O)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000806910648 645887310 /nfs/dbraw/zinc/88/73/10/645887310.db2.gz ASAYTTKBHKOYRJ-GFCCVEGCSA-N 0 0 306.793 2.389 10 30 DEEERN C#Cc1cncc(C(=O)N[C@@H](c2nnc3ccccn32)C(C)C)c1 ZINC000806926846 645890619 /nfs/dbraw/zinc/89/06/19/645890619.db2.gz VHAOAWHZYPCRHN-MRXNPFEDSA-N 0 0 319.368 2.233 10 30 DEEERN C#CCC(CC#C)C(=O)NCCOc1ccc(C(F)(F)F)cn1 ZINC000807068442 645908371 /nfs/dbraw/zinc/90/83/71/645908371.db2.gz JHRAPHRYQOWQMD-UHFFFAOYSA-N 0 0 324.302 2.258 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)c1cc(-n2cccc2)ccn1 ZINC000807160755 645917586 /nfs/dbraw/zinc/91/75/86/645917586.db2.gz ZASWCDXDBZKUPI-UHFFFAOYSA-N 0 0 313.357 2.064 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC(CCO)CC1 ZINC000807465632 645953623 /nfs/dbraw/zinc/95/36/23/645953623.db2.gz DEAOQHQIUOHJDC-GOSISDBHSA-N 0 0 314.429 2.425 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCOC[C@@H]1CC ZINC000807469211 645954380 /nfs/dbraw/zinc/95/43/80/645954380.db2.gz FMOCXCGEODTLOK-IRXDYDNUSA-N 0 0 300.402 2.441 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1O ZINC000807767255 645986808 /nfs/dbraw/zinc/98/68/08/645986808.db2.gz JZUAMGRUDAZYLT-UHFFFAOYSA-N 0 0 319.744 2.434 10 30 DEEERN CC(N=Nc1ccc(-n2ccnc2)nn1)c1cn2c(n1)CCCC2 ZINC000807984113 646015409 /nfs/dbraw/zinc/01/54/09/646015409.db2.gz GSNUQBJQYZSHHZ-UHFFFAOYSA-N 0 0 322.376 2.031 10 30 DEEERN N#CC1(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCCC1 ZINC000060852377 646642479 /nfs/dbraw/zinc/64/24/79/646642479.db2.gz CCMMSLGEZJCXFK-UHFFFAOYSA-N 0 0 304.262 2.069 10 30 DEEERN CCN(C[C@H](C)C#N)Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000171064215 646684381 /nfs/dbraw/zinc/68/43/81/646684381.db2.gz XETJRVWEVMCFOP-CYBMUJFWSA-N 0 0 314.364 2.488 10 30 DEEERN C#CCSCCNC(=O)N[C@@H](C)COCc1ccccc1 ZINC000173283224 646764073 /nfs/dbraw/zinc/76/40/73/646764073.db2.gz IDCZZJYZJGSVIK-AWEZNQCLSA-N 0 0 306.431 2.257 10 30 DEEERN C#CCN1CCN(C(=O)c2ccc(-c3ccccc3)n2C)CC1 ZINC000173716189 646777594 /nfs/dbraw/zinc/77/75/94/646777594.db2.gz HSEBVUVZDOTVAR-UHFFFAOYSA-N 0 0 307.397 2.083 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000730280530 646887093 /nfs/dbraw/zinc/88/70/93/646887093.db2.gz VTBWFSFNAFHEEY-RYQLBKOJSA-N 0 0 312.413 2.073 10 30 DEEERN N#C[C@@H]1CN(C(=O)NCc2ccc(Cl)cc2)CCN1C1CC1 ZINC000732674178 647640063 /nfs/dbraw/zinc/64/00/63/647640063.db2.gz DKKYDPVYHCKMFZ-OAHLLOKOSA-N 0 0 318.808 2.222 10 30 DEEERN C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732702500 647644148 /nfs/dbraw/zinc/64/41/48/647644148.db2.gz URCGJSZWNNQYAM-FMKPAKJESA-N 0 0 304.438 2.194 10 30 DEEERN Cc1nnc([C@H](C)OC(=O)[C@H](C)Oc2ccccc2C#N)o1 ZINC000068508674 648472234 /nfs/dbraw/zinc/47/22/34/648472234.db2.gz QXCPZHHSKCDEFC-UWVGGRQHSA-N 0 0 301.302 2.321 10 30 DEEERN CC(C)(C)OC(=O)NC/C=C/CNC(=O)C1(C#N)CCCC1 ZINC000184195045 649245649 /nfs/dbraw/zinc/24/56/49/649245649.db2.gz JEPLOLOHCUBEHN-VOTSOKGWSA-N 0 0 307.394 2.267 10 30 DEEERN COc1c2cnn(C)c2ncc1C(=O)OCC(C)(C)CC#N ZINC000184762474 649368995 /nfs/dbraw/zinc/36/89/95/649368995.db2.gz HHLRSWFZCQVVQO-UHFFFAOYSA-N 0 0 302.334 2.074 10 30 DEEERN C#CCN(CC#C)CC(=O)NCc1cccc(OCCCC)c1 ZINC000072906592 649537920 /nfs/dbraw/zinc/53/79/20/649537920.db2.gz QHMAKSBMBVFHSS-UHFFFAOYSA-N 0 0 312.413 2.050 10 30 DEEERN C#CCOc1cccc(NC(=O)N(C)CC(=O)NC(C)(C)C)c1 ZINC000108518062 651660552 /nfs/dbraw/zinc/66/05/52/651660552.db2.gz XOXPWZWNBMGPDE-UHFFFAOYSA-N 0 0 317.389 2.077 10 30 DEEERN C#CCN(CC#C)C(=O)[C@H](C)Oc1ccccc1Br ZINC000075399731 683935943 /nfs/dbraw/zinc/93/59/43/683935943.db2.gz YAXCITNHWSWJPX-LBPRGKRZSA-N 0 0 320.186 2.311 10 30 DEEERN C=CCOCCCC(=O)[C@H](C#N)c1nnc2n1CCCCC2 ZINC000076842015 683946636 /nfs/dbraw/zinc/94/66/36/683946636.db2.gz NUSZEAPYCONAEV-ZDUSSCGKSA-N 0 0 302.378 2.164 10 30 DEEERN CCOc1cccnc1C(=O)OCCNc1ncccc1C#N ZINC000091693558 684038427 /nfs/dbraw/zinc/03/84/27/684038427.db2.gz TUHNNRUNHAJDQQ-UHFFFAOYSA-N 0 0 312.329 2.016 10 30 DEEERN C#CCN(C(=O)NC1CN(C(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000124154750 684132368 /nfs/dbraw/zinc/13/23/68/684132368.db2.gz UDVRPKGIRXYLEZ-UHFFFAOYSA-N 0 0 321.421 2.193 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Oc1ccc(O[C@@H](C)C(N)=O)cc1 ZINC000129942350 684183762 /nfs/dbraw/zinc/18/37/62/684183762.db2.gz WKJFRTGZJPSAQR-LBPRGKRZSA-N 0 0 324.336 2.339 10 30 DEEERN C=CCCCN(C)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000133187957 684217428 /nfs/dbraw/zinc/21/74/28/684217428.db2.gz RMYKMJTUFOUWIH-UHFFFAOYSA-N 0 0 318.333 2.267 10 30 DEEERN N#Cc1ccc(OCCNC(=O)Nc2cccc(F)n2)cc1 ZINC000134271716 684226977 /nfs/dbraw/zinc/22/69/77/684226977.db2.gz MWKWKBDFGUZAGM-UHFFFAOYSA-N 0 0 300.293 2.293 10 30 DEEERN CCOCCCNC(=O)[C@H](C#N)C(=O)C1CCC(F)(F)CC1 ZINC000136373757 684239890 /nfs/dbraw/zinc/23/98/90/684239890.db2.gz BPDRPFSBXXOMCV-GFCCVEGCSA-N 0 0 316.348 2.064 10 30 DEEERN C#CC[N@@H+](CC(=O)NCc1cc(F)cc(F)c1)C1CCCC1 ZINC000155851669 684281235 /nfs/dbraw/zinc/28/12/35/684281235.db2.gz QKDNCKJKUHNJNK-UHFFFAOYSA-N 0 0 306.356 2.459 10 30 DEEERN Cn1cc(C#N)cc1C(=O)O[C@H]([C@@H]1CCCO1)C(F)(F)F ZINC000158803465 684304669 /nfs/dbraw/zinc/30/46/69/684304669.db2.gz AFRXMLSPJDKGNP-WDEREUQCSA-N 0 0 302.252 2.163 10 30 DEEERN C=C[C@H](C)OC(=O)c1ccc(N2CCCS2(=O)=O)cc1C ZINC000187507265 684339026 /nfs/dbraw/zinc/33/90/26/684339026.db2.gz FZLJODSGYQSZEG-LBPRGKRZSA-N 0 0 309.387 2.266 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)c1oc(CC(C)C)nc1C ZINC000188698304 684361692 /nfs/dbraw/zinc/36/16/92/684361692.db2.gz LJFATMOYBQJZGV-UHFFFAOYSA-N 0 0 308.378 2.373 10 30 DEEERN C#CCCCC(=O)OC[C@H]1CCCN1CC(=O)OC(C)(C)C ZINC000191296543 684425362 /nfs/dbraw/zinc/42/53/62/684425362.db2.gz DGTJFYRLIAFCJV-CQSZACIVSA-N 0 0 309.406 2.139 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)CCc1ccccc1O ZINC000194478677 685067596 /nfs/dbraw/zinc/06/75/96/685067596.db2.gz BSEPGWWVDHEOAP-UHFFFAOYSA-N 0 0 322.364 2.327 10 30 DEEERN CO[C@@H]1C[C@@H](COc2cccnc2)N(c2nccc(C)c2C#N)C1 ZINC000886048188 691992089 /nfs/dbraw/zinc/99/20/89/691992089.db2.gz PWHHLFNDILKKKK-GOEBONIOSA-N 0 0 324.384 2.329 10 30 DEEERN CO[C@@H]1C[C@@H](COc2cccnc2)N(c2ccc(C#N)nc2)C1 ZINC000886051605 691993215 /nfs/dbraw/zinc/99/32/15/691993215.db2.gz OMIAVOFELBIPOC-DOTOQJQBSA-N 0 0 310.357 2.021 10 30 DEEERN Cc1cccnc1C=CC(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000588456391 777218600 /nfs/dbraw/zinc/21/86/00/777218600.db2.gz DIPRMKFZFYZYCK-MEJMFZKBSA-N 0 0 306.325 2.146 10 30 DEEERN C=C(COC(=O)c1cccc(-c2cnn(C)c2)c1)C(=O)OCC ZINC000745216545 784700797 /nfs/dbraw/zinc/70/07/97/784700797.db2.gz HQVUDJVDAKDOLC-UHFFFAOYSA-N 0 0 314.341 2.363 10 30 DEEERN N#Cc1ccc(CS(=O)(=O)NCC[C@@H]2CCCS2)cc1 ZINC000715967419 792540460 /nfs/dbraw/zinc/54/04/60/792540460.db2.gz MTQPEIAPEQGDLR-AWEZNQCLSA-N 0 0 310.444 2.263 10 30 DEEERN C#CC[C@@H](COC)NC(=O)c1ccc(Br)s1 ZINC000716885819 793019973 /nfs/dbraw/zinc/01/99/73/793019973.db2.gz CFRWAFDPPZGBAT-QMMMGPOBSA-N 0 0 302.193 2.279 10 30 DEEERN CC[C@H](C[C@H](C)O)NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000716952714 797942891 /nfs/dbraw/zinc/94/28/91/797942891.db2.gz ICFCCYUECPNIOW-GXSJLCMTSA-N 0 0 316.810 2.039 10 30 DEEERN C#CC[C@H](CO)NC(=O)/C=C/c1ccc(C)cc1Br ZINC000717702998 799428473 /nfs/dbraw/zinc/42/84/73/799428473.db2.gz NDJJCKXKBZPGQR-SBDDDAINSA-N 0 0 322.202 2.271 10 30 DEEERN N#Cc1cccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000403512330 801944406 /nfs/dbraw/zinc/94/44/06/801944406.db2.gz MLADVTJOHXPBST-YHWZYXNKSA-N 0 0 308.428 2.263 10 30 DEEERN CC1(NS(=O)(=O)Cc2ccc(C#N)cc2)CC(F)(F)C1 ZINC000720992906 1085305452 /nfs/dbraw/zinc/30/54/52/1085305452.db2.gz IXLIZINUSOCXAR-UHFFFAOYSA-N 0 0 300.330 2.165 10 30 DEEERN C[C@H](CN(C)C(=O)OC(C)(C)C)NCc1nc(C#N)cs1 ZINC000701898772 1086390981 /nfs/dbraw/zinc/39/09/81/1086390981.db2.gz JSPQNWYYOHSXLM-SNVBAGLBSA-N 0 0 310.423 2.360 10 30 DEEERN N#Cc1ccc(CS(=O)(=O)NCC[C@H]2CCSC2)cc1 ZINC000704786643 1086591474 /nfs/dbraw/zinc/59/14/74/1086591474.db2.gz IHZQFYANLJTIQN-ZDUSSCGKSA-N 0 0 310.444 2.121 10 30 DEEERN C#CC1(O)CCN(Cc2ccc(Br)s2)CC1 ZINC000708132661 1086677301 /nfs/dbraw/zinc/67/73/01/1086677301.db2.gz AZPIAPGSCUZOBJ-UHFFFAOYSA-N 0 0 300.221 2.471 10 30 DEEERN C#CC1(O)CCN(C(=O)c2ccsc2Br)CC1 ZINC000708112920 1086677360 /nfs/dbraw/zinc/67/73/60/1086677360.db2.gz DTUOKYIJWCKWJG-UHFFFAOYSA-N 0 0 314.204 2.111 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)NCc1noc(C)n1 ZINC000074610021 185002776 /nfs/dbraw/zinc/00/27/76/185002776.db2.gz LBWSPHMZLKKULJ-UHFFFAOYSA-N 0 0 304.325 2.415 10 30 DEEERN C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[C@@H]2COC[C@@H]2C1 ZINC000624844421 365568673 /nfs/dbraw/zinc/56/86/73/365568673.db2.gz TWTMDVIULZZACB-APIJFGDWSA-N 0 0 318.421 2.177 10 30 DEEERN C=CCn1c([C@@H]2CCCCO2)nnc1N1CC2(C1)CCCO2 ZINC000624831723 365564310 /nfs/dbraw/zinc/56/43/10/365564310.db2.gz WKCCFPJYZGUCIS-ZDUSSCGKSA-N 0 0 304.394 2.075 10 30 DEEERN C=CCn1c(-c2scnc2C)nnc1N(C)CC1(C)COC1 ZINC000624841124 365567351 /nfs/dbraw/zinc/56/73/51/365567351.db2.gz UJCZYZRNLLRLSW-UHFFFAOYSA-N 0 0 319.434 2.369 10 30 DEEERN C=CCN(CC=C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000278375380 214125874 /nfs/dbraw/zinc/12/58/74/214125874.db2.gz LAJWCTDHIIKPMT-HNNXBMFYSA-N 0 0 317.437 2.081 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000612083287 361741565 /nfs/dbraw/zinc/74/15/65/361741565.db2.gz XTWMEWRGXBVXHR-KKUMJFAQSA-N 0 0 310.463 2.344 10 30 DEEERN C[C@]1(NC(=O)NCc2ccc(C#N)cc2F)CCO[C@@H]1C1CC1 ZINC000612371756 361806469 /nfs/dbraw/zinc/80/64/69/361806469.db2.gz PAFHHIVFNMPRCL-WBVHZDCISA-N 0 0 317.364 2.454 10 30 DEEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612365279 361804087 /nfs/dbraw/zinc/80/40/87/361804087.db2.gz UTCYSTKUYKVPQT-IRXDYDNUSA-N 0 0 319.405 2.400 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC2(C1)CCCO2 ZINC000624975760 365604578 /nfs/dbraw/zinc/60/45/78/365604578.db2.gz WFOPWSVKFKXMBW-CQSZACIVSA-N 0 0 318.421 2.465 10 30 DEEERN C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N(C[C@@H](C)O)C1CC1 ZINC000624987455 365607287 /nfs/dbraw/zinc/60/72/87/365607287.db2.gz OSFCXUKSBKQEFL-IPYPFGDCSA-N 0 0 320.437 2.444 10 30 DEEERN COC(=O)[C@H](C)CSCCC(=O)Nc1sccc1C#N ZINC000078823633 185115926 /nfs/dbraw/zinc/11/59/26/185115926.db2.gz XPVZHFUGHDWYTR-SECBINFHSA-N 0 0 312.416 2.491 10 30 DEEERN C=CCCOCCNC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC000613018612 361983809 /nfs/dbraw/zinc/98/38/09/361983809.db2.gz ZFQAMOOXGLDWIY-UHFFFAOYSA-N 0 0 304.268 2.129 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)OCC(=O)N1CCc2ccccc21 ZINC000278798713 214409915 /nfs/dbraw/zinc/40/99/15/214409915.db2.gz XIPJXQRAFGSSNS-RHSMWYFYSA-N 0 0 315.369 2.100 10 30 DEEERN CC(C)(C)c1nn(CCC#N)c(N)c1I ZINC000087418649 185224441 /nfs/dbraw/zinc/22/44/41/185224441.db2.gz XIKYQVKPGJUJIZ-UHFFFAOYSA-N 0 0 318.162 2.281 10 30 DEEERN CON(C)C(=O)c1ccc(C2c3cc(C#N)ccc3NC2=O)nc1 ZINC000087493484 185226667 /nfs/dbraw/zinc/22/66/67/185226667.db2.gz CFDUQEQQWNXQBP-UHFFFAOYSA-N 0 0 322.324 2.441 10 30 DEEERN COc1ccc(C#CCCO)c(CSc2cnn(C)c2)c1 ZINC000087788944 185232146 /nfs/dbraw/zinc/23/21/46/185232146.db2.gz MTIXJUHJGSLUKJ-UHFFFAOYSA-N 0 0 302.399 2.455 10 30 DEEERN Cc1cc(CNC(=O)c2cncc(C#CCO)c2)sc1C ZINC000087582595 185229105 /nfs/dbraw/zinc/22/91/05/185229105.db2.gz AIOUFMUPOHAFTQ-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN CN1CCN([C@H](C#N)c2ccc(Br)cc2F)CC1 ZINC000088044919 185238028 /nfs/dbraw/zinc/23/80/28/185238028.db2.gz JFCCCNKOGKHGHX-CYBMUJFWSA-N 0 0 312.186 2.400 10 30 DEEERN CC[C@H](C#N)S(=O)(=O)Nc1ccc(N)cc1Br ZINC000088467967 185251874 /nfs/dbraw/zinc/25/18/74/185251874.db2.gz SWQWDUNXJISESF-MRVPVSSYSA-N 0 0 318.196 2.075 10 30 DEEERN CC[C@@H](C#N)S(=O)(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000088485537 185253060 /nfs/dbraw/zinc/25/30/60/185253060.db2.gz KWMPRAWJDJTVMC-NSHDSACASA-N 0 0 306.309 2.427 10 30 DEEERN Cc1ccccc1S(=O)(=O)Nc1cccc(C#CC[NH3+])c1 ZINC000088716542 185263212 /nfs/dbraw/zinc/26/32/12/185263212.db2.gz VIFUXDMXTOSPQW-UHFFFAOYSA-N 0 0 300.383 2.106 10 30 DEEERN C=C[C@](C)(O)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000613108378 362005794 /nfs/dbraw/zinc/00/57/94/362005794.db2.gz RUZHULPBPRNDTE-YCPHGPKFSA-N 0 0 308.809 2.138 10 30 DEEERN C=CCCO[C@@H](C)C(=O)Nc1c[nH]cc(Br)c1=O ZINC000089990351 185274978 /nfs/dbraw/zinc/27/49/78/185274978.db2.gz DSELQBVLJYNWBD-QMMMGPOBSA-N 0 0 315.167 2.057 10 30 DEEERN C=CCOCCNC(=O)c1ccc(Nc2ccn(C)n2)cc1 ZINC000613363680 362092091 /nfs/dbraw/zinc/09/20/91/362092091.db2.gz LKSSXBRKXSAENH-UHFFFAOYSA-N 0 0 300.362 2.096 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000613450960 362117439 /nfs/dbraw/zinc/11/74/39/362117439.db2.gz JGSSUNNKOHMZRH-CQSZACIVSA-N 0 0 319.409 2.193 10 30 DEEERN CCOC(=O)[C@]1(CC)O[C@]1(C)c1ccc(S(C)(=O)=O)cc1 ZINC000092597801 185328423 /nfs/dbraw/zinc/32/84/23/185328423.db2.gz GHQUYZGUTPFDDC-CABCVRRESA-N 0 0 312.387 2.047 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cc(OC)cc(OC)c2)C1 ZINC000625349427 365741501 /nfs/dbraw/zinc/74/15/01/365741501.db2.gz BCEFXZRDCFOUDO-LBPRGKRZSA-N 0 0 311.403 2.291 10 30 DEEERN Cn1c2c(nc1[C@H]1CCCN1C(=O)c1c[nH]c(C#N)c1)CCCC2 ZINC000279184751 214686580 /nfs/dbraw/zinc/68/65/80/214686580.db2.gz KRNJBVIHAZUILO-MRXNPFEDSA-N 0 0 323.400 2.476 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)Cc1ccc(O)cc1 ZINC000625416671 365775153 /nfs/dbraw/zinc/77/51/53/365775153.db2.gz SPUQPZNCSYREQJ-UHFFFAOYSA-N 0 0 304.390 2.069 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000425507934 334952159 /nfs/dbraw/zinc/95/21/59/334952159.db2.gz GWBPSQUWASSLBF-ZFWWWQNUSA-N 0 0 319.361 2.294 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1ccc2[nH]ccc2c1 ZINC000614458014 362386040 /nfs/dbraw/zinc/38/60/40/362386040.db2.gz AQBOPAUIILPJRS-KRWDZBQOSA-N 0 0 313.401 2.298 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000614477926 362393521 /nfs/dbraw/zinc/39/35/21/362393521.db2.gz VQPFLBJIRNECPD-CHWSQXEVSA-N 0 0 302.365 2.399 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCCN(Cc2ncon2)C1 ZINC000614664029 362431371 /nfs/dbraw/zinc/43/13/71/362431371.db2.gz BGLVFWJVILDCNR-KBPBESRZSA-N 0 0 306.410 2.000 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H](c2ccncc2)C1 ZINC000614818322 362469700 /nfs/dbraw/zinc/46/97/00/362469700.db2.gz MSKOMNUMPZLNJQ-DLBZAZTESA-N 0 0 315.417 2.259 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(C(C)=O)c1O ZINC000614860265 362477077 /nfs/dbraw/zinc/47/70/77/362477077.db2.gz GBLGMHQSEJQESN-CQSZACIVSA-N 0 0 304.346 2.004 10 30 DEEERN O=C(NCc1cc(F)ccc1F)c1sccc1C#CCO ZINC000111537206 185611505 /nfs/dbraw/zinc/61/15/05/185611505.db2.gz OLGHWIMBOAUJPE-UHFFFAOYSA-N 0 0 307.321 2.300 10 30 DEEERN Cc1sccc1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000615743300 362696137 /nfs/dbraw/zinc/69/61/37/362696137.db2.gz IIINTNKDCGJWFO-HNNXBMFYSA-N 0 0 305.447 2.291 10 30 DEEERN C=CC(C)(C)CNC(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000615831687 362711291 /nfs/dbraw/zinc/71/12/91/362711291.db2.gz QJZAGWZYVNLCSS-MNOVXSKESA-N 0 0 309.328 2.299 10 30 DEEERN C=CCCN(C)C(=O)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000625557548 365829184 /nfs/dbraw/zinc/82/91/84/365829184.db2.gz OSJXYXLETAQUSR-UHFFFAOYSA-N 0 0 320.336 2.418 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000616453268 362862251 /nfs/dbraw/zinc/86/22/51/362862251.db2.gz AGQCQUKRBGRPNL-IRXDYDNUSA-N 0 0 316.401 2.137 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC2(CC2(F)F)CC1 ZINC000616541700 362885035 /nfs/dbraw/zinc/88/50/35/362885035.db2.gz UENVKIMSAPXSPT-GFCCVEGCSA-N 0 0 300.349 2.105 10 30 DEEERN C[C@H](NC(=O)[C@H]1CCSC1)c1ccc(C#CCCO)cc1 ZINC000070437986 190892744 /nfs/dbraw/zinc/89/27/44/190892744.db2.gz GMKBCPSOFNVFTJ-BBRMVZONSA-N 0 0 303.427 2.351 10 30 DEEERN O=C(C#Cc1ccccc1)NC1CCN(c2ccccn2)CC1 ZINC000080551832 192167000 /nfs/dbraw/zinc/16/70/00/192167000.db2.gz JRURADSWNDQLFS-UHFFFAOYSA-N 0 0 305.381 2.218 10 30 DEEERN Cc1cccnc1C(=O)NCc1cc(C#CCCO)cs1 ZINC000071322037 190958075 /nfs/dbraw/zinc/95/80/75/190958075.db2.gz KIGXKUPXIJYMAD-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN C=C1CCN(C(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)CC1 ZINC000595462658 358455318 /nfs/dbraw/zinc/45/53/18/358455318.db2.gz RLRHXFYCQNXFMS-HNNXBMFYSA-N 0 0 301.390 2.015 10 30 DEEERN N#Cc1ccccc1NC(=O)C[S@@](=O)c1ccc(F)cc1 ZINC000084258450 192417941 /nfs/dbraw/zinc/41/79/41/192417941.db2.gz QMZJVGUPOPHJOY-NRFANRHFSA-N 0 0 302.330 2.444 10 30 DEEERN CC(C)(C)c1ccc2c(c1)[C@H](C#N)N(CCOCCO)C2=O ZINC000071680300 191005194 /nfs/dbraw/zinc/00/51/94/191005194.db2.gz ATJMSVFGUNNZKW-HNNXBMFYSA-N 0 0 302.374 2.013 10 30 DEEERN COc1cccc2c1C(=O)N(CCCCn1ccnc1)[C@H]2C#N ZINC000071678715 191006152 /nfs/dbraw/zinc/00/61/52/191006152.db2.gz SLRNTHUPGHTKGD-AWEZNQCLSA-N 0 0 310.357 2.393 10 30 DEEERN Cc1cc(C(=O)N2CCS[C@@H](C)[C@H]2C)sc1C#CCO ZINC000133643861 186002881 /nfs/dbraw/zinc/00/28/81/186002881.db2.gz JCGUQADFUWHHBL-NEPJUHHUSA-N 0 0 309.456 2.366 10 30 DEEERN C[C@H]1SCCN(C(=O)c2ccc(C#CCO)cc2F)[C@H]1C ZINC000133657699 186004022 /nfs/dbraw/zinc/00/40/22/186004022.db2.gz CAXMRNWPCSJZLL-NWDGAFQWSA-N 0 0 307.390 2.136 10 30 DEEERN C#CCC[C@H](NN)c1ccccc1I ZINC000133695036 186007490 /nfs/dbraw/zinc/00/74/90/186007490.db2.gz PLRNFIKNLUMDMX-NSHDSACASA-N 0 0 300.143 2.209 10 30 DEEERN C[C@@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1C ZINC000147439424 186039996 /nfs/dbraw/zinc/03/99/96/186039996.db2.gz JZXRJCNJLCZXJT-ZIAGYGMSSA-N 0 0 306.431 2.452 10 30 DEEERN C[C@@H]1CCC[C@H](C)N1NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000147788111 186041927 /nfs/dbraw/zinc/04/19/27/186041927.db2.gz YNLOPBFXKNLMGF-PHIMTYICSA-N 0 0 311.382 2.154 10 30 DEEERN O=C(NCc1sccc1C#CCO)c1ccc(F)c(F)c1 ZINC000148585773 186045067 /nfs/dbraw/zinc/04/50/67/186045067.db2.gz IAPGQLFSFZCSGB-UHFFFAOYSA-N 0 0 307.321 2.300 10 30 DEEERN Cc1nn(C)c(C)c1CCNC(=O)Nc1ccc(F)c(C#N)c1 ZINC000171085573 197878687 /nfs/dbraw/zinc/87/86/87/197878687.db2.gz DBNPEIPWAMEHTG-UHFFFAOYSA-N 0 0 315.352 2.412 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@@H](C(=O)OC)c1cccc(O)c1 ZINC000271949489 186414300 /nfs/dbraw/zinc/41/43/00/186414300.db2.gz SZNHRYSPUQKUGJ-OAHLLOKOSA-N 0 0 303.358 2.491 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(OCC(N)=O)cc1 ZINC000617035321 363007014 /nfs/dbraw/zinc/00/70/14/363007014.db2.gz KJWXWPUBAJOVSQ-BBRMVZONSA-N 0 0 316.401 2.415 10 30 DEEERN N#CCCCS(=O)(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000171980707 198019998 /nfs/dbraw/zinc/01/99/98/198019998.db2.gz GSNSPGGWHUMXTA-HNNXBMFYSA-N 0 0 310.394 2.466 10 30 DEEERN C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C1CCCC1 ZINC000172246707 198064625 /nfs/dbraw/zinc/06/46/25/198064625.db2.gz LMRZMVMGCIOSPT-JTQLQIEISA-N 0 0 303.337 2.331 10 30 DEEERN COCC1CCN(C(=O)NC[C@H]2CCCn3cc(C)nc32)CC1 ZINC000328701021 539909888 /nfs/dbraw/zinc/90/98/88/539909888.db2.gz IZALXQPRPRKVRQ-OAHLLOKOSA-N 0 0 320.437 2.341 10 30 DEEERN CC1(C)NC(=O)CC[C@H]1NC(=O)NCc1cn2c(n1)CCCC2 ZINC000328757382 539910434 /nfs/dbraw/zinc/91/04/34/539910434.db2.gz UXYMHMXEWAWKCH-GFCCVEGCSA-N 0 0 319.409 2.121 10 30 DEEERN C=CCN(C(=O)CCc1ccc2c(c1)OCCO2)[C@H](C)COC ZINC000617576276 363193902 /nfs/dbraw/zinc/19/39/02/363193902.db2.gz PUGQPAYLOWNUKC-CQSZACIVSA-N 0 0 319.401 2.440 10 30 DEEERN C[C@H](Cc1cccc(O)c1)NC(=O)N1CC2(C1)CCCOC2 ZINC000329233265 539915791 /nfs/dbraw/zinc/91/57/91/539915791.db2.gz GSYUOFWWKGVBRT-CYBMUJFWSA-N 0 0 304.390 2.350 10 30 DEEERN CCn1cc(-c2n[nH]cc2C(=O)NC[C@@H]2CCCC[C@@H]2O)cn1 ZINC000330331224 539937699 /nfs/dbraw/zinc/93/76/99/539937699.db2.gz XKHOOSCYMADAON-FZMZJTMJSA-N 0 0 317.393 2.149 10 30 DEEERN C=CCN(C(=O)c1ccnn1CC(F)(F)F)[C@H](C)COC ZINC000617584118 363197076 /nfs/dbraw/zinc/19/70/76/363197076.db2.gz XBYVPJNGRRTSPX-SNVBAGLBSA-N 0 0 305.300 2.109 10 30 DEEERN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCS[C@@H](C)C1 ZINC000338810510 539984324 /nfs/dbraw/zinc/98/43/24/539984324.db2.gz NOPFPIUTZFUBND-QWHCGFSZSA-N 0 0 308.451 2.300 10 30 DEEERN CN1CCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C[C@H]1C#N ZINC000329961016 282884237 /nfs/dbraw/zinc/88/42/37/282884237.db2.gz OHOGJAQUJAPJGJ-ZJIFWQFVSA-N 0 0 304.438 2.399 10 30 DEEERN COc1cc(/C=N/n2c(C)nc3ccccc3c2=O)ccc1O ZINC000003347100 181009994 /nfs/dbraw/zinc/00/99/94/181009994.db2.gz SRBIUYZVNZVDKP-VCHYOVAHSA-N 0 0 309.325 2.301 10 30 DEEERN CCOc1ccc(S(=O)(=O)N/N=C/c2ccc(C)o2)cc1 ZINC000003575206 181036289 /nfs/dbraw/zinc/03/62/89/181036289.db2.gz XFGXBLBSSQGNFN-XNTDXEJSSA-N 0 0 308.359 2.299 10 30 DEEERN N#Cc1ccc(CCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 ZINC000031043194 354131974 /nfs/dbraw/zinc/13/19/74/354131974.db2.gz HNUPEKISIFJYOF-MRXNPFEDSA-N 0 0 322.364 2.447 10 30 DEEERN C=CCN(CC=C)C(=O)C1CCN(C(=O)c2ccoc2)CC1 ZINC000044668267 354240476 /nfs/dbraw/zinc/24/04/76/354240476.db2.gz XNUKJOVMRUCCOZ-UHFFFAOYSA-N 0 0 302.374 2.332 10 30 DEEERN C=CCCO[C@@H](C)C(=O)Nc1ccc2c(c1)CCN(C)C2=O ZINC000618086137 363370713 /nfs/dbraw/zinc/37/07/13/363370713.db2.gz IKJJYARIDSOTDO-LBPRGKRZSA-N 0 0 302.374 2.234 10 30 DEEERN C=CCOc1ccc(CC(=O)N2C[C@@H](C)C(O)[C@H](C)C2)cc1 ZINC000618277927 363444598 /nfs/dbraw/zinc/44/45/98/363444598.db2.gz SDLJQMQGUXMQKH-ZIAGYGMSSA-N 0 0 303.402 2.269 10 30 DEEERN C=CCN(CC=C)C(=O)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000077262472 355193682 /nfs/dbraw/zinc/19/36/82/355193682.db2.gz NTWIWMOYAKWEOW-UHFFFAOYSA-N 0 0 307.415 2.223 10 30 DEEERN N#Cc1ccc(CNC(=O)NC[C@H]2CCCC[C@H]2O)c(F)c1 ZINC000077822773 355231565 /nfs/dbraw/zinc/23/15/65/355231565.db2.gz GRZAPEIHYKZIAP-UKRRQHHQSA-N 0 0 305.353 2.048 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000077861197 355234312 /nfs/dbraw/zinc/23/43/12/355234312.db2.gz JLQJRRJGUUPECP-UHFFFAOYSA-N 0 0 318.373 2.211 10 30 DEEERN N#Cc1cccc(NC(=O)Cc2ccc3c(c2)NC(=O)CCO3)c1 ZINC000074966885 191398028 /nfs/dbraw/zinc/39/80/28/191398028.db2.gz IQKODHURVKYBBX-UHFFFAOYSA-N 0 0 321.336 2.460 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1c(C)cnn1-c1ccccc1 ZINC000448377251 540187160 /nfs/dbraw/zinc/18/71/60/540187160.db2.gz RPUMIERGMKVXCN-UHFFFAOYSA-N 0 0 312.373 2.202 10 30 DEEERN C=CCCn1cc(CN(CC)[C@@H](C)C(=O)OC(C)(C)C)nn1 ZINC000595605490 358498568 /nfs/dbraw/zinc/49/85/68/358498568.db2.gz JSYWKUQJCNOQMB-ZDUSSCGKSA-N 0 0 308.426 2.406 10 30 DEEERN CC[C@]1(C)NC(=O)N(N=CC=Cc2ccccc2OC)C1=O ZINC000106541744 355724191 /nfs/dbraw/zinc/72/41/91/355724191.db2.gz WDVOMVDHSGYROV-WBXUOGTFSA-N 0 0 301.346 2.415 10 30 DEEERN COc1cccc(CNC(=O)[C@@H](C)Oc2ccccc2C#N)n1 ZINC000128272114 355827361 /nfs/dbraw/zinc/82/73/61/355827361.db2.gz WSNVBPGCAQTKLV-GFCCVEGCSA-N 0 0 311.341 2.046 10 30 DEEERN N#Cc1cc(C#N)c(SCc2cnc3ccccn23)nc1N ZINC000179689607 356030709 /nfs/dbraw/zinc/03/07/09/356030709.db2.gz YOSUKKNNCQWVCO-UHFFFAOYSA-N 0 0 306.354 2.347 10 30 DEEERN CC1(C)CN(S(=O)(=O)CC2(C#N)CC2)CC2(CCCC2)O1 ZINC000190769940 356217701 /nfs/dbraw/zinc/21/77/01/356217701.db2.gz HFRMONIGQYLKKE-UHFFFAOYSA-N 0 0 312.435 2.044 10 30 DEEERN C=CC1CCN(C(=O)Nc2nn(C)cc2C(=O)OCC)CC1 ZINC000184025520 356184050 /nfs/dbraw/zinc/18/40/50/356184050.db2.gz FYGVECYJAFYBIF-UHFFFAOYSA-N 0 0 306.366 2.027 10 30 DEEERN C[C@H]1C[C@@H](O)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000330208455 291085362 /nfs/dbraw/zinc/08/53/62/291085362.db2.gz GTSHWDXBTZOGTR-CIQGVGRVSA-N 0 0 311.426 2.279 10 30 DEEERN COc1ccc(NC(C)=O)cc1NC(=O)c1cc(C#N)cn1C ZINC000080939985 192203496 /nfs/dbraw/zinc/20/34/96/192203496.db2.gz NVYSMGPQYZDNPY-UHFFFAOYSA-N 0 0 312.329 2.116 10 30 DEEERN COC(=O)c1ccc(C)c(C#N)c1I ZINC000306606187 356404434 /nfs/dbraw/zinc/40/44/34/356404434.db2.gz REIYICKRXPKCRT-UHFFFAOYSA-N 0 0 301.083 2.258 10 30 DEEERN O=CC[C@H](O)c1c(Br)cncc1Br ZINC000306618730 356404638 /nfs/dbraw/zinc/40/46/38/356404638.db2.gz TYDGTZAGUINURX-ZETCQYMHSA-N 0 0 308.957 2.229 10 30 DEEERN COC(=O)c1cc(F)c(I)cc1C#N ZINC000306906039 356406321 /nfs/dbraw/zinc/40/63/21/356406321.db2.gz YJYFXEJGWBJFCJ-UHFFFAOYSA-N 0 0 305.046 2.089 10 30 DEEERN CCCn1cc(NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)cn1 ZINC000328627943 356464112 /nfs/dbraw/zinc/46/41/12/356464112.db2.gz NEZDYCMNGBTRIQ-TZMCWYRMSA-N 0 0 303.366 2.392 10 30 DEEERN Cc1ccc2nc(NC(N)=NC(=O)c3ccccc3N)oc2c1 ZINC000005798950 181285322 /nfs/dbraw/zinc/28/53/22/181285322.db2.gz VSLIPQAXTNNPMK-UHFFFAOYSA-N 0 0 309.329 2.285 10 30 DEEERN COC(=O)c1ccc(-c2noc(-c3cc(C#N)cn3C)n2)cc1 ZINC000081533869 192284931 /nfs/dbraw/zinc/28/49/31/192284931.db2.gz QXOOZQJMIVVYTQ-UHFFFAOYSA-N 0 0 308.297 2.400 10 30 DEEERN C=CCNC(=O)Cc1noc([C@@H]2C[C@@H]2c2cccc(OC)c2)n1 ZINC000350694815 356559309 /nfs/dbraw/zinc/55/93/09/356559309.db2.gz NJHGRZZDVNNOSA-ZIAGYGMSSA-N 0 0 313.357 2.194 10 30 DEEERN C=CCNC(=O)Cc1noc(-c2ccc3c(c2O)CCCC3)n1 ZINC000350704956 356560704 /nfs/dbraw/zinc/56/07/04/356560704.db2.gz WGOFHXFZCKZMMT-UHFFFAOYSA-N 0 0 313.357 2.166 10 30 DEEERN C[C@H]1Cc2ccccc2N1CCNC(=O)c1cc(C#N)cn1C ZINC000081726746 192317926 /nfs/dbraw/zinc/31/79/26/192317926.db2.gz GEOZBHMCLVOSKM-ZDUSSCGKSA-N 0 0 308.385 2.078 10 30 DEEERN C=CCOCCCNC(=O)c1cc(Cl)ccc1-n1cncn1 ZINC000618516669 363513623 /nfs/dbraw/zinc/51/36/23/363513623.db2.gz SDLWIQRQBUSTRL-UHFFFAOYSA-N 0 0 320.780 2.243 10 30 DEEERN C=CCOCCCNC(=O)c1ccc2[nH]c(OCC)nc2c1 ZINC000618524794 363515508 /nfs/dbraw/zinc/51/55/08/363515508.db2.gz PWDIHKMBFCZZCL-UHFFFAOYSA-N 0 0 303.362 2.284 10 30 DEEERN C=CCOCCCNC(=O)C[C@@H]1COc2cc(OC)ccc21 ZINC000618526345 363517029 /nfs/dbraw/zinc/51/70/29/363517029.db2.gz PYEOEWZCAVYIBA-CYBMUJFWSA-N 0 0 305.374 2.270 10 30 DEEERN C=CCOCCCNC(=O)CCc1nc(C2CCCC2)no1 ZINC000618526786 363517129 /nfs/dbraw/zinc/51/71/29/363517129.db2.gz XHUVZAKMOVWOPI-UHFFFAOYSA-N 0 0 307.394 2.369 10 30 DEEERN C=CCOCCCNC(=O)[C@H]1CCN(c2ccccc2F)C1 ZINC000618525861 363517730 /nfs/dbraw/zinc/51/77/30/363517730.db2.gz MZVYMPCJZWWXIV-AWEZNQCLSA-N 0 0 306.381 2.361 10 30 DEEERN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1N)c1ccccc1 ZINC000085915590 192539892 /nfs/dbraw/zinc/53/98/92/192539892.db2.gz ILCQNVGCBUNYMZ-NSHDSACASA-N 0 0 301.371 2.180 10 30 DEEERN N#Cc1c(C(F)(F)F)ccc(S(N)(=O)=O)c1C(F)(F)F ZINC000514281485 356741794 /nfs/dbraw/zinc/74/17/94/356741794.db2.gz GLDKKWWVVKRGLU-UHFFFAOYSA-N 0 0 318.198 2.243 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(NC(C)=O)ccc1C ZINC000579228181 356942122 /nfs/dbraw/zinc/94/21/22/356942122.db2.gz CCLVJGDLMUBBPL-BBRMVZONSA-N 0 0 302.374 2.274 10 30 DEEERN C=CCCCCCNC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000579254256 356948524 /nfs/dbraw/zinc/94/85/24/356948524.db2.gz CLKNQKVKFUTZHC-ZDUSSCGKSA-N 0 0 321.421 2.102 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccc(OC)c2cccnc12 ZINC000579314121 356953751 /nfs/dbraw/zinc/95/37/51/356953751.db2.gz FJMAFRNVDCHSTL-UHFFFAOYSA-N 0 0 313.357 2.264 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000579346367 356960458 /nfs/dbraw/zinc/96/04/58/356960458.db2.gz POGVPZHUSGWBHC-ZVDSWSACSA-N 0 0 320.433 2.224 10 30 DEEERN C=C(C)CS(=O)(=O)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000579832353 357039136 /nfs/dbraw/zinc/03/91/36/357039136.db2.gz YGRDDUQNVIVOFP-OLZOCXBDSA-N 0 0 317.451 2.192 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cccc2c1OCO2 ZINC000581080219 357128409 /nfs/dbraw/zinc/12/84/09/357128409.db2.gz MQFXUSZBQKHKRM-UHFFFAOYSA-N 0 0 304.346 2.216 10 30 DEEERN CC(=O)N1CC[C@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000581731094 357240260 /nfs/dbraw/zinc/24/02/60/357240260.db2.gz KMHBVKMNMQJSQY-NVXWUHKLSA-N 0 0 313.401 2.059 10 30 DEEERN C=CCC1(C(=O)N[C@H]2CCc3nc(C)ncc3C2)CCOCC1 ZINC000581662433 357225695 /nfs/dbraw/zinc/22/56/95/357225695.db2.gz KEOLLIHLEVJROR-HNNXBMFYSA-N 0 0 315.417 2.131 10 30 DEEERN C=CCCS(=O)(=O)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000584718534 357297095 /nfs/dbraw/zinc/29/70/95/357297095.db2.gz VBHCTPQQAMXHOC-OLZOCXBDSA-N 0 0 317.451 2.192 10 30 DEEERN CC(=O)N1CCN(Cc2ccncc2C#N)CC12CCCCC2 ZINC000592088144 357827251 /nfs/dbraw/zinc/82/72/51/357827251.db2.gz FUSZEDCFBWOYLI-UHFFFAOYSA-N 0 0 312.417 2.320 10 30 DEEERN CC#CC[C@H](CO)NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000592926683 357974521 /nfs/dbraw/zinc/97/45/21/357974521.db2.gz VKXNKEUKSRSKEI-OAHLLOKOSA-N 0 0 317.385 2.146 10 30 DEEERN COC(=O)C1CCC(C(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000179884057 199091508 /nfs/dbraw/zinc/09/15/08/199091508.db2.gz NZYRGYVLGAKUNO-UHFFFAOYSA-N 0 0 314.385 2.496 10 30 DEEERN C=CCC[C@@H](CO)NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593603330 358109639 /nfs/dbraw/zinc/10/96/39/358109639.db2.gz AWYMQLSCPJDFRA-AWEZNQCLSA-N 0 0 322.430 2.093 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000593739408 358134295 /nfs/dbraw/zinc/13/42/95/358134295.db2.gz ZOLGPWHAQGRFCV-MJBXVCDLSA-N 0 0 311.422 2.188 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000185203942 199823955 /nfs/dbraw/zinc/82/39/55/199823955.db2.gz PSNGDBRPZRQGNZ-CQSZACIVSA-N 0 0 318.417 2.372 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000185222946 199827017 /nfs/dbraw/zinc/82/70/17/199827017.db2.gz KOSSIACEJMPOOF-IUODEOHRSA-N 0 0 316.405 2.496 10 30 DEEERN CCN1CC[C@H](Nc2ccc(Br)c(C#N)c2)C1=O ZINC000594704488 358321685 /nfs/dbraw/zinc/32/16/85/358321685.db2.gz JPPFBHZXMZNBAJ-LBPRGKRZSA-N 0 0 308.179 2.353 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000594789559 358337441 /nfs/dbraw/zinc/33/74/41/358337441.db2.gz NHJKOBOODNBOOP-SWLSCSKDSA-N 0 0 305.403 2.366 10 30 DEEERN C=CCCSCCNC(=O)C(=O)N(C)Cc1ccc(F)cc1 ZINC000595122949 358392261 /nfs/dbraw/zinc/39/22/61/358392261.db2.gz DEWGGIQCVIKMHK-UHFFFAOYSA-N 0 0 324.421 2.210 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000595209578 358401691 /nfs/dbraw/zinc/40/16/91/358401691.db2.gz JGZRDQGVZJOFHY-IYBDPMFKSA-N 0 0 309.369 2.401 10 30 DEEERN C=CCC[C@H](O)CN(C)[C@H](C(=O)OC)c1cccc(OC)c1 ZINC000595676457 358519939 /nfs/dbraw/zinc/51/99/39/358519939.db2.gz GDIQADHUBRGNCC-HOCLYGCPSA-N 0 0 307.390 2.168 10 30 DEEERN C=CCCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC ZINC000596409959 358680596 /nfs/dbraw/zinc/68/05/96/358680596.db2.gz NNBNQUHHOJATAJ-UHFFFAOYSA-N 0 0 313.379 2.271 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C#N)ccc1NC ZINC000597605425 358961392 /nfs/dbraw/zinc/96/13/92/358961392.db2.gz PZJMPPWWVMFISN-HNNXBMFYSA-N 0 0 300.362 2.009 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cnc(C(=O)OC)cn1 ZINC000597863523 359027789 /nfs/dbraw/zinc/02/77/89/359027789.db2.gz FYKFOGRFUWWTPQ-NWDGAFQWSA-N 0 0 303.362 2.128 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000597865022 359028847 /nfs/dbraw/zinc/02/88/47/359028847.db2.gz RHHMPORHHVVEGE-CHWSQXEVSA-N 0 0 319.361 2.008 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1 ZINC000185804064 199889789 /nfs/dbraw/zinc/88/97/89/199889789.db2.gz TVKBCYLXQNVZSU-OAHLLOKOSA-N 0 0 313.401 2.464 10 30 DEEERN C=CCC[C@@H](NC(=O)[C@]1(O)CCCC(C)(C)C1)C(=O)OCC ZINC000597732947 358993120 /nfs/dbraw/zinc/99/31/20/358993120.db2.gz MVMYBPMORVHSEE-DYVFJYSZSA-N 0 0 311.422 2.332 10 30 DEEERN C=C[C@H](O)C(=O)N1CC[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000598202553 359122033 /nfs/dbraw/zinc/12/20/33/359122033.db2.gz JRZCVRFRYBBAKK-ZFWWWQNUSA-N 0 0 317.385 2.396 10 30 DEEERN C=CCOCCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000598206902 359122796 /nfs/dbraw/zinc/12/27/96/359122796.db2.gz KOWNVFUWMPRVRZ-UHFFFAOYSA-N 0 0 315.329 2.466 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)OC ZINC000599360663 359476610 /nfs/dbraw/zinc/47/66/10/359476610.db2.gz ONPVGALAIPRTRJ-CHWSQXEVSA-N 0 0 317.451 2.240 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC000186568435 199974818 /nfs/dbraw/zinc/97/48/18/199974818.db2.gz DJDQODXOHDPROZ-HZPDHXFCSA-N 0 0 320.433 2.025 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000599373854 359481651 /nfs/dbraw/zinc/48/16/51/359481651.db2.gz FAJDGUURWCHQFZ-LBPRGKRZSA-N 0 0 310.375 2.323 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000599374941 359482396 /nfs/dbraw/zinc/48/23/96/359482396.db2.gz ODSACDHCPKUQPY-GFCCVEGCSA-N 0 0 308.378 2.425 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)S3)s1 ZINC000599405172 359489733 /nfs/dbraw/zinc/48/97/33/359489733.db2.gz YUKFIBRHJOMCHL-KOLCDFICSA-N 0 0 314.457 2.278 10 30 DEEERN C=C[C@@H](C)NC(=O)Nc1ccc(O[C@@H](C)C(=O)OC)c(F)c1 ZINC000599870149 359615759 /nfs/dbraw/zinc/61/57/59/359615759.db2.gz NCKOHCYLDAJFBD-ZJUUUORDSA-N 0 0 310.325 2.462 10 30 DEEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1cncc(OCCC)c1 ZINC000627554310 366548162 /nfs/dbraw/zinc/54/81/62/366548162.db2.gz HWVRYMDTAUFYRN-GFCCVEGCSA-N 0 0 305.378 2.280 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cccc2c1OCC2 ZINC000627633107 366574149 /nfs/dbraw/zinc/57/41/49/366574149.db2.gz MDVUHJGIQSTQBS-UHFFFAOYSA-N 0 0 302.374 2.423 10 30 DEEERN C=C[C@@H](CC(=O)N1CC(NC(=O)C2CCC2)C1)c1ccccc1 ZINC000188468333 200252057 /nfs/dbraw/zinc/25/20/57/200252057.db2.gz VTYBTVPBMXHQRJ-AWEZNQCLSA-N 0 0 312.413 2.473 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1cc(C)n([C@@H]2CCOC2)c1C ZINC000627679511 366589411 /nfs/dbraw/zinc/58/94/11/366589411.db2.gz NHNAGYAJFATOIM-LSDHHAIUSA-N 0 0 306.406 2.123 10 30 DEEERN C=CCC[C@H](CO)NC(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000627679303 366589629 /nfs/dbraw/zinc/58/96/29/366589629.db2.gz KBLOOOWVLASACZ-LLVKDONJSA-N 0 0 302.296 2.086 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCc2cc(F)ccc21 ZINC000627686320 366591473 /nfs/dbraw/zinc/59/14/73/366591473.db2.gz BTODJVOWRZWBGO-UHFFFAOYSA-N 0 0 304.365 2.433 10 30 DEEERN N#Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)cc1O ZINC000188597715 200272633 /nfs/dbraw/zinc/27/26/33/200272633.db2.gz LEHXHZHZBADKFM-GJZGRUSLSA-N 0 0 310.357 2.374 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2ccc(C(=O)OCC)cc2)C1=O ZINC000600948431 359868232 /nfs/dbraw/zinc/86/82/32/359868232.db2.gz TVZONPLMDNBXGJ-CYBMUJFWSA-N 0 0 302.330 2.254 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000601068547 359911685 /nfs/dbraw/zinc/91/16/85/359911685.db2.gz MZYANBVSBWQZNL-ZDUSSCGKSA-N 0 0 303.318 2.024 10 30 DEEERN C=CCNC(=O)[C@@H](C)SCc1cnc(C(=O)OCC)s1 ZINC000601065474 359908897 /nfs/dbraw/zinc/90/88/97/359908897.db2.gz WOHLVMJFJGMAEI-SECBINFHSA-N 0 0 314.432 2.244 10 30 DEEERN C=CCNC(=O)[C@H](C)SCc1c(Br)cnn1C ZINC000601064650 359909046 /nfs/dbraw/zinc/90/90/46/359909046.db2.gz UXDADAMQALPJNC-QMMMGPOBSA-N 0 0 318.240 2.107 10 30 DEEERN C=CCNC(=O)[C@H](C)SCc1cnc(C(=O)OCC)s1 ZINC000601065475 359909214 /nfs/dbraw/zinc/90/92/14/359909214.db2.gz WOHLVMJFJGMAEI-VIFPVBQESA-N 0 0 314.432 2.244 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000627736085 366604933 /nfs/dbraw/zinc/60/49/33/366604933.db2.gz MMHAQKBHOWRSOJ-GFCCVEGCSA-N 0 0 318.373 2.067 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2OCC)C1 ZINC000627736397 366605483 /nfs/dbraw/zinc/60/54/83/366605483.db2.gz XAEITABIWNNFOJ-CYBMUJFWSA-N 0 0 302.374 2.448 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H](Cc2ccncc2)C(=O)OCC)C1 ZINC000601283655 359993228 /nfs/dbraw/zinc/99/32/28/359993228.db2.gz ADTFAGDJUAHRMO-AWEZNQCLSA-N 0 0 302.374 2.028 10 30 DEEERN C=CCN(C1CC1)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601385880 360027198 /nfs/dbraw/zinc/02/71/98/360027198.db2.gz XSYKGSKWVBBABT-UHFFFAOYSA-N 0 0 302.377 2.304 10 30 DEEERN C=CC[C@H](CO)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601407489 360033743 /nfs/dbraw/zinc/03/37/43/360033743.db2.gz TVEQELDZUOKHPE-ZDUSSCGKSA-N 0 0 318.373 2.317 10 30 DEEERN C=CCCCCNC(=O)c1cc(C(=O)OC(C)(C)C)nn1C ZINC000601457330 360045802 /nfs/dbraw/zinc/04/58/02/360045802.db2.gz QBZNTNMIUASHMG-UHFFFAOYSA-N 0 0 307.394 2.462 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cc1ccc2c(c1)CCC2)C(=O)OC ZINC000601772733 360141919 /nfs/dbraw/zinc/14/19/19/360141919.db2.gz PYTRHEDUROGWMN-MRXNPFEDSA-N 0 0 301.386 2.342 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCOc1cccc(OC)c1)C(=O)OC ZINC000601781639 360145466 /nfs/dbraw/zinc/14/54/66/360145466.db2.gz KEFJIRLEJKZTEU-OAHLLOKOSA-N 0 0 321.373 2.088 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1CCc2cccc(OC)c21)C(=O)OC ZINC000601780885 360145837 /nfs/dbraw/zinc/14/58/37/360145837.db2.gz DVOFGTPJHVEDHE-KGLIPLIRSA-N 0 0 317.385 2.349 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](C)COc1ccccc1)C(=O)OC ZINC000601782873 360146823 /nfs/dbraw/zinc/14/68/23/360146823.db2.gz SHLSLSKEAJOKAL-ZFWWWQNUSA-N 0 0 305.374 2.326 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cc1cn(C)c2ccccc12)C(=O)OC ZINC000601786055 360149720 /nfs/dbraw/zinc/14/97/20/360149720.db2.gz PAPNGGXFTFLQTJ-OAHLLOKOSA-N 0 0 314.385 2.345 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccc(C#N)c(C)n1 ZINC000602057668 360252479 /nfs/dbraw/zinc/25/24/79/360252479.db2.gz FTLIOXGSRPPQFU-UHFFFAOYSA-N 0 0 314.389 2.309 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602060826 360253625 /nfs/dbraw/zinc/25/36/25/360253625.db2.gz GZCVHEFJBFEENI-UHFFFAOYSA-N 0 0 303.337 2.498 10 30 DEEERN CC(=O)N1CCC[C@@H]1C(=O)N(CC#N)c1ccc(Cl)cc1 ZINC000602350669 360347938 /nfs/dbraw/zinc/34/79/38/360347938.db2.gz CIKHWAVLFJIFSA-CQSZACIVSA-N 0 0 305.765 2.207 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1c(C)noc1C(F)F)C(=O)OC ZINC000602416348 360362534 /nfs/dbraw/zinc/36/25/34/360362534.db2.gz XAFXUFNZIIVUDY-QMMMGPOBSA-N 0 0 302.277 2.158 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000619177048 363726063 /nfs/dbraw/zinc/72/60/63/363726063.db2.gz AUHJFGXBZKSCKJ-YESZJQIVSA-N 0 0 322.449 2.265 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC([C@H]2CCCCO2)CC1 ZINC000619177774 363726551 /nfs/dbraw/zinc/72/65/51/363726551.db2.gz RBOFQWYMQRIZGI-IAGOWNOFSA-N 0 0 322.449 2.265 10 30 DEEERN C=C(C)C[C@@H](NCc1ccc(O[C@@H]2CCOC2)cc1)C(=O)OC ZINC000602739701 360529464 /nfs/dbraw/zinc/52/94/64/360529464.db2.gz SLSMZBJAHSGDHD-IAGOWNOFSA-N 0 0 319.401 2.452 10 30 DEEERN CC#CC[C@H](CO)NC(=O)c1sc2ncccc2c1Cl ZINC000627977840 366682690 /nfs/dbraw/zinc/68/26/90/366682690.db2.gz ZYWWTNJROJWRPK-SECBINFHSA-N 0 0 308.790 2.454 10 30 DEEERN C=CCCOCCCCC(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000603097482 360698780 /nfs/dbraw/zinc/69/87/80/360698780.db2.gz ROCFQWIHDJOOCF-HOTGVXAUSA-N 0 0 307.438 2.194 10 30 DEEERN CN1CC[C@@H](COc2ccc(Br)cc2C#N)C1=O ZINC000603331406 360794920 /nfs/dbraw/zinc/79/49/20/360794920.db2.gz SFPYGSRORPOCEQ-VIFPVBQESA-N 0 0 309.163 2.178 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)C(C)C)cc2C1=O ZINC000606805173 361042057 /nfs/dbraw/zinc/04/20/57/361042057.db2.gz IMCAHSNTGZNGKQ-GFCCVEGCSA-N 0 0 314.385 2.491 10 30 DEEERN N#Cc1ccc(CNC(=O)Cc2ccc3c(c2)OCO3)c(F)c1 ZINC000609229554 361290295 /nfs/dbraw/zinc/29/02/95/361290295.db2.gz YTSQPRJIYGWFSE-UHFFFAOYSA-N 0 0 312.300 2.285 10 30 DEEERN N#Cc1ccc(C(=O)N2CCN(c3cccc(F)c3)CC2)nc1 ZINC000609342898 361304827 /nfs/dbraw/zinc/30/48/27/361304827.db2.gz VPHCVYXAXJZELP-UHFFFAOYSA-N 0 0 310.332 2.055 10 30 DEEERN C=CCOCCCNC(=O)c1cc(C)n(-c2cnccn2)c1C ZINC000628088034 366716273 /nfs/dbraw/zinc/71/62/73/366716273.db2.gz RHVRTDHDGMNNGR-UHFFFAOYSA-N 0 0 314.389 2.207 10 30 DEEERN Cc1ccc([C@H](C)CNC(=O)NC2CCN(CC#N)CC2)cc1 ZINC000610014488 361353831 /nfs/dbraw/zinc/35/38/31/361353831.db2.gz ULUNUHFACODKOB-OAHLLOKOSA-N 0 0 314.433 2.386 10 30 DEEERN COc1ccc(CN2C(=O)N[C@](C)(C(C)(C)C)C2=O)cc1C#N ZINC000193740240 201115506 /nfs/dbraw/zinc/11/55/06/201115506.db2.gz TUAJSNARQQQINC-KRWDZBQOSA-N 0 0 315.373 2.423 10 30 DEEERN CC1CCC2(CC1)OC[C@@H](CNC(=O)c1ccnc(C#N)c1)O2 ZINC000193768750 201120197 /nfs/dbraw/zinc/12/01/97/201120197.db2.gz GUTLUEOESABBPY-YAJUMTOWSA-N 0 0 315.373 2.005 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NC[C@@]1(C)COc2ccccc2O1 ZINC000628326794 366813144 /nfs/dbraw/zinc/81/31/44/366813144.db2.gz WGPHJSARHZMCDN-GUYCJALGSA-N 0 0 305.374 2.314 10 30 DEEERN N#Cc1cccc(CC(=O)N2CCc3ccc(O)cc3CC2)c1 ZINC000610527750 361416694 /nfs/dbraw/zinc/41/66/94/361416694.db2.gz DOJQELXMNZRETA-UHFFFAOYSA-N 0 0 306.365 2.434 10 30 DEEERN N#Cc1ccc(NC(=O)NC2(CCO)CCOCC2)cc1Cl ZINC000610777479 361464413 /nfs/dbraw/zinc/46/44/13/361464413.db2.gz YOXVTSQFSDFWBO-UHFFFAOYSA-N 0 0 323.780 2.265 10 30 DEEERN CN(CCOC(C)(C)C)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000610858976 361479387 /nfs/dbraw/zinc/47/93/87/361479387.db2.gz UYAGTHBBNOJVJP-UHFFFAOYSA-N 0 0 314.382 2.133 10 30 DEEERN Cc1cc(CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)ncn1 ZINC000611138586 361532740 /nfs/dbraw/zinc/53/27/40/361532740.db2.gz IXDQIPDFBXULTQ-QGZVFWFLSA-N 0 0 324.384 2.377 10 30 DEEERN C[C@@H]1C[C@@H](CNC(=O)NCc2ccc(C#N)cc2F)CCO1 ZINC000611294475 361573640 /nfs/dbraw/zinc/57/36/40/361573640.db2.gz ZSXKFWAQUSQMTG-YPMHNXCESA-N 0 0 305.353 2.312 10 30 DEEERN C=CCOCCNC(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000611556336 361630341 /nfs/dbraw/zinc/63/03/41/361630341.db2.gz PLHXJHWYUYPYJW-UHFFFAOYSA-N 0 0 312.753 2.451 10 30 DEEERN C=CCCCN(C)c1nnc(-c2cn(C)nn2)n1CC(C)C ZINC000611805800 361685819 /nfs/dbraw/zinc/68/58/19/361685819.db2.gz NDCYENBDLGSICX-UHFFFAOYSA-N 0 0 303.414 2.132 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[C@H]1OCC ZINC000611928790 361707146 /nfs/dbraw/zinc/70/71/46/361707146.db2.gz MQHSWGMIPRIBDZ-QKPAOTATSA-N 0 0 322.449 2.311 10 30 DEEERN C=CCOCCCNC(=O)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000611959272 361712572 /nfs/dbraw/zinc/71/25/72/361712572.db2.gz CLTQERLJLBLUKH-GFCCVEGCSA-N 0 0 324.808 2.226 10 30 DEEERN COc1cccc(S(=O)(=O)NCc2ccc(C#N)cc2F)c1 ZINC000619482389 363809504 /nfs/dbraw/zinc/80/95/04/363809504.db2.gz WZOGHSIRYNCBSG-UHFFFAOYSA-N 0 0 320.345 2.184 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)CCC(=O)OC ZINC000195428160 201389309 /nfs/dbraw/zinc/38/93/09/201389309.db2.gz NKMISVKMPHUADD-UHFFFAOYSA-N 0 0 307.302 2.224 10 30 DEEERN Cn1cc2c(n1)CCC[C@H]2C(=O)NCc1ccc(C#N)cc1F ZINC000619590953 363835682 /nfs/dbraw/zinc/83/56/82/363835682.db2.gz GJKAIUIKNFFWQX-CYBMUJFWSA-N 0 0 312.348 2.167 10 30 DEEERN C[C@H](CNS(=O)(=O)c1ccc(C#N)s1)c1ccncc1 ZINC000619548756 363823052 /nfs/dbraw/zinc/82/30/52/363823052.db2.gz QKIMZIBKNDVQCQ-SNVBAGLBSA-N 0 0 307.400 2.097 10 30 DEEERN C=C[C@H](NCc1ccc(C)cc1OC[C@H]1CCOC1)C(=O)OC ZINC000619702228 363860312 /nfs/dbraw/zinc/86/03/12/363860312.db2.gz KCSQKMXGNVNVLY-HOCLYGCPSA-N 0 0 319.401 2.228 10 30 DEEERN Cc1cc2nc(NC(=O)[C@@H](C)n3cnc(C#N)n3)oc2c(C)c1 ZINC000619595731 363836621 /nfs/dbraw/zinc/83/66/21/363836621.db2.gz GAXRKCZHNGOBMO-SNVBAGLBSA-N 0 0 310.317 2.108 10 30 DEEERN COC(=O)C1(CNC(=O)NCC2CCC(C#N)CC2)CCCC1 ZINC000619658762 363849824 /nfs/dbraw/zinc/84/98/24/363849824.db2.gz DAZMUWUJLDZPLI-UHFFFAOYSA-N 0 0 321.421 2.349 10 30 DEEERN COc1ccc(NC(=O)N(C)CCC#N)c(C(F)(F)F)n1 ZINC000619798434 363877965 /nfs/dbraw/zinc/87/79/65/363877965.db2.gz AJJHKRNJQXYTBQ-UHFFFAOYSA-N 0 0 302.256 2.486 10 30 DEEERN C=CCCn1cc(C(=O)N2CCCc3ccc(OC)cc32)nn1 ZINC000619939850 363915579 /nfs/dbraw/zinc/91/55/79/363915579.db2.gz JFGZJFSYPBCIGB-UHFFFAOYSA-N 0 0 312.373 2.456 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCOc2ccc(O)cc2C1)OCC ZINC000620344794 364019664 /nfs/dbraw/zinc/01/96/64/364019664.db2.gz ULKVRDOCWKKROK-INIZCTEOSA-N 0 0 305.374 2.485 10 30 DEEERN CCS(=O)(=O)[C@H]1CSCCN1c1cc(C)ccc1C#N ZINC000090929096 192951839 /nfs/dbraw/zinc/95/18/39/192951839.db2.gz QTVLINDFMWJJHH-AWEZNQCLSA-N 0 0 310.444 2.181 10 30 DEEERN C=CCN(C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21)C1CC1 ZINC000621559467 364454652 /nfs/dbraw/zinc/45/46/52/364454652.db2.gz GDNZFOREGFCNKD-OAHLLOKOSA-N 0 0 320.414 2.016 10 30 DEEERN C=CCCCCNC(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621508913 364431649 /nfs/dbraw/zinc/43/16/49/364431649.db2.gz ORFXAHNEOHFGJN-HNNXBMFYSA-N 0 0 322.430 2.312 10 30 DEEERN C=CC[C@H]1CCN(C(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)C1 ZINC000628492670 366866848 /nfs/dbraw/zinc/86/68/48/366866848.db2.gz ZGSIRKUNCFAZKL-KXBFYZLASA-N 0 0 312.413 2.259 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)C1 ZINC000628484651 366863767 /nfs/dbraw/zinc/86/37/67/366863767.db2.gz RNSHQVXXBOVPPO-CQSZACIVSA-N 0 0 311.389 2.073 10 30 DEEERN C=CCn1c(C)nnc1N(C)Cc1c(C)cc(C)nc1OC ZINC000622017510 364636342 /nfs/dbraw/zinc/63/63/42/364636342.db2.gz UGDQXJLTSCDZTE-UHFFFAOYSA-N 0 0 301.394 2.429 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccccc1CCOC ZINC000622850717 364812337 /nfs/dbraw/zinc/81/23/37/364812337.db2.gz SLUSJAGVHKDHHM-INIZCTEOSA-N 0 0 304.390 2.285 10 30 DEEERN CCc1nnc(NC[C@@H]2CCc3nccn3C2)c(C#N)c1CC ZINC000275428754 212326688 /nfs/dbraw/zinc/32/66/88/212326688.db2.gz FEGSYUGJAIUADV-LBPRGKRZSA-N 0 0 310.405 2.344 10 30 DEEERN C=CCCCS(=O)(=O)N1Cc2ccccc2NC(=O)[C@@H]1C ZINC000623282883 364966128 /nfs/dbraw/zinc/96/61/28/364966128.db2.gz FYPXHSSGUXIUDV-LBPRGKRZSA-N 0 0 308.403 2.125 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2nnc3n2CCCCC3)C1 ZINC000623399524 365016123 /nfs/dbraw/zinc/01/61/23/365016123.db2.gz POQXMKLFMFWWDT-CYBMUJFWSA-N 0 0 303.410 2.112 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCCc1cccc(C(=O)NC)c1 ZINC000623649743 365115878 /nfs/dbraw/zinc/11/58/78/365115878.db2.gz JIFKOIBCFZSEMF-UHFFFAOYSA-N 0 0 317.433 2.490 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2C[C@H](OCC)[C@@H]2n2cccn2)C1 ZINC000624133264 365301144 /nfs/dbraw/zinc/30/11/44/365301144.db2.gz KDFOCZRMNPDGHR-LVQVYYBASA-N 0 0 318.421 2.209 10 30 DEEERN CSC1(C#N)CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000091477286 193062154 /nfs/dbraw/zinc/06/21/54/193062154.db2.gz VDDLCWPSVIOIRM-UHFFFAOYSA-N 0 0 304.371 2.277 10 30 DEEERN COc1ccc(Br)cc1[C@H](O)[C@]1(C#N)CCOC1 ZINC000091879590 193121778 /nfs/dbraw/zinc/12/17/78/193121778.db2.gz DSXPCPVMTOYJRA-STQMWFEESA-N 0 0 312.163 2.421 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC(S(=O)(=O)CC)CC1 ZINC000624463414 365430131 /nfs/dbraw/zinc/43/01/31/365430131.db2.gz IEWNVOVAWKBCCQ-UHFFFAOYSA-N 0 0 316.467 2.197 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NC[C@@H]2CCCN2CC(F)F)C1 ZINC000624565738 365474794 /nfs/dbraw/zinc/47/47/94/365474794.db2.gz GRLWPJRWTVWVDD-OLZOCXBDSA-N 0 0 301.381 2.324 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NCCCc1nc2ccccc2n1C ZINC000449876320 241196572 /nfs/dbraw/zinc/19/65/72/241196572.db2.gz IXPPBQQSURLRRY-UHFFFAOYSA-N 0 0 321.384 2.146 10 30 DEEERN C[C@H](CNC(=O)c1ccc(C#N)n1C)Oc1ccccc1F ZINC000449964932 241299735 /nfs/dbraw/zinc/29/97/35/241299735.db2.gz BJLFQLNYFGRHLW-LLVKDONJSA-N 0 0 301.321 2.233 10 30 DEEERN C=CCCn1cc(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)nn1 ZINC000629657655 367289129 /nfs/dbraw/zinc/28/91/29/367289129.db2.gz CBRISSIOLHUSGH-CQSZACIVSA-N 0 0 312.373 2.190 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CCO[C@H](C3CC3)C2)cc1 ZINC000450757288 242185300 /nfs/dbraw/zinc/18/53/00/242185300.db2.gz MJRVCOQKMJEBPX-KRWDZBQOSA-N 0 0 301.386 2.431 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cccc(COCCOC)c2)C1=O ZINC000630502413 367692002 /nfs/dbraw/zinc/69/20/02/367692002.db2.gz ITTPKTLVWKPJCS-HNNXBMFYSA-N 0 0 318.373 2.241 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2ccc(O[C@H]3CCOC3)cc2)C1=O ZINC000630505302 367694725 /nfs/dbraw/zinc/69/47/25/367694725.db2.gz GFRPYQWQXHVTNT-LSDHHAIUSA-N 0 0 316.357 2.245 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cncc(N2CCCC2)n1 ZINC000630851823 367880540 /nfs/dbraw/zinc/88/05/40/367880540.db2.gz IYHHNZXPBUIACC-UHFFFAOYSA-N 0 0 314.311 2.267 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2cccnc2OCCC)C1=O ZINC000630968287 367941775 /nfs/dbraw/zinc/94/17/75/367941775.db2.gz DKDTWCHXLGKTTG-CYBMUJFWSA-N 0 0 303.362 2.257 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccccc2NC(C)=O)C1=O ZINC000630976484 367946614 /nfs/dbraw/zinc/94/66/14/367946614.db2.gz QPPBXZJXFIHJNO-AWEZNQCLSA-N 0 0 301.346 2.032 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2CCOc3c(OC)cccc32)C1=O ZINC000630983591 367949520 /nfs/dbraw/zinc/94/95/20/367949520.db2.gz WIGBIZJNJILSPD-STQMWFEESA-N 0 0 316.357 2.405 10 30 DEEERN C=CCC1(C(=O)NCc2ncccc2S(C)(=O)=O)CCCC1 ZINC000451256886 242776889 /nfs/dbraw/zinc/77/68/89/242776889.db2.gz PNUSVLFFAXMEAP-UHFFFAOYSA-N 0 0 322.430 2.238 10 30 DEEERN N#CCN1CCC(Nc2nc(Br)cs2)CC1 ZINC000093011225 193193942 /nfs/dbraw/zinc/19/39/42/193193942.db2.gz BNLAORPWUAOFPW-UHFFFAOYSA-N 0 0 301.213 2.305 10 30 DEEERN N#Cc1cc(Br)ccc1C(=O)NC[C@H](CO)C1CC1 ZINC000452183172 244032806 /nfs/dbraw/zinc/03/28/06/244032806.db2.gz QWZRKBNFWFVGEA-LLVKDONJSA-N 0 0 323.190 2.069 10 30 DEEERN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000452256188 244077684 /nfs/dbraw/zinc/07/76/84/244077684.db2.gz STIPWOZNSOUWIM-WBMJQRKESA-N 0 0 307.415 2.276 10 30 DEEERN C=CC(C)(C)CNC(=O)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000452777973 244603581 /nfs/dbraw/zinc/60/35/81/244603581.db2.gz WQKNNEZLAXBSDJ-UHFFFAOYSA-N 0 0 309.431 2.351 10 30 DEEERN CC(C)N[C@]1(C#N)CCC[C@H]1CCSCCS(C)(=O)=O ZINC000093581517 193269421 /nfs/dbraw/zinc/26/94/21/193269421.db2.gz PMPPKIWMESPVLJ-KBPBESRZSA-N 0 0 318.508 2.215 10 30 DEEERN Cc1cc(=O)[nH]c(S[C@@H]2CCC[C@](C#N)(NC(C)C)C2)n1 ZINC000093746988 193299597 /nfs/dbraw/zinc/29/95/97/193299597.db2.gz POMTUTZDAFWOCV-DOMZBBRYSA-N 0 0 306.435 2.373 10 30 DEEERN CC(C)N[C@]1(C#N)CCC[C@H](Sc2nnnn2C2CC2)C1 ZINC000093746946 193299899 /nfs/dbraw/zinc/29/98/99/193299899.db2.gz VAXAGTHLLSAAHP-GXTWGEPZSA-N 0 0 306.439 2.303 10 30 DEEERN CCCc1cc(=O)[nH]c(S[C@@H]2CC[C@](C#N)(NCC)C2)n1 ZINC000093806303 193309235 /nfs/dbraw/zinc/30/92/35/193309235.db2.gz IKPUCJPDNYOCIA-DOMZBBRYSA-N 0 0 306.435 2.239 10 30 DEEERN C[C@@H](O)c1ccc(N2CCO[C@H](C#N)C2)c(Br)c1 ZINC000093933051 193329399 /nfs/dbraw/zinc/32/93/99/193329399.db2.gz NHCBKWUMDKRYRO-MWLCHTKSSA-N 0 0 311.179 2.231 10 30 DEEERN C[C@@H]1CN(C(=O)c2csc(C#CCCO)c2)C[C@H](C)S1 ZINC000093975264 193332659 /nfs/dbraw/zinc/33/26/59/193332659.db2.gz LWRADMSCPMFPHW-TXEJJXNPSA-N 0 0 309.456 2.448 10 30 DEEERN C#CCN1C(=O)N=C(N)[C@@H]1c1ccc(Br)c(C)c1 ZINC000094516613 193376364 /nfs/dbraw/zinc/37/63/64/193376364.db2.gz WIOMKMNLSCNYCQ-NSHDSACASA-N 0 0 306.163 2.225 10 30 DEEERN O=S(=O)(NCC#Cc1ccccc1F)c1cccc(F)c1 ZINC000096351274 193615756 /nfs/dbraw/zinc/61/57/56/193615756.db2.gz NIDODHYXBWTZQE-UHFFFAOYSA-N 0 0 307.321 2.295 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](CC)[C@H](C)O ZINC000453934981 245359477 /nfs/dbraw/zinc/35/94/77/245359477.db2.gz CWKZNYMLAAIVED-JSGCOSHPSA-N 0 0 304.390 2.019 10 30 DEEERN CCc1nnc(N[C@@H]2CCCC[C@H]2C(=O)NC)c(C#N)c1CC ZINC000161736785 197514759 /nfs/dbraw/zinc/51/47/59/197514759.db2.gz XAUZEHKVISEHLA-IUODEOHRSA-N 0 0 315.421 2.190 10 30 DEEERN C=C(Cl)CN1C(=O)[C@@H](C2CC2)NC(=O)[C@@H]1c1ccccc1 ZINC000161297149 197482480 /nfs/dbraw/zinc/48/24/80/197482480.db2.gz IIELANHCBIPICC-KGLIPLIRSA-N 0 0 304.777 2.217 10 30 DEEERN c1ccc2c(c1)C(=NC[C@@H]1CCCO1)NC2=NC[C@@H]1CCCO1 ZINC000017888468 182087781 /nfs/dbraw/zinc/08/77/81/182087781.db2.gz QAZTVYNIXHBYSK-KBPBESRZSA-N 0 0 313.401 2.141 10 30 DEEERN C=CCNC(=O)[C@H](C)Oc1ccc(Br)cc1C=O ZINC000020310688 182205884 /nfs/dbraw/zinc/20/58/84/182205884.db2.gz IWKHWKCXDDRYTO-VIFPVBQESA-N 0 0 312.163 2.331 10 30 DEEERN C=CCCCCCNC(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000563822432 335029597 /nfs/dbraw/zinc/02/95/97/335029597.db2.gz IVOJGUUYGUCYAI-CQSZACIVSA-N 0 0 316.467 2.342 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)Nc1ccc(F)c(C(=O)OC)c1C ZINC000455472379 246603115 /nfs/dbraw/zinc/60/31/15/246603115.db2.gz QBBBDTRTSIQLKO-NSHDSACASA-N 0 0 324.352 2.369 10 30 DEEERN C=C(CC)CNC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000455517997 246635561 /nfs/dbraw/zinc/63/55/61/246635561.db2.gz FQNAFROSBZASGT-UHFFFAOYSA-N 0 0 303.410 2.085 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)CC1(CC(=O)OC)CCCC1 ZINC000456264518 247059687 /nfs/dbraw/zinc/05/96/87/247059687.db2.gz NSMWEIXWXVTIJX-KGLIPLIRSA-N 0 0 309.406 2.350 10 30 DEEERN Cc1sc2nc(CN3CCCC3)n(CC#N)c(=O)c2c1C ZINC000031899417 182628421 /nfs/dbraw/zinc/62/84/21/182628421.db2.gz XBBQVXPWGHSPBV-UHFFFAOYSA-N 0 0 302.403 2.194 10 30 DEEERN C[C@H](Nc1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000035047968 182749665 /nfs/dbraw/zinc/74/96/65/182749665.db2.gz OPNIEQRAUUVRDJ-NSHDSACASA-N 0 0 301.371 2.379 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)N[C@@H]1COc2c1ccc(C)c2C ZINC000458253511 248232732 /nfs/dbraw/zinc/23/27/32/248232732.db2.gz IGPCZSCBLQOEEG-DZGCQCFKSA-N 0 0 304.390 2.363 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000459827762 248681979 /nfs/dbraw/zinc/68/19/79/248681979.db2.gz YOXYKTKRHLJWBM-MRXNPFEDSA-N 0 0 322.449 2.219 10 30 DEEERN C=C(C)CNC(=O)[C@H](NC(=O)NCc1ccc(F)cc1)C(C)C ZINC000490047918 248860566 /nfs/dbraw/zinc/86/05/66/248860566.db2.gz SARMUMOWPPMEOS-OAHLLOKOSA-N 0 0 321.396 2.342 10 30 DEEERN CN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(N)cs1 ZINC000041068080 183161495 /nfs/dbraw/zinc/16/14/95/183161495.db2.gz GWHVXTRROWJVFP-UHFFFAOYSA-N 0 0 307.400 2.023 10 30 DEEERN CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(N)cs1 ZINC000041068087 183161620 /nfs/dbraw/zinc/16/16/20/183161620.db2.gz JGOYSJNTXSZDFA-UHFFFAOYSA-N 0 0 307.400 2.023 10 30 DEEERN COC1(C(=O)N[C@@H]2CCc3ccccc3C2=O)CCOCC1 ZINC000329120632 284662049 /nfs/dbraw/zinc/66/20/49/284662049.db2.gz VSYGSPFPTVHTAW-CQSZACIVSA-N 0 0 303.358 2.336 10 30 DEEERN CN(Cc1cc(C#CCO)cs1)C(=O)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000042401088 183264475 /nfs/dbraw/zinc/26/44/75/183264475.db2.gz ARIPTVINCPOAKW-BJJXKVORSA-N 0 0 303.427 2.487 10 30 DEEERN CC(C)C[C@H](C)N(C)S(=O)(=O)c1ccccc1C#CCO ZINC000042598175 183289413 /nfs/dbraw/zinc/28/94/13/183289413.db2.gz TZOZHTHJTVCWLX-AWEZNQCLSA-N 0 0 309.431 2.086 10 30 DEEERN C[C@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(N)cc1C#N ZINC000042858800 183315207 /nfs/dbraw/zinc/31/52/07/183315207.db2.gz KSOBECUGFOQOGN-RYUDHWBXSA-N 0 0 307.419 2.245 10 30 DEEERN COC(/C=C/c1ccccc1)=C1C(=O)C(OC)=C(OC)C1=O ZINC000044118492 183395012 /nfs/dbraw/zinc/39/50/12/183395012.db2.gz KXRUALBXWXRUTD-MDZDMXLPSA-N 0 0 300.310 2.257 10 30 biogenic DEEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(CS(C)(=O)=O)cc1 ZINC000274278121 211478897 /nfs/dbraw/zinc/47/88/97/211478897.db2.gz JNBDCDCTUJQDLF-CYBMUJFWSA-N 0 0 309.431 2.450 10 30 DEEERN C=CCOc1ccc(COC(=O)[C@@H]2CCCN2C(C)=O)cc1 ZINC000274058544 211315067 /nfs/dbraw/zinc/31/50/67/211315067.db2.gz OPXFTBRXINSEHG-INIZCTEOSA-N 0 0 303.358 2.306 10 30 DEEERN C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1c1cccc(F)c1C#N ZINC000284524953 218063423 /nfs/dbraw/zinc/06/34/23/218063423.db2.gz JGZVRQHKBDUMST-XYPHTWIQSA-N 0 0 304.365 2.454 10 30 DEEERN Cn1c2c(nc1[C@H]1CCCN1C(=O)c1ccc(C#N)[nH]1)CCCC2 ZINC000284753248 218162203 /nfs/dbraw/zinc/16/22/03/218162203.db2.gz ZEPRUSQVVIOYFB-MRXNPFEDSA-N 0 0 323.400 2.476 10 30 DEEERN N#Cc1ccc(F)c(CN2CCCN(c3cccnn3)CC2)c1 ZINC000105799316 194131843 /nfs/dbraw/zinc/13/18/43/194131843.db2.gz DSYHOZNLMYFJID-UHFFFAOYSA-N 0 0 311.364 2.200 10 30 DEEERN C[C@@H](C#N)N1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000109453184 194264794 /nfs/dbraw/zinc/26/47/94/194264794.db2.gz RHPVDRSMAQJOQX-NSHDSACASA-N 0 0 308.769 2.278 10 30 DEEERN C[C@H](NS(=O)(=O)C(C)(C)C)c1cccc(C#CCCO)c1 ZINC000111073206 194389427 /nfs/dbraw/zinc/38/94/27/194389427.db2.gz XYRCEWAHRYVFFV-ZDUSSCGKSA-N 0 0 309.431 2.199 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000058453380 184119265 /nfs/dbraw/zinc/11/92/65/184119265.db2.gz OQMBJFXVDFZSTH-UHFFFAOYSA-N 0 0 302.378 2.245 10 30 DEEERN Cc1ccc(S(=O)(=O)CC(=O)Nc2ccccc2C#N)cc1 ZINC000059322373 184136831 /nfs/dbraw/zinc/13/68/31/184136831.db2.gz KGSRIJJSZQOXNR-UHFFFAOYSA-N 0 0 314.366 2.279 10 30 DEEERN C[C@@H](NS(=O)(=O)c1cccc(C#CCO)c1)c1ccsc1 ZINC000061372059 184169329 /nfs/dbraw/zinc/16/93/29/184169329.db2.gz KVAYUJQOGJYAGF-GFCCVEGCSA-N 0 0 321.423 2.131 10 30 DEEERN C[C@H](C(=O)Nc1cc(Br)ccc1Cl)/C(N)=N/O ZINC000061693355 184183254 /nfs/dbraw/zinc/18/32/54/184183254.db2.gz VNGLIVUMKXELTE-YFKPBYRVSA-N 0 0 320.574 2.424 10 30 DEEERN C[C@](C#N)(CSc1ccc(S(C)(=O)=O)cc1)NC1CC1 ZINC000063131809 184272274 /nfs/dbraw/zinc/27/22/74/184272274.db2.gz OGZNEDRAWMTLLU-AWEZNQCLSA-N 0 0 310.444 2.216 10 30 DEEERN CN(C)S(=O)(=O)c1cccc(-c2ccc(C#N)c(O)c2)c1 ZINC000065341703 184325349 /nfs/dbraw/zinc/32/53/49/184325349.db2.gz KVDJQOXQYYDLCO-UHFFFAOYSA-N 0 0 302.355 2.181 10 30 DEEERN N#Cc1cccc(NC(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)c1 ZINC000192945578 207370161 /nfs/dbraw/zinc/37/01/61/207370161.db2.gz LNHUYVAOPTZDDR-CYBMUJFWSA-N 0 0 322.372 2.342 10 30 DEEERN N#Cc1cc(F)ccc1CN1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408045130 207413265 /nfs/dbraw/zinc/41/32/65/207413265.db2.gz QBWANMHREFMMTM-KZNAEPCWSA-N 0 0 318.392 2.449 10 30 DEEERN C=CCN(C)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000119007741 194955188 /nfs/dbraw/zinc/95/51/88/194955188.db2.gz JHXUMDKJIVRJQX-UHFFFAOYSA-N 0 0 304.755 2.363 10 30 DEEERN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000538708797 285051495 /nfs/dbraw/zinc/05/14/95/285051495.db2.gz JOZQWRGPEAPXHX-LBPRGKRZSA-N 0 0 317.389 2.470 10 30 DEEERN C#CC[C@H](NC(=O)[C@H]1CSCN1C(=O)CC)c1ccccc1 ZINC000270180590 208242274 /nfs/dbraw/zinc/24/22/74/208242274.db2.gz BOEYTLPYVVSADP-LSDHHAIUSA-N 0 0 316.426 2.179 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000159078966 197325688 /nfs/dbraw/zinc/32/56/88/197325688.db2.gz FOCPZWNAAWNCIR-UHFFFAOYSA-N 0 0 324.384 2.443 10 30 DEEERN C#CCn1ncc(N[C@@H](C)C(C)(C)C)c(Br)c1=O ZINC000158524200 197281131 /nfs/dbraw/zinc/28/11/31/197281131.db2.gz KPSRUIJJKQOCEC-VIFPVBQESA-N 0 0 312.211 2.486 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(F)ccc3C#N)[C@@H]2C1 ZINC000158330376 197263365 /nfs/dbraw/zinc/26/33/65/197263365.db2.gz PXAMDUQPDNKEJY-ZACQAIPSSA-N 0 0 304.365 2.466 10 30 DEEERN N#C[C@@]1(Cc2c(Cl)cccc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000157578948 197198903 /nfs/dbraw/zinc/19/89/03/197198903.db2.gz RERKSKZJFMSQRX-LBPRGKRZSA-N 0 0 314.750 2.119 10 30 DEEERN CC[C@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CCS1 ZINC000156804898 197142470 /nfs/dbraw/zinc/14/24/70/197142470.db2.gz GNHDPWFPILNOPC-AWEZNQCLSA-N 0 0 324.471 2.159 10 30 DEEERN C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)CCCO ZINC000440948212 533153703 /nfs/dbraw/zinc/15/37/03/533153703.db2.gz AUXDCDPGYNTLIC-ZDUSSCGKSA-N 0 0 321.446 2.191 10 30 DEEERN COC(=O)C(C)(C)N1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000442871854 533156887 /nfs/dbraw/zinc/15/68/87/533156887.db2.gz HGQDEWOXHWXUKL-CQSZACIVSA-N 0 0 315.417 2.188 10 30 DEEERN CCc1cc(NC(=O)CCc2c(C)nn(CCC#N)c2C)n[nH]1 ZINC000120697155 195219254 /nfs/dbraw/zinc/21/92/54/195219254.db2.gz GUGSGCYWVQKXGD-UHFFFAOYSA-N 0 0 314.393 2.270 10 30 DEEERN Cc1ccc(CN(CCO)C(=O)Cc2cccc(C#N)c2)cc1 ZINC000544038995 285329183 /nfs/dbraw/zinc/32/91/83/285329183.db2.gz BAWIWNIJFSKDKJ-UHFFFAOYSA-N 0 0 308.381 2.430 10 30 DEEERN C=CCCCN(C)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000121071581 195290209 /nfs/dbraw/zinc/29/02/09/195290209.db2.gz DOIYLCOPZDDVGV-UHFFFAOYSA-N 0 0 315.373 2.108 10 30 DEEERN Cn1ccnc1CC1CCN(C(=O)c2sccc2C#N)CC1 ZINC000121992075 195387155 /nfs/dbraw/zinc/38/71/55/195387155.db2.gz VYAPYJBYQVUKSU-UHFFFAOYSA-N 0 0 314.414 2.448 10 30 DEEERN COC(=O)[C@H]1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000180237530 533388029 /nfs/dbraw/zinc/38/80/29/533388029.db2.gz CMEALVFRINAZAX-AWEZNQCLSA-N 0 0 312.369 2.267 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N(CC)CC1CC1 ZINC000453457763 533536127 /nfs/dbraw/zinc/53/61/27/533536127.db2.gz ISBTYSYJDFSIPE-UHFFFAOYSA-N 0 0 315.425 2.194 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N(CC)C(C)C ZINC000453469363 533536557 /nfs/dbraw/zinc/53/65/57/533536557.db2.gz ZZNBIDFSXKGCHV-UHFFFAOYSA-N 0 0 303.414 2.193 10 30 DEEERN C[C@H]1CC[C@H](C(=O)NCCSCc2ccccc2C#N)O1 ZINC000177941185 132531107 /nfs/dbraw/zinc/53/11/07/132531107.db2.gz MGIIHNIWYYGHDW-SWLSCSKDSA-N 0 0 304.415 2.475 10 30 DEEERN N#Cc1ccnc(NC(=O)c2ccnc(OCC(F)F)c2)c1 ZINC000357419261 133076697 /nfs/dbraw/zinc/07/66/97/133076697.db2.gz DDUAZZZGRKDPDW-UHFFFAOYSA-N 0 0 304.256 2.244 10 30 DEEERN N#Cc1ccnc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000357415827 133076748 /nfs/dbraw/zinc/07/67/48/133076748.db2.gz QPBDSPMOXOEQKG-UHFFFAOYSA-N 0 0 311.301 2.302 10 30 DEEERN COC1(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCCC1 ZINC000452174711 292120925 /nfs/dbraw/zinc/12/09/25/292120925.db2.gz LGQAOGZAVBBBCO-INIZCTEOSA-N 0 0 324.421 2.323 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)c3cccc(F)c3C#N)C2)cc1 ZINC000188238496 145008776 /nfs/dbraw/zinc/00/87/76/145008776.db2.gz RKDYSIPUPSUBML-UHFFFAOYSA-N 0 0 321.311 2.472 10 30 DEEERN COC(=O)[C@]1(C)CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000188499901 145013169 /nfs/dbraw/zinc/01/31/69/145013169.db2.gz NGECLAPBECMPCX-QGZVFWFLSA-N 0 0 312.369 2.001 10 30 DEEERN N#Cc1ccc(CSc2nnnn2C[C@H]2CCCO2)cc1F ZINC000190974427 145051284 /nfs/dbraw/zinc/05/12/84/145051284.db2.gz DWQHAFQSNBZLRJ-GFCCVEGCSA-N 0 0 319.365 2.155 10 30 DEEERN N#Cc1cc(C(=O)NCC2(c3ccccc3)CCOCC2)ccn1 ZINC000192675349 145077048 /nfs/dbraw/zinc/07/70/48/145077048.db2.gz ZGFZXDJZNUZHOA-UHFFFAOYSA-N 0 0 321.380 2.431 10 30 DEEERN N#Cc1cc(C(=O)NCc2cnn(Cc3ccccc3)c2)ccn1 ZINC000192711366 145077633 /nfs/dbraw/zinc/07/76/33/145077633.db2.gz BQRZYANNNYDJSJ-UHFFFAOYSA-N 0 0 317.352 2.128 10 30 DEEERN N#Cc1cc(C(=O)NCc2cccc(Cn3cccn3)c2)ccn1 ZINC000192826357 145079677 /nfs/dbraw/zinc/07/96/77/145079677.db2.gz DUSPDZTUNCYCIQ-UHFFFAOYSA-N 0 0 317.352 2.128 10 30 DEEERN CCCNC(=O)c1ccc(NC(=O)c2ccnc(C#N)c2)cc1 ZINC000192810787 145079695 /nfs/dbraw/zinc/07/96/95/145079695.db2.gz GMSAZUPNZZCUMW-UHFFFAOYSA-N 0 0 308.341 2.345 10 30 DEEERN C[C@@H](NC(=O)Nc1cccc(C#N)c1)c1nnc2n1CCCC2 ZINC000193625831 145087583 /nfs/dbraw/zinc/08/75/83/145087583.db2.gz BDNPEJUKRPXUSD-LLVKDONJSA-N 0 0 310.361 2.369 10 30 DEEERN C[C@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)CCS1 ZINC000246394271 145101736 /nfs/dbraw/zinc/10/17/36/145101736.db2.gz IZJOSHVLKYONAR-JQWIXIFHSA-N 0 0 307.444 2.162 10 30 DEEERN COc1ccc(CN2CCO[C@@H]3CC[C@H](OC)C[C@H]32)cc1C#N ZINC000246786066 145114593 /nfs/dbraw/zinc/11/45/93/145114593.db2.gz PJASHRSTGLCJKI-LZLYRXPVSA-N 0 0 316.401 2.335 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246903032 145118678 /nfs/dbraw/zinc/11/86/78/145118678.db2.gz DZPJMGPGMWAPBE-MKVSYHDVSA-N 0 0 314.385 2.399 10 30 DEEERN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000246979875 145121346 /nfs/dbraw/zinc/12/13/46/145121346.db2.gz KVEOBIKPKBRQET-DZGCQCFKSA-N 0 0 323.400 2.108 10 30 DEEERN N#Cc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000248028838 145146500 /nfs/dbraw/zinc/14/65/00/145146500.db2.gz PSLLQUUJPAZKCS-MAUKXSAKSA-N 0 0 313.401 2.124 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc(C#N)cc1C ZINC000248876447 145171136 /nfs/dbraw/zinc/17/11/36/145171136.db2.gz WBJFAYFUJGIHNW-KBMXLJTQSA-N 0 0 312.369 2.280 10 30 DEEERN N#Cc1ccc([C@H](Nc2cccc(CCCO)c2)C(N)=O)cc1 ZINC000358846705 147218372 /nfs/dbraw/zinc/21/83/72/147218372.db2.gz HZGRPRNLHFRVFS-KRWDZBQOSA-N 0 0 309.369 2.122 10 30 DEEERN N#Cc1ccc(NCC(=O)NCc2ccc3cc[nH]c3n2)cc1 ZINC000359422387 147325056 /nfs/dbraw/zinc/32/50/56/147325056.db2.gz MTOBJMQVDYRHFE-UHFFFAOYSA-N 0 0 305.341 2.163 10 30 DEEERN N#Cc1cnccc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC000376433477 148466932 /nfs/dbraw/zinc/46/69/32/148466932.db2.gz DIPNYXOKCFYZFM-UHFFFAOYSA-N 0 0 315.764 2.444 10 30 DEEERN C[C@@H]1C[C@@H]1N1C[C@H](Nc2nc3c(cc2C#N)CCCC3)CC1=O ZINC000408051630 148557897 /nfs/dbraw/zinc/55/78/97/148557897.db2.gz PZKOIDMNOHDCQT-XFJVYGCCSA-N 0 0 310.401 2.253 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408259354 148582172 /nfs/dbraw/zinc/58/21/72/148582172.db2.gz KBLPAGVSVDPSMN-KRWDZBQOSA-N 0 0 312.373 2.001 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000074043663 401728682 /nfs/dbraw/zinc/72/86/82/401728682.db2.gz YHOJKAJRXMXUDL-HOCLYGCPSA-N 0 0 301.390 2.026 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)Cc1nccs1 ZINC000074528421 401741043 /nfs/dbraw/zinc/74/10/43/401741043.db2.gz BGQZKDNCCPNDGE-LLVKDONJSA-N 0 0 301.371 2.441 10 30 DEEERN C[C@@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)CCCC#N ZINC000111338502 401712200 /nfs/dbraw/zinc/71/22/00/401712200.db2.gz ZRMWPAAWPXLDKU-HIFRSBDPSA-N 0 0 308.403 2.082 10 30 DEEERN C[C@H]1CCc2c(sc3ncnc(-n4ncc(C#N)c4N)c23)C1 ZINC000008535472 401754093 /nfs/dbraw/zinc/75/40/93/401754093.db2.gz OQBXKXHYYYXYIT-QMMMGPOBSA-N 0 0 310.386 2.456 10 30 DEEERN C=CCNC(=O)c1cccc(S(=O)(=O)NC(C)(CC)CC)c1 ZINC000113294417 401775441 /nfs/dbraw/zinc/77/54/41/401775441.db2.gz GXWQVKRLLDIQDW-UHFFFAOYSA-N 0 0 324.446 2.459 10 30 DEEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1scc(C)c1C(=O)OCC ZINC000076297841 401789066 /nfs/dbraw/zinc/78/90/66/401789066.db2.gz LBWDMWLLICPQAU-SNVBAGLBSA-N 0 0 324.402 2.253 10 30 DEEERN C=CCCCN(C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000076484208 401796720 /nfs/dbraw/zinc/79/67/20/401796720.db2.gz YZOBZYIYUKIZDF-UHFFFAOYSA-N 0 0 308.334 2.407 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)c3cc(F)ccc3O)C2)cc1 ZINC000130576374 401835573 /nfs/dbraw/zinc/83/55/73/401835573.db2.gz AXGWYTWFUMCHKO-UHFFFAOYSA-N 0 0 312.300 2.306 10 30 DEEERN C=CC1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000130652083 401836670 /nfs/dbraw/zinc/83/66/70/401836670.db2.gz YNNMRBLRGTZLQC-UHFFFAOYSA-N 0 0 303.318 2.328 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000116772938 401858824 /nfs/dbraw/zinc/85/88/24/401858824.db2.gz NOOWVWKIZQPAKI-XJKSGUPXSA-N 0 0 320.437 2.115 10 30 DEEERN C=CC[C@H](C)NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000116850762 401861371 /nfs/dbraw/zinc/86/13/71/401861371.db2.gz BKUNGBRPAHKIIE-JTQLQIEISA-N 0 0 301.795 2.195 10 30 DEEERN C=C[C@](C)(CC)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000135024532 401924494 /nfs/dbraw/zinc/92/44/94/401924494.db2.gz VOPFQBCUIORSTR-PKOBYXMFSA-N 0 0 316.445 2.467 10 30 DEEERN Cc1cnn(CCNC(=O)CSCc2ccc(C#N)cc2)c1 ZINC000117818606 401885790 /nfs/dbraw/zinc/88/57/90/401885790.db2.gz QENYUCKDMFSWQA-UHFFFAOYSA-N 0 0 314.414 2.113 10 30 DEEERN CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc(C#N)cn1C ZINC000081726092 401898367 /nfs/dbraw/zinc/89/83/67/401898367.db2.gz HJJQPFNJJDRWCX-UHFFFAOYSA-N 0 0 321.384 2.478 10 30 DEEERN N#CCCCS(=O)(=O)NCc1ccccc1OC1CCC1 ZINC000118437879 401898766 /nfs/dbraw/zinc/89/87/66/401898766.db2.gz GLNLMBWXFKGOSO-UHFFFAOYSA-N 0 0 308.403 2.341 10 30 DEEERN C[C@H](C[S@](C)=O)N(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000135790414 401953297 /nfs/dbraw/zinc/95/32/97/401953297.db2.gz WPWWHRLHGFVHNM-XUSGNXJCSA-N 0 0 304.415 2.081 10 30 DEEERN COc1cccc(CN2CCN(c3ncccc3C#N)CC2)c1 ZINC000049919873 402022518 /nfs/dbraw/zinc/02/25/18/402022518.db2.gz XAYQXQBZQLTYTK-UHFFFAOYSA-N 0 0 308.385 2.284 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)CC1CCOCC1 ZINC000121583948 402045281 /nfs/dbraw/zinc/04/52/81/402045281.db2.gz YXGLGNHMIWLUHD-ZDUSSCGKSA-N 0 0 302.374 2.211 10 30 DEEERN C#CCOCCC(=O)N1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000151783996 402056662 /nfs/dbraw/zinc/05/66/62/402056662.db2.gz CSVSPQYTJKUIII-CYBMUJFWSA-N 0 0 306.431 2.451 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc(C(=O)OC)cc1C ZINC000122458091 402079447 /nfs/dbraw/zinc/07/94/47/402079447.db2.gz FLPQFAQLYSSAIA-UHFFFAOYSA-N 0 0 311.403 2.368 10 30 DEEERN C=CCN(CC(=O)N(C)CC1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287622 402111921 /nfs/dbraw/zinc/11/19/21/402111921.db2.gz DXHLKCJRLRNGKT-UHFFFAOYSA-N 0 0 317.389 2.451 10 30 DEEERN C=CCN(CC(=O)NC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063297758 402112424 /nfs/dbraw/zinc/11/24/24/402112424.db2.gz USNQQEFCMJAIBE-UHFFFAOYSA-N 0 0 305.378 2.498 10 30 DEEERN C=CCn1c(SCC2(O)CCOCC2)nnc1-c1ccco1 ZINC000152862301 402113093 /nfs/dbraw/zinc/11/30/93/402113093.db2.gz VRHULZLWGKQAMX-UHFFFAOYSA-N 0 0 321.402 2.358 10 30 DEEERN Cc1ccc(N2C[C@H](C(=O)N[C@@](C)(C#N)C(C)C)CC2=O)cc1 ZINC000122214000 402067013 /nfs/dbraw/zinc/06/70/13/402067013.db2.gz VCHROTKBYYEKPE-KDOFPFPSSA-N 0 0 313.401 2.402 10 30 DEEERN CC(C)[C@@H](C)NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000067041112 402150599 /nfs/dbraw/zinc/15/05/99/402150599.db2.gz DTDIDACECSEWSJ-CYBMUJFWSA-N 0 0 315.421 2.266 10 30 DEEERN N#Cc1nccn1CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000123919951 402154038 /nfs/dbraw/zinc/15/40/38/402154038.db2.gz IJNSEEAHMVXKOG-UHFFFAOYSA-N 0 0 308.385 2.236 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000153635969 402159203 /nfs/dbraw/zinc/15/92/03/402159203.db2.gz BKLYVQYUHRMFBL-JSGCOSHPSA-N 0 0 302.374 2.399 10 30 DEEERN CC[C@@H](CSC)NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000153691493 402163345 /nfs/dbraw/zinc/16/33/45/402163345.db2.gz ZOQBIUOUOAZNCG-ZDUSSCGKSA-N 0 0 319.430 2.472 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000154473181 402214596 /nfs/dbraw/zinc/21/45/96/402214596.db2.gz DZPJMGPGMWAPBE-DPAVQSFQSA-N 0 0 314.385 2.399 10 30 DEEERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(C#N)cn1 ZINC000107596545 402235731 /nfs/dbraw/zinc/23/57/31/402235731.db2.gz NIDRILWHPAQVMQ-OAHLLOKOSA-N 0 0 309.373 2.281 10 30 DEEERN CC(=O)CCc1ccc(OCC(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000108841614 402262498 /nfs/dbraw/zinc/26/24/98/402262498.db2.gz XNOIZXXKBGTIQM-INIZCTEOSA-N 0 0 300.358 2.005 10 30 DEEERN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000108839071 402262574 /nfs/dbraw/zinc/26/25/74/402262574.db2.gz IMUHAJNGFRNGNL-GUYCJALGSA-N 0 0 314.385 2.394 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1ccccc1Cn1cccn1 ZINC000176602352 402322846 /nfs/dbraw/zinc/32/28/46/402322846.db2.gz XHPPMKIJVRKURW-UHFFFAOYSA-N 0 0 319.368 2.072 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccccc1OCCCOC ZINC000184558590 402275723 /nfs/dbraw/zinc/27/57/23/402275723.db2.gz SKRIHFRJFHOVHF-ZDUSSCGKSA-N 0 0 308.378 2.160 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1 ZINC000184565556 402276804 /nfs/dbraw/zinc/27/68/04/402276804.db2.gz PKXCBGSAMSEZBQ-DOMZBBRYSA-N 0 0 319.405 2.273 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC[C@H](O)c1cc(OC)ccc1OC ZINC000184590086 402280705 /nfs/dbraw/zinc/28/07/05/402280705.db2.gz DNHAMWQAEMPOAT-DOMZBBRYSA-N 0 0 307.390 2.456 10 30 DEEERN CC(C)C[C@@H](CCO)CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000176290034 402297379 /nfs/dbraw/zinc/29/73/79/402297379.db2.gz UHOIHNNEPLCHSD-HUUCEWRRSA-N 0 0 318.417 2.486 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N(CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000185109806 402325497 /nfs/dbraw/zinc/32/54/97/402325497.db2.gz VLDIYPGWTXOMCC-KBPBESRZSA-N 0 0 301.452 2.405 10 30 DEEERN N#Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)ccn1 ZINC000225423280 402317060 /nfs/dbraw/zinc/31/70/60/402317060.db2.gz OSMVCALEBGDHDA-CVEARBPZSA-N 0 0 311.316 2.040 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCCNC(=O)c1ccc(OC)cc1 ZINC000185415648 402351330 /nfs/dbraw/zinc/35/13/30/402351330.db2.gz RNEMMCBSNUBSDM-CYBMUJFWSA-N 0 0 304.390 2.144 10 30 DEEERN C[C@H](NC(=O)NCc1ccc(C#N)cc1)c1nnc2n1CCCC2 ZINC000160876283 402364055 /nfs/dbraw/zinc/36/40/55/402364055.db2.gz OJKCJBMTMPLGME-LBPRGKRZSA-N 0 0 324.388 2.046 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000185690599 402369583 /nfs/dbraw/zinc/36/95/83/402369583.db2.gz XAGQRBJYXRINSS-STQMWFEESA-N 0 0 318.200 2.470 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1 ZINC000185761934 402374832 /nfs/dbraw/zinc/37/48/32/402374832.db2.gz XQCOXBSIYAMGDZ-NEPJUHHUSA-N 0 0 319.430 2.410 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC000185796666 402377535 /nfs/dbraw/zinc/37/75/35/402377535.db2.gz SDVXKZXICYKWGG-OAHLLOKOSA-N 0 0 313.401 2.085 10 30 DEEERN CCN(CC#Cc1ccc(Cl)cc1)[C@@H](C)CS(C)(=O)=O ZINC000177167445 402378026 /nfs/dbraw/zinc/37/80/26/402378026.db2.gz YYPHWRJGUYNUOK-ZDUSSCGKSA-N 0 0 313.850 2.447 10 30 DEEERN Cc1nccn1C[C@H]1CCCN1C(=O)c1sccc1C#N ZINC000177176212 402378570 /nfs/dbraw/zinc/37/85/70/402378570.db2.gz JZXHSWNTDFXBGJ-CYBMUJFWSA-N 0 0 300.387 2.430 10 30 DEEERN Cc1nccn1C[C@H]1CCCN1C(=O)COc1ccccc1C#N ZINC000177174536 402378636 /nfs/dbraw/zinc/37/86/36/402378636.db2.gz TVLJHUYKVTYACM-MRXNPFEDSA-N 0 0 324.384 2.133 10 30 DEEERN COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000185805976 402378912 /nfs/dbraw/zinc/37/89/12/402378912.db2.gz IKGYPZAGWZHPEX-RYUDHWBXSA-N 0 0 308.403 2.376 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1cc(Br)ccc1F ZINC000185871019 402384340 /nfs/dbraw/zinc/38/43/40/402384340.db2.gz MNIKTKQXXFMINY-LLVKDONJSA-N 0 0 316.170 2.184 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCc1cccc(OC(C)(C)C)n1 ZINC000185875041 402385445 /nfs/dbraw/zinc/38/54/45/402385445.db2.gz AKJKDEDTJOZLOW-CQSZACIVSA-N 0 0 306.406 2.245 10 30 DEEERN CCCC[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)OC ZINC000186501848 402436872 /nfs/dbraw/zinc/43/68/72/402436872.db2.gz XAQKRPYNBRNQCF-JSGCOSHPSA-N 0 0 318.373 2.174 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1cccc(-c2ccccn2)c1 ZINC000186569849 402442869 /nfs/dbraw/zinc/44/28/69/402442869.db2.gz XJVIGSUOPNIHLE-MRXNPFEDSA-N 0 0 311.385 2.485 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000185974075 402394122 /nfs/dbraw/zinc/39/41/22/402394122.db2.gz YOAFCJOLTKIYHC-KGLIPLIRSA-N 0 0 317.414 2.469 10 30 DEEERN C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000186710996 402458245 /nfs/dbraw/zinc/45/82/45/402458245.db2.gz URMIOTLDWUECAF-ZFWWWQNUSA-N 0 0 308.397 2.250 10 30 DEEERN COc1ccc(F)cc1CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000187844487 402512055 /nfs/dbraw/zinc/51/20/55/402512055.db2.gz NOBKHOOWMWYDRI-UHFFFAOYSA-N 0 0 320.345 2.184 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCOc2ccncc21 ZINC000178383776 402492458 /nfs/dbraw/zinc/49/24/58/402492458.db2.gz VUCLAPVNIOFCRM-LBPRGKRZSA-N 0 0 309.325 2.146 10 30 DEEERN N#Cc1cc(F)ccc1S(=O)(=O)NCCCc1ccccn1 ZINC000178870564 402548852 /nfs/dbraw/zinc/54/88/52/402548852.db2.gz OVGCQPMCZNXGOC-UHFFFAOYSA-N 0 0 319.361 2.003 10 30 DEEERN C=CCn1c(S[C@H]2CCNC2=O)nnc1-c1ccccc1F ZINC000179001118 402563488 /nfs/dbraw/zinc/56/34/88/402563488.db2.gz SUCYVCSSSQBLIP-LBPRGKRZSA-N 0 0 318.377 2.251 10 30 DEEERN CCN(CCC(=O)OC)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000179748208 402599756 /nfs/dbraw/zinc/59/97/56/402599756.db2.gz DMCMSXHPVJYPJT-UHFFFAOYSA-N 0 0 300.358 2.267 10 30 DEEERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cn1ccnc1C#N ZINC000179870253 402602772 /nfs/dbraw/zinc/60/27/72/402602772.db2.gz FXHICXJLUNRJLF-UHFFFAOYSA-N 0 0 320.356 2.196 10 30 DEEERN N#CCC[C@@H](C#N)CN1CCN(c2nc3ccccc3o2)CC1 ZINC000171623783 402602843 /nfs/dbraw/zinc/60/28/43/402602843.db2.gz AWMLMWFTAOYNJM-AWEZNQCLSA-N 0 0 309.373 2.393 10 30 DEEERN C=C(C)CN(C)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000180403918 402615530 /nfs/dbraw/zinc/61/55/30/402615530.db2.gz CUUHGDVVGRXPIK-INIZCTEOSA-N 0 0 300.402 2.112 10 30 DEEERN CC(C)OCCCCNC(=O)NCCOc1ccc(C#N)cc1 ZINC000181888860 402659868 /nfs/dbraw/zinc/65/98/68/402659868.db2.gz IDEKZLYAFRJTNI-UHFFFAOYSA-N 0 0 319.405 2.441 10 30 DEEERN COC(=O)CN(CC#N)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000172359314 402652128 /nfs/dbraw/zinc/65/21/28/402652128.db2.gz FITQIFUJXJXMBW-AWEZNQCLSA-N 0 0 300.358 2.022 10 30 DEEERN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)C(C)C ZINC000172450017 402657203 /nfs/dbraw/zinc/65/72/03/402657203.db2.gz WDAXSYWVFVXLED-LLVKDONJSA-N 0 0 303.406 2.204 10 30 DEEERN N#C[C@@H](NC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C1CC1 ZINC000173629999 402705312 /nfs/dbraw/zinc/70/53/12/402705312.db2.gz XJFWXRAPDSVLKC-UONOGXRCSA-N 0 0 317.776 2.111 10 30 DEEERN C[C@H]1CSCCN1C(=O)NCCOc1ccc(C#N)cc1 ZINC000173795874 402712944 /nfs/dbraw/zinc/71/29/44/402712944.db2.gz BXCNSABJFUJPBC-LBPRGKRZSA-N 0 0 305.403 2.084 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCCn1ccc2ccccc21 ZINC000182793132 402716239 /nfs/dbraw/zinc/71/62/39/402716239.db2.gz BXDBGKZZOGVOHZ-OAHLLOKOSA-N 0 0 301.390 2.268 10 30 DEEERN N#CCCCCNS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181986435 402662880 /nfs/dbraw/zinc/66/28/80/402662880.db2.gz NBKKNPGSKRVKBQ-UHFFFAOYSA-N 0 0 307.297 2.073 10 30 DEEERN COc1ccc(OC)c(C=NNS(=O)(=O)c2ccccc2)c1 ZINC000254582660 402671199 /nfs/dbraw/zinc/67/11/99/402671199.db2.gz YQHJBBCDBQJUFJ-UHFFFAOYSA-N 0 0 320.370 2.016 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C ZINC000183058017 402735866 /nfs/dbraw/zinc/73/58/66/402735866.db2.gz VOKTWGIEAROQNF-CHWSQXEVSA-N 0 0 322.405 2.309 10 30 DEEERN C[C@@H](NC(=O)Nc1ccccc1C#Cc1ccccc1)C(N)=O ZINC000175047181 402774178 /nfs/dbraw/zinc/77/41/78/402774178.db2.gz GZCDOCFFFWXIFU-CYBMUJFWSA-N 0 0 307.353 2.082 10 30 DEEERN COCCn1c(NC(=O)c2cc(C#N)cn2C)nc2ccccc21 ZINC000184072193 402815684 /nfs/dbraw/zinc/81/56/84/402815684.db2.gz ULRXFHWUHPXQCD-UHFFFAOYSA-N 0 0 323.356 2.145 10 30 DEEERN COCCOc1ccc(C#N)cc1NC(=O)[C@H]1CCOC[C@H]1C ZINC000194856810 402818755 /nfs/dbraw/zinc/81/87/55/402818755.db2.gz MGBVSRPCCVNBKX-OCCSQVGLSA-N 0 0 318.373 2.195 10 30 DEEERN Cc1ccc(C(=O)CCCC(=O)N2CCOC[C@@H]2C#N)cc1 ZINC000184213704 402827145 /nfs/dbraw/zinc/82/71/45/402827145.db2.gz UMPNEESHRIINQX-HNNXBMFYSA-N 0 0 300.358 2.099 10 30 DEEERN N#Cc1cccc(C#N)c1NCc1cccnc1-n1cncn1 ZINC000195191767 402836073 /nfs/dbraw/zinc/83/60/73/402836073.db2.gz CRSGBHKIRJINOV-UHFFFAOYSA-N 0 0 301.313 2.018 10 30 DEEERN COc1cccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC000183646234 402785238 /nfs/dbraw/zinc/78/52/38/402785238.db2.gz MOPXXRYCPNHBMX-UHFFFAOYSA-N 0 0 319.324 2.400 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)Cc2cccs2)cn1 ZINC000183666264 402787147 /nfs/dbraw/zinc/78/71/47/402787147.db2.gz QOGZSVBIALMOJE-UHFFFAOYSA-N 0 0 309.354 2.382 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000184463164 402845568 /nfs/dbraw/zinc/84/55/68/402845568.db2.gz AFMDROYRMMJCPY-AWEZNQCLSA-N 0 0 316.401 2.279 10 30 DEEERN C=CCCCN(C)C(=O)Nc1ccc(-c2cnn(C)c2)nn1 ZINC000278798874 402872420 /nfs/dbraw/zinc/87/24/20/402872420.db2.gz SDZHRKCRQKVPGC-UHFFFAOYSA-N 0 0 300.366 2.307 10 30 DEEERN C=CCN(C(=O)CN1C(=O)CSc2ccccc21)C1CC1 ZINC000271455900 402872716 /nfs/dbraw/zinc/87/27/16/402872716.db2.gz FLQPGJHVYBYDEO-UHFFFAOYSA-N 0 0 302.399 2.302 10 30 DEEERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1c[nH]c(C#N)c1)CCCC2 ZINC000279184749 402913574 /nfs/dbraw/zinc/91/35/74/402913574.db2.gz KRNJBVIHAZUILO-INIZCTEOSA-N 0 0 323.400 2.476 10 30 DEEERN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2COc3ccccc3O2)C1 ZINC000265397001 402915372 /nfs/dbraw/zinc/91/53/72/402915372.db2.gz VUNPBVSYGXDMFP-VMGRFDJRSA-N 0 0 300.358 2.415 10 30 DEEERN C=C(C)CS(=O)(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000280522494 403009248 /nfs/dbraw/zinc/00/92/48/403009248.db2.gz FVWVKRNSBYCQKA-AWEZNQCLSA-N 0 0 324.446 2.160 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273553573 403014749 /nfs/dbraw/zinc/01/47/49/403014749.db2.gz XYACVIJCQDZSJX-XHSDSOJGSA-N 0 0 322.380 2.282 10 30 DEEERN N#Cc1cc(Br)ccc1N1CCO[C@@]2(CCOC2)C1 ZINC000274403617 403051936 /nfs/dbraw/zinc/05/19/36/403051936.db2.gz NDTPPDRBFCMTBX-AWEZNQCLSA-N 0 0 323.190 2.316 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1sc2nccn2c1C ZINC000281343842 403066459 /nfs/dbraw/zinc/06/64/59/403066459.db2.gz JYKHZBMBCQZBRZ-NWDGAFQWSA-N 0 0 305.403 2.415 10 30 DEEERN C=CC[C@@H](CC)NC(=O)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000281544737 403071218 /nfs/dbraw/zinc/07/12/18/403071218.db2.gz YOQBDTBVDCNHNX-CQSZACIVSA-N 0 0 309.431 2.494 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)CSc2ccccc2C)C1=O ZINC000281550272 403071389 /nfs/dbraw/zinc/07/13/89/403071389.db2.gz YYNHUIFBCDNNOQ-AWEZNQCLSA-N 0 0 318.442 2.332 10 30 DEEERN CC#CCNC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000281722723 403085446 /nfs/dbraw/zinc/08/54/46/403085446.db2.gz AECQPRQAJUKEDB-CQSZACIVSA-N 0 0 300.406 2.132 10 30 DEEERN C=CCN1CC[C@@H](N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000281964060 403108941 /nfs/dbraw/zinc/10/89/41/403108941.db2.gz KQFFVGQZFIOPRD-SWLSCSKDSA-N 0 0 303.362 2.375 10 30 DEEERN C=CCN1CC[C@H](N(C)c2cc(C)nc(-c3cccnc3)n2)C1=O ZINC000281847204 403097640 /nfs/dbraw/zinc/09/76/40/403097640.db2.gz LZISBBGGKUGSID-HNNXBMFYSA-N 0 0 323.400 2.070 10 30 DEEERN COc1ccc(Cl)cc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000377682703 286316641 /nfs/dbraw/zinc/31/66/41/286316641.db2.gz ZFJRNWULPNRQGQ-ZDUSSCGKSA-N 0 0 319.792 2.161 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@H](CC)C1 ZINC000282420567 403152389 /nfs/dbraw/zinc/15/23/89/403152389.db2.gz XXVYCCGLWSKZKH-UONOGXRCSA-N 0 0 306.410 2.178 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(N2CCOCC2)cc1C ZINC000277298135 403202461 /nfs/dbraw/zinc/20/24/61/403202461.db2.gz DIJRIOLEPDZWDZ-UHFFFAOYSA-N 0 0 310.397 2.433 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccc(-n2nc(C)cc2C)nc1 ZINC000277470330 403221217 /nfs/dbraw/zinc/22/12/17/403221217.db2.gz PNHXNGUHDFDHMX-UHFFFAOYSA-N 0 0 320.396 2.163 10 30 DEEERN CC#CC(=O)N1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000283929516 403233228 /nfs/dbraw/zinc/23/32/28/403233228.db2.gz YQBDINNSQBPWRI-UHFFFAOYSA-N 0 0 306.387 2.049 10 30 DEEERN C=CCn1c(N2CC[C@](O)(C(F)(F)F)C2)nnc1C(C)(C)C ZINC000283416852 403195904 /nfs/dbraw/zinc/19/59/04/403195904.db2.gz GGTCJXJTXGYSRL-CYBMUJFWSA-N 0 0 318.343 2.265 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000277854451 403264659 /nfs/dbraw/zinc/26/46/59/403264659.db2.gz YYFOPVVMVZRRHU-QGZVFWFLSA-N 0 0 324.424 2.443 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCC[C@H]1c1nc2c(n1C)CCCC2 ZINC000286003934 403429038 /nfs/dbraw/zinc/42/90/38/403429038.db2.gz GLTCDARYGYDHBL-YJBOKZPZSA-N 0 0 317.433 2.290 10 30 DEEERN C=CCOc1cccc(NC(=O)NC2CCC(C(N)=O)CC2)c1 ZINC000345688680 403437254 /nfs/dbraw/zinc/43/72/54/403437254.db2.gz GJEBJBGLERLYGA-UHFFFAOYSA-N 0 0 317.389 2.417 10 30 DEEERN C=CCSCCNC(=O)C(=O)N(CC)[C@H](C)c1cccnc1 ZINC000286443908 403528389 /nfs/dbraw/zinc/52/83/89/403528389.db2.gz IITCLFQUJWQFSA-CYBMUJFWSA-N 0 0 321.446 2.027 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CC=C(c2ccnn2C)CC1 ZINC000286461255 403531381 /nfs/dbraw/zinc/53/13/81/403531381.db2.gz VDYIUFZYDNQLGG-KRWDZBQOSA-N 0 0 303.406 2.265 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCOC1 ZINC000287054914 403553018 /nfs/dbraw/zinc/55/30/18/403553018.db2.gz WUKFFZRAPOPKNJ-DLBZAZTESA-N 0 0 300.402 2.347 10 30 DEEERN C=CCC(F)(F)C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000293600010 403515596 /nfs/dbraw/zinc/51/55/96/403515596.db2.gz FYNLILLNAGATLK-CYBMUJFWSA-N 0 0 308.328 2.462 10 30 DEEERN C=CCC(C)(C)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000346429505 403589349 /nfs/dbraw/zinc/58/93/49/403589349.db2.gz CXRRGPRDXXAQCE-AWEZNQCLSA-N 0 0 301.390 2.296 10 30 DEEERN C#CCC(CC#C)C(=O)NCCc1ccn(-c2ccccc2)n1 ZINC000287221472 403556966 /nfs/dbraw/zinc/55/69/66/403556966.db2.gz ATHFGJCZRFKKSL-UHFFFAOYSA-N 0 0 305.381 2.194 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCn1ccnc1C ZINC000287296475 403570015 /nfs/dbraw/zinc/57/00/15/403570015.db2.gz ZFKCCEVIDAUSRK-KRWDZBQOSA-N 0 0 310.401 2.125 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](COC)Cc1ccccc1 ZINC000346175936 403577411 /nfs/dbraw/zinc/57/74/11/403577411.db2.gz DBTVCGBJUDLFEQ-ULQDDVLXSA-N 0 0 303.402 2.342 10 30 DEEERN C=C[C@](C)(CC)C(=O)N[C@H](C(=O)OCc1ccccc1)[C@H](C)O ZINC000293961186 403609745 /nfs/dbraw/zinc/60/97/45/403609745.db2.gz IKGPVVVEOPORKS-DHSIGJKJSA-N 0 0 319.401 2.198 10 30 DEEERN C#CCC(CC#C)C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000287548406 403621357 /nfs/dbraw/zinc/62/13/57/403621357.db2.gz WZQQNXIDSSYZGM-CQSZACIVSA-N 0 0 318.417 2.022 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@H](C)N1CCc2sccc2C1 ZINC000287712577 403653914 /nfs/dbraw/zinc/65/39/14/403653914.db2.gz VCBXABRWZMNFMB-CQSZACIVSA-N 0 0 314.454 2.274 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 ZINC000288003416 403707365 /nfs/dbraw/zinc/70/73/65/403707365.db2.gz BKZYOTQUPWUSEE-ZBEGNZNMSA-N 0 0 322.792 2.276 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc2nc(C)cn2c1 ZINC000343791645 403735400 /nfs/dbraw/zinc/73/54/00/403735400.db2.gz QTBMHYBZCHRJKY-GFCCVEGCSA-N 0 0 314.389 2.442 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](COC)c1ccc(CC)o1 ZINC000289277739 403893926 /nfs/dbraw/zinc/89/39/26/403893926.db2.gz XLTRWEZKXYUTLS-AWEZNQCLSA-N 0 0 322.405 2.070 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N(CC)[C@H]1CCOC1 ZINC000361876121 403905853 /nfs/dbraw/zinc/90/58/53/403905853.db2.gz UHDTVZNGTCZCBU-HNNXBMFYSA-N 0 0 316.401 2.381 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C[C@@H](C)CC(=O)OC ZINC000289514939 403983034 /nfs/dbraw/zinc/98/30/34/403983034.db2.gz CQGZTXWLGQIZFZ-ZBFHGGJFSA-N 0 0 301.386 2.327 10 30 DEEERN Cc1ncc(S(=O)(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)cc1C#N ZINC000314799788 404002937 /nfs/dbraw/zinc/00/29/37/404002937.db2.gz WXMGMTXJUYRHTF-MISXGVKJSA-N 0 0 307.419 2.365 10 30 DEEERN C=C[C@](C)(O)CC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000289937336 404009575 /nfs/dbraw/zinc/00/95/75/404009575.db2.gz LHMRUDNLWAIEPT-SFHVURJKSA-N 0 0 316.401 2.147 10 30 DEEERN C#CCOc1cccc(NC(=O)C(=O)NCCCC(C)(F)F)c1 ZINC000295979850 404036891 /nfs/dbraw/zinc/03/68/91/404036891.db2.gz HUGAQUAWPWMDKK-UHFFFAOYSA-N 0 0 324.327 2.189 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)c3cccc(C)n3)C2)n1 ZINC000328615791 404115739 /nfs/dbraw/zinc/11/57/39/404115739.db2.gz ZIACTSJEVXDKFD-CYBMUJFWSA-N 0 0 313.361 2.282 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)COC[C@H]1CCOC1)CCC2 ZINC000328694570 404132002 /nfs/dbraw/zinc/13/20/02/404132002.db2.gz CWXLZRAIZVGBGK-KBPBESRZSA-N 0 0 307.394 2.079 10 30 DEEERN C=CCCC(=O)N[C@H](C(=O)OC)c1ccc(OC)cc1OC ZINC000349269758 404141516 /nfs/dbraw/zinc/14/15/16/404141516.db2.gz VNUTUUUGPHZIDA-HNNXBMFYSA-N 0 0 307.346 2.000 10 30 DEEERN CC1(C)C[C@@H]([NH+]=C([O-])N2CCC[C@H]2Cn2ccnn2)C(C)(C)O1 ZINC000329044297 404211959 /nfs/dbraw/zinc/21/19/59/404211959.db2.gz JBYLULZDKUFKJH-QWHCGFSZSA-N 0 0 321.425 2.003 10 30 DEEERN C=C(Cl)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000363840152 404225219 /nfs/dbraw/zinc/22/52/19/404225219.db2.gz YPGRPFFONCYVBO-MJBXVCDLSA-N 0 0 320.824 2.483 10 30 DEEERN C=CCN(C(=O)c1cc(C)on1)c1nc(C(=O)OCC)cs1 ZINC000355106553 404221513 /nfs/dbraw/zinc/22/15/13/404221513.db2.gz ZSEUUDJHGLECOW-UHFFFAOYSA-N 0 0 321.358 2.449 10 30 DEEERN O=C(N[C@@H]1CCN(c2ccccc2)C1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000328857422 404164030 /nfs/dbraw/zinc/16/40/30/404164030.db2.gz XWBLCBWJXAKXED-OIISXLGYSA-N 0 0 315.417 2.336 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCCC[C@H]1CC ZINC000290462422 404177870 /nfs/dbraw/zinc/17/78/70/404177870.db2.gz SRHQDTJFGQPXFL-ZIAGYGMSSA-N 0 0 306.410 2.321 10 30 DEEERN CC#CCCNC(=O)NCc1nnc(CCc2ccccc2)o1 ZINC000355170139 404256950 /nfs/dbraw/zinc/25/69/50/404256950.db2.gz WPNYALZQFWDNRT-UHFFFAOYSA-N 0 0 312.373 2.067 10 30 DEEERN C#Cc1ccc(CNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000296496239 404275089 /nfs/dbraw/zinc/27/50/89/404275089.db2.gz NIKUIEWNDKZGQL-BRWVUGGUSA-N 0 0 310.397 2.425 10 30 DEEERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000329269274 404286449 /nfs/dbraw/zinc/28/64/49/404286449.db2.gz GWNLOURFEKJNQC-IHRRRGAJSA-N 0 0 305.426 2.311 10 30 DEEERN COc1cccc([C@@H]2CCCN2C(=O)Cn2ccnc2C#N)c1 ZINC000364053324 404301103 /nfs/dbraw/zinc/30/11/03/404301103.db2.gz DOELRKUSDRAWQC-HNNXBMFYSA-N 0 0 310.357 2.127 10 30 DEEERN C=CCC1(C(=O)Nc2cc3c(cc2O)n(C)c(=O)n3C)CCC1 ZINC000291566087 404429471 /nfs/dbraw/zinc/42/94/71/404429471.db2.gz OLYJKVDFWCMDNF-UHFFFAOYSA-N 0 0 315.373 2.268 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)c1ccc(CN2CCOCC2)cn1 ZINC000356047733 404387423 /nfs/dbraw/zinc/38/74/23/404387423.db2.gz CTEKCVSGIHOUPM-MRXNPFEDSA-N 0 0 315.417 2.095 10 30 DEEERN Cn1cc(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(C2CC2)n1 ZINC000329603017 404389737 /nfs/dbraw/zinc/38/97/37/404389737.db2.gz GDGIDKNEYHFZKG-DFBGVHRSSA-N 0 0 316.405 2.390 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@H](O)C2(CC2)C1 ZINC000364433108 404391086 /nfs/dbraw/zinc/39/10/86/404391086.db2.gz FZZUJEJRGHCVAY-ZFWWWQNUSA-N 0 0 320.458 2.108 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1cnc(-c2ccncc2)s1 ZINC000342151993 404404517 /nfs/dbraw/zinc/40/45/17/404404517.db2.gz ASZOYSJKSKAEQQ-NSHDSACASA-N 0 0 303.387 2.120 10 30 DEEERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000329801930 404456791 /nfs/dbraw/zinc/45/67/91/404456791.db2.gz YYGFVNABKRRXQS-HUUCEWRRSA-N 0 0 318.421 2.289 10 30 DEEERN C=CCN(C)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000342235734 404459103 /nfs/dbraw/zinc/45/91/03/404459103.db2.gz NMVGJRVMVPCWST-DZGCQCFKSA-N 0 0 301.390 2.003 10 30 DEEERN C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@H]2CCC[C@H]21 ZINC000351171684 404525477 /nfs/dbraw/zinc/52/54/77/404525477.db2.gz TYLQIJVAVAMWKA-BFHYXJOUSA-N 0 0 306.410 2.177 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000297665406 404583903 /nfs/dbraw/zinc/58/39/03/404583903.db2.gz FVICSLRFLSOJIV-AWEZNQCLSA-N 0 0 322.430 2.073 10 30 DEEERN CCOc1ccccc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000365253887 404585853 /nfs/dbraw/zinc/58/58/53/404585853.db2.gz RSZIMWKOVCBSAK-CQSZACIVSA-N 0 0 314.389 2.289 10 30 DEEERN C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccnn1CC ZINC000351407260 404577616 /nfs/dbraw/zinc/57/76/16/404577616.db2.gz GCLJFALWYINXJD-UHFFFAOYSA-N 0 0 323.393 2.419 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000297760043 404615866 /nfs/dbraw/zinc/61/58/66/404615866.db2.gz HZDACRGIQUWMKI-UHFFFAOYSA-N 0 0 310.344 2.348 10 30 DEEERN C=CCOc1ccc(CN2CCO[C@@H]([C@@H](C)O)C2)cc1Cl ZINC000414561826 404682155 /nfs/dbraw/zinc/68/21/55/404682155.db2.gz AGHDHGFZWUYGAX-MLGOLLRUSA-N 0 0 311.809 2.486 10 30 DEEERN C=CCNC(=O)C(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000352938822 404698545 /nfs/dbraw/zinc/69/85/45/404698545.db2.gz SWDYQLGNTPJAEL-UHFFFAOYSA-N 0 0 306.362 2.068 10 30 DEEERN C=CCN(Cc1ccnc(C)n1)S(=O)(=O)c1cccs1 ZINC000358561446 404766645 /nfs/dbraw/zinc/76/66/45/404766645.db2.gz RJMAUCRLDLLISD-UHFFFAOYSA-N 0 0 309.416 2.223 10 30 DEEERN N#Cc1ccnc(N2CCOc3cccc(F)c3C2)c1[N+](=O)[O-] ZINC000374582953 404708796 /nfs/dbraw/zinc/70/87/96/404708796.db2.gz FSBZMCFBNFNHSJ-UHFFFAOYSA-N 0 0 314.276 2.400 10 30 DEEERN C=C(C)Cn1c(C2CCC2)nnc1N(CCOC)[C@@H]1CCOC1 ZINC000358832595 404777309 /nfs/dbraw/zinc/77/73/09/404777309.db2.gz QQUZZGJDUNWLRC-OAHLLOKOSA-N 0 0 320.437 2.363 10 30 DEEERN C=CCN(CCOC)C(=O)NCCc1cccc(OCC)c1 ZINC000359248258 404788295 /nfs/dbraw/zinc/78/82/95/404788295.db2.gz BNERISCQMSHRFV-UHFFFAOYSA-N 0 0 306.406 2.472 10 30 DEEERN N#C[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)CCN1C1CC1 ZINC000360093435 404818101 /nfs/dbraw/zinc/81/81/01/404818101.db2.gz RPNXVKYZOPMBON-GOSISDBHSA-N 0 0 307.401 2.044 10 30 DEEERN CC#CCCCC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000366744897 404840805 /nfs/dbraw/zinc/84/08/05/404840805.db2.gz HXUJGJARKVPXRD-CVEARBPZSA-N 0 0 304.434 2.477 10 30 DEEERN CO[C@@H]1CCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C1 ZINC000360998030 404872613 /nfs/dbraw/zinc/87/26/13/404872613.db2.gz VGEPCOJTUKLARV-ZBFHGGJFSA-N 0 0 302.374 2.209 10 30 DEEERN CCOc1cccc(CCNS(=O)(=O)CC2(CC#N)CC2)c1 ZINC000451336029 404959221 /nfs/dbraw/zinc/95/92/21/404959221.db2.gz OKLFEZDISOWGPF-UHFFFAOYSA-N 0 0 322.430 2.241 10 30 DEEERN Cc1cnccc1OC1CCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000451232259 404912223 /nfs/dbraw/zinc/91/22/23/404912223.db2.gz FOFKWENXUUSCIW-UHFFFAOYSA-N 0 0 324.384 2.284 10 30 DEEERN CC(C)NC(=O)c1ccc(C(=O)Nc2cc(C#N)ccn2)cc1 ZINC000436020535 405037350 /nfs/dbraw/zinc/03/73/50/405037350.db2.gz ZOUIKLCDJHNGOD-UHFFFAOYSA-N 0 0 308.341 2.344 10 30 DEEERN C=CCCCCCN(C)C(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC000361489573 405097980 /nfs/dbraw/zinc/09/79/80/405097980.db2.gz IAOGGJZTDKBLAH-HNNXBMFYSA-N 0 0 324.465 2.465 10 30 DEEERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000408046952 405098916 /nfs/dbraw/zinc/09/89/16/405098916.db2.gz NTCQRMSFDMQERN-ZIAGYGMSSA-N 0 0 316.405 2.133 10 30 DEEERN N#Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1O ZINC000407963088 405077356 /nfs/dbraw/zinc/07/73/56/405077356.db2.gz OHUIMSANTPKPRB-XHSDSOJGSA-N 0 0 314.385 2.420 10 30 DEEERN C=CCC1(C(=O)NCCCC(=O)N(CC)CC)CCOCC1 ZINC000424585441 405122588 /nfs/dbraw/zinc/12/25/88/405122588.db2.gz CQYLTSQRZLQLMM-UHFFFAOYSA-N 0 0 310.438 2.124 10 30 DEEERN C=C(C)C(C)(C)C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000424596647 405125415 /nfs/dbraw/zinc/12/54/15/405125415.db2.gz JEMIFUAWKSIKHT-CYBMUJFWSA-N 0 0 306.381 2.188 10 30 DEEERN C=CCC1(C(=O)NC[C@H](CO)Cc2ccccc2)CCOCC1 ZINC000424679988 405148330 /nfs/dbraw/zinc/14/83/30/405148330.db2.gz MFJPFBDLKJFKQS-QGZVFWFLSA-N 0 0 317.429 2.327 10 30 DEEERN C[C@@H]1[C@H](C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1(F)F ZINC000408230471 405147038 /nfs/dbraw/zinc/14/70/38/405147038.db2.gz BGZRGBVINUTOIC-DDTOSNHZSA-N 0 0 306.312 2.359 10 30 DEEERN N#Cc1csc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)c1 ZINC000408399340 405195835 /nfs/dbraw/zinc/19/58/35/405195835.db2.gz GVPLUIMSPBZQQI-NSHDSACASA-N 0 0 304.293 2.149 10 30 DEEERN C=CCC1(C(=O)N2C[C@@H](C)OC3(CCOCC3)C2)CCOCC1 ZINC000424859167 405197467 /nfs/dbraw/zinc/19/74/67/405197467.db2.gz UHJPBLXJNATBFB-OAHLLOKOSA-N 0 0 323.433 2.156 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000354437618 405211586 /nfs/dbraw/zinc/21/15/86/405211586.db2.gz AGYZKCLGIOQPFJ-QGZVFWFLSA-N 0 0 322.474 2.282 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1=Cc2cc(OC)ccc2OC1 ZINC000424931204 405214177 /nfs/dbraw/zinc/21/41/77/405214177.db2.gz JHVBQKJSFXULND-LRDDRELGSA-N 0 0 315.369 2.178 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(OCC(F)F)n1 ZINC000424930652 405214681 /nfs/dbraw/zinc/21/46/81/405214681.db2.gz GWLZRKLYIUSESA-JQWIXIFHSA-N 0 0 312.316 2.046 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1coc(Br)c1 ZINC000424932092 405215075 /nfs/dbraw/zinc/21/50/75/405215075.db2.gz LZNYNGSIIRNWPA-WPRPVWTQSA-N 0 0 300.152 2.363 10 30 DEEERN C=C[C@@](C)(O)CC(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC000424942543 405217467 /nfs/dbraw/zinc/21/74/67/405217467.db2.gz AJBWEXROYRTZIT-CXAGYDPISA-N 0 0 313.438 2.434 10 30 DEEERN C=CCn1c(C)nnc1S(=O)(=O)Cc1cc(C)ccc1F ZINC000453013295 405274223 /nfs/dbraw/zinc/27/42/23/405274223.db2.gz CBSAZNLRXJZGPG-UHFFFAOYSA-N 0 0 309.366 2.194 10 30 DEEERN C=C(C)CS(=O)(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC000425190987 405255864 /nfs/dbraw/zinc/25/58/64/405255864.db2.gz UUKLGQZLLCZPQJ-CYBMUJFWSA-N 0 0 319.467 2.486 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC[C@@H]1CCCC[C@H]1O ZINC000425846740 405324010 /nfs/dbraw/zinc/32/40/10/405324010.db2.gz BYTVNLBZSRAWOX-JONQDZQNSA-N 0 0 310.438 2.208 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)CNc1ccccc1 ZINC000425853319 405324732 /nfs/dbraw/zinc/32/47/32/405324732.db2.gz IPLMULJKHCYPGI-YCPHGPKFSA-N 0 0 303.406 2.377 10 30 DEEERN C=CCC[C@H](CO)NC(=O)Nc1ccc(N2CCCC2)nc1 ZINC000454337917 405331633 /nfs/dbraw/zinc/33/16/33/405331633.db2.gz ITDNMNUTFLJZSR-CQSZACIVSA-N 0 0 304.394 2.130 10 30 DEEERN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC23CCC3)c1 ZINC000441514865 405335234 /nfs/dbraw/zinc/33/52/34/405335234.db2.gz UHXCZUHZHPKUJG-UHFFFAOYSA-N 0 0 303.749 2.305 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)C(=O)NCC1CCC(C#N)CC1 ZINC000443336580 405338643 /nfs/dbraw/zinc/33/86/43/405338643.db2.gz VQXNVGQEKNYCCL-UHFFFAOYSA-N 0 0 324.384 2.251 10 30 DEEERN C=CCC1(C(=O)N2CCN(CC(C)C)C(=O)[C@H]2C)CCOCC1 ZINC000425564223 405303744 /nfs/dbraw/zinc/30/37/44/405303744.db2.gz UJCQOHDYKMOOLM-OAHLLOKOSA-N 0 0 322.449 2.075 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C)c2ccccc2C1 ZINC000425595352 405305732 /nfs/dbraw/zinc/30/57/32/405305732.db2.gz ZVYIWVNCIOGTPS-YOEHRIQHSA-N 0 0 315.417 2.239 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000448608566 405427052 /nfs/dbraw/zinc/42/70/52/405427052.db2.gz SRCPHFPBFCMQJY-SJORKVTESA-N 0 0 311.385 2.422 10 30 DEEERN C=CCC1(CNC(=O)N2CCN(C(C)=O)C[C@H]2C)CCCC1 ZINC000455470616 405414669 /nfs/dbraw/zinc/41/46/69/405414669.db2.gz BXFZTJRXRDMZEU-CQSZACIVSA-N 0 0 307.438 2.385 10 30 DEEERN Cc1cccc(CN2CCN(C(=O)c3ccc(C#N)n3C)CC2)c1 ZINC000448580461 405422334 /nfs/dbraw/zinc/42/23/34/405422334.db2.gz YQKAVCOCWIWNJW-UHFFFAOYSA-N 0 0 322.412 2.163 10 30 DEEERN COCCOc1ccc(NC(=O)c2ccc(C#N)n2C)c(C)c1 ZINC000448730985 405442477 /nfs/dbraw/zinc/44/24/77/405442477.db2.gz CMSLHHPRTNICER-UHFFFAOYSA-N 0 0 313.357 2.483 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1nn2c(c1C)OCCC2 ZINC000448823127 405452262 /nfs/dbraw/zinc/45/22/62/405452262.db2.gz LLCRMRWZJNPHIQ-UHFFFAOYSA-N 0 0 303.284 2.165 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000456769679 405557445 /nfs/dbraw/zinc/55/74/45/405557445.db2.gz QQIMWEFTGXYGOO-HNNXBMFYSA-N 0 0 302.349 2.172 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1CCc2nc(COC)ncc2C1 ZINC000633208030 405504018 /nfs/dbraw/zinc/50/40/18/405504018.db2.gz QCUOJHIDCSXYLJ-ZDUSSCGKSA-N 0 0 304.394 2.045 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1nc(-c2ccco2)c(C)s1 ZINC000635798325 405512913 /nfs/dbraw/zinc/51/29/13/405512913.db2.gz ZCALCRUJHFRHEZ-NSHDSACASA-N 0 0 306.387 2.307 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCc1cnn(CCOC)c1 ZINC000633224815 405514124 /nfs/dbraw/zinc/51/41/24/405514124.db2.gz BMCYTJZXSANSQQ-UHFFFAOYSA-N 0 0 308.426 2.321 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)Cc1coc2cc(OC)ccc12 ZINC000456761699 405554533 /nfs/dbraw/zinc/55/45/33/405554533.db2.gz XULRUTMPMROTSJ-ZDUSSCGKSA-N 0 0 303.358 2.427 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000580556685 405643663 /nfs/dbraw/zinc/64/36/63/405643663.db2.gz ANAJIUXVYGXGAO-WFASDCNBSA-N 0 0 315.373 2.136 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)C[C@H](n1ccnc1)C(F)(F)F ZINC000635996733 405666817 /nfs/dbraw/zinc/66/68/17/405666817.db2.gz HEPDNRMRIJKSCX-WOPDTQHZSA-N 0 0 317.311 2.226 10 30 DEEERN COC(=O)C(C)(C)N1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000494421335 405695393 /nfs/dbraw/zinc/69/53/93/405695393.db2.gz YJJZZKJHMZNDOD-CQSZACIVSA-N 0 0 315.417 2.188 10 30 DEEERN C=CCCCCCNC(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000582429148 405729640 /nfs/dbraw/zinc/72/96/40/405729640.db2.gz KNZJENWERAEEJJ-JKSUJKDBSA-N 0 0 309.454 2.237 10 30 DEEERN C[C@@H](O)C[C@H](CNC(=O)c1ccc(C#N)n1C)c1ccccc1 ZINC000450118629 405745024 /nfs/dbraw/zinc/74/50/24/405745024.db2.gz WCTSWESTGKCKNN-UKRRQHHQSA-N 0 0 311.385 2.181 10 30 DEEERN C=CCC1(NC(=O)c2[nH]ncc2C(F)(F)F)CCOCC1 ZINC000633642577 405762219 /nfs/dbraw/zinc/76/22/19/405762219.db2.gz XTHDMURYSOFKEJ-UHFFFAOYSA-N 0 0 303.284 2.284 10 30 DEEERN C=CCOc1ccc(CC(=O)NCC[C@H](C)[S@](C)=O)cc1 ZINC000450153064 405759139 /nfs/dbraw/zinc/75/91/39/405759139.db2.gz SCTSBKOTBBFGJV-ZSEKCTLFSA-N 0 0 309.431 2.067 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCCO[C@@H]1CC(C)C ZINC000583930971 405790294 /nfs/dbraw/zinc/79/02/94/405790294.db2.gz KGCZBMVPDAGWHD-XUWVNRHRSA-N 0 0 310.438 2.470 10 30 DEEERN C=C[C@](C)(O)C(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000633771408 405828911 /nfs/dbraw/zinc/82/89/11/405828911.db2.gz UTQWYOGFBKKZAL-ZGFBFQLVSA-N 0 0 322.202 2.140 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)Oc2ccccc2NC1=O ZINC000633646925 405764631 /nfs/dbraw/zinc/76/46/31/405764631.db2.gz PMOMKWGGUKSAMS-FHSNZYRGSA-N 0 0 312.369 2.486 10 30 DEEERN C=C[C@H](CO)NC(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC000633647934 405764818 /nfs/dbraw/zinc/76/48/18/405764818.db2.gz APMCAGUIKLJPGE-UMVBOHGHSA-N 0 0 324.218 2.390 10 30 DEEERN C[C@H](NC(=O)Cc1cccc(C#N)c1)c1ccc2c(c1)CC(=O)N2 ZINC000530908190 405879944 /nfs/dbraw/zinc/87/99/44/405879944.db2.gz WKCRLWOODSZZJR-LBPRGKRZSA-N 0 0 319.364 2.473 10 30 DEEERN C=CCCn1cc(C(=O)NC[C@]2(O)CCCC(C)(C)CC2)nn1 ZINC000633887746 405890151 /nfs/dbraw/zinc/89/01/51/405890151.db2.gz IVYAXUIJRAOJQL-KRWDZBQOSA-N 0 0 320.437 2.305 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1ccc(S(N)(=O)=O)s1 ZINC000633965142 405933488 /nfs/dbraw/zinc/93/34/88/405933488.db2.gz ZRPKKGBQZLHNTB-UHFFFAOYSA-N 0 0 316.448 2.118 10 30 DEEERN C=CCCC(=O)NCCC1(O)CCN(c2ccccc2)CC1 ZINC000634009352 405956341 /nfs/dbraw/zinc/95/63/41/405956341.db2.gz KBLTXMYHEZPQTH-UHFFFAOYSA-N 0 0 302.418 2.490 10 30 DEEERN C=CCN(CCC#N)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000433292746 405913798 /nfs/dbraw/zinc/91/37/98/405913798.db2.gz YYPWJUYGFHNZBD-AWEZNQCLSA-N 0 0 312.373 2.224 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCc1ccc(F)cc1F ZINC000636603138 406024310 /nfs/dbraw/zinc/02/43/10/406024310.db2.gz KNJVJESGKZNVPC-UHFFFAOYSA-N 0 0 324.371 2.342 10 30 DEEERN C=C[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000461456941 406082902 /nfs/dbraw/zinc/08/29/02/406082902.db2.gz RHZDMKDJENUQJR-XQLPTFJDSA-N 0 0 300.406 2.305 10 30 DEEERN C=CCC[C@H](NC(=O)c1nc(C)ncc1Cl)C(=O)OCC ZINC000566605071 406089573 /nfs/dbraw/zinc/08/95/73/406089573.db2.gz SBJUEEYVVPVVFN-NSHDSACASA-N 0 0 311.769 2.066 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000636817785 406090620 /nfs/dbraw/zinc/09/06/20/406090620.db2.gz VMDDZHCWCZYAAN-ZIAGYGMSSA-N 0 0 310.438 2.025 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@H]1CCC[C@H]1OC ZINC000636653688 406043585 /nfs/dbraw/zinc/04/35/85/406043585.db2.gz GLTMKKCDMGYNDR-ZIAGYGMSSA-N 0 0 310.438 2.026 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NCCc1ccccc1OC(F)F ZINC000451103420 406052102 /nfs/dbraw/zinc/05/21/02/406052102.db2.gz NSLDHDYYYZTKFK-UHFFFAOYSA-N 0 0 319.311 2.471 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000514934598 406055602 /nfs/dbraw/zinc/05/56/02/406055602.db2.gz UKVOMFCFQZTFCZ-BIVLZKPYSA-N 0 0 322.449 2.303 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H](C)[C@H](C(=O)OCC)CC[C@@H]1C ZINC000515061714 406056558 /nfs/dbraw/zinc/05/65/58/406056558.db2.gz HINSXFGNRYEBNM-JARUQAPTSA-N 0 0 309.406 2.156 10 30 DEEERN C=CCSCCNC(=O)N[C@H](c1ccccc1F)[C@@H](C)O ZINC000563229380 406059455 /nfs/dbraw/zinc/05/94/55/406059455.db2.gz DMWVCEFJHFBWLF-RISCZKNCSA-N 0 0 312.410 2.466 10 30 DEEERN C=CCC1(C(=O)NCc2noc(C(F)(F)F)n2)CCOCC1 ZINC000565483843 406073375 /nfs/dbraw/zinc/07/33/75/406073375.db2.gz QTOFVFMAYINYCO-UHFFFAOYSA-N 0 0 319.283 2.078 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000636772089 406077661 /nfs/dbraw/zinc/07/76/61/406077661.db2.gz SWAUFZYHNCJBQL-MCIONIFRSA-N 0 0 322.449 2.025 10 30 DEEERN C=C(C)CN(C)C(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000479254103 406161146 /nfs/dbraw/zinc/16/11/46/406161146.db2.gz WOYBHUISFBOJNE-CYBMUJFWSA-N 0 0 324.446 2.075 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC1CCC(O)(CC)CC1 ZINC000636867682 406106337 /nfs/dbraw/zinc/10/63/37/406106337.db2.gz VVRWCSLZKMQJJF-UHFFFAOYSA-N 0 0 324.465 2.295 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(CCF)CC1 ZINC000634340967 406107322 /nfs/dbraw/zinc/10/73/22/406107322.db2.gz GIDVJXKPIICCLM-AWEZNQCLSA-N 0 0 324.400 2.128 10 30 DEEERN CN1c2ccc(NC(=O)Cc3cccc(C#N)c3)cc2OCC1=O ZINC000532887257 406108061 /nfs/dbraw/zinc/10/80/61/406108061.db2.gz KTJPOXJFBBZHRO-UHFFFAOYSA-N 0 0 321.336 2.095 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000567695043 406120616 /nfs/dbraw/zinc/12/06/16/406120616.db2.gz UNLUPUPNYCDGMG-SNPRPXQTSA-N 0 0 300.358 2.033 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H](O)C[C@H]1c1ccccc1 ZINC000567743365 406131612 /nfs/dbraw/zinc/13/16/12/406131612.db2.gz SDWDEMZIITZZOS-YVSFHVDLSA-N 0 0 316.401 2.095 10 30 DEEERN C=CCNC(=O)[C@@H](C)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC000634581600 406179536 /nfs/dbraw/zinc/17/95/36/406179536.db2.gz YZZNRCRKEKQKHJ-LLVKDONJSA-N 0 0 317.389 2.146 10 30 DEEERN C=CCn1c(SC[C@H](O)C[C@@](C)(O)C2CC2)nnc1C1CC1 ZINC000634637752 406201210 /nfs/dbraw/zinc/20/12/10/406201210.db2.gz BCIORFIUDFKRPM-CZUORRHYSA-N 0 0 323.462 2.346 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1Cc2cncn2C1 ZINC000637223320 406219726 /nfs/dbraw/zinc/21/97/26/406219726.db2.gz KBYMVNHHTDKCGS-JKSUJKDBSA-N 0 0 310.401 2.294 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](O)[C@@H]1CCCO1 ZINC000637224887 406219916 /nfs/dbraw/zinc/21/99/16/406219916.db2.gz RYGDMUNNDHUGIF-IKGGRYGDSA-N 0 0 318.417 2.013 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1cc(C(F)(F)F)nc2ncnn21 ZINC000519764881 406248882 /nfs/dbraw/zinc/24/88/82/406248882.db2.gz NLKMOYCWBKJEIH-IUCAKERBSA-N 0 0 313.283 2.146 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)C1 ZINC000632762528 406252496 /nfs/dbraw/zinc/25/24/96/406252496.db2.gz FBMATCMDWIRERN-OAHLLOKOSA-N 0 0 316.376 2.399 10 30 DEEERN C=CCN(CC=C)C(=O)NCc1c(C(F)(F)F)cnn1C ZINC000637342272 406268026 /nfs/dbraw/zinc/26/80/26/406268026.db2.gz QCEVSAZVNWDEOM-UHFFFAOYSA-N 0 0 302.300 2.323 10 30 DEEERN C=C(C)CN(Cc1ccccc1)C(=O)CC1CS(=O)(=O)C1 ZINC000632804081 406269421 /nfs/dbraw/zinc/26/94/21/406269421.db2.gz QBAOAQKXJSIQCQ-UHFFFAOYSA-N 0 0 307.415 2.026 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCCNC(=O)c1ccco1 ZINC000632859969 406295283 /nfs/dbraw/zinc/29/52/83/406295283.db2.gz JGVGTVKMFJREKR-UHFFFAOYSA-N 0 0 307.394 2.301 10 30 DEEERN C=CCn1c(S[C@H]2CCCNC2=O)nnc1-c1ccoc1C ZINC000488025425 406286145 /nfs/dbraw/zinc/28/61/45/406286145.db2.gz LZTOUYQUVMFOOV-LBPRGKRZSA-N 0 0 318.402 2.403 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2Cc3ccc(Cl)cc32)C1=O ZINC000632845714 406288130 /nfs/dbraw/zinc/28/81/30/406288130.db2.gz QGHOHXBRHRDEFZ-HUUCEWRRSA-N 0 0 318.804 2.225 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000637439235 406308651 /nfs/dbraw/zinc/30/86/51/406308651.db2.gz FDSQZXMTKFJGSL-DZGCQCFKSA-N 0 0 306.793 2.401 10 30 DEEERN C=CCCCN(C)S(=O)(=O)CC1(C(=O)OC)CCCCC1 ZINC000489443347 406406826 /nfs/dbraw/zinc/40/68/26/406406826.db2.gz IABXOAQPBGJKOD-UHFFFAOYSA-N 0 0 317.451 2.338 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1c2ccccc2N(C)C(=O)C1(C)C ZINC000637753416 406412647 /nfs/dbraw/zinc/41/26/47/406412647.db2.gz NMUFMUHPDXMNCN-DOMZBBRYSA-N 0 0 314.385 2.366 10 30 DEEERN C=CCCCS(=O)(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000489814166 406431996 /nfs/dbraw/zinc/43/19/96/406431996.db2.gz UFQDWDMDARADLM-AWEZNQCLSA-N 0 0 311.451 2.207 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cn(C)nc1CC ZINC000635260328 406479292 /nfs/dbraw/zinc/47/92/92/406479292.db2.gz MMCBEIPKLJOOKN-UHFFFAOYSA-N 0 0 306.410 2.030 10 30 DEEERN CCS(=O)(=O)Nc1ccc(Nc2ccncc2C#N)cc1 ZINC000547826508 406451287 /nfs/dbraw/zinc/45/12/87/406451287.db2.gz PPYVGTZFLVNPLA-UHFFFAOYSA-N 0 0 302.359 2.458 10 30 DEEERN Cc1nc(C#N)c(N2CCC(C(=O)NCCCC3CC3)CC2)o1 ZINC000526998556 406567629 /nfs/dbraw/zinc/56/76/29/406567629.db2.gz NXOXWWGFHZZEKG-UHFFFAOYSA-N 0 0 316.405 2.378 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)COc1cccc2cccnc21 ZINC000571910286 406582472 /nfs/dbraw/zinc/58/24/72/406582472.db2.gz OKBHZEPOJFANQZ-GJZGRUSLSA-N 0 0 312.369 2.321 10 30 DEEERN N#Cc1ccnc(NC(=O)CCCn2c(=O)oc3ccccc32)c1 ZINC000572681584 406716343 /nfs/dbraw/zinc/71/63/43/406716343.db2.gz GKZNIYRMFPCYSA-UHFFFAOYSA-N 0 0 322.324 2.280 10 30 DEEERN C=CCn1cc(CNC(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)nn1 ZINC000574195540 406780652 /nfs/dbraw/zinc/78/06/52/406780652.db2.gz XKEHLVQIOOQPIP-XJKSGUPXSA-N 0 0 303.410 2.186 10 30 DEEERN COc1ccc([C@@]2(C)N(O)[C@H](C)C(c3cccs3)=[N+]2[O-])cc1 ZINC000575346905 406807117 /nfs/dbraw/zinc/80/71/17/406807117.db2.gz IRQQBVBWVZGYEK-ZSDUCOJNSA-N 0 0 319.406 2.319 10 30 DEEERN CCOC(=O)Cc1cc(C#N)cc(Br)c1[N+](=O)[O-] ZINC000575383391 406807844 /nfs/dbraw/zinc/80/78/44/406807844.db2.gz FEHWCNAGMOLLQS-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(OC2CCC2)CC1 ZINC000577505800 406839672 /nfs/dbraw/zinc/83/96/72/406839672.db2.gz LUWOURSHOHPQQQ-BBRMVZONSA-N 0 0 308.422 2.321 10 30 DEEERN CC[C@@H](COC)NC(=O)c1ccc(C#CCCO)c(Cl)c1 ZINC000128925606 196004795 /nfs/dbraw/zinc/00/47/95/196004795.db2.gz DELMHIWQVOOAOR-AWEZNQCLSA-N 0 0 309.793 2.229 10 30 DEEERN C=C[C@@H](CC(=O)N1C[C@@H](C)O[C@H](C(=O)OC)C1)c1ccccc1 ZINC000128949227 196006287 /nfs/dbraw/zinc/00/62/87/196006287.db2.gz ADTWFNZLEBPVQL-YCPHGPKFSA-N 0 0 317.385 2.135 10 30 DEEERN O=C(Nc1ccc(F)cn1)c1ccc(C#CCO)c(Cl)c1 ZINC000128946731 196006732 /nfs/dbraw/zinc/00/67/32/196006732.db2.gz VWKYSYZMIWGJRH-UHFFFAOYSA-N 0 0 304.708 2.470 10 30 DEEERN CNc1ccc(S(=O)(=O)N(C)c2ccccc2C#N)cc1 ZINC000129039324 196013858 /nfs/dbraw/zinc/01/38/58/196013858.db2.gz PRVQDEDRYJRFLG-UHFFFAOYSA-N 0 0 301.371 2.425 10 30 DEEERN C#CC[C@H](C)NS(=O)(=O)c1c(Cl)cc(N)cc1Cl ZINC000129210150 196029762 /nfs/dbraw/zinc/02/97/62/196029762.db2.gz DQBIUFRNLXXZTC-ZETCQYMHSA-N 0 0 307.202 2.266 10 30 DEEERN C=CCCCN(C)C(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000129251276 196032552 /nfs/dbraw/zinc/03/25/52/196032552.db2.gz TXRZSIPPKSDXLD-UHFFFAOYSA-N 0 0 316.810 2.026 10 30 DEEERN C=C(C)CN(CC)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000129855677 196080861 /nfs/dbraw/zinc/08/08/61/196080861.db2.gz UTPKDEPCJFRFEK-UHFFFAOYSA-N 0 0 302.327 2.321 10 30 DEEERN Cc1ccc(C#N)cc1NS(=O)(=O)c1ccc(N)c(F)c1 ZINC000131002204 196131064 /nfs/dbraw/zinc/13/10/64/196131064.db2.gz XIGBNOXZBOQPKA-UHFFFAOYSA-N 0 0 305.334 2.389 10 30 DEEERN N#Cc1cc(Br)ccc1NCCC(=O)NC1CC1 ZINC000132343555 196247056 /nfs/dbraw/zinc/24/70/56/196247056.db2.gz PURPJXJXHBXAJV-UHFFFAOYSA-N 0 0 308.179 2.401 10 30 DEEERN Cc1nnc(CNc2ccc(Br)cc2C#N)n1C ZINC000132410701 196253728 /nfs/dbraw/zinc/25/37/28/196253728.db2.gz KKMVTDATZGIBBB-UHFFFAOYSA-N 0 0 306.167 2.370 10 30 DEEERN N#Cc1ccnc(NCC[C@@H]2C(=O)Nc3ccccc32)c1[N+](=O)[O-] ZINC000132599277 196270193 /nfs/dbraw/zinc/27/01/93/196270193.db2.gz YVOORSAQYJVBLM-LBPRGKRZSA-N 0 0 323.312 2.399 10 30 DEEERN N#CCN(CC#N)c1ccnc2cc(Br)cnc21 ZINC000135539519 196485618 /nfs/dbraw/zinc/48/56/18/196485618.db2.gz CYHRKYNDTCSJFM-UHFFFAOYSA-N 0 0 302.135 2.246 10 30 DEEERN CN(c1cccc(S(C)(=O)=O)c1N)c1ccccc1C#N ZINC000137912409 196581011 /nfs/dbraw/zinc/58/10/11/196581011.db2.gz HINHQGSYGJTZQJ-UHFFFAOYSA-N 0 0 301.371 2.312 10 30 DEEERN N#Cc1cc(S(=O)(=O)N[C@H]2CCCOCC2)ccc1Cl ZINC000183391691 224923348 /nfs/dbraw/zinc/92/33/48/224923348.db2.gz YGULWGPQIGNOJV-NSHDSACASA-N 0 0 314.794 2.059 10 30 DEEERN Cn1cnnc1[C@@H]1CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180574094 224897120 /nfs/dbraw/zinc/89/71/20/224897120.db2.gz BFEYTZGUSDCYBI-HNNXBMFYSA-N 0 0 321.384 2.348 10 30 DEEERN C[C@@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccc2c(c1)OCO2 ZINC000188244895 225014660 /nfs/dbraw/zinc/01/46/60/225014660.db2.gz RTZWDWIKBWMDJY-SNVBAGLBSA-N 0 0 310.309 2.484 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1nc(-c2cccs2)nn1C ZINC000193214276 225153580 /nfs/dbraw/zinc/15/35/80/225153580.db2.gz VQLDPJFHUNSGBZ-UHFFFAOYSA-N 0 0 312.358 2.006 10 30 DEEERN N#Cc1cccc(N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1 ZINC000265476583 225332778 /nfs/dbraw/zinc/33/27/78/225332778.db2.gz FMZNYBMPIANGDF-QGZVFWFLSA-N 0 0 303.369 2.168 10 30 DEEERN O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)N1CC(O)(C2CC2)C1 ZINC000329368184 225870551 /nfs/dbraw/zinc/87/05/51/225870551.db2.gz HUQHRYUMXYADLV-NNUKFRKNSA-N 0 0 304.365 2.442 10 30 DEEERN N#CCCCCNC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000361130213 226857723 /nfs/dbraw/zinc/85/77/23/226857723.db2.gz UHOGMPAENMVJAE-CYBMUJFWSA-N 0 0 303.362 2.210 10 30 DEEERN C[C@@H]1CCC[C@@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000369219649 227026730 /nfs/dbraw/zinc/02/67/30/227026730.db2.gz PFJZVCQERYBNOY-FMKPAKJESA-N 0 0 304.438 2.194 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cccc(OC(F)F)c2)CCN1C1CC1 ZINC000370971096 227060491 /nfs/dbraw/zinc/06/04/91/227060491.db2.gz BFZZHHFOJDHLIX-CYBMUJFWSA-N 0 0 321.327 2.100 10 30 DEEERN N#C[C@@H]1CN(C(=O)Cc2cccc(Cl)c2)CCN1C1CC1 ZINC000370972579 227062075 /nfs/dbraw/zinc/06/20/75/227062075.db2.gz KREXOTVZZCWSOR-OAHLLOKOSA-N 0 0 303.793 2.081 10 30 DEEERN CSc1ccsc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000370984055 227062229 /nfs/dbraw/zinc/06/22/29/227062229.db2.gz DRNRVEHZMWAMPF-LLVKDONJSA-N 0 0 307.444 2.282 10 30 DEEERN Cc1ccc(CN2CCN(C3CC3)[C@H](C#N)C2)cc1[N+](=O)[O-] ZINC000371335882 227068545 /nfs/dbraw/zinc/06/85/45/227068545.db2.gz MIWCZBUIGHYGKY-OAHLLOKOSA-N 0 0 300.362 2.075 10 30 DEEERN CCOc1cc(CN2CCN(C3CC3)[C@H](C#N)C2)ccc1OC ZINC000371336492 227068733 /nfs/dbraw/zinc/06/87/33/227068733.db2.gz POPALIOVXNVCTA-MRXNPFEDSA-N 0 0 315.417 2.266 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2coc(-c3ccccc3)n2)CCN1C1CC1 ZINC000371708960 227077067 /nfs/dbraw/zinc/07/70/67/227077067.db2.gz JYSUUABZXYXFPJ-OAHLLOKOSA-N 0 0 322.368 2.154 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000290555754 221741604 /nfs/dbraw/zinc/74/16/04/221741604.db2.gz SAWFMSIZSHBFNR-GFCCVEGCSA-N 0 0 302.365 2.353 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@H]1CCN(c2ccccc2F)C1 ZINC000291295358 222294018 /nfs/dbraw/zinc/29/40/18/222294018.db2.gz QLUBYAANXUWTCV-OAHLLOKOSA-N 0 0 312.388 2.431 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1nnc(-c2ccsc2)s1 ZINC000184552901 335081037 /nfs/dbraw/zinc/08/10/37/335081037.db2.gz AAAJZCIWRWRWTM-VIFPVBQESA-N 0 0 310.404 2.325 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000408340647 227232942 /nfs/dbraw/zinc/23/29/42/227232942.db2.gz OWYMGQLSJXDXRF-WRWORJQWSA-N 0 0 304.293 2.074 10 30 DEEERN Cc1ccc(NC[C@@H](O)COc2ccc(F)cc2)nc1C#N ZINC000302610354 230318328 /nfs/dbraw/zinc/31/83/28/230318328.db2.gz DUGAKKJAPYAZGT-CYBMUJFWSA-N 0 0 301.321 2.253 10 30 DEEERN C=CCOc1cccnc1C(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000527209474 421365954 /nfs/dbraw/zinc/36/59/54/421365954.db2.gz JIAMTBOCFJOVAJ-GFCCVEGCSA-N 0 0 314.345 2.473 10 30 DEEERN C[C@@H](C(=O)Nc1cc(C2CCCCC2)[nH]n1)n1cnc(C#N)n1 ZINC000619613962 422529890 /nfs/dbraw/zinc/52/98/90/422529890.db2.gz AEHAPXOGCMUPKN-JTQLQIEISA-N 0 0 313.365 2.120 10 30 DEEERN C=CCCCCNC(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000369931859 424877050 /nfs/dbraw/zinc/87/70/50/424877050.db2.gz ZVGWOVGMSZWTTO-UHFFFAOYSA-N 0 0 306.395 2.714 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1nn2c(C)nnc2c2ccccc21 ZINC000568622528 424919650 /nfs/dbraw/zinc/91/96/50/424919650.db2.gz OCELIIVVQTVZLA-WFASDCNBSA-N 0 0 309.373 2.589 10 30 DEEERN CCSc1nnc(NC(=O)N2CCC(C)(C#N)CC2)s1 ZINC000408160483 424933527 /nfs/dbraw/zinc/93/35/27/424933527.db2.gz VWDCAJSWVHMXME-UHFFFAOYSA-N 0 0 311.436 2.808 10 30 DEEERN C=CCC1(C(=O)Nc2ccn(C(C)(C)C(=O)OC)n2)CCCC1 ZINC000598259448 425037242 /nfs/dbraw/zinc/03/72/42/425037242.db2.gz KZJUROHQTCVBAU-UHFFFAOYSA-N 0 0 319.405 2.866 10 30 DEEERN C=CCOc1ccc(CNc2nnc(-c3nccn3C)o2)cc1 ZINC000351473416 425037862 /nfs/dbraw/zinc/03/78/62/425037862.db2.gz UAKQUUGHMCSFME-UHFFFAOYSA-N 0 0 311.345 2.647 10 30 DEEERN N#Cc1cccc(CC(=O)NCCc2nc3ccccc3[nH]2)c1 ZINC000531396647 268275750 /nfs/dbraw/zinc/27/57/50/268275750.db2.gz OFVSVACBBGEQOE-UHFFFAOYSA-N 0 0 304.353 2.336 10 30 DEEERN N#Cc1ccsc1C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000532245905 268305881 /nfs/dbraw/zinc/30/58/81/268305881.db2.gz CWNDCHFBUUYRSD-LBPRGKRZSA-N 0 0 317.414 2.283 10 30 DEEERN Cn1cc(Br)c(CNCc2cc(C#N)cs2)n1 ZINC000393351426 269100310 /nfs/dbraw/zinc/10/03/10/269100310.db2.gz VZMILNQSRUXXCM-UHFFFAOYSA-N 0 0 311.208 2.406 10 30 DEEERN C[C@@H]1CN(c2cc(Cl)ccc2C#N)C[C@@H]1N1CCOCC1 ZINC000267508908 274361568 /nfs/dbraw/zinc/36/15/68/274361568.db2.gz BBAIOCZPPKTMIV-WBMJQRKESA-N 0 0 305.809 2.369 10 30 DEEERN C[C@@H]1CC[S@](=O)CCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000407953833 287813940 /nfs/dbraw/zinc/81/39/40/287813940.db2.gz MTFMSNXWLTUNHJ-BTKVJGODSA-N 0 0 317.336 2.319 10 30 DEEERN C#CCCCCNC(=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000268284829 277672259 /nfs/dbraw/zinc/67/22/59/277672259.db2.gz KZEUXJAZAQLNBH-OAHLLOKOSA-N 0 0 316.426 2.121 10 30 DEEERN C=C(C)[C@H](CC(=O)N1C[C@@H](CC)O[C@@]2(CCOC2)C1)OCC ZINC000358202622 277798756 /nfs/dbraw/zinc/79/87/56/277798756.db2.gz CEJRWVCKWUXYMZ-VYDXJSESSA-N 0 0 311.422 2.154 10 30 DEEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC(C)(C#N)CC1 ZINC000356971386 278377133 /nfs/dbraw/zinc/37/71/33/278377133.db2.gz JWGVAFJSEGXUKA-QGZVFWFLSA-N 0 0 319.405 2.400 10 30 DEEERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C#Cc1ccccc1 ZINC000124404873 280672917 /nfs/dbraw/zinc/67/29/17/280672917.db2.gz JOZWQOSMXPLTSC-HNNXBMFYSA-N 0 0 308.385 2.404 10 30 DEEERN COc1cc(C#N)ccc1OCC(=O)NCCc1ccsc1 ZINC000047450164 281454016 /nfs/dbraw/zinc/45/40/16/281454016.db2.gz AGQZNFPDJPJDNA-UHFFFAOYSA-N 0 0 316.382 2.366 10 30 DEEERN N#CC1(c2ccc(C(=O)N3C[C@H]4CCC[C@@H](C3)C4O)cc2)CC1 ZINC000180436470 294797785 /nfs/dbraw/zinc/79/77/85/294797785.db2.gz OTXUTFKPCYDHNL-FKEKPDDDSA-N 0 0 310.397 2.475 10 30 DEEERN O=C(N[C@H]1COC[C@H]1n1ccnn1)C1C2CC3CC(C2)CC1C3 ZINC000329202899 295388097 /nfs/dbraw/zinc/38/80/97/295388097.db2.gz WCVKWGPKYAVWSJ-KWKJMZLKSA-N 0 0 316.405 2.247 10 30 DEEERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NC1(C#N)CCSCC1 ZINC000162538080 297829513 /nfs/dbraw/zinc/82/95/13/297829513.db2.gz BKBNEWRJKDBBMN-BXUZGUMPSA-N 0 0 302.399 2.457 10 30 DEEERN N#CC1(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CCCC1 ZINC000097076108 303146337 /nfs/dbraw/zinc/14/63/37/303146337.db2.gz DTPNYMVNSDJGSS-LBPRGKRZSA-N 0 0 301.321 2.204 10 30 DEEERN COC(=O)C[C@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccccc1 ZINC000188235687 533707052 /nfs/dbraw/zinc/70/70/52/533707052.db2.gz FFIKMCOBLCPRCR-HNNXBMFYSA-N 0 0 324.336 2.298 10 30 DEEERN Cc1cnn(Cc2cc(C(=O)NCc3cccc(C#N)c3)no2)c1 ZINC000162897159 325702450 /nfs/dbraw/zinc/70/24/50/325702450.db2.gz QGOKEPUHNBGKJB-UHFFFAOYSA-N 0 0 321.340 2.030 10 30 DEEERN Cn1nccc1N1CCC[C@H](Nc2ccc(F)cc2C#N)C1=O ZINC000573774129 326089492 /nfs/dbraw/zinc/08/94/92/326089492.db2.gz FUHXEVOZEXAXLG-AWEZNQCLSA-N 0 0 313.336 2.038 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000561184839 332421953 /nfs/dbraw/zinc/42/19/53/332421953.db2.gz ZOXILVHZFIJEKN-CABZTGNLSA-N 0 0 322.352 2.017 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@]2(CCOC2)C1 ZINC000562870452 332634517 /nfs/dbraw/zinc/63/45/17/332634517.db2.gz ANHVLNSYRAKZEH-ZOBUZTSGSA-N 0 0 308.422 2.180 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnc(-c2ccccc2)nc1 ZINC000562997873 333026613 /nfs/dbraw/zinc/02/66/13/333026613.db2.gz SUFONOVRFRLYGU-HOCLYGCPSA-N 0 0 309.369 2.465 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCOC2(CCC2)C1 ZINC000563023221 333066694 /nfs/dbraw/zinc/06/66/94/333066694.db2.gz SAGSPFINAKNUKB-ILXRZTDVSA-N 0 0 308.422 2.226 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCOC2(CCC2)C1 ZINC000563023222 333066824 /nfs/dbraw/zinc/06/68/24/333066824.db2.gz SAGSPFINAKNUKB-KKUMJFAQSA-N 0 0 308.422 2.226 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCO[C@@H](C#N)C1 ZINC000521226418 333110828 /nfs/dbraw/zinc/11/08/28/333110828.db2.gz QRZUISCLHFWPNS-QWHCGFSZSA-N 0 0 319.434 2.151 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NS(=O)(=O)[C@H]1CCO[C@H](C)C1 ZINC000295959525 335138702 /nfs/dbraw/zinc/13/87/02/335138702.db2.gz JVLJDQSTGRRQSA-OIISXLGYSA-N 0 0 321.442 2.108 10 30 DEEERN C=CC[C@@H](CC)NC(=O)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000343766240 335191498 /nfs/dbraw/zinc/19/14/98/335191498.db2.gz DOIHYPFHQBFTJK-CQSZACIVSA-N 0 0 324.446 2.134 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)N[C@@H](CC2CCCCC2)C1=O ZINC000584345956 335651600 /nfs/dbraw/zinc/65/16/00/335651600.db2.gz LIXCPHKMLDOVAQ-KKUMJFAQSA-N 0 0 306.406 2.468 10 30 DEEERN C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC000519248564 335822926 /nfs/dbraw/zinc/82/29/26/335822926.db2.gz LWRWFAVTVKZYEU-KBPBESRZSA-N 0 0 320.437 2.362 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000563953400 336388747 /nfs/dbraw/zinc/38/87/47/336388747.db2.gz KEPLTXDLTNOPMI-BTFPBAQTSA-N 0 0 308.422 2.080 10 30 DEEERN C=C[C@@](C)(O)CC(=O)NCCc1cn(C)c2cc(C)ccc12 ZINC000356004597 336531843 /nfs/dbraw/zinc/53/18/43/336531843.db2.gz GSRSGHIPAHCUAY-GOSISDBHSA-N 0 0 300.402 2.473 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N(C)c1ncc(C(=O)OC)s1 ZINC000356008287 336531992 /nfs/dbraw/zinc/53/19/92/336531992.db2.gz WZJXPAXGBYAZNG-AWEZNQCLSA-N 0 0 312.391 2.121 10 30 DEEERN C=CCN(CCOC)C(=O)c1ccnc(N2CC[C@@H](C)C2)c1 ZINC000361076785 336737498 /nfs/dbraw/zinc/73/74/98/336737498.db2.gz SHHDHQOAFDOHCM-CQSZACIVSA-N 0 0 303.406 2.202 10 30 DEEERN C#CCCCCC(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000362322840 336792245 /nfs/dbraw/zinc/79/22/45/336792245.db2.gz YEWOYLGUUIKPLO-UHFFFAOYSA-N 0 0 300.406 2.124 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2CCCc3nn(C)cc32)CCOCC1 ZINC000583807843 337335630 /nfs/dbraw/zinc/33/56/30/337335630.db2.gz DGVAWYICRNJOGT-CQSZACIVSA-N 0 0 303.406 2.287 10 30 DEEERN C=CCOc1ccc(CN2CC[C@H](CS(C)(=O)=O)C2)cc1 ZINC000430201069 338101114 /nfs/dbraw/zinc/10/11/14/338101114.db2.gz IWAHNLJDVMMPTI-HNNXBMFYSA-N 0 0 309.431 2.118 10 30 DEEERN C=CCOc1ccccc1CN1CC[C@H](CS(C)(=O)=O)C1 ZINC000430222918 338101983 /nfs/dbraw/zinc/10/19/83/338101983.db2.gz GXJKFKMJJMMINC-AWEZNQCLSA-N 0 0 309.431 2.118 10 30 DEEERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NCCCCC#N)C1 ZINC000173134944 340358964 /nfs/dbraw/zinc/35/89/64/340358964.db2.gz SLRCGQLVAXROSV-STQMWFEESA-N 0 0 309.410 2.490 10 30 DEEERN C=CCn1cc(CNC(=O)N[C@@H]2CCc3c2cccc3F)nn1 ZINC000521034674 340479307 /nfs/dbraw/zinc/47/93/07/340479307.db2.gz CPJKDSKMTSXNOM-OAHLLOKOSA-N 0 0 315.352 2.090 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)C2(C)CCC(F)(F)CC2)C1=O ZINC000529257666 340750915 /nfs/dbraw/zinc/75/09/15/340750915.db2.gz SXCPNQUNQBLRNG-GFCCVEGCSA-N 0 0 314.376 2.447 10 30 DEEERN C=CCn1c(CC)nnc1N1CCC(Cn2cccn2)CC1 ZINC000548945215 341281946 /nfs/dbraw/zinc/28/19/46/341281946.db2.gz KRMFQXACOUIGEU-UHFFFAOYSA-N 0 0 300.410 2.140 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000548951773 341282270 /nfs/dbraw/zinc/28/22/70/341282270.db2.gz PEOZZFCFHJRSSJ-CQSZACIVSA-N 0 0 317.437 2.083 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)c1nc(C)c(C)[nH]c1=O ZINC000154778113 341595818 /nfs/dbraw/zinc/59/58/18/341595818.db2.gz CUFCCBTWQRQCBL-UHFFFAOYSA-N 0 0 315.348 2.354 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000568357779 341667910 /nfs/dbraw/zinc/66/79/10/341667910.db2.gz KTPSELYZXCQJJD-SRMUXQRQSA-N 0 0 314.385 2.354 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000569234325 341695086 /nfs/dbraw/zinc/69/50/86/341695086.db2.gz WZQKJGGXGFCERP-MJBXVCDLSA-N 0 0 304.394 2.237 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000575248795 341790148 /nfs/dbraw/zinc/79/01/48/341790148.db2.gz USJWLUJTTLJQTP-BONVTDFDSA-N 0 0 316.332 2.400 10 30 DEEERN C=CCCCCCNC(=O)N1C[C@@H](CC)S(=O)(=O)[C@@H](C)C1 ZINC000576001000 341819403 /nfs/dbraw/zinc/81/94/03/341819403.db2.gz REJXOUBLAITJAK-UONOGXRCSA-N 0 0 316.467 2.340 10 30 DEEERN C=CCn1c(-c2cccnc2)nnc1N1CC[C@H](OC(F)F)C1 ZINC000577147383 341890468 /nfs/dbraw/zinc/89/04/68/341890468.db2.gz IIRYXKBJYBOSDF-LBPRGKRZSA-N 0 0 321.331 2.344 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000288540557 500571373 /nfs/dbraw/zinc/57/13/73/500571373.db2.gz UPIQYLCCDXTQSK-HNNXBMFYSA-N 0 0 307.752 2.292 10 30 DEEERN C[C@@H](COCc1ccccc1)NC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000329769315 534153694 /nfs/dbraw/zinc/15/36/94/534153694.db2.gz HQCLKLSUKZAHRP-CWRNSKLLSA-N 0 0 304.390 2.369 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccnc(OC(F)F)c1 ZINC000451394505 517318920 /nfs/dbraw/zinc/31/89/20/517318920.db2.gz SJAIODLEMKYWSW-DGCLKSJQSA-N 0 0 312.316 2.394 10 30 DEEERN C=CCn1c(COCC)nnc1N1CCC[C@@H](COC)CC1 ZINC000453441981 534439663 /nfs/dbraw/zinc/43/96/63/534439663.db2.gz LQUVBVULNKQJAQ-CQSZACIVSA-N 0 0 308.426 2.254 10 30 DEEERN Cc1nc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(Cl)cc1C#N ZINC000292354431 534450093 /nfs/dbraw/zinc/45/00/93/534450093.db2.gz CFYYZJHULPCHMA-NHYWBVRUSA-N 0 0 320.824 2.072 10 30 DEEERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)C1(C#N)CCOCC1 ZINC000264549002 534460085 /nfs/dbraw/zinc/46/00/85/534460085.db2.gz WJYPGUJVXFIYSQ-CQSZACIVSA-N 0 0 300.358 2.174 10 30 DEEERN C=CCC(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000453769561 534542998 /nfs/dbraw/zinc/54/29/98/534542998.db2.gz WCGUESNIOWKAMZ-UHFFFAOYSA-N 0 0 314.385 2.473 10 30 DEEERN N#CC1CCC(CNC(=O)NCCOCC(F)(F)F)CC1 ZINC000440995051 534580481 /nfs/dbraw/zinc/58/04/81/534580481.db2.gz YLRFKIKXNRMNRN-UHFFFAOYSA-N 0 0 307.316 2.194 10 30 DEEERN N#CCCCOc1cccnc1NC(=O)N[C@@H]1CCCOC1 ZINC000188785424 534617510 /nfs/dbraw/zinc/61/75/10/534617510.db2.gz RCFINAOGWVUMLF-GFCCVEGCSA-N 0 0 304.350 2.065 10 30 DEEERN N#CCCCS(=O)(=O)NCc1nc2ccccc2n1C1CC1 ZINC000185120813 534625943 /nfs/dbraw/zinc/62/59/43/534625943.db2.gz RFGIVDJYJUBLAD-UHFFFAOYSA-N 0 0 318.402 2.094 10 30 DEEERN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2cccnc2C#N)C1 ZINC000377988178 534679125 /nfs/dbraw/zinc/67/91/25/534679125.db2.gz OHLOZGRBSNXUOG-LBPRGKRZSA-N 0 0 310.361 2.019 10 30 DEEERN O=C(NCc1noc2c1CCCC2)N1CCO[C@H](C2CC2)C1 ZINC000329715058 534759156 /nfs/dbraw/zinc/75/91/56/534759156.db2.gz UJJIMYSEEQOIES-HNNXBMFYSA-N 0 0 305.378 2.078 10 30 DEEERN Cc1ccc(CNc2cnc(C#N)cn2)c(O[C@H]2CCOC2)c1 ZINC000127018483 524618975 /nfs/dbraw/zinc/61/89/75/524618975.db2.gz WINHZYCLRULNBO-HNNXBMFYSA-N 0 0 310.357 2.437 10 30 DEEERN Cc1csc(N2CCC(C(=O)N[C@@H]3CCC[C@@H]3C#N)CC2)n1 ZINC000408333632 534825762 /nfs/dbraw/zinc/82/57/62/534825762.db2.gz GQFVTKXOUNNUEA-ZIAGYGMSSA-N 0 0 318.446 2.476 10 30 DEEERN C=CCN(CCOC)C(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000191964054 526295731 /nfs/dbraw/zinc/29/57/31/526295731.db2.gz DILBCAICSYYXHX-UHFFFAOYSA-N 0 0 303.337 2.490 10 30 DEEERN CC#CCN(C)C(=O)CCC(=O)c1ccc(OC)c(OC)c1 ZINC000341013828 526346038 /nfs/dbraw/zinc/34/60/38/526346038.db2.gz DICPZXKXRMMENK-UHFFFAOYSA-N 0 0 303.358 2.148 10 30 DEEERN CC#CCN(C)C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000297091402 526349440 /nfs/dbraw/zinc/34/94/40/526349440.db2.gz DSCCIWKYVXNSHH-OAHLLOKOSA-N 0 0 315.417 2.329 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)N[C@@H](CCOC)COC ZINC000360683066 526354774 /nfs/dbraw/zinc/35/47/74/526354774.db2.gz OGMRRLCHPUWPQZ-INIZCTEOSA-N 0 0 306.406 2.436 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)c1cc(=O)[nH]c(N(C)C)n1 ZINC000338721302 526375614 /nfs/dbraw/zinc/37/56/14/526375614.db2.gz PRMMBOPXMQAZPV-UHFFFAOYSA-N 0 0 318.402 2.138 10 30 DEEERN C=CCN1CC[C@@H](N2CCC[C@]3(C2)OCc2ccccc23)C1=O ZINC000337204322 526480358 /nfs/dbraw/zinc/48/03/58/526480358.db2.gz IUTONQQLVROSHX-IEBWSBKVSA-N 0 0 312.413 2.295 10 30 DEEERN C=CCN1CC[C@H](N2CC(c3nc4ccccc4s3)C2)C1=O ZINC000337175875 526504707 /nfs/dbraw/zinc/50/47/07/526504707.db2.gz ILTNSMFCJQEPSA-AWEZNQCLSA-N 0 0 313.426 2.482 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)NCCc1cc(F)ccc1F ZINC000347564400 526511262 /nfs/dbraw/zinc/51/12/62/526511262.db2.gz QRLJKJRBEUFOIH-UHFFFAOYSA-N 0 0 310.344 2.048 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCOC[C@H]2C)cc1 ZINC000194095983 526651476 /nfs/dbraw/zinc/65/14/76/526651476.db2.gz JDCPAZNHFQYVSF-IUODEOHRSA-N 0 0 302.374 2.214 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000191700338 526660672 /nfs/dbraw/zinc/66/06/72/526660672.db2.gz QEIYCDOMXKRWGV-OLZOCXBDSA-N 0 0 302.374 2.356 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000377211181 526672151 /nfs/dbraw/zinc/67/21/51/526672151.db2.gz CKXFQTWUSWOXLR-HXUWFJFHSA-N 0 0 309.409 2.202 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000287609528 526672613 /nfs/dbraw/zinc/67/26/13/526672613.db2.gz MDXRKMVXOUSHLX-UHFFFAOYSA-N 0 0 300.305 2.441 10 30 DEEERN C#CCCCC(=O)N1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000374970500 526679639 /nfs/dbraw/zinc/67/96/39/526679639.db2.gz ZIQRKSHMHXXYER-AWEZNQCLSA-N 0 0 302.374 2.052 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2ccncc2)C1 ZINC000372012144 526702031 /nfs/dbraw/zinc/70/20/31/526702031.db2.gz VWLSBZQMODCVBD-HIFRSBDPSA-N 0 0 301.390 2.015 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CC[S@](=O)C[C@H]1c1cnn(CC)c1 ZINC000331117195 526708489 /nfs/dbraw/zinc/70/84/89/526708489.db2.gz DZZJQBFHGXLXIR-XUHFEKCNSA-N 0 0 323.462 2.137 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC000370611603 526731713 /nfs/dbraw/zinc/73/17/13/526731713.db2.gz BXBBVXURVCYXDB-UHFFFAOYSA-N 0 0 311.341 2.036 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)C[C@H](C)CC ZINC000283254498 526737173 /nfs/dbraw/zinc/73/71/73/526737173.db2.gz LSSRSJAQGWZNCL-KGLIPLIRSA-N 0 0 308.426 2.424 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCc1cc(OC)c(O)c(OC)c1)OCC ZINC000339514241 526749445 /nfs/dbraw/zinc/74/94/45/526749445.db2.gz JHFDAZNOMCEXPI-CYBMUJFWSA-N 0 0 323.389 2.397 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CCC(C)(C)CC1 ZINC000352315918 526767689 /nfs/dbraw/zinc/76/76/89/526767689.db2.gz QKVJFFRZCPONLX-HIFRSBDPSA-N 0 0 322.449 2.169 10 30 DEEERN C=CCOCCNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000371674328 526776227 /nfs/dbraw/zinc/77/62/27/526776227.db2.gz FRYRDDWMKNOSJO-KGLIPLIRSA-N 0 0 308.378 2.080 10 30 DEEERN C=CCOCCNC(=O)N[C@H]1CCCc2cnn(C(C)C)c21 ZINC000373338591 526779237 /nfs/dbraw/zinc/77/92/37/526779237.db2.gz FUYUBQYEOQSZCW-AWEZNQCLSA-N 0 0 306.410 2.343 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCCc1nccs1 ZINC000292570103 526797704 /nfs/dbraw/zinc/79/77/04/526797704.db2.gz RMADNJOGRAZHTR-JSGCOSHPSA-N 0 0 309.435 2.356 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCCC[C@H]1CN1CCOCC1)OCC ZINC000339370153 526806697 /nfs/dbraw/zinc/80/66/97/526806697.db2.gz PAXGJPLFOKKLGJ-IRXDYDNUSA-N 0 0 324.465 2.071 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C)OCC ZINC000339359697 526814438 /nfs/dbraw/zinc/81/44/38/526814438.db2.gz JTAPQYKBVSEKNJ-LRDDRELGSA-N 0 0 307.438 2.455 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@H](c2nc(C)no2)C1 ZINC000330273006 526839176 /nfs/dbraw/zinc/83/91/76/526839176.db2.gz YNVUMKYXLIFZKP-BFHYXJOUSA-N 0 0 305.378 2.065 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1OCCc2ccccc21 ZINC000377472315 526841781 /nfs/dbraw/zinc/84/17/81/526841781.db2.gz YSXGBJKKBBKSHV-BRWVUGGUSA-N 0 0 301.386 2.398 10 30 DEEERN C=CCOc1ccc(C(=O)NCC2(CCO)CC2)cc1OC ZINC000187931948 526844727 /nfs/dbraw/zinc/84/47/27/526844727.db2.gz LPEHOJNHOZBMRH-UHFFFAOYSA-N 0 0 305.374 2.152 10 30 DEEERN C=CCOc1ccc(CNC(=O)N2CCC[C@@H](O)[C@H]2C)cc1 ZINC000296613213 526876980 /nfs/dbraw/zinc/87/69/80/526876980.db2.gz MAINNQIIXFDFST-CZUORRHYSA-N 0 0 304.390 2.306 10 30 DEEERN C=C(Cl)CNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000369488620 526890705 /nfs/dbraw/zinc/89/07/05/526890705.db2.gz VRTWLRCJCNRICY-LBPRGKRZSA-N 0 0 312.822 2.150 10 30 DEEERN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000295787105 526948002 /nfs/dbraw/zinc/94/80/02/526948002.db2.gz UTTSKLPXJNDSHR-AWEZNQCLSA-N 0 0 304.365 2.255 10 30 DEEERN C=CCC(C)(C)CNC(=O)c1ccc(CN2CCOCC2)cn1 ZINC000352546627 527014797 /nfs/dbraw/zinc/01/47/97/527014797.db2.gz YCWREGBOVRRBIS-UHFFFAOYSA-N 0 0 317.433 2.246 10 30 DEEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000281552626 527035864 /nfs/dbraw/zinc/03/58/64/527035864.db2.gz VSOVPASTBPGIAI-GFCCVEGCSA-N 0 0 320.389 2.422 10 30 DEEERN C=CCC1(C(=O)N2CCCN(Cc3noc(C)n3)CC2)CCC1 ZINC000191560983 527041346 /nfs/dbraw/zinc/04/13/46/527041346.db2.gz TXKSKOOTPPHVJK-UHFFFAOYSA-N 0 0 318.421 2.159 10 30 DEEERN C#CCOCCC(=O)N1CCCN(c2ccc(C)cc2)CC1 ZINC000121499046 527064075 /nfs/dbraw/zinc/06/40/75/527064075.db2.gz UNJHSBHGXQVUOU-UHFFFAOYSA-N 0 0 300.402 2.074 10 30 DEEERN C=CC[C@@H](CO)NC(=O)COc1cccc(OCC(C)C)c1 ZINC000337079159 527088657 /nfs/dbraw/zinc/08/86/57/527088657.db2.gz UGNOANSGLMXIOT-AWEZNQCLSA-N 0 0 307.390 2.153 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N1CC2(C1)CCCOC2 ZINC000377600218 527089799 /nfs/dbraw/zinc/08/97/99/527089799.db2.gz WQXHOUJKKNERAC-UHFFFAOYSA-N 0 0 318.348 2.482 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000184137367 527095524 /nfs/dbraw/zinc/09/55/24/527095524.db2.gz SYUKDCJHIHZHQJ-HOCLYGCPSA-N 0 0 320.389 2.303 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C ZINC000337030129 527096800 /nfs/dbraw/zinc/09/68/00/527096800.db2.gz FMRSTJLZOXKYFF-IINYFYTJSA-N 0 0 314.788 2.135 10 30 DEEERN C=CCCCCNC(=O)C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000341425117 527141705 /nfs/dbraw/zinc/14/17/05/527141705.db2.gz NJAXHZSVKSPQMF-OAHLLOKOSA-N 0 0 301.390 2.121 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@](C)(O)CCC ZINC000288118947 527172659 /nfs/dbraw/zinc/17/26/59/527172659.db2.gz JXLNDXVZMCACSM-SJLPKXTDSA-N 0 0 302.418 2.471 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCn2cc(C)nc2C1 ZINC000377206412 527172886 /nfs/dbraw/zinc/17/28/86/527172886.db2.gz GWVJBIXWYJNKEJ-QGZVFWFLSA-N 0 0 322.412 2.351 10 30 DEEERN C#CC[C@H](NC(=O)N1CC(F)(F)C[C@H]1CO)c1ccccc1 ZINC000364644223 527174481 /nfs/dbraw/zinc/17/44/81/527174481.db2.gz ZCMLAHJCSAXJSI-KBPBESRZSA-N 0 0 308.328 2.163 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](C)c1ccc(OC)cc1 ZINC000284071903 527177544 /nfs/dbraw/zinc/17/75/44/527177544.db2.gz LBJPZBAYJAGJHH-ZDUSSCGKSA-N 0 0 304.390 2.297 10 30 DEEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000340189529 527192819 /nfs/dbraw/zinc/19/28/19/527192819.db2.gz QKUUIULBKPBGPU-QGZVFWFLSA-N 0 0 324.380 2.345 10 30 DEEERN C=CCCCN(C)c1ccc(S(=O)(=O)NCC2CC2)cn1 ZINC000078293715 527194244 /nfs/dbraw/zinc/19/42/44/527194244.db2.gz QIPCIWJELNHKBM-UHFFFAOYSA-N 0 0 309.435 2.172 10 30 DEEERN C=CCCCNC(=O)C(=O)NCc1ccc(C)cc1OCCC ZINC000360494906 527207212 /nfs/dbraw/zinc/20/72/12/527207212.db2.gz FARGAYBSPYDHNZ-UHFFFAOYSA-N 0 0 318.417 2.482 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)Cc1ccc2ccccc2c1 ZINC000349586042 527209618 /nfs/dbraw/zinc/20/96/18/527209618.db2.gz VJPPOJQCLAEAJZ-MRXNPFEDSA-N 0 0 305.399 2.196 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cc(C)nn1CCCCC ZINC000448378450 527209809 /nfs/dbraw/zinc/20/98/09/527209809.db2.gz YTAUYAYBQKXQDU-UHFFFAOYSA-N 0 0 306.410 2.403 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cccnc1N1CCCCC1 ZINC000448379465 527211058 /nfs/dbraw/zinc/21/10/58/527211058.db2.gz YEPOWRCRPYNBJH-UHFFFAOYSA-N 0 0 316.405 2.093 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2OC ZINC000448373314 527211104 /nfs/dbraw/zinc/21/11/04/527211104.db2.gz GUQJKZRQMLZHOY-AWEZNQCLSA-N 0 0 318.373 2.178 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C(=O)OC)C1 ZINC000413822345 527215873 /nfs/dbraw/zinc/21/58/73/527215873.db2.gz KNVDBGAJDVLWBH-HZPDHXFCSA-N 0 0 316.401 2.378 10 30 DEEERN C=CCCCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000448380324 527217789 /nfs/dbraw/zinc/21/77/89/527217789.db2.gz FGYVDALUKAVZIV-KRWDZBQOSA-N 0 0 312.417 2.372 10 30 DEEERN C=CCCCNC(=O)N1CCOC[C@H]1c1noc(C(C)C)n1 ZINC000448257238 527218625 /nfs/dbraw/zinc/21/86/25/527218625.db2.gz SPPGJIWMNLIQQB-LBPRGKRZSA-N 0 0 308.382 2.242 10 30 DEEERN C=CCCCNC(=O)NC[C@H](Cc1ccccc1Cl)C(N)=O ZINC000448246595 527220665 /nfs/dbraw/zinc/22/06/65/527220665.db2.gz ABHQUUVGAXOYRE-ZDUSSCGKSA-N 0 0 323.824 2.249 10 30 DEEERN C=CCCCNC(=O)[C@@](N)(c1ccccc1OC)C(F)(F)F ZINC000448526170 527225003 /nfs/dbraw/zinc/22/50/03/527225003.db2.gz XMLNMPTZJLOLDZ-AWEZNQCLSA-N 0 0 316.323 2.494 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@@H](C)CO ZINC000282767517 527256437 /nfs/dbraw/zinc/25/64/37/527256437.db2.gz JCVTVLLWHWSRHM-ZDUSSCGKSA-N 0 0 318.417 2.316 10 30 DEEERN C=CCn1c(C(C)C)nnc1N(C)Cc1nc([C@@H](C)OC)no1 ZINC000337769238 527288963 /nfs/dbraw/zinc/28/89/63/527288963.db2.gz CVNFDYNBUTVPTQ-LLVKDONJSA-N 0 0 320.397 2.314 10 30 DEEERN C=CCCN(C)C(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000342004955 527307727 /nfs/dbraw/zinc/30/77/27/527307727.db2.gz AEJLKKMPQPFBIK-MRXNPFEDSA-N 0 0 304.390 2.297 10 30 DEEERN C=CCn1c(SCc2nnnn2C(C)C)nnc1C1CC1 ZINC000195516923 527344073 /nfs/dbraw/zinc/34/40/73/527344073.db2.gz BCKHCWQCUUTFSC-UHFFFAOYSA-N 0 0 305.411 2.201 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000134787849 527383755 /nfs/dbraw/zinc/38/37/55/527383755.db2.gz VPDUNTMOAWXCIS-STQMWFEESA-N 0 0 323.824 2.411 10 30 DEEERN C=CCCO[C@H](C)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000249826806 527388554 /nfs/dbraw/zinc/38/85/54/527388554.db2.gz QXGJMFSIFCRWGC-ILXRZTDVSA-N 0 0 313.463 2.481 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CCC(c3nc(C)no3)CC2)cc1 ZINC000296584606 527435669 /nfs/dbraw/zinc/43/56/69/527435669.db2.gz FYKZBUWZILEQIV-UHFFFAOYSA-N 0 0 324.384 2.449 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CCC(n3ccnc3)CC2)cc1 ZINC000297471869 527435951 /nfs/dbraw/zinc/43/59/51/527435951.db2.gz DEFNTTKLPYQXSJ-UHFFFAOYSA-N 0 0 308.385 2.411 10 30 DEEERN C#Cc1ccccc1CC(=O)N1CCCN(C(=O)CCC)CC1 ZINC000377842144 527460872 /nfs/dbraw/zinc/46/08/72/527460872.db2.gz HSCBTJSGUAUSGY-UHFFFAOYSA-N 0 0 312.413 2.071 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCOC[C@H]1C ZINC000337531097 527503422 /nfs/dbraw/zinc/50/34/22/527503422.db2.gz DBSFXFJDUWRSQX-UKRRQHHQSA-N 0 0 316.401 2.285 10 30 DEEERN C=CCN(C)C(=O)C(=O)N(C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000410821001 527554408 /nfs/dbraw/zinc/55/44/08/527554408.db2.gz HMVINKGWAKFMOJ-INIZCTEOSA-N 0 0 320.408 2.496 10 30 DEEERN C=CCN(C)C(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000339546078 527556848 /nfs/dbraw/zinc/55/68/48/527556848.db2.gz ZFHNXTRJTOXNGT-UHFFFAOYSA-N 0 0 301.173 2.254 10 30 DEEERN C=CCN(C)c1nnc(-c2ncccc2C)n1C[C@H]1CCCO1 ZINC000339011603 527579199 /nfs/dbraw/zinc/57/91/99/527579199.db2.gz BMNVCBUNILWKGC-CQSZACIVSA-N 0 0 313.405 2.450 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCC[C@H](NC(=O)CCC)C1 ZINC000188465207 527615975 /nfs/dbraw/zinc/61/59/75/527615975.db2.gz MYJYFZQFXSXCJJ-WMLDXEAASA-N 0 0 310.438 2.123 10 30 DEEERN CC(C)[C@](C)(C#N)NC(=O)CN1CCO[C@@H](c2ccsc2)C1 ZINC000246692939 527930963 /nfs/dbraw/zinc/93/09/63/527930963.db2.gz RKIQSNIAWOJVPI-ZBFHGGJFSA-N 0 0 321.446 2.176 10 30 DEEERN CCCCC(=O)N1CSC[C@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000356985043 528086191 /nfs/dbraw/zinc/08/61/91/528086191.db2.gz XIOFXEDGQUOJKA-ZDUSSCGKSA-N 0 0 323.462 2.230 10 30 DEEERN CCCCCCCC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000377973088 528119177 /nfs/dbraw/zinc/11/91/77/528119177.db2.gz ZIMBGPDDAGSLGP-OAHLLOKOSA-N 0 0 310.438 2.243 10 30 DEEERN CCCCCCCS(=O)(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000195342434 528137315 /nfs/dbraw/zinc/13/73/15/528137315.db2.gz DOEFSVTWQGDOCX-ZDUSSCGKSA-N 0 0 314.455 2.311 10 30 DEEERN CCCc1csc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1 ZINC000373186399 528675621 /nfs/dbraw/zinc/67/56/21/528675621.db2.gz OVNAACQFIODBMZ-CYBMUJFWSA-N 0 0 319.434 2.300 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1nc(C(C)C)cs1 ZINC000193362680 528688068 /nfs/dbraw/zinc/68/80/68/528688068.db2.gz KNJOUMGGQGQNID-SNVBAGLBSA-N 0 0 308.407 2.213 10 30 DEEERN CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(N3CCOCC3)nc2)O1 ZINC000329807506 529335633 /nfs/dbraw/zinc/33/56/33/529335633.db2.gz LQQWWYOYZQZQCB-KGLIPLIRSA-N 0 0 305.378 2.464 10 30 DEEERN CCCc1nc(C[S@@](=O)Cc2ccc(C#N)c(F)c2)no1 ZINC000190764115 535534399 /nfs/dbraw/zinc/53/43/99/535534399.db2.gz YAFYACRQTXHKAE-NRFANRHFSA-N 0 0 307.350 2.482 10 30 DEEERN CCN(C[C@H](C)C#N)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451111062 535775201 /nfs/dbraw/zinc/77/52/01/535775201.db2.gz ZVGAXOSFKPHZPP-LLVKDONJSA-N 0 0 309.366 2.009 10 30 DEEERN CO[C@@H]([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1CC1 ZINC000456553080 536551414 /nfs/dbraw/zinc/55/14/14/536551414.db2.gz IKDQTWRFZYRVCC-YLVFBTJISA-N 0 0 324.421 2.178 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(C#N)ccc1F ZINC000248802874 536553138 /nfs/dbraw/zinc/55/31/38/536553138.db2.gz GJHBKGCFQSHLOO-BJJXKVORSA-N 0 0 302.349 2.471 10 30 DEEERN COc1cccc(OCCCNC(=O)c2ccnc(C#N)c2)c1 ZINC000193313445 537134883 /nfs/dbraw/zinc/13/48/83/537134883.db2.gz PQKLSMUQTWPFCR-UHFFFAOYSA-N 0 0 311.341 2.161 10 30 DEEERN CCC(C)(C)NC(=O)CON=CC(=O)Nc1cccc(F)c1 ZINC000254969960 622822789 /nfs/dbraw/zinc/82/27/89/622822789.db2.gz BLBFJYPOXXAKNO-UHFFFAOYSA-N 0 0 309.341 2.071 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)Cc2cnn(CCC)c2)c1 ZINC000179386937 625641148 /nfs/dbraw/zinc/64/11/48/625641148.db2.gz JESCLJBJGPKREP-UHFFFAOYSA-N 0 0 310.401 2.345 10 30 DEEERN CON=Cc1ccc(C(=O)NCc2nccn2CC(C)C)cc1 ZINC000255166478 623675563 /nfs/dbraw/zinc/67/55/63/623675563.db2.gz OKXPWLHQFBODRN-UHFFFAOYSA-N 0 0 314.389 2.449 10 30 DEEERN C=C(C)[C@@H]1CC=C(COC(=O)CCN2C(=O)CCC2=O)CC1 ZINC000177694972 623695403 /nfs/dbraw/zinc/69/54/03/623695403.db2.gz OOINNSFZDZKCQB-CQSZACIVSA-N 0 0 305.374 2.371 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CSCCS1 ZINC000176061521 624650390 /nfs/dbraw/zinc/65/03/90/624650390.db2.gz RQFHBPNOXGVXSU-DGCLKSJQSA-N 0 0 322.455 2.290 10 30 DEEERN C#CC[C@H](OC(=O)[C@H](C)Sc1nnnn1C1CC1)C(C)C ZINC000177725103 625070143 /nfs/dbraw/zinc/07/01/43/625070143.db2.gz NBJSRMZXKAMDAA-JQWIXIFHSA-N 0 0 308.407 2.080 10 30 DEEERN COc1ccccc1[C@H](O)CNC(=O)c1sccc1C#N ZINC000052147837 625121586 /nfs/dbraw/zinc/12/15/86/625121586.db2.gz MQLSHFPYZHBRLG-GFCCVEGCSA-N 0 0 302.355 2.092 10 30 DEEERN C#Cc1cccc(N(CC)Cc2csc(CC(=O)NC)n2)c1 ZINC000177596499 632953850 /nfs/dbraw/zinc/95/38/50/632953850.db2.gz VOGKYSTWYGKLKO-UHFFFAOYSA-N 0 0 313.426 2.439 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000733673937 633262823 /nfs/dbraw/zinc/26/28/23/633262823.db2.gz BEBFVQWMKUAIIX-UHFFFAOYSA-N 0 0 319.411 2.096 10 30 DEEERN C#Cc1ccc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)cn1 ZINC000733970124 633306217 /nfs/dbraw/zinc/30/62/17/633306217.db2.gz JYLVIKMJORPERN-QGZVFWFLSA-N 0 0 307.353 2.284 10 30 DEEERN C=C(COC(=O)/C=C\c1ccc(OC)c(OC)c1)C(=O)OCC ZINC000734024417 633316634 /nfs/dbraw/zinc/31/66/34/633316634.db2.gz LBOHWBFXZNKPQQ-CLFYSBASSA-N 0 0 320.341 2.380 10 30 DEEERN C=C(COC(=O)COc1ccc2c(c1)CCC2)C(=O)OCC ZINC000734023588 633317073 /nfs/dbraw/zinc/31/70/73/633317073.db2.gz VFWQLEJTDSLMLA-UHFFFAOYSA-N 0 0 304.342 2.217 10 30 DEEERN C#CCOc1ccccc1CNC(=O)NCc1cccc(C)n1 ZINC000734165651 633341509 /nfs/dbraw/zinc/34/15/09/633341509.db2.gz BHYXGJYEBOHONB-UHFFFAOYSA-N 0 0 309.369 2.401 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CCCn1ccccc1=O ZINC000735003754 633450125 /nfs/dbraw/zinc/45/01/25/633450125.db2.gz UURWJGYQSCDPHM-UHFFFAOYSA-N 0 0 302.296 2.205 10 30 DEEERN CC1(C)NC(=O)N(Cc2cc(Cl)ccc2OCC#N)C1=O ZINC000735230582 633487935 /nfs/dbraw/zinc/48/79/35/633487935.db2.gz DPOYNGQETFWFBN-UHFFFAOYSA-N 0 0 307.737 2.073 10 30 DEEERN N#CCOc1ccc(Cl)cc1CN1C(=O)NC2(CCC2)C1=O ZINC000735233277 633488332 /nfs/dbraw/zinc/48/83/32/633488332.db2.gz PCEJUYPJQZJWDH-UHFFFAOYSA-N 0 0 319.748 2.217 10 30 DEEERN CN(CCN1CCOCC1)Cc1cc(Cl)ccc1OCC#N ZINC000735311734 633501226 /nfs/dbraw/zinc/50/12/26/633501226.db2.gz UWSZKSPEABDESR-UHFFFAOYSA-N 0 0 323.824 2.006 10 30 DEEERN COC(=O)[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2F)C1 ZINC000888359908 633833822 /nfs/dbraw/zinc/83/38/22/633833822.db2.gz SAVDOTAQMNOXDK-LLVKDONJSA-N 0 0 305.309 2.114 10 30 DEEERN N#CCCNS(=O)(=O)c1c(Cl)cccc1Br ZINC000304308696 635214856 /nfs/dbraw/zinc/21/48/56/635214856.db2.gz QFASXJUIKVKAIJ-UHFFFAOYSA-N 0 0 323.599 2.294 10 30 DEEERN C#Cc1cccc(NC(=S)N2CCN(CC(F)F)CC2)c1 ZINC000726486358 636436735 /nfs/dbraw/zinc/43/67/35/636436735.db2.gz NMEBGPOLZWXHCI-UHFFFAOYSA-N 0 0 309.385 2.247 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000737206122 636786252 /nfs/dbraw/zinc/78/62/52/636786252.db2.gz SPLUNAZWLHAODF-UHFFFAOYSA-N 0 0 318.682 2.437 10 30 DEEERN CC#CCCCCOC(=O)CNC(=O)Cc1cccc(F)c1 ZINC000183956527 637555765 /nfs/dbraw/zinc/55/57/65/637555765.db2.gz QBGMXQAYTKXIGU-UHFFFAOYSA-N 0 0 305.349 2.221 10 30 DEEERN C#CCCCOC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000727040748 637594883 /nfs/dbraw/zinc/59/48/83/637594883.db2.gz PVQSORCQRAYYLN-OAHLLOKOSA-N 0 0 301.342 2.374 10 30 DEEERN C#CCCNS(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000750163428 637913832 /nfs/dbraw/zinc/91/38/32/637913832.db2.gz MOTSWWRKZJAFLF-UHFFFAOYSA-N 0 0 312.753 2.329 10 30 DEEERN N#Cc1cccc(COc2ccc(N[C@@H]3CCNC3=O)cc2)c1 ZINC000179045519 638137988 /nfs/dbraw/zinc/13/79/88/638137988.db2.gz ZXXRROGPYDVUER-QGZVFWFLSA-N 0 0 307.353 2.438 10 30 DEEERN C=CCNC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000744031223 638186442 /nfs/dbraw/zinc/18/64/42/638186442.db2.gz UNLDMAPBUGKPKC-CYZMBNFOSA-N 0 0 304.296 2.079 10 30 DEEERN COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1C#N ZINC000746887873 638384624 /nfs/dbraw/zinc/38/46/24/638384624.db2.gz TYOAISQREZMABE-UHFFFAOYSA-N 0 0 311.297 2.405 10 30 DEEERN C=CCNC(=O)COC(=O)c1cc(N)cc(Cl)c1Cl ZINC000747022581 638399367 /nfs/dbraw/zinc/39/93/67/638399367.db2.gz MWFNXZHTMJMBCJ-UHFFFAOYSA-N 0 0 303.145 2.035 10 30 DEEERN C#CCNC(=O)[C@H](C)OC(=O)/C=C(/CC)c1ccc(OC)cc1 ZINC000747134704 638411108 /nfs/dbraw/zinc/41/11/08/638411108.db2.gz NFLCERHZOAKYMJ-BSHRGCEOSA-N 0 0 315.369 2.170 10 30 DEEERN CCc1ncc(NC(=O)NCc2ccc(OC)c(C#N)c2)cn1 ZINC000747374147 638431919 /nfs/dbraw/zinc/43/19/19/638431919.db2.gz UQLPGSURCILCQB-UHFFFAOYSA-N 0 0 311.345 2.241 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](C)Cn1cccn1 ZINC000804969709 638629594 /nfs/dbraw/zinc/62/95/94/638629594.db2.gz MWJFKJNMXRWZSZ-WMZOPIPTSA-N 0 0 324.428 2.453 10 30 DEEERN C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)Cc1cccc(C#N)c1 ZINC000750432966 638744886 /nfs/dbraw/zinc/74/48/86/638744886.db2.gz RBNINJDCLRYRHB-CZUORRHYSA-N 0 0 314.385 2.339 10 30 DEEERN N#Cc1cccc(CC(=O)OCC(=O)c2ccc3c(c2)OCO3)c1 ZINC000750434593 638745156 /nfs/dbraw/zinc/74/51/56/638745156.db2.gz YQWPKBKGJARAAD-UHFFFAOYSA-N 0 0 323.304 2.256 10 30 DEEERN C=CCNC(=O)[C@@H](C)OC(=O)c1sc([C@H](C)OC)nc1C ZINC000750448042 638745774 /nfs/dbraw/zinc/74/57/74/638745774.db2.gz PHVOJZAIZXDXBU-ZJUUUORDSA-N 0 0 312.391 2.006 10 30 DEEERN C=C(C)CN(CC)C(=O)COC(=O)c1ncccc1OCC ZINC000750667771 639013052 /nfs/dbraw/zinc/01/30/52/639013052.db2.gz SNJTXZOFZKBXAU-UHFFFAOYSA-N 0 0 306.362 2.062 10 30 DEEERN C=C(Cl)CNS(=O)(=O)c1cccnc1C(F)(F)F ZINC000805008062 639161925 /nfs/dbraw/zinc/16/19/25/639161925.db2.gz ZEKBQOTZLHRBPF-UHFFFAOYSA-N 0 0 300.689 2.131 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000752755079 639216628 /nfs/dbraw/zinc/21/66/28/639216628.db2.gz RXBRXRFBFPDZED-CNELAYHGSA-N 0 0 304.346 2.299 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCCc1cnn(C)c1 ZINC000805053129 639360359 /nfs/dbraw/zinc/36/03/59/639360359.db2.gz INFOSJBGZQHEBL-GOSISDBHSA-N 0 0 324.428 2.287 10 30 DEEERN C#CCCNC(=O)NCc1ccncc1OCc1ccccc1 ZINC000805113104 639756171 /nfs/dbraw/zinc/75/61/71/639756171.db2.gz SZWJMKYHSGWLOO-UHFFFAOYSA-N 0 0 309.369 2.483 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccnc2c1ncn2C ZINC000805216577 640253641 /nfs/dbraw/zinc/25/36/41/640253641.db2.gz MRBIJLOLZMTLAA-HNNXBMFYSA-N 0 0 318.380 2.333 10 30 DEEERN C[C@@](O)(C(=O)OCc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000805580479 642246948 /nfs/dbraw/zinc/24/69/48/642246948.db2.gz SHGHUVDXROELLB-HNNXBMFYSA-N 0 0 309.749 2.447 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCCOC[C@@H]1C ZINC000805786415 643267560 /nfs/dbraw/zinc/26/75/60/643267560.db2.gz QVAAVPISXNOJPY-RDJZCZTQSA-N 0 0 300.402 2.441 10 30 DEEERN C#C[C@@H](Cc1ccccc1)OC(=O)CO[C@@H](C)c1nccn1C ZINC000805900295 643758625 /nfs/dbraw/zinc/75/86/25/643758625.db2.gz LFFMDHSALDGNEM-HOCLYGCPSA-N 0 0 312.369 2.285 10 30 DEEERN CCc1ccc(C(=O)CCC(=O)[C@@H](C#N)C(=O)NC2CC2)cc1 ZINC000129148347 644725470 /nfs/dbraw/zinc/72/54/70/644725470.db2.gz MODJFPYATYHMMQ-OAHLLOKOSA-N 0 0 312.369 2.199 10 30 DEEERN COC(=O)c1ccoc1C(=O)OCCOc1ccccc1C#N ZINC000800267089 645248381 /nfs/dbraw/zinc/24/83/81/645248381.db2.gz RHDRQVFHFISPPJ-UHFFFAOYSA-N 0 0 315.281 2.174 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)N2CCCC[C@H]2C(F)F)c1 ZINC000800647196 645294093 /nfs/dbraw/zinc/29/40/93/645294093.db2.gz QUBURGMGJFLDBJ-ZDUSSCGKSA-N 0 0 306.312 2.253 10 30 DEEERN C[C@H](C(=O)Oc1cnc2ccc(F)cc2c1)n1cnc(C#N)n1 ZINC000801027948 645332631 /nfs/dbraw/zinc/33/26/31/645332631.db2.gz UOQLONJXPVUPHS-SECBINFHSA-N 0 0 311.276 2.004 10 30 DEEERN C=CCOc1ccccc1C(=O)OCc1nc(N(C)C)no1 ZINC000801222075 645354328 /nfs/dbraw/zinc/35/43/28/645354328.db2.gz SEYJNIAVAKNLAS-UHFFFAOYSA-N 0 0 303.318 2.057 10 30 DEEERN CC(C)C1CCC2(CC1)NC(=O)N(CCO[C@H](C)C#N)C2=O ZINC000801657024 645427928 /nfs/dbraw/zinc/42/79/28/645427928.db2.gz FLXALNROFRHYKF-VEAWUBTESA-N 0 0 307.394 2.052 10 30 DEEERN C=CCOc1ccc(C(=O)O[C@H]2CCN(CCF)C2)cc1OC ZINC000802231850 645502727 /nfs/dbraw/zinc/50/27/27/645502727.db2.gz MTQUQNAAEYFCCT-AWEZNQCLSA-N 0 0 323.364 2.461 10 30 DEEERN C=C[C@H](OC(=O)[C@H](C)S(=O)(=O)C1CCOCC1)C(C)(C)C ZINC000802835281 645565391 /nfs/dbraw/zinc/56/53/91/645565391.db2.gz DJUIMFVIMKPIMS-AAEUAGOBSA-N 0 0 318.435 2.113 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)NC)c1 ZINC000803526360 645669057 /nfs/dbraw/zinc/66/90/57/645669057.db2.gz VRMPLRSCINCXDC-SFHVURJKSA-N 0 0 320.392 2.411 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)c1ccc(NC(C)=O)cc1 ZINC000803699158 645681744 /nfs/dbraw/zinc/68/17/44/645681744.db2.gz TUHARHQHDLELNJ-UHFFFAOYSA-N 0 0 311.337 2.034 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)NCc1cccc(Cl)c1 ZINC000803699070 645681923 /nfs/dbraw/zinc/68/19/23/645681923.db2.gz PIODBGXYQNQCNA-UHFFFAOYSA-N 0 0 317.772 2.162 10 30 DEEERN C=C(COC(=O)CCc1cccc(OC)c1F)C(=O)OCC ZINC000803728770 645685848 /nfs/dbraw/zinc/68/58/48/645685848.db2.gz FAJXAWUEYXJSFB-UHFFFAOYSA-N 0 0 310.321 2.429 10 30 DEEERN N#Cc1cccc(C2(NC(=O)[C@H]3CCCC34OCCO4)CC2)c1 ZINC000803806893 645698954 /nfs/dbraw/zinc/69/89/54/645698954.db2.gz CXNVOKMMWKPGLA-OAHLLOKOSA-N 0 0 312.369 2.207 10 30 DEEERN C=CCNC(=O)[C@@H](C)OC(=O)c1[nH]c2ccccc2c1OC ZINC000803815902 645700698 /nfs/dbraw/zinc/70/06/98/645700698.db2.gz HNVRWFGFZZQGPZ-SNVBAGLBSA-N 0 0 302.330 2.024 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)c1[nH]c2ccccc2c1OC ZINC000803815901 645700751 /nfs/dbraw/zinc/70/07/51/645700751.db2.gz HNVRWFGFZZQGPZ-JTQLQIEISA-N 0 0 302.330 2.024 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCOC[C@H]1CCCO1 ZINC000804458781 645774050 /nfs/dbraw/zinc/77/40/50/645774050.db2.gz HHJMJDNSRBLEAG-ZWKOTPCHSA-N 0 0 315.413 2.323 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cnn2ccc(C)nc12 ZINC000804460260 645775012 /nfs/dbraw/zinc/77/50/12/645775012.db2.gz WOCUUUPUYSWABY-MRXNPFEDSA-N 0 0 318.380 2.402 10 30 DEEERN C#C[C@@H](CC)NC(=O)N[C@@H](c1c(C)nn(C)c1C)C(F)(F)F ZINC000806387309 645825614 /nfs/dbraw/zinc/82/56/14/645825614.db2.gz ILCHWDRTXBYZIC-JQWIXIFHSA-N 0 0 316.327 2.351 10 30 DEEERN CC#CCCNC(=O)NCc1cc(Br)ccc1O ZINC000807137237 645914926 /nfs/dbraw/zinc/91/49/26/645914926.db2.gz HVRFNVINZXIFCK-UHFFFAOYSA-N 0 0 311.179 2.367 10 30 DEEERN C#CCN(CC#C)C(=O)CN(CC)Cc1ccccc1Cl ZINC000807148266 645915591 /nfs/dbraw/zinc/91/55/91/645915591.db2.gz AOZOODGBNNXTTC-UHFFFAOYSA-N 0 0 302.805 2.257 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000807410870 645947853 /nfs/dbraw/zinc/94/78/53/645947853.db2.gz YPZOGOYLHFSKJE-MJGOQNOKSA-N 0 0 313.372 2.071 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1CCO ZINC000807465316 645953641 /nfs/dbraw/zinc/95/36/41/645953641.db2.gz AVUICMMEIBPGRI-SJORKVTESA-N 0 0 300.402 2.177 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]([C@@H](C)O)C1 ZINC000807466928 645954678 /nfs/dbraw/zinc/95/46/78/645954678.db2.gz HKNBFTOUSSYQSN-HYVNUMGLSA-N 0 0 300.402 2.033 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]([C@H](C)O)C1 ZINC000807471138 645955733 /nfs/dbraw/zinc/95/57/33/645955733.db2.gz YPOOFTOXMNZQFH-RYQLBKOJSA-N 0 0 314.429 2.423 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCC1CC(O)C1 ZINC000807471005 645955942 /nfs/dbraw/zinc/95/59/42/645955942.db2.gz WWKYUUGOZNOCDC-AQFXKWCLSA-N 0 0 300.402 2.081 10 30 DEEERN CC(=NNC(=S)Nc1cccnc1)c1cn2c(n1)CCCC2 ZINC000807947994 646011258 /nfs/dbraw/zinc/01/12/58/646011258.db2.gz QYEUIBCZMGGWJR-UHFFFAOYSA-N 0 0 314.418 2.325 10 30 DEEERN C#CCCCCNC(=O)NCCc1csc(N2CCCC2)n1 ZINC000151124444 646274608 /nfs/dbraw/zinc/27/46/08/646274608.db2.gz RUGBYGPTLUNKRW-UHFFFAOYSA-N 0 0 320.462 2.389 10 30 DEEERN C#CCCOC(=O)CSc1nnc(C)n1Cc1ccccc1 ZINC000170719138 646661167 /nfs/dbraw/zinc/66/11/67/646661167.db2.gz XOIGJSWNLQCTIN-UHFFFAOYSA-N 0 0 315.398 2.293 10 30 DEEERN C#Cc1cccc(N(CC)S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000172892695 646753713 /nfs/dbraw/zinc/75/37/13/646753713.db2.gz VAXMDMXAINGCAB-AWEZNQCLSA-N 0 0 306.431 2.471 10 30 DEEERN CCCCCCCCCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000173843188 646781036 /nfs/dbraw/zinc/78/10/36/646781036.db2.gz MPBBXNJQXQZRHU-UHFFFAOYSA-N 0 0 311.426 2.184 10 30 DEEERN N#Cc1ccc(OCCNC(=O)NOCc2ccccc2)cc1 ZINC000174717365 646950531 /nfs/dbraw/zinc/95/05/31/646950531.db2.gz RQDNKQFEVGGDPS-UHFFFAOYSA-N 0 0 311.341 2.368 10 30 DEEERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000153163291 647364783 /nfs/dbraw/zinc/36/47/83/647364783.db2.gz CLYHOGYXUQKSHX-GJZGRUSLSA-N 0 0 317.414 2.069 10 30 DEEERN C=CCC[C@@H](C)OC(=O)CN1CCN(c2ccccn2)CC1 ZINC000153481984 647483909 /nfs/dbraw/zinc/48/39/09/647483909.db2.gz MAYMODLQMLXIFF-OAHLLOKOSA-N 0 0 303.406 2.102 10 30 DEEERN N#C[C@H]1CN(C(=S)Nc2ccc(F)cc2F)CCN1C1CC1 ZINC000732626013 647633009 /nfs/dbraw/zinc/63/30/09/647633009.db2.gz QJYAXGPEQFYIPV-LBPRGKRZSA-N 0 0 322.384 2.334 10 30 DEEERN C/C(=C/C(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccc(F)cc1 ZINC000732649770 647635814 /nfs/dbraw/zinc/63/58/14/647635814.db2.gz RIYZHSLNNQLBPW-OJNOIJSXSA-N 0 0 313.376 2.428 10 30 DEEERN N#C[C@H]1CN(C(=O)c2csc3c2CCCC3)CCN1C1CC1 ZINC000732664573 647637399 /nfs/dbraw/zinc/63/73/99/647637399.db2.gz RDIGTTQAOBBOOO-ZDUSSCGKSA-N 0 0 315.442 2.439 10 30 DEEERN C[C@@H](C#N)NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000154310959 647980774 /nfs/dbraw/zinc/98/07/74/647980774.db2.gz SJFMPFIKSAPIOM-ZDUSSCGKSA-N 0 0 307.353 2.112 10 30 DEEERN C#C[C@H](CCC)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000233357567 648339902 /nfs/dbraw/zinc/33/99/02/648339902.db2.gz OWOGBMIARCKKBT-SNVBAGLBSA-N 0 0 311.794 2.068 10 30 DEEERN C=C[C@H](CC)OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000181226555 648587030 /nfs/dbraw/zinc/58/70/30/648587030.db2.gz SFEPPZNPZLTPQV-GFCCVEGCSA-N 0 0 308.378 2.091 10 30 DEEERN C=C[C@H](CC)OC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000181241301 648590370 /nfs/dbraw/zinc/59/03/70/648590370.db2.gz OLFOMMMVTVFNEW-CQSZACIVSA-N 0 0 301.342 2.457 10 30 DEEERN C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000183133847 649042286 /nfs/dbraw/zinc/04/22/86/649042286.db2.gz AODQCKPMLJZPEU-OLZOCXBDSA-N 0 0 323.418 2.366 10 30 DEEERN Cc1nn(C)c2sc(C(=O)OCC3(C#N)CCOCC3)cc12 ZINC000183985196 649218270 /nfs/dbraw/zinc/21/82/70/649218270.db2.gz YLGYWLUKOAYAKU-UHFFFAOYSA-N 0 0 319.386 2.420 10 30 DEEERN C#CCCNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000733335543 649545678 /nfs/dbraw/zinc/54/56/78/649545678.db2.gz FCXUHRJMRMVMCL-UHFFFAOYSA-N 0 0 311.341 2.354 10 30 DEEERN C#CCOc1ccccc1OC(=O)[C@H](C)NC(=O)c1ccco1 ZINC000107416802 651442468 /nfs/dbraw/zinc/44/24/68/651442468.db2.gz OIZXVMSZOLCPPB-LBPRGKRZSA-N 0 0 313.309 2.016 10 30 DEEERN CNC(=O)c1cncc(/C=C/C(=O)OCc2ccc(C#N)cc2)c1 ZINC000111677990 652613602 /nfs/dbraw/zinc/61/36/02/652613602.db2.gz OCQFBXLUELUJAS-VOTSOKGWSA-N 0 0 321.336 2.069 10 30 DEEERN CN1C(=O)C[C@@H](C(=O)Oc2ccc(C#N)cc2)[C@@H]1c1cccnc1 ZINC000074394983 683930984 /nfs/dbraw/zinc/93/09/84/683930984.db2.gz SUSZQESLTGFFPD-WBVHZDCISA-N 0 0 321.336 2.078 10 30 DEEERN C#CCN(CC#C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000076185460 683940918 /nfs/dbraw/zinc/94/09/18/683940918.db2.gz FMQPRTVSIPCNQS-UHFFFAOYSA-N 0 0 306.768 2.006 10 30 DEEERN C#CC[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1Cl)C1CC1 ZINC000079210872 683971104 /nfs/dbraw/zinc/97/11/04/683971104.db2.gz IFFWVICQWLBINT-CQSZACIVSA-N 0 0 316.748 2.274 10 30 DEEERN C#C[C@H](Cc1ccccc1)OC(=O)CCCCCNC(C)=O ZINC000120552566 684097799 /nfs/dbraw/zinc/09/77/99/684097799.db2.gz ZWMXFGDEZJTUHY-QGZVFWFLSA-N 0 0 301.386 2.471 10 30 DEEERN C[C@H](C#N)Oc1ccc(CN(C)CC(=O)NC(C)(C)C)cc1 ZINC000120665890 684099560 /nfs/dbraw/zinc/09/95/60/684099560.db2.gz IAUQFBUPNRWIAF-CYBMUJFWSA-N 0 0 303.406 2.324 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N[C@H](C#N)C2CC2)C1 ZINC000126964160 684158767 /nfs/dbraw/zinc/15/87/67/684158767.db2.gz CFGNAKCMZMJVSN-WCQYABFASA-N 0 0 307.394 2.052 10 30 DEEERN C=C(C)CCOC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000130206309 684186755 /nfs/dbraw/zinc/18/67/55/684186755.db2.gz QXRNQALRGINRPB-UHFFFAOYSA-N 0 0 309.387 2.250 10 30 DEEERN C#CCSCCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000130234109 684186792 /nfs/dbraw/zinc/18/67/92/684186792.db2.gz GBAUNUUNFCYIMI-IUODEOHRSA-N 0 0 316.426 2.377 10 30 DEEERN C#CCN(C1CCCC1)S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190771140 684413044 /nfs/dbraw/zinc/41/30/44/684413044.db2.gz IEQJVRBAARDELO-UHFFFAOYSA-N 0 0 311.378 2.401 10 30 DEEERN C=C[C@](C)(CCOC)COC(=O)CNC(=O)c1ccc(F)cc1 ZINC000191092796 684421225 /nfs/dbraw/zinc/42/12/25/684421225.db2.gz HFZWMPGNKWNAIX-QGZVFWFLSA-N 0 0 323.364 2.328 10 30 DEEERN C[C@H](C#N)Oc1ccccc1NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000245639692 685116106 /nfs/dbraw/zinc/11/61/06/685116106.db2.gz AODQCKPMLJZPEU-CHWSQXEVSA-N 0 0 323.418 2.366 10 30 DEEERN CCOC(=O)c1cn(C)nc1NC(=O)/C=C\c1ccccc1C#N ZINC000588426417 777147131 /nfs/dbraw/zinc/14/71/31/777147131.db2.gz WHIFFSIGWAQKIP-HJWRWDBZSA-N 0 0 324.340 2.120 10 30 DEEERN Cn1c2ccccc2nc1[C@H](C#N)C(=O)C=Cc1ccncn1 ZINC000588468267 777238753 /nfs/dbraw/zinc/23/87/53/777238753.db2.gz RLZRBHWQFJHSBW-FMFIFOJESA-N 0 0 303.325 2.253 10 30 DEEERN COC[C@H](Cn1cc(Br)cc(C#N)c1=O)C(C)C ZINC000721755614 778866815 /nfs/dbraw/zinc/86/68/15/778866815.db2.gz WJGFAIQWLXCDEO-NSHDSACASA-N 0 0 313.195 2.401 10 30 DEEERN COc1ccc(CNC(=O)c2cnn(C)c2C(F)F)cc1C#N ZINC000746922633 786542074 /nfs/dbraw/zinc/54/20/74/786542074.db2.gz JFZFTBWPCRLMFX-UHFFFAOYSA-N 0 0 320.299 2.168 10 30 DEEERN COc1ccc(CNC(=O)c2cnc3ccccc3n2)cc1C#N ZINC000746922442 786542372 /nfs/dbraw/zinc/54/23/72/786542372.db2.gz IMYAWANJAMQHSW-UHFFFAOYSA-N 0 0 318.336 2.440 10 30 DEEERN CC(C)[C@H](NC(N)=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000059003375 799607674 /nfs/dbraw/zinc/60/76/74/799607674.db2.gz GGSWZWZNHMXCQM-AWEZNQCLSA-N 0 0 318.377 2.001 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnc(Cl)c(Br)c1 ZINC000316101878 802498754 /nfs/dbraw/zinc/49/87/54/802498754.db2.gz DEQPKJQJWOBMOI-MRVPVSSYSA-N 0 0 319.586 2.164 10 30 DEEERN C=CCNC(=O)CNc1cccc(Br)c1[N+](=O)[O-] ZINC000393833594 1083733705 /nfs/dbraw/zinc/73/37/05/1083733705.db2.gz LTWKOVPRVXAYKL-UHFFFAOYSA-N 0 0 314.139 2.071 10 30 DEEERN Cn1cc(CNCc2cc(C#N)cs2)c(Br)n1 ZINC000720644491 1085807979 /nfs/dbraw/zinc/80/79/79/1085807979.db2.gz DFWFWQUYKKSDHC-UHFFFAOYSA-N 0 0 311.208 2.406 10 30 DEEERN Cc1cc(NCc2cn(C)nc2Br)cc(C#N)n1 ZINC000720677012 1085847857 /nfs/dbraw/zinc/84/78/57/1085847857.db2.gz ADJXLLAYLONXOQ-UHFFFAOYSA-N 0 0 306.167 2.370 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1cnc(Cl)c(F)c1)C(C)(C)C ZINC000702267450 1086419975 /nfs/dbraw/zinc/41/99/75/1086419975.db2.gz SISDXHLBDSAHAI-SNVBAGLBSA-N 0 0 304.774 2.200 10 30 DEEERN C#CC1(O)CCN(C(=O)c2cc(C)ccc2Br)CC1 ZINC000708136185 1086676885 /nfs/dbraw/zinc/67/68/85/1086676885.db2.gz BUGLRJCXDDJTLB-UHFFFAOYSA-N 0 0 322.202 2.358 10 30 DEEERN C=CCCC[C@H](C)NC(=O)[C@H]1COCCN1CC(F)(F)F ZINC000355790570 1138321050 /nfs/dbraw/zinc/32/10/50/1138321050.db2.gz ZQKDDCSNSFJXNM-NWDGAFQWSA-N 0 0 308.344 2.111 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1cnc(-c2cccc(O)c2)nc1 ZINC000081777889 192323288 /nfs/dbraw/zinc/32/32/88/192323288.db2.gz OEAMBJWTMLNGIF-UHFFFAOYSA-N 0 0 319.324 2.312 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)c1nc([C@@H](C)c2cnccn2)no1 ZINC000624738821 365531143 /nfs/dbraw/zinc/53/11/43/365531143.db2.gz NISJKQCHIYSBGY-JQWIXIFHSA-N 0 0 301.350 2.155 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCc1ccc2c(c1)CCO2 ZINC000278350027 214107914 /nfs/dbraw/zinc/10/79/14/214107914.db2.gz MYEADXIDOJWCCK-NVXWUHKLSA-N 0 0 301.386 2.261 10 30 DEEERN C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(CCF)CCOC ZINC000624841894 365568701 /nfs/dbraw/zinc/56/87/01/365568701.db2.gz BZFAMMWBMLRCIS-STQMWFEESA-N 0 0 312.389 2.126 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000278378633 214128163 /nfs/dbraw/zinc/12/81/63/214128163.db2.gz HKXIBHISSRSIIX-NVXWUHKLSA-N 0 0 315.417 2.279 10 30 DEEERN C=CC[C@@H](C)NS(=O)(=O)C[C@H](OC)c1ccc(F)cc1 ZINC000624975076 365604439 /nfs/dbraw/zinc/60/44/39/365604439.db2.gz QSIFGBYJMGKWFB-RISCZKNCSA-N 0 0 301.383 2.397 10 30 DEEERN C[C@@H](OCCS(=O)(=O)c1cccc(C#N)c1)C(F)(F)F ZINC000163153756 197614048 /nfs/dbraw/zinc/61/40/48/197614048.db2.gz FVIWBGKEEFMFLJ-SECBINFHSA-N 0 0 307.293 2.299 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)CCc1ccc(O)cc1 ZINC000612618044 361875293 /nfs/dbraw/zinc/87/52/93/361875293.db2.gz NSEMYXIMJONFFU-CXAGYDPISA-N 0 0 318.417 2.300 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)Cc1cccc(N(C)C)c1 ZINC000612670539 361887935 /nfs/dbraw/zinc/88/79/35/361887935.db2.gz MZQHOEWYOHRWGL-QGZVFWFLSA-N 0 0 317.433 2.182 10 30 DEEERN C=C(C)CN(CC)c1nnc(-c2nnn(C)c2C)n1CC1CC1 ZINC000612953395 361960172 /nfs/dbraw/zinc/96/01/72/361960172.db2.gz KZNWVZKYNGTCTF-UHFFFAOYSA-N 0 0 315.425 2.194 10 30 DEEERN O=C(Nc1cc(C#CCCO)ccc1Cl)c1csnn1 ZINC000087466766 185225904 /nfs/dbraw/zinc/22/59/04/185225904.db2.gz MKGMGJSTSJPJFB-UHFFFAOYSA-N 0 0 307.762 2.178 10 30 DEEERN CC1(C)CCCN(S(=O)(=O)c2ccc(N)cc2C#N)CC1 ZINC000087647628 185229821 /nfs/dbraw/zinc/22/98/21/185229821.db2.gz URUUBMMTYQMXBI-UHFFFAOYSA-N 0 0 307.419 2.341 10 30 DEEERN N#Cc1cc(N)c(OCCCF)c(I)c1 ZINC000088023991 185237956 /nfs/dbraw/zinc/23/79/56/185237956.db2.gz LOGYEFLVGFTJMX-UHFFFAOYSA-N 0 0 320.105 2.483 10 30 DEEERN CCn1ncc(N)c1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000087873634 185234027 /nfs/dbraw/zinc/23/40/27/185234027.db2.gz AQCGSTZKWCNATN-UHFFFAOYSA-N 0 0 301.375 2.159 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)OCC(=O)Nc1ccc(C)cc1 ZINC000278224499 214032431 /nfs/dbraw/zinc/03/24/31/214032431.db2.gz ITZXYVGNYLSJPU-GDBMZVCRSA-N 0 0 303.358 2.458 10 30 DEEERN N#CCC1(CS(=O)(=O)c2nc3ccc(N)cc3s2)CC1 ZINC000088256835 185243933 /nfs/dbraw/zinc/24/39/33/185243933.db2.gz VDEZQLQMOLKMFF-UHFFFAOYSA-N 0 0 307.400 2.346 10 30 DEEERN CC[C@@H](C)C[C@@H](C)NS(=O)(=O)c1ccc(C#CCO)cc1 ZINC000088310848 185245156 /nfs/dbraw/zinc/24/51/56/185245156.db2.gz HQSCAWQKKAIBMZ-ZIAGYGMSSA-N 0 0 309.431 2.133 10 30 DEEERN C#CCNC(=O)[C@H](C)Nc1cc(OC)ccc1Br ZINC000088319690 185245426 /nfs/dbraw/zinc/24/54/26/185245426.db2.gz IVSOPFHLKRYRAX-VIFPVBQESA-N 0 0 311.179 2.008 10 30 DEEERN CC[C@H](C#N)S(=O)(=O)N(C)[C@@H](C)Cc1ccccc1OC ZINC000088486522 185253076 /nfs/dbraw/zinc/25/30/76/185253076.db2.gz WUNZWCKOKXBGLP-GXTWGEPZSA-N 0 0 310.419 2.190 10 30 DEEERN Cc1nccn1CCN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000329062995 282207528 /nfs/dbraw/zinc/20/75/28/282207528.db2.gz VEWANHYZZLLCSS-RDTXWAMCSA-N 0 0 321.384 2.187 10 30 DEEERN O=C(CCC(F)(F)F)NCc1cc(C#CCCO)cs1 ZINC000088834244 185266646 /nfs/dbraw/zinc/26/66/46/185266646.db2.gz XPBZKWPHFBUILK-UHFFFAOYSA-N 0 0 305.321 2.441 10 30 DEEERN C[C@@H](CNc1cc(Br)ccc1C#N)[S@](C)=O ZINC000165989483 197685700 /nfs/dbraw/zinc/68/57/00/197685700.db2.gz SNDAZEVTUHWZHH-ZKANADHPSA-N 0 0 301.209 2.500 10 30 DEEERN CCc1nn(C)c(C(=O)Nc2cc(Cl)ccc2C#N)c1N ZINC000090152648 185284006 /nfs/dbraw/zinc/28/40/06/185284006.db2.gz RNKMWTBRUKJCNI-UHFFFAOYSA-N 0 0 303.753 2.342 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000625328128 365730765 /nfs/dbraw/zinc/73/07/65/365730765.db2.gz RFWKTVOANOJPEQ-UHFFFAOYSA-N 0 0 324.446 2.269 10 30 DEEERN CC(=O)Nc1cccc(OCC#CCNC(=O)C(C)(C)C)c1 ZINC000090731957 185311629 /nfs/dbraw/zinc/31/16/29/185311629.db2.gz TXFGIGKFQMYGMS-UHFFFAOYSA-N 0 0 302.374 2.190 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2c(C(F)F)c(C)nn2C)C1 ZINC000625355328 365743805 /nfs/dbraw/zinc/74/38/05/365743805.db2.gz QLVCVLDMNCIMFO-SNVBAGLBSA-N 0 0 319.377 2.253 10 30 DEEERN C=CCCN(C)C(=O)CN1CC[C@H](c2ccccc2)NC1=O ZINC000613842594 362229480 /nfs/dbraw/zinc/22/94/80/362229480.db2.gz PKEVHMVWAAGPAQ-OAHLLOKOSA-N 0 0 301.390 2.178 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)Cc1cccc(OC)c1 ZINC000625361845 365748488 /nfs/dbraw/zinc/74/84/88/365748488.db2.gz OOYZNXHUDSYFNA-UHFFFAOYSA-N 0 0 318.417 2.372 10 30 DEEERN CN1CCOc2ccc(NC(=O)N[C@H]3CCC[C@@H]3C#N)cc21 ZINC000408235738 529792006 /nfs/dbraw/zinc/79/20/06/529792006.db2.gz LNECBCCJZHCECS-YPMHNXCESA-N 0 0 300.362 2.329 10 30 DEEERN N#Cc1nc(C2CC2)oc1N1CCN(c2ccncc2C#N)CC1 ZINC000614120116 362293141 /nfs/dbraw/zinc/29/31/41/362293141.db2.gz ZEQMSVOLLRZFOO-UHFFFAOYSA-N 0 0 320.356 2.017 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](OCC)c1ccccc1 ZINC000614076403 362276564 /nfs/dbraw/zinc/27/65/64/362276564.db2.gz MIAVFNWXWHKLMW-IAGOWNOFSA-N 0 0 318.417 2.351 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C1(C(F)(F)F)CCOCC1 ZINC000614372360 362363846 /nfs/dbraw/zinc/36/38/46/362363846.db2.gz IDSBNJNMBLJFSJ-RYUDHWBXSA-N 0 0 321.339 2.443 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C1(C(F)(F)F)CCOCC1 ZINC000614372355 362364383 /nfs/dbraw/zinc/36/43/83/362364383.db2.gz IDSBNJNMBLJFSJ-NEPJUHHUSA-N 0 0 321.339 2.443 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000614551631 362407000 /nfs/dbraw/zinc/40/70/00/362407000.db2.gz LCOONWDXQPYYBE-OCVGTWLNSA-N 0 0 310.438 2.167 10 30 DEEERN C=CCOc1ccc(CNC(=O)[C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000614680596 362436242 /nfs/dbraw/zinc/43/62/42/362436242.db2.gz WUSLLMNINNBXJK-CQSZACIVSA-N 0 0 311.385 2.396 10 30 DEEERN CCc1nc(CNS(=O)(=O)c2ccc(C#N)cc2)cs1 ZINC000107703680 185489706 /nfs/dbraw/zinc/48/97/06/185489706.db2.gz HVHSCPFELWCEKL-UHFFFAOYSA-N 0 0 307.400 2.056 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(COC)CCCCC1 ZINC000615055756 362521375 /nfs/dbraw/zinc/52/13/75/362521375.db2.gz LUZILOIALUWPQN-OAHLLOKOSA-N 0 0 310.438 2.170 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1oc(CCC)nc1C ZINC000615201757 362555607 /nfs/dbraw/zinc/55/56/07/362555607.db2.gz JINDSKVQSVHIJH-CYBMUJFWSA-N 0 0 307.394 2.023 10 30 DEEERN N#C[C@H](NC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CC1 ZINC000108836660 185535520 /nfs/dbraw/zinc/53/55/20/185535520.db2.gz CRLWIOGTCWLWEC-KBPBESRZSA-N 0 0 317.776 2.111 10 30 DEEERN N#C[C@@]1(F)CCN(C(=O)NCc2ccccc2-n2cccn2)C1 ZINC000615537460 362631853 /nfs/dbraw/zinc/63/18/53/362631853.db2.gz YQBMWAXBIMFXPC-INIZCTEOSA-N 0 0 313.336 2.019 10 30 DEEERN CCOc1cccc(CCNC(=O)N2CC[C@](F)(C#N)C2)c1 ZINC000615549693 362636849 /nfs/dbraw/zinc/63/68/49/362636849.db2.gz SUHXKVOGTWMCQV-INIZCTEOSA-N 0 0 305.353 2.275 10 30 DEEERN C=CCCS(=O)(=O)NCC(=O)c1cccc(F)c1Cl ZINC000625498695 365806961 /nfs/dbraw/zinc/80/69/61/365806961.db2.gz APJAHTFIFVWFOV-UHFFFAOYSA-N 0 0 305.758 2.157 10 30 DEEERN CC(C)CCS(=O)(=O)N[C@H](C)c1cccc(C#CCO)c1 ZINC000111658238 185621832 /nfs/dbraw/zinc/62/18/32/185621832.db2.gz AFQDTDFROURASR-CQSZACIVSA-N 0 0 309.431 2.057 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(CCOC)[C@H]1CC[C@@H](C)C1 ZINC000625589471 365843587 /nfs/dbraw/zinc/84/35/87/365843587.db2.gz LAZMVHHERIWLFP-CABCVRRESA-N 0 0 324.465 2.369 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(C)(CC(F)(F)F)C1 ZINC000616161139 362785156 /nfs/dbraw/zinc/78/51/56/362785156.db2.gz ANLAONUSUXNFAE-NSHDSACASA-N 0 0 306.328 2.258 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC2(CCOCC2)[C@H]1C(C)C ZINC000616290118 362817869 /nfs/dbraw/zinc/81/78/69/362817869.db2.gz HADGEQYFBUNKIY-JKSUJKDBSA-N 0 0 322.449 2.121 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC000616515427 362877529 /nfs/dbraw/zinc/87/75/29/362877529.db2.gz ISERFHAYASCPEE-CQSZACIVSA-N 0 0 317.389 2.075 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H](OC2CCC2)C1 ZINC000616701437 362913454 /nfs/dbraw/zinc/91/34/54/362913454.db2.gz CYQAHCPNLNPHMB-HOTGVXAUSA-N 0 0 308.422 2.017 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1Cc2cc(F)c(F)cc2C1 ZINC000616706502 362916520 /nfs/dbraw/zinc/91/65/20/362916520.db2.gz CAONYLSMLFBNIU-OAHLLOKOSA-N 0 0 308.328 2.278 10 30 DEEERN N#Cc1cc(C(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)ccn1 ZINC000279908401 215227125 /nfs/dbraw/zinc/22/71/25/215227125.db2.gz MXUDKBQIFXNTSX-CYBMUJFWSA-N 0 0 323.356 2.233 10 30 DEEERN N#Cc1cc(NC(=O)C(=O)NCCC2CCCC2)ccc1F ZINC000170839370 197834694 /nfs/dbraw/zinc/83/46/94/197834694.db2.gz SNIRFZBVJGRUAK-UHFFFAOYSA-N 0 0 303.337 2.332 10 30 DEEERN C#CCC(CC#C)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000277313348 213437780 /nfs/dbraw/zinc/43/77/80/213437780.db2.gz BRSTVTPFVZDHSP-UHFFFAOYSA-N 0 0 314.332 2.483 10 30 DEEERN CCOC(=O)CN1C(=O)c2ccc(C(F)(F)F)cc2C1C#N ZINC000071680955 191007137 /nfs/dbraw/zinc/00/71/37/191007137.db2.gz FJXDCQWQZCIERH-NSHDSACASA-N 0 0 312.247 2.289 10 30 DEEERN CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1C#N)c1ncc[nH]1 ZINC000141341062 186029807 /nfs/dbraw/zinc/02/98/07/186029807.db2.gz WWUFJMDCQDHNPG-NSHDSACASA-N 0 0 324.793 2.364 10 30 DEEERN CC(C)CCCCNS(=O)(=O)c1cccc(C#CCO)c1 ZINC000147800533 186042039 /nfs/dbraw/zinc/04/20/39/186042039.db2.gz HPTLUSUQIHNOET-UHFFFAOYSA-N 0 0 309.431 2.135 10 30 DEEERN Cc1cc(C(=O)NCc2sccc2C#CCO)ccc1F ZINC000148528553 186044844 /nfs/dbraw/zinc/04/48/44/186044844.db2.gz MGCQHKZYNIFMEA-UHFFFAOYSA-N 0 0 303.358 2.469 10 30 DEEERN N#Cc1ccc(COc2ccc(Cl)cc2S(N)(=O)=O)cc1 ZINC000147280786 186039118 /nfs/dbraw/zinc/03/91/18/186039118.db2.gz GAOHWEFKWPTTOW-UHFFFAOYSA-N 0 0 322.773 2.438 10 30 DEEERN N#Cc1ccc(CS(=O)(=O)Nc2ccc(N)c(F)c2)cc1 ZINC000148730157 186045822 /nfs/dbraw/zinc/04/58/22/186045822.db2.gz RXWXTBYTAAGGPM-UHFFFAOYSA-N 0 0 305.334 2.221 10 30 DEEERN C=C(C)COCCNC(=O)[C@H]1CSC(c2ccccc2)=N1 ZINC000164169868 186151347 /nfs/dbraw/zinc/15/13/47/186151347.db2.gz YJNCEQULQRVGRC-CQSZACIVSA-N 0 0 304.415 2.258 10 30 DEEERN Cn1cc([C@H]2CCN(C(=O)Nc3ccc(F)cc3C#N)C2)cn1 ZINC000177901178 186201377 /nfs/dbraw/zinc/20/13/77/186201377.db2.gz UVZMQNYHWPWCMX-NSHDSACASA-N 0 0 313.336 2.452 10 30 DEEERN COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cccc(C#N)c1 ZINC000181903420 186217212 /nfs/dbraw/zinc/21/72/12/186217212.db2.gz WOWTWIVRMUWXRD-WFASDCNBSA-N 0 0 311.389 2.482 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cccnc1 ZINC000617039283 363006773 /nfs/dbraw/zinc/00/67/73/363006773.db2.gz FNAPFWBXZZFZOP-HIFRSBDPSA-N 0 0 301.390 2.063 10 30 DEEERN C=CCNC(=O)CN1CCc2cccc(Br)c2C1 ZINC000172405617 198092413 /nfs/dbraw/zinc/09/24/13/198092413.db2.gz VDLOGVWPZJEWGT-UHFFFAOYSA-N 0 0 309.207 2.109 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)CNC(=O)c1ccccn1 ZINC000172547920 198113686 /nfs/dbraw/zinc/11/36/86/198113686.db2.gz LOQVCVPGNFLVBP-UHFFFAOYSA-N 0 0 315.417 2.406 10 30 DEEERN N#Cc1ccccc1NC(=O)c1cc2c([nH]c1=O)CCCC2=O ZINC000072446335 191168958 /nfs/dbraw/zinc/16/89/58/191168958.db2.gz UEGAAOPBRFIQON-UHFFFAOYSA-N 0 0 307.309 2.018 10 30 DEEERN O=C(NC[C@H]1Cc2ccccc2O1)N1CC2(C1)CCCOC2 ZINC000329228887 539915457 /nfs/dbraw/zinc/91/54/57/539915457.db2.gz CEQBEDWXYJBZIB-CQSZACIVSA-N 0 0 302.374 2.017 10 30 DEEERN CS[C@@H]1CCC[C@@H](NC(=O)N2CCc3cncnc3C2)C1 ZINC000329622747 539924822 /nfs/dbraw/zinc/92/48/22/539924822.db2.gz FWCDDNREAADQPN-CHWSQXEVSA-N 0 0 306.435 2.423 10 30 DEEERN O=C(NCCOC1CCCCCC1)N1CCc2cncnc2C1 ZINC000329593853 539923774 /nfs/dbraw/zinc/92/37/74/539923774.db2.gz ZWAKLHIWBDMWDX-UHFFFAOYSA-N 0 0 318.421 2.488 10 30 DEEERN CN1C(=O)N(Cc2ccc(C#N)cc2F)C(=O)C12CCCC2 ZINC000617675164 363220681 /nfs/dbraw/zinc/22/06/81/363220681.db2.gz RAALLQTZBIJAPL-UHFFFAOYSA-N 0 0 301.321 2.404 10 30 DEEERN C=CCOCCNC(=O)c1cc(C)n(C[C@@H]2CCCOC2)c1C ZINC000626403872 366175563 /nfs/dbraw/zinc/17/55/63/366175563.db2.gz GGEWVZSFEPLPMR-INIZCTEOSA-N 0 0 320.433 2.464 10 30 DEEERN COc1ccc(C#N)cc1NC(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000050089797 354366925 /nfs/dbraw/zinc/36/69/25/354366925.db2.gz MLIUFWCKXLUOCI-HIFRSBDPSA-N 0 0 301.346 2.352 10 30 DEEERN C=CCCOCCNC(=O)NCc1ccc(C(=O)OC)cc1F ZINC000595566466 358487729 /nfs/dbraw/zinc/48/77/29/358487729.db2.gz FSFRPKASTYVWPP-UHFFFAOYSA-N 0 0 324.352 2.004 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(-n2cnnc2)cc1 ZINC000066641569 354726817 /nfs/dbraw/zinc/72/68/17/354726817.db2.gz WLHHSUXBYMRVKJ-UHFFFAOYSA-N 0 0 310.279 2.458 10 30 DEEERN O=C(CCCC1CCN(C(=O)NCc2ccccc2)CC1)NO ZINC000071318147 354897618 /nfs/dbraw/zinc/89/76/18/354897618.db2.gz YHGLEBNSCHQGHL-UHFFFAOYSA-N 0 0 319.405 2.284 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccon1 ZINC000073118997 354943784 /nfs/dbraw/zinc/94/37/84/354943784.db2.gz NVCJGKQPOUSECG-UHFFFAOYSA-N 0 0 301.302 2.340 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N(C(C)C)C3CC3)cc2C1=O ZINC000074466174 355031433 /nfs/dbraw/zinc/03/14/33/355031433.db2.gz CHLMMTHGOTZVDZ-UHFFFAOYSA-N 0 0 312.369 2.482 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000076650296 355160135 /nfs/dbraw/zinc/16/01/35/355160135.db2.gz SCDCNPABFVHQKY-UHFFFAOYSA-N 0 0 309.373 2.364 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000077861433 355233906 /nfs/dbraw/zinc/23/39/06/355233906.db2.gz YKUXDLJGIIQBPV-UHFFFAOYSA-N 0 0 312.373 2.235 10 30 DEEERN N#Cc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)nc1 ZINC000225539772 283128218 /nfs/dbraw/zinc/12/82/18/283128218.db2.gz MXCVTLMNYCXQSC-HOCLYGCPSA-N 0 0 311.316 2.040 10 30 DEEERN C=C(C)COCCNC(=O)C(=O)Nc1ccc(CC)c(CC)c1 ZINC000180166531 356044735 /nfs/dbraw/zinc/04/47/35/356044735.db2.gz ANMRNMHZRQABGF-UHFFFAOYSA-N 0 0 318.417 2.459 10 30 DEEERN CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccc(OC)c(C#N)c1 ZINC000179203453 356017175 /nfs/dbraw/zinc/01/71/75/356017175.db2.gz VEIAHYJADVYOKU-INIZCTEOSA-N 0 0 315.417 2.400 10 30 DEEERN Cc1cc(S(=O)(=O)NCCOc2ccc(C#N)cc2)c(C)o1 ZINC000183243477 356164964 /nfs/dbraw/zinc/16/49/64/356164964.db2.gz VXGQNSXIJVGAJL-UHFFFAOYSA-N 0 0 320.370 2.125 10 30 DEEERN CN(C(=O)c1cnn(CCC(F)(F)F)c1)C1(C#N)CCC1 ZINC000183298918 356167366 /nfs/dbraw/zinc/16/73/66/356167366.db2.gz VZERUQVOOPYEOL-UHFFFAOYSA-N 0 0 300.284 2.354 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@@H]1CCCc2cc(OC)ccc21 ZINC000184200625 356187895 /nfs/dbraw/zinc/18/78/95/356187895.db2.gz ZFDYCDZYQUQKBR-GJZGRUSLSA-N 0 0 318.417 2.351 10 30 DEEERN Cc1nc(NC(=O)CCc2ccnn2C)sc1SCC#N ZINC000184659186 356195119 /nfs/dbraw/zinc/19/51/19/356195119.db2.gz LHXAXANPLBEHNZ-UHFFFAOYSA-N 0 0 321.431 2.372 10 30 DEEERN CC[C@@H](NS(=O)(=O)c1ccc(N)cc1C#N)c1nccs1 ZINC000080256356 192017815 /nfs/dbraw/zinc/01/78/15/192017815.db2.gz YZWQHHJVRSXWJB-LLVKDONJSA-N 0 0 322.415 2.027 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000081011805 192213626 /nfs/dbraw/zinc/21/36/26/192213626.db2.gz RUPQYHUUUADPRV-KBPBESRZSA-N 0 0 319.430 2.023 10 30 DEEERN O=C1c2ccccc2C(=O)N1c1ccc(Cl)cc1C#CCO ZINC000307425962 356408659 /nfs/dbraw/zinc/40/86/59/356408659.db2.gz REOCLAXUOCWLKV-UHFFFAOYSA-N 0 0 311.724 2.484 10 30 DEEERN CNC(=O)c1ccc([C@H]2CCCCN2c2ccc(C#N)cn2)n1C ZINC000328618355 356460560 /nfs/dbraw/zinc/46/05/60/356460560.db2.gz DQXAQLSDDNOYIZ-OAHLLOKOSA-N 0 0 323.400 2.383 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N(C)C[C@@H]1CCn2ccnc2C1 ZINC000328620655 356461913 /nfs/dbraw/zinc/46/19/13/356461913.db2.gz HFRIMYGHIOXXLL-OAHLLOKOSA-N 0 0 308.385 2.398 10 30 DEEERN Cc1nc([NH+]=C([O-])N(C)C[C@@H]2CCc3nccn3C2)oc1C ZINC000328639719 356465941 /nfs/dbraw/zinc/46/59/41/356465941.db2.gz XAGBRWKZSRXQPK-LBPRGKRZSA-N 0 0 303.366 2.228 10 30 DEEERN C=CCN(C(=O)Nc1cnc(OC)c(OC)c1)[C@H](C)COC ZINC000626712067 366281689 /nfs/dbraw/zinc/28/16/89/366281689.db2.gz LRJHCFSCZRWWKD-LLVKDONJSA-N 0 0 309.366 2.154 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cnc(OC)c(OC)c1 ZINC000626717503 366287245 /nfs/dbraw/zinc/28/72/45/366287245.db2.gz NCGJOSSSXHZFDQ-BXUZGUMPSA-N 0 0 321.377 2.202 10 30 DEEERN C=CCOCCCNC(=O)c1cccc(N2CCCC2=O)c1 ZINC000618518010 363513831 /nfs/dbraw/zinc/51/38/31/363513831.db2.gz WITOMUOQGPFXFM-UHFFFAOYSA-N 0 0 302.374 2.136 10 30 DEEERN C=CCOCCCNC(=O)c1nnn(CC2CCCC2)c1C ZINC000618524646 363515693 /nfs/dbraw/zinc/51/56/93/363515693.db2.gz MXZCHFXRWNVJEF-UHFFFAOYSA-N 0 0 306.410 2.099 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1COc2cc(F)ccc2C1 ZINC000626831954 366340864 /nfs/dbraw/zinc/34/08/64/366340864.db2.gz NOWVNLDDAGZXCR-VBQJREDUSA-N 0 0 319.376 2.474 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)Nc1cccc(C2CCOCC2)c1 ZINC000626877866 366350154 /nfs/dbraw/zinc/35/01/54/366350154.db2.gz ATCOBZYPOAOBJK-KRWDZBQOSA-N 0 0 316.401 2.476 10 30 DEEERN CC#CC[C@H](CO)NC(=O)Nc1cccc(C2CCOCC2)c1 ZINC000626877867 366350561 /nfs/dbraw/zinc/35/05/61/366350561.db2.gz ATCOBZYPOAOBJK-QGZVFWFLSA-N 0 0 316.401 2.476 10 30 DEEERN N#Cc1c(N)n[nH]c1CCCNc1ncc(C(F)(F)F)s1 ZINC000276916862 213174396 /nfs/dbraw/zinc/17/43/96/213174396.db2.gz QBLYSQMMKFVDLD-UHFFFAOYSA-N 0 0 316.312 2.384 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000578187070 356774396 /nfs/dbraw/zinc/77/43/96/356774396.db2.gz NAIGPPZYDIDFDI-NOLJZWGESA-N 0 0 300.358 2.033 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1nc(C)c(C)s1 ZINC000578837443 356877284 /nfs/dbraw/zinc/87/72/84/356877284.db2.gz QPMUPSVTOXZZDR-NWDGAFQWSA-N 0 0 316.448 2.019 10 30 DEEERN C=CCC1(C(=O)N[C@H]2CCCc3c2cnn3C)CCOCC1 ZINC000578639713 356849430 /nfs/dbraw/zinc/84/94/30/356849430.db2.gz DKLAEEFEAJXKPN-AWEZNQCLSA-N 0 0 303.406 2.287 10 30 DEEERN C=CCCCCCNC(=O)N1CCN(c2cccnn2)CC1 ZINC000579610529 357004122 /nfs/dbraw/zinc/00/41/22/357004122.db2.gz DODQBHGUZBERMY-UHFFFAOYSA-N 0 0 303.410 2.055 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000581232960 357151518 /nfs/dbraw/zinc/15/15/18/357151518.db2.gz OOIWOXOEAXZFOR-CVEARBPZSA-N 0 0 305.422 2.158 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCOC[C@@H](C2CCC2)C1 ZINC000581306828 357164379 /nfs/dbraw/zinc/16/43/79/357164379.db2.gz GVPDCENPPNZGLI-JYJNAYRXSA-N 0 0 308.422 2.036 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000581604169 357214417 /nfs/dbraw/zinc/21/44/17/357214417.db2.gz OMWPSHNGXSZPPE-WFASDCNBSA-N 0 0 303.362 2.358 10 30 DEEERN CC1(C)CCC[C@H]1NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586864510 357377704 /nfs/dbraw/zinc/37/77/04/357377704.db2.gz XGGFEGBAPSDDEW-CQSZACIVSA-N 0 0 317.364 2.008 10 30 DEEERN Cc1cc(C#N)cc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1 ZINC000587780319 357382203 /nfs/dbraw/zinc/38/22/03/357382203.db2.gz GVWSFOCYFLMVSY-AWEZNQCLSA-N 0 0 300.406 2.250 10 30 DEEERN C[C@H]1COCC[C@@H]1CNC(=O)NCc1ccc(C#N)cc1F ZINC000588214953 357402159 /nfs/dbraw/zinc/40/21/59/357402159.db2.gz JJNIENCYGOHZKW-WCQYABFASA-N 0 0 305.353 2.169 10 30 DEEERN CCN(CC)C(=O)C1CCN(c2cc(C#N)cc(C)n2)CC1 ZINC000587586316 357381369 /nfs/dbraw/zinc/38/13/69/357381369.db2.gz DNNOVFYGFHYICF-UHFFFAOYSA-N 0 0 300.406 2.347 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CC(=O)Nc2cc(C(=O)OC)ccc21 ZINC000591001813 357658751 /nfs/dbraw/zinc/65/87/51/357658751.db2.gz DZNHVHIQCRMNKR-NSHDSACASA-N 0 0 316.357 2.361 10 30 DEEERN C=CCCCS(=O)(=O)N[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000592116422 357834384 /nfs/dbraw/zinc/83/43/84/357834384.db2.gz KPFDCOQUONXMBP-OLZOCXBDSA-N 0 0 317.451 2.382 10 30 DEEERN C=CCCOCCNC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000179330599 199016658 /nfs/dbraw/zinc/01/66/58/199016658.db2.gz NJDDDGSDCQKMIH-CYBMUJFWSA-N 0 0 320.389 2.411 10 30 DEEERN C=CCOC[C@H](NC(=O)c1coc2ccc(F)cc12)C(=O)OC ZINC000592796787 357946418 /nfs/dbraw/zinc/94/64/18/357946418.db2.gz HDSHPNPFICESDH-ZDUSSCGKSA-N 0 0 321.304 2.046 10 30 DEEERN C=CCCOCC(=O)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000592817130 357950357 /nfs/dbraw/zinc/95/03/57/357950357.db2.gz QPUXNPRDVJADHC-ZIAGYGMSSA-N 0 0 311.422 2.405 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000592940028 357975341 /nfs/dbraw/zinc/97/53/41/357975341.db2.gz ZKLLGWGGWKFRBK-RQJABVFESA-N 0 0 309.406 2.204 10 30 DEEERN C=C[C@H](C(=O)OC)N1CCN(c2cc(OC)ccc2Cl)CC1 ZINC000593038450 357993528 /nfs/dbraw/zinc/99/35/28/357993528.db2.gz YDDJBWLKMBWOJG-CQSZACIVSA-N 0 0 324.808 2.198 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1 ZINC000593603293 358109750 /nfs/dbraw/zinc/10/97/50/358109750.db2.gz KVHXQCDTXZHICK-CXAGYDPISA-N 0 0 309.406 2.108 10 30 DEEERN C=CCCn1cc(C[S@](=O)CCc2csc(C)n2)nn1 ZINC000593939329 358175069 /nfs/dbraw/zinc/17/50/69/358175069.db2.gz WZOZBGSIIZJJQZ-HXUWFJFHSA-N 0 0 310.448 2.111 10 30 DEEERN C=CCC[C@@H](NC(=O)c1ccn(C(C)(C)C)n1)C(=O)OCC ZINC000594368724 358249860 /nfs/dbraw/zinc/24/98/60/358249860.db2.gz CUJWMAJDMRQOFG-CYBMUJFWSA-N 0 0 307.394 2.266 10 30 DEEERN C=CCNC(=O)NC(=O)[C@H](C)Nc1cc(C)c(C)cc1OC ZINC000594660232 358313257 /nfs/dbraw/zinc/31/32/57/358313257.db2.gz KGPFXJKMVWBNFQ-LBPRGKRZSA-N 0 0 305.378 2.124 10 30 DEEERN C=CCCn1cc(CNc2cc([N+](=O)[O-])ccc2OC)nn1 ZINC000594549327 358292966 /nfs/dbraw/zinc/29/29/66/358292966.db2.gz MQMCGJIBBFYBOB-UHFFFAOYSA-N 0 0 303.322 2.383 10 30 DEEERN C=CCCn1cc(CSCC(=O)N(C)Cc2ccco2)nn1 ZINC000594563706 358295101 /nfs/dbraw/zinc/29/51/01/358295101.db2.gz FPXAMSRGLUVHOT-UHFFFAOYSA-N 0 0 320.418 2.339 10 30 DEEERN C=C[C@H](NC[C@H]1CCCc2ccc(C(=O)OC)cc21)C(=O)OC ZINC000594719596 358324832 /nfs/dbraw/zinc/32/48/32/358324832.db2.gz DOLCLXKSDKOSIU-ZBFHGGJFSA-N 0 0 317.385 2.210 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000594789560 358337608 /nfs/dbraw/zinc/33/76/08/358337608.db2.gz NHJKOBOODNBOOP-WFASDCNBSA-N 0 0 305.403 2.366 10 30 DEEERN C=CCN([C@@H](C)COC)S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000594813318 358341737 /nfs/dbraw/zinc/34/17/37/358341737.db2.gz PKGQLKHBQUEHHI-AWEZNQCLSA-N 0 0 322.430 2.105 10 30 DEEERN C=CCOCCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000596472356 358693884 /nfs/dbraw/zinc/69/38/84/358693884.db2.gz GBNIXTUCHVRIID-UHFFFAOYSA-N 0 0 305.334 2.484 10 30 DEEERN C=C(CNC(=O)N(C)[C@H]1C[C@@H](C(=O)OC)C1)c1ccccc1 ZINC000596602024 358722767 /nfs/dbraw/zinc/72/27/67/358722767.db2.gz VYJOUOXXZUYYHW-GASCZTMLSA-N 0 0 302.374 2.293 10 30 DEEERN C=CCOCCCNC(=O)Nc1cccc(C(=O)OC)c1C ZINC000596684711 358740578 /nfs/dbraw/zinc/74/05/78/358740578.db2.gz YBWLGHQAWFPAJD-UHFFFAOYSA-N 0 0 306.362 2.496 10 30 DEEERN C=CCOCCCNC(=O)Nc1cccc(C(=O)OC)c1OC ZINC000596945038 358791377 /nfs/dbraw/zinc/79/13/77/358791377.db2.gz JWIGTRIKVADMPK-UHFFFAOYSA-N 0 0 322.361 2.196 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(C)c(C(=O)OC)c1 ZINC000597332703 358890677 /nfs/dbraw/zinc/89/06/77/358890677.db2.gz HENALMGAJPUNED-HNNXBMFYSA-N 0 0 318.373 2.191 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000597863899 359027753 /nfs/dbraw/zinc/02/77/53/359027753.db2.gz IQKPQMGINDGENT-CHWSQXEVSA-N 0 0 306.366 2.351 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](C(C)=O)C(=O)OCC ZINC000597863364 359027880 /nfs/dbraw/zinc/02/78/80/359027880.db2.gz FDRZXEAUKWNLDX-ILXRZTDVSA-N 0 0 309.406 2.396 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cnc(C(=O)OC)cn1 ZINC000597863525 359028014 /nfs/dbraw/zinc/02/80/14/359028014.db2.gz FYKFOGRFUWWTPQ-VXGBXAGGSA-N 0 0 303.362 2.128 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1nc(-c2cccs2)oc1C ZINC000185749392 199884342 /nfs/dbraw/zinc/88/43/42/199884342.db2.gz ZWSNGKWZKBQCOP-NSHDSACASA-N 0 0 306.387 2.307 10 30 DEEERN C=C(C)C(C)(C)C(=O)N1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000598150591 359108155 /nfs/dbraw/zinc/10/81/55/359108155.db2.gz ZTUNRANCCLNPFR-FZKQIMNGSA-N 0 0 323.433 2.405 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(Cl)ccc1OCCOC ZINC000185918323 199904435 /nfs/dbraw/zinc/90/44/35/199904435.db2.gz CWYHAPJJPUFVKU-GFCCVEGCSA-N 0 0 313.781 2.032 10 30 DEEERN COc1ccc(NC(=O)NC[C@H](C)C#N)c(C(F)(F)F)n1 ZINC000618905190 363631583 /nfs/dbraw/zinc/63/15/83/363631583.db2.gz ZHBJVDQOJCZZQF-SSDOTTSWSA-N 0 0 302.256 2.390 10 30 DEEERN C=C[C@@](C)(O)C(=O)Nc1nc(C(C)C)c(C(=O)OCC)s1 ZINC000598695604 359294834 /nfs/dbraw/zinc/29/48/34/359294834.db2.gz SZLKECFXERKXAU-CQSZACIVSA-N 0 0 312.391 2.319 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@@H](C)CCSCC ZINC000598814721 359332615 /nfs/dbraw/zinc/33/26/15/359332615.db2.gz GXKOKBDWEXNLRU-JSGCOSHPSA-N 0 0 300.468 2.447 10 30 DEEERN CC(=O)N1CCc2c(C#N)c(NC(=O)C3=CCC3)sc2C1 ZINC000598892221 359351732 /nfs/dbraw/zinc/35/17/32/359351732.db2.gz WKLFFPBGGGQWEM-UHFFFAOYSA-N 0 0 301.371 2.183 10 30 DEEERN C=C[C@@H](C)NC(=O)N1CCc2c(F)ccc(C(=O)OC)c2C1 ZINC000599004696 359380885 /nfs/dbraw/zinc/38/08/85/359380885.db2.gz NWCYXNAGEZPKLD-SNVBAGLBSA-N 0 0 306.337 2.255 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 ZINC000599120505 359407396 /nfs/dbraw/zinc/40/73/96/359407396.db2.gz DUEBHICAEAPAHP-UONOGXRCSA-N 0 0 308.422 2.429 10 30 DEEERN C=C[C@H](N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C(=O)OC ZINC000599543452 359520475 /nfs/dbraw/zinc/52/04/75/359520475.db2.gz AXJPWJBAVVNGLJ-DMDPSCGWSA-N 0 0 315.291 2.238 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)C1 ZINC000599378250 359483472 /nfs/dbraw/zinc/48/34/72/359483472.db2.gz JJQSKQXKSWCHCR-HNNXBMFYSA-N 0 0 304.415 2.480 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccccc1OCC(F)F ZINC000186663351 199987940 /nfs/dbraw/zinc/98/79/40/199987940.db2.gz MFXORBXHQGJCAJ-SNVBAGLBSA-N 0 0 300.305 2.389 10 30 DEEERN C=CCCn1cc(CN2CC[C@H](C(=O)OC)[C@@H]3CCC[C@@H]32)nn1 ZINC000599644780 359553625 /nfs/dbraw/zinc/55/36/25/359553625.db2.gz BUHRVTXGBVYIEQ-JYJNAYRXSA-N 0 0 318.421 2.018 10 30 DEEERN CCC1(CC)CN(C(=O)c2ccc(C#N)cc2)CC[S@@]1=O ZINC000186760642 200005684 /nfs/dbraw/zinc/00/56/84/200005684.db2.gz ATGAUDUMCANXFC-NRFANRHFSA-N 0 0 304.415 2.322 10 30 DEEERN C=CCc1cc(CN2CCO[C@@]3(CCOC3)C2)cc(OC)c1O ZINC000187533811 200125175 /nfs/dbraw/zinc/12/51/75/200125175.db2.gz YCHCBQOPGGKUEE-SFHVURJKSA-N 0 0 319.401 2.121 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCc1ccc(CC(=O)OC)cc1 ZINC000600228130 359697273 /nfs/dbraw/zinc/69/72/73/359697273.db2.gz XKLQWGCBBJPGST-SFHVURJKSA-N 0 0 319.401 2.247 10 30 DEEERN C=CCCOCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000600483505 359751731 /nfs/dbraw/zinc/75/17/31/359751731.db2.gz FRMCFJMOALMARU-LRAJWGHMSA-N 0 0 313.463 2.261 10 30 DEEERN C#CCOc1ccccc1NC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000188054246 200187083 /nfs/dbraw/zinc/18/70/83/200187083.db2.gz BIVJIYCMCRAIFE-ZFWWWQNUSA-N 0 0 302.374 2.371 10 30 DEEERN C#CCOc1ccccc1NC(=O)N1CCC[C@H](C(=O)OC)C1 ZINC000188096619 200192781 /nfs/dbraw/zinc/19/27/81/200192781.db2.gz DZOMECQQYHEMJF-ZDUSSCGKSA-N 0 0 316.357 2.116 10 30 DEEERN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCO[C@@H]1C ZINC000188200640 200207894 /nfs/dbraw/zinc/20/78/94/200207894.db2.gz LHMWUHYTDHQRJB-PBHICJAKSA-N 0 0 316.401 2.348 10 30 DEEERN N#Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)cc1O ZINC000188597693 200272181 /nfs/dbraw/zinc/27/21/81/200272181.db2.gz LEHXHZHZBADKFM-LSDHHAIUSA-N 0 0 310.357 2.374 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cccc(CC(=O)OCC)c2)C1=O ZINC000600948181 359868105 /nfs/dbraw/zinc/86/81/05/359868105.db2.gz HOIOMLIPUYGBLT-CQSZACIVSA-N 0 0 316.357 2.183 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccnn2[C@@H](C)C2CC2)C1 ZINC000627733884 366603570 /nfs/dbraw/zinc/60/35/70/366603570.db2.gz GRCJKKHHGOYSHH-STQMWFEESA-N 0 0 316.405 2.217 10 30 DEEERN C=C(C)C[C@@H](NS(=O)(=O)c1cc(C)c(C)s1)C(=O)OC ZINC000601502155 360055603 /nfs/dbraw/zinc/05/56/03/360055603.db2.gz MAGNOUCDAZOCPG-LLVKDONJSA-N 0 0 317.432 2.151 10 30 DEEERN C=CCSCCNC(=O)NCc1cc(C)c(C(=O)OC)o1 ZINC000601568870 360075623 /nfs/dbraw/zinc/07/56/23/360075623.db2.gz VLRRTPLRDYUHHX-UHFFFAOYSA-N 0 0 312.391 2.093 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc2c(c1)OCCCO2)C(=O)OC ZINC000601770789 360140330 /nfs/dbraw/zinc/14/03/30/360140330.db2.gz FIGFJANRVUJVHN-CYBMUJFWSA-N 0 0 319.357 2.086 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(-c2ccco2)on1)C(=O)OC ZINC000601778686 360144571 /nfs/dbraw/zinc/14/45/71/360144571.db2.gz PERRZSYQLGTMEU-LLVKDONJSA-N 0 0 304.302 2.172 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1CCC(=O)c2ccccc21)C(=O)OC ZINC000601781068 360145517 /nfs/dbraw/zinc/14/55/17/360145517.db2.gz GVNKOSBXNUHFDC-CABCVRRESA-N 0 0 315.369 2.371 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cc1cnc2ccccc2c1)C(=O)OC ZINC000601781124 360145558 /nfs/dbraw/zinc/14/55/58/360145558.db2.gz GZUQWXRMHYCLNQ-INIZCTEOSA-N 0 0 312.369 2.401 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H](OC)c1ccc(F)cc1)C(=O)OC ZINC000601784917 360148959 /nfs/dbraw/zinc/14/89/59/360148959.db2.gz OEMAMYXYADZHRH-ZIAGYGMSSA-N 0 0 309.337 2.137 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)OC ZINC000601786039 360149845 /nfs/dbraw/zinc/14/98/45/360149845.db2.gz PACCDNFWGLSZLG-ZDUSSCGKSA-N 0 0 306.318 2.141 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000189333713 200384251 /nfs/dbraw/zinc/38/42/51/200384251.db2.gz ZTTGRBAGHSERSY-MLGOLLRUSA-N 0 0 306.410 2.020 10 30 DEEERN C=C(C)C[C@H](NCc1cn(-c2ccc(F)cc2)nn1)C(=O)OC ZINC000602737422 360528460 /nfs/dbraw/zinc/52/84/60/360528460.db2.gz BVYAIRAHCCDWER-HNNXBMFYSA-N 0 0 318.352 2.004 10 30 DEEERN C=C(C)[C@@H](CO)N[C@@H](Cc1cccc(Cl)c1)C(=O)OCC ZINC000602937234 360634580 /nfs/dbraw/zinc/63/45/80/360634580.db2.gz IFYMJUIWBRFAQP-LSDHHAIUSA-N 0 0 311.809 2.341 10 30 DEEERN C[C@H](C#N)CN(C)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000609147746 361283884 /nfs/dbraw/zinc/28/38/84/361283884.db2.gz BZWGHXLRDVBLFS-CYBMUJFWSA-N 0 0 302.378 2.147 10 30 DEEERN CC(C)c1cc(N2CCN(c3ncccc3C#N)CC2)ncn1 ZINC000609495302 361315552 /nfs/dbraw/zinc/31/55/52/361315552.db2.gz PDKWCOVSYUEFQW-UHFFFAOYSA-N 0 0 308.389 2.193 10 30 DEEERN CC(C)C(=O)N1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000609893603 361347837 /nfs/dbraw/zinc/34/78/37/361347837.db2.gz ZWBVIYVWXIASPS-UHFFFAOYSA-N 0 0 308.385 2.411 10 30 DEEERN CCc1cc(CNC(=O)NCc2ccc(C#N)cc2F)on1 ZINC000610166078 361364970 /nfs/dbraw/zinc/36/49/70/361364970.db2.gz MKPQHJRGXZLBJF-UHFFFAOYSA-N 0 0 302.309 2.247 10 30 DEEERN COc1nc(C)cc(C)c1CNC(=O)Cc1cccc(C#N)c1 ZINC000610521063 361415197 /nfs/dbraw/zinc/41/51/97/361415197.db2.gz FFUXCFKOWYFWKN-UHFFFAOYSA-N 0 0 309.369 2.438 10 30 DEEERN C=CC(C)(C)CCNC(=O)CN1c2ccccc2OCC1=O ZINC000628318319 366807753 /nfs/dbraw/zinc/80/77/53/366807753.db2.gz XWXIZGGJHSSLFS-UHFFFAOYSA-N 0 0 302.374 2.131 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1ccccc1OCC(=O)N(C)C ZINC000628318350 366808208 /nfs/dbraw/zinc/80/82/08/366808208.db2.gz ZMGBWEADRGSCOF-UHFFFAOYSA-N 0 0 318.417 2.486 10 30 DEEERN CO[C@H]1C[C@H](NC(=O)NCc2ccc(C#N)cc2F)C1(C)C ZINC000610651419 361437944 /nfs/dbraw/zinc/43/79/44/361437944.db2.gz ALNNSQGLAYJOFQ-KBPBESRZSA-N 0 0 305.353 2.310 10 30 DEEERN N#Cc1ccc(N2CCN(c3ccc4ccccc4n3)CC2)nn1 ZINC000611241783 361559488 /nfs/dbraw/zinc/55/94/88/361559488.db2.gz OGXWKBUEDYZJHP-UHFFFAOYSA-N 0 0 316.368 2.223 10 30 DEEERN N#Cc1ccc(CNC(=O)[C@@H](O)CCc2ccccc2)c(F)c1 ZINC000611214581 361552109 /nfs/dbraw/zinc/55/21/09/361552109.db2.gz IDTZTHXPDDMJKM-KRWDZBQOSA-N 0 0 312.344 2.307 10 30 DEEERN C[C@@H](O)[C@](C)(CNC(=O)c1ccnc(C#N)c1)Cc1ccccc1 ZINC000194346097 201208151 /nfs/dbraw/zinc/20/81/51/201208151.db2.gz GXDZTTDGNOFNEH-KUHUBIRLSA-N 0 0 323.396 2.313 10 30 DEEERN C=CCOCCNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000611544979 361626915 /nfs/dbraw/zinc/62/69/15/361626915.db2.gz HSDGVHJSPOBCOV-INIZCTEOSA-N 0 0 302.374 2.280 10 30 DEEERN CC1(C#N)CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611561442 361631916 /nfs/dbraw/zinc/63/19/16/361631916.db2.gz YONGMYKXVTVEEM-UHFFFAOYSA-N 0 0 317.345 2.492 10 30 DEEERN C=CC[C@@H]1CCCN(c2nnc(COC)n2C[C@H]2CCCO2)C1 ZINC000611875586 361698673 /nfs/dbraw/zinc/69/86/73/361698673.db2.gz UBGJGOQLVISFAM-HUUCEWRRSA-N 0 0 320.437 2.396 10 30 DEEERN C[C@@H](C(=O)Nc1cnc(-c2ccccc2)s1)n1cnc(C#N)n1 ZINC000619598353 363837920 /nfs/dbraw/zinc/83/79/20/363837920.db2.gz FEVMNCIGRJQVOT-JTQLQIEISA-N 0 0 324.369 2.473 10 30 DEEERN CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccoc2C2CC2)CC1 ZINC000619611859 363840101 /nfs/dbraw/zinc/84/01/01/363840101.db2.gz RHOPZTSATUEWFV-OAHLLOKOSA-N 0 0 301.390 2.463 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2sccn2c1=O ZINC000620313773 364014391 /nfs/dbraw/zinc/01/43/91/364014391.db2.gz CGOFHWLNSFPLJS-PHIMTYICSA-N 0 0 301.371 2.079 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1ccccc1OC ZINC000620317059 364015059 /nfs/dbraw/zinc/01/50/59/364015059.db2.gz FUEARBXDUWLBBQ-OKILXGFUSA-N 0 0 314.385 2.135 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](O)Cc1cccc(OC)c1 ZINC000620303720 364012979 /nfs/dbraw/zinc/01/29/79/364012979.db2.gz BPLJDDMHARGDTM-UXLLHSPISA-N 0 0 301.386 2.308 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(-c2ccccn2)c1N ZINC000620303612 364013004 /nfs/dbraw/zinc/01/30/04/364013004.db2.gz XFCWFFQKVFCEEP-BETUJISGSA-N 0 0 309.373 2.173 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000620314856 364015358 /nfs/dbraw/zinc/01/53/58/364015358.db2.gz SQTVHMVGXULDNF-KFWWJZLASA-N 0 0 314.385 2.338 10 30 DEEERN C=C[C@H](CO)NC(=O)C1(c2ccc(C)c(C)c2)CCOCC1 ZINC000620592833 364087845 /nfs/dbraw/zinc/08/78/45/364087845.db2.gz ZKOQYGXYWGEUTH-MRXNPFEDSA-N 0 0 303.402 2.015 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000620782414 364155666 /nfs/dbraw/zinc/15/56/66/364155666.db2.gz FXPQXJILLSVIRL-YPMHNXCESA-N 0 0 309.328 2.395 10 30 DEEERN CS(=O)(=O)[C@@H]1CSCCN1c1ccc(Cl)cc1C#N ZINC000090925100 192949824 /nfs/dbraw/zinc/94/98/24/192949824.db2.gz NCTQNGQTVJBWNV-GFCCVEGCSA-N 0 0 316.835 2.136 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@@H](c1ccncc1)C1(CO)CCC1 ZINC000621028344 364229551 /nfs/dbraw/zinc/22/95/51/364229551.db2.gz GQJCOEPNOPXBEW-HOCLYGCPSA-N 0 0 318.417 2.383 10 30 DEEERN C=CCN(CC=C)C(=O)CN(C)Cc1c(C)cc(C)nc1OC ZINC000621392648 364388024 /nfs/dbraw/zinc/38/80/24/364388024.db2.gz ROBGPUTXHAFNSS-UHFFFAOYSA-N 0 0 317.433 2.339 10 30 DEEERN C=CC[C@H](CC)NC(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621518122 364435448 /nfs/dbraw/zinc/43/54/48/364435448.db2.gz ROQWMGIHGMMXRT-DZGCQCFKSA-N 0 0 322.430 2.310 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CSc2nnnn2C2CCCC2)C1 ZINC000628484026 366863963 /nfs/dbraw/zinc/86/39/63/366863963.db2.gz CBCSZMTVHIAZFL-LBPRGKRZSA-N 0 0 321.450 2.305 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CN2c3ccccc3O[C@H](C)C2=O)C1 ZINC000628484066 366864187 /nfs/dbraw/zinc/86/41/87/366864187.db2.gz CYYQWBOOXIVMSU-ZIAGYGMSSA-N 0 0 314.385 2.225 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C)c2ccc(F)cc21 ZINC000622815975 364802206 /nfs/dbraw/zinc/80/22/06/364802206.db2.gz OBUCHXZVSVNPCR-AWEZNQCLSA-N 0 0 319.380 2.079 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccccc1CCOC ZINC000622850718 364811666 /nfs/dbraw/zinc/81/16/66/364811666.db2.gz SLUSJAGVHKDHHM-MRXNPFEDSA-N 0 0 304.390 2.285 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc(C)cc(C2CC2)n1 ZINC000622873465 364817602 /nfs/dbraw/zinc/81/76/02/364817602.db2.gz OYSJNPOBZRVRSF-AWEZNQCLSA-N 0 0 302.378 2.072 10 30 DEEERN C=CCCCCNC(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC000623898391 365213468 /nfs/dbraw/zinc/21/34/68/365213468.db2.gz HLTWJIMMQVYGGJ-UHFFFAOYSA-N 0 0 303.362 2.287 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000624462807 365430226 /nfs/dbraw/zinc/43/02/26/365430226.db2.gz FNSCNETVVPMOGJ-LSDHHAIUSA-N 0 0 309.454 2.093 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000624462806 365430397 /nfs/dbraw/zinc/43/03/97/365430397.db2.gz FNSCNETVVPMOGJ-HUUCEWRRSA-N 0 0 309.454 2.093 10 30 DEEERN C=CCCCCCN(C)C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000449914412 241251941 /nfs/dbraw/zinc/25/19/41/241251941.db2.gz LZDUGTRCORGSRR-UHFFFAOYSA-N 0 0 305.422 2.342 10 30 DEEERN C=CCN1CC[C@H](Nc2ccc3c(c2)[C@@H](C)CC(=O)N3C)C1=O ZINC000629270450 367143762 /nfs/dbraw/zinc/14/37/62/367143762.db2.gz HCGMYFSOJXQYMT-WFASDCNBSA-N 0 0 313.401 2.355 10 30 DEEERN C=C1CC(C)(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000630409618 367637991 /nfs/dbraw/zinc/63/79/91/367637991.db2.gz DGFTVBZPCLVVKE-UHFFFAOYSA-N 0 0 308.403 2.232 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2ccc3c(c2)OCCCO3)C1=O ZINC000630507596 367696304 /nfs/dbraw/zinc/69/63/04/367696304.db2.gz WWBRYNMVELIYRA-LBPRGKRZSA-N 0 0 302.330 2.239 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2ccc(OC)c(OC)c2OC)C1=O ZINC000630513671 367699589 /nfs/dbraw/zinc/69/95/89/367699589.db2.gz RJBYALASHWOXSM-JTQLQIEISA-N 0 0 320.345 2.103 10 30 DEEERN C=C1CC(C)(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)C1 ZINC000630786488 367845114 /nfs/dbraw/zinc/84/51/14/367845114.db2.gz PKCIKEXJZJSMHS-UHFFFAOYSA-N 0 0 307.415 2.204 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCN2c3ccccc3C[C@H]2C)C1=O ZINC000630969469 367942609 /nfs/dbraw/zinc/94/26/09/367942609.db2.gz ILMSYBZADJUMHY-HIFRSBDPSA-N 0 0 313.401 2.324 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@H]2OCCc3ccccc32)C1=O ZINC000630972083 367944186 /nfs/dbraw/zinc/94/41/86/367944186.db2.gz FUSFOIWCIKEWDL-HUUCEWRRSA-N 0 0 300.358 2.187 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H](CCCO)c2ccccc2)C1=O ZINC000630980848 367948398 /nfs/dbraw/zinc/94/83/98/367948398.db2.gz DJFCVMZCASTJPU-LSDHHAIUSA-N 0 0 302.374 2.387 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2CCc3cc(O)ccc3C2)C1=O ZINC000630981049 367948604 /nfs/dbraw/zinc/94/86/04/367948604.db2.gz FBRQPFLRXNZEFC-ZFWWWQNUSA-N 0 0 300.358 2.136 10 30 DEEERN OCC#CCNc1ncc(Br)cc1C(F)(F)F ZINC000631262896 368110338 /nfs/dbraw/zinc/11/03/38/368110338.db2.gz CCHPLOOEDFDOFK-UHFFFAOYSA-N 0 0 309.085 2.271 10 30 DEEERN C=C1CC(C)(C(=O)N(C)C[C@@H](O)COCc2ccccc2)C1 ZINC000631606900 368309113 /nfs/dbraw/zinc/30/91/13/368309113.db2.gz ZETOQIKUNUHGOT-MRXNPFEDSA-N 0 0 303.402 2.379 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC[C@H](C)CCO ZINC000452248169 244073757 /nfs/dbraw/zinc/07/37/57/244073757.db2.gz ORUHGEHXVNNBRG-YOEHRIQHSA-N 0 0 318.417 2.486 10 30 DEEERN N#C[C@H]1COCCN1Cc1cccc(OCc2ccccn2)c1 ZINC000093457101 193255392 /nfs/dbraw/zinc/25/53/92/193255392.db2.gz NPNYJUZULROHFQ-KRWDZBQOSA-N 0 0 309.369 2.385 10 30 DEEERN N#Cc1ccc(C(=O)NCC(=O)NCC2CCCCCC2)cc1 ZINC000452782768 244600428 /nfs/dbraw/zinc/60/04/28/244600428.db2.gz BNEGQOIGODXOLC-UHFFFAOYSA-N 0 0 313.401 2.375 10 30 DEEERN N#Cc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000093534382 193266836 /nfs/dbraw/zinc/26/68/36/193266836.db2.gz IMKMCAJWIALGLV-NSHDSACASA-N 0 0 313.317 2.141 10 30 DEEERN C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)S(=O)(=O)C1 ZINC000093634735 193278314 /nfs/dbraw/zinc/27/83/14/193278314.db2.gz JLHYMQBZELXBNI-QMMMGPOBSA-N 0 0 304.293 2.363 10 30 DEEERN Cc1cc(=O)[nH]c(S[C@@H]2CCC[C@@](C#N)(NC3CC3)C2)n1 ZINC000093746982 193299654 /nfs/dbraw/zinc/29/96/54/193299654.db2.gz IRLIHEVOKFLOKY-IUODEOHRSA-N 0 0 304.419 2.127 10 30 DEEERN CCN[C@@]1(C#N)CCC[C@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093747299 193300013 /nfs/dbraw/zinc/30/00/13/193300013.db2.gz UJNBFSXYPPNVNN-HZMBPMFUSA-N 0 0 302.407 2.259 10 30 DEEERN CN(C)c1ccc(NC(=O)c2csc(C#CCO)c2)cc1 ZINC000093974096 193332765 /nfs/dbraw/zinc/33/27/65/193332765.db2.gz MQWWCCLRKQTGOJ-UHFFFAOYSA-N 0 0 300.383 2.410 10 30 DEEERN O=C(NCCc1cccc(F)c1)c1csc(C#CCO)c1 ZINC000093973930 193333141 /nfs/dbraw/zinc/33/31/41/193333141.db2.gz FJIPBNZHWYZSKS-UHFFFAOYSA-N 0 0 303.358 2.204 10 30 DEEERN N#CCCN(CCC#N)C(=O)c1ccc(Br)cc1N ZINC000094044704 193340691 /nfs/dbraw/zinc/34/06/91/193340691.db2.gz JBFPKNRSMUIQMN-UHFFFAOYSA-N 0 0 321.178 2.301 10 30 DEEERN C[C@H]1OCC[C@H]1C(=O)Nc1cc(C#CCCO)ccc1Cl ZINC000094179970 193347090 /nfs/dbraw/zinc/34/70/90/193347090.db2.gz SLKNXYUMHBHONV-DGCLKSJQSA-N 0 0 307.777 2.437 10 30 DEEERN CCN(CCC#N)S(=O)(=O)c1cc(N)c(C)cc1Cl ZINC000094638121 193387113 /nfs/dbraw/zinc/38/71/13/193387113.db2.gz WNIGBDWQWLNRAT-UHFFFAOYSA-N 0 0 301.799 2.155 10 30 DEEERN CC[C@@H]1COCCN1C(=O)c1cc(C)c(C#CCCO)s1 ZINC000094533915 193377143 /nfs/dbraw/zinc/37/71/43/193377143.db2.gz VQOQWVQORXEZNH-CYBMUJFWSA-N 0 0 307.415 2.041 10 30 DEEERN CC(C)n1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)n[nH]c1=O ZINC000094593741 193381624 /nfs/dbraw/zinc/38/16/24/193381624.db2.gz BYKPMUJBIOBDFC-UHFFFAOYSA-N 0 0 305.319 2.083 10 30 DEEERN Cc1cc(Cl)c(N)cc1S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000094832653 193402441 /nfs/dbraw/zinc/40/24/41/193402441.db2.gz VZYIBWVYMOFJHU-VIFPVBQESA-N 0 0 301.799 2.153 10 30 DEEERN Cc1ccc(C(=O)NCc2cc(C#CCO)cs2)c(F)c1 ZINC000094919636 193406206 /nfs/dbraw/zinc/40/62/06/193406206.db2.gz PNRMJPOMELBYAH-UHFFFAOYSA-N 0 0 303.358 2.469 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(C#N)cc1F ZINC000191170344 284215106 /nfs/dbraw/zinc/21/51/06/284215106.db2.gz KEZLBQMNLIVHRW-INWMFGNUSA-N 0 0 302.349 2.471 10 30 DEEERN COc1ccc(C#CCNS(=O)(=O)c2cccc(F)c2)cc1 ZINC000096351744 193615542 /nfs/dbraw/zinc/61/55/42/193615542.db2.gz TWDQPEHBVDDHJZ-UHFFFAOYSA-N 0 0 319.357 2.164 10 30 DEEERN CC(C)S(=O)(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000096352414 193615606 /nfs/dbraw/zinc/61/56/06/193615606.db2.gz GXUIFLSMXWIEFD-UHFFFAOYSA-N 0 0 305.321 2.385 10 30 DEEERN C=C(C)Cn1c(N2CCSCC2)nnc1[C@]1(C)CCCO1 ZINC000453466511 245156138 /nfs/dbraw/zinc/15/61/38/245156138.db2.gz OFRACOHSKZOUNV-HNNXBMFYSA-N 0 0 308.451 2.433 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccc2c(c1)CCCC2=O ZINC000453736992 245269987 /nfs/dbraw/zinc/26/99/87/245269987.db2.gz MDXLJKPOKKKETC-UHFFFAOYSA-N 0 0 300.358 2.227 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NCC[C@H](C)CCO ZINC000453788558 245290589 /nfs/dbraw/zinc/29/05/89/245290589.db2.gz 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/nfs/dbraw/zinc/54/34/95/248543495.db2.gz SMMHDCIWWBWQLM-ILXRZTDVSA-N 0 0 306.410 2.209 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N(C)Cc1cc(C)ccc1C ZINC000459820429 248680989 /nfs/dbraw/zinc/68/09/89/248680989.db2.gz XTOWXYDFRCWOAU-UHFFFAOYSA-N 0 0 300.402 2.462 10 30 DEEERN C=C(C)C(=O)NCCc1nc2ccccc2n1CCOCC ZINC000040203795 183045313 /nfs/dbraw/zinc/04/53/13/183045313.db2.gz ASYWGXMWCNMPMW-UHFFFAOYSA-N 0 0 301.390 2.308 10 30 DEEERN C=CCNc1ncnc(Nc2ccc(OC)cc2OC)c1N ZINC000040708901 183121142 /nfs/dbraw/zinc/12/11/42/183121142.db2.gz SWPGLHIQLXFAEX-UHFFFAOYSA-N 0 0 301.350 2.418 10 30 DEEERN N#CC1CCN(C(=O)c2cc([N+](=O)[O-])c(F)c(F)c2F)CC1 ZINC000041110864 183166483 /nfs/dbraw/zinc/16/64/83/183166483.db2.gz HGAJJKNSIWOUCX-UHFFFAOYSA-N 0 0 313.235 2.388 10 30 DEEERN COc1cc(Cl)ccc1C(=O)Nc1ncc(C#CCO)s1 ZINC000043565917 183371797 /nfs/dbraw/zinc/37/17/97/183371797.db2.gz ACCJMLYCZDVVLT-UHFFFAOYSA-N 0 0 322.773 2.401 10 30 DEEERN CO[C@@H]1C[C@@H](CO)N(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000284593345 218093839 /nfs/dbraw/zinc/09/38/39/218093839.db2.gz QJVUCVSDPRVCRN-NWDGAFQWSA-N 0 0 300.280 2.163 10 30 DEEERN N#Cc1ccc(CN2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c(F)c1 ZINC000284648845 218115061 /nfs/dbraw/zinc/11/50/61/218115061.db2.gz NCLVVJFEIMGRIF-OIISXLGYSA-N 0 0 304.365 2.059 10 30 DEEERN C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000284790578 218179224 /nfs/dbraw/zinc/17/92/24/218179224.db2.gz MDPODTFFYOYMIC-NXHRZFHOSA-N 0 0 318.392 2.449 10 30 DEEERN Cn1ncc(C#N)c1NC(=O)c1ccc(Br)s1 ZINC000106067909 194183762 /nfs/dbraw/zinc/18/37/62/194183762.db2.gz KNGXAGWZNGXFCZ-UHFFFAOYSA-N 0 0 311.164 2.368 10 30 DEEERN CC[C@H](C#N)N1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000109446202 194264055 /nfs/dbraw/zinc/26/40/55/194264055.db2.gz HNQSVSHJEIIJKX-CQSZACIVSA-N 0 0 305.809 2.329 10 30 DEEERN C#CCOC[C@@H]1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000056923081 184021661 /nfs/dbraw/zinc/02/16/61/184021661.db2.gz GYMGAJYOKVYUQX-CQSZACIVSA-N 0 0 316.357 2.405 10 30 DEEERN C=CCNC(=O)[C@H](C)Oc1ccc(C=O)cc1Br ZINC000058615345 184125161 /nfs/dbraw/zinc/12/51/61/184125161.db2.gz XLRPISWORDUJQJ-VIFPVBQESA-N 0 0 312.163 2.331 10 30 DEEERN O=C(NCc1ccccc1Cl)c1ccc(C#CCO)cn1 ZINC000061860775 184190157 /nfs/dbraw/zinc/19/01/57/184190157.db2.gz PUDZZNUNNCHMDQ-UHFFFAOYSA-N 0 0 300.745 2.009 10 30 DEEERN C[C@@H](C(=O)Nc1cc(Br)ccc1Cl)/C(N)=N/O ZINC000061693356 184183427 /nfs/dbraw/zinc/18/34/27/184183427.db2.gz VNGLIVUMKXELTE-RXMQYKEDSA-N 0 0 320.574 2.424 10 30 DEEERN Cc1nc(Cl)sc1S(=O)(=O)N[C@H]1CCC[C@H]1C#N ZINC000061890349 184192934 /nfs/dbraw/zinc/19/29/34/184192934.db2.gz FLUVSQUYCOCPSZ-YUMQZZPRSA-N 0 0 305.812 2.076 10 30 DEEERN Cc1cc(N2CCC(N(C)c3ncccc3C#N)CC2)nc(C)n1 ZINC000069485672 184518587 /nfs/dbraw/zinc/51/85/87/184518587.db2.gz SPOKICDYMYUDQW-UHFFFAOYSA-N 0 0 322.416 2.465 10 30 DEEERN N#Cc1ccc(CN(C(=O)NCCc2cn[nH]c2)C2CC2)cc1 ZINC000360288733 207397871 /nfs/dbraw/zinc/39/78/71/207397871.db2.gz FKLJGHZYBZRXFG-UHFFFAOYSA-N 0 0 309.373 2.198 10 30 DEEERN Cn1ccnc1-c1csc(NC(=O)c2cc(C#N)cn2C)n1 ZINC000119158821 194984942 /nfs/dbraw/zinc/98/49/42/194984942.db2.gz DFVZIVFCOYGVQK-UHFFFAOYSA-N 0 0 312.358 2.006 10 30 DEEERN CC(=O)c1ccc(C#N)c(N2CCCN(c3cccnn3)CC2)c1 ZINC000273167826 210545338 /nfs/dbraw/zinc/54/53/38/210545338.db2.gz DDSJQAKVLQJVTE-UHFFFAOYSA-N 0 0 321.384 2.268 10 30 DEEERN COc1ccnc(N2CCN(CC#Cc3ccccc3)CC2)c1 ZINC000191996359 533067160 /nfs/dbraw/zinc/06/71/60/533067160.db2.gz GWBGARADMISDPF-UHFFFAOYSA-N 0 0 307.397 2.264 10 30 DEEERN C=CCS(=O)(=O)CCNC(=O)C[C@H]1CCCc2ccccc21 ZINC000272910077 210296573 /nfs/dbraw/zinc/29/65/73/210296573.db2.gz HPDRRIOSMZTODL-OAHLLOKOSA-N 0 0 321.442 2.214 10 30 DEEERN C#C[C@@H](NN)c1cc(Br)ccc1Br ZINC000158106767 197244871 /nfs/dbraw/zinc/24/48/71/197244871.db2.gz UKAWLGMRPANADW-SECBINFHSA-N 0 0 303.985 2.349 10 30 DEEERN CC(C)[C@@](C)(C#N)NC(=O)CN1CCO[C@H](c2cccs2)C1 ZINC000158083304 197242658 /nfs/dbraw/zinc/24/26/58/197242658.db2.gz VKYHFOGMMWFUCK-XJKSGUPXSA-N 0 0 321.446 2.176 10 30 DEEERN CC[C@@H]1CN(C(=O)c2cc(C)ccc2C#CCO)CCS1 ZINC000157974797 197232029 /nfs/dbraw/zinc/23/20/29/197232029.db2.gz JVCRHOIWIVXHNQ-OAHLLOKOSA-N 0 0 303.427 2.306 10 30 DEEERN COCCOC[C@@H]1CCN(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000440985725 533112435 /nfs/dbraw/zinc/11/24/35/533112435.db2.gz MTLKXVGRNNLRCS-UYSNPLJNSA-N 0 0 323.437 2.011 10 30 DEEERN CC[C@@H]1CN(C(=O)c2ccc(C#CCO)c(F)c2)CCS1 ZINC000157968092 197230920 /nfs/dbraw/zinc/23/09/20/197230920.db2.gz IDEMNEPCDUVNBP-CQSZACIVSA-N 0 0 307.390 2.137 10 30 DEEERN CS(=O)(=O)c1csc(C(=O)Nc2ccc(C#N)cc2)c1 ZINC000157741984 197211855 /nfs/dbraw/zinc/21/18/55/197211855.db2.gz ICWWTOMFKRNVCZ-UHFFFAOYSA-N 0 0 306.368 2.276 10 30 DEEERN C#CC(C)(C)Nc1cnn(CC(C)C)c(=O)c1Br ZINC000157587288 197199994 /nfs/dbraw/zinc/19/99/94/197199994.db2.gz SYHZHUSBNPGTLA-UHFFFAOYSA-N 0 0 312.211 2.486 10 30 DEEERN N#C[C@@]1([C@H](O)c2ccc(C(F)(F)F)cc2)CCS(=O)(=O)C1 ZINC000157642424 197204545 /nfs/dbraw/zinc/20/45/45/197204545.db2.gz FWFMZSRERGZOLV-NEPJUHHUSA-N 0 0 319.304 2.067 10 30 DEEERN C=CCNC(=O)[C@@H](C)Oc1ccc(Br)cc1C#N ZINC000157471099 197190490 /nfs/dbraw/zinc/19/04/90/197190490.db2.gz QXHFOHRWUINIKQ-SECBINFHSA-N 0 0 309.163 2.390 10 30 DEEERN Cc1c(C#CCO)cccc1C(=O)NC[C@H]1CCCCS1 ZINC000156562879 197123946 /nfs/dbraw/zinc/12/39/46/197123946.db2.gz FURSCJBMEQPPIV-OAHLLOKOSA-N 0 0 303.427 2.354 10 30 DEEERN Cc1cc(C(=O)NC[C@@H]2CCCCS2)sc1C#CCO ZINC000156563803 197123877 /nfs/dbraw/zinc/12/38/77/197123877.db2.gz RFSXNODNGNXIIB-LBPRGKRZSA-N 0 0 309.456 2.416 10 30 DEEERN C=CCN(CC=C)C(=O)CN1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000156519894 197120400 /nfs/dbraw/zinc/12/04/00/197120400.db2.gz JALZKMPYYGHNDT-OAHLLOKOSA-N 0 0 322.449 2.241 10 30 DEEERN C#CCCCCNC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000156491644 197117876 /nfs/dbraw/zinc/11/78/76/197117876.db2.gz DZQWLOIMMBFLDT-CQSZACIVSA-N 0 0 302.399 2.409 10 30 DEEERN O=C(NCc1ccc(C#CCCO)s1)[C@@H]1CCCCS1 ZINC000156275695 197100440 /nfs/dbraw/zinc/10/04/40/197100440.db2.gz RAOKBPXWCZIGTR-AWEZNQCLSA-N 0 0 309.456 2.384 10 30 DEEERN Cn1nccc1C1CCN(C(=O)NCc2ccc(C#N)cc2)CC1 ZINC000156186036 197093960 /nfs/dbraw/zinc/09/39/60/197093960.db2.gz XJWLJOHZPVAULJ-UHFFFAOYSA-N 0 0 323.400 2.381 10 30 DEEERN C=CCCOCCNC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000155330086 197044200 /nfs/dbraw/zinc/04/42/00/197044200.db2.gz LYPOLLCXLWNXOG-UHFFFAOYSA-N 0 0 318.295 2.345 10 30 DEEERN C=CCc1cc(CN(C)CC(=O)NC(C)(C)C)cc(OC)c1O ZINC000120665207 195212119 /nfs/dbraw/zinc/21/21/19/195212119.db2.gz TVOLFYGONWCQRD-UHFFFAOYSA-N 0 0 320.433 2.476 10 30 DEEERN C=CCOC[C@@H]1C[C@H]2OCCN(C(=O)c3occc3C)[C@@H]2C1 ZINC000253480335 257105694 /nfs/dbraw/zinc/10/56/94/257105694.db2.gz WDUDOWUNNYJDRT-RRFJBIMHSA-N 0 0 305.374 2.410 10 30 DEEERN CC(=NNc1nc(C)cc(=O)[nH]1)c1ccc(C)c([N+](=O)[O-])c1 ZINC000038365294 257210942 /nfs/dbraw/zinc/21/09/42/257210942.db2.gz GFBGRLRUAAEOJM-YVLHZVERSA-N 0 0 301.306 2.131 10 30 DEEERN CN(C(=O)c1cccc(C#N)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000122083101 195398442 /nfs/dbraw/zinc/39/84/42/195398442.db2.gz MHABJGHYFRYDFC-INIZCTEOSA-N 0 0 321.384 2.089 10 30 DEEERN C=C[C@H](C)Oc1ccc(S(N)(=O)=O)cc1Br ZINC000127373880 195871942 /nfs/dbraw/zinc/87/19/42/195871942.db2.gz GGIWVOVWEODEGA-ZETCQYMHSA-N 0 0 306.181 2.050 10 30 DEEERN COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000189622542 533499776 /nfs/dbraw/zinc/49/97/76/533499776.db2.gz ABJBILILKGGDAT-ZDUSSCGKSA-N 0 0 318.373 2.019 10 30 DEEERN COC(=O)[C@]12CCC[C@@H]1CN(c1ccc(Cl)c(C#N)n1)C2 ZINC000302185461 533638347 /nfs/dbraw/zinc/63/83/47/533638347.db2.gz PEMVPRMTYINKKI-BMIGLBTASA-N 0 0 305.765 2.386 10 30 DEEERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1sccc1C#N)CC2 ZINC000195283205 132546531 /nfs/dbraw/zinc/54/65/31/132546531.db2.gz XTTITLUMLPAPSG-NSHDSACASA-N 0 0 315.402 2.079 10 30 DEEERN CC(C)OCc1nc([C@@H](C)NC(=O)c2sccc2C#N)no1 ZINC000359611683 133134276 /nfs/dbraw/zinc/13/42/76/133134276.db2.gz BOSUOAJKEAKHQR-SECBINFHSA-N 0 0 320.374 2.419 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC000359871156 133150176 /nfs/dbraw/zinc/15/01/76/133150176.db2.gz FMTPSQWXEOHRMJ-SUMWQHHRSA-N 0 0 300.358 2.145 10 30 DEEERN COC(=O)[C@@H](CNc1ccncc1C#N)Cc1cccc(C)c1 ZINC000548480423 285746935 /nfs/dbraw/zinc/74/69/35/285746935.db2.gz WDXLJTUHJHGFAA-OAHLLOKOSA-N 0 0 309.369 2.127 10 30 DEEERN C[C@H](C(=O)Nc1ccc(O)c2ccccc12)n1cnc(C#N)n1 ZINC000548820101 285801682 /nfs/dbraw/zinc/80/16/82/285801682.db2.gz JWVIRKIRTUPMRD-SNVBAGLBSA-N 0 0 307.313 2.208 10 30 DEEERN COc1ccc([C@H](NC(=O)Cn2ccnc2C#N)C2CC2)cc1 ZINC000179873836 144882107 /nfs/dbraw/zinc/88/21/07/144882107.db2.gz FBADRCXFEMYLEU-QGZVFWFLSA-N 0 0 310.357 2.031 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000185911079 144970495 /nfs/dbraw/zinc/97/04/95/144970495.db2.gz DJPBUVPTHXHVKF-UHFFFAOYSA-N 0 0 309.329 2.126 10 30 DEEERN CO[C@@H]1CN(C(=O)NCc2cc(C#N)ccc2F)CC[C@@H]1C ZINC000187583033 145000937 /nfs/dbraw/zinc/00/09/37/145000937.db2.gz GHEXJLSUPGOVBG-XHDPSFHLSA-N 0 0 305.353 2.264 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000189376827 145026818 /nfs/dbraw/zinc/02/68/18/145026818.db2.gz WZHUYOYRYCHOHG-UHFFFAOYSA-N 0 0 301.390 2.461 10 30 DEEERN Cn1cc(CN2CCC(Nc3nccs3)CC2)cc1C#N ZINC000191534368 145060285 /nfs/dbraw/zinc/06/02/85/145060285.db2.gz XYMWENHEYZTYTH-UHFFFAOYSA-N 0 0 301.419 2.430 10 30 DEEERN C[C@@H](O)CNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000192543580 145074811 /nfs/dbraw/zinc/07/48/11/145074811.db2.gz UUUJFPTXSJPLRU-CYBMUJFWSA-N 0 0 309.369 2.405 10 30 DEEERN N#Cc1cc(C(=O)Nc2cccnc2OCC(F)F)ccn1 ZINC000193723170 145089282 /nfs/dbraw/zinc/08/92/82/145089282.db2.gz GMFCNGUZHUBPGQ-UHFFFAOYSA-N 0 0 304.256 2.244 10 30 DEEERN COc1ccc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)cc1C#N ZINC000246786039 145114476 /nfs/dbraw/zinc/11/44/76/145114476.db2.gz PJASHRSTGLCJKI-JFIYKMOQSA-N 0 0 316.401 2.335 10 30 DEEERN C[C@@H]1COC[C@H](C)N1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248710996 145164816 /nfs/dbraw/zinc/16/48/16/145164816.db2.gz CJJNGRANJQSGPS-VBQJREDUSA-N 0 0 313.401 2.163 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1sccc1C#N ZINC000249369328 145182983 /nfs/dbraw/zinc/18/29/83/145182983.db2.gz OVIGZQZIEMEFKP-SRVKXCTJSA-N 0 0 304.371 2.033 10 30 DEEERN Cc1cc(C#N)cc(NCCn2cc(Br)cn2)n1 ZINC000311043489 145353274 /nfs/dbraw/zinc/35/32/74/145353274.db2.gz SMINWIZXONUUPK-UHFFFAOYSA-N 0 0 306.167 2.333 10 30 DEEERN COC[C@@H]1CN(CCOc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000343696521 145725940 /nfs/dbraw/zinc/72/59/40/145725940.db2.gz XWKJFKJZMYAEKZ-INIZCTEOSA-N 0 0 304.390 2.063 10 30 DEEERN N#Cc1ccc([C@@H](Nc2cccc(CCCO)c2)C(N)=O)cc1 ZINC000358846706 147218385 /nfs/dbraw/zinc/21/83/85/147218385.db2.gz HZGRPRNLHFRVFS-QGZVFWFLSA-N 0 0 309.369 2.122 10 30 DEEERN Cn1ncc(C(=O)Nc2nc(C(F)(F)F)cs2)c1C#N ZINC000359249652 147291936 /nfs/dbraw/zinc/29/19/36/147291936.db2.gz DSRLUBZPVFMJGY-UHFFFAOYSA-N 0 0 301.253 2.019 10 30 DEEERN N#Cc1cccc(CC(=O)NCC[C@H]2C(=O)Nc3ccccc32)c1 ZINC000565516594 292166779 /nfs/dbraw/zinc/16/67/79/292166779.db2.gz YLOIXILTRHNEIZ-MRXNPFEDSA-N 0 0 319.364 2.343 10 30 DEEERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)NCCc1cccc(C#N)c1 ZINC000370697720 148045923 /nfs/dbraw/zinc/04/59/23/148045923.db2.gz LYBZGYGCCVZWKD-INIZCTEOSA-N 0 0 323.400 2.211 10 30 DEEERN Cn1cc(C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)cc1C#N ZINC000375007533 148315162 /nfs/dbraw/zinc/31/51/62/148315162.db2.gz CWZLQLTWMKTTJM-LJQANCHMSA-N 0 0 309.413 2.423 10 30 DEEERN N#Cc1csc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)c1 ZINC000375011025 148316026 /nfs/dbraw/zinc/31/60/26/148316026.db2.gz ABLFXUCSMDAFOH-UHFFFAOYSA-N 0 0 302.330 2.102 10 30 DEEERN N#Cc1cnccc1N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000375396675 148366617 /nfs/dbraw/zinc/36/66/17/148366617.db2.gz WWCOPZKEIAGFFN-ZDUSSCGKSA-N 0 0 304.357 2.380 10 30 DEEERN CCC[C@@H]1CCCN(S(=O)(=O)c2cnc(C)c(C#N)c2)C1 ZINC000408362767 148595191 /nfs/dbraw/zinc/59/51/91/148595191.db2.gz QZGGQKRWPXJBFK-CYBMUJFWSA-N 0 0 307.419 2.463 10 30 DEEERN CN(Cc1ccc(C#N)cc1)C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000073889728 401724459 /nfs/dbraw/zinc/72/44/59/401724459.db2.gz HQKYDHDWFRSSMI-UHFFFAOYSA-N 0 0 318.336 2.479 10 30 DEEERN N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000111922697 401728006 /nfs/dbraw/zinc/72/80/06/401728006.db2.gz FXGGTNKUQCGXRS-NVXWUHKLSA-N 0 0 319.364 2.417 10 30 DEEERN CCc1nc(CNS(=O)(=O)c2cc(C#N)ccc2C)cs1 ZINC000114740289 401809251 /nfs/dbraw/zinc/80/92/51/401809251.db2.gz PMYQKOJSBYXHMN-UHFFFAOYSA-N 0 0 321.427 2.364 10 30 DEEERN CN(C)c1ccccc1CN1CCN(c2ncccc2C#N)CC1 ZINC000075594274 401763368 /nfs/dbraw/zinc/76/33/68/401763368.db2.gz LIBBBVIEFBCBQL-UHFFFAOYSA-N 0 0 321.428 2.341 10 30 DEEERN Cc1cccc(N2CCN(C(=O)c3ccc(C#N)nc3)CC2)c1 ZINC000115012103 401817338 /nfs/dbraw/zinc/81/73/38/401817338.db2.gz OEKJIEJIDZBUMA-UHFFFAOYSA-N 0 0 306.369 2.224 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)CCc3cscn3)C2)cc1 ZINC000130384088 401829789 /nfs/dbraw/zinc/82/97/89/401829789.db2.gz FLDWKFKHJIDQGA-UHFFFAOYSA-N 0 0 313.382 2.237 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000077861754 401835348 /nfs/dbraw/zinc/83/53/48/401835348.db2.gz BBWCJFOEOZINHL-UHFFFAOYSA-N 0 0 303.362 2.008 10 30 DEEERN C[C@@H](NC[C@H](C#N)CCC#N)c1ccc(S(C)(=O)=O)cc1 ZINC000025695546 401836832 /nfs/dbraw/zinc/83/68/32/401836832.db2.gz YTCWDCDIRCSCEH-OLZOCXBDSA-N 0 0 305.403 2.184 10 30 DEEERN CCc1ccc(NC(=O)C(=O)N2CCC(C#N)CC2)cc1F ZINC000119239478 401935297 /nfs/dbraw/zinc/93/52/97/401935297.db2.gz RMIZNVOBHUHJDD-UHFFFAOYSA-N 0 0 303.337 2.089 10 30 DEEERN CC(C)C[C@@H](CNC(=O)c1cc(C#N)cs1)N1CCOCC1 ZINC000084179889 401903068 /nfs/dbraw/zinc/90/30/68/401903068.db2.gz XHAHLVYQNYTZIT-AWEZNQCLSA-N 0 0 321.446 2.096 10 30 DEEERN C=CCOCCCC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000134839613 401916157 /nfs/dbraw/zinc/91/61/57/401916157.db2.gz FZCOJESDQVHZJJ-ZDUSSCGKSA-N 0 0 323.824 2.413 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCCNC(=O)[C@@H]1C)CCC2 ZINC000329905384 404489579 /nfs/dbraw/zinc/48/95/79/404489579.db2.gz JOCZPXAMCPXAIC-STQMWFEESA-N 0 0 319.409 2.034 10 30 DEEERN C#Cc1cccc(NC(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1 ZINC000136507981 401968326 /nfs/dbraw/zinc/96/83/26/401968326.db2.gz XNLDMUIWTRTYEO-HOCLYGCPSA-N 0 0 311.385 2.190 10 30 DEEERN CCOC(=O)CC[C@H](C)NC(=O)NCc1cc(C#N)ccc1F ZINC000089902838 401972638 /nfs/dbraw/zinc/97/26/38/401972638.db2.gz YINZVNTZDSLHFH-NSHDSACASA-N 0 0 321.352 2.228 10 30 DEEERN N#CC1(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CCCC1 ZINC000135436756 401939489 /nfs/dbraw/zinc/93/94/89/401939489.db2.gz GTVMCNRAPRKITB-OAHLLOKOSA-N 0 0 300.358 2.376 10 30 DEEERN C=CCN(Cc1ccccc1F)S(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000135537141 401943724 /nfs/dbraw/zinc/94/37/24/401943724.db2.gz QSSZVCDKWSLHKM-IUODEOHRSA-N 0 0 313.394 2.321 10 30 DEEERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1c1cc(C#N)ccn1 ZINC000095087654 402025196 /nfs/dbraw/zinc/02/51/96/402025196.db2.gz WNOWKKHVIFULRP-ZDUSSCGKSA-N 0 0 302.378 2.447 10 30 DEEERN C=CCOc1ccc(CN2CCN(C(=O)NCC)CC2)cc1 ZINC000121555356 402043799 /nfs/dbraw/zinc/04/37/99/402043799.db2.gz KELLFZFZQGBLET-UHFFFAOYSA-N 0 0 303.406 2.099 10 30 DEEERN C=CCOc1c(N)cc(C#N)cc1I ZINC000052856043 402047293 /nfs/dbraw/zinc/04/72/93/402047293.db2.gz JSSXQBXVWBSJQH-UHFFFAOYSA-N 0 0 300.099 2.310 10 30 DEEERN C=CCCOCCNC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000122651493 402088930 /nfs/dbraw/zinc/08/89/30/402088930.db2.gz ISNQAKGQAUQEAF-UHFFFAOYSA-N 0 0 320.437 2.204 10 30 DEEERN COc1ccc(CN2C(=O)N[C@](C)(C(C)C)C2=O)cc1C#N ZINC000153073339 402125248 /nfs/dbraw/zinc/12/52/48/402125248.db2.gz OPEYMHWQQYINKA-MRXNPFEDSA-N 0 0 301.346 2.033 10 30 DEEERN CC[C@@H](C#N)NC(=O)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000123690715 402141857 /nfs/dbraw/zinc/14/18/57/402141857.db2.gz XGYLOYUZFKUFSN-LRDDRELGSA-N 0 0 309.410 2.442 10 30 DEEERN Nc1n[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1 ZINC000100405203 402141272 /nfs/dbraw/zinc/14/12/72/402141272.db2.gz INYGVRBAFRALFM-UHFFFAOYSA-N 0 0 302.100 2.312 10 30 DEEERN COC1=CC(=O)C(OC)[C@@H](O)[C@@H]1C(=O)C=Cc1ccccc1 ZINC000100058404 402139232 /nfs/dbraw/zinc/13/92/32/402139232.db2.gz VADQFSASSSGAFZ-USQNJUIBSA-N 0 0 302.326 2.206 10 30 DEEERN N#Cc1ccc2ncc(CNCc3ccccc3[N+](=O)[O-])n2c1 ZINC000123340469 402122949 /nfs/dbraw/zinc/12/29/49/402122949.db2.gz BVWYZYHQRRKCGC-UHFFFAOYSA-N 0 0 307.313 2.404 10 30 DEEERN N#Cc1cccc(CNC(=O)N2CCC(Cn3cccn3)CC2)c1 ZINC000123767812 402144909 /nfs/dbraw/zinc/14/49/09/402144909.db2.gz QRSGARXKTNXJDN-UHFFFAOYSA-N 0 0 323.400 2.377 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000153913392 402179966 /nfs/dbraw/zinc/17/99/66/402179966.db2.gz LOKSBEBXWXUSOI-ZIAGYGMSSA-N 0 0 314.389 2.426 10 30 DEEERN CCCC(=O)NCC(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000068384195 402196190 /nfs/dbraw/zinc/19/61/90/402196190.db2.gz OBPFHQOYHZVARZ-ZDUSSCGKSA-N 0 0 301.390 2.384 10 30 DEEERN N#CCCCS(=O)(=O)NCc1cccc(-c2ccccn2)c1 ZINC000124151544 402166422 /nfs/dbraw/zinc/16/64/22/402166422.db2.gz NJBMTOHRRLGZAM-UHFFFAOYSA-N 0 0 315.398 2.472 10 30 DEEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(C#N)cn1 ZINC000107596541 402235802 /nfs/dbraw/zinc/23/58/02/402235802.db2.gz NIDRILWHPAQVMQ-HNNXBMFYSA-N 0 0 309.373 2.281 10 30 DEEERN CCc1nc(CNS(=O)(=O)c2cccc(C#N)c2)cs1 ZINC000107704397 402238600 /nfs/dbraw/zinc/23/86/00/402238600.db2.gz SIDNLIUZIAZNBY-UHFFFAOYSA-N 0 0 307.400 2.056 10 30 DEEERN Cc1cc(C)c(C#N)c(N(C)[C@H]2CCCN(c3cccnn3)C2)n1 ZINC000108946724 402265173 /nfs/dbraw/zinc/26/51/73/402265173.db2.gz OJGWZZNINDFJOY-HNNXBMFYSA-N 0 0 322.416 2.465 10 30 DEEERN CC(=O)N[C@@H](CC(=O)N[C@@H](C#N)C1CC1)c1ccc(Cl)cc1 ZINC000108833603 402262481 /nfs/dbraw/zinc/26/24/81/402262481.db2.gz SMNJTXXSDPAQLU-GJZGRUSLSA-N 0 0 319.792 2.326 10 30 DEEERN N#C[C@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)C1CC1 ZINC000108833219 402262612 /nfs/dbraw/zinc/26/26/12/402262612.db2.gz VINJZSKFXLMFNN-HNNXBMFYSA-N 0 0 324.384 2.463 10 30 DEEERN C=C[C@H](C)NC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1 ZINC000155737661 402265989 /nfs/dbraw/zinc/26/59/89/402265989.db2.gz WPZCPPGGWOETJW-YOEHRIQHSA-N 0 0 323.396 2.113 10 30 DEEERN C=CCCOCCNC(=O)N[C@H](C)[C@H]1COc2ccccc21 ZINC000126180309 402268660 /nfs/dbraw/zinc/26/86/60/402268660.db2.gz AIPMCDRONQWWAK-UKRRQHHQSA-N 0 0 304.390 2.443 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000184597960 402281768 /nfs/dbraw/zinc/28/17/68/402281768.db2.gz SAHWMRQVEMIAFW-RYUDHWBXSA-N 0 0 313.344 2.423 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000184612075 402283497 /nfs/dbraw/zinc/28/34/97/402283497.db2.gz KFQHISGNGWFJEH-ZDUSSCGKSA-N 0 0 302.334 2.104 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCCCNC(=O)c1cccc(O)c1 ZINC000184710596 402293745 /nfs/dbraw/zinc/29/37/45/402293745.db2.gz HXHCBYQSCBCNMM-CYBMUJFWSA-N 0 0 304.390 2.231 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000184746958 402297354 /nfs/dbraw/zinc/29/73/54/402297354.db2.gz MSGSVUYDWHNDCK-UKRRQHHQSA-N 0 0 305.422 2.294 10 30 DEEERN N#Cc1ccc(OC2CN(C[C@@H](O)Cc3ccccc3)C2)cc1 ZINC000158570746 402308588 /nfs/dbraw/zinc/30/85/88/402308588.db2.gz HGNXBNIYMVHNOE-KRWDZBQOSA-N 0 0 308.381 2.225 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000176880626 402345720 /nfs/dbraw/zinc/34/57/20/402345720.db2.gz VDJCYZVNTNSVIQ-OAHLLOKOSA-N 0 0 313.357 2.311 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000230259224 402349832 /nfs/dbraw/zinc/34/98/32/402349832.db2.gz AJVRDRJFVVOCMJ-XPKDYRNWSA-N 0 0 300.358 2.105 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(Br)c(C)n1 ZINC000185597109 402363970 /nfs/dbraw/zinc/36/39/70/402363970.db2.gz LKIRBSMSBKTLKH-VIFPVBQESA-N 0 0 314.183 2.211 10 30 DEEERN Cc1cc(C#N)cc(NCc2ccc(S(C)(=O)=O)cc2)n1 ZINC000161031484 402369839 /nfs/dbraw/zinc/36/98/39/402369839.db2.gz FXHCWCSKLANJDJ-UHFFFAOYSA-N 0 0 301.371 2.277 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000185754807 402374019 /nfs/dbraw/zinc/37/40/19/402374019.db2.gz FMSLTNIJPFCFJM-JTQLQIEISA-N 0 0 306.343 2.476 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000185780178 402376378 /nfs/dbraw/zinc/37/63/78/402376378.db2.gz JNTLCUXAIWOJBH-LLVKDONJSA-N 0 0 310.344 2.413 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000185789624 402376833 /nfs/dbraw/zinc/37/68/33/402376833.db2.gz BQRHQIXUTPNCCK-CQSZACIVSA-N 0 0 314.341 2.199 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000185806114 402378792 /nfs/dbraw/zinc/37/87/92/402378792.db2.gz MTRDDQGLYPQLMY-LLVKDONJSA-N 0 0 322.792 2.134 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCCOc1cccc(Cl)c1 ZINC000176732044 402331493 /nfs/dbraw/zinc/33/14/93/402331493.db2.gz MPJLRGJRMQZTLK-UHFFFAOYSA-N 0 0 303.749 2.359 10 30 DEEERN C[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc2c(c1)CCC(=O)N2 ZINC000176749140 402333283 /nfs/dbraw/zinc/33/32/83/402333283.db2.gz KIIIUNPAPMWVSH-NSHDSACASA-N 0 0 322.368 2.272 10 30 DEEERN C=CCn1c(SCc2nc(C)c3ccccc3n2)n[nH]c1=O ZINC000163402400 402449337 /nfs/dbraw/zinc/44/93/37/402449337.db2.gz FHVDSCWANOLLBP-UHFFFAOYSA-N 0 0 313.386 2.301 10 30 DEEERN CC[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1nccn1C ZINC000186013218 402396449 /nfs/dbraw/zinc/39/64/49/402396449.db2.gz JZJPJFHIULCQOQ-AWEZNQCLSA-N 0 0 307.361 2.436 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NC1CCC2(CC1)OCCO2 ZINC000161930166 402404038 /nfs/dbraw/zinc/40/40/38/402404038.db2.gz ICNURPUDCWJNDR-UHFFFAOYSA-N 0 0 300.358 2.282 10 30 DEEERN C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccnc1 ZINC000163145635 402443077 /nfs/dbraw/zinc/44/30/77/402443077.db2.gz HMWVJROEGVFNNZ-ZDUSSCGKSA-N 0 0 315.398 2.078 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000186656080 402452054 /nfs/dbraw/zinc/45/20/54/402452054.db2.gz UUOYDAUQLHKNHS-MRVPVSSYSA-N 0 0 310.202 2.209 10 30 DEEERN CCn1ccnc1Cn1c(C)c(Br)cc(C#N)c1=O ZINC000185932098 402390363 /nfs/dbraw/zinc/39/03/63/402390363.db2.gz AEQXXEZWAWHOQN-UHFFFAOYSA-N 0 0 321.178 2.056 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(F)cc2nc(C)c(C)nc21 ZINC000185938431 402390689 /nfs/dbraw/zinc/39/06/89/402390689.db2.gz YOMZYMMXMNLOFL-GFCCVEGCSA-N 0 0 303.337 2.053 10 30 DEEERN C=CC[C@@H](C(=O)N1CCN([C@H](CC)CO)CC1)c1ccccc1 ZINC000186989233 402476613 /nfs/dbraw/zinc/47/66/13/402476613.db2.gz VWHOQQQFXTVDHI-QZTJIDSGSA-N 0 0 316.445 2.261 10 30 DEEERN CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000165649442 402477249 /nfs/dbraw/zinc/47/72/49/402477249.db2.gz BFAMIVNVHGAOGL-UHFFFAOYSA-N 0 0 321.789 2.427 10 30 DEEERN CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)[C@H]1CCCO1 ZINC000245923726 402497754 /nfs/dbraw/zinc/49/77/54/402497754.db2.gz PBQNFIOWJHJQCS-DUVNUKRYSA-N 0 0 302.374 2.399 10 30 DEEERN Cc1ccc(N(C)C[C@@H](O)COCc2ccccc2)nc1C#N ZINC000189857368 402562590 /nfs/dbraw/zinc/56/25/90/402562590.db2.gz IKXKJZUCYJKOCL-MRXNPFEDSA-N 0 0 311.385 2.276 10 30 DEEERN C=CCn1c(S[C@@H]2CCNC2=O)nnc1-c1ccc(C)cc1 ZINC000179007637 402563980 /nfs/dbraw/zinc/56/39/80/402563980.db2.gz UEBVBXKDSJXCKO-CYBMUJFWSA-N 0 0 314.414 2.420 10 30 DEEERN N#CCCCCNC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000179028739 402566350 /nfs/dbraw/zinc/56/63/50/402566350.db2.gz GEFYJHSAESNONA-WFASDCNBSA-N 0 0 323.343 2.476 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000178595261 402515305 /nfs/dbraw/zinc/51/53/05/402515305.db2.gz FLYWWAWCFCEJFV-OAHLLOKOSA-N 0 0 321.384 2.056 10 30 DEEERN COC(=O)[C@H](CNC(=O)c1ccc(C#N)cc1C)CC(C)C ZINC000178730326 402531647 /nfs/dbraw/zinc/53/16/47/402531647.db2.gz HMOLBDWCACVHIB-AWEZNQCLSA-N 0 0 302.374 2.432 10 30 DEEERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(C#N)s2)C1 ZINC000190150084 402579616 /nfs/dbraw/zinc/57/96/16/402579616.db2.gz XKLAFSPKJIJJSQ-ZWNOBZJWSA-N 0 0 304.375 2.273 10 30 DEEERN C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(N)=O ZINC000171551786 402593851 /nfs/dbraw/zinc/59/38/51/402593851.db2.gz OIXMULHNOCABHH-LLVKDONJSA-N 0 0 324.340 2.346 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCCOC1 ZINC000171680171 402608781 /nfs/dbraw/zinc/60/87/81/402608781.db2.gz NRLUSBCODXYSHP-ZBFHGGJFSA-N 0 0 302.374 2.257 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(C#N)c(F)c3)[C@H]2C1 ZINC000248842772 402611062 /nfs/dbraw/zinc/61/10/62/402611062.db2.gz MDVVGMBETKBYIP-PVAVHDDUSA-N 0 0 304.365 2.466 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@H]2CCCOC2)c(OC)c1 ZINC000171695506 402611304 /nfs/dbraw/zinc/61/13/04/402611304.db2.gz DOHOYKMVWZUTIY-AWEZNQCLSA-N 0 0 305.374 2.098 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NC[C@@H]1COC2(CCCCCC2)O1 ZINC000181461851 402645924 /nfs/dbraw/zinc/64/59/24/402645924.db2.gz IEHJGXDBNVZKOJ-CQSZACIVSA-N 0 0 317.389 2.092 10 30 DEEERN CCC(CC)[C@@H](O)CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000173797025 402712799 /nfs/dbraw/zinc/71/27/99/402712799.db2.gz GLMODNRREHGYSC-INIZCTEOSA-N 0 0 319.405 2.033 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000182799039 402716808 /nfs/dbraw/zinc/71/68/08/402716808.db2.gz IXNYPZYUDCVOPK-GFCCVEGCSA-N 0 0 302.296 2.442 10 30 DEEERN N#Cc1ccc(OCCNC(=O)COCc2ccccc2)cc1 ZINC000173897025 402717439 /nfs/dbraw/zinc/71/74/39/402717439.db2.gz AKBWCCRPYVOMDT-UHFFFAOYSA-N 0 0 310.353 2.270 10 30 DEEERN Cn1ncc(N=Cc2ccc(O)cc2)c1C(=O)NCc1ccco1 ZINC000254313520 402670888 /nfs/dbraw/zinc/67/08/88/402670888.db2.gz UQUPIZBOMNZHPA-UHFFFAOYSA-N 0 0 324.340 2.399 10 30 DEEERN N#Cc1cccc(OCCNc2cc(-n3cnnn3)ccc2F)c1 ZINC000172900465 402679315 /nfs/dbraw/zinc/67/93/15/402679315.db2.gz GCQGOKNZFRMMGM-UHFFFAOYSA-N 0 0 324.319 2.164 10 30 DEEERN N#CC1CCN(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000174407611 402739407 /nfs/dbraw/zinc/73/94/07/402739407.db2.gz WILIFQPZWBRNRO-GJZGRUSLSA-N 0 0 301.394 2.312 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@H](C)COCc1ccccc1 ZINC000183192398 402746223 /nfs/dbraw/zinc/74/62/23/402746223.db2.gz QAOWXCAPOWNWMO-HOCLYGCPSA-N 0 0 306.406 2.076 10 30 DEEERN N#Cc1cc(C(=O)Nc2cccc(OCC(F)F)n2)ccn1 ZINC000193007540 402760137 /nfs/dbraw/zinc/76/01/37/402760137.db2.gz DDSQOMWKVZDVIN-UHFFFAOYSA-N 0 0 304.256 2.244 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC000183617850 402782031 /nfs/dbraw/zinc/78/20/31/402782031.db2.gz HSQHMJWGOMRUOR-NEPJUHHUSA-N 0 0 312.797 2.344 10 30 DEEERN CCc1nn(COC(=O)c2ccccc2)c(=O)c(C#N)c1CC ZINC000175263682 402793158 /nfs/dbraw/zinc/79/31/58/402793158.db2.gz GUDNAKFVMZUODP-UHFFFAOYSA-N 0 0 311.341 2.054 10 30 DEEERN CC[C@@H](CC#N)NC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000183793476 402798245 /nfs/dbraw/zinc/79/82/45/402798245.db2.gz BYLSMZWKSFGIAO-NSHDSACASA-N 0 0 303.337 2.375 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000183920739 402805113 /nfs/dbraw/zinc/80/51/13/402805113.db2.gz YASXOGSZSZGGOW-QWHCGFSZSA-N 0 0 309.410 2.442 10 30 DEEERN CCC(=O)N1CSC[C@H]1C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000175758489 402829915 /nfs/dbraw/zinc/82/99/15/402829915.db2.gz BFDMCZZGDWKNKT-FZMZJTMJSA-N 0 0 318.398 2.474 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc2n[nH]nc2c1 ZINC000175834764 402836820 /nfs/dbraw/zinc/83/68/20/402836820.db2.gz VMPQPHOUIXYCDI-SNVBAGLBSA-N 0 0 307.313 2.236 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)c2ccccc2O)cn1 ZINC000183680674 402788362 /nfs/dbraw/zinc/78/83/62/402788362.db2.gz XKNILDDTDQDVBF-UHFFFAOYSA-N 0 0 305.297 2.097 10 30 DEEERN C=CCC[C@H](C(=O)N1CC[C@@]2(CNC(=O)C2)C1)c1ccccc1 ZINC000278878606 402881169 /nfs/dbraw/zinc/88/11/69/402881169.db2.gz CSPMIQARVYZAHG-QFBILLFUSA-N 0 0 312.413 2.475 10 30 DEEERN C=CCCCNC(=O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000279178082 402912793 /nfs/dbraw/zinc/91/27/93/402912793.db2.gz IBCYJQJAXXLVJL-AWEZNQCLSA-N 0 0 304.415 2.284 10 30 DEEERN Cc1cc(N2CCN(c3ncccc3C#N)CC2)nc(C2CC2)n1 ZINC000265378781 402914012 /nfs/dbraw/zinc/91/40/12/402914012.db2.gz QMNIXNZBUYHXTQ-UHFFFAOYSA-N 0 0 320.400 2.256 10 30 DEEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2COc3ccccc3O2)C1 ZINC000265397000 402915435 /nfs/dbraw/zinc/91/54/35/402915435.db2.gz VUNPBVSYGXDMFP-SRCQZFHVSA-N 0 0 300.358 2.415 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000274403395 403051974 /nfs/dbraw/zinc/05/19/74/403051974.db2.gz ATQHOTNGMXMXKU-UHFFFAOYSA-N 0 0 303.240 2.368 10 30 DEEERN C=CC[C@H](CC)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000281213343 403060681 /nfs/dbraw/zinc/06/06/81/403060681.db2.gz CMENKTDCIGJUMC-HOTGVXAUSA-N 0 0 317.433 2.340 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)c2cccc3ncccc32)C1=O ZINC000281332701 403065944 /nfs/dbraw/zinc/06/59/44/403065944.db2.gz KWYIQDNGENIAQL-INIZCTEOSA-N 0 0 309.369 2.094 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(CO)c(F)c1 ZINC000281653828 403078515 /nfs/dbraw/zinc/07/85/15/403078515.db2.gz XCUPQJONGGPXPG-XJKSGUPXSA-N 0 0 322.380 2.098 10 30 DEEERN C=C(C)CCN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O ZINC000274761605 403085390 /nfs/dbraw/zinc/08/53/90/403085390.db2.gz QZNAWCCQCJSUKM-QGZVFWFLSA-N 0 0 316.357 2.235 10 30 DEEERN C=CCN1CC[C@@H](N(C)c2ncc(C(F)(F)F)s2)C1=O ZINC000281727677 403085982 /nfs/dbraw/zinc/08/59/82/403085982.db2.gz DIBIMZNUJVZAJG-MRVPVSSYSA-N 0 0 305.325 2.385 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N1CC[C@@](O)(C(F)(F)F)C1 ZINC000282126340 403124911 /nfs/dbraw/zinc/12/49/11/403124911.db2.gz AIDCJMFZOHWXES-MFKMUULPSA-N 0 0 318.343 2.481 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CCC(Nc2cccnn2)CC1 ZINC000282999857 403164881 /nfs/dbraw/zinc/16/48/81/403164881.db2.gz RABSXSYEZHJHTI-UHFFFAOYSA-N 0 0 313.409 2.034 10 30 DEEERN C#CC[C@@]1(C(=O)N[C@@H](C#N)CC)CCCN1C(=O)OC(C)(C)C ZINC000277341214 403207408 /nfs/dbraw/zinc/20/74/08/403207408.db2.gz DOQMBPBAQHHTJZ-DYVFJYSZSA-N 0 0 319.405 2.198 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1cccc(OCC)c1 ZINC000283896605 403231241 /nfs/dbraw/zinc/23/12/41/403231241.db2.gz DJSKYORKSVVKIN-UHFFFAOYSA-N 0 0 304.390 2.126 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCC1(c2ccccc2)CC1 ZINC000283945984 403233945 /nfs/dbraw/zinc/23/39/45/403233945.db2.gz KGLRZNPTUYTWTM-UHFFFAOYSA-N 0 0 300.402 2.259 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1sc([C@@H]2CCCOC2)nc1C ZINC000345356761 403299570 /nfs/dbraw/zinc/29/95/70/403299570.db2.gz SGAHWWVTOGOLBR-CHWSQXEVSA-N 0 0 324.446 2.260 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC(C)(C)CO ZINC000298101159 403321733 /nfs/dbraw/zinc/32/17/33/403321733.db2.gz WTDRUTJVEYLMCY-INIZCTEOSA-N 0 0 302.418 2.329 10 30 DEEERN C#CCCOc1ccc(C(=O)N[C@H]2CCC[C@H](CO)C2)cc1 ZINC000298183039 403325801 /nfs/dbraw/zinc/32/58/01/403325801.db2.gz DULKACZWRCSRIF-HOCLYGCPSA-N 0 0 301.386 2.370 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1cnn(C)c1C ZINC000285949286 403416549 /nfs/dbraw/zinc/41/65/49/403416549.db2.gz VJAQWQVNPJPUEN-SFHVURJKSA-N 0 0 309.413 2.412 10 30 DEEERN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(C#N)oc1C ZINC000286906759 403549409 /nfs/dbraw/zinc/54/94/09/403549409.db2.gz PKGBNKZGWFHRKO-VNQPRFMTSA-N 0 0 318.373 2.116 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](c1nccn1C)c1ccccc1F ZINC000286968789 403550405 /nfs/dbraw/zinc/55/04/05/403550405.db2.gz DXQZJEKPCJJFSY-QGZVFWFLSA-N 0 0 323.371 2.428 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(OC)c(Cl)c2)C1=O ZINC000293736348 403551222 /nfs/dbraw/zinc/55/12/22/403551222.db2.gz WTGVJBCZQRWDMS-CYBMUJFWSA-N 0 0 322.792 2.208 10 30 DEEERN C=CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1C ZINC000293600254 403515645 /nfs/dbraw/zinc/51/56/45/403515645.db2.gz XVQJHRHCHFMCCR-SNVBAGLBSA-N 0 0 315.366 2.164 10 30 DEEERN C#CC[C@H](Cc1ccccc1)Nc1cc(N2CCOCC2)ncn1 ZINC000286404891 403519842 /nfs/dbraw/zinc/51/98/42/403519842.db2.gz PXCPYVLZOHORKL-QGZVFWFLSA-N 0 0 322.412 2.360 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCc1ccc(C)c(OC)c1 ZINC000287384751 403587747 /nfs/dbraw/zinc/58/77/47/403587747.db2.gz FPGZDIKHJFSVSD-UHFFFAOYSA-N 0 0 318.417 2.087 10 30 DEEERN C=CC[C@H](CC)NC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000346444381 403589935 /nfs/dbraw/zinc/58/99/35/403589935.db2.gz WZXXZBJTPNCBBN-ZFWWWQNUSA-N 0 0 316.405 2.231 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1 ZINC000287403504 403592271 /nfs/dbraw/zinc/59/22/71/403592271.db2.gz BVVGAESQKRNLHE-ZDUSSCGKSA-N 0 0 312.369 2.261 10 30 DEEERN C=CCCN(C)C(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000346833755 403603630 /nfs/dbraw/zinc/60/36/30/403603630.db2.gz WFAAHIBJJQAYQM-LBPRGKRZSA-N 0 0 308.328 2.352 10 30 DEEERN C=CCNC(=O)Cc1noc(-c2oc(CC(C)C)nc2C)n1 ZINC000346973159 403609370 /nfs/dbraw/zinc/60/93/70/403609370.db2.gz RROYEFDKPOZNCF-UHFFFAOYSA-N 0 0 304.350 2.076 10 30 DEEERN C#Cc1cccc(N(CC)S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)c1 ZINC000294350169 403711185 /nfs/dbraw/zinc/71/11/85/403711185.db2.gz ZFJLPTJOPAKTLS-XJKSGUPXSA-N 0 0 307.415 2.392 10 30 DEEERN C=CC[C@@H](CO)Nc1c(Br)cncc1[N+](=O)[O-] ZINC000302140349 403708027 /nfs/dbraw/zinc/70/80/27/403708027.db2.gz OOTOOJYRECICJX-ZETCQYMHSA-N 0 0 302.128 2.101 10 30 DEEERN C=CCNC(=O)CNc1nn2cc(C3CCCC3)nc2s1 ZINC000302527061 403711617 /nfs/dbraw/zinc/71/16/17/403711617.db2.gz KHYXPOZPZBOTCF-UHFFFAOYSA-N 0 0 305.407 2.163 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1nnc(C)[nH]1 ZINC000288134354 403731573 /nfs/dbraw/zinc/73/15/73/403731573.db2.gz LBCPDJVKICRVHV-WFASDCNBSA-N 0 0 311.389 2.108 10 30 DEEERN C#CCC(CC#C)C(=O)N1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000295276152 403825843 /nfs/dbraw/zinc/82/58/43/403825843.db2.gz HZSKHOGWFUDGCD-LBPRGKRZSA-N 0 0 301.308 2.218 10 30 DEEERN N#Cc1ccc(NC(=O)N2CCN(C(=O)C3CC3)C2)cc1Cl ZINC000333635959 403799362 /nfs/dbraw/zinc/79/93/62/403799362.db2.gz BMLJBNUKGZEBES-UHFFFAOYSA-N 0 0 318.764 2.255 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)c1cnn(C)c1OC ZINC000411563584 403896199 /nfs/dbraw/zinc/89/61/99/403896199.db2.gz DDKODWZNHUNGIE-UHFFFAOYSA-N 0 0 303.337 2.396 10 30 DEEERN C#Cc1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)C(C)C)cc1 ZINC000295350674 403876153 /nfs/dbraw/zinc/87/61/53/403876153.db2.gz FDEMTTVQJKQPOK-KRWDZBQOSA-N 0 0 312.413 2.321 10 30 DEEERN C=CCCO[C@H](C)C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000362025068 403917685 /nfs/dbraw/zinc/91/76/85/403917685.db2.gz KMOSNJSJFYUXQT-KGLIPLIRSA-N 0 0 305.374 2.314 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)C2CCC(=O)CC2)cc1 ZINC000344119533 403923318 /nfs/dbraw/zinc/92/33/18/403923318.db2.gz UWDSLCQUFYEYBI-UHFFFAOYSA-N 0 0 300.358 2.300 10 30 DEEERN COC(=O)c1ccc(C)c(I)c1C#N ZINC000307536313 403954061 /nfs/dbraw/zinc/95/40/61/403954061.db2.gz SSYXKXVURAJGBF-UHFFFAOYSA-N 0 0 301.083 2.258 10 30 DEEERN Cn1cc(CCNc2ncc(Br)cc2C#N)cn1 ZINC000295545465 403983077 /nfs/dbraw/zinc/98/30/77/403983077.db2.gz OWGTZJAJGVWVOF-UHFFFAOYSA-N 0 0 306.167 2.104 10 30 DEEERN N#C[C@@H]1CN(C(=O)NCc2ccc(Cl)s2)CCN1C1CC1 ZINC000362849810 403995057 /nfs/dbraw/zinc/99/50/57/403995057.db2.gz DJEUBRXWIYVOJI-LLVKDONJSA-N 0 0 324.837 2.283 10 30 DEEERN C#Cc1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)CCC)cc1 ZINC000295534061 403977208 /nfs/dbraw/zinc/97/72/08/403977208.db2.gz ROWPXDSLSZVHDP-KRWDZBQOSA-N 0 0 312.413 2.465 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H]1CSc2ccccc21 ZINC000348429650 404068629 /nfs/dbraw/zinc/06/86/29/404068629.db2.gz RNLWXADCZNPFEE-ZDUSSCGKSA-N 0 0 304.415 2.374 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N1C[C@H](C)OC(C)(C)C1)CCC2 ZINC000328654894 404124489 /nfs/dbraw/zinc/12/44/89/404124489.db2.gz MGBFBAULBLIVMQ-KBPBESRZSA-N 0 0 320.437 2.482 10 30 DEEERN C[C@@H](C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1cccc(F)c1 ZINC000363254935 404132975 /nfs/dbraw/zinc/13/29/75/404132975.db2.gz OJODFQWMQKDIHN-WBMJQRKESA-N 0 0 301.365 2.128 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1CO)CCC2 ZINC000328652288 404125330 /nfs/dbraw/zinc/12/53/30/404125330.db2.gz KIODGCQJYYKGKI-SOUVJXGZSA-N 0 0 320.437 2.124 10 30 DEEERN C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@](C)(F)C2)c(F)c1 ZINC000296221045 404150137 /nfs/dbraw/zinc/15/01/37/404150137.db2.gz MVTLLALYLFAFSV-INIZCTEOSA-N 0 0 324.302 2.235 10 30 DEEERN O=C(CN1CCc2cncnc2C1)NC(=O)NC1CCCCC1 ZINC000329106192 404231776 /nfs/dbraw/zinc/23/17/76/404231776.db2.gz DHBINMUSIRTIKP-UHFFFAOYSA-N 0 0 317.393 2.038 10 30 DEEERN C=C[C@@H](C)NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000352249400 404244968 /nfs/dbraw/zinc/24/49/68/404244968.db2.gz IZGDADWVQMEZFM-SKDRFNHKSA-N 0 0 313.195 2.356 10 30 DEEERN C=CCOCCNC(=O)N1CC=C(c2cccc(OC)c2)C1 ZINC000363978508 404273828 /nfs/dbraw/zinc/27/38/28/404273828.db2.gz VYCDYCFBISBSHD-UHFFFAOYSA-N 0 0 302.374 2.306 10 30 DEEERN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCCC1)c1nc[nH]n1 ZINC000329246030 404278113 /nfs/dbraw/zinc/27/81/13/404278113.db2.gz QVTMRPFPOPUBGE-JQWIXIFHSA-N 0 0 305.382 2.003 10 30 DEEERN C=CCN(C(=O)C(=O)Nc1cc(-n2cccn2)ccc1C)C1CC1 ZINC000355120422 404228600 /nfs/dbraw/zinc/22/86/00/404228600.db2.gz GSLFNHNIVAHDFX-UHFFFAOYSA-N 0 0 324.384 2.296 10 30 DEEERN C=CC1CCN(C(=O)NCCCNC(=O)c2ccccc2)CC1 ZINC000350088574 404316511 /nfs/dbraw/zinc/31/65/11/404316511.db2.gz MOTDHFPLPJXMSQ-UHFFFAOYSA-N 0 0 315.417 2.414 10 30 DEEERN C[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)c1nc(C(C)(C)C)no1 ZINC000329515916 404364063 /nfs/dbraw/zinc/36/40/63/404364063.db2.gz MKRAKRALFBCIMJ-NNYUYHANSA-N 0 0 323.393 2.436 10 30 DEEERN CC[C@H](C#N)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000344813912 404383741 /nfs/dbraw/zinc/38/37/41/404383741.db2.gz YRCJXPMKWHNLFV-KBXIAJHMSA-N 0 0 313.405 2.032 10 30 DEEERN C=CCN(C(=O)[C@H]1CCO[C@H]1C)c1nc(C(=O)OCC)cs1 ZINC000356017805 404385831 /nfs/dbraw/zinc/38/58/31/404385831.db2.gz VVDHFOOBMIRUFG-QWRGUYRKSA-N 0 0 324.402 2.264 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)c1ccc(CN2CCOCC2)cn1 ZINC000356047730 404387860 /nfs/dbraw/zinc/38/78/60/404387860.db2.gz CTEKCVSGIHOUPM-INIZCTEOSA-N 0 0 315.417 2.095 10 30 DEEERN C=CCCN(C)C(=O)NCCc1cnc2c(Cl)cnn2c1 ZINC000297208741 404501123 /nfs/dbraw/zinc/50/11/23/404501123.db2.gz OSWSDRJSCVCZBA-UHFFFAOYSA-N 0 0 307.785 2.143 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000342312689 404501783 /nfs/dbraw/zinc/50/17/83/404501783.db2.gz FOURJCOPVQGCAV-JKSUJKDBSA-N 0 0 322.449 2.219 10 30 DEEERN CO[C@]1(C)CCCN(C(=O)NC[C@@H]2CCCn3cc(C)nc32)C1 ZINC000329957457 404507943 /nfs/dbraw/zinc/50/79/43/404507943.db2.gz QEZYUGQWMAGUIA-WMLDXEAASA-N 0 0 320.437 2.484 10 30 DEEERN CN(C(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccc(F)cc1 ZINC000372746281 404510897 /nfs/dbraw/zinc/51/08/97/404510897.db2.gz VZDODIBQZHMFJD-OAHLLOKOSA-N 0 0 302.353 2.054 10 30 DEEERN Cc1ccc(-n2cccn2)cc1NC(=O)N(C)[C@H]1CCOC1 ZINC000329990867 404518553 /nfs/dbraw/zinc/51/85/53/404518553.db2.gz JJZKCAIBOKNNKR-AWEZNQCLSA-N 0 0 300.362 2.447 10 30 DEEERN C=C(C)CCSCC(=O)N[C@H](C(=O)NC)c1ccccc1 ZINC000350717741 404449333 /nfs/dbraw/zinc/44/93/33/404449333.db2.gz BCYCCMCPYUYRQT-HNNXBMFYSA-N 0 0 306.431 2.289 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)NCC[C@H]2CCOC2)cc1 ZINC000344937879 404458012 /nfs/dbraw/zinc/45/80/12/404458012.db2.gz BIUWFJDKOCOJRA-ZDUSSCGKSA-N 0 0 317.389 2.151 10 30 DEEERN Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)[nH]n1 ZINC000330198063 404582522 /nfs/dbraw/zinc/58/25/22/404582522.db2.gz SRYQVYJXMUXMFR-PSOPSSQASA-N 0 0 317.393 2.117 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CC[C@@](CO)(CCC)C2)cc1 ZINC000297685228 404590626 /nfs/dbraw/zinc/59/06/26/404590626.db2.gz PZVURKUOJJVAGU-SFHVURJKSA-N 0 0 300.402 2.362 10 30 DEEERN COc1cc(C#N)ccc1OCC(=O)N1CCCC12CCC2 ZINC000373130459 404530014 /nfs/dbraw/zinc/53/00/14/404530014.db2.gz LREMEKGASTUWGI-UHFFFAOYSA-N 0 0 300.358 2.491 10 30 DEEERN C=CCC1(C(=O)N[C@H]2CCN(C(=O)c3cccnc3)C2)CCC1 ZINC000365055296 404556292 /nfs/dbraw/zinc/55/62/92/404556292.db2.gz USTKEVJYBUIGBH-HNNXBMFYSA-N 0 0 313.401 2.159 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000297801570 404627182 /nfs/dbraw/zinc/62/71/82/404627182.db2.gz LBWJJSCMKMHAAZ-CQSZACIVSA-N 0 0 318.421 2.115 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@H]1c1c(C)n[nH]c1C ZINC000297801569 404627876 /nfs/dbraw/zinc/62/78/76/404627876.db2.gz LBWJJSCMKMHAAZ-AWEZNQCLSA-N 0 0 318.421 2.115 10 30 DEEERN C[C@H]1CCOCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000365552286 404689707 /nfs/dbraw/zinc/68/97/07/404689707.db2.gz AEKRZGOVLZZJKF-WMLDXEAASA-N 0 0 313.401 2.164 10 30 DEEERN C=CCSCCNC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000357354711 404733018 /nfs/dbraw/zinc/73/30/18/404733018.db2.gz JNPKPLOCQLYLNI-LLVKDONJSA-N 0 0 312.357 2.004 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1oc2ccccc2c1OC ZINC000353005591 404717920 /nfs/dbraw/zinc/71/79/20/404717920.db2.gz MONVXUNJNVFQKJ-NSHDSACASA-N 0 0 304.346 2.178 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CNC(=O)c1ccccc1C ZINC000353012859 404720420 /nfs/dbraw/zinc/72/04/20/404720420.db2.gz OXOKDZNQQBYKGR-UHFFFAOYSA-N 0 0 314.307 2.302 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N[C@H](C)c1c(F)cccc1OC ZINC000358971131 404780221 /nfs/dbraw/zinc/78/02/21/404780221.db2.gz FMBCLLUNLUEWCH-GFCCVEGCSA-N 0 0 322.380 2.436 10 30 DEEERN CC(C)(C#N)CNC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000359653395 404800179 /nfs/dbraw/zinc/80/01/79/404800179.db2.gz OXOKNNQWARUHFW-CQSZACIVSA-N 0 0 315.373 2.084 10 30 DEEERN C=CCOCCNS(=O)(=O)N1CCC2(CCCCC2)CC1 ZINC000360639192 404833291 /nfs/dbraw/zinc/83/32/91/404833291.db2.gz QJGKYIWVRANECZ-UHFFFAOYSA-N 0 0 316.467 2.070 10 30 DEEERN C=CCCCCNC(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000366744659 404840834 /nfs/dbraw/zinc/84/08/34/404840834.db2.gz ZTZCLLMOZVJODV-UHFFFAOYSA-N 0 0 317.437 2.470 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N(CCOC)Cc1scnc1C ZINC000451247534 404918954 /nfs/dbraw/zinc/91/89/54/404918954.db2.gz MXTFHTUECNNVIM-OLZOCXBDSA-N 0 0 310.419 2.018 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000434833259 404938687 /nfs/dbraw/zinc/93/86/87/404938687.db2.gz VPLOJZGKRHSXPL-SNVBAGLBSA-N 0 0 307.419 2.241 10 30 DEEERN Cn1c(CN2CCO[C@H](c3cccc(C#N)c3)C2)nnc1C1CC1 ZINC000367128732 404940500 /nfs/dbraw/zinc/94/05/00/404940500.db2.gz GFOVKOAXSGBYAL-INIZCTEOSA-N 0 0 323.400 2.138 10 30 DEEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCO[C@@H](CF)C1 ZINC000424123618 405014196 /nfs/dbraw/zinc/01/41/96/405014196.db2.gz KQMLWFRWWGUCSL-RYUDHWBXSA-N 0 0 312.414 2.207 10 30 DEEERN C=CCn1c([C@@H]2CCCS2)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000424130249 405016627 /nfs/dbraw/zinc/01/66/27/405016627.db2.gz URQCRNKTONRBAR-XQQFMLRXSA-N 0 0 306.435 2.400 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)s1 ZINC000435428996 404978410 /nfs/dbraw/zinc/97/84/10/404978410.db2.gz UJOJPVCFZHYUDF-QMMMGPOBSA-N 0 0 306.359 2.476 10 30 DEEERN C=CCN(CC(=O)N1CCOC[C@H]1C1CC1)Cc1ccccc1 ZINC000367240953 404979206 /nfs/dbraw/zinc/97/92/06/404979206.db2.gz OOYSCXPFVRPLBG-SFHVURJKSA-N 0 0 314.429 2.312 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1nc(COC)cs1 ZINC000436387131 405076745 /nfs/dbraw/zinc/07/67/45/405076745.db2.gz QCACVHJWRMRKCH-JQWIXIFHSA-N 0 0 311.407 2.392 10 30 DEEERN C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CCO1 ZINC000408074204 405105738 /nfs/dbraw/zinc/10/57/38/405105738.db2.gz OWSMFRYNRNPQJF-GXSJLCMTSA-N 0 0 314.794 2.057 10 30 DEEERN C=CCC1(CNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CCCC1 ZINC000451952434 405106986 /nfs/dbraw/zinc/10/69/86/405106986.db2.gz PBVODSMXIXZPAS-KBPBESRZSA-N 0 0 316.467 2.067 10 30 DEEERN C=CCC1(C(=O)NCCCn2nc(C)cc2C)CCOCC1 ZINC000424542659 405113308 /nfs/dbraw/zinc/11/33/08/405113308.db2.gz LPCBTGMYXSYASW-UHFFFAOYSA-N 0 0 305.422 2.379 10 30 DEEERN C=C(C)CN(CC)S(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000416361143 405121150 /nfs/dbraw/zinc/12/11/50/405121150.db2.gz MHLIZYOAJUQESS-UHFFFAOYSA-N 0 0 307.366 2.253 10 30 DEEERN C=CCC1(C(=O)NC[C@@H]2Cc3ccccc3O2)CCOCC1 ZINC000424584663 405122787 /nfs/dbraw/zinc/12/27/87/405122787.db2.gz PROVTMAKSXNOMK-HNNXBMFYSA-N 0 0 301.386 2.479 10 30 DEEERN C=CCC1(C(=O)NCC(=O)Nc2cccc(F)c2)CCOCC1 ZINC000424628305 405133138 /nfs/dbraw/zinc/13/31/38/405133138.db2.gz PPXNBCAVWZODQR-UHFFFAOYSA-N 0 0 320.364 2.253 10 30 DEEERN C=CCc1cc(/C=C/c2cc(=O)n3[nH]cnc3n2)cc(OC)c1O ZINC000436933684 405164393 /nfs/dbraw/zinc/16/43/93/405164393.db2.gz QTOUWXCPLQWWJP-AATRIKPKSA-N 0 0 324.340 2.031 10 30 DEEERN C[C@@H](NC(=O)c1ccc(C#N)n1C)[C@H]1OCCc2sccc21 ZINC000452130392 405188917 /nfs/dbraw/zinc/18/89/17/405188917.db2.gz YDQUHIOYVYBQNS-MEBBXXQBSA-N 0 0 315.398 2.391 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000408414453 405202426 /nfs/dbraw/zinc/20/24/26/405202426.db2.gz YGOLOULZJHKSJG-UHFFFAOYSA-N 0 0 313.401 2.338 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000354437615 405211985 /nfs/dbraw/zinc/21/19/85/405211985.db2.gz AGYZKCLGIOQPFJ-KRWDZBQOSA-N 0 0 322.474 2.282 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN1c1ccccc1 ZINC000424927146 405213977 /nfs/dbraw/zinc/21/39/77/405213977.db2.gz VRBLPVWIGGFPSB-UAGQMJEPSA-N 0 0 300.402 2.363 10 30 DEEERN C=CCC1(C(=O)Nc2cccc(C(=O)OC)c2O)CCOCC1 ZINC000424763175 405172016 /nfs/dbraw/zinc/17/20/16/405172016.db2.gz ZRXZMLNSHAUSNW-UHFFFAOYSA-N 0 0 319.357 2.490 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCO)Cc1ccc(C)o1 ZINC000438454635 405247178 /nfs/dbraw/zinc/24/71/78/405247178.db2.gz LJEXRRPSUFRFEK-ZBFHGGJFSA-N 0 0 322.405 2.073 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCOC)[C@@H]1CC[C@H](C)C1 ZINC000425857777 405324761 /nfs/dbraw/zinc/32/47/61/405324761.db2.gz PTFZUPJYIHBTCS-JONQDZQNSA-N 0 0 310.438 2.424 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000425440029 405291059 /nfs/dbraw/zinc/29/10/59/405291059.db2.gz CGDWLSRRBAZKJP-ZFWWWQNUSA-N 0 0 319.361 2.028 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C)Oc1ccccc1F ZINC000425452140 405292795 /nfs/dbraw/zinc/29/27/95/405292795.db2.gz YMUYBUPUPYXSRH-YDHLFZDLSA-N 0 0 322.380 2.483 10 30 DEEERN C=CCN1CC[C@H](N2CCC[C@@H](C)[C@@H]2C(=O)OC(C)(C)C)C1=O ZINC000425505150 405299544 /nfs/dbraw/zinc/29/95/44/405299544.db2.gz ARCSLJOESKLPKM-QLFBSQMISA-N 0 0 322.449 2.216 10 30 DEEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1ccccc1N(C)C(C)=O ZINC000440261920 405307505 /nfs/dbraw/zinc/30/75/05/405307505.db2.gz ZVAMRRSKPQXQSR-ZDUSSCGKSA-N 0 0 317.389 2.079 10 30 DEEERN C=CC(C)(C)CNC(=O)NCCc1cnc2c(Cl)cnn2c1 ZINC000455140393 405379953 /nfs/dbraw/zinc/37/99/53/405379953.db2.gz OLSOEEPWUFUHBG-UHFFFAOYSA-N 0 0 321.812 2.437 10 30 DEEERN C=CC(C)(C)CNC(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000455389074 405403808 /nfs/dbraw/zinc/40/38/08/405403808.db2.gz SPENRGCZKFMUNE-AWEZNQCLSA-N 0 0 320.437 2.332 10 30 DEEERN CN(CCOc1ccc(F)cc1)C(=O)c1ccc(C#N)n1C ZINC000448612756 405427707 /nfs/dbraw/zinc/42/77/07/405427707.db2.gz AVGFKICYDXCSAW-UHFFFAOYSA-N 0 0 301.321 2.187 10 30 DEEERN CC(C)(C#N)CC(=O)N1CSC[C@H]1C(=O)Nc1ccccc1 ZINC000447311284 405409671 /nfs/dbraw/zinc/40/96/71/405409671.db2.gz AMTDITFAHCSXGS-ZDUSSCGKSA-N 0 0 317.414 2.466 10 30 DEEERN C=CCN(Cc1cc(C)ncn1)S(=O)(=O)c1cccs1 ZINC000427512197 405409827 /nfs/dbraw/zinc/40/98/27/405409827.db2.gz RYIRIGAGHMFPGA-UHFFFAOYSA-N 0 0 309.416 2.223 10 30 DEEERN C=CCOc1cccc(NC(=O)NCC[C@](C)(O)COC)c1 ZINC000454573286 405366051 /nfs/dbraw/zinc/36/60/51/405366051.db2.gz HEPUJWKGXSOHCW-INIZCTEOSA-N 0 0 308.378 2.160 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000454604172 405370209 /nfs/dbraw/zinc/37/02/09/405370209.db2.gz KBBYOEXKRLYARP-AWEZNQCLSA-N 0 0 316.361 2.494 10 30 DEEERN Cn1c(C#N)ccc1C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000448725796 405441712 /nfs/dbraw/zinc/44/17/12/405441712.db2.gz NPUYGLQLQOXPLQ-UHFFFAOYSA-N 0 0 322.368 2.271 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000577724073 405498743 /nfs/dbraw/zinc/49/87/43/405498743.db2.gz CSEKJWYAKOLDRR-WOPDTQHZSA-N 0 0 322.409 2.318 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1sc([C@@H]2CCCOC2)nc1C ZINC000456772479 405558889 /nfs/dbraw/zinc/55/88/89/405558889.db2.gz WXHUCDGYWVXKIK-CHWSQXEVSA-N 0 0 324.446 2.402 10 30 DEEERN C=CCC[C@H](CO)NC(=O)[C@H](C)Cn1ncc2ccccc21 ZINC000456759006 405553757 /nfs/dbraw/zinc/55/37/57/405553757.db2.gz DMKZCIDLCBVYSK-UKRRQHHQSA-N 0 0 301.390 2.116 10 30 DEEERN C=CCN1CC[C@H](N(C)C[C@@H](OC)c2ccc(F)cc2)C1=O ZINC000528493837 405634625 /nfs/dbraw/zinc/63/46/25/405634625.db2.gz IMLGALFRGQWRGB-JKSUJKDBSA-N 0 0 306.381 2.232 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000633411142 405628476 /nfs/dbraw/zinc/62/84/76/405628476.db2.gz YOOVSOGBVHMNOI-KBPBESRZSA-N 0 0 307.438 2.289 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000458788280 405593084 /nfs/dbraw/zinc/59/30/84/405593084.db2.gz ZVKTUFSINLGREO-IUODEOHRSA-N 0 0 322.380 2.448 10 30 DEEERN COc1cc(F)cc(C[C@H](C)NC(=O)c2ccc(C#N)n2C)c1 ZINC000457063093 405675571 /nfs/dbraw/zinc/67/55/71/405675571.db2.gz FRGUMZGURCYLDZ-NSHDSACASA-N 0 0 315.348 2.405 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCc1nc2ccccc2o1 ZINC000558691897 405690020 /nfs/dbraw/zinc/69/00/20/405690020.db2.gz ZLKIGOPCAUBPKQ-MLGOLLRUSA-N 0 0 300.358 2.468 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@@]1(C)Oc2ccccc2NC1=O ZINC000633668978 405778643 /nfs/dbraw/zinc/77/86/43/405778643.db2.gz JFDUEGSRPKIACT-QGZVFWFLSA-N 0 0 302.374 2.495 10 30 DEEERN C=CCOc1cccc(NC(=O)NCCc2cn(C)cn2)c1 ZINC000459186095 405789887 /nfs/dbraw/zinc/78/98/87/405789887.db2.gz UEWUIEIPYFKGDL-UHFFFAOYSA-N 0 0 300.362 2.349 10 30 DEEERN C=C[C@](C)(O)C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000633771409 405829153 /nfs/dbraw/zinc/82/91/53/405829153.db2.gz UTQWYOGFBKKZAL-ZRQNBYAXSA-N 0 0 322.202 2.140 10 30 DEEERN C=CCOCC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000633729416 405813271 /nfs/dbraw/zinc/81/32/71/405813271.db2.gz LTFXCSWWUVOOPD-UHFFFAOYSA-N 0 0 317.239 2.333 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCc2c1cccc2O ZINC000584049647 405813838 /nfs/dbraw/zinc/81/38/38/405813838.db2.gz BHLNHENTKMTCQG-PEYYIBSZSA-N 0 0 302.374 2.270 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COc2ccc(O)cc2O1 ZINC000633646383 405765253 /nfs/dbraw/zinc/76/52/53/405765253.db2.gz CPVKXWPFWLYEGU-OZVIIMIRSA-N 0 0 301.342 2.242 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@@H]2CCOC[C@H]2C)c(OC)c1 ZINC000432442619 405767128 /nfs/dbraw/zinc/76/71/28/405767128.db2.gz OVYBFBYIUZFVCM-UKRRQHHQSA-N 0 0 319.401 2.344 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000457542309 405889756 /nfs/dbraw/zinc/88/97/56/405889756.db2.gz UVDWFXWSNDYBCB-QWHCGFSZSA-N 0 0 322.405 2.391 10 30 DEEERN N#Cc1cccc(CC(=O)N(CCC(N)=O)c2ccccc2)c1 ZINC000530674449 405843437 /nfs/dbraw/zinc/84/34/37/405843437.db2.gz CVWPNCIOGDILSD-UHFFFAOYSA-N 0 0 307.353 2.009 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000633963557 405933462 /nfs/dbraw/zinc/93/34/62/405933462.db2.gz MSQDJJUOXDJEJH-UHFFFAOYSA-N 0 0 309.454 2.489 10 30 DEEERN CCNC(=O)c1cccc(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000531147528 405913915 /nfs/dbraw/zinc/91/39/15/405913915.db2.gz UFHHROYDWKJIAK-UHFFFAOYSA-N 0 0 307.353 2.489 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OCCC1CS(=O)(=O)C1 ZINC000562504034 406019813 /nfs/dbraw/zinc/01/98/13/406019813.db2.gz KATAHXNIWBPORV-UHFFFAOYSA-N 0 0 311.359 2.137 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)c1cn(C)nc1C ZINC000636594010 406021135 /nfs/dbraw/zinc/02/11/35/406021135.db2.gz DYASPQMRSNAEKH-LBPRGKRZSA-N 0 0 320.437 2.014 10 30 DEEERN C=CCn1cc(CNC(=O)N2CCC[C@@]3(CC=CCC3)C2)nn1 ZINC000515835902 406082328 /nfs/dbraw/zinc/08/23/28/406082328.db2.gz OSVMTNWAQJEVEI-KRWDZBQOSA-N 0 0 315.421 2.496 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](CC)C1CCOCC1 ZINC000636811737 406088560 /nfs/dbraw/zinc/08/85/60/406088560.db2.gz XZVDYCMIQWUQMR-OAHLLOKOSA-N 0 0 324.465 2.416 10 30 DEEERN C=CCCCCCNC(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000566434948 406089126 /nfs/dbraw/zinc/08/91/26/406089126.db2.gz KIRMTDMDNKOHGW-CABCVRRESA-N 0 0 307.438 2.433 10 30 DEEERN CC#CCCCC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)OC ZINC000467510003 406096550 /nfs/dbraw/zinc/09/65/50/406096550.db2.gz DNUUOYCPSGMJLB-OAHLLOKOSA-N 0 0 319.376 2.467 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H](C)c1nccs1 ZINC000636845359 406097684 /nfs/dbraw/zinc/09/76/84/406097684.db2.gz NAXVXSZVAIMGEN-LLVKDONJSA-N 0 0 309.435 2.081 10 30 DEEERN CC#CCCCC(=O)N1CCc2nnn(C3CC(C)C3)c2C1 ZINC000634227936 406063367 /nfs/dbraw/zinc/06/33/67/406063367.db2.gz RUPGCEISEWRXQN-UHFFFAOYSA-N 0 0 300.406 2.327 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1c(C)nn(C(C)C)c1C ZINC000564859123 406066417 /nfs/dbraw/zinc/06/64/17/406066417.db2.gz WDPWXOSKXXJFNV-HOCLYGCPSA-N 0 0 305.422 2.331 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCC1CCC(OC)CC1 ZINC000636736398 406067315 /nfs/dbraw/zinc/06/73/15/406067315.db2.gz IUNWRIPIOMABAM-UHFFFAOYSA-N 0 0 324.465 2.416 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCC2(CCOCC2)C1 ZINC000517363119 406125891 /nfs/dbraw/zinc/12/58/91/406125891.db2.gz KVXIBHNPAWTBCT-GJZGRUSLSA-N 0 0 308.422 2.180 10 30 DEEERN C=C1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000518181694 406129430 /nfs/dbraw/zinc/12/94/30/406129430.db2.gz MOOZGAXZABEHLZ-UHFFFAOYSA-N 0 0 313.806 2.292 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCOCC1CCCC1 ZINC000636951565 406131777 /nfs/dbraw/zinc/13/17/77/406131777.db2.gz LLQXPHIHXAPGIA-UHFFFAOYSA-N 0 0 310.438 2.028 10 30 DEEERN Cc1ccc(N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)nc1C#N ZINC000518579863 406148881 /nfs/dbraw/zinc/14/88/81/406148881.db2.gz CFZIPXFCTKUIHH-CQSZACIVSA-N 0 0 324.388 2.015 10 30 DEEERN C=CCCCNC(=O)NCC1(OCCO)CCC(F)(F)CC1 ZINC000637103569 406178227 /nfs/dbraw/zinc/17/82/27/406178227.db2.gz YOHKYNDGHCIUCY-UHFFFAOYSA-N 0 0 320.380 2.209 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000632563587 406183664 /nfs/dbraw/zinc/18/36/64/406183664.db2.gz XAOKKBYYOFMMNC-GJZGRUSLSA-N 0 0 323.481 2.036 10 30 DEEERN C=CCn1c(SC[C@H](O)CC2(O)CCC2)nnc1C1CC1 ZINC000634638052 406202728 /nfs/dbraw/zinc/20/27/28/406202728.db2.gz HOFLDOHRDPBXSW-GFCCVEGCSA-N 0 0 309.435 2.100 10 30 DEEERN C=CCC1(CNC(=O)NC2CN(c3ccncn3)C2)CCCC1 ZINC000637197502 406208343 /nfs/dbraw/zinc/20/83/43/406208343.db2.gz ITLGEDPEPNEESJ-UHFFFAOYSA-N 0 0 315.421 2.101 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1CCO ZINC000632663141 406219322 /nfs/dbraw/zinc/21/93/22/406219322.db2.gz VIHYIMKCFKCDCX-LSDHHAIUSA-N 0 0 324.465 2.105 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(OC)ccc1OC ZINC000519761923 406249520 /nfs/dbraw/zinc/24/95/20/406249520.db2.gz IEFDJLMEGMUPGB-FZMZJTMJSA-N 0 0 306.362 2.416 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@@H]1Cc2ccccc2NC1=O ZINC000637322487 406257947 /nfs/dbraw/zinc/25/79/47/406257947.db2.gz AXZXPNNTQLAEPM-CQSZACIVSA-N 0 0 301.390 2.451 10 30 DEEERN Cn1cc([C@@H](NC(=O)c2cccc(C#N)c2)C(F)(F)F)cn1 ZINC000487773660 406262489 /nfs/dbraw/zinc/26/24/89/406262489.db2.gz SLFYDXJDJUQGHK-GFCCVEGCSA-N 0 0 308.263 2.325 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCc1nnc2n1CCCC2 ZINC000632980427 406344094 /nfs/dbraw/zinc/34/40/94/406344094.db2.gz DUICWVVFQMKFHK-UHFFFAOYSA-N 0 0 305.426 2.406 10 30 DEEERN C=CC[C@@H](C)NC(=O)N1CCc2nnn(C3CC(C)C3)c2C1 ZINC000633019371 406355549 /nfs/dbraw/zinc/35/55/49/406355549.db2.gz DTVVGOBBFYTLTE-OTTFEQOBSA-N 0 0 303.410 2.281 10 30 DEEERN C=CCn1c(C(=O)N2CCCC2)nnc1N1CCCCC[C@H]1C ZINC000570437988 406393226 /nfs/dbraw/zinc/39/32/26/406393226.db2.gz KVBWSVCRTPWRSK-CQSZACIVSA-N 0 0 317.437 2.469 10 30 DEEERN C=CCC1(NC(=O)NC2CN(c3ccncn3)C2)CCCCC1 ZINC000637706153 406398698 /nfs/dbraw/zinc/39/86/98/406398698.db2.gz CRIQPHGZCLZBDN-UHFFFAOYSA-N 0 0 315.421 2.243 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCOC[C@H]1c1noc(C)n1 ZINC000637621071 406368005 /nfs/dbraw/zinc/36/80/05/406368005.db2.gz LGKMIKIOWPOJMW-ZDUSSCGKSA-N 0 0 322.409 2.453 10 30 DEEERN C=CCNC(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000489096408 406377525 /nfs/dbraw/zinc/37/75/25/406377525.db2.gz DAYTYSDISNTPMA-NSHDSACASA-N 0 0 316.323 2.342 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(OC)c(C)c(OC)c1 ZINC000571158824 406484269 /nfs/dbraw/zinc/48/42/69/406484269.db2.gz XOZKMHDWPBPCJT-JSGCOSHPSA-N 0 0 305.374 2.333 10 30 DEEERN N#Cc1ccsc1C(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000491187249 406539896 /nfs/dbraw/zinc/53/98/96/406539896.db2.gz NIXBDZLRXJLFAB-GFCCVEGCSA-N 0 0 306.387 2.078 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)C[C@@H]1CCCS1(=O)=O ZINC000635443055 406539878 /nfs/dbraw/zinc/53/98/78/406539878.db2.gz DPEWTVFNIBEEAO-INIZCTEOSA-N 0 0 321.442 2.211 10 30 DEEERN C=CCC[C@@H](NC(=O)C1=CCS(=O)(=O)C1)c1ccccc1 ZINC000635718220 406701658 /nfs/dbraw/zinc/70/16/58/406701658.db2.gz YXXLYZUJKLILQH-OAHLLOKOSA-N 0 0 305.399 2.165 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@@H](C)c1cncc(F)c1 ZINC000574218576 406780523 /nfs/dbraw/zinc/78/05/23/406780523.db2.gz DYTLRRIZIQETTP-LBPRGKRZSA-N 0 0 307.369 2.261 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1C[S@@](C)=O ZINC000575176453 406789739 /nfs/dbraw/zinc/78/97/39/406789739.db2.gz LDOOGAJWRQWTLR-FIKRCHLTSA-N 0 0 322.430 2.278 10 30 DEEERN CCOc1c(C#N)c(I)ccc1[N+](=O)[O-] ZINC000575671724 406817443 /nfs/dbraw/zinc/81/74/43/406817443.db2.gz VRHLUEKQCTZYRS-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN CCOC(=O)Cc1cc(C#N)cc(OC(F)(F)F)c1C=O ZINC000575390870 406808796 /nfs/dbraw/zinc/80/87/96/406808796.db2.gz HPDQCAIOQVNFEV-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN CCOC(=O)Cc1cc(OC(F)(F)F)cc(C=O)c1C#N ZINC000575390915 406808840 /nfs/dbraw/zinc/80/88/40/406808840.db2.gz JHMRYIKERYBFRG-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN COC(=O)Cc1c(OC(F)(F)F)ccc([N+](=O)[O-])c1C#N ZINC000575395477 406809102 /nfs/dbraw/zinc/80/91/02/406809102.db2.gz FBTKCFHANQVNOX-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN CCOC(=O)Cc1cc(C#N)c(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000575395916 406809902 /nfs/dbraw/zinc/80/99/02/406809902.db2.gz WGMUBMQBDHZZES-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN CCOc1cc(N)cc(CC#N)c1I ZINC000575718049 406823541 /nfs/dbraw/zinc/82/35/41/406823541.db2.gz OLDXYGQRPRYJPD-UHFFFAOYSA-N 0 0 302.115 2.338 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1c2ccccc2O[C@@H]1C ZINC000576152271 406829197 /nfs/dbraw/zinc/82/91/97/406829197.db2.gz WEUHAQFLUPACCP-TWJWRFFLSA-N 0 0 302.374 2.399 10 30 DEEERN Cn1cc(NC(=O)c2ccc(C#CCCO)c(Cl)c2)cn1 ZINC000128629083 195979882 /nfs/dbraw/zinc/97/98/82/195979882.db2.gz XXRXWEGDUDXHFA-UHFFFAOYSA-N 0 0 303.749 2.060 10 30 DEEERN C#CC[C@@H](C)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000129192096 196027247 /nfs/dbraw/zinc/02/72/47/196027247.db2.gz QXTSYGQGGOFMMR-SSDOTTSWSA-N 0 0 307.202 2.266 10 30 DEEERN COc1ccc(C#CCO)cc1CSc1nc(C)ns1 ZINC000130990267 196129345 /nfs/dbraw/zinc/12/93/45/196129345.db2.gz LHRQZDBEZADYBF-UHFFFAOYSA-N 0 0 306.412 2.491 10 30 DEEERN O=C(NCCCC(F)(F)F)c1cc(C#CCO)ccc1F ZINC000131047449 196134409 /nfs/dbraw/zinc/13/44/09/196134409.db2.gz WDXASIBCBJQNGY-UHFFFAOYSA-N 0 0 303.255 2.242 10 30 DEEERN Cc1ncc(CNC(=O)c2cc(C)cc(C#CCO)c2)s1 ZINC000131605281 196183695 /nfs/dbraw/zinc/18/36/95/196183695.db2.gz HAQWBATVKFYPLL-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN CC1(C)[C@@H]2C(=O)N(c3ccc(Br)cc3C#N)C(=O)[C@@H]21 ZINC000132565978 196266218 /nfs/dbraw/zinc/26/62/18/196266218.db2.gz IYMWWGWRRNVLPG-PHIMTYICSA-N 0 0 319.158 2.466 10 30 DEEERN CS[C@@H](C)CCNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000134328049 196379107 /nfs/dbraw/zinc/37/91/07/196379107.db2.gz QQSOYKBHSXPUJE-VIFPVBQESA-N 0 0 302.396 2.117 10 30 DEEERN N#C[C@@]1([C@@H](O)c2ccc(Cl)c(Cl)c2)CCS(=O)(=O)C1 ZINC000134627224 196408058 /nfs/dbraw/zinc/40/80/58/196408058.db2.gz WOXRXIPVNMQWHJ-RYUDHWBXSA-N 0 0 320.197 2.355 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000135972554 196512538 /nfs/dbraw/zinc/51/25/38/196512538.db2.gz HVJYFRIPMNYNDB-UHFFFAOYSA-N 0 0 302.327 2.321 10 30 DEEERN O=C(N[C@@H]1CCCSC1)c1ccc(C#CCCO)c(F)c1 ZINC000136573153 196542292 /nfs/dbraw/zinc/54/22/92/196542292.db2.gz MASSZJZUYMJUHQ-CQSZACIVSA-N 0 0 307.390 2.185 10 30 DEEERN N#Cc1ccc(C2(C(=O)NC[C@@H](CO)c3ccccc3)CC2)cc1 ZINC000188320918 225017061 /nfs/dbraw/zinc/01/70/61/225017061.db2.gz HPYNGCXQOQESOF-KRWDZBQOSA-N 0 0 320.392 2.482 10 30 DEEERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C#N)C2CCCCC2)n1 ZINC000191695442 225115990 /nfs/dbraw/zinc/11/59/90/225115990.db2.gz UNBDWARHAPXMOY-NSHDSACASA-N 0 0 305.338 2.013 10 30 DEEERN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N[C@@H]2CC2(C)C)cn1 ZINC000330177457 225975948 /nfs/dbraw/zinc/97/59/48/225975948.db2.gz KRYKUVXNKZCVJK-BZPMIXESSA-N 0 0 319.409 2.365 10 30 DEEERN N#C[C@@H]1CN(C(=O)NCc2ccccc2Cl)CCN1C1CC1 ZINC000369232838 227028023 /nfs/dbraw/zinc/02/80/23/227028023.db2.gz QVHPKOANHVAENW-CQSZACIVSA-N 0 0 318.808 2.222 10 30 DEEERN CCn1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c2ccccc21 ZINC000370998836 227061567 /nfs/dbraw/zinc/06/15/67/227061567.db2.gz KXLCNZHLYGPRRH-HNNXBMFYSA-N 0 0 322.412 2.474 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2ccc(OC(F)F)cc2)CCN1C1CC1 ZINC000370983674 227062314 /nfs/dbraw/zinc/06/23/14/227062314.db2.gz BQYNCPWBEZPLOJ-CYBMUJFWSA-N 0 0 321.327 2.100 10 30 DEEERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000372760867 227098278 /nfs/dbraw/zinc/09/82/78/227098278.db2.gz LFSJMGOADJKVNJ-KFWWJZLASA-N 0 0 315.442 2.359 10 30 DEEERN CCOc1ccc(CN2CCN(C3CC3)[C@@H](C#N)C2)cc1F ZINC000373353905 227108935 /nfs/dbraw/zinc/10/89/35/227108935.db2.gz JCDAOBSJSJWGPT-HNNXBMFYSA-N 0 0 303.381 2.397 10 30 DEEERN C=C(C)Cn1c(-c2cccn2C)nnc1N1CCOC[C@@H]1C ZINC000290973256 222039087 /nfs/dbraw/zinc/03/90/87/222039087.db2.gz IUXKDFUWCVSTAH-ZDUSSCGKSA-N 0 0 301.394 2.085 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@H]1CCN(c2ccccc2F)C1 ZINC000291295354 222293043 /nfs/dbraw/zinc/29/30/43/222293043.db2.gz QLUBYAANXUWTCV-HNNXBMFYSA-N 0 0 312.388 2.431 10 30 DEEERN N#C[C@@H]1CN(C(=O)CCc2ccccc2Cl)CCN1C1CC1 ZINC000376511870 227171152 /nfs/dbraw/zinc/17/11/52/227171152.db2.gz DWQZRZVKITZVHK-OAHLLOKOSA-N 0 0 317.820 2.471 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1[nH]nc(C2CC2)c1Br ZINC000408331570 227230850 /nfs/dbraw/zinc/23/08/50/227230850.db2.gz RLPUAOBUNMVYQI-IUCAKERBSA-N 0 0 323.194 2.472 10 30 DEEERN N#Cc1cc([N+](=O)[O-])ccc1NC[C@H](CO)Cc1ccccn1 ZINC000301567951 229751028 /nfs/dbraw/zinc/75/10/28/229751028.db2.gz QIDYDLOYDSXIJM-GFCCVEGCSA-N 0 0 312.329 2.125 10 30 DEEERN CCc1nnc(NC(=O)NCc2ccc(C#N)cc2F)s1 ZINC000609252619 422463008 /nfs/dbraw/zinc/46/30/08/422463008.db2.gz WTGOTSSOBAUHEK-UHFFFAOYSA-N 0 0 305.338 2.433 10 30 DEEERN CCc1n[nH]cc1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000611583969 422478856 /nfs/dbraw/zinc/47/88/56/422478856.db2.gz PAJNZZQXKQOWJF-UHFFFAOYSA-N 0 0 324.319 2.421 10 30 DEEERN C=CC(C)(C)CCNC(=O)Nc1nc2nc(C)cc(C)n2n1 ZINC000629427838 422669049 /nfs/dbraw/zinc/66/90/49/422669049.db2.gz QRNRYRWYBYBGND-UHFFFAOYSA-N 0 0 302.382 2.465 10 30 DEEERN N#CC1(NC(=O)CCc2nc(-c3ccncc3)no2)CCCC1 ZINC000192819504 424865660 /nfs/dbraw/zinc/86/56/60/424865660.db2.gz VEZAVRWGSUKWAP-UHFFFAOYSA-N 0 0 311.345 2.017 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@H](CC(=O)OC)c1ccccc1 ZINC000194400816 424876355 /nfs/dbraw/zinc/87/63/55/424876355.db2.gz RASXZDZMOPWPJA-UKRRQHHQSA-N 0 0 305.374 2.388 10 30 DEEERN C=CCSCCNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000194506542 424876731 /nfs/dbraw/zinc/87/67/31/424876731.db2.gz SVAKRSJGKGJRPI-GFCCVEGCSA-N 0 0 307.419 2.232 10 30 DEEERN C#Cc1cccc(NC(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)c1 ZINC000375070539 424891407 /nfs/dbraw/zinc/89/14/07/424891407.db2.gz NPHFCJIVGJCVBB-CQSZACIVSA-N 0 0 321.384 2.452 10 30 DEEERN C#CCCNC(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000377178194 424901227 /nfs/dbraw/zinc/90/12/27/424901227.db2.gz IWWCDLJRVKIRND-UHFFFAOYSA-N 0 0 322.290 3.036 10 30 DEEERN C=CCOc1cccnc1C(=O)Nc1cc(C(F)(F)F)[nH]n1 ZINC000342404770 424962673 /nfs/dbraw/zinc/96/26/73/424962673.db2.gz SITNHTQQXKWFHO-UHFFFAOYSA-N 0 0 312.251 2.641 10 30 DEEERN C=CCC1(C(=O)N2CCC(c3nc(N)n[nH]3)CC2)CCCC1 ZINC000614987579 425089425 /nfs/dbraw/zinc/08/94/25/425089425.db2.gz QXQFEUMYTOWZSI-UHFFFAOYSA-N 0 0 303.410 2.229 10 30 DEEERN C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1c1ccc(C#N)cc1F ZINC000284460331 267264759 /nfs/dbraw/zinc/26/47/59/267264759.db2.gz CPRCZZIOFQUXLM-QRTARXTBSA-N 0 0 304.365 2.454 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000188753217 267680455 /nfs/dbraw/zinc/68/04/55/267680455.db2.gz NAIRGMZHPKVCPQ-ZDUSSCGKSA-N 0 0 308.403 2.103 10 30 DEEERN N#Cc1cccc(CC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000530909303 268273350 /nfs/dbraw/zinc/27/33/50/268273350.db2.gz HBXOQXSVWQTRFY-UHFFFAOYSA-N 0 0 305.381 2.450 10 30 DEEERN N#Cc1ccc(CNC(=O)N2CC3(C2)CCCOC3)cc1F ZINC000333907139 269003721 /nfs/dbraw/zinc/00/37/21/269003721.db2.gz VONFSKHSQLFFQY-UHFFFAOYSA-N 0 0 303.337 2.019 10 30 DEEERN CC(=O)c1ccc2c(c1)CCN(c1nc(C)cc(C#N)n1)CC2 ZINC000367333819 273497178 /nfs/dbraw/zinc/49/71/78/273497178.db2.gz VLFWSZIMCFIDNE-UHFFFAOYSA-N 0 0 306.369 2.465 10 30 DEEERN C=C(C)[C@H](CC(=O)NCc1cn(C)nc1C(F)(F)F)OCC ZINC000270185100 277799794 /nfs/dbraw/zinc/79/97/94/277799794.db2.gz GQQDLPLTAHXTRX-NSHDSACASA-N 0 0 319.327 2.426 10 30 DEEERN C=CCN(CCC#N)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000428845645 277853166 /nfs/dbraw/zinc/85/31/66/277853166.db2.gz MAENHLHDUUHZJO-UHFFFAOYSA-N 0 0 301.434 2.473 10 30 DEEERN C=CCn1c(N2CCSC[C@@H]2C)nnc1[C@]1(C)CCCO1 ZINC000453447004 277894125 /nfs/dbraw/zinc/89/41/25/277894125.db2.gz WZDMPVGVGWEWOA-WFASDCNBSA-N 0 0 308.451 2.431 10 30 DEEERN CC1(C)CC(=O)C2=C(C1)OC(N)=C([N+](=O)[O-])[C@@H]2c1ccco1 ZINC000003037781 278184405 /nfs/dbraw/zinc/18/44/05/278184405.db2.gz HBZDYSCPOVFIKC-GFCCVEGCSA-N 0 0 304.302 2.441 10 30 DEEERN C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183682017 278321766 /nfs/dbraw/zinc/32/17/66/278321766.db2.gz WDXBXUUUISKCKF-XHDPSFHLSA-N 0 0 323.356 2.083 10 30 DEEERN Cc1nc([C@H](C)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)no1 ZINC000329860632 293377420 /nfs/dbraw/zinc/37/74/20/293377420.db2.gz XMWNXSYGGIVQGG-GSDQYQHOSA-N 0 0 323.356 2.434 10 30 DEEERN N#Cc1cccc(C#N)c1N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000408405613 294954968 /nfs/dbraw/zinc/95/49/68/294954968.db2.gz MWTUHOLKXDKEPZ-MRXNPFEDSA-N 0 0 308.385 2.269 10 30 DEEERN O=C(N[C@@H]1CCOC2(CCCC2)C1)N1CCc2cncnc2C1 ZINC000330217938 295381640 /nfs/dbraw/zinc/38/16/40/295381640.db2.gz IYIIKFQBGWZVFG-CQSZACIVSA-N 0 0 316.405 2.241 10 30 DEEERN O=C(N[C@@H]1COc2ccccc2C1)N1CC2(C1)CCCOC2 ZINC000329258611 295385841 /nfs/dbraw/zinc/38/58/41/295385841.db2.gz YLRGOVXCFQTLDX-AWEZNQCLSA-N 0 0 302.374 2.017 10 30 DEEERN N#C[C@@H]1CN(C(=O)C2(c3ccccc3)CC(F)(F)C2)CCO1 ZINC000368147325 303161156 /nfs/dbraw/zinc/16/11/56/303161156.db2.gz HOWJTOWBDQXQQX-CYBMUJFWSA-N 0 0 306.312 2.104 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](c2cccnc2)C1 ZINC000517930349 331979248 /nfs/dbraw/zinc/97/92/48/331979248.db2.gz SXEKBBUEVLXNAA-JYJNAYRXSA-N 0 0 301.390 2.172 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000518296550 332008505 /nfs/dbraw/zinc/00/85/05/332008505.db2.gz JZHCMXHOQXLIDV-XHDPSFHLSA-N 0 0 301.346 2.381 10 30 DEEERN C=CC1CCN(C(=O)CCC(=O)Nc2nnc(C3CC3)o2)CC1 ZINC000531098799 332260966 /nfs/dbraw/zinc/26/09/66/332260966.db2.gz BAOCUTTYIFUNEN-UHFFFAOYSA-N 0 0 318.377 2.090 10 30 DEEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cn(C)nn1 ZINC000562289607 332568597 /nfs/dbraw/zinc/56/85/97/332568597.db2.gz JQKIEEDBLGMLML-UHFFFAOYSA-N 0 0 317.397 2.203 10 30 DEEERN C=CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@]2(CCOC2)C1 ZINC000562789906 332626886 /nfs/dbraw/zinc/62/68/86/332626886.db2.gz CMXSERSBJOKJSS-RHSMWYFYSA-N 0 0 318.421 2.323 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000563137680 333395862 /nfs/dbraw/zinc/39/58/62/333395862.db2.gz HOXOILANKAWSGU-INIZCTEOSA-N 0 0 316.401 2.091 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)C[C@@H]1CCOC[C@H]1OC ZINC000296752413 335148175 /nfs/dbraw/zinc/14/81/75/335148175.db2.gz KUFNGJJIMZMGMC-GOEBONIOSA-N 0 0 307.390 2.278 10 30 DEEERN C=CCN(CCc1ccccc1)c1nn2c(nccc2=O)s1 ZINC000301124566 336291147 /nfs/dbraw/zinc/29/11/47/336291147.db2.gz XTWSXOMMGGNVCA-UHFFFAOYSA-N 0 0 312.398 2.386 10 30 DEEERN C=CCCCN(C)C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000173078842 337131988 /nfs/dbraw/zinc/13/19/88/337131988.db2.gz VFXADSAKLYGMOL-INIZCTEOSA-N 0 0 315.417 2.358 10 30 DEEERN O=S1(=O)CC[C@H](N(CC#Cc2ccc(Cl)cc2)C2CC2)C1 ZINC000177153867 337154089 /nfs/dbraw/zinc/15/40/89/337154089.db2.gz TWEQBSMKJPKENJ-INIZCTEOSA-N 0 0 323.845 2.343 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000583246044 337286855 /nfs/dbraw/zinc/28/68/55/337286855.db2.gz ZVZIEZGJUUXDCW-CVEARBPZSA-N 0 0 312.373 2.015 10 30 DEEERN CCOC(=O)C1=C(O)C(I)=CC[C@@H]1C ZINC000584604465 337371351 /nfs/dbraw/zinc/37/13/51/337371351.db2.gz FLVMILNKUYAVIL-XPUUQOCRSA-N 0 0 308.115 2.094 10 30 DEEERN N#CC(c1nccnc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000584628558 337376335 /nfs/dbraw/zinc/37/63/35/337376335.db2.gz NDWJNQCCSNAVAM-SNVBAGLBSA-N 0 0 311.725 2.308 10 30 DEEERN CC(=O)c1cccc(CNS(=O)(=O)CC2(C#N)CCCC2)c1 ZINC000514680199 337389493 /nfs/dbraw/zinc/38/94/93/337389493.db2.gz VCPYCILEKPRNMB-UHFFFAOYSA-N 0 0 320.414 2.393 10 30 DEEERN CC(C)(CC#N)CNC(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000459569532 339036467 /nfs/dbraw/zinc/03/64/67/339036467.db2.gz YOFZZLNPNBGYGO-UHFFFAOYSA-N 0 0 318.352 2.173 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1COc2c1ccc(C)c2C ZINC000516721040 340454746 /nfs/dbraw/zinc/45/47/46/340454746.db2.gz DCWRZVKEKASSMH-ILXRZTDVSA-N 0 0 302.374 2.380 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccsc2)C1=O ZINC000529256238 340750849 /nfs/dbraw/zinc/75/08/49/340750849.db2.gz NHUNAFINYMNWEL-BFHYXJOUSA-N 0 0 304.415 2.097 10 30 DEEERN CC[C@H](C#N)Sc1nc2ccccc2c(=O)n1CCCO ZINC000127040763 340841995 /nfs/dbraw/zinc/84/19/95/340841995.db2.gz QLAMPUMSUJGRDQ-LLVKDONJSA-N 0 0 303.387 2.173 10 30 DEEERN CC#CCCNC(=O)CCC(=O)c1ccc(OC)c(OC)c1 ZINC000542673280 341016689 /nfs/dbraw/zinc/01/66/89/341016689.db2.gz DZIXMADJLVEHGW-UHFFFAOYSA-N 0 0 303.358 2.196 10 30 DEEERN C=CCn1c(N(C)C[C@@H]2CCCCO2)nnc1[C@]1(C)CCCO1 ZINC000564292837 341135117 /nfs/dbraw/zinc/13/51/17/341135117.db2.gz SHBLHUJKYABADK-YOEHRIQHSA-N 0 0 320.437 2.495 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C(C)(C)Oc1ccc(OCC)cc1 ZINC000547405066 341211573 /nfs/dbraw/zinc/21/15/73/341211573.db2.gz CWUCPLJFSCHKSR-ZDUSSCGKSA-N 0 0 307.390 2.296 10 30 DEEERN COc1ccc(COCCCC(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000134306749 341212639 /nfs/dbraw/zinc/21/26/39/341212639.db2.gz GQXCGDUBEBCGGM-INIZCTEOSA-N 0 0 302.374 2.410 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000548838573 341277465 /nfs/dbraw/zinc/27/74/65/341277465.db2.gz BLSJPVRSFIGYGC-RHSMWYFYSA-N 0 0 318.421 2.116 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CCC(Oc2cnccn2)CC1 ZINC000549265468 341289942 /nfs/dbraw/zinc/28/99/42/341289942.db2.gz BIIKQHQFSCZUAP-UHFFFAOYSA-N 0 0 314.393 2.000 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000549731486 341301693 /nfs/dbraw/zinc/30/16/93/341301693.db2.gz KCGBBNJPHMOFRO-GDBMZVCRSA-N 0 0 312.373 2.246 10 30 DEEERN C=CCn1c(-c2ccccn2)nnc1N1CC[C@H](OC(F)F)C1 ZINC000564384502 341356032 /nfs/dbraw/zinc/35/60/32/341356032.db2.gz ONHLOQCDLNFTAR-NSHDSACASA-N 0 0 321.331 2.344 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2c(C)nn(C)c2s1 ZINC000564859061 341511670 /nfs/dbraw/zinc/51/16/70/341511670.db2.gz SIQCNEOBLDUJIO-JQWIXIFHSA-N 0 0 305.403 2.264 10 30 DEEERN C=C(C)COCCNC(=O)N[C@H](c1ccccc1F)[C@H](C)O ZINC000565603490 341532553 /nfs/dbraw/zinc/53/25/53/341532553.db2.gz JYCSUVZVMOSPQB-WFASDCNBSA-N 0 0 310.369 2.140 10 30 DEEERN C=CCC[C@H](NC(=O)[C@@H]1CCc2cccc(O)c21)C(=O)OCC ZINC000574771677 341768600 /nfs/dbraw/zinc/76/86/00/341768600.db2.gz FRFMXRMDLVFUOH-KGLIPLIRSA-N 0 0 317.385 2.436 10 30 DEEERN C=C(C)C(C)(C)C(=O)N[C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000577380026 341907061 /nfs/dbraw/zinc/90/70/61/341907061.db2.gz RCUAPIVGYNPTMN-CQSZACIVSA-N 0 0 305.422 2.342 10 30 DEEERN C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)CC#N ZINC000591650976 500571929 /nfs/dbraw/zinc/57/19/29/500571929.db2.gz JGUHLFJBNOEELA-ZIAGYGMSSA-N 0 0 303.410 2.487 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1CCS(=O)(=O)C(CC)(CC)C1 ZINC000362071052 500580469 /nfs/dbraw/zinc/58/04/69/500580469.db2.gz VMTHHBXCBQEPOT-ZDUSSCGKSA-N 0 0 316.467 2.340 10 30 DEEERN C[C@H]1COCC[C@H]1C(=O)Nc1ccnn1-c1ccc(C#N)cc1 ZINC000194357561 534043007 /nfs/dbraw/zinc/04/30/07/534043007.db2.gz WMGASDFSPZFIQI-SWLSCSKDSA-N 0 0 310.357 2.355 10 30 DEEERN CC1(C)CN(Cc2ccc(C#N)c(F)c2)C[C@]2(CCOC2)O1 ZINC000368445273 520475415 /nfs/dbraw/zinc/47/54/15/520475415.db2.gz GDWGUNKPCFDMFN-KRWDZBQOSA-N 0 0 304.365 2.467 10 30 DEEERN C=CCCCNC(=O)N1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000458717841 534726710 /nfs/dbraw/zinc/72/67/10/534726710.db2.gz GPZFOIBSNISTSV-GFCCVEGCSA-N 0 0 307.360 2.478 10 30 DEEERN Cn1cc2c(n1)CCC[C@@H]2C(=O)NCC1CCC(C#N)CC1 ZINC000373011745 534760626 /nfs/dbraw/zinc/76/06/26/534760626.db2.gz SPCCCLOJPVRXHI-RUXDESIVSA-N 0 0 300.406 2.286 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000456752175 534790438 /nfs/dbraw/zinc/79/04/38/534790438.db2.gz BCAFFHFWPUNVEM-ZDUSSCGKSA-N 0 0 303.337 2.273 10 30 DEEERN CS[C@@H](C)CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000153675575 525802429 /nfs/dbraw/zinc/80/24/29/525802429.db2.gz XHDUGESJBKUKAB-NSHDSACASA-N 0 0 305.403 2.082 10 30 DEEERN C=CCN(CCOC)C(=O)[C@H](C)Cn1ncc2ccccc21 ZINC000341606898 526295346 /nfs/dbraw/zinc/29/53/46/526295346.db2.gz CHFKYHQQPXEFSL-CQSZACIVSA-N 0 0 301.390 2.333 10 30 DEEERN CC#CCCNC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000361522842 526326599 /nfs/dbraw/zinc/32/65/99/526326599.db2.gz BVNLSFRPEOPLGW-LBPRGKRZSA-N 0 0 306.797 2.026 10 30 DEEERN CC#CCCn1cnc2c(c1=O)CCN(Cc1ccccc1)C2 ZINC000368138608 526341967 /nfs/dbraw/zinc/34/19/67/526341967.db2.gz JEKDGPFNXAFGIY-UHFFFAOYSA-N 0 0 307.397 2.215 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)CNC(=O)c1cccnc1 ZINC000162770872 526369748 /nfs/dbraw/zinc/36/97/48/526369748.db2.gz FMAUIOFDTXHBJG-UHFFFAOYSA-N 0 0 315.398 2.088 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)C/C=C/c2cccc(F)c2)C1=O ZINC000341644835 526490722 /nfs/dbraw/zinc/49/07/22/526490722.db2.gz RIMLXRJORXGTOQ-YERXGYGTSA-N 0 0 316.376 2.474 10 30 DEEERN C=C(C)CN(C)C(=O)Nc1cccc2c1CCN2C(=O)COC ZINC000184782846 526494934 /nfs/dbraw/zinc/49/49/34/526494934.db2.gz VBJRWAIJWWGTTL-UHFFFAOYSA-N 0 0 317.389 2.262 10 30 DEEERN C=CCN1CC[C@H](N(C)[C@H](C)c2nc(C(C)(C)C)no2)C1=O ZINC000337232803 526504065 /nfs/dbraw/zinc/50/40/65/526504065.db2.gz VVFDBJTVFOIOMD-NEPJUHHUSA-N 0 0 306.410 2.147 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000195517973 526521562 /nfs/dbraw/zinc/52/15/62/526521562.db2.gz FTNIAGMVXRULSP-HNNXBMFYSA-N 0 0 320.437 2.057 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H]1c1cnn(C)c1 ZINC000247514696 526541238 /nfs/dbraw/zinc/54/12/38/526541238.db2.gz MVAVGQQGRSATRU-HOCLYGCPSA-N 0 0 304.438 2.370 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H]1C[C@@H](C(=O)OC)c2ccccc21 ZINC000376959817 526675154 /nfs/dbraw/zinc/67/51/54/526675154.db2.gz CPVANKACWJVDRL-SJORKVTESA-N 0 0 309.365 2.167 10 30 DEEERN C#CCC1(C(=O)N2CC[C@@H](NC(=O)C3CCC3)C2)CCCCC1 ZINC000375515353 526675631 /nfs/dbraw/zinc/67/56/31/526675631.db2.gz RHMAEJJWUAYENF-MRXNPFEDSA-N 0 0 316.445 2.477 10 30 DEEERN C#CCCCC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000192023425 526682425 /nfs/dbraw/zinc/68/24/25/526682425.db2.gz JPNHNILQJUVBPM-OAHLLOKOSA-N 0 0 300.402 2.441 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1cccc(OCC(=O)NC)c1 ZINC000356814534 526699435 /nfs/dbraw/zinc/69/94/35/526699435.db2.gz OHISEWHYGDOUSD-CYBMUJFWSA-N 0 0 304.390 2.030 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](CO)c1nc(-c2ccccc2)no1 ZINC000375990461 526700297 /nfs/dbraw/zinc/70/02/97/526700297.db2.gz BSZJYIQZCWNAAU-OCCSQVGLSA-N 0 0 315.373 2.489 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000184239526 526700600 /nfs/dbraw/zinc/70/06/00/526700600.db2.gz RHOUGBKJJSEMDK-OLZOCXBDSA-N 0 0 324.446 2.374 10 30 DEEERN C#CCCCCNC(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000154956829 526704153 /nfs/dbraw/zinc/70/41/53/526704153.db2.gz ZFHZOGGENQSPBC-HNNXBMFYSA-N 0 0 311.389 2.305 10 30 DEEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(CO)CC1 ZINC000358838257 526718266 /nfs/dbraw/zinc/71/82/66/526718266.db2.gz YFGBKKLPHCHHKX-UHFFFAOYSA-N 0 0 302.378 2.323 10 30 DEEERN C#CCCNC(=O)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000369286485 526733224 /nfs/dbraw/zinc/73/32/24/526733224.db2.gz VSYBJOSQMWNLMX-MRXNPFEDSA-N 0 0 311.385 2.167 10 30 DEEERN C#CCCNC(=O)c1c2ccccc2nc2c1CN(CC)CC2 ZINC000369297410 526737155 /nfs/dbraw/zinc/73/71/55/526737155.db2.gz IOANSFFBAVGUNE-UHFFFAOYSA-N 0 0 307.397 2.366 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCOC[C@H]1C ZINC000296108508 526739283 /nfs/dbraw/zinc/73/92/83/526739283.db2.gz VRXPGPWNXDYXRF-ZIAGYGMSSA-N 0 0 306.410 2.321 10 30 DEEERN C=CCOCCN1C(=O)[C@@H]2CC[C@@H](c3ccccc3)N2C1=O ZINC000365414394 526771493 /nfs/dbraw/zinc/77/14/93/526771493.db2.gz AHESOYAZMVODNX-GJZGRUSLSA-N 0 0 300.358 2.357 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@]2(C1)CCCOC2 ZINC000341535378 526773615 /nfs/dbraw/zinc/77/36/15/526773615.db2.gz SMMHPUJVURUPTQ-VYDXJSESSA-N 0 0 308.422 2.180 10 30 DEEERN C=CCOCCNC(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000378588132 526774521 /nfs/dbraw/zinc/77/45/21/526774521.db2.gz AWKRNCDBFUTDIQ-UHFFFAOYSA-N 0 0 316.401 2.494 10 30 DEEERN C=CCOCCNC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000369866859 526775505 /nfs/dbraw/zinc/77/55/05/526775505.db2.gz DGXOAPCOMIKTPK-QXSJWSMHSA-N 0 0 310.438 2.160 10 30 DEEERN C=CCOCCNC(=O)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000371634228 526779864 /nfs/dbraw/zinc/77/98/64/526779864.db2.gz OAHHKZUYUBERDB-AWEZNQCLSA-N 0 0 321.396 2.296 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CC[C@@H](C(N)=O)c2ccccc21)OCC ZINC000340426072 526809088 /nfs/dbraw/zinc/80/90/88/526809088.db2.gz GHFSXIVNGNFFHJ-ZBFHGGJFSA-N 0 0 316.401 2.364 10 30 DEEERN C=C(C)[C@H](NC(=O)N1CC(NC(C)=O)C1)c1ccc(F)c(F)c1 ZINC000190331714 526818338 /nfs/dbraw/zinc/81/83/38/526818338.db2.gz MDUJVJIZUIMTDG-HNNXBMFYSA-N 0 0 323.343 2.112 10 30 DEEERN C=CCO[C@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000302128253 526820689 /nfs/dbraw/zinc/82/06/89/526820689.db2.gz GCAKVDZSNRDULK-LBPRGKRZSA-N 0 0 317.357 2.464 10 30 DEEERN C=CCOc1ccc(/C=C\c2cc(=O)n3[nH]cnc3n2)cc1OC ZINC000339956445 526834884 /nfs/dbraw/zinc/83/48/84/526834884.db2.gz MHSORIAATLFPQU-XQRVVYSFSA-N 0 0 324.340 2.161 10 30 DEEERN C=CCOc1ccccc1C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000286006176 526928014 /nfs/dbraw/zinc/92/80/14/526928014.db2.gz SJVOUKALZWKMHS-CZUORRHYSA-N 0 0 321.417 2.139 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2CCN(C(=O)c3ccncc3)C2)CCC1 ZINC000372792405 527058313 /nfs/dbraw/zinc/05/83/13/527058313.db2.gz FPARWTXVEDWPGB-OAHLLOKOSA-N 0 0 313.401 2.159 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)CCC1 ZINC000191873269 527058382 /nfs/dbraw/zinc/05/83/82/527058382.db2.gz OXBRHCMSYRZFGF-CQSZACIVSA-N 0 0 300.406 2.308 10 30 DEEERN C=CCC1(C(=O)N[C@H]2Cc3cccc(O)c3C2)CCOCC1 ZINC000424809573 527059668 /nfs/dbraw/zinc/05/96/68/527059668.db2.gz WGSRYTMVHXAABK-AWEZNQCLSA-N 0 0 301.386 2.349 10 30 DEEERN C=CC[C@@H](CO)CNS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000341189752 527080068 /nfs/dbraw/zinc/08/00/68/527080068.db2.gz MNVOVOSCWQIEQY-SNVBAGLBSA-N 0 0 321.801 2.250 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccc(OC(F)F)c(F)c1 ZINC000296812034 527091916 /nfs/dbraw/zinc/09/19/16/527091916.db2.gz ITGKIBJXUPNEHS-JTQLQIEISA-N 0 0 318.295 2.163 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000183736722 527093951 /nfs/dbraw/zinc/09/39/51/527093951.db2.gz GFHZDHGBJIOYCT-KGLIPLIRSA-N 0 0 314.389 2.170 10 30 DEEERN C=CCCCCCN(C)C(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000376686511 527126533 /nfs/dbraw/zinc/12/65/33/527126533.db2.gz IONQJROQXNQBRY-ZDUSSCGKSA-N 0 0 322.371 2.454 10 30 DEEERN C=CC[C@H](CC)NC(=O)N(C)C1CCN(c2cnccn2)CC1 ZINC000374280633 527145687 /nfs/dbraw/zinc/14/56/87/527145687.db2.gz QXIMBSXQHMDTSS-AWEZNQCLSA-N 0 0 317.437 2.442 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)C[C@H](C)COCC ZINC000295863368 527161653 /nfs/dbraw/zinc/16/16/53/527161653.db2.gz FFNPODWJIZFXTA-WBVHZDCISA-N 0 0 323.458 2.213 10 30 DEEERN C=CC[C@H](CO)CNC(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000341848050 527170931 /nfs/dbraw/zinc/17/09/31/527170931.db2.gz UQBWAPIAWSABAL-LBPRGKRZSA-N 0 0 319.380 2.333 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@H](C)Sc1ccc(NC(C)=O)cc1 ZINC000337045570 527205342 /nfs/dbraw/zinc/20/53/42/527205342.db2.gz FIPGSVGQVZYAJT-SMDDNHRTSA-N 0 0 322.430 2.179 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(OC)c(C(C)C)c(OC)c1 ZINC000337049747 527206701 /nfs/dbraw/zinc/20/67/01/527206701.db2.gz INNIQXHYFUYOBK-CYBMUJFWSA-N 0 0 307.390 2.494 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccccc1N1CCCC1 ZINC000448373174 527210533 /nfs/dbraw/zinc/21/05/33/527210533.db2.gz FUWXIZIMMTZALU-UHFFFAOYSA-N 0 0 301.390 2.308 10 30 DEEERN C=CCCCNC(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000448390501 527217620 /nfs/dbraw/zinc/21/76/20/527217620.db2.gz RDWOKTUMTRZZRY-UHFFFAOYSA-N 0 0 307.438 2.387 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000413303431 527218680 /nfs/dbraw/zinc/21/86/80/527218680.db2.gz QICQMUDXRAXQNQ-HZPDHXFCSA-N 0 0 315.417 2.094 10 30 DEEERN C=CCCCNC(=O)N[C@H]1CCCN(c2cc(CC)ncn2)C1 ZINC000448027681 527223293 /nfs/dbraw/zinc/22/32/93/527223293.db2.gz APQNLILNYSAPKQ-HNNXBMFYSA-N 0 0 317.437 2.273 10 30 DEEERN C=CCCCNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000447812227 527236756 /nfs/dbraw/zinc/23/67/56/527236756.db2.gz KNYMNCDXCUQJQS-UHFFFAOYSA-N 0 0 319.361 2.445 10 30 DEEERN C=CCc1cc(CNC(=O)C[C@H](O)CC)cc(OC)c1OC ZINC000448832322 527240899 /nfs/dbraw/zinc/24/08/99/527240899.db2.gz CJLHFGMVZPOGFX-CQSZACIVSA-N 0 0 307.390 2.210 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1nc(N(C)C)no1 ZINC000421837863 527246913 /nfs/dbraw/zinc/24/69/13/527246913.db2.gz UEELZVHTRXSRLT-UHFFFAOYSA-N 0 0 304.306 2.351 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)N(C)CCc1ncc(C)s1 ZINC000352316547 527250981 /nfs/dbraw/zinc/25/09/81/527250981.db2.gz VRUTUAYGBDEPLQ-GFCCVEGCSA-N 0 0 323.462 2.313 10 30 DEEERN C=CCCN(C)C(=O)C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000359441069 527302005 /nfs/dbraw/zinc/30/20/05/527302005.db2.gz PQMPPZPYJHDIMA-UHFFFAOYSA-N 0 0 323.396 2.399 10 30 DEEERN C=CCn1c(CC2CC2)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC000290139049 527314015 /nfs/dbraw/zinc/31/40/15/527314015.db2.gz HGRUJCGHHWOVEF-HNNXBMFYSA-N 0 0 312.421 2.492 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CCN(C2CC2)CC1 ZINC000337874514 527316002 /nfs/dbraw/zinc/31/60/02/527316002.db2.gz XQYXNLIXSVZYFM-UHFFFAOYSA-N 0 0 303.454 2.337 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N(C)C[C@@H]1CCCO1 ZINC000337854525 527320107 /nfs/dbraw/zinc/32/01/07/527320107.db2.gz KRTDWSYYHPPIBT-HNNXBMFYSA-N 0 0 316.405 2.458 10 30 DEEERN C=CCn1c(SCc2nnc(CC)n2C)nnc1C1CC1 ZINC000194664733 527345037 /nfs/dbraw/zinc/34/50/37/527345037.db2.gz ZXWCASQOTUCWKF-UHFFFAOYSA-N 0 0 304.423 2.325 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N(C)CC(=O)Nc1cccc(F)c1 ZINC000344580859 527370280 /nfs/dbraw/zinc/37/02/80/527370280.db2.gz YKMSPPXEGGOJNA-LBPRGKRZSA-N 0 0 308.353 2.204 10 30 DEEERN C=C[C@@H](C)NC(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000330936229 527395377 /nfs/dbraw/zinc/39/53/77/527395377.db2.gz RBRRYCJJNSHLNV-CYBMUJFWSA-N 0 0 301.390 2.369 10 30 DEEERN C#Cc1cccc(N(CC)CC(=O)N2CCOC[C@H]2C2CC2)c1 ZINC000372316667 527442178 /nfs/dbraw/zinc/44/21/78/527442178.db2.gz OXXAFCBEFJTFNO-SFHVURJKSA-N 0 0 312.413 2.132 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1noc(COCC)n1 ZINC000360450810 527452097 /nfs/dbraw/zinc/45/20/97/527452097.db2.gz XMRFTBKVEBBKET-NWDGAFQWSA-N 0 0 308.382 2.417 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000425564191 527496263 /nfs/dbraw/zinc/49/62/63/527496263.db2.gz KZIUWYGRVPISTI-MVFSYPETSA-N 0 0 302.418 2.431 10 30 DEEERN C=CCCc1ccccc1NC(=O)N1CCN(CCO)[C@H](C)C1 ZINC000337607600 527506225 /nfs/dbraw/zinc/50/62/25/527506225.db2.gz QWSUQLNLBXFIJW-OAHLLOKOSA-N 0 0 317.433 2.336 10 30 DEEERN C=CCN(C(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2)C1CC1 ZINC000435027074 527531141 /nfs/dbraw/zinc/53/11/41/527531141.db2.gz DFYMGVSRQDGMQO-SNVBAGLBSA-N 0 0 319.430 2.383 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CCn1c(C)csc1=O ZINC000299295754 527584829 /nfs/dbraw/zinc/58/48/29/527584829.db2.gz LOMNUJQAPKPUPH-UHFFFAOYSA-N 0 0 308.325 2.185 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CN1CCCCCCC1=O ZINC000299262010 527585727 /nfs/dbraw/zinc/58/57/27/527585727.db2.gz DPLKDXWVPUSUDT-UHFFFAOYSA-N 0 0 306.328 2.356 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCCN(c2ccccn2)CC1 ZINC000189979939 527615585 /nfs/dbraw/zinc/61/55/85/527615585.db2.gz BNRZARIGQKQAAN-GOSISDBHSA-N 0 0 317.433 2.349 10 30 DEEERN CC(C)CN1N=C(C(=O)NCC2CCC(C#N)CC2)CCC1=O ZINC000370185625 528029085 /nfs/dbraw/zinc/02/90/85/528029085.db2.gz RERUZQBAGUOHNP-UHFFFAOYSA-N 0 0 318.421 2.067 10 30 DEEERN CC(C)Cc1nc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cs1 ZINC000370974610 528665504 /nfs/dbraw/zinc/66/55/04/528665504.db2.gz UWWUJNIJIKCQNS-ZDUSSCGKSA-N 0 0 318.446 2.154 10 30 DEEERN CC(C)n1nnnc1COc1cc(Br)ccc1C#N ZINC000413009769 528700947 /nfs/dbraw/zinc/70/09/47/528700947.db2.gz SCAIXBWWSMLVNF-UHFFFAOYSA-N 0 0 322.166 2.467 10 30 DEEERN CC[C@@H]1CCC[C@@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000377792377 529303830 /nfs/dbraw/zinc/30/38/30/529303830.db2.gz NXEFJNFLWWFDAT-IIAWOOMASA-N 0 0 304.438 2.337 10 30 DEEERN CCn1cc(C2CCN(C(=O)c3cc(C#N)cn3C)CC2)cn1 ZINC000176114203 536035444 /nfs/dbraw/zinc/03/54/44/536035444.db2.gz SWGGFFOCTYLFNN-UHFFFAOYSA-N 0 0 311.389 2.133 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc(C#N)cs1 ZINC000248808160 536550755 /nfs/dbraw/zinc/55/07/55/536550755.db2.gz HDKUKYSDNQGXCF-LOWVWBTDSA-N 0 0 304.371 2.033 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(C#N)cc1F ZINC000248825124 536551939 /nfs/dbraw/zinc/55/19/39/536551939.db2.gz KEZLBQMNLIVHRW-BJJXKVORSA-N 0 0 302.349 2.471 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(C#N)ccc1OC ZINC000248870074 536551990 /nfs/dbraw/zinc/55/19/90/536551990.db2.gz UREDLTNGQQMIEW-LXZKKBNFSA-N 0 0 314.385 2.340 10 30 DEEERN CC(C)OC[C@H](O)CON=Cc1ccccc1OC(F)F ZINC000255114851 623463967 /nfs/dbraw/zinc/46/39/67/623463967.db2.gz BMMHBQBVYXQLGM-LBPRGKRZSA-N 0 0 303.305 2.424 10 30 DEEERN C[C@H](C#N)NS(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000160684366 624030929 /nfs/dbraw/zinc/03/09/29/624030929.db2.gz WWYLIPPUZPPJKI-XCODYQFDSA-N 0 0 315.192 2.251 10 30 DEEERN C#CC[C@@H](OC(=O)CCS(=O)(=O)C1CCCC1)C(C)C ZINC000177717873 625066128 /nfs/dbraw/zinc/06/61/28/625066128.db2.gz SDTSBDCLYGMHDV-CQSZACIVSA-N 0 0 300.420 2.325 10 30 DEEERN O=C(N[C@H]1COc2ccccc21)C1(N2CCOCC2)CCC1 ZINC000329077042 625154450 /nfs/dbraw/zinc/15/44/50/625154450.db2.gz BBTBCWQSNMUPJI-AWEZNQCLSA-N 0 0 302.374 2.332 10 30 DEEERN N#Cc1cc(Br)cnc1Sc1nnnn1C1CC1 ZINC000310914853 625198950 /nfs/dbraw/zinc/19/89/50/625198950.db2.gz QBGNFAMXFFLGQT-UHFFFAOYSA-N 0 0 323.179 2.188 10 30 DEEERN CC(C)(CCC#N)COC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000195074689 625771872 /nfs/dbraw/zinc/77/18/72/625771872.db2.gz DAMWBXOPFHGPNP-SNVBAGLBSA-N 0 0 320.311 2.270 10 30 DEEERN C#CCCNC(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC000733634813 633248094 /nfs/dbraw/zinc/24/80/94/633248094.db2.gz UQBBZIKOAPKKJH-UHFFFAOYSA-N 0 0 308.403 2.155 10 30 DEEERN N#Cc1cccc(OCC(=O)Nc2cccc(-c3nc[nH]n3)c2)c1 ZINC000733980158 633310352 /nfs/dbraw/zinc/31/03/52/633310352.db2.gz NIDDLNIKVBPWKD-UHFFFAOYSA-N 0 0 319.324 2.361 10 30 DEEERN C#CCOc1ccccc1CNC(=O)Cn1ncc2ccccc21 ZINC000734103232 633330679 /nfs/dbraw/zinc/33/06/79/633330679.db2.gz VONZQZMDEIDJHH-UHFFFAOYSA-N 0 0 319.364 2.365 10 30 DEEERN N#CCOc1ccc(Cl)cc1CN1C(=O)[C@@H]2CCCN2C1=O ZINC000735302823 633495779 /nfs/dbraw/zinc/49/57/79/633495779.db2.gz HUAZZDKHANINBK-LBPRGKRZSA-N 0 0 319.748 2.169 10 30 DEEERN Cc1cnn(CC(=O)OCc2cc(Cl)ccc2OCC#N)c1 ZINC000735343721 633503979 /nfs/dbraw/zinc/50/39/79/633503979.db2.gz BKJLMBJEZMNSBK-UHFFFAOYSA-N 0 0 319.748 2.491 10 30 DEEERN C#CCOc1ccccc1[C@H](C)OC(=O)COC1CCOCC1 ZINC000735396907 633506990 /nfs/dbraw/zinc/50/69/90/633506990.db2.gz FJJJFHIOOJBIAP-AWEZNQCLSA-N 0 0 318.369 2.498 10 30 DEEERN C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1cc(C#N)cn1C ZINC000178838167 636370642 /nfs/dbraw/zinc/37/06/42/636370642.db2.gz OKMVYZHTDOLSSH-ZWNOBZJWSA-N 0 0 303.387 2.200 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)OC/C=C/Cl)cc2C1=O ZINC000016662694 636609876 /nfs/dbraw/zinc/60/98/76/636609876.db2.gz CPCDYNOTCHJMGG-ZZXKWVIFSA-N 0 0 305.717 2.378 10 30 DEEERN C#CCCOC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000727041602 637595700 /nfs/dbraw/zinc/59/57/00/637595700.db2.gz FDWLOLXWFIXPFK-UHFFFAOYSA-N 0 0 306.261 2.160 10 30 DEEERN C#CCCCCCOC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000185327434 637599955 /nfs/dbraw/zinc/59/99/55/637599955.db2.gz SGBPXSUNCJZODH-UHFFFAOYSA-N 0 0 313.353 2.410 10 30 DEEERN C#CCNC(=O)COC(=O)[C@@H](Sc1ccccc1)C(C)C ZINC000727213804 637779418 /nfs/dbraw/zinc/77/94/18/637779418.db2.gz OWDUGQFDEKDPAQ-HNNXBMFYSA-N 0 0 305.399 2.096 10 30 DEEERN C#CCOc1ccc(C(=O)N[C@@H](C(=O)OC)C(C)(C)C)cc1 ZINC000741693213 638002873 /nfs/dbraw/zinc/00/28/73/638002873.db2.gz LYAOHVPSKDQDRH-AWEZNQCLSA-N 0 0 303.358 2.016 10 30 DEEERN CC[S@](=O)CCNc1c(C#N)cnc2c(C)cc(C)cc21 ZINC000742406237 638069181 /nfs/dbraw/zinc/06/91/81/638069181.db2.gz HYFWXNNPXKLFJV-NRFANRHFSA-N 0 0 301.415 2.326 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)OCC[C@H](C)OC)cc2C1=O ZINC000744310026 638208999 /nfs/dbraw/zinc/20/89/99/638208999.db2.gz XKLHWSASAHOZFP-NSHDSACASA-N 0 0 317.341 2.050 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1c[nH]nc1C(C)C ZINC000744731081 638241440 /nfs/dbraw/zinc/24/14/40/638241440.db2.gz GIQDWKIRKFSMKV-LBPRGKRZSA-N 0 0 305.378 2.279 10 30 DEEERN CC(=NOCC(=O)N[C@H](C)c1ccc(F)cc1)c1cnn(C)c1 ZINC000746330809 638337110 /nfs/dbraw/zinc/33/71/10/638337110.db2.gz MTZMMKNDKYQVAA-LLVKDONJSA-N 0 0 318.352 2.177 10 30 DEEERN C[C@H](CNC(=O)C1(C#N)CCOCC1)c1nc2ccccc2o1 ZINC000746573589 638358368 /nfs/dbraw/zinc/35/83/68/638358368.db2.gz SXQYVAAQWZZTEC-GFCCVEGCSA-N 0 0 313.357 2.368 10 30 DEEERN COc1ccc(CNC(=O)NC[C@@H](O)CC(C)(C)C)cc1C#N ZINC000746773529 638376328 /nfs/dbraw/zinc/37/63/28/638376328.db2.gz WBPMFJZNOMQZAG-AWEZNQCLSA-N 0 0 319.405 2.163 10 30 DEEERN COc1ccc(CNC(=O)NCC(C)(C)C[C@H](C)O)cc1C#N ZINC000746775162 638377758 /nfs/dbraw/zinc/37/77/58/638377758.db2.gz HJGUJLKJLHIYNM-LBPRGKRZSA-N 0 0 319.405 2.163 10 30 DEEERN COc1ccc(O)c(C(=O)NCc2ccc(OC)c(C#N)c2)c1 ZINC000747068412 638405070 /nfs/dbraw/zinc/40/50/70/638405070.db2.gz HKMJXKIGCKWHRA-UHFFFAOYSA-N 0 0 312.325 2.211 10 30 DEEERN C=CCOCC(=O)OCc1ccccc1OC[C@@H]1CCCO1 ZINC000747146239 638412301 /nfs/dbraw/zinc/41/23/01/638412301.db2.gz AESZKJKLBGHDBY-HNNXBMFYSA-N 0 0 306.358 2.490 10 30 DEEERN C#CC[C@H](OC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(C)C ZINC000747193747 638417863 /nfs/dbraw/zinc/41/78/63/638417863.db2.gz GVGSIIUHUQGVGJ-ZNMIVQPWSA-N 0 0 319.401 2.143 10 30 DEEERN CCOC[C@H]1CCN(C(=O)NCc2ccc(OC)c(C#N)c2)C1 ZINC000747431036 638436417 /nfs/dbraw/zinc/43/64/17/638436417.db2.gz PRUDNAYQTCDOMV-AWEZNQCLSA-N 0 0 317.389 2.135 10 30 DEEERN N#Cc1cccc(CC(=O)NC[C@@H]2COc3ccccc3C2)c1 ZINC000749317508 638634632 /nfs/dbraw/zinc/63/46/32/638634632.db2.gz HXMLSTMJDOZHTO-MRXNPFEDSA-N 0 0 306.365 2.468 10 30 DEEERN CC(=O)N1CSC[C@@H]1C(=O)OCC#Cc1ccc(Cl)cc1 ZINC000750884744 639038494 /nfs/dbraw/zinc/03/84/94/639038494.db2.gz FSOQIVSBTSLVBP-CQSZACIVSA-N 0 0 323.801 2.156 10 30 DEEERN C#CCN(CC#C)CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000752077035 639153428 /nfs/dbraw/zinc/15/34/28/639153428.db2.gz XGRIGTSNGDLQNX-INIZCTEOSA-N 0 0 308.425 2.311 10 30 DEEERN C#CCN(CC#C)C(=O)c1sc(N2CCCC2)nc1Cl ZINC000752149999 639159015 /nfs/dbraw/zinc/15/90/15/639159015.db2.gz DMDZBDTZMLGSPU-UHFFFAOYSA-N 0 0 307.806 2.105 10 30 DEEERN CCOC(=O)[C@@H](CC1CC1)NC(=O)c1ccccc1OCC#N ZINC000752384112 639178751 /nfs/dbraw/zinc/17/87/51/639178751.db2.gz LYBWHUKYVWFLBM-CQSZACIVSA-N 0 0 316.357 2.051 10 30 DEEERN C=CCn1c(SCCC(=O)N(C)OC)nnc1-c1ccco1 ZINC000752932857 639237212 /nfs/dbraw/zinc/23/72/12/639237212.db2.gz QALKZCRULHPPJY-UHFFFAOYSA-N 0 0 322.390 2.226 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCCc1cnn(C)c1 ZINC000805053130 639360287 /nfs/dbraw/zinc/36/02/87/639360287.db2.gz INFOSJBGZQHEBL-SFHVURJKSA-N 0 0 324.428 2.287 10 30 DEEERN C#CCCCS(=O)(=O)N[C@H](CCC(C)(C)C)C(=O)OCC ZINC000805061690 639424793 /nfs/dbraw/zinc/42/47/93/639424793.db2.gz LRUBAULZFNVXTQ-CYBMUJFWSA-N 0 0 317.451 2.077 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccccc1C(=O)OCC)C(C)(C)C ZINC000805146376 639839932 /nfs/dbraw/zinc/83/99/32/639839932.db2.gz CUWFGZNVSADSHN-CQSZACIVSA-N 0 0 323.414 2.190 10 30 DEEERN C=CCNC(=O)[C@H](C#N)C(=O)Cc1c[nH]c2c1cccc2CC ZINC000109413237 639976488 /nfs/dbraw/zinc/97/64/88/639976488.db2.gz ZMWOILPKHKMHCJ-OAHLLOKOSA-N 0 0 309.369 2.284 10 30 DEEERN C=CCCOCC(=O)OCCCc1cnc2c(C)c(C)nn2c1 ZINC000729199493 640092178 /nfs/dbraw/zinc/09/21/78/640092178.db2.gz JNLILQGEUUBSRQ-UHFFFAOYSA-N 0 0 317.389 2.415 10 30 DEEERN C=CCCCCCCNC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000805190514 640138629 /nfs/dbraw/zinc/13/86/29/640138629.db2.gz QKVMQLDWZOYITA-RBSFLKMASA-N 0 0 307.438 2.431 10 30 DEEERN COC(=O)c1cncc(NC(=O)/C=C/c2ccccc2C#N)c1 ZINC000179280291 640633090 /nfs/dbraw/zinc/63/30/90/640633090.db2.gz FZMKELKYGVXRKR-VOTSOKGWSA-N 0 0 307.309 2.392 10 30 DEEERN C=C(C)CN(CC)C(=O)COC(=O)c1nc(C)ncc1Cl ZINC000745378205 640814748 /nfs/dbraw/zinc/81/47/48/640814748.db2.gz VXYBPHNQVGKQAX-UHFFFAOYSA-N 0 0 311.769 2.020 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000730104415 641473084 /nfs/dbraw/zinc/47/30/84/641473084.db2.gz TVXJANFHPPKQQK-SFHVURJKSA-N 0 0 307.397 2.150 10 30 DEEERN COc1cc(C#N)ccc1OCCOC(=O)C1=COCCC1 ZINC000805448006 641541135 /nfs/dbraw/zinc/54/11/35/641541135.db2.gz GSYHVLWYZOPZEY-UHFFFAOYSA-N 0 0 303.314 2.183 10 30 DEEERN C#C[C@@H](NC(=O)Nc1ncc(C(F)(F)F)s1)[C@H]1CCCO1 ZINC000801756390 645438170 /nfs/dbraw/zinc/43/81/70/645438170.db2.gz FVORIPNBFVHEBW-HTQZYQBOSA-N 0 0 319.308 2.464 10 30 DEEERN C#CC[C@@H](NC(=O)Nc1ccncc1N(C)C)c1ccccc1 ZINC000801926187 645464380 /nfs/dbraw/zinc/46/43/80/645464380.db2.gz BEGYJGNGWUNPSA-OAHLLOKOSA-N 0 0 308.385 2.456 10 30 DEEERN C=CCOC(=O)N1CCC(OC(=O)c2coc(C3CC3)n2)CC1 ZINC000802246621 645508600 /nfs/dbraw/zinc/50/86/00/645508600.db2.gz BMNBJEJRHAIFTF-UHFFFAOYSA-N 0 0 320.345 2.496 10 30 DEEERN CCC[C@@]1(C2CC2)NC(=O)N(CN2CCC(C)(C#N)CC2)C1=O ZINC000802738269 645550182 /nfs/dbraw/zinc/55/01/82/645550182.db2.gz QUPFKYVLTDQZGF-KRWDZBQOSA-N 0 0 318.421 2.070 10 30 DEEERN C[C@@H](C(=O)OC1(Cc2ccc(F)cc2)CC1)n1cnc(C#N)n1 ZINC000802791724 645559737 /nfs/dbraw/zinc/55/97/37/645559737.db2.gz XWAIPIHROXKGCX-NSHDSACASA-N 0 0 314.320 2.168 10 30 DEEERN C#C[C@H](C)Oc1ccc(COC(=O)C2(C(=O)OCC)CC2)cc1 ZINC000802810963 645563047 /nfs/dbraw/zinc/56/30/47/645563047.db2.gz RUXQXXVLFUICOD-ZDUSSCGKSA-N 0 0 316.353 2.474 10 30 DEEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1ccncc1 ZINC000803424871 645651364 /nfs/dbraw/zinc/65/13/64/645651364.db2.gz BNZPJMPBHUWEMY-MRXNPFEDSA-N 0 0 304.346 2.386 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000803522052 645667458 /nfs/dbraw/zinc/66/74/58/645667458.db2.gz WELAIOVKWFHMDP-AWEZNQCLSA-N 0 0 311.341 2.298 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC000803525646 645668828 /nfs/dbraw/zinc/66/88/28/645668828.db2.gz FPOXSRWQHIIUIR-HNNXBMFYSA-N 0 0 310.401 2.398 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Cc1ccc(C(N)=O)cc1 ZINC000803524148 645669080 /nfs/dbraw/zinc/66/90/80/645669080.db2.gz WXAKVQUHYQSXEK-GOSISDBHSA-N 0 0 320.392 2.079 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C(=O)N1CCC[C@H](C)C1)C(C)C ZINC000803697446 645680893 /nfs/dbraw/zinc/68/08/93/645680893.db2.gz FIOMLEBYJXHLIT-DOTOQJQBSA-N 0 0 317.429 2.476 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)Nc1c(F)cccc1F ZINC000803697726 645681015 /nfs/dbraw/zinc/68/10/15/645681015.db2.gz PIMRUAYEBUVEPM-UHFFFAOYSA-N 0 0 305.280 2.109 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000803698953 645681783 /nfs/dbraw/zinc/68/17/83/645681783.db2.gz KIISOSFMWMBTDE-ZBFHGGJFSA-N 0 0 303.402 2.372 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)Nc1cccc(C(C)=O)c1 ZINC000803698539 645681796 /nfs/dbraw/zinc/68/17/96/645681796.db2.gz ATPJBUSOSMJMQY-UHFFFAOYSA-N 0 0 311.337 2.034 10 30 DEEERN C[C@H](CO)COC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000803866564 645708301 /nfs/dbraw/zinc/70/83/01/645708301.db2.gz ITGXHMHLGBHCIP-GFCCVEGCSA-N 0 0 320.364 2.085 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCn2cncc2C1 ZINC000804452681 645773309 /nfs/dbraw/zinc/77/33/09/645773309.db2.gz KZGJVHOYZYHDOB-DLBZAZTESA-N 0 0 307.397 2.196 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC000804454763 645774123 /nfs/dbraw/zinc/77/41/23/645774123.db2.gz AABLEHRVHRYPJI-RHSMWYFYSA-N 0 0 324.380 2.149 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@H]1CCCc2cn(C(C)C)nc21 ZINC000806299442 645815570 /nfs/dbraw/zinc/81/55/70/645815570.db2.gz CGTBMXIEEFTJDL-AWEZNQCLSA-N 0 0 318.421 2.040 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC(C(=O)NCCCCC)CC1 ZINC000806452564 645833140 /nfs/dbraw/zinc/83/31/40/645833140.db2.gz CPPIFYPOEPIOCF-UHFFFAOYSA-N 0 0 316.445 2.194 10 30 DEEERN C#C[C@H](N[C@@H](C(=O)OC)c1cccc(C(=O)OC)c1)C(C)(C)C ZINC000806622299 645853912 /nfs/dbraw/zinc/85/39/12/645853912.db2.gz HRLIQIVQQLHPOA-LSDHHAIUSA-N 0 0 317.385 2.325 10 30 DEEERN C#Cc1cncc(C(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000807070416 645909400 /nfs/dbraw/zinc/90/94/00/645909400.db2.gz UMUYTJOXDVKAMI-CYBMUJFWSA-N 0 0 317.352 2.135 10 30 DEEERN C#Cc1cncc(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000807111094 645912860 /nfs/dbraw/zinc/91/28/60/645912860.db2.gz BJNCJSAXWRKHAK-OAHLLOKOSA-N 0 0 316.426 2.238 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCCC[C@H]1O ZINC000807465684 645953376 /nfs/dbraw/zinc/95/33/76/645953376.db2.gz DUMGXSBQXWCQMW-IXDOHACOSA-N 0 0 300.402 2.224 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCC1(CO)CCCC1 ZINC000807468140 645954535 /nfs/dbraw/zinc/95/45/35/645954535.db2.gz PHEDAKMZVUKIDF-QGZVFWFLSA-N 0 0 314.429 2.473 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](O)[C@H](C)C1 ZINC000807471285 645955195 /nfs/dbraw/zinc/95/51/95/645955195.db2.gz WODYPWINLGFYSJ-DJIMGWMZSA-N 0 0 300.402 2.033 10 30 DEEERN COc1ccc(CNS(=O)(=O)c2cccc(F)c2)cc1C#N ZINC000746681058 646032528 /nfs/dbraw/zinc/03/25/28/646032528.db2.gz VGBHHDICNCAKGW-UHFFFAOYSA-N 0 0 320.345 2.184 10 30 DEEERN C=C(C)CS(=O)(=O)Nc1ccc2c(c1)OC(C)(C)C(=O)N2C ZINC000223442998 646494736 /nfs/dbraw/zinc/49/47/36/646494736.db2.gz YDILKZLUACTWFG-UHFFFAOYSA-N 0 0 324.402 2.138 10 30 DEEERN N#CCOc1ccccc1C(=O)NCCOc1ccc(C#N)cc1 ZINC000173899814 646782883 /nfs/dbraw/zinc/78/28/83/646782883.db2.gz IUBOECPGGYALMU-UHFFFAOYSA-N 0 0 321.336 2.269 10 30 DEEERN C[C@@H](OC(=O)C1=COCCC1)C(=O)Nc1cccc(C#N)c1 ZINC000730851770 647420786 /nfs/dbraw/zinc/42/07/86/647420786.db2.gz DWAVDWQUOVEKPZ-LLVKDONJSA-N 0 0 300.314 2.123 10 30 DEEERN CCCCC1CCC(C(=O)[C@@H](C#N)C(=O)NCCOC)CC1 ZINC000193421442 647499503 /nfs/dbraw/zinc/49/95/03/647499503.db2.gz LUOUKNSFGKSRHX-YMAMQOFZSA-N 0 0 308.422 2.454 10 30 DEEERN Cc1ccc(NC(=S)N2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000732626345 647633114 /nfs/dbraw/zinc/63/31/14/647633114.db2.gz XTQVRZNBUZXYLH-OAHLLOKOSA-N 0 0 300.431 2.364 10 30 DEEERN C[C@@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccc(C#N)cc1 ZINC000732675453 647640482 /nfs/dbraw/zinc/64/04/82/647640482.db2.gz YYMDUYYFZVOQNT-CXAGYDPISA-N 0 0 323.400 2.001 10 30 DEEERN CC[C@H](Cc1ccccc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732741688 647653663 /nfs/dbraw/zinc/65/36/63/647653663.db2.gz RCMXJANEIWEELF-SJLPKXTDSA-N 0 0 311.429 2.454 10 30 DEEERN Cn1cc(C#N)cc1C(=O)OCc1ccc(Br)cn1 ZINC000175568958 648355147 /nfs/dbraw/zinc/35/51/47/648355147.db2.gz XRXYECLPZHZHMA-UHFFFAOYSA-N 0 0 320.146 2.411 10 30 DEEERN CC(=O)OC1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180817831 648517281 /nfs/dbraw/zinc/51/72/81/648517281.db2.gz KUMYEDIWDBBDGD-UHFFFAOYSA-N 0 0 312.369 2.409 10 30 DEEERN Cc1cc(C(=O)OCC2(C#N)CCOCC2)ccc1[N+](=O)[O-] ZINC000183948384 649204794 /nfs/dbraw/zinc/20/47/94/649204794.db2.gz MRNUVVNYLSJGOO-UHFFFAOYSA-N 0 0 304.302 2.380 10 30 DEEERN C#CCCNC(=O)c1nc(CC)n(-c2ccccc2Cl)n1 ZINC000733246780 649463362 /nfs/dbraw/zinc/46/33/62/649463362.db2.gz DWHKSWQVWNIBDO-UHFFFAOYSA-N 0 0 302.765 2.236 10 30 DEEERN C#CCCNC(=O)NCCc1cc(Br)ccc1F ZINC000733344484 649548786 /nfs/dbraw/zinc/54/87/86/649548786.db2.gz BPLPLBXGZVYXBQ-UHFFFAOYSA-N 0 0 313.170 2.453 10 30 DEEERN C#CCCNC(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000733340113 649550059 /nfs/dbraw/zinc/55/00/59/649550059.db2.gz GXOJNSURWHYSKK-UHFFFAOYSA-N 0 0 309.369 2.483 10 30 DEEERN C#CCCNC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000733356813 649553637 /nfs/dbraw/zinc/55/36/37/649553637.db2.gz PAPUHSSMBUNGLI-UHFFFAOYSA-N 0 0 322.368 2.156 10 30 DEEERN C=CCn1nnn(CN(CCC)C[C@H]2CCCCO2)c1=S ZINC000106856465 651395521 /nfs/dbraw/zinc/39/55/21/651395521.db2.gz RWENXFROQMYMJA-CYBMUJFWSA-N 0 0 311.455 2.234 10 30 DEEERN C#CCOc1cccc(COC(=O)[C@@H](C)OC[C@H]2CCCO2)c1 ZINC000107021522 651408262 /nfs/dbraw/zinc/40/82/62/651408262.db2.gz HIIPVIHMQHNGLU-RHSMWYFYSA-N 0 0 318.369 2.326 10 30 DEEERN N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C(=O)N1CCCC1 ZINC000109184275 651868786 /nfs/dbraw/zinc/86/87/86/651868786.db2.gz DAJLDKARVSEORB-YNEHKIRRSA-N 0 0 318.323 2.400 10 30 DEEERN C#CCNC(=O)CSc1nnc(Nc2ccccc2)s1 ZINC000007733730 652067631 /nfs/dbraw/zinc/06/76/31/652067631.db2.gz HFORKCOZGXIHBC-UHFFFAOYSA-N 0 0 304.400 2.123 10 30 DEEERN C#CCCNc1ncnc2ccc(I)cc21 ZINC000381622340 685401292 /nfs/dbraw/zinc/40/12/92/685401292.db2.gz DIYLNRSHFRSKHN-UHFFFAOYSA-N 0 0 323.137 2.092 10 30 DEEERN COc1ccccc1[C@H](O)C/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000032075017 683877804 /nfs/dbraw/zinc/87/78/04/683877804.db2.gz ZSZYUPDPNXRPTF-GFHWABCWSA-N 0 0 316.313 2.462 10 30 DEEERN C[C@@H](NC(=O)c1ccco1)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000041496960 683890849 /nfs/dbraw/zinc/89/08/49/683890849.db2.gz BUMTUGIHSUNKOQ-MNOVXSKESA-N 0 0 322.324 2.151 10 30 DEEERN CNC(=O)c1cccc(OC(=O)[C@@H](C)Oc2ccccc2C#N)c1 ZINC000041859598 683892932 /nfs/dbraw/zinc/89/29/32/683892932.db2.gz HBEXNXWZWRJTLO-GFCCVEGCSA-N 0 0 324.336 2.291 10 30 DEEERN C=CCC[C@@H](C)OC(=O)CN1C(=O)c2ccc(C)cc2C1=O ZINC000089318987 684022221 /nfs/dbraw/zinc/02/22/21/684022221.db2.gz IMRIQRSRTGMTTA-GFCCVEGCSA-N 0 0 301.342 2.489 10 30 DEEERN C#CCCCCC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000119782818 684087091 /nfs/dbraw/zinc/08/70/91/684087091.db2.gz VEZAXLVRCHSHII-UHFFFAOYSA-N 0 0 316.405 2.074 10 30 DEEERN C#Cc1cccc(N(C)C(=O)c2[nH]c(C)c(C(N)=O)c2CC)c1 ZINC000120289095 684095020 /nfs/dbraw/zinc/09/50/20/684095020.db2.gz YHKFWONBVWZUNK-UHFFFAOYSA-N 0 0 309.369 2.242 10 30 DEEERN N#Cc1ccc2ncc(CNc3ccc(-n4nccn4)cc3)n2c1 ZINC000120672628 684099339 /nfs/dbraw/zinc/09/93/39/684099339.db2.gz AIWLIRJATUTDSW-UHFFFAOYSA-N 0 0 315.340 2.399 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1noc(C)n1 ZINC000123075328 684122109 /nfs/dbraw/zinc/12/21/09/684122109.db2.gz DXTPDWDYKFUNNT-UHFFFAOYSA-N 0 0 302.290 2.115 10 30 DEEERN C#CCOc1ccc(NC(=O)NCC2(CCO)CCC2)cc1 ZINC000124639543 684137400 /nfs/dbraw/zinc/13/74/00/684137400.db2.gz VIJJVCXFQLUAMP-UHFFFAOYSA-N 0 0 302.374 2.373 10 30 DEEERN Cn1nccc1CCC(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 ZINC000124982862 684140702 /nfs/dbraw/zinc/14/07/02/684140702.db2.gz SOFNGEKEMHUMHZ-CQSZACIVSA-N 0 0 315.348 2.417 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Oc1cccc(S(C)(=O)=O)c1 ZINC000129333799 684178834 /nfs/dbraw/zinc/17/88/34/684178834.db2.gz WLSYQZKPRBOZFO-UHFFFAOYSA-N 0 0 315.350 2.489 10 30 DEEERN N#CCC1(COC(=O)CCc2nc(-c3ccncc3)no2)CC1 ZINC000130042606 684184693 /nfs/dbraw/zinc/18/46/93/684184693.db2.gz HCYAWRBNTXKSAG-UHFFFAOYSA-N 0 0 312.329 2.301 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)[C@H]1CSCN1C(C)=O ZINC000132612900 684211026 /nfs/dbraw/zinc/21/10/26/684211026.db2.gz AIZKWWSGQFYSEN-OAHLLOKOSA-N 0 0 304.415 2.123 10 30 DEEERN C#CC[C@@H](OC(=O)CCc1nc(-c2ccncc2)no1)C1CC1 ZINC000132629622 684211863 /nfs/dbraw/zinc/21/18/63/684211863.db2.gz WKBDDQMOOKBGKE-CQSZACIVSA-N 0 0 311.341 2.409 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)[C@H]1CSCN1C(C)=O ZINC000132899485 684214558 /nfs/dbraw/zinc/21/45/58/684214558.db2.gz FAPJRGXTBIWAHH-MRXNPFEDSA-N 0 0 318.442 2.165 10 30 DEEERN CNC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000133376611 684219180 /nfs/dbraw/zinc/21/91/80/684219180.db2.gz IAVZREMJBNKRRO-VXNVDRBHSA-N 0 0 315.156 2.216 10 30 DEEERN C[C@H](NC(=O)Nc1ccc(F)cc1OCC#N)[C@@H]1CCCO1 ZINC000135335151 684234368 /nfs/dbraw/zinc/23/43/68/684234368.db2.gz NDIZYPYHFDYDNG-GWCFXTLKSA-N 0 0 307.325 2.417 10 30 DEEERN N#Cc1ccc2ncc(CNc3cccc(-n4ccnn4)c3)n2c1 ZINC000136837352 684242249 /nfs/dbraw/zinc/24/22/49/684242249.db2.gz KZPUODRLPIYIQM-UHFFFAOYSA-N 0 0 315.340 2.399 10 30 DEEERN COC(=O)C1(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)CC1 ZINC000155816453 684281275 /nfs/dbraw/zinc/28/12/75/684281275.db2.gz ZKXRFEYMSOUDIF-LBPRGKRZSA-N 0 0 305.305 2.004 10 30 DEEERN C#CCN(C(=O)NCCCN1CCCCCC1=O)C1CCCC1 ZINC000162531622 684330206 /nfs/dbraw/zinc/33/02/06/684330206.db2.gz YTRNOKQRTDMNLF-UHFFFAOYSA-N 0 0 319.449 2.367 10 30 DEEERN C[C@H](C#N)NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000192455597 684450418 /nfs/dbraw/zinc/45/04/18/684450418.db2.gz PHFKYHALMIGYAA-SJKOYZFVSA-N 0 0 317.389 2.455 10 30 DEEERN CCCCN1CCOC[C@H]1C(=O)OCC#Cc1ccccc1 ZINC000194200058 685060674 /nfs/dbraw/zinc/06/06/74/685060674.db2.gz SWFLSUCVVWYSLU-KRWDZBQOSA-N 0 0 301.386 2.082 10 30 DEEERN N#Cc1cnc(N2CCC[C@@H]2c2ccc(N)nn2)c(Cl)c1 ZINC000886085152 691999969 /nfs/dbraw/zinc/99/99/69/691999969.db2.gz AAAXGYXFPABQPR-GFCCVEGCSA-N 0 0 300.753 2.320 10 30 DEEERN C#CCC(C)(C)COC(=O)/C=C\c1cncc(C(=O)NC)c1 ZINC000588456573 777218029 /nfs/dbraw/zinc/21/80/29/777218029.db2.gz KGEQOWIOTLOPTF-SREVYHEPSA-N 0 0 300.358 2.047 10 30 DEEERN Cc1cccnc1C=CC(O)=C(C#N)C(=O)NCc1ccccc1 ZINC000588456824 777218675 /nfs/dbraw/zinc/21/86/75/777218675.db2.gz HSGDXOXEJWXMIA-YDZSZYSISA-N 0 0 319.364 2.429 10 30 DEEERN C#CC[C@@H](COC)NC(=O)c1c(F)cccc1Br ZINC000716844570 793009609 /nfs/dbraw/zinc/00/96/09/793009609.db2.gz GXPFITDJISACGZ-VIFPVBQESA-N 0 0 314.154 2.356 10 30 DEEERN CC[C@H](C[C@H](C)O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000716954230 797949258 /nfs/dbraw/zinc/94/92/58/797949258.db2.gz OUJHYKXPVCDTGN-GXSJLCMTSA-N 0 0 316.810 2.039 10 30 DEEERN C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CCO1 ZINC000720477423 1085136776 /nfs/dbraw/zinc/13/67/76/1085136776.db2.gz UCJHSVBWFUKWPD-SNVBAGLBSA-N 0 0 314.794 2.011 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1cnc(Cl)c(F)c1)C(C)(C)C ZINC000702267445 1086420294 /nfs/dbraw/zinc/42/02/94/1086420294.db2.gz SISDXHLBDSAHAI-JTQLQIEISA-N 0 0 304.774 2.200 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NCC[C@H]2CCSC2)s1 ZINC000704919508 1086597417 /nfs/dbraw/zinc/59/74/17/1086597417.db2.gz SXHXDXRLRKGGLV-VIFPVBQESA-N 0 0 302.446 2.041 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)NCC[C@H]2CC2(F)F)c1 ZINC000719990523 1089424408 /nfs/dbraw/zinc/42/44/08/1089424408.db2.gz RAMFQRJETNBBOY-VIFPVBQESA-N 0 0 304.293 2.021 10 30 DEEERN C=CCNC(=O)CNCc1cc(Cl)ccc1OC(F)F ZINC000393863964 1144791315 /nfs/dbraw/zinc/79/13/15/1144791315.db2.gz MEURKBWHBUJOEM-UHFFFAOYSA-N 0 0 304.724 2.333 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(S(C)(=O)=O)cc1C ZINC000278250039 214047852 /nfs/dbraw/zinc/04/78/52/214047852.db2.gz BWGXYMRVTRKYST-UKRRQHHQSA-N 0 0 323.414 2.318 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC000076650451 185029176 /nfs/dbraw/zinc/02/91/76/185029176.db2.gz ZUNJFHDTDLJPHF-UHFFFAOYSA-N 0 0 314.382 2.235 10 30 DEEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CCC[C@](C)(OC)CC1 ZINC000624845315 365568320 /nfs/dbraw/zinc/56/83/20/365568320.db2.gz ADCYDYGFZDDMJJ-INIZCTEOSA-N 0 0 316.409 2.250 10 30 DEEERN CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000076824833 185045121 /nfs/dbraw/zinc/04/51/21/185045121.db2.gz GSQDHYGAIYHPKO-CQSZACIVSA-N 0 0 303.337 2.283 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](c1cccnc1)C(C)C ZINC000612067995 361737657 /nfs/dbraw/zinc/73/76/57/361737657.db2.gz KOIMCUAFMXMZNO-DLBZAZTESA-N 0 0 317.433 2.408 10 30 DEEERN CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@](C)(C#N)C2)c1 ZINC000612233442 361770356 /nfs/dbraw/zinc/77/03/56/361770356.db2.gz ROQPFOLIDHLQLU-MRXNPFEDSA-N 0 0 320.414 2.246 10 30 DEEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC[C@](C)(C#N)C1 ZINC000612365278 361804166 /nfs/dbraw/zinc/80/41/66/361804166.db2.gz UTCYSTKUYKVPQT-IAGOWNOFSA-N 0 0 319.405 2.400 10 30 DEEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N(CCCC)CCOC ZINC000624992461 365608615 /nfs/dbraw/zinc/60/86/15/365608615.db2.gz UGZNYDXWWHEZEO-UHFFFAOYSA-N 0 0 318.425 2.497 10 30 DEEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC000624990574 365608835 /nfs/dbraw/zinc/60/88/35/365608835.db2.gz GCPZYULJUPMCBK-JSGCOSHPSA-N 0 0 316.409 2.106 10 30 DEEERN C=CCCS(=O)(=O)N1CCC[C@H]1c1nc2c(n1C)CCCC2 ZINC000278475997 214178977 /nfs/dbraw/zinc/17/89/77/214178977.db2.gz DVEYGWBFKKGFFW-HNNXBMFYSA-N 0 0 323.462 2.342 10 30 DEEERN C=C(C)CN(C)S(=O)(=O)C[C@@H](Cc1ccc(F)cc1)OC ZINC000625113614 365647550 /nfs/dbraw/zinc/64/75/50/365647550.db2.gz HPQPNURAQCTZDW-OAHLLOKOSA-N 0 0 315.410 2.221 10 30 DEEERN C=CCCCNS(=O)(=O)C[C@H](Cc1ccc(F)cc1)OC ZINC000625169425 365668706 /nfs/dbraw/zinc/66/87/06/365668706.db2.gz NJSWBWRFARKSFU-HNNXBMFYSA-N 0 0 315.410 2.269 10 30 DEEERN N#Cc1nc(NCCc2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000302780978 230829220 /nfs/dbraw/zinc/82/92/20/230829220.db2.gz RUDHLTVVUJVFQP-UHFFFAOYSA-N 0 0 313.273 2.424 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCc2ccc(F)cc2C1 ZINC000612688030 361893331 /nfs/dbraw/zinc/89/33/31/361893331.db2.gz LSICCGHBGQHZIM-MRXNPFEDSA-N 0 0 304.365 2.181 10 30 DEEERN C=CCCOCCNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000613014225 361980903 /nfs/dbraw/zinc/98/09/03/361980903.db2.gz JFWBXCWNEOPOMP-UHFFFAOYSA-N 0 0 316.401 2.263 10 30 DEEERN CC[C@]1(C2CC2)NC(=O)N(Cc2cc(C#N)ccc2F)C1=O ZINC000613069882 361995492 /nfs/dbraw/zinc/99/54/92/361995492.db2.gz GUQFEKYLJGRMDO-MRXNPFEDSA-N 0 0 301.321 2.308 10 30 DEEERN CSCC[C@H](C)N(C)S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000312545775 231122168 /nfs/dbraw/zinc/12/21/68/231122168.db2.gz LNMFTHIBPGFXFW-JTQLQIEISA-N 0 0 313.448 2.024 10 30 DEEERN Cc1ncc2n1CC[C@H](C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)C2 ZINC000332962543 282180316 /nfs/dbraw/zinc/18/03/16/282180316.db2.gz HJFGOFUTOWLGFW-IFIJOSMWSA-N 0 0 300.406 2.343 10 30 DEEERN CC(C)c1nnsc1C(=O)Nc1cccc(C#CC[NH3+])c1 ZINC000087443187 185225271 /nfs/dbraw/zinc/22/52/71/185225271.db2.gz CQPCEOJPOJBOLZ-UHFFFAOYSA-N 0 0 300.387 2.224 10 30 DEEERN CN1CCN([C@@H](C#N)c2cc(Br)ccc2F)CC1 ZINC000088045005 185237986 /nfs/dbraw/zinc/23/79/86/185237986.db2.gz MSWZDBIBQDNWQG-ZDUSSCGKSA-N 0 0 312.186 2.400 10 30 DEEERN CC[C@H](C#N)S(=O)(=O)NCc1ccccc1Br ZINC000088474210 185252325 /nfs/dbraw/zinc/25/23/25/185252325.db2.gz OYKSQYRRSPFVCE-SNVBAGLBSA-N 0 0 317.208 2.171 10 30 DEEERN COCc1cncc(C(=O)N(CCC#N)Cc2cccnc2)c1 ZINC000613185025 362031058 /nfs/dbraw/zinc/03/10/58/362031058.db2.gz NKRPNFHGNGELRD-UHFFFAOYSA-N 0 0 310.357 2.179 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](C)c1ncc(C)s1 ZINC000613496225 362129808 /nfs/dbraw/zinc/12/98/08/362129808.db2.gz WBADFTOJMBAUDJ-GXFFZTMASA-N 0 0 309.435 2.142 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC000625355057 365743686 /nfs/dbraw/zinc/74/36/86/365743686.db2.gz NZYIXYMAPKSNNF-JTQLQIEISA-N 0 0 323.340 2.032 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cn(CC3CC3)c(CC)n2)C1 ZINC000625354223 365743801 /nfs/dbraw/zinc/74/38/01/365743801.db2.gz IRWWTYZIDVASJY-ZDUSSCGKSA-N 0 0 323.462 2.442 10 30 DEEERN C=CCN(CCOC)C(=O)c1cncc(Br)c1C ZINC000613934545 362248246 /nfs/dbraw/zinc/24/82/46/362248246.db2.gz XBMBAKDPEZHQTB-UHFFFAOYSA-N 0 0 313.195 2.427 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](CC(F)(F)F)C1 ZINC000614026075 362265969 /nfs/dbraw/zinc/26/59/69/362265969.db2.gz DTTNTWJBXBPQEO-NEPJUHHUSA-N 0 0 306.328 2.258 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1c(C2CCC2)cnn1C ZINC000614373221 362364669 /nfs/dbraw/zinc/36/46/69/362364669.db2.gz QBEQUIBKLNIROU-BBRMVZONSA-N 0 0 303.406 2.399 10 30 DEEERN C=CC[C@H](CC)NC(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000614396175 362370134 /nfs/dbraw/zinc/37/01/34/362370134.db2.gz HTJVMDDWUPCCPG-QJPTWQEYSA-N 0 0 309.328 2.441 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1cccc2[nH]ccc21 ZINC000614488479 362395787 /nfs/dbraw/zinc/39/57/87/362395787.db2.gz MJYQNKVHOPCETA-KRWDZBQOSA-N 0 0 313.401 2.298 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(OC)c(C)c(OC)c1 ZINC000615235064 362563075 /nfs/dbraw/zinc/56/30/75/362563075.db2.gz AZPQEAGBQSTMIJ-AWEZNQCLSA-N 0 0 320.389 2.422 10 30 DEEERN CC(C)(C)OC(=O)[C@H]1CCN(c2nc3ccccn3c2C#N)C1 ZINC000181730834 199345637 /nfs/dbraw/zinc/34/56/37/199345637.db2.gz JFBYMTIIOXKQAP-LBPRGKRZSA-N 0 0 312.373 2.374 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@](C)(OC)c1ccccc1 ZINC000615833181 362711561 /nfs/dbraw/zinc/71/15/61/362711561.db2.gz XMKQAZVIDGFWIK-FUHWJXTLSA-N 0 0 318.417 2.135 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CCO[C@@H](C(C)C)C1 ZINC000615838554 362712782 /nfs/dbraw/zinc/71/27/82/362712782.db2.gz IDPJBJGNVFZTBB-HRCADAONSA-N 0 0 310.438 2.025 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(C)(CC(F)(F)F)C1 ZINC000616161138 362784244 /nfs/dbraw/zinc/78/42/44/362784244.db2.gz ANLAONUSUXNFAE-LLVKDONJSA-N 0 0 306.328 2.258 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC2(CCOCC2)[C@@H]1C(C)C ZINC000616290116 362817722 /nfs/dbraw/zinc/81/77/22/362817722.db2.gz HADGEQYFBUNKIY-HOTGVXAUSA-N 0 0 322.449 2.121 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC2(CCOCC2)[C@H]1C(C)C ZINC000616290117 362817845 /nfs/dbraw/zinc/81/78/45/362817845.db2.gz HADGEQYFBUNKIY-HZPDHXFCSA-N 0 0 322.449 2.121 10 30 DEEERN C[C@H]1CN(C(=O)c2cc(C#CCO)ccc2F)C[C@H](C)S1 ZINC000070388830 190884280 /nfs/dbraw/zinc/88/42/80/190884280.db2.gz MLQTYTVFNLQGSP-RYUDHWBXSA-N 0 0 307.390 2.136 10 30 DEEERN C[C@@H]1CN(C(=O)c2ccccc2C#CCCO)C[C@H](C)S1 ZINC000070388799 190884476 /nfs/dbraw/zinc/88/44/76/190884476.db2.gz JOQMZEZZNKJTNB-OKILXGFUSA-N 0 0 303.427 2.387 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(F)cc1N ZINC000070430251 190889722 /nfs/dbraw/zinc/88/97/22/190889722.db2.gz BRVNINKRGTXBBL-UHFFFAOYSA-N 0 0 305.334 2.389 10 30 DEEERN COCCN(CCC#N)C(=O)c1cc2cc(N)ccc2s1 ZINC000071221586 190944047 /nfs/dbraw/zinc/94/40/47/190944047.db2.gz YJSOKPLGSWKZEU-UHFFFAOYSA-N 0 0 303.387 2.486 10 30 DEEERN C[C@H](Cc1cccs1)NS(=O)(=O)c1ccc(N)cc1C#N ZINC000071269622 190950828 /nfs/dbraw/zinc/95/08/28/190950828.db2.gz FKKQQCIWOPFIIN-SNVBAGLBSA-N 0 0 321.427 2.111 10 30 DEEERN CCCCC(=O)N1CSC[C@H]1C(=O)NC1(C#N)CCCC1 ZINC000170827203 197831420 /nfs/dbraw/zinc/83/14/20/197831420.db2.gz VVLBVYWHLHUBLV-LBPRGKRZSA-N 0 0 309.435 2.031 10 30 DEEERN CCOCOc1c(N)cc(C#N)cc1I ZINC000083755872 192382139 /nfs/dbraw/zinc/38/21/39/192382139.db2.gz QFHAMGBQCAYBMK-UHFFFAOYSA-N 0 0 318.114 2.118 10 30 DEEERN C=CCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000071530877 190988626 /nfs/dbraw/zinc/98/86/26/190988626.db2.gz VEXXSVUATQPCLZ-CYBMUJFWSA-N 0 0 322.430 2.215 10 30 DEEERN C=CCn1nnnc1S[C@@H](Cc1ccc(C)cc1)C(=O)OC ZINC000279991388 215295947 /nfs/dbraw/zinc/29/59/47/215295947.db2.gz RAVZNDABKGGIPY-ZDUSSCGKSA-N 0 0 318.402 2.044 10 30 DEEERN C[C@@](N)(C#N)CCOc1c(Br)cccc1[N+](=O)[O-] ZINC000133636112 186001840 /nfs/dbraw/zinc/00/18/40/186001840.db2.gz AFKCJLFNIOLSAQ-NSHDSACASA-N 0 0 314.139 2.367 10 30 DEEERN C[C@@H]1[C@H](C)SCCN1C(=O)c1ccccc1C#CCCO ZINC000133656271 186003940 /nfs/dbraw/zinc/00/39/40/186003940.db2.gz UQNIIWVXVDISNU-KGLIPLIRSA-N 0 0 303.427 2.387 10 30 DEEERN CCN[C@@H](C#N)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000138346821 186016294 /nfs/dbraw/zinc/01/62/94/186016294.db2.gz SSUYVZBBAMQRIM-VIFPVBQESA-N 0 0 303.240 2.494 10 30 DEEERN N#C[C@@]1(N2CCCCCC2)CCS(=O)(=O)c2ccccc21 ZINC000147825465 186042031 /nfs/dbraw/zinc/04/20/31/186042031.db2.gz JBTDAQBFYUBJNZ-INIZCTEOSA-N 0 0 304.415 2.459 10 30 DEEERN CC[C@@H](C#N)S(=O)(=O)c1ccc(N)cc1Br ZINC000148333264 186044663 /nfs/dbraw/zinc/04/46/63/186044663.db2.gz MRXVTXJNXLFQHG-QMMMGPOBSA-N 0 0 303.181 2.107 10 30 DEEERN N#Cc1cccc(COc2ccc(Cl)cc2S(N)(=O)=O)c1 ZINC000147261875 186038952 /nfs/dbraw/zinc/03/89/52/186038952.db2.gz PSWSBSLGJOBJME-UHFFFAOYSA-N 0 0 322.773 2.438 10 30 DEEERN Cc1noc(C)c1C(=O)NCc1sccc1C#CCCO ZINC000148600613 186045204 /nfs/dbraw/zinc/04/52/04/186045204.db2.gz BBOLAACVOWJFJL-UHFFFAOYSA-N 0 0 304.371 2.017 10 30 DEEERN C#C[C@H](C)NC(=O)c1cc(C)ccc1I ZINC000186056597 186236140 /nfs/dbraw/zinc/23/61/40/186236140.db2.gz KGDFHYAJAJSQHK-VIFPVBQESA-N 0 0 313.138 2.351 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)COc1ccc(C(N)=O)cc1 ZINC000617037447 363006767 /nfs/dbraw/zinc/00/67/67/363006767.db2.gz NFJRNCSMIAYYAN-BBRMVZONSA-N 0 0 316.401 2.415 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)CC(C)C ZINC000617037965 363006918 /nfs/dbraw/zinc/00/69/18/363006918.db2.gz TUHADKJWPOPMCJ-UONOGXRCSA-N 0 0 301.452 2.308 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000617040625 363006970 /nfs/dbraw/zinc/00/69/70/363006970.db2.gz WOELVRRUXIRFAL-XHDPSFHLSA-N 0 0 312.369 2.435 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCc1nc(N(C)C)no1 ZINC000617041580 363007771 /nfs/dbraw/zinc/00/77/71/363007771.db2.gz GDQNLSMMWGPIAA-OLZOCXBDSA-N 0 0 306.410 2.319 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1ccncc1 ZINC000617042792 363007851 /nfs/dbraw/zinc/00/78/51/363007851.db2.gz VYVCRUOGIDFLQI-HIFRSBDPSA-N 0 0 301.390 2.063 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000617042710 363007961 /nfs/dbraw/zinc/00/79/61/363007961.db2.gz VFKHCXUFDMWRGA-SYQHCUMBSA-N 0 0 301.452 2.307 10 30 DEEERN C=CCOc1ccc(C(=O)NC[C@H](OC)[C@@H]2CCOC2)cc1 ZINC000617147303 363037602 /nfs/dbraw/zinc/03/76/02/363037602.db2.gz COCRIICELCFEGU-ZBFHGGJFSA-N 0 0 305.374 2.033 10 30 DEEERN N#CCCCCS(=O)(=O)N1CCc2c1cc(F)cc2F ZINC000171958310 198015356 /nfs/dbraw/zinc/01/53/56/198015356.db2.gz JGRQORZGZQCBJR-UHFFFAOYSA-N 0 0 300.330 2.351 10 30 DEEERN C=C[C@H](CC(=O)N1CC[C@@H](Cn2ccnn2)C1)c1ccccc1 ZINC000617258459 363068296 /nfs/dbraw/zinc/06/82/96/363068296.db2.gz JAVJRSYHJITMDJ-HZPDHXFCSA-N 0 0 310.401 2.487 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000072620849 191203399 /nfs/dbraw/zinc/20/33/99/191203399.db2.gz XJXDVHDRVMXLBK-UHFFFAOYSA-N 0 0 317.389 2.032 10 30 DEEERN C[S@@](=O)c1cccc(NC(=O)N2CC3(C2)CCCOC3)c1 ZINC000329507499 539921454 /nfs/dbraw/zinc/92/14/54/539921454.db2.gz HTMGDTWMJHVFGM-OAQYLSRUSA-N 0 0 308.403 2.082 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000332914173 539943613 /nfs/dbraw/zinc/94/36/13/539943613.db2.gz SVXARVVVWDNEJE-BFHYXJOUSA-N 0 0 323.462 2.423 10 30 DEEERN N#CC1(c2ccc(C(=O)N3C[C@@H]4CC[C@H](O)C[C@@H]4C3)cc2)CC1 ZINC000333274935 539954214 /nfs/dbraw/zinc/95/42/14/539954214.db2.gz LEVRNSBZBPZHJR-UXLLHSPISA-N 0 0 310.397 2.475 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)NCCn1cc(C)cn1 ZINC000173782882 198251435 /nfs/dbraw/zinc/25/14/35/198251435.db2.gz AMGCLABCNTUNHJ-UHFFFAOYSA-N 0 0 316.336 2.164 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(OC)cc2)C1 ZINC000617789662 363264408 /nfs/dbraw/zinc/26/44/08/363264408.db2.gz PQVXKYHQBUILBH-CQSZACIVSA-N 0 0 316.401 2.240 10 30 DEEERN C=CC(C)(C)CCNC(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000626285852 366136035 /nfs/dbraw/zinc/13/60/35/366136035.db2.gz GFUPRHPGFLQCJA-UHFFFAOYSA-N 0 0 311.407 2.209 10 30 DEEERN N#Cc1ccc(CCC(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC000031043197 354132009 /nfs/dbraw/zinc/13/20/09/354132009.db2.gz HNUPEKISIFJYOF-INIZCTEOSA-N 0 0 322.364 2.447 10 30 DEEERN S=C(N/N=C/c1cccnc1)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1C=CC[C@H]21 ZINC000004322409 181098118 /nfs/dbraw/zinc/09/81/18/181098118.db2.gz JJXPUKQXKASOFA-DZRDCVBCSA-N 0 0 312.442 2.480 10 30 DEEERN C=CCCO[C@H](C)C(=O)Nc1ccc2c(c1)CCN(C)C2=O ZINC000618086136 363370899 /nfs/dbraw/zinc/37/08/99/363370899.db2.gz IKJJYARIDSOTDO-GFCCVEGCSA-N 0 0 302.374 2.234 10 30 DEEERN C=CCOC[C@H]1NC(=O)N([C@H](C)c2ccc(OCC)cc2)C1=O ZINC000348487633 540022726 /nfs/dbraw/zinc/02/27/26/540022726.db2.gz CGMBEXPLNLJCKY-IUODEOHRSA-N 0 0 318.373 2.269 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000626357894 366161078 /nfs/dbraw/zinc/16/10/78/366161078.db2.gz IINFBPJJAKQCMA-NSHDSACASA-N 0 0 316.340 2.231 10 30 DEEERN C=CCN(Cc1ccno1)S(=O)(=O)c1ccc(OC)cc1 ZINC000067767820 354777740 /nfs/dbraw/zinc/77/77/40/354777740.db2.gz LGISIPWODLUXBB-UHFFFAOYSA-N 0 0 308.359 2.060 10 30 DEEERN C=CCC1(NC(=O)c2cc(=O)c3ccccc3[nH]2)CCOCC1 ZINC000618245843 363429864 /nfs/dbraw/zinc/42/98/64/363429864.db2.gz LRDVRCUMODTQSJ-UHFFFAOYSA-N 0 0 312.369 2.383 10 30 DEEERN C=CCC1(NC(=O)C[C@@H](O)Cc2ccccc2)CCOCC1 ZINC000618250459 363430875 /nfs/dbraw/zinc/43/08/75/363430875.db2.gz BRJLULFSFRRKMQ-INIZCTEOSA-N 0 0 303.402 2.222 10 30 DEEERN C=CCC1(NC(=O)c2cnn3c2C[C@H](C)CC3)CCOCC1 ZINC000618251872 363432181 /nfs/dbraw/zinc/43/21/81/363432181.db2.gz UHWXDIDQODJDLV-CYBMUJFWSA-N 0 0 303.406 2.321 10 30 DEEERN CC(=O)N(C)c1cccc(N[C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000073413841 354958546 /nfs/dbraw/zinc/95/85/46/354958546.db2.gz BZFPTHZNCKYLCZ-QGZVFWFLSA-N 0 0 322.368 2.179 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H](C)C3CC3)cc2C1=O ZINC000073786245 354982151 /nfs/dbraw/zinc/98/21/51/354982151.db2.gz FYLOHYUYVYTNBA-LLVKDONJSA-N 0 0 312.369 2.339 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N(C)CC(C)C)cc2C1=O ZINC000075441867 355087502 /nfs/dbraw/zinc/08/75/02/355087502.db2.gz NPCCSBNRNXLEMA-UHFFFAOYSA-N 0 0 300.358 2.197 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC000076487802 355151966 /nfs/dbraw/zinc/15/19/66/355151966.db2.gz XHTNBTQFCICSDX-GFCCVEGCSA-N 0 0 313.394 2.413 10 30 DEEERN Cn1cnc2cc(S(=O)(=O)Nc3ccc(C#N)cc3)ccc21 ZINC000074945204 191393660 /nfs/dbraw/zinc/39/36/60/191393660.db2.gz IDLUGYRDZXWEEH-UHFFFAOYSA-N 0 0 312.354 2.246 10 30 DEEERN N#Cc1cccc(C(=O)NCCN2CCOc3ccccc32)c1 ZINC000074840296 191370962 /nfs/dbraw/zinc/37/09/62/191370962.db2.gz APHOBSGLZYPGNI-UHFFFAOYSA-N 0 0 307.353 2.187 10 30 DEEERN C=CCN(Cc1cccs1)S(=O)(=O)c1cn(CC)cn1 ZINC000080713767 355381930 /nfs/dbraw/zinc/38/19/30/355381930.db2.gz PXRJBRVEWVFQCE-UHFFFAOYSA-N 0 0 311.432 2.341 10 30 DEEERN C=CCN(C(=O)c1cocn1)c1nc(C(=O)OCC)cs1 ZINC000105370497 355720958 /nfs/dbraw/zinc/72/09/58/355720958.db2.gz ZHHOIYHCBXTZTM-UHFFFAOYSA-N 0 0 307.331 2.141 10 30 DEEERN N#Cc1cc(N2CCC(N3CCNC3=O)CC2)nc2ccccc12 ZINC000122655911 355800944 /nfs/dbraw/zinc/80/09/44/355800944.db2.gz PBXGHTWATLNCBK-UHFFFAOYSA-N 0 0 321.384 2.100 10 30 DEEERN CC[C@H](C)Oc1cc(CNC(=O)c2cc(C#N)cn2C)ccn1 ZINC000181455120 356081572 /nfs/dbraw/zinc/08/15/72/356081572.db2.gz IRBDMSPACUNUNK-LBPRGKRZSA-N 0 0 312.373 2.399 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1cccc(NC(=O)CCC)c1 ZINC000183075046 356158726 /nfs/dbraw/zinc/15/87/26/356158726.db2.gz MMCQODDVDJFAKD-HNNXBMFYSA-N 0 0 319.405 2.161 10 30 DEEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(CCCCC)cc1 ZINC000183192382 356162676 /nfs/dbraw/zinc/16/26/76/356162676.db2.gz GCRVTYFGGQDPDA-MRXNPFEDSA-N 0 0 318.417 2.411 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(C(=O)OC)c(Cl)c1 ZINC000185659455 356209228 /nfs/dbraw/zinc/20/92/28/356209228.db2.gz UDVDBLMUVIFBHV-SNVBAGLBSA-N 0 0 312.753 2.185 10 30 DEEERN Cc1nc(NC(=O)C#CBr)ccc1Br ZINC000306187472 356402812 /nfs/dbraw/zinc/40/28/12/356402812.db2.gz AYHMMWUWFSVCKZ-UHFFFAOYSA-N 0 0 317.968 2.447 10 30 DEEERN COC(=O)c1c(F)ccc(I)c1C#N ZINC000306839540 356406301 /nfs/dbraw/zinc/40/63/01/356406301.db2.gz YSYZHYYHFMSRDM-UHFFFAOYSA-N 0 0 305.046 2.089 10 30 DEEERN COc1c(I)ccc(CC#N)c1OC ZINC000307646974 356409237 /nfs/dbraw/zinc/40/92/37/356409237.db2.gz CYZKJVYPSJHKEX-UHFFFAOYSA-N 0 0 303.099 2.374 10 30 DEEERN CN1CCN(C(=O)NCCC2=CCCC2)C[C@H]1c1ncc[nH]1 ZINC000328633993 356464425 /nfs/dbraw/zinc/46/44/25/356464425.db2.gz SZXSGEWZHANDON-AWEZNQCLSA-N 0 0 303.410 2.113 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N(C)C[C@@H]1CCc2nccn2C1 ZINC000328618509 356460480 /nfs/dbraw/zinc/46/04/80/356460480.db2.gz DTVDWPARHUARBI-HNNXBMFYSA-N 0 0 308.385 2.398 10 30 DEEERN Cc1nc2c(s1)CCC[C@@H]2CNC(=O)c1cnn(C)c1N ZINC000328614264 356460994 /nfs/dbraw/zinc/46/09/94/356460994.db2.gz AEJUGTSMFAIRES-SECBINFHSA-N 0 0 305.407 2.192 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N(C)C[C@H]1CCn2ccnc2C1 ZINC000328620654 356461415 /nfs/dbraw/zinc/46/14/15/356461415.db2.gz HFRIMYGHIOXXLL-HNNXBMFYSA-N 0 0 308.385 2.398 10 30 DEEERN C[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1)c1nccs1 ZINC000081300359 192248500 /nfs/dbraw/zinc/24/85/00/192248500.db2.gz SGMUNUAFGAVVEL-SNVBAGLBSA-N 0 0 307.400 2.249 10 30 DEEERN C=CCC1(NC(=O)Nc2cnc(OC)c(OC)c2)CCOCC1 ZINC000626712800 366283350 /nfs/dbraw/zinc/28/33/50/366283350.db2.gz VYCYWLXAGLOYPX-UHFFFAOYSA-N 0 0 321.377 2.346 10 30 DEEERN CNC(=O)Cc1nc(CN(CCC#N)CC(C)(C)C)cs1 ZINC000081671723 192308950 /nfs/dbraw/zinc/30/89/50/192308950.db2.gz DQOHUTHDEQPQQE-UHFFFAOYSA-N 0 0 308.451 2.193 10 30 DEEERN CCn1c(CCNC(=O)c2cc(C#N)cn2C)nc2ccccc21 ZINC000081726781 192318415 /nfs/dbraw/zinc/31/84/15/192318415.db2.gz IDZYPIIYPWZOAT-UHFFFAOYSA-N 0 0 321.384 2.239 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000618417094 363488978 /nfs/dbraw/zinc/48/89/78/363488978.db2.gz JDCOZBIEHIPTOT-DJIMGWMZSA-N 0 0 316.401 2.184 10 30 DEEERN C=CCOCCCNC(=O)COc1cccc2cccnc21 ZINC000618515451 363512807 /nfs/dbraw/zinc/51/28/07/363512807.db2.gz WCQVSHIPVWVDKW-UHFFFAOYSA-N 0 0 300.358 2.323 10 30 DEEERN C=CCOCCCNC(=O)C[C@@H](n1cccn1)C(F)(F)F ZINC000618516709 363513676 /nfs/dbraw/zinc/51/36/76/363513676.db2.gz UXEGHYVGEGKDCG-LLVKDONJSA-N 0 0 305.300 2.086 10 30 DEEERN C=CCOCCCNC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1 ZINC000618517594 363513779 /nfs/dbraw/zinc/51/37/79/363513779.db2.gz NNFGWOUBGKKDTR-QGZVFWFLSA-N 0 0 318.417 2.271 10 30 DEEERN C=CCOCCCNC(=O)c1nc(SC)n2ccccc12 ZINC000618520365 363514402 /nfs/dbraw/zinc/51/44/02/363514402.db2.gz BAWNZHUSGUZNTM-UHFFFAOYSA-N 0 0 305.403 2.379 10 30 DEEERN C=CCOCCCNC(=O)[C@H](C)n1ccc2ccccc2c1=O ZINC000618524974 363515891 /nfs/dbraw/zinc/51/58/91/363515891.db2.gz YACSBVRHVBNZEG-AWEZNQCLSA-N 0 0 314.385 2.271 10 30 DEEERN C=CCOCCCNC(=O)Cc1cccc(N2CCCC2=O)c1 ZINC000618524564 363516024 /nfs/dbraw/zinc/51/60/24/363516024.db2.gz KBFIZKHYCZTRCA-UHFFFAOYSA-N 0 0 316.401 2.065 10 30 DEEERN C=CCOCCCNC(=O)c1cn(CC(F)(F)F)nc1C ZINC000618526909 363516802 /nfs/dbraw/zinc/51/68/02/363516802.db2.gz ZTGJVBSNTFUEMN-UHFFFAOYSA-N 0 0 305.300 2.076 10 30 DEEERN CC[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(N)cc2C#N)[C@@H]1C ZINC000086082969 192548081 /nfs/dbraw/zinc/54/80/81/192548081.db2.gz YCPUFGBYKGIMMS-UHIISALHSA-N 0 0 307.419 2.243 10 30 DEEERN C=CCNC(=O)Cc1noc([C@@H]2C[C@]2(F)c2ccccc2)n1 ZINC000351201383 356629770 /nfs/dbraw/zinc/62/97/70/356629770.db2.gz CCLFGDKFQHDHAD-LRDDRELGSA-N 0 0 301.321 2.267 10 30 DEEERN C=C[C@](C)(O)C(=O)NCc1sc(C)cc1Br ZINC000618646188 363557139 /nfs/dbraw/zinc/55/71/39/363557139.db2.gz WIIOFQVMILPQEY-NSHDSACASA-N 0 0 304.209 2.372 10 30 DEEERN CC[C@@H]1[C@H](CO)CCN1c1ncc(Br)cc1C#N ZINC000386250920 356694724 /nfs/dbraw/zinc/69/47/24/356694724.db2.gz JCSMDCVYGITUGU-JOYOIKCWSA-N 0 0 310.195 2.313 10 30 DEEERN C=CCNC(=O)CNC(=O)Nc1cc(Cl)cc(C)c1OC ZINC000626826211 366337708 /nfs/dbraw/zinc/33/77/08/366337708.db2.gz CUGJKBSVXASZLA-UHFFFAOYSA-N 0 0 311.769 2.081 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCCN3)C1 ZINC000626844447 366344699 /nfs/dbraw/zinc/34/46/99/366344699.db2.gz MVUQPFCEEPFMCC-ZDUSSCGKSA-N 0 0 313.401 2.408 10 30 DEEERN N#Cc1cc(C(F)(F)F)c(S(N)(=O)=O)cc1C(F)(F)F ZINC000514281116 356741743 /nfs/dbraw/zinc/74/17/43/356741743.db2.gz LFWLKZKYUJWZQE-UHFFFAOYSA-N 0 0 318.198 2.243 10 30 DEEERN C=CC[C@H](Cc1ccccc1)N1C(=O)N[C@H](c2ccn(C)n2)C1=O ZINC000578338123 356801530 /nfs/dbraw/zinc/80/15/30/356801530.db2.gz NFLXNQZQYPUHBL-GDBMZVCRSA-N 0 0 324.384 2.200 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1nc(C)c(C)s1 ZINC000578837444 356877485 /nfs/dbraw/zinc/87/74/85/356877485.db2.gz QPMUPSVTOXZZDR-RYUDHWBXSA-N 0 0 316.448 2.019 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000579920169 357051212 /nfs/dbraw/zinc/05/12/12/357051212.db2.gz IQANJOYRJWGRHA-OCCSQVGLSA-N 0 0 319.311 2.224 10 30 DEEERN C=CCn1c(-c2ncccc2C)nnc1N(C)C[C@@H]1CCOC1 ZINC000581955750 357275419 /nfs/dbraw/zinc/27/54/19/357275419.db2.gz ZRLMWUORGMZGFJ-AWEZNQCLSA-N 0 0 313.405 2.307 10 30 DEEERN CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000178770524 198928275 /nfs/dbraw/zinc/92/82/75/198928275.db2.gz MIDWCUOLKXDHLT-UHFFFAOYSA-N 0 0 314.418 2.255 10 30 DEEERN C=CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@](C)(C#N)C1 ZINC000591613375 357742506 /nfs/dbraw/zinc/74/25/06/357742506.db2.gz PIMCFFUVXPJFNH-RHSMWYFYSA-N 0 0 315.421 2.488 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 ZINC000591649749 357747996 /nfs/dbraw/zinc/74/79/96/357747996.db2.gz NPPOQBZKXFHGBF-BBRMVZONSA-N 0 0 319.384 2.190 10 30 DEEERN C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H](C)C#N ZINC000591649795 357748383 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C=C[C@H](C(=O)OC)N1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000593077212 358002437 /nfs/dbraw/zinc/00/24/37/358002437.db2.gz OZMIQRUOAZERLG-KWCYVHTRSA-N 0 0 319.405 2.175 10 30 DEEERN C=C(C)C[C@H](C)C(=O)OCCN1C(=O)c2ccccc2C1=O ZINC000185012320 199794905 /nfs/dbraw/zinc/79/49/05/199794905.db2.gz YJFMCOSOQMDKBF-LBPRGKRZSA-N 0 0 301.342 2.428 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1C(=O)NCc1ccco1 ZINC000185124495 199812144 /nfs/dbraw/zinc/81/21/44/199812144.db2.gz QEKXZSCJCAINJZ-ZFWWWQNUSA-N 0 0 304.390 2.489 10 30 DEEERN C=CCCn1cc(C[S@](=O)Cc2ccc3c(c2)OCO3)nn1 ZINC000593943543 358175344 /nfs/dbraw/zinc/17/53/44/358175344.db2.gz VNZPVFGCVNTTQB-JOCHJYFZSA-N 0 0 319.386 2.032 10 30 DEEERN C=CC[C@H](CO)CNC(=O)Nc1ccc(COC)c(OC)c1 ZINC000627031480 366414273 /nfs/dbraw/zinc/41/42/73/366414273.db2.gz XRZOQEAXIWRWBB-LBPRGKRZSA-N 0 0 308.378 2.148 10 30 DEEERN C=CC[C@H]1N(C(=O)C(=O)N2CC[C@](C)(C#N)C2)CCCC1(C)C ZINC000595183642 358399517 /nfs/dbraw/zinc/39/95/17/358399517.db2.gz 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N#Cc1ccc(CS(=O)(=O)NCC[C@H]2CC2(F)F)cc1 ZINC000598620493 359263245 /nfs/dbraw/zinc/26/32/45/359263245.db2.gz BBYKQFFIJGGVPU-LBPRGKRZSA-N 0 0 300.330 2.023 10 30 DEEERN C=CCSCCNC(=O)NC[C@@H](n1cccn1)C(F)(F)F ZINC000598977769 359373602 /nfs/dbraw/zinc/37/36/02/359373602.db2.gz DLXYNXQJMVKMLM-SNVBAGLBSA-N 0 0 322.356 2.205 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000598804831 359331314 /nfs/dbraw/zinc/33/13/14/359331314.db2.gz MMENVOHSZYROTB-HNNXBMFYSA-N 0 0 318.373 2.191 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000598825226 359335554 /nfs/dbraw/zinc/33/55/54/359335554.db2.gz YBHCLTIWZLJQNY-LSDHHAIUSA-N 0 0 319.792 2.492 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000599373748 359481854 /nfs/dbraw/zinc/48/18/54/359481854.db2.gz CYGHCWFEJGVTKM-GFCCVEGCSA-N 0 0 310.375 2.490 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2C)C1 ZINC000599374963 359482509 /nfs/dbraw/zinc/48/25/09/359482509.db2.gz 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C=C1CC(C)(C(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)OC)C1 ZINC000601037982 359902055 /nfs/dbraw/zinc/90/20/55/359902055.db2.gz GUURPTXYNWISHO-CQSZACIVSA-N 0 0 317.385 2.196 10 30 DEEERN C=C1CCN(C(=O)c2cc(C(=O)OC(C)(C)C)nn2C)CC1 ZINC000601039527 359902385 /nfs/dbraw/zinc/90/23/85/359902385.db2.gz NFMIWAQPNSJHOZ-UHFFFAOYSA-N 0 0 305.378 2.168 10 30 DEEERN C=CCCC(C)(C)CN1C(=O)[C@@H]2C[C@@H](C(=O)OC)CCN2C1=O ZINC000601069334 359911142 /nfs/dbraw/zinc/91/11/42/359911142.db2.gz CKQFURYVGYQSCN-STQMWFEESA-N 0 0 322.405 2.195 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(C)C)c2C)C1 ZINC000627733901 366603516 /nfs/dbraw/zinc/60/35/16/366603516.db2.gz HAINVPQONAGLQE-AWEZNQCLSA-N 0 0 318.421 2.211 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3)c2)C1 ZINC000627734255 366604652 /nfs/dbraw/zinc/60/46/52/366604652.db2.gz OAZANFWAORBAKG-AWEZNQCLSA-N 0 0 324.384 2.235 10 30 DEEERN C=CC(C)(C)CNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601428564 360038242 /nfs/dbraw/zinc/03/82/42/360038242.db2.gz 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C=C(C)C[C@H](NC(=O)[C@H](O)[C@@H](C)c1ccc(C)cc1)C(=O)OC ZINC000601788000 360150499 /nfs/dbraw/zinc/15/04/99/360150499.db2.gz NYXWYOWGPOYFDX-CWRNSKLLSA-N 0 0 319.401 2.083 10 30 DEEERN C=C(C)C[C@H](NC(=O)C[C@@H](C)c1c(C)noc1C)C(=O)OC ZINC000601788491 360150561 /nfs/dbraw/zinc/15/05/61/360150561.db2.gz UVKZKFCDWHHCBP-MFKMUULPSA-N 0 0 308.378 2.409 10 30 DEEERN C=CCC1(C(=O)NC[C@]2(C(=O)OCC)CCCOC2)CCC1 ZINC000601869675 360179312 /nfs/dbraw/zinc/17/93/12/360179312.db2.gz LUKHJZCYFWQCIE-QGZVFWFLSA-N 0 0 309.406 2.209 10 30 DEEERN C=CCN(CCC#N)C(=O)C[C@@H](n1ccnc1)C(F)(F)F ZINC000602154436 360289789 /nfs/dbraw/zinc/28/97/89/360289789.db2.gz SKBLWOBFHUTKTJ-LLVKDONJSA-N 0 0 300.284 2.305 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1c(F)cc(C#N)cc1F)C(=O)OC ZINC000602412498 360361267 /nfs/dbraw/zinc/36/12/67/360361267.db2.gz IOJRVRYVKJBUMD-LBPRGKRZSA-N 0 0 308.284 2.074 10 30 DEEERN C=C(C)C[C@H](NCc1cc(OC)c(OC)cc1OC)C(=O)OC ZINC000602733814 360525919 /nfs/dbraw/zinc/52/59/19/360525919.db2.gz XBFZMKKDCFVDMH-ZDUSSCGKSA-N 0 0 323.389 2.310 10 30 DEEERN C=C(C)CCn1cc(CNC(=O)Nc2cccc(C#N)c2)nn1 ZINC000603227534 360755725 /nfs/dbraw/zinc/75/57/25/360755725.db2.gz UAUQJLZMMOYWSQ-UHFFFAOYSA-N 0 0 310.361 2.438 10 30 DEEERN CN1CC[C@H](COc2cc(Br)ccc2C#N)C1=O ZINC000603336200 360797064 /nfs/dbraw/zinc/79/70/64/360797064.db2.gz QLCYUPVVLGPITB-SNVBAGLBSA-N 0 0 309.163 2.178 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)N(C)C1CC1 ZINC000605583819 360983221 /nfs/dbraw/zinc/98/32/21/360983221.db2.gz OPUIIYIYZZHUEK-UHFFFAOYSA-N 0 0 310.419 2.022 10 30 DEEERN N#Cc1ccc(Cl)cc1NCCCN1CCCS1(=O)=O ZINC000609892526 361347543 /nfs/dbraw/zinc/34/75/43/361347543.db2.gz LBWOCALHTUCBEF-UHFFFAOYSA-N 0 0 313.810 2.049 10 30 DEEERN N#Cc1cc(C(=O)NC2(c3noc(C4CC4)n3)CCCC2)ccn1 ZINC000193434230 201051335 /nfs/dbraw/zinc/05/13/35/201051335.db2.gz HJYNDXCJBQKCPB-UHFFFAOYSA-N 0 0 323.356 2.413 10 30 DEEERN CC(C)C[C@@H](NC(=O)c1ccnc(C#N)c1)C(=O)OC(C)(C)C ZINC000193486208 201061925 /nfs/dbraw/zinc/06/19/25/201061925.db2.gz HHZDSTSHNLEPKM-CQSZACIVSA-N 0 0 317.389 2.439 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000628314954 366806745 /nfs/dbraw/zinc/80/67/45/366806745.db2.gz TWBBSPLAFSPICW-UHFFFAOYSA-N 0 0 301.433 2.484 10 30 DEEERN C=CC(C)(C)CCNC(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000628318110 366807426 /nfs/dbraw/zinc/80/74/26/366807426.db2.gz OVPAKHGRHPDAFT-UHFFFAOYSA-N 0 0 315.373 2.222 10 30 DEEERN C=CC(C)(C)CCNC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000628317550 366807788 /nfs/dbraw/zinc/80/77/88/366807788.db2.gz OEMPLVOXFGXFTI-UHFFFAOYSA-N 0 0 324.446 2.026 10 30 DEEERN N#Cc1cccc(CC(=O)N2CCN(c3ccc(O)cc3)CC2)c1 ZINC000610527908 361416723 /nfs/dbraw/zinc/41/67/23/361416723.db2.gz MJTRLTYTGMYSEW-UHFFFAOYSA-N 0 0 321.380 2.155 10 30 DEEERN C[C@H]1N(C(=O)NCc2ccc(C#N)cc2F)CCOC1(C)C ZINC000610795341 361469151 /nfs/dbraw/zinc/46/91/51/361469151.db2.gz CWLCENGZVRKMKG-LLVKDONJSA-N 0 0 305.353 2.406 10 30 DEEERN CCO[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000611538521 361626270 /nfs/dbraw/zinc/62/62/70/361626270.db2.gz RXPIZMLWIJFHMC-DYVFJYSZSA-N 0 0 324.421 2.276 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H](C)C1(OC)CCC1 ZINC000611978914 361717521 /nfs/dbraw/zinc/71/75/21/361717521.db2.gz QMTNOQIPLKWUJQ-RBSFLKMASA-N 0 0 322.449 2.311 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CCC[C@H]1OCC ZINC000611928789 361707327 /nfs/dbraw/zinc/70/73/27/361707327.db2.gz MQHSWGMIPRIBDZ-KLHDSHLOSA-N 0 0 322.449 2.311 10 30 DEEERN C[C@H](C(=O)N[C@H](c1ccccc1)C(F)(F)F)n1cnc(C#N)n1 ZINC000619587167 363835571 /nfs/dbraw/zinc/83/55/71/363835571.db2.gz AOQGJFVVDGEIMO-BXKDBHETSA-N 0 0 323.278 2.131 10 30 DEEERN C[C@@H](C(=O)N1CC(C)(C)[C@@H]1c1ccccc1)n1cnc(C#N)n1 ZINC000619588430 363835778 /nfs/dbraw/zinc/83/57/78/363835778.db2.gz ABASPMUVVIEKSG-WFASDCNBSA-N 0 0 309.373 2.320 10 30 DEEERN C=C[C@H](C(=O)OC)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000619719740 363864825 /nfs/dbraw/zinc/86/48/25/363864825.db2.gz ACAYVNVJQMIRKO-XJKSGUPXSA-N 0 0 306.381 2.232 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)C3CC3)cc2C1=O ZINC000619640619 363845738 /nfs/dbraw/zinc/84/57/38/363845738.db2.gz JRBMRDBCAONCJL-NSHDSACASA-N 0 0 312.369 2.245 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(Br)cn1 ZINC000620312494 364014206 /nfs/dbraw/zinc/01/42/06/364014206.db2.gz BHZACTQXRARQQP-TXEJJXNPSA-N 0 0 310.195 2.355 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1ccc(F)cc1 ZINC000620317751 364015233 /nfs/dbraw/zinc/01/52/33/364015233.db2.gz WRNYKFBPUMUWNB-GASCZTMLSA-N 0 0 302.349 2.265 10 30 DEEERN C[C@H]1[C@H](C(F)(F)F)CCN1S(=O)(=O)CC1(CC#N)CC1 ZINC000451514537 291298391 /nfs/dbraw/zinc/29/83/91/291298391.db2.gz ZVEHQAQUPZPSAZ-VHSXEESVSA-N 0 0 310.341 2.283 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC2(CC)COC2)nn1 ZINC000620302276 364012716 /nfs/dbraw/zinc/01/27/16/364012716.db2.gz XAQVFRHYPWGZDY-OKILXGFUSA-N 0 0 316.405 2.028 10 30 DEEERN Cc1cccc(N2CCN(C(=O)c3ccc(C#N)n3C)CC2)c1 ZINC000448619585 239465416 /nfs/dbraw/zinc/46/54/16/239465416.db2.gz YQLVHFQDLMRYPH-UHFFFAOYSA-N 0 0 308.385 2.168 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000620809133 364166761 /nfs/dbraw/zinc/16/67/61/364166761.db2.gz LLYAXIYHOHWLLI-KXNHARMFSA-N 0 0 307.312 2.146 10 30 DEEERN C=CCOCC(=O)NCc1cc(-c2ccccc2OC)no1 ZINC000620961113 364213814 /nfs/dbraw/zinc/21/38/14/364213814.db2.gz HIUMUTIZMAJPRQ-UHFFFAOYSA-N 0 0 302.330 2.169 10 30 DEEERN C=C[C@](C)(O)CC(=O)NCc1cc(-c2ccccc2OC)no1 ZINC000620962083 364214547 /nfs/dbraw/zinc/21/45/47/364214547.db2.gz KARAKDLOTRDPKZ-KRWDZBQOSA-N 0 0 316.357 2.294 10 30 DEEERN C=CCn1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCCO3)nn1 ZINC000621178640 364293249 /nfs/dbraw/zinc/29/32/49/364293249.db2.gz AHKLIYVCPCKGDE-GFCCVEGCSA-N 0 0 312.373 2.280 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000621192610 364299029 /nfs/dbraw/zinc/29/90/29/364299029.db2.gz GMWVOENMUUFXKJ-HNNXBMFYSA-N 0 0 312.316 2.143 10 30 DEEERN C=CCN(CC=C)C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621563782 364456113 /nfs/dbraw/zinc/45/61/13/364456113.db2.gz NYOJMUSPCYQQFH-OAHLLOKOSA-N 0 0 320.414 2.040 10 30 DEEERN C=CCn1cc(C(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)nn1 ZINC000628458232 366853512 /nfs/dbraw/zinc/85/35/12/366853512.db2.gz IIXAYYPVEAEYSU-VHDGCEQUSA-N 0 0 314.776 2.186 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CNC(=O)c2cc(C)cc(C)c2)C1 ZINC000628482697 366862945 /nfs/dbraw/zinc/86/29/45/366862945.db2.gz WGQUACHVQDGQQR-OAHLLOKOSA-N 0 0 300.402 2.458 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(CC(F)F)CC1CCC1 ZINC000622834504 364808391 /nfs/dbraw/zinc/80/83/91/364808391.db2.gz OQUWIRHBZZMMSZ-ZDUSSCGKSA-N 0 0 302.365 2.351 10 30 DEEERN C=CCOc1ccccc1C(=O)N[C@@H](COC)C1CCOCC1 ZINC000622906621 364828222 /nfs/dbraw/zinc/82/82/22/364828222.db2.gz WECTZLZSGHVDSM-INIZCTEOSA-N 0 0 319.401 2.423 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000623591757 365093679 /nfs/dbraw/zinc/09/36/79/365093679.db2.gz DZGUSVCHRNUABS-UHFFFAOYSA-N 0 0 321.396 2.457 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC000623591851 365093973 /nfs/dbraw/zinc/09/39/73/365093973.db2.gz JQCQCHQGHHSVEJ-CYBMUJFWSA-N 0 0 319.380 2.163 10 30 DEEERN C=CC(C)(C)CNC(=O)NC[C@@H](n1cccn1)C(F)(F)F ZINC000624155750 365311210 /nfs/dbraw/zinc/31/12/10/365311210.db2.gz CKKPQENTFSSTFY-SNVBAGLBSA-N 0 0 304.316 2.498 10 30 DEEERN C=CC(C)(C)CNC(=O)NC[C@H](n1cccn1)C(F)(F)F ZINC000624155749 365311386 /nfs/dbraw/zinc/31/13/86/365311386.db2.gz CKKPQENTFSSTFY-JTQLQIEISA-N 0 0 304.316 2.498 10 30 DEEERN CSC1(C#N)CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000091471869 193061298 /nfs/dbraw/zinc/06/12/98/193061298.db2.gz QCVVOLDDDCBWHU-UHFFFAOYSA-N 0 0 307.394 2.485 10 30 DEEERN N#C[C@H]1COCCN1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091685348 193091678 /nfs/dbraw/zinc/09/16/78/193091678.db2.gz ZLMFHQUMUSQLNB-UONOGXRCSA-N 0 0 305.765 2.057 10 30 DEEERN N#C[C@@H]1CNCCN1CCOc1ccc(Cl)cc1Cl ZINC000091748263 193101730 /nfs/dbraw/zinc/10/17/30/193101730.db2.gz DGAMALKRRNTMKZ-LLVKDONJSA-N 0 0 300.189 2.170 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCc1cc(=O)n2ccccc2n1 ZINC000624305205 365374155 /nfs/dbraw/zinc/37/41/55/365374155.db2.gz XWWUOZXWUCJUPT-UHFFFAOYSA-N 0 0 314.389 2.096 10 30 DEEERN C=CC(C)(C)CCNC(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000624464397 365430135 /nfs/dbraw/zinc/43/01/35/365430135.db2.gz YFOOIXZLBWWPLT-UHFFFAOYSA-N 0 0 305.426 2.286 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000628768569 366963040 /nfs/dbraw/zinc/96/30/40/366963040.db2.gz HETKNOLMWNZYBD-ILXRZTDVSA-N 0 0 315.348 2.346 10 30 DEEERN C[C@H](CNC(=O)c1ccc(C#N)n1C)Oc1ccc(F)cc1 ZINC000449969789 241306839 /nfs/dbraw/zinc/30/68/39/241306839.db2.gz SPYWLDJYFSEXRP-LLVKDONJSA-N 0 0 301.321 2.233 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1CCO[C@H](CCF)C1 ZINC000629014911 367049620 /nfs/dbraw/zinc/04/96/20/367049620.db2.gz PIQMQHKQWMJNJE-CQSZACIVSA-N 0 0 323.364 2.461 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCO[C@H](CCF)C2)cc1OC ZINC000629025470 367056056 /nfs/dbraw/zinc/05/60/56/367056056.db2.gz XZHPRSQBBAFYIR-CQSZACIVSA-N 0 0 323.364 2.461 10 30 DEEERN C=CCNC(=O)[C@@H](C)Nc1ccc2c(c1)[C@H](C)CC(=O)N2C ZINC000629274107 367147209 /nfs/dbraw/zinc/14/72/09/367147209.db2.gz ZWQGPBBFFUGKKI-VXGBXAGGSA-N 0 0 301.390 2.259 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2ccc(OC)c(OCC)c2)C1=O ZINC000630503620 367693732 /nfs/dbraw/zinc/69/37/32/367693732.db2.gz VIGRBOSWQYIWIV-LBPRGKRZSA-N 0 0 304.346 2.485 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1=O ZINC000630507293 367695812 /nfs/dbraw/zinc/69/58/12/367695812.db2.gz VEPOUCTWCHIXSJ-LLVKDONJSA-N 0 0 320.345 2.103 10 30 DEEERN COc1ccc2c(c1)CCN(C(=O)c1ccc(C#N)n1C)CC2 ZINC000451029962 242507260 /nfs/dbraw/zinc/50/72/60/242507260.db2.gz SVNLDDFPDLRPLK-UHFFFAOYSA-N 0 0 309.369 2.146 10 30 DEEERN C=C1CC(C)(C(=O)NCc2cccc(OCC(=O)NCC)c2)C1 ZINC000630784808 367843175 /nfs/dbraw/zinc/84/31/75/367843175.db2.gz WZZHZKCBXGIEBW-UHFFFAOYSA-N 0 0 316.401 2.174 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2cccc(Cn3cccn3)c2)C1=O ZINC000630967284 367941761 /nfs/dbraw/zinc/94/17/61/367941761.db2.gz JJQFPYANKLPLMG-INIZCTEOSA-N 0 0 324.384 2.318 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2cccc(NC(=O)CC)c2)C1=O ZINC000630967999 367941773 /nfs/dbraw/zinc/94/17/73/367941773.db2.gz RGPZTBVKDVDASC-CQSZACIVSA-N 0 0 315.373 2.422 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccc(OCCC)nc2)C1=O ZINC000630971023 367943953 /nfs/dbraw/zinc/94/39/53/367943953.db2.gz FRSXHFAPETVBSN-ZDUSSCGKSA-N 0 0 303.362 2.257 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2C[C@H](Oc3ccccc3)C2)C1=O ZINC000630985955 367951607 /nfs/dbraw/zinc/95/16/07/367951607.db2.gz HLHBZDDUGGPQMJ-QEJZJMRPSA-N 0 0 300.358 2.483 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)C1 ZINC000631761302 368374701 /nfs/dbraw/zinc/37/47/01/368374701.db2.gz QZDIQWSVYSPSJN-CYBMUJFWSA-N 0 0 314.385 2.273 10 30 DEEERN C=C[C@](C)(CC)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000452256182 244077867 /nfs/dbraw/zinc/07/78/67/244077867.db2.gz STIPWOZNSOUWIM-BLLLJJGKSA-N 0 0 307.415 2.276 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC1CCC(CS(C)(=O)=O)CC1 ZINC000452277874 244100190 /nfs/dbraw/zinc/10/01/90/244100190.db2.gz QCBBURMLRJTIHC-IYXRBSQSSA-N 0 0 301.452 2.308 10 30 DEEERN CC[C@@H](C)CN(CC)S(=O)(=O)c1cccc(C#CCO)c1 ZINC000093265085 193223227 /nfs/dbraw/zinc/22/32/27/193223227.db2.gz JAKSGKHMTZVTSV-CQSZACIVSA-N 0 0 309.431 2.087 10 30 DEEERN N#Cc1c(F)cccc1-n1cc(I)cn1 ZINC000093406724 193246042 /nfs/dbraw/zinc/24/60/42/193246042.db2.gz RBYWRYNDGDQKQY-UHFFFAOYSA-N 0 0 313.073 2.488 10 30 DEEERN CCCN[C@@]1(C#N)CC[C@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093807034 193308935 /nfs/dbraw/zinc/30/89/35/193308935.db2.gz WSCOOJRPPPKGKH-FZMZJTMJSA-N 0 0 309.439 2.059 10 30 DEEERN Cc1cc(C(=O)N[C@H](C)c2cccnc2)sc1C#CCO ZINC000094533698 193377571 /nfs/dbraw/zinc/37/75/71/193377571.db2.gz CDYAKBRDUWIUBB-GFCCVEGCSA-N 0 0 300.383 2.286 10 30 DEEERN Cc1cc(C(=O)N2C[C@@H](C)OC[C@H]2C)sc1C#CCCO ZINC000094533972 193377753 /nfs/dbraw/zinc/37/77/53/193377753.db2.gz ZKIAAHUHMVYTCI-CHWSQXEVSA-N 0 0 307.415 2.040 10 30 DEEERN N#Cc1nccn1CCCC(=O)Nc1cc(Cl)ccc1N ZINC000094936627 193406863 /nfs/dbraw/zinc/40/68/63/193406863.db2.gz SRJUFIFKIRDJNQ-UHFFFAOYSA-N 0 0 303.753 2.409 10 30 DEEERN CNC(=O)c1ccccc1C#CCNC(=O)CC1CCCCC1 ZINC000096348554 193614660 /nfs/dbraw/zinc/61/46/60/193614660.db2.gz WUFBYFCGMLIAIV-UHFFFAOYSA-N 0 0 312.413 2.484 10 30 DEEERN Cc1c(C(=O)Nc2cccc(C#N)c2)sc2ncn(C)c(=O)c12 ZINC000011372858 181690023 /nfs/dbraw/zinc/69/00/23/181690023.db2.gz HJDMMPFSASOWJX-UHFFFAOYSA-N 0 0 324.365 2.427 10 30 DEEERN N#Cc1cccnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000012800692 181799191 /nfs/dbraw/zinc/79/91/91/181799191.db2.gz IJZOSTCLNZFLPH-UHFFFAOYSA-N 0 0 309.329 2.188 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCCc1cn2ccccc2n1 ZINC000160290554 197398612 /nfs/dbraw/zinc/39/86/12/197398612.db2.gz YITVSQLIEZLPNL-UHFFFAOYSA-N 0 0 304.353 2.487 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 ZINC000454807208 246169603 /nfs/dbraw/zinc/16/96/03/246169603.db2.gz LHQJQKWXCHHMHE-IHRRRGAJSA-N 0 0 314.451 2.092 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N1CCN(c2ccc(OC)cn2)CC1 ZINC000454904890 246240601 /nfs/dbraw/zinc/24/06/01/246240601.db2.gz GHUCEKHNTIOBKE-CQSZACIVSA-N 0 0 318.421 2.277 10 30 DEEERN Cc1nc(CN(C)C(=O)C(C)(C)Cc2ccc(C#N)cc2)no1 ZINC000455996627 246873834 /nfs/dbraw/zinc/87/38/34/246873834.db2.gz PEGWRCUFWDSPOA-UHFFFAOYSA-N 0 0 312.373 2.477 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCC1(CO)CC1 ZINC000456433260 247186833 /nfs/dbraw/zinc/18/68/33/247186833.db2.gz MJCMRVSZVRURPJ-INIZCTEOSA-N 0 0 316.401 2.240 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000456668984 247349221 /nfs/dbraw/zinc/34/92/21/247349221.db2.gz XQICAARTOWFETB-QWHCGFSZSA-N 0 0 322.371 2.310 10 30 DEEERN CCC[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000456857234 247461844 /nfs/dbraw/zinc/46/18/44/247461844.db2.gz JXNJYCCTARLRTK-MGPQQGTHSA-N 0 0 303.410 2.433 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000458623231 248405428 /nfs/dbraw/zinc/40/54/28/248405428.db2.gz QGKUZKQWUKYSKF-JJXSEGSLSA-N 0 0 310.438 2.303 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CO)[C@@H](C)O ZINC000459527425 248641440 /nfs/dbraw/zinc/64/14/40/248641440.db2.gz MOFYRKNRNIUBTK-IUODEOHRSA-N 0 0 306.406 2.402 10 30 DEEERN CC(C)CN(CCC#N)S(=O)(=O)c1ccnc(Cl)c1 ZINC000038109103 182991786 /nfs/dbraw/zinc/99/17/86/182991786.db2.gz MIWPHIPMJMBELE-UHFFFAOYSA-N 0 0 301.799 2.295 10 30 DEEERN C=C(C)C(=O)NCCCc1nc2ccccc2n1CCOC ZINC000040210194 183045548 /nfs/dbraw/zinc/04/55/48/183045548.db2.gz HVUJEBBVYWTIMX-UHFFFAOYSA-N 0 0 301.390 2.308 10 30 DEEERN Cc1cccc(NC(=O)C(=O)N[C@H]2CCCC(F)(F)C2)c1C#N ZINC000491830763 248966802 /nfs/dbraw/zinc/96/68/02/248966802.db2.gz FSJUNDFAMFSYMS-NSHDSACASA-N 0 0 321.327 2.499 10 30 DEEERN CCN(CC)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000041258046 183181704 /nfs/dbraw/zinc/18/17/04/183181704.db2.gz UDVKURLLIDEKSH-MRXNPFEDSA-N 0 0 318.396 2.470 10 30 DEEERN N#Cc1ccccc1CS(=O)(=O)c1c(F)cc(N)cc1F ZINC000042193821 183240546 /nfs/dbraw/zinc/24/05/46/183240546.db2.gz LJJWQWISZIRZEN-UHFFFAOYSA-N 0 0 308.309 2.393 10 30 DEEERN CC(C)N(CCC#N)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000042530826 183282156 /nfs/dbraw/zinc/28/21/56/183282156.db2.gz QNIYPLYWEZPQMZ-UHFFFAOYSA-N 0 0 311.363 2.127 10 30 DEEERN Cc1cnn([C@H]2CCCN(CC(=O)Nc3cccc(C#N)c3)C2)c1 ZINC000105900026 194165340 /nfs/dbraw/zinc/16/53/40/194165340.db2.gz ZRVWSJWRAMSPAA-KRWDZBQOSA-N 0 0 323.400 2.339 10 30 DEEERN N#Cc1ccc(C(=O)Cn2cc(Br)ccc2=O)cc1 ZINC000048028134 183615464 /nfs/dbraw/zinc/61/54/64/183615464.db2.gz LGORPJBNHJPJMY-UHFFFAOYSA-N 0 0 317.142 2.365 10 30 DEEERN Cc1cc(C#N)nc(N2CCN(C/C=C\c3ccccc3)CC2)n1 ZINC000553228812 291736634 /nfs/dbraw/zinc/73/66/34/291736634.db2.gz JLKRDZHMTOWXFQ-YVMONPNESA-N 0 0 319.412 2.492 10 30 DEEERN C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)c1ccnc(C#N)c1 ZINC000285438322 218437356 /nfs/dbraw/zinc/43/73/56/218437356.db2.gz ISOGYEXHRMNCQU-BQFCYCMXSA-N 0 0 313.401 2.499 10 30 DEEERN CC[C@@H](C#N)N1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000109446198 194263664 /nfs/dbraw/zinc/26/36/64/194263664.db2.gz HNQSVSHJEIIJKX-AWEZNQCLSA-N 0 0 305.809 2.329 10 30 DEEERN C[C@@H](C#N)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000109445203 194263851 /nfs/dbraw/zinc/26/38/51/194263851.db2.gz CCAPQCWEVXDZMT-NSHDSACASA-N 0 0 322.206 2.119 10 30 DEEERN CC(C)(C)CN(CCC#N)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000109812089 194289435 /nfs/dbraw/zinc/28/94/35/194289435.db2.gz IYWCBEJUXQHEHH-HOTGVXAUSA-N 0 0 321.465 2.418 10 30 DEEERN C#CCN[C@H](C(=O)OCC)c1ccc(Br)s1 ZINC000051965563 183844292 /nfs/dbraw/zinc/84/42/92/183844292.db2.gz PGBNLDMMGPJMAE-JTQLQIEISA-N 0 0 302.193 2.338 10 30 DEEERN N#CCOc1ccc(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000110227336 194317413 /nfs/dbraw/zinc/31/74/13/194317413.db2.gz LEAQTUSDQTYGGM-DLBZAZTESA-N 0 0 314.385 2.301 10 30 DEEERN CC[C@H](C#N)N1CCN(c2ccc(Br)cn2)CC1 ZINC000110909797 194369290 /nfs/dbraw/zinc/36/92/90/194369290.db2.gz PSXPIGIGPJQJFW-GFCCVEGCSA-N 0 0 309.211 2.268 10 30 DEEERN CC[C@@H](C/C(N)=N/O)NC(=O)c1ccc(Br)cc1 ZINC000054162951 183927183 /nfs/dbraw/zinc/92/71/83/183927183.db2.gz FCVHAFDDNODISM-JTQLQIEISA-N 0 0 314.183 2.094 10 30 DEEERN C[C@@H]1Cc2ccccc2N1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000059768247 184141030 /nfs/dbraw/zinc/14/10/30/184141030.db2.gz URLBVGNBBPYYJT-GFCCVEGCSA-N 0 0 305.337 2.475 10 30 DEEERN C[C@H](C(=O)c1ccc(Br)cc1)n1cnc(C#N)n1 ZINC000061842335 184189645 /nfs/dbraw/zinc/18/96/45/184189645.db2.gz DPDRDIRUIZOJBU-MRVPVSSYSA-N 0 0 305.135 2.356 10 30 DEEERN COC(=O)[C@@H]1CN(C(=O)Cc2cccc(C#N)c2)c2ccccc21 ZINC000530395382 269704163 /nfs/dbraw/zinc/70/41/63/269704163.db2.gz FRYAMJBDUJHLQI-MRXNPFEDSA-N 0 0 320.348 2.404 10 30 DEEERN Cc1ccc(S(=O)(=O)N(C)c2ccc(C#N)cc2)c(N)c1 ZINC000061979690 184199647 /nfs/dbraw/zinc/19/96/47/184199647.db2.gz HICVQUZUMCUEHP-UHFFFAOYSA-N 0 0 301.371 2.274 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CSCC#N ZINC000062897806 184259037 /nfs/dbraw/zinc/25/90/37/184259037.db2.gz REXNGJBERGOJIK-UHFFFAOYSA-N 0 0 305.359 2.366 10 30 DEEERN CC(C)CN(CCC#N)Cc1nc2c(cnn2C)c(Cl)n1 ZINC000063077570 184269023 /nfs/dbraw/zinc/26/90/23/184269023.db2.gz ZBIBDEVEEPBTCC-UHFFFAOYSA-N 0 0 306.801 2.388 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000066376593 184405862 /nfs/dbraw/zinc/40/58/62/184405862.db2.gz MEZHBYWNEJTIMW-SNVBAGLBSA-N 0 0 303.391 2.165 10 30 DEEERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@H](C)O1 ZINC000048659668 207354000 /nfs/dbraw/zinc/35/40/00/207354000.db2.gz ISFARPFONRVQLG-AOOOYVTPSA-N 0 0 314.794 2.010 10 30 DEEERN N#Cc1ccc(NC(=O)N2CCC[C@H](c3ccnc(N)n3)C2)cc1 ZINC000192945528 207370171 /nfs/dbraw/zinc/37/01/71/207370171.db2.gz OINVSSCVXMSOIJ-ZDUSSCGKSA-N 0 0 322.372 2.342 10 30 DEEERN C#CC[C@H](NC(=O)N1CCC[C@H](C(=O)OC)C1)c1ccccc1 ZINC000270193329 208256122 /nfs/dbraw/zinc/25/61/22/208256122.db2.gz DDFJVKYOVWCZHU-HOTGVXAUSA-N 0 0 314.385 2.346 10 30 DEEERN C=C(C)CN(CC)S(=O)(=O)c1cc(C)c(F)c(CO)c1 ZINC000158986280 197316011 /nfs/dbraw/zinc/31/60/11/197316011.db2.gz LJOZHFQQXKXBMI-UHFFFAOYSA-N 0 0 301.383 2.213 10 30 DEEERN C=CCn1ncc(NC[C@@H](C)SC)c(Br)c1=O ZINC000158561790 197283506 /nfs/dbraw/zinc/28/35/06/197283506.db2.gz QCUMYAUTXOMGMQ-MRVPVSSYSA-N 0 0 318.240 2.355 10 30 DEEERN CC[C@@H]1CN(C(=O)c2cc(C)cc(C#CCO)c2)CCS1 ZINC000157976027 197232515 /nfs/dbraw/zinc/23/25/15/197232515.db2.gz MYLIKARRIFEUMZ-MRXNPFEDSA-N 0 0 303.427 2.306 10 30 DEEERN N#C[C@]1([C@@H](O)c2cccc3ccccc32)CCS(=O)(=O)C1 ZINC000157640837 197203300 /nfs/dbraw/zinc/20/33/00/197203300.db2.gz RRPBFBZHXIKRFC-JKSUJKDBSA-N 0 0 301.367 2.202 10 30 DEEERN COCCOC[C@H]1CCN(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000440985719 533130023 /nfs/dbraw/zinc/13/00/23/533130023.db2.gz MTLKXVGRNNLRCS-GPANFISMSA-N 0 0 323.437 2.011 10 30 DEEERN N#Cc1cccc(S(=O)(=O)CCN(CC(F)F)C2CC2)c1 ZINC000156732350 197136668 /nfs/dbraw/zinc/13/66/68/197136668.db2.gz ZYISVFPYDKJDJA-UHFFFAOYSA-N 0 0 314.357 2.061 10 30 DEEERN O=C(NC[C@@H]1CCCCS1)c1cccc(C#CCCO)c1 ZINC000156561951 197124193 /nfs/dbraw/zinc/12/41/93/197124193.db2.gz YOSNCYSVYPSLRP-INIZCTEOSA-N 0 0 303.427 2.436 10 30 DEEERN O=C(NC[C@H]1CCCCS1)c1sccc1C#CCCO ZINC000156558276 197123091 /nfs/dbraw/zinc/12/30/91/197123091.db2.gz AHBLNLDJUUYTGV-CYBMUJFWSA-N 0 0 309.456 2.498 10 30 DEEERN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H]1CCCO1 ZINC000156392529 197109408 /nfs/dbraw/zinc/10/94/08/197109408.db2.gz SUECFGAWJSSPOK-SKDRFNHKSA-N 0 0 314.794 2.057 10 30 DEEERN N#Cc1ccsc1NC(=O)CN1CC[C@H]2OCCC[C@@H]2C1 ZINC000155379557 197049053 /nfs/dbraw/zinc/04/90/53/197049053.db2.gz BOZUNDFPXMHDCD-CHWSQXEVSA-N 0 0 305.403 2.059 10 30 DEEERN C#CCCCCNC(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000154930981 197005805 /nfs/dbraw/zinc/00/58/05/197005805.db2.gz STUKJVZAFQPVKN-AWEZNQCLSA-N 0 0 323.437 2.489 10 30 DEEERN CO[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000441435671 533406602 /nfs/dbraw/zinc/40/66/02/533406602.db2.gz MVNAENHNOKANTC-OGHNNQOOSA-N 0 0 324.421 2.274 10 30 DEEERN C[C@@H](CC(=O)Nc1nc2cccnc2n1C)N1CCCCC1=O ZINC000329385737 533499369 /nfs/dbraw/zinc/49/93/69/533499369.db2.gz QBMTWTPFNPKVAL-NSHDSACASA-N 0 0 315.377 2.347 10 30 DEEERN Cc1cc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1F ZINC000369228041 533658522 /nfs/dbraw/zinc/65/85/22/533658522.db2.gz CEXAACFFUSJJDQ-HNNXBMFYSA-N 0 0 316.380 2.016 10 30 DEEERN CC(=O)N1CCC[C@H](c2noc(Cc3cccc(C#N)c3)n2)C1 ZINC000546449679 285494099 /nfs/dbraw/zinc/49/40/99/285494099.db2.gz SBYALNWURXPSGJ-HNNXBMFYSA-N 0 0 310.357 2.258 10 30 DEEERN CN(C(=O)c1sccc1C#N)[C@H](CC(N)=O)c1ccccc1 ZINC000358061849 133118432 /nfs/dbraw/zinc/11/84/32/133118432.db2.gz LWSFWBMSJJTWEU-CYBMUJFWSA-N 0 0 313.382 2.308 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCCC[C@@H]1CN1CCCC1=O ZINC000362779151 133251042 /nfs/dbraw/zinc/25/10/42/133251042.db2.gz XOFAOJIAZSTSPN-CYBMUJFWSA-N 0 0 317.414 2.237 10 30 DEEERN N#Cc1cc(S(=O)(=O)N2Cc3ccccc3CO2)ccc1F ZINC000376314997 133290402 /nfs/dbraw/zinc/29/04/02/133290402.db2.gz FANXWUCOBGRLDA-UHFFFAOYSA-N 0 0 318.329 2.333 10 30 DEEERN N#Cc1ccc(NC(=O)C(=O)Nc2cccc3c2OCCC3)cc1 ZINC000372676894 133362089 /nfs/dbraw/zinc/36/20/89/133362089.db2.gz OAXPIHIWVISCGV-UHFFFAOYSA-N 0 0 321.336 2.460 10 30 DEEERN N#Cc1ccc(N2CCC[C@@H](Cc3nnc4ccccn43)C2)cn1 ZINC000373346307 133387576 /nfs/dbraw/zinc/38/75/76/133387576.db2.gz IZSRKBWZZUCCJH-AWEZNQCLSA-N 0 0 318.384 2.455 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1cncnc1-n1cccn1 ZINC000181975280 144912324 /nfs/dbraw/zinc/91/23/24/144912324.db2.gz ZUJPKISQGJFCKN-UHFFFAOYSA-N 0 0 304.313 2.095 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2CC2(Cl)Cl)cn1 ZINC000183680201 144932696 /nfs/dbraw/zinc/93/26/96/144932696.db2.gz HSDMLRWUZNNHOL-JTQLQIEISA-N 0 0 322.155 2.271 10 30 DEEERN CCCc1noc(C[S@](=O)Cc2ccc(C#N)c(F)c2)n1 ZINC000190762414 145047825 /nfs/dbraw/zinc/04/78/25/145047825.db2.gz HYYVPVSMXWDUBU-OAQYLSRUSA-N 0 0 307.350 2.482 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(F)c(C#N)c1 ZINC000191193908 145054254 /nfs/dbraw/zinc/05/42/54/145054254.db2.gz VBIDZNBVWFOZJK-INWMFGNUSA-N 0 0 302.349 2.471 10 30 DEEERN COC(=O)c1cccc(-c2noc(-c3ccnc(C#N)c3)n2)c1 ZINC000193211384 145083716 /nfs/dbraw/zinc/08/37/16/145083716.db2.gz KQDOCLQFHSFNPC-UHFFFAOYSA-N 0 0 306.281 2.457 10 30 DEEERN C[C@H](NC(=O)c1ccnc(C#N)c1)c1nc2ccccc2n1C ZINC000193301307 145084435 /nfs/dbraw/zinc/08/44/35/145084435.db2.gz BVOPGWHPOMXIRD-NSHDSACASA-N 0 0 305.341 2.331 10 30 DEEERN N#Cc1cccn(CC(=O)c2cccc(Br)c2)c1=O ZINC000311601261 145353622 /nfs/dbraw/zinc/35/36/22/145353622.db2.gz GWGPJLYPMDPKBK-UHFFFAOYSA-N 0 0 317.142 2.365 10 30 DEEERN C[C@H](Nc1cnn(CC(=O)N(C)C)c1)c1ccc(C#N)cc1F ZINC000358438506 147134748 /nfs/dbraw/zinc/13/47/48/147134748.db2.gz GKVBTDKTISBBBR-NSHDSACASA-N 0 0 315.352 2.155 10 30 DEEERN CC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000361722298 147573938 /nfs/dbraw/zinc/57/39/38/147573938.db2.gz VHQRAYUZONHAOT-GFCCVEGCSA-N 0 0 323.299 2.109 10 30 DEEERN COc1ccc2c(c1)OC[C@H](NC(=O)c1sccc1C#N)C2 ZINC000371330907 148088548 /nfs/dbraw/zinc/08/85/48/148088548.db2.gz YPNVDZQIHQACBM-GFCCVEGCSA-N 0 0 314.366 2.362 10 30 DEEERN C[C@H]1CCOCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000374979200 148311797 /nfs/dbraw/zinc/31/17/97/148311797.db2.gz LEORMGIDWXVORZ-JTQLQIEISA-N 0 0 314.794 2.011 10 30 DEEERN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)c2cc(C#N)cn2C)C1 ZINC000408221756 148577401 /nfs/dbraw/zinc/57/74/01/148577401.db2.gz KZORTZAPDBPEOS-SJKOYZFVSA-N 0 0 303.406 2.204 10 30 DEEERN CN(Cc1cccc(C#N)c1)C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000073889712 401724089 /nfs/dbraw/zinc/72/40/89/401724089.db2.gz FJXCLEPBHOFHGI-UHFFFAOYSA-N 0 0 318.336 2.479 10 30 DEEERN N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000111921366 401728154 /nfs/dbraw/zinc/72/81/54/401728154.db2.gz ZRZFJZIRUCOUGB-DOTOQJQBSA-N 0 0 319.364 2.417 10 30 DEEERN O=C(Cc1ccc(Br)s1)N=C1NCCS1 ZINC000074395218 401737848 /nfs/dbraw/zinc/73/78/48/401737848.db2.gz OJCLTOQGNQOQKS-UHFFFAOYSA-N 0 0 305.222 2.272 10 30 DEEERN CC(C)[C@@H](C)NC(=O)C1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000112560104 401749445 /nfs/dbraw/zinc/74/94/45/401749445.db2.gz KAEJSYIAJVSMOJ-HUUCEWRRSA-N 0 0 304.438 2.303 10 30 DEEERN Cn1cc([C@@H]2CCCN2C(=O)Cc2ccc(OCC#N)cc2)cn1 ZINC000110710949 401693459 /nfs/dbraw/zinc/69/34/59/401693459.db2.gz AVLXKNCIQOUBJA-KRWDZBQOSA-N 0 0 324.384 2.229 10 30 DEEERN N#Cc1cnc(NCC2(C[NH+]3CCOCC3)CCCCC2)cn1 ZINC000126643557 401703056 /nfs/dbraw/zinc/70/30/56/401703056.db2.gz IFACOMQEUHQIJB-UHFFFAOYSA-N 0 0 315.421 2.043 10 30 DEEERN CC(C)CCN(CCC#N)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000072692336 401711705 /nfs/dbraw/zinc/71/17/05/401711705.db2.gz DPAOIPWEQXJARA-DLBZAZTESA-N 0 0 321.465 2.418 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000076952324 401801506 /nfs/dbraw/zinc/80/15/06/401801506.db2.gz FOZWMIZYJMQURN-CQSZACIVSA-N 0 0 303.410 2.053 10 30 DEEERN CCCCCCCC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000127894836 401754647 /nfs/dbraw/zinc/75/46/47/401754647.db2.gz RTRYYCYJZIZETD-INIZCTEOSA-N 0 0 324.465 2.444 10 30 DEEERN C#CCOCCC(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000128444965 401777376 /nfs/dbraw/zinc/77/73/76/401777376.db2.gz SAOUTPMBNLARNQ-UHFFFAOYSA-N 0 0 304.365 2.269 10 30 DEEERN C=C[C@H](C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000128489861 401779594 /nfs/dbraw/zinc/77/95/94/401779594.db2.gz ZTLKBFHGTQYANZ-IHRRRGAJSA-N 0 0 318.421 2.069 10 30 DEEERN C[C@@H](NC(=O)C#Cc1ccccc1)c1cn(-c2ccccc2)nn1 ZINC000128834201 401793919 /nfs/dbraw/zinc/79/39/19/401793919.db2.gz ZTXMVGOSBOSLOI-OAHLLOKOSA-N 0 0 316.364 2.496 10 30 DEEERN Cc1noc(CCNC(=O)N[C@@H](CCC#N)c2ccccc2)n1 ZINC000132634670 401870756 /nfs/dbraw/zinc/87/07/56/401870756.db2.gz WOARWPCPWYEJRS-AWEZNQCLSA-N 0 0 313.361 2.265 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)CC3(O)CCCCC3)C2)cc1 ZINC000130297777 401826445 /nfs/dbraw/zinc/82/64/45/401826445.db2.gz YXPFMORGQDOFEX-UHFFFAOYSA-N 0 0 314.385 2.233 10 30 DEEERN N#CC1(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000115468792 401828876 /nfs/dbraw/zinc/82/88/76/401828876.db2.gz APDKAMVMUYYBQY-VXGBXAGGSA-N 0 0 306.312 2.257 10 30 DEEERN C=CC[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000116849476 401861244 /nfs/dbraw/zinc/86/12/44/401861244.db2.gz RCIZYAHKNUNIMX-JSGCOSHPSA-N 0 0 306.431 2.362 10 30 DEEERN C=CC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000116858668 401861780 /nfs/dbraw/zinc/86/17/80/401861780.db2.gz STTGKARWNAIPEY-QWRGUYRKSA-N 0 0 308.328 2.399 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000077386325 401813289 /nfs/dbraw/zinc/81/32/89/401813289.db2.gz ZHIWMWMBASZTDM-GJZGRUSLSA-N 0 0 320.414 2.199 10 30 DEEERN C=CCCCN(C)C(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000135087243 401926777 /nfs/dbraw/zinc/92/67/77/401926777.db2.gz QAHHUGNDZHYNRS-UHFFFAOYSA-N 0 0 307.438 2.339 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000119187702 401932063 /nfs/dbraw/zinc/93/20/63/401932063.db2.gz VONCCYXRHYNAGY-ZDUSSCGKSA-N 0 0 311.341 2.317 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)[C@@H](C)COC ZINC000117904713 401886884 /nfs/dbraw/zinc/88/68/84/401886884.db2.gz KZFRHZMFHLNSOL-JTQLQIEISA-N 0 0 315.347 2.067 10 30 DEEERN C=C(C)COCCNC(=O)NCCCc1nc(C(C)C)no1 ZINC000135007110 401924092 /nfs/dbraw/zinc/92/40/92/401924092.db2.gz GRYGWXXWWSIJLV-UHFFFAOYSA-N 0 0 310.398 2.018 10 30 DEEERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C#N)cc2F)o1 ZINC000135691376 401950707 /nfs/dbraw/zinc/95/07/07/401950707.db2.gz ZTXFLPNSWULPEN-SNVBAGLBSA-N 0 0 315.304 2.415 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)c1nc(C)c(C)[nH]c1=O ZINC000120181896 401981067 /nfs/dbraw/zinc/98/10/67/401981067.db2.gz QUJCQKWBQITZFL-UHFFFAOYSA-N 0 0 303.387 2.277 10 30 DEEERN CC1(C)CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000119420560 401949382 /nfs/dbraw/zinc/94/93/82/401949382.db2.gz CYLVZFYCFYSZDA-UHFFFAOYSA-N 0 0 309.347 2.030 10 30 DEEERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C1(C#N)CCCCC1 ZINC000151167408 402020674 /nfs/dbraw/zinc/02/06/74/402020674.db2.gz YPOGEPMTDQOAKA-LBPRGKRZSA-N 0 0 301.394 2.266 10 30 DEEERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1c1ncccc1C#N ZINC000095087662 402025164 /nfs/dbraw/zinc/02/51/64/402025164.db2.gz ZGDZAUAIGMGSIY-ZDUSSCGKSA-N 0 0 302.378 2.447 10 30 DEEERN C=CCOc1cccc(NC(=O)N2CCC[C@@H](NC(C)=O)C2)c1 ZINC000098029861 402134958 /nfs/dbraw/zinc/13/49/58/402134958.db2.gz FRJIMZMNBPTMDF-OAHLLOKOSA-N 0 0 317.389 2.384 10 30 DEEERN COC[C@H](C)C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000103433605 402187954 /nfs/dbraw/zinc/18/79/54/402187954.db2.gz HVZRQTIQFHWHFF-JOYOIKCWSA-N 0 0 311.179 2.412 10 30 DEEERN C=CCOCCCC(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000154027307 402188187 /nfs/dbraw/zinc/18/81/87/402188187.db2.gz WSNIPQVDSIHWKN-CQSZACIVSA-N 0 0 314.389 2.427 10 30 DEEERN Cn1nccc1C1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000124798281 402198125 /nfs/dbraw/zinc/19/81/25/402198125.db2.gz ZFRHJMPMFXWITD-UHFFFAOYSA-N 0 0 324.384 2.342 10 30 DEEERN C=CCNC(=O)NC(=O)CN1CCCC[C@H]1c1ccc(CC)o1 ZINC000124890423 402202171 /nfs/dbraw/zinc/20/21/71/402202171.db2.gz UKPWANHPOMDDQJ-AWEZNQCLSA-N 0 0 319.405 2.381 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1nnnn1C(C)C ZINC000107078464 402225817 /nfs/dbraw/zinc/22/58/17/402225817.db2.gz FETPWPVYKNSPKX-UHFFFAOYSA-N 0 0 303.322 2.470 10 30 DEEERN N#Cc1ccc(C(=O)NCCOc2ccc(F)cc2F)nc1 ZINC000107478805 402234243 /nfs/dbraw/zinc/23/42/43/402234243.db2.gz FLSQHXKUGMPOAL-UHFFFAOYSA-N 0 0 303.268 2.040 10 30 DEEERN COc1ccc(C(=O)CCCC(=O)N[C@H](C#N)C2CC2)cc1 ZINC000108829090 402262118 /nfs/dbraw/zinc/26/21/18/402262118.db2.gz MTZYGDUJUDVFDY-OAHLLOKOSA-N 0 0 300.358 2.467 10 30 DEEERN CO[C@H](C)c1cccc(NCC(=O)N(CCC#N)CCC#N)c1 ZINC000126058466 402262278 /nfs/dbraw/zinc/26/22/78/402262278.db2.gz GBFTYUNPXNODDD-CQSZACIVSA-N 0 0 314.389 2.462 10 30 DEEERN N#C[C@H](NC(=O)c1cccc(OC[C@H]2CCCO2)c1)C1CC1 ZINC000108829530 402262487 /nfs/dbraw/zinc/26/24/87/402262487.db2.gz OXIIORFENZSNPW-CVEARBPZSA-N 0 0 300.358 2.276 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccccc1C(=O)N(CC)CC ZINC000184592262 402280736 /nfs/dbraw/zinc/28/07/36/402280736.db2.gz DZCQLSGQLDPTLT-CYBMUJFWSA-N 0 0 319.405 2.227 10 30 DEEERN CC1(C)CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000184597977 402282086 /nfs/dbraw/zinc/28/20/86/402282086.db2.gz FYNUUXICAXNIPG-UHFFFAOYSA-N 0 0 310.361 2.403 10 30 DEEERN CSC[C@@H](C)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184624407 402285107 /nfs/dbraw/zinc/28/51/07/402285107.db2.gz MQUZJQJNQJFEDK-SNVBAGLBSA-N 0 0 316.390 2.012 10 30 DEEERN CC1(C)CC[C@H](CN2CCN(c3ncccc3C#N)CC2)O1 ZINC000184664721 402289580 /nfs/dbraw/zinc/28/95/80/402289580.db2.gz YJLFUQJCTHUBHC-OAHLLOKOSA-N 0 0 300.406 2.033 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC1(C)CCC1 ZINC000176359517 402302653 /nfs/dbraw/zinc/30/26/53/402302653.db2.gz DPFKGKBJIVVGIO-UHFFFAOYSA-N 0 0 318.348 2.083 10 30 DEEERN COc1cc(NC(=O)c2cc(C#N)cn2C)cc(OC)c1OC ZINC000176414971 402307028 /nfs/dbraw/zinc/30/70/28/402307028.db2.gz YYNKZRUUGOUKLW-UHFFFAOYSA-N 0 0 315.329 2.175 10 30 DEEERN CN(Cc1nc2c(s1)CCCC2)C(=O)C1(C#N)CCOCC1 ZINC000176853767 402343286 /nfs/dbraw/zinc/34/32/86/402343286.db2.gz ZUHQGUJVQUESME-UHFFFAOYSA-N 0 0 319.430 2.301 10 30 DEEERN C=CCn1c(=O)[nH]nc1SCCN1CCCc2ccccc21 ZINC000160965680 402367169 /nfs/dbraw/zinc/36/71/69/402367169.db2.gz SKUDLTVNRVMSKC-UHFFFAOYSA-N 0 0 316.430 2.302 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1csc(Cc2ccccc2)n1 ZINC000185907695 402388226 /nfs/dbraw/zinc/38/82/26/402388226.db2.gz MCTIFBKNURXMCM-CYBMUJFWSA-N 0 0 302.399 2.401 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000185716791 402371468 /nfs/dbraw/zinc/37/14/68/402371468.db2.gz SOILDOVAMKKARI-ZDUSSCGKSA-N 0 0 311.385 2.028 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cncc(-c2ccc(OC)cc2)c1 ZINC000185730329 402372458 /nfs/dbraw/zinc/37/24/58/402372458.db2.gz ATNLEVPBYQUSBI-MRXNPFEDSA-N 0 0 312.369 2.424 10 30 DEEERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1sccc1C#N ZINC000177176198 402378574 /nfs/dbraw/zinc/37/85/74/402378574.db2.gz JZXHSWNTDFXBGJ-ZDUSSCGKSA-N 0 0 300.387 2.430 10 30 DEEERN CCc1nn(C)cc1CNc1cnn(-c2ncccc2C#N)c1 ZINC000185839695 402381741 /nfs/dbraw/zinc/38/17/41/402381741.db2.gz VLXOMMCEMLIYCE-UHFFFAOYSA-N 0 0 307.361 2.047 10 30 DEEERN C=CC[C@@H](CO)NC(=O)COc1ccc(/C=C/C)cc1OC ZINC000185865728 402384282 /nfs/dbraw/zinc/38/42/82/402384282.db2.gz ZRQXEOIARTVBMY-YVZNUBBCSA-N 0 0 305.374 2.160 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000185920170 402389110 /nfs/dbraw/zinc/38/91/10/402389110.db2.gz YLHYXVTUXLMKMB-ZETCQYMHSA-N 0 0 308.687 2.421 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H](c2nncn2C)C1 ZINC000161394840 402385509 /nfs/dbraw/zinc/38/55/09/402385509.db2.gz JGGQTFCCCUVDTC-CQSZACIVSA-N 0 0 309.373 2.015 10 30 DEEERN O=C1[C@H]([n+]2cccc([O-])c2)CCN1c1ccc(Cl)c(F)c1 ZINC000160083255 402336014 /nfs/dbraw/zinc/33/60/14/402336014.db2.gz LXSKBXYFSPJAEO-CQSZACIVSA-O 0 0 307.732 2.450 10 30 DEEERN N#CCSCC(=O)NCc1nc2ccccc2n1C1CC1 ZINC000186031905 402397491 /nfs/dbraw/zinc/39/74/91/402397491.db2.gz XOKHQIBXMCMXJI-UHFFFAOYSA-N 0 0 300.387 2.244 10 30 DEEERN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCCC1(C)C ZINC000161862007 402401841 /nfs/dbraw/zinc/40/18/41/402401841.db2.gz ZPHRBWARRTWBEE-LBPRGKRZSA-N 0 0 315.373 2.317 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N(C)c1ccc(N2CCOCC2)nc1 ZINC000186144444 402404899 /nfs/dbraw/zinc/40/48/99/402404899.db2.gz FTPYMRMTTRKPAJ-CQSZACIVSA-N 0 0 303.406 2.483 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1 ZINC000186322531 402421261 /nfs/dbraw/zinc/42/12/61/402421261.db2.gz YAMMNKHEEFDUEZ-CVEARBPZSA-N 0 0 317.433 2.200 10 30 DEEERN Cn1nccc1CCC(=O)Nc1ccnn1-c1ccc(C#N)cc1 ZINC000186332706 402422127 /nfs/dbraw/zinc/42/21/27/402422127.db2.gz VQDRPSLGUWWVRZ-UHFFFAOYSA-N 0 0 320.356 2.049 10 30 DEEERN N#CC1(NC(=O)c2ccc3c(c2O)CCCC3)CCOCC1 ZINC000186406076 402429226 /nfs/dbraw/zinc/42/92/26/402429226.db2.gz MVQFLMNHKVNFDT-UHFFFAOYSA-N 0 0 300.358 2.074 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000186648061 402451334 /nfs/dbraw/zinc/45/13/34/402451334.db2.gz UVRDHRYMZPSTTI-ZIAGYGMSSA-N 0 0 321.396 2.031 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccccc1C[S@@](C)=O ZINC000185934293 402390887 /nfs/dbraw/zinc/39/08/87/402390887.db2.gz PASHKBBSOGUJOY-OAQYLSRUSA-N 0 0 301.371 2.028 10 30 DEEERN N#Cc1ccc(OCCCN2c3ccccc3C[C@H]2C(N)=O)cc1 ZINC000170644163 402510007 /nfs/dbraw/zinc/51/00/07/402510007.db2.gz CKWYQGCAZYKRCO-SFHVURJKSA-N 0 0 321.380 2.244 10 30 DEEERN N#C[C@@H]1CN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)CCO1 ZINC000186689877 402455972 /nfs/dbraw/zinc/45/59/72/402455972.db2.gz RIDBWCLSYNAMBB-CYBMUJFWSA-N 0 0 324.302 2.488 10 30 DEEERN C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000186711014 402458514 /nfs/dbraw/zinc/45/85/14/402458514.db2.gz URMIOTLDWUECAF-HIFRSBDPSA-N 0 0 308.397 2.250 10 30 DEEERN Cc1cnccc1CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000186886053 402469111 /nfs/dbraw/zinc/46/91/11/402469111.db2.gz MUUSJOTTZGLWNX-UHFFFAOYSA-N 0 0 310.357 2.140 10 30 DEEERN C[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000165757454 402478537 /nfs/dbraw/zinc/47/85/37/402478537.db2.gz DACYIOSPYYSSTP-JTQLQIEISA-N 0 0 319.411 2.323 10 30 DEEERN Cn1ccnc1C[C@H]1CCCN(C(=O)c2cc(C#N)cs2)C1 ZINC000178286083 402479643 /nfs/dbraw/zinc/47/96/43/402479643.db2.gz DPGRMFOKBXXGPG-GFCCVEGCSA-N 0 0 314.414 2.448 10 30 DEEERN Cc1ccc2c(c1)[C@H](NS(=O)(=O)CC1(C#N)CC1)[C@@H](C)C2 ZINC000166376996 402484654 /nfs/dbraw/zinc/48/46/54/402484654.db2.gz OPYGYBVWXHSNAA-SWLSCSKDSA-N 0 0 304.415 2.452 10 30 DEEERN C[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)Cn1ccnc1 ZINC000187189826 402486981 /nfs/dbraw/zinc/48/69/81/402486981.db2.gz RQJATLGIRMEOTE-CQSZACIVSA-N 0 0 308.385 2.239 10 30 DEEERN C[C@@H](NC(=O)c1cccc(CC#N)c1)c1nnc2n1CCCC2 ZINC000178340492 402487012 /nfs/dbraw/zinc/48/70/12/402487012.db2.gz MZQKWEOQLRDQAY-GFCCVEGCSA-N 0 0 309.373 2.171 10 30 DEEERN C#CCSCCNC(=O)N1CCC(Nc2nccs2)CC1 ZINC000187226137 402488837 /nfs/dbraw/zinc/48/88/37/402488837.db2.gz VOFAPKINNVQXJB-UHFFFAOYSA-N 0 0 324.475 2.095 10 30 DEEERN CNC(=O)[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)C(C)C ZINC000178818214 402543346 /nfs/dbraw/zinc/54/33/46/402543346.db2.gz KNUXDBNTUPPOKL-CABCVRRESA-N 0 0 316.405 2.101 10 30 DEEERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(c2ncc(C#N)cc2Cl)C1 ZINC000190085215 402574756 /nfs/dbraw/zinc/57/47/56/402574756.db2.gz IBFOOQQJNOQHFB-PWSUYJOCSA-N 0 0 319.752 2.265 10 30 DEEERN Cc1sc(NC(=O)CN2C[C@@H](C)OC[C@H]2C)c(C#N)c1C ZINC000246306583 402524025 /nfs/dbraw/zinc/52/40/25/402524025.db2.gz ZCCLAWJZOAOHIJ-NXEZZACHSA-N 0 0 307.419 2.284 10 30 DEEERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(C#N)s2)C1 ZINC000190150027 402579708 /nfs/dbraw/zinc/57/97/08/402579708.db2.gz XKLAFSPKJIJJSQ-GWCFXTLKSA-N 0 0 304.375 2.273 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000248640048 402600477 /nfs/dbraw/zinc/60/04/77/402600477.db2.gz WZVJNHIPSQYYHX-BFHYXJOUSA-N 0 0 301.452 2.403 10 30 DEEERN C[C@H](CC#N)NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000171768561 402620175 /nfs/dbraw/zinc/62/01/75/402620175.db2.gz SZKRYSFKWYAGID-SSDOTTSWSA-N 0 0 307.151 2.357 10 30 DEEERN CO[C@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000191055860 402639544 /nfs/dbraw/zinc/63/95/44/402639544.db2.gz KLFXYYJYMIAPBD-QWRGUYRKSA-N 0 0 314.794 2.057 10 30 DEEERN C=C[C@@H](CC(=O)N1CCNC[C@H]1c1cnn(C)c1)c1ccccc1 ZINC000181448194 402646104 /nfs/dbraw/zinc/64/61/04/402646104.db2.gz NSQIVJLGTOMHTO-YJBOKZPZSA-N 0 0 324.428 2.253 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C1CCN(Cc2nccn2C)CC1 ZINC000182624626 402705124 /nfs/dbraw/zinc/70/51/24/402705124.db2.gz OSUDHFKXIKMSRM-HNNXBMFYSA-N 0 0 318.465 2.493 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000173908730 402718492 /nfs/dbraw/zinc/71/84/92/402718492.db2.gz VQGNOQXDDPTIPZ-UHFFFAOYSA-N 0 0 311.297 2.275 10 30 DEEERN C=C(C)CN(C)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000182261684 402677428 /nfs/dbraw/zinc/67/74/28/402677428.db2.gz UFEYGWCMAOWTRJ-CYBMUJFWSA-N 0 0 308.403 2.123 10 30 DEEERN CC1(C)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C[C@@H]21 ZINC000173563287 402703080 /nfs/dbraw/zinc/70/30/80/402703080.db2.gz CYEUXQSANXGVJV-TXEJJXNPSA-N 0 0 310.806 2.488 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000182900480 402725823 /nfs/dbraw/zinc/72/58/23/402725823.db2.gz SNWYLXZMNSJPOB-VIFPVBQESA-N 0 0 314.769 2.416 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCOc1cccc2ccccc21 ZINC000182988109 402731028 /nfs/dbraw/zinc/73/10/28/402731028.db2.gz XDXGRTQQJPDHJR-OAHLLOKOSA-N 0 0 314.385 2.455 10 30 DEEERN COC(=O)c1cccc2c1CCCN2C(=O)c1ccnc(C#N)c1 ZINC000192770577 402749284 /nfs/dbraw/zinc/74/92/84/402749284.db2.gz NJMMMNDMFGVWLT-UHFFFAOYSA-N 0 0 321.336 2.333 10 30 DEEERN CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000192974541 402759356 /nfs/dbraw/zinc/75/93/56/402759356.db2.gz BAGUHRNYCUFGPV-NWDGAFQWSA-N 0 0 306.362 2.089 10 30 DEEERN COC(=O)CCCCCNC(=O)NCc1cc(C#N)ccc1F ZINC000174028081 402724504 /nfs/dbraw/zinc/72/45/04/402724504.db2.gz UWOMBLPVZAUCIY-UHFFFAOYSA-N 0 0 321.352 2.230 10 30 DEEERN Cc1nc(CC(=O)Nc2cnn(-c3ncccc3C#N)c2)cs1 ZINC000183694637 402789998 /nfs/dbraw/zinc/78/99/98/402789998.db2.gz KHHPUWBVJLKZBK-UHFFFAOYSA-N 0 0 324.369 2.085 10 30 DEEERN CC(C)Cn1ccnc1CNC(=O)NCc1cccc(C#N)c1 ZINC000175439882 402807201 /nfs/dbraw/zinc/80/72/01/402807201.db2.gz DVHZBOHPXVDQCY-UHFFFAOYSA-N 0 0 311.389 2.410 10 30 DEEERN N#CC1(C(=O)N2CCN(c3cccs3)C(=O)C2)CCCCC1 ZINC000184108111 402819000 /nfs/dbraw/zinc/81/90/00/402819000.db2.gz FHCHAXPEUWOJBD-UHFFFAOYSA-N 0 0 317.414 2.397 10 30 DEEERN CCCCN1CCOC[C@H]1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000184240658 402829607 /nfs/dbraw/zinc/82/96/07/402829607.db2.gz UXJJKCIWWSXUOP-KRWDZBQOSA-N 0 0 315.417 2.018 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000183659157 402786542 /nfs/dbraw/zinc/78/65/42/402786542.db2.gz SCJGHSAXHXWPTI-DGCLKSJQSA-N 0 0 307.350 2.200 10 30 DEEERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc(C#N)cn1C ZINC000176012530 402847795 /nfs/dbraw/zinc/84/77/95/402847795.db2.gz XLGUXKQVORYSGV-CQSZACIVSA-N 0 0 311.389 2.224 10 30 DEEERN C=CCN(CCc1ccco1)S(=O)(=O)Cc1cc(C)on1 ZINC000272461990 402940125 /nfs/dbraw/zinc/94/01/25/402940125.db2.gz RXJQRUPIIBDLIH-UHFFFAOYSA-N 0 0 310.375 2.137 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)c1oc(C2CC2)nc1C ZINC000273483523 403008452 /nfs/dbraw/zinc/00/84/52/403008452.db2.gz KUSFCAHWVOZXFX-UHFFFAOYSA-N 0 0 323.352 2.476 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1nc(SCCC)ns1 ZINC000273500224 403009866 /nfs/dbraw/zinc/00/98/66/403009866.db2.gz YPESEDIDJOQCCU-MRVPVSSYSA-N 0 0 302.425 2.099 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000273568003 403016325 /nfs/dbraw/zinc/01/63/25/403016325.db2.gz KBRPHUCBLFTWNK-NSHDSACASA-N 0 0 303.280 2.295 10 30 DEEERN C=CCN1CC[C@H](Nc2ccccc2C(=O)NC(C)C)C1=O ZINC000281322048 403064785 /nfs/dbraw/zinc/06/47/85/403064785.db2.gz VEDZSYZZQOGMPD-HNNXBMFYSA-N 0 0 301.390 2.024 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N1CC[C@H](C)[C@H](OC)C1 ZINC000275792528 403123946 /nfs/dbraw/zinc/12/39/46/403123946.db2.gz JZERIUIWSZGOFK-WMLDXEAASA-N 0 0 316.401 2.265 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(CC)CC1 ZINC000282192687 403131113 /nfs/dbraw/zinc/13/11/13/403131113.db2.gz GKKUBZULHURZGI-AWEZNQCLSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCn1c(Cc2ccccn2)nnc1N1CCS[C@H](C)C1 ZINC000282578983 403156743 /nfs/dbraw/zinc/15/67/43/403156743.db2.gz LBHFBRZOMLKTCF-CYBMUJFWSA-N 0 0 315.446 2.392 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC000283606353 403209493 /nfs/dbraw/zinc/20/94/93/403209493.db2.gz MQRVJBXUVSOMLM-QGZVFWFLSA-N 0 0 319.453 2.145 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N(C)C[C@@H](C)CC ZINC000283254503 403184354 /nfs/dbraw/zinc/18/43/54/403184354.db2.gz LSSRSJAQGWZNCL-UONOGXRCSA-N 0 0 308.426 2.424 10 30 DEEERN N#Cc1cc2c(nc1N1CC[C@@](O)(C(F)(F)F)C1)CCCC2 ZINC000271021164 403254653 /nfs/dbraw/zinc/25/46/53/403254653.db2.gz ZGTAEMWIZCOAEJ-AWEZNQCLSA-N 0 0 311.307 2.336 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccc(COCC)cc1 ZINC000284619717 403270450 /nfs/dbraw/zinc/27/04/50/403270450.db2.gz QPBDQCBYQZEUOK-UHFFFAOYSA-N 0 0 318.417 2.264 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)Cn1ccnc1 ZINC000284953752 403273746 /nfs/dbraw/zinc/27/37/46/403273746.db2.gz DZTLNKNGVGJLJU-RDJZCZTQSA-N 0 0 310.401 2.205 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)CCC(F)(F)F ZINC000285275218 403280174 /nfs/dbraw/zinc/28/01/74/403280174.db2.gz IYKIRXQITCGFQV-ZDUSSCGKSA-N 0 0 319.348 2.493 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCCc1ccc(OC)cc1 ZINC000285483283 403308129 /nfs/dbraw/zinc/30/81/29/403308129.db2.gz MMJAZBGYYBPXNZ-UHFFFAOYSA-N 0 0 318.417 2.169 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CCC[C@H]1c1nc2c(n1C)CCCC2 ZINC000286003903 403429026 /nfs/dbraw/zinc/42/90/26/403429026.db2.gz GLTCDARYGYDHBL-MAUKXSAKSA-N 0 0 317.433 2.290 10 30 DEEERN C=CCCCS(=O)(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000293109747 403389655 /nfs/dbraw/zinc/38/96/55/403389655.db2.gz UWCGORYMLKHNHW-ZDUSSCGKSA-N 0 0 320.418 2.214 10 30 DEEERN C#CCN(CC#C)C(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000293383038 403457477 /nfs/dbraw/zinc/45/74/77/403457477.db2.gz INNWANQDDXMAFV-HNNXBMFYSA-N 0 0 318.417 2.261 10 30 DEEERN C=C(CNC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1 ZINC000345770061 403477042 /nfs/dbraw/zinc/47/70/42/403477042.db2.gz GUHHLSIXQDBLMU-UHFFFAOYSA-N 0 0 319.364 2.226 10 30 DEEERN C=CCN(C(=O)CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000339921985 403493854 /nfs/dbraw/zinc/49/38/54/403493854.db2.gz HIJFUYSDILOJFR-INIZCTEOSA-N 0 0 321.442 2.129 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1CCOCC1 ZINC000286519640 403533397 /nfs/dbraw/zinc/53/33/97/403533397.db2.gz BIRUQMUOEOSXRJ-KRWDZBQOSA-N 0 0 300.402 2.347 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCc1cnn(C)c1C ZINC000286790157 403546026 /nfs/dbraw/zinc/54/60/26/403546026.db2.gz RSXNBAKBNJFBDO-QGZVFWFLSA-N 0 0 310.401 2.162 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](CC(=O)OCC)c1ccccc1 ZINC000287170133 403556088 /nfs/dbraw/zinc/55/60/88/403556088.db2.gz JMDITPGLGBOHPA-QGZVFWFLSA-N 0 0 311.381 2.460 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCCO1 ZINC000286939621 403549601 /nfs/dbraw/zinc/54/96/01/403549601.db2.gz HIWFBDSYNOAMPM-DLBZAZTESA-N 0 0 300.402 2.489 10 30 DEEERN C=CCCOCCNC(=O)Nc1cc(C)nn1C1CCOCC1 ZINC000339923128 403494110 /nfs/dbraw/zinc/49/41/10/403494110.db2.gz TZBHISHWFNRBRY-UHFFFAOYSA-N 0 0 322.409 2.257 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)OC)n1C ZINC000293567539 403506838 /nfs/dbraw/zinc/50/68/38/403506838.db2.gz GSFQMWFIOXRCCD-OAHLLOKOSA-N 0 0 324.380 2.176 10 30 DEEERN C=CCCOCCNC(=O)N1CCc2cc(OC)c(F)cc2C1 ZINC000346811256 403603254 /nfs/dbraw/zinc/60/32/54/403603254.db2.gz QMNKQHBKWBWSDP-UHFFFAOYSA-N 0 0 322.380 2.495 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCc1ccc2[nH]ccc2c1 ZINC000287280168 403566231 /nfs/dbraw/zinc/56/62/31/403566231.db2.gz RMDZNJSGMBXIGU-UHFFFAOYSA-N 0 0 313.401 2.251 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)Cc1nc([C@H](C)OCC)no1 ZINC000346083979 403572708 /nfs/dbraw/zinc/57/27/08/403572708.db2.gz GKMDYODAYQTPHM-OBJOEFQTSA-N 0 0 323.393 2.107 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)Cc1nc([C@@H](C)OCC)no1 ZINC000346083978 403573270 /nfs/dbraw/zinc/57/32/70/403573270.db2.gz GKMDYODAYQTPHM-DYEKYZERSA-N 0 0 323.393 2.107 10 30 DEEERN CCNC(=O)C1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000301359767 403619596 /nfs/dbraw/zinc/61/95/96/403619596.db2.gz PVIRZZMFFVCJKC-UHFFFAOYSA-N 0 0 308.385 2.459 10 30 DEEERN C=CCCCN(C)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000347216330 403624751 /nfs/dbraw/zinc/62/47/51/403624751.db2.gz MOWSONLJAGMLHG-HUUCEWRRSA-N 0 0 311.470 2.482 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000287761908 403661950 /nfs/dbraw/zinc/66/19/50/403661950.db2.gz XLUMYWJJNKPPFY-CQSZACIVSA-N 0 0 313.397 2.414 10 30 DEEERN C#CCNC(=O)CNc1ccnc2cc(Br)ccc21 ZINC000302698221 403712859 /nfs/dbraw/zinc/71/28/59/403712859.db2.gz ANNBUPYXPCDTHY-UHFFFAOYSA-N 0 0 318.174 2.159 10 30 DEEERN N#Cc1ccc(N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cn1 ZINC000302720118 403715342 /nfs/dbraw/zinc/71/53/42/403715342.db2.gz KXXHAWVPQNNCKS-MRXNPFEDSA-N 0 0 310.332 2.305 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CC[C@H](O)C1 ZINC000288126629 403729871 /nfs/dbraw/zinc/72/98/71/403729871.db2.gz KKCDCHFOGYSAKK-BBWFWOEESA-N 0 0 300.402 2.081 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](COC)c1ccc(F)c(F)c1 ZINC000288237557 403742743 /nfs/dbraw/zinc/74/27/43/403742743.db2.gz AWGMGTHCGYJYIF-MRXNPFEDSA-N 0 0 305.324 2.431 10 30 DEEERN C#CCO[C@H](C)C(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000295098438 403759106 /nfs/dbraw/zinc/75/91/06/403759106.db2.gz XAMDZJBTZWQTDB-XJKCOSOUSA-N 0 0 305.349 2.152 10 30 DEEERN C=CCN(C)C(=O)C(=O)N(C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000410758432 403831904 /nfs/dbraw/zinc/83/19/04/403831904.db2.gz DBNZNBLDNWUNMY-GPANFISMSA-N 0 0 322.449 2.217 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NCCc1cnc2c(Cl)cnn2c1 ZINC000295318664 403852573 /nfs/dbraw/zinc/85/25/73/403852573.db2.gz IGUUOAVZEURSCW-NSHDSACASA-N 0 0 322.796 2.023 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCOc1ccc(C#N)cc1 ZINC000362525745 403962434 /nfs/dbraw/zinc/96/24/34/403962434.db2.gz ODJJVXPWWISBGL-HZPDHXFCSA-N 0 0 300.358 2.034 10 30 DEEERN C=CCC[C@H](CO)NC(=O)C(=O)Nc1c(C)c(C)ccc1Cl ZINC000411589451 403905209 /nfs/dbraw/zinc/90/52/09/403905209.db2.gz NUJQUFGTDDPMOI-GFCCVEGCSA-N 0 0 324.808 2.339 10 30 DEEERN C#CCCN1CCN([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000362019190 403917828 /nfs/dbraw/zinc/91/78/28/403917828.db2.gz DDZYGLLTIVKUPS-HNNXBMFYSA-N 0 0 310.401 2.439 10 30 DEEERN C=CCCO[C@H](C)C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000362025072 403917943 /nfs/dbraw/zinc/91/79/43/403917943.db2.gz KMOSNJSJFYUXQT-ZIAGYGMSSA-N 0 0 305.374 2.314 10 30 DEEERN CCOc1ccc(C(=O)N[C@@]2(C#N)CC2(C)C)cc1[N+](=O)[O-] ZINC000362183353 403933901 /nfs/dbraw/zinc/93/39/01/403933901.db2.gz GCWSAUSGCSHLML-OAHLLOKOSA-N 0 0 303.318 2.416 10 30 DEEERN C=CCOc1ccc(CNS(=O)(=O)CC(C)(C)OC)cc1 ZINC000289751399 403996645 /nfs/dbraw/zinc/99/66/45/403996645.db2.gz GKYCRJFDBYHCBM-UHFFFAOYSA-N 0 0 313.419 2.096 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000362604190 403973334 /nfs/dbraw/zinc/97/33/34/403973334.db2.gz QVHDIJJGTAWGNJ-YOEHRIQHSA-N 0 0 316.401 2.459 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000348821423 404102483 /nfs/dbraw/zinc/10/24/83/404102483.db2.gz WBBWDZVFKISDMK-OAGGEKHMSA-N 0 0 322.380 2.282 10 30 DEEERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2c[nH]c(C#N)c2)cn1 ZINC000328619287 404115751 /nfs/dbraw/zinc/11/57/51/404115751.db2.gz FQSVQEXHCDFHAU-LSDHHAIUSA-N 0 0 313.361 2.328 10 30 DEEERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)Cc2ccn(C)n2)cn1 ZINC000328629300 404119635 /nfs/dbraw/zinc/11/96/35/404119635.db2.gz OPUOYZPBNAUKPT-GOEBONIOSA-N 0 0 317.393 2.056 10 30 DEEERN CCC1CCC(NC(=O)N2CCc3c(ncn(C)c3=O)C2)CC1 ZINC000328630880 404120626 /nfs/dbraw/zinc/12/06/26/404120626.db2.gz QJMGUAILHDLFSS-UHFFFAOYSA-N 0 0 318.421 2.021 10 30 DEEERN C[C@@H](OCC1CC1)C(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000328643332 404122269 /nfs/dbraw/zinc/12/22/69/404122269.db2.gz YTLUIDBPKKOZJK-BYCMXARLSA-N 0 0 307.394 2.412 10 30 DEEERN C[C@@H]1CN(C(=O)NCc2ccc(C3CC3)cc2)CC(=O)N1C ZINC000328671188 404129092 /nfs/dbraw/zinc/12/90/92/404129092.db2.gz NHWYWEAUCKEFBC-GFCCVEGCSA-N 0 0 301.390 2.141 10 30 DEEERN C=CC[C@@H](CO)NCc1nc2ccccn2c1Br ZINC000290380830 404146052 /nfs/dbraw/zinc/14/60/52/404146052.db2.gz NXMFAZJFQTVTDJ-JTQLQIEISA-N 0 0 310.195 2.123 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCOCC1 ZINC000328915726 404173364 /nfs/dbraw/zinc/17/33/64/404173364.db2.gz ABJOMOBVRJOYPM-VNHYZAJKSA-N 0 0 307.394 2.271 10 30 DEEERN CS[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H]2Cn2ccnn2)C1 ZINC000329077312 404223043 /nfs/dbraw/zinc/22/30/43/404223043.db2.gz CMMHXGJCCDJLIM-HZSPNIEDSA-N 0 0 323.466 2.331 10 30 DEEERN C=CCNC(=O)CN1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000349764852 404190938 /nfs/dbraw/zinc/19/09/38/404190938.db2.gz PVOSEBIPJGBTTQ-UHFFFAOYSA-N 0 0 323.440 2.260 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)NCCc1ncc(CC)s1 ZINC000352236766 404236600 /nfs/dbraw/zinc/23/66/00/404236600.db2.gz FSKBFCYZSBJYDR-GFCCVEGCSA-N 0 0 323.462 2.225 10 30 DEEERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCCOCC1 ZINC000329239080 404275775 /nfs/dbraw/zinc/27/57/75/404275775.db2.gz QBMSONSNPSNGRC-RWMBFGLXSA-N 0 0 314.451 2.460 10 30 DEEERN C#CCCNC(=O)N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000363995538 404278106 /nfs/dbraw/zinc/27/81/06/404278106.db2.gz DANXZVOWSGHPOW-HNNXBMFYSA-N 0 0 316.792 2.485 10 30 DEEERN CCC1(CC)CCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000329251965 404279597 /nfs/dbraw/zinc/27/95/97/404279597.db2.gz YGEJVHSULXCKHS-UONOGXRCSA-N 0 0 321.425 2.034 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]cc3C2)C[C@H]1c1ccccc1 ZINC000329448402 404340965 /nfs/dbraw/zinc/34/09/65/404340965.db2.gz LDCNHFGYHNRRJJ-OIISXLGYSA-N 0 0 320.396 2.280 10 30 DEEERN C#CCCOc1ccc(C(=O)N2CCc3cc[nH]c(=O)c3C2)cc1 ZINC000296851451 404342278 /nfs/dbraw/zinc/34/22/78/404342278.db2.gz TVZXTWZXVINYQM-UHFFFAOYSA-N 0 0 322.364 2.388 10 30 DEEERN CC(=O)NC[C@@H]1CCCN(C(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000329315989 404300224 /nfs/dbraw/zinc/30/02/24/404300224.db2.gz BEBMSPCNWGUJPC-KBPBESRZSA-N 0 0 309.410 2.348 10 30 DEEERN Cn1cc(CNC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)c(C(F)(F)F)n1 ZINC000329333622 404306374 /nfs/dbraw/zinc/30/63/74/404306374.db2.gz KHNLSIZRGLHFLE-AEJSXWLSSA-N 0 0 303.284 2.320 10 30 DEEERN C[C@@H]1C[C@@H](C)CN(C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)C1 ZINC000329698881 404427837 /nfs/dbraw/zinc/42/78/37/404427837.db2.gz CVHACAICUNQBOT-HGTKMLMNSA-N 0 0 320.437 2.390 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000355964684 404381366 /nfs/dbraw/zinc/38/13/66/404381366.db2.gz QQCVAZLJNANYKL-CYBMUJFWSA-N 0 0 305.426 2.429 10 30 DEEERN CC(C)(C)C(=O)NCc1nc([C@@H]2CN3CCC[C@@]3(C)CO2)no1 ZINC000329615126 404394801 /nfs/dbraw/zinc/39/48/01/404394801.db2.gz SDNALAKYOAYCGO-ZBEGNZNMSA-N 0 0 322.409 2.498 10 30 DEEERN O=C(Nc1cccc(N2CCNC2=O)c1)N1C[C@H]2CCC[C@H]21 ZINC000329666638 404414808 /nfs/dbraw/zinc/41/48/08/404414808.db2.gz LALOMGKNKRAZSK-BXUZGUMPSA-N 0 0 300.362 2.450 10 30 DEEERN C#CCOc1ccc(CNC(=O)c2cnc(C3CC3)nc2)cc1 ZINC000297046916 404425126 /nfs/dbraw/zinc/42/51/26/404425126.db2.gz ORNXDAYCLYTMRT-UHFFFAOYSA-N 0 0 307.353 2.296 10 30 DEEERN C=CCn1c(N(CCOC)[C@H]2CCOC2)nnc1C(C)(C)C ZINC000350742273 404457685 /nfs/dbraw/zinc/45/76/85/404457685.db2.gz VLSAYTPWGDXXPB-ZDUSSCGKSA-N 0 0 308.426 2.003 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCCOC1CCCC1 ZINC000330204898 404586137 /nfs/dbraw/zinc/58/61/37/404586137.db2.gz CZSLZQHJCMEBMM-UKRRQHHQSA-N 0 0 307.394 2.413 10 30 DEEERN C[C@@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C[N@@H+]1C1CC1 ZINC000330217403 404589481 /nfs/dbraw/zinc/58/94/81/404589481.db2.gz NWGDYLRIVXNFFT-FAXLKDOZSA-N 0 0 318.421 2.079 10 30 DEEERN C=CCOc1cccnc1-c1nc(COC[C@@H]2CCOC2)no1 ZINC000351408628 404578858 /nfs/dbraw/zinc/57/88/58/404578858.db2.gz LTPAJBIJBGTCCD-GFCCVEGCSA-N 0 0 317.345 2.250 10 30 DEEERN C[C@H]1OCC[C@H]1NC(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000330191125 404580250 /nfs/dbraw/zinc/58/02/50/404580250.db2.gz MVTTUJIMUQKZEW-FRRDWIJNSA-N 0 0 320.437 2.176 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)CCOc1ccccc1F ZINC000297878126 404649324 /nfs/dbraw/zinc/64/93/24/404649324.db2.gz QIJIKGOIUCEYBR-UHFFFAOYSA-N 0 0 322.380 2.088 10 30 DEEERN C=C(CC)CNC(=O)c1nc2ccc(Br)cn2n1 ZINC000414399300 404613934 /nfs/dbraw/zinc/61/39/34/404613934.db2.gz KWKMBZJSTVYRRU-UHFFFAOYSA-N 0 0 309.167 2.188 10 30 DEEERN C=C[C@@H](C)NC(=O)C(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000353130339 404750240 /nfs/dbraw/zinc/75/02/40/404750240.db2.gz UBHCCBDNSILPEM-LLVKDONJSA-N 0 0 320.389 2.456 10 30 DEEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1CC(C)(OC)C1 ZINC000358952920 404780057 /nfs/dbraw/zinc/78/00/57/404780057.db2.gz MFPXXSYJXIAGQB-UHFFFAOYSA-N 0 0 316.405 2.458 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cc(C(=O)OC)ccn1 ZINC000414982427 404781156 /nfs/dbraw/zinc/78/11/56/404781156.db2.gz AKJQRUORZBOPBC-UHFFFAOYSA-N 0 0 302.252 2.059 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC000359102433 404783277 /nfs/dbraw/zinc/78/32/77/404783277.db2.gz LRPSUYXVKYSJAJ-ZDUSSCGKSA-N 0 0 305.426 2.035 10 30 DEEERN C=CCN(CCOC)C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000359221255 404787298 /nfs/dbraw/zinc/78/72/98/404787298.db2.gz OHVGCWAGYZXVOH-AWEZNQCLSA-N 0 0 320.389 2.061 10 30 DEEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1nc(C2CC2)c[nH]1 ZINC000359379214 404792214 /nfs/dbraw/zinc/79/22/14/404792214.db2.gz KKWMQNIVFXRVQS-INIZCTEOSA-N 0 0 318.377 2.487 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCc1ccc(F)cc1Cl ZINC000359721855 404803407 /nfs/dbraw/zinc/80/34/07/404803407.db2.gz QRVPYGJLVWUCCS-LBPRGKRZSA-N 0 0 300.761 2.258 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000366674837 404829936 /nfs/dbraw/zinc/82/99/36/404829936.db2.gz AJFDEJYWMHAZIZ-XLMAVXFVSA-N 0 0 322.449 2.304 10 30 DEEERN CN1CCN(c2nccnc2C#N)C[C@H]1c1ccccc1Cl ZINC000377138014 404833738 /nfs/dbraw/zinc/83/37/38/404833738.db2.gz CBHQUHHFZKYCTK-HNNXBMFYSA-N 0 0 313.792 2.495 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000366715099 404835650 /nfs/dbraw/zinc/83/56/50/404835650.db2.gz ZHBBCNBBMKTYJP-GOEBONIOSA-N 0 0 318.421 2.280 10 30 DEEERN C#C[C@@H](NC(=O)N1CCC(c2nccc(C)n2)CC1)C(C)C ZINC000366994335 404892542 /nfs/dbraw/zinc/89/25/42/404892542.db2.gz BMWNYJMJUBNRMQ-OAHLLOKOSA-N 0 0 300.406 2.332 10 30 DEEERN C=CCc1ccc(OCC(=O)N(CC)[C@H]2CCOC2)c(OC)c1 ZINC000361189943 404965310 /nfs/dbraw/zinc/96/53/10/404965310.db2.gz NYSGWIIUYIADPG-HNNXBMFYSA-N 0 0 319.401 2.440 10 30 DEEERN C=CC[C@H](CO)CNC(=O)Nc1ccc(F)c(C(=O)OC)c1C ZINC000353860249 404970087 /nfs/dbraw/zinc/97/00/87/404970087.db2.gz MGSMJOWPJNFBOZ-NSHDSACASA-N 0 0 324.352 2.227 10 30 DEEERN C=CCCC[C@H](C)NC(=O)Nc1ncc(C(=O)OCC)n1C ZINC000417138756 405046087 /nfs/dbraw/zinc/04/60/87/405046087.db2.gz OXPJFQNJTXOIJR-NSHDSACASA-N 0 0 308.382 2.463 10 30 DEEERN C=CCC1(NS(=O)(=O)c2cccc(C(N)=O)c2)CCCCC1 ZINC000451940388 405102434 /nfs/dbraw/zinc/10/24/34/405102434.db2.gz LKJSUOLLFNMHRO-UHFFFAOYSA-N 0 0 322.430 2.343 10 30 DEEERN C=CCCn1cc(C(=O)N(C)CCOc2ccc(C)cc2)nn1 ZINC000424557427 405115369 /nfs/dbraw/zinc/11/53/69/405115369.db2.gz IGLDAPSBZBDSBG-UHFFFAOYSA-N 0 0 314.389 2.314 10 30 DEEERN C=CCC1(C(=O)Nc2ccc3c(c2)OCC(=O)N3)CCOCC1 ZINC000424594518 405126092 /nfs/dbraw/zinc/12/60/92/405126092.db2.gz LUBRSBZUTSSRJE-UHFFFAOYSA-N 0 0 316.357 2.329 10 30 DEEERN C=CCCn1cc(C(=O)N(CCC)C[C@@H]2CCCCO2)nn1 ZINC000424648703 405138433 /nfs/dbraw/zinc/13/84/33/405138433.db2.gz MBBAENQSVOLLBO-AWEZNQCLSA-N 0 0 306.410 2.276 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)[C@@H]2c3ccccc3CCN2C1=O ZINC000424630739 405132744 /nfs/dbraw/zinc/13/27/44/405132744.db2.gz ZNKCKOMQQDPKLV-BPUTZDHNSA-N 0 0 312.369 2.139 10 30 DEEERN C=CCC1(C(=O)N2CCC3(C[C@@H]3C(=O)OC)CC2)CCOCC1 ZINC000424660568 405141906 /nfs/dbraw/zinc/14/19/06/405141906.db2.gz CYHLCWJWOIRFIC-CQSZACIVSA-N 0 0 321.417 2.161 10 30 DEEERN C=CCC1(C(=O)N2CCC3(C[C@H]3C(=O)OC)CC2)CCOCC1 ZINC000424660565 405142091 /nfs/dbraw/zinc/14/20/91/405142091.db2.gz CYHLCWJWOIRFIC-AWEZNQCLSA-N 0 0 321.417 2.161 10 30 DEEERN C#CCCCS(=O)(=O)N1CCCCC[C@@H]1c1noc(C)n1 ZINC000367778776 405151401 /nfs/dbraw/zinc/15/14/01/405151401.db2.gz WXJUIFSJAUXVKD-CYBMUJFWSA-N 0 0 311.407 2.038 10 30 DEEERN C#CCCCS(=O)(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000367782527 405151842 /nfs/dbraw/zinc/15/18/42/405151842.db2.gz PCNSVEAYFWPKGK-CQSZACIVSA-N 0 0 317.414 2.266 10 30 DEEERN C=CCC1(C(=O)N2CCS[C@H]3COCC[C@H]32)CCOCC1 ZINC000424732446 405162413 /nfs/dbraw/zinc/16/24/13/405162413.db2.gz FQNGSOMQKBOHFN-KGLIPLIRSA-N 0 0 311.447 2.092 10 30 DEEERN CCC1(CC)CN(C(=O)c2cc(C#N)oc2C)CC[S@]1=O ZINC000408407748 405199633 /nfs/dbraw/zinc/19/96/33/405199633.db2.gz WDHSVFUFXKRAIJ-OAQYLSRUSA-N 0 0 308.403 2.223 10 30 DEEERN C=CCC1(C(=O)N[C@H]([C@H](CO)C2CC2)C2CC2)CCOCC1 ZINC000424865373 405200542 /nfs/dbraw/zinc/20/05/42/405200542.db2.gz DBTFLWIRZQGZIS-CVEARBPZSA-N 0 0 307.434 2.273 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)NC(=O)CC1CCCCC1 ZINC000424935643 405215568 /nfs/dbraw/zinc/21/55/68/405215568.db2.gz YHQLRZXLCDNWSG-BPUTZDHNSA-N 0 0 322.449 2.169 10 30 DEEERN C=CCC1(C(=O)N2CCC(CC(=O)N(C)C)CC2)CCOCC1 ZINC000424759583 405169951 /nfs/dbraw/zinc/16/99/51/405169951.db2.gz KQWLSIILZVABEE-UHFFFAOYSA-N 0 0 322.449 2.076 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1ccccc1OC ZINC000425387516 405283693 /nfs/dbraw/zinc/28/36/93/405283693.db2.gz QSQIBVFUWQUPTH-GJZGRUSLSA-N 0 0 304.390 2.128 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000438149137 405234546 /nfs/dbraw/zinc/23/45/46/405234546.db2.gz GIIZPZWROIMHTP-KSSFIOAISA-N 0 0 316.401 2.457 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCO)Cc1ccc(C)o1 ZINC000438454634 405247269 /nfs/dbraw/zinc/24/72/69/405247269.db2.gz LJEXRRPSUFRFEK-HOCLYGCPSA-N 0 0 322.405 2.073 10 30 DEEERN C=CCOCCCC(=O)NC1(C(=O)Nc2ccccc2)CC1 ZINC000426392309 405357048 /nfs/dbraw/zinc/35/70/48/405357048.db2.gz WYRORTAYJASENG-UHFFFAOYSA-N 0 0 302.374 2.257 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CC(C)C)CC(C)(C)C ZINC000425908928 405329240 /nfs/dbraw/zinc/32/92/40/405329240.db2.gz LGVHIABTJQRXLZ-GJZGRUSLSA-N 0 0 324.465 2.224 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1ccc(OC)c(F)c1 ZINC000425443626 405291430 /nfs/dbraw/zinc/29/14/30/405291430.db2.gz LDKUBQMGCFKGSV-ZFWWWQNUSA-N 0 0 322.380 2.267 10 30 DEEERN C=CCn1cc(CNC(=O)NCCCc2cccc(F)c2)nn1 ZINC000425447806 405292084 /nfs/dbraw/zinc/29/20/84/405292084.db2.gz SXNICYACAVIYOY-UHFFFAOYSA-N 0 0 317.368 2.035 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1(CCOC)CCCC1 ZINC000425466679 405295105 /nfs/dbraw/zinc/29/51/05/405295105.db2.gz OZGTUUCPMNFLSY-GJZGRUSLSA-N 0 0 310.438 2.474 10 30 DEEERN C=CCC1(C(=O)N(C)c2ncc(C(=O)OC)s2)CCOCC1 ZINC000425537705 405300048 /nfs/dbraw/zinc/30/00/48/405300048.db2.gz QSYNAXWAMGTELJ-UHFFFAOYSA-N 0 0 324.402 2.265 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2cccc(F)c2C1 ZINC000425564209 405303584 /nfs/dbraw/zinc/30/35/84/405303584.db2.gz LDSBXLSFAYCNJE-BBRMVZONSA-N 0 0 304.365 2.485 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@](C)(O)C1CC1 ZINC000440225036 405306874 /nfs/dbraw/zinc/30/68/74/405306874.db2.gz HYPQWCSKTOOFHU-WMZOPIPTSA-N 0 0 316.401 2.239 10 30 DEEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccccc1N(C)C(C)=O ZINC000440261916 405307810 /nfs/dbraw/zinc/30/78/10/405307810.db2.gz ZVAMRRSKPQXQSR-CYBMUJFWSA-N 0 0 317.389 2.079 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)NCC[C@](C)(O)COC ZINC000455197694 405385988 /nfs/dbraw/zinc/38/59/88/405385988.db2.gz JAFBFTIJLRISBA-SFHVURJKSA-N 0 0 320.433 2.214 10 30 DEEERN COc1ccc(F)c(NCC(=O)NCc2ccc(C#N)cc2)c1 ZINC000447343878 405410818 /nfs/dbraw/zinc/41/08/18/405410818.db2.gz QKVLWBSQUUVYFB-UHFFFAOYSA-N 0 0 313.332 2.434 10 30 DEEERN C[C@@H](COc1ccc(F)cc1F)NC(=O)c1ccc(C#N)n1C ZINC000448784329 405448129 /nfs/dbraw/zinc/44/81/29/405448129.db2.gz SJDXPWZFRYRQAM-JTQLQIEISA-N 0 0 319.311 2.372 10 30 DEEERN C[C@H]1CN(C(=O)c2ccc(C#N)n2C)C[C@@H](c2ccccc2)O1 ZINC000448792148 405449151 /nfs/dbraw/zinc/44/91/51/405449151.db2.gz HQPFRVOLWVBBRL-GUYCJALGSA-N 0 0 309.369 2.499 10 30 DEEERN C=CC(C)(C)CNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C ZINC000456111187 405502579 /nfs/dbraw/zinc/50/25/79/405502579.db2.gz ADWIQQCORZKBFO-UHFFFAOYSA-N 0 0 314.389 2.493 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000456781575 405564625 /nfs/dbraw/zinc/56/46/25/405564625.db2.gz SXGJTKSWBSRWBH-NSHDSACASA-N 0 0 321.327 2.207 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000633410855 405628673 /nfs/dbraw/zinc/62/86/73/405628673.db2.gz FFSQNIZHCNRQBL-CYBMUJFWSA-N 0 0 316.467 2.197 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)C1(N2CCOCC2)CC1 ZINC000633434144 405641478 /nfs/dbraw/zinc/64/14/78/405641478.db2.gz JQMOHUZDGUQPQW-KRWDZBQOSA-N 0 0 314.429 2.155 10 30 DEEERN C=CCn1cc(CNC(=O)[C@@H]2Cc3ccc(Cl)cc32)nn1 ZINC000633487190 405672073 /nfs/dbraw/zinc/67/20/73/405672073.db2.gz SCXMOKRYAKAXIP-CQSZACIVSA-N 0 0 302.765 2.074 10 30 DEEERN C=CC(C)(C)CNC(=O)N1CCCC[C@@H]1CCS(C)(=O)=O ZINC000458990640 405680693 /nfs/dbraw/zinc/68/06/93/405680693.db2.gz RTNKQNIDBRLNPV-CYBMUJFWSA-N 0 0 316.467 2.197 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](c2cccnc2)C1 ZINC000633532591 405701648 /nfs/dbraw/zinc/70/16/48/405701648.db2.gz ATPWDSHEYQAESX-IAGOWNOFSA-N 0 0 315.417 2.259 10 30 DEEERN C=CCOc1cccc(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)c1 ZINC000449726281 405712900 /nfs/dbraw/zinc/71/29/00/405712900.db2.gz XBJRDUPJBSTQIF-DLBZAZTESA-N 0 0 321.442 2.403 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000450123748 405748393 /nfs/dbraw/zinc/74/83/93/405748393.db2.gz AIKQYYXMNDHNRG-KRWDZBQOSA-N 0 0 323.396 2.371 10 30 DEEERN C=CCCc1ccccc1NC(=O)NC[C@@H](O)[C@@H]1CCCO1 ZINC000529089250 405748984 /nfs/dbraw/zinc/74/89/84/405748984.db2.gz GORRAJOZELUGFI-CVEARBPZSA-N 0 0 304.390 2.467 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CN1C(=O)[C@@H]2c3ccoc3CCN2C1=O ZINC000530198268 405775931 /nfs/dbraw/zinc/77/59/31/405775931.db2.gz CQMCRXAIHXJQSL-CQDKDKBSSA-N 0 0 316.357 2.122 10 30 DEEERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)Cc1cccc(C#N)c1 ZINC000530908866 405879361 /nfs/dbraw/zinc/87/93/61/405879361.db2.gz QQYPFXYTNQZYTJ-HNNXBMFYSA-N 0 0 300.358 2.043 10 30 DEEERN C=CCCC(C)(C)CNC(=O)[C@@H](C)n1cnc2c1ncnc2N ZINC000633966473 405933539 /nfs/dbraw/zinc/93/35/39/405933539.db2.gz MOTOVQUGKSVBJE-LLVKDONJSA-N 0 0 316.409 2.078 10 30 DEEERN CCOC(=O)[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CC12COC2 ZINC000450572659 405959388 /nfs/dbraw/zinc/95/93/88/405959388.db2.gz UXQZLROJHXBRGZ-ZDUSSCGKSA-N 0 0 320.776 2.228 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2cccc(C(=O)NC)c2)C1 ZINC000636587074 406019473 /nfs/dbraw/zinc/01/94/73/406019473.db2.gz PJQLACLCYUGNDV-CYBMUJFWSA-N 0 0 301.390 2.154 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C)Cc1ccc(O)cc1 ZINC000636602048 406023196 /nfs/dbraw/zinc/02/31/96/406023196.db2.gz BWXPNLVECMXOHX-ZDUSSCGKSA-N 0 0 318.417 2.158 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C)Cc1ccc(O)cc1 ZINC000636602047 406023355 /nfs/dbraw/zinc/02/33/55/406023355.db2.gz BWXPNLVECMXOHX-CYBMUJFWSA-N 0 0 318.417 2.158 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000636468467 405973550 /nfs/dbraw/zinc/97/35/50/405973550.db2.gz KVIBYVKQRKDPDP-MRXNPFEDSA-N 0 0 314.429 2.379 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCC[C@H]1CCO[C@@H](C)C1 ZINC000636810783 406088056 /nfs/dbraw/zinc/08/80/56/406088056.db2.gz LUWPZYHXLIKEQF-KBPBESRZSA-N 0 0 310.438 2.026 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cnc(CC(C)C)nc1 ZINC000566442352 406088641 /nfs/dbraw/zinc/08/86/41/406088641.db2.gz PXQWTJUQVQJKJM-UHFFFAOYSA-N 0 0 318.421 2.476 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCCc1cc(F)cc(F)c1 ZINC000566486626 406089159 /nfs/dbraw/zinc/08/91/59/406089159.db2.gz KMSGPSFWLDTSTD-UHFFFAOYSA-N 0 0 324.371 2.486 10 30 DEEERN C=CCCCCNC(=O)N1CCS(=O)(=O)C(CC)(CC)C1 ZINC000464333458 406089376 /nfs/dbraw/zinc/08/93/76/406089376.db2.gz BUURFFJDFJAEHM-UHFFFAOYSA-N 0 0 316.467 2.342 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000636815654 406089595 /nfs/dbraw/zinc/08/95/95/406089595.db2.gz ILQJIDXPARDEPZ-AWEZNQCLSA-N 0 0 322.449 2.313 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000636817780 406090538 /nfs/dbraw/zinc/09/05/38/406090538.db2.gz VMDDZHCWCZYAAN-KGLIPLIRSA-N 0 0 310.438 2.025 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cc(C)cnc1OC ZINC000567177433 406094300 /nfs/dbraw/zinc/09/43/00/406094300.db2.gz HLTOWKCMLVRNFY-UHFFFAOYSA-N 0 0 305.378 2.200 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@H](C)c1nccs1 ZINC000636843583 406096705 /nfs/dbraw/zinc/09/67/05/406096705.db2.gz FVDAXWSEMABOBP-LBPRGKRZSA-N 0 0 323.462 2.471 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@@H](C)c1nccs1 ZINC000636843582 406097102 /nfs/dbraw/zinc/09/71/02/406097102.db2.gz FVDAXWSEMABOBP-GFCCVEGCSA-N 0 0 323.462 2.471 10 30 DEEERN C=CCCCCCNC(=O)c1c(C)nn(C)c1-n1cccn1 ZINC000563355251 406059463 /nfs/dbraw/zinc/05/94/63/406059463.db2.gz JBORNVHDNVWMKW-UHFFFAOYSA-N 0 0 301.394 2.390 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000636726320 406064420 /nfs/dbraw/zinc/06/44/20/406064420.db2.gz MZUVAFKDNQXCKM-NUEKZKHPSA-N 0 0 322.449 2.311 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000515782731 406078483 /nfs/dbraw/zinc/07/84/83/406078483.db2.gz KWOWXOFTNDNYDX-JJAZEVLHSA-N 0 0 316.401 2.364 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCn2cccc2[C@@H]1C ZINC000518999832 406172894 /nfs/dbraw/zinc/17/28/94/406172894.db2.gz LKXXEWYNQGHHJL-AWEZNQCLSA-N 0 0 303.406 2.254 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000516910003 406109825 /nfs/dbraw/zinc/10/98/25/406109825.db2.gz AJKZIFHBRRYGER-YVSFHVDLSA-N 0 0 316.401 2.407 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCCn2c(=O)[nH]c3ccccc32)C1 ZINC000636898677 406117707 /nfs/dbraw/zinc/11/77/07/406117707.db2.gz VYAQSVNFGKNSQC-ZDUSSCGKSA-N 0 0 314.389 2.350 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCC(C)(C)C(C)(C)O ZINC000636946009 406130297 /nfs/dbraw/zinc/13/02/97/406130297.db2.gz IWDISDGSPKVCIH-UHFFFAOYSA-N 0 0 312.454 2.008 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)[C@@](C)(OC)C1CC1 ZINC000636962271 406134508 /nfs/dbraw/zinc/13/45/08/406134508.db2.gz DSZGOBKDQPQWQC-FZKQIMNGSA-N 0 0 324.465 2.415 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](CF)c1ccc(F)cc1 ZINC000632547233 406178551 /nfs/dbraw/zinc/17/85/51/406178551.db2.gz DJGNNGPUPHLDSA-CQSZACIVSA-N 0 0 310.344 2.377 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)[C@H]1CCN(C2CCC2)C1=O ZINC000639643060 406185097 /nfs/dbraw/zinc/18/50/97/406185097.db2.gz ZKEBFRRDXOPSLP-KRWDZBQOSA-N 0 0 318.417 2.303 10 30 DEEERN C=CCOc1ccc(CNC(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1 ZINC000637138383 406187538 /nfs/dbraw/zinc/18/75/38/406187538.db2.gz MJDDKTLPGKJJSN-USXIJHARSA-N 0 0 316.401 2.306 10 30 DEEERN C=CC(C)(C)CNC(=O)NC[C@@H]1c2ccccc2C(=O)N1C ZINC000637190880 406205934 /nfs/dbraw/zinc/20/59/34/406205934.db2.gz MDLDQEVTEFUSMM-CQSZACIVSA-N 0 0 301.390 2.325 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)CC1CCC(C(=O)OCC)CC1 ZINC000568273538 406217182 /nfs/dbraw/zinc/21/71/82/406217182.db2.gz FJSQOIBHYQVJAG-SHARSMKWSA-N 0 0 311.422 2.047 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1C[C@H](OC)C12CCC2 ZINC000568624919 406219696 /nfs/dbraw/zinc/21/96/96/406219696.db2.gz XGGMVUJOQRNDHL-XQLPTFJDSA-N 0 0 308.422 2.177 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCCc1ccc(F)cc1 ZINC000519614147 406222325 /nfs/dbraw/zinc/22/23/25/406222325.db2.gz OLMCQHDMQBHJDV-UHFFFAOYSA-N 0 0 306.381 2.347 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCCC[C@H]1C[C@@H](C)O ZINC000569018640 406223187 /nfs/dbraw/zinc/22/31/87/406223187.db2.gz CBCXTWMSURAKFY-CABCVRRESA-N 0 0 310.438 2.001 10 30 DEEERN C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000487381572 406227295 /nfs/dbraw/zinc/22/72/95/406227295.db2.gz USADYYXUZRKCMJ-CYBMUJFWSA-N 0 0 309.387 2.202 10 30 DEEERN C=CCOCCCNC(=O)N[C@](C)(CO)Cc1ccccc1F ZINC000637276277 406238812 /nfs/dbraw/zinc/23/88/12/406238812.db2.gz ZNQVAJHJGRSTNI-KRWDZBQOSA-N 0 0 324.396 2.011 10 30 DEEERN C=C(C)COc1cccc(NC[C@H](O)CC2(O)CCOCC2)c1 ZINC000634718768 406244963 /nfs/dbraw/zinc/24/49/63/406244963.db2.gz IOUAQJRUJKSNAQ-MRXNPFEDSA-N 0 0 321.417 2.346 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000637324650 406258839 /nfs/dbraw/zinc/25/88/39/406258839.db2.gz XMZONXXKSDDUNS-RBSFLKMASA-N 0 0 310.438 2.160 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000537156915 406283159 /nfs/dbraw/zinc/28/31/59/406283159.db2.gz FLMXVJBVZKQKQQ-KBPBESRZSA-N 0 0 302.374 2.288 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccccc1COC(C)C ZINC000540810025 406297311 /nfs/dbraw/zinc/29/73/11/406297311.db2.gz HTPXWBSUYZDDFO-INIZCTEOSA-N 0 0 306.406 2.348 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(=O)NCC)cc1 ZINC000570712191 406430756 /nfs/dbraw/zinc/43/07/56/406430756.db2.gz LZBUJLMOBIAHFQ-ZFWWWQNUSA-N 0 0 317.389 2.149 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000637621121 406368453 /nfs/dbraw/zinc/36/84/53/406368453.db2.gz LWFQKVWPDUKJJB-ZDUSSCGKSA-N 0 0 316.467 2.197 10 30 DEEERN C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2O)C1 ZINC000633062274 406369507 /nfs/dbraw/zinc/36/95/07/406369507.db2.gz UJSXTPAXGUNPPE-VXGBXAGGSA-N 0 0 317.389 2.223 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](O)C1CCOCC1 ZINC000571052708 406472564 /nfs/dbraw/zinc/47/25/64/406472564.db2.gz FCDRBINBZWWSPG-DLBZAZTESA-N 0 0 303.402 2.078 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cnc(CC)nc1 ZINC000635259333 406477614 /nfs/dbraw/zinc/47/76/14/406477614.db2.gz AOOZJWQVMJLJTP-UHFFFAOYSA-N 0 0 304.394 2.086 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(C)nc(C)n1 ZINC000635207667 406460348 /nfs/dbraw/zinc/46/03/48/406460348.db2.gz MRDUFHASZVNPKC-UONOGXRCSA-N 0 0 316.405 2.283 10 30 DEEERN C=CCC1(NC(=O)C(=O)Nc2cnn3c2CCCC3)CCCC1 ZINC000635212209 406461368 /nfs/dbraw/zinc/46/13/68/406461368.db2.gz PNWZAUYDFMOVGA-UHFFFAOYSA-N 0 0 316.405 2.163 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc2c(c1)OCCCO2 ZINC000571315208 406506209 /nfs/dbraw/zinc/50/62/09/406506209.db2.gz BJKIIVNEQDGRHQ-KBPBESRZSA-N 0 0 303.358 2.169 10 30 DEEERN Cc1ccc([C@@H](CNc2ccncc2C#N)N2CCOCC2)cc1 ZINC000548481973 406521420 /nfs/dbraw/zinc/52/14/20/406521420.db2.gz GKBXNNZRJQLYJS-LJQANCHMSA-N 0 0 322.412 2.169 10 30 DEEERN C=CCN(CC=C)C(=O)CN1CCc2nc(C(C)C)ncc2C1 ZINC000527618050 406693287 /nfs/dbraw/zinc/69/32/87/406693287.db2.gz BENRYWOIYAOSNB-UHFFFAOYSA-N 0 0 314.433 2.159 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000572975061 406767994 /nfs/dbraw/zinc/76/79/94/406767994.db2.gz KBBSNQOAFMGVQS-LBPRGKRZSA-N 0 0 321.421 2.201 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000491762350 406706438 /nfs/dbraw/zinc/70/64/38/406706438.db2.gz LBPXZQWDKYSDQQ-LBPRGKRZSA-N 0 0 321.327 2.499 10 30 DEEERN C=CCn1cc(CNC(=O)N2CC[C@]3(CC[C@H](C)C3)C2)nn1 ZINC000574195534 406780409 /nfs/dbraw/zinc/78/04/09/406780409.db2.gz XKEHLVQIOOQPIP-BBRMVZONSA-N 0 0 303.410 2.186 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NC[C@@H](C)c1nccs1 ZINC000574650828 406784976 /nfs/dbraw/zinc/78/49/76/406784976.db2.gz CMUDNVQKYPZLGU-GFCCVEGCSA-N 0 0 309.435 2.225 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1C[C@H](C)CC[C@@H]1C ZINC000574608426 406785173 /nfs/dbraw/zinc/78/51/73/406785173.db2.gz UVKUFOMIGIELLV-NEPJUHHUSA-N 0 0 315.425 2.193 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1C1CCOCC1 ZINC000575118661 406789638 /nfs/dbraw/zinc/78/96/38/406789638.db2.gz HXMIQYOEEOHRKW-JYJNAYRXSA-N 0 0 308.422 2.178 10 30 DEEERN CC1(C)C(c2cccs2)=[N+]([O-])[C@@]2(CCCCCC2=O)N1O ZINC000575332769 406806861 /nfs/dbraw/zinc/80/68/61/406806861.db2.gz ZYLAKZISXFGEJC-FQNOHDAGSA-N 0 0 309.411 2.057 10 30 DEEERN C=CCn1c(C)nnc1N1CCO[C@@H](COc2ccccc2)C1 ZINC000554609767 406817664 /nfs/dbraw/zinc/81/76/64/406817664.db2.gz HBLNDDQKSRVFJK-MRXNPFEDSA-N 0 0 314.389 2.057 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@H](C(C)C)C1 ZINC000554611979 406817724 /nfs/dbraw/zinc/81/77/24/406817724.db2.gz SXJXYXIKQTYVJX-GJZGRUSLSA-N 0 0 320.437 2.424 10 30 DEEERN CCOC(=O)Cc1c(C#N)ccc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575395630 406808742 /nfs/dbraw/zinc/80/87/42/406808742.db2.gz LHXWIUBHMNTQQD-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN CCOC(=O)Cc1cc(C#N)c(C=O)cc1OC(F)(F)F ZINC000575390892 406809194 /nfs/dbraw/zinc/80/91/94/406809194.db2.gz IORXEUZNFQPOSF-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN N#CCc1c(F)cc([N+](=O)[O-])cc1I ZINC000575706946 406821531 /nfs/dbraw/zinc/82/15/31/406821531.db2.gz CDFYHJLVFVXWDK-UHFFFAOYSA-N 0 0 306.034 2.405 10 30 DEEERN CCOc1cc(CC#N)c(I)cc1N ZINC000575717223 406823285 /nfs/dbraw/zinc/82/32/85/406823285.db2.gz DDZKWEZQBLCXCD-UHFFFAOYSA-N 0 0 302.115 2.338 10 30 DEEERN CCOc1c(I)cc(N)cc1CC#N ZINC000575717456 406823528 /nfs/dbraw/zinc/82/35/28/406823528.db2.gz HGSMQZCFGXLFPD-UHFFFAOYSA-N 0 0 302.115 2.338 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCCO[C@H]1C(C)C ZINC000575918145 406827373 /nfs/dbraw/zinc/82/73/73/406827373.db2.gz LOSCFKQJRVUOGJ-VGWMRTNUSA-N 0 0 310.438 2.328 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000576222489 406829744 /nfs/dbraw/zinc/82/97/44/406829744.db2.gz SMMCEDHCKSLOPY-ZQDZILKHSA-N 0 0 308.422 2.177 10 30 DEEERN CN(c1ccccc1C#N)S(=O)(=O)c1cccnc1Cl ZINC000128624398 195978697 /nfs/dbraw/zinc/97/86/97/195978697.db2.gz OTRYUZLDULRVNR-UHFFFAOYSA-N 0 0 307.762 2.432 10 30 DEEERN Cc1cc([C@H]2CN(C(=O)CSCC#N)CCO2)ccc1F ZINC000129169687 196025522 /nfs/dbraw/zinc/02/55/22/196025522.db2.gz NWSNDAJLDWWMJU-CQSZACIVSA-N 0 0 308.378 2.291 10 30 DEEERN CCN(C[C@H](C)C#N)S(=O)(=O)c1cccc2ncccc21 ZINC000129363133 196042133 /nfs/dbraw/zinc/04/21/33/196042133.db2.gz VVWCFVQLNIIFLY-GFCCVEGCSA-N 0 0 303.387 2.405 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000129477341 196051675 /nfs/dbraw/zinc/05/16/75/196051675.db2.gz ZZPKLWDSMWEBOG-CQSZACIVSA-N 0 0 324.359 2.410 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)CCC3CCOCC3)C2)cc1 ZINC000130516952 196086072 /nfs/dbraw/zinc/08/60/72/196086072.db2.gz GAZMONBLUOWAMW-UHFFFAOYSA-N 0 0 314.385 2.355 10 30 DEEERN C=C(C)COc1cccc(NC(=O)N2CC(C(=O)NCC)C2)c1 ZINC000130528895 196087489 /nfs/dbraw/zinc/08/74/89/196087489.db2.gz SRBNJUBJGAVBSW-UHFFFAOYSA-N 0 0 317.389 2.241 10 30 DEEERN C=CCN(CCC)S(=O)(=O)c1ccc(N)c2cccnc21 ZINC000130580438 196092476 /nfs/dbraw/zinc/09/24/76/196092476.db2.gz UYWNLXPTWLXYAL-UHFFFAOYSA-N 0 0 305.403 2.404 10 30 DEEERN O=C(NCCCC(F)(F)F)c1ccc(C#CCO)cc1F ZINC000131043618 196134585 /nfs/dbraw/zinc/13/45/85/196134585.db2.gz HHISECHQDJMRBU-UHFFFAOYSA-N 0 0 303.255 2.242 10 30 DEEERN COC(=O)CN(C(=O)c1ccc(C#N)cc1C)C1CCCC1 ZINC000132211976 196235470 /nfs/dbraw/zinc/23/54/70/196235470.db2.gz SOCNRZCQVVDCTI-UHFFFAOYSA-N 0 0 300.358 2.425 10 30 DEEERN C#CCn1ncc(N[C@H]2CC[C@@H](C)C2)c(Br)c1=O ZINC000133262493 196326003 /nfs/dbraw/zinc/32/60/03/196326003.db2.gz NDDUCSPZYWOOQO-ZJUUUORDSA-N 0 0 310.195 2.240 10 30 DEEERN CC(C)CNC(=O)CNc1nc(C(F)(F)F)ccc1C#N ZINC000134664826 196410971 /nfs/dbraw/zinc/41/09/71/196410971.db2.gz PIESEPHAVGQJAI-UHFFFAOYSA-N 0 0 300.284 2.156 10 30 DEEERN C=C(C)CN(C)S(=O)(=O)c1cc(Cl)cc(CO)c1OC ZINC000135327129 196465174 /nfs/dbraw/zinc/46/51/74/196465174.db2.gz WIWWXQDQLAPHQC-UHFFFAOYSA-N 0 0 319.810 2.038 10 30 DEEERN COc1ccc(CSC[C@@H](C)CS(C)(=O)=O)cc1C#N ZINC000135347609 196466954 /nfs/dbraw/zinc/46/69/54/196466954.db2.gz XHXBZUKTAUAEDD-LLVKDONJSA-N 0 0 313.444 2.481 10 30 DEEERN O=C(NC1CCSCC1)c1cc(C#CCCO)ccc1F ZINC000136577384 196541859 /nfs/dbraw/zinc/54/18/59/196541859.db2.gz IYJLOWHDKJUNCZ-UHFFFAOYSA-N 0 0 307.390 2.185 10 30 DEEERN COc1ccc(C(=O)NCC(=O)Nc2cccc(C#N)c2C)cc1 ZINC000178375862 224858995 /nfs/dbraw/zinc/85/89/95/224858995.db2.gz JHVYOKFMLPNYLD-UHFFFAOYSA-N 0 0 323.352 2.244 10 30 DEEERN CCn1cc([C@@H]2CN(C(=O)C3(C#N)CCCCC3)CCO2)cn1 ZINC000191732064 225116079 /nfs/dbraw/zinc/11/60/79/225116079.db2.gz AHMOWKDFOGAWHF-HNNXBMFYSA-N 0 0 316.405 2.277 10 30 DEEERN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1C[C@H]1C ZINC000247145356 225231150 /nfs/dbraw/zinc/23/11/50/225231150.db2.gz NDMHBYPBAYPOKD-WZRBSPASSA-N 0 0 317.414 2.401 10 30 DEEERN COCCN(C(=O)[C@@H]1CCOC[C@@H]1C)c1ccc(C#N)cc1 ZINC000194461049 225182113 /nfs/dbraw/zinc/18/21/13/225182113.db2.gz HSGQEKNGANGTEW-XJKSGUPXSA-N 0 0 302.374 2.210 10 30 DEEERN O=C(CCC(=O)N1CCc2cncnc2C1)NC1CCCC1 ZINC000328751559 225794339 /nfs/dbraw/zinc/79/43/39/225794339.db2.gz CKUOFLAIVXOYSZ-UHFFFAOYSA-N 0 0 302.378 2.041 10 30 DEEERN O=C(N[C@@H]1CCOc2ccccc21)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329497794 225888462 /nfs/dbraw/zinc/88/84/62/225888462.db2.gz FFDAAXJZNSZOPD-MYPMTAMASA-N 0 0 302.374 2.127 10 30 DEEERN [O-]C(=[NH+][C@H]1CCc2c1cccc2O)N1CCc2cncnc2C1 ZINC000329805017 225931149 /nfs/dbraw/zinc/93/11/49/225931149.db2.gz MNNNEGGQRIWUOG-AWEZNQCLSA-N 0 0 310.357 2.142 10 30 DEEERN C[S@@](=O)c1cccc(NC(=O)N2CCO[C@H](C3CC3)C2)c1 ZINC000330123824 225969041 /nfs/dbraw/zinc/96/90/41/225969041.db2.gz HSIJMDXDOHVYAY-LHSJRXKWSA-N 0 0 308.403 2.080 10 30 DEEERN [O-]C(=[NH+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CCc2cncnc2C1 ZINC000330192198 225977539 /nfs/dbraw/zinc/97/75/39/225977539.db2.gz XQWOATMWVVIIAY-JZXOWHBKSA-N 0 0 320.396 2.335 10 30 DEEERN N#CC[C@@H]1CC[C@H](NC(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)C1 ZINC000333197456 226102815 /nfs/dbraw/zinc/10/28/15/226102815.db2.gz PXHASIZDXRESTB-NZUILWFCSA-N 0 0 303.406 2.422 10 30 DEEERN N#C[C@@H]1CN(C(=O)CCc2ccncn2)C[C@H]1c1ccccc1 ZINC000366424759 226966044 /nfs/dbraw/zinc/96/60/44/226966044.db2.gz WJIJUFRISLBJMG-WBVHZDCISA-N 0 0 306.369 2.175 10 30 DEEERN Cc1cccc(C2(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)c1 ZINC000370971346 227060146 /nfs/dbraw/zinc/06/01/46/227060146.db2.gz CPKAPXFQNRPCRJ-KRWDZBQOSA-N 0 0 309.413 2.225 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cc(Cl)ccc2F)CCN1C1CC1 ZINC000370972922 227062057 /nfs/dbraw/zinc/06/20/57/227062057.db2.gz MQXZJQKBRQQRLI-GFCCVEGCSA-N 0 0 307.756 2.291 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cc3c(s2)CCCC3)CCN1C1CC1 ZINC000370972327 227062134 /nfs/dbraw/zinc/06/21/34/227062134.db2.gz JFXUQHLZYWXFKO-CQSZACIVSA-N 0 0 315.442 2.439 10 30 DEEERN N#CC1CCC(CNC(=O)N2CC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000373001223 227101681 /nfs/dbraw/zinc/10/16/81/227101681.db2.gz IUBKPLHCIITADN-SSHXOBKSSA-N 0 0 305.422 2.384 10 30 DEEERN Cc1ccc(F)cc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000377671558 227195217 /nfs/dbraw/zinc/19/52/17/227195217.db2.gz LEONLOFQKTXLFK-AWEZNQCLSA-N 0 0 302.353 2.338 10 30 DEEERN Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2C#N)cc1F ZINC000408310236 227230686 /nfs/dbraw/zinc/23/06/86/227230686.db2.gz QZHSWIOSQLSQGE-BXKDBHETSA-N 0 0 300.330 2.244 10 30 DEEERN C=CCNc1nnc(S[C@@H]2CCN(C3CCC3)C2=O)s1 ZINC000630998850 422465717 /nfs/dbraw/zinc/46/57/17/422465717.db2.gz VGRVVTRISSPJMN-SNVBAGLBSA-N 0 0 310.448 2.382 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)Nc1ccn(C2CCOCC2)n1 ZINC000618906379 422526612 /nfs/dbraw/zinc/52/66/12/422526612.db2.gz FMMMUVGTSXNXPV-MRXNPFEDSA-N 0 0 307.394 2.402 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)Nc1ccn(C2CCOCC2)n1 ZINC000618906378 422527430 /nfs/dbraw/zinc/52/74/30/422527430.db2.gz FMMMUVGTSXNXPV-INIZCTEOSA-N 0 0 307.394 2.402 10 30 DEEERN N#Cc1cccc(Cc2nc(-c3cnc(C4CC4)nc3N)no2)c1 ZINC000519072168 424825113 /nfs/dbraw/zinc/82/51/13/424825113.db2.gz ZKUCRJGLERJGTQ-UHFFFAOYSA-N 0 0 318.340 2.449 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NCc1c2c(nn1C)CCCC2 ZINC000362245621 424850644 /nfs/dbraw/zinc/85/06/44/424850644.db2.gz LZJSBAAVIJYJPT-QGZVFWFLSA-N 0 0 305.422 2.144 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)Nc1cc(OC)n(C)n1 ZINC000547839343 424867866 /nfs/dbraw/zinc/86/78/66/424867866.db2.gz JKZCMFPKLXDMOM-UHFFFAOYSA-N 0 0 318.352 2.788 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(OC)n(C)n1 ZINC000568607619 424919765 /nfs/dbraw/zinc/91/97/65/424919765.db2.gz YUWASPATDCISCN-AWEZNQCLSA-N 0 0 314.389 2.738 10 30 DEEERN CCCC(=O)Nc1cccc(CNc2nc(C)cc(C#N)n2)c1 ZINC000584796921 424991702 /nfs/dbraw/zinc/99/17/02/424991702.db2.gz GJAFTSLMXVDCEX-UHFFFAOYSA-N 0 0 309.373 3.007 10 30 DEEERN C=CCC1(C(=O)NCCCNc2ccc(C)cn2)CCOCC1 ZINC000424709876 424993236 /nfs/dbraw/zinc/99/32/36/424993236.db2.gz TUKPLCVYNAJFSF-UHFFFAOYSA-N 0 0 317.433 2.681 10 30 DEEERN C=CCC1(C(=O)Nc2n[nH]c3cc(F)ccc32)CCOCC1 ZINC000424791616 424993623 /nfs/dbraw/zinc/99/36/23/424993623.db2.gz KIXYPQDUCVNLDY-UHFFFAOYSA-N 0 0 303.337 3.013 10 30 DEEERN C=C(C)CN(C)C(=O)Nc1ccn([C@H](CCC)C(=O)OCC)n1 ZINC000597038124 425030800 /nfs/dbraw/zinc/03/08/00/425030800.db2.gz IWNOZOBWHNUCKZ-CYBMUJFWSA-N 0 0 322.409 2.827 10 30 DEEERN COc1cc(F)cc(C[C@@H](C)Nc2nc(C)cc(C#N)n2)c1 ZINC000450951750 425083741 /nfs/dbraw/zinc/08/37/41/425083741.db2.gz QNTIMIHNXXMFID-SNVBAGLBSA-N 0 0 300.337 2.848 10 30 DEEERN COC(=O)COc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000530668949 267364582 /nfs/dbraw/zinc/36/45/82/267364582.db2.gz HCPUTZDGNMOTOX-UHFFFAOYSA-N 0 0 324.336 2.291 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1cccc(N2CC=CC2)c1 ZINC000177429194 267556160 /nfs/dbraw/zinc/55/61/60/267556160.db2.gz RIIWCDBWVRFTHD-UHFFFAOYSA-N 0 0 306.369 2.203 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC(n2ccnc2)C1 ZINC000524401154 269473999 /nfs/dbraw/zinc/47/39/99/269473999.db2.gz SEWOVNDATSDTRA-QGZVFWFLSA-N 0 0 324.384 2.242 10 30 DEEERN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N1CCc2cncnc2C1 ZINC000329326438 278069444 /nfs/dbraw/zinc/06/94/44/278069444.db2.gz JIDUUWARULMQJN-MEDUHNTESA-N 0 0 310.357 2.271 10 30 DEEERN CCN1CCCN(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)CC1=O ZINC000329859307 279282861 /nfs/dbraw/zinc/28/28/61/279282861.db2.gz ORJSWFIQXHQYLZ-GUYCJALGSA-N 0 0 315.417 2.388 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000408334226 279484615 /nfs/dbraw/zinc/48/46/15/279484615.db2.gz MQASRTBFUOAFEY-WDEREUQCSA-N 0 0 301.371 2.153 10 30 DEEERN CC[C@@H]1CCC[C@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000377792378 280305113 /nfs/dbraw/zinc/30/51/13/280305113.db2.gz NXEFJNFLWWFDAT-IJEWVQPXSA-N 0 0 304.438 2.337 10 30 DEEERN Cc1ccnc(CN2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)n1 ZINC000328874812 292764341 /nfs/dbraw/zinc/76/43/41/292764341.db2.gz RTYABBBNCTUVRZ-UGSOOPFHSA-N 0 0 319.368 2.280 10 30 DEEERN CN1CCc2ccc(NC(=O)N[C@H]3CCC[C@H]3C#N)cc2C1=O ZINC000408234573 290253570 /nfs/dbraw/zinc/25/35/70/290253570.db2.gz FTTVDQJZEGNJFY-WFASDCNBSA-N 0 0 312.373 2.128 10 30 DEEERN N#C[C@H]1CN(c2nnc(C3CC3)o2)C[C@]12C(=O)Nc1ccccc12 ZINC000329380144 294848759 /nfs/dbraw/zinc/84/87/59/294848759.db2.gz NFOIDMCECXHCLY-GTNSWQLSSA-N 0 0 321.340 2.446 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000408339988 303160280 /nfs/dbraw/zinc/16/02/80/303160280.db2.gz MSOCTTVDNOPEOY-GZMMTYOYSA-N 0 0 302.758 2.450 10 30 DEEERN CC#CCCCC(=O)N[C@](C)(C(=O)OCC)c1cccnc1 ZINC000572732849 332677218 /nfs/dbraw/zinc/67/72/18/332677218.db2.gz RTSNRRZBEOEUID-KRWDZBQOSA-N 0 0 302.374 2.170 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1ccncc1CC ZINC000569940683 332695499 /nfs/dbraw/zinc/69/54/99/332695499.db2.gz HUOPWNILISMEQW-UHFFFAOYSA-N 0 0 303.406 2.123 10 30 DEEERN CCCCNC(=O)Cc1noc(C2(c3ccc(C#N)cc3)CC2)n1 ZINC000187989446 333008303 /nfs/dbraw/zinc/00/83/03/333008303.db2.gz VBAKBCKGLMRLRD-UHFFFAOYSA-N 0 0 324.384 2.480 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)Cc1cccc(OC)c1 ZINC000582045348 333185066 /nfs/dbraw/zinc/18/50/66/333185066.db2.gz XJPXJMCAEVWSSQ-MAZHCROVSA-N 0 0 304.390 2.269 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccnc(OCc2ccccc2)c1 ZINC000185708902 333370756 /nfs/dbraw/zinc/37/07/56/333370756.db2.gz AGGTUTBLJADWDS-MRXNPFEDSA-N 0 0 312.369 2.327 10 30 DEEERN C=CCOc1ccccc1CNC(=O)NCc1nccn1CC ZINC000296820669 335146456 /nfs/dbraw/zinc/14/64/56/335146456.db2.gz ZIBGCAXNMZCRKI-UHFFFAOYSA-N 0 0 314.389 2.467 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cccc(C(=O)OC)c1 ZINC000563382546 333599174 /nfs/dbraw/zinc/59/91/74/333599174.db2.gz HWMKRCPGOPACOP-UHFFFAOYSA-N 0 0 318.373 2.274 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000583642782 336014549 /nfs/dbraw/zinc/01/45/49/336014549.db2.gz VSYXQTBMSYSWPO-OAGGEKHMSA-N 0 0 301.390 2.289 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cn(CCOC)nc1C ZINC000360294220 336707435 /nfs/dbraw/zinc/70/74/35/336707435.db2.gz XTXJWTRJAAPGPZ-UHFFFAOYSA-N 0 0 305.300 2.028 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccnc(N2CC[C@@H](C)C2)c1 ZINC000580398539 337085908 /nfs/dbraw/zinc/08/59/08/337085908.db2.gz SHNUHKNBLUTDNR-YUELXQCFSA-N 0 0 301.390 2.001 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000582467245 337093563 /nfs/dbraw/zinc/09/35/63/337093563.db2.gz KIZSYQPCAOGRMU-XPKDYRNWSA-N 0 0 312.373 2.036 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1COCc2ccccc21 ZINC000582721910 337125206 /nfs/dbraw/zinc/12/52/06/337125206.db2.gz BAUNECZVEZGBFH-RCBQFDQVSA-N 0 0 302.374 2.148 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@H](C)[C@H]1CC ZINC000582767689 337140772 /nfs/dbraw/zinc/14/07/72/337140772.db2.gz YAXRIDDWZOCBKX-WCQYABFASA-N 0 0 315.425 2.193 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@@H](C)[C@@H]1CC ZINC000582767690 337140822 /nfs/dbraw/zinc/14/08/22/337140822.db2.gz YAXRIDDWZOCBKX-YPMHNXCESA-N 0 0 315.425 2.193 10 30 DEEERN CCS(=O)(=O)Nc1ccc2c(c1)CCC(=O)[C@@H]2[C@H](C)C#N ZINC000584602192 337371046 /nfs/dbraw/zinc/37/10/46/337371046.db2.gz ZUUVAZBUGCYNGV-MEBBXXQBSA-N 0 0 306.387 2.207 10 30 DEEERN CO/N=C(\I)c1cccc([N+](=O)[O-])c1 ZINC000584611446 337372189 /nfs/dbraw/zinc/37/21/89/337372189.db2.gz BWFYHDVCCGSYAO-NTMALXAHSA-N 0 0 306.059 2.338 10 30 DEEERN COC(=O)c1ccc(CC[C@@H](CC(C#N)C#N)C(=O)OC)cc1 ZINC000584594504 337373798 /nfs/dbraw/zinc/37/37/98/337373798.db2.gz BRNMIFMFLAKKGO-HNNXBMFYSA-N 0 0 314.341 2.248 10 30 DEEERN CN(C)c1ccc(/C=N/c2ccccc2S(N)(=O)=O)cc1 ZINC000584597069 337374327 /nfs/dbraw/zinc/37/43/27/337374327.db2.gz WPHUGDUHQVPBEF-GZTJUZNOSA-N 0 0 303.387 2.151 10 30 DEEERN C=CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)OC2(CCC2)C1 ZINC000515382836 337987089 /nfs/dbraw/zinc/98/70/89/337987089.db2.gz BICNVPHJFAVAII-ZIAGYGMSSA-N 0 0 318.421 2.463 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc(C)c(C(=O)OC)c1 ZINC000173795415 340374304 /nfs/dbraw/zinc/37/43/04/340374304.db2.gz FTIOUACUJFUQMI-UHFFFAOYSA-N 0 0 311.403 2.368 10 30 DEEERN COCc1c(C(=O)N[C@@H](C#N)C2CC2)cnn1-c1ccccc1 ZINC000186112410 340508314 /nfs/dbraw/zinc/50/83/14/340508314.db2.gz NVWLRWJXMAPJNL-HNNXBMFYSA-N 0 0 310.357 2.051 10 30 DEEERN C=CCn1c(CC)nnc1N1CC[S@@](=O)C(CC)(CC)C1 ZINC000548852327 341278101 /nfs/dbraw/zinc/27/81/01/341278101.db2.gz HSKRCWGUVIAKLP-OAQYLSRUSA-N 0 0 310.467 2.154 10 30 DEEERN N#C[C@@H]1CN(c2nnc(C3CCC3)n2Cc2ccccc2)CCO1 ZINC000549539092 341296971 /nfs/dbraw/zinc/29/69/71/341296971.db2.gz FALILWHRHZLWPH-MRXNPFEDSA-N 0 0 323.400 2.323 10 30 DEEERN C=CCCCNC(=O)C(=O)NCc1ccccc1COC(C)C ZINC000550790183 341322973 /nfs/dbraw/zinc/32/29/73/341322973.db2.gz GCXGYETXOYJMTB-UHFFFAOYSA-N 0 0 318.417 2.310 10 30 DEEERN C=CCn1nnnc1SCCN1CCCc2ccccc21 ZINC000154242422 341587125 /nfs/dbraw/zinc/58/71/25/341587125.db2.gz UJCOXZNCHMBJKR-UHFFFAOYSA-N 0 0 301.419 2.404 10 30 DEEERN C=CCn1c(N(C)C[C@H]2CCCO2)nnc1[C@@]1(C)CCCO1 ZINC000572831872 341705876 /nfs/dbraw/zinc/70/58/76/341705876.db2.gz TZGZBECQKCYIGH-CZUORRHYSA-N 0 0 306.410 2.105 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000574053517 341747153 /nfs/dbraw/zinc/74/71/53/341747153.db2.gz DKKLVAIEABBYFN-MAZHCROVSA-N 0 0 301.390 2.146 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(F)c(NC(C)=O)c1 ZINC000576513158 341850089 /nfs/dbraw/zinc/85/00/89/341850089.db2.gz UAXRNRUKZVMSFF-NHYWBVRUSA-N 0 0 321.352 2.497 10 30 DEEERN C=C[C@H](CC(=O)N1CCS(=O)(=O)C(C)(C)C1)c1ccccc1 ZINC000126541923 500581839 /nfs/dbraw/zinc/58/18/39/500581839.db2.gz HXVKKHSYNSODPJ-CQSZACIVSA-N 0 0 321.442 2.382 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)NCCCN1CCCC1=O ZINC000178549091 533731281 /nfs/dbraw/zinc/73/12/81/533731281.db2.gz ZWIWCVPPDXMAOJ-UHFFFAOYSA-N 0 0 300.362 2.001 10 30 DEEERN COc1cc(CN(C)C(=O)c2cc(C#N)[nH]c2C)cc(OC)c1 ZINC000448669017 533779757 /nfs/dbraw/zinc/77/97/57/533779757.db2.gz DOKAOXMOXDKJDU-UHFFFAOYSA-N 0 0 313.357 2.484 10 30 DEEERN C[C@@H]1Oc2ccc(NC(=O)N[C@@H]3CCC[C@@H]3C#N)cc2NC1=O ZINC000408238926 534213083 /nfs/dbraw/zinc/21/30/83/534213083.db2.gz ZHVMZSQPXYVCBM-HOSYDEDBSA-N 0 0 314.345 2.220 10 30 DEEERN O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1CC#Cc1ccccc1 ZINC000187946946 534325162 /nfs/dbraw/zinc/32/51/62/534325162.db2.gz JAWZTTUZRBTUPO-UHFFFAOYSA-N 0 0 321.292 2.463 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC1(CF)CCOCC1 ZINC000454898492 534365155 /nfs/dbraw/zinc/36/51/55/534365155.db2.gz KOMNYBPZVLDNTE-UONOGXRCSA-N 0 0 314.401 2.033 10 30 DEEERN C=CCn1c(N(CC)C[C@H]2CCCO2)nnc1[C@]1(C)CCCO1 ZINC000453448144 534442113 /nfs/dbraw/zinc/44/21/13/534442113.db2.gz YCLPEUOTUCSVTE-PBHICJAKSA-N 0 0 320.437 2.495 10 30 DEEERN C=CC(C)(C)CNC(=O)N[C@@H]1C[C@H](OCC)[C@H]1n1cccn1 ZINC000455111833 534513161 /nfs/dbraw/zinc/51/31/61/534513161.db2.gz RMLDDOGCSIGNKP-RDBSUJKOSA-N 0 0 306.410 2.113 10 30 DEEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CC[S@@](=O)C2)cs1 ZINC000330314140 534563915 /nfs/dbraw/zinc/56/39/15/534563915.db2.gz XRDKBQVZSNNWEV-HTBQSJRVSA-N 0 0 313.448 2.023 10 30 DEEERN N#CC1CCN(C(=O)NCCOc2ccc(F)cc2F)CC1 ZINC000171743301 534584242 /nfs/dbraw/zinc/58/42/42/534584242.db2.gz VKEDGMAHZWUVLL-UHFFFAOYSA-N 0 0 309.316 2.289 10 30 DEEERN CC#CCN(C)C(=O)N[C@@H](c1c(C)nn(C)c1C)C(F)(F)F ZINC000455078060 534706681 /nfs/dbraw/zinc/70/66/81/534706681.db2.gz UAUUTIQTZICWPQ-LBPRGKRZSA-N 0 0 316.327 2.305 10 30 DEEERN COC(=O)[C@@H]1CCN(Cc2cc(C#N)ccc2OC)C[C@H]1C ZINC000248974801 523714507 /nfs/dbraw/zinc/71/45/07/523714507.db2.gz DGFNGPINZWQJGA-IUODEOHRSA-N 0 0 302.374 2.198 10 30 DEEERN Cc1nnccc1NC(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000329668135 534873567 /nfs/dbraw/zinc/87/35/67/534873567.db2.gz LSXMHFQRBGHJLV-CYBMUJFWSA-N 0 0 320.418 2.465 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000189674069 526289157 /nfs/dbraw/zinc/28/91/57/526289157.db2.gz VJVVQZDQIUHOGX-DZGCQCFKSA-N 0 0 304.390 2.395 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@H](C)[C@H]1COc2ccccc21 ZINC000189674085 526291170 /nfs/dbraw/zinc/29/11/70/526291170.db2.gz VJVVQZDQIUHOGX-UKRRQHHQSA-N 0 0 304.390 2.395 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000128860775 526310432 /nfs/dbraw/zinc/31/04/32/526310432.db2.gz HMZHAOFQDDHNEQ-INIZCTEOSA-N 0 0 315.417 2.048 10 30 DEEERN CC#CCN(C)C(=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000341053185 526352539 /nfs/dbraw/zinc/35/25/39/526352539.db2.gz WYIFYMBQPSSLQK-QGZVFWFLSA-N 0 0 301.386 2.405 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CC[C@H](C)C3)cc2C1=O ZINC000444325340 526411357 /nfs/dbraw/zinc/41/13/57/526411357.db2.gz ZTYGKEWFUAOYBU-AAEUAGOBSA-N 0 0 312.369 2.387 10 30 DEEERN CC(=O)CCc1ccc(OCCC(=O)N[C@H](C#N)C2CC2)cc1 ZINC000108834351 526427184 /nfs/dbraw/zinc/42/71/84/526427184.db2.gz PQPOKQPSGQGMAI-QGZVFWFLSA-N 0 0 314.385 2.395 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)C1=O ZINC000337085036 526497366 /nfs/dbraw/zinc/49/73/66/526497366.db2.gz DBXPGIZWIOLHDQ-QSPRXWTASA-N 0 0 312.413 2.281 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000339737750 526515207 /nfs/dbraw/zinc/51/52/07/526515207.db2.gz VPBSYFLKARKQBH-GFCCVEGCSA-N 0 0 322.380 2.436 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)Nc1cnc(C)nc1C1CC1 ZINC000411344206 526516833 /nfs/dbraw/zinc/51/68/33/526516833.db2.gz WAQLFVYQJZYZLD-UHFFFAOYSA-N 0 0 302.378 2.026 10 30 DEEERN C=C(C)CN(CC)C(=O)N[C@@H](CC(=O)NC)c1ccccc1 ZINC000431103205 526532743 /nfs/dbraw/zinc/53/27/43/526532743.db2.gz PDCCKFKNMUJXIZ-HNNXBMFYSA-N 0 0 303.406 2.471 10 30 DEEERN C=C(C)COCCNC(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000338471081 526647289 /nfs/dbraw/zinc/64/72/89/526647289.db2.gz XCUSZBDURZOMSO-UHFFFAOYSA-N 0 0 315.377 2.041 10 30 DEEERN C=C(C)COc1cccc(NC(=O)N2CC[C@@H](C(=O)NC)C2)c1 ZINC000421056066 526668203 /nfs/dbraw/zinc/66/82/03/526668203.db2.gz SDVQBRIELWUABI-CYBMUJFWSA-N 0 0 317.389 2.241 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000376934197 526674859 /nfs/dbraw/zinc/67/48/59/526674859.db2.gz SFSASLSMPIIVPZ-UHFFFAOYSA-N 0 0 303.365 2.423 10 30 DEEERN C#CCCCC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000192023431 526682241 /nfs/dbraw/zinc/68/22/41/526682241.db2.gz JPNHNILQJUVBPM-HNNXBMFYSA-N 0 0 300.402 2.441 10 30 DEEERN C#CCCCCC(=O)N1CCCN(C(=O)c2ccoc2)CC1 ZINC000371400139 526686112 /nfs/dbraw/zinc/68/61/12/526686112.db2.gz DDVCKBLITFEKQO-UHFFFAOYSA-N 0 0 302.374 2.148 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCO[C@H](COC)C1 ZINC000338808683 526728278 /nfs/dbraw/zinc/72/82/78/526728278.db2.gz IFJPOBMCDXHBMR-HNNXBMFYSA-N 0 0 322.453 2.294 10 30 DEEERN C#CCCS(=O)(=O)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000377392354 526746096 /nfs/dbraw/zinc/74/60/96/526746096.db2.gz WLAXDSYUINELHP-UHFFFAOYSA-N 0 0 310.806 2.177 10 30 DEEERN C=C(C)[C@@H](CC(=O)N[C@@H](C)c1noc(COCC)n1)OCC ZINC000358377691 526751050 /nfs/dbraw/zinc/75/10/50/526751050.db2.gz AWWJXCNCKIMQER-NWDGAFQWSA-N 0 0 311.382 2.155 10 30 DEEERN C=CCOCCNC(=O)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000371652426 526773869 /nfs/dbraw/zinc/77/38/69/526773869.db2.gz XSKPXQDBSHVOEY-QGZVFWFLSA-N 0 0 318.417 2.344 10 30 DEEERN C=CCOCCNC(=O)N1CCC(Oc2ccccc2)CC1 ZINC000369452886 526774758 /nfs/dbraw/zinc/77/47/58/526774758.db2.gz RDXSVJXSRSGORJ-UHFFFAOYSA-N 0 0 304.390 2.442 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1sc2nccn2c1C ZINC000281343838 526782090 /nfs/dbraw/zinc/78/20/90/526782090.db2.gz JYKHZBMBCQZBRZ-NEPJUHHUSA-N 0 0 305.403 2.415 10 30 DEEERN C=CCOCCNC(=O)[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000371646858 526782298 /nfs/dbraw/zinc/78/22/98/526782298.db2.gz QCWDGMOHDNYHBP-MRXNPFEDSA-N 0 0 316.401 2.000 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1snc(C)c1C#N ZINC000297465145 526799553 /nfs/dbraw/zinc/79/95/53/526799553.db2.gz QPCXOKVIFSUWPT-JQWIXIFHSA-N 0 0 306.391 2.426 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N(c2ccc(CCC(C)C)cn2)C1=O ZINC000414359558 526800951 /nfs/dbraw/zinc/80/09/51/526800951.db2.gz FDRNRAPLLVVBKN-AWEZNQCLSA-N 0 0 317.389 2.298 10 30 DEEERN C=CCOc1ccc(CNC(=O)COCc2cc(C)no2)cc1 ZINC000355745612 526875075 /nfs/dbraw/zinc/87/50/75/526875075.db2.gz PWOUGAOZZSTOBP-UHFFFAOYSA-N 0 0 316.357 2.381 10 30 DEEERN C=CC1CCN(C(=O)[C@H](NC(=O)c2ccccn2)C(C)C)CC1 ZINC000110368012 526973295 /nfs/dbraw/zinc/97/32/95/526973295.db2.gz LBAWHSSWUZFFOO-MRXNPFEDSA-N 0 0 315.417 2.261 10 30 DEEERN C=CCSCCNC(=O)NCCc1cnc(C2CC2)nc1 ZINC000339539245 526992926 /nfs/dbraw/zinc/99/29/26/526992926.db2.gz PROWUPRCCDBPCQ-UHFFFAOYSA-N 0 0 306.435 2.115 10 30 DEEERN C=CCC(C)(C)CNC(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000418218244 527005265 /nfs/dbraw/zinc/00/52/65/527005265.db2.gz QLPMKEUHOWKQTL-OAHLLOKOSA-N 0 0 302.422 2.340 10 30 DEEERN C=CCC(CC=C)C(=O)N1C[C@H](OC)C[C@@H]1CC(=O)OCC ZINC000372234479 527026026 /nfs/dbraw/zinc/02/60/26/527026026.db2.gz YLKYEUXFMJXOOY-HUUCEWRRSA-N 0 0 309.406 2.324 10 30 DEEERN C=CCC1(C(=O)N(CC)C[C@@H](O)C(F)(F)F)CCOCC1 ZINC000424796814 527038477 /nfs/dbraw/zinc/03/84/77/527038477.db2.gz QJWDCEUGVMVIGU-LLVKDONJSA-N 0 0 309.328 2.131 10 30 DEEERN C=CCC1(C(=O)N2CCC(c3ccnn3CCO)CC2)CCC1 ZINC000189802131 527040889 /nfs/dbraw/zinc/04/08/89/527040889.db2.gz SULBRCUPZPVDDK-UHFFFAOYSA-N 0 0 317.433 2.328 10 30 DEEERN C=CCC1(C(=O)NCCCN(C)CC(F)(F)F)CCOCC1 ZINC000424586635 527051654 /nfs/dbraw/zinc/05/16/54/527051654.db2.gz FTSYIQHJKWLHGB-UHFFFAOYSA-N 0 0 322.371 2.360 10 30 DEEERN C=CCC1(C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)CCOCC1 ZINC000424689469 527058023 /nfs/dbraw/zinc/05/80/23/527058023.db2.gz OYOMMHSJBHFPRI-CYBMUJFWSA-N 0 0 319.449 2.457 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCOc1ccccc1C(C)C ZINC000183417316 527089588 /nfs/dbraw/zinc/08/95/88/527089588.db2.gz XVGJYHSLHKOCTI-AWEZNQCLSA-N 0 0 306.406 2.425 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@@H](CC)Oc1ccccc1F ZINC000183651966 527090304 /nfs/dbraw/zinc/09/03/04/527090304.db2.gz FOAOJFXRCZXKDR-QWHCGFSZSA-N 0 0 310.369 2.219 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@H](OC)c1ccc(Cl)cc1 ZINC000341605918 527091948 /nfs/dbraw/zinc/09/19/48/527091948.db2.gz ZXWUBFZYSFTKRW-KBPBESRZSA-N 0 0 312.797 2.264 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cccc(Br)c1F ZINC000192210083 527098992 /nfs/dbraw/zinc/09/89/92/527098992.db2.gz HZYLYDQRWJSDAM-QMMMGPOBSA-N 0 0 302.143 2.255 10 30 DEEERN C=CC[C@H](C(=O)NC[C@H]1CN(C2CC2)CCO1)c1ccccc1 ZINC000189610118 527122257 /nfs/dbraw/zinc/12/22/57/527122257.db2.gz GMCZLJAXGWZFCZ-ROUUACIJSA-N 0 0 314.429 2.326 10 30 DEEERN C=CC[C@H](C)NC(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000434603434 527125996 /nfs/dbraw/zinc/12/59/96/527125996.db2.gz BBOHHJNACWYYSB-ZJUUUORDSA-N 0 0 307.419 2.287 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@H](C2CC2)C1 ZINC000376561272 527159966 /nfs/dbraw/zinc/15/99/66/527159966.db2.gz HNYVXCWGEIFOGL-ROUUACIJSA-N 0 0 312.413 2.441 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NS(=O)(=O)C[C@H](C)COCC ZINC000295863363 527173904 /nfs/dbraw/zinc/17/39/04/527173904.db2.gz FFNPODWJIZFXTA-NVXWUHKLSA-N 0 0 323.458 2.213 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000341840450 527175282 /nfs/dbraw/zinc/17/52/82/527175282.db2.gz MGBFLNSHZAKEMP-WVZRYYJFSA-N 0 0 318.417 2.423 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@H](C)Cc1cccc(OC)c1 ZINC000341799718 527175423 /nfs/dbraw/zinc/17/54/23/527175423.db2.gz HCYUIVVVUVQKRQ-HIFRSBDPSA-N 0 0 306.406 2.110 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@H](C)c1c(F)cccc1OC ZINC000341850082 527175480 /nfs/dbraw/zinc/17/54/80/527175480.db2.gz WXUAQPYKSIVZPW-NEPJUHHUSA-N 0 0 310.369 2.379 10 30 DEEERN C=CC[C@H](CO)CNC(=O)Nc1ccc(-c2ncon2)cc1 ZINC000341761919 527177691 /nfs/dbraw/zinc/17/76/91/527177691.db2.gz JUMJOUFFKNBZQD-NSHDSACASA-N 0 0 302.334 2.043 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000188769960 527182265 /nfs/dbraw/zinc/18/22/65/527182265.db2.gz VIWURKCWZCHTPS-GFCCVEGCSA-N 0 0 304.394 2.217 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000248609239 527198427 /nfs/dbraw/zinc/19/84/27/527198427.db2.gz KODOPJQUAUKQLO-OAGGEKHMSA-N 0 0 304.390 2.143 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccccc1OCc1cscn1 ZINC000337047149 527208112 /nfs/dbraw/zinc/20/81/12/527208112.db2.gz GSAZCUZRGXPUMA-GFCCVEGCSA-N 0 0 318.398 2.389 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000337066037 527208311 /nfs/dbraw/zinc/20/83/11/527208311.db2.gz JXEKIVFSWDPGDS-GFCCVEGCSA-N 0 0 322.364 2.348 10 30 DEEERN C=CC[C@H](CO)Nc1ccnc(C(=O)NCc2ccccc2)c1 ZINC000182661400 527212682 /nfs/dbraw/zinc/21/26/82/527212682.db2.gz RHNWJQNTIMSNCO-MRXNPFEDSA-N 0 0 311.385 2.361 10 30 DEEERN C=CCCCNC(=O)N1CCOC[C@@H]1c1noc(C(C)C)n1 ZINC000448257236 527218961 /nfs/dbraw/zinc/21/89/61/527218961.db2.gz SPPGJIWMNLIQQB-GFCCVEGCSA-N 0 0 308.382 2.242 10 30 DEEERN C=CCCCNC(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000448030084 527219194 /nfs/dbraw/zinc/21/91/94/527219194.db2.gz KBBGVHHEJRZWTF-MRXNPFEDSA-N 0 0 304.390 2.442 10 30 DEEERN C=CCCCNC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000447907165 527223441 /nfs/dbraw/zinc/22/34/41/527223441.db2.gz ZOTJFGKIAKFQBB-UHFFFAOYSA-N 0 0 311.407 2.025 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1CCCN(c2cccnn2)CC1 ZINC000302101568 527228036 /nfs/dbraw/zinc/22/80/36/527228036.db2.gz LOCAWVMCCINLHD-UHFFFAOYSA-N 0 0 321.384 2.268 10 30 DEEERN C=CCCCNS(=O)(=O)c1ccccc1Cn1ccnc1 ZINC000443217127 527233622 /nfs/dbraw/zinc/23/36/22/527233622.db2.gz QXKHCCWGIQUPOS-UHFFFAOYSA-N 0 0 305.403 2.176 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N1CC[C@](C)(C(=O)OC)C1 ZINC000337855720 527280918 /nfs/dbraw/zinc/28/09/18/527280918.db2.gz LGQOZCAIHPOEFY-INIZCTEOSA-N 0 0 316.361 2.114 10 30 DEEERN C=CCn1c(C(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC000337900776 527291714 /nfs/dbraw/zinc/29/17/14/527291714.db2.gz IQQBJVZEZIQVDM-AWEZNQCLSA-N 0 0 319.453 2.329 10 30 DEEERN C=CCn1c(C)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000282245331 527300265 /nfs/dbraw/zinc/30/02/65/527300265.db2.gz KICZBWHRDBBTDR-AAEUAGOBSA-N 0 0 321.425 2.122 10 30 DEEERN C=CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC000295835462 527349730 /nfs/dbraw/zinc/34/97/30/527349730.db2.gz CZQVUOBWPUEULB-MCIONIFRSA-N 0 0 306.410 2.319 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NC1(C(=O)Nc2ccccc2)CC1 ZINC000426381075 527376758 /nfs/dbraw/zinc/37/67/58/527376758.db2.gz VBVHCLOAFZJZCZ-ZDUSSCGKSA-N 0 0 302.374 2.255 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC(C)(C)C1 ZINC000425910696 527491320 /nfs/dbraw/zinc/49/13/20/527491320.db2.gz XMLJGYGVBLOKIX-ILXRZTDVSA-N 0 0 322.449 2.026 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1ccc(OC)c(F)c1 ZINC000424900794 527493311 /nfs/dbraw/zinc/49/33/11/527493311.db2.gz FVTWOGDVOLAGAW-ZFWWWQNUSA-N 0 0 307.365 2.474 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCOC[C@H]1C ZINC000337531095 527503992 /nfs/dbraw/zinc/50/39/92/527503992.db2.gz DBSFXFJDUWRSQX-HIFRSBDPSA-N 0 0 316.401 2.285 10 30 DEEERN C=CCCc1ccccc1NC(=O)N1CCO[C@H]([C@@H](C)O)C1 ZINC000417101551 527506089 /nfs/dbraw/zinc/50/60/89/527506089.db2.gz YIAOKXFGXTYARY-CJNGLKHVSA-N 0 0 304.390 2.419 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CCC(Oc2cnccn2)CC1 ZINC000369683793 527527361 /nfs/dbraw/zinc/52/73/61/527527361.db2.gz PBTAOLXRZJUHFR-KRWDZBQOSA-N 0 0 319.405 2.075 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000188369336 527533931 /nfs/dbraw/zinc/53/39/31/527533931.db2.gz CFCWMRFFHKZBOZ-GUYCJALGSA-N 0 0 320.437 2.061 10 30 DEEERN C=CCN(C(=O)c1ccn(C)c1)c1nc(C(=O)OCC)cs1 ZINC000346609808 527550282 /nfs/dbraw/zinc/55/02/82/527550282.db2.gz PHMFNQQHRDWLED-UHFFFAOYSA-N 0 0 319.386 2.491 10 30 DEEERN CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000408333424 527643082 /nfs/dbraw/zinc/64/30/82/527643082.db2.gz DYHILDATLHTPFY-RWMBFGLXSA-N 0 0 323.462 2.133 10 30 DEEERN CC(C)[C@](C)(C#N)NC(=O)CN1CCO[C@@H](c2cccs2)C1 ZINC000247638531 527930607 /nfs/dbraw/zinc/93/06/07/527930607.db2.gz VKYHFOGMMWFUCK-CJNGLKHVSA-N 0 0 321.446 2.176 10 30 DEEERN CC1=C(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CCC1 ZINC000329164716 528067035 /nfs/dbraw/zinc/06/70/35/528067035.db2.gz GXZDNXFBHLOBCE-IUODEOHRSA-N 0 0 302.378 2.149 10 30 DEEERN CC(C)[C@@H](NCC#Cc1ccccc1)c1nc(-c2nc[nH]n2)no1 ZINC000192184530 528583776 /nfs/dbraw/zinc/58/37/76/528583776.db2.gz GIFJPGCMEZIFOF-CQSZACIVSA-N 0 0 322.372 2.193 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(Cc3noc(C4CC4)n3)C2)n1 ZINC000328622854 528746986 /nfs/dbraw/zinc/74/69/86/528746986.db2.gz ISIPHDOZNBEBNR-GFCCVEGCSA-N 0 0 316.365 2.198 10 30 DEEERN CC1(C#N)CCN(C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000369409873 528838169 /nfs/dbraw/zinc/83/81/69/528838169.db2.gz UOTRAMWOUKBMJF-BBRMVZONSA-N 0 0 323.462 2.376 10 30 DEEERN CC(C)[C@@H](C)CNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000172507466 535148196 /nfs/dbraw/zinc/14/81/96/535148196.db2.gz WLFCGPBHNWIHRG-AWEZNQCLSA-N 0 0 315.421 2.077 10 30 DEEERN N#CC1(NC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000185713151 625379016 /nfs/dbraw/zinc/37/90/16/625379016.db2.gz YTRWSMFFWPPUGI-UHFFFAOYSA-N 0 0 319.364 2.256 10 30 DEEERN C=C[C@H](C)OC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000187621417 622861503 /nfs/dbraw/zinc/86/15/03/622861503.db2.gz IGJBCSTWPSIATD-VIFPVBQESA-N 0 0 310.400 2.107 10 30 DEEERN N#C[C@H](OC(=O)C1CCN(C(=O)c2ccccc2)CC1)C1CC1 ZINC000177034909 625619734 /nfs/dbraw/zinc/61/97/34/625619734.db2.gz KCOYSXXMPMGXHO-INIZCTEOSA-N 0 0 312.369 2.384 10 30 DEEERN CC[S@](=O)CCNc1c(C#N)cnc2c(C)cc(F)cc21 ZINC000742405902 624031087 /nfs/dbraw/zinc/03/10/87/624031087.db2.gz FUCOKSQBHZUINN-NRFANRHFSA-N 0 0 305.378 2.156 10 30 DEEERN CC(C)[C@@H](C)CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000177889722 624060168 /nfs/dbraw/zinc/06/01/68/624060168.db2.gz QNWDKUMKMKOFSW-NSHDSACASA-N 0 0 321.352 2.075 10 30 DEEERN N#C[C@@]1(NC(=O)c2coc(Br)c2)CCSC1 ZINC000077036023 624069548 /nfs/dbraw/zinc/06/95/48/624069548.db2.gz CYBMGTSLLWDXBO-JTQLQIEISA-N 0 0 301.165 2.171 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CSCCS1 ZINC000176061537 624583916 /nfs/dbraw/zinc/58/39/16/624583916.db2.gz RQFHBPNOXGVXSU-AAEUAGOBSA-N 0 0 322.455 2.290 10 30 DEEERN C#CCSCCNC(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000176299234 624708402 /nfs/dbraw/zinc/70/84/02/624708402.db2.gz YENLUEYAQKYHQN-OAHLLOKOSA-N 0 0 310.463 2.486 10 30 DEEERN C[C@@H](OC1CCCCCC1)C(=O)[C@@H](C#N)C(=O)N1CCCC1 ZINC000162262530 632933808 /nfs/dbraw/zinc/93/38/08/632933808.db2.gz HDZVMBUSXOARLA-UKRRQHHQSA-N 0 0 306.406 2.446 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NC1CCN(C(=O)OC(C)C)CC1 ZINC000112600367 633256342 /nfs/dbraw/zinc/25/63/42/633256342.db2.gz UTWRYEWABDSCEQ-ZDUSSCGKSA-N 0 0 312.410 2.093 10 30 DEEERN C=C(COC(=O)[C@@H](C)Oc1ccc(OC)cc1)C(=O)OCC ZINC000734026335 633312039 /nfs/dbraw/zinc/31/20/39/633312039.db2.gz KZFLRUNMHYYLEO-GFCCVEGCSA-N 0 0 308.330 2.125 10 30 DEEERN C=C(COC(=O)Cc1cnn(-c2ccccc2)c1)C(=O)OCC ZINC000734027052 633312937 /nfs/dbraw/zinc/31/29/37/633312937.db2.gz RBEWBLLKATWYFG-UHFFFAOYSA-N 0 0 314.341 2.077 10 30 DEEERN C=C(COC(=O)c1cc2ccccc2c(=O)[nH]1)C(=O)OCC ZINC000734025492 633317967 /nfs/dbraw/zinc/31/79/67/633317967.db2.gz SBFLAIOWDFCYLB-UHFFFAOYSA-N 0 0 301.298 2.217 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)NCC[S@@](=O)CC ZINC000735109381 633462909 /nfs/dbraw/zinc/46/29/09/633462909.db2.gz HVAVVDZYBCJIEW-IBGZPJMESA-N 0 0 300.449 2.214 10 30 DEEERN Cn1c(N)nnc1SCc1cc(Cl)ccc1OCC#N ZINC000735303360 633499556 /nfs/dbraw/zinc/49/95/56/633499556.db2.gz QYSXHKZEKMXODH-UHFFFAOYSA-N 0 0 309.782 2.245 10 30 DEEERN C=C(Cl)CNC(=O)Cc1nnn(-c2ccc(C)cc2)c1C ZINC000736243245 633582435 /nfs/dbraw/zinc/58/24/35/633582435.db2.gz WNKKTOMPUGSREU-UHFFFAOYSA-N 0 0 304.781 2.295 10 30 DEEERN C=C(Cl)CNS(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000736342441 633603437 /nfs/dbraw/zinc/60/34/37/633603437.db2.gz RYCMDGWRHYTHSX-UHFFFAOYSA-N 0 0 324.185 2.157 10 30 DEEERN Cc1noc([C@H](C)OC(=O)[C@@H](C)Oc2ccccc2C#N)n1 ZINC000073507477 634101511 /nfs/dbraw/zinc/10/15/11/634101511.db2.gz TWXWUAFBRGOQAQ-VHSXEESVSA-N 0 0 301.302 2.321 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)O[C@H]1C[C@H](OC)C[C@H](OC)C1 ZINC000249172396 635194950 /nfs/dbraw/zinc/19/49/50/635194950.db2.gz CDUBVYDUXZEHCU-ORIJERBGSA-N 0 0 300.395 2.341 10 30 DEEERN CCN(C[C@@H](C)C#N)Cn1ncc2cc(C(=O)OC)ccc21 ZINC000726961289 637332463 /nfs/dbraw/zinc/33/24/63/637332463.db2.gz KHJREFNBNUXNKJ-LBPRGKRZSA-N 0 0 300.362 2.262 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[S@](=O)CC ZINC000741423889 637980745 /nfs/dbraw/zinc/98/07/45/637980745.db2.gz IEPLAPXPTZDIBX-JOCHJYFZSA-N 0 0 324.446 2.161 10 30 DEEERN COc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1C#N ZINC000742368387 638064761 /nfs/dbraw/zinc/06/47/61/638064761.db2.gz FNRJASLLKYCDOK-UHFFFAOYSA-N 0 0 313.313 2.470 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)OCC[C@@H](C)OC)cc2C1=O ZINC000744310022 638208738 /nfs/dbraw/zinc/20/87/38/638208738.db2.gz XKLHWSASAHOZFP-LLVKDONJSA-N 0 0 317.341 2.050 10 30 DEEERN C=CCSCCNC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746723504 638372958 /nfs/dbraw/zinc/37/29/58/638372958.db2.gz YYQHNBYTWXIGBH-UHFFFAOYSA-N 0 0 305.403 2.285 10 30 DEEERN COC[C@@H](NC(=O)NCc1ccc(OC)c(C#N)c1)C(C)C ZINC000746731720 638373416 /nfs/dbraw/zinc/37/34/16/638373416.db2.gz SZUIRDFCLHCNHF-CQSZACIVSA-N 0 0 305.378 2.037 10 30 DEEERN COc1ccc(CNC(=O)NCC2(C)CCOCC2)cc1C#N ZINC000746733621 638373535 /nfs/dbraw/zinc/37/35/35/638373535.db2.gz GUADDDNKLLDRAK-UHFFFAOYSA-N 0 0 317.389 2.183 10 30 DEEERN COc1ccc(CNC(=O)NCc2ccc(O)cc2)cc1C#N ZINC000746768993 638376626 /nfs/dbraw/zinc/37/66/26/638376626.db2.gz WKFOYKZEPHZKQG-UHFFFAOYSA-N 0 0 311.341 2.272 10 30 DEEERN COc1ccc(CNC(=O)CCn2cc(Cl)cn2)cc1C#N ZINC000746856800 638381930 /nfs/dbraw/zinc/38/19/30/638381930.db2.gz ARZIAVNOURNZRT-UHFFFAOYSA-N 0 0 318.764 2.123 10 30 DEEERN CC/C(=C\C(=O)OCC(=O)NCCC#N)c1ccc(OC)cc1 ZINC000747129069 638409958 /nfs/dbraw/zinc/40/99/58/638409958.db2.gz IVCATRAQDYXIIY-ACCUITESSA-N 0 0 316.357 2.062 10 30 DEEERN CC[C@H]1CO[C@H](C)CN1C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747421662 638436476 /nfs/dbraw/zinc/43/64/76/638436476.db2.gz HJZIHMQGYVVKFY-DOMZBBRYSA-N 0 0 317.389 2.276 10 30 DEEERN COC(=O)c1ccc(C=NNCc2cccc3cccnc32)[nH]1 ZINC000747633763 638456550 /nfs/dbraw/zinc/45/65/50/638456550.db2.gz VOSUYULYWBJNID-UHFFFAOYSA-N 0 0 308.341 2.473 10 30 DEEERN C[C@@H](C#N)NC(=O)c1ccc(F)cc1NC(=O)c1ccoc1 ZINC000749585503 638661593 /nfs/dbraw/zinc/66/15/93/638661593.db2.gz AHWNNZANBJAHSP-VIFPVBQESA-N 0 0 301.277 2.313 10 30 DEEERN C=C(C)CNC(=S)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000749735574 638677036 /nfs/dbraw/zinc/67/70/36/638677036.db2.gz KGWQSRPAGVQUGJ-UHFFFAOYSA-N 0 0 306.357 2.321 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1noc(-c2ccc(F)cc2)n1 ZINC000896835655 638710571 /nfs/dbraw/zinc/71/05/71/638710571.db2.gz RKRYYLWKWFCRQQ-JQWIXIFHSA-N 0 0 300.293 2.298 10 30 DEEERN Cc1c(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cnn1CCC#N ZINC000896850537 638722892 /nfs/dbraw/zinc/72/28/92/638722892.db2.gz HUGQNGQMULGFFG-HNNXBMFYSA-N 0 0 312.377 2.196 10 30 DEEERN CN(Cc1ccccc1)C(=O)COC(=O)Cc1cccc(C#N)c1 ZINC000750429270 638743870 /nfs/dbraw/zinc/74/38/70/638743870.db2.gz ABGJTLWWSLJYNS-UHFFFAOYSA-N 0 0 322.364 2.303 10 30 DEEERN C#CCCNC(=O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000752015671 639146412 /nfs/dbraw/zinc/14/64/12/639146412.db2.gz YRMAFXMDNRERBW-KRWDZBQOSA-N 0 0 300.402 2.443 10 30 DEEERN N#Cc1ccccc1OCC(=O)N1CCCc2cc[nH]c(=O)c21 ZINC000752923189 639235441 /nfs/dbraw/zinc/23/54/41/639235441.db2.gz QMCJHYKXEBBHMC-UHFFFAOYSA-N 0 0 309.325 2.017 10 30 DEEERN C#CCCCS(=O)(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000805029422 639251939 /nfs/dbraw/zinc/25/19/39/639251939.db2.gz PPABYADZFHRFEQ-AWEZNQCLSA-N 0 0 310.375 2.379 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)o1 ZINC000805091039 639614234 /nfs/dbraw/zinc/61/42/34/639614234.db2.gz ZNRKUWHOGAHBFR-GFCCVEGCSA-N 0 0 322.773 2.250 10 30 DEEERN C=CCN(CC=C)C(=O)CCn1ncc2c1c(C)nn2CC ZINC000223874012 639719854 /nfs/dbraw/zinc/71/98/54/639719854.db2.gz APWFSICZDIMEQQ-UHFFFAOYSA-N 0 0 301.394 2.152 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCC[C@@H](C)[S@](C)=O ZINC000805216696 640254925 /nfs/dbraw/zinc/25/49/25/640254925.db2.gz BROPRBUOJIRNOF-YGHRGLEHSA-N 0 0 320.458 2.077 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C#C)[C@@H]1CCCO1 ZINC000805306727 640781218 /nfs/dbraw/zinc/78/12/18/640781218.db2.gz ZSRLGZKJKMVSOC-SQNIBIBYSA-N 0 0 310.397 2.101 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCn2ccnc2C1 ZINC000805310415 640810002 /nfs/dbraw/zinc/81/00/02/640810002.db2.gz MQRMWZPGCSKFRV-DLBZAZTESA-N 0 0 322.412 2.132 10 30 DEEERN Cc1nc2sccc2c(=O)n1N=Cc1cnn2ccccc12 ZINC000729635540 640817401 /nfs/dbraw/zinc/81/74/01/640817401.db2.gz ZNIPCVHZSCBEQR-UHFFFAOYSA-N 0 0 309.354 2.296 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC1(O)CCC1 ZINC000805478054 641740494 /nfs/dbraw/zinc/74/04/94/641740494.db2.gz PJQVPCCOWWDZQM-INIZCTEOSA-N 0 0 300.402 2.225 10 30 DEEERN C=CCC1(C(=O)O[C@H](C)C(=O)NCCc2ccncc2)CCC1 ZINC000805981728 644097822 /nfs/dbraw/zinc/09/78/22/644097822.db2.gz RXFJECWLDRJQBK-CQSZACIVSA-N 0 0 316.401 2.418 10 30 DEEERN C#CCCCCCc1nc(-c2ccc(S(N)(=O)=O)cc2)no1 ZINC000800964916 645325348 /nfs/dbraw/zinc/32/53/48/645325348.db2.gz VTGFMKDXZBPFSP-UHFFFAOYSA-N 0 0 319.386 2.120 10 30 DEEERN C#CCC1(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)CCCCC1 ZINC000801261204 645362258 /nfs/dbraw/zinc/36/22/58/645362258.db2.gz QSRPLRXWMUWBID-OAHLLOKOSA-N 0 0 303.402 2.167 10 30 DEEERN C#C[C@H](C)Oc1ccc(COC(=O)CCc2nc(C)no2)cc1 ZINC000802808845 645561928 /nfs/dbraw/zinc/56/19/28/645561928.db2.gz TVLMAIZJSNTEIA-LBPRGKRZSA-N 0 0 314.341 2.455 10 30 DEEERN C#C[C@H](C)Oc1ccc(COC(=O)[C@]2(C)CCC(=O)NC2)cc1 ZINC000802811760 645563007 /nfs/dbraw/zinc/56/30/07/645563007.db2.gz OQGAXQHREYKJHJ-SCLBCKFNSA-N 0 0 315.369 2.047 10 30 DEEERN C=CCCCCCCCOC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000802980457 645589814 /nfs/dbraw/zinc/58/98/14/645589814.db2.gz NVHZBRUJDNQXHG-CQSZACIVSA-N 0 0 317.451 2.480 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000803697748 645680738 /nfs/dbraw/zinc/68/07/38/645680738.db2.gz QEMLWPHOUQAOCL-OFQRWUPVSA-N 0 0 303.402 2.133 10 30 DEEERN C#CCC(CC#C)C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000803699763 645681762 /nfs/dbraw/zinc/68/17/62/645681762.db2.gz PCHHBJGHWQBHOK-UHFFFAOYSA-N 0 0 301.298 2.180 10 30 DEEERN C=CCN1CC[C@H](OC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)C1=O ZINC000803737960 645688735 /nfs/dbraw/zinc/68/87/35/645688735.db2.gz QVISMCKVGDONII-MXWKQRLJSA-N 0 0 305.296 2.295 10 30 DEEERN C=CCOc1ccc(CNC(=O)[C@@H]2CCCC23OCCO3)cc1 ZINC000804140827 645730906 /nfs/dbraw/zinc/73/09/06/645730906.db2.gz WVSCLRKORLVAJG-INIZCTEOSA-N 0 0 317.385 2.411 10 30 DEEERN C#CCSCCN1C(=O)N[C@H](Cc2cccc(Cl)c2)C1=O ZINC000804173556 645735212 /nfs/dbraw/zinc/73/52/12/645735212.db2.gz XARDMGAFGXAFMF-CYBMUJFWSA-N 0 0 322.817 2.169 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CC[C@]1(C)CCC(=O)N1 ZINC000804459201 645774006 /nfs/dbraw/zinc/77/40/06/645774006.db2.gz SCINNGOZYYFHJO-VQIMIIECSA-N 0 0 312.413 2.186 10 30 DEEERN C#CCC(CC#C)C(=O)N(Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000806408431 645827555 /nfs/dbraw/zinc/82/75/55/645827555.db2.gz BJPXNDGBVLLLDN-UHFFFAOYSA-N 0 0 322.408 2.200 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000806614403 645852800 /nfs/dbraw/zinc/85/28/00/645852800.db2.gz UCLMVEMCNYQSRB-MRXNPFEDSA-N 0 0 324.424 2.363 10 30 DEEERN N#Cc1ccc(NC(=S)N2CC[C@H](CC(N)=O)C2)cc1Cl ZINC000806610629 645852970 /nfs/dbraw/zinc/85/29/70/645852970.db2.gz ZQYWJGKCWCWRIK-SECBINFHSA-N 0 0 322.821 2.106 10 30 DEEERN C=CC[C@H](NC(=O)C1CN(CC(F)(F)F)C1)c1ccncc1 ZINC000806865360 645880810 /nfs/dbraw/zinc/88/08/10/645880810.db2.gz XNCGUXGKKHNXSN-ZDUSSCGKSA-N 0 0 313.323 2.309 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](Cn1cccn1)c1ccccc1 ZINC000806913168 645888650 /nfs/dbraw/zinc/88/86/50/645888650.db2.gz RKFYHEKOPLOXSO-GOSISDBHSA-N 0 0 305.381 2.403 10 30 DEEERN C#Cc1cncc(C(=O)NCc2ccccc2-n2ccc(C)n2)c1 ZINC000807095209 645910906 /nfs/dbraw/zinc/91/09/06/645910906.db2.gz BDAJYSUPDZVEDT-UHFFFAOYSA-N 0 0 316.364 2.487 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](C)CC(=O)OCc1ccccc1 ZINC000807150362 645915572 /nfs/dbraw/zinc/91/55/72/645915572.db2.gz RIRSQJGOPAOTCU-HNNXBMFYSA-N 0 0 311.381 2.287 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000807431907 645950290 /nfs/dbraw/zinc/95/02/90/645950290.db2.gz IAQFRZFLDFIABZ-ZDUSSCGKSA-N 0 0 321.384 2.015 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@](O)(CC)C1 ZINC000807465881 645953305 /nfs/dbraw/zinc/95/33/05/645953305.db2.gz NEGWABQTSOVSSB-AEFFLSMTSA-N 0 0 300.402 2.177 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@H](O)C1CC1 ZINC000807464977 645953556 /nfs/dbraw/zinc/95/35/56/645953556.db2.gz CPBXAYFQYQKXNM-SJORKVTESA-N 0 0 300.402 2.033 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1(CCO)CCC1 ZINC000807468025 645954096 /nfs/dbraw/zinc/95/40/96/645954096.db2.gz MKKQLAUWKQBYGH-KRWDZBQOSA-N 0 0 314.429 2.473 10 30 DEEERN C#CCn1ccc(CN(CC)C(=O)N[C@H]2CCCC2(F)F)n1 ZINC000807598808 645969606 /nfs/dbraw/zinc/96/96/06/645969606.db2.gz ZZZZHIIWXVHZFF-ZDUSSCGKSA-N 0 0 310.348 2.236 10 30 DEEERN C#C[C@@H](NC(=O)c1csc(-c2ncccn2)n1)C(C)(C)C ZINC000807882279 646004354 /nfs/dbraw/zinc/00/43/54/646004354.db2.gz ZEPKCRODFJHLQC-LLVKDONJSA-N 0 0 300.387 2.378 10 30 DEEERN CC(=NNC(=S)NCCC(C)C)c1cn2c(n1)CCCC2 ZINC000807956417 646012246 /nfs/dbraw/zinc/01/22/46/646012246.db2.gz QXPSWRJCDBMNBY-UHFFFAOYSA-N 0 0 307.467 2.454 10 30 DEEERN N#CCCN1CCN(C(=O)/C=C\c2ccccc2Cl)CC1 ZINC000209975960 646142475 /nfs/dbraw/zinc/14/24/75/646142475.db2.gz GDJATUBFAAOCPP-SREVYHEPSA-N 0 0 303.793 2.411 10 30 DEEERN C=C(Br)CN1CCC(C(=O)N(CC)CC)CC1 ZINC000058524156 646553630 /nfs/dbraw/zinc/55/36/30/646553630.db2.gz VJKMERIFOZFZRK-UHFFFAOYSA-N 0 0 303.244 2.475 10 30 DEEERN C#CCCCOC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000170714555 646660758 /nfs/dbraw/zinc/66/07/58/646660758.db2.gz QELXPVSQLVUWHR-INIZCTEOSA-N 0 0 303.358 2.219 10 30 DEEERN CN1C(=O)CC[C@@H](C(=O)OCCCC#N)[C@H]1c1ccccc1 ZINC000171858047 646715500 /nfs/dbraw/zinc/71/55/00/646715500.db2.gz APWPGPWTEYYUBR-GDBMZVCRSA-N 0 0 300.358 2.443 10 30 DEEERN COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000173939594 646785309 /nfs/dbraw/zinc/78/53/09/646785309.db2.gz VWFJJFNBTFJEDP-QLFBSQMISA-N 0 0 306.406 2.064 10 30 DEEERN C#CCCCNC(=O)N[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000174126747 646792282 /nfs/dbraw/zinc/79/22/82/646792282.db2.gz QTEYORWCUGCBKB-UONOGXRCSA-N 0 0 323.437 2.392 10 30 DEEERN C=CCCO[C@H](C)C(=O)[C@H](C#N)c1nnc2n1CCCCC2 ZINC000064102124 646816000 /nfs/dbraw/zinc/81/60/00/646816000.db2.gz SDECQSRLJYRKOY-OLZOCXBDSA-N 0 0 302.378 2.162 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000730280528 646887441 /nfs/dbraw/zinc/88/74/41/646887441.db2.gz VTBWFSFNAFHEEY-BPQIPLTHSA-N 0 0 312.413 2.073 10 30 DEEERN N#CCCCOC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000731737032 647504480 /nfs/dbraw/zinc/50/44/80/647504480.db2.gz ORFITEOMGUKWPA-UHFFFAOYSA-N 0 0 302.330 2.039 10 30 DEEERN C[C@@H](NC(=S)N1CCN(C2CC2)[C@@H](C#N)C1)c1cccs1 ZINC000732625634 647632817 /nfs/dbraw/zinc/63/28/17/647632817.db2.gz LISOCJRTYHLOEZ-YPMHNXCESA-N 0 0 320.487 2.356 10 30 DEEERN N#C[C@H]1CN(Cn2ccc(-c3ccsc3)n2)CCN1C1CC1 ZINC000732673025 647639888 /nfs/dbraw/zinc/63/98/88/647639888.db2.gz SIIPRAKPOUTTPN-HNNXBMFYSA-N 0 0 313.430 2.241 10 30 DEEERN Cc1cc2ncn(CN3CCN(C4CC4)[C@@H](C#N)C3)c2cc1C ZINC000732672848 647639968 /nfs/dbraw/zinc/63/99/68/647639968.db2.gz OFEWOPVWMPKZMC-INIZCTEOSA-N 0 0 309.417 2.283 10 30 DEEERN CCOCCOCCOC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000179927597 648440166 /nfs/dbraw/zinc/44/01/66/648440166.db2.gz XPXPKDDDCCFLKA-UHFFFAOYSA-N 0 0 303.358 2.452 10 30 DEEERN C#CCCOC(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000180776243 648513731 /nfs/dbraw/zinc/51/37/31/648513731.db2.gz QGOFYQLUVDKWSI-UHFFFAOYSA-N 0 0 304.365 2.148 10 30 DEEERN C#CCCNC(=O)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000238873927 648572482 /nfs/dbraw/zinc/57/24/82/648572482.db2.gz NONMSEINLCFLPZ-UHFFFAOYSA-N 0 0 308.765 2.046 10 30 DEEERN CC(C)[C@H](C)CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000181868165 648771726 /nfs/dbraw/zinc/77/17/26/648771726.db2.gz SZEAFMCHBJRGSB-CHWSQXEVSA-N 0 0 317.389 2.324 10 30 DEEERN CCc1ccc(OCC(=O)OCC2(C#N)CCOCC2)cc1 ZINC000183991827 649219369 /nfs/dbraw/zinc/21/93/69/649219369.db2.gz ICNRKKQPGGYSEA-UHFFFAOYSA-N 0 0 303.358 2.491 10 30 DEEERN C#CCN(CC#C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000072906988 649537847 /nfs/dbraw/zinc/53/78/47/649537847.db2.gz RYZKWRIRZMHVML-UHFFFAOYSA-N 0 0 310.275 2.092 10 30 DEEERN C#CCCNC(=O)NCCc1ccc(-c2nc(CC)no2)cc1 ZINC000733345929 649548621 /nfs/dbraw/zinc/54/86/21/649548621.db2.gz JYEBECRCMSXZRX-UHFFFAOYSA-N 0 0 312.373 2.164 10 30 DEEERN C#CCCNC(=O)Nc1ccc(C)c(NC(=O)NCCC#C)c1 ZINC000733336754 649549664 /nfs/dbraw/zinc/54/96/64/649549664.db2.gz WAEPUXKFIMNXFI-UHFFFAOYSA-N 0 0 312.373 2.285 10 30 DEEERN CC(C)[C@@H](C#N)OC(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000080382538 683981940 /nfs/dbraw/zinc/98/19/40/683981940.db2.gz HQLYKQZXCHMHGA-CQSZACIVSA-N 0 0 307.394 2.006 10 30 DEEERN CC(C)NC(=O)c1ccccc1NC(=O)c1cc(C#N)cn1C ZINC000081012298 683987260 /nfs/dbraw/zinc/98/72/60/683987260.db2.gz YMUHNEVEOHLSBI-UHFFFAOYSA-N 0 0 310.357 2.287 10 30 DEEERN Cc1n[nH]c(C)c1CCOC(=O)[C@H](C)Oc1ccccc1C#N ZINC000089489678 684023824 /nfs/dbraw/zinc/02/38/24/684023824.db2.gz YMDKZELGNYNVCQ-ZDUSSCGKSA-N 0 0 313.357 2.451 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000119052307 684076529 /nfs/dbraw/zinc/07/65/29/684076529.db2.gz FZAPAXHXDLQQSR-UHFFFAOYSA-N 0 0 319.336 2.091 10 30 DEEERN CCCCc1ccc(N2C[C@H](C(=O)N[C@H](C)C#N)CC2=O)cc1 ZINC000125394082 684145216 /nfs/dbraw/zinc/14/52/16/684145216.db2.gz DQXPBLUGVWIADW-UKRRQHHQSA-N 0 0 313.401 2.410 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CN1C[C@H](C)O[C@@H](C)C1 ZINC000131005570 684195593 /nfs/dbraw/zinc/19/55/93/684195593.db2.gz LIFOBBJOCLKKDZ-STQMWFEESA-N 0 0 311.389 2.192 10 30 DEEERN Cn1cc(C#N)cc1C(=O)O[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000132615588 684211119 /nfs/dbraw/zinc/21/11/19/684211119.db2.gz ZEESKWUGHZOIOZ-VHDGCEQUSA-N 0 0 300.358 2.401 10 30 DEEERN O=C(C#Cc1ccc2c(c1)OCO2)N1CCOc2ccccc21 ZINC000136890145 684242194 /nfs/dbraw/zinc/24/21/94/684242194.db2.gz ZEXLTGAIAIMPDC-UHFFFAOYSA-N 0 0 307.305 2.192 10 30 DEEERN C#CCCCCNC(=O)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000159070602 684308848 /nfs/dbraw/zinc/30/88/48/684308848.db2.gz WLMSUPPZYPZXEW-CYBMUJFWSA-N 0 0 302.374 2.252 10 30 DEEERN C#CCCCC(=O)O[C@@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000191181193 684422911 /nfs/dbraw/zinc/42/29/11/684422911.db2.gz SIRHJVASWSMNFZ-OAHLLOKOSA-N 0 0 301.390 2.409 10 30 DEEERN CC[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000195525782 685101288 /nfs/dbraw/zinc/10/12/88/685101288.db2.gz NMJFMDOITJTNRK-SECBINFHSA-N 0 0 320.292 2.012 10 30 DEEERN Cc1cc(C[NH2+]C[C@@H](C(=O)[O-])C2CCOCC2)ccc1C#N ZINC000863744483 686564487 /nfs/dbraw/zinc/56/44/87/686564487.db2.gz BNJNFRDXQWUINR-MRXNPFEDSA-N 0 0 302.374 2.084 10 30 DEEERN CC(=O)N1CCO[C@@H]2CCN(c3ccc(Cl)cc3C#N)C[C@@H]21 ZINC000886034139 691989049 /nfs/dbraw/zinc/98/90/49/691989049.db2.gz UMAIDTABHINZPS-JKSUJKDBSA-N 0 0 319.792 2.038 10 30 DEEERN C=C(COC(=O)[C@@H](O)[C@@H](C)c1ccc(C)cc1)C(=O)OCC ZINC000745754434 784752074 /nfs/dbraw/zinc/75/20/74/784752074.db2.gz VXUKOQMCRZMBBQ-ZFWWWQNUSA-N 0 0 306.358 2.122 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NCC[C@H]1CCCS1 ZINC000715966704 792540724 /nfs/dbraw/zinc/54/07/24/792540724.db2.gz KKVFCXLJVFUHKL-CYBMUJFWSA-N 0 0 310.444 2.431 10 30 DEEERN N#CC1(CS(=O)(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000800158203 799325402 /nfs/dbraw/zinc/32/54/02/799325402.db2.gz OCMYGCWTALWWHK-CYBMUJFWSA-N 0 0 310.806 2.030 10 30 DEEERN C=C(Br)Cn1cnc(C)c(Br)c1=O ZINC000085464113 1078623287 /nfs/dbraw/zinc/62/32/87/1078623287.db2.gz ANCPJDBCSBRXQY-UHFFFAOYSA-N 0 0 307.973 2.223 10 30 DEEERN C=CCC1(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)CCCC1 ZINC000451374078 1085602827 /nfs/dbraw/zinc/60/28/27/1085602827.db2.gz SNSGEAVCNQYHKH-KBXCAEBGSA-N 0 0 321.417 2.161 10 30 DEEERN C#CC1(O)CCN(C(=O)c2cscc2Br)CC1 ZINC000708100664 1086676695 /nfs/dbraw/zinc/67/66/95/1086676695.db2.gz MXKKLYIZNOBZIK-UHFFFAOYSA-N 0 0 314.204 2.111 10 30 DEEERN C#CC1(O)CCN(Cc2sccc2Br)CC1 ZINC000708122734 1086676981 /nfs/dbraw/zinc/67/69/81/1086676981.db2.gz VNSQMYQSRIEXMH-UHFFFAOYSA-N 0 0 300.221 2.471 10 30 DEEERN C[C@@H](CNS(=O)(=O)c1cc(F)cc(C#N)c1)CC(F)F ZINC000720077601 1089456785 /nfs/dbraw/zinc/45/67/85/1089456785.db2.gz DZXLIODQOFBRAN-MRVPVSSYSA-N 0 0 306.309 2.267 10 30 DEEERN CCC(C#N)(CC)C(=O)NCc1cn(C)nc1Br ZINC000720120910 1089481299 /nfs/dbraw/zinc/48/12/99/1089481299.db2.gz MLAUWNZIAYMESH-UHFFFAOYSA-N 0 0 313.199 2.129 10 30 DEEERN Cc1nc(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)no1 ZINC000074610562 185003160 /nfs/dbraw/zinc/00/31/60/185003160.db2.gz XZRLZKCXSBLJOC-UHFFFAOYSA-N 0 0 313.361 2.370 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(-c2ccncc2)nn1C ZINC000278330611 214095909 /nfs/dbraw/zinc/09/59/09/214095909.db2.gz KXVICRFBMIHDFD-CZUORRHYSA-N 0 0 312.373 2.402 10 30 DEEERN C=CCn1c(N2CCO[C@@H](CCF)C2)nnc1[C@]1(C)CCCO1 ZINC000624827569 365562498 /nfs/dbraw/zinc/56/24/98/365562498.db2.gz IYUCNILZUROBLV-BBRMVZONSA-N 0 0 324.400 2.055 10 30 DEEERN CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000076824834 185045107 /nfs/dbraw/zinc/04/51/07/185045107.db2.gz GSQDHYGAIYHPKO-AWEZNQCLSA-N 0 0 303.337 2.283 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000076853888 185047102 /nfs/dbraw/zinc/04/71/02/185047102.db2.gz JGLWPENIGVAXTQ-UHFFFAOYSA-N 0 0 314.382 2.371 10 30 DEEERN C=CCCCN(C)C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000076948133 185059807 /nfs/dbraw/zinc/05/98/07/185059807.db2.gz AAUGXSNEBJIDKR-UHFFFAOYSA-N 0 0 310.419 2.198 10 30 DEEERN CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@](C)(C#N)C2)c1 ZINC000612233441 361770023 /nfs/dbraw/zinc/77/00/23/361770023.db2.gz ROQPFOLIDHLQLU-INIZCTEOSA-N 0 0 320.414 2.246 10 30 DEEERN C=CCN(C(C)(C)C)S(=O)(=O)c1cc(CO)ccc1OC ZINC000162546926 197573738 /nfs/dbraw/zinc/57/37/38/197573738.db2.gz GSGJDOIDUQLPQK-UHFFFAOYSA-N 0 0 313.419 2.163 10 30 DEEERN C=CCOCCCNC(=O)C(=O)NC[C@H](C)C1CCCCC1 ZINC000612412937 361820202 /nfs/dbraw/zinc/82/02/02/361820202.db2.gz MJBHNYKABZKESS-AWEZNQCLSA-N 0 0 310.438 2.028 10 30 DEEERN C=C(C)CN(C)S(=O)(=O)C[C@H](Cc1ccc(F)cc1)OC ZINC000625113613 365646804 /nfs/dbraw/zinc/64/68/04/365646804.db2.gz HPQPNURAQCTZDW-HNNXBMFYSA-N 0 0 315.410 2.221 10 30 DEEERN N#CCOc1ccccc1C(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000163350997 197625358 /nfs/dbraw/zinc/62/53/58/197625358.db2.gz NHHUJZBFZBTKJV-HIFRSBDPSA-N 0 0 300.358 2.230 10 30 DEEERN C=CCN(CC(=O)Nc1ccc(C(=O)OC(C)C)cc1)C(C)=O ZINC000096775328 185387119 /nfs/dbraw/zinc/38/71/19/185387119.db2.gz QAAGKNULJCRMLO-UHFFFAOYSA-N 0 0 318.373 2.225 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000278563802 214241173 /nfs/dbraw/zinc/24/11/73/214241173.db2.gz QCAVUZVQFWZPEY-ZWNOBZJWSA-N 0 0 308.765 2.359 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCOC2(C1)CCCCCC2 ZINC000612472264 361837166 /nfs/dbraw/zinc/83/71/66/361837166.db2.gz NRLNALLWXJTXBU-MRXNPFEDSA-N 0 0 322.449 2.409 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1COc2ccc(C)cc21 ZINC000612469800 361837214 /nfs/dbraw/zinc/83/72/14/361837214.db2.gz GHKHOQWYSPSFNY-CABCVRRESA-N 0 0 302.374 2.016 10 30 DEEERN Cc1nc(-c2cccc(C#N)c2)nn1C[C@@H](O)COCC(C)C ZINC000152511271 282146970 /nfs/dbraw/zinc/14/69/70/282146970.db2.gz WRPITUTUTFGLNG-MRXNPFEDSA-N 0 0 314.389 2.159 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(-n2cnnc2C)c1 ZINC000278660816 214308556 /nfs/dbraw/zinc/30/85/56/214308556.db2.gz FGBNNQNDGGVOCQ-HZPDHXFCSA-N 0 0 312.373 2.495 10 30 DEEERN COc1cc(OC)c([N+](=O)[O-])cc1C=NNc1ccccn1 ZINC000082253137 185174653 /nfs/dbraw/zinc/17/46/53/185174653.db2.gz CHUOSVWSJBHQQH-CXUHLZMHSA-N 0 0 302.290 2.453 10 30 DEEERN N#Cc1cccc(NS(=O)(=O)N2CCOc3ccccc32)c1 ZINC000082339824 185176507 /nfs/dbraw/zinc/17/65/07/185176507.db2.gz IBMSPACMQXXOMI-UHFFFAOYSA-N 0 0 315.354 2.114 10 30 DEEERN CN1CCN([C@@H](C#N)c2cc(Br)cs2)CC1 ZINC000088045118 185237960 /nfs/dbraw/zinc/23/79/60/185237960.db2.gz XHOGYCKYBKTGHD-JTQLQIEISA-N 0 0 300.225 2.323 10 30 DEEERN CN[C@@](C)(C#N)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000088086805 185239415 /nfs/dbraw/zinc/23/94/15/185239415.db2.gz JKCXRAKFLOPWPZ-NSHDSACASA-N 0 0 314.139 2.238 10 30 DEEERN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(N)c(C(F)(F)F)c1 ZINC000088467250 185251899 /nfs/dbraw/zinc/25/18/99/185251899.db2.gz UJSHCNQSTZANQD-QMMMGPOBSA-N 0 0 307.297 2.331 10 30 DEEERN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(C(F)(F)F)cc1N ZINC000088467220 185251970 /nfs/dbraw/zinc/25/19/70/185251970.db2.gz WPOJTPZXRFSFBS-QMMMGPOBSA-N 0 0 307.297 2.331 10 30 DEEERN Cc1nn(C)c2sc(C(=O)N(CCC#N)C(C)C)c(N)c12 ZINC000088642182 185261044 /nfs/dbraw/zinc/26/10/44/185261044.db2.gz OUAZAFRBMXKOGB-UHFFFAOYSA-N 0 0 305.407 2.290 10 30 DEEERN C=C(C)CN(CC)S(=O)(=O)c1cc(CO)cc(F)c1C ZINC000088877387 185268151 /nfs/dbraw/zinc/26/81/51/185268151.db2.gz RCAUODKGUVWBAW-UHFFFAOYSA-N 0 0 301.383 2.213 10 30 DEEERN N#Cc1ccc(F)c(CS(=O)(=O)c2ccc(N)c(F)c2)c1 ZINC000166074777 197687532 /nfs/dbraw/zinc/68/75/32/197687532.db2.gz CLPMDYBGDLBKRV-UHFFFAOYSA-N 0 0 308.309 2.393 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc2c1OCCC2=O ZINC000613355418 362089544 /nfs/dbraw/zinc/08/95/44/362089544.db2.gz UNOULHLRYDSCMK-AWEZNQCLSA-N 0 0 316.357 2.061 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000625328627 365731400 /nfs/dbraw/zinc/73/14/00/365731400.db2.gz ZWKVNXYQCXTDQR-UHFFFAOYSA-N 0 0 324.402 2.012 10 30 DEEERN O=C(NCC#CCOc1cccnc1)c1c(F)cccc1F ZINC000090734090 185311733 /nfs/dbraw/zinc/31/17/33/185311733.db2.gz IHDDMCNBCYPWSZ-UHFFFAOYSA-N 0 0 302.280 2.172 10 30 DEEERN Cc1noc(C)c1CNC(=O)c1sccc1C#CCCO ZINC000092341617 185313370 /nfs/dbraw/zinc/31/33/70/185313370.db2.gz HFBWAOJVDBZRAM-UHFFFAOYSA-N 0 0 304.371 2.017 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNc1ccccc1F ZINC000613468558 362121903 /nfs/dbraw/zinc/12/19/03/362121903.db2.gz QHNIWANDIFKXAU-MRXNPFEDSA-N 0 0 321.396 2.215 10 30 DEEERN C=CCCCCNC(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000613595250 362157026 /nfs/dbraw/zinc/15/70/26/362157026.db2.gz JATZCQJOQZYWHO-NEPJUHHUSA-N 0 0 309.328 2.443 10 30 DEEERN CCc1nc(CN2CCN(Cc3ccc(C#N)o3)CC2)cs1 ZINC000092504812 185322929 /nfs/dbraw/zinc/32/29/29/185322929.db2.gz NXMHICQGQAHODB-UHFFFAOYSA-N 0 0 316.430 2.488 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)C1 ZINC000625356080 365745032 /nfs/dbraw/zinc/74/50/32/365745032.db2.gz ZNSAOMTXLVBZGG-STQMWFEESA-N 0 0 309.435 2.367 10 30 DEEERN CCc1nnc(C2CCN(C(=O)C3(C#N)CCCC3)CC2)[nH]1 ZINC000191569544 529731377 /nfs/dbraw/zinc/73/13/77/529731377.db2.gz UMDQIPSMMNNURQ-UHFFFAOYSA-N 0 0 301.394 2.157 10 30 DEEERN CCOCCOCC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000102745064 185420055 /nfs/dbraw/zinc/42/00/55/185420055.db2.gz DLCWWXXCRHMZNI-UHFFFAOYSA-N 0 0 314.288 2.151 10 30 DEEERN C=CCn1cc(CNC(=O)NCc2ccc(C(F)F)cc2)nn1 ZINC000425507334 334951965 /nfs/dbraw/zinc/95/19/65/334951965.db2.gz MHNWNBQNRJJJID-UHFFFAOYSA-N 0 0 321.331 2.401 10 30 DEEERN Cc1oc(NC(=O)CC2=CSC3=NCCN23)c(C#N)c1C ZINC000170574722 197779202 /nfs/dbraw/zinc/77/92/02/197779202.db2.gz AZCSPGNJFTXXNW-UHFFFAOYSA-N 0 0 302.359 2.357 10 30 DEEERN Cc1oc(NC(=O)[C@]2(C)CC(=O)N=C3C=CC=CN32)c(C#N)c1C ZINC000170575309 197779256 /nfs/dbraw/zinc/77/92/56/197779256.db2.gz YWOZMMJKULSBPI-KRWDZBQOSA-N 0 0 324.340 2.180 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](c2ccncc2)C1 ZINC000614818325 362469842 /nfs/dbraw/zinc/46/98/42/362469842.db2.gz MSKOMNUMPZLNJQ-SJORKVTESA-N 0 0 315.417 2.259 10 30 DEEERN CC(C)CCNC(=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000056540849 190684461 /nfs/dbraw/zinc/68/44/61/190684461.db2.gz RXFOINLIRWMZEH-UHFFFAOYSA-N 0 0 315.421 2.221 10 30 DEEERN CC(C)(C#N)CCN1CCCc2c(OCC(N)=O)cccc21 ZINC000451667763 534986680 /nfs/dbraw/zinc/98/66/80/534986680.db2.gz YQQOLDMQBRRVTH-UHFFFAOYSA-N 0 0 301.390 2.243 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC=C(c2ccccn2)C1 ZINC000615272976 362572750 /nfs/dbraw/zinc/57/27/50/362572750.db2.gz AOZWKJCCVCMRHR-QGZVFWFLSA-N 0 0 313.401 2.168 10 30 DEEERN CC(C)c1noc2ncc(C(=O)NC3(C#N)CCOCC3)cc21 ZINC000115467422 539442195 /nfs/dbraw/zinc/44/21/95/539442195.db2.gz BADNIXBAZZZEAL-UHFFFAOYSA-N 0 0 314.345 2.149 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000277862582 213822067 /nfs/dbraw/zinc/82/20/67/213822067.db2.gz ZJRCZNTWXAOAQN-ZDUSSCGKSA-N 0 0 308.381 2.411 10 30 DEEERN O=C(NCCc1ccccc1F)c1sccc1C#CCO ZINC000111531108 185610486 /nfs/dbraw/zinc/61/04/86/185610486.db2.gz OKLUDFFMUHTAEI-UHFFFAOYSA-N 0 0 303.358 2.204 10 30 DEEERN C=CCCCN(C)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000135256761 539513779 /nfs/dbraw/zinc/51/37/79/539513779.db2.gz CIJOEFCLPCUTRL-HNNXBMFYSA-N 0 0 307.438 2.385 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)CCCc1cccnc1 ZINC000616210348 362796822 /nfs/dbraw/zinc/79/68/22/362796822.db2.gz PCTLIGOLGNSWOF-WMLDXEAASA-N 0 0 317.433 2.380 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1F ZINC000616219171 362799247 /nfs/dbraw/zinc/79/92/47/362799247.db2.gz XLEPSVYWMQGWCA-NUEKZKHPSA-N 0 0 304.365 2.269 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC000616303087 362821248 /nfs/dbraw/zinc/82/12/48/362821248.db2.gz RURRJKAODCCOBH-ZACQAIPSSA-N 0 0 303.402 2.342 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)c1cnc2n1CCOC2 ZINC000616303259 362821261 /nfs/dbraw/zinc/82/12/61/362821261.db2.gz VCZCTCOWBZWOKP-HNNXBMFYSA-N 0 0 311.385 2.331 10 30 DEEERN COc1ncnc2c1[nH]c(=S)n2-c1ccc(F)cc1C#N ZINC000126685971 185884882 /nfs/dbraw/zinc/88/48/82/185884882.db2.gz HXRSTMDZTSNVEE-UHFFFAOYSA-N 0 0 301.306 2.124 10 30 DEEERN C[C@@H]1CSCCN1C(=O)c1ccc(C#CCCO)cc1F ZINC000070224070 190873807 /nfs/dbraw/zinc/87/38/07/190873807.db2.gz MYLKVIPETIRPEL-GFCCVEGCSA-N 0 0 307.390 2.137 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC000616505003 362876201 /nfs/dbraw/zinc/87/62/01/362876201.db2.gz FAZJVORDTWSTGP-ZOBUZTSGSA-N 0 0 301.386 2.079 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000182371522 539656700 /nfs/dbraw/zinc/65/67/00/539656700.db2.gz RBSUYJPOJPYRRR-UHFFFAOYSA-N 0 0 312.291 2.301 10 30 DEEERN CN(c1cccc(C#N)c1)S(=O)(=O)c1cnccc1Cl ZINC000071204746 190941850 /nfs/dbraw/zinc/94/18/50/190941850.db2.gz HVSZOJILWDHANR-UHFFFAOYSA-N 0 0 307.762 2.432 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)Nc2cc(CC)[nH]n2)c1 ZINC000190918693 539697486 /nfs/dbraw/zinc/69/74/86/539697486.db2.gz GTXJUBWQOLLCRR-UHFFFAOYSA-N 0 0 314.345 2.114 10 30 DEEERN N#Cc1cc2ccccc2nc1NC1CCS(=O)(=O)CC1 ZINC000071385787 190964836 /nfs/dbraw/zinc/96/48/36/190964836.db2.gz VWKQLKSOXNWATL-UHFFFAOYSA-N 0 0 301.371 2.096 10 30 DEEERN C=C1CCN(C(=O)[C@H](NC(=O)c2ccccn2)C(C)C)CC1 ZINC000595462659 358455496 /nfs/dbraw/zinc/45/54/96/358455496.db2.gz RLRHXFYCQNXFMS-OAHLLOKOSA-N 0 0 301.390 2.015 10 30 DEEERN CN(C)c1ccc2c(c1)[C@@H](C#N)N(CCc1nccs1)C2=O ZINC000071679167 191004816 /nfs/dbraw/zinc/00/48/16/191004816.db2.gz RKSJKGGQWFNJJA-CQSZACIVSA-N 0 0 312.398 2.472 10 30 DEEERN COc1cc2c(c(OC)c1)C(C#N)N(C1CCC(O)CC1)C2=O ZINC000071680710 191007052 /nfs/dbraw/zinc/00/70/52/191007052.db2.gz JKLAKTPQXOAJGE-MGULZYLOSA-N 0 0 316.357 2.028 10 30 DEEERN CN(CCS(=O)(=O)c1cccc(C#N)c1)CC1CCCC1 ZINC000147424375 186039534 /nfs/dbraw/zinc/03/95/34/186039534.db2.gz JRNYSFHUKPGBFP-UHFFFAOYSA-N 0 0 306.431 2.454 10 30 DEEERN CC(C)CCCCNS(=O)(=O)c1ccc(C#CCO)cc1 ZINC000147801253 186041793 /nfs/dbraw/zinc/04/17/93/186041793.db2.gz IBIBNLNLVLOHSZ-UHFFFAOYSA-N 0 0 309.431 2.135 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NN1[C@H](C)CCC[C@H]1C ZINC000147792019 186041885 /nfs/dbraw/zinc/04/18/85/186041885.db2.gz UUHGJQRJEXJIRH-CHWSQXEVSA-N 0 0 307.419 2.323 10 30 DEEERN CCOC(=O)c1c(N)n(-c2ccc(C#N)cc2)nc1SC ZINC000149325379 186049299 /nfs/dbraw/zinc/04/92/99/186049299.db2.gz FQZZGRJUUIWSJW-UHFFFAOYSA-N 0 0 302.359 2.225 10 30 DEEERN CCc1ccc(C(=O)NC2(C#N)CCCC2)cc1S(C)(=O)=O ZINC000152583675 186087272 /nfs/dbraw/zinc/08/72/72/186087272.db2.gz OIFUNYILVUHZOS-UHFFFAOYSA-N 0 0 320.414 2.219 10 30 DEEERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCCCCC#N)C1 ZINC000171504758 186170113 /nfs/dbraw/zinc/17/01/13/186170113.db2.gz DJGMSTNCTPNEHK-ZDUSSCGKSA-N 0 0 309.410 2.444 10 30 DEEERN COC(=O)[C@H]1CCN(Cc2cc(C#N)ccc2OC)C[C@@H]1C ZINC000191835731 186261152 /nfs/dbraw/zinc/26/11/52/186261152.db2.gz DGFNGPINZWQJGA-WFASDCNBSA-N 0 0 302.374 2.198 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cnc2n(c1=O)CCS2 ZINC000617036823 363007062 /nfs/dbraw/zinc/00/70/62/363007062.db2.gz FPHFUNHUNGAZSJ-AAEUAGOBSA-N 0 0 319.430 2.214 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000617043763 363007678 /nfs/dbraw/zinc/00/76/78/363007678.db2.gz DRVYCJHOWIBPBV-KGLIPLIRSA-N 0 0 317.433 2.388 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000617044400 363007733 /nfs/dbraw/zinc/00/77/33/363007733.db2.gz MYOUSARRHDUFMG-HZSPNIEDSA-N 0 0 302.422 2.171 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CNc1ccccc1C(N)=O ZINC000617042195 363007812 /nfs/dbraw/zinc/00/78/12/363007812.db2.gz OPOUJVDHTQYJMA-UKRRQHHQSA-N 0 0 315.417 2.449 10 30 DEEERN C=CCCC1(CNC(=O)[C@@H](NC(=O)COC)C(C)C)CCCC1 ZINC000617417140 363127420 /nfs/dbraw/zinc/12/74/20/363127420.db2.gz NFPNNXZCTNMGMJ-INIZCTEOSA-N 0 0 324.465 2.416 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328692679 539909868 /nfs/dbraw/zinc/90/98/68/539909868.db2.gz FIHKFQYPPCEXNH-YHUYYLMFSA-N 0 0 314.389 2.498 10 30 DEEERN Cc1cn2c(n1)[C@@H](CNC(=O)c1cnn3cccnc13)CCC2 ZINC000328821931 539911230 /nfs/dbraw/zinc/91/12/30/539911230.db2.gz PBLDIDSRBRBGFS-GFCCVEGCSA-N 0 0 310.361 2.116 10 30 DEEERN Cc1cn2c(n1)[C@@H](CNC([O-])=[NH+]CCc1cscn1)CCC2 ZINC000328657405 539909356 /nfs/dbraw/zinc/90/93/56/539909356.db2.gz OXYYJFUILNLMLG-GFCCVEGCSA-N 0 0 319.434 2.272 10 30 DEEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCSCC1)C2 ZINC000329055896 539913759 /nfs/dbraw/zinc/91/37/59/539913759.db2.gz ICYSHCMSYUUUQJ-LBPRGKRZSA-N 0 0 322.478 2.458 10 30 DEEERN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CC2(C1)CCCOC2 ZINC000329543889 539922167 /nfs/dbraw/zinc/92/21/67/539922167.db2.gz ODVJKPZLFGWEKU-ZNMIVQPWSA-N 0 0 320.433 2.361 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc(C(=O)OC)c(C)c1 ZINC000173178966 198193054 /nfs/dbraw/zinc/19/30/54/198193054.db2.gz QWHAZUAKJDWEEJ-UHFFFAOYSA-N 0 0 311.403 2.368 10 30 DEEERN C[C@@]12CN(S(=O)(=O)c3cccnc3C#N)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333130335 539949495 /nfs/dbraw/zinc/94/94/95/539949495.db2.gz WVDQQDWEYJINRG-DVZHBHJUSA-N 0 0 317.414 2.010 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N(C)C[C@@H]1CCCO1 ZINC000173784030 198251491 /nfs/dbraw/zinc/25/14/91/198251491.db2.gz OWVDCQQLZVLAGW-ZDUSSCGKSA-N 0 0 306.337 2.480 10 30 DEEERN C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)C1CCCC1 ZINC000175985753 198533390 /nfs/dbraw/zinc/53/33/90/198533390.db2.gz GMXDATCZKGQGSB-JTQLQIEISA-N 0 0 303.337 2.331 10 30 DEEERN COC(=O)CCC(C#N)(CCC(=O)OC)c1cccc(OC)c1 ZINC000032211020 354144590 /nfs/dbraw/zinc/14/45/90/354144590.db2.gz WUWFISFLQSIBDZ-UHFFFAOYSA-N 0 0 319.357 2.363 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)cn3)cc2C1=O ZINC000047220931 354310627 /nfs/dbraw/zinc/31/06/27/354310627.db2.gz CBAHCIBFXQNJQH-UHFFFAOYSA-N 0 0 321.336 2.424 10 30 DEEERN Ic1ccc(C#Cc2ccccc2)nn1 ZINC000098177904 283040457 /nfs/dbraw/zinc/04/04/57/283040457.db2.gz HBKQGSVRBWYQAL-UHFFFAOYSA-N 0 0 306.106 2.481 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000618274249 363442337 /nfs/dbraw/zinc/44/23/37/363442337.db2.gz OQOVDMCHKAXFBQ-LAQFHYBYSA-N 0 0 319.401 2.349 10 30 DEEERN C=CCN(Cc1ccccc1)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000075660976 355100595 /nfs/dbraw/zinc/10/05/95/355100595.db2.gz PENMCLXRKOLKKY-GJZGRUSLSA-N 0 0 324.446 2.029 10 30 DEEERN N#Cc1cccc(C(=O)N2CCN3c4ccccc4C[C@H]3C2)c1 ZINC000074775587 191359045 /nfs/dbraw/zinc/35/90/45/191359045.db2.gz PBFDYJVYGYUJRO-KRWDZBQOSA-N 0 0 303.365 2.445 10 30 DEEERN N#Cc1cc(N2CCC[C@@]3(CNC(=O)C3)C2)nc2ccccc12 ZINC000078569373 355268463 /nfs/dbraw/zinc/26/84/63/355268463.db2.gz BVQGCJATOBBLRP-GOSISDBHSA-N 0 0 306.369 2.213 10 30 DEEERN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC3CC(C)C3)C2)n1 ZINC000080041573 355343142 /nfs/dbraw/zinc/34/31/42/355343142.db2.gz PORVXMCACROORD-DSSZZKGTSA-N 0 0 312.417 2.393 10 30 DEEERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CCO[C@H](C#N)C2)cc1 ZINC000080081457 355346051 /nfs/dbraw/zinc/34/60/51/355346051.db2.gz CWMOXNLRHAWQAU-IKGGRYGDSA-N 0 0 314.385 2.214 10 30 DEEERN N#Cc1cc(N2CCC[C@@]3(CCCOC3)C2)cc(N)c1[N+](=O)[O-] ZINC000408103461 283103393 /nfs/dbraw/zinc/10/33/93/283103393.db2.gz ANJPSQKTBAABIK-MRXNPFEDSA-N 0 0 316.361 2.446 10 30 DEEERN CCOc1nc(C(=O)N[C@H](C)c2ccccc2)cc(N)c1C#N ZINC000115332340 355767321 /nfs/dbraw/zinc/76/73/21/355767321.db2.gz UXZUEDFBNAETPP-LLVKDONJSA-N 0 0 310.357 2.425 10 30 DEEERN N#CC1(NC(=O)CCCC(=O)NC2(C#N)CCCC2)CCCC1 ZINC000124809341 355810736 /nfs/dbraw/zinc/81/07/36/355810736.db2.gz DMVIIEONGHHBPI-UHFFFAOYSA-N 0 0 316.405 2.062 10 30 DEEERN Cc1ccc(-c2nc(C(=O)N[C@@H](C#N)C3CC3)cs2)n1C ZINC000132559405 355852078 /nfs/dbraw/zinc/85/20/78/355852078.db2.gz LYSQTROQWBEOEM-NSHDSACASA-N 0 0 300.387 2.489 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1c(F)cccc1OC ZINC000179906610 356036826 /nfs/dbraw/zinc/03/68/26/356036826.db2.gz UOONLSLDGTULJG-CHWSQXEVSA-N 0 0 321.396 2.493 10 30 DEEERN C[C@@H](NC(=O)NCCCCC#N)c1ccc(-n2ccnn2)cc1 ZINC000179131705 356014974 /nfs/dbraw/zinc/01/49/74/356014974.db2.gz KTTCUVXCMVWOBF-CYBMUJFWSA-N 0 0 312.377 2.321 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000182481218 356128699 /nfs/dbraw/zinc/12/86/99/356128699.db2.gz BRKYVIGNJFOJBC-UHFFFAOYSA-N 0 0 315.760 2.415 10 30 DEEERN N#CCN(C1CCCC1)S(=O)(=O)c1cccc(F)c1C#N ZINC000080214214 192012356 /nfs/dbraw/zinc/01/23/56/192012356.db2.gz YTYNEPUYZVUCSR-UHFFFAOYSA-N 0 0 307.350 2.154 10 30 DEEERN COc1ccnc(N2CCN([C@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000182738176 356142957 /nfs/dbraw/zinc/14/29/57/356142957.db2.gz AMGVXLSYAZDUDN-CQSZACIVSA-N 0 0 323.400 2.240 10 30 DEEERN N#Cc1cc(C(=O)N2CC[C@@]3(C2)OCc2ccccc23)ccn1 ZINC000193851430 356231373 /nfs/dbraw/zinc/23/13/73/356231373.db2.gz QYEBLLYRBIGPCM-SFHVURJKSA-N 0 0 305.337 2.225 10 30 DEEERN N#Cc1ccc(CCC(=O)NCc2ccc(CO)c(F)c2)cc1 ZINC000194217149 356236447 /nfs/dbraw/zinc/23/64/47/356236447.db2.gz PZSIDQYBSJLCEE-UHFFFAOYSA-N 0 0 312.344 2.439 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCC1(c2ccccc2OC)CCC1 ZINC000185202420 356203634 /nfs/dbraw/zinc/20/36/34/356203634.db2.gz ZYAJAQIDLVYWPZ-CQSZACIVSA-N 0 0 318.417 2.353 10 30 DEEERN C[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc2c(c1)OCCO2 ZINC000080943260 192204415 /nfs/dbraw/zinc/20/44/15/192204415.db2.gz DQIBJSNSXOIFAW-NSHDSACASA-N 0 0 311.341 2.159 10 30 DEEERN N#Cc1ccc(N2CCC[C@H]3C(=O)NC[C@H]32)c(Br)c1 ZINC000225576198 283159985 /nfs/dbraw/zinc/15/99/85/283159985.db2.gz VQGLTLVGZLUQFR-ZWNOBZJWSA-N 0 0 320.190 2.036 10 30 DEEERN COC(=O)c1ccc(I)c(C#N)c1F ZINC000306605616 356404941 /nfs/dbraw/zinc/40/49/41/356404941.db2.gz QADXMUZENVEXRB-UHFFFAOYSA-N 0 0 305.046 2.089 10 30 DEEERN Cc1cc(I)ccc1NC(=O)CS ZINC000307627684 356409606 /nfs/dbraw/zinc/40/96/06/356409606.db2.gz LLPGHPSQLUVFJM-UHFFFAOYSA-N 0 0 307.156 2.468 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)CCc3ccco3)C2)n1 ZINC000328609098 356459831 /nfs/dbraw/zinc/45/98/31/356459831.db2.gz CGHXYVLXNPVEMI-CYBMUJFWSA-N 0 0 316.361 2.490 10 30 DEEERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC(C)(C)OC1=O ZINC000328631429 356464791 /nfs/dbraw/zinc/46/47/91/356464791.db2.gz QXEBSZOAAWUQRO-NQBHXWOUSA-N 0 0 321.377 2.031 10 30 DEEERN Cc1nc(CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)cs1 ZINC000328622263 356461681 /nfs/dbraw/zinc/46/16/81/356461681.db2.gz IJHCAKBHTDIKBR-SNVBAGLBSA-N 0 0 306.391 2.194 10 30 DEEERN CCn1cc(NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)cn1 ZINC000328624362 356462629 /nfs/dbraw/zinc/46/26/29/356462629.db2.gz JTZPLSUMOVTMAX-TZMCWYRMSA-N 0 0 303.366 2.485 10 30 DEEERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc(C#N)cn1C ZINC000081535248 192284919 /nfs/dbraw/zinc/28/49/19/192284919.db2.gz NTSGNGJIUYVMSZ-DYVFJYSZSA-N 0 0 309.369 2.499 10 30 DEEERN COc1ccc2c(c1)N(C(=O)c1cc(C#N)cn1C)C[C@@H](C)O2 ZINC000081549000 192289610 /nfs/dbraw/zinc/28/96/10/192289610.db2.gz NEJQOPPDHVONDC-LLVKDONJSA-N 0 0 311.341 2.333 10 30 DEEERN Cc1ccc(NC(=O)c2cc(C#N)cn2C)cc1C(=O)N(C)C ZINC000081619987 192303720 /nfs/dbraw/zinc/30/37/20/192303720.db2.gz FAOXURYYNAVJJM-UHFFFAOYSA-N 0 0 310.357 2.159 10 30 DEEERN Cc1ccc(Cn2nccc2NC(=O)c2cc(C#N)cn2C)o1 ZINC000081728594 192318257 /nfs/dbraw/zinc/31/82/57/192318257.db2.gz HYZZIVHSOSUMRJ-UHFFFAOYSA-N 0 0 309.329 2.295 10 30 DEEERN C=CCOCCCNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000618515595 363512839 /nfs/dbraw/zinc/51/28/39/363512839.db2.gz DOGPASPVXXEJTD-UHFFFAOYSA-N 0 0 316.401 2.263 10 30 DEEERN C=CCOCCCNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1 ZINC000618514286 363512891 /nfs/dbraw/zinc/51/28/91/363512891.db2.gz GRTAXDOBDTVUCY-UHFFFAOYSA-N 0 0 315.373 2.399 10 30 DEEERN C=CCOCCCNC(=O)Cc1c[nH]c2ccc(OC)cc12 ZINC000618520430 363514411 /nfs/dbraw/zinc/51/44/11/363514411.db2.gz DQTAHUWNVWEGAR-UHFFFAOYSA-N 0 0 302.374 2.428 10 30 DEEERN C=CCOCCCNC(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000618522647 363514440 /nfs/dbraw/zinc/51/44/40/363514440.db2.gz OOCNXDVELFOETO-HNNXBMFYSA-N 0 0 302.418 2.142 10 30 DEEERN C=CCOCCCNC(=O)c1nnn(-c2ccc(C)cc2)c1C ZINC000618520363 363514801 /nfs/dbraw/zinc/51/48/01/363514801.db2.gz BANMDTOGSRAYML-UHFFFAOYSA-N 0 0 314.389 2.207 10 30 DEEERN C=CCOCCCNC(=O)c1sc(-c2cnn(C)c2)nc1C ZINC000618523372 363515929 /nfs/dbraw/zinc/51/59/29/363515929.db2.gz FVVXAOZBSHNISD-UHFFFAOYSA-N 0 0 320.418 2.175 10 30 DEEERN N#Cc1ccc(NCC[C@@]2(O)CCOC2)c(Br)c1 ZINC000404164405 356731426 /nfs/dbraw/zinc/73/14/26/356731426.db2.gz NDCWKHFGIBEBJV-CYBMUJFWSA-N 0 0 311.179 2.274 10 30 DEEERN C=C(C)Cn1c(N2CC(C)(OC)C2)nnc1[C@]1(C)CCCO1 ZINC000573417500 356749234 /nfs/dbraw/zinc/74/92/34/356749234.db2.gz QWQFTBJHQLYYMI-INIZCTEOSA-N 0 0 306.410 2.105 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1nc(C2CCOCC2)cs1 ZINC000287555843 219583980 /nfs/dbraw/zinc/58/39/80/219583980.db2.gz XNIBUPHYESKWJI-LLVKDONJSA-N 0 0 311.407 2.096 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ncc2cc(Cl)ccn21 ZINC000579857767 357045104 /nfs/dbraw/zinc/04/51/04/357045104.db2.gz HQCFFHZIEZLGLS-GWCFXTLKSA-N 0 0 305.765 2.309 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000580842272 357089148 /nfs/dbraw/zinc/08/91/48/357089148.db2.gz AVFQGJQOMOELHE-UHFFFAOYSA-N 0 0 315.417 2.480 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cnc(C)nc1C1CC1 ZINC000580842300 357089409 /nfs/dbraw/zinc/08/94/09/357089409.db2.gz BVRLECJAAHPOLX-UHFFFAOYSA-N 0 0 316.405 2.464 10 30 DEEERN C=CCn1cc(CNC(=O)N(C)Cc2ccc(F)cc2C)nn1 ZINC000581604245 357214614 /nfs/dbraw/zinc/21/46/14/357214614.db2.gz WFXOLEDVUCSVGZ-UHFFFAOYSA-N 0 0 317.368 2.253 10 30 DEEERN C=CCCCCCNC(=O)N[C@@H](C)C(=O)NCc1ccco1 ZINC000584788653 357309999 /nfs/dbraw/zinc/30/99/99/357309999.db2.gz OPIWUFJSTJYLHW-ZDUSSCGKSA-N 0 0 307.394 2.330 10 30 DEEERN CC(C)[C@H](C)NC(=O)C1CCN(c2ccnc(C#N)c2)CC1 ZINC000587622485 357381540 /nfs/dbraw/zinc/38/15/40/357381540.db2.gz IYGRJHYGUCPBTJ-ZDUSSCGKSA-N 0 0 300.406 2.330 10 30 DEEERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000590772216 357607983 /nfs/dbraw/zinc/60/79/83/357607983.db2.gz VHEYCSKQUIIOOL-QRTARXTBSA-N 0 0 311.385 2.163 10 30 DEEERN C=CCSCCNS(=O)(=O)CCCC1CCOCC1 ZINC000592019243 357816821 /nfs/dbraw/zinc/81/68/21/357816821.db2.gz BVOYJSKYHNRFKQ-UHFFFAOYSA-N 0 0 307.481 2.032 10 30 DEEERN C=CCCOCC(=O)N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000592817129 357950345 /nfs/dbraw/zinc/95/03/45/357950345.db2.gz QPUXNPRDVJADHC-UONOGXRCSA-N 0 0 311.422 2.405 10 30 DEEERN C=CCCOCCNC(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000593108752 358012567 /nfs/dbraw/zinc/01/25/67/358012567.db2.gz ZQKLDIPHLPTESK-UONOGXRCSA-N 0 0 311.422 2.453 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)C1(C(=O)OC)CC1 ZINC000594435302 358269708 /nfs/dbraw/zinc/26/97/08/358269708.db2.gz AUCOVKUMDOICSW-UHFFFAOYSA-N 0 0 319.313 2.224 10 30 DEEERN C=CCCn1cc(CSCc2nnnn2CCCC)nn1 ZINC000594554299 358293167 /nfs/dbraw/zinc/29/31/67/358293167.db2.gz YEXFENZGLLMPGA-UHFFFAOYSA-N 0 0 307.427 2.074 10 30 DEEERN C=CCCn1cc(CSCC(=O)NCc2ccccc2)nn1 ZINC000594563652 358294231 /nfs/dbraw/zinc/29/42/31/358294231.db2.gz BIDVJFOMOFIMTN-UHFFFAOYSA-N 0 0 316.430 2.404 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000180845506 199217160 /nfs/dbraw/zinc/21/71/60/199217160.db2.gz SYRQGNLRNBMKTO-MRXNPFEDSA-N 0 0 315.417 2.302 10 30 DEEERN C=CC[C@@H]1N(C(=O)C(=O)N2CC[C@](C)(C#N)C2)CCCC1(C)C ZINC000595183637 358399135 /nfs/dbraw/zinc/39/91/35/358399135.db2.gz PLMVQCSIDWZWQL-KBXCAEBGSA-N 0 0 317.433 2.342 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000595374187 358434395 /nfs/dbraw/zinc/43/43/95/358434395.db2.gz ZVMBLMAMJFVSOB-OKILXGFUSA-N 0 0 321.398 2.345 10 30 DEEERN C=CCOCCCNC(=O)NC1CCC(C(=O)OCC)CC1 ZINC000595767989 358544401 /nfs/dbraw/zinc/54/44/01/358544401.db2.gz VTCJKLXULMOMTR-UHFFFAOYSA-N 0 0 312.410 2.000 10 30 DEEERN C=CCOCCCNC(=O)N[C@@H]1CCC[C@]1(C)C(=O)OCC ZINC000595767600 358544537 /nfs/dbraw/zinc/54/45/37/358544537.db2.gz QDOQGYRQGADMEL-CJNGLKHVSA-N 0 0 312.410 2.000 10 30 DEEERN C=C(CC)CNC(=O)N1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000596617570 358725265 /nfs/dbraw/zinc/72/52/65/358725265.db2.gz GHZKQTIKLKWGCE-MNOVXSKESA-N 0 0 322.327 2.336 10 30 DEEERN C=C(C)CCNC(=O)N1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000596614629 358725315 /nfs/dbraw/zinc/72/53/15/358725315.db2.gz WFCYDZPNWVWBML-MNOVXSKESA-N 0 0 322.327 2.336 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@H](C)O[C@H](C(=O)OC)C1 ZINC000596661858 358734830 /nfs/dbraw/zinc/73/48/30/358734830.db2.gz LSPPRBHDCUSODN-XGUBFFRZSA-N 0 0 324.421 2.093 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCCCSC ZINC000597293618 358881087 /nfs/dbraw/zinc/88/10/87/358881087.db2.gz YAYLCBFXDRFUCL-UONOGXRCSA-N 0 0 312.479 2.497 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCSCC(C)C ZINC000597443730 358918439 /nfs/dbraw/zinc/91/84/39/358918439.db2.gz XPPLDDVGIVPLMN-CQSZACIVSA-N 0 0 300.468 2.353 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](SC)C(C)(C)C ZINC000597493730 358932758 /nfs/dbraw/zinc/93/27/58/358932758.db2.gz DEYSZILGYGWGLN-STQMWFEESA-N 0 0 300.468 2.351 10 30 DEEERN C=C[C@H](O)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000597528152 358942010 /nfs/dbraw/zinc/94/20/10/358942010.db2.gz RWCYLLDBDOSPLT-MQYQWHSLSA-N 0 0 309.406 2.035 10 30 DEEERN C=CCC[C@H](NC(=O)c1cc(C(=O)OC)oc1C)C(=O)OCC ZINC000597733385 358993116 /nfs/dbraw/zinc/99/31/16/358993116.db2.gz TVNFGFJTPYAWRS-LBPRGKRZSA-N 0 0 323.345 2.002 10 30 DEEERN C=CCOCCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000598208257 359122698 /nfs/dbraw/zinc/12/26/98/359122698.db2.gz LBPRNCMICVOOJH-LSDHHAIUSA-N 0 0 304.346 2.407 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000598421879 359194522 /nfs/dbraw/zinc/19/45/22/359194522.db2.gz NQZQEJCFFWGGKV-TXEJJXNPSA-N 0 0 304.350 2.236 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(Cc2ccc(C)cc2)C1 ZINC000618896667 363628580 /nfs/dbraw/zinc/62/85/80/363628580.db2.gz OYTYZMMGXJHGMD-GOSISDBHSA-N 0 0 314.429 2.467 10 30 DEEERN N#Cc1ccc(CS(=O)(=O)NCC[C@@H]2CC2(F)F)cc1 ZINC000598620486 359262401 /nfs/dbraw/zinc/26/24/01/359262401.db2.gz BBYKQFFIJGGVPU-GFCCVEGCSA-N 0 0 300.330 2.023 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000598801181 359329011 /nfs/dbraw/zinc/32/90/11/359329011.db2.gz JIEDDDPGZARCLR-CYBMUJFWSA-N 0 0 321.333 2.013 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000598825223 359335533 /nfs/dbraw/zinc/33/55/33/359335533.db2.gz YBHCLTIWZLJQNY-CABCVRRESA-N 0 0 319.792 2.492 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)CC1(C(=O)OC)CCCC1 ZINC000599361225 359476681 /nfs/dbraw/zinc/47/66/81/359476681.db2.gz RYMBVORQQCISIK-UHFFFAOYSA-N 0 0 317.451 2.242 10 30 DEEERN C=CCC[C@@H](NC(=O)c1cc(C)c(C(=O)OC)o1)C(=O)OCC ZINC000599995894 359631053 /nfs/dbraw/zinc/63/10/53/359631053.db2.gz GFWRYNVTXQCRAH-LLVKDONJSA-N 0 0 323.345 2.002 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cnc(C(=O)OC(C)(C)C)cn2)C1 ZINC000600214723 359692137 /nfs/dbraw/zinc/69/21/37/359692137.db2.gz ZGUSTOLQFBYPLR-LBPRGKRZSA-N 0 0 317.389 2.470 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC000627640768 366575619 /nfs/dbraw/zinc/57/56/19/366575619.db2.gz HUWOAOILHMDGKG-CFVMTHIKSA-N 0 0 305.349 2.227 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1cc(C)n([C@H]2CCOC2)c1C ZINC000627679509 366589572 /nfs/dbraw/zinc/58/95/72/366589572.db2.gz NHNAGYAJFATOIM-GJZGRUSLSA-N 0 0 306.406 2.123 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000188448943 200248492 /nfs/dbraw/zinc/24/84/92/200248492.db2.gz ORAYQMWJFYGVKU-CXAGYDPISA-N 0 0 320.437 2.061 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000627687784 366592697 /nfs/dbraw/zinc/59/26/97/366592697.db2.gz YMDNCHYTAPKLLZ-UHFFFAOYSA-N 0 0 318.421 2.431 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccnn2CCC(C)C)C1 ZINC000627733893 366603217 /nfs/dbraw/zinc/60/32/17/366603217.db2.gz GTKOQWDJSKJCAX-AWEZNQCLSA-N 0 0 318.421 2.292 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCOC3)C1 ZINC000627733485 366603307 /nfs/dbraw/zinc/60/33/07/366603307.db2.gz VYYLVEICCXUIJQ-CYBMUJFWSA-N 0 0 314.385 2.122 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccn3cc(C)nc3c2)C1 ZINC000627733001 366603603 /nfs/dbraw/zinc/60/36/03/366603603.db2.gz IWZGKGCWMHWDBW-CYBMUJFWSA-N 0 0 312.373 2.006 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cccnc2OC(C)C)C1 ZINC000627735677 366604445 /nfs/dbraw/zinc/60/44/45/366604445.db2.gz YMXAQYYLUIMFMK-ZDUSSCGKSA-N 0 0 317.389 2.232 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(OC)c2)C1 ZINC000627734495 366604891 /nfs/dbraw/zinc/60/48/91/366604891.db2.gz VCFDNDAWFKGDGD-LLVKDONJSA-N 0 0 306.337 2.197 10 30 DEEERN C=C(C)C[C@@H](Nc1cc(C)nc(-c2ccncc2)n1)C(=O)OC ZINC000601227753 359973850 /nfs/dbraw/zinc/97/38/50/359973850.db2.gz RPOAHKFXUSCCML-CQSZACIVSA-N 0 0 312.373 2.189 10 30 DEEERN C=CCOCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601418972 360035807 /nfs/dbraw/zinc/03/58/07/360035807.db2.gz DBLGVQJFZAJKAU-UHFFFAOYSA-N 0 0 304.346 2.335 10 30 DEEERN CO[C@H]1C[C@H](c2nc(C)no2)N(c2cccc(F)c2C#N)C1 ZINC000189140236 200354804 /nfs/dbraw/zinc/35/48/04/200354804.db2.gz KRTDKRQPDGVPJD-IINYFYTJSA-N 0 0 302.309 2.355 10 30 DEEERN C=C(C)CCNC(=O)N1CCC(c2cc(C(=O)OC)on2)CC1 ZINC000601614337 360088218 /nfs/dbraw/zinc/08/82/18/360088218.db2.gz YTAZQFFUIXWKOX-UHFFFAOYSA-N 0 0 321.377 2.316 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C(=O)OC)nn1C ZINC000601664564 360104905 /nfs/dbraw/zinc/10/49/05/360104905.db2.gz NMHWXDWUXGNPBX-NEPJUHHUSA-N 0 0 305.378 2.071 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H](C)OCc1ccccc1)C(=O)OC ZINC000601778669 360144634 /nfs/dbraw/zinc/14/46/34/360144634.db2.gz OSSVSVTWXROBGS-ZFWWWQNUSA-N 0 0 305.374 2.216 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)C(=O)OC ZINC000601780345 360144667 /nfs/dbraw/zinc/14/46/67/360144667.db2.gz XEILHSGRKBBVDI-IUODEOHRSA-N 0 0 321.373 2.087 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(C)c(C(C)=O)c1)C(=O)OC ZINC000601781559 360145412 /nfs/dbraw/zinc/14/54/12/360145412.db2.gz JKWONSXNQDSETM-OAHLLOKOSA-N 0 0 303.358 2.435 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cccc2oc(C)nc21)C(=O)OC ZINC000601781015 360145459 /nfs/dbraw/zinc/14/54/59/360145459.db2.gz FKDWAERBTYYCMP-LBPRGKRZSA-N 0 0 302.330 2.374 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc2nc(C)oc2c1)C(=O)OC ZINC000601782524 360146735 /nfs/dbraw/zinc/14/67/35/360146735.db2.gz PUXCFZUKMMOUQP-CYBMUJFWSA-N 0 0 302.330 2.374 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cc1nsc2ccccc12)C(=O)OC ZINC000601783336 360148053 /nfs/dbraw/zinc/14/80/53/360148053.db2.gz BHCZHMKJPQLWKQ-ZDUSSCGKSA-N 0 0 318.398 2.463 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H](OCC)c1ccccc1)C(=O)OC ZINC000601785304 360148428 /nfs/dbraw/zinc/14/84/28/360148428.db2.gz LRSGCFVCROTUPO-CABCVRRESA-N 0 0 305.374 2.388 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCc1cccc(N(C)C)c1)C(=O)OC ZINC000601785497 360148655 /nfs/dbraw/zinc/14/86/55/360148655.db2.gz BLKYLFXENZAFSZ-MRXNPFEDSA-N 0 0 318.417 2.309 10 30 DEEERN C=C(C)C[C@@H](NC(=O)C[C@H]1OCc2ccccc21)C(=O)OC ZINC000601785805 360148939 /nfs/dbraw/zinc/14/89/39/360148939.db2.gz VBOGZGVNWFJYOW-HUUCEWRRSA-N 0 0 303.358 2.272 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1CCc2cc(F)ccc21)C(=O)OC ZINC000601786382 360149410 /nfs/dbraw/zinc/14/94/10/360149410.db2.gz XSABTWLLIOJRKS-HUUCEWRRSA-N 0 0 305.349 2.480 10 30 DEEERN C=C(C)C[C@@H](NC(=O)C[C@@H](C)c1c(C)noc1C)C(=O)OC ZINC000601788492 360150571 /nfs/dbraw/zinc/15/05/71/360150571.db2.gz UVKZKFCDWHHCBP-ZWNOBZJWSA-N 0 0 308.378 2.409 10 30 DEEERN C=CCCC1(CNC(=O)c2cc(C(=O)OC)nn2C)CCCC1 ZINC000601666163 360105958 /nfs/dbraw/zinc/10/59/58/360105958.db2.gz LZIPWFZEGXWPNJ-UHFFFAOYSA-N 0 0 319.405 2.463 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000602284339 360329770 /nfs/dbraw/zinc/32/97/70/360329770.db2.gz WMVXVNMOJAVUNO-UHFFFAOYSA-N 0 0 313.401 2.087 10 30 DEEERN C=C(CNC(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O)c1ccccc1 ZINC000602312301 360337941 /nfs/dbraw/zinc/33/79/41/360337941.db2.gz BUCPAGHBTWCMLH-VVBPWWLESA-N 0 0 318.442 2.395 10 30 DEEERN C[C@H]1OCC[C@@H]1S(=O)(=O)Oc1ccc(C#N)c(Cl)c1 ZINC000190545920 200554762 /nfs/dbraw/zinc/55/47/62/200554762.db2.gz OFSUNQYCBAACDJ-PELKAZGASA-N 0 0 301.751 2.098 10 30 DEEERN C=CCNC(=O)CNC(=O)Nc1ccccc1CCSC ZINC000603100255 360700822 /nfs/dbraw/zinc/70/08/22/360700822.db2.gz VIGHPGBWJIGMRI-UHFFFAOYSA-N 0 0 307.419 2.016 10 30 DEEERN C=CCC1(NC(=O)Nc2ccc(C(=O)OC)nc2)CCOCC1 ZINC000603136114 360715644 /nfs/dbraw/zinc/71/56/44/360715644.db2.gz HMFZJSGZUDWOBF-UHFFFAOYSA-N 0 0 319.361 2.115 10 30 DEEERN C=CCOCCn1c(=O)sc2c1[C@@H](C(=O)OCC)CCC2 ZINC000603351664 360803367 /nfs/dbraw/zinc/80/33/67/360803367.db2.gz CUTZVPFBOUWHCL-NSHDSACASA-N 0 0 311.403 2.095 10 30 DEEERN C=CCCC(=O)Cn1c(=O)sc2c1[C@@H](C(=O)OCC)CCC2 ZINC000603352229 360803604 /nfs/dbraw/zinc/80/36/04/360803604.db2.gz GYSJNZGJIXYZFI-LBPRGKRZSA-N 0 0 323.414 2.428 10 30 DEEERN CSc1nc2n(n1)[C@H](c1cc[nH]c1)C1C(=O)CCCC1=N2 ZINC000006259817 181323360 /nfs/dbraw/zinc/32/33/60/181323360.db2.gz LAPYBGDWVNSYMG-GFCCVEGCSA-N 0 0 301.375 2.350 10 30 DEEERN CCCN(CCC)S(=O)(=O)NCc1ccc(C#N)cc1F ZINC000609233641 361292133 /nfs/dbraw/zinc/29/21/33/361292133.db2.gz PDRHILFIICHCHY-UHFFFAOYSA-N 0 0 313.398 2.154 10 30 DEEERN Cc1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(C)[nH]1 ZINC000609621815 361328882 /nfs/dbraw/zinc/32/88/82/361328882.db2.gz FNTPHULZWSYUFI-QGZVFWFLSA-N 0 0 322.412 2.482 10 30 DEEERN COCCN(CCC#N)Cc1nc(-c2ccc(C)cc2)no1 ZINC000610391910 361392778 /nfs/dbraw/zinc/39/27/78/361392778.db2.gz CPMKXUPGILBIIV-UHFFFAOYSA-N 0 0 300.362 2.407 10 30 DEEERN CCOC(=O)CN(C(=O)c1ccc(C#N)c(C)n1)C(C)(C)C ZINC000193830075 201131424 /nfs/dbraw/zinc/13/14/24/201131424.db2.gz VSMKAUUAIXHBIQ-UHFFFAOYSA-N 0 0 303.362 2.066 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000628317320 366807287 /nfs/dbraw/zinc/80/72/87/366807287.db2.gz FDSONMNPNQQQKO-SNVBAGLBSA-N 0 0 306.328 2.116 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1cccc(S(=O)(=O)NCC)c1 ZINC000628317900 366808235 /nfs/dbraw/zinc/80/82/35/366808235.db2.gz FAKWRYQJPYWLIH-UHFFFAOYSA-N 0 0 324.446 2.317 10 30 DEEERN CO[C@H]1C[C@@H](NC(=O)NCc2ccc(C#N)cc2F)C1(C)C ZINC000610651420 361437954 /nfs/dbraw/zinc/43/79/54/361437954.db2.gz ALNNSQGLAYJOFQ-KGLIPLIRSA-N 0 0 305.353 2.310 10 30 DEEERN C[C@H]1CN(C(=O)Cc2cccc(C#N)c2)C[C@@H](C(F)(F)F)O1 ZINC000610522789 361415834 /nfs/dbraw/zinc/41/58/34/361415834.db2.gz PBROEGSGAWTFMG-GWCFXTLKSA-N 0 0 312.291 2.279 10 30 DEEERN Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)Cc1cccc(C#N)c1 ZINC000611224747 361553994 /nfs/dbraw/zinc/55/39/94/361553994.db2.gz UWKHKGHFWHNBRD-MRXNPFEDSA-N 0 0 324.384 2.041 10 30 DEEERN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2ccnc(C#N)c2)C1 ZINC000194353942 201209327 /nfs/dbraw/zinc/20/93/27/201209327.db2.gz VWONEKGTZLVUAV-QGZVFWFLSA-N 0 0 315.373 2.005 10 30 DEEERN C=CC[C@H](CO)CNC(=O)Nc1cccc(C(=O)OC)c1C ZINC000611385632 361589556 /nfs/dbraw/zinc/58/95/56/361589556.db2.gz WVWKMRSBQPEKEA-LBPRGKRZSA-N 0 0 306.362 2.088 10 30 DEEERN C=CCOCCNc1ncnc2oc(C)c(C(=O)OCC)c21 ZINC000611537118 361624899 /nfs/dbraw/zinc/62/48/99/361624899.db2.gz QEQWRIUMPQSCQW-UHFFFAOYSA-N 0 0 305.334 2.322 10 30 DEEERN Cc1cccc(N2CCN(C(=O)c3ccnc(C#N)c3)CC2)c1 ZINC000195123004 201343587 /nfs/dbraw/zinc/34/35/87/201343587.db2.gz PSMCTMNXDWMEFT-UHFFFAOYSA-N 0 0 306.369 2.224 10 30 DEEERN N#Cc1ccc(CN[C@@H](Cc2ccc(F)cc2)C(N)=O)c(F)c1 ZINC000612048300 361731604 /nfs/dbraw/zinc/73/16/04/361731604.db2.gz DVHGTCGGVXTWAA-INIZCTEOSA-N 0 0 315.323 2.023 10 30 DEEERN Cc1cc2nc(NC(=O)[C@H](C)n3cnc(C#N)n3)oc2c(C)c1 ZINC000619595728 363836445 /nfs/dbraw/zinc/83/64/45/363836445.db2.gz GAXRKCZHNGOBMO-JTQLQIEISA-N 0 0 310.317 2.108 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000620314809 364015404 /nfs/dbraw/zinc/01/54/04/364015404.db2.gz RIVUSPHJQCUYBV-UTUOFQBUSA-N 0 0 316.323 2.107 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1ccc(F)cc1F ZINC000620305586 364014351 /nfs/dbraw/zinc/01/43/51/364014351.db2.gz MVYKAVPUEIBZQT-BETUJISGSA-N 0 0 320.339 2.404 10 30 DEEERN C=CCc1ccc(OCC(=O)N2CCC3(COC3)C2)c(OC)c1 ZINC000620300038 364012652 /nfs/dbraw/zinc/01/26/52/364012652.db2.gz SHMFDLQTMWSVOY-UHFFFAOYSA-N 0 0 317.385 2.051 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncc2ccccc2c1=O ZINC000620314386 364013649 /nfs/dbraw/zinc/01/36/49/364013649.db2.gz CUEIQJWXFVJPNM-GASCZTMLSA-N 0 0 309.369 2.106 10 30 DEEERN C=CCCn1cc(C(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)nn1 ZINC000620545934 364077016 /nfs/dbraw/zinc/07/70/16/364077016.db2.gz KCQYXLXCYWBCGN-NUEKZKHPSA-N 0 0 312.348 2.061 10 30 DEEERN C=CCCC(C)(C)NC(=O)c1cnc2c(cnn2C)c1OC ZINC000620857654 364180438 /nfs/dbraw/zinc/18/04/38/364180438.db2.gz DIMLKBQTWUWXOS-UHFFFAOYSA-N 0 0 302.378 2.452 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000620782410 364156418 /nfs/dbraw/zinc/15/64/18/364156418.db2.gz FXPQXJILLSVIRL-AAEUAGOBSA-N 0 0 309.328 2.395 10 30 DEEERN C=CCN(C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21)C1CC1 ZINC000621559466 364455128 /nfs/dbraw/zinc/45/51/28/364455128.db2.gz GDNZFOREGFCNKD-HNNXBMFYSA-N 0 0 320.414 2.016 10 30 DEEERN C=CC[C@H]1CCN(C(=O)[C@H](CS(C)(=O)=O)c2ccccc2)C1 ZINC000628491741 366866667 /nfs/dbraw/zinc/86/66/67/366866667.db2.gz GSLVPQPAXBMIRD-GOEBONIOSA-N 0 0 321.442 2.239 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccccc1OCCF ZINC000622878695 364818323 /nfs/dbraw/zinc/81/83/23/364818323.db2.gz JYBZLOIVTLWFIX-AWEZNQCLSA-N 0 0 308.353 2.444 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@H]1c2ccccc2CN(C)C1=O)OCC ZINC000623270482 364959116 /nfs/dbraw/zinc/95/91/16/364959116.db2.gz HJHCXIOUAGYEFY-RDJZCZTQSA-N 0 0 316.401 2.187 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCCCN(C)CC(F)(F)F)C1 ZINC000623475132 365042743 /nfs/dbraw/zinc/04/27/43/365042743.db2.gz BDSZCFUZRMXMOX-GFCCVEGCSA-N 0 0 307.360 2.478 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000623481041 365046027 /nfs/dbraw/zinc/04/60/27/365046027.db2.gz RGAWFGGRJHYYRP-HUUCEWRRSA-N 0 0 315.421 2.053 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCCNC(=O)c2ccccc2F)C1 ZINC000623782628 365174138 /nfs/dbraw/zinc/17/41/38/365174138.db2.gz YJBVXAJPVHFUKI-CYBMUJFWSA-N 0 0 319.380 2.163 10 30 DEEERN O=C(Nc1ccc(F)c(Cl)c1)c1ccncc1C#CCO ZINC000091458156 193058272 /nfs/dbraw/zinc/05/82/72/193058272.db2.gz WENGAXZJLCDBAF-UHFFFAOYSA-N 0 0 304.708 2.470 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCc1ccc(CC(N)=O)cc1 ZINC000624078521 365278752 /nfs/dbraw/zinc/27/87/52/365278752.db2.gz KSVIDBKOXUQDFJ-UHFFFAOYSA-N 0 0 303.406 2.116 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2ccc(OC)nc2OC)C1 ZINC000624091906 365286789 /nfs/dbraw/zinc/28/67/89/365286789.db2.gz SQAHQJYJYZSYMY-GFCCVEGCSA-N 0 0 305.378 2.206 10 30 DEEERN CSC1(C#N)CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000091472856 193061221 /nfs/dbraw/zinc/06/12/21/193061221.db2.gz MBGOBSDGCKQYCA-UHFFFAOYSA-N 0 0 305.359 2.456 10 30 DEEERN CSC1(C#N)CCN(S(=O)(=O)c2cccc(C)c2)CC1 ZINC000091471783 193061782 /nfs/dbraw/zinc/06/17/82/193061782.db2.gz GOHHAWUPJNWRNI-UHFFFAOYSA-N 0 0 310.444 2.405 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2ccccc2S(C)(=O)=O)C1 ZINC000624205875 365332188 /nfs/dbraw/zinc/33/21/88/365332188.db2.gz SNWCBHDKBRHWOX-CYBMUJFWSA-N 0 0 322.430 2.198 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2c(O)cccc2C1 ZINC000624241796 365348598 /nfs/dbraw/zinc/34/85/98/365348598.db2.gz VCIQPYAGXSSDSC-LRDDRELGSA-N 0 0 302.374 2.051 10 30 DEEERN C=CCn1cc(CNC(=O)N2CCC[C@H](C/C=C\C)C2)nn1 ZINC000624242529 365348769 /nfs/dbraw/zinc/34/87/69/365348769.db2.gz QAJQUDMOJPCPNG-MFBWXBCUSA-N 0 0 303.410 2.352 10 30 DEEERN CCc1ccc([C@@H](COC)NC(=O)c2ccc(C#N)n2C)o1 ZINC000449939252 241275243 /nfs/dbraw/zinc/27/52/43/241275243.db2.gz MRMPCUQMFKVSIO-CYBMUJFWSA-N 0 0 301.346 2.170 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCO[C@@H](CCF)C2)cc1OC ZINC000629025467 367055509 /nfs/dbraw/zinc/05/55/09/367055509.db2.gz XZHPRSQBBAFYIR-AWEZNQCLSA-N 0 0 323.364 2.461 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000450112290 241451566 /nfs/dbraw/zinc/45/15/66/241451566.db2.gz JQPVAQAMFABXIN-HNNXBMFYSA-N 0 0 313.357 2.311 10 30 DEEERN C=CCn1cc(-c2cccc(CN3CCN(C(C)=O)CC3)c2)cn1 ZINC000629761977 367328355 /nfs/dbraw/zinc/32/83/55/367328355.db2.gz LEFGXBLAQWUARH-UHFFFAOYSA-N 0 0 324.428 2.400 10 30 DEEERN C=CCn1c(C)nnc1S(=O)(=O)Cc1c(C)cc(C)nc1C ZINC000630413787 367639006 /nfs/dbraw/zinc/63/90/06/367639006.db2.gz PTDMPSMQFASNSL-UHFFFAOYSA-N 0 0 320.418 2.067 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1cc(Br)ccc1C ZINC000450843376 242298389 /nfs/dbraw/zinc/29/83/89/242298389.db2.gz IEIGCBJGOYPIFL-ZDUSSCGKSA-N 0 0 312.207 2.353 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cccc3c2OCCC3=O)C1=O ZINC000630515126 367700965 /nfs/dbraw/zinc/70/09/65/367700965.db2.gz CEKNLVBESNFGSH-NSHDSACASA-N 0 0 300.314 2.043 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cccc([C@@H]3CCC(=O)N3)c2)C1=O ZINC000630522160 367704130 /nfs/dbraw/zinc/70/41/30/367704130.db2.gz NSSGZQFAKVJSKN-UONOGXRCSA-N 0 0 313.357 2.029 10 30 DEEERN C=C1CC(C)(C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)C1 ZINC000630621161 367762450 /nfs/dbraw/zinc/76/24/50/367762450.db2.gz YMEYTWSMRNGTBD-HNNXBMFYSA-N 0 0 318.417 2.434 10 30 DEEERN C=C1CC(C)(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)C1 ZINC000630705084 367803814 /nfs/dbraw/zinc/80/38/14/367803814.db2.gz AYZWBXXQQOVCRP-UHFFFAOYSA-N 0 0 302.374 2.448 10 30 DEEERN C=C1CC(C)(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)C1 ZINC000630745216 367825565 /nfs/dbraw/zinc/82/55/65/367825565.db2.gz HCKHAUWEUMYZGS-KRWDZBQOSA-N 0 0 313.357 2.036 10 30 DEEERN C=C1CC(C)(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)C1 ZINC000630745217 367825690 /nfs/dbraw/zinc/82/56/90/367825690.db2.gz HCKHAUWEUMYZGS-QGZVFWFLSA-N 0 0 313.357 2.036 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCc2cc(OC)ccc2OC)C1=O ZINC000630969166 367943052 /nfs/dbraw/zinc/94/30/52/367943052.db2.gz ZGYXKQQCBBIRFF-AWEZNQCLSA-N 0 0 318.373 2.133 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccc(F)c(COC)c2)C1=O ZINC000630974967 367945190 /nfs/dbraw/zinc/94/51/90/367945190.db2.gz YPIAQURAQJVPEE-CQSZACIVSA-N 0 0 306.337 2.359 10 30 DEEERN C=C(CN1C(=O)N2C[C@@H](OC)C[C@@]2(C)C1=O)c1ccccc1 ZINC000630982531 367949346 /nfs/dbraw/zinc/94/93/46/367949346.db2.gz NSWDWTYFQXGOFF-YOEHRIQHSA-N 0 0 300.358 2.141 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@@](C)(OC)c2ccccc2)C1=O ZINC000630982232 367949359 /nfs/dbraw/zinc/94/93/59/367949359.db2.gz JYYMWCYTEHYYLX-RHSMWYFYSA-N 0 0 302.374 2.435 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H](COC)c2cccc(OC)c2)C1=O ZINC000630989278 367953165 /nfs/dbraw/zinc/95/31/65/367953165.db2.gz ZTQLAWRKQNJKJE-GJZGRUSLSA-N 0 0 318.373 2.269 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000451507611 243048959 /nfs/dbraw/zinc/04/89/59/243048959.db2.gz LXGBKTBBJBORPZ-ZIFCJYIRSA-N 0 0 315.413 2.130 10 30 DEEERN C=C1CC(C)(C(=O)Nc2cccc(S(=O)(=O)NC)c2C)C1 ZINC000631881620 368439024 /nfs/dbraw/zinc/43/90/24/368439024.db2.gz FCZPTLOKPMZVIT-UHFFFAOYSA-N 0 0 308.403 2.198 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CC)C(F)F)cc2C1=O ZINC000452248652 244071831 /nfs/dbraw/zinc/07/18/31/244071831.db2.gz OUZYHSCOZQRNQL-LBPRGKRZSA-N 0 0 322.311 2.242 10 30 DEEERN N#Cc1c[nH]nc1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000093334675 193233463 /nfs/dbraw/zinc/23/34/63/193233463.db2.gz OXBARDKMQIOZBV-UHFFFAOYSA-N 0 0 302.162 2.229 10 30 DEEERN CCCN[C@@]1(C#N)CCC[C@H]1CCSCCS(C)(=O)=O ZINC000093581530 193269332 /nfs/dbraw/zinc/26/93/32/193269332.db2.gz BLTNRCCFSNZOMU-UONOGXRCSA-N 0 0 318.508 2.216 10 30 DEEERN CC(C)N[C@@]1(C#N)CCC[C@@H]1CCSc1nccc(=O)[nH]1 ZINC000093580108 193270298 /nfs/dbraw/zinc/27/02/98/193270298.db2.gz IRVMGHFIHBPYTC-IUODEOHRSA-N 0 0 306.435 2.313 10 30 DEEERN C[C@@H](NC(=O)c1csc(C#CCCO)c1)c1ccncc1 ZINC000093973839 193332610 /nfs/dbraw/zinc/33/26/10/193332610.db2.gz FKFBREGOODFQQR-GFCCVEGCSA-N 0 0 300.383 2.368 10 30 DEEERN C[C@@H]1CN(C(=O)c2csc(C#CCCO)c2)CC(C)(C)O1 ZINC000093974838 193333386 /nfs/dbraw/zinc/33/33/86/193333386.db2.gz GAXBPEQBMVMNSC-GFCCVEGCSA-N 0 0 307.415 2.122 10 30 DEEERN CC(C)N(CCC#N)c1nc(C(F)(F)F)ccc1C(N)=O ZINC000094334737 193360269 /nfs/dbraw/zinc/36/02/69/193360269.db2.gz GXEYAKWVFYLNSZ-UHFFFAOYSA-N 0 0 300.284 2.328 10 30 DEEERN Cc1cc(Br)cnc1N1CCN([C@H](C)C#N)CC1 ZINC000094050273 193341983 /nfs/dbraw/zinc/34/19/83/193341983.db2.gz SLSJQHXYZVLIER-LLVKDONJSA-N 0 0 309.211 2.187 10 30 DEEERN Cc1cc(C(=O)NCc2csc(C)n2)sc1C#CCO ZINC000094534608 193377156 /nfs/dbraw/zinc/37/71/56/193377156.db2.gz JINCYNZIGQMRQM-UHFFFAOYSA-N 0 0 306.412 2.095 10 30 DEEERN Cc1cc(CNC(=O)c2cc(C)c(C#CCCO)s2)no1 ZINC000094534997 193377555 /nfs/dbraw/zinc/37/75/55/193377555.db2.gz XYBWFJSSDIXRFG-UHFFFAOYSA-N 0 0 304.371 2.017 10 30 DEEERN COc1ncnc2c1[nH]c(=S)n2-c1cccc(F)c1C#N ZINC000094738735 193394609 /nfs/dbraw/zinc/39/46/09/193394609.db2.gz WCIFWRVICSIFMT-UHFFFAOYSA-N 0 0 301.306 2.124 10 30 DEEERN COc1ccc(C#CCNS(=O)(=O)c2ccc(C)s2)cc1 ZINC000096351740 193615426 /nfs/dbraw/zinc/61/54/26/193615426.db2.gz ZAYNBSMUSUVAHW-UHFFFAOYSA-N 0 0 321.423 2.395 10 30 DEEERN N#CCc1cccc(NC(=O)C(=O)N[C@H]2CCCC(F)(F)C2)c1 ZINC000453669842 245249586 /nfs/dbraw/zinc/24/95/86/245249586.db2.gz JAIWYCUSOFYHPO-ZDUSSCGKSA-N 0 0 321.327 2.385 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cnn(CCC)c1C1CC1 ZINC000453740279 245269911 /nfs/dbraw/zinc/26/99/11/245269911.db2.gz OJWHUZNLLDQDIT-UHFFFAOYSA-N 0 0 304.394 2.191 10 30 DEEERN C=C(C)COCCNC(=O)C(=O)Nc1ccc2c(c1)CCCC2 ZINC000453673300 245249157 /nfs/dbraw/zinc/24/91/57/245249157.db2.gz SIVXPQDIAZIOGX-UHFFFAOYSA-N 0 0 316.401 2.213 10 30 DEEERN C=CCCCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000265656764 204773335 /nfs/dbraw/zinc/77/33/35/204773335.db2.gz YUMSWHDKZWLRRE-INIZCTEOSA-N 0 0 315.417 2.395 10 30 DEEERN CCc1nnc(N[C@H]2CCCC[C@H]2C(=O)NC)c(C#N)c1CC ZINC000161736934 197514956 /nfs/dbraw/zinc/51/49/56/197514956.db2.gz XAUZEHKVISEHLA-DOMZBBRYSA-N 0 0 315.421 2.190 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)c1nnc2ccccn21 ZINC000160103199 197386409 /nfs/dbraw/zinc/38/64/09/197386409.db2.gz ATYZMDCRKOHINS-LBPRGKRZSA-N 0 0 305.341 2.400 10 30 DEEERN C[C@@H](C(=O)NC1(C(C)(C)c2ccccc2)CC1)n1cnc(C#N)n1 ZINC000456817363 247439778 /nfs/dbraw/zinc/43/97/78/247439778.db2.gz SEYDAALZGUVOCZ-ZDUSSCGKSA-N 0 0 323.400 2.337 10 30 DEEERN C=CCC[C@@H](C(=O)N1CCC[C@](O)(CO)C1)c1ccccc1 ZINC000457958937 248091727 /nfs/dbraw/zinc/09/17/27/248091727.db2.gz NGJOEJKEEFHCPK-SJLPKXTDSA-N 0 0 303.402 2.082 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@H]1C[C@]1(C)c1ccccc1OC ZINC000458413881 248296392 /nfs/dbraw/zinc/29/63/92/248296392.db2.gz CKSOWDUJAZEFDT-RPVQJOFSSA-N 0 0 318.417 2.352 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)NCc1ccn(C2CCCC2)n1 ZINC000458551336 248368185 /nfs/dbraw/zinc/36/81/85/248368185.db2.gz FBIQCDPHYBKHPX-AWEZNQCLSA-N 0 0 306.410 2.125 10 30 DEEERN C=CCN(CC=C)C(=O)Cn1c(CO)nc2cc(C)c(C)cc21 ZINC000040308875 183053312 /nfs/dbraw/zinc/05/33/12/183053312.db2.gz YCIFIVWZSMGKAX-UHFFFAOYSA-N 0 0 313.401 2.346 10 30 DEEERN Cc1cc(S(=O)(=O)NCC(C)(C)C)ccc1C#CCCO ZINC000040495165 183081442 /nfs/dbraw/zinc/08/14/42/183081442.db2.gz YYWHSNSVNHURTF-UHFFFAOYSA-N 0 0 309.431 2.053 10 30 DEEERN N#Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)cc1 ZINC000041230492 183180268 /nfs/dbraw/zinc/18/02/68/183180268.db2.gz RYPZXMSIFBALGA-NSHDSACASA-N 0 0 311.263 2.050 10 30 DEEERN N#C[C@H](c1ccccc1Cl)N1CCN(C(=O)C2CC2)CC1 ZINC000041259528 183181900 /nfs/dbraw/zinc/18/19/00/183181900.db2.gz WRZSBMKNKSNVSE-OAHLLOKOSA-N 0 0 303.793 2.459 10 30 DEEERN COC[C@H](C)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104489100 194010758 /nfs/dbraw/zinc/01/07/58/194010758.db2.gz KOCHZWHMYSZRGO-ZDUSSCGKSA-N 0 0 302.374 2.211 10 30 DEEERN CN(c1cccnn1)C1CCN(Cc2ccccc2C#N)CC1 ZINC000105806255 194133909 /nfs/dbraw/zinc/13/39/09/194133909.db2.gz YUEYILNSBPBKDX-UHFFFAOYSA-N 0 0 307.401 2.449 10 30 DEEERN N#C[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CCO1 ZINC000106051871 194182165 /nfs/dbraw/zinc/18/21/65/194182165.db2.gz PSLQPEMYTDZQLO-ZDUSSCGKSA-N 0 0 300.289 2.450 10 30 DEEERN C[C@@H]1OCC[C@@H]1N(C)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000159415152 197352586 /nfs/dbraw/zinc/35/25/86/197352586.db2.gz VYHGVLJGGWPFAV-CABZTGNLSA-N 0 0 314.794 2.010 10 30 DEEERN C[C@@H](CC#N)N(C)C(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159404990 197351550 /nfs/dbraw/zinc/35/15/50/197351550.db2.gz DZQALWQMHMLTHU-IUCAKERBSA-N 0 0 314.311 2.294 10 30 DEEERN C[C@H]1CCC[C@@H](N(C)S(=O)(=O)c2ccc(N)cc2C#N)C1 ZINC000049009573 183701373 /nfs/dbraw/zinc/70/13/73/183701373.db2.gz LJIHCHVAZVLNQQ-SMDDNHRTSA-N 0 0 307.419 2.340 10 30 DEEERN C[C@H]1CN(c2ccc(Nc3ccncc3C#N)cn2)C[C@H](C)O1 ZINC000553560007 291745811 /nfs/dbraw/zinc/74/58/11/291745811.db2.gz SIQGJSABNJFPDM-STQMWFEESA-N 0 0 309.373 2.127 10 30 DEEERN CCCNc1ncccc1S(=O)(=O)N(CC)C[C@H](C)C#N ZINC000050675357 183799466 /nfs/dbraw/zinc/79/94/66/183799466.db2.gz HTCWVCAVAMTEHB-GFCCVEGCSA-N 0 0 310.423 2.074 10 30 DEEERN C[C@@H](C#N)N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000109444967 194264163 /nfs/dbraw/zinc/26/41/63/194264163.db2.gz YUCNESVLPAYBFA-NSHDSACASA-N 0 0 322.206 2.119 10 30 DEEERN C[C@H](C#N)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000109452873 194264305 /nfs/dbraw/zinc/26/43/05/194264305.db2.gz FJEHYIHUMYFWLI-GFCCVEGCSA-N 0 0 308.223 2.479 10 30 DEEERN CCc1n[nH]c(=O)c(CNC(=O)Cc2cccc(C#N)c2)c1CC ZINC000532772609 269681847 /nfs/dbraw/zinc/68/18/47/269681847.db2.gz DDLZLXMQKNODDK-UHFFFAOYSA-N 0 0 324.384 2.038 10 30 DEEERN CN(CCC#N)C(=O)CCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC000051609384 183831805 /nfs/dbraw/zinc/83/18/05/183831805.db2.gz KVLSSHPQFMZYAJ-UHFFFAOYSA-N 0 0 311.725 2.389 10 30 DEEERN C[C@H](NC(=O)c1ccc(C#CCCO)cn1)c1ccsc1 ZINC000061863262 184190381 /nfs/dbraw/zinc/19/03/81/184190381.db2.gz ZWEZRWMZOSOMRQ-LBPRGKRZSA-N 0 0 300.383 2.368 10 30 DEEERN CCCn1c(SCCCC[C@](C)(C#N)NCC)n[nH]c1=O ZINC000061607395 184178004 /nfs/dbraw/zinc/17/80/04/184178004.db2.gz TYDADDNPEPQMTA-CQSZACIVSA-N 0 0 311.455 2.136 10 30 DEEERN O=C(Nc1cc(C#CCCO)ccc1Cl)[C@H]1CCCOC1 ZINC000061691785 184182964 /nfs/dbraw/zinc/18/29/64/184182964.db2.gz JFGXTWRWTHOONM-ZDUSSCGKSA-N 0 0 307.777 2.439 10 30 DEEERN CN(c1cccc(C#N)c1)S(=O)(=O)c1ccnc(Cl)c1 ZINC000061980165 184200082 /nfs/dbraw/zinc/20/00/82/184200082.db2.gz VARZDFZUYZWMID-UHFFFAOYSA-N 0 0 307.762 2.432 10 30 DEEERN N#Cc1cccc(CS(=O)(=O)Nc2cc(F)ccc2N)c1 ZINC000063209213 184278331 /nfs/dbraw/zinc/27/83/31/184278331.db2.gz QNOOBMVPXDBABW-UHFFFAOYSA-N 0 0 305.334 2.221 10 30 DEEERN C[C@@H](CC#N)N(C)CC(=O)Nc1nc2ccc(N)cc2s1 ZINC000063084966 184269836 /nfs/dbraw/zinc/26/98/36/184269836.db2.gz LFDIMQXWPKHCGV-VIFPVBQESA-N 0 0 303.391 2.051 10 30 DEEERN C=C(C)COc1ccc(NCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000066062041 184386519 /nfs/dbraw/zinc/38/65/19/184386519.db2.gz JTMGDLZAIVNPFC-INIZCTEOSA-N 0 0 304.390 2.349 10 30 DEEERN C=CCN(CC=C)C(=O)CNc1ccc(OCCOC)cc1 ZINC000066228669 184398013 /nfs/dbraw/zinc/39/80/13/184398013.db2.gz XFICIGPDTJJOJQ-UHFFFAOYSA-N 0 0 304.390 2.324 10 30 DEEERN C=C[C@@H](C)NS(=O)(=O)c1cc(Br)cc(N)c1C ZINC000161979646 197534592 /nfs/dbraw/zinc/53/45/92/197534592.db2.gz LYCSQNQQVNPREZ-SSDOTTSWSA-N 0 0 319.224 2.193 10 30 DEEERN C=CCCS(=O)(=O)NCc1ccc(OC)c(OC(F)F)c1 ZINC000119622449 195004401 /nfs/dbraw/zinc/00/44/01/195004401.db2.gz JSPKSAGRWOPMNA-UHFFFAOYSA-N 0 0 321.345 2.292 10 30 DEEERN C[C@@H](C(=O)N[C@H](c1cccs1)C1CC1)n1cnc(C#N)n1 ZINC000538419138 285034696 /nfs/dbraw/zinc/03/46/96/285034696.db2.gz DAEQYWHOASAWHY-ZANVPECISA-N 0 0 301.375 2.040 10 30 DEEERN C#CCN(CC1CC1)S(=O)(=O)c1sc(Cl)nc1C ZINC000159267803 197340745 /nfs/dbraw/zinc/34/07/45/197340745.db2.gz HNLPUYLXNGVHMV-UHFFFAOYSA-N 0 0 304.824 2.139 10 30 DEEERN Cc1cc(C#CCO)cc(C(=O)N2CCSC(C)(C)C2)c1 ZINC000159026164 197319506 /nfs/dbraw/zinc/31/95/06/197319506.db2.gz SGIUVUSBDLYFJO-UHFFFAOYSA-N 0 0 303.427 2.306 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000158828470 197304925 /nfs/dbraw/zinc/30/49/25/197304925.db2.gz RUMIGOWKHABZHF-UHFFFAOYSA-N 0 0 323.352 2.058 10 30 DEEERN CNc1ncnc2c1cnn2CCCOc1cccc(C#N)c1 ZINC000194418423 533089335 /nfs/dbraw/zinc/08/93/35/533089335.db2.gz RUPJQPCPOGFQTB-UHFFFAOYSA-N 0 0 308.345 2.209 10 30 DEEERN C#CCn1ncc(NC[C@@H](C)C2CC2)c(Br)c1=O ZINC000158601774 197286756 /nfs/dbraw/zinc/28/67/56/197286756.db2.gz JYXLWLVTKNGONL-SECBINFHSA-N 0 0 310.195 2.097 10 30 DEEERN O=C(NCC(F)(F)F)Nc1cc(C#CCO)ccc1Cl ZINC000158096593 197244082 /nfs/dbraw/zinc/24/40/82/197244082.db2.gz UTYCIAQVCLZANN-UHFFFAOYSA-N 0 0 306.671 2.368 10 30 DEEERN Cc1cc(C#CCCO)ccc1NC(=O)NCC(F)(F)F ZINC000158093095 197242928 /nfs/dbraw/zinc/24/29/28/197242928.db2.gz LERTUCHVPLOMSM-UHFFFAOYSA-N 0 0 300.280 2.413 10 30 DEEERN CC[C@H]1CN(C(=O)c2cc(C)c(C#CCO)s2)CCS1 ZINC000157970387 197232398 /nfs/dbraw/zinc/23/23/98/197232398.db2.gz GPLWWUNJCVMIDY-LBPRGKRZSA-N 0 0 309.456 2.368 10 30 DEEERN N#Cc1c(CN2CCC(n3cncn3)CC2)cn2ccccc12 ZINC000157769340 197213677 /nfs/dbraw/zinc/21/36/77/197213677.db2.gz MVCGHAPFFHPBEY-UHFFFAOYSA-N 0 0 306.373 2.240 10 30 DEEERN COC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000187641136 533125823 /nfs/dbraw/zinc/12/58/23/533125823.db2.gz BHICDNSUAYSBMK-QGZVFWFLSA-N 0 0 312.369 2.409 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000157142325 197165418 /nfs/dbraw/zinc/16/54/18/197165418.db2.gz OEDUQPGRQKAAEK-SFHVURJKSA-N 0 0 309.369 2.285 10 30 DEEERN N#Cc1c(Cl)cccc1S(=O)(=O)NCc1cscn1 ZINC000156935134 197151386 /nfs/dbraw/zinc/15/13/86/197151386.db2.gz GQZKYVILPQZILC-UHFFFAOYSA-N 0 0 313.791 2.147 10 30 DEEERN C#CCn1ncc(N[C@H](C)[C@H](C)CC)c(Br)c1=O ZINC000156791476 197141666 /nfs/dbraw/zinc/14/16/66/197141666.db2.gz FATBMLTYSKVPDO-NXEZZACHSA-N 0 0 312.211 2.486 10 30 DEEERN CCN(C(=O)[C@@H]1CSC(=O)N1)[C@H](C)c1ccc(C#N)cc1 ZINC000155320597 197043376 /nfs/dbraw/zinc/04/33/76/197043376.db2.gz SBIVSXMZLRKLRX-MFKMUULPSA-N 0 0 303.387 2.293 10 30 DEEERN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)CSCc1ccc(C#N)cc1 ZINC000155208559 197032968 /nfs/dbraw/zinc/03/29/68/197032968.db2.gz QXNOXTMTGIDSNV-ZIAGYGMSSA-N 0 0 317.458 2.342 10 30 DEEERN C=CCCOCCNC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000155106655 197022186 /nfs/dbraw/zinc/02/21/86/197022186.db2.gz CFDCSAAFSWJVQY-UHFFFAOYSA-N 0 0 307.438 2.407 10 30 DEEERN CC(=O)N(C)c1cccc(NC(=O)c2ncc(C#N)cc2C)c1 ZINC000560097282 291922414 /nfs/dbraw/zinc/92/24/14/291922414.db2.gz MZAVWRGZKUUCKM-UHFFFAOYSA-N 0 0 308.341 2.497 10 30 DEEERN COC(=O)CN(CC#N)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000120734567 195226320 /nfs/dbraw/zinc/22/63/20/195226320.db2.gz ARQLQFSTAZHXJF-UHFFFAOYSA-N 0 0 316.288 2.224 10 30 DEEERN N#Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2ncccn2)c1 ZINC000503720921 257208069 /nfs/dbraw/zinc/20/80/69/257208069.db2.gz XQKSLYCJCSEQCJ-IRXDYDNUSA-N 0 0 305.385 2.201 10 30 DEEERN N#CCOc1ccccc1C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123085111 224611756 /nfs/dbraw/zinc/61/17/56/224611756.db2.gz SSOKWTCLUAIUCB-OAHLLOKOSA-N 0 0 323.352 2.277 10 30 DEEERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000120955649 195271078 /nfs/dbraw/zinc/27/10/78/195271078.db2.gz UZEHULOBJLBKBK-AWEZNQCLSA-N 0 0 324.388 2.410 10 30 DEEERN N#Cc1cnccc1NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000561318631 291959490 /nfs/dbraw/zinc/95/94/90/291959490.db2.gz POOUFZRLCPZUDG-NSHDSACASA-N 0 0 321.302 2.056 10 30 DEEERN C#CCCCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000127595201 195891869 /nfs/dbraw/zinc/89/18/69/195891869.db2.gz PQBLSROWCLIWKD-RDJZCZTQSA-N 0 0 316.376 2.265 10 30 DEEERN C#CC[C@H](C)NC(=O)c1ccccc1I ZINC000127769809 195908978 /nfs/dbraw/zinc/90/89/78/195908978.db2.gz ROMKFGLEFXKYIS-VIFPVBQESA-N 0 0 313.138 2.433 10 30 DEEERN CN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000128014828 195929451 /nfs/dbraw/zinc/92/94/51/195929451.db2.gz KRWAXZFQENHNMU-UHFFFAOYSA-N 0 0 311.316 2.294 10 30 DEEERN COC(=O)CCCCC(=O)N[C@@]1(C#N)CCc2ccccc2C1 ZINC000189011232 533358987 /nfs/dbraw/zinc/35/89/87/533358987.db2.gz LUJBPUKHZDIWIQ-SFHVURJKSA-N 0 0 314.385 2.287 10 30 DEEERN CSCCCCCCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000368258287 533545518 /nfs/dbraw/zinc/54/55/18/533545518.db2.gz POZYQHGVXXCDBF-OAHLLOKOSA-N 0 0 324.494 2.292 10 30 DEEERN COC(=O)C[C@@H]1CCCN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188824631 533619055 /nfs/dbraw/zinc/61/90/55/533619055.db2.gz DUMASAGLDAMCDV-HNNXBMFYSA-N 0 0 312.369 2.144 10 30 DEEERN COC(=O)[C@]12CCC[C@@H]1CN(c1ccc([N+](=O)[O-])cc1C#N)C2 ZINC000302129802 533638728 /nfs/dbraw/zinc/63/87/28/533638728.db2.gz BOYNHSRURRHHHI-WBMJQRKESA-N 0 0 315.329 2.246 10 30 DEEERN N#Cc1cccc(Cc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c1 ZINC000545781293 285444539 /nfs/dbraw/zinc/44/45/39/285444539.db2.gz ORWLTWMMGYKNOJ-UHFFFAOYSA-N 0 0 321.296 2.426 10 30 DEEERN N#Cc1ccc(C(=O)N2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000360573533 133191240 /nfs/dbraw/zinc/19/12/40/133191240.db2.gz HASIGTAHFUGJGQ-SFHVURJKSA-N 0 0 322.364 2.478 10 30 DEEERN COC(=O)c1cc(C(C)(C)NC(=O)c2cc(C#N)cs2)no1 ZINC000362314544 133223103 /nfs/dbraw/zinc/22/31/03/133223103.db2.gz NWNLZFUTXQLWAJ-UHFFFAOYSA-N 0 0 319.342 2.059 10 30 DEEERN CN(C)c1ncccc1O[C@@H]1CCN(c2ccncc2C#N)C1 ZINC000376392398 133292897 /nfs/dbraw/zinc/29/28/97/133292897.db2.gz TXQYWIKZHOVLFD-CQSZACIVSA-N 0 0 309.373 2.072 10 30 DEEERN Cc1cc(C#N)nc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1 ZINC000376393371 133293007 /nfs/dbraw/zinc/29/30/07/133293007.db2.gz AOYHUMXEFYTKCT-INIZCTEOSA-N 0 0 305.341 2.106 10 30 DEEERN CN(c1ccc(S(C)(=O)=O)cc1N)c1ccccc1C#N ZINC000128515838 195971108 /nfs/dbraw/zinc/97/11/08/195971108.db2.gz HXMDYBFRCGKYSL-UHFFFAOYSA-N 0 0 301.371 2.312 10 30 DEEERN C=CCOc1cccc(NC(=O)N2CC(F)(F)C[C@@H]2CO)c1 ZINC000364620259 404473837 /nfs/dbraw/zinc/47/38/37/404473837.db2.gz CMHXZGXHGMTXLV-GFCCVEGCSA-N 0 0 312.316 2.485 10 30 DEEERN Cc1cc(N2CCN(C(=O)Nc3cc(C#N)ccc3C)CC2)n[nH]1 ZINC000187921984 145005081 /nfs/dbraw/zinc/00/50/81/145005081.db2.gz HMHHWPKLCPRQDU-UHFFFAOYSA-N 0 0 324.388 2.252 10 30 DEEERN N#Cc1ccc(C2(C(=O)N[C@@H]3Cc4ccccc4[C@@H]3O)CC2)cc1 ZINC000188792168 145017334 /nfs/dbraw/zinc/01/73/34/145017334.db2.gz MTXXHEDYYFNBLE-MSOLQXFVSA-N 0 0 318.376 2.364 10 30 DEEERN N#Cc1ccc(C2(C(=O)N[C@H]3c4ccccc4C[C@H]3O)CC2)cc1 ZINC000188788659 145017560 /nfs/dbraw/zinc/01/75/60/145017560.db2.gz XPBRRVCMMDGFMK-MSOLQXFVSA-N 0 0 318.376 2.364 10 30 DEEERN N#Cc1ccc(C2(C(=O)Nc3nnc4n3CCCC4)CC2)cc1 ZINC000189041602 145021353 /nfs/dbraw/zinc/02/13/53/145021353.db2.gz MLBRXBHSULUCEW-UHFFFAOYSA-N 0 0 307.357 2.156 10 30 DEEERN N#Cc1ccc(CN[C@H]2CCN(Cc3ccc(F)cc3)C2=O)o1 ZINC000191771136 145064399 /nfs/dbraw/zinc/06/43/99/145064399.db2.gz FXBFKEXWPWFSIZ-INIZCTEOSA-N 0 0 313.332 2.181 10 30 DEEERN C[C@H](NC(=O)c1ccnc(C#N)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000192749286 145078524 /nfs/dbraw/zinc/07/85/24/145078524.db2.gz YVPKCKUGFUCCJS-NSHDSACASA-N 0 0 320.352 2.329 10 30 DEEERN C[C@@H](NC(=O)c1ccnc(C#N)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000192749299 145078589 /nfs/dbraw/zinc/07/85/89/145078589.db2.gz YVPKCKUGFUCCJS-LLVKDONJSA-N 0 0 320.352 2.329 10 30 DEEERN N#Cc1cc(C(=O)NCc2nc(-c3ccncc3)cs2)ccn1 ZINC000193084723 145082060 /nfs/dbraw/zinc/08/20/60/145082060.db2.gz CEZIWUDPPOIOHK-UHFFFAOYSA-N 0 0 321.365 2.402 10 30 DEEERN N#Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](c3ccnc(N)n3)C2)c1 ZINC000193534823 145086917 /nfs/dbraw/zinc/08/69/17/145086917.db2.gz HEELEBHYTKGITK-LBPRGKRZSA-N 0 0 324.344 2.223 10 30 DEEERN COC(=O)[C@H](N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1cccc(C#N)c1 ZINC000246294968 145098276 /nfs/dbraw/zinc/09/82/76/145098276.db2.gz UUTMQXUBRYXNMK-XOKHGSTOSA-N 0 0 315.417 2.091 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246903016 145118331 /nfs/dbraw/zinc/11/83/31/145118331.db2.gz DZPJMGPGMWAPBE-FAYQHZLMSA-N 0 0 314.385 2.399 10 30 DEEERN CCN([C@H]1CCOC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000312793940 145354907 /nfs/dbraw/zinc/35/49/07/145354907.db2.gz QPKINEBMGNDQPL-NSHDSACASA-N 0 0 314.794 2.011 10 30 DEEERN CC[C@@H](CSC)N(C)S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000313044343 145355295 /nfs/dbraw/zinc/35/52/95/145355295.db2.gz GPKMHMMGVZFJDW-LBPRGKRZSA-N 0 0 313.448 2.024 10 30 DEEERN N#Cc1ccc(CN2CCn3c(nnc3-c3cccnc3)C2)cc1 ZINC000369440642 147910818 /nfs/dbraw/zinc/91/08/18/147910818.db2.gz HSJZVJLBUPOCMD-UHFFFAOYSA-N 0 0 316.368 2.228 10 30 DEEERN CC(=O)N1CSC[C@@H]1C(=O)Nc1sc(C)c(C)c1C#N ZINC000408144856 148568530 /nfs/dbraw/zinc/56/85/30/148568530.db2.gz OHACWDLDPMOMBD-LLVKDONJSA-N 0 0 309.416 2.097 10 30 DEEERN CCOCCN1CCN(C(=O)C2(C#N)CCCCC2)C[C@@H]1C ZINC000117278271 286083350 /nfs/dbraw/zinc/08/33/50/286083350.db2.gz KJHGIYZMSZAMJO-HNNXBMFYSA-N 0 0 307.438 2.030 10 30 DEEERN CCN1CCO[C@@H](CNc2ccc(C#N)cc2Br)C1 ZINC000127177954 401723276 /nfs/dbraw/zinc/72/32/76/401723276.db2.gz GKNXHNKICHAKQE-LBPRGKRZSA-N 0 0 324.222 2.453 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)CCCC#N ZINC000111334529 401712043 /nfs/dbraw/zinc/71/20/43/401712043.db2.gz BTIOPEUHXHIZQG-UHFFFAOYSA-N 0 0 323.374 2.216 10 30 DEEERN C=CCCCN(C)C(=O)NCCCS(=O)(=O)c1ccccc1 ZINC000076953401 401801563 /nfs/dbraw/zinc/80/15/63/401801563.db2.gz XNUCQEUNHGVGQP-UHFFFAOYSA-N 0 0 324.446 2.458 10 30 DEEERN COc1ccc(C(=O)ON=C2C=CC(=NO)C=C2)c(OC)c1 ZINC000008207440 401749876 /nfs/dbraw/zinc/74/98/76/401749876.db2.gz MMGVJDGBJZQLQB-UHFFFAOYSA-N 0 0 302.286 2.173 10 30 DEEERN NC(Nc1ccccc1)=C1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000015203119 401816709 /nfs/dbraw/zinc/81/67/09/401816709.db2.gz CSKJUGRJWUEOKD-CQSZACIVSA-N 0 0 311.316 2.394 10 30 DEEERN Cn1cc([C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2)cn1 ZINC000116122929 401843096 /nfs/dbraw/zinc/84/30/96/401843096.db2.gz YSUORVWZWZDXES-MRXNPFEDSA-N 0 0 308.385 2.240 10 30 DEEERN O=C(CCC1=CCCN(CCCc2ccccc2)C1=O)NO ZINC000028645164 401852816 /nfs/dbraw/zinc/85/28/16/401852816.db2.gz QVZVOPUKMAJJHD-UHFFFAOYSA-N 0 0 302.374 2.064 10 30 DEEERN C[C@@H](CNC(=O)c1cc(C#N)cn1C)Oc1cccc(F)c1 ZINC000081549017 401896657 /nfs/dbraw/zinc/89/66/57/401896657.db2.gz PYUCVRSJUKPRJJ-NSHDSACASA-N 0 0 301.321 2.233 10 30 DEEERN CCS(=O)(=O)c1cccc(C(=O)NC2(C#N)CCCC2)c1 ZINC000134544400 401905957 /nfs/dbraw/zinc/90/59/57/401905957.db2.gz SNCBPUWYJUQPIY-UHFFFAOYSA-N 0 0 306.387 2.046 10 30 DEEERN C#CCNC(=O)[C@H](C)N1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134826392 401915589 /nfs/dbraw/zinc/91/55/89/401915589.db2.gz QGFWDIBJQAQRLQ-XJKSGUPXSA-N 0 0 316.376 2.001 10 30 DEEERN COC(=O)C1CCC(OS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000038847083 401923719 /nfs/dbraw/zinc/92/37/19/401923719.db2.gz MRURBGOWLIFKTQ-UHFFFAOYSA-N 0 0 312.387 2.432 10 30 DEEERN C=C(C)CN(CC)C(=O)NC1CCN(c2ncccn2)CC1 ZINC000045711773 401960817 /nfs/dbraw/zinc/96/08/17/401960817.db2.gz XRVFRPPILIYWSG-UHFFFAOYSA-N 0 0 303.410 2.053 10 30 DEEERN CCOC(=O)C[C@H](C)CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000089787604 401963819 /nfs/dbraw/zinc/96/38/19/401963819.db2.gz BENZLVFGJMIWLF-QWHCGFSZSA-N 0 0 318.373 2.031 10 30 DEEERN Cc1cccc(S(=O)(=O)N2CCOc3ccccc32)c1C#N ZINC000137245895 401981305 /nfs/dbraw/zinc/98/13/05/401981305.db2.gz PACQUPKDHVNZHD-UHFFFAOYSA-N 0 0 314.366 2.454 10 30 DEEERN CCCC[C@@H](NC(=O)NCC)C(=O)NCc1cccc(C#N)c1 ZINC000137254256 401981489 /nfs/dbraw/zinc/98/14/89/401981489.db2.gz BDSPEXZZZKZOSI-OAHLLOKOSA-N 0 0 316.405 2.052 10 30 DEEERN C[C@]1(C(=O)N2CCCN(c3ccccc3C#N)CC2)CCCO1 ZINC000120518034 401992721 /nfs/dbraw/zinc/99/27/21/401992721.db2.gz STRVQMVJAQZRHH-GOSISDBHSA-N 0 0 313.401 2.166 10 30 DEEERN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000135521060 401942857 /nfs/dbraw/zinc/94/28/57/401942857.db2.gz AWENHGNKRDOVQN-CZUORRHYSA-N 0 0 322.430 2.277 10 30 DEEERN C=CCCS(=O)(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000121226787 402021647 /nfs/dbraw/zinc/02/16/47/402021647.db2.gz RPUVUISXJBGKSV-UHFFFAOYSA-N 0 0 311.407 2.212 10 30 DEEERN Cc1noc([C@H](C)N2CCN(Cc3ccc(C#N)s3)CC2)n1 ZINC000121321757 402028342 /nfs/dbraw/zinc/02/83/42/402028342.db2.gz SWZFBKXEWRKGOV-NSHDSACASA-N 0 0 317.418 2.190 10 30 DEEERN CC(C)c1noc(CCCNC(=O)c2sccc2C#N)n1 ZINC000052050640 402038910 /nfs/dbraw/zinc/03/89/10/402038910.db2.gz SSVHMFBGVHZUIJ-UHFFFAOYSA-N 0 0 304.375 2.489 10 30 DEEERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NS(=O)(=O)CCCC#N ZINC000152966693 402119863 /nfs/dbraw/zinc/11/98/63/402119863.db2.gz HKPWETGEQGLUGY-GFCCVEGCSA-N 0 0 312.439 2.231 10 30 DEEERN CC(C)[C@@H](NC(=O)Cn1ccnc1C#N)c1ccc(F)cc1 ZINC000152192971 402081377 /nfs/dbraw/zinc/08/13/77/402081377.db2.gz TZOUEMSBESXRTI-MRXNPFEDSA-N 0 0 300.337 2.407 10 30 DEEERN C#CCOCCC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000152675051 402103782 /nfs/dbraw/zinc/10/37/82/402103782.db2.gz HEFXXMGZJWXEGV-HOCLYGCPSA-N 0 0 301.386 2.440 10 30 DEEERN CCOC(=O)CC[C@@H](C)NC(=O)c1ccccc1OCC#N ZINC000152724838 402105266 /nfs/dbraw/zinc/10/52/66/402105266.db2.gz OMXQAVJZGFXFQC-GFCCVEGCSA-N 0 0 304.346 2.051 10 30 DEEERN C#CCCNC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000364658600 404490163 /nfs/dbraw/zinc/49/01/63/404490163.db2.gz MOLKLCHWBUHVIB-CYBMUJFWSA-N 0 0 309.410 2.099 10 30 DEEERN COc1cc(Br)ccc1C(=O)N[C@H](C#N)C1CC1 ZINC000122202549 402066281 /nfs/dbraw/zinc/06/62/81/402066281.db2.gz AUSSVLQXZVBGKT-LLVKDONJSA-N 0 0 309.163 2.490 10 30 DEEERN CC(C)COC1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000054322034 402066303 /nfs/dbraw/zinc/06/63/03/402066303.db2.gz CWJLLLOCBPTZGT-KRWDZBQOSA-N 0 0 309.454 2.178 10 30 DEEERN Cc1ccc(N2C[C@H](C(=O)N[C@](C)(C#N)C(C)C)CC2=O)cc1 ZINC000122214460 402067253 /nfs/dbraw/zinc/06/72/53/402067253.db2.gz VCHROTKBYYEKPE-RDTXWAMCSA-N 0 0 313.401 2.402 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)N[C@H]3CCCSC3)C2)cc1 ZINC000153338588 402140035 /nfs/dbraw/zinc/14/00/35/402140035.db2.gz SUSGWARAQHYRPO-ZDUSSCGKSA-N 0 0 317.414 2.226 10 30 DEEERN CC(C)(C)C(=O)N1CCCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000066729024 402140556 /nfs/dbraw/zinc/14/05/56/402140556.db2.gz ADUQLKQSWGIVGI-UHFFFAOYSA-N 0 0 313.401 2.279 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000068539764 402201438 /nfs/dbraw/zinc/20/14/38/402201438.db2.gz NOPRRGJLICQZSP-CHWSQXEVSA-N 0 0 302.374 2.351 10 30 DEEERN C#Cc1cccc(N(CC)C(=O)[C@@H]2CSCN2C(=O)CC)c1 ZINC000103027024 402176658 /nfs/dbraw/zinc/17/66/58/402176658.db2.gz IWTBHZVMQOAJAT-HNNXBMFYSA-N 0 0 316.426 2.332 10 30 DEEERN CN(C)c1ncc(NC(=O)N(C)Cc2ccc(C#N)cc2)cn1 ZINC000154728078 402228287 /nfs/dbraw/zinc/22/82/87/402228287.db2.gz QJIBGBXKZJNRBX-UHFFFAOYSA-N 0 0 310.361 2.078 10 30 DEEERN CCN(CCc1nccs1)S(=O)(=O)CCCCC#N ZINC000155404621 402255684 /nfs/dbraw/zinc/25/56/84/402255684.db2.gz NBYFBZGUNFDLTC-UHFFFAOYSA-N 0 0 301.437 2.031 10 30 DEEERN CC(C)NC(=O)Nc1cccc(C(=O)N[C@@H](C#N)C2CC2)c1 ZINC000108832930 402262431 /nfs/dbraw/zinc/26/24/31/402262431.db2.gz BDGQHFITAHMRNW-AWEZNQCLSA-N 0 0 300.362 2.248 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000184598011 402281839 /nfs/dbraw/zinc/28/18/39/402281839.db2.gz SAHWMRQVEMIAFW-VXGBXAGGSA-N 0 0 313.344 2.423 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000184839946 402303096 /nfs/dbraw/zinc/30/30/96/402303096.db2.gz KTCQIAMESBAPDN-AWEZNQCLSA-N 0 0 305.422 2.184 10 30 DEEERN CC(C)C[C@@H](CO)N(C)C(=O)NCc1ccc(C#N)cc1F ZINC000185383160 402348630 /nfs/dbraw/zinc/34/86/30/402348630.db2.gz RZMPRRGYEHFNNX-AWEZNQCLSA-N 0 0 307.369 2.246 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000185410052 402350735 /nfs/dbraw/zinc/35/07/35/402350735.db2.gz CNIJRIMCDIJHJQ-GTNSWQLSSA-N 0 0 315.373 2.282 10 30 DEEERN Cc1cc(C)n([C@H](C)C(=O)Nc2nn(C(C)C)cc2C#N)n1 ZINC000177005901 402358658 /nfs/dbraw/zinc/35/86/58/402358658.db2.gz NHDOHYNBUCBWHP-GFCCVEGCSA-N 0 0 300.366 2.349 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000185584489 402362889 /nfs/dbraw/zinc/36/28/89/402362889.db2.gz UQAXMXDQAUVDCK-ZIAGYGMSSA-N 0 0 320.389 2.145 10 30 DEEERN N#Cc1nccn1Cc1nc2cc(Br)ccc2[nH]1 ZINC000185637759 402366723 /nfs/dbraw/zinc/36/67/23/402366723.db2.gz UFCUVDSATQFIAK-UHFFFAOYSA-N 0 0 302.135 2.442 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCCc1ccc(OC)cc1OC ZINC000185690023 402369095 /nfs/dbraw/zinc/36/90/95/402369095.db2.gz NJXGNGCWDSGIJW-CQSZACIVSA-N 0 0 307.390 2.080 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1c(F)cccc1Br ZINC000185917354 402389061 /nfs/dbraw/zinc/38/90/61/402389061.db2.gz SDWDJOWXKZOOIW-QMMMGPOBSA-N 0 0 302.143 2.255 10 30 DEEERN COc1ccccc1-c1nn(C)cc1C(=O)N[C@@H](C#N)C1CC1 ZINC000161678994 402395766 /nfs/dbraw/zinc/39/57/66/402395766.db2.gz SXXBBHUEPQUZPE-AWEZNQCLSA-N 0 0 310.357 2.128 10 30 DEEERN N#Cc1csc(C(=O)N2CCC(Cn3cccn3)CC2)c1 ZINC000177493223 402408736 /nfs/dbraw/zinc/40/87/36/402408736.db2.gz FUNRRTSQURGNDU-UHFFFAOYSA-N 0 0 300.387 2.369 10 30 DEEERN C=CCN(Cc1cn(C)nc1C(=O)OCC)CC(F)(F)F ZINC000186196200 402409611 /nfs/dbraw/zinc/40/96/11/402409611.db2.gz YXIGOFWDLGTGKF-UHFFFAOYSA-N 0 0 305.300 2.147 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)OC ZINC000186211270 402410939 /nfs/dbraw/zinc/41/09/39/402410939.db2.gz QJSFVWYIYVMXPL-ZFWWWQNUSA-N 0 0 319.401 2.442 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](C2N=NC(=S)N2C)C1 ZINC000186265345 402416210 /nfs/dbraw/zinc/41/62/10/402416210.db2.gz LGWCUKAAOVPSLA-NEPJUHHUSA-N 0 0 308.451 2.412 10 30 DEEERN COc1ccc(CSc2nnc(C(C)(C)C)n2N)cc1C#N ZINC000162634579 402426472 /nfs/dbraw/zinc/42/64/72/402426472.db2.gz HYXYCKWIFGQWPU-UHFFFAOYSA-N 0 0 317.418 2.462 10 30 DEEERN CC(C)(C)OC(=O)[C@@H]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000178056908 402456135 /nfs/dbraw/zinc/45/61/35/402456135.db2.gz AVTJVLGPYGDLGL-LLVKDONJSA-N 0 0 318.333 2.029 10 30 DEEERN N#Cc1c(F)cccc1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000186708249 402457788 /nfs/dbraw/zinc/45/77/88/402457788.db2.gz AMTUUHOBHVNXRG-UHFFFAOYSA-N 0 0 324.359 2.491 10 30 DEEERN C=CCNC(=O)[C@@H](C)N(C)Cc1csc([C@H](C)OCC)n1 ZINC000245445124 402461390 /nfs/dbraw/zinc/46/13/90/402461390.db2.gz KCCHBWVYMPODFA-NEPJUHHUSA-N 0 0 311.451 2.363 10 30 DEEERN C=CC[C@H](C(=O)N1CCN([C@H](CC)CO)CC1)c1ccccc1 ZINC000186989201 402476814 /nfs/dbraw/zinc/47/68/14/402476814.db2.gz VWHOQQQFXTVDHI-MSOLQXFVSA-N 0 0 316.445 2.261 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)c2sccc2C#N)C12CCOCC2 ZINC000187160046 402485966 /nfs/dbraw/zinc/48/59/66/402485966.db2.gz KABIIZBGWMNUEF-QWHCGFSZSA-N 0 0 320.414 2.324 10 30 DEEERN CN(CC1(CO)CC1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000187326941 402493736 /nfs/dbraw/zinc/49/37/36/402493736.db2.gz LTJGPISDJKLLGZ-HNNXBMFYSA-N 0 0 301.390 2.445 10 30 DEEERN CO[C@@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)CC[C@H]1C ZINC000187484406 402502857 /nfs/dbraw/zinc/50/28/57/402502857.db2.gz ZKPDQBMOUHIRQA-CZUORRHYSA-N 0 0 317.389 2.155 10 30 DEEERN CC(C)OC(=O)[C@@H](C)CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187528952 402503703 /nfs/dbraw/zinc/50/37/03/402503703.db2.gz YPNSUFKQBSJOLR-ZDUSSCGKSA-N 0 0 314.385 2.294 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cccc(CC#N)c3)[C@@H]2C1 ZINC000178835701 402545110 /nfs/dbraw/zinc/54/51/10/402545110.db2.gz KSBRIQUKNBTVGU-ZACQAIPSSA-N 0 0 314.385 2.161 10 30 DEEERN COc1ccc(Cn2nc(C(F)(F)F)ccc2=O)cc1C#N ZINC000178879638 402549716 /nfs/dbraw/zinc/54/97/16/402549716.db2.gz LKYKUAIFCCVCMD-UHFFFAOYSA-N 0 0 309.247 2.191 10 30 DEEERN C=CCn1c(S[C@@H]2CCNC2=O)nnc1-c1ccccc1 ZINC000179004359 402563986 /nfs/dbraw/zinc/56/39/86/402563986.db2.gz QKXJXKUKAAAKDP-GFCCVEGCSA-N 0 0 300.387 2.112 10 30 DEEERN N#CCCCCNC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000171512341 402590493 /nfs/dbraw/zinc/59/04/93/402590493.db2.gz YGPQVYVGSNTNBJ-OAHLLOKOSA-N 0 0 314.389 2.493 10 30 DEEERN C[C@@H](CC#N)NC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000179474072 402591626 /nfs/dbraw/zinc/59/16/26/402591626.db2.gz XRGSWEKUBHNHTG-NSHDSACASA-N 0 0 308.328 2.431 10 30 DEEERN C=CCN1CCC(NS(=O)(=O)c2cc(C)sc2C)CC1 ZINC000171537708 402592169 /nfs/dbraw/zinc/59/21/69/402592169.db2.gz RTNNEHIBLOMWLX-UHFFFAOYSA-N 0 0 314.476 2.294 10 30 DEEERN COc1ccc2nc(NC(=O)Cn3ccnc3C#N)sc2c1 ZINC000179888765 402602877 /nfs/dbraw/zinc/60/28/77/402602877.db2.gz RKWZNALRVYGVPC-UHFFFAOYSA-N 0 0 313.342 2.012 10 30 DEEERN Cn1ccnc1SCc1ccc(C(=O)N[C@H](C#N)C2CC2)o1 ZINC000171722541 402614962 /nfs/dbraw/zinc/61/49/62/402614962.db2.gz IDFDWHVSWJKBIE-GFCCVEGCSA-N 0 0 316.386 2.337 10 30 DEEERN C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccccc1 ZINC000248937446 402615314 /nfs/dbraw/zinc/61/53/14/402615314.db2.gz NLERYCPQCDFHEB-SJLPKXTDSA-N 0 0 321.380 2.439 10 30 DEEERN COC(=O)Cc1cccc(NC(=O)c2ccc(C#N)cc2C)n1 ZINC000190103316 402576238 /nfs/dbraw/zinc/57/62/38/402576238.db2.gz HTNRCGDVCJRSOM-UHFFFAOYSA-N 0 0 309.325 2.230 10 30 DEEERN COC(=O)CCN(Cc1ccccc1)C(=O)c1c[nH]c(C#N)c1 ZINC000181291818 402640298 /nfs/dbraw/zinc/64/02/98/402640298.db2.gz OVYMWRCEARGURX-UHFFFAOYSA-N 0 0 311.341 2.092 10 30 DEEERN CC(C)[C@H](C)NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000181648121 402653375 /nfs/dbraw/zinc/65/33/75/402653375.db2.gz ISFIMXDWWDJYKS-NEPJUHHUSA-N 0 0 303.362 2.077 10 30 DEEERN N#CCCCS(=O)(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000173601540 402705056 /nfs/dbraw/zinc/70/50/56/402705056.db2.gz WELPRCABEUHTRR-AWEZNQCLSA-N 0 0 300.424 2.044 10 30 DEEERN CC[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CCS1 ZINC000173794783 402713029 /nfs/dbraw/zinc/71/30/29/402713029.db2.gz DOAIAFSXWIBCFF-HNNXBMFYSA-N 0 0 319.430 2.474 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000182799022 402717040 /nfs/dbraw/zinc/71/70/40/402717040.db2.gz IXNYPZYUDCVOPK-LBPRGKRZSA-N 0 0 302.296 2.442 10 30 DEEERN N#CCCCCNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000172833172 402678064 /nfs/dbraw/zinc/67/80/64/402678064.db2.gz NYOGMRIIAMARNQ-UHFFFAOYSA-N 0 0 303.337 2.376 10 30 DEEERN C=CCNC(=O)CNC(=O)Nc1cc(F)ccc1OC(C)C ZINC000182297693 402679127 /nfs/dbraw/zinc/67/91/27/402679127.db2.gz FZVMCQXKUXVIBM-UHFFFAOYSA-N 0 0 309.341 2.037 10 30 DEEERN C#CCCCNC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000174075597 402725825 /nfs/dbraw/zinc/72/58/25/402725825.db2.gz DYCCLHAPNOGWFR-HNNXBMFYSA-N 0 0 313.401 2.460 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000183108063 402739465 /nfs/dbraw/zinc/73/94/65/402739465.db2.gz ZNALAECBEXOAFV-HNNXBMFYSA-N 0 0 303.406 2.023 10 30 DEEERN Cc1nc(CN2CCC[N@H+](CCCC(C)(C)C#N)CC2)no1 ZINC000174850083 402760174 /nfs/dbraw/zinc/76/01/74/402760174.db2.gz VNAFULZPPFSLEI-UHFFFAOYSA-N 0 0 305.426 2.216 10 30 DEEERN N#Cc1cc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)ccn1 ZINC000193274026 402769161 /nfs/dbraw/zinc/76/91/61/402769161.db2.gz JKHFTVWHVZWYID-OAHLLOKOSA-N 0 0 306.369 2.352 10 30 DEEERN C#CCNC(=O)c1ccc(N2CCC[C@@H](C(F)(F)F)C2)nc1 ZINC000193296717 402769954 /nfs/dbraw/zinc/76/99/54/402769954.db2.gz LMRZITMYOXREJD-GFCCVEGCSA-N 0 0 311.307 2.223 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000184239561 402829700 /nfs/dbraw/zinc/82/97/00/402829700.db2.gz RHOUGBKJJSEMDK-CHWSQXEVSA-N 0 0 324.446 2.374 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)C[C@H]2CCCCO2)cn1 ZINC000183647958 402785411 /nfs/dbraw/zinc/78/54/11/402785411.db2.gz SBHRTQZTTMDIBV-CQSZACIVSA-N 0 0 311.345 2.037 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000183666700 402787054 /nfs/dbraw/zinc/78/70/54/402787054.db2.gz ISHDSCOIGRZVNR-KGLIPLIRSA-N 0 0 323.824 2.155 10 30 DEEERN CC(=O)c1ccc(C#N)c(N2CCO[C@H](Cn3cc(C)cn3)C2)c1 ZINC000272579819 402955730 /nfs/dbraw/zinc/95/57/30/402955730.db2.gz UWZBEHCCNVMYCE-KRWDZBQOSA-N 0 0 324.384 2.171 10 30 DEEERN C#CCCNC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000266807422 402993081 /nfs/dbraw/zinc/99/30/81/402993081.db2.gz VFBUABRUZMEOCB-UHFFFAOYSA-N 0 0 302.374 2.464 10 30 DEEERN C#CCOc1ccccc1CN(C)Cc1nc([C@H](C)OC)no1 ZINC000267017826 403008447 /nfs/dbraw/zinc/00/84/47/403008447.db2.gz JNIWPBSDTLIKET-ZDUSSCGKSA-N 0 0 315.373 2.421 10 30 DEEERN C=CCN(CCc1ccccc1)S(=O)(=O)c1ccnn1CC ZINC000274450451 403056704 /nfs/dbraw/zinc/05/67/04/403056704.db2.gz IPZANJFDDJNBAS-UHFFFAOYSA-N 0 0 319.430 2.322 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC1CCN(c2nccs2)CC1 ZINC000281241623 403061626 /nfs/dbraw/zinc/06/16/26/403061626.db2.gz KXFGNHCALGPWQU-ZIAGYGMSSA-N 0 0 321.446 2.209 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)C(C)(C)c2cccs2)C1=O ZINC000281426217 403068001 /nfs/dbraw/zinc/06/80/01/403068001.db2.gz QKCURNBNYHHQAQ-LBPRGKRZSA-N 0 0 306.431 2.271 10 30 DEEERN C=C1CCN(c2nnc([C@@H]3COCCO3)n2CC(C)C)CC1 ZINC000282828047 403160680 /nfs/dbraw/zinc/16/06/80/403160680.db2.gz BONKMCJESSNKBG-AWEZNQCLSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC000282425669 403152842 /nfs/dbraw/zinc/15/28/42/403152842.db2.gz YFKZJQYICHKQBB-ZDUSSCGKSA-N 0 0 306.410 2.052 10 30 DEEERN C=CCn1c(-c2cc(C)oc2C)nnc1N1CCO[C@H](C#N)C1 ZINC000282555782 403156410 /nfs/dbraw/zinc/15/64/10/403156410.db2.gz JHHQOVREQIMERH-CYBMUJFWSA-N 0 0 313.361 2.070 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000277300773 403202991 /nfs/dbraw/zinc/20/29/91/403202991.db2.gz DLCVUUQBSFGPKU-UHFFFAOYSA-N 0 0 305.381 2.494 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CCN(CC(F)F)[C@@H](CC)C1 ZINC000283711313 403217416 /nfs/dbraw/zinc/21/74/16/403217416.db2.gz WKTGYULPPYRDGC-ZDUSSCGKSA-N 0 0 313.396 2.328 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCCc1c[nH]c2ccc(F)cc12 ZINC000283331648 403190127 /nfs/dbraw/zinc/19/01/27/403190127.db2.gz ZNZZUJSDFZPPBJ-CQSZACIVSA-N 0 0 319.380 2.476 10 30 DEEERN C[C@H]1c2nncn2CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000277021077 403196926 /nfs/dbraw/zinc/19/69/26/403196926.db2.gz ZTLWPDONAFJFDW-LBPRGKRZSA-N 0 0 307.357 2.050 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)Cc1cc(Cl)cn1C ZINC000297959066 403293541 /nfs/dbraw/zinc/29/35/41/403293541.db2.gz PIKPMHQALZYJNL-UHFFFAOYSA-N 0 0 311.813 2.062 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1 ZINC000277645666 403240631 /nfs/dbraw/zinc/24/06/31/403240631.db2.gz KLEOSWOGLMWWDH-INIZCTEOSA-N 0 0 324.424 2.301 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc2c(c1)N(C(=O)NCC)CC2 ZINC000277794756 403257680 /nfs/dbraw/zinc/25/76/80/403257680.db2.gz VFKDFUIGEVCJJT-UHFFFAOYSA-N 0 0 323.396 2.380 10 30 DEEERN C#CCCOc1ccc(CN2CCN(C(=O)C(C)C)CC2)cc1 ZINC000271049251 403257931 /nfs/dbraw/zinc/25/79/31/403257931.db2.gz UGDPFKLAGWNVOG-UHFFFAOYSA-N 0 0 314.429 2.389 10 30 DEEERN C[C@@]12CCN(S(=O)(=O)c3ccc(C#N)cc3)C[C@@H]1C2(F)F ZINC000292455010 403360629 /nfs/dbraw/zinc/36/06/29/403360629.db2.gz YJPVIUZBQVPIEX-QWHCGFSZSA-N 0 0 312.341 2.224 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CC(C)(C)CO ZINC000298024504 403305573 /nfs/dbraw/zinc/30/55/73/403305573.db2.gz QAMDUGLVRCCGMJ-MRXNPFEDSA-N 0 0 302.418 2.281 10 30 DEEERN C=CCN(CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 ZINC000342748075 403332809 /nfs/dbraw/zinc/33/28/09/403332809.db2.gz IEMUOXJOVOTOPI-ZDUSSCGKSA-N 0 0 315.385 2.182 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000285845705 403392611 /nfs/dbraw/zinc/39/26/11/403392611.db2.gz PARHNNGSTXISKN-RDJZCZTQSA-N 0 0 307.397 2.265 10 30 DEEERN C#Cc1ccccc1Cc1nc(C2(COC)CCOCC2)no1 ZINC000293148285 403401624 /nfs/dbraw/zinc/40/16/24/403401624.db2.gz KRNXSAWCFQSSPL-UHFFFAOYSA-N 0 0 312.369 2.336 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@H]1CCOc2ccccc21 ZINC000286047583 403437482 /nfs/dbraw/zinc/43/74/82/403437482.db2.gz RWICRLWDULVKIH-CQSZACIVSA-N 0 0 316.401 2.094 10 30 DEEERN C[C@H](CC(=O)NCC#CCO)c1ccc(Br)cc1 ZINC000299161328 403537957 /nfs/dbraw/zinc/53/79/57/403537957.db2.gz ZOXRWFCVLZEVOI-LLVKDONJSA-N 0 0 310.191 2.055 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)c1ccco1 ZINC000287153523 403554686 /nfs/dbraw/zinc/55/46/86/403554686.db2.gz GGMDJNXLZCWIEO-GOEBONIOSA-N 0 0 324.380 2.149 10 30 DEEERN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000346429506 403589491 /nfs/dbraw/zinc/58/94/91/403589491.db2.gz CXRRGPRDXXAQCE-CQSZACIVSA-N 0 0 301.390 2.296 10 30 DEEERN C=CCSCCNC(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000288754557 403764537 /nfs/dbraw/zinc/76/45/37/403764537.db2.gz YJRYGHOZOQZUSE-UHFFFAOYSA-N 0 0 320.414 2.489 10 30 DEEERN C=CCOc1ccccc1CNC(=O)C(=O)NC[C@@H](C)C(C)C ZINC000347591216 403765063 /nfs/dbraw/zinc/76/50/63/403765063.db2.gz KRLZVPKBAXYMCE-CQSZACIVSA-N 0 0 318.417 2.276 10 30 DEEERN C=C(CC)CN1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000347482355 403725329 /nfs/dbraw/zinc/72/53/29/403725329.db2.gz UUAHZPQFSZOLSZ-GJZGRUSLSA-N 0 0 300.402 2.462 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@](C)(O)CCC ZINC000288118953 403728817 /nfs/dbraw/zinc/72/88/17/403728817.db2.gz JXLNDXVZMCACSM-WMZOPIPTSA-N 0 0 302.418 2.471 10 30 DEEERN C#CCOc1ccccc1CNC(=O)c1cnc(C2CC2)nc1 ZINC000294755245 403729436 /nfs/dbraw/zinc/72/94/36/403729436.db2.gz ASBYRVGOSCMLKE-UHFFFAOYSA-N 0 0 307.353 2.296 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CC[C@@H](O)C1 ZINC000288126635 403730036 /nfs/dbraw/zinc/73/00/36/403730036.db2.gz KKCDCHFOGYSAKK-GVDBMIGSSA-N 0 0 300.402 2.081 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](COC)c1ccc(F)c(F)c1 ZINC000288237553 403743267 /nfs/dbraw/zinc/74/32/67/403743267.db2.gz AWGMGTHCGYJYIF-INIZCTEOSA-N 0 0 305.324 2.431 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCC(O)(CC)CC ZINC000288360507 403746967 /nfs/dbraw/zinc/74/69/67/403746967.db2.gz ZQSWQMHPEQSRJQ-INIZCTEOSA-N 0 0 302.418 2.471 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)C[C@H]1CCOC[C@H]1OC ZINC000295088027 403755565 /nfs/dbraw/zinc/75/55/65/403755565.db2.gz WIJWNQFMEGNSPD-MLGOLLRUSA-N 0 0 321.348 2.218 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000288598758 403759364 /nfs/dbraw/zinc/75/93/64/403759364.db2.gz YKKFLDDYGOBGHU-UHFFFAOYSA-N 0 0 323.436 2.493 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000347749960 403842940 /nfs/dbraw/zinc/84/29/40/403842940.db2.gz JAEORWOZCVJMSF-TZMCWYRMSA-N 0 0 308.353 2.276 10 30 DEEERN C=CCCN(C)C(=O)C(=O)Nc1cccc(Cl)c1C(=O)OC ZINC000411436906 403857666 /nfs/dbraw/zinc/85/76/66/403857666.db2.gz IOZJMSXINHGOIS-UHFFFAOYSA-N 0 0 324.764 2.100 10 30 DEEERN C=CCNC(=O)c1ccccc1NCc1cnc(OC)nc1C ZINC000347857428 403912864 /nfs/dbraw/zinc/91/28/64/403912864.db2.gz XCQIACIMHDYKFW-UHFFFAOYSA-N 0 0 312.373 2.322 10 30 DEEERN C=CCOCCCC(=O)NCCc1cnc2c(Cl)cnn2c1 ZINC000295447778 403929329 /nfs/dbraw/zinc/92/93/29/403929329.db2.gz RHEKAEDEVQUSRW-UHFFFAOYSA-N 0 0 322.796 2.024 10 30 DEEERN C=C[C@](C)(CC)C(=O)N[C@H](Cc1ccccn1)C(=O)OCC ZINC000362179659 403933147 /nfs/dbraw/zinc/93/31/47/403933147.db2.gz FVPWEFRJXXNSDG-RHSMWYFYSA-N 0 0 304.390 2.274 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N(C[C@H](C)O)C(C)C)cc1 ZINC000362211879 403935685 /nfs/dbraw/zinc/93/56/85/403935685.db2.gz DUBMRSGVUKZAQS-ZDUSSCGKSA-N 0 0 319.405 2.226 10 30 DEEERN C#Cc1ccc(CNC(=O)c2cn(C3CC3)c(C)cc2=O)cc1 ZINC000295559666 403990118 /nfs/dbraw/zinc/99/01/18/403990118.db2.gz UFSKSSGPCSMUNC-UHFFFAOYSA-N 0 0 306.365 2.403 10 30 DEEERN CC(=O)c1cccc(OCC(=O)N[C@H]2CC[C@@H](CC#N)C2)c1 ZINC000295575760 403995825 /nfs/dbraw/zinc/99/58/25/403995825.db2.gz POBOBTMZECAFCE-ZFWWWQNUSA-N 0 0 300.358 2.467 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N(CC)C[C@H](C)CC ZINC000289859674 404003796 /nfs/dbraw/zinc/00/37/96/404003796.db2.gz YMLVUSYCBLYDFM-ZIAGYGMSSA-N 0 0 308.426 2.424 10 30 DEEERN C[C@@H]1CC[C@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)[C@@H](C)C1 ZINC000369287471 404032508 /nfs/dbraw/zinc/03/25/08/404032508.db2.gz HUODBARDVPVCCN-CLWVCHIJSA-N 0 0 304.438 2.193 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)c2cc(C#N)ccn2)cc1 ZINC000351964847 404040614 /nfs/dbraw/zinc/04/06/14/404040614.db2.gz PYRHXTCQLHOWTD-UHFFFAOYSA-N 0 0 306.325 2.121 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](c2ccncn2)C1 ZINC000363013521 404043989 /nfs/dbraw/zinc/04/39/89/404043989.db2.gz BTGLKIOCFVIUNS-OAHLLOKOSA-N 0 0 302.422 2.081 10 30 DEEERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Cc2ccc(OC)cc2)C1 ZINC000328620805 404117079 /nfs/dbraw/zinc/11/70/79/404117079.db2.gz ACXONMYIHPTDFO-UHFFFAOYSA-N 0 0 320.389 2.132 10 30 DEEERN Cc1nscc1C(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000328630856 404119660 /nfs/dbraw/zinc/11/96/60/404119660.db2.gz QHWKGZWBNUWDAY-QWHCGFSZSA-N 0 0 306.391 2.410 10 30 DEEERN C=CCCCN1C(=O)N[C@H](c2ccc(OC)cc2OC)C1=O ZINC000349065953 404121049 /nfs/dbraw/zinc/12/10/49/404121049.db2.gz APYDUSYVBCOGIH-CQSZACIVSA-N 0 0 304.346 2.263 10 30 DEEERN N#C[C@@H]1CN(C(=O)C2(Cc3ccccc3)CC2)CCN1C1CC1 ZINC000363319414 404149630 /nfs/dbraw/zinc/14/96/30/404149630.db2.gz IHSMELGVRYAWCF-QGZVFWFLSA-N 0 0 309.413 2.208 10 30 DEEERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000328931026 404176504 /nfs/dbraw/zinc/17/65/04/404176504.db2.gz HTCPYKKQIWSENE-RBSFLKMASA-N 0 0 320.437 2.421 10 30 DEEERN CC(=O)N[C@@H](CC(=O)N1CCN(C2CC2)CC1)c1cccs1 ZINC000329042393 404210471 /nfs/dbraw/zinc/21/04/71/404210471.db2.gz OQHLQEJNVHGWEG-AWEZNQCLSA-N 0 0 321.446 2.462 10 30 DEEERN C#Cc1ccc(CNC(=O)NCC[S@](=O)C(C)(C)C)cc1 ZINC000296428892 404243468 /nfs/dbraw/zinc/24/34/68/404243468.db2.gz NKXHSYAZBWDPKH-NRFANRHFSA-N 0 0 306.431 2.014 10 30 DEEERN COc1cc(C#N)ccc1CN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000369856552 404250220 /nfs/dbraw/zinc/25/02/20/404250220.db2.gz NSXLQTDZIUGJGW-SFHVURJKSA-N 0 0 316.401 2.337 10 30 DEEERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCOCC1 ZINC000329198262 404262362 /nfs/dbraw/zinc/26/23/62/404262362.db2.gz ALMGXPLGRWYKNF-YNEHKIRRSA-N 0 0 303.424 2.115 10 30 DEEERN C#CCCNC(=O)N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000363995539 404278725 /nfs/dbraw/zinc/27/87/25/404278725.db2.gz DANXZVOWSGHPOW-OAHLLOKOSA-N 0 0 316.792 2.485 10 30 DEEERN Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CCC[C@H](C2CC2)C1 ZINC000329260528 404281360 /nfs/dbraw/zinc/28/13/60/404281360.db2.gz AYXZRDOOERKSGJ-KKUMJFAQSA-N 0 0 318.421 2.286 10 30 DEEERN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000329400541 404326547 /nfs/dbraw/zinc/32/65/47/404326547.db2.gz XUVWPBSLCOBHQS-JSGCOSHPSA-N 0 0 320.393 2.293 10 30 DEEERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCCC(=O)N1 ZINC000329445117 404338028 /nfs/dbraw/zinc/33/80/28/404338028.db2.gz KTJCCASMSMQZMA-QJPTWQEYSA-N 0 0 316.423 2.198 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1sc(C(C)(C)OC)nc1C ZINC000355457378 404338278 /nfs/dbraw/zinc/33/82/78/404338278.db2.gz PSMGRJCNINMCJB-LLVKDONJSA-N 0 0 312.435 2.247 10 30 DEEERN C#CCOc1ccc(CNC(=O)NCCc2ncccc2C)cc1 ZINC000296846632 404340384 /nfs/dbraw/zinc/34/03/84/404340384.db2.gz UJWFJTHTIIUVEL-UHFFFAOYSA-N 0 0 323.396 2.444 10 30 DEEERN N#Cc1cnccc1N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000364320754 404346042 /nfs/dbraw/zinc/34/60/42/404346042.db2.gz DAVOQRWPKSCNGE-UHFFFAOYSA-N 0 0 316.368 2.156 10 30 DEEERN C[C@H](NC(=O)NC[C@@H]1CCCn2ccnc21)[C@@H]1CCCCO1 ZINC000329499782 404357820 /nfs/dbraw/zinc/35/78/20/404357820.db2.gz VQCYUQAJCDLUDN-IHRRRGAJSA-N 0 0 306.410 2.222 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@H](O)C2CCCCC2)cc1 ZINC000296543015 404298933 /nfs/dbraw/zinc/29/89/33/404298933.db2.gz BBPOPPUIEMFDBY-KRWDZBQOSA-N 0 0 300.402 2.408 10 30 DEEERN COc1cccc([C@H]2CCCN2C(=O)Cn2ccnc2C#N)c1 ZINC000364053325 404301021 /nfs/dbraw/zinc/30/10/21/404301021.db2.gz DOELRKUSDRAWQC-OAHLLOKOSA-N 0 0 310.357 2.127 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CCN(Cc3ccco3)CC2)cc1 ZINC000296555725 404303860 /nfs/dbraw/zinc/30/38/60/404303860.db2.gz CDGMJRATQKHETA-UHFFFAOYSA-N 0 0 323.396 2.288 10 30 DEEERN O=C(N[C@@H]1CCCCC[C@H]1O)[C@H]1COCCN1CC1CCC1 ZINC000329348018 404310221 /nfs/dbraw/zinc/31/02/21/404310221.db2.gz VTUJTSBUMXWJNW-BZUAXINKSA-N 0 0 310.438 2.137 10 30 DEEERN C#CCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000364082388 404312726 /nfs/dbraw/zinc/31/27/26/404312726.db2.gz RNWUTHNFAMYBEP-XHSDSOJGSA-N 0 0 312.417 2.144 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000355738466 404365054 /nfs/dbraw/zinc/36/50/54/404365054.db2.gz ZVONUSWTRQGXFO-LSDHHAIUSA-N 0 0 322.449 2.265 10 30 DEEERN C=C[C@@](C)(O)CC(=O)Nc1cccc(N(C)C(=O)NCC)c1 ZINC000356090103 404391029 /nfs/dbraw/zinc/39/10/29/404391029.db2.gz DNWQRHRSRIVFAP-MRXNPFEDSA-N 0 0 305.378 2.118 10 30 DEEERN O=C(NCCc1cn[nH]c1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329634712 404402856 /nfs/dbraw/zinc/40/28/56/404402856.db2.gz XHGBLDPAKHSMMX-OAHLLOKOSA-N 0 0 306.410 2.147 10 30 DEEERN C=CCn1c(Cc2ccsc2)nnc1N1CCOC[C@@H]1C ZINC000350597944 404421399 /nfs/dbraw/zinc/42/13/99/404421399.db2.gz LLNVNYZLSSBLLQ-LBPRGKRZSA-N 0 0 304.419 2.342 10 30 DEEERN C[C@H](Cn1cccn1)NC(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329684238 404422006 /nfs/dbraw/zinc/42/20/06/404422006.db2.gz UCYPKHHJDXLQDY-GDBMZVCRSA-N 0 0 320.437 2.467 10 30 DEEERN C=CCn1c(-c2ncccc2C)nnc1N1CCCO[C@H](C)C1 ZINC000351077151 404510712 /nfs/dbraw/zinc/51/07/12/404510712.db2.gz UYOOZXBOAOGBGB-CQSZACIVSA-N 0 0 313.405 2.450 10 30 DEEERN CN(C[C@H]1CC[N@H+](C)C1)c1ncc(Br)cc1C#N ZINC000297244202 404516847 /nfs/dbraw/zinc/51/68/47/404516847.db2.gz UYFIGLDNUOXZAV-JTQLQIEISA-N 0 0 309.211 2.104 10 30 DEEERN O=C(N[C@H]1CC[C@H](O)CC1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329833419 404465257 /nfs/dbraw/zinc/46/52/57/404465257.db2.gz KRHJLPHUCNUHHN-BZUAXINKSA-N 0 0 310.438 2.485 10 30 DEEERN O=C(CN1CCO[C@H](C2CC2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000330129583 404560243 /nfs/dbraw/zinc/56/02/43/404560243.db2.gz KAGODVLNWARTKF-WBVHZDCISA-N 0 0 316.401 2.057 10 30 DEEERN C[C@@H]1C[C@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CCO1 ZINC000330147976 404564497 /nfs/dbraw/zinc/56/44/97/404564497.db2.gz LZSSTZWQHCEYKQ-RGCMKSIDSA-N 0 0 307.394 2.269 10 30 DEEERN C=CCn1c(CC(C)C)nnc1N(C[C@H]1CCC(=O)N1)C(C)C ZINC000414518796 404664989 /nfs/dbraw/zinc/66/49/89/404664989.db2.gz SVIKZTUFOXQRLH-CQSZACIVSA-N 0 0 319.453 2.156 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000297781018 404619851 /nfs/dbraw/zinc/61/98/51/404619851.db2.gz HVIRJPRMCTTXAG-AWEZNQCLSA-N 0 0 322.430 2.073 10 30 DEEERN C=CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](C2CCC2)C1 ZINC000414515225 404664318 /nfs/dbraw/zinc/66/43/18/404664318.db2.gz LNRFFZOVTFHSSU-OAHLLOKOSA-N 0 0 313.405 2.465 10 30 DEEERN C=CCOc1ccc(CNC(=O)Nc2cn(C)nc2OC)cc1 ZINC000351544948 404635595 /nfs/dbraw/zinc/63/55/95/404635595.db2.gz YSIZTEQYBKFYQZ-UHFFFAOYSA-N 0 0 316.361 2.315 10 30 DEEERN C=CCNC(=O)CN1CCN([C@H](C)c2cccc(Cl)c2)CC1 ZINC000345245035 404636743 /nfs/dbraw/zinc/63/67/43/404636743.db2.gz QWBWOEBNTLXVIQ-CQSZACIVSA-N 0 0 321.852 2.321 10 30 DEEERN CN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[C@@H]1CCSC1 ZINC000357393464 404733613 /nfs/dbraw/zinc/73/36/13/404733613.db2.gz PLFIBZZTPQOYFN-IAQYHMDHSA-N 0 0 312.435 2.212 10 30 DEEERN CCCCC(=O)N1CSC[C@@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000356985041 404723863 /nfs/dbraw/zinc/72/38/63/404723863.db2.gz XIOFXEDGQUOJKA-CYBMUJFWSA-N 0 0 323.462 2.230 10 30 DEEERN C=CCCCC(=O)N[C@@H]1CCCN(Cc2noc(CC)n2)C1 ZINC000365821506 404726663 /nfs/dbraw/zinc/72/66/63/404726663.db2.gz ANERTINSYZPAHG-CYBMUJFWSA-N 0 0 306.410 2.069 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N1C[C@H](C(N)=O)CC[C@H]1C ZINC000358807134 404776151 /nfs/dbraw/zinc/77/61/51/404776151.db2.gz OXSOUDGBYDXPDK-CHWSQXEVSA-N 0 0 305.426 2.068 10 30 DEEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC1CC(F)(F)C1 ZINC000358851848 404778331 /nfs/dbraw/zinc/77/83/31/404778331.db2.gz JUAVBWAYBPROBC-CQSZACIVSA-N 0 0 316.348 2.410 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N[C@H](C)c1c(F)cccc1OC ZINC000358970253 404780599 /nfs/dbraw/zinc/78/05/99/404780599.db2.gz DFEPAMMGFQHHHG-LLVKDONJSA-N 0 0 308.353 2.046 10 30 DEEERN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCOC[C@H](C)C1 ZINC000359230208 404787304 /nfs/dbraw/zinc/78/73/04/404787304.db2.gz MQBAJDWPZOXGMY-CQSZACIVSA-N 0 0 313.405 2.389 10 30 DEEERN N#CCC[C@H](NC(=O)NC[C@H](CO)C1CC1)c1ccccc1 ZINC000359241964 404788071 /nfs/dbraw/zinc/78/80/71/404788071.db2.gz MOHYIXWPKDANBK-CVEARBPZSA-N 0 0 301.390 2.349 10 30 DEEERN C=CCN(CCC#N)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000359387411 404792419 /nfs/dbraw/zinc/79/24/19/404792419.db2.gz ZBSFOBJESXFSLD-INIZCTEOSA-N 0 0 311.385 2.219 10 30 DEEERN C=CCN(C[C@H]1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC000359598038 404798428 /nfs/dbraw/zinc/79/84/28/404798428.db2.gz OZNDAGIFTHABFZ-YJBOKZPZSA-N 0 0 319.470 2.467 10 30 DEEERN C=C(C)[C@H](CC(=O)NCc1c2c(nn1C)CCCC2)OCC ZINC000360816559 404839244 /nfs/dbraw/zinc/83/92/44/404839244.db2.gz HSCRYUMEWIBQJB-INIZCTEOSA-N 0 0 305.422 2.286 10 30 DEEERN CC1(C#N)CCN(C(=O)NCc2ccnc(-n3cccn3)c2)CC1 ZINC000360645133 404833003 /nfs/dbraw/zinc/83/30/03/404833003.db2.gz YBOZCEKQVZSAAO-UHFFFAOYSA-N 0 0 324.388 2.103 10 30 DEEERN C=CCOC[C@H](NC1CC(c2ccc(F)cc2)C1)C(=O)OC ZINC000361109921 404923096 /nfs/dbraw/zinc/92/30/96/404923096.db2.gz GCWYJLFBOHRNPQ-BCLQGDPASA-N 0 0 307.365 2.406 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H]1CCO[C@H](CC(C)C)C1 ZINC000361131310 404936536 /nfs/dbraw/zinc/93/65/36/404936536.db2.gz IQZQLWLMLVNLTN-HUUCEWRRSA-N 0 0 310.438 2.121 10 30 DEEERN C=CCCCCNC(=O)CCC(=O)Nc1nnc(C2CC2)o1 ZINC000354114506 405050759 /nfs/dbraw/zinc/05/07/59/405050759.db2.gz IECKSNQJCQNFIN-UHFFFAOYSA-N 0 0 306.366 2.138 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)[C@H](c2ccccc2)N(C)C1=O ZINC000424616836 405130385 /nfs/dbraw/zinc/13/03/85/405130385.db2.gz GUHZYIRJSLOQKY-KKUMJFAQSA-N 0 0 300.358 2.213 10 30 DEEERN C=CCNC(=O)c1ccccc1N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000424564081 405117040 /nfs/dbraw/zinc/11/70/40/405117040.db2.gz LMFAWYFLEKUGJX-OAHLLOKOSA-N 0 0 315.417 2.414 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000408339990 405178199 /nfs/dbraw/zinc/17/81/99/405178199.db2.gz MSOCTTVDNOPEOY-KCJUWKMLSA-N 0 0 302.758 2.450 10 30 DEEERN C#CCCCNC(=O)N1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000367882968 405183302 /nfs/dbraw/zinc/18/33/02/405183302.db2.gz AODUBHZFFJZCBU-OAHLLOKOSA-N 0 0 321.421 2.196 10 30 DEEERN CC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)cc1Cl ZINC000437416315 405199796 /nfs/dbraw/zinc/19/97/96/405199796.db2.gz WMIYWXRCHHXKJY-SECBINFHSA-N 0 0 321.764 2.099 10 30 DEEERN C=CCCn1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)nn1 ZINC000424866715 405200472 /nfs/dbraw/zinc/20/04/72/405200472.db2.gz OWXHOLMPDAQHOB-BMFZPTHFSA-N 0 0 318.421 2.010 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(C)(C)COCC(F)F ZINC000437477945 405201009 /nfs/dbraw/zinc/20/10/09/405201009.db2.gz BDKOYMGSVSTUHV-WCQYABFASA-N 0 0 305.365 2.392 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1nccn1CC(C)C ZINC000437709449 405216118 /nfs/dbraw/zinc/21/61/18/405216118.db2.gz POWYICYRNJIDIP-HOCLYGCPSA-N 0 0 320.437 2.320 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1nccn1CC(C)C ZINC000437709448 405216204 /nfs/dbraw/zinc/21/62/04/405216204.db2.gz POWYICYRNJIDIP-GOEBONIOSA-N 0 0 320.437 2.320 10 30 DEEERN CCn1cc(C(=O)Nc2cc(C#N)ccn2)c(C(F)(F)F)n1 ZINC000439141402 405267941 /nfs/dbraw/zinc/26/79/41/405267941.db2.gz SFHQWRDZRABVLN-UHFFFAOYSA-N 0 0 309.251 2.441 10 30 DEEERN C=CCOc1cccnc1C(=O)N[C@H]1CC[C@@H](C(=O)OCC)C1 ZINC000437914197 405223838 /nfs/dbraw/zinc/22/38/38/405223838.db2.gz XWLQCFQTEINNLJ-OLZOCXBDSA-N 0 0 318.373 2.108 10 30 DEEERN C=C(C)CCNC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000452719395 405232988 /nfs/dbraw/zinc/23/29/88/405232988.db2.gz BRUNUNIZOAKOLR-MRXNPFEDSA-N 0 0 304.390 2.345 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000425674170 405312657 /nfs/dbraw/zinc/31/26/57/405312657.db2.gz ZXDHGPWGYHCEPH-GWCFXTLKSA-N 0 0 321.333 2.316 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc2ccccc21 ZINC000425781347 405319798 /nfs/dbraw/zinc/31/97/98/405319798.db2.gz HCTAIDHNCSENJR-YOEHRIQHSA-N 0 0 324.380 2.486 10 30 DEEERN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC23CC3)c1 ZINC000425809947 405321450 /nfs/dbraw/zinc/32/14/50/405321450.db2.gz XDRLRVXBSSFJAS-CQSZACIVSA-N 0 0 300.358 2.249 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(F)c(COC)c1 ZINC000425442765 405291487 /nfs/dbraw/zinc/29/14/87/405291487.db2.gz KCUODIHGNLJFMU-BBRMVZONSA-N 0 0 322.380 2.362 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CCc1ccccc1OC ZINC000425566373 405303993 /nfs/dbraw/zinc/30/39/93/405303993.db2.gz PYSATZZEBUYCDN-HOTGVXAUSA-N 0 0 318.417 2.470 10 30 DEEERN C=CC(C)(C)CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000455141893 405380590 /nfs/dbraw/zinc/38/05/90/405380590.db2.gz MBSINEBFHADCOZ-UHFFFAOYSA-N 0 0 310.361 2.473 10 30 DEEERN C=CC(C)(C)CNC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000455141108 405380758 /nfs/dbraw/zinc/38/07/58/405380758.db2.gz OLSCJNXNSLPXFF-GFCCVEGCSA-N 0 0 322.430 2.069 10 30 DEEERN C=C(C)CCNC(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000455331190 405398251 /nfs/dbraw/zinc/39/82/51/405398251.db2.gz WKRRQMRLPXSOKJ-AWEZNQCLSA-N 0 0 306.410 2.086 10 30 DEEERN C=CC(C)(C)CNC(=O)N1CCN(c2ccc(OC)cn2)CC1 ZINC000455383938 405403380 /nfs/dbraw/zinc/40/33/80/405403380.db2.gz LMSDJUNKWUGQRS-UHFFFAOYSA-N 0 0 318.421 2.134 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)Cc1cc(F)cc(OC)c1 ZINC000455606158 405433194 /nfs/dbraw/zinc/43/31/94/405433194.db2.gz NMQFWSCNEKEZHL-FZMZJTMJSA-N 0 0 310.369 2.002 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](O)CCSC ZINC000448816834 405451728 /nfs/dbraw/zinc/45/17/28/405451728.db2.gz APYRDLNEFNPSAZ-AWEZNQCLSA-N 0 0 324.402 2.223 10 30 DEEERN CCOc1ccc(Cl)c(NC(=O)[C@H](C)n2cnc(C#N)n2)c1 ZINC000456035548 405477495 /nfs/dbraw/zinc/47/74/95/405477495.db2.gz ASRWMPQRAGOYTL-VIFPVBQESA-N 0 0 319.752 2.402 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCC1(N2CCOCC2)CC1 ZINC000633189780 405493947 /nfs/dbraw/zinc/49/39/47/405493947.db2.gz BCQURRHYYVNQOE-UHFFFAOYSA-N 0 0 309.454 2.143 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCCC(C)(C)S(C)(=O)=O ZINC000633310272 405562686 /nfs/dbraw/zinc/56/26/86/405562686.db2.gz NQTWWCXIBBVBRQ-UHFFFAOYSA-N 0 0 318.483 2.491 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000458614719 405504277 /nfs/dbraw/zinc/50/42/77/405504277.db2.gz QORPTIVRTRMEBE-ZACQAIPSSA-N 0 0 318.417 2.391 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000458632943 405514256 /nfs/dbraw/zinc/51/42/56/405514256.db2.gz OPEKFNIENWOLTD-NSHDSACASA-N 0 0 316.323 2.273 10 30 DEEERN CC#CCN(C)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000458737979 405565166 /nfs/dbraw/zinc/56/51/66/405565166.db2.gz LMLRZWBFKPFYER-DLBZAZTESA-N 0 0 308.385 2.393 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528223886 405537769 /nfs/dbraw/zinc/53/77/69/405537769.db2.gz YJOSWCMIPBKWSI-HKZYLEAXSA-N 0 0 302.399 2.251 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000633410473 405628182 /nfs/dbraw/zinc/62/81/82/405628182.db2.gz NNZQKYFIRXXCIH-OAHLLOKOSA-N 0 0 309.454 2.095 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000633410759 405628238 /nfs/dbraw/zinc/62/82/38/405628238.db2.gz BWZAYXCFPHABDC-AWEZNQCLSA-N 0 0 322.453 2.224 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N(CC)[C@H](C)CS(C)(=O)=O ZINC000633411257 405629048 /nfs/dbraw/zinc/62/90/48/405629048.db2.gz MAUNEKNUCYVCFA-CYBMUJFWSA-N 0 0 318.483 2.443 10 30 DEEERN N#Cc1cnc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)c(Cl)c1 ZINC000557038775 405572416 /nfs/dbraw/zinc/57/24/16/405572416.db2.gz CUWVZMURZVUWQE-GFCCVEGCSA-N 0 0 301.737 2.307 10 30 DEEERN C=CC(C)(C)CNC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000458987236 405678856 /nfs/dbraw/zinc/67/88/56/405678856.db2.gz LODVBOKXFRMXAA-AWEZNQCLSA-N 0 0 307.438 2.243 10 30 DEEERN C=C(C)CCNC(=O)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000458989180 405680017 /nfs/dbraw/zinc/68/00/17/405680017.db2.gz AWESQBOPXJTZFL-NVXWUHKLSA-N 0 0 306.381 2.462 10 30 DEEERN C=CCC[C@@H](C(=O)NCCn1cnccc1=O)c1ccccc1 ZINC000633556490 405714141 /nfs/dbraw/zinc/71/41/41/405714141.db2.gz CTBORHHPHPQECK-MRXNPFEDSA-N 0 0 311.385 2.110 10 30 DEEERN CC#CC[C@H](CO)NC(=O)C1(c2nccc3ccccc32)CC1 ZINC000633583893 405729040 /nfs/dbraw/zinc/72/90/40/405729040.db2.gz GXPPNLRAADATIC-OAHLLOKOSA-N 0 0 308.381 2.157 10 30 DEEERN CC#CC[C@H](CO)NC(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000636111028 405747953 /nfs/dbraw/zinc/74/79/53/405747953.db2.gz IXGKZJOIZWNUDE-SSDOTTSWSA-N 0 0 319.163 2.219 10 30 DEEERN C=CCC1(NC(=O)Cc2cn3cc(C)sc3n2)CCOCC1 ZINC000633642497 405762411 /nfs/dbraw/zinc/76/24/11/405762411.db2.gz WNTDXLMTDDXANN-UHFFFAOYSA-N 0 0 319.430 2.488 10 30 DEEERN C=CCOCCCNC(=O)[C@H](C)n1ccc(C(F)(F)F)n1 ZINC000633628967 405753864 /nfs/dbraw/zinc/75/38/64/405753864.db2.gz ZSNWYSADUWCEEN-JTQLQIEISA-N 0 0 305.300 2.172 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)C(=O)NCCc1ccccc1 ZINC000457280008 405777014 /nfs/dbraw/zinc/77/70/14/405777014.db2.gz PXZRCCXHVRNZEB-HUUCEWRRSA-N 0 0 302.418 2.452 10 30 DEEERN C=CCOCCCNC(=O)Cn1nc(C(F)F)cc1C1CC1 ZINC000636200527 405810140 /nfs/dbraw/zinc/81/01/40/405810140.db2.gz NTGZZTFYWGFJBY-UHFFFAOYSA-N 0 0 313.348 2.407 10 30 DEEERN C=C[C@H](CO)NC(=O)C(C)(C)c1cccc(C(F)(F)F)n1 ZINC000633650769 405766788 /nfs/dbraw/zinc/76/67/88/405766788.db2.gz YIMIAEKTZSLCRB-SECBINFHSA-N 0 0 302.296 2.041 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NCc1cc(=O)[nH]c(C2CCC2)n1 ZINC000636319996 405887023 /nfs/dbraw/zinc/88/70/23/405887023.db2.gz AOMHAYRCTJXAHE-QGZVFWFLSA-N 0 0 319.405 2.295 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@]1(O)CCCC(C)(C)CC1 ZINC000633890499 405892437 /nfs/dbraw/zinc/89/24/37/405892437.db2.gz XPYDGRQATKNIIB-YJBOKZPZSA-N 0 0 324.465 2.295 10 30 DEEERN COc1ccc(OC)c(CCNC(=O)Cc2cccc(C#N)c2)c1 ZINC000530668412 405843089 /nfs/dbraw/zinc/84/30/89/405843089.db2.gz YIRDYRGFIOJHRY-UHFFFAOYSA-N 0 0 324.380 2.477 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)NCc1ccccc1OCCO ZINC000495235339 405851261 /nfs/dbraw/zinc/85/12/61/405851261.db2.gz ZKIOFTUPPPKPEN-OAHLLOKOSA-N 0 0 304.390 2.308 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccn(Cc3ccccc3)n2)C1=O ZINC000630980469 405950058 /nfs/dbraw/zinc/95/00/58/405950058.db2.gz BETHLAASDHXXIG-INIZCTEOSA-N 0 0 324.384 2.318 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC1(CNC(=O)[C@@H](C)CC(=C)C)COC1 ZINC000633918074 405906712 /nfs/dbraw/zinc/90/67/12/405906712.db2.gz ZWFAOFCSNNKSPO-LSDHHAIUSA-N 0 0 322.449 2.192 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCc1c(F)cccc1F ZINC000636548393 406004790 /nfs/dbraw/zinc/00/47/90/406004790.db2.gz KUHFHNDCCLQFLX-UHFFFAOYSA-N 0 0 324.371 2.342 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1c(F)cc(OC)cc1Cl ZINC000632296325 406082586 /nfs/dbraw/zinc/08/25/86/406082586.db2.gz HITRZUJXLASUIH-VIFPVBQESA-N 0 0 301.745 2.402 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](CC)C1CCOCC1 ZINC000636810420 406087898 /nfs/dbraw/zinc/08/78/98/406087898.db2.gz DFOAHCLNJHPGRU-CQSZACIVSA-N 0 0 310.438 2.026 10 30 DEEERN C=CCCOCCNC(=O)C(=O)NCC[C@H]1CCCC1(C)C ZINC000636826313 406092461 /nfs/dbraw/zinc/09/24/61/406092461.db2.gz JHGHMEOOJWQFIA-CQSZACIVSA-N 0 0 310.438 2.028 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000567179656 406094260 /nfs/dbraw/zinc/09/42/60/406094260.db2.gz OCGMGIFTBIGXAF-ZDUSSCGKSA-N 0 0 310.438 2.311 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000562763161 406054521 /nfs/dbraw/zinc/05/45/21/406054521.db2.gz ZZWIBCAZXZVRSJ-KGLIPLIRSA-N 0 0 318.348 2.004 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1CSc2ccccc2O1 ZINC000514933912 406055573 /nfs/dbraw/zinc/05/55/73/406055573.db2.gz DEXNKHMMBHWPNR-XQQFMLRXSA-N 0 0 320.414 2.182 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000562876093 406056254 /nfs/dbraw/zinc/05/62/54/406056254.db2.gz OTRVGOCVKOCCLR-KFWWJZLASA-N 0 0 302.374 2.461 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc2c(c1)CCCO2 ZINC000565006988 406068860 /nfs/dbraw/zinc/06/88/60/406068860.db2.gz ZMZOGUGXZUKCNV-HOTGVXAUSA-N 0 0 301.386 2.261 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1sc(C)nc1C ZINC000636756513 406073727 /nfs/dbraw/zinc/07/37/27/406073727.db2.gz FNZIJXBGHGGPFA-UHFFFAOYSA-N 0 0 309.435 2.095 10 30 DEEERN C=CCn1c(COCCOC)nnc1N1C[C@H](C)CC[C@H]1C ZINC000634340013 406105950 /nfs/dbraw/zinc/10/59/50/406105950.db2.gz YCXFPXKNUUHWEI-ZIAGYGMSSA-N 0 0 308.426 2.252 10 30 DEEERN C=CCn1c(COC)nnc1N(C)Cc1c(C)nn(CC)c1C ZINC000634341183 406107658 /nfs/dbraw/zinc/10/76/58/406107658.db2.gz NNXQCTTXDGYMFD-UHFFFAOYSA-N 0 0 318.425 2.080 10 30 DEEERN C=CCC1(CNS(=O)(=O)c2c[nH]c(=O)s2)CCCC1 ZINC000632419050 406129872 /nfs/dbraw/zinc/12/98/72/406129872.db2.gz UUAGLGZKQLDFKM-UHFFFAOYSA-N 0 0 302.421 2.264 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H]1CCO[C@H](CC)C1 ZINC000636976617 406139295 /nfs/dbraw/zinc/13/92/95/406139295.db2.gz JIDZCBVBARFOLJ-UONOGXRCSA-N 0 0 310.438 2.169 10 30 DEEERN C=C1CC(C)(C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1 ZINC000632444037 406140957 /nfs/dbraw/zinc/14/09/57/406140957.db2.gz LONJALLTHDSOHV-UHFFFAOYSA-N 0 0 320.414 2.304 10 30 DEEERN C=CCCOCCNC(=O)N[C@@](C)(CO)Cc1ccc(F)cc1 ZINC000636983624 406141557 /nfs/dbraw/zinc/14/15/57/406141557.db2.gz LTCDYJPZYRGHMK-QGZVFWFLSA-N 0 0 324.396 2.011 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000632446844 406142030 /nfs/dbraw/zinc/14/20/30/406142030.db2.gz DVMQXUXVRIGGDR-SECBINFHSA-N 0 0 322.352 2.234 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(OC)c(COC)c1 ZINC000634480136 406146816 /nfs/dbraw/zinc/14/68/16/406146816.db2.gz AVOVSAQDGNHCRU-HNNXBMFYSA-N 0 0 320.389 2.251 10 30 DEEERN C=C[C@](C)(O)CC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC000634482799 406148301 /nfs/dbraw/zinc/14/83/01/406148301.db2.gz ZQJKZLKZUYNVRO-KRWDZBQOSA-N 0 0 318.373 2.309 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC[C@H]1CCCOC1 ZINC000637039155 406158016 /nfs/dbraw/zinc/15/80/16/406158016.db2.gz VCWFWSXGQXELPX-BZUAXINKSA-N 0 0 322.449 2.170 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000632543312 406176597 /nfs/dbraw/zinc/17/65/97/406176597.db2.gz XTRRAHTUKTZFGT-GJZGRUSLSA-N 0 0 324.465 2.105 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccc2cccnc2c1 ZINC000632547579 406178454 /nfs/dbraw/zinc/17/84/54/406178454.db2.gz OXUUCUFUFWUQLX-UHFFFAOYSA-N 0 0 311.385 2.276 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CC(Cc2ccco2)C1 ZINC000637116916 406181537 /nfs/dbraw/zinc/18/15/37/406181537.db2.gz FMKBZAXARQECLZ-GDBMZVCRSA-N 0 0 304.390 2.445 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC000632591303 406193133 /nfs/dbraw/zinc/19/31/33/406193133.db2.gz SUQGASFJQIACEG-SECBINFHSA-N 0 0 323.340 2.026 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@H](c2ccc(O)cc2)C1 ZINC000637192451 406206710 /nfs/dbraw/zinc/20/67/10/406206710.db2.gz SMDSYEROBSREBM-IMJJTQAJSA-N 0 0 302.374 2.235 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1COc2ccc(F)cc2C1 ZINC000568478296 406218364 /nfs/dbraw/zinc/21/83/64/406218364.db2.gz BCZAKIRDZDQVRK-ZNMIVQPWSA-N 0 0 320.364 2.162 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1cccnc1C ZINC000637090854 406174137 /nfs/dbraw/zinc/17/41/37/406174137.db2.gz PKCKHIPHTMNYRE-GDBMZVCRSA-N 0 0 315.417 2.257 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](C4CC4)C3)cc2C1=O ZINC000534273899 406174563 /nfs/dbraw/zinc/17/45/63/406174563.db2.gz OHGOHUXAJDXJBF-AWEZNQCLSA-N 0 0 324.380 2.341 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000637284494 406243286 /nfs/dbraw/zinc/24/32/86/406243286.db2.gz HTHWSLCHINIEAF-ZIAGYGMSSA-N 0 0 307.438 2.241 10 30 DEEERN C[C@@H](C#N)CNC(=O)NCCc1ccccc1Br ZINC000519734783 406243355 /nfs/dbraw/zinc/24/33/55/406243355.db2.gz ZSDHVURWVRVSLY-JTQLQIEISA-N 0 0 310.195 2.450 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000637321747 406257961 /nfs/dbraw/zinc/25/79/61/406257961.db2.gz KJUHTPPCAPIUPZ-OAHLLOKOSA-N 0 0 309.454 2.095 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)NCC(C)(C)C(=O)N1CCCC1 ZINC000637500311 406329442 /nfs/dbraw/zinc/32/94/42/406329442.db2.gz YSGKXGPCEAJZFY-AWEZNQCLSA-N 0 0 307.438 2.385 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)NCc1ccc(C(C)(C)C)[nH]c1=O ZINC000637609677 406364326 /nfs/dbraw/zinc/36/43/26/406364326.db2.gz DKUIUGYUWNBHSE-GFCCVEGCSA-N 0 0 321.421 2.069 10 30 DEEERN CC#CC[C@H](CO)NC(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000637436106 406307558 /nfs/dbraw/zinc/30/75/58/406307558.db2.gz FDSQZXMTKFJGSL-HIFRSBDPSA-N 0 0 306.793 2.401 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@H]1CCN(C(=O)NCC)C1 ZINC000633116836 406384215 /nfs/dbraw/zinc/38/42/15/406384215.db2.gz CDSUYSMEWNLMMQ-ZDUSSCGKSA-N 0 0 310.442 2.082 10 30 DEEERN C=CCCOCCNC(=O)N(C)Cc1c(C)nn(CC)c1C ZINC000633140510 406393187 /nfs/dbraw/zinc/39/31/87/406393187.db2.gz UDCRMZNARHQKOZ-UHFFFAOYSA-N 0 0 308.426 2.254 10 30 DEEERN C=CCCCCCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000570529661 406406546 /nfs/dbraw/zinc/40/65/46/406406546.db2.gz SQTYZWLVSRCHCZ-UHFFFAOYSA-N 0 0 313.379 2.401 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000637621956 406369264 /nfs/dbraw/zinc/36/92/64/406369264.db2.gz UMOCMQWCSVVQBS-GASCZTMLSA-N 0 0 309.454 2.141 10 30 DEEERN C=CCN(Cc1ccc(C(F)F)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000637961847 406497214 /nfs/dbraw/zinc/49/72/14/406497214.db2.gz DRNJNRQLNJWDTA-LBPRGKRZSA-N 0 0 316.373 2.194 10 30 DEEERN C=CCCC(C)(C)NC(=O)C(=O)Nc1cnn2c1CCCC2 ZINC000635213810 406461688 /nfs/dbraw/zinc/46/16/88/406461688.db2.gz OYQZSMSYYSJOBC-UHFFFAOYSA-N 0 0 304.394 2.019 10 30 DEEERN N#CC1(C(=O)NCC[C@H]2COc3ccccc3O2)CCCC1 ZINC000571470420 406525252 /nfs/dbraw/zinc/52/52/52/406525252.db2.gz TYIGGWJAXOBIKI-ZDUSSCGKSA-N 0 0 300.358 2.417 10 30 DEEERN C=CCCC[N@@H+](C)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000572606104 406701229 /nfs/dbraw/zinc/70/12/29/406701229.db2.gz FCKCUWAUUJPTIC-UHFFFAOYSA-N 0 0 302.827 2.385 10 30 DEEERN C=CCCS(=O)(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000574388010 406782807 /nfs/dbraw/zinc/78/28/07/406782807.db2.gz AUUVFEVUCNSUEZ-UHFFFAOYSA-N 0 0 323.374 2.114 10 30 DEEERN N#Cc1cccc(CC(=O)NC2(C(F)(F)F)CCOCC2)c1 ZINC000553861029 406775910 /nfs/dbraw/zinc/77/59/10/406775910.db2.gz UEBGJRKVLFKEIN-UHFFFAOYSA-N 0 0 312.291 2.328 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCOc1ncccc1Cl ZINC000574859033 406786844 /nfs/dbraw/zinc/78/68/44/406786844.db2.gz KWROCFJMDUTNER-DGCLKSJQSA-N 0 0 310.781 2.211 10 30 DEEERN N#Cc1cc(O)c(OC(F)F)cc1I ZINC000575661532 406816251 /nfs/dbraw/zinc/81/62/51/406816251.db2.gz ICZOGOYDTOUURU-UHFFFAOYSA-N 0 0 311.025 2.470 10 30 DEEERN CCOC(=O)Cc1c(C#N)c(Br)ccc1[N+](=O)[O-] ZINC000575383586 406808225 /nfs/dbraw/zinc/80/82/25/406808225.db2.gz QVHLVDRFOSUGBP-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000576150208 406829106 /nfs/dbraw/zinc/82/91/06/406829106.db2.gz ITAFKTMZTPOQNU-LRDDRELGSA-N 0 0 315.348 2.332 10 30 DEEERN CN(C(=O)c1ccc(C#CCO)c(Cl)c1)c1cccnc1 ZINC000128919520 196003959 /nfs/dbraw/zinc/00/39/59/196003959.db2.gz DDZCPPDJUZHRBW-UHFFFAOYSA-N 0 0 300.745 2.355 10 30 DEEERN CC#CC[C@H](NN)c1csc(I)c1 ZINC000129423338 196047704 /nfs/dbraw/zinc/04/77/04/196047704.db2.gz BGGRDBFGTSQSRT-QMMMGPOBSA-N 0 0 306.172 2.271 10 30 DEEERN C=CCN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000131264705 196155726 /nfs/dbraw/zinc/15/57/26/196155726.db2.gz OXSDYORFHJHQJJ-UHFFFAOYSA-N 0 0 300.311 2.073 10 30 DEEERN COc1ccc(C#N)cc1CS(=O)(=O)c1cccc(N)c1 ZINC000132085712 196224897 /nfs/dbraw/zinc/22/48/97/196224897.db2.gz YBUCYTHKTWIIGM-UHFFFAOYSA-N 0 0 302.355 2.123 10 30 DEEERN CSCC[C@@H](C)NC(=O)c1ccc(F)cc1C#CCCO ZINC000132348675 196248403 /nfs/dbraw/zinc/24/84/03/196248403.db2.gz IXUJVXXUIYAKIK-GFCCVEGCSA-N 0 0 309.406 2.431 10 30 DEEERN N#Cc1ccc(S(=O)(=O)Nc2c(N)cc(F)cc2F)cc1 ZINC000132314253 196244085 /nfs/dbraw/zinc/24/40/85/196244085.db2.gz JPJCDRSREZBCQJ-UHFFFAOYSA-N 0 0 309.297 2.219 10 30 DEEERN C=C(Br)CNC(=O)CCCn1c(C)csc1=O ZINC000133270617 196325819 /nfs/dbraw/zinc/32/58/19/196325819.db2.gz ZHUMTDLTQXSPLT-UHFFFAOYSA-N 0 0 319.224 2.023 10 30 DEEERN CC[C@H](CSC)NC(=O)c1ccc(C#CCCO)c(F)c1 ZINC000133971351 196350293 /nfs/dbraw/zinc/35/02/93/196350293.db2.gz SVZAPJBSYNYCNB-CQSZACIVSA-N 0 0 309.406 2.431 10 30 DEEERN O=C(NC1CCSCC1)c1ccc(C#CCCO)c(F)c1 ZINC000136577343 196541768 /nfs/dbraw/zinc/54/17/68/196541768.db2.gz XOFYQMIUKNMBBQ-UHFFFAOYSA-N 0 0 307.390 2.185 10 30 DEEERN N#Cc1ccc(SCC(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 ZINC000151121861 196634210 /nfs/dbraw/zinc/63/42/10/196634210.db2.gz XSYRFPYMOBCIBC-UKRRQHHQSA-N 0 0 304.415 2.318 10 30 DEEERN N#Cc1ncn(CC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000178341713 224857047 /nfs/dbraw/zinc/85/70/47/224857047.db2.gz WNDOXKCMPIHVQM-OAHLLOKOSA-N 0 0 315.764 2.071 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000178556204 224864459 /nfs/dbraw/zinc/86/44/59/224864459.db2.gz FCGBJZVKWBZJHI-WCQYABFASA-N 0 0 300.362 2.032 10 30 DEEERN N#C[C@@H](NC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000189375254 225050481 /nfs/dbraw/zinc/05/04/81/225050481.db2.gz VQQSSDRGCNFRBC-CHWSQXEVSA-N 0 0 312.291 2.027 10 30 DEEERN N#C[C@H](NC(=O)CCOCC(F)(F)C(F)(F)F)C1CC1 ZINC000191525093 225110917 /nfs/dbraw/zinc/11/09/17/225110917.db2.gz PHADNFVWGPJAPC-QMMMGPOBSA-N 0 0 300.227 2.009 10 30 DEEERN Cn1cc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c(C2CC2)n1 ZINC000329622107 225905307 /nfs/dbraw/zinc/90/53/07/225905307.db2.gz NGCSNNUYVVOTJC-GUYCJALGSA-N 0 0 318.421 2.470 10 30 DEEERN C[C@@H]1CC(CNC(=O)N2CCC[C@H](n3cncn3)C2)C[C@@H](C)O1 ZINC000329810913 225931958 /nfs/dbraw/zinc/93/19/58/225931958.db2.gz RANYZYUJVJUZGE-NFAWXSAZSA-N 0 0 321.425 2.033 10 30 DEEERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)N[C@@H]2CC[C@@H](F)C2)cn1 ZINC000329374251 225873193 /nfs/dbraw/zinc/87/31/93/225873193.db2.gz KFQKAMLYQWLZPI-YIYPIFLZSA-N 0 0 310.373 2.127 10 30 DEEERN O=C(NCC1(c2ccncc2)CCCC1)C1(O)CCOCC1 ZINC000330047146 225961400 /nfs/dbraw/zinc/96/14/00/225961400.db2.gz HMWSZNJCFZWDAV-UHFFFAOYSA-N 0 0 304.390 2.391 10 30 DEEERN N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000333262593 226103919 /nfs/dbraw/zinc/10/39/19/226103919.db2.gz UUCFYCKYBILLDV-BTFPBAQTSA-N 0 0 303.406 2.326 10 30 DEEERN N#C[C@@H]1CN(C(=O)CCc2ccc(F)cc2F)CCN1C1CC1 ZINC000363507513 226917208 /nfs/dbraw/zinc/91/72/08/226917208.db2.gz XLFUCHJDVKIQQQ-OAHLLOKOSA-N 0 0 319.355 2.096 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cc(F)cc3cccnc32)CCN1C1CC1 ZINC000371335044 227067367 /nfs/dbraw/zinc/06/73/67/227067367.db2.gz IFXJUKLLOSVWTM-HNNXBMFYSA-N 0 0 324.359 2.186 10 30 DEEERN N#Cc1ccc(OCC(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cc1 ZINC000527209930 421365732 /nfs/dbraw/zinc/36/57/32/421365732.db2.gz UKHLHFSXMXFGEH-CQSZACIVSA-N 0 0 312.329 2.150 10 30 DEEERN N#Cc1ccc(CNC(=O)Nc2ccn(CC(F)F)n2)c(F)c1 ZINC000610507871 422468612 /nfs/dbraw/zinc/46/86/12/422468612.db2.gz JRCBOYHSONNBEV-UHFFFAOYSA-N 0 0 323.278 2.481 10 30 DEEERN C=CCNc1nnc(SC[C@@H](O)C[C@@](C)(O)C2CC2)s1 ZINC000634638109 422521162 /nfs/dbraw/zinc/52/11/62/422521162.db2.gz INIMCMARKODBTB-GXFFZTMASA-N 0 0 315.464 2.140 10 30 DEEERN N#Cc1cccc(CC(=O)NC[C@H](CO)CC2CCCC2)c1 ZINC000533212255 269996851 /nfs/dbraw/zinc/99/68/51/269996851.db2.gz RKZABTHPUQNBKB-QGZVFWFLSA-N 0 0 300.402 2.406 10 30 DEEERN N#Cc1cc(C(=O)N2CC[C@H](Oc3cccc(F)c3)C2)ccn1 ZINC000193801703 424871109 /nfs/dbraw/zinc/87/11/09/424871109.db2.gz LYEWVZXSNKYBGS-INIZCTEOSA-N 0 0 311.316 2.386 10 30 DEEERN CC[C@@H](CNc1nc(C)cc(C#N)n1)Oc1ccccc1F ZINC000553153134 424877233 /nfs/dbraw/zinc/87/72/33/424877233.db2.gz CNSCWWYPNVHDRZ-ZDUSSCGKSA-N 0 0 300.337 3.065 10 30 DEEERN C=CC1CCN(C(=O)Nc2nnc(-c3c[nH]nc3C)s2)CC1 ZINC000364627884 424858327 /nfs/dbraw/zinc/85/83/27/424858327.db2.gz HYAUSWTYXIMQEB-UHFFFAOYSA-N 0 0 318.406 2.667 10 30 DEEERN C=CCCCCCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000566434705 424910289 /nfs/dbraw/zinc/91/02/89/424910289.db2.gz FZAYANQTGZDTFM-UHFFFAOYSA-N 0 0 318.425 2.184 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)CCC1 ZINC000376042403 424893400 /nfs/dbraw/zinc/89/34/00/424893400.db2.gz JELUYHBBWWNIPP-CYBMUJFWSA-N 0 0 300.406 2.511 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000342105296 424960083 /nfs/dbraw/zinc/96/00/83/424960083.db2.gz WYMABPOMGDDOAE-GFCCVEGCSA-N 0 0 309.373 2.988 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)Nc1nnc(OC)s1 ZINC000417051476 424961237 /nfs/dbraw/zinc/96/12/37/424961237.db2.gz ZYLYBMAQJKQXLY-GFCCVEGCSA-N 0 0 318.402 2.856 10 30 DEEERN C=CCCCNC(=O)NCCNc1nc2ccccc2s1 ZINC000448173932 425055833 /nfs/dbraw/zinc/05/58/33/425055833.db2.gz OHFBDUCVMHDWAE-UHFFFAOYSA-N 0 0 304.419 2.974 10 30 DEEERN CCCCOCCNC(=O)NCCOc1ccc(C#N)cc1 ZINC000175981456 267528203 /nfs/dbraw/zinc/52/82/03/267528203.db2.gz RXKWARJGUCALGD-UHFFFAOYSA-N 0 0 305.378 2.053 10 30 DEEERN N#Cc1cccc(CN2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)c1F ZINC000408044219 268247382 /nfs/dbraw/zinc/24/73/82/268247382.db2.gz MXTXQYPVKCZUHW-ZACQAIPSSA-N 0 0 318.392 2.449 10 30 DEEERN N#Cc1cccc(CC(=O)NCCn2cnc3ccccc32)c1 ZINC000531386350 268275076 /nfs/dbraw/zinc/27/50/76/268275076.db2.gz JQCOGEZNHDJKTC-UHFFFAOYSA-N 0 0 304.353 2.267 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccc(-n3cccn3)nc2)c1 ZINC000531387991 268277419 /nfs/dbraw/zinc/27/74/19/268277419.db2.gz QAQGVSCVHGRLBQ-UHFFFAOYSA-N 0 0 303.325 2.320 10 30 DEEERN C[C@@H](C(=O)NCC1(Cc2ccccc2)CCC1)n1cnc(C#N)n1 ZINC000524237726 269471824 /nfs/dbraw/zinc/47/18/24/269471824.db2.gz RVORNDSAIZCGSU-AWEZNQCLSA-N 0 0 323.400 2.240 10 30 DEEERN CC(C)(C(=O)N[C@H]1CCc2ccccc2C1=O)N1CCOCC1 ZINC000328696271 277119980 /nfs/dbraw/zinc/11/99/80/277119980.db2.gz UDTCPCISLQDPMW-HNNXBMFYSA-N 0 0 316.401 2.251 10 30 DEEERN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCCC1(C)C ZINC000192879082 277282231 /nfs/dbraw/zinc/28/22/31/277282231.db2.gz ZTJFOUZTWRYQSX-UHFFFAOYSA-N 0 0 316.405 2.454 10 30 DEEERN CC(C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000301150583 277334574 /nfs/dbraw/zinc/33/45/74/277334574.db2.gz OLQRWVXUGFCZJH-CYBMUJFWSA-N 0 0 316.361 2.207 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)[C@@H](C)C1CC1 ZINC000290913644 277787106 /nfs/dbraw/zinc/78/71/06/277787106.db2.gz DSEAELFRKVMSET-JSGCOSHPSA-N 0 0 306.410 2.177 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000355907618 277908989 /nfs/dbraw/zinc/90/89/89/277908989.db2.gz BBIIKZYBEXXAOB-QZTJIDSGSA-N 0 0 301.386 2.362 10 30 DEEERN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)[C@H]2CCCCO2)C1 ZINC000329400550 278162176 /nfs/dbraw/zinc/16/21/76/278162176.db2.gz XUVWPBSLCOBHQS-TZMCWYRMSA-N 0 0 320.393 2.293 10 30 DEEERN O=C(C#Cc1ccccc1)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000130000707 279729222 /nfs/dbraw/zinc/72/92/22/279729222.db2.gz WPNKHGJNAYMYFI-AEFFLSMTSA-N 0 0 322.408 2.040 10 30 DEEERN CC[C@H](CC#N)NC(=O)c1cc(C)n(-c2nc(C)cc(C)n2)n1 ZINC000358058984 280814822 /nfs/dbraw/zinc/81/48/22/280814822.db2.gz CWQLQMNAXMHLCO-CYBMUJFWSA-N 0 0 312.377 2.010 10 30 DEEERN CC1(C)CN(c2ccc(Cl)c(C#N)n2)C[C@@]2(CCOC2)O1 ZINC000366528627 281266753 /nfs/dbraw/zinc/26/67/53/281266753.db2.gz FOEQJECWSBPUTH-OAHLLOKOSA-N 0 0 307.781 2.381 10 30 DEEERN Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCCOc1ccc(C#N)cc1 ZINC000132995244 282004997 /nfs/dbraw/zinc/00/49/97/282004997.db2.gz ASMANXLAHOWUAR-LLVKDONJSA-N 0 0 312.373 2.197 10 30 DEEERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)N[C@H]1CCC(=O)NC1(C)C ZINC000328758965 294311659 /nfs/dbraw/zinc/31/16/59/294311659.db2.gz WIEQPLTXBMAVMB-AAEUAGOBSA-N 0 0 319.409 2.199 10 30 DEEERN N#C[C@H]1CN(C(=O)c2c(Cl)cc(F)cc2Cl)CCO1 ZINC000277192830 294846193 /nfs/dbraw/zinc/84/61/93/294846193.db2.gz GAGWVAYZWZMJSX-QMMMGPOBSA-N 0 0 303.120 2.497 10 30 DEEERN N#Cc1cc(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)c[nH]1 ZINC000181332695 294872622 /nfs/dbraw/zinc/87/26/22/294872622.db2.gz ZROHWEOVBTVNJP-CQSZACIVSA-N 0 0 324.388 2.182 10 30 DEEERN C[C@H]1c2ccccc2O[C@H]1C(=O)NC1(C#N)CCSCC1 ZINC000162538219 300713648 /nfs/dbraw/zinc/71/36/48/300713648.db2.gz BKBNEWRJKDBBMN-SMDDNHRTSA-N 0 0 302.399 2.457 10 30 DEEERN O=C(N[C@H]1CCC(=O)NC12CCC2)N1CC2(C1)CCCOC2 ZINC000329407677 303513816 /nfs/dbraw/zinc/51/38/16/303513816.db2.gz ZQPYQRJXDXFIFI-LBPRGKRZSA-N 0 0 307.394 2.054 10 30 DEEERN CCc1nc(C2(NC(=O)c3ccc(C#N)cn3)CCCC2)no1 ZINC000175145318 325743879 /nfs/dbraw/zinc/74/38/79/325743879.db2.gz LYKSGLPIHPXMJQ-UHFFFAOYSA-N 0 0 311.345 2.098 10 30 DEEERN N#Cc1ccnc(NC(=O)c2cn(-c3ccc(Cl)cc3)nn2)c1 ZINC000577136083 326345103 /nfs/dbraw/zinc/34/51/03/326345103.db2.gz URNXFOZAQVPCRF-UHFFFAOYSA-N 0 0 324.731 2.440 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000570674209 332797180 /nfs/dbraw/zinc/79/71/80/332797180.db2.gz HTBXQPABGOZAGW-FPCVCCKLSA-N 0 0 308.422 2.178 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000584033782 331592827 /nfs/dbraw/zinc/59/28/27/331592827.db2.gz VMAKWQDCXABAHI-UHFFFAOYSA-N 0 0 315.377 2.033 10 30 DEEERN C=CCn1c([C@@H]2CCCCO2)nnc1N(C)C1CCOCC1 ZINC000556444497 331704883 /nfs/dbraw/zinc/70/48/83/331704883.db2.gz KASLYTDGKOEGOU-AWEZNQCLSA-N 0 0 306.410 2.321 10 30 DEEERN C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000558970709 331962576 /nfs/dbraw/zinc/96/25/76/331962576.db2.gz SQFVYAKDWFILND-CQSZACIVSA-N 0 0 323.414 2.131 10 30 DEEERN COc1ccc(C)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000365241326 333399744 /nfs/dbraw/zinc/39/97/44/333399744.db2.gz QIIBSGUIZSPYAG-CQSZACIVSA-N 0 0 314.389 2.208 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N(CC)CCc1nccs1 ZINC000571616096 333821244 /nfs/dbraw/zinc/82/12/44/333821244.db2.gz VEOVGZIQJLDJQB-OLZOCXBDSA-N 0 0 309.435 2.451 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)OC ZINC000344083652 335216524 /nfs/dbraw/zinc/21/65/24/335216524.db2.gz JXYNCBFULGEUHJ-IUODEOHRSA-N 0 0 323.364 2.465 10 30 DEEERN N#CCc1ccnc(NC(=O)Cn2cc(-c3ccccc3)nn2)c1 ZINC000532179799 335911177 /nfs/dbraw/zinc/91/11/77/335911177.db2.gz HHGMPVNNWYPXTQ-UHFFFAOYSA-N 0 0 318.340 2.045 10 30 DEEERN C=CCN(CCOC)C(=O)Nc1ccc(OC)c(OC)c1OC ZINC000361757605 336771640 /nfs/dbraw/zinc/77/16/40/336771640.db2.gz YRNHAAVEZIPEFF-UHFFFAOYSA-N 0 0 324.377 2.379 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccnc(N2CC[C@H](C)C2)c1 ZINC000580398538 337085874 /nfs/dbraw/zinc/08/58/74/337085874.db2.gz SHNUHKNBLUTDNR-CFVMTHIKSA-N 0 0 301.390 2.001 10 30 DEEERN C=C(C)Cn1c(COCC)nnc1N1CCC[C@@]2(CCOC2)C1 ZINC000582587865 337110343 /nfs/dbraw/zinc/11/03/43/337110343.db2.gz ASJJMWXWVZASML-QGZVFWFLSA-N 0 0 320.437 2.398 10 30 DEEERN C=CCCCCCNC(=O)Nc1cnc(OC)c(C(N)=O)c1 ZINC000583880494 337375778 /nfs/dbraw/zinc/37/57/78/337375778.db2.gz ZNUUTGUKVFFONV-UHFFFAOYSA-N 0 0 306.366 2.057 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1ccccc1CS(C)(=O)=O ZINC000185780720 340505126 /nfs/dbraw/zinc/50/51/26/340505126.db2.gz NAGLFMVRMZRKJG-CYBMUJFWSA-N 0 0 309.431 2.450 10 30 DEEERN C=CC1CCN(C(=O)CCc2cccc(C(=O)NC)c2)CC1 ZINC000130609037 341032689 /nfs/dbraw/zinc/03/26/89/341032689.db2.gz QFRFPTRTOJOQIE-UHFFFAOYSA-N 0 0 300.402 2.403 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCn1c(CCC)nc2ccccc21 ZINC000546697740 341179283 /nfs/dbraw/zinc/17/92/83/341179283.db2.gz AHHLQAGMKQXWNM-AWEZNQCLSA-N 0 0 315.417 2.432 10 30 DEEERN C=CCCCN(C)C(=O)CNC(=O)NCc1ccc(F)cc1 ZINC000076650719 341211846 /nfs/dbraw/zinc/21/18/46/341211846.db2.gz SWMNYQNFGRKFFQ-UHFFFAOYSA-N 0 0 307.369 2.050 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000548838575 341277522 /nfs/dbraw/zinc/27/75/22/341277522.db2.gz BLSJPVRSFIGYGC-YOEHRIQHSA-N 0 0 318.421 2.116 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CC[C@H](CC(C)C)C1 ZINC000548853488 341278215 /nfs/dbraw/zinc/27/82/15/341278215.db2.gz AJHNPJPOUDKACE-HUUCEWRRSA-N 0 0 320.437 2.424 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@]2(CNC(=O)C2)C1 ZINC000549603456 341298515 /nfs/dbraw/zinc/29/85/15/341298515.db2.gz FDGAMKUUZCODRC-KRWDZBQOSA-N 0 0 317.437 2.084 10 30 DEEERN C=CCC1(C(=O)NCCc2cn3c(n2)CCCC3)CCOCC1 ZINC000566909921 341571382 /nfs/dbraw/zinc/57/13/82/341571382.db2.gz RTYULVWFBYKOAH-UHFFFAOYSA-N 0 0 317.433 2.251 10 30 DEEERN COc1ccc(CCCC(=O)N[C@@H](C#N)C2CC2)c(OC)c1 ZINC000153777382 341578823 /nfs/dbraw/zinc/57/88/23/341578823.db2.gz SEXWGXZHKIPXEL-HNNXBMFYSA-N 0 0 302.374 2.445 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N(C)c1ccccc1 ZINC000573894797 341742475 /nfs/dbraw/zinc/74/24/75/341742475.db2.gz ROADQNDXDNYLEX-UHFFFAOYSA-N 0 0 309.377 2.336 10 30 DEEERN Cc1c(S(=O)(=O)N[C@H]2CCC[C@H]2C#N)c2ccccc2n1C ZINC000408016582 533936262 /nfs/dbraw/zinc/93/62/62/533936262.db2.gz INPNRJFKRXRRQB-JSGCOSHPSA-N 0 0 317.414 2.457 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CCc2ccccc21 ZINC000575005267 517339539 /nfs/dbraw/zinc/33/95/39/517339539.db2.gz PTDXCHHNSUFATG-UHFFFAOYSA-N 0 0 321.388 2.262 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1CCN(c2ccc(OC)cn2)CC1 ZINC000454904887 534367543 /nfs/dbraw/zinc/36/75/43/534367543.db2.gz GHUCEKHNTIOBKE-AWEZNQCLSA-N 0 0 318.421 2.277 10 30 DEEERN C=C(CC)CNC(=O)C(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000454026083 534405548 /nfs/dbraw/zinc/40/55/48/534405548.db2.gz INADCMFASVAAMV-UHFFFAOYSA-N 0 0 314.345 2.066 10 30 DEEERN C=CCn1c(N2CC[C@@H](COCC)C2)nnc1[C@]1(C)CCCO1 ZINC000453442325 534442618 /nfs/dbraw/zinc/44/26/18/534442618.db2.gz PFTYFOCXNCEFRW-PBHICJAKSA-N 0 0 320.437 2.353 10 30 DEEERN C=CC(C)(C)CNC(=O)N1CCCC[C@H]1CCS(C)(=O)=O ZINC000458990642 534505921 /nfs/dbraw/zinc/50/59/21/534505921.db2.gz RTNKQNIDBRLNPV-ZDUSSCGKSA-N 0 0 316.467 2.197 10 30 DEEERN C=CC(C)(C)CNC(=O)NCCCNC(=O)c1ccccc1 ZINC000455369028 534510500 /nfs/dbraw/zinc/51/05/00/534510500.db2.gz OZTOJLKNEBFVJB-UHFFFAOYSA-N 0 0 303.406 2.318 10 30 DEEERN N#CC1(c2ccc(C(=O)N3C[C@@H]4CC[C@@H](O)C[C@H]4C3)cc2)CC1 ZINC000333274938 534574868 /nfs/dbraw/zinc/57/48/68/534574868.db2.gz LEVRNSBZBPZHJR-YQQAZPJKSA-N 0 0 310.397 2.475 10 30 DEEERN C=CCCCCNC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000454818151 534683427 /nfs/dbraw/zinc/68/34/27/534683427.db2.gz SGQUHLYOQNABBR-CYBMUJFWSA-N 0 0 322.430 2.213 10 30 DEEERN C=CCCCN(C)C(=O)[C@H]1CC(=O)N(CC)[C@@H]1c1cccnc1 ZINC000449903883 534704739 /nfs/dbraw/zinc/70/47/39/534704739.db2.gz UZWKGUNWYPJJKB-DOTOQJQBSA-N 0 0 315.417 2.416 10 30 DEEERN CC#CCN(C)C(=O)N[C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000458529196 534706169 /nfs/dbraw/zinc/70/61/69/534706169.db2.gz HBXDOEALQNVTIF-NSHDSACASA-N 0 0 323.418 2.354 10 30 DEEERN Cc1cccc2c1OCC[C@H]2NS(=O)(=O)CCCCC#N ZINC000188412963 534782513 /nfs/dbraw/zinc/78/25/13/534782513.db2.gz FWYXNGFKNAPBRF-CQSZACIVSA-N 0 0 308.403 2.432 10 30 DEEERN C=CCN(CCOC)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000489566990 534834867 /nfs/dbraw/zinc/83/48/67/534834867.db2.gz RXFRIBHVUZTUKM-UHFFFAOYSA-N 0 0 315.373 2.205 10 30 DEEERN CC#CCCCC(=O)N1CCC(NC(=O)c2ccoc2)CC1 ZINC000364084511 526291249 /nfs/dbraw/zinc/29/12/49/526291249.db2.gz VBIUMDVNKWDIQI-UHFFFAOYSA-N 0 0 302.374 2.194 10 30 DEEERN CC#CCN(C)C(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000341060594 526345755 /nfs/dbraw/zinc/34/57/55/526345755.db2.gz ZNENOWSGPDBFBF-UHFFFAOYSA-N 0 0 307.340 2.495 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccccn1 ZINC000172510258 526352978 /nfs/dbraw/zinc/35/29/78/526352978.db2.gz JNCUBTCYVGEYJN-UHFFFAOYSA-N 0 0 309.369 2.026 10 30 DEEERN C=CCN(Cc1nnnn1C(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000195116662 526383325 /nfs/dbraw/zinc/38/33/25/526383325.db2.gz PPEHWXDEBAMCNE-UHFFFAOYSA-N 0 0 316.365 2.350 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](NC(=O)CCC)C1 ZINC000245199826 526536706 /nfs/dbraw/zinc/53/67/06/526536706.db2.gz FYJWMRZUONCKLN-HZPDHXFCSA-N 0 0 323.481 2.180 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000346740140 526558243 /nfs/dbraw/zinc/55/82/43/526558243.db2.gz GLRVBCSZQNSGPG-CVEARBPZSA-N 0 0 315.417 2.314 10 30 DEEERN C=CCNC(=O)CNC(=O)c1c(Cl)cc(F)cc1Cl ZINC000432157727 526565098 /nfs/dbraw/zinc/56/50/98/526565098.db2.gz LQYBRDJLSQECDU-UHFFFAOYSA-N 0 0 305.136 2.165 10 30 DEEERN C=C(C)CNC(=O)C(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000427029978 526609245 /nfs/dbraw/zinc/60/92/45/526609245.db2.gz XHDSYAARSOTLKB-UHFFFAOYSA-N 0 0 320.389 2.458 10 30 DEEERN C=CCNC(=O)[C@@H](C)SCc1cn(-c2ccccc2)nn1 ZINC000338952682 526629336 /nfs/dbraw/zinc/62/93/36/526629336.db2.gz HXIXNOKCNRKNLE-GFCCVEGCSA-N 0 0 302.403 2.191 10 30 DEEERN C=C(C)COCCNS(=O)(=O)c1cc(C)cc(C)c1OC ZINC000337887159 526656551 /nfs/dbraw/zinc/65/65/51/526656551.db2.gz FBLSFHPCVCKJNV-UHFFFAOYSA-N 0 0 313.419 2.183 10 30 DEEERN C#CCC(C)(C)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000366952171 526667182 /nfs/dbraw/zinc/66/71/82/526667182.db2.gz LQRNXRUPFKDGIK-ZBFHGGJFSA-N 0 0 312.413 2.342 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@](C)(Cc1ccccc1)[C@H](C)O ZINC000287724667 526673987 /nfs/dbraw/zinc/67/39/87/526673987.db2.gz BKROACHQORHWBD-OXJNMPFZSA-N 0 0 311.425 2.395 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000376960894 526674148 /nfs/dbraw/zinc/67/41/48/526674148.db2.gz MWBHCFUYLCMNIX-QGZVFWFLSA-N 0 0 308.381 2.263 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](c1cnn(C)c1)c1ccccc1 ZINC000376929274 526675037 /nfs/dbraw/zinc/67/50/37/526675037.db2.gz AKZYKARXCBQZFM-GOSISDBHSA-N 0 0 305.381 2.289 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000368769607 526699906 /nfs/dbraw/zinc/69/99/06/526699906.db2.gz IEJSAZMXWMTYJF-CYBMUJFWSA-N 0 0 314.389 2.494 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000341299779 526699951 /nfs/dbraw/zinc/69/99/51/526699951.db2.gz AHYIGMPEFDLEKQ-CYBMUJFWSA-N 0 0 324.446 2.155 10 30 DEEERN C#CCCCNC(=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000374757366 526711181 /nfs/dbraw/zinc/71/11/81/526711181.db2.gz GXLVKWDFZCSYNT-SFHVURJKSA-N 0 0 300.402 2.136 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CCC(c2ccnn2C)CC1 ZINC000283119443 526723780 /nfs/dbraw/zinc/72/37/80/526723780.db2.gz BPNZFROJAJBUBH-UHFFFAOYSA-N 0 0 300.410 2.280 10 30 DEEERN C=CCOCCCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000246173616 526737354 /nfs/dbraw/zinc/73/73/54/526737354.db2.gz JNMSTSGMWQNNEM-ZNMIVQPWSA-N 0 0 309.406 2.302 10 30 DEEERN C#CCCOc1ccc(CN2CCN(c3cc(C)[nH]n3)CC2)cc1 ZINC000189019155 526742132 /nfs/dbraw/zinc/74/21/32/526742132.db2.gz JQKRBKUHPGZJJV-UHFFFAOYSA-N 0 0 324.428 2.442 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(CO)c(F)c1 ZINC000281653816 526775803 /nfs/dbraw/zinc/77/58/03/526775803.db2.gz XCUPQJONGGPXPG-CJNGLKHVSA-N 0 0 322.380 2.098 10 30 DEEERN C=CCOCCNC(=O)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000370360784 526777655 /nfs/dbraw/zinc/77/76/55/526777655.db2.gz VWNSOJLYYJALAF-GOSISDBHSA-N 0 0 316.401 2.073 10 30 DEEERN C=CCOCCNC(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000374830592 526778098 /nfs/dbraw/zinc/77/80/98/526778098.db2.gz ZFOFOWFYXLRQHF-XJKSGUPXSA-N 0 0 322.380 2.500 10 30 DEEERN C=CCOCCNC(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000371569012 526778709 /nfs/dbraw/zinc/77/87/09/526778709.db2.gz BBXFUJMNUYREAO-LBPRGKRZSA-N 0 0 316.361 2.299 10 30 DEEERN C=CCOCCNC(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000378589530 526779361 /nfs/dbraw/zinc/77/93/61/526779361.db2.gz FEGMINGACZCFFM-CQSZACIVSA-N 0 0 314.389 2.435 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC(C)(C)c1noc(CC)n1 ZINC000442594103 526796463 /nfs/dbraw/zinc/79/64/63/526796463.db2.gz LDYXYHHPBGZTMP-AAEUAGOBSA-N 0 0 322.409 2.148 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CO)c1sccc1C ZINC000437939091 526798303 /nfs/dbraw/zinc/79/83/03/526798303.db2.gz ZGDXLFIKAHRDII-MJBXVCDLSA-N 0 0 324.446 2.370 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000280860069 526832530 /nfs/dbraw/zinc/83/25/30/526832530.db2.gz BKPTUXUSNOZSGE-UKRRQHHQSA-N 0 0 319.405 2.184 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccnn1CC(F)(F)F ZINC000295173808 526848072 /nfs/dbraw/zinc/84/80/72/526848072.db2.gz QLOLMJRPIHKBFC-CMPLNLGQSA-N 0 0 317.311 2.156 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@@]2(C(=O)OC)CCSC2)cc1 ZINC000340356004 526850814 /nfs/dbraw/zinc/85/08/14/526850814.db2.gz SFUYPBHJWQKQPO-INIZCTEOSA-N 0 0 321.398 2.030 10 30 DEEERN C=CCOc1ccccc1CN1CC[C@@H](C)S(=O)(=O)CC1 ZINC000432792731 526934119 /nfs/dbraw/zinc/93/41/19/526934119.db2.gz LYVWWSCKJPBKAO-CQSZACIVSA-N 0 0 309.431 2.260 10 30 DEEERN C=CCOc1ccccc1CNC(=O)C[C@@H]1CCOC[C@@H]1OC ZINC000294645645 526937126 /nfs/dbraw/zinc/93/71/26/526937126.db2.gz PGRJGARXGSNCQT-YOEHRIQHSA-N 0 0 319.401 2.309 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N1CCC[C@H](O)[C@@H]1C ZINC000296779293 526939105 /nfs/dbraw/zinc/93/91/05/526939105.db2.gz XIIYTEGBDPPJLI-ZFWWWQNUSA-N 0 0 304.390 2.306 10 30 DEEERN C=CCSc1ccccc1C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000362402350 527008573 /nfs/dbraw/zinc/00/85/73/527008573.db2.gz LQAMRUWSXDVSDF-AWEZNQCLSA-N 0 0 318.442 2.121 10 30 DEEERN C=CCC(CC=C)C(=O)N1C[C@H](OC)C[C@H]1CC(=O)OCC ZINC000372234482 527026694 /nfs/dbraw/zinc/02/66/94/527026694.db2.gz YLKYEUXFMJXOOY-LSDHHAIUSA-N 0 0 309.406 2.324 10 30 DEEERN C=CC[C@@H](C)NC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000342511170 527027010 /nfs/dbraw/zinc/02/70/10/527027010.db2.gz OOWNEDITURUCNI-UKRRQHHQSA-N 0 0 301.390 2.446 10 30 DEEERN C=CCC1(C(=O)N2CCCN(c3cccnn3)CC2)CCC1 ZINC000191307102 527041608 /nfs/dbraw/zinc/04/16/08/527041608.db2.gz USELTRCQGFROBI-UHFFFAOYSA-N 0 0 300.406 2.262 10 30 DEEERN C=CCC1(C(=O)NCc2ccc(C(=O)OC)o2)CCOCC1 ZINC000424669454 527055518 /nfs/dbraw/zinc/05/55/18/527055518.db2.gz SLOQGAGPDOCVIP-UHFFFAOYSA-N 0 0 307.346 2.055 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2CCCn3nc(COC)nc32)CCC1 ZINC000191924964 527058261 /nfs/dbraw/zinc/05/82/61/527058261.db2.gz YQKOKPJTTKFKII-GFCCVEGCSA-N 0 0 304.394 2.122 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccccc1Cl ZINC000185919562 527097845 /nfs/dbraw/zinc/09/78/45/527097845.db2.gz WPELZDSPQVRYJH-JTQLQIEISA-N 0 0 305.765 2.397 10 30 DEEERN C=CC[C@@H]1N(C(=O)C(=O)N(C)C[C@@H]2CCCO2)CCCC1(C)C ZINC000411002587 527113691 /nfs/dbraw/zinc/11/36/91/527113691.db2.gz KHRWQFQPPVZWIT-GJZGRUSLSA-N 0 0 322.449 2.217 10 30 DEEERN C=CCCCC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000359080397 527113948 /nfs/dbraw/zinc/11/39/48/527113948.db2.gz QFFPXMDAJCFQPV-UHFFFAOYSA-N 0 0 304.394 2.237 10 30 DEEERN C#CCOc1cccc(NC(=O)C[C@H]2CCOC[C@H]2OC)c1 ZINC000294459069 527121234 /nfs/dbraw/zinc/12/12/34/527121234.db2.gz CDVYYSJGUCSMHL-CZUORRHYSA-N 0 0 303.358 2.079 10 30 DEEERN C#CCOc1ccccc1NC(=O)C[C@@H]1CCOC[C@H]1OC ZINC000295676733 527132198 /nfs/dbraw/zinc/13/21/98/527132198.db2.gz GPRPZNYDVVHZFD-XJKSGUPXSA-N 0 0 303.358 2.079 10 30 DEEERN C=CCCCCNC(=O)C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000358986105 527142539 /nfs/dbraw/zinc/14/25/39/527142539.db2.gz QBGBHZJMJZGBAV-LBPRGKRZSA-N 0 0 322.380 2.484 10 30 DEEERN C=CCCCCNC(=O)C(=O)N[C@@H](CC)c1c(C)nn(C)c1C ZINC000360102480 527142707 /nfs/dbraw/zinc/14/27/07/527142707.db2.gz LZCMYCMUCPOMDN-AWEZNQCLSA-N 0 0 320.437 2.077 10 30 DEEERN C=CCCCCNC(=O)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000339696640 527143751 /nfs/dbraw/zinc/14/37/51/527143751.db2.gz CERMJXXQSLFUAQ-INIZCTEOSA-N 0 0 300.402 2.133 10 30 DEEERN C#CC[C@@H](NC(=O)N[C@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000368192294 527163592 /nfs/dbraw/zinc/16/35/92/527163592.db2.gz XGKYSRHKZSTKIX-LSDHHAIUSA-N 0 0 308.385 2.331 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCc1nccn1CC ZINC000296597353 527172900 /nfs/dbraw/zinc/17/29/00/527172900.db2.gz KUALTCXEQADSCB-MRXNPFEDSA-N 0 0 310.401 2.337 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(CCOC)[C@H]1CC[C@H](C)C1 ZINC000410932762 527174000 /nfs/dbraw/zinc/17/40/00/527174000.db2.gz YZFGUNNHXHWHMF-GJZGRUSLSA-N 0 0 310.438 2.075 10 30 DEEERN C#CC[C@H](NC(=O)N1CC(F)(F)C[C@@H]1CO)c1ccccc1 ZINC000364644224 527174945 /nfs/dbraw/zinc/17/49/45/527174945.db2.gz ZCMLAHJCSAXJSI-KGLIPLIRSA-N 0 0 308.328 2.163 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(-c2nnco2)c1 ZINC000130583877 527180581 /nfs/dbraw/zinc/18/05/81/527180581.db2.gz MRHNPCJOGNSMSV-UHFFFAOYSA-N 0 0 314.345 2.100 10 30 DEEERN C=CCCCN(C)C(=O)NCCNC(=O)c1ccc(C)c(F)c1 ZINC000076945805 527183865 /nfs/dbraw/zinc/18/38/65/527183865.db2.gz SBOKGYOGOHEMNJ-UHFFFAOYSA-N 0 0 321.396 2.472 10 30 DEEERN C=CC[C@H](CO)NC(=O)C1(CCOCc2ccccc2)CC1 ZINC000337044876 527192718 /nfs/dbraw/zinc/19/27/18/527192718.db2.gz FAYWGVMPWHFDLQ-MRXNPFEDSA-N 0 0 303.402 2.427 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(-n2cccn2)ccc1C ZINC000191309115 527201083 /nfs/dbraw/zinc/20/10/83/527201083.db2.gz JPHFAWZLEGBTPW-CYBMUJFWSA-N 0 0 300.362 2.239 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccnn1-c1cccc(F)c1 ZINC000448374767 527210274 /nfs/dbraw/zinc/21/02/74/527210274.db2.gz LRHSIHKPIQQTDE-UHFFFAOYSA-N 0 0 316.336 2.032 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)NCC[C@@](C)(O)COC ZINC000413583919 527216769 /nfs/dbraw/zinc/21/67/69/527216769.db2.gz PUPRDEBVHLWTJM-SJLPKXTDSA-N 0 0 320.433 2.261 10 30 DEEERN C=CCCCNC(=O)NC[C@@](C)(C(=O)OC)c1ccccc1 ZINC000448005940 527220262 /nfs/dbraw/zinc/22/02/62/527220262.db2.gz XMHXSNWPMOFKDF-QGZVFWFLSA-N 0 0 304.390 2.383 10 30 DEEERN C=CCCCNC(=O)NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000447957719 527221321 /nfs/dbraw/zinc/22/13/21/527221321.db2.gz AUKGHENGNCBOMI-UHFFFAOYSA-N 0 0 315.377 2.041 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)c1nc(C)c(C)[nH]c1=O ZINC000412847354 527221358 /nfs/dbraw/zinc/22/13/58/527221358.db2.gz YAEKWOGQWJPGTK-OAHLLOKOSA-N 0 0 311.385 2.304 10 30 DEEERN C=CCCCNC(=O)NCc1ccc(OC)c(C(=O)OC)c1 ZINC000448032795 527221625 /nfs/dbraw/zinc/22/16/25/527221625.db2.gz WZHMVKNDUJNYRX-UHFFFAOYSA-N 0 0 306.362 2.247 10 30 DEEERN C=CCCCS(=O)(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000292346394 527238904 /nfs/dbraw/zinc/23/89/04/527238904.db2.gz PKMCVNDPRXQCNK-UHFFFAOYSA-N 0 0 309.387 2.156 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@@H](C)c2cn[nH]c2)c(OC)c1 ZINC000339813856 527253005 /nfs/dbraw/zinc/25/30/05/527253005.db2.gz QAARGUVYGREUKZ-LBPRGKRZSA-N 0 0 315.373 2.403 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 ZINC000337867896 527306089 /nfs/dbraw/zinc/30/60/89/527306089.db2.gz RSZWKCRQWIBAKO-CQSZACIVSA-N 0 0 317.437 2.227 10 30 DEEERN C=CCCN(C)C(=O)NCc1ncn(Cc2cccc(F)c2)n1 ZINC000342140468 527311353 /nfs/dbraw/zinc/31/13/53/527311353.db2.gz HULYOWHWJPZDKO-UHFFFAOYSA-N 0 0 317.368 2.183 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N(C)CCn1cccn1 ZINC000282209323 527315732 /nfs/dbraw/zinc/31/57/32/527315732.db2.gz HPMUPTLKBACQPG-UHFFFAOYSA-N 0 0 302.426 2.386 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N(C)Cc1cnccn1 ZINC000337864339 527319941 /nfs/dbraw/zinc/31/99/41/527319941.db2.gz PBHIWDLVGDHWRL-UHFFFAOYSA-N 0 0 324.388 2.269 10 30 DEEERN CC(=O)c1ccc(S(=O)(=O)N(C[C@H](C)C#N)C2CC2)cc1 ZINC000338313575 527331941 /nfs/dbraw/zinc/33/19/41/527331941.db2.gz HJCVKAFMNKLOEL-LLVKDONJSA-N 0 0 306.387 2.202 10 30 DEEERN C#C[C@H](C)NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000248609849 527341830 /nfs/dbraw/zinc/34/18/30/527341830.db2.gz WVSGJBXQVYXBLT-LKTVYLICSA-N 0 0 307.344 2.031 10 30 DEEERN C=CCn1cc(CNC(=O)[C@]2(C)CCCc3ccccc32)nn1 ZINC000424907595 527370367 /nfs/dbraw/zinc/37/03/67/527370367.db2.gz KJXJGCAJQNCMJU-GOSISDBHSA-N 0 0 310.401 2.375 10 30 DEEERN C=CCn1nnnc1SCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351826550 527392057 /nfs/dbraw/zinc/39/20/57/527392057.db2.gz HLEYDSFBZZRQKE-UHFFFAOYSA-N 0 0 307.335 2.068 10 30 DEEERN C#Cc1cccc(N(CC)C(=O)C[C@@H]2CCOC[C@@H]2OC)c1 ZINC000294484911 527441484 /nfs/dbraw/zinc/44/14/84/527441484.db2.gz GABGAMMROUGHPV-RDJZCZTQSA-N 0 0 301.386 2.462 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000333231180 527471516 /nfs/dbraw/zinc/47/15/16/527471516.db2.gz YDBJKGGFIUAFSN-IVSAIRAKSA-N 0 0 308.422 2.057 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000424110214 527495131 /nfs/dbraw/zinc/49/51/31/527495131.db2.gz XPRNCSTXFBMKAR-ZANVPECISA-N 0 0 309.297 2.447 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCOC[C@@H]1C ZINC000337531092 527502854 /nfs/dbraw/zinc/50/28/54/527502854.db2.gz DBSFXFJDUWRSQX-DZGCQCFKSA-N 0 0 316.401 2.285 10 30 DEEERN C=CCCc1ccccc1NC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000337607598 527506768 /nfs/dbraw/zinc/50/67/68/527506768.db2.gz QWSUQLNLBXFIJW-HNNXBMFYSA-N 0 0 317.433 2.336 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000189426878 527529032 /nfs/dbraw/zinc/52/90/32/527529032.db2.gz TWAIWRRCTRNNSU-WBVHZDCISA-N 0 0 304.390 2.290 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CCCN(c2ccccc2F)CC1 ZINC000343412869 527540659 /nfs/dbraw/zinc/54/06/59/527540659.db2.gz PIQONGFLMNZYEO-QGZVFWFLSA-N 0 0 306.381 2.192 10 30 DEEERN CC1(C)[C@H](NC(=O)c2ccccc2OCC#N)[C@H]2CCO[C@H]21 ZINC000247351233 527865499 /nfs/dbraw/zinc/86/54/99/527865499.db2.gz ZPBDFHNXNOHAQE-BPLDGKMQSA-N 0 0 300.358 2.132 10 30 DEEERN CC1CC(NC(=O)N[C@H]2CCN(C(=O)Cc3ccccc3)C2)C1 ZINC000328881606 528156622 /nfs/dbraw/zinc/15/66/22/528156622.db2.gz MIYCNIYDNSMGHW-SIWZUTFBSA-N 0 0 315.417 2.132 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000189154671 528613376 /nfs/dbraw/zinc/61/33/76/528613376.db2.gz IYMIBRWBZZXPJN-QWHCGFSZSA-N 0 0 317.389 2.341 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)c3csnc3C)C2)n1 ZINC000328612757 528747578 /nfs/dbraw/zinc/74/75/78/528747578.db2.gz PSKSLRXQIOUJPP-LLVKDONJSA-N 0 0 319.390 2.343 10 30 DEEERN CCSc1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccn1 ZINC000370970061 529235306 /nfs/dbraw/zinc/23/53/06/529235306.db2.gz VKAGLWHEXWQSAC-CQSZACIVSA-N 0 0 316.430 2.006 10 30 DEEERN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180036689 529370358 /nfs/dbraw/zinc/37/03/58/529370358.db2.gz KVQWGJJJTSGRKE-OLZOCXBDSA-N 0 0 313.401 2.275 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(F)ccc1C#N ZINC000248868304 536553036 /nfs/dbraw/zinc/55/30/36/536553036.db2.gz UIFJIDNBZXUCPI-MAZHCROVSA-N 0 0 302.349 2.471 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cccc(F)c3C#N)[C@H]2C1 ZINC000249291126 536711324 /nfs/dbraw/zinc/71/13/24/536711324.db2.gz VSWMDGSCAJKNSZ-XFBWCDHKSA-N 0 0 318.348 2.106 10 30 DEEERN COc1ccc(OC)c(C=NOCc2nsc(N(C)C)n2)c1 ZINC000255631337 625571472 /nfs/dbraw/zinc/57/14/72/625571472.db2.gz QIIYYDZZHMNLBR-UHFFFAOYSA-N 0 0 322.390 2.172 10 30 DEEERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2CC[C@H](C)C2)C1 ZINC000330172993 625572670 /nfs/dbraw/zinc/57/26/70/625572670.db2.gz GZMRDVAZTHOZQN-ZBAXXZLZSA-N 0 0 308.382 2.242 10 30 DEEERN CNC(=O)C(C#N)=C(O)C=Cc1ccc2ccc(Cl)cc2n1 ZINC000254967242 622811641 /nfs/dbraw/zinc/81/16/41/622811641.db2.gz DFLUKQJRHSNKOT-FWWRYZNZSA-N 0 0 313.744 2.356 10 30 DEEERN C#CCN(Cc1ccccc1)C(=O)C1CN(CC(F)(F)F)C1 ZINC000804833606 623267333 /nfs/dbraw/zinc/26/73/33/623267333.db2.gz BXSANMSGESASST-UHFFFAOYSA-N 0 0 310.319 2.143 10 30 DEEERN C#CCC(CC#C)C(=O)NCCC[C@](C)(CC)C1OCCO1 ZINC000806959311 623910657 /nfs/dbraw/zinc/91/06/57/623910657.db2.gz PAPNLADJKZIKFF-SFHVURJKSA-N 0 0 305.418 2.335 10 30 DEEERN C[C@H](C#N)NS(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000160640685 624000696 /nfs/dbraw/zinc/00/06/96/624000696.db2.gz JOXPASJHCSNITA-SSDOTTSWSA-N 0 0 310.322 2.489 10 30 DEEERN CC[C@@H](C#N)OC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000084713998 624790494 /nfs/dbraw/zinc/79/04/94/624790494.db2.gz RHEAEMCKEDSECF-ZFWWWQNUSA-N 0 0 304.346 2.108 10 30 DEEERN CC[C@H](C#N)OC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000084713999 624790580 /nfs/dbraw/zinc/79/05/80/624790580.db2.gz RHEAEMCKEDSECF-HIFRSBDPSA-N 0 0 304.346 2.108 10 30 DEEERN CCOc1ccc(C=NOCC(=O)NC(C)(C)C)cc1OC ZINC000255500350 624872978 /nfs/dbraw/zinc/87/29/78/624872978.db2.gz KYIKQTQUYANUHS-UHFFFAOYSA-N 0 0 308.378 2.359 10 30 DEEERN N#CCOc1ccc(CC(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177786172 625089567 /nfs/dbraw/zinc/08/95/67/625089567.db2.gz SPVUTHKVXVBHLG-MRXNPFEDSA-N 0 0 324.384 2.019 10 30 DEEERN N#CC(C(=O)N1CCCC1)=C(O)C=Cc1ccnc(Cl)c1 ZINC000255560789 625092448 /nfs/dbraw/zinc/09/24/48/625092448.db2.gz KQJHRKQQFNOIQF-VSQXVHSFSA-N 0 0 303.749 2.079 10 30 DEEERN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C#N)C1CC1)C(C)C ZINC000161922526 625249650 /nfs/dbraw/zinc/24/96/50/625249650.db2.gz MXXPVYAYKJDEIE-CVEARBPZSA-N 0 0 313.401 2.168 10 30 DEEERN CCOC(=O)C1(C(=O)OC[C@@H](C#N)Cc2ccccc2)CC1 ZINC000181236846 625252919 /nfs/dbraw/zinc/25/29/19/625252919.db2.gz YBPTXUVVBUMNOC-CQSZACIVSA-N 0 0 301.342 2.255 10 30 DEEERN C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C)C2CCCC2)cc1 ZINC000733853803 633289059 /nfs/dbraw/zinc/28/90/59/633289059.db2.gz ULNXLQYLDJJBMU-ZDUSSCGKSA-N 0 0 314.385 2.332 10 30 DEEERN C=C(COC(=O)[C@@H](C)Oc1ccc(F)c(F)c1)C(=O)OCC ZINC000734029680 633312840 /nfs/dbraw/zinc/31/28/40/633312840.db2.gz UVHIOIHVCBVWAG-SNVBAGLBSA-N 0 0 314.284 2.395 10 30 DEEERN C=C(COC(=O)c1cnn(-c2ccccc2C)c1)C(=O)OCC ZINC000734032852 633313846 /nfs/dbraw/zinc/31/38/46/633313846.db2.gz BUYOTIHIYFNLCJ-UHFFFAOYSA-N 0 0 314.341 2.457 10 30 DEEERN C#CCOc1ccccc1CNC(=O)NCc1cscn1 ZINC000734168596 633341445 /nfs/dbraw/zinc/34/14/45/633341445.db2.gz YBPPPVMHCQAZFW-UHFFFAOYSA-N 0 0 301.371 2.155 10 30 DEEERN C=CC[C@@H](NC(=O)NCCCCC(=O)OC)c1ccncc1 ZINC000734665311 633412153 /nfs/dbraw/zinc/41/21/53/633412153.db2.gz LEYZPAJTZTUDSU-CQSZACIVSA-N 0 0 305.378 2.341 10 30 DEEERN C#CC[C@H](OC(=O)c1ccnc(O[C@@H]2CCOC2)c1)C(C)C ZINC000183649483 637546480 /nfs/dbraw/zinc/54/64/80/637546480.db2.gz YSZVKUVKVUWYND-CABCVRRESA-N 0 0 303.358 2.454 10 30 DEEERN COC[C@H](NC(=O)COc1cccc(C#N)c1)c1ccccc1 ZINC000727098622 637738787 /nfs/dbraw/zinc/73/87/87/637738787.db2.gz SLHSUWDBRUZVLC-KRWDZBQOSA-N 0 0 310.353 2.441 10 30 DEEERN CC(CCC1CCCC1)N=Nc1ccc(S(N)(=O)=O)cn1 ZINC000740760468 637905291 /nfs/dbraw/zinc/90/52/91/637905291.db2.gz DGUKCGKEJSCUHC-UHFFFAOYSA-N 0 0 310.423 2.487 10 30 DEEERN Cc1ccc([C@H](O)CNC(=O)NCc2ccc(C#N)cc2F)o1 ZINC000741407062 637977153 /nfs/dbraw/zinc/97/71/53/637977153.db2.gz DSFBCVLQKBRQKX-CQSZACIVSA-N 0 0 317.320 2.132 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cc3cccc(F)c3o2)CCN1C1CC1 ZINC000741928381 638024638 /nfs/dbraw/zinc/02/46/38/638024638.db2.gz OKAQWBJIBOCGOM-CYBMUJFWSA-N 0 0 313.332 2.384 10 30 DEEERN Cc1cccc(CNc2ccc(S(N)(=O)=O)cc2C#N)c1 ZINC000742174807 638040680 /nfs/dbraw/zinc/04/06/80/638040680.db2.gz MMKNMRXMFZQNRO-UHFFFAOYSA-N 0 0 301.371 2.126 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)OCCCSC)cc2C1=O ZINC000744458405 638223337 /nfs/dbraw/zinc/22/33/37/638223337.db2.gz LATNDPRFXWPUDH-UHFFFAOYSA-N 0 0 319.382 2.379 10 30 DEEERN CC#CCOC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000744778405 638245764 /nfs/dbraw/zinc/24/57/64/638245764.db2.gz DCWLVUKNROZFAH-HNNXBMFYSA-N 0 0 317.360 2.173 10 30 DEEERN COc1ccc(CNS(=O)(=O)C2CCCCC2)cc1C#N ZINC000746681089 638368983 /nfs/dbraw/zinc/36/89/83/638368983.db2.gz VLAXUIBWSDPUDA-UHFFFAOYSA-N 0 0 308.403 2.319 10 30 DEEERN COc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1C#N ZINC000746680847 638369696 /nfs/dbraw/zinc/36/96/96/638369696.db2.gz RNRXCFMXVUPILZ-UHFFFAOYSA-N 0 0 316.382 2.186 10 30 DEEERN COc1ccc(CNC(=O)c2cnc3onc(C)c3c2)cc1C#N ZINC000746886218 638384713 /nfs/dbraw/zinc/38/47/13/638384713.db2.gz HIPMWLPDQYHPJL-UHFFFAOYSA-N 0 0 322.324 2.342 10 30 DEEERN COc1ccc(CNC(=O)c2csc3cncn32)cc1C#N ZINC000747070301 638404320 /nfs/dbraw/zinc/40/43/20/638404320.db2.gz QNNDDEAKKHVQOV-UHFFFAOYSA-N 0 0 312.354 2.206 10 30 DEEERN C=CCN(C(C)C)S(=O)(=O)c1ccc(/C=C\C(=O)OC)cc1 ZINC000747250065 638422797 /nfs/dbraw/zinc/42/27/97/638422797.db2.gz HOEDYFDKVCJOSJ-FLIBITNWSA-N 0 0 323.414 2.458 10 30 DEEERN CCOCCN(CC)C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747423003 638436489 /nfs/dbraw/zinc/43/64/89/638436489.db2.gz OMEYGBKZERWSFQ-UHFFFAOYSA-N 0 0 305.378 2.135 10 30 DEEERN CON=Cc1ccc(C(=O)NCc2ccc(OC)c(C#N)c2)cc1 ZINC000747447006 638438480 /nfs/dbraw/zinc/43/84/80/638438480.db2.gz QUXVQRHSDSVQKH-UHFFFAOYSA-N 0 0 323.352 2.477 10 30 DEEERN COc1ccc(CNC(=O)[C@](C)(O)Cc2ccccc2)cc1C#N ZINC000747446826 638438547 /nfs/dbraw/zinc/43/85/47/638438547.db2.gz IXJWGPKPNYBSLI-LJQANCHMSA-N 0 0 324.380 2.177 10 30 DEEERN CC(C)c1cn(CN2CCN(C3CC3)[C@H](C#N)C2)c(=S)n1C ZINC000747456925 638440333 /nfs/dbraw/zinc/44/03/33/638440333.db2.gz ORNAUFHYPWKWRI-CQSZACIVSA-N 0 0 319.478 2.309 10 30 DEEERN CC[S@](=O)CCNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000747974873 638497011 /nfs/dbraw/zinc/49/70/11/638497011.db2.gz UFMSUSQDHFLVRR-SZNDQCEHSA-N 0 0 307.419 2.099 10 30 DEEERN N#CCOc1ccc(CNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000749370264 638639742 /nfs/dbraw/zinc/63/97/42/638639742.db2.gz RUYNLJBZWKMRQB-UHFFFAOYSA-N 0 0 305.337 2.320 10 30 DEEERN C#CCN(CC#C)C(=O)c1ccc(OCc2cccnc2)cc1 ZINC000752153935 639159534 /nfs/dbraw/zinc/15/95/34/639159534.db2.gz UVWASRQCFXTHPK-UHFFFAOYSA-N 0 0 304.349 2.369 10 30 DEEERN C=C(COC(=O)c1ccnc(N2CC[C@H](C)C2)c1)C(=O)OCC ZINC000752600051 639201547 /nfs/dbraw/zinc/20/15/47/639201547.db2.gz KEZAUYJBKTXRAR-LBPRGKRZSA-N 0 0 318.373 2.204 10 30 DEEERN C#CCCCS(=O)(=O)NCCOCc1ccc(Cl)cc1 ZINC000805046505 639326223 /nfs/dbraw/zinc/32/62/23/639326223.db2.gz BXUNGQFUPBINGH-UHFFFAOYSA-N 0 0 315.822 2.189 10 30 DEEERN C#Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cn1 ZINC000728811600 639428952 /nfs/dbraw/zinc/42/89/52/639428952.db2.gz CZOURMCIWUNKSE-UHFFFAOYSA-N 0 0 307.353 2.453 10 30 DEEERN CC(C)C1CCC2(CC1)NC(=O)N(CN(C)[C@@H](C)CC#N)C2=O ZINC000728902193 639630310 /nfs/dbraw/zinc/63/03/10/639630310.db2.gz KPSZKOOJBJJHIQ-CBCUQQMYSA-N 0 0 320.437 2.315 10 30 DEEERN C#Cc1ccc(C(=O)OCc2ccc(F)cc2C(=O)OC)cn1 ZINC000729029374 639949151 /nfs/dbraw/zinc/94/91/51/639949151.db2.gz QORLUERIJVJDHX-UHFFFAOYSA-N 0 0 313.284 2.346 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@]1(C)CCCO1 ZINC000805192946 640152376 /nfs/dbraw/zinc/15/23/76/640152376.db2.gz OYFYFJSKIZBESV-SJLPKXTDSA-N 0 0 300.402 2.489 10 30 DEEERN COc1ccc(CNC(=O)NC[C@H]2CCOC[C@H]2C)cc1C#N ZINC000805224274 640305730 /nfs/dbraw/zinc/30/57/30/640305730.db2.gz UBRAEJBJESQGAE-TZMCWYRMSA-N 0 0 317.389 2.039 10 30 DEEERN CC#CCNC(=O)N1CCC([C@@H](O)c2ccccc2C)CC1 ZINC000805242760 640411837 /nfs/dbraw/zinc/41/18/37/640411837.db2.gz NODRNVSOUVSMTG-QGZVFWFLSA-N 0 0 300.402 2.473 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCC[C@H]1CCOC1 ZINC000805279400 640600446 /nfs/dbraw/zinc/60/04/46/640600446.db2.gz JJXSTVOBISKONX-IRXDYDNUSA-N 0 0 300.402 2.347 10 30 DEEERN N#Cc1ccc(CNC(=S)NCCc2cccnc2)c(F)c1 ZINC000729820950 640845918 /nfs/dbraw/zinc/84/59/18/640845918.db2.gz AISBBGBCBGDDMF-UHFFFAOYSA-N 0 0 314.389 2.299 10 30 DEEERN C=CC[C@H](NC(=O)C(=O)N1C[C@H](C)CC[C@@H]1C)c1ccncc1 ZINC000805807563 643372648 /nfs/dbraw/zinc/37/26/48/643372648.db2.gz KBPWOOJYDPAFSB-YCPHGPKFSA-N 0 0 315.417 2.462 10 30 DEEERN C#C[C@@H](Cc1ccccc1)OC(=O)CO[C@H](C)c1nccn1C ZINC000805900296 643758606 /nfs/dbraw/zinc/75/86/06/643758606.db2.gz LFFMDHSALDGNEM-ZBFHGGJFSA-N 0 0 312.369 2.285 10 30 DEEERN N#Cc1cccc(CC(=O)NCCC(=O)OC2CCCCC2)c1 ZINC000801081084 645339553 /nfs/dbraw/zinc/33/95/53/645339553.db2.gz POEPXJFEEXVWMN-UHFFFAOYSA-N 0 0 314.385 2.483 10 30 DEEERN CC#CC(=O)NCc1ccc(OCc2cccnc2)c(OC)c1 ZINC000801133853 645344261 /nfs/dbraw/zinc/34/42/61/645344261.db2.gz YGMBXMYKWUNOLE-UHFFFAOYSA-N 0 0 310.353 2.309 10 30 DEEERN CC#CC(=O)Nc1ncc(Cc2cccc(C(=O)OC)c2)s1 ZINC000801145298 645346074 /nfs/dbraw/zinc/34/60/74/645346074.db2.gz PEGIOOYFKWNONX-UHFFFAOYSA-N 0 0 314.366 2.482 10 30 DEEERN N#Cc1ccc(-c2nnc(CN3CCO[C@@H](C(F)F)C3)o2)cc1 ZINC000801566547 645417475 /nfs/dbraw/zinc/41/74/75/645417475.db2.gz OCNCQLOLWQBJPS-GFCCVEGCSA-N 0 0 320.299 2.074 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCCO[C@@H](C)C#N ZINC000801830232 645445838 /nfs/dbraw/zinc/44/58/38/645445838.db2.gz RPUDEXYZAKYYPJ-BBRMVZONSA-N 0 0 316.357 2.434 10 30 DEEERN COCCn1c(C2CCC2)nnc1N1CCC(C)(C#N)CC1 ZINC000802461875 645527407 /nfs/dbraw/zinc/52/74/07/645527407.db2.gz DYWCURIWXAOKCW-UHFFFAOYSA-N 0 0 303.410 2.322 10 30 DEEERN C[C@@]1(C2CCCC2)NC(=O)N(CN2CCC(C)(C#N)CC2)C1=O ZINC000802738840 645550740 /nfs/dbraw/zinc/55/07/40/645550740.db2.gz WBDZWOKQIDHLCV-KRWDZBQOSA-N 0 0 318.421 2.070 10 30 DEEERN C#C[C@H](C)Oc1ccc(COC(=O)COC[C@H]2CCCO2)cc1 ZINC000802809745 645561648 /nfs/dbraw/zinc/56/16/48/645561648.db2.gz PMMIDOLZIBMLEF-WMLDXEAASA-N 0 0 318.369 2.326 10 30 DEEERN C#C[C@H](C)Oc1ccc(COC(=O)[C@H](C)CC(=O)OC)cc1 ZINC000802811847 645562995 /nfs/dbraw/zinc/56/29/95/645562995.db2.gz QKKQCJRTRFXSEZ-OLZOCXBDSA-N 0 0 304.342 2.330 10 30 DEEERN C#CCn1c(-c2cnn(C)n2)csc1=Nc1cccc(C#C)c1 ZINC000803197039 645616320 /nfs/dbraw/zinc/61/63/20/645616320.db2.gz RQYNHILOPIEPDO-UHFFFAOYSA-N 0 0 319.393 2.192 10 30 DEEERN C=C(C)CCOC(=O)Cn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000803262041 645626555 /nfs/dbraw/zinc/62/65/55/645626555.db2.gz ZDWPJKBNJJMDCK-UHFFFAOYSA-N 0 0 306.274 2.012 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1nc2c(C)cccc2c(=O)[nH]1 ZINC000803698129 645681000 /nfs/dbraw/zinc/68/10/00/645681000.db2.gz FMRJVXPDKQEYIG-UHFFFAOYSA-N 0 0 308.337 2.350 10 30 DEEERN C#CCC(CC#C)C(=O)OCCCS(=O)(=O)c1ccccc1 ZINC000803697328 645681037 /nfs/dbraw/zinc/68/10/37/645681037.db2.gz ZIJCSOGWYBXXFB-UHFFFAOYSA-N 0 0 318.394 2.056 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000803697747 645681183 /nfs/dbraw/zinc/68/11/83/645681183.db2.gz QEMLWPHOUQAOCL-IJEWVQPXSA-N 0 0 303.402 2.133 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H]1CCN(c2ccccc2F)C1=O ZINC000803699539 645681935 /nfs/dbraw/zinc/68/19/35/645681935.db2.gz HDAHPKLTGUNXJN-MRXNPFEDSA-N 0 0 313.328 2.137 10 30 DEEERN C#CCC(CC#C)C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000803700324 645682437 /nfs/dbraw/zinc/68/24/37/645682437.db2.gz KXJFFOPJQOHHAP-UHFFFAOYSA-N 0 0 301.298 2.180 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C1(C(=O)NC2CC2)CCC1 ZINC000804452072 645773354 /nfs/dbraw/zinc/77/33/54/645773354.db2.gz BGCNPSMWWVYMIP-KRWDZBQOSA-N 0 0 324.424 2.186 10 30 DEEERN C=CCn1c2ncn(Cc3cnns3)c(=O)c2sc1=S ZINC000806585929 645849645 /nfs/dbraw/zinc/84/96/45/645849645.db2.gz BBVCFZRRMYEUAK-UHFFFAOYSA-N 0 0 323.428 2.075 10 30 DEEERN C=CCN(C(=O)C(=O)Nc1cccc(C(C)(C)O)c1)C1CC1 ZINC000807026174 645902161 /nfs/dbraw/zinc/90/21/61/645902161.db2.gz KNZDPFZZIOVDAC-UHFFFAOYSA-N 0 0 302.374 2.030 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]([C@H](C)O)C1 ZINC000807466925 645954223 /nfs/dbraw/zinc/95/42/23/645954223.db2.gz HKNBFTOUSSYQSN-BHYGNILZSA-N 0 0 300.402 2.033 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CCO)C1 ZINC000807469024 645954554 /nfs/dbraw/zinc/95/45/54/645954554.db2.gz FCLURSAGUWDOBX-MSOLQXFVSA-N 0 0 314.429 2.425 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@](C)(O)CSC ZINC000807466668 645954674 /nfs/dbraw/zinc/95/46/74/645954674.db2.gz YQAPPPNWUCLVAD-NVXWUHKLSA-N 0 0 320.458 2.034 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@]1(CC)CCOC1 ZINC000807471260 645955170 /nfs/dbraw/zinc/95/51/70/645955170.db2.gz VZWQFOSMJOGNIV-AEFFLSMTSA-N 0 0 300.402 2.489 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@]1(CC)CCOC1 ZINC000807471261 645955403 /nfs/dbraw/zinc/95/54/03/645955403.db2.gz VZWQFOSMJOGNIV-FUHWJXTLSA-N 0 0 300.402 2.489 10 30 DEEERN C=CCCOCC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000807722935 645980237 /nfs/dbraw/zinc/98/02/37/645980237.db2.gz WXQCFVKZGRWCLR-STQMWFEESA-N 0 0 312.410 2.093 10 30 DEEERN C#CCCOC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000151307335 646334924 /nfs/dbraw/zinc/33/49/24/646334924.db2.gz UMELUFBKMRBUNP-SNVBAGLBSA-N 0 0 312.291 2.475 10 30 DEEERN C[C@H](C#N)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000151362313 646351789 /nfs/dbraw/zinc/35/17/89/646351789.db2.gz VTSYQVBIDGARNZ-YPMHNXCESA-N 0 0 303.362 2.281 10 30 DEEERN C[C@H](C#N)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000151362171 646352127 /nfs/dbraw/zinc/35/21/27/646352127.db2.gz VTSYQVBIDGARNZ-DGCLKSJQSA-N 0 0 303.362 2.281 10 30 DEEERN C=C(Br)CNC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171467104 646700661 /nfs/dbraw/zinc/70/06/61/646700661.db2.gz NIAQGVVBHMNIMG-LLVKDONJSA-N 0 0 313.199 2.175 10 30 DEEERN C=C(Br)CNC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171467099 646700846 /nfs/dbraw/zinc/70/08/46/646700846.db2.gz NIAQGVVBHMNIMG-NSHDSACASA-N 0 0 313.199 2.175 10 30 DEEERN C#CCCCNC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000172922714 646754206 /nfs/dbraw/zinc/75/42/06/646754206.db2.gz MEANUPOUMRDHLP-HOCLYGCPSA-N 0 0 300.402 2.361 10 30 DEEERN CCCCCCCCCC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000173085752 646759611 /nfs/dbraw/zinc/75/96/11/646759611.db2.gz YURXUTZQFRGINI-UHFFFAOYSA-N 0 0 309.410 2.163 10 30 DEEERN N#CCCCOC(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000173269462 646763136 /nfs/dbraw/zinc/76/31/36/646763136.db2.gz QDBCGPRXEMPUBY-UHFFFAOYSA-N 0 0 300.358 2.386 10 30 DEEERN C#C[C@H](C)OC(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000174434820 646811095 /nfs/dbraw/zinc/81/10/95/646811095.db2.gz SHZUWIINRVOCAI-IINYFYTJSA-N 0 0 309.312 2.284 10 30 DEEERN C#C[C@H](C)OC(=O)CCCCOc1ccc(S(C)(=O)=O)cc1 ZINC000174441326 646811161 /nfs/dbraw/zinc/81/11/61/646811161.db2.gz NIWMFPLCEWFHNE-ZDUSSCGKSA-N 0 0 324.398 2.204 10 30 DEEERN C#C[C@H](C)OC(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C ZINC000174473389 646811873 /nfs/dbraw/zinc/81/18/73/646811873.db2.gz CURYLMJRGARGIG-SWLSCSKDSA-N 0 0 303.358 2.015 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1OC ZINC000730277959 646884352 /nfs/dbraw/zinc/88/43/52/646884352.db2.gz HONILZUETFXABP-AWEZNQCLSA-N 0 0 306.793 2.062 10 30 DEEERN CC[C@H](Nc1ccccc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732677939 647638092 /nfs/dbraw/zinc/63/80/92/647638092.db2.gz GIQNSQRUXWZRJM-IRXDYDNUSA-N 0 0 312.417 2.076 10 30 DEEERN Cc1cccc2c1CC[C@H]2NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732704265 647645560 /nfs/dbraw/zinc/64/55/60/647645560.db2.gz VFJITTNRSMUKJJ-CRAIPNDOSA-N 0 0 324.428 2.364 10 30 DEEERN N#Cc1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000064242209 648040212 /nfs/dbraw/zinc/04/02/12/648040212.db2.gz OWEWRECSBBWZOY-UHFFFAOYSA-N 0 0 310.312 2.296 10 30 DEEERN Cc1ccc([C@@](O)(CC(=O)N[C@H](C#N)C2CC2)C(F)(F)F)o1 ZINC000180097439 648458281 /nfs/dbraw/zinc/45/82/81/648458281.db2.gz ZZVLEUHKORAPML-MFKMUULPSA-N 0 0 316.279 2.146 10 30 DEEERN N#CC1(COC(=O)CCCc2nc(C3CC3)no2)CCOCC1 ZINC000183936653 649204311 /nfs/dbraw/zinc/20/43/11/649204311.db2.gz GWISKOYAQQFREN-UHFFFAOYSA-N 0 0 319.361 2.133 10 30 DEEERN N#CC1(COC(=O)c2cc3ccccc3[nH]c2=O)CCOCC1 ZINC000183936578 649204440 /nfs/dbraw/zinc/20/44/40/649204440.db2.gz BUFILVQSVAEQNN-UHFFFAOYSA-N 0 0 312.325 2.005 10 30 DEEERN C#CCCNC(=O)c1occc1CN1C(=O)Cc2ccccc21 ZINC000733287611 649537402 /nfs/dbraw/zinc/53/74/02/649537402.db2.gz JXGCPSLDWSKBBF-UHFFFAOYSA-N 0 0 308.337 2.122 10 30 DEEERN COC[C@H](C)COC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000185768573 649612175 /nfs/dbraw/zinc/61/21/75/649612175.db2.gz FGOARRXWGFUJDD-LBPRGKRZSA-N 0 0 307.394 2.172 10 30 DEEERN C[C@H](CCS(C)(=O)=O)OC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000185826606 649636757 /nfs/dbraw/zinc/63/67/57/649636757.db2.gz LNDOFISKAYGJQQ-GFCCVEGCSA-N 0 0 321.398 2.222 10 30 DEEERN C#CCOc1cccc(NC(=O)c2cnn3ccc(C)nc23)c1 ZINC000108183364 651597086 /nfs/dbraw/zinc/59/70/86/651597086.db2.gz MSZRJSADAZVORN-UHFFFAOYSA-N 0 0 306.325 2.302 10 30 DEEERN CCc1ccc(N2C[C@@H](C(=O)N[C@H](C#N)C3CC3)CC2=O)cc1 ZINC000108831886 651722133 /nfs/dbraw/zinc/72/21/33/651722133.db2.gz HYZJZTDSHMHGRZ-GOEBONIOSA-N 0 0 311.385 2.020 10 30 DEEERN C=CCOc1ccc(C(=O)OCCc2cnn(C)c2)cc1OC ZINC000114983618 652082797 /nfs/dbraw/zinc/08/27/97/652082797.db2.gz ZKEAUYLOWGDKAH-UHFFFAOYSA-N 0 0 316.357 2.393 10 30 DEEERN C=CCCCN(C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000076664626 683945305 /nfs/dbraw/zinc/94/53/05/683945305.db2.gz ZRJDIQNMIDXLQM-UHFFFAOYSA-N 0 0 303.318 2.046 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000076854222 683946511 /nfs/dbraw/zinc/94/65/11/683946511.db2.gz FWGJGAHHUNNIDX-UHFFFAOYSA-N 0 0 307.371 2.380 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)N(C)Cc2ccc(F)cc2)c1 ZINC000080258561 683979683 /nfs/dbraw/zinc/97/96/83/683979683.db2.gz TXOATQMEDQVSAD-UHFFFAOYSA-N 0 0 310.328 2.404 10 30 DEEERN C=CCNC(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000081530534 683991614 /nfs/dbraw/zinc/99/16/14/683991614.db2.gz BQPBNIOSMIAOLO-CQSZACIVSA-N 0 0 313.401 2.498 10 30 DEEERN Cn1cc(C#N)cc1C(=O)OCCOCCOc1ccccc1 ZINC000083687582 683998344 /nfs/dbraw/zinc/99/83/44/683998344.db2.gz VDDDJWUCDBEZHQ-UHFFFAOYSA-N 0 0 314.341 2.149 10 30 DEEERN C#Cc1cccc(N(C)C(=O)c2cnc3c(C)cccn3c2=O)c1 ZINC000091047363 684034032 /nfs/dbraw/zinc/03/40/32/684034032.db2.gz NSXRIPDWXAFKQS-UHFFFAOYSA-N 0 0 317.348 2.261 10 30 DEEERN CCCn1cnnc1COC(=O)[C@H](C)Oc1ccccc1C#N ZINC000124310591 684133732 /nfs/dbraw/zinc/13/37/32/684133732.db2.gz WOFGZYFZZKQHHY-LBPRGKRZSA-N 0 0 314.345 2.070 10 30 DEEERN CCC(=O)N1CC[C@@H](C(=O)OC[C@H](C#N)Cc2ccccc2)C1 ZINC000124855133 684139238 /nfs/dbraw/zinc/13/92/38/684139238.db2.gz AIOYUYCBSCJWOS-JKSUJKDBSA-N 0 0 314.385 2.171 10 30 DEEERN CNS(=O)(=O)c1ccc(C(=O)/C=C/c2cccnc2C)cc1 ZINC000125291499 684143990 /nfs/dbraw/zinc/14/39/90/684143990.db2.gz XMOSPEWWKGYRFS-JXMROGBWSA-N 0 0 316.382 2.194 10 30 DEEERN C#CCOc1ccc(/C=C2/N=C(c3cccnc3)OC2=O)cc1 ZINC000130172773 684186140 /nfs/dbraw/zinc/18/61/40/684186140.db2.gz KXLXBKGWXFEOAB-LFIBNONCSA-N 0 0 304.305 2.438 10 30 DEEERN N#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000135296292 684234127 /nfs/dbraw/zinc/23/41/27/684234127.db2.gz JTIGYMUBTUQJAI-YPMHNXCESA-N 0 0 321.352 2.401 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)OCc1nccn1C ZINC000156243586 684287801 /nfs/dbraw/zinc/28/78/01/684287801.db2.gz WBVBHLNNZWPIJQ-UHFFFAOYSA-N 0 0 302.330 2.351 10 30 DEEERN C=C[C@@](C)(CCOC)COC(=O)CNC(=O)c1ccccc1 ZINC000187558729 684340663 /nfs/dbraw/zinc/34/06/63/684340663.db2.gz SHQFNXJRZATMPK-KRWDZBQOSA-N 0 0 305.374 2.188 10 30 DEEERN C[C@H](C#N)Oc1ccccc1NC(=O)NCC1(CCO)CC1 ZINC000189321353 684378971 /nfs/dbraw/zinc/37/89/71/684378971.db2.gz GZZVOBPJYSUVLA-GFCCVEGCSA-N 0 0 303.362 2.262 10 30 DEEERN C=C[C@](C)(CCOC)COC(=O)c1cccc(-n2cnnn2)c1 ZINC000191103172 684421013 /nfs/dbraw/zinc/42/10/13/684421013.db2.gz QOIFKSQBTNYADB-MRXNPFEDSA-N 0 0 316.361 2.048 10 30 DEEERN Cc1nc(CNC(=O)C#Cc2ccc(C(F)(F)F)cc2)no1 ZINC000191847709 684437249 /nfs/dbraw/zinc/43/72/49/684437249.db2.gz WKKJAFAWNGKNLF-UHFFFAOYSA-N 0 0 309.247 2.065 10 30 DEEERN C[C@H](OC[C@H]1CCCO1)C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000246418832 685130078 /nfs/dbraw/zinc/13/00/78/685130078.db2.gz BRJBMHJCKGGLHQ-USXIJHARSA-N 0 0 317.385 2.496 10 30 DEEERN CC(=O)c1ccc(NN=C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000252597193 685193913 /nfs/dbraw/zinc/19/39/13/685193913.db2.gz CPFQEUZNJCKFMZ-UHFFFAOYSA-N 0 0 320.352 2.497 10 30 DEEERN C#CCCS(=O)(=O)N[C@@H](C)c1ccccc1Br ZINC000279548267 685214465 /nfs/dbraw/zinc/21/44/65/685214465.db2.gz WJCTUTVNZNKXAB-JTQLQIEISA-N 0 0 316.220 2.453 10 30 DEEERN CC(=O)N1CCO[C@H]2CCN(c3c(Cl)cccc3C#N)C[C@@H]21 ZINC000886056910 691994479 /nfs/dbraw/zinc/99/44/79/691994479.db2.gz QIKBPNRJSNOPMU-GJZGRUSLSA-N 0 0 319.792 2.038 10 30 DEEERN CN=c1scc(-c2ccc(C#N)cc2)n1N=Cc1ccnn1C ZINC000588458229 777222429 /nfs/dbraw/zinc/22/24/29/777222429.db2.gz XNWRLQICWSQVTQ-UHFFFAOYSA-N 0 0 322.397 2.234 10 30 DEEERN C#Cc1ccc(C(=O)NCc2cccc(OCCOC)c2)cn1 ZINC000728815034 778498018 /nfs/dbraw/zinc/49/80/18/778498018.db2.gz LCBJUIFFHAZSDA-UHFFFAOYSA-N 0 0 310.353 2.018 10 30 DEEERN CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(C#N)s2)CO1 ZINC000722489647 778739836 /nfs/dbraw/zinc/73/98/36/778739836.db2.gz KLMBRWQWOXMUAK-SNVBAGLBSA-N 0 0 309.391 2.260 10 30 DEEERN CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1Cl ZINC000494606969 791207417 /nfs/dbraw/zinc/20/74/17/791207417.db2.gz CZOLNAOQJSACOH-LBPRGKRZSA-N 0 0 309.778 2.072 10 30 DEEERN CC[C@H](C[C@@H](C)O)NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000716955090 797953459 /nfs/dbraw/zinc/95/34/59/797953459.db2.gz SNTCPBYYHBWRFF-MWLCHTKSSA-N 0 0 316.810 2.039 10 30 DEEERN N#CC1(C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)CCOCC1 ZINC000800087810 799309678 /nfs/dbraw/zinc/30/96/78/799309678.db2.gz QCLGJSIMDVPMNU-AWEZNQCLSA-N 0 0 304.777 2.244 10 30 DEEERN CC#CCNC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000155899848 800865454 /nfs/dbraw/zinc/86/54/54/800865454.db2.gz NNSUPSURDWXKLB-UHFFFAOYSA-N 0 0 306.365 2.223 10 30 DEEERN N#C[C@@]1(NC(=O)c2ccc(NC=O)cc2)CCc2ccccc2C1 ZINC000186902063 802075581 /nfs/dbraw/zinc/07/55/81/802075581.db2.gz KIJOIKULWXGHDY-LJQANCHMSA-N 0 0 319.364 2.436 10 30 DEEERN C#CCCNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000700602820 1086321394 /nfs/dbraw/zinc/32/13/94/1086321394.db2.gz ONYQWQSQOHREOQ-UHFFFAOYSA-N 0 0 306.159 2.364 10 30 DEEERN N#Cc1c(F)cccc1S(=O)(=O)NCC[C@@H]1CCSC1 ZINC000704866859 1086595199 /nfs/dbraw/zinc/59/51/99/1086595199.db2.gz GRROOIHKECNDFR-SNVBAGLBSA-N 0 0 314.407 2.119 10 30 DEEERN CS[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(F)cc(C#N)c2)C1 ZINC000720036972 1089428608 /nfs/dbraw/zinc/42/86/08/1089428608.db2.gz JSCWOSDCGVMYQB-VXGBXAGGSA-N 0 0 314.407 2.260 10 30 DEEERN C=C[C@@H](O)C(=O)N(Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000612060805 361735033 /nfs/dbraw/zinc/73/50/33/361735033.db2.gz MQXMCGXLSCGJNK-QGZVFWFLSA-N 0 0 311.385 2.169 10 30 DEEERN C=CCn1c(CC(F)(F)F)nnc1N1CCO[C@@H](CCF)C1 ZINC000624826826 365562327 /nfs/dbraw/zinc/56/23/27/365562327.db2.gz CKIWIUXXDLQOQY-JTQLQIEISA-N 0 0 322.306 2.134 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N1CC[C@@H](CO)C[C@H]1C ZINC000624830040 365563395 /nfs/dbraw/zinc/56/33/95/365563395.db2.gz PDFXKCZOKRGKBU-CHWSQXEVSA-N 0 0 302.378 2.321 10 30 DEEERN C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCO[C@@H](C2CC2)C1 ZINC000624837115 365566397 /nfs/dbraw/zinc/56/63/97/365566397.db2.gz NVQDPACVKFNBTP-BPLDGKMQSA-N 0 0 318.421 2.319 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000612083289 361741991 /nfs/dbraw/zinc/74/19/91/361741991.db2.gz XTWMEWRGXBVXHR-SOUVJXGZSA-N 0 0 310.463 2.344 10 30 DEEERN C=CCCCN(C)c1nnc(-c2cc[nH]n2)n1C[C@@H]1CCOC1 ZINC000612157994 361759382 /nfs/dbraw/zinc/75/93/82/361759382.db2.gz NAJGFXZGPREASI-ZDUSSCGKSA-N 0 0 316.409 2.107 10 30 DEEERN C=C(C)Cn1c(C2CCC2)nnc1N1CCO[C@@](C)(COC)C1 ZINC000624965962 365601740 /nfs/dbraw/zinc/60/17/40/365601740.db2.gz KOMGFKMIGDNLPZ-QGZVFWFLSA-N 0 0 320.437 2.363 10 30 DEEERN C=CCN(C(C)C)S(=O)(=O)c1ccc(OCC)c(CO)c1 ZINC000162535952 197572822 /nfs/dbraw/zinc/57/28/22/197572822.db2.gz PSPPHCDCCOUCAY-UHFFFAOYSA-N 0 0 313.419 2.163 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](CCF)C1 ZINC000624973681 365603418 /nfs/dbraw/zinc/60/34/18/365603418.db2.gz HUCRYQKFCZJMME-ZIAGYGMSSA-N 0 0 324.400 2.271 10 30 DEEERN N#Cc1cccc(S(=O)(=O)CCSc2ccc(N)cn2)c1 ZINC000163304251 197623016 /nfs/dbraw/zinc/62/30/16/197623016.db2.gz NPEOCRAPTZZRGC-UHFFFAOYSA-N 0 0 319.411 2.101 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCc1cccc(N(C)C)n1 ZINC000152262951 282139304 /nfs/dbraw/zinc/13/93/04/282139304.db2.gz KTLHHRHCLVRCMG-CYBMUJFWSA-N 0 0 324.384 2.103 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000612569765 361863341 /nfs/dbraw/zinc/86/33/41/361863341.db2.gz LNCAUMFTXUZWFH-MHORFTMASA-N 0 0 312.413 2.159 10 30 DEEERN COc1ccc(C#N)cc1Cn1cnc(Cl)c(Cl)c1=O ZINC000164840936 197664494 /nfs/dbraw/zinc/66/44/94/197664494.db2.gz QACRNGLIXSRSHV-UHFFFAOYSA-N 0 0 310.140 2.479 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)CC(=O)c1cccs1 ZINC000612828840 361926329 /nfs/dbraw/zinc/92/63/29/361926329.db2.gz VHQISCRBMVIUFV-WCQYABFASA-N 0 0 322.430 2.297 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](CC)c1c(C)noc1C ZINC000613019067 361983944 /nfs/dbraw/zinc/98/39/44/361983944.db2.gz RFXUZNHZWUKTBK-KGLIPLIRSA-N 0 0 307.394 2.330 10 30 DEEERN N#Cc1ccccc1NC(=O)Cc1cnnn1-c1ccccc1 ZINC000082338487 185176205 /nfs/dbraw/zinc/17/62/05/185176205.db2.gz GRSQQQMBQJFDSF-UHFFFAOYSA-N 0 0 303.325 2.320 10 30 DEEERN CCc1nnsc1C(=O)Nc1ccc(C#CCCO)cc1 ZINC000087456325 185225570 /nfs/dbraw/zinc/22/55/70/185225570.db2.gz DRNMEKWRFWIJPO-UHFFFAOYSA-N 0 0 301.371 2.087 10 30 DEEERN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(Br)cc1N ZINC000088467370 185251866 /nfs/dbraw/zinc/25/18/66/185251866.db2.gz HXNDGFCRAHKTCB-QMMMGPOBSA-N 0 0 318.196 2.075 10 30 DEEERN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(N)cc1Br ZINC000088467965 185251963 /nfs/dbraw/zinc/25/19/63/185251963.db2.gz SWQWDUNXJISESF-QMMMGPOBSA-N 0 0 318.196 2.075 10 30 DEEERN CC[C@@H](C#N)S(=O)(=O)NCc1cccc(C(F)(F)F)c1 ZINC000088474923 185252483 /nfs/dbraw/zinc/25/24/83/185252483.db2.gz PHTMGXYUDAHIHM-NSHDSACASA-N 0 0 306.309 2.427 10 30 DEEERN C[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(N)cc1C#N ZINC000088506974 185254327 /nfs/dbraw/zinc/25/43/27/185254327.db2.gz CDBJGGUNAHRBAD-RISCZKNCSA-N 0 0 307.419 2.388 10 30 DEEERN C=C(C)CN(CC)S(=O)(=O)c1ccc(Cl)c(CO)c1 ZINC000088877379 185268112 /nfs/dbraw/zinc/26/81/12/185268112.db2.gz DUJHCDLKBFJBQV-UHFFFAOYSA-N 0 0 303.811 2.419 10 30 DEEERN C=CCOCCNC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000613191342 362033966 /nfs/dbraw/zinc/03/39/66/362033966.db2.gz PMEVLSRFMHMOMH-AWEZNQCLSA-N 0 0 306.362 2.482 10 30 DEEERN C=CCSCCNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000181318856 199281069 /nfs/dbraw/zinc/28/10/69/199281069.db2.gz MQINRTVKHDCFBM-UHFFFAOYSA-N 0 0 307.341 2.485 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](CCOC)c1ccc(C)o1 ZINC000613312960 362078182 /nfs/dbraw/zinc/07/81/82/362078182.db2.gz JGLQSZXRORFMGL-HUUCEWRRSA-N 0 0 322.405 2.253 10 30 DEEERN CCC1(CC)[C@H](NC(=O)c2cc(C#N)cn2C)[C@@H](C)[C@@H]1OC ZINC000092349159 185313442 /nfs/dbraw/zinc/31/34/42/185313442.db2.gz YLPUDKSFYKKGRR-DFBGVHRSSA-N 0 0 303.406 2.466 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](C)c1nc(C)cs1 ZINC000613482920 362125763 /nfs/dbraw/zinc/12/57/63/362125763.db2.gz XPLGILWMURUFAY-GXFFZTMASA-N 0 0 309.435 2.142 10 30 DEEERN C#CC[N@@H+](CC(=O)[O-])[C@@H]1CCc2cc(Br)ccc2C1 ZINC000092491257 185322081 /nfs/dbraw/zinc/32/20/81/185322081.db2.gz JRGFHIAAZAFIOY-CQSZACIVSA-N 0 0 322.202 2.326 10 30 DEEERN C=CC[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000092475268 185321098 /nfs/dbraw/zinc/32/10/98/185321098.db2.gz BHYWOUYDBYRMTE-UHFFFAOYSA-N 0 0 303.145 2.406 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(CO)c(C)cc1C ZINC000613865979 362235703 /nfs/dbraw/zinc/23/57/03/362235703.db2.gz JYVLQEWTVDNHNU-MRXNPFEDSA-N 0 0 304.390 2.205 10 30 DEEERN C=CCn1c(N)nnc1SCc1nnc(-c2ccccc2)o1 ZINC000074268437 539353147 /nfs/dbraw/zinc/35/31/47/539353147.db2.gz NRZXVKILKVZLMC-UHFFFAOYSA-N 0 0 314.374 2.389 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](CC(F)(F)F)C1 ZINC000614026078 362265255 /nfs/dbraw/zinc/26/52/55/362265255.db2.gz DTTNTWJBXBPQEO-RYUDHWBXSA-N 0 0 306.328 2.258 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C1(C(F)(F)F)CCOCC1 ZINC000614372358 362364348 /nfs/dbraw/zinc/36/43/48/362364348.db2.gz IDSBNJNMBLJFSJ-NWDGAFQWSA-N 0 0 321.339 2.443 10 30 DEEERN CN1CCN(C(=O)NCc2cc(C3CC3)ccc2F)C[C@H]1C#N ZINC000333305310 530068983 /nfs/dbraw/zinc/06/89/83/530068983.db2.gz CQCZIFCXQHJXMY-OAHLLOKOSA-N 0 0 316.380 2.052 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc2cc(C)ccc2[nH]1 ZINC000615185789 362552887 /nfs/dbraw/zinc/55/28/87/362552887.db2.gz PEUUGIANDILVBL-CQSZACIVSA-N 0 0 300.362 2.281 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000615687113 362680625 /nfs/dbraw/zinc/68/06/25/362680625.db2.gz XKWMPNBJJMCEBO-DAXOMENPSA-N 0 0 316.401 2.486 10 30 DEEERN CC(C)[C@@H](CNC(=O)Cc1cccc(C#N)c1)c1ccnn1C ZINC000615954668 362738089 /nfs/dbraw/zinc/73/80/89/362738089.db2.gz QYKYYJZOTBBUDU-MRXNPFEDSA-N 0 0 310.401 2.390 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1ccc(Nc2ccn(C)n2)cc1 ZINC000616098653 362771941 /nfs/dbraw/zinc/77/19/41/362771941.db2.gz ANABTHUCOLYABX-HNNXBMFYSA-N 0 0 314.389 2.221 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1F ZINC000616219170 362799352 /nfs/dbraw/zinc/79/93/52/362799352.db2.gz XLEPSVYWMQGWCA-IMJJTQAJSA-N 0 0 304.365 2.269 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CC12CCSCC2 ZINC000616364437 362836605 /nfs/dbraw/zinc/83/66/05/362836605.db2.gz HTOHGPDCNJVXMS-UONOGXRCSA-N 0 0 310.463 2.107 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CCOC[C@H]1C ZINC000277454574 213537895 /nfs/dbraw/zinc/53/78/95/213537895.db2.gz MDJDJZPQBMMYQI-DGCLKSJQSA-N 0 0 306.337 2.384 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(F)cc(N(C)C)c1 ZINC000616547063 362886721 /nfs/dbraw/zinc/88/67/21/362886721.db2.gz JHCWZLDQZJNXEX-HNNXBMFYSA-N 0 0 307.369 2.301 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC000616701436 362913322 /nfs/dbraw/zinc/91/33/22/362913322.db2.gz CYQAHCPNLNPHMB-CVEARBPZSA-N 0 0 308.422 2.017 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@H](C)OC2(CCCCC2)C1 ZINC000616720478 362919980 /nfs/dbraw/zinc/91/99/80/362919980.db2.gz NEOTWLFAOPALHB-HOCLYGCPSA-N 0 0 322.449 2.408 10 30 DEEERN C#CCC[C@@H](NN)c1ccccc1I ZINC000133695272 186007553 /nfs/dbraw/zinc/00/75/53/186007553.db2.gz PLRNFIKNLUMDMX-LLVKDONJSA-N 0 0 300.143 2.209 10 30 DEEERN C[C@@H]1SCCN(C(=O)c2ccc(F)cc2C#CCO)[C@H]1C ZINC000133652385 186003672 /nfs/dbraw/zinc/00/36/72/186003672.db2.gz NYZSGBXSWCKAMI-RYUDHWBXSA-N 0 0 307.390 2.136 10 30 DEEERN Cc1ccc(C#CCO)c(C(=O)N2CCS[C@@H](C)[C@@H]2C)c1 ZINC000133655670 186003794 /nfs/dbraw/zinc/00/37/94/186003794.db2.gz PLUBTIKGLXQWPS-KBPBESRZSA-N 0 0 303.427 2.305 10 30 DEEERN COc1ccc([C@@H](C)NC(=O)c2ccc(C#N)cn2)cc1OC ZINC000170959526 197858042 /nfs/dbraw/zinc/85/80/42/197858042.db2.gz NFTUXFAKQOADDU-LLVKDONJSA-N 0 0 311.341 2.461 10 30 DEEERN CCOc1ccc(N)c([S@@](=O)Cc2ccnc(C#N)c2)c1 ZINC000149643750 186051989 /nfs/dbraw/zinc/05/19/89/186051989.db2.gz ACBMTCBYEGVBIS-OAQYLSRUSA-N 0 0 301.371 2.242 10 30 DEEERN CCC1(CC)CC(=O)N(Cc2sccc2C#CCO)C1=O ZINC000148747634 186045890 /nfs/dbraw/zinc/04/58/90/186045890.db2.gz ZBLGFSNMYJTWIY-UHFFFAOYSA-N 0 0 305.399 2.157 10 30 DEEERN CCc1nnsc1C(=O)Nc1cc(C)ccc1C#CCO ZINC000164197774 186152006 /nfs/dbraw/zinc/15/20/06/186152006.db2.gz ZBXCXMFBWAJZGG-UHFFFAOYSA-N 0 0 301.371 2.005 10 30 DEEERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NCCCCC#N)CC1 ZINC000171448864 186162020 /nfs/dbraw/zinc/16/20/20/186162020.db2.gz MKRPBMGYAFTIDR-AWEZNQCLSA-N 0 0 322.453 2.263 10 30 DEEERN CO[C@H](C)c1cccc(NC(=O)C(=O)NCCCCC#N)c1 ZINC000171474075 186165966 /nfs/dbraw/zinc/16/59/66/186165966.db2.gz ORORSODSTNLQGF-GFCCVEGCSA-N 0 0 303.362 2.143 10 30 DEEERN Cc1nc(C(F)(F)F)c(Cn2c(N)nc(C#N)c2C#N)s1 ZINC000183870280 186225551 /nfs/dbraw/zinc/22/55/51/186225551.db2.gz ULPHGWMRCMENDX-UHFFFAOYSA-N 0 0 312.280 2.041 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)NC)nc1 ZINC000617040685 363006828 /nfs/dbraw/zinc/00/68/28/363006828.db2.gz XNWPXHGIUFRZEZ-TZMCWYRMSA-N 0 0 301.390 2.306 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cnc2n(c1=O)CCS2 ZINC000617036824 363006999 /nfs/dbraw/zinc/00/69/99/363006999.db2.gz FPHFUNHUNGAZSJ-DGCLKSJQSA-N 0 0 319.430 2.214 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000617044157 363007591 /nfs/dbraw/zinc/00/75/91/363007591.db2.gz JDOIOHRQKGZCOP-ZNMIVQPWSA-N 0 0 313.463 2.452 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cn(C2CCOCC2)nn1 ZINC000617044503 363008024 /nfs/dbraw/zinc/00/80/24/363008024.db2.gz OUDKWFVDUPMCLB-HIFRSBDPSA-N 0 0 318.421 2.494 10 30 DEEERN C#Cc1ccc(CNC(=O)c2[nH]nc(CCC)c2[N+](=O)[O-])cc1 ZINC000295386080 186685295 /nfs/dbraw/zinc/68/52/95/186685295.db2.gz HHFMWPYEPSZKHG-UHFFFAOYSA-N 0 0 312.329 2.182 10 30 DEEERN C=CCOc1ccc(C(=O)NC[C@H](OC)[C@H]2CCOC2)cc1 ZINC000617147302 363037808 /nfs/dbraw/zinc/03/78/08/363037808.db2.gz COCRIICELCFEGU-HOCLYGCPSA-N 0 0 305.374 2.033 10 30 DEEERN C=CC[C@@H](C(=O)N1CC[C@H](Cn2ccnn2)C1)c1ccccc1 ZINC000617257413 363066599 /nfs/dbraw/zinc/06/65/99/363066599.db2.gz QYFSLDXHTOARND-DOTOQJQBSA-N 0 0 310.401 2.487 10 30 DEEERN C=C[C@@H](CC(=O)N1CC[C@@H](Cn2ccnn2)C1)c1ccccc1 ZINC000617258457 363068175 /nfs/dbraw/zinc/06/81/75/363068175.db2.gz JAVJRSYHJITMDJ-CVEARBPZSA-N 0 0 310.401 2.487 10 30 DEEERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000328918546 539911738 /nfs/dbraw/zinc/91/17/38/539911738.db2.gz AIAWUWDPNICVIZ-LJISPDSOSA-N 0 0 321.421 2.488 10 30 DEEERN Cc1ccc([C@@H](C)NC(=O)N2C[C@@H]3COC[C@H](C2)O3)cc1C ZINC000328661249 539909391 /nfs/dbraw/zinc/90/93/91/539909391.db2.gz ACTOKKKMDQQOGF-BMFZPTHFSA-N 0 0 304.390 2.378 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000330322955 539937649 /nfs/dbraw/zinc/93/76/49/539937649.db2.gz HFQRWTHKZKTDLI-MYZSUADSSA-N 0 0 307.394 2.005 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc3c(c2)NC(=O)CO3)C1 ZINC000626233533 366117775 /nfs/dbraw/zinc/11/77/75/366117775.db2.gz ZCAFBBBGGRVCCK-LLVKDONJSA-N 0 0 301.346 2.447 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NC(C)(C)CC)cc2C1=O ZINC000007345882 354001800 /nfs/dbraw/zinc/00/18/00/354001800.db2.gz XGHDBOMYMWKEDV-UHFFFAOYSA-N 0 0 300.358 2.387 10 30 DEEERN C=CCNC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000047605885 354323962 /nfs/dbraw/zinc/32/39/62/354323962.db2.gz AVMWOJCIJGSWMD-UHFFFAOYSA-N 0 0 315.417 2.095 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C1 ZINC000626443070 366188823 /nfs/dbraw/zinc/18/88/23/366188823.db2.gz KTXBWWUMGKDETA-GFCCVEGCSA-N 0 0 320.414 2.446 10 30 DEEERN CCN(CC)C(=O)C1CCN(c2nnc(C)c(C)c2C#N)CC1 ZINC000058544523 354594070 /nfs/dbraw/zinc/59/40/70/354594070.db2.gz NDKNKTHRCDGJPG-UHFFFAOYSA-N 0 0 315.421 2.050 10 30 DEEERN C=CCCc1ccccc1NC(=O)NC[C@H]1COCCN1C ZINC000626555367 366226380 /nfs/dbraw/zinc/22/63/80/366226380.db2.gz WWNFGMXCTAPJHO-HNNXBMFYSA-N 0 0 303.406 2.257 10 30 DEEERN C=C(C)COCCNC(=O)NCc1ccc(C(=O)OC)cc1F ZINC000595567694 358488106 /nfs/dbraw/zinc/48/81/06/358488106.db2.gz MJHCDTSOYIRCNZ-UHFFFAOYSA-N 0 0 324.352 2.004 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)COc1c(F)cccc1F ZINC000618169288 363402869 /nfs/dbraw/zinc/40/28/69/363402869.db2.gz OZZVQRAJHJUMMJ-GYSYKLTISA-N 0 0 311.328 2.439 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCn1cccn1 ZINC000068792525 354833364 /nfs/dbraw/zinc/83/33/64/354833364.db2.gz YMNNNGXKYLKYGU-UHFFFAOYSA-N 0 0 314.345 2.396 10 30 DEEERN N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2cc(C#N)ccn2)cc1 ZINC000618137462 363391768 /nfs/dbraw/zinc/39/17/68/363391768.db2.gz ULTZNVYKQJOKJP-MRXNPFEDSA-N 0 0 317.352 2.432 10 30 DEEERN N#CC1CCN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000057873718 283050553 /nfs/dbraw/zinc/05/05/53/283050553.db2.gz OYAYITRMSBRLKJ-GFCCVEGCSA-N 0 0 303.328 2.023 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)on2)CCN1C1CC1 ZINC000370970716 283059844 /nfs/dbraw/zinc/05/98/44/283059844.db2.gz ZDPAIEXXWVVFJL-OAHLLOKOSA-N 0 0 322.368 2.154 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CC[C@H](C(F)(F)F)C2)C1=O ZINC000355672628 540083549 /nfs/dbraw/zinc/08/35/49/540083549.db2.gz YGBXUPGADSUTGQ-SRVKXCTJSA-N 0 0 318.339 2.210 10 30 DEEERN N#Cc1cc(Br)ccc1N1CCO[C@]2(CCOC2)C1 ZINC000274403619 283087335 /nfs/dbraw/zinc/08/73/35/283087335.db2.gz NDTPPDRBFCMTBX-CQSZACIVSA-N 0 0 323.190 2.316 10 30 DEEERN CS/C(=N/C#N)N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000073736709 191349726 /nfs/dbraw/zinc/34/97/26/191349726.db2.gz JDFVDQVYKYPEDH-SFQUDFHCSA-N 0 0 312.439 2.423 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)Cc1nc([C@@H](C)OC)no1 ZINC000081561996 355437990 /nfs/dbraw/zinc/43/79/90/355437990.db2.gz JYQXROYMZIGCSU-CHWSQXEVSA-N 0 0 324.425 2.022 10 30 DEEERN N#CCN1CCc2nc(NC(=O)NC3CCCC3)sc2C1 ZINC000077145887 191662048 /nfs/dbraw/zinc/66/20/48/191662048.db2.gz BSWYPJMDBIPGGV-UHFFFAOYSA-N 0 0 305.407 2.089 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000618294081 363453258 /nfs/dbraw/zinc/45/32/58/363453258.db2.gz HBOKPWIUEUHNQT-KRWDZBQOSA-N 0 0 302.374 2.024 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NCCCC3CC3)cc2C1=O ZINC000127954973 355825690 /nfs/dbraw/zinc/82/56/90/355825690.db2.gz HFINZEWZCXGXFP-UHFFFAOYSA-N 0 0 312.369 2.389 10 30 DEEERN C[C@H](NS(=O)(=O)CC(C)(C)C)c1ccc(C#CCO)cc1 ZINC000080192640 192011516 /nfs/dbraw/zinc/01/15/16/192011516.db2.gz BQJUDCQMYAKRNJ-ZDUSSCGKSA-N 0 0 309.431 2.057 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@@H]1CCCc2cc(OC)ccc21 ZINC000184200665 356187475 /nfs/dbraw/zinc/18/74/75/356187475.db2.gz ZFDYCDZYQUQKBR-LSDHHAIUSA-N 0 0 318.417 2.351 10 30 DEEERN C=C[C@H](CC(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1)c1ccccc1 ZINC000618324243 363460155 /nfs/dbraw/zinc/46/01/55/363460155.db2.gz SHNJVFHBOMJQOB-LZWOXQAQSA-N 0 0 321.442 2.428 10 30 DEEERN CCOC(=O)[C@H](C)[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000184821734 356198027 /nfs/dbraw/zinc/19/80/27/356198027.db2.gz KWDOHOSLFQDSPJ-FRRDWIJNSA-N 0 0 318.373 2.029 10 30 DEEERN CC(=O)N1CCc2cc(NC(=O)c3cc(C#N)cn3C)ccc21 ZINC000080944065 192204422 /nfs/dbraw/zinc/20/44/22/192204422.db2.gz XHVCYUCUQOYFHM-UHFFFAOYSA-N 0 0 308.341 2.058 10 30 DEEERN CCOC(=O)c1ccc(I)c(C#N)c1 ZINC000238263667 356303346 /nfs/dbraw/zinc/30/33/46/356303346.db2.gz KALKTOTXYFMZEG-UHFFFAOYSA-N 0 0 301.083 2.340 10 30 DEEERN CC(C)(C#N)Cn1nc(Br)nc1Br ZINC000307035149 356407018 /nfs/dbraw/zinc/40/70/18/356407018.db2.gz NKFCIQIEZPWQAV-UHFFFAOYSA-N 0 0 307.977 2.353 10 30 DEEERN COC(=O)c1cc(I)cc(C)c1C#N ZINC000307420306 356408730 /nfs/dbraw/zinc/40/87/30/356408730.db2.gz LWVLTLXHUFKPFP-UHFFFAOYSA-N 0 0 301.083 2.258 10 30 DEEERN N#Cc1cnc(NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)cn1 ZINC000328628356 356464108 /nfs/dbraw/zinc/46/41/08/356464108.db2.gz NQZSZNINYHGPMB-VIFPVBQESA-N 0 0 322.294 2.238 10 30 DEEERN C=CCNC(=O)Cc1noc(-c2sc([C@H](C)OC)nc2C)n1 ZINC000350700423 356560177 /nfs/dbraw/zinc/56/01/77/356560177.db2.gz FEEGNXBVTULHML-VIFPVBQESA-N 0 0 322.390 2.054 10 30 DEEERN C=CCN(C1CCCC1)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1 ZINC000081676424 192311782 /nfs/dbraw/zinc/31/17/82/192311782.db2.gz XFLPFMXKEAJIRO-UHFFFAOYSA-N 0 0 316.810 2.148 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000618417099 363488370 /nfs/dbraw/zinc/48/83/70/363488370.db2.gz JDCOZBIEHIPTOT-XIRDDKMYSA-N 0 0 316.401 2.184 10 30 DEEERN C=CCOCCCNC(=O)[C@@H](NC(=O)c1cccs1)C(C)C ZINC000618518157 363513753 /nfs/dbraw/zinc/51/37/53/363513753.db2.gz ZZFLVBKOJLYMEN-AWEZNQCLSA-N 0 0 324.446 2.211 10 30 DEEERN C=CCOCCCNC(=O)c1cnn(-c2ccccn2)c1CC ZINC000618520371 363514357 /nfs/dbraw/zinc/51/43/57/363514357.db2.gz BIJXFESXRYSGQO-UHFFFAOYSA-N 0 0 314.389 2.152 10 30 DEEERN C=CCOCCCNC(=O)c1cc(C)nc(C(F)(F)F)n1 ZINC000618525832 363515576 /nfs/dbraw/zinc/51/55/76/363515576.db2.gz HSIFWHXKCQOZCB-UHFFFAOYSA-N 0 0 303.284 2.126 10 30 DEEERN C=CCOCCCNC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1 ZINC000618526245 363516746 /nfs/dbraw/zinc/51/67/46/363516746.db2.gz OGFIITCXKRHHME-UHFFFAOYSA-N 0 0 315.373 2.408 10 30 DEEERN CC(C)c1ccc([C@@H](C#N)C(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000086024587 192545544 /nfs/dbraw/zinc/54/55/44/192545544.db2.gz LHFPBNDUAUQYIK-HUUCEWRRSA-N 0 0 305.399 2.421 10 30 DEEERN CC[C@H]1[C@H](CO)CCN1c1ncc(Br)cc1C#N ZINC000386250919 356695354 /nfs/dbraw/zinc/69/53/54/356695354.db2.gz JCSMDCVYGITUGU-CABZTGNLSA-N 0 0 310.195 2.313 10 30 DEEERN C=CCn1c(N(C)Cc2ccon2)nnc1[C@]1(C)CCCO1 ZINC000578153379 356771193 /nfs/dbraw/zinc/77/11/93/356771193.db2.gz QBJOBQQRAXKBDB-HNNXBMFYSA-N 0 0 303.366 2.114 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC000578642254 356849976 /nfs/dbraw/zinc/84/99/76/356849976.db2.gz YDQKJSJODFTTIN-LRDDRELGSA-N 0 0 314.389 2.126 10 30 DEEERN C=C(C)Cn1c(N2CCC(OC)CC2)nnc1[C@]1(C)CCCO1 ZINC000578717046 356859298 /nfs/dbraw/zinc/85/92/98/356859298.db2.gz LPXMZIXDHOMZED-KRWDZBQOSA-N 0 0 320.437 2.495 10 30 DEEERN C=CCn1cc(CNC(=O)N2CCC(C)(C3CC3)CC2)nn1 ZINC000579346850 356960591 /nfs/dbraw/zinc/96/05/91/356960591.db2.gz ULRJRZQCTQFFTR-UHFFFAOYSA-N 0 0 303.410 2.186 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000580901264 357099449 /nfs/dbraw/zinc/09/94/49/357099449.db2.gz OMUNOJLGTREAOJ-UHFFFAOYSA-N 0 0 316.405 2.230 10 30 DEEERN C=CCOc1ccc(CC(=O)N2C[C@H]3COC[C@@]3(C)C2)cc1 ZINC000618699360 363575873 /nfs/dbraw/zinc/57/58/73/363575873.db2.gz MGIGIIHTMNDUML-MAUKXSAKSA-N 0 0 301.386 2.289 10 30 DEEERN CC(C)(C)OC(=O)N1[C@@H](c2cccc(C#N)c2)COS1(=O)=O ZINC000584643510 357290504 /nfs/dbraw/zinc/29/05/04/357290504.db2.gz GTDPJMSCEMSOIF-GFCCVEGCSA-N 0 0 324.358 2.111 10 30 DEEERN C[C@@H](N(C)C(=O)C(=O)NCc1ccc(C#N)cc1F)C(C)(C)C ZINC000586863045 357378014 /nfs/dbraw/zinc/37/80/14/357378014.db2.gz IINPOMUGDAHWEJ-LLVKDONJSA-N 0 0 319.380 2.207 10 30 DEEERN N#Cc1ccc(CN[C@H](c2nc[nH]n2)c2cccnc2)c(F)c1 ZINC000585726042 357348788 /nfs/dbraw/zinc/34/87/88/357348788.db2.gz VBFKSZHAIDIBLH-HNNXBMFYSA-N 0 0 308.320 2.090 10 30 DEEERN C[C@@H](Nc1c(F)cc(C#N)cc1F)C1(S(C)(=O)=O)CC1 ZINC000588072633 357392105 /nfs/dbraw/zinc/39/21/05/357392105.db2.gz XWRQOZGCZLASMG-MRVPVSSYSA-N 0 0 300.330 2.214 10 30 DEEERN Cc1nc([C@](C)(NC(=O)c2cc(C#N)cs2)C2CC2)no1 ZINC000590495278 357551686 /nfs/dbraw/zinc/55/16/86/357551686.db2.gz LWIVZMYZIXFOAS-CQSZACIVSA-N 0 0 302.359 2.366 10 30 DEEERN CN(C)C(=O)C[C@]1(O)CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000591617675 357743790 /nfs/dbraw/zinc/74/37/90/357743790.db2.gz HMZJHOROYUQJCA-MRXNPFEDSA-N 0 0 321.808 2.021 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@H](C)C#N ZINC000591649794 357748056 /nfs/dbraw/zinc/74/80/56/357748056.db2.gz OPDLLEKSRHPXIY-KGLIPLIRSA-N 0 0 303.410 2.344 10 30 DEEERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)CCc2ccc(C#N)cc2)C1 ZINC000591682609 357750696 /nfs/dbraw/zinc/75/06/96/357750696.db2.gz LBYRQQJHIIMXCP-CVEARBPZSA-N 0 0 324.384 2.203 10 30 DEEERN C=CCSCCNC(=O)C(=O)N1CCCC[C@H]1C1CCC1 ZINC000592331887 357862777 /nfs/dbraw/zinc/86/27/77/357862777.db2.gz BWKAMOQPULQGAO-AWEZNQCLSA-N 0 0 310.463 2.203 10 30 DEEERN C=CCn1cc(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)nn1 ZINC000592604048 357909846 /nfs/dbraw/zinc/90/98/46/357909846.db2.gz ZCKSGNSKFCMFKA-CYBMUJFWSA-N 0 0 315.333 2.253 10 30 DEEERN CC[C@H]1CN(C(=O)Cc2ccc(C#N)cc2)CCN1CC(F)F ZINC000179405272 199030048 /nfs/dbraw/zinc/03/00/48/199030048.db2.gz LOPFIUYQMDWHPU-HNNXBMFYSA-N 0 0 321.371 2.289 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)NC1(CC(=O)OC(C)(C)C)CCC1 ZINC000593810888 358150877 /nfs/dbraw/zinc/15/08/77/358150877.db2.gz UIDJKPLVWSLZGU-OLZOCXBDSA-N 0 0 309.406 2.348 10 30 DEEERN C=CCCn1cc(C[S@](=O)CCc2scnc2C)nn1 ZINC000593938614 358175095 /nfs/dbraw/zinc/17/50/95/358175095.db2.gz NTOYHXXNYSFUGE-HXUWFJFHSA-N 0 0 310.448 2.111 10 30 DEEERN C=CCCn1cc(C[S@@](=O)Cc2sc(C)nc2C)nn1 ZINC000593936754 358175121 /nfs/dbraw/zinc/17/51/21/358175121.db2.gz ZSOCMHMTKKVWKC-HXUWFJFHSA-N 0 0 310.448 2.376 10 30 DEEERN Cn1c(=O)ccc2ccc(NC(=O)N3CC[C@](F)(C#N)C3)cc21 ZINC000618774063 363600971 /nfs/dbraw/zinc/60/09/71/363600971.db2.gz IZCBPTUWULQOBE-INIZCTEOSA-N 0 0 314.320 2.008 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000594474091 358279177 /nfs/dbraw/zinc/27/91/77/358279177.db2.gz GDHKSAJEJAFKEL-UHFFFAOYSA-N 0 0 315.391 2.399 10 30 DEEERN C=C[C@](C)(O)CC(=O)N[C@@H](C(=O)OCC)C1CCCCCC1 ZINC000594407636 358259447 /nfs/dbraw/zinc/25/94/47/358259447.db2.gz CZRPMDOEPZJMDK-WBVHZDCISA-N 0 0 311.422 2.332 10 30 DEEERN C=CCCSCCNC(=O)N1CC(CO)(c2ccccc2)C1 ZINC000596715368 358745023 /nfs/dbraw/zinc/74/50/23/358745023.db2.gz FCIJWQIBMSHESN-UHFFFAOYSA-N 0 0 320.458 2.251 10 30 DEEERN CC(=O)N1CCc2cc(NC(=O)N3CC[C@@](C)(C#N)C3)ccc21 ZINC000596657024 358734649 /nfs/dbraw/zinc/73/46/49/358734649.db2.gz MCACMSFFACJCLW-KRWDZBQOSA-N 0 0 312.373 2.363 10 30 DEEERN CC(=O)N(C)c1ccccc1NC(=O)CC1(C#N)CCOCC1 ZINC000597269175 358874302 /nfs/dbraw/zinc/87/43/02/358874302.db2.gz QVLUHEMVNXLGTR-UHFFFAOYSA-N 0 0 315.373 2.318 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C)c(C(=O)OC)c1 ZINC000597332709 358890863 /nfs/dbraw/zinc/89/08/63/358890863.db2.gz HENALMGAJPUNED-OAHLLOKOSA-N 0 0 318.373 2.191 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)C(=O)NCC2(C#N)CCCCC2)C1 ZINC000597398147 358909129 /nfs/dbraw/zinc/90/91/29/358909129.db2.gz ILDCDVGHSFEOLY-OAHLLOKOSA-N 0 0 317.433 2.391 10 30 DEEERN C=CCN(C(=O)[C@H](C)Oc1ccccc1C#N)[C@@H](C)COC ZINC000597951837 359050643 /nfs/dbraw/zinc/05/06/43/359050643.db2.gz LKWMAYZWUDAZBV-KBPBESRZSA-N 0 0 302.374 2.375 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CCC(CSC)CC1 ZINC000597718067 358987522 /nfs/dbraw/zinc/98/75/22/358987522.db2.gz VMBYYLBRXRQPLC-YMAMQOFZSA-N 0 0 312.479 2.495 10 30 DEEERN C=CCCSCCNC(=O)c1[nH]c(C)c(C(N)=O)c1CC ZINC000597968831 359054022 /nfs/dbraw/zinc/05/40/22/359054022.db2.gz MUOHKBTYAVWQQZ-UHFFFAOYSA-N 0 0 309.435 2.024 10 30 DEEERN C=C[C@](C)(O)CC(=O)NC[C@@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000598581567 359248688 /nfs/dbraw/zinc/24/86/88/359248688.db2.gz RCMMLOGQMSTYAJ-DYVFJYSZSA-N 0 0 311.422 2.188 10 30 DEEERN COc1ccc(NC(=O)NC[C@@H](C)C#N)c(C(F)(F)F)n1 ZINC000618905191 363631777 /nfs/dbraw/zinc/63/17/77/363631777.db2.gz ZHBJVDQOJCZZQF-ZETCQYMHSA-N 0 0 302.256 2.390 10 30 DEEERN C=CCCCCCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598631757 359267616 /nfs/dbraw/zinc/26/76/16/359267616.db2.gz VGZKRTJYXGANJY-UHFFFAOYSA-N 0 0 321.381 2.380 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C#N)c1ccc(CC)cc1 ZINC000598838350 359340663 /nfs/dbraw/zinc/34/06/63/359340663.db2.gz JSWKGSZRDMDIDK-IRXDYDNUSA-N 0 0 313.401 2.401 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000599373757 359481643 /nfs/dbraw/zinc/48/16/43/359481643.db2.gz DAXRSSMUFPVJNF-LBPRGKRZSA-N 0 0 310.375 2.490 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000599373749 359481664 /nfs/dbraw/zinc/48/16/64/359481664.db2.gz CYGHCWFEJGVTKM-LBPRGKRZSA-N 0 0 310.375 2.490 10 30 DEEERN O=C(C#Cc1ccccc1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187585288 200131470 /nfs/dbraw/zinc/13/14/70/200131470.db2.gz NZLMQTSODXPMOP-IRXDYDNUSA-N 0 0 311.406 2.334 10 30 DEEERN C=CCCO[C@H](C)C(=O)NC[C@@H](C(=O)OC)C1CCCCC1 ZINC000600414516 359736751 /nfs/dbraw/zinc/73/67/51/359736751.db2.gz MUGJAHLICSHLAX-UKRRQHHQSA-N 0 0 311.422 2.453 10 30 DEEERN N#Cc1ccnc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)c1 ZINC000436004133 237708059 /nfs/dbraw/zinc/70/80/59/237708059.db2.gz JAKUKKNQCXOYIV-UHFFFAOYSA-N 0 0 306.325 2.098 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2nc(CC)c(C)s2)C1 ZINC000627733119 366603406 /nfs/dbraw/zinc/60/34/06/366603406.db2.gz LVBVXEDHKMZSPE-LLVKDONJSA-N 0 0 307.419 2.377 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000627736103 366604423 /nfs/dbraw/zinc/60/44/23/366604423.db2.gz NFRLUAALMFPETR-SECBINFHSA-N 0 0 312.291 2.467 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)N2CCc3c2cccc3F)C1 ZINC000627734208 366604581 /nfs/dbraw/zinc/60/45/81/366604581.db2.gz MVFKDXZNIVMCAJ-LBPRGKRZSA-N 0 0 302.349 2.139 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(COC)c2)C1 ZINC000627736370 366605013 /nfs/dbraw/zinc/60/50/13/366605013.db2.gz WEZVPTNCDIOIFN-CYBMUJFWSA-N 0 0 302.374 2.196 10 30 DEEERN C=CCC[C@H](NC(=O)c1cccc2c1C(=O)CC2)C(=O)OCC ZINC000601619649 360090217 /nfs/dbraw/zinc/09/02/17/360090217.db2.gz FRLPDTHRSSHJHQ-AWEZNQCLSA-N 0 0 315.369 2.443 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000601772161 360141334 /nfs/dbraw/zinc/14/13/34/360141334.db2.gz NNHNHEVDYAAXAK-GFCCVEGCSA-N 0 0 306.318 2.141 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(F)c(F)cc1F)C(=O)OC ZINC000601781600 360145868 /nfs/dbraw/zinc/14/58/68/360145868.db2.gz JJHKNMJEAYYNCP-LBPRGKRZSA-N 0 0 301.264 2.342 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)OCCc1ccccc1)C(=O)OC ZINC000601781660 360145876 /nfs/dbraw/zinc/14/58/76/360145876.db2.gz KTPYCWYVPOMYFL-GDBMZVCRSA-N 0 0 319.401 2.258 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCCc1nc(C)cs1)C(=O)OC ZINC000601783225 360146836 /nfs/dbraw/zinc/14/68/36/360146836.db2.gz VJEDHNKNXPOWHI-GFCCVEGCSA-N 0 0 310.419 2.398 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1)C(=O)OC ZINC000601784030 360148030 /nfs/dbraw/zinc/14/80/30/360148030.db2.gz GFTLQBDTYPBALS-RRFJBIMHSA-N 0 0 303.358 2.120 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(NC(C)=O)ccc1F)C(=O)OC ZINC000601786162 360149429 /nfs/dbraw/zinc/14/94/29/360149429.db2.gz PMLAGKVYVVLTSX-AWEZNQCLSA-N 0 0 322.336 2.022 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)C(=O)OC ZINC000601786215 360149525 /nfs/dbraw/zinc/14/95/25/360149525.db2.gz XIWMPGBCLJRXIV-BBRMVZONSA-N 0 0 314.385 2.361 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCC(=O)c1cccc(F)c1)C(=O)OC ZINC000601787700 360150599 /nfs/dbraw/zinc/15/05/99/360150599.db2.gz NDPFOAFPLPVPMK-AWEZNQCLSA-N 0 0 321.348 2.413 10 30 DEEERN C=CCC1(NC(=O)COc2cccc(C(=O)NC)c2)CCCC1 ZINC000619111361 363708507 /nfs/dbraw/zinc/70/85/07/363708507.db2.gz VGOVEGZCRXBGCV-UHFFFAOYSA-N 0 0 316.401 2.430 10 30 DEEERN C=CCC[C@@H](NC(=O)C1(c2cc(C)no2)CC1)C(=O)OCC ZINC000602159487 360292502 /nfs/dbraw/zinc/29/25/02/360292502.db2.gz HUUWPHIQQVKPFT-GFCCVEGCSA-N 0 0 306.362 2.029 10 30 DEEERN C=CCCCCCNC(=O)N1CCO[C@@](C)(C(=O)OCC)C1 ZINC000602332258 360342989 /nfs/dbraw/zinc/34/29/89/360342989.db2.gz LWEFJBPNWAYTBV-MRXNPFEDSA-N 0 0 312.410 2.096 10 30 DEEERN C[C@H](CNC(=O)NCC1CCC(C#N)CC1)Cn1cccn1 ZINC000440980000 238001480 /nfs/dbraw/zinc/00/14/80/238001480.db2.gz FPVSWBPQTFRFBC-WLYUNCDWSA-N 0 0 303.410 2.148 10 30 DEEERN C=C(C)C[C@H](NCc1cc(OC)c(OC)c(OC)c1)C(=O)OC ZINC000602731964 360524408 /nfs/dbraw/zinc/52/44/08/360524408.db2.gz MGQSLEGWCUQDGZ-ZDUSSCGKSA-N 0 0 323.389 2.310 10 30 DEEERN C[C@]12CCN(S(=O)(=O)c3ccc(C#N)cc3)C[C@H]1C2(F)F ZINC000292455009 223093352 /nfs/dbraw/zinc/09/33/52/223093352.db2.gz YJPVIUZBQVPIEX-OLZOCXBDSA-N 0 0 312.341 2.224 10 30 DEEERN C=CCOCCCNC(=O)c1cn(C)nc1-c1ccc(C)o1 ZINC000628087722 366716210 /nfs/dbraw/zinc/71/62/10/366716210.db2.gz FVDLKXFAERAKLF-UHFFFAOYSA-N 0 0 303.362 2.311 10 30 DEEERN Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C)CC3CC3)CC2)o1 ZINC000193247083 201013388 /nfs/dbraw/zinc/01/33/88/201013388.db2.gz IUASCLUIAPQELY-LLVKDONJSA-N 0 0 316.405 2.376 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)c1ccncc1 ZINC000610518525 361414861 /nfs/dbraw/zinc/41/48/61/361414861.db2.gz XSOFPPDJORKGTL-ZDUSSCGKSA-N 0 0 315.398 2.344 10 30 DEEERN C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)c1ccncc1 ZINC000610518472 361415010 /nfs/dbraw/zinc/41/50/10/361415010.db2.gz SBMVJGNJFGKMHG-GFCCVEGCSA-N 0 0 301.371 2.035 10 30 DEEERN Cc1nn(C)c2ncc(NC(=O)Cc3cccc(C#N)c3)cc12 ZINC000610519959 361415039 /nfs/dbraw/zinc/41/50/39/361415039.db2.gz PAQJJYWVZUOFGY-UHFFFAOYSA-N 0 0 305.341 2.330 10 30 DEEERN C=C(C)COCCNC(=O)Nc1cccc(C(=O)OC)c1C ZINC000610772914 361463872 /nfs/dbraw/zinc/46/38/72/361463872.db2.gz OOMUUGHFUVQUJX-UHFFFAOYSA-N 0 0 306.362 2.496 10 30 DEEERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000611088636 361526148 /nfs/dbraw/zinc/52/61/48/361526148.db2.gz AWWIGWXPDOQKCC-SJCJKPOMSA-N 0 0 311.385 2.115 10 30 DEEERN C[S@@](=O)c1ccc(CNC(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000611563442 361632460 /nfs/dbraw/zinc/63/24/60/361632460.db2.gz YQPRALTZTUQQIN-JOCHJYFZSA-N 0 0 319.430 2.259 10 30 DEEERN C=CCN(c1nnc(-c2cc[nH]n2)n1C[C@H]1CCCO1)C1CC1 ZINC000611907814 361703568 /nfs/dbraw/zinc/70/35/68/361703568.db2.gz OLQVDGAKECFWAB-CYBMUJFWSA-N 0 0 314.393 2.002 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(C)cn1 ZINC000612021203 361725646 /nfs/dbraw/zinc/72/56/46/361725646.db2.gz HPMFWFDRBAIDOU-HOCLYGCPSA-N 0 0 315.417 2.257 10 30 DEEERN Cn1cc2c(n1)CCC[C@@H]2C(=O)NCc1ccc(C#N)cc1F ZINC000619590954 363835530 /nfs/dbraw/zinc/83/55/30/363835530.db2.gz GJKAIUIKNFFWQX-ZDUSSCGKSA-N 0 0 312.348 2.167 10 30 DEEERN C=CCOC[C@H](NCc1cccc2cnccc21)C(=O)OC ZINC000619509423 363815985 /nfs/dbraw/zinc/81/59/85/363815985.db2.gz JEOJSDYEYFOJMI-INIZCTEOSA-N 0 0 300.358 2.069 10 30 DEEERN C=C[C@@H](C(=O)OC)N1CCC(CN2CCc3ccccc32)CC1 ZINC000619717920 363862867 /nfs/dbraw/zinc/86/28/67/363862867.db2.gz ZLRLNOIOWJCOTA-KRWDZBQOSA-N 0 0 314.429 2.489 10 30 DEEERN Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C)c2ccccc21 ZINC000619735820 363868577 /nfs/dbraw/zinc/86/85/77/363868577.db2.gz LTSHTLWYANZNMG-KRWDZBQOSA-N 0 0 324.363 2.416 10 30 DEEERN CC(C)[C@@H]1c2ccccc2CCN1C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000619596926 363836697 /nfs/dbraw/zinc/83/66/97/363836697.db2.gz KCTUTQWSGSMJKW-SUMWQHHRSA-N 0 0 323.400 2.493 10 30 DEEERN CC(C)C[C@@H](C#N)NC(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000619795536 363878024 /nfs/dbraw/zinc/87/80/24/363878024.db2.gz UOEHALAQTDNBDP-NSHDSACASA-N 0 0 318.377 2.100 10 30 DEEERN C=CC[C@@H](C(=O)NCC1(S(=O)(=O)CC)CC1)c1ccccc1 ZINC000620052865 363944781 /nfs/dbraw/zinc/94/47/81/363944781.db2.gz JTKUPKUAHARLCC-OAHLLOKOSA-N 0 0 321.442 2.430 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(S(C)(=O)=O)c1 ZINC000620305280 364014321 /nfs/dbraw/zinc/01/43/21/364014321.db2.gz BQMQOUJTCQWYNK-TXEJJXNPSA-N 0 0 311.428 2.475 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2cc(C)ccn2c1=O ZINC000620314956 364015157 /nfs/dbraw/zinc/01/51/57/364015157.db2.gz VXMHCQVIHAFHBP-OKILXGFUSA-N 0 0 309.369 2.326 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000620130607 363964667 /nfs/dbraw/zinc/96/46/67/363964667.db2.gz LFIKZFAVCGKMPN-CVEARBPZSA-N 0 0 301.386 2.289 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](NC(N)=O)c1ccccc1 ZINC000620314036 364013852 /nfs/dbraw/zinc/01/38/52/364013852.db2.gz PNPYUIRXHHCBAX-XHSDSOJGSA-N 0 0 313.401 2.496 10 30 DEEERN C=CCCC(C)(C)NC(=O)c1ccc(CN2CCOCC2)cn1 ZINC000620856898 364180925 /nfs/dbraw/zinc/18/09/25/364180925.db2.gz FDGMYJGKGVPWBO-UHFFFAOYSA-N 0 0 317.433 2.388 10 30 DEEERN C=CCCC(C)(C)NC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000620863998 364181000 /nfs/dbraw/zinc/18/10/00/364181000.db2.gz LLJHSYNIYYFZJI-UHFFFAOYSA-N 0 0 304.390 2.286 10 30 DEEERN C=CCCCCNC(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621508914 364431872 /nfs/dbraw/zinc/43/18/72/364431872.db2.gz ORFXAHNEOHFGJN-OAHLLOKOSA-N 0 0 322.430 2.312 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2C)C1 ZINC000628482910 366864147 /nfs/dbraw/zinc/86/41/47/366864147.db2.gz BIVUDZQIXINLQJ-ZDUSSCGKSA-N 0 0 307.415 2.437 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cc3c(ncnc3N(C)C)n2C)C1 ZINC000628488964 366865463 /nfs/dbraw/zinc/86/54/63/366865463.db2.gz LYKXXKIJZQLWKO-GFCCVEGCSA-N 0 0 313.405 2.073 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)C1 ZINC000628488438 366865539 /nfs/dbraw/zinc/86/55/39/366865539.db2.gz ZOKWUXJGGGORBX-GFCCVEGCSA-N 0 0 317.364 2.394 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)C1 ZINC000628492829 366866977 /nfs/dbraw/zinc/86/69/77/366866977.db2.gz CNMVUPCNOYSUMA-JHJVBQTASA-N 0 0 321.339 2.395 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc2ccccc2n1CC ZINC000622772962 364792747 /nfs/dbraw/zinc/79/27/47/364792747.db2.gz JGBINTNSNLOHRJ-AWEZNQCLSA-N 0 0 314.389 2.466 10 30 DEEERN C=CC(C)(C)CNC(=O)N[C@H]1c2ccccc2CN(C)C1=O ZINC000623216799 364925597 /nfs/dbraw/zinc/92/55/97/364925597.db2.gz KDRGKWLLZOJPLF-AWEZNQCLSA-N 0 0 301.390 2.211 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000623340019 364991888 /nfs/dbraw/zinc/99/18/88/364991888.db2.gz TWRNYKLZWXNTJP-UONOGXRCSA-N 0 0 302.374 2.434 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2cccnc2OCCOC)C1 ZINC000623467333 365039778 /nfs/dbraw/zinc/03/97/78/365039778.db2.gz FDNNGWOJMQEJQF-AWEZNQCLSA-N 0 0 319.405 2.214 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2ccc(C(=O)N(C)C)cc2)C1 ZINC000623450948 365034813 /nfs/dbraw/zinc/03/48/13/365034813.db2.gz DQEWDYJGHQNSAS-OAHLLOKOSA-N 0 0 315.417 2.496 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCC(=O)N(C)C2CCCCC2)C1 ZINC000623691543 365134622 /nfs/dbraw/zinc/13/46/22/365134622.db2.gz PWVBYSPVNPZXOA-CQSZACIVSA-N 0 0 307.438 2.385 10 30 DEEERN Cc1cccn2c1ncc(C(=O)Nc1ccc(F)cc1C#N)c2=O ZINC000091204214 193018398 /nfs/dbraw/zinc/01/83/98/193018398.db2.gz WMEIHKCQROCZBA-UHFFFAOYSA-N 0 0 322.299 2.266 10 30 DEEERN COc1cccc(CC(=O)N2CCC(C#N)(SC)CC2)c1 ZINC000091473561 193061114 /nfs/dbraw/zinc/06/11/14/193061114.db2.gz FQAQJDSVIAPWAC-UHFFFAOYSA-N 0 0 304.415 2.485 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCCN1C[C@H]2CCCCN2C1=O ZINC000624384293 365404986 /nfs/dbraw/zinc/40/49/86/365404986.db2.gz MCHCDOMPLIJFAR-CQSZACIVSA-N 0 0 322.453 2.178 10 30 DEEERN COc1ccc([C@H](O)[C@@]2(C#N)CCOC2)cc1Br ZINC000091879898 193121981 /nfs/dbraw/zinc/12/19/81/193121981.db2.gz NCGYIWGVSQCPFH-QWHCGFSZSA-N 0 0 312.163 2.421 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC(Cn2cncn2)CC1 ZINC000624464237 365429846 /nfs/dbraw/zinc/42/98/46/365429846.db2.gz QSMLTGGDDNRHCS-UHFFFAOYSA-N 0 0 305.426 2.302 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCN(Cc2cc(C)on2)CC1 ZINC000624468402 365431487 /nfs/dbraw/zinc/43/14/87/365431487.db2.gz JFOLZSIXAOYANT-UHFFFAOYSA-N 0 0 320.437 2.413 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2ccc(OCCOC)c(F)c2)C1=O ZINC000630504825 367694624 /nfs/dbraw/zinc/69/46/24/367694624.db2.gz LYURDTFGRVSXNS-ZDUSSCGKSA-N 0 0 322.336 2.242 10 30 DEEERN C#CCOc1ccccc1CN1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000092096731 193157070 /nfs/dbraw/zinc/15/70/70/193157070.db2.gz UCKBIRYWPBGABP-YQVWRLOYSA-N 0 0 315.413 2.467 10 30 DEEERN N#CCc1ccc(S(=O)(=O)NOCc2ccccc2)cc1 ZINC000092131025 193166025 /nfs/dbraw/zinc/16/60/25/193166025.db2.gz DKCWXVYVKRNDMR-UHFFFAOYSA-N 0 0 302.355 2.163 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H](C)O[C@@H]2C)cc1 ZINC000630787050 367845118 /nfs/dbraw/zinc/84/51/18/367845118.db2.gz YFMFPSWIUFRZKT-YWPYICTPSA-N 0 0 302.374 2.354 10 30 DEEERN C=CCN(C(=O)c1cscc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000630798081 367850104 /nfs/dbraw/zinc/85/01/04/367850104.db2.gz ZEYJSEQRLUATQB-VIFPVBQESA-N 0 0 319.835 2.217 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccccc2OCCOC)C1=O ZINC000630969579 367942929 /nfs/dbraw/zinc/94/29/29/367942929.db2.gz XBYJBDSXLPXDPD-AWEZNQCLSA-N 0 0 318.373 2.098 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCOc2ccc(F)c(F)c2)C1=O ZINC000630975151 367946433 /nfs/dbraw/zinc/94/64/33/367946433.db2.gz ZLFCBYQUXDSCIB-CYBMUJFWSA-N 0 0 310.300 2.230 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1=O ZINC000630980190 367948502 /nfs/dbraw/zinc/94/85/02/367948502.db2.gz ZHJSRCUWZCRSEU-RQJABVFESA-N 0 0 304.390 2.221 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccc(C(C)(C)C)[nH]c2=O)C1=O ZINC000630990903 367954005 /nfs/dbraw/zinc/95/40/05/367954005.db2.gz KMYIFCLKLFMWOB-LBPRGKRZSA-N 0 0 317.389 2.471 10 30 DEEERN CC[C@@H](C#N)N1CCN(C(=O)c2ccc(SC)cc2)CC1 ZINC000092213131 193173379 /nfs/dbraw/zinc/17/33/79/193173379.db2.gz ZBNYAGLLPYYBLX-AWEZNQCLSA-N 0 0 303.431 2.468 10 30 DEEERN C=C1CC(C)(C(=O)NC[C@H](CO)Cc2ccc(OC)c(O)c2)C1 ZINC000631818012 368401783 /nfs/dbraw/zinc/40/17/83/368401783.db2.gz ZKPMASFWGSIBJR-CQSZACIVSA-N 0 0 319.401 2.024 10 30 DEEERN C=C(C)COCCNC(=O)c1c(F)cncc1Br ZINC000631820323 368402403 /nfs/dbraw/zinc/40/24/03/368402403.db2.gz RHJSTJCIEOMNLP-UHFFFAOYSA-N 0 0 317.158 2.306 10 30 DEEERN C=C[C@](C)(O)CC(=O)NCc1nc(C)c(Br)s1 ZINC000452393309 244245796 /nfs/dbraw/zinc/24/57/96/244245796.db2.gz BGBDVCBXTDBAFS-NSHDSACASA-N 0 0 319.224 2.157 10 30 DEEERN O=C(NCCc1ccccc1F)c1csc(C#CCO)c1 ZINC000093973660 193332467 /nfs/dbraw/zinc/33/24/67/193332467.db2.gz UOBNXZPGSXISER-UHFFFAOYSA-N 0 0 303.358 2.204 10 30 DEEERN CC(C)(C)OC(=O)c1cccc(C(=O)N2CCO[C@@H](C#N)C2)c1 ZINC000094123162 193346210 /nfs/dbraw/zinc/34/62/10/193346210.db2.gz NSEUKRUJLFRRHW-AWEZNQCLSA-N 0 0 316.357 2.006 10 30 DEEERN CCC[C@H](COC)NC(=O)c1cc(C)c(C#CCCO)s1 ZINC000094535603 193377215 /nfs/dbraw/zinc/37/72/15/193377215.db2.gz GOUJKAKNEUMJGL-CYBMUJFWSA-N 0 0 309.431 2.335 10 30 DEEERN O=S(=O)(Cc1ccc(F)cc1)NCC#Cc1ccccc1F ZINC000096351296 193615348 /nfs/dbraw/zinc/61/53/48/193615348.db2.gz XMKACMIMRGQOBG-UHFFFAOYSA-N 0 0 321.348 2.436 10 30 DEEERN CCN(C(=O)c1ccc(C#N)cc1C)[C@H](C)CS(=O)(=O)CC ZINC000122913426 284254702 /nfs/dbraw/zinc/25/47/02/284254702.db2.gz IJRSZSDFTDOINW-CYBMUJFWSA-N 0 0 322.430 2.152 10 30 DEEERN C=CC(C)(C)CNC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000453877939 245336138 /nfs/dbraw/zinc/33/61/38/245336138.db2.gz GNHUKDUJRKSIIE-NSHDSACASA-N 0 0 304.394 2.121 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)NC[C@H]1CCC[C@@H]1O ZINC000266400976 205319299 /nfs/dbraw/zinc/31/92/99/205319299.db2.gz MFBQEYFEUMKEMH-RISCZKNCSA-N 0 0 306.337 2.120 10 30 DEEERN C[C@H](C(=O)Nc1nc2ccc(N)cc2s1)N(C)CCC#N ZINC000019996083 182175338 /nfs/dbraw/zinc/17/53/38/182175338.db2.gz FKHXCSKYNZJYCZ-SECBINFHSA-N 0 0 303.391 2.051 10 30 DEEERN CC(CN=C1NC(=NC[C@H]2CCCO2)S1)=Nc1cc(C)on1 ZINC000020353787 182210413 /nfs/dbraw/zinc/21/04/13/182210413.db2.gz QHYPPJXFIHCHQB-GXMKHXEJSA-N 0 0 321.406 2.484 10 30 DEEERN C=CCCCCCNC(=O)N(CCC)[C@H]1CCS(=O)(=O)C1 ZINC000563822430 335029723 /nfs/dbraw/zinc/02/97/23/335029723.db2.gz IVOJGUUYGUCYAI-AWEZNQCLSA-N 0 0 316.467 2.342 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000455725579 246763834 /nfs/dbraw/zinc/76/38/34/246763834.db2.gz OCFPJWZAANAVJL-ZETCQYMHSA-N 0 0 309.313 2.306 10 30 DEEERN C=CCC[C@H](CO)NC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000456752999 247397841 /nfs/dbraw/zinc/39/78/41/247397841.db2.gz DUVRZNUAUYPGIK-OAHLLOKOSA-N 0 0 307.438 2.142 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000456754580 247399218 /nfs/dbraw/zinc/39/92/18/247399218.db2.gz IPCYMKZVEBPIFB-APHBMKBZSA-N 0 0 316.401 2.338 10 30 DEEERN C=CCC[C@H](CO)NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000456774831 247414301 /nfs/dbraw/zinc/41/43/01/247414301.db2.gz JZKPDQIETOCPEK-RBSFLKMASA-N 0 0 317.385 2.005 10 30 DEEERN C=CCOC[C@@H](NC(=O)Cc1cccc(C(C)C)c1)C(=O)OC ZINC000457780693 248010284 /nfs/dbraw/zinc/01/02/84/248010284.db2.gz JPCXDAANXQXHBP-MRXNPFEDSA-N 0 0 319.401 2.213 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)NCCc1cccc(OCC)c1 ZINC000458591131 248387292 /nfs/dbraw/zinc/38/72/92/248387292.db2.gz YDQBAAPTUREWCD-HNNXBMFYSA-N 0 0 306.406 2.254 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NCCC[C@@H]1CCCC[C@H]1O ZINC000459042193 248570586 /nfs/dbraw/zinc/57/05/86/248570586.db2.gz MYGADSRREOLBDI-JJXSEGSLSA-N 0 0 310.438 2.351 10 30 DEEERN CC(=O)N1CCN([C@@H](C#N)c2cccc(Br)c2)CC1 ZINC000040630418 183111724 /nfs/dbraw/zinc/11/17/24/183111724.db2.gz DDMCYUIOPCXTJP-AWEZNQCLSA-N 0 0 322.206 2.178 10 30 DEEERN N#Cc1ccccc1NC(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000041230485 183180204 /nfs/dbraw/zinc/18/02/04/183180204.db2.gz MFXUOJFGSFSBML-LLVKDONJSA-N 0 0 311.263 2.050 10 30 DEEERN C[C@H](CN(C)C(=O)c1ccc(Cl)c(Cl)c1)/C(N)=N/O ZINC000042458761 183273116 /nfs/dbraw/zinc/27/31/16/183273116.db2.gz ZGODFBUQWUHXKY-SSDOTTSWSA-N 0 0 304.177 2.448 10 30 DEEERN CC(C)(C#N)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000109447666 194264685 /nfs/dbraw/zinc/26/46/85/194264685.db2.gz JWBLJNBMUNTOTG-UHFFFAOYSA-N 0 0 305.809 2.329 10 30 DEEERN C#CCOC[C@H]1CCCN(C(=O)c2ccc3nsnc3c2)C1 ZINC000056922927 184021891 /nfs/dbraw/zinc/02/18/91/184021891.db2.gz ICFAIGWRWJJKRK-LBPRGKRZSA-N 0 0 315.398 2.193 10 30 DEEERN C[C@H]1Cc2ccccc2N1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000059768252 184141072 /nfs/dbraw/zinc/14/10/72/184141072.db2.gz URLBVGNBBPYYJT-LBPRGKRZSA-N 0 0 305.337 2.475 10 30 DEEERN N#CC1(NC(=O)c2ccc3c(c2)NC(=O)CS3)CCCC1 ZINC000061171668 184164135 /nfs/dbraw/zinc/16/41/35/184164135.db2.gz FBSMBZLUBGPTGB-UHFFFAOYSA-N 0 0 301.371 2.297 10 30 DEEERN C[C@@H](NC(=O)c1ccc(C#CCCO)cn1)c1ccsc1 ZINC000061863263 184190451 /nfs/dbraw/zinc/19/04/51/184190451.db2.gz ZWEZRWMZOSOMRQ-GFCCVEGCSA-N 0 0 300.383 2.368 10 30 DEEERN Cn1c(Sc2ccc(C#N)c(C(F)(F)F)c2)n[nH]c1=O ZINC000061592765 184175726 /nfs/dbraw/zinc/17/57/26/184175726.db2.gz QXUKOJHUYIAHLV-UHFFFAOYSA-N 0 0 300.265 2.150 10 30 DEEERN CC(C)n1c(=O)[nH]nc1SCc1ccc(C#CCCO)s1 ZINC000061606913 184177768 /nfs/dbraw/zinc/17/77/68/184177768.db2.gz FNXBTWOPFDTADL-UHFFFAOYSA-N 0 0 323.443 2.240 10 30 DEEERN CCCN[C@@](C)(C#N)CCCCSc1n[nH]c(=O)n1CC ZINC000061607195 184178231 /nfs/dbraw/zinc/17/82/31/184178231.db2.gz HXZXXIHEGUGCAC-CQSZACIVSA-N 0 0 311.455 2.136 10 30 DEEERN C=CCN(CC(=O)N1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063381226 184281264 /nfs/dbraw/zinc/28/12/64/184281264.db2.gz AZQCUNOJHVZBRR-UHFFFAOYSA-N 0 0 303.362 2.205 10 30 DEEERN C[C@@](C#N)(CSc1ccc(S(C)(=O)=O)cc1)NC1CC1 ZINC000063131810 184272258 /nfs/dbraw/zinc/27/22/58/184272258.db2.gz OGZNEDRAWMTLLU-CQSZACIVSA-N 0 0 310.444 2.216 10 30 DEEERN CC(C)(C)CNC(=O)c1ccc(C(=O)N[C@H](C#N)C2CC2)cc1 ZINC000119729940 195027259 /nfs/dbraw/zinc/02/72/59/195027259.db2.gz DUYMPHXCXATJKZ-OAHLLOKOSA-N 0 0 313.401 2.494 10 30 DEEERN CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](C)C[C@H](C)[C@H]1C ZINC000407958624 285049624 /nfs/dbraw/zinc/04/96/24/285049624.db2.gz RCXRWRPQLBEIAU-YIYPIFLZSA-N 0 0 301.456 2.079 10 30 DEEERN C#CC[C@H](NC(=O)NCCCN1CCCC1=O)c1ccccc1 ZINC000270164851 208227738 /nfs/dbraw/zinc/22/77/38/208227738.db2.gz ZNUWKMJMAXTDLQ-INIZCTEOSA-N 0 0 313.401 2.063 10 30 DEEERN C#CC[C@H](CC)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1 ZINC000159180398 197333583 /nfs/dbraw/zinc/33/35/83/197333583.db2.gz PAYLPSKVFYJDRO-ZETCQYMHSA-N 0 0 322.795 2.390 10 30 DEEERN CC#CCCNc1cnn(CC(C)C)c(=O)c1Br ZINC000158983055 197316289 /nfs/dbraw/zinc/31/62/89/197316289.db2.gz DTQBLXHGNQUHMH-UHFFFAOYSA-N 0 0 312.211 2.487 10 30 DEEERN Cc1c(Cl)cnc(N2CCC(C(=O)N(C)C)CC2)c1C#N ZINC000272966748 210351648 /nfs/dbraw/zinc/35/16/48/210351648.db2.gz AUDATHCISKDPON-UHFFFAOYSA-N 0 0 306.797 2.220 10 30 DEEERN C=CCN(CCO)S(=O)(=O)c1cc(Cl)sc1Cl ZINC000158732489 197297266 /nfs/dbraw/zinc/29/72/66/197297266.db2.gz DCDFMBBXCAMXRU-UHFFFAOYSA-N 0 0 316.231 2.224 10 30 DEEERN CC(C)(C)[C@H]1CCN(S(=O)(=O)c2ccc(N)cc2C#N)C1 ZINC000158166114 197249820 /nfs/dbraw/zinc/24/98/20/197249820.db2.gz KKRIDGZEVISAMK-LBPRGKRZSA-N 0 0 307.419 2.197 10 30 DEEERN CC(C)Cc1ccc([C@H](O)[C@@]2(C#N)CCS(=O)(=O)C2)cc1 ZINC000157664536 197205874 /nfs/dbraw/zinc/20/58/74/197205874.db2.gz DWVOJXIPEFKXAA-JKSUJKDBSA-N 0 0 307.415 2.247 10 30 DEEERN C#CCN(CC1CC1)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000157740387 197211885 /nfs/dbraw/zinc/21/18/85/197211885.db2.gz CRQQHEIKUMMARI-UHFFFAOYSA-N 0 0 323.805 2.022 10 30 DEEERN CC(C)(C)c1ccc([C@@H](O)[C@@]2(C#N)CCS(=O)(=O)C2)cc1 ZINC000157639812 197203869 /nfs/dbraw/zinc/20/38/69/197203869.db2.gz AGQGKXRZWZQANL-GDBMZVCRSA-N 0 0 307.415 2.346 10 30 DEEERN N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1cscn1 ZINC000156934838 197150699 /nfs/dbraw/zinc/15/06/99/197150699.db2.gz ADJSRASRYXRONT-UHFFFAOYSA-N 0 0 313.791 2.147 10 30 DEEERN O=C(NC1CCN(C(=O)c2cn3ccnc3s2)CC1)C1CC1 ZINC000329850504 404471132 /nfs/dbraw/zinc/47/11/32/404471132.db2.gz SJHBCEDQBYPMOR-UHFFFAOYSA-N 0 0 318.402 2.367 10 30 DEEERN N#CC1(C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)CCCC1 ZINC000156848138 197144618 /nfs/dbraw/zinc/14/46/18/197144618.db2.gz XOBFDSUKUASWGG-HNNXBMFYSA-N 0 0 317.433 2.368 10 30 DEEERN O=c1c2ccc([N+](=O)[O-])cc2ncn1CC#Cc1ccccc1 ZINC000191441265 285209827 /nfs/dbraw/zinc/20/98/27/285209827.db2.gz WZVHDDXCJNHAOJ-UHFFFAOYSA-N 0 0 305.293 2.356 10 30 DEEERN Cn1cc(CNC(=O)c2ccc(C#N)cc2)c(C(F)(F)F)n1 ZINC000156025096 197081567 /nfs/dbraw/zinc/08/15/67/197081567.db2.gz CIENBMOXULQYOW-UHFFFAOYSA-N 0 0 308.263 2.241 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000155091690 197020785 /nfs/dbraw/zinc/02/07/85/197020785.db2.gz IGYHIPRHXJVBNZ-ZDUSSCGKSA-N 0 0 304.394 2.144 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000120364019 195152486 /nfs/dbraw/zinc/15/24/86/195152486.db2.gz UGWPTTCCEWCJGW-CQSZACIVSA-N 0 0 315.291 2.391 10 30 DEEERN C=CCN(CC(=O)NC(C)(C)CC)CC(=O)NC(C)(C)CC ZINC000073787296 184934454 /nfs/dbraw/zinc/93/44/54/184934454.db2.gz HTDGDNIFYRUWHI-UHFFFAOYSA-N 0 0 311.470 2.084 10 30 DEEERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2C)C1 ZINC000121656605 195325720 /nfs/dbraw/zinc/32/57/20/195325720.db2.gz BDSXVLNHNHNTCB-OAHLLOKOSA-N 0 0 323.400 2.498 10 30 DEEERN C[C@]1(CNC(=O)c2ccc(F)cc2C#CCO)CCCS1 ZINC000124562166 195654336 /nfs/dbraw/zinc/65/43/36/195654336.db2.gz JCRFILHIGAPKFU-MRXNPFEDSA-N 0 0 307.390 2.185 10 30 DEEERN COC(=O)C12CCC(C(=O)N[C@@H]3CCC[C@H]3C#N)(CC1)CC2 ZINC000408020372 533262698 /nfs/dbraw/zinc/26/26/98/533262698.db2.gz HMYXVDZBGAWHCP-IQFARLITSA-N 0 0 304.390 2.308 10 30 DEEERN COc1cccc(CCNC(=O)NCc2ccc(C#N)cc2)n1 ZINC000441252991 533462191 /nfs/dbraw/zinc/46/21/91/533462191.db2.gz KNYTXCYESNAFBG-UHFFFAOYSA-N 0 0 310.357 2.004 10 30 DEEERN C[C@H](CC#N)N(C)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181986094 533604959 /nfs/dbraw/zinc/60/49/59/533604959.db2.gz HYLLHFYDIGYQPE-MRVPVSSYSA-N 0 0 307.297 2.023 10 30 DEEERN N#Cc1cnccc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000545947833 285461105 /nfs/dbraw/zinc/46/11/05/285461105.db2.gz BGNJGADXDYUTQW-UHFFFAOYSA-N 0 0 309.329 2.188 10 30 DEEERN C=CCCCNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000350839609 404479831 /nfs/dbraw/zinc/47/98/31/404479831.db2.gz ZSABRBXGYNNGJQ-GDBMZVCRSA-N 0 0 315.417 2.441 10 30 DEEERN CCC[C@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)CCO1 ZINC000089469177 144590373 /nfs/dbraw/zinc/59/03/73/144590373.db2.gz POFXFFJKSUUENI-HIFRSBDPSA-N 0 0 302.374 2.353 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125455883 144722377 /nfs/dbraw/zinc/72/23/77/144722377.db2.gz GYQHZVVYFWKQRB-CYBMUJFWSA-N 0 0 324.384 2.455 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000170680791 144805553 /nfs/dbraw/zinc/80/55/53/144805553.db2.gz YTFPWYFQSFMQIK-DZGCQCFKSA-N 0 0 324.384 2.455 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)NCc2ccccc2)cn1 ZINC000185898116 144970133 /nfs/dbraw/zinc/97/01/33/144970133.db2.gz RGDMZKRRIIIWOS-UHFFFAOYSA-N 0 0 318.340 2.461 10 30 DEEERN CCO[C@@H]1C[C@@H](NC(=O)c2cc(C#N)cs2)C12CCOCC2 ZINC000187035405 144993502 /nfs/dbraw/zinc/99/35/02/144993502.db2.gz YIOZHVWGUONMSM-ZIAGYGMSSA-N 0 0 320.414 2.324 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)Nc2ccc(O)cc2)cn1 ZINC000190287552 145039941 /nfs/dbraw/zinc/03/99/41/145039941.db2.gz AGEJGXUXBLEJGC-UHFFFAOYSA-N 0 0 320.312 2.489 10 30 DEEERN N#Cc1ccc(C[S@@](=O)Cc2cccc(C(N)=O)c2)cc1F ZINC000190768138 145047618 /nfs/dbraw/zinc/04/76/18/145047618.db2.gz YLKDONIZUBDETB-QFIPXVFZSA-N 0 0 316.357 2.245 10 30 DEEERN COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(C#N)c1 ZINC000192595461 145075666 /nfs/dbraw/zinc/07/56/66/145075666.db2.gz MGTQLXYKLVXDPR-UHFFFAOYSA-N 0 0 320.352 2.114 10 30 DEEERN Cc1nc(-c2cccc(NC(=O)c3ccnc(C#N)c3)c2)n[nH]1 ZINC000192805304 145079569 /nfs/dbraw/zinc/07/95/69/145079569.db2.gz LMJKNIAXAJNLOQ-UHFFFAOYSA-N 0 0 304.313 2.299 10 30 DEEERN N#Cc1cc(C(=O)Nc2cncc(Br)c2)ccn1 ZINC000193688492 145088862 /nfs/dbraw/zinc/08/88/62/145088862.db2.gz FQRJHSGCNZVEHM-UHFFFAOYSA-N 0 0 303.119 2.363 10 30 DEEERN Cc1cccc(S(=O)(=O)N2CC[C@@H]3OCCC[C@H]3C2)c1C#N ZINC000246299279 145097948 /nfs/dbraw/zinc/09/79/48/145097948.db2.gz PNMHEEPJHITGCM-ZFWWWQNUSA-N 0 0 320.414 2.056 10 30 DEEERN N#Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000246506342 145105084 /nfs/dbraw/zinc/10/50/84/145105084.db2.gz SLPSMEQISQDHNR-KGLIPLIRSA-N 0 0 324.377 2.029 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCOc1cccc(C#N)c1 ZINC000248864857 145170946 /nfs/dbraw/zinc/17/09/46/145170946.db2.gz SSPZVIHMBDDBQI-UAGQMJEPSA-N 0 0 314.385 2.211 10 30 DEEERN Cc1ccc(Cl)cc1N(C)C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000359281435 147298469 /nfs/dbraw/zinc/29/84/69/147298469.db2.gz CRTZLNFUYUWDCI-SNVBAGLBSA-N 0 0 303.753 2.336 10 30 DEEERN N#Cc1nccnc1N1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000361828219 147594733 /nfs/dbraw/zinc/59/47/33/147594733.db2.gz FPNSSYISRMUCOQ-INIZCTEOSA-N 0 0 302.341 2.154 10 30 DEEERN Cc1cc(C#N)nc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1 ZINC000367464063 147760054 /nfs/dbraw/zinc/76/00/54/147760054.db2.gz IGEWAYBIUZRIDW-AWEZNQCLSA-N 0 0 321.384 2.146 10 30 DEEERN COCC1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 ZINC000074736687 401744387 /nfs/dbraw/zinc/74/43/87/401744387.db2.gz RKFYELAEBSEJIW-UHFFFAOYSA-N 0 0 317.389 2.005 10 30 DEEERN C=C(C)COc1cccc(NC(=O)N[C@H](C)Cn2cncn2)c1 ZINC000112424343 401744872 /nfs/dbraw/zinc/74/48/72/401744872.db2.gz CBMNGAKPFNYQGD-CYBMUJFWSA-N 0 0 315.377 2.443 10 30 DEEERN C[C@@H]1CCc2c(sc3ncnc(-n4ncc(C#N)c4N)c23)C1 ZINC000008534418 401754184 /nfs/dbraw/zinc/75/41/84/401754184.db2.gz OQBXKXHYYYXYIT-MRVPVSSYSA-N 0 0 310.386 2.456 10 30 DEEERN COc1cccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1O ZINC000130327316 401827542 /nfs/dbraw/zinc/82/75/42/401827542.db2.gz YBAQQTRTGDHQRH-UHFFFAOYSA-N 0 0 324.336 2.176 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(OC)ccc1OC ZINC000077860886 401835004 /nfs/dbraw/zinc/83/50/04/401835004.db2.gz ROGGDBWSSFLWCE-UHFFFAOYSA-N 0 0 306.362 2.067 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(F)c(NC(C)=O)c1 ZINC000077862559 401835356 /nfs/dbraw/zinc/83/53/56/401835356.db2.gz JWUGEFQVWAZAON-UHFFFAOYSA-N 0 0 321.352 2.147 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(OC)ccc1OCC ZINC000077862270 401835430 /nfs/dbraw/zinc/83/54/30/401835430.db2.gz WNNGUVTYFQYLBI-UHFFFAOYSA-N 0 0 320.389 2.457 10 30 DEEERN C=C(C)CN(CC)C(=O)CS(=O)(=O)c1ccc(F)c(F)c1 ZINC000078425892 401850811 /nfs/dbraw/zinc/85/08/11/401850811.db2.gz ZCTKEUDPHSRWIE-UHFFFAOYSA-N 0 0 317.357 2.163 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cnn(CC(F)F)c1 ZINC000116843700 401861329 /nfs/dbraw/zinc/86/13/29/401861329.db2.gz BWTUHUWRHCTSPW-JTQLQIEISA-N 0 0 320.299 2.426 10 30 DEEERN C=CC[C@H](C)NC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000116861825 401861741 /nfs/dbraw/zinc/86/17/41/401861741.db2.gz FYVYFDVIEANVML-BLLLJJGKSA-N 0 0 304.390 2.343 10 30 DEEERN C=CCn1c(N)nnc1SCc1nc(C2CCCC2)no1 ZINC000119119128 401927087 /nfs/dbraw/zinc/92/70/87/401927087.db2.gz QFHSLBBDHLMUGA-UHFFFAOYSA-N 0 0 306.395 2.379 10 30 DEEERN O=C(C#Cc1ccccc1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000135233602 401931430 /nfs/dbraw/zinc/93/14/30/401931430.db2.gz HZAFQBDFGMTUFG-SFHVURJKSA-N 0 0 307.349 2.344 10 30 DEEERN CC(C)c1csc([C@@H](C#N)C(=O)c2cc(C(N)=O)cn2C)n1 ZINC000088817905 401934714 /nfs/dbraw/zinc/93/47/14/401934714.db2.gz GPMQGHKSDIFGDS-JTQLQIEISA-N 0 0 316.386 2.194 10 30 DEEERN C=CCNC(=O)NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000089099917 401935171 /nfs/dbraw/zinc/93/51/71/401935171.db2.gz CFQIEFOZBXMBEP-CYBMUJFWSA-N 0 0 319.405 2.015 10 30 DEEERN C=CCC[C@H](O)CN(C)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000036207077 401903782 /nfs/dbraw/zinc/90/37/82/401903782.db2.gz IYIDGSKHSWIMQC-LBPRGKRZSA-N 0 0 321.446 2.360 10 30 DEEERN C#Cc1cccc(N(CC)C[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000085793141 401919209 /nfs/dbraw/zinc/91/92/09/401919209.db2.gz VLEOHQVKKCJTSA-MRXNPFEDSA-N 0 0 320.458 2.166 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000134905889 401919859 /nfs/dbraw/zinc/91/98/59/401919859.db2.gz FVCPZMJDMSDLJY-NHYWBVRUSA-N 0 0 310.419 2.114 10 30 DEEERN CCOC(=O)CC[C@@H](C)NC(=O)c1c(F)cc(C#N)cc1F ZINC000089881797 401969768 /nfs/dbraw/zinc/96/97/68/401969768.db2.gz DDZAXIZRIDDNLG-SECBINFHSA-N 0 0 310.300 2.298 10 30 DEEERN N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2COCCO2)cc1 ZINC000091101590 401993641 /nfs/dbraw/zinc/99/36/41/401993641.db2.gz XVBUSRMUMGSFIR-GOSISDBHSA-N 0 0 322.364 2.257 10 30 DEEERN C=CCN(CCc1ccccc1)S(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000135549951 401944306 /nfs/dbraw/zinc/94/43/06/401944306.db2.gz RJTSGXRPPFIPKC-GDBMZVCRSA-N 0 0 309.431 2.224 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc2ncccc21 ZINC000135637039 401949037 /nfs/dbraw/zinc/94/90/37/401949037.db2.gz UNBYVQPGNNNYBH-YPMHNXCESA-N 0 0 301.371 2.205 10 30 DEEERN N#Cc1nccn1Cc1ccc(I)cc1 ZINC000094939845 402022896 /nfs/dbraw/zinc/02/28/96/402022896.db2.gz QSNPQSQBYQZMLO-UHFFFAOYSA-N 0 0 309.110 2.408 10 30 DEEERN Cc1cccc(S(=O)(=O)N2CC[C@H]3OCCC[C@@H]3C2)c1C#N ZINC000151318328 402029900 /nfs/dbraw/zinc/02/99/00/402029900.db2.gz PNMHEEPJHITGCM-UKRRQHHQSA-N 0 0 320.414 2.056 10 30 DEEERN FC(F)(F)CO/N=C\c1cccc(OCC2OCCO2)c1 ZINC000095938355 402034597 /nfs/dbraw/zinc/03/45/97/402034597.db2.gz JCGRSJIXWYERBE-IDUWFGFVSA-N 0 0 305.252 2.351 10 30 DEEERN CCCn1c(=O)[nH]nc1SCCOc1cccc(C#N)c1 ZINC000053449230 402056279 /nfs/dbraw/zinc/05/62/79/402056279.db2.gz ZUXAJJLCVGLYJH-UHFFFAOYSA-N 0 0 304.375 2.024 10 30 DEEERN N#CCN1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000152719845 402105246 /nfs/dbraw/zinc/10/52/46/402105246.db2.gz WXZAOARCMSDUMK-UHFFFAOYSA-N 0 0 313.332 2.367 10 30 DEEERN C[C@@H](NC(=O)[C@H](C)Nc1ccn(CCC#N)n1)c1ccccc1 ZINC000152773780 402108335 /nfs/dbraw/zinc/10/83/35/402108335.db2.gz YTUHFIVEAACNOP-KGLIPLIRSA-N 0 0 311.389 2.475 10 30 DEEERN COc1cc(CN(CCC#N)CCC#N)cc2c1OCCO2 ZINC000152832166 402111446 /nfs/dbraw/zinc/11/14/46/402111446.db2.gz NSFGMUMPOYHBAB-UHFFFAOYSA-N 0 0 301.346 2.096 10 30 DEEERN CCCC(=O)NCC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000063667854 402114105 /nfs/dbraw/zinc/11/41/05/402114105.db2.gz KMRDWUCWQJZDSP-UHFFFAOYSA-N 0 0 301.390 2.212 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCC1(O)CCCCC1 ZINC000153124030 402128547 /nfs/dbraw/zinc/12/85/47/402128547.db2.gz YHYHBKGLJOWDBO-CYBMUJFWSA-N 0 0 302.374 2.137 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)N[C@@H]3CCCSC3)C2)cc1 ZINC000153338475 402140199 /nfs/dbraw/zinc/14/01/99/402140199.db2.gz SUSGWARAQHYRPO-CYBMUJFWSA-N 0 0 317.414 2.226 10 30 DEEERN C#CCCN1CCN(C(=O)Cc2c[nH]c3c2cccc3CC)CC1 ZINC000068326166 402193219 /nfs/dbraw/zinc/19/32/19/402193219.db2.gz DRUFWTVEKOKQDF-UHFFFAOYSA-N 0 0 323.440 2.440 10 30 DEEERN O=C(CCc1c[nH]cn1)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000329358715 304363374 /nfs/dbraw/zinc/36/33/74/304363374.db2.gz XFZNFWYSWUURSX-OLZOCXBDSA-N 0 0 304.394 2.090 10 30 DEEERN CC(=O)[C@@H]1C[C@H](C(=O)NCCOc2ccc(C#N)cc2)C1(C)C ZINC000154519629 402216543 /nfs/dbraw/zinc/21/65/43/402216543.db2.gz HTKDENIQXCPPNT-JKSUJKDBSA-N 0 0 314.385 2.305 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)C[C@@H]1CCCOC1 ZINC000107655389 402237002 /nfs/dbraw/zinc/23/70/02/402237002.db2.gz HBWGWCVOZBXBCK-KBPBESRZSA-N 0 0 302.374 2.211 10 30 DEEERN CCN(CC1CC1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184586896 402280072 /nfs/dbraw/zinc/28/00/72/402280072.db2.gz WLHDMAZRWPSQMZ-UHFFFAOYSA-N 0 0 310.361 2.403 10 30 DEEERN C=C(C)CNC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000156385332 402281355 /nfs/dbraw/zinc/28/13/55/402281355.db2.gz DDAFRKJRWJJMAM-GFCCVEGCSA-N 0 0 313.195 2.358 10 30 DEEERN C#CCCCCNC(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000156531627 402283731 /nfs/dbraw/zinc/28/37/31/402283731.db2.gz MXYOECJHKLASIX-GFCCVEGCSA-N 0 0 320.339 2.237 10 30 DEEERN C=C(C)CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000156819824 402289137 /nfs/dbraw/zinc/28/91/37/402289137.db2.gz DELXCSJCGNUHGD-KBPBESRZSA-N 0 0 318.421 2.071 10 30 DEEERN N#C[C@@H]1CN(C(=O)NCc2cccc(-c3ccccn3)c2)CCO1 ZINC000160370832 402342917 /nfs/dbraw/zinc/34/29/17/402342917.db2.gz FIXDAZGETMIJQA-MRXNPFEDSA-N 0 0 322.368 2.183 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000185716807 402371672 /nfs/dbraw/zinc/37/16/72/402371672.db2.gz SOILDOVAMKKARI-CYBMUJFWSA-N 0 0 311.385 2.028 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1ccc(Br)c(F)c1 ZINC000185807044 402378880 /nfs/dbraw/zinc/37/88/80/402378880.db2.gz MYPZWYCFOBRQKN-JTQLQIEISA-N 0 0 316.170 2.184 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(F)cc(Br)c1 ZINC000185858161 402383482 /nfs/dbraw/zinc/38/34/82/402383482.db2.gz LJORKNASXYTSJO-NSHDSACASA-N 0 0 302.143 2.255 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCc1nncn1-c1ccccc1 ZINC000161374431 402385382 /nfs/dbraw/zinc/38/53/82/402385382.db2.gz OTFNFYUESMVNIQ-UHFFFAOYSA-N 0 0 317.352 2.377 10 30 DEEERN C=CC[C@@H](CO)NC(=O)COc1ccc(Cl)c2cccnc12 ZINC000185886896 402385699 /nfs/dbraw/zinc/38/56/99/402385699.db2.gz HIOGJGAVUFBHRX-NSHDSACASA-N 0 0 320.776 2.320 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc(OCCC(N)=O)cc1 ZINC000161723822 402397106 /nfs/dbraw/zinc/39/71/06/402397106.db2.gz BILGPUXFQKFMRA-UHFFFAOYSA-N 0 0 323.352 2.373 10 30 DEEERN N#CCC[C@@H](C#N)CN1CCC(C(=O)NCc2ccccc2)CC1 ZINC000162231747 402413663 /nfs/dbraw/zinc/41/36/63/402413663.db2.gz ACIZTSGZLRJCDY-KRWDZBQOSA-N 0 0 324.428 2.458 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000186648094 402451370 /nfs/dbraw/zinc/45/13/70/402451370.db2.gz UVRDHRYMZPSTTI-UONOGXRCSA-N 0 0 321.396 2.031 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000186568387 402442780 /nfs/dbraw/zinc/44/27/80/402442780.db2.gz DJDQODXOHDPROZ-HOTGVXAUSA-N 0 0 320.433 2.025 10 30 DEEERN CC(C)c1cccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c1 ZINC000163294471 402446470 /nfs/dbraw/zinc/44/64/70/402446470.db2.gz DNTIXVWUDILIFW-OAHLLOKOSA-N 0 0 308.403 2.113 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000185968070 402393420 /nfs/dbraw/zinc/39/34/20/402393420.db2.gz PAABTIYWSLGLHZ-HIFRSBDPSA-N 0 0 309.431 2.491 10 30 DEEERN Cn1cc([C@H]2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)cn1 ZINC000187060437 402480445 /nfs/dbraw/zinc/48/04/45/402480445.db2.gz ALEFQMXSHFWOEH-HNNXBMFYSA-N 0 0 320.396 2.339 10 30 DEEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cn1 ZINC000329910140 404491894 /nfs/dbraw/zinc/49/18/94/404491894.db2.gz VOYCPYDBPLRPQG-DGADGQDISA-N 0 0 319.405 2.412 10 30 DEEERN C[C@H](Sc1nnc(C(F)(F)F)s1)C(=O)N(C)CCC#N ZINC000187443227 402501205 /nfs/dbraw/zinc/50/12/05/402501205.db2.gz YUWSNYVWAKRKOP-LURJTMIESA-N 0 0 324.353 2.410 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(CC#Cc3ccc(F)cc3)[C@H]2C1 ZINC000246059373 402506547 /nfs/dbraw/zinc/50/65/47/402506547.db2.gz BFUZNPJMXSCFNL-FGTMMUONSA-N 0 0 303.377 2.446 10 30 DEEERN CNC(=O)[C@H](Nc1nc(C(F)(F)F)ccc1C#N)C(C)C ZINC000178842209 402545978 /nfs/dbraw/zinc/54/59/78/402545978.db2.gz CXSGWGHJJKYHJH-SNVBAGLBSA-N 0 0 300.284 2.155 10 30 DEEERN C[C@@H](NC(=O)c1ccc(C#N)cn1)c1ccc(-n2cncn2)cc1 ZINC000170968805 402545984 /nfs/dbraw/zinc/54/59/84/402545984.db2.gz GDEQXDOACNCJND-GFCCVEGCSA-N 0 0 318.340 2.025 10 30 DEEERN C=CCC[C@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)c1ccccc1 ZINC000189720274 402554468 /nfs/dbraw/zinc/55/44/68/402554468.db2.gz SSBCIRZWTQMWAY-HOCLYGCPSA-N 0 0 321.442 2.382 10 30 DEEERN Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H]2CCNC2=O)n1 ZINC000179086741 402571586 /nfs/dbraw/zinc/57/15/86/402571586.db2.gz XUAYQAUWUNCFPV-SECBINFHSA-N 0 0 301.293 2.261 10 30 DEEERN N#Cc1cc(F)c(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c(F)c1 ZINC000178684730 402526453 /nfs/dbraw/zinc/52/64/53/402526453.db2.gz JXVAXIMLBAITEP-ZBFHGGJFSA-N 0 0 314.291 2.225 10 30 DEEERN C=C(C)COc1cc(CN2CCCNC(=O)[C@@H]2C)ccc1OC ZINC000189076119 402531150 /nfs/dbraw/zinc/53/11/50/402531150.db2.gz CDYAKXWBCQLMEQ-AWEZNQCLSA-N 0 0 318.417 2.361 10 30 DEEERN C[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(N)=O ZINC000171839809 402627716 /nfs/dbraw/zinc/62/77/16/402627716.db2.gz NDYNQNSRHCXYLT-VHSXEESVSA-N 0 0 306.391 2.076 10 30 DEEERN N#Cc1c(CN2CCC[C@@H](n3cncn3)C2)cn2ccccc12 ZINC000171701757 402611779 /nfs/dbraw/zinc/61/17/79/402611779.db2.gz MVPHXWVUSNEIRK-OAHLLOKOSA-N 0 0 306.373 2.240 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000180568539 402620457 /nfs/dbraw/zinc/62/04/57/402620457.db2.gz PTPCDIQVCSBKNO-HUUCEWRRSA-N 0 0 317.437 2.489 10 30 DEEERN COc1ccc(C[C@H](C)C(=O)N[C@@H](C#N)C2CC2)cc1OC ZINC000180750631 402625044 /nfs/dbraw/zinc/62/50/44/402625044.db2.gz PYLCOVLJTQTGJZ-FZMZJTMJSA-N 0 0 302.374 2.301 10 30 DEEERN CNC(=O)[C@H](NCc1ccc(C#N)cc1Br)C(C)C ZINC000181229832 402638753 /nfs/dbraw/zinc/63/87/53/402638753.db2.gz CKGRNCQNSPVJEW-CYBMUJFWSA-N 0 0 324.222 2.181 10 30 DEEERN Cc1sc(NC(=O)CN2[C@H](C)CC(O)C[C@H]2C)c(C#N)c1C ZINC000191286268 402657561 /nfs/dbraw/zinc/65/75/61/402657561.db2.gz FSAMPOGPNQBSNJ-NXEZZACHSA-N 0 0 321.446 2.409 10 30 DEEERN C[C@H](O)CC(C)(C)CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000173795916 402712923 /nfs/dbraw/zinc/71/29/23/402712923.db2.gz SFTMXVGAWUCGLR-ZDUSSCGKSA-N 0 0 319.405 2.033 10 30 DEEERN C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)C(C)C)c1 ZINC000172581647 402663899 /nfs/dbraw/zinc/66/38/99/402663899.db2.gz MHJKNHILRKHNFN-CYBMUJFWSA-N 0 0 324.446 2.173 10 30 DEEERN C#CCCCNC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000172927516 402680219 /nfs/dbraw/zinc/68/02/19/402680219.db2.gz MLYQAJRIGRCRJU-ZDUSSCGKSA-N 0 0 316.426 2.291 10 30 DEEERN C#CCCCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000172930117 402680285 /nfs/dbraw/zinc/68/02/85/402680285.db2.gz AQQNSBHEVLMLHH-UHFFFAOYSA-N 0 0 316.376 2.208 10 30 DEEERN N#CCCCCNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000172977999 402681459 /nfs/dbraw/zinc/68/14/59/402681459.db2.gz DGMBMURGGZMYRE-ZIAGYGMSSA-N 0 0 300.358 2.371 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@H](C)COCc1ccccc1 ZINC000183192435 402746214 /nfs/dbraw/zinc/74/62/14/402746214.db2.gz QAOWXCAPOWNWMO-GOEBONIOSA-N 0 0 306.406 2.076 10 30 DEEERN C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000174767753 402756128 /nfs/dbraw/zinc/75/61/28/402756128.db2.gz CYAGTFXVFTTXSR-IUODEOHRSA-N 0 0 318.396 2.321 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@H](C)Oc1cccc(Cl)c1 ZINC000183617468 402782303 /nfs/dbraw/zinc/78/23/03/402782303.db2.gz BQZPMGOUJZDOJD-AAEUAGOBSA-N 0 0 312.797 2.344 10 30 DEEERN CCN(CC)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000193765523 402776312 /nfs/dbraw/zinc/77/63/12/402776312.db2.gz HTFOMTGIMVPQBD-UHFFFAOYSA-N 0 0 303.362 2.176 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(C(=O)NCC(C)C)cc1 ZINC000184182678 402824933 /nfs/dbraw/zinc/82/49/33/402824933.db2.gz FENUTEDCAMDOJG-HNNXBMFYSA-N 0 0 319.405 2.131 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(OCCOC)cc1C ZINC000184195881 402825991 /nfs/dbraw/zinc/82/59/91/402825991.db2.gz NQVIFVWCCXDCMB-CYBMUJFWSA-N 0 0 308.378 2.079 10 30 DEEERN Cc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1O ZINC000184280175 402832654 /nfs/dbraw/zinc/83/26/54/402832654.db2.gz BVQPWNIWSZMJCM-UHFFFAOYSA-N 0 0 319.324 2.405 10 30 DEEERN CCOC(=O)c1sc(NC(=O)c2ccnc(C#N)c2)nc1C ZINC000195277959 402839798 /nfs/dbraw/zinc/83/97/98/402839798.db2.gz ZFARRULJUWQCSB-UHFFFAOYSA-N 0 0 316.342 2.147 10 30 DEEERN Cn1nccc1C1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000195503735 402847450 /nfs/dbraw/zinc/84/74/50/402847450.db2.gz CECBGICPWPNMIG-UHFFFAOYSA-N 0 0 323.400 2.110 10 30 DEEERN C=CCSCCNC(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000176026420 402848521 /nfs/dbraw/zinc/84/85/21/402848521.db2.gz SUIHFDJQQSXOGW-GFCCVEGCSA-N 0 0 314.451 2.279 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNc1ccc(C(=O)OC)c(OC)n1 ZINC000280714163 403029354 /nfs/dbraw/zinc/02/93/54/403029354.db2.gz IAZXCOMTTKVEHT-SMDDNHRTSA-N 0 0 306.362 2.270 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000280657701 403023888 /nfs/dbraw/zinc/02/38/88/403023888.db2.gz KTEQLBAPYCPFSL-OUJBWJOFSA-N 0 0 314.307 2.196 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(-c2ncon2)cc1 ZINC000281237928 403061852 /nfs/dbraw/zinc/06/18/52/403061852.db2.gz FHWQCMRPMFVSCO-HUUCEWRRSA-N 0 0 313.357 2.448 10 30 DEEERN C#CCC(C)(C)C(=O)NC[C@@H](C(=O)OCC)c1ccccc1 ZINC000274681351 403078048 /nfs/dbraw/zinc/07/80/48/403078048.db2.gz ZXNITIXGJBAISF-OAHLLOKOSA-N 0 0 301.386 2.499 10 30 DEEERN CN(C)c1ncccc1O[C@@H]1CCN(c2ncccc2C#N)C1 ZINC000281989219 403110805 /nfs/dbraw/zinc/11/08/05/403110805.db2.gz VPKMKRXARGFXFS-CQSZACIVSA-N 0 0 309.373 2.072 10 30 DEEERN C=CCN1CC[C@H](N2CCC[C@@H]2c2noc(C(C)C)n2)C1=O ZINC000282037285 403116032 /nfs/dbraw/zinc/11/60/32/403116032.db2.gz QNTFFBQFFPUZCH-OLZOCXBDSA-N 0 0 304.394 2.117 10 30 DEEERN C#CCOc1ccccc1CN1C(=O)[C@@H]2[C@H]3CCC[C@@H]3CN2C1=O ZINC000277433437 403217153 /nfs/dbraw/zinc/21/71/53/403217153.db2.gz BOBBOHNDSIBTKL-KMFMINBZSA-N 0 0 324.380 2.261 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCC[C@H](C(N)=O)C1 ZINC000283205493 403180430 /nfs/dbraw/zinc/18/04/30/403180430.db2.gz HZIIYMDHAUWABP-AWEZNQCLSA-N 0 0 319.453 2.145 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000277679024 403244468 /nfs/dbraw/zinc/24/44/68/403244468.db2.gz MWXRDROMGSHNHU-SFHVURJKSA-N 0 0 322.408 2.303 10 30 DEEERN C=CCCCS(=O)(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000293442139 403473412 /nfs/dbraw/zinc/47/34/12/403473412.db2.gz OQYPLJNPGCKOTM-OAHLLOKOSA-N 0 0 322.430 2.020 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](CC)c1nc(C)cs1 ZINC000286485417 403532405 /nfs/dbraw/zinc/53/24/05/403532405.db2.gz JPANENNHRKAAGZ-GFCCVEGCSA-N 0 0 309.435 2.443 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCc1cccc(OCC)c1 ZINC000286765535 403544925 /nfs/dbraw/zinc/54/49/25/403544925.db2.gz HJFMVXNGXDKUQF-UHFFFAOYSA-N 0 0 318.417 2.169 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)[C@@H]1CCOC1 ZINC000286740156 403545244 /nfs/dbraw/zinc/54/52/44/403545244.db2.gz QIQCNQJUYYTHAY-DJIMGWMZSA-N 0 0 300.402 2.345 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)COc1cccc(C(=O)NC)c1 ZINC000343260925 403515269 /nfs/dbraw/zinc/51/52/69/403515269.db2.gz RFCNESSVKXJYGW-CYBMUJFWSA-N 0 0 304.390 2.286 10 30 DEEERN C#CCN(CC#C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000299330278 403556926 /nfs/dbraw/zinc/55/69/26/403556926.db2.gz PTYXBLBEXVXNND-KRWDZBQOSA-N 0 0 307.397 2.199 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)COCCOCC ZINC000346270066 403582796 /nfs/dbraw/zinc/58/27/96/403582796.db2.gz BZYCCRCBFWETCQ-UHFFFAOYSA-N 0 0 302.374 2.126 10 30 DEEERN C=CCN(CCC#N)C(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000293960139 403609912 /nfs/dbraw/zinc/60/99/12/403609912.db2.gz WBXXHXDXKSWHNT-AWEZNQCLSA-N 0 0 321.446 2.006 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)c1sc(S(N)(=O)=O)cc1C ZINC000343528245 403624286 /nfs/dbraw/zinc/62/42/86/403624286.db2.gz SFZPAINCXNOSKJ-SNVBAGLBSA-N 0 0 316.448 2.179 10 30 DEEERN Cc1cc(C)c2ncc(C#N)c(NC[C@H]3CN4CCN3CC4)c2c1 ZINC000301771608 403676502 /nfs/dbraw/zinc/67/65/02/403676502.db2.gz JTHCCBWWYAZFKB-INIZCTEOSA-N 0 0 321.428 2.135 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000287907485 403689047 /nfs/dbraw/zinc/68/90/47/403689047.db2.gz OYZFPFOJNCWCNF-SFHVURJKSA-N 0 0 323.371 2.428 10 30 DEEERN C=CC[C@@H](CO)Nc1ccc2nnc(-c3ccsc3)n2n1 ZINC000302475518 403711874 /nfs/dbraw/zinc/71/18/74/403711874.db2.gz QPZWCORHMQWSLH-NSHDSACASA-N 0 0 301.375 2.202 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@](C)(O)C1 ZINC000288077757 403720211 /nfs/dbraw/zinc/72/02/11/403720211.db2.gz GWTGSGMVVGUICX-FUHWJXTLSA-N 0 0 300.402 2.177 10 30 DEEERN C=CCOc1cccnc1C(=O)NCC[C@H](OC)C(F)(F)F ZINC000347485570 403726467 /nfs/dbraw/zinc/72/64/67/403726467.db2.gz FOSBZNDBYOIFKZ-NSHDSACASA-N 0 0 318.295 2.344 10 30 DEEERN C=CCCOCCNC(=O)N[C@H]1COc2ccc(F)cc2C1 ZINC000288245531 403743374 /nfs/dbraw/zinc/74/33/74/403743374.db2.gz GKLRUICXCXFQGJ-CQSZACIVSA-N 0 0 308.353 2.021 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCc2ccc(C(=O)OC)cc2C1 ZINC000288476434 403755727 /nfs/dbraw/zinc/75/57/27/403755727.db2.gz MYXULGXUWJYSMP-UHFFFAOYSA-N 0 0 309.365 2.021 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)NCC[C@@H]1CCOC1 ZINC000361727331 403826945 /nfs/dbraw/zinc/82/69/45/403826945.db2.gz GGRZNGDGWCYNQN-CYBMUJFWSA-N 0 0 305.374 2.416 10 30 DEEERN C#C[C@@H](NC(=O)NC[C@@H](O)c1ccccc1OC)C(C)(C)C ZINC000289095166 403831619 /nfs/dbraw/zinc/83/16/19/403831619.db2.gz GYPMZIVIMJIRGV-UKRRQHHQSA-N 0 0 304.390 2.076 10 30 DEEERN C=CCCO[C@H](C)C(=O)NCCc1cnc2c(Cl)cnn2c1 ZINC000295318661 403852257 /nfs/dbraw/zinc/85/22/57/403852257.db2.gz IGUUOAVZEURSCW-LLVKDONJSA-N 0 0 322.796 2.023 10 30 DEEERN Cc1nsc(NC(=O)N[C@H]2C[C@@H](C)n3ccnc32)c1C#N ZINC000333802666 403865891 /nfs/dbraw/zinc/86/58/91/403865891.db2.gz DPODHVXOHVFRCJ-XCBNKYQSSA-N 0 0 302.363 2.347 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N1CC[C@@H](O)C1(C)C ZINC000361871916 403906086 /nfs/dbraw/zinc/90/60/86/403906086.db2.gz OUJYFIKXWAPZJO-OAHLLOKOSA-N 0 0 316.401 2.116 10 30 DEEERN C=C[C@@H](C)NC(=O)N[C@@H](c1nccn1C)c1ccc(OC)cc1 ZINC000362370305 403948269 /nfs/dbraw/zinc/94/82/69/403948269.db2.gz KKZGRCQFVJFXPQ-IUODEOHRSA-N 0 0 314.389 2.392 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](COC)c1cccc(Cl)c1 ZINC000289501175 403981554 /nfs/dbraw/zinc/98/15/54/403981554.db2.gz ZIHCHKIFKSGBLC-ZIAGYGMSSA-N 0 0 312.797 2.264 10 30 DEEERN C[N@@H+]1CCN(c2ncc(Br)cc2C#N)CC1(C)C ZINC000310937997 403968906 /nfs/dbraw/zinc/96/89/06/403968906.db2.gz VIZUIQVOBCZRLO-UHFFFAOYSA-N 0 0 309.211 2.246 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(c3ncc(Cl)cn3)C2)n1 ZINC000328610265 404114051 /nfs/dbraw/zinc/11/40/51/404114051.db2.gz HEEVUTYJIAPENC-NSHDSACASA-N 0 0 306.757 2.386 10 30 DEEERN CCn1ccnc1CN1CC[C@@H](n2ccc(NC(C)=O)n2)C1 ZINC000328634817 404118980 /nfs/dbraw/zinc/11/89/80/404118980.db2.gz UGQDQCZROWOLTJ-CYBMUJFWSA-N 0 0 302.382 2.154 10 30 DEEERN CCOC[C@@H]1CCN(C(=O)NC[C@H]2CCCn3cc(C)nc32)C1 ZINC000328662850 404126216 /nfs/dbraw/zinc/12/62/16/404126216.db2.gz XOKWSBHQYDEVCE-HUUCEWRRSA-N 0 0 320.437 2.341 10 30 DEEERN C[C@H](NC(=O)N[C@@H]1CCCNC1=O)[C@H]1COc2ccccc21 ZINC000328812675 404155583 /nfs/dbraw/zinc/15/55/83/404155583.db2.gz FQAXKFAVGZXALV-CYZMBNFOSA-N 0 0 303.362 2.174 10 30 DEEERN C=CCCCC(=O)N1CCCN(C(=O)c2ccncc2)CC1 ZINC000363361990 404156513 /nfs/dbraw/zinc/15/65/13/404156513.db2.gz ZXXPOEMTCUYHPQ-UHFFFAOYSA-N 0 0 301.390 2.112 10 30 DEEERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCC(=O)NC1(C)C ZINC000328758966 404145475 /nfs/dbraw/zinc/14/54/75/404145475.db2.gz WIEQPLTXBMAVMB-WCQYABFASA-N 0 0 319.409 2.199 10 30 DEEERN CO[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)CC[C@H]1C ZINC000328866141 404165667 /nfs/dbraw/zinc/16/56/67/404165667.db2.gz GOVXRLXWVMHCTM-BPGGGUHBSA-N 0 0 309.410 2.155 10 30 DEEERN CCC[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc(C)nc32)CCO1 ZINC000328899054 404170526 /nfs/dbraw/zinc/17/05/26/404170526.db2.gz YOHBAOLDZDPDTL-HUUCEWRRSA-N 0 0 320.437 2.484 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1c1ccccc1 ZINC000329248196 404278104 /nfs/dbraw/zinc/27/81/04/404278104.db2.gz WNRLHVZLKVFTFQ-CABCVRRESA-N 0 0 322.368 2.045 10 30 DEEERN [O-]C(=[NH+]C[C@H]1CCOc2ccccc21)N1CCc2cncnc2C1 ZINC000329269757 404286382 /nfs/dbraw/zinc/28/63/82/404286382.db2.gz GZNBRKCHIZPSRG-CYBMUJFWSA-N 0 0 324.384 2.315 10 30 DEEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)[C@@H]2CCCCO2)no1 ZINC000329477234 404350106 /nfs/dbraw/zinc/35/01/06/404350106.db2.gz PUDUYTWWRADMAT-WXHSDQCUSA-N 0 0 308.382 2.387 10 30 DEEERN C=C(C)COCCNC(=O)c1noc(-c2cccc(OC)c2)n1 ZINC000355882146 404374782 /nfs/dbraw/zinc/37/47/82/404374782.db2.gz QJIWCDYFZBJORA-UHFFFAOYSA-N 0 0 317.345 2.068 10 30 DEEERN C[C@H](C(=O)NC1CCCCC1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000329558678 404376658 /nfs/dbraw/zinc/37/66/58/404376658.db2.gz ICYAUGIRLSGKTI-CHWSQXEVSA-N 0 0 316.467 2.031 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)[C@H]1OC ZINC000329615305 404394510 /nfs/dbraw/zinc/39/45/10/404394510.db2.gz FIKQISBRDIFCRD-YJNKXOJESA-N 0 0 308.422 2.357 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 ZINC000342142770 404398757 /nfs/dbraw/zinc/39/87/57/404398757.db2.gz KEHUTYUFPNNCHO-LLVKDONJSA-N 0 0 301.350 2.212 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NCc1nccn1CC(F)(F)F ZINC000352491648 404410999 /nfs/dbraw/zinc/41/09/99/404410999.db2.gz HMLRXQJNZDBMOX-CYBMUJFWSA-N 0 0 319.327 2.290 10 30 DEEERN O=C(NCCn1cccn1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329673344 404418077 /nfs/dbraw/zinc/41/80/77/404418077.db2.gz NZOLUOFEMUFTJA-OAHLLOKOSA-N 0 0 306.410 2.078 10 30 DEEERN Cn1cc(CNC(=O)N2CCO[C@@H](C3CCCCC3)C2)cn1 ZINC000329680754 404420195 /nfs/dbraw/zinc/42/01/95/404420195.db2.gz RMRSAQABGPEMIF-OAHLLOKOSA-N 0 0 306.410 2.115 10 30 DEEERN [O-]C(N[C@H]1CCOc2ccccc21)=[NH+][C@@H]1CCc2nc[nH]c2C1 ZINC000329688010 404422930 /nfs/dbraw/zinc/42/29/30/404422930.db2.gz FYOHRIQRQVQKTD-YPMHNXCESA-N 0 0 312.373 2.294 10 30 DEEERN N#C[C@H]1CN(C(=O)c2ccc3ccccc3n2)CCN1C1CC1 ZINC000370971315 404432284 /nfs/dbraw/zinc/43/22/84/404432284.db2.gz CKMBSVAERCAAFL-HNNXBMFYSA-N 0 0 306.369 2.047 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000342218145 404449331 /nfs/dbraw/zinc/44/93/31/404449331.db2.gz XEEMIIORCGWTGM-PBHICJAKSA-N 0 0 303.402 2.495 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000350740317 404458439 /nfs/dbraw/zinc/45/84/39/404458439.db2.gz AFGHUDKNHVYXHF-FRRDWIJNSA-N 0 0 305.426 2.068 10 30 DEEERN C=C[C@H](C)NC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000342243181 404463717 /nfs/dbraw/zinc/46/37/17/404463717.db2.gz ZJAVRFLWCLKWBX-GUTXKFCHSA-N 0 0 301.390 2.050 10 30 DEEERN C[C@H]1OCC[C@H]1NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000330203137 404584316 /nfs/dbraw/zinc/58/43/16/404584316.db2.gz AMNUOZNRFMBHNA-KCPJHIHWSA-N 0 0 308.353 2.290 10 30 DEEERN CC[C@@H](NC(=O)N1CCc2cc[nH]c(=O)c2C1)C1CCOCC1 ZINC000330216900 404589563 /nfs/dbraw/zinc/58/95/63/404589563.db2.gz IDDIHRATHLWRBJ-OAHLLOKOSA-N 0 0 319.405 2.265 10 30 DEEERN C=CCC[C@H]1NC(=O)N(c2cccc(N(C)C(C)=O)c2)C1=O ZINC000414362040 404592764 /nfs/dbraw/zinc/59/27/64/404592764.db2.gz UTAOAJOJJWZQRT-CQSZACIVSA-N 0 0 301.346 2.060 10 30 DEEERN COCc1csc(NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)n1 ZINC000330137365 404562026 /nfs/dbraw/zinc/56/20/26/404562026.db2.gz NRUVCBZNVFKCFT-ZYHUDNBSSA-N 0 0 322.390 2.389 10 30 DEEERN CCC[C@@H]1C[C@@H]1NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000330162217 404570462 /nfs/dbraw/zinc/57/04/62/404570462.db2.gz UJVLITPEOSIZQU-WZRBSPASSA-N 0 0 303.424 2.114 10 30 DEEERN C=CCCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000351574391 404651518 /nfs/dbraw/zinc/65/15/18/404651518.db2.gz AGACJARICHSVMP-UHFFFAOYSA-N 0 0 314.363 2.238 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000352884728 404680809 /nfs/dbraw/zinc/68/08/09/404680809.db2.gz WQCATECSKICYKN-UHFFFAOYSA-N 0 0 314.345 2.036 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N(C[C@@H]1CCC(=O)N1)C(C)C ZINC000414536269 404670583 /nfs/dbraw/zinc/67/05/83/404670583.db2.gz ZGTAGSRFIKTVKP-KGLIPLIRSA-N 0 0 319.453 2.471 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)Cc2ccccc2)C1=O ZINC000357645579 404740231 /nfs/dbraw/zinc/74/02/31/404740231.db2.gz FCFKZJIHIUPUHO-GOEBONIOSA-N 0 0 300.402 2.111 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](OC)c1ccc(O)cc1 ZINC000357643306 404740357 /nfs/dbraw/zinc/74/03/57/404740357.db2.gz BURRWYVHYHHNOA-VNQPRFMTSA-N 0 0 305.374 2.177 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCCC(=O)c1ccc(OC)cc1 ZINC000357677893 404741298 /nfs/dbraw/zinc/74/12/98/404741298.db2.gz QXBZJGVFUJMELZ-AWEZNQCLSA-N 0 0 305.374 2.101 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc2cc[nH]c2n1 ZINC000358090276 404753180 /nfs/dbraw/zinc/75/31/80/404753180.db2.gz ITSYMZKWJIWCOP-UKRRQHHQSA-N 0 0 314.389 2.343 10 30 DEEERN C=CCOc1ccc(CN2CC[C@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000353149978 404754578 /nfs/dbraw/zinc/75/45/78/404754578.db2.gz IKQJHOUHLMPABF-IRXDYDNUSA-N 0 0 319.401 2.404 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000358179541 404756102 /nfs/dbraw/zinc/75/61/02/404756102.db2.gz GEBGYQNDFAVECG-USXIJHARSA-N 0 0 311.422 2.012 10 30 DEEERN C=CCN(CCOC)C(=O)NC1CCC(c2nc(C)no2)CC1 ZINC000359220531 404787569 /nfs/dbraw/zinc/78/75/69/404787569.db2.gz WNFHTICFTOZZAP-UHFFFAOYSA-N 0 0 322.409 2.248 10 30 DEEERN COc1cc(Cl)cc(CN2CCN(C3CC3)[C@H](C#N)C2)c1O ZINC000360348907 404825837 /nfs/dbraw/zinc/82/58/37/404825837.db2.gz YIQDEGHMKPMXDH-CQSZACIVSA-N 0 0 321.808 2.226 10 30 DEEERN C=CCCCNC(=O)C(=O)NCc1ccc(C)cc1OCC ZINC000360511569 404829768 /nfs/dbraw/zinc/82/97/68/404829768.db2.gz BKFIVQSDPSIDQB-UHFFFAOYSA-N 0 0 304.390 2.092 10 30 DEEERN C=CCNC(=O)[C@@H](C)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360669285 404834211 /nfs/dbraw/zinc/83/42/11/404834211.db2.gz NSUUPZJGWQCJOJ-KDOFPFPSSA-N 0 0 300.402 2.199 10 30 DEEERN C=CCOC[C@H](NC(=O)C[C@H]1CCCC(C)(C)C1)C(=O)OC ZINC000360724691 404835495 /nfs/dbraw/zinc/83/54/95/404835495.db2.gz DQCPQQAHSAHEHK-KGLIPLIRSA-N 0 0 311.422 2.453 10 30 DEEERN C=CCOCCCC(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000366802626 404850020 /nfs/dbraw/zinc/85/00/20/404850020.db2.gz QQPLIUVOPNCSHQ-YQQAZPJKSA-N 0 0 311.422 2.154 10 30 DEEERN C=CCOCCCC(=O)N1CCCN(C(=O)C(C)(C)C)CC1 ZINC000360925573 404853721 /nfs/dbraw/zinc/85/37/21/404853721.db2.gz GBNRBCOEEUJLPK-UHFFFAOYSA-N 0 0 310.438 2.076 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000353761495 404961633 /nfs/dbraw/zinc/96/16/33/404961633.db2.gz UUJUJHPTLTXKRR-NSHDSACASA-N 0 0 314.307 2.382 10 30 DEEERN Cc1ccc2[nH]c(CNS(=O)(=O)CC(C)(C)CC#N)nc2c1 ZINC000451268366 404932960 /nfs/dbraw/zinc/93/29/60/404932960.db2.gz DETWHUOYSGNUAR-UHFFFAOYSA-N 0 0 320.418 2.231 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(OC)c(OC)c(C)c1OC ZINC000434957697 404946861 /nfs/dbraw/zinc/94/68/61/404946861.db2.gz HUXSPFVZTRSBQB-NSHDSACASA-N 0 0 324.377 2.079 10 30 DEEERN N#Cc1ccnc(NC(=O)CCc2nc(-c3ccoc3)no2)c1 ZINC000436028121 405037441 /nfs/dbraw/zinc/03/74/41/405037441.db2.gz NYGDUATZDUWNOD-UHFFFAOYSA-N 0 0 309.285 2.168 10 30 DEEERN N#Cc1ccnc(NC(=O)[C@H](c2ccccc2)n2cccn2)c1 ZINC000435989628 405034664 /nfs/dbraw/zinc/03/46/64/405034664.db2.gz LVSUKSIHGKHCQF-INIZCTEOSA-N 0 0 303.325 2.378 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccnc(OC(F)F)c1 ZINC000451394507 404979098 /nfs/dbraw/zinc/97/90/98/404979098.db2.gz SJAIODLEMKYWSW-WCQYABFASA-N 0 0 312.316 2.394 10 30 DEEERN CC(=O)N[C@H](CC(=O)Nc1cc(C#N)ccn1)c1cccs1 ZINC000436008200 405035806 /nfs/dbraw/zinc/03/58/06/405035806.db2.gz DIVXMOCRURPEJU-GFCCVEGCSA-N 0 0 314.370 2.221 10 30 DEEERN C=CCC1(C(=O)NCC(=O)Nc2ccccc2)CCOCC1 ZINC000424603708 405126888 /nfs/dbraw/zinc/12/68/88/405126888.db2.gz ONDQVLWDVMLUKO-UHFFFAOYSA-N 0 0 302.374 2.114 10 30 DEEERN CCC1(CC)CN(c2nccc(C)c2C#N)CCS1(=O)=O ZINC000408366323 405186439 /nfs/dbraw/zinc/18/64/39/405186439.db2.gz XEYRTZFISJCSEK-UHFFFAOYSA-N 0 0 307.419 2.055 10 30 DEEERN C[C@H](NC(=O)c1ccc(C#N)n1C)[C@H]1OCCc2sccc21 ZINC000452130393 405189331 /nfs/dbraw/zinc/18/93/31/405189331.db2.gz YDQUHIOYVYBQNS-ZUZCIYMTSA-N 0 0 315.398 2.391 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000452241720 405204956 /nfs/dbraw/zinc/20/49/56/405204956.db2.gz CHEFHUFMWJLFIX-QWHCGFSZSA-N 0 0 307.415 2.276 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC000424904720 405209613 /nfs/dbraw/zinc/20/96/13/405209613.db2.gz AGWDWFGGWVCEDQ-BPUTZDHNSA-N 0 0 301.386 2.487 10 30 DEEERN CC[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1O ZINC000408452561 405209658 /nfs/dbraw/zinc/20/96/58/405209658.db2.gz NHJDTQOXEZKLSZ-SKDRFNHKSA-N 0 0 323.190 2.164 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(OC)c(OC)c1OC ZINC000424916400 405212111 /nfs/dbraw/zinc/21/21/11/405212111.db2.gz QRURDEHXKBTECA-AAEUAGOBSA-N 0 0 321.373 2.033 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1OCCOCC ZINC000424928883 405214249 /nfs/dbraw/zinc/21/42/49/405214249.db2.gz ANOSWSALWFQZJD-HOCLYGCPSA-N 0 0 319.401 2.423 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1ccccc1C(=O)OC ZINC000424930677 405214512 /nfs/dbraw/zinc/21/45/12/405214512.db2.gz HCKKHCDXBCOYKX-HOCLYGCPSA-N 0 0 317.385 2.113 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(COC)cc1 ZINC000425400019 405284917 /nfs/dbraw/zinc/28/49/17/405284917.db2.gz XCPOQBSOWIOVAN-HOTGVXAUSA-N 0 0 304.390 2.223 10 30 DEEERN C=CC[C@H](C)NC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000438067461 405229582 /nfs/dbraw/zinc/22/95/82/405229582.db2.gz VNRVOESGLYVTAP-QWHCGFSZSA-N 0 0 324.446 2.121 10 30 DEEERN C=CCCN(C)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000438122673 405233156 /nfs/dbraw/zinc/23/31/56/405233156.db2.gz WSHDUBDMLBFYTR-CABCVRRESA-N 0 0 307.438 2.385 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)SCc1ncc(C#N)cn1 ZINC000419616721 405260235 /nfs/dbraw/zinc/26/02/35/405260235.db2.gz AHZCGIUWEJWKQX-LBPRGKRZSA-N 0 0 302.403 2.171 10 30 DEEERN C=CCCc1ccccc1NC(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000425679685 405313133 /nfs/dbraw/zinc/31/31/33/405313133.db2.gz YBSSNKIPRQOUCQ-CQSZACIVSA-N 0 0 315.373 2.074 10 30 DEEERN C=CC(C)(C)CNC(=O)NCc1nccn1CC(F)(F)F ZINC000454475408 405350759 /nfs/dbraw/zinc/35/07/59/405350759.db2.gz UYALASIWZRODMG-UHFFFAOYSA-N 0 0 304.316 2.457 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1oc(CCC)nc1C ZINC000425550717 405302081 /nfs/dbraw/zinc/30/20/81/405302081.db2.gz WREKIIBGILSZSC-STQMWFEESA-N 0 0 307.394 2.326 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(OCC)cc1 ZINC000425593936 405305711 /nfs/dbraw/zinc/30/57/11/405305711.db2.gz YECWQQXISDFPMK-HOCLYGCPSA-N 0 0 304.390 2.476 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)Nc1cc(C)c(OC)cc1C ZINC000446437834 405382684 /nfs/dbraw/zinc/38/26/84/405382684.db2.gz LDXOVWUKVYPIEJ-UHFFFAOYSA-N 0 0 302.374 2.451 10 30 DEEERN C=C(CC)CNC(=O)N1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000455529898 405422538 /nfs/dbraw/zinc/42/25/38/405422538.db2.gz YZKSRVKQYYRCHT-CQSZACIVSA-N 0 0 306.410 2.086 10 30 DEEERN C=CCCCN(C)S(=O)(=O)C[C@H](Cc1ccccc1)OC ZINC000420678125 405371290 /nfs/dbraw/zinc/37/12/90/405371290.db2.gz NTDQHNLLYITRKV-INIZCTEOSA-N 0 0 311.447 2.472 10 30 DEEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCC[C@H]1CCOC1 ZINC000456761566 405553095 /nfs/dbraw/zinc/55/30/95/405553095.db2.gz KTPHVPCMYDCQBW-GUYCJALGSA-N 0 0 324.421 2.181 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CC[C@H](N2CCCC2=O)C1 ZINC000633410643 405628471 /nfs/dbraw/zinc/62/84/71/405628471.db2.gz AMIZFPGPFKXEKE-AWEZNQCLSA-N 0 0 307.438 2.385 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NC1(Cc2ccccc2)CCOCC1 ZINC000456803805 405575292 /nfs/dbraw/zinc/57/52/92/405575292.db2.gz HUEFFONDJCQBTJ-UHFFFAOYSA-N 0 0 323.396 2.418 10 30 DEEERN C=C1CC(C)(C(=O)Nc2ccc(OC)c(S(C)(=O)=O)c2)C1 ZINC000633429212 405640369 /nfs/dbraw/zinc/64/03/69/405640369.db2.gz JKELTWBEZAGHTI-UHFFFAOYSA-N 0 0 309.387 2.394 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000633421557 405635603 /nfs/dbraw/zinc/63/56/03/405635603.db2.gz FWBTYAJTISHBLO-ZDUSSCGKSA-N 0 0 310.442 2.069 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N(C)[C@H](C)c1ccncc1 ZINC000582311140 405706633 /nfs/dbraw/zinc/70/66/33/405706633.db2.gz DIQPCORMOQQYCA-CQSZACIVSA-N 0 0 303.406 2.464 10 30 DEEERN C=CCN(C)c1nnc([C@@H]2COCCO2)n1Cc1ccccc1 ZINC000558912474 405708846 /nfs/dbraw/zinc/70/88/46/405708846.db2.gz GLPOJNCZDNQEGO-HNNXBMFYSA-N 0 0 314.389 2.037 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)NCCc1cn(C)cn1 ZINC000459183565 405788188 /nfs/dbraw/zinc/78/81/88/405788188.db2.gz RERGMQOPGSZXFL-UHFFFAOYSA-N 0 0 304.419 2.422 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1ccc(OCC(N)=O)cc1 ZINC000633963743 405933307 /nfs/dbraw/zinc/93/33/07/405933307.db2.gz RORDEBWUAMUSOQ-UHFFFAOYSA-N 0 0 304.390 2.273 10 30 DEEERN C=CCCC(C)(C)CNC(=O)CNC(=O)Cc1ccc(O)cc1 ZINC000633965559 405933494 /nfs/dbraw/zinc/93/34/94/405933494.db2.gz VIJNQGPGECQSFW-UHFFFAOYSA-N 0 0 318.417 2.160 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1cn(Cc2ccccn2)nn1 ZINC000633965126 405933601 /nfs/dbraw/zinc/93/36/01/405933601.db2.gz YYSZRMRXCFIDEY-UHFFFAOYSA-N 0 0 313.405 2.444 10 30 DEEERN CCOC(=O)[C@H]1CN(c2ccc(C#N)c(Cl)c2)CC12COC2 ZINC000450572655 405959292 /nfs/dbraw/zinc/95/92/92/405959292.db2.gz UXQZLROJHXBRGZ-CYBMUJFWSA-N 0 0 320.776 2.228 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCO[C@H](CCc2ccccc2)C1 ZINC000450582272 405964615 /nfs/dbraw/zinc/96/46/15/405964615.db2.gz HHANBSATZSHUQT-QGZVFWFLSA-N 0 0 323.396 2.371 10 30 DEEERN C=CCCn1cc(C(=O)N[C@H](CF)c2ccc(F)cc2)nn1 ZINC000636350563 405904176 /nfs/dbraw/zinc/90/41/76/405904176.db2.gz WAYNFKMHHGMJEF-CYBMUJFWSA-N 0 0 306.316 2.434 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](CF)c1ccc(F)cc1 ZINC000636348128 405904580 /nfs/dbraw/zinc/90/45/80/405904580.db2.gz DTSVCZQQUPMIFQ-HUUCEWRRSA-N 0 0 310.344 2.423 10 30 DEEERN C[C@H](CNc1cccc(C#N)c1[N+](=O)[O-])N1CCCCC1=O ZINC000450476208 405919109 /nfs/dbraw/zinc/91/91/09/405919109.db2.gz OAJXKAKJQSYNMB-LLVKDONJSA-N 0 0 302.334 2.279 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1CCCc2occc21 ZINC000636568587 406012441 /nfs/dbraw/zinc/01/24/41/406012441.db2.gz LXTNJWVKASUVMF-CYBMUJFWSA-N 0 0 304.390 2.492 10 30 DEEERN C=CCNC(=O)c1ccc(NCC(C)(C)N2CCOCC2)cc1 ZINC000639291125 406026797 /nfs/dbraw/zinc/02/67/97/406026797.db2.gz WTGWZJOCQSBNPF-UHFFFAOYSA-N 0 0 317.433 2.125 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CC(COC)(C2CC2)C1 ZINC000634052163 405980581 /nfs/dbraw/zinc/98/05/81/405980581.db2.gz KCMZWSUBTIPBKR-UHFFFAOYSA-N 0 0 302.374 2.145 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NC(C)(C)c1nc2ccccc2n1C ZINC000450952104 405998087 /nfs/dbraw/zinc/99/80/87/405998087.db2.gz RSPROBQCZACLGY-UHFFFAOYSA-N 0 0 321.384 2.449 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2 ZINC000433969867 406004850 /nfs/dbraw/zinc/00/48/50/406004850.db2.gz BRBLURRINSDQHA-ZDUSSCGKSA-N 0 0 315.417 2.071 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@](C)(CO)Cc1ccccc1F ZINC000634279259 406080118 /nfs/dbraw/zinc/08/01/18/406080118.db2.gz LHWQSGSDZYRVTO-GUYCJALGSA-N 0 0 309.381 2.217 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@]1(CO)CC(C)C ZINC000515835907 406082714 /nfs/dbraw/zinc/08/27/14/406082714.db2.gz PAZKPRPFSMYLMS-ZOBUZTSGSA-N 0 0 310.438 2.160 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1nc(SC)n2ccccc12 ZINC000566005387 406084502 /nfs/dbraw/zinc/08/45/02/406084502.db2.gz HXXXCOPDSVNMAX-AAEUAGOBSA-N 0 0 317.414 2.377 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000636817783 406090489 /nfs/dbraw/zinc/09/04/89/406090489.db2.gz VMDDZHCWCZYAAN-UONOGXRCSA-N 0 0 310.438 2.025 10 30 DEEERN C=C1CC(C)(C(=O)Nc2cn(C)cc(Br)c2=O)C1 ZINC000632331894 406094658 /nfs/dbraw/zinc/09/46/58/406094658.db2.gz CUHDSSNZHGZZTR-UHFFFAOYSA-N 0 0 311.179 2.443 10 30 DEEERN C=CCn1c(Cc2cc(C)[nH]n2)nnc1N1CC[C@@H](C)[C@H](F)C1 ZINC000634337085 406104609 /nfs/dbraw/zinc/10/46/09/406104609.db2.gz DFBKSUKKPKPCGF-BXUZGUMPSA-N 0 0 318.400 2.271 10 30 DEEERN N#CCC1(CNC(=O)NCC[C@H]2COc3ccccc3O2)CC1 ZINC000563261098 406059438 /nfs/dbraw/zinc/05/94/38/406059438.db2.gz KDAQWBUQYPGNAE-ZDUSSCGKSA-N 0 0 315.373 2.210 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000564772623 406065351 /nfs/dbraw/zinc/06/53/51/406065351.db2.gz YEUWCQIWPOUGTK-NCOADZHNSA-N 0 0 322.449 2.426 10 30 DEEERN N#Cc1ccc(C[C@@H](C#N)C(=O)NCCOCC2CCC2)cc1 ZINC000564747781 406065518 /nfs/dbraw/zinc/06/55/18/406065518.db2.gz FDUVKEOTVGMDDG-KRWDZBQOSA-N 0 0 311.385 2.173 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000636753044 406072492 /nfs/dbraw/zinc/07/24/92/406072492.db2.gz XTYXRCVFPMABRI-MCIONIFRSA-N 0 0 322.449 2.025 10 30 DEEERN Cc1ccc(-c2noc(CS(=O)(=O)CCCC#N)n2)cc1 ZINC000515531618 406072843 /nfs/dbraw/zinc/07/28/43/406072843.db2.gz QKIQXADEVKQCQF-UHFFFAOYSA-N 0 0 305.359 2.264 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@]1(COC)CCOC1 ZINC000460006203 406073079 /nfs/dbraw/zinc/07/30/79/406073079.db2.gz FOPJEUCKNMJDSX-GOSISDBHSA-N 0 0 319.401 2.263 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)Cc1ccncc1 ZINC000636755442 406073170 /nfs/dbraw/zinc/07/31/70/406073170.db2.gz BNHBQWQCTUOKQC-AWEZNQCLSA-N 0 0 317.433 2.237 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NC[C@H](C)c1nc(C)cs1 ZINC000636757509 406073848 /nfs/dbraw/zinc/07/38/48/406073848.db2.gz MTBKGRFTWKMPBS-NSHDSACASA-N 0 0 323.462 2.390 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC(C)(C)C[C@H]1C ZINC000565644239 406075844 /nfs/dbraw/zinc/07/58/44/406075844.db2.gz IOMFQTMONZBOSE-OLZOCXBDSA-N 0 0 306.410 2.177 10 30 DEEERN C=CCNC(=O)Nc1ccc(NC[C@H](O)COC(C)C)cc1 ZINC000567694417 406121365 /nfs/dbraw/zinc/12/13/65/406121365.db2.gz SLRJCZJGRWBDJY-HNNXBMFYSA-N 0 0 307.394 2.192 10 30 DEEERN C[C@H](CNc1c(C#N)nnc2ccccc21)N1CCCCC1=O ZINC000471822587 406121404 /nfs/dbraw/zinc/12/14/04/406121404.db2.gz BZRULFISGSUYOI-GFCCVEGCSA-N 0 0 309.373 2.314 10 30 DEEERN C=CCOc1cccc(NC(=O)NCC[C@H](O)C(F)F)c1 ZINC000639586619 406157225 /nfs/dbraw/zinc/15/72/25/406157225.db2.gz JVPGCTRIZQLTBA-LBPRGKRZSA-N 0 0 300.305 2.389 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c2c(nn1C)CCCC2 ZINC000632571348 406185791 /nfs/dbraw/zinc/18/57/91/406185791.db2.gz AHTJZHWRBXESKA-BETUJISGSA-N 0 0 321.446 2.171 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)Cc1cccc(C)n1 ZINC000632640350 406209103 /nfs/dbraw/zinc/20/91/03/406209103.db2.gz XNJXXFBYHUNPMM-UHFFFAOYSA-N 0 0 317.433 2.457 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1nc(SC)ncc1Cl ZINC000568382833 406217749 /nfs/dbraw/zinc/21/77/49/406217749.db2.gz OLNFVRZAXFADLW-WPRPVWTQSA-N 0 0 313.810 2.173 10 30 DEEERN C=CCCC1(CNC(=O)NC[C@@H](O)[C@@H]2CCCO2)CCCC1 ZINC000637261991 406233652 /nfs/dbraw/zinc/23/36/52/406233652.db2.gz CKZPLQSYEAJZPH-CABCVRRESA-N 0 0 310.438 2.352 10 30 DEEERN CC(=O)c1ccc(CNC(=O)Cc2cccc(C#N)c2)nc1C ZINC000535733679 406230650 /nfs/dbraw/zinc/23/06/50/406230650.db2.gz CIMRGLAOECJSRF-UHFFFAOYSA-N 0 0 307.353 2.323 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@H](OC)C[C@@]1(C)CO ZINC000637264992 406234550 /nfs/dbraw/zinc/23/45/50/406234550.db2.gz OWWGQJAFINHOQF-AIANPOQGSA-N 0 0 310.438 2.303 10 30 DEEERN C=CCN(C(=O)NCc1c(C(F)(F)F)cnn1C)C1CC1 ZINC000637343398 406267920 /nfs/dbraw/zinc/26/79/20/406267920.db2.gz FIFUBHOIGWJGEH-UHFFFAOYSA-N 0 0 302.300 2.299 10 30 DEEERN C=C1CC(C)(C(=O)Nc2ccc(C)c(N3C(=O)CNC3=O)c2)C1 ZINC000632816895 406275252 /nfs/dbraw/zinc/27/52/52/406275252.db2.gz HKTKMRGSGOHTMP-UHFFFAOYSA-N 0 0 313.357 2.346 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000569922522 406320644 /nfs/dbraw/zinc/32/06/44/406320644.db2.gz IJWUMRILFIBEMA-JSGCOSHPSA-N 0 0 320.437 2.440 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC[C@H]1CC ZINC000521198000 406334842 /nfs/dbraw/zinc/33/48/42/406334842.db2.gz OKQVVNLVIUPXEE-ZIAGYGMSSA-N 0 0 306.410 2.321 10 30 DEEERN C=CC[C@H](CO)CNC(=O)NCC1([C@H]2CCCCO2)CCC1 ZINC000637701310 406395151 /nfs/dbraw/zinc/39/51/51/406395151.db2.gz TXFGYADNXKXWNP-LSDHHAIUSA-N 0 0 310.438 2.210 10 30 DEEERN C=CCCCS(=O)(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000489814168 406431931 /nfs/dbraw/zinc/43/19/31/406431931.db2.gz UFQDWDMDARADLM-CQSZACIVSA-N 0 0 311.451 2.207 10 30 DEEERN C=CCCCS(=O)(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000489706934 406426878 /nfs/dbraw/zinc/42/68/78/406426878.db2.gz XLHUKRKUWCVRIY-ZDUSSCGKSA-N 0 0 320.418 2.214 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000571061534 406474795 /nfs/dbraw/zinc/47/47/95/406474795.db2.gz XNYGXXAFXYBGCT-LBPRGKRZSA-N 0 0 309.435 2.491 10 30 DEEERN COC(=O)C(C)(C)N1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000489916660 406438432 /nfs/dbraw/zinc/43/84/32/406438432.db2.gz WABQHEJEVMPOJR-UHFFFAOYSA-N 0 0 321.808 2.285 10 30 DEEERN COc1cc(Nc2ccncc2C#N)ccc1N1CCCC1=O ZINC000547824373 406451297 /nfs/dbraw/zinc/45/12/97/406451297.db2.gz XWFRZNMCOWSYGD-UHFFFAOYSA-N 0 0 308.341 2.254 10 30 DEEERN C[C@@H](CNC(=O)c1ccc(C#N)c(Cl)c1)N1CCCCC1=O ZINC000526015144 406534037 /nfs/dbraw/zinc/53/40/37/406534037.db2.gz IQPHOURQVAUBHL-NSHDSACASA-N 0 0 319.792 2.342 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCC[C@H](COC)CC1 ZINC000573266715 406771133 /nfs/dbraw/zinc/77/11/33/406771133.db2.gz KYPJNEMMPGCZHH-HNNXBMFYSA-N 0 0 310.438 2.124 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000573201930 406770799 /nfs/dbraw/zinc/77/07/99/406770799.db2.gz HXTCXQAHVXGHKU-ZIAGYGMSSA-N 0 0 303.410 2.417 10 30 DEEERN CCOc1cc(I)cc(C#N)c1[N+](=O)[O-] ZINC000575671893 406817193 /nfs/dbraw/zinc/81/71/93/406817193.db2.gz YWIUVOFTDNZACG-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN CCOc1cc(I)c([N+](=O)[O-])cc1C#N ZINC000575671758 406817375 /nfs/dbraw/zinc/81/73/75/406817375.db2.gz WRXZNKDOXZKDTB-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN CCOC(=O)Cc1cc(C#N)c(C=O)c(OC(F)(F)F)c1 ZINC000575391296 406809029 /nfs/dbraw/zinc/80/90/29/406809029.db2.gz SRROXBZCZUIPKD-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN CCOC(=O)Cc1ccc(C#N)c([N+](=O)[O-])c1OC(F)(F)F ZINC000575395933 406809865 /nfs/dbraw/zinc/80/98/65/406809865.db2.gz WYIPMGUSUNBKIF-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000577351016 406836442 /nfs/dbraw/zinc/83/64/42/406836442.db2.gz SGHUZACUZNACMZ-CAPXZKIUSA-N 0 0 314.385 2.354 10 30 DEEERN C=C(C)Cn1c(C2CC2)nnc1N1CC[C@](O)(C(F)(F)F)C1 ZINC000555221849 406836673 /nfs/dbraw/zinc/83/66/73/406836673.db2.gz YGOTXZNDAYGGKS-CYBMUJFWSA-N 0 0 316.327 2.235 10 30 DEEERN N#Cc1cccc(Cc2nc([C@H]3CN4CCCC[C@H]4CO3)no2)c1 ZINC000556016980 406859260 /nfs/dbraw/zinc/85/92/60/406859260.db2.gz UBUIXHDQXCXUQO-JKSUJKDBSA-N 0 0 324.384 2.458 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000556186948 406863936 /nfs/dbraw/zinc/86/39/36/406863936.db2.gz BPLZWVBRRRTOTR-BZPMIXESSA-N 0 0 321.808 2.021 10 30 DEEERN C#CC[C@@H](CC)NS(=O)(=O)c1cc(N)c(Cl)cc1C ZINC000129184142 196026998 /nfs/dbraw/zinc/02/69/98/196026998.db2.gz MVHKZJAXMIZNKK-SNVBAGLBSA-N 0 0 300.811 2.311 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(N(CC)CC)nc1 ZINC000130534617 196088377 /nfs/dbraw/zinc/08/83/77/196088377.db2.gz JTPLXBLNOXNMFC-UHFFFAOYSA-N 0 0 318.421 2.291 10 30 DEEERN CCOCCOCC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000130797005 196110913 /nfs/dbraw/zinc/11/09/13/196110913.db2.gz OVOJMVXPNUEWCA-UHFFFAOYSA-N 0 0 306.362 2.337 10 30 DEEERN O=c1cccc(C(F)(F)F)n1Cc1sccc1C#CCO ZINC000132805991 196285089 /nfs/dbraw/zinc/28/50/89/196285089.db2.gz IEFNDUGFGHCWSY-UHFFFAOYSA-N 0 0 313.300 2.321 10 30 DEEERN Cn1ncc(Br)c1[C@](C)(O)c1ccc(C#N)cc1 ZINC000133081089 196310306 /nfs/dbraw/zinc/31/03/06/196310306.db2.gz FIYFEVPYUVXPKE-CYBMUJFWSA-N 0 0 306.163 2.310 10 30 DEEERN C=C(C)CN(C)S(=O)(=O)CCSc1cccc(N)c1 ZINC000135285740 196460071 /nfs/dbraw/zinc/46/00/71/196460071.db2.gz UKTXCHGQDDWBPA-UHFFFAOYSA-N 0 0 300.449 2.199 10 30 DEEERN COCCCNC(=O)[C@H](C)SCc1ccc(OC)c(C#N)c1 ZINC000135349016 196466715 /nfs/dbraw/zinc/46/67/15/196466715.db2.gz DVWAPWVBCHQECZ-LBPRGKRZSA-N 0 0 322.430 2.341 10 30 DEEERN CCSC[C@H](C)NC(=O)c1ccc(C#CCCO)c(F)c1 ZINC000135452838 196475465 /nfs/dbraw/zinc/47/54/65/196475465.db2.gz IMJSLHTVLVCALJ-LBPRGKRZSA-N 0 0 309.406 2.431 10 30 DEEERN Cc1ccc([C@@H]2CN(CC(=O)N[C@@](C)(C#N)C(C)C)CCO2)o1 ZINC000158996299 224706980 /nfs/dbraw/zinc/70/69/80/224706980.db2.gz GVIVESZCRACXIV-RDJZCZTQSA-N 0 0 319.405 2.016 10 30 DEEERN Cc1cc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)sc1Cl ZINC000191556613 225113620 /nfs/dbraw/zinc/11/36/20/225113620.db2.gz MYZQBVFZNLASCT-NSHDSACASA-N 0 0 320.823 2.013 10 30 DEEERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328849447 225805302 /nfs/dbraw/zinc/80/53/02/225805302.db2.gz UFDNXLHLRHVRMS-AMKSKSKJSA-N 0 0 320.437 2.039 10 30 DEEERN COc1ccc(C(=O)N2CCC(C#N)CC2)cc1-c1ccn(C)n1 ZINC000329126521 225839723 /nfs/dbraw/zinc/83/97/23/225839723.db2.gz YNRTXVSSBIEIAH-UHFFFAOYSA-N 0 0 324.384 2.471 10 30 DEEERN Cc1nc([C@H](C)NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cs1 ZINC000329281397 225858578 /nfs/dbraw/zinc/85/85/78/225858578.db2.gz DYVCKYUCXOTDON-MKPLZMMCSA-N 0 0 308.407 2.477 10 30 DEEERN O=C(CN1CCOCC1=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000329886048 225942882 /nfs/dbraw/zinc/94/28/82/225942882.db2.gz VNWDBSFIKAHUHS-QWRGUYRKSA-N 0 0 322.327 2.170 10 30 DEEERN CCn1nccc1C1CCN(C(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000333200524 226103001 /nfs/dbraw/zinc/10/30/01/226103001.db2.gz YYJBUPGIBGFIKK-CABCVRRESA-N 0 0 315.421 2.484 10 30 DEEERN N#CCN1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000368034730 227002205 /nfs/dbraw/zinc/00/22/05/227002205.db2.gz KMULTSANQGPEEG-ZDUSSCGKSA-N 0 0 301.394 2.241 10 30 DEEERN N#C[C@H]1CN(C(=O)Nc2ccc(F)cc2F)CCN1C1CC1 ZINC000369232529 227026885 /nfs/dbraw/zinc/02/68/85/227026885.db2.gz PVHYIKOCJREAJF-LBPRGKRZSA-N 0 0 306.316 2.169 10 30 DEEERN N#C[C@H]1CN(C(=O)NCCC2=CCCCC2)CCN1C1CC1 ZINC000369222093 227026932 /nfs/dbraw/zinc/02/69/32/227026932.db2.gz ZFWHWRRGNNXHOU-INIZCTEOSA-N 0 0 302.422 2.259 10 30 DEEERN N#C[C@@H]1CN(C(=O)Nc2ccc3[nH]ccc3c2)CCN1C1CC1 ZINC000369219923 227027861 /nfs/dbraw/zinc/02/78/61/227027861.db2.gz QOCGFUURRWHUGW-OAHLLOKOSA-N 0 0 309.373 2.372 10 30 DEEERN N#C[C@H]1CN(C(=O)c2ccnc3ccccc32)CCN1C1CC1 ZINC000370972454 227062381 /nfs/dbraw/zinc/06/23/81/227062381.db2.gz JXXQOOGFWOLHKR-AWEZNQCLSA-N 0 0 306.369 2.047 10 30 DEEERN N#C[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCN1C1CC1 ZINC000371327375 227067882 /nfs/dbraw/zinc/06/78/82/227067882.db2.gz NGHDSGAGUASTEN-WMHVBEDNSA-N 0 0 312.373 2.280 10 30 DEEERN Cc1nn(-c2ccccc2)cc1CN1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371326267 227068962 /nfs/dbraw/zinc/06/89/62/227068962.db2.gz IFVSJZVOEBOSGP-IBGZPJMESA-N 0 0 321.428 2.353 10 30 DEEERN Cc1cccc2c1OC[C@@H](NC(=O)N1CC3(C1)CCCOC3)C2 ZINC000329612930 292608452 /nfs/dbraw/zinc/60/84/52/292608452.db2.gz KFEXGUIORVDCFF-HNNXBMFYSA-N 0 0 316.401 2.325 10 30 DEEERN N#C[C@H]1CN(C(=O)CCc2ccccc2Cl)CCN1C1CC1 ZINC000376511869 227170711 /nfs/dbraw/zinc/17/07/11/227170711.db2.gz DWQZRZVKITZVHK-HNNXBMFYSA-N 0 0 317.820 2.471 10 30 DEEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccncc1Br ZINC000408236745 227229360 /nfs/dbraw/zinc/22/93/60/227229360.db2.gz QPPFUAIWNLUDNH-PSASIEDQSA-N 0 0 309.167 2.080 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000408340216 227232142 /nfs/dbraw/zinc/23/21/42/227232142.db2.gz UJHBKOROXHNEHI-CBAPKCEASA-N 0 0 304.293 2.074 10 30 DEEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)C2CN(CC(F)(F)F)C2)C1 ZINC000408350887 227232733 /nfs/dbraw/zinc/23/27/33/227232733.db2.gz AVYSDWVJYJRXSD-ZWNOBZJWSA-N 0 0 303.328 2.069 10 30 DEEERN N#Cc1ccc(N[C@@H]2CCN(c3ncccc3Cl)C2)nn1 ZINC000301967826 230009126 /nfs/dbraw/zinc/00/91/26/230009126.db2.gz OZFDVCDIVRLNKS-LLVKDONJSA-N 0 0 300.753 2.087 10 30 DEEERN COc1ccc(F)cc1CNS(=O)(=O)c1cccc(C#N)c1 ZINC000187852552 269784531 /nfs/dbraw/zinc/78/45/31/269784531.db2.gz UMQWOLRWQCGHPU-UHFFFAOYSA-N 0 0 320.345 2.184 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(C2CC2)nn1 ZINC000627686192 421847976 /nfs/dbraw/zinc/84/79/76/421847976.db2.gz XGXGHNWKXLZIBK-UHFFFAOYSA-N 0 0 302.378 2.011 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCO[C@@](C)(C(F)F)C2)s1 ZINC000622187209 422537945 /nfs/dbraw/zinc/53/79/45/422537945.db2.gz IIDFDORENZWGSB-CYBMUJFWSA-N 0 0 317.361 2.237 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc(-c3cnn(C)c3)nn2)C1 ZINC000626544045 422563309 /nfs/dbraw/zinc/56/33/09/422563309.db2.gz DTLNXDBDRLDMJE-GFCCVEGCSA-N 0 0 312.377 2.307 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1ccc2nnc(-c3ccncc3)n2n1 ZINC000631309279 422675999 /nfs/dbraw/zinc/67/59/99/422675999.db2.gz NGRAOHRWWNIOEI-KBPBESRZSA-N 0 0 322.372 2.189 10 30 DEEERN C=CCN(CCn1nc2ccccn2c1=O)Cc1cccs1 ZINC000045735839 424817314 /nfs/dbraw/zinc/81/73/14/424817314.db2.gz KEKJCVULFKQGPW-UHFFFAOYSA-N 0 0 314.414 2.246 10 30 DEEERN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC000519248566 424825141 /nfs/dbraw/zinc/82/51/41/424825141.db2.gz LWRWFAVTVKZYEU-UONOGXRCSA-N 0 0 320.437 2.362 10 30 DEEERN CCN(CCNC(=O)c1cc(C#N)cn1C)c1ccccc1C ZINC000176729570 266125388 /nfs/dbraw/zinc/12/53/88/266125388.db2.gz SOEJRBFPJSAISK-UHFFFAOYSA-N 0 0 310.401 2.462 10 30 DEEERN C=CCOc1cccc(NC(=O)Nc2cc(OC)n(C)n2)c1 ZINC000547865418 424868978 /nfs/dbraw/zinc/86/89/78/424868978.db2.gz XNJHMHAONVMMIL-UHFFFAOYSA-N 0 0 302.334 2.638 10 30 DEEERN Cc1cc(C#N)nc(NC[C@@H]2CC(c3ccc(C)c(C)c3)=NO2)n1 ZINC000367822856 424869838 /nfs/dbraw/zinc/86/98/38/424869838.db2.gz BJWZPSAGSRAOMT-INIZCTEOSA-N 0 0 321.384 2.879 10 30 DEEERN C=CCC1(C(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)CCOCC1 ZINC000566127289 424908792 /nfs/dbraw/zinc/90/87/92/424908792.db2.gz MWSUUHWXPPWIBM-ZDUSSCGKSA-N 0 0 319.405 2.615 10 30 DEEERN C=CCC1(C(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)CCOCC1 ZINC000566127288 424908835 /nfs/dbraw/zinc/90/88/35/424908835.db2.gz MWSUUHWXPPWIBM-CYBMUJFWSA-N 0 0 319.405 2.615 10 30 DEEERN C=CCCCCNc1ncc(I)cn1 ZINC000389227624 424915607 /nfs/dbraw/zinc/91/56/07/424915607.db2.gz RGIMLEQRFPZDSI-UHFFFAOYSA-N 0 0 303.147 2.849 10 30 DEEERN C=CC[C@@H]1N(C(=O)Nc2cc(OC)n(C)n2)CCCC1(C)C ZINC000569670364 424924378 /nfs/dbraw/zinc/92/43/78/424924378.db2.gz UFVAQSLJKMJVOV-LBPRGKRZSA-N 0 0 306.410 3.027 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000425277459 424997144 /nfs/dbraw/zinc/99/71/44/424997144.db2.gz FRAAHSRNXUZTNX-ZBEGNZNMSA-N 0 0 324.340 3.018 10 30 DEEERN C=C(C)CCNC(=O)Nc1ccn([C@@H](CCC)C(=O)OCC)n1 ZINC000597046133 425030296 /nfs/dbraw/zinc/03/02/96/425030296.db2.gz KFDRUQSLLMFUDR-ZDUSSCGKSA-N 0 0 322.409 2.875 10 30 DEEERN C=C[C@](C)(CC)C(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1 ZINC000598545166 425038413 /nfs/dbraw/zinc/03/84/13/425038413.db2.gz FQGGHJXQOWLPMY-MRXNPFEDSA-N 0 0 307.394 2.766 10 30 DEEERN C=CC(C)(C)CNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000453883526 425088260 /nfs/dbraw/zinc/08/82/60/425088260.db2.gz VHEPSRKHNLLEFU-UHFFFAOYSA-N 0 0 319.405 2.773 10 30 DEEERN CC(=O)Nc1ccc(CNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000530672223 266839641 /nfs/dbraw/zinc/83/96/41/266839641.db2.gz IMHURTPQRXVKQH-UHFFFAOYSA-N 0 0 307.353 2.376 10 30 DEEERN CCOC(=O)[C@H]1CCCCN1C(=O)Cc1cccc(C#N)c1 ZINC000530670695 267133102 /nfs/dbraw/zinc/13/31/02/267133102.db2.gz HGBXUTLJEKPBKF-OAHLLOKOSA-N 0 0 300.358 2.045 10 30 DEEERN COC(=O)CCC1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000531236506 267359495 /nfs/dbraw/zinc/35/94/95/267359495.db2.gz NXPPMNFMZVRDMZ-UHFFFAOYSA-N 0 0 314.385 2.293 10 30 DEEERN C[C@@H](O)CC(C)(C)CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000173795926 267482338 /nfs/dbraw/zinc/48/23/38/267482338.db2.gz SFTMXVGAWUCGLR-CYBMUJFWSA-N 0 0 319.405 2.033 10 30 DEEERN Cc1nsc(NC(=O)C[C@H](C)N2CCCCC2=O)c1C#N ZINC000333836229 267700017 /nfs/dbraw/zinc/70/00/17/267700017.db2.gz MMCAMPFWYUKTBA-VIFPVBQESA-N 0 0 306.391 2.053 10 30 DEEERN N#Cc1ccc(CNCc2nc(COc3ccccc3)n[nH]2)o1 ZINC000185759295 268075456 /nfs/dbraw/zinc/07/54/56/268075456.db2.gz KSRHTMOUYXARSV-UHFFFAOYSA-N 0 0 309.329 2.138 10 30 DEEERN N#Cc1cccc(CC(=O)NCCCOCC(F)(F)F)c1 ZINC000530908446 268274281 /nfs/dbraw/zinc/27/42/81/268274281.db2.gz SVYWMJYPJPVVRI-UHFFFAOYSA-N 0 0 300.280 2.186 10 30 DEEERN N#Cc1cccc(CC(=O)NCCC(=O)NC2CCCCC2)c1 ZINC000531384491 268274381 /nfs/dbraw/zinc/27/43/81/268274381.db2.gz STECNTALVAZIAA-UHFFFAOYSA-N 0 0 313.401 2.056 10 30 DEEERN C[C@@H]1CN(c2cc3ccccc3nc2C#N)C[C@H](C)S1(=O)=O ZINC000334034912 269009359 /nfs/dbraw/zinc/00/93/59/269009359.db2.gz NBUYOPSVSBTQCK-TXEJJXNPSA-N 0 0 315.398 2.118 10 30 DEEERN N#Cc1cc(S(=O)(=O)NC[C@@H]2CCCC2(F)F)ccc1F ZINC000391100625 269097932 /nfs/dbraw/zinc/09/79/32/269097932.db2.gz UOUJWSMGTQQOEY-JTQLQIEISA-N 0 0 318.320 2.411 10 30 DEEERN CN1C(=O)N[C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)CC[C@@H]21 ZINC000284558998 277017312 /nfs/dbraw/zinc/01/73/12/277017312.db2.gz MCXUFQZMWYOVIH-OLZOCXBDSA-N 0 0 324.306 2.179 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000355907623 277920139 /nfs/dbraw/zinc/92/01/39/277920139.db2.gz BBIIKZYBEXXAOB-ZWKOTPCHSA-N 0 0 301.386 2.362 10 30 DEEERN C[C@@H]1CCc2ccccc2N1CCC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000329668452 278620349 /nfs/dbraw/zinc/62/03/49/278620349.db2.gz QZMBOVDWMVSWOL-UKRRQHHQSA-N 0 0 315.417 2.405 10 30 DEEERN Cc1nc(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(Cl)cc1C#N ZINC000292354425 279094340 /nfs/dbraw/zinc/09/43/40/279094340.db2.gz CFYYZJHULPCHMA-ABAIWWIYSA-N 0 0 320.824 2.072 10 30 DEEERN C[C@@H]1CN(CC#Cc2ccc(Cl)cc2)CCS(=O)(=O)C1 ZINC000192105367 288135944 /nfs/dbraw/zinc/13/59/44/288135944.db2.gz PRLVTFBZLRMOHI-CYBMUJFWSA-N 0 0 311.834 2.058 10 30 DEEERN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329544841 280079494 /nfs/dbraw/zinc/07/94/94/280079494.db2.gz YYTUZBFKJLKLDG-OLMNGRFOSA-N 0 0 311.422 2.446 10 30 DEEERN CC(C)[C@H](C(=O)N1CCC(C)(C#N)CC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000356991371 280141282 /nfs/dbraw/zinc/14/12/82/280141282.db2.gz TVELJOZUEFLPKL-BZUAXINKSA-N 0 0 321.465 2.272 10 30 DEEERN CC1(C)Cc2ccc(C(=O)N3CCC(C#N)CC3)c(O)c2O1 ZINC000408410553 281371933 /nfs/dbraw/zinc/37/19/33/281371933.db2.gz UJGGIIOXVVSGKL-UHFFFAOYSA-N 0 0 300.358 2.481 10 30 DEEERN CCn1cnnc1[C@H]1CCCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000110755511 288752077 /nfs/dbraw/zinc/75/20/77/288752077.db2.gz FDPQATLAHBCDRL-AWEZNQCLSA-N 0 0 315.421 2.478 10 30 DEEERN Cn1c2ccc(NC(=O)[C@@]3(C)CCCNC3=O)cc2n(C)c1=O ZINC000330212248 294182363 /nfs/dbraw/zinc/18/23/63/294182363.db2.gz DNNHBFSYGJNSNA-INIZCTEOSA-N 0 0 316.361 2.222 10 30 DEEERN N#CC1(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)CCCCC1 ZINC000118672507 294784269 /nfs/dbraw/zinc/78/42/69/294784269.db2.gz FCOOSTVVSYQOEJ-CQSZACIVSA-N 0 0 313.405 2.036 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2c(Cl)cc(F)cc2Cl)CCO1 ZINC000277192829 294827252 /nfs/dbraw/zinc/82/72/52/294827252.db2.gz GAGWVAYZWZMJSX-MRVPVSSYSA-N 0 0 303.120 2.497 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408305138 294984014 /nfs/dbraw/zinc/98/40/14/294984014.db2.gz HIGZSQWQJRPUGZ-LLVKDONJSA-N 0 0 304.293 2.149 10 30 DEEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000328836940 295382015 /nfs/dbraw/zinc/38/20/15/295382015.db2.gz MZNGGZZQMTWVJO-KLZNWCGWSA-N 0 0 308.422 2.095 10 30 DEEERN O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1cnn2ccncc12 ZINC000329564783 295382802 /nfs/dbraw/zinc/38/28/02/295382802.db2.gz SJJDNOAUSOCVMA-IAQYHMDHSA-N 0 0 318.402 2.089 10 30 DEEERN Cc1nc(C)n([C@@H]2CCCN(c3c(C#N)cccc3C#N)C2)n1 ZINC000369337409 302581716 /nfs/dbraw/zinc/58/17/16/302581716.db2.gz CDSGXKHQMUUPMZ-MRXNPFEDSA-N 0 0 306.373 2.480 10 30 DEEERN N#C[C@@H]1COCCN1C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000183367276 303162461 /nfs/dbraw/zinc/16/24/61/303162461.db2.gz DKEIGFNDCXTZNE-HTAVTVPLSA-N 0 0 304.312 2.496 10 30 DEEERN N#Cc1cc(F)c(N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c(F)c1 ZINC000408171535 303182127 /nfs/dbraw/zinc/18/21/27/303182127.db2.gz KNOCRSVCZSARHM-NILFDRSVSA-N 0 0 308.328 2.203 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000163184147 325705287 /nfs/dbraw/zinc/70/52/87/325705287.db2.gz UTJSLKHNUZDTOC-UHFFFAOYSA-N 0 0 312.304 2.173 10 30 DEEERN Cc1ccc(CCNC(=O)NCCOc2ccc(C#N)cc2)cn1 ZINC000176633955 325749797 /nfs/dbraw/zinc/74/97/97/325749797.db2.gz IHEZMMKXANVZOQ-UHFFFAOYSA-N 0 0 324.384 2.182 10 30 DEEERN C=CCn1c(CC)nnc1N1CCN(CC(F)F)[C@@H](CC)C1 ZINC000558673885 331933762 /nfs/dbraw/zinc/93/37/62/331933762.db2.gz XFKXOQKEMNQILS-LBPRGKRZSA-N 0 0 313.396 2.192 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCN(CC(F)F)[C@H](CC)C1 ZINC000245714189 332500347 /nfs/dbraw/zinc/50/03/47/332500347.db2.gz GEYAPWIELZYKDP-QWHCGFSZSA-N 0 0 304.381 2.156 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000566674841 332525369 /nfs/dbraw/zinc/52/53/69/332525369.db2.gz OFQZCEASASNNAU-YUTCNCBUSA-N 0 0 324.812 2.084 10 30 DEEERN C=C(C)Cn1c(N2CC[C@H](OC)C2)nnc1[C@]1(C)CCCO1 ZINC000562785048 332625960 /nfs/dbraw/zinc/62/59/60/332625960.db2.gz VAWNRDVCCWMRDF-BBRMVZONSA-N 0 0 306.410 2.105 10 30 DEEERN C=C(C)Cn1c(N2CC[C@H](OC)C2)nnc1[C@@]1(C)CCCO1 ZINC000562785049 332625963 /nfs/dbraw/zinc/62/59/63/332625963.db2.gz VAWNRDVCCWMRDF-XJKSGUPXSA-N 0 0 306.410 2.105 10 30 DEEERN C=CCC1(C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)CCOCC1 ZINC000580315802 333103627 /nfs/dbraw/zinc/10/36/27/333103627.db2.gz LWAXKMLPUZLFGK-HNNXBMFYSA-N 0 0 317.433 2.184 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnn(-c2ccccc2F)c1 ZINC000582057997 333193234 /nfs/dbraw/zinc/19/32/34/333193234.db2.gz LVMWZDRWJUEGFC-LRDDRELGSA-N 0 0 315.348 2.332 10 30 DEEERN COC(=O)C1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000187115078 333227733 /nfs/dbraw/zinc/22/77/33/333227733.db2.gz ZXASTOOYWDZBOT-UHFFFAOYSA-N 0 0 312.369 2.001 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2C[C@H](OCC)[C@@H]2n2cccn2)CCC1 ZINC000342134254 334513065 /nfs/dbraw/zinc/51/30/65/334513065.db2.gz YFMDJIVFRGTUEQ-QLFBSQMISA-N 0 0 303.406 2.464 10 30 DEEERN C=CCCn1cc(C(=O)N2CCO[C@@H](c3ccsc3)C2)nn1 ZINC000583495748 335425972 /nfs/dbraw/zinc/42/59/72/335425972.db2.gz TWHYICUPWSVKOH-CQSZACIVSA-N 0 0 318.402 2.129 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NC3(C4CC4)CC3)cc2C1=O ZINC000532116712 335901663 /nfs/dbraw/zinc/90/16/63/335901663.db2.gz BTPQKQHJAQMTBJ-UHFFFAOYSA-N 0 0 310.353 2.141 10 30 DEEERN C=CCn1cc(CNC(=O)NC2CCC(C(F)F)CC2)nn1 ZINC000583627300 336000168 /nfs/dbraw/zinc/00/01/68/336000168.db2.gz KEQYSYHPYABWNX-UHFFFAOYSA-N 0 0 313.352 2.087 10 30 DEEERN COc1ccc(-n2nc(C(=O)N[C@@H](C#N)C3CC3)cc2C)cc1 ZINC000180200247 337175265 /nfs/dbraw/zinc/17/52/65/337175265.db2.gz QGSWCWGQLUBZJB-INIZCTEOSA-N 0 0 310.357 2.221 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@]1(C)CCO[C@@H]1C1CC1 ZINC000582842240 337208061 /nfs/dbraw/zinc/20/80/61/337208061.db2.gz MRWJRKPFCZZJIA-MPTYRVRUSA-N 0 0 308.422 2.082 10 30 DEEERN C=CCCCS(=O)(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583239300 337283561 /nfs/dbraw/zinc/28/35/61/337283561.db2.gz DFUBRDBIWSBEJX-UHFFFAOYSA-N 0 0 310.375 2.249 10 30 DEEERN C=CCN1C[C@@H]2CON[C@@]2(c2cccc(Br)c2)C1 ZINC000584641337 337380058 /nfs/dbraw/zinc/38/00/58/337380058.db2.gz QSOHAMAQPPMRRN-TZMCWYRMSA-N 0 0 309.207 2.297 10 30 DEEERN N#Cc1cc(N)cnc1N1CCC(OC(=O)c2ccccc2)CC1 ZINC000584645529 337380321 /nfs/dbraw/zinc/38/03/21/337380321.db2.gz WKVLCDLZHZBOPL-UHFFFAOYSA-N 0 0 322.368 2.361 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CSc2ccccc2O1 ZINC000571924403 337581995 /nfs/dbraw/zinc/58/19/95/337581995.db2.gz QPXNKJQKYKVYQJ-XQQFMLRXSA-N 0 0 305.399 2.247 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CCO[C@@H](COCC)C1 ZINC000528293909 337799990 /nfs/dbraw/zinc/79/99/90/337799990.db2.gz HHBYSAFOMKRZJT-OAHLLOKOSA-N 0 0 322.453 2.294 10 30 DEEERN C=CCOc1ccccc1CN1CC[C@@H](CS(C)(=O)=O)C1 ZINC000430222919 338102059 /nfs/dbraw/zinc/10/20/59/338102059.db2.gz GXJKFKMJJMMINC-CQSZACIVSA-N 0 0 309.431 2.118 10 30 DEEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCO[C@H](C#N)C1 ZINC000521226417 340483962 /nfs/dbraw/zinc/48/39/62/340483962.db2.gz QRZUISCLHFWPNS-OLZOCXBDSA-N 0 0 319.434 2.151 10 30 DEEERN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N[C@@H](C#N)C1CC1 ZINC000191446401 340554333 /nfs/dbraw/zinc/55/43/33/340554333.db2.gz LNJQMPFFVFGQRK-ZDUSSCGKSA-N 0 0 316.311 2.491 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CCN(c2cccnn2)CC1 ZINC000195053649 340573429 /nfs/dbraw/zinc/57/34/29/340573429.db2.gz RXXKFUZFRHTWLY-UHFFFAOYSA-N 0 0 324.384 2.004 10 30 DEEERN C=CCn1cc(CNC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)nn1 ZINC000529501412 340758041 /nfs/dbraw/zinc/75/80/41/340758041.db2.gz GVGNLVMGCQHDBV-CVEARBPZSA-N 0 0 314.364 2.413 10 30 DEEERN C=C[C@](C)(CC)C(=O)NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000135108380 341231098 /nfs/dbraw/zinc/23/10/98/341231098.db2.gz FNEODUFSTPTGSO-QGZVFWFLSA-N 0 0 314.389 2.494 10 30 DEEERN CC1(C#N)CCN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC000548176696 341251789 /nfs/dbraw/zinc/25/17/89/341251789.db2.gz GQBPJMTWWKQESK-ZDUSSCGKSA-N 0 0 317.393 2.077 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)cc1 ZINC000137654641 341277705 /nfs/dbraw/zinc/27/77/05/341277705.db2.gz TTXWMBPJLDNNQL-HZPDHXFCSA-N 0 0 316.401 2.415 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CCO[C@]2(CCOC2)C1 ZINC000548852619 341278113 /nfs/dbraw/zinc/27/81/13/341278113.db2.gz OSASDLUNHGVYII-QGZVFWFLSA-N 0 0 320.437 2.048 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N1CC[C@@H](Oc2ccccn2)C1 ZINC000549255768 341289710 /nfs/dbraw/zinc/28/97/10/341289710.db2.gz AXOJLFSSAVZLTH-CQSZACIVSA-N 0 0 313.405 2.469 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)c1cc(=O)[nH]c(N(C)C)n1 ZINC000549310791 341290851 /nfs/dbraw/zinc/29/08/51/341290851.db2.gz NZWQPJSNCFPVMM-UHFFFAOYSA-N 0 0 318.421 2.457 10 30 DEEERN C=CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCC[C@H]21 ZINC000564376641 341333607 /nfs/dbraw/zinc/33/36/07/341333607.db2.gz GTSUQNTUMZMJOZ-LSDHHAIUSA-N 0 0 312.421 2.314 10 30 DEEERN C=CC1CCN(c2nnc([C@@H]3COCCO3)n2CC(C)C)CC1 ZINC000564740044 341508097 /nfs/dbraw/zinc/50/80/97/341508097.db2.gz BNHHDZCZZLXUQX-HNNXBMFYSA-N 0 0 320.437 2.424 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N(C)Cc1cnc(C)s1 ZINC000565903790 341542038 /nfs/dbraw/zinc/54/20/38/341542038.db2.gz KIYPVCFPCVWCQA-UHFFFAOYSA-N 0 0 309.435 2.273 10 30 DEEERN C=CCCCCCNC(=O)N1CCC(S(=O)(=O)CC)CC1 ZINC000566434772 341558015 /nfs/dbraw/zinc/55/80/15/341558015.db2.gz HUAGTKQGMFJHIO-UHFFFAOYSA-N 0 0 316.467 2.342 10 30 DEEERN C=CCCCCCNC(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000566434951 341558024 /nfs/dbraw/zinc/55/80/24/341558024.db2.gz KIRMTDMDNKOHGW-HUUCEWRRSA-N 0 0 307.438 2.433 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](c1ccccc1F)[C@@H](C)O ZINC000568016632 341645688 /nfs/dbraw/zinc/64/56/88/341645688.db2.gz KMLPYGZZTDMLSF-BQDHKBFISA-N 0 0 322.380 2.280 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3C=CCCC3)cc2C1=O ZINC000158243478 341654003 /nfs/dbraw/zinc/65/40/03/341654003.db2.gz ZENMBDIIFGVWPY-CYBMUJFWSA-N 0 0 310.353 2.307 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000568742507 341680114 /nfs/dbraw/zinc/68/01/14/341680114.db2.gz SJCYSFFIQAGUKB-WPRPVWTQSA-N 0 0 316.279 2.127 10 30 DEEERN C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N2CCOC[C@@H]2C#N)o1 ZINC000370065641 533746169 /nfs/dbraw/zinc/74/61/69/533746169.db2.gz NYJJGBJQLDNDGG-HTOAHKCRSA-N 0 0 300.358 2.257 10 30 DEEERN Cc1c(F)cccc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000377947878 533887963 /nfs/dbraw/zinc/88/79/63/533887963.db2.gz GZUWYXKQAOXNNJ-ZDUSSCGKSA-N 0 0 302.353 2.338 10 30 DEEERN C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000328986085 534168199 /nfs/dbraw/zinc/16/81/99/534168199.db2.gz ZVPVMLVQAUNZKJ-WCFLWFBJSA-N 0 0 312.435 2.212 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCCC1CCOCC1 ZINC000454911465 534320038 /nfs/dbraw/zinc/32/00/38/534320038.db2.gz YAWGSVJORBFQPD-HOTGVXAUSA-N 0 0 310.438 2.474 10 30 DEEERN C=CCn1c(COCC)nnc1N1CCC[C@H](COC)CC1 ZINC000453441979 534439895 /nfs/dbraw/zinc/43/98/95/534439895.db2.gz LQUVBVULNKQJAQ-AWEZNQCLSA-N 0 0 308.426 2.254 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)c1cnn3ccncc13)CCC2 ZINC000329402683 534510782 /nfs/dbraw/zinc/51/07/82/534510782.db2.gz YMGPCLJTGPTWJR-LBPRGKRZSA-N 0 0 310.361 2.116 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1n1cccn1 ZINC000455091976 534703604 /nfs/dbraw/zinc/70/36/04/534703604.db2.gz CJYWNZMVNDUZGW-RBSFLKMASA-N 0 0 306.410 2.209 10 30 DEEERN COc1ccc(C=NNC2=NC(=O)[C@@H](C(C)C)S2)cc1OC ZINC000006200929 523444987 /nfs/dbraw/zinc/44/49/87/523444987.db2.gz DNHYWLKRCKJISG-WJHGTXIHSA-N 0 0 321.402 2.281 10 30 DEEERN C=CCC[C@@H](NC(=O)c1cn2ccnc2s1)C(=O)OCC ZINC000456599993 534795015 /nfs/dbraw/zinc/79/50/15/534795015.db2.gz DBWGTMZKADXBRX-SNVBAGLBSA-N 0 0 307.375 2.024 10 30 DEEERN C=CCN(CCCC(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000294853878 526274115 /nfs/dbraw/zinc/27/41/15/526274115.db2.gz CLAOCYXKYIWYRP-INIZCTEOSA-N 0 0 321.442 2.325 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)CO[C@@H](C)c1nccn1C ZINC000355808844 526317266 /nfs/dbraw/zinc/31/72/66/526317266.db2.gz CQGVYKTYCOCLSO-AWEZNQCLSA-N 0 0 317.389 2.348 10 30 DEEERN CC#CCN(C)C(=O)c1nc(-c2ccc(Cl)cc2)nn1C ZINC000296603397 526356455 /nfs/dbraw/zinc/35/64/55/526356455.db2.gz OSEHZUOZTOMQLT-UHFFFAOYSA-N 0 0 302.765 2.231 10 30 DEEERN C=CCN(c1nnc([C@H]2COCCO2)n1CC(=C)C)C1CC1 ZINC000293080177 526386877 /nfs/dbraw/zinc/38/68/77/526386877.db2.gz SPCSHRSYYSNVPF-CQSZACIVSA-N 0 0 304.394 2.097 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)c2oc(CC(C)C)nc2C)C1=O ZINC000337048617 526467947 /nfs/dbraw/zinc/46/79/47/526467947.db2.gz HSTYDSJOQXVCCI-CYBMUJFWSA-N 0 0 319.405 2.040 10 30 DEEERN C=CCN1CC[C@@H](N2CCCN(c3ccccc3F)CC2)C1=O ZINC000375837176 526478156 /nfs/dbraw/zinc/47/81/56/526478156.db2.gz FWJSACBHUWWSEQ-QGZVFWFLSA-N 0 0 317.408 2.125 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)Nc1cccc(Cl)c1C(=O)OC ZINC000411353896 526482589 /nfs/dbraw/zinc/48/25/89/526482589.db2.gz NPPAYXDFAJIZOF-UHFFFAOYSA-N 0 0 324.764 2.100 10 30 DEEERN C=C(C)CN(C)C(=O)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000180465843 526496021 /nfs/dbraw/zinc/49/60/21/526496021.db2.gz PIYKFLFIFCERSG-HNNXBMFYSA-N 0 0 301.390 2.111 10 30 DEEERN C=CCN1CC[C@H](N(C)c2cc(C)nc(-c3ccccn3)n2)C1=O ZINC000281730805 526504090 /nfs/dbraw/zinc/50/40/90/526504090.db2.gz DNHOTHJFLPOLHC-HNNXBMFYSA-N 0 0 323.400 2.070 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000298001124 526510306 /nfs/dbraw/zinc/51/03/06/526510306.db2.gz YVURFFBICQCKTP-UHFFFAOYSA-N 0 0 309.797 2.118 10 30 DEEERN C=CCNC(=O)Cc1noc(-c2coc3cc(F)ccc32)n1 ZINC000346962815 526579576 /nfs/dbraw/zinc/57/95/76/526579576.db2.gz NTFPIBMPXFDRPS-UHFFFAOYSA-N 0 0 301.277 2.467 10 30 DEEERN C=C(C)CNC(=O)C1(NC(=O)c2c(C)nn(C)c2C)CCCC1 ZINC000331169842 526610913 /nfs/dbraw/zinc/61/09/13/526610913.db2.gz FJJAYQSDUXDLFS-UHFFFAOYSA-N 0 0 318.421 2.347 10 30 DEEERN N#Cc1ccc(NC(=O)CN2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000154692467 526650919 /nfs/dbraw/zinc/65/09/19/526650919.db2.gz FXHIZNUXVNWIJJ-KRWDZBQOSA-N 0 0 322.368 2.045 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000287749988 526670031 /nfs/dbraw/zinc/67/00/31/526670031.db2.gz PEJIEPKIUKRXTG-UHFFFAOYSA-N 0 0 303.402 2.230 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000288244148 526673592 /nfs/dbraw/zinc/67/35/92/526673592.db2.gz BDZNQJKJVKBBLK-HNNXBMFYSA-N 0 0 307.752 2.292 10 30 DEEERN C#CCCCS(=O)(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000367901960 526720998 /nfs/dbraw/zinc/72/09/98/526720998.db2.gz NYJXAFZYDHMTBW-HOTGVXAUSA-N 0 0 307.415 2.097 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CC[C@@H](C(N)=O)c2ccccc21)OCC ZINC000340426068 526745148 /nfs/dbraw/zinc/74/51/48/526745148.db2.gz GHFSXIVNGNFFHJ-GDBMZVCRSA-N 0 0 316.401 2.364 10 30 DEEERN C=C(C)[C@@H](Cc1nc(-c2ccc(CC(N)=O)cc2)no1)OCC ZINC000357151713 526753242 /nfs/dbraw/zinc/75/32/42/526753242.db2.gz WYCFDUPZUXGXJZ-CQSZACIVSA-N 0 0 315.373 2.288 10 30 DEEERN C=CCOCCNC(=O)N[C@@H](C)c1nccn1-c1ccccc1 ZINC000376412311 526777969 /nfs/dbraw/zinc/77/79/69/526777969.db2.gz YKIWOBUXVUEJEK-AWEZNQCLSA-N 0 0 314.389 2.435 10 30 DEEERN C=CCOCCNC(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000371641343 526778222 /nfs/dbraw/zinc/77/82/22/526778222.db2.gz FMCMRAAVRLSTOL-CVEARBPZSA-N 0 0 304.390 2.266 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@H](C)c2c(F)cccc2OC)C1=O ZINC000348575997 526800350 /nfs/dbraw/zinc/80/03/50/526800350.db2.gz SAXICNXFOWHLGS-PWSUYJOCSA-N 0 0 322.336 2.018 10 30 DEEERN C=CC1CCN(C(=O)N[C@@H](CC(=O)NC)c2ccccc2)CC1 ZINC000431097082 526966217 /nfs/dbraw/zinc/96/62/17/526966217.db2.gz AIAGNEUPBQXRGM-INIZCTEOSA-N 0 0 315.417 2.471 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@@H](CC)Oc1cccc(F)c1 ZINC000183671399 527089810 /nfs/dbraw/zinc/08/98/10/527089810.db2.gz SOPGKAIMISYYJN-UONOGXRCSA-N 0 0 310.369 2.219 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc([C@@H](C)C(=O)OC)cc1 ZINC000417394266 527095645 /nfs/dbraw/zinc/09/56/45/527095645.db2.gz PUKCHTBJLQQOTQ-RISCZKNCSA-N 0 0 306.362 2.022 10 30 DEEERN C#CCOc1ccccc1CN1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000246892382 527125827 /nfs/dbraw/zinc/12/58/27/527125827.db2.gz UCKBIRYWPBGABP-ZIFCJYIRSA-N 0 0 315.413 2.467 10 30 DEEERN C=CCCCCNC(=O)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000341425116 527142409 /nfs/dbraw/zinc/14/24/09/527142409.db2.gz NJAXHZSVKSPQMF-HNNXBMFYSA-N 0 0 301.390 2.121 10 30 DEEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1cc(OC)cc(OC)c1C ZINC000337568080 527143423 /nfs/dbraw/zinc/14/34/23/527143423.db2.gz XPBYDRSQOLDBBA-LBPRGKRZSA-N 0 0 320.389 2.422 10 30 DEEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1cnc(C)nc1C1CC1 ZINC000411485408 527143815 /nfs/dbraw/zinc/14/38/15/527143815.db2.gz APGHMAZSUKLPFE-LBPRGKRZSA-N 0 0 302.378 2.072 10 30 DEEERN C=CC[C@H](CC)NC(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000341436177 527154120 /nfs/dbraw/zinc/15/41/20/527154120.db2.gz SDPRSEJHIWLNIP-ZFWWWQNUSA-N 0 0 321.396 2.124 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCCC(=O)NCCC ZINC000287478612 527160483 /nfs/dbraw/zinc/16/04/83/527160483.db2.gz XIXAOXBCCMIRRY-KRWDZBQOSA-N 0 0 314.429 2.434 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)CC(C)(C)CC#N ZINC000296237211 527162117 /nfs/dbraw/zinc/16/21/17/527162117.db2.gz XKXJQNKZCZNCAP-INIZCTEOSA-N 0 0 318.442 2.480 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)CC(C)(C)O ZINC000298123024 527172590 /nfs/dbraw/zinc/17/25/90/527172590.db2.gz YEZZANHLWFWNII-GOEBONIOSA-N 0 0 302.418 2.470 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(CCOC)[C@H]1CC[C@@H](C)C1 ZINC000410932761 527174220 /nfs/dbraw/zinc/17/42/20/527174220.db2.gz YZFGUNNHXHWHMF-CABCVRRESA-N 0 0 310.438 2.075 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCC1(c2cccc(F)c2)CC1 ZINC000288228203 527175829 /nfs/dbraw/zinc/17/58/29/527175829.db2.gz SKZKPXZFEFGPHR-UHFFFAOYSA-N 0 0 318.392 2.398 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000344335131 527200354 /nfs/dbraw/zinc/20/03/54/527200354.db2.gz RENWQAPLULHFOS-VPWBDBDCSA-N 0 0 304.390 2.176 10 30 DEEERN C=CCCCNC(=O)C(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000288494587 527202583 /nfs/dbraw/zinc/20/25/83/527202583.db2.gz DJCVXZJLEHVHFP-UHFFFAOYSA-N 0 0 321.446 2.063 10 30 DEEERN C=CCCCNC(=O)C(=O)NCc1ccc2[nH]c(C)c(C)c2c1 ZINC000355696329 527207175 /nfs/dbraw/zinc/20/71/75/527207175.db2.gz LZKJEALTZGFABD-UHFFFAOYSA-N 0 0 313.401 2.483 10 30 DEEERN C=CCCCNC(=O)CNC(=O)c1cc2c(s1)CCCC2 ZINC000344480753 527213301 /nfs/dbraw/zinc/21/33/01/527213301.db2.gz MQNKIQDYMIETPX-UHFFFAOYSA-N 0 0 306.431 2.439 10 30 DEEERN C=CCn1c(C2CCC2)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC000282541605 527308950 /nfs/dbraw/zinc/30/89/50/527308950.db2.gz IBQAELVWXNBSKC-AWEZNQCLSA-N 0 0 312.421 2.459 10 30 DEEERN C=CCCN(C)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000342241903 527312278 /nfs/dbraw/zinc/31/22/78/527312278.db2.gz VGNPWTVOIQCCGD-ZBFHGGJFSA-N 0 0 315.417 2.394 10 30 DEEERN C=CCCOCCNC(=O)C(=O)NCC1(C)CCC(C)CC1 ZINC000342021763 527340147 /nfs/dbraw/zinc/34/01/47/527340147.db2.gz OTJLYXIZDMOIHS-UHFFFAOYSA-N 0 0 310.438 2.028 10 30 DEEERN C=CCn1c2ccccc2nc1S[C@@H]1CON(CC)C1=O ZINC000412975578 527361815 /nfs/dbraw/zinc/36/18/15/527361815.db2.gz GBOIUPBWGHDJKA-CYBMUJFWSA-N 0 0 303.387 2.477 10 30 DEEERN C=CCCS(=O)(=O)N1CCC(Nc2nc(C)cs2)CC1 ZINC000364207988 527405893 /nfs/dbraw/zinc/40/58/93/527405893.db2.gz PZUIFYOWWFWDGC-UHFFFAOYSA-N 0 0 315.464 2.234 10 30 DEEERN C=CCC[C@@H](C(=O)N1CC(=O)N(C)[C@@H](C)C1)c1ccccc1 ZINC000337687265 527422647 /nfs/dbraw/zinc/42/26/47/527422647.db2.gz JQNLTIYDWNQHPC-GOEBONIOSA-N 0 0 300.402 2.426 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)C[C@H](O)CC2CCCC2)c1 ZINC000190402640 527450524 /nfs/dbraw/zinc/45/05/24/527450524.db2.gz XNVHWZIPAUWOTM-GOSISDBHSA-N 0 0 314.429 2.479 10 30 DEEERN C=CCC[C@H](NC(=O)N1CCO[C@@H]([C@@H](C)O)C1)c1ccccc1 ZINC000413403467 527476184 /nfs/dbraw/zinc/47/61/84/527476184.db2.gz OBCXFZZJJAUDFT-HYVNUMGLSA-N 0 0 318.417 2.485 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1COC ZINC000425397211 527495576 /nfs/dbraw/zinc/49/55/76/527495576.db2.gz QZFKTLCDNHEMGY-HOCLYGCPSA-N 0 0 304.390 2.223 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)OCc1cccc(OC)c1 ZINC000424929597 527495634 /nfs/dbraw/zinc/49/56/34/527495634.db2.gz BWCZDPIZKBYSEC-KMFMINBZSA-N 0 0 319.401 2.308 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N(C)Cc1cc[nH]n1 ZINC000337501456 527497593 /nfs/dbraw/zinc/49/75/93/527497593.db2.gz DBUCOBUDADDVLC-UHFFFAOYSA-N 0 0 312.373 2.125 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CCN(CC(F)F)[C@H](CC)C1 ZINC000353445116 527527410 /nfs/dbraw/zinc/52/74/10/527527410.db2.gz GJTNUJPKNXAKMA-CJNGLKHVSA-N 0 0 318.408 2.403 10 30 DEEERN C=CCCn1cc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)nn1 ZINC000424647810 527528982 /nfs/dbraw/zinc/52/89/82/527528982.db2.gz RGOYYDMBOWMMMU-NSHDSACASA-N 0 0 300.366 2.274 10 30 DEEERN C=CCN(C)C(=O)C(=O)N(CCC)[C@H]1CCCc2cccnc21 ZINC000410949764 527554257 /nfs/dbraw/zinc/55/42/57/527554257.db2.gz YKGZPDVOGKWKBH-HNNXBMFYSA-N 0 0 315.417 2.342 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)C(=O)NCC[C@H]1CCOC1 ZINC000356784775 527594452 /nfs/dbraw/zinc/59/44/52/527594452.db2.gz BRFNFIAIDUMQRB-INIZCTEOSA-N 0 0 322.449 2.124 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000188528244 527615244 /nfs/dbraw/zinc/61/52/44/527615244.db2.gz WPRFAURPZBZAKO-RHSMWYFYSA-N 0 0 321.421 2.388 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCC(Oc2cnccn2)CC1 ZINC000369683794 527615404 /nfs/dbraw/zinc/61/54/04/527615404.db2.gz PBTAOLXRZJUHFR-QGZVFWFLSA-N 0 0 319.405 2.075 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NCCCc1nc(C(C)C)no1 ZINC000437815701 527618266 /nfs/dbraw/zinc/61/82/66/527618266.db2.gz PRTGNNBZBULTGT-MRXNPFEDSA-N 0 0 309.410 2.471 10 30 DEEERN CCCN(CC#N)S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000192621475 527881412 /nfs/dbraw/zinc/88/14/12/527881412.db2.gz NGFBWYXXCRPZPA-UHFFFAOYSA-N 0 0 308.403 2.324 10 30 DEEERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCC1(CC#N)CC1)CC2 ZINC000373824093 528322025 /nfs/dbraw/zinc/32/20/25/528322025.db2.gz PMDBRJNDNVXEKA-LBPRGKRZSA-N 0 0 300.406 2.448 10 30 DEEERN CC1(C#N)CCN(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 ZINC000373119437 528837848 /nfs/dbraw/zinc/83/78/48/528837848.db2.gz AUXHHWMOWRAMLY-CQSZACIVSA-N 0 0 317.393 2.220 10 30 DEEERN CC1(C)CCCN(C(=O)c2ccc(-n3cncn3)cc2)[C@@H]1C#N ZINC000408392786 528931010 /nfs/dbraw/zinc/93/10/10/528931010.db2.gz CUCHQQVTCUQEAL-OAHLLOKOSA-N 0 0 309.373 2.422 10 30 DEEERN CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC[C@@H](C)C1 ZINC000358592081 535957257 /nfs/dbraw/zinc/95/72/57/535957257.db2.gz JBXRGDXTQGKQNH-ZDUSSCGKSA-N 0 0 311.389 2.309 10 30 DEEERN CCn1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)ccc1=O ZINC000188453728 536078553 /nfs/dbraw/zinc/07/85/53/536078553.db2.gz LYBCRIJJEZOYCX-UHFFFAOYSA-N 0 0 307.353 2.410 10 30 DEEERN COCCCNC(=O)[C@H](C#N)C(=O)C[C@@H](C)C1CCCCC1 ZINC000102117694 649925643 /nfs/dbraw/zinc/92/56/43/649925643.db2.gz GPUJJXBITFRWAQ-UKRRQHHQSA-N 0 0 308.422 2.454 10 30 DEEERN C#CCCCCNC(=O)C(=O)Nc1ccnn1C1CCCCC1 ZINC000159043255 625329315 /nfs/dbraw/zinc/32/93/15/625329315.db2.gz OCOVBYTVQJGGIB-UHFFFAOYSA-N 0 0 316.405 2.247 10 30 DEEERN Cn1cc(C#N)cc1C(=O)O[C@@H]([C@@H]1CCCO1)C(F)(F)F ZINC000158803329 625332072 /nfs/dbraw/zinc/33/20/72/625332072.db2.gz AFRXMLSPJDKGNP-QWRGUYRKSA-N 0 0 302.252 2.163 10 30 DEEERN C#CC[C@@H](OC(=O)c1cn(CC(=O)C(C)(C)C)nn1)C(C)C ZINC000178285221 625496617 /nfs/dbraw/zinc/49/66/17/625496617.db2.gz YUGDGTHDGNCPDU-CYBMUJFWSA-N 0 0 305.378 2.098 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)OCCNc1ncccc1C#N ZINC000187592932 622839815 /nfs/dbraw/zinc/83/98/15/622839815.db2.gz VKKMZZIBEHXOQH-MRXNPFEDSA-N 0 0 303.362 2.137 10 30 DEEERN CC(=O)Nc1ccc(C(C)=NOC[C@@H](O)COC(C)C)cc1 ZINC000255741836 625646957 /nfs/dbraw/zinc/64/69/57/625646957.db2.gz RGVUPSCQVIIVPJ-INIZCTEOSA-N 0 0 308.378 2.172 10 30 DEEERN N#CC(C(=O)N1CCCC1)=C(O)C=Cc1ccnc(Cl)c1 ZINC000255560785 625092325 /nfs/dbraw/zinc/09/23/25/625092325.db2.gz KQJHRKQQFNOIQF-MVZIDQBPSA-N 0 0 303.749 2.079 10 30 DEEERN C=CCCCOC(=O)CCNS(=O)(=O)c1ccccc1F ZINC000157841500 625235352 /nfs/dbraw/zinc/23/53/52/625235352.db2.gz CIXHPEFEMOHBCO-UHFFFAOYSA-N 0 0 315.366 2.004 10 30 DEEERN Cc1c(C(=O)N[C@H](C#N)C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000161903448 625240261 /nfs/dbraw/zinc/24/02/61/625240261.db2.gz SNRJJTDRARVGFY-LLVKDONJSA-N 0 0 318.289 2.152 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1cc(C(C)(C)C)ccc1OC ZINC000733673292 633262753 /nfs/dbraw/zinc/26/27/53/633262753.db2.gz WEJWTBXAPKMLSV-UHFFFAOYSA-N 0 0 302.374 2.071 10 30 DEEERN C=C(COC(=O)Cc1c(C)nn(C(F)F)c1C)C(=O)OCC ZINC000734030149 633313543 /nfs/dbraw/zinc/31/35/43/633313543.db2.gz WHYFGZDYXHXDTM-UHFFFAOYSA-N 0 0 316.304 2.100 10 30 DEEERN C=C(COC(=O)c1cccc(C(=O)N(C)CC)c1)C(=O)OCC ZINC000734032997 633314009 /nfs/dbraw/zinc/31/40/09/633314009.db2.gz PBZPJUSOOCKBMF-UHFFFAOYSA-N 0 0 319.357 2.055 10 30 DEEERN C=CC[C@@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)c1ccncc1 ZINC000734515124 633377818 /nfs/dbraw/zinc/37/78/18/633377818.db2.gz HCACHKHIJUCGMM-CQSZACIVSA-N 0 0 320.352 2.365 10 30 DEEERN C=CC[C@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)c1ccncc1 ZINC000734515123 633377851 /nfs/dbraw/zinc/37/78/51/633377851.db2.gz HCACHKHIJUCGMM-AWEZNQCLSA-N 0 0 320.352 2.365 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)C[C@H](C)n1cccc1 ZINC000735039832 633452116 /nfs/dbraw/zinc/45/21/16/633452116.db2.gz TZAVBLMQNRQHDI-AWEZNQCLSA-N 0 0 309.369 2.441 10 30 DEEERN C=C(Cl)CNC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 ZINC000736238489 633579610 /nfs/dbraw/zinc/57/96/10/633579610.db2.gz JJMCEMBEKPASDB-UHFFFAOYSA-N 0 0 309.753 2.086 10 30 DEEERN C=C(Cl)CNC(=O)N1CCC(C(=O)N(CC)CC)CC1 ZINC000736399725 633618149 /nfs/dbraw/zinc/61/81/49/633618149.db2.gz AKWSGZMZPJHDCM-UHFFFAOYSA-N 0 0 301.818 2.029 10 30 DEEERN C=C(Br)COC(=O)c1cccc(-n2cncn2)c1 ZINC000172098799 636719732 /nfs/dbraw/zinc/71/97/32/636719732.db2.gz MFDHMZVYRXNTNG-UHFFFAOYSA-N 0 0 308.135 2.333 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)N(C)CCc2ccc(F)cc2)c1 ZINC000067397387 637518226 /nfs/dbraw/zinc/51/82/26/637518226.db2.gz KLGYPYBIOGFCII-UHFFFAOYSA-N 0 0 324.355 2.447 10 30 DEEERN COC(=O)c1coc(C(=O)OCC#Cc2cccc(OC)c2)c1 ZINC000185283675 637598101 /nfs/dbraw/zinc/59/81/01/637598101.db2.gz VGHGVLRRNDGAFP-UHFFFAOYSA-N 0 0 314.293 2.283 10 30 DEEERN C=C(Cl)CNC(=O)N1CCN(c2ncc(CC)s2)CC1 ZINC000743620831 638162209 /nfs/dbraw/zinc/16/22/09/638162209.db2.gz SJRYLLGWRGEYFG-UHFFFAOYSA-N 0 0 314.842 2.290 10 30 DEEERN Brc1ccc(N=NCc2cnc3cnccn23)nc1 ZINC000746370250 638338619 /nfs/dbraw/zinc/33/86/19/638338619.db2.gz KGHAXTZCJZNJEA-UHFFFAOYSA-N 0 0 317.150 2.333 10 30 DEEERN COc1ccc(CNC(=O)Cn2cnc3ccccc32)cc1C#N ZINC000747446606 638438791 /nfs/dbraw/zinc/43/87/91/638438791.db2.gz CBUDZRGJBYBZKW-UHFFFAOYSA-N 0 0 320.352 2.233 10 30 DEEERN C[C@H]1C(=O)N(Cc2cc(Cl)ccc2OCC#N)C(=O)[C@H]1C ZINC000747864469 638485603 /nfs/dbraw/zinc/48/56/03/638485603.db2.gz XNMTYDLSTOHYHY-AOOOYVTPSA-N 0 0 306.749 2.383 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](C)Cn1cccn1 ZINC000804969702 638629669 /nfs/dbraw/zinc/62/96/69/638629669.db2.gz MWJFKJNMXRWZSZ-FUHWJXTLSA-N 0 0 324.428 2.453 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)Cc1cccc(C#N)c1 ZINC000750432585 638744961 /nfs/dbraw/zinc/74/49/61/638744961.db2.gz HRMKWSSMHQMIPU-AWEZNQCLSA-N 0 0 314.385 2.457 10 30 DEEERN C#CCN(CC#C)C(=O)[C@@H]1CCN(c2ccc(C(C)C)cc2)C1=O ZINC000752150100 639159173 /nfs/dbraw/zinc/15/91/73/639159173.db2.gz KAQCSRGNUGTJHP-SFHVURJKSA-N 0 0 322.408 2.258 10 30 DEEERN C=C(C)COC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000752169390 639159895 /nfs/dbraw/zinc/15/98/95/639159895.db2.gz VFHHWIKVMRJFDK-LBPRGKRZSA-N 0 0 311.403 2.160 10 30 DEEERN C=CCOc1ccc(C(=O)O[C@H]2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000752208561 639163583 /nfs/dbraw/zinc/16/35/83/639163583.db2.gz AZZAYYBNLMFDGJ-LSDHHAIUSA-N 0 0 324.398 2.374 10 30 DEEERN C=CCOc1ccc(C(=O)O[C@H]2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC000752208556 639163811 /nfs/dbraw/zinc/16/38/11/639163811.db2.gz AZZAYYBNLMFDGJ-GJZGRUSLSA-N 0 0 324.398 2.374 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)NCC[C@H]1CCOC1 ZINC000752658213 639206067 /nfs/dbraw/zinc/20/60/67/639206067.db2.gz DOJKWXCTZWNZAX-LBPRGKRZSA-N 0 0 306.337 2.386 10 30 DEEERN Cc1cc(N)cc(C)c1C=NNS(=O)(=O)c1ccccc1 ZINC000752719332 639211330 /nfs/dbraw/zinc/21/13/30/639211330.db2.gz WPKNCOVKTUBMGS-UHFFFAOYSA-N 0 0 303.387 2.198 10 30 DEEERN C#Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cn1 ZINC000728805162 639414113 /nfs/dbraw/zinc/41/41/13/639414113.db2.gz RKIBRCHHKGDKFW-CYBMUJFWSA-N 0 0 317.352 2.135 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1nc(C)no1 ZINC000805186124 640110437 /nfs/dbraw/zinc/11/04/37/640110437.db2.gz ZMHVIXUOBICJGH-DOMZBBRYSA-N 0 0 312.373 2.373 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)CCC(=O)c1ccc(CC)cc1 ZINC000729344519 640489297 /nfs/dbraw/zinc/48/92/97/640489297.db2.gz DRZDPDLZJCCYIR-ZDUSSCGKSA-N 0 0 317.385 2.446 10 30 DEEERN CC(C)[C@@H](OC(=O)CCc1ccc(C#N)cc1)C(=O)N(C)C ZINC000729706361 640829192 /nfs/dbraw/zinc/82/91/92/640829192.db2.gz UUELEPRHOZFDTM-MRXNPFEDSA-N 0 0 302.374 2.147 10 30 DEEERN C=CCC(CC=C)C(=O)O[C@H](C)C(=O)NCc1ccccn1 ZINC000805952507 643941040 /nfs/dbraw/zinc/94/10/40/643941040.db2.gz CHODFDSLQVDJCN-CYBMUJFWSA-N 0 0 302.374 2.398 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC000800780949 645303319 /nfs/dbraw/zinc/30/33/19/645303319.db2.gz OTMFODLQPCZNNI-UKRRQHHQSA-N 0 0 314.437 2.154 10 30 DEEERN CCn1c(C2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC000801937769 645465080 /nfs/dbraw/zinc/46/50/80/645465080.db2.gz WEOZEILOJZKCAD-OAHLLOKOSA-N 0 0 314.437 2.132 10 30 DEEERN CC(C)(C)OC(=O)c1cnc(C(=O)OCC2(CC#N)CC2)cn1 ZINC000802095860 645479789 /nfs/dbraw/zinc/47/97/89/645479789.db2.gz RPRYNECCEGLWAR-UHFFFAOYSA-N 0 0 317.345 2.283 10 30 DEEERN C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@H](C)[C@H](F)C2)c(F)c1 ZINC000802565512 645534784 /nfs/dbraw/zinc/53/47/84/645534784.db2.gz YNARYSPSKVPYPX-TVQRCGJNSA-N 0 0 324.302 2.091 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)NCC(C)(C)C(F)(F)F)c1 ZINC000802579793 645535530 /nfs/dbraw/zinc/53/55/30/645535530.db2.gz GXMMEOTULSNVIE-UHFFFAOYSA-N 0 0 312.291 2.311 10 30 DEEERN C#C[C@@H](C)Oc1ccc(COC(=O)[C@H](C)CC(=O)OC)cc1 ZINC000802811846 645563079 /nfs/dbraw/zinc/56/30/79/645563079.db2.gz QKKQCJRTRFXSEZ-CHWSQXEVSA-N 0 0 304.342 2.330 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1 ZINC000803521467 645667566 /nfs/dbraw/zinc/66/75/66/645667566.db2.gz ICQRQUDCETZQEF-SFHVURJKSA-N 0 0 320.392 2.167 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)NC)c1 ZINC000803526359 645668560 /nfs/dbraw/zinc/66/85/60/645668560.db2.gz VRMPLRSCINCXDC-GOSISDBHSA-N 0 0 320.392 2.411 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N(CC(C)C)CC(C)C ZINC000803699648 645681667 /nfs/dbraw/zinc/68/16/67/645681667.db2.gz LFSCMAYJCPGHTR-UHFFFAOYSA-N 0 0 305.418 2.333 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000803701521 645682528 /nfs/dbraw/zinc/68/25/28/645682528.db2.gz VVVGPRSMMHSVFP-SFHVURJKSA-N 0 0 323.392 2.386 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N(CCSCc2ccccc2)C1=O ZINC000804143995 645731903 /nfs/dbraw/zinc/73/19/03/645731903.db2.gz TVXGWIHCKLJMGD-AWEZNQCLSA-N 0 0 320.414 2.043 10 30 DEEERN CCCCCCCC(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000804329228 645755930 /nfs/dbraw/zinc/75/59/30/645755930.db2.gz BITFKIBTQNLSFJ-UHFFFAOYSA-N 0 0 318.483 2.135 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cccc(C(N)=O)c1 ZINC000804452548 645773277 /nfs/dbraw/zinc/77/32/77/645773277.db2.gz IOTNNRDAGFKWHL-QGZVFWFLSA-N 0 0 306.365 2.150 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1nn(C)cc1C#N ZINC000806331586 645820860 /nfs/dbraw/zinc/82/08/60/645820860.db2.gz NVPCNYQEPIGHID-HNNXBMFYSA-N 0 0 307.357 2.048 10 30 DEEERN C#CCC(CC#C)C(=O)N(CCC(=O)OC)Cc1ccccc1 ZINC000806369530 645823219 /nfs/dbraw/zinc/82/32/19/645823219.db2.gz YKAAPIHNZBNNFA-UHFFFAOYSA-N 0 0 311.381 2.241 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000806383844 645825656 /nfs/dbraw/zinc/82/56/56/645825656.db2.gz OLIOLCJMAVBWNK-KRWDZBQOSA-N 0 0 305.381 2.289 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)NCCCc1c(C)noc1C ZINC000806478583 645834850 /nfs/dbraw/zinc/83/48/50/645834850.db2.gz TVWLITLORBMYBX-LBPRGKRZSA-N 0 0 321.421 2.201 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1COC(C)(C)O1 ZINC000807098321 645911284 /nfs/dbraw/zinc/91/12/84/645911284.db2.gz VUAXENLNFPCGOX-CVEARBPZSA-N 0 0 316.401 2.072 10 30 DEEERN C#CCOc1ccccc1NC(=O)C1CN(CC(F)(F)F)C1 ZINC000807275147 645934304 /nfs/dbraw/zinc/93/43/04/645934304.db2.gz AYBIGFUHHGVJFP-UHFFFAOYSA-N 0 0 312.291 2.131 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCC1(CO)CCC1 ZINC000807469037 645954232 /nfs/dbraw/zinc/95/42/32/645954232.db2.gz FFKIOYLBFCPJRO-MRXNPFEDSA-N 0 0 300.402 2.083 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@](C)(O)C1CC1 ZINC000807470408 645954522 /nfs/dbraw/zinc/95/45/22/645954522.db2.gz RCUSWMXPWXQNLN-SJLPKXTDSA-N 0 0 300.402 2.081 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCC1(CCO)CCC1 ZINC000807468026 645954743 /nfs/dbraw/zinc/95/47/43/645954743.db2.gz MKKQLAUWKQBYGH-QGZVFWFLSA-N 0 0 314.429 2.473 10 30 DEEERN C#C[C@H](NC(=O)c1csc(-c2ncccn2)n1)C(C)(C)C ZINC000807882281 646004819 /nfs/dbraw/zinc/00/48/19/646004819.db2.gz ZEPKCRODFJHLQC-NSHDSACASA-N 0 0 300.387 2.378 10 30 DEEERN CCCCCCNC(=O)[C@@H](C#N)C(=O)[C@H](C)C1CCOCC1 ZINC000165406919 646497136 /nfs/dbraw/zinc/49/71/36/646497136.db2.gz AJQKHDWTNBAHRM-HIFRSBDPSA-N 0 0 308.422 2.454 10 30 DEEERN C#CCOCCC(=O)OCc1ccccc1OC[C@@H]1CCCO1 ZINC000166798727 646536401 /nfs/dbraw/zinc/53/64/01/646536401.db2.gz MYPSEGJUXIDPAK-INIZCTEOSA-N 0 0 318.369 2.328 10 30 DEEERN CC(C)C(=O)N1CCC[C@H]1C(=O)Oc1ccc(C#N)cc1F ZINC000158218125 646598487 /nfs/dbraw/zinc/59/84/87/646598487.db2.gz VVEQHRNLVYQPIP-ZDUSSCGKSA-N 0 0 304.321 2.250 10 30 DEEERN C#CCOC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000060709784 646631758 /nfs/dbraw/zinc/63/17/58/646631758.db2.gz RKRZRIPZSBISNY-LZUXJJCOSA-N 0 0 315.413 2.370 10 30 DEEERN CCN(C[C@H](C)C#N)Cn1nnn(-c2ccccc2)c1=S ZINC000171065489 646684520 /nfs/dbraw/zinc/68/45/20/646684520.db2.gz PJXAKWLAHNQGKC-GFCCVEGCSA-N 0 0 302.407 2.237 10 30 DEEERN C=C(COC(=O)[C@H](C)N1CCc2ccccc2C1)C(=O)OCC ZINC000740984859 646873813 /nfs/dbraw/zinc/87/38/13/646873813.db2.gz JYMYELSSOOFIJU-AWEZNQCLSA-N 0 0 317.385 2.096 10 30 DEEERN CCOCCCNC(=O)[C@@H](C#N)C(=O)Cc1cccc(CC)c1 ZINC000152156917 647108284 /nfs/dbraw/zinc/10/82/84/647108284.db2.gz DBJOBNKVYCAZHQ-INIZCTEOSA-N 0 0 316.401 2.043 10 30 DEEERN COc1cccc([C@H](C#N)NC(=O)C2=COCCC2)c1OC ZINC000730777393 647397315 /nfs/dbraw/zinc/39/73/15/647397315.db2.gz YJUNGUIARHCTQP-ZDUSSCGKSA-N 0 0 302.330 2.079 10 30 DEEERN C=CCCOCC(=O)OCc1noc(Cc2ccccc2)n1 ZINC000731717040 647503384 /nfs/dbraw/zinc/50/33/84/647503384.db2.gz YEPSGASTZJQJLJ-UHFFFAOYSA-N 0 0 302.330 2.296 10 30 DEEERN Cc1ccc2[nH]c(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2c1 ZINC000732664327 647637503 /nfs/dbraw/zinc/63/75/03/647637503.db2.gz NEQKFDPUJQTGBR-HNNXBMFYSA-N 0 0 308.385 2.289 10 30 DEEERN Cc1ccc([C@H](C)NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)s1 ZINC000732699592 647643362 /nfs/dbraw/zinc/64/33/62/647643362.db2.gz ASWFXHRHPZFIPS-GXTWGEPZSA-N 0 0 318.446 2.499 10 30 DEEERN Cc1ccc([C@@H](C)NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)s1 ZINC000732699598 647643482 /nfs/dbraw/zinc/64/34/82/647643482.db2.gz ASWFXHRHPZFIPS-TZMCWYRMSA-N 0 0 318.446 2.499 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nn1c(C)nc2sccc2c1=O ZINC000154418156 648005945 /nfs/dbraw/zinc/00/59/45/648005945.db2.gz FIXHPEJJHXYKJP-UHFFFAOYSA-N 0 0 324.365 2.330 10 30 DEEERN C#CCSCCNC(=O)N(C)CCc1ccccc1OC ZINC000154850403 648117709 /nfs/dbraw/zinc/11/77/09/648117709.db2.gz SRCWFRGKALFFKN-UHFFFAOYSA-N 0 0 306.431 2.246 10 30 DEEERN N#CCOc1ccccc1C(=O)NCc1ccc(CO)c(F)c1 ZINC000170854903 648399144 /nfs/dbraw/zinc/39/91/44/648399144.db2.gz IOUVIUJTEQIERF-UHFFFAOYSA-N 0 0 314.316 2.150 10 30 DEEERN Cc1ccc([C@](O)(CC(=O)N[C@H](C#N)C2CC2)C(F)(F)F)o1 ZINC000180097453 648458390 /nfs/dbraw/zinc/45/83/90/648458390.db2.gz ZZVLEUHKORAPML-ZWNOBZJWSA-N 0 0 316.279 2.146 10 30 DEEERN C=C[C@@H](CC)OC(=O)c1ccc(S(=O)(=O)CCOC)cc1 ZINC000181212092 648582559 /nfs/dbraw/zinc/58/25/59/648582559.db2.gz UJVWWUDIDNVIJY-ZDUSSCGKSA-N 0 0 312.387 2.228 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)OCCOCC(F)(F)F ZINC000069658528 648718772 /nfs/dbraw/zinc/71/87/72/648718772.db2.gz UPCRSZJTPYWVBY-SNVBAGLBSA-N 0 0 317.263 2.448 10 30 DEEERN C=CCC[C@@H](C)OC(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000181778895 648748869 /nfs/dbraw/zinc/74/88/69/648748869.db2.gz UJMNUXXCBOLWIR-LLVKDONJSA-N 0 0 302.334 2.182 10 30 DEEERN Cc1ccc(CN(C)S(=O)(=O)c2cccc(F)c2C#N)o1 ZINC000070397894 648915485 /nfs/dbraw/zinc/91/54/85/648915485.db2.gz KJSCSBCKGPTYMB-UHFFFAOYSA-N 0 0 308.334 2.420 10 30 DEEERN Cc1nc2ccccc2n1CC(=O)OCC1(C#N)CCOCC1 ZINC000183930388 649202918 /nfs/dbraw/zinc/20/29/18/649202918.db2.gz RWMSFTWRTHQCIL-UHFFFAOYSA-N 0 0 313.357 2.208 10 30 DEEERN CC(=O)Nc1ccc(F)c(C(=O)OCC2(C#N)CCOCC2)c1 ZINC000183942233 649204529 /nfs/dbraw/zinc/20/45/29/649204529.db2.gz FCTKGQJFFVEUBP-UHFFFAOYSA-N 0 0 320.320 2.261 10 30 DEEERN CC(=NNCCS(C)(=O)=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000733203884 649452728 /nfs/dbraw/zinc/45/27/28/649452728.db2.gz CSNFCOHLCBBAPA-CHWSQXEVSA-N 0 0 314.838 2.454 10 30 DEEERN C#CCCNC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000733246676 649463335 /nfs/dbraw/zinc/46/33/35/649463335.db2.gz PGKREXWERWCHAG-UHFFFAOYSA-N 0 0 300.339 2.292 10 30 DEEERN C#CCCN/C=C1/c2ccccc2C(=O)N(c2ccccn2)C1=O ZINC000733249037 649463745 /nfs/dbraw/zinc/46/37/45/649463745.db2.gz BBKGSDQVXJDCML-SSZFMOIBSA-N 0 0 317.348 2.222 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)CN1C[C@H](C)CC1=O ZINC000733294529 649538252 /nfs/dbraw/zinc/53/82/52/649538252.db2.gz IPFKCIBWHSORLA-CYBMUJFWSA-N 0 0 303.362 2.409 10 30 DEEERN CCc1cccc2c(CC(=O)[C@@H](C#N)C(=O)NC3CC3)c[nH]c21 ZINC000109413264 651962355 /nfs/dbraw/zinc/96/23/55/651962355.db2.gz OTUMGSPTPHMIEA-OAHLLOKOSA-N 0 0 309.369 2.260 10 30 DEEERN Cn1cc(C#N)cc1C(=O)OCCc1c[nH]nc1C(F)(F)F ZINC000083765446 683998397 /nfs/dbraw/zinc/99/83/97/683998397.db2.gz GFUWYXCZMDRTSB-UHFFFAOYSA-N 0 0 312.251 2.038 10 30 DEEERN C=C(C)COC(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1 ZINC000096995811 684054976 /nfs/dbraw/zinc/05/49/76/684054976.db2.gz ZRCSPSGMHXICPO-CYBMUJFWSA-N 0 0 303.358 2.476 10 30 DEEERN C[C@@H](CC#N)N(C)C(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000126366821 684153821 /nfs/dbraw/zinc/15/38/21/684153821.db2.gz CENGKUXQPDIODN-QWHCGFSZSA-N 0 0 309.410 2.394 10 30 DEEERN C=CCOc1ccccc1C(=O)OCCN1CCSCC1 ZINC000127294289 684161891 /nfs/dbraw/zinc/16/18/91/684161891.db2.gz FBDAMMKDUWLBAI-UHFFFAOYSA-N 0 0 307.415 2.457 10 30 DEEERN C#CCCCCNC(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000127742100 684165832 /nfs/dbraw/zinc/16/58/32/684165832.db2.gz JYEIBIGPAVTQQZ-AWEZNQCLSA-N 0 0 311.389 2.431 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Oc1ccc(O[C@H](C)C(N)=O)cc1 ZINC000129942585 684183795 /nfs/dbraw/zinc/18/37/95/684183795.db2.gz WKJFRTGZJPSAQR-GFCCVEGCSA-N 0 0 324.336 2.339 10 30 DEEERN CC(C)Cn1ccnc1CNC(=O)c1ccccc1OCC#N ZINC000131389001 684199089 /nfs/dbraw/zinc/19/90/89/684199089.db2.gz DXBVMEDRROTYMR-UHFFFAOYSA-N 0 0 312.373 2.371 10 30 DEEERN C[C@@H](OC(=O)C1CCN(C(=O)N2CCCC2)CC1)C(C)(C)C#N ZINC000131676654 684201036 /nfs/dbraw/zinc/20/10/36/684201036.db2.gz YCCUHINVZXOCQA-CYBMUJFWSA-N 0 0 321.421 2.396 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NCCC3CCC3)cc2C1=O ZINC000134050151 684225031 /nfs/dbraw/zinc/22/50/31/684225031.db2.gz WHYHYDVCUCJHJR-UHFFFAOYSA-N 0 0 312.369 2.389 10 30 DEEERN C#C[C@@H](OC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1)C1CC1 ZINC000134082035 684225433 /nfs/dbraw/zinc/22/54/33/684225433.db2.gz KKKCURBWPQZDFM-DLBZAZTESA-N 0 0 315.369 2.218 10 30 DEEERN CCc1nc(CNC(=O)C#Cc2ccc3c(c2)OCO3)cs1 ZINC000137516912 684244921 /nfs/dbraw/zinc/24/49/21/684244921.db2.gz XWWSCSSHAUOMLN-UHFFFAOYSA-N 0 0 314.366 2.102 10 30 DEEERN CCCCCNC(=O)[C@@H](C#N)C(=O)CSCC(F)(F)F ZINC000155975694 684283066 /nfs/dbraw/zinc/28/30/66/684283066.db2.gz JIJOMPBINASTHE-VIFPVBQESA-N 0 0 310.341 2.297 10 30 DEEERN C#CCCCNC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000179065875 684333749 /nfs/dbraw/zinc/33/37/49/684333749.db2.gz UEFMXMGPWHBFMX-SWLSCSKDSA-N 0 0 308.328 2.196 10 30 DEEERN C=C[C@](C)(CCOC)COC(=O)COc1c(C)nn(C)c1C ZINC000187532519 684340138 /nfs/dbraw/zinc/34/01/38/684340138.db2.gz GOUHQRLDCIYFSH-MRXNPFEDSA-N 0 0 310.394 2.188 10 30 DEEERN C=C[C@@H](C)OC(=O)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000187615425 684340646 /nfs/dbraw/zinc/34/06/46/684340646.db2.gz YDGOBHUCTAYQNJ-GFCCVEGCSA-N 0 0 312.387 2.367 10 30 DEEERN C=C(CSc1nc2ccc(C)cc2c(=O)n1C)C(=O)OCC ZINC000191088660 684420478 /nfs/dbraw/zinc/42/04/78/684420478.db2.gz ISVLXEOVDVFVQF-UHFFFAOYSA-N 0 0 318.398 2.453 10 30 DEEERN C#CCCCC(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000192125203 684441712 /nfs/dbraw/zinc/44/17/12/684441712.db2.gz CPLGIKTUTNCKCT-UHFFFAOYSA-N 0 0 304.365 2.286 10 30 DEEERN C=C(C)CCOC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21 ZINC000246627034 685133693 /nfs/dbraw/zinc/13/36/93/685133693.db2.gz UHGACZUKCVZJLV-SGMGOOAPSA-N 0 0 312.435 2.222 10 30 DEEERN Cc1cc(C[NH2+]C[C@H](C(=O)[O-])C2CCOCC2)ccc1C#N ZINC000863744482 686564207 /nfs/dbraw/zinc/56/42/07/686564207.db2.gz BNJNFRDXQWUINR-INIZCTEOSA-N 0 0 302.374 2.084 10 30 DEEERN CNC(=O)c1cncc(/C=C\C(=O)OCC(C)(C)CCC#N)c1 ZINC000588616858 777619018 /nfs/dbraw/zinc/61/90/18/777619018.db2.gz SXQYTBFSXCHOFJ-WAYWQWQTSA-N 0 0 315.373 2.328 10 30 DEEERN C=CCN(CCOC)C(=O)c1cc(Br)ccc1N ZINC000234667584 791585507 /nfs/dbraw/zinc/58/55/07/791585507.db2.gz FIUSENIQHJPBOY-UHFFFAOYSA-N 0 0 313.195 2.306 10 30 DEEERN C#CC[C@@H](COC)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715720626 792507603 /nfs/dbraw/zinc/50/76/03/792507603.db2.gz JEJVIYOGWDTKSY-NSHDSACASA-N 0 0 316.170 2.422 10 30 DEEERN N#CCCCCS(=O)(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800156554 799325508 /nfs/dbraw/zinc/32/55/08/799325508.db2.gz FMYSNTVNMZTBCI-CQSZACIVSA-N 0 0 312.822 2.420 10 30 DEEERN CC1(C)CO[C@@H](CCNS(=O)(=O)c2ccc(C#N)s2)C1 ZINC000717353363 799381382 /nfs/dbraw/zinc/38/13/82/799381382.db2.gz KQWIUFRBNYZMCL-JTQLQIEISA-N 0 0 314.432 2.103 10 30 DEEERN CC1(NS(=O)(=O)c2cccc(F)c2C#N)CC(F)(F)C1 ZINC000720992069 1085280425 /nfs/dbraw/zinc/28/04/25/1085280425.db2.gz AMDLKTQXJZVDRY-UHFFFAOYSA-N 0 0 304.293 2.163 10 30 DEEERN C=CCN(CC(=O)OCC)Cc1ccncc1Br ZINC000702956121 1086473738 /nfs/dbraw/zinc/47/37/38/1086473738.db2.gz GRCHBRFEOKGWKX-UHFFFAOYSA-N 0 0 313.195 2.395 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)N(CC(F)F)C2CC2)c1 ZINC000720078592 1089457745 /nfs/dbraw/zinc/45/77/45/1089457745.db2.gz IXFQZWLZIFCHMY-UHFFFAOYSA-N 0 0 304.293 2.116 10 30 DEEERN CCCN(CC(F)F)S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720080169 1089459322 /nfs/dbraw/zinc/45/93/22/1089459322.db2.gz WIJUZBRZZSLWQZ-UHFFFAOYSA-N 0 0 306.309 2.363 10 30 DEEERN C[C@H]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CCS1 ZINC000720088014 1089496325 /nfs/dbraw/zinc/49/63/25/1089496325.db2.gz SINNQGKUSRGKRV-JTQLQIEISA-N 0 0 314.407 2.213 10 30 DEEERN N#Cc1cccc(NC(=O)[C@@H]2NC(=O)O[C@H]2c2ccccc2)c1 ZINC000074695061 185009812 /nfs/dbraw/zinc/00/98/12/185009812.db2.gz KVEFORXLRFHTOV-CABCVRRESA-N 0 0 307.309 2.346 10 30 DEEERN N#Cc1ccccc1NC(=O)[C@H]1NC(=O)O[C@@H]1c1ccccc1 ZINC000074695058 185009871 /nfs/dbraw/zinc/00/98/71/185009871.db2.gz KRDFEYJMNXNSTN-LSDHHAIUSA-N 0 0 307.309 2.346 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000624811316 365557911 /nfs/dbraw/zinc/55/79/11/365557911.db2.gz COAXRKZOTYPBSL-QBXIECCESA-N 0 0 306.793 2.214 10 30 DEEERN C=CCn1c(-c2cccnc2)nnc1N1CC[C@@H](CO)C[C@H]1C ZINC000624817229 365558482 /nfs/dbraw/zinc/55/84/82/365558482.db2.gz YFBMCCGCIOBXDW-ZIAGYGMSSA-N 0 0 313.405 2.123 10 30 DEEERN C=CCN(C(C)(C)C)S(=O)(=O)CCOc1cccc(N)c1 ZINC000162179163 197550314 /nfs/dbraw/zinc/55/03/14/197550314.db2.gz JJLNTYCEDKCZCN-UHFFFAOYSA-N 0 0 312.435 2.264 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000612399406 361815774 /nfs/dbraw/zinc/81/57/74/361815774.db2.gz AHXMMKYHPPCZNQ-KGLIPLIRSA-N 0 0 322.430 2.119 10 30 DEEERN C=CCN(C(C)(C)C)S(=O)(=O)c1ccc(F)c(CO)c1F ZINC000162542890 197572901 /nfs/dbraw/zinc/57/29/01/197572901.db2.gz HPTYEXFSFGXMKZ-UHFFFAOYSA-N 0 0 319.373 2.432 10 30 DEEERN C=C(C)CN(CC)c1nnc(-c2cn[nH]c2)n1C[C@@H]1CCCO1 ZINC000625093146 365640386 /nfs/dbraw/zinc/64/03/86/365640386.db2.gz KLAZETVSIXJBMP-AWEZNQCLSA-N 0 0 316.409 2.250 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000612506252 361845410 /nfs/dbraw/zinc/84/54/10/361845410.db2.gz ITSHRQLABIIQEA-KGLIPLIRSA-N 0 0 322.449 2.263 10 30 DEEERN C[C@@]1(C(=O)NCc2ccccc2C#CCCO)CCCS1 ZINC000164886500 197665860 /nfs/dbraw/zinc/66/58/60/197665860.db2.gz PHSSSYDCXKEDNW-KRWDZBQOSA-N 0 0 303.427 2.322 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000278787689 214402581 /nfs/dbraw/zinc/40/25/81/214402581.db2.gz PYLKMNRGIFLBGV-MWLCHTKSSA-N 0 0 303.284 2.365 10 30 DEEERN CC[C@@H](C#N)S(=O)(=O)c1cc(Br)ccc1N ZINC000088088734 185239501 /nfs/dbraw/zinc/23/95/01/185239501.db2.gz RRMDBQNMZGCDLG-QMMMGPOBSA-N 0 0 303.181 2.107 10 30 DEEERN CC[C@@H](C#N)S(=O)(=O)c1ccc(Br)cc1N ZINC000088064672 185238718 /nfs/dbraw/zinc/23/87/18/185238718.db2.gz HLLGAQJSXXPGKC-QMMMGPOBSA-N 0 0 303.181 2.107 10 30 DEEERN N#Cc1cccc([C@@H]2CN(C(=O)C3CCC(=O)CC3)CCO2)c1 ZINC000328863514 231370102 /nfs/dbraw/zinc/37/01/02/231370102.db2.gz BCJLKHJJCWYSIS-KRWDZBQOSA-N 0 0 312.369 2.217 10 30 DEEERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(C#N)cs1 ZINC000088197010 185241567 /nfs/dbraw/zinc/24/15/67/185241567.db2.gz FAEQGOFSUKDZAI-SNVBAGLBSA-N 0 0 301.375 2.039 10 30 DEEERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[C@H]2C#N)C1 ZINC000408330785 529632968 /nfs/dbraw/zinc/63/29/68/529632968.db2.gz ODEYJLSEPQGUJU-AJNGGQMLSA-N 0 0 305.422 2.080 10 30 DEEERN C=CCCOCC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000613195491 362035056 /nfs/dbraw/zinc/03/50/56/362035056.db2.gz MPSNMPOLFMYDBD-UHFFFAOYSA-N 0 0 315.329 2.405 10 30 DEEERN CCC(CC)[C@@H](C(=O)N1CCC(C)(C#N)CC1)N1CCOCC1 ZINC000356993593 282220036 /nfs/dbraw/zinc/22/00/36/282220036.db2.gz WINOSZWJCNCRPK-INIZCTEOSA-N 0 0 321.465 2.276 10 30 DEEERN C=CCCC(=O)NCC#CCOc1cccc(NC(C)=O)c1 ZINC000090731936 185311588 /nfs/dbraw/zinc/31/15/88/185311588.db2.gz CUDDUGKOKUPUTL-UHFFFAOYSA-N 0 0 300.358 2.110 10 30 DEEERN CCOCC(=O)NCC#CCOc1cccc(C(F)(F)F)c1 ZINC000090730360 185311713 /nfs/dbraw/zinc/31/17/13/185311713.db2.gz VEUWUHUMWAEPDN-UHFFFAOYSA-N 0 0 315.291 2.240 10 30 DEEERN C[C@@H](C(=O)[C@@H](C#N)c1ccc(F)cc1Cl)S(C)(=O)=O ZINC000168534303 197724848 /nfs/dbraw/zinc/72/48/48/197724848.db2.gz HUHYRJMVSQXDPV-XVKPBYJWSA-N 0 0 303.742 2.088 10 30 DEEERN C[C@@H](CS(C)(=O)=O)Nc1cccc(Br)c1C#N ZINC000168553482 197725209 /nfs/dbraw/zinc/72/52/09/197725209.db2.gz JTGPCSNNJFMPTJ-QMMMGPOBSA-N 0 0 317.208 2.166 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)Cc1cncc(OC)n1 ZINC000625421668 365777078 /nfs/dbraw/zinc/77/70/78/365777078.db2.gz BSUOTRCZKDCDLR-UHFFFAOYSA-N 0 0 303.362 2.149 10 30 DEEERN CN(CC1CC(O)C1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000302643461 529859801 /nfs/dbraw/zinc/85/98/01/529859801.db2.gz IUHOPDUSEQRSEO-UHFFFAOYSA-N 0 0 312.329 2.222 10 30 DEEERN CN(CC1(CO)CC1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000187326960 529854090 /nfs/dbraw/zinc/85/40/90/529854090.db2.gz LTJGPISDJKLLGZ-OAHLLOKOSA-N 0 0 301.390 2.445 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](OCC)c1ccccc1 ZINC000614076408 362276786 /nfs/dbraw/zinc/27/67/86/362276786.db2.gz MIAVFNWXWHKLMW-SJORKVTESA-N 0 0 318.417 2.351 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCN(Cc2ncon2)C1 ZINC000614664034 362431182 /nfs/dbraw/zinc/43/11/82/362431182.db2.gz BGLVFWJVILDCNR-ZIAGYGMSSA-N 0 0 306.410 2.000 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC=C(c2ccco2)C1 ZINC000614683974 362437064 /nfs/dbraw/zinc/43/70/64/362437064.db2.gz OIQNFJCRCYEIEO-HNNXBMFYSA-N 0 0 302.374 2.366 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1c2ccccc2O[C@H]1C ZINC000614938941 362494828 /nfs/dbraw/zinc/49/48/28/362494828.db2.gz GUYJBRLPHJBBAC-PJODQICGSA-N 0 0 302.374 2.096 10 30 DEEERN CN1CCCN(Cc2cccc(OCCCC#N)c2)CC1=O ZINC000191663527 530054096 /nfs/dbraw/zinc/05/40/96/530054096.db2.gz FGNOCOSMDXLNBO-UHFFFAOYSA-N 0 0 301.390 2.033 10 30 DEEERN N#C[C@@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)C1CC1 ZINC000108837526 185535534 /nfs/dbraw/zinc/53/55/34/185535534.db2.gz WSXLBEPLEPBKLC-GFCCVEGCSA-N 0 0 306.749 2.072 10 30 DEEERN CCc1nc2n(n1)C[C@H](Nc1ncc(C#N)cc1Cl)CC2 ZINC000108948647 185542768 /nfs/dbraw/zinc/54/27/68/185542768.db2.gz WBJLLZUNHLBLIU-SNVBAGLBSA-N 0 0 302.769 2.187 10 30 DEEERN C[C@H](NC(=O)c1sccc1C#CCCO)c1ccccn1 ZINC000111531755 185610968 /nfs/dbraw/zinc/61/09/68/185610968.db2.gz MVBBABZPYNMEEK-LBPRGKRZSA-N 0 0 300.383 2.368 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000616414159 362850370 /nfs/dbraw/zinc/85/03/70/362850370.db2.gz KFQMGASYNDANEE-ZMSDIMECSA-N 0 0 304.365 2.211 10 30 DEEERN C=CCn1cc(CNC(=O)C[C@]23CCCC[C@H]2C3(F)F)nn1 ZINC000616409635 362850504 /nfs/dbraw/zinc/85/05/04/362850504.db2.gz TVNXANLSTVCDMK-TZMCWYRMSA-N 0 0 310.348 2.296 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NCCOC1CCCC1 ZINC000070432375 190891991 /nfs/dbraw/zinc/89/19/91/190891991.db2.gz UDXQIALMIZOXOB-UHFFFAOYSA-N 0 0 308.403 2.104 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000616797598 362935408 /nfs/dbraw/zinc/93/54/08/362935408.db2.gz HACJZZHZQFNWLZ-OAHLLOKOSA-N 0 0 300.358 2.225 10 30 DEEERN Cc1c(C#CCO)cccc1C(=O)N1CCS[C@H](C)[C@H]1C ZINC000133646938 186002731 /nfs/dbraw/zinc/00/27/31/186002731.db2.gz NGGURPQKINDDJX-ZIAGYGMSSA-N 0 0 303.427 2.305 10 30 DEEERN C=C(C)CN(CC)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000138379808 186016401 /nfs/dbraw/zinc/01/64/01/186016401.db2.gz NXXXLIUEYHUILM-UHFFFAOYSA-N 0 0 304.362 2.010 10 30 DEEERN C[C@H](NC(=O)c1ccc(C#N)cn1)c1ccc2c(c1)OCCO2 ZINC000170968438 197859962 /nfs/dbraw/zinc/85/99/62/197859962.db2.gz UIJCSZVAVBFAET-NSHDSACASA-N 0 0 309.325 2.215 10 30 DEEERN CC[C@H](C#N)N1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000148410467 186044545 /nfs/dbraw/zinc/04/45/45/186044545.db2.gz WGEKCPRBABDZND-LLVKDONJSA-N 0 0 309.757 2.067 10 30 DEEERN CC(C)[C@]1(C)CC(=O)N(Cc2sccc2C#CCO)C1=O ZINC000148749085 186045866 /nfs/dbraw/zinc/04/58/66/186045866.db2.gz OKAKBDHVYVOSCD-INIZCTEOSA-N 0 0 305.399 2.013 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000617043764 363007684 /nfs/dbraw/zinc/00/76/84/363007684.db2.gz DRVYCJHOWIBPBV-UONOGXRCSA-N 0 0 317.433 2.388 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C)c(C(N)=O)cn1 ZINC000617044440 363007945 /nfs/dbraw/zinc/00/79/45/363007945.db2.gz NKTBEXMOEJERRG-OCCSQVGLSA-N 0 0 301.390 2.354 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccn2c(=O)[nH]nc12 ZINC000617041760 363008142 /nfs/dbraw/zinc/00/81/42/363008142.db2.gz IMSVJRYLYISBNR-DGCLKSJQSA-N 0 0 300.362 2.300 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000290914142 186622304 /nfs/dbraw/zinc/62/23/04/186622304.db2.gz PQSDOZLVRRERAZ-OLZOCXBDSA-N 0 0 308.809 2.220 10 30 DEEERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H](C)Cn1cccn1 ZINC000328623510 539909410 /nfs/dbraw/zinc/90/94/10/539909410.db2.gz JGHIQFIMEQVDEP-UMVBOHGHSA-N 0 0 317.393 2.222 10 30 DEEERN CNC(=O)C1CCC(NC(=O)N2CC3(C2)CCCOC3)CC1 ZINC000329241648 539916435 /nfs/dbraw/zinc/91/64/35/539916435.db2.gz NSTYZLQGBMZBKL-UHFFFAOYSA-N 0 0 309.410 2.158 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000333261594 539953457 /nfs/dbraw/zinc/95/34/57/539953457.db2.gz CODKLYUSTJDVTQ-OJYUVLBFSA-N 0 0 301.434 2.353 10 30 DEEERN C=CCOCCCC(=O)Nc1ccc2c(c1)CCN(C)C2=O ZINC000618086892 363371522 /nfs/dbraw/zinc/37/15/22/363371522.db2.gz IWELROMHQBJRKL-UHFFFAOYSA-N 0 0 302.374 2.236 10 30 DEEERN C#CCNC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000054816013 354474943 /nfs/dbraw/zinc/47/49/43/354474943.db2.gz JDVNCXOOCBRURE-NSHDSACASA-N 0 0 309.163 2.205 10 30 DEEERN Cc1nn(C)cc1[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000068154956 354800482 /nfs/dbraw/zinc/80/04/82/354800482.db2.gz HODVORXMWCKXOR-YPMHNXCESA-N 0 0 312.373 2.245 10 30 DEEERN N#CC1(C(=O)N2CCN(c3ncccc3Cl)CC2)CCCC1 ZINC000069476740 354866043 /nfs/dbraw/zinc/86/60/43/354866043.db2.gz SVZYYPVZKQEVJK-UHFFFAOYSA-N 0 0 318.808 2.468 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)C1=O ZINC000355672643 540083816 /nfs/dbraw/zinc/08/38/16/540083816.db2.gz YGBXUPGADSUTGQ-WOPDTQHZSA-N 0 0 318.339 2.210 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)C1CCCCC1 ZINC000075999494 355118361 /nfs/dbraw/zinc/11/83/61/355118361.db2.gz XDPQNEBRCCJPJA-CJNGLKHVSA-N 0 0 316.401 2.383 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)C1CCCCC1 ZINC000075999491 355118420 /nfs/dbraw/zinc/11/84/20/355118420.db2.gz XDPQNEBRCCJPJA-BBRMVZONSA-N 0 0 316.401 2.383 10 30 DEEERN CSC(=NCC1CCN(C(=O)OC(C)(C)C)CC1)NC#N ZINC000073736707 191349676 /nfs/dbraw/zinc/34/96/76/191349676.db2.gz KBGFKWXIYQVNJW-UHFFFAOYSA-N 0 0 312.439 2.423 10 30 DEEERN CC[C@@H](C)Oc1cc(CNC(=O)c2cc(C#N)cn2C)ccn1 ZINC000181455098 356081552 /nfs/dbraw/zinc/08/15/52/356081552.db2.gz IRBDMSPACUNUNK-GFCCVEGCSA-N 0 0 312.373 2.399 10 30 DEEERN Cc1cc(S(=O)(=O)N[C@@H](C#N)C(C)C)cc([N+](=O)[O-])c1C ZINC000079846751 191978125 /nfs/dbraw/zinc/97/81/25/191978125.db2.gz ZRLOHNBLVHLAKY-LBPRGKRZSA-N 0 0 311.363 2.038 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccccc1COCCC ZINC000182977104 356154816 /nfs/dbraw/zinc/15/48/16/356154816.db2.gz HVUOBXNXWIPARW-MRXNPFEDSA-N 0 0 306.406 2.349 10 30 DEEERN COCc1noc([C@H](C)n2c(C)nnc2-c2cccc(C#N)c2)n1 ZINC000182932330 356152085 /nfs/dbraw/zinc/15/20/85/356152085.db2.gz UJWVLRWSNKAZKW-JTQLQIEISA-N 0 0 324.344 2.264 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccc(Cl)cc1OCC ZINC000183784815 356180168 /nfs/dbraw/zinc/18/01/68/356180168.db2.gz XNAQHNJHQUJXJV-CYBMUJFWSA-N 0 0 312.797 2.475 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000183808341 356180534 /nfs/dbraw/zinc/18/05/34/356180534.db2.gz DDRKHFDZVYHZGR-GFCCVEGCSA-N 0 0 310.344 2.233 10 30 DEEERN COc1cccc(-c2nsc(NC(=O)NC[C@H](C)C#N)n2)c1 ZINC000184103983 356185844 /nfs/dbraw/zinc/18/58/44/356185844.db2.gz UZBXVMBDMNCNAD-SECBINFHSA-N 0 0 317.374 2.495 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(C(=O)OC)c(Cl)c1 ZINC000185659436 356209620 /nfs/dbraw/zinc/20/96/20/356209620.db2.gz UDVDBLMUVIFBHV-JTQLQIEISA-N 0 0 312.753 2.185 10 30 DEEERN C=CCSCCNC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000194478002 356240281 /nfs/dbraw/zinc/24/02/81/356240281.db2.gz QWGNKWYMEIKYRK-AWEZNQCLSA-N 0 0 300.468 2.209 10 30 DEEERN N#Cc1nccc(I)c1OC(F)(F)F ZINC000238522150 356303518 /nfs/dbraw/zinc/30/35/18/356303518.db2.gz ZLWVYGWTDXJWJG-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN Cc1ccc(CN2c3ccccc3/C(=N/NC(N)=S)C2=O)cc1 ZINC000005698718 181274095 /nfs/dbraw/zinc/27/40/95/181274095.db2.gz WBSDKAHBGGQYSK-CYVLTUHYSA-N 0 0 324.409 2.079 10 30 DEEERN N#Cc1ccc(N2CCO[C@]3(CCOC3)C2)c(Br)c1 ZINC000274439311 283164260 /nfs/dbraw/zinc/16/42/60/283164260.db2.gz UEKWBFMRKFWBHD-CQSZACIVSA-N 0 0 323.190 2.316 10 30 DEEERN N#Cc1ccc(NC(=O)C(=O)N2CCCC23CCC3)c(F)c1 ZINC000447419963 283172777 /nfs/dbraw/zinc/17/27/77/283172777.db2.gz XDRXJIBEGZFDAC-UHFFFAOYSA-N 0 0 301.321 2.181 10 30 DEEERN C[C@@H](NC(=O)c1cc(C#N)cn1C)c1nc(C(C)(C)C)no1 ZINC000081550561 192289539 /nfs/dbraw/zinc/28/95/39/192289539.db2.gz MYGKYXSVUWYNQA-SECBINFHSA-N 0 0 301.350 2.068 10 30 DEEERN C=CCOCCCNC(=O)c1cnnn1-c1ccccc1Cl ZINC000618522253 363514904 /nfs/dbraw/zinc/51/49/04/363514904.db2.gz BDLUMUVIWLWIHB-UHFFFAOYSA-N 0 0 320.780 2.243 10 30 DEEERN C=CCOCCCNC(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000618523994 363515844 /nfs/dbraw/zinc/51/58/44/363515844.db2.gz YOXJFVYYLIJWCJ-UHFFFAOYSA-N 0 0 304.390 2.379 10 30 DEEERN C=CCOCCCNC(=O)Cc1cncn1Cc1ccccc1 ZINC000618524757 363516228 /nfs/dbraw/zinc/51/62/28/363516228.db2.gz OPBFSYUUFZTOJM-UHFFFAOYSA-N 0 0 313.401 2.183 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N(C)Cc1cccc(C)n1 ZINC000584665449 540255193 /nfs/dbraw/zinc/25/51/93/540255193.db2.gz NDFIVXSLPQZVBU-UHFFFAOYSA-N 0 0 303.406 2.211 10 30 DEEERN C#CCC1(C(=O)N2CCC[C@H](c3nnc[nH]3)C2)CCCCC1 ZINC000365025231 356666174 /nfs/dbraw/zinc/66/61/74/356666174.db2.gz GDYGMMIVONFQDY-AWEZNQCLSA-N 0 0 300.406 2.485 10 30 DEEERN C=CCCn1cc(C(=O)N2CCO[C@H](C3CCCCC3)C2)nn1 ZINC000578128278 356765052 /nfs/dbraw/zinc/76/50/52/356765052.db2.gz XSQWYDYLRVULOL-INIZCTEOSA-N 0 0 318.421 2.276 10 30 DEEERN C=CCn1c(N2CCO[C@H](CC)C2)nnc1[C@]1(C)CCCO1 ZINC000578294982 356790867 /nfs/dbraw/zinc/79/08/67/356790867.db2.gz ZKPAPKNGMKXXEV-CJNGLKHVSA-N 0 0 306.410 2.105 10 30 DEEERN C=CCCCCCNC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000579371249 356965668 /nfs/dbraw/zinc/96/56/68/356965668.db2.gz KPJQKEYSCBWJOV-INIZCTEOSA-N 0 0 309.454 2.239 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000579376477 356967056 /nfs/dbraw/zinc/96/70/56/356967056.db2.gz SKEYBJGPBFGNAQ-UHFFFAOYSA-N 0 0 310.419 2.119 10 30 DEEERN C=CCn1cc(CNC(=O)N(C)Cc2cc(C)cc(C)c2)nn1 ZINC000579466156 356978728 /nfs/dbraw/zinc/97/87/28/356978728.db2.gz VGFMDLZMHDLVKY-UHFFFAOYSA-N 0 0 313.405 2.423 10 30 DEEERN C=CCn1c(N2CCO[C@@H](CCC)C2)nnc1[C@]1(C)CCCO1 ZINC000581054063 357122426 /nfs/dbraw/zinc/12/24/26/357122426.db2.gz HCXUVKYJSGQDNB-YOEHRIQHSA-N 0 0 320.437 2.495 10 30 DEEERN C=C(C)Cn1c(N2CCCO[C@@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000581411366 357182424 /nfs/dbraw/zinc/18/24/24/357182424.db2.gz AWJJBLMNQXSVGB-WMLDXEAASA-N 0 0 320.437 2.495 10 30 DEEERN C=C[C@@H](C(=O)OC)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000585753730 357352493 /nfs/dbraw/zinc/35/24/93/357352493.db2.gz JGIMLZRCIWBWLT-HNNXBMFYSA-N 0 0 310.344 2.205 10 30 DEEERN N#C[C@@]1(NC(=O)c2ncsc2Br)CCSC1 ZINC000588945136 357436647 /nfs/dbraw/zinc/43/66/47/357436647.db2.gz XFQFFMSLOFMPNU-VIFPVBQESA-N 0 0 318.221 2.035 10 30 DEEERN CC(=O)N(C)c1ccccc1NC(=O)c1cc(O)cc(C#N)c1 ZINC000589181898 357451680 /nfs/dbraw/zinc/45/16/80/357451680.db2.gz NFVVKLFHWBZLGA-UHFFFAOYSA-N 0 0 309.325 2.499 10 30 DEEERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2ccc(C#N)c(F)c2)C1 ZINC000591632711 357746179 /nfs/dbraw/zinc/74/61/79/357746179.db2.gz HACDBLUDSJIGBY-HIFRSBDPSA-N 0 0 300.337 2.382 10 30 DEEERN C=CCn1cc(C(=O)NCc2ccc(F)cc2CSC)nn1 ZINC000592608619 357911234 /nfs/dbraw/zinc/91/12/34/357911234.db2.gz ZHJBFKLBRKHIHE-UHFFFAOYSA-N 0 0 320.393 2.396 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592709438 357929131 /nfs/dbraw/zinc/92/91/31/357929131.db2.gz RGXWALJVWLQWGE-CXTNEJHOSA-N 0 0 301.452 2.240 10 30 DEEERN CCN([C@@H]1CCOC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000312580543 535403734 /nfs/dbraw/zinc/40/37/34/535403734.db2.gz POSKTTJZFVDDKJ-LLVKDONJSA-N 0 0 314.794 2.011 10 30 DEEERN C=CCCn1cc(C[S@@](=O)Cc2ncc(Cl)s2)nn1 ZINC000593937141 358174719 /nfs/dbraw/zinc/17/47/19/358174719.db2.gz NCJJYWQGOGOREB-LJQANCHMSA-N 0 0 316.839 2.413 10 30 DEEERN C=CCn1c(-c2ccc(C#N)cc2)nnc1N(C[C@@H](C)O)C1CC1 ZINC000594472864 358279320 /nfs/dbraw/zinc/27/93/20/358279320.db2.gz LNUPEBIWFVELKD-CYBMUJFWSA-N 0 0 323.400 2.352 10 30 DEEERN C=CCCn1cc(COc2ccc([N+](=O)[O-])cc2OC)nn1 ZINC000594447319 358274290 /nfs/dbraw/zinc/27/42/90/358274290.db2.gz GCSANDYVWSRBHD-UHFFFAOYSA-N 0 0 304.306 2.350 10 30 DEEERN C=CCCn1cc(CSCC(=O)N2CCC(C)CC2)nn1 ZINC000594564373 358294842 /nfs/dbraw/zinc/29/48/42/358294842.db2.gz UQQXREAJCXFGPV-UHFFFAOYSA-N 0 0 308.451 2.346 10 30 DEEERN C=CCCn1cc(CS[C@@H](C)C(=O)Nc2cc(C)no2)nn1 ZINC000594564952 358295009 /nfs/dbraw/zinc/29/50/09/358295009.db2.gz MMDCLXZFYOLTDM-NSHDSACASA-N 0 0 321.406 2.411 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccnc1C#N ZINC000594790647 358337118 /nfs/dbraw/zinc/33/71/18/358337118.db2.gz VRUBMICBAGOFHD-QWHCGFSZSA-N 0 0 305.403 2.366 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)CCCCCC(=O)OC ZINC000595371945 358433932 /nfs/dbraw/zinc/43/39/32/358433932.db2.gz HMLITQUTWWXQGS-OKILXGFUSA-N 0 0 315.435 2.233 10 30 DEEERN C=C(C)CS(=O)(=O)NC[C@@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000595416650 358442395 /nfs/dbraw/zinc/44/23/95/358442395.db2.gz IJCKEHZEWNWVPR-CYBMUJFWSA-N 0 0 317.451 2.240 10 30 DEEERN C=CCCSCCNC(=O)N1CCOC[C@H]1CC(F)F ZINC000596716329 358745847 /nfs/dbraw/zinc/74/58/47/358745847.db2.gz SYVZCJQILOVBLI-LLVKDONJSA-N 0 0 308.394 2.361 10 30 DEEERN C=CCSc1ccccc1C(=O)N[C@@H](CO)CC(=O)OCC ZINC000597678528 358977426 /nfs/dbraw/zinc/97/74/26/358977426.db2.gz KUPZRBJTPJJAEH-GFCCVEGCSA-N 0 0 323.414 2.009 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C(C)=O)C(=O)OCC ZINC000597863367 359027931 /nfs/dbraw/zinc/02/79/31/359027931.db2.gz FDRZXEAUKWNLDX-RBSFLKMASA-N 0 0 309.406 2.396 10 30 DEEERN C=CCC[C@H](NC(=O)c1cc(F)c(C#N)c(F)c1)C(=O)OCC ZINC000597732598 358993127 /nfs/dbraw/zinc/99/31/27/358993127.db2.gz KPGXJNHTFSNIJG-AWEZNQCLSA-N 0 0 322.311 2.464 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000185814762 199891286 /nfs/dbraw/zinc/89/12/86/199891286.db2.gz SUYXBFLPUGAAKI-ONGXEEELSA-N 0 0 301.745 2.300 10 30 DEEERN C=CCN(C(=O)c1ccc(C(=O)OC)c(F)c1)[C@H](C)COC ZINC000597952617 359051546 /nfs/dbraw/zinc/05/15/46/359051546.db2.gz UTICZTBTTFKWKB-LLVKDONJSA-N 0 0 309.337 2.275 10 30 DEEERN CC(=O)N1CCC(C(=O)NC(C)(C)c2cccc(C#N)c2)CC1 ZINC000597953469 359051677 /nfs/dbraw/zinc/05/16/77/359051677.db2.gz ZXSQZDCCJZPSDK-UHFFFAOYSA-N 0 0 313.401 2.168 10 30 DEEERN C=CC[C@H](CO)NC(=O)COc1ccc(Cl)cc1Cl ZINC000185926402 199905339 /nfs/dbraw/zinc/90/53/39/199905339.db2.gz MZLTUSZQFRYQPV-SNVBAGLBSA-N 0 0 304.173 2.425 10 30 DEEERN C[C@@H]1CN(Cc2ccc(C#N)o2)C[C@H](c2nc(C3CC3)no2)O1 ZINC000598931937 359359811 /nfs/dbraw/zinc/35/98/11/359359811.db2.gz XYRAWIFPHFMPPC-QMTHXVAHSA-N 0 0 314.345 2.374 10 30 DEEERN C=CCCNC(=O)N1CCc2c(F)ccc(C(=O)OC)c2C1 ZINC000599091575 359400647 /nfs/dbraw/zinc/40/06/47/359400647.db2.gz CGZPXIJUPCVBDN-UHFFFAOYSA-N 0 0 306.337 2.256 10 30 DEEERN C=CC(C)(C)CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000599116468 359406754 /nfs/dbraw/zinc/40/67/54/359406754.db2.gz ILRCAHGMGHHXTQ-UHFFFAOYSA-N 0 0 321.381 2.236 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000599378199 359483401 /nfs/dbraw/zinc/48/34/01/359483401.db2.gz HHMDKSMUXARQPJ-GFCCVEGCSA-N 0 0 308.378 2.425 10 30 DEEERN C=CCC[C@@H](NC(=O)c1ncc2c(F)cccn21)C(=O)OCC ZINC000599997903 359632116 /nfs/dbraw/zinc/63/21/16/359632116.db2.gz ZNOPTUVOKVBZAM-GFCCVEGCSA-N 0 0 319.336 2.101 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000600024190 359635405 /nfs/dbraw/zinc/63/54/05/359635405.db2.gz KJAQGTMPJWVHQJ-LBPRGKRZSA-N 0 0 317.345 2.266 10 30 DEEERN CCOC(=O)C[C@@H](C)CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000089787603 192868588 /nfs/dbraw/zinc/86/85/88/192868588.db2.gz BENZLVFGJMIWLF-CHWSQXEVSA-N 0 0 318.373 2.031 10 30 DEEERN C=CC(C)(C)CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000600167786 359673460 /nfs/dbraw/zinc/67/34/60/359673460.db2.gz XXGQITRDAGJEHR-UHFFFAOYSA-N 0 0 319.361 2.043 10 30 DEEERN C=CCCn1cc(C(=O)N2CCc3c(CC#N)cccc3C2)nn1 ZINC000600787150 359828532 /nfs/dbraw/zinc/82/85/32/359828532.db2.gz RSRAETYNDPXLIL-UHFFFAOYSA-N 0 0 321.384 2.119 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc2c1OCC2 ZINC000627685819 366591308 /nfs/dbraw/zinc/59/13/08/366591308.db2.gz IBWWDHNKPWRORZ-UHFFFAOYSA-N 0 0 302.374 2.279 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(OC)cc1OC ZINC000627688687 366592627 /nfs/dbraw/zinc/59/26/27/366592627.db2.gz REHWZHPBGMYOOR-UHFFFAOYSA-N 0 0 320.389 2.361 10 30 DEEERN Cc1nsc(NC(=O)CCc2c(C)nn(C)c2C)c1C#N ZINC000281142026 216107172 /nfs/dbraw/zinc/10/71/72/216107172.db2.gz KFPZEGFCBSIKEF-UHFFFAOYSA-N 0 0 303.391 2.245 10 30 DEEERN C=CCn1c(SCCN(C#N)CC)nnc1-c1cccnc1 ZINC000601073510 359912978 /nfs/dbraw/zinc/91/29/78/359912978.db2.gz ASLBLVFBUQXIPS-UHFFFAOYSA-N 0 0 314.418 2.421 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000627733309 366603254 /nfs/dbraw/zinc/60/32/54/366603254.db2.gz QUNKAOHHFMQGCS-NSHDSACASA-N 0 0 319.430 2.385 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc3c[nH]nc3cc2C)C1 ZINC000627734323 366604634 /nfs/dbraw/zinc/60/46/34/366604634.db2.gz PUECRTSXULZTNQ-GFCCVEGCSA-N 0 0 312.373 2.234 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000627736390 366606676 /nfs/dbraw/zinc/60/66/76/366606676.db2.gz WNDBAGUOGVNSBQ-ZDUSSCGKSA-N 0 0 300.358 2.252 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1COc2cc(F)ccc2C1 ZINC000627830744 366635656 /nfs/dbraw/zinc/63/56/56/366635656.db2.gz LARARMUCAPFXJP-GUTXKFCHSA-N 0 0 305.349 2.084 10 30 DEEERN C=C(C)C[C@@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)OC ZINC000601502624 360056249 /nfs/dbraw/zinc/05/62/49/360056249.db2.gz RJNKKTQCKXMZGT-CYBMUJFWSA-N 0 0 311.403 2.090 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000601530898 360063882 /nfs/dbraw/zinc/06/38/82/360063882.db2.gz XJIQJQZIYRXZOK-MRXNPFEDSA-N 0 0 323.396 2.132 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCN(CCC#N)CC1 ZINC000601619534 360089159 /nfs/dbraw/zinc/08/91/59/360089159.db2.gz LLPPVHDTOAABHB-JKSUJKDBSA-N 0 0 304.438 2.362 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1)C(=O)OC ZINC000601771610 360140400 /nfs/dbraw/zinc/14/04/00/360140400.db2.gz JAUYLICWBNFXKK-DZGCQCFKSA-N 0 0 305.374 2.386 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccnn1C1CCCC1)C(=O)OC ZINC000601781002 360145442 /nfs/dbraw/zinc/14/54/42/360145442.db2.gz GQRCNISKDLYEMJ-CYBMUJFWSA-N 0 0 305.378 2.236 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCCc1csc(C)n1)C(=O)OC ZINC000601781808 360145572 /nfs/dbraw/zinc/14/55/72/360145572.db2.gz LCXFOWBIKHERHR-ZDUSSCGKSA-N 0 0 310.419 2.398 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCSCc1ccccn1)C(=O)OC ZINC000601785694 360148467 /nfs/dbraw/zinc/14/84/67/360148467.db2.gz NPKCQENPWSNWTA-AWEZNQCLSA-N 0 0 322.430 2.329 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cn(CCCC)nc1C)C(=O)OC ZINC000601785903 360148562 /nfs/dbraw/zinc/14/85/62/360148562.db2.gz FGNTZZOUCRKNAM-CQSZACIVSA-N 0 0 307.394 2.229 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cnc2onc(CC)c2c1)C(=O)OC ZINC000601785270 360148610 /nfs/dbraw/zinc/14/86/10/360148610.db2.gz KYIOVERWULCWIO-CYBMUJFWSA-N 0 0 317.345 2.023 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1csc(C(F)(F)F)n1)C(=O)OC ZINC000601785873 360148920 /nfs/dbraw/zinc/14/89/20/360148920.db2.gz DSLDHWUSDLZZLB-ZETCQYMHSA-N 0 0 322.308 2.400 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(F)c(F)c(F)c1)C(=O)OC ZINC000601786033 360149680 /nfs/dbraw/zinc/14/96/80/360149680.db2.gz OZYHZLYWVZPSBV-NSHDSACASA-N 0 0 301.264 2.342 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cnn(CC(C)C)c1C)C(=O)OC ZINC000601787991 360150549 /nfs/dbraw/zinc/15/05/49/360150549.db2.gz NTWORSUCOXYZQQ-AWEZNQCLSA-N 0 0 307.394 2.085 10 30 DEEERN CCOC(=O)[C@@H](C)N(C(=O)c1ccc(C#N)cc1C)C1CC1 ZINC000189389316 200391757 /nfs/dbraw/zinc/39/17/57/200391757.db2.gz IBCVEQZRGLYRDC-GFCCVEGCSA-N 0 0 300.358 2.423 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN[C@@H](C(=O)OC)c1cccc(OC)c1 ZINC000601930483 360196024 /nfs/dbraw/zinc/19/60/24/360196024.db2.gz WIIVVYNVZFYPFH-CWRNSKLLSA-N 0 0 305.374 2.090 10 30 DEEERN CC(=O)N1CCc2cc(C(=O)N(C)[C@H]3CCC[C@H]3C#N)ccc21 ZINC000601812474 360158639 /nfs/dbraw/zinc/15/86/39/360158639.db2.gz FNUILJCUBKQZCR-HOTGVXAUSA-N 0 0 311.385 2.360 10 30 DEEERN C=C(C)Cn1c(-c2cc[nH]n2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601869915 360179222 /nfs/dbraw/zinc/17/92/22/360179222.db2.gz HSWITTDRMACALZ-TZMCWYRMSA-N 0 0 311.393 2.373 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000602060074 360252738 /nfs/dbraw/zinc/25/27/38/360252738.db2.gz SHORCMOUKGYRKF-UHFFFAOYSA-N 0 0 300.362 2.000 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000602242632 360321589 /nfs/dbraw/zinc/32/15/89/360321589.db2.gz OWPNJUFHNMJSBZ-CYBMUJFWSA-N 0 0 313.401 2.454 10 30 DEEERN C=CCN(C(=O)c1nocc1C)c1nc(C(=O)OCC)cs1 ZINC000602245162 360321738 /nfs/dbraw/zinc/32/17/38/360321738.db2.gz SMMRFJPFIMQFRD-UHFFFAOYSA-N 0 0 321.358 2.449 10 30 DEEERN C=C(C)C[C@H](NCc1ccc(O[C@@H]2CCOC2)cc1)C(=O)OC ZINC000602739704 360529785 /nfs/dbraw/zinc/52/97/85/360529785.db2.gz SLSMZBJAHSGDHD-SJORKVTESA-N 0 0 319.401 2.452 10 30 DEEERN C=CCOc1ccccc1C(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000603106736 360703788 /nfs/dbraw/zinc/70/37/88/360703788.db2.gz SHTSOTVROSXZJB-GJZGRUSLSA-N 0 0 313.401 2.310 10 30 DEEERN C=CCCN(C)C(=O)c1ncc(I)s1 ZINC000603433580 360831420 /nfs/dbraw/zinc/83/14/20/360831420.db2.gz ZIWZJPHKTYNFDW-UHFFFAOYSA-N 0 0 322.171 2.396 10 30 DEEERN CCOC(=O)[C@@H](NCc1ccc(C#N)o1)c1cccc(O)c1 ZINC000191517846 200713943 /nfs/dbraw/zinc/71/39/43/200713943.db2.gz BCZBIEYFSLWWRN-HNNXBMFYSA-N 0 0 300.314 2.251 10 30 DEEERN C=CCOCCCC(=O)N1CCN(c2cccc(F)c2)CC1 ZINC000608555454 361231448 /nfs/dbraw/zinc/23/14/48/361231448.db2.gz SXOSTDJUUMLTME-UHFFFAOYSA-N 0 0 306.381 2.457 10 30 DEEERN Cc1ccc(CCNS(=O)(=O)c2ccc(F)c(C#N)c2)o1 ZINC000609134221 361282433 /nfs/dbraw/zinc/28/24/33/361282433.db2.gz JCBQVFLFDVFZTC-UHFFFAOYSA-N 0 0 308.334 2.120 10 30 DEEERN N#Cc1ccc(CNC(=O)NCCNc2ccccn2)c(F)c1 ZINC000609254240 361291285 /nfs/dbraw/zinc/29/12/85/361291285.db2.gz LNEASGPSXCKGMW-UHFFFAOYSA-N 0 0 313.336 2.004 10 30 DEEERN CCN(C[C@H]1CCOC1)C(=O)NCc1ccc(C#N)cc1F ZINC000609253546 361291997 /nfs/dbraw/zinc/29/19/97/361291997.db2.gz AULFBQRFOALHFO-CYBMUJFWSA-N 0 0 305.353 2.265 10 30 DEEERN CCNC(=S)N/N=C/c1c(C)nn(Cc2ccccc2)c1C ZINC000006296116 181327007 /nfs/dbraw/zinc/32/70/07/181327007.db2.gz AXWIWNWJEOUZTL-VCHYOVAHSA-N 0 0 315.446 2.366 10 30 DEEERN C[C@@H]1CN(C(=O)c2sccc2C#N)C[C@H](C(F)(F)F)O1 ZINC000610399172 361393291 /nfs/dbraw/zinc/39/32/91/361393291.db2.gz VXBYIRDRGARVSM-VXNVDRBHSA-N 0 0 304.293 2.412 10 30 DEEERN CC1CCC2(CC1)OC[C@H](CNC(=O)c1ccnc(C#N)c1)O2 ZINC000193768738 201119980 /nfs/dbraw/zinc/11/99/80/201119980.db2.gz GUTLUEOESABBPY-VXKCQOAXSA-N 0 0 315.373 2.005 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccc3c(c2)NC(=O)CO3)c1 ZINC000610519207 361414855 /nfs/dbraw/zinc/41/48/55/361414855.db2.gz VGLFYXKJZGUEPH-UHFFFAOYSA-N 0 0 307.309 2.070 10 30 DEEERN CCOC(=O)CCN(CC1CC1)C(=O)Cc1cccc(C#N)c1 ZINC000610520570 361414930 /nfs/dbraw/zinc/41/49/30/361414930.db2.gz CXBOEEKBINRUMD-UHFFFAOYSA-N 0 0 314.385 2.293 10 30 DEEERN C[C@H]1CN(C(=O)Cc2cccc(C#N)c2)C[C@H](C(F)(F)F)O1 ZINC000610522790 361416267 /nfs/dbraw/zinc/41/62/67/361416267.db2.gz PBROEGSGAWTFMG-GXFFZTMASA-N 0 0 312.291 2.279 10 30 DEEERN N#Cc1ccc(CNC(=O)N2CC[C@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000611004416 361512121 /nfs/dbraw/zinc/51/21/21/361512121.db2.gz IABGMMBJOFLAMS-GJZGRUSLSA-N 0 0 317.364 2.265 10 30 DEEERN Cc1cc(CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)ncn1 ZINC000611138583 361533146 /nfs/dbraw/zinc/53/31/46/361533146.db2.gz IXDQIPDFBXULTQ-KRWDZBQOSA-N 0 0 324.384 2.377 10 30 DEEERN C=CCOCCNC(=O)c1ccccc1S[C@@H](C)C(=O)OC ZINC000611547750 361628669 /nfs/dbraw/zinc/62/86/69/361628669.db2.gz SBEMBDVTCMIZHJ-LBPRGKRZSA-N 0 0 323.414 2.273 10 30 DEEERN C=C(C)CN(CC)c1nnc(-c2cn(C)nn2)n1CC(C)C ZINC000611809107 361687313 /nfs/dbraw/zinc/68/73/13/361687313.db2.gz UAKDTOLZTUDBEJ-UHFFFAOYSA-N 0 0 303.414 2.132 10 30 DEEERN C=C[C@@H](O)C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000611868577 361698013 /nfs/dbraw/zinc/69/80/13/361698013.db2.gz DLZBVXNUKKWAFX-OLZOCXBDSA-N 0 0 315.291 2.152 10 30 DEEERN CO[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000611958379 361712788 /nfs/dbraw/zinc/71/27/88/361712788.db2.gz RLIPZFLIXBKCCY-DYVFJYSZSA-N 0 0 324.421 2.276 10 30 DEEERN C[C@H](CO)COc1ccc(C#N)cc1I ZINC000619586138 363834081 /nfs/dbraw/zinc/83/40/81/363834081.db2.gz HREZSFIMGIXKOW-MRVPVSSYSA-N 0 0 317.126 2.170 10 30 DEEERN N#CCc1cccc(S(=O)(=O)NCC2CCC(C#N)CC2)c1 ZINC000619681799 363853010 /nfs/dbraw/zinc/85/30/10/363853010.db2.gz LHUGHNUXLPKDRO-UHFFFAOYSA-N 0 0 317.414 2.361 10 30 DEEERN N#CC1CCC(CNS(=O)(=O)C2Cc3ccccc3C2)CC1 ZINC000619681795 363853342 /nfs/dbraw/zinc/85/33/42/363853342.db2.gz CLPSOHLMSUCTGI-UHFFFAOYSA-N 0 0 318.442 2.403 10 30 DEEERN COc1cccc(S(=O)(=O)NCC2CCC(C#N)CC2)c1 ZINC000619681802 363853413 /nfs/dbraw/zinc/85/34/13/363853413.db2.gz MVSNWPJOIKTJAA-UHFFFAOYSA-N 0 0 308.403 2.303 10 30 DEEERN N#CC1CCC(CNC(=O)Cc2ccc3c(c2)NC(=O)C3)CC1 ZINC000619660041 363850074 /nfs/dbraw/zinc/85/00/74/363850074.db2.gz WFRJXKHEUIIBTL-UHFFFAOYSA-N 0 0 311.385 2.170 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000620314383 364013800 /nfs/dbraw/zinc/01/38/00/364013800.db2.gz CRQQTIJZYZMRSN-WHOHXGKFSA-N 0 0 316.323 2.153 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CCc3nccnc3C2)cc1 ZINC000620418747 364041308 /nfs/dbraw/zinc/04/13/08/364041308.db2.gz AEUZALZEXAASBD-UHFFFAOYSA-N 0 0 309.369 2.169 10 30 DEEERN C=CCN(CC=C)C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621563781 364456229 /nfs/dbraw/zinc/45/62/29/364456229.db2.gz NYOJMUSPCYQQFH-HNNXBMFYSA-N 0 0 320.414 2.040 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)N[C@@H](C(F)F)C1CCCCC1 ZINC000621499705 364427399 /nfs/dbraw/zinc/42/73/99/364427399.db2.gz CQHMMUKKDFYOJY-QWHCGFSZSA-N 0 0 302.365 2.274 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1 ZINC000628482395 366862918 /nfs/dbraw/zinc/86/29/18/366862918.db2.gz NEWYGKQZMSMQPS-CYBMUJFWSA-N 0 0 312.369 2.378 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)C1 ZINC000628484790 366864156 /nfs/dbraw/zinc/86/41/56/366864156.db2.gz VIVNOVFNUPELGA-GFCCVEGCSA-N 0 0 319.430 2.237 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CCn2cnc3sccc3c2=O)C1 ZINC000628484093 366864205 /nfs/dbraw/zinc/86/42/05/366864205.db2.gz DKYXRVRXLZQWQY-GFCCVEGCSA-N 0 0 317.414 2.273 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)C1 ZINC000628484820 366864218 /nfs/dbraw/zinc/86/42/18/366864218.db2.gz VSWLRYKDCXAFML-CYBMUJFWSA-N 0 0 323.396 2.381 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CCc2nc(-c3ccccn3)no2)C1 ZINC000628484995 366864239 /nfs/dbraw/zinc/86/42/39/366864239.db2.gz ACAZXUDQLDSHHH-ZDUSSCGKSA-N 0 0 312.373 2.489 10 30 DEEERN N#Cc1cccc(NC(=O)CN2CCC=C(Br)C2)c1 ZINC000281737856 216510701 /nfs/dbraw/zinc/51/07/01/216510701.db2.gz WSAWZBPINKWNIJ-UHFFFAOYSA-N 0 0 320.190 2.481 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000622829685 364807080 /nfs/dbraw/zinc/80/70/80/364807080.db2.gz MHKAODUUAATTOJ-AWEZNQCLSA-N 0 0 302.378 2.072 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC000622801852 364800191 /nfs/dbraw/zinc/80/01/91/364800191.db2.gz KLTAMJWRFGBCOX-QZTJIDSGSA-N 0 0 314.429 2.473 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(F)c(F)cc1OC ZINC000622873740 364817644 /nfs/dbraw/zinc/81/76/44/364817644.db2.gz ZNPDYMFYBWZZON-ZDUSSCGKSA-N 0 0 312.316 2.383 10 30 DEEERN C=CCNC(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000623337494 364992564 /nfs/dbraw/zinc/99/25/64/364992564.db2.gz MSVBAFBJDGQRQZ-CQSZACIVSA-N 0 0 309.797 2.030 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCC(=O)N2CCc3ccccc32)C1 ZINC000623545959 365072961 /nfs/dbraw/zinc/07/29/61/365072961.db2.gz JRYVTSRMNQJXFQ-AWEZNQCLSA-N 0 0 313.401 2.183 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCCNC(=O)c2cccs2)C1 ZINC000623471534 365041339 /nfs/dbraw/zinc/04/13/39/365041339.db2.gz CGMUMUZSEIGAKV-LBPRGKRZSA-N 0 0 307.419 2.086 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000623422053 365024742 /nfs/dbraw/zinc/02/47/42/365024742.db2.gz HYRZHMAXLNTZOS-UHFFFAOYSA-N 0 0 324.446 2.492 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCCn1c2ccccc2oc1=O ZINC000623579523 365087885 /nfs/dbraw/zinc/08/78/85/365087885.db2.gz GHPNJFNPOXUZRA-UHFFFAOYSA-N 0 0 317.389 2.496 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NC2CCN(c3cc(C)[nH]n3)CC2)C1 ZINC000623919217 365219453 /nfs/dbraw/zinc/21/94/53/365219453.db2.gz SCCZHXDLFYEHGX-AWEZNQCLSA-N 0 0 317.437 2.295 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCCc1cn2c(n1)SCC2 ZINC000623896194 365213257 /nfs/dbraw/zinc/21/32/57/365213257.db2.gz LMFQDRPPRCXFEB-UHFFFAOYSA-N 0 0 308.451 2.433 10 30 DEEERN C=C(C)[C@H](NC(=O)N[C@H]1C[C@H](C(N)=O)C1)c1ccc(F)c(F)c1 ZINC000623901836 365214360 /nfs/dbraw/zinc/21/43/60/365214360.db2.gz TXCSQEGDMLSQKO-MJVIPROJSA-N 0 0 323.343 2.145 10 30 DEEERN C=CCn1cc(CNC(=O)N2CCC[C@@H](C/C=C/C)C2)nn1 ZINC000624242528 365348326 /nfs/dbraw/zinc/34/83/26/365348326.db2.gz QAJQUDMOJPCPNG-LYKUJDHUSA-N 0 0 303.410 2.352 10 30 DEEERN C=CCCNC(=O)NC[C@@H]1CCN1Cc1ccc(OC)cc1 ZINC000624345861 365389745 /nfs/dbraw/zinc/38/97/45/365389745.db2.gz YHRWVFOKQJUAEG-HNNXBMFYSA-N 0 0 303.406 2.145 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC(CC(=O)N(C)C)CC1 ZINC000624463887 365429773 /nfs/dbraw/zinc/42/97/73/365429773.db2.gz CGPHFCKLVATOHY-UHFFFAOYSA-N 0 0 309.454 2.489 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC(c2nncn2C)CC1 ZINC000624468436 365431442 /nfs/dbraw/zinc/43/14/42/365431442.db2.gz KSPQZZNZJTUNGH-UHFFFAOYSA-N 0 0 305.426 2.306 10 30 DEEERN C=CCSc1ccccc1C(=O)NC[C@H](O)[C@@H]1CCCO1 ZINC000628592934 366891030 /nfs/dbraw/zinc/89/10/30/366891030.db2.gz BCWIRBAMDADZHZ-KBPBESRZSA-N 0 0 307.415 2.234 10 30 DEEERN C=CCC1(C(=O)NC[C@@H]2CCCN2CC(F)F)CCOCC1 ZINC000628631817 366908358 /nfs/dbraw/zinc/90/83/58/366908358.db2.gz OZZUSSURBFMLHY-ZDUSSCGKSA-N 0 0 316.392 2.205 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000449892174 241222597 /nfs/dbraw/zinc/22/25/97/241222597.db2.gz NEMFYIXYXOFJLE-IUODEOHRSA-N 0 0 303.406 2.468 10 30 DEEERN C=CCn1cc(C(=O)NC(C)(C)c2ccc(OC)c(F)c2)nn1 ZINC000628828498 366982260 /nfs/dbraw/zinc/98/22/60/366982260.db2.gz HUKWFUKSOFSESG-UHFFFAOYSA-N 0 0 318.352 2.277 10 30 DEEERN C=CCC1(C(=O)NCC(C)(C)C(=O)N2CCCC2)CCOCC1 ZINC000629062934 367065966 /nfs/dbraw/zinc/06/59/66/367065966.db2.gz JOZNIWJYTREABV-UHFFFAOYSA-N 0 0 322.449 2.124 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000629435304 367198401 /nfs/dbraw/zinc/19/84/01/367198401.db2.gz JXTLBNXTIVXERY-NVXWUHKLSA-N 0 0 317.433 2.001 10 30 DEEERN C=CCNC(=O)CNC(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000450447656 241843296 /nfs/dbraw/zinc/84/32/96/241843296.db2.gz XBDJKFMENCZHEZ-YPMHNXCESA-N 0 0 324.783 2.391 10 30 DEEERN C=CC1CCN(C(=O)Nc2cccc3c2NC(=O)CO3)CC1 ZINC000630348905 367604805 /nfs/dbraw/zinc/60/48/05/367604805.db2.gz OXNOFGSBXCLBBH-UHFFFAOYSA-N 0 0 301.346 2.447 10 30 DEEERN N#CCc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 ZINC000092131006 193165975 /nfs/dbraw/zinc/16/59/75/193165975.db2.gz XCTQNUKOWFOWRZ-UHFFFAOYSA-N 0 0 304.346 2.370 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCCOc2ccc(OC)cc2)C1=O ZINC000630968247 367941547 /nfs/dbraw/zinc/94/15/47/367941547.db2.gz CSIYOYPEMSJDJL-HNNXBMFYSA-N 0 0 318.373 2.351 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCCOc2ccc(F)cc2)C1=O ZINC000630968237 367941746 /nfs/dbraw/zinc/94/17/46/367941746.db2.gz CNINEEASQRRRMH-AWEZNQCLSA-N 0 0 306.337 2.481 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2cc(OC)ccc2OC)C1=O ZINC000630967924 367941748 /nfs/dbraw/zinc/94/17/48/367941748.db2.gz QKGMUXCPCQRSMB-ZDUSSCGKSA-N 0 0 304.346 2.090 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccccc2OCCOC)C1=O ZINC000630969580 367942417 /nfs/dbraw/zinc/94/24/17/367942417.db2.gz XBYJBDSXLPXDPD-CQSZACIVSA-N 0 0 318.373 2.098 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H]2COc3ccc(F)cc3C2)C1=O ZINC000630980854 367948509 /nfs/dbraw/zinc/94/85/09/367948509.db2.gz CHQYGUYKQNLOPT-CHWSQXEVSA-N 0 0 304.321 2.016 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccnc(OC(F)F)c2)C1=O ZINC000630982515 367949503 /nfs/dbraw/zinc/94/95/03/367949503.db2.gz NPJCKAZVLIZKAB-SNVBAGLBSA-N 0 0 311.288 2.070 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H]2C[C@H](c3ccccc3)CO2)C1=O ZINC000630986237 367951876 /nfs/dbraw/zinc/95/18/76/367951876.db2.gz IBDXJSAKACORMR-JYJNAYRXSA-N 0 0 314.385 2.446 10 30 DEEERN C=CCN1CC[C@H](N(C)c2nc(C3CC3)nc3[nH]ccc32)C1=O ZINC000631262652 368109760 /nfs/dbraw/zinc/10/97/60/368109760.db2.gz JDHSRTBYIPXVCV-ZDUSSCGKSA-N 0 0 311.389 2.058 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000631421689 368214369 /nfs/dbraw/zinc/21/43/69/368214369.db2.gz MBBQFVXZVILIQI-RTBURBONSA-N 0 0 322.364 2.389 10 30 DEEERN C=CCN1CCC(NS(=O)(=O)C2CCC(C)CC2)CC1 ZINC000631908956 368453960 /nfs/dbraw/zinc/45/39/60/368453960.db2.gz IXRTUBNCGYBWSE-UHFFFAOYSA-N 0 0 300.468 2.135 10 30 DEEERN CC[C@@H](C)CN(CC)S(=O)(=O)c1ccccc1C#CCO ZINC000093265087 193222847 /nfs/dbraw/zinc/22/28/47/193222847.db2.gz ZQDJRNBYBPJXKN-CQSZACIVSA-N 0 0 309.431 2.087 10 30 DEEERN CN[C@]1(C#N)CCC[C@@H]1CCSc1nnc(N(C)C)s1 ZINC000093581561 193269786 /nfs/dbraw/zinc/26/97/86/193269786.db2.gz HAFIMPSFSUQFOE-MFKMUULPSA-N 0 0 311.480 2.368 10 30 DEEERN CCCN[C@@]1(C#N)CC[C@@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093807036 193309196 /nfs/dbraw/zinc/30/91/96/193309196.db2.gz WSCOOJRPPPKGKH-RISCZKNCSA-N 0 0 309.439 2.059 10 30 DEEERN Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@](C)(N)C#N ZINC000094296723 193356558 /nfs/dbraw/zinc/35/65/58/193356558.db2.gz VRNVUECYAWBSOB-LLVKDONJSA-N 0 0 314.139 2.286 10 30 DEEERN Cc1ncccc1C(=O)NCc1ccc(C#CCCO)s1 ZINC000094649382 193390289 /nfs/dbraw/zinc/39/02/89/193390289.db2.gz ZPZVUDSAJQLVHP-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN C=C(C)CCNC(=O)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000453897722 245349842 /nfs/dbraw/zinc/34/98/42/245349842.db2.gz WEZHUVLFHVWHFI-UHFFFAOYSA-N 0 0 306.362 2.033 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](CC)[C@@H](C)O ZINC000453934982 245360159 /nfs/dbraw/zinc/36/01/59/245360159.db2.gz CWKZNYMLAAIVED-OCCSQVGLSA-N 0 0 304.390 2.019 10 30 DEEERN COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000246518727 284295078 /nfs/dbraw/zinc/29/50/78/284295078.db2.gz FRZDBECPQPHPLO-ULQDDVLXSA-N 0 0 314.385 2.273 10 30 DEEERN C=CCCOCCNS(=O)(=O)c1ccc2ncsc2c1 ZINC000274739544 211886342 /nfs/dbraw/zinc/88/63/42/211886342.db2.gz JAKQLVWUFXYZPE-UHFFFAOYSA-N 0 0 312.416 2.167 10 30 DEEERN CCC(CC)(CO)NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160721179 197434473 /nfs/dbraw/zinc/43/44/73/197434473.db2.gz XGNZFNBWFOIBCO-UHFFFAOYSA-N 0 0 316.810 2.041 10 30 DEEERN C=C(C(=O)OC)[C@H](O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000019835386 182154958 /nfs/dbraw/zinc/15/49/58/182154958.db2.gz PRSDMGLAQBZBKM-JTQLQIEISA-N 0 0 316.107 2.120 10 30 DEEERN C=CCC[C@H](NC(=O)c1ncccc1OC(C)C)C(=O)OCC ZINC000456632948 247324805 /nfs/dbraw/zinc/32/48/05/247324805.db2.gz URONXENUAHHMKX-ZDUSSCGKSA-N 0 0 320.389 2.497 10 30 DEEERN C=CCC[C@H](NC(=O)c1ccc(C#N)cc1C)C(=O)OCC ZINC000456631415 247326146 /nfs/dbraw/zinc/32/61/46/247326146.db2.gz SERPZKFFVYTRKE-HNNXBMFYSA-N 0 0 300.358 2.494 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCCS(=O)(=O)Cc1ccccc1 ZINC000274336159 211523078 /nfs/dbraw/zinc/52/30/78/211523078.db2.gz KRLFXMKKQXTYKG-AWEZNQCLSA-N 0 0 309.431 2.320 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)NC1CCN(c2ccccc2)CC1 ZINC000457954284 248089634 /nfs/dbraw/zinc/08/96/34/248089634.db2.gz RRSMEPMUTZIRHT-INIZCTEOSA-N 0 0 317.433 2.282 10 30 DEEERN C=CCNc1ncnc(Oc2ccc(C(=O)OC)cc2)c1N ZINC000040688860 183118169 /nfs/dbraw/zinc/11/81/69/183118169.db2.gz JIKBRFYRVHECFU-UHFFFAOYSA-N 0 0 300.318 2.236 10 30 DEEERN N#CCN(CC#N)c1ncnc(Nc2ccc(Cl)cc2)c1N ZINC000040736646 183127012 /nfs/dbraw/zinc/12/70/12/183127012.db2.gz JCNBPBGMRJSHOR-UHFFFAOYSA-N 0 0 313.752 2.309 10 30 DEEERN CCOc1ccc(Nc2ncnc(N(CC#N)CC#N)c2N)cc1 ZINC000040736660 183127177 /nfs/dbraw/zinc/12/71/77/183127177.db2.gz IEBWTQHSKJVSQK-UHFFFAOYSA-N 0 0 323.360 2.055 10 30 DEEERN CCOc1ccc([C@@H](C#N)N2CCN(C(=O)OC)CC2)cc1 ZINC000041261345 183182063 /nfs/dbraw/zinc/18/20/63/183182063.db2.gz JZTFWAPKRRKTOS-OAHLLOKOSA-N 0 0 303.362 2.034 10 30 DEEERN C=CCNC(=O)[C@H](C)Oc1c(Br)cccc1CO ZINC000042412409 183265768 /nfs/dbraw/zinc/26/57/68/183265768.db2.gz MJAFJXIBUAKLGN-VIFPVBQESA-N 0 0 314.179 2.011 10 30 DEEERN CC[C@@H](C#N)NS(=O)(=O)c1sccc1Br ZINC000042524365 183280400 /nfs/dbraw/zinc/28/04/00/183280400.db2.gz SDNSIOMLJKTWFC-LURJTMIESA-N 0 0 309.210 2.091 10 30 DEEERN C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1c1ccc(F)cc1C#N ZINC000284493552 218050590 /nfs/dbraw/zinc/05/05/90/218050590.db2.gz GOLVHFTWGVXQCO-OIISXLGYSA-N 0 0 304.365 2.454 10 30 DEEERN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000284790576 218179048 /nfs/dbraw/zinc/17/90/48/218179048.db2.gz MDPODTFFYOYMIC-NJAFHUGGSA-N 0 0 318.392 2.449 10 30 DEEERN CC(C)c1cc(C(=O)N2CCO[C@@H](C#N)C2)nn1C(C)(C)C ZINC000106047165 194182227 /nfs/dbraw/zinc/18/22/27/194182227.db2.gz SXPKUVRUVFKFBV-LBPRGKRZSA-N 0 0 304.394 2.126 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)[C@@H](OC)c1ccc(OC)cc1 ZINC000273446405 210781899 /nfs/dbraw/zinc/78/18/99/210781899.db2.gz XEPUXCOFYCDABY-JGGQBBKZSA-N 0 0 322.405 2.007 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)[C@H](OC)c1ccccc1F ZINC000273423127 210762260 /nfs/dbraw/zinc/76/22/60/210762260.db2.gz SDHZGMPQXCZKJY-JMSVASOKSA-N 0 0 310.369 2.138 10 30 DEEERN C=CCC(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl ZINC000054401337 183938668 /nfs/dbraw/zinc/93/86/68/183938668.db2.gz VJSWNMRNSSTBRE-UHFFFAOYSA-N 0 0 309.174 2.155 10 30 DEEERN OCC#Cc1ccc(CSc2nnc3ccccn32)s1 ZINC000061407670 184170433 /nfs/dbraw/zinc/17/04/33/184170433.db2.gz UVOZTJPOZYAWOL-UHFFFAOYSA-N 0 0 301.396 2.427 10 30 DEEERN O=C(Nc1cccc(Cl)c1F)c1ccc(C#CCO)cn1 ZINC000061861669 184189984 /nfs/dbraw/zinc/18/99/84/184189984.db2.gz KXTAKRIDFNMLSY-UHFFFAOYSA-N 0 0 304.708 2.470 10 30 DEEERN CN(c1cccc(C#N)c1)S(=O)(=O)Cc1ccccc1N ZINC000061979733 184199917 /nfs/dbraw/zinc/19/99/17/184199917.db2.gz MBYVAUUMRCSZLP-UHFFFAOYSA-N 0 0 301.371 2.107 10 30 DEEERN CC(C)CCCNS(=O)(=O)c1ccc(C#CCCO)cc1 ZINC000062096550 184205827 /nfs/dbraw/zinc/20/58/27/184205827.db2.gz YPVKJMOHZWXHQB-UHFFFAOYSA-N 0 0 309.431 2.135 10 30 DEEERN N#C[C@H]1CCC[C@H]1N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000061891854 184192996 /nfs/dbraw/zinc/19/29/96/184192996.db2.gz RVICGFLTUFDDFB-LERXQTSPSA-N 0 0 308.378 2.326 10 30 DEEERN Cc1cc(CCNS(=O)(=O)c2ccccc2C#N)c(C)[nH]1 ZINC000062576705 184243785 /nfs/dbraw/zinc/24/37/85/184243785.db2.gz SZTPVVWENFPDCD-UHFFFAOYSA-N 0 0 303.387 2.024 10 30 DEEERN C[C@@H](CC#N)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000063092745 184270193 /nfs/dbraw/zinc/27/01/93/184270193.db2.gz ZCIZBVOAWAEMLY-QMMMGPOBSA-N 0 0 317.754 2.171 10 30 DEEERN C=CCN(CC=C)CC(=O)Nc1cccc(C(=O)NC(C)C)c1 ZINC000066215809 184397176 /nfs/dbraw/zinc/39/71/76/184397176.db2.gz LIWXPVZKPZPBPR-UHFFFAOYSA-N 0 0 315.417 2.437 10 30 DEEERN CCC(C)(C)N(C)S(=O)(=O)c1cc(C#CCO)ccc1C ZINC000069462241 184517404 /nfs/dbraw/zinc/51/74/04/184517404.db2.gz PCWZPJKYTCCFTC-UHFFFAOYSA-N 0 0 309.431 2.148 10 30 DEEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cccc3c2OCC(=O)N3)C1 ZINC000116798725 194772535 /nfs/dbraw/zinc/77/25/35/194772535.db2.gz LPXACLHPXSVNFL-PIGZYNQJSA-N 0 0 313.357 2.220 10 30 DEEERN CNc1cc(N2CCC[C@@H]2CNc2ccc(C)c(C#N)n2)ncn1 ZINC000302672072 533051574 /nfs/dbraw/zinc/05/15/74/533051574.db2.gz RWUWJWSKIHYMRO-CYBMUJFWSA-N 0 0 323.404 2.174 10 30 DEEERN C[C@H](OS(C)(=O)=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095089561 299566641 /nfs/dbraw/zinc/56/66/41/299566641.db2.gz GJNHGTRDRKWTBE-WDEREUQCSA-N 0 0 307.412 2.141 10 30 DEEERN C#CC[C@H](CC)Nc1ncncc1I ZINC000159187127 197333688 /nfs/dbraw/zinc/33/36/88/197333688.db2.gz AVFSNFXODOKWMB-QMMMGPOBSA-N 0 0 301.131 2.295 10 30 DEEERN CSCC[C@@H](C)N(C)S(=O)(=O)Cc1ccccc1C#N ZINC000158446675 197273364 /nfs/dbraw/zinc/27/33/64/197273364.db2.gz PLHFPUIYRFPAQV-GFCCVEGCSA-N 0 0 312.460 2.461 10 30 DEEERN COc1cc(S(=O)(=O)OCC(F)(F)C(F)F)ccc1F ZINC000190438258 533103592 /nfs/dbraw/zinc/10/35/92/533103592.db2.gz GIOWLWROFWDFCU-UHFFFAOYSA-N 0 0 320.235 2.440 10 30 DEEERN CC(C)(C)c1ccc([C@H](O)[C@]2(C#N)CCS(=O)(=O)C2)cc1 ZINC000157639349 197203475 /nfs/dbraw/zinc/20/34/75/197203475.db2.gz AGQGKXRZWZQANL-HOCLYGCPSA-N 0 0 307.415 2.346 10 30 DEEERN C[C@@H]1CCCN(S(=O)(=O)N(CCC#N)CC(C)(C)C)C1 ZINC000113289962 296393635 /nfs/dbraw/zinc/39/36/35/296393635.db2.gz KWJGWGDEWCOFBJ-CYBMUJFWSA-N 0 0 301.456 2.225 10 30 DEEERN N#Cc1cccc(OCc2cccc(C(=O)N3CC(CO)C3)c2)c1 ZINC000157017281 197155343 /nfs/dbraw/zinc/15/53/43/197155343.db2.gz XCQBINVOIPHXDJ-UHFFFAOYSA-N 0 0 322.364 2.202 10 30 DEEERN C=C(Cn1cc(Br)cc(C)c1=O)C(=O)OCC ZINC000156906288 197149136 /nfs/dbraw/zinc/14/91/36/197149136.db2.gz JNOTXFKZORJGHL-UHFFFAOYSA-N 0 0 300.152 2.039 10 30 DEEERN N#Cc1cccc(CC(=O)NCc2ccc(OC(F)F)cn2)c1 ZINC000558699334 291903374 /nfs/dbraw/zinc/90/33/74/291903374.db2.gz MQKTWRSUZQPSAI-UHFFFAOYSA-N 0 0 317.295 2.414 10 30 DEEERN CS(=O)(=O)c1csc(C(=O)Nc2sccc2C#N)c1 ZINC000155517176 197063359 /nfs/dbraw/zinc/06/33/59/197063359.db2.gz WMCLYBNOZIMYGJ-UHFFFAOYSA-N 0 0 312.397 2.337 10 30 DEEERN C[C@H](NC(=O)c1cc(C#N)cn1C)c1noc(-c2ccccc2)n1 ZINC000152196655 196786973 /nfs/dbraw/zinc/78/69/73/196786973.db2.gz KKOPPJLEFDRTSG-NSHDSACASA-N 0 0 321.340 2.438 10 30 DEEERN N#CC1(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)CCCC1 ZINC000121959806 195382603 /nfs/dbraw/zinc/38/26/03/195382603.db2.gz NJLWYTCIDDPOMK-UHFFFAOYSA-N 0 0 310.357 2.122 10 30 DEEERN CCc1[nH]c(C(=O)NC2(C#N)CCCC2)c(C)c1C(=O)OC ZINC000122004963 195389036 /nfs/dbraw/zinc/38/90/36/195389036.db2.gz JLASKYUVVDXSBP-UHFFFAOYSA-N 0 0 303.362 2.238 10 30 DEEERN CCc1nc(Br)cc(N(CCC#N)CCOC)n1 ZINC000124435890 195642175 /nfs/dbraw/zinc/64/21/75/195642175.db2.gz SVFXGDAOSCIUJH-UHFFFAOYSA-N 0 0 313.199 2.168 10 30 DEEERN C[C@H]1CCO[C@H]1C(=O)Nc1cc(C#CCCO)ccc1Cl ZINC000124445121 195642582 /nfs/dbraw/zinc/64/25/82/195642582.db2.gz GDDKBAPFRQSKLF-XHDPSFHLSA-N 0 0 307.777 2.437 10 30 DEEERN C[C@H]1CCO[C@H]1C(=O)Nc1ccc(Cl)cc1C#CCCO ZINC000124455148 195643619 /nfs/dbraw/zinc/64/36/19/195643619.db2.gz UDCKKYNNRZUONS-XHDPSFHLSA-N 0 0 307.777 2.437 10 30 DEEERN CSC[C@@H](C)N(C)C(=O)c1ccc(C#CCCO)cc1F ZINC000124521648 195650314 /nfs/dbraw/zinc/65/03/14/195650314.db2.gz RQLLUKXIYHAJCF-GFCCVEGCSA-N 0 0 309.406 2.383 10 30 DEEERN C=CCCCN(C)C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000125360398 195741612 /nfs/dbraw/zinc/74/16/12/195741612.db2.gz YUPUKIRUYFLIAA-LBPRGKRZSA-N 0 0 307.360 2.478 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCCN(c2ccccc2)CC1 ZINC000176803231 132522488 /nfs/dbraw/zinc/52/24/88/132522488.db2.gz ZOKZDGGFRDYMFV-UHFFFAOYSA-N 0 0 308.385 2.249 10 30 DEEERN COc1cc(OC)c(C(=O)Nc2cc(C#N)ccn2)cc1OC ZINC000357420098 133076986 /nfs/dbraw/zinc/07/69/86/133076986.db2.gz FJKLBUMFMRHMHS-UHFFFAOYSA-N 0 0 313.313 2.231 10 30 DEEERN COC(=O)[C@@H](CNC(=O)c1sccc1C#N)c1ccccc1 ZINC000359667897 133138273 /nfs/dbraw/zinc/13/82/73/133138273.db2.gz RCMHGEXJNZKSRK-ZDUSSCGKSA-N 0 0 314.366 2.306 10 30 DEEERN N#Cc1ccc(C(=O)N2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000360573532 133191359 /nfs/dbraw/zinc/19/13/59/133191359.db2.gz HASIGTAHFUGJGQ-GOSISDBHSA-N 0 0 322.364 2.478 10 30 DEEERN Cn1nccc1[C@H]1CCCN(C(=O)c2sccc2C#N)C1 ZINC000373863247 133406841 /nfs/dbraw/zinc/40/68/41/133406841.db2.gz AOCBLEAPRPEMJS-LBPRGKRZSA-N 0 0 300.387 2.373 10 30 DEEERN CC(C)CN1CCN(c2cc(C#N)c3ccccc3n2)CC1=O ZINC000548286556 285711433 /nfs/dbraw/zinc/71/14/33/285711433.db2.gz OPZDXDRIQRILSC-UHFFFAOYSA-N 0 0 308.385 2.411 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1CCO[C@H](COC(C)C)C1 ZINC000563926806 292080061 /nfs/dbraw/zinc/08/00/61/292080061.db2.gz UAKKZKXZZCGICE-HNNXBMFYSA-N 0 0 302.374 2.391 10 30 DEEERN C=C(C)CNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000342274757 404479727 /nfs/dbraw/zinc/47/97/27/404479727.db2.gz PLIUAQVTTNNNHA-UKRRQHHQSA-N 0 0 301.390 2.051 10 30 DEEERN Cc1ccccc1CC(=O)N1CCN(Cc2ccc(C#N)o2)CC1 ZINC000092733365 144607357 /nfs/dbraw/zinc/60/73/57/144607357.db2.gz JPXPJWLEENJGSO-UHFFFAOYSA-N 0 0 323.396 2.347 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(N(C)C)n1 ZINC000121083765 144680008 /nfs/dbraw/zinc/68/00/08/144680008.db2.gz VPXNKLDDRYAVAT-GFCCVEGCSA-N 0 0 310.357 2.425 10 30 DEEERN C[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)C1CCOCC1 ZINC000134784483 144781905 /nfs/dbraw/zinc/78/19/05/144781905.db2.gz NUPSKIBGORPQJW-CYBMUJFWSA-N 0 0 317.389 2.051 10 30 DEEERN N#Cc1ccc(OCC(=O)N2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000135785068 144787080 /nfs/dbraw/zinc/78/70/80/144787080.db2.gz JZOQWLZCPNMGKM-KRWDZBQOSA-N 0 0 323.352 2.012 10 30 DEEERN Cc1cc(N2CC[C@@H](Sc3ccccc3C#N)C2=O)n(C)n1 ZINC000173714686 144847939 /nfs/dbraw/zinc/84/79/39/144847939.db2.gz YVNDRFBYKJDRBC-CQSZACIVSA-N 0 0 312.398 2.498 10 30 DEEERN N#Cc1ccc(OCCNC(=O)COc2ccccc2F)cc1 ZINC000173882961 144851557 /nfs/dbraw/zinc/85/15/57/144851557.db2.gz XCEDVZQONCJLCE-UHFFFAOYSA-N 0 0 314.316 2.271 10 30 DEEERN CC[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CCN1CC(F)F ZINC000188745442 145016916 /nfs/dbraw/zinc/01/69/16/145016916.db2.gz RWGQVWNGEWYCNJ-CYBMUJFWSA-N 0 0 323.343 2.065 10 30 DEEERN N#Cc1ccc(C[S@](=O)Cc2cccc(C(N)=O)c2)cc1F ZINC000190768123 145047655 /nfs/dbraw/zinc/04/76/55/145047655.db2.gz YLKDONIZUBDETB-JOCHJYFZSA-N 0 0 316.357 2.245 10 30 DEEERN CCS(=O)(=O)NCCCSCc1ccc(C#N)c(F)c1 ZINC000190987807 145051943 /nfs/dbraw/zinc/05/19/43/145051943.db2.gz HTXKEBHFPDLKRJ-UHFFFAOYSA-N 0 0 316.423 2.260 10 30 DEEERN N#Cc1cc(C(=O)Nc2ccccc2O[C@H]2CCOC2)ccn1 ZINC000193532148 145087287 /nfs/dbraw/zinc/08/72/87/145087287.db2.gz XCRAANZGNRTSRL-AWEZNQCLSA-N 0 0 309.325 2.373 10 30 DEEERN COCCn1c(NC(=O)c2ccnc(C#N)c2)nc2ccccc21 ZINC000193831293 145091033 /nfs/dbraw/zinc/09/10/33/145091033.db2.gz PQOXTVPXMVRTPY-UHFFFAOYSA-N 0 0 321.340 2.202 10 30 DEEERN CC(=O)N(C)CCc1noc(C2(c3ccc(C#N)cc3)CC2)n1 ZINC000346644419 146115859 /nfs/dbraw/zinc/11/58/59/146115859.db2.gz CFHKMIVXCDECSA-UHFFFAOYSA-N 0 0 310.357 2.042 10 30 DEEERN Cn1ccc([C@H](NC(=O)c2ccc(C#N)[nH]2)c2ccc(F)cc2)n1 ZINC000358917275 147230622 /nfs/dbraw/zinc/23/06/22/147230622.db2.gz FDSTWFHUONQXJJ-MRXNPFEDSA-N 0 0 323.331 2.278 10 30 DEEERN Cc1cc(C#N)nc(N[C@@H]2CCCN(Cc3ccccc3)C2=O)n1 ZINC000367338863 147745320 /nfs/dbraw/zinc/74/53/20/147745320.db2.gz GFOPCXNDVHSCSH-MRXNPFEDSA-N 0 0 321.384 2.260 10 30 DEEERN Cc1cccc(NC[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)n1 ZINC000371500146 148110594 /nfs/dbraw/zinc/11/05/94/148110594.db2.gz LOWYQDDVBJTFKE-OAHLLOKOSA-N 0 0 309.373 2.307 10 30 DEEERN N#Cc1ccc(OCC(=O)Nc2cccc(-c3nc[nH]n3)c2)cc1 ZINC000371680097 148129461 /nfs/dbraw/zinc/12/94/61/148129461.db2.gz XEZXKPYONJSTDJ-UHFFFAOYSA-N 0 0 319.324 2.361 10 30 DEEERN Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)n1 ZINC000375033753 148320867 /nfs/dbraw/zinc/32/08/67/148320867.db2.gz BBYVPZLUJFIEGI-MRXNPFEDSA-N 0 0 311.389 2.395 10 30 DEEERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCc2ccc(C#N)cc21 ZINC000408001537 148553592 /nfs/dbraw/zinc/55/35/92/148553592.db2.gz BCOKZBOFAKPWFF-OAHLLOKOSA-N 0 0 311.385 2.094 10 30 DEEERN Cc1nc([C@H]2CCCCCN2C(=O)c2ccnc(C#N)c2)no1 ZINC000408322534 148589400 /nfs/dbraw/zinc/58/94/00/148589400.db2.gz UVOLWGBGSLVUKT-CQSZACIVSA-N 0 0 311.345 2.402 10 30 DEEERN C=CCCOCCNC(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000127098725 401720532 /nfs/dbraw/zinc/72/05/32/401720532.db2.gz WOGNZBUDSXCUED-CYBMUJFWSA-N 0 0 310.419 2.424 10 30 DEEERN CN(CCO)c1ccc(C=[NH+][N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000005688136 401730113 /nfs/dbraw/zinc/73/01/13/401730113.db2.gz UDPCVEGHCRWVQE-SFQUDFHCSA-N 0 0 314.345 2.469 10 30 DEEERN Cc1ccccc1NC(=O)C(=O)NCCOc1ccc(C#N)cc1 ZINC000076509189 401797698 /nfs/dbraw/zinc/79/76/98/401797698.db2.gz KSDCXFSBFUEEJP-UHFFFAOYSA-N 0 0 323.352 2.000 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC1CCC1 ZINC000129393313 401803347 /nfs/dbraw/zinc/80/33/47/401803347.db2.gz BKWJPAVLRIKXBH-UHFFFAOYSA-N 0 0 309.373 2.042 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000075198326 401754336 /nfs/dbraw/zinc/75/43/36/401754336.db2.gz LPCIRNISAVYQIR-AGIUHOORSA-N 0 0 309.410 2.440 10 30 DEEERN C#CCN(CC#C)C(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000075400029 401758998 /nfs/dbraw/zinc/75/89/98/401758998.db2.gz VOFWXDYOUPEWJU-HUUCEWRRSA-N 0 0 318.417 2.165 10 30 DEEERN CC[C@H]1CCCCCN1C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000075503686 401760983 /nfs/dbraw/zinc/76/09/83/401760983.db2.gz UDNRGPXSMLPDJO-INIZCTEOSA-N 0 0 313.401 2.469 10 30 DEEERN N#Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1 ZINC000114998155 401817496 /nfs/dbraw/zinc/81/74/96/401817496.db2.gz ASVARLPBXUBQLJ-UHFFFAOYSA-N 0 0 310.332 2.055 10 30 DEEERN CCn1nccc1/C=C/C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000130287116 401826158 /nfs/dbraw/zinc/82/61/58/401826158.db2.gz JXADNELKRNAZJZ-VMPITWQZSA-N 0 0 322.368 2.078 10 30 DEEERN C#CCCCCNC(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000130620720 401835898 /nfs/dbraw/zinc/83/58/98/401835898.db2.gz DTBBWEUCGLTDFT-INIZCTEOSA-N 0 0 319.449 2.270 10 30 DEEERN N#Cc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)nc1 ZINC000026704576 401841682 /nfs/dbraw/zinc/84/16/82/401841682.db2.gz WCWJIUGHGXWSRQ-UHFFFAOYSA-N 0 0 313.405 2.118 10 30 DEEERN N#Cc1cccc(-c2cc(C(=O)N3CCO[C@@H](C4CC4)C3)on2)c1 ZINC000329907499 404489290 /nfs/dbraw/zinc/48/92/90/404489290.db2.gz SZJNHTGQBUXUBY-QGZVFWFLSA-N 0 0 323.352 2.464 10 30 DEEERN C=CCC(CC=C)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000132368521 401865992 /nfs/dbraw/zinc/86/59/92/401865992.db2.gz VMZPEASDQLJAHI-QGZVFWFLSA-N 0 0 306.450 2.468 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCCCNc1ccccn1 ZINC000118724684 401905183 /nfs/dbraw/zinc/90/51/83/401905183.db2.gz YNSWJQVYNPOKAO-CQSZACIVSA-N 0 0 324.384 2.339 10 30 DEEERN C#CCSCCNC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000118983407 401917207 /nfs/dbraw/zinc/91/72/07/401917207.db2.gz YAWRMCZPWGMKKU-LBPRGKRZSA-N 0 0 310.444 2.197 10 30 DEEERN C=CCCS(=O)(=O)NCC1(O)CCC(C(C)(C)C)CC1 ZINC000119021925 401919301 /nfs/dbraw/zinc/91/93/01/401919301.db2.gz BXUIFOXIAXQHJA-UHFFFAOYSA-N 0 0 303.468 2.449 10 30 DEEERN CCOC(=O)CC[C@H](C)NC(=O)NCc1cccc(C#N)c1 ZINC000089889528 401971079 /nfs/dbraw/zinc/97/10/79/401971079.db2.gz KODAOERZEFSVEG-LBPRGKRZSA-N 0 0 303.362 2.089 10 30 DEEERN N#Cc1ccc(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000135439738 401939318 /nfs/dbraw/zinc/93/93/18/401939318.db2.gz QMYIFDPSRLCBCE-KRWDZBQOSA-N 0 0 308.337 2.478 10 30 DEEERN N#CCOc1ccccc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119404879 401948317 /nfs/dbraw/zinc/94/83/17/401948317.db2.gz HNGXUYJLHNQUHP-KDOFPFPSSA-N 0 0 314.385 2.356 10 30 DEEERN C#CCSCCNC(=O)N1CCC[C@@H](n2ccnc2CC)C1 ZINC000121434487 402035456 /nfs/dbraw/zinc/03/54/56/402035456.db2.gz SGFPLAPSFWDVLC-CQSZACIVSA-N 0 0 320.462 2.158 10 30 DEEERN C=C(C)COCCNC(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000151514161 402041132 /nfs/dbraw/zinc/04/11/32/402041132.db2.gz FCETWMVYGAZTQN-UHFFFAOYSA-N 0 0 320.437 2.385 10 30 DEEERN C=C[C@H](CC(=O)NC[C@@H](C)N1CCOCC1)c1ccccc1 ZINC000152077084 402074194 /nfs/dbraw/zinc/07/41/94/402074194.db2.gz UUXKEBBJJMPRLU-HZPDHXFCSA-N 0 0 302.418 2.183 10 30 DEEERN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)CC#N)cc1Cl ZINC000122802210 402095353 /nfs/dbraw/zinc/09/53/53/402095353.db2.gz WSMFPPKKNXWUHH-SNVBAGLBSA-N 0 0 323.780 2.484 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](NC(=O)CCC)C1 ZINC000101563885 402148915 /nfs/dbraw/zinc/14/89/15/402148915.db2.gz FYJWMRZUONCKLN-JKSUJKDBSA-N 0 0 323.481 2.180 10 30 DEEERN CC[C@@H](C#N)NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000123898208 402153147 /nfs/dbraw/zinc/15/31/47/402153147.db2.gz STLGEDZEXWTJHL-GXTWGEPZSA-N 0 0 300.362 2.101 10 30 DEEERN N#Cc1cc(N[C@@H]2CCS(=O)(=O)C2)ccc1C(F)(F)F ZINC000154037958 402188846 /nfs/dbraw/zinc/18/88/46/402188846.db2.gz MVUWFPDSODYTNY-SNVBAGLBSA-N 0 0 304.293 2.176 10 30 DEEERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(C#N)cn1 ZINC000107438011 402233226 /nfs/dbraw/zinc/23/32/26/402233226.db2.gz CUASNIBLWWWQEO-UHFFFAOYSA-N 0 0 317.352 2.411 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)C[C@H]1CCCOC1 ZINC000107655398 402237159 /nfs/dbraw/zinc/23/71/59/402237159.db2.gz HBWGWCVOZBXBCK-ZIAGYGMSSA-N 0 0 302.374 2.211 10 30 DEEERN N#C[C@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)C1CC1 ZINC000108837522 402262565 /nfs/dbraw/zinc/26/25/65/402262565.db2.gz WSXLBEPLEPBKLC-LBPRGKRZSA-N 0 0 306.749 2.072 10 30 DEEERN C[C@@H]1Sc2ccc(C(=O)N[C@H](C#N)C3CC3)cc2NC1=O ZINC000108833800 402262632 /nfs/dbraw/zinc/26/26/32/402262632.db2.gz ARUMCSHKGVQEFW-QPUJVOFHSA-N 0 0 301.371 2.151 10 30 DEEERN Cc1nc(Cc2noc([C@H](C)Oc3ccccc3C#N)n2)no1 ZINC000109511486 402272778 /nfs/dbraw/zinc/27/27/78/402272778.db2.gz DVTVRLXKTPJPCO-VIFPVBQESA-N 0 0 311.301 2.364 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000184785681 402299750 /nfs/dbraw/zinc/29/97/50/402299750.db2.gz BULHPGNFKBMEOZ-CYBMUJFWSA-N 0 0 305.378 2.462 10 30 DEEERN Cc1oc(NC(=O)CN(C)[C@H](CO)CC(C)C)c(C#N)c1C ZINC000185331120 402343725 /nfs/dbraw/zinc/34/37/25/402343725.db2.gz BBCXEIWCABGPBF-ZDUSSCGKSA-N 0 0 307.394 2.045 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000185410074 402350801 /nfs/dbraw/zinc/35/08/01/402350801.db2.gz CNIJRIMCDIJHJQ-DIFFPNOSSA-N 0 0 315.373 2.282 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000185518845 402358693 /nfs/dbraw/zinc/35/86/93/402358693.db2.gz VDAPFHKOEIRNOU-BBRMVZONSA-N 0 0 305.422 2.330 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1SCC ZINC000185727259 402372100 /nfs/dbraw/zinc/37/21/00/402372100.db2.gz PZELYTLJWQUXRE-SNVBAGLBSA-N 0 0 310.375 2.374 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(C(C)C)nc2onc(C)c21 ZINC000185750763 402374304 /nfs/dbraw/zinc/37/43/04/402374304.db2.gz VEKHXKCDCRGVNS-NSHDSACASA-N 0 0 303.362 2.321 10 30 DEEERN C=C(C)CNC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1 ZINC000161220117 402378432 /nfs/dbraw/zinc/37/84/32/402378432.db2.gz KNRIUSBBWDZRGE-KRWDZBQOSA-N 0 0 323.396 2.115 10 30 DEEERN CCN(CC(F)F)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185811940 402379456 /nfs/dbraw/zinc/37/94/56/402379456.db2.gz RCTBWHGEBYVPMD-UHFFFAOYSA-N 0 0 308.737 2.487 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1nc(-c2ccsc2)oc1C ZINC000185817599 402380335 /nfs/dbraw/zinc/38/03/35/402380335.db2.gz DPHVFPQQRXVHLP-GFCCVEGCSA-N 0 0 306.387 2.307 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1csc(-c2cccs2)n1 ZINC000185831974 402381152 /nfs/dbraw/zinc/38/11/52/402381152.db2.gz YVHUPKONGAJGQY-SNVBAGLBSA-N 0 0 308.428 2.467 10 30 DEEERN Cc1nc(C)c(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)nc1C ZINC000185240053 402337878 /nfs/dbraw/zinc/33/78/78/402337878.db2.gz FTOFSORDIGGESH-UHFFFAOYSA-N 0 0 322.368 2.177 10 30 DEEERN N#C[C@@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C1CC1 ZINC000161821824 402400271 /nfs/dbraw/zinc/40/02/71/402400271.db2.gz ZZECDMIRIUBQMO-BDJLRTHQSA-N 0 0 313.382 2.034 10 30 DEEERN N#C[C@@H](NC(=O)[C@H]1CCCCN1C(=O)c1cccs1)C1CC1 ZINC000161856375 402401795 /nfs/dbraw/zinc/40/17/95/402401795.db2.gz LFUWUTARFIZAMZ-CHWSQXEVSA-N 0 0 317.414 2.161 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000186149948 402405419 /nfs/dbraw/zinc/40/54/19/402405419.db2.gz WYDHQZLXHGXIIK-QWHCGFSZSA-N 0 0 324.446 2.456 10 30 DEEERN N#Cc1csc(C(=O)N2CCO[C@H](c3nccs3)C2)c1 ZINC000177472062 402406707 /nfs/dbraw/zinc/40/67/07/402406707.db2.gz ICGMDBLWHGXQMJ-JTQLQIEISA-N 0 0 305.384 2.290 10 30 DEEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)/C=C/c1ccccc1C#N ZINC000177721866 402429902 /nfs/dbraw/zinc/42/99/02/402429902.db2.gz DOUYXVQSDCUQRA-HVHJFMEUSA-N 0 0 307.357 2.123 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(F)ccc1OC(F)F ZINC000186619550 402448568 /nfs/dbraw/zinc/44/85/68/402448568.db2.gz BJZWMKIWZNCIFH-SECBINFHSA-N 0 0 304.268 2.486 10 30 DEEERN N#CC1(CS(=O)(=O)NCc2ccccc2OC2CCC2)CC1 ZINC000165371529 402475566 /nfs/dbraw/zinc/47/55/66/402475566.db2.gz JLPKJHFUZZILFU-UHFFFAOYSA-N 0 0 320.414 2.341 10 30 DEEERN CC#CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000245701336 402480847 /nfs/dbraw/zinc/48/08/47/402480847.db2.gz NFFZIWNHZGHVRN-CABCVRRESA-N 0 0 305.809 2.408 10 30 DEEERN N#Cc1ccc(C2(C(=O)N3C[C@H]4CCC[C@@H](C3)C4O)CC2)cc1 ZINC000187117616 402483956 /nfs/dbraw/zinc/48/39/56/402483956.db2.gz WJQIDRGGGVUUMB-FKEKPDDDSA-N 0 0 310.397 2.209 10 30 DEEERN Cc1cnc(CCN(C)S(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000167386884 402491110 /nfs/dbraw/zinc/49/11/10/402491110.db2.gz OAFLEBIOOVPGHA-UHFFFAOYSA-N 0 0 321.427 2.186 10 30 DEEERN N#Cc1ccc(F)c(CNc2cc(-n3cnnn3)ccc2F)c1 ZINC000178372638 402491200 /nfs/dbraw/zinc/49/12/00/402491200.db2.gz ZAVDBHXZVMGOFA-UHFFFAOYSA-N 0 0 312.283 2.424 10 30 DEEERN CNC(=O)c1cccc(CNC(=O)c2ccc(C#N)cc2C)c1 ZINC000178580539 402513711 /nfs/dbraw/zinc/51/37/11/402513711.db2.gz GJBPGLDIUSWVCB-UHFFFAOYSA-N 0 0 307.353 2.156 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000169064930 402499931 /nfs/dbraw/zinc/49/99/31/402499931.db2.gz KWBFPSYDOGBQDE-CHWSQXEVSA-N 0 0 300.362 2.032 10 30 DEEERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)OCC(C)(C)C#N ZINC000187628141 402506589 /nfs/dbraw/zinc/50/65/89/402506589.db2.gz NZVVTGSDTLDRGW-WDEREUQCSA-N 0 0 314.357 2.427 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)N1CCC(n2cncn2)CC1 ZINC000178537355 402509395 /nfs/dbraw/zinc/50/93/95/402509395.db2.gz YDZZGARGWDPSBE-UHFFFAOYSA-N 0 0 310.361 2.327 10 30 DEEERN COC(=O)[C@H](NCc1ccc(C#N)o1)c1ccc2c(c1)CCO2 ZINC000189613541 402548039 /nfs/dbraw/zinc/54/80/39/402548039.db2.gz UZOVXQGGCYFGOK-MRXNPFEDSA-N 0 0 312.325 2.090 10 30 DEEERN C=CCn1c(S[C@H]2CCNC2=O)nnc1-c1ccc(C)cc1 ZINC000179007645 402563913 /nfs/dbraw/zinc/56/39/13/402563913.db2.gz UEBVBXKDSJXCKO-ZDUSSCGKSA-N 0 0 314.414 2.420 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NCc1cccc(CO)c1 ZINC000171508437 402590044 /nfs/dbraw/zinc/59/00/44/402590044.db2.gz MMKAJYUCOPINOQ-ZDUSSCGKSA-N 0 0 310.353 2.134 10 30 DEEERN C=CC1CCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000171837441 402627744 /nfs/dbraw/zinc/62/77/44/402627744.db2.gz DOXLHXABWANCIB-OAHLLOKOSA-N 0 0 315.421 2.053 10 30 DEEERN C[C@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CCS1 ZINC000171702947 402611680 /nfs/dbraw/zinc/61/16/80/402611680.db2.gz CXSBIHKHWSBICU-AWEZNQCLSA-N 0 0 303.431 2.371 10 30 DEEERN C=CCOc1ccccc1CNC(=O)Nc1ccc(=O)n(C)c1 ZINC000171814424 402624781 /nfs/dbraw/zinc/62/47/81/402624781.db2.gz PNTVWABUOUJXRH-UHFFFAOYSA-N 0 0 313.357 2.272 10 30 DEEERN N#Cc1cccc(NC(=O)C(=O)NC/C=C/c2ccccc2)c1 ZINC000171873177 402630960 /nfs/dbraw/zinc/63/09/60/402630960.db2.gz KAYHUURQXJXYCA-WEVVVXLNSA-N 0 0 305.337 2.326 10 30 DEEERN C=CCSCCNC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000171905191 402632375 /nfs/dbraw/zinc/63/23/75/402632375.db2.gz ZOQMLIMAEKYRPE-LLVKDONJSA-N 0 0 313.448 2.145 10 30 DEEERN C[C@H]1CC(O)C[C@H](C)N1CC(=O)N(CCC#N)c1ccccc1 ZINC000191172654 402648122 /nfs/dbraw/zinc/64/81/22/402648122.db2.gz KXZJEIUILXDTRJ-GJZGRUSLSA-N 0 0 315.417 2.167 10 30 DEEERN C#CCSCCNC(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000174283187 402734926 /nfs/dbraw/zinc/73/49/26/402734926.db2.gz UEQMFSFRZHGOST-ZIAGYGMSSA-N 0 0 306.435 2.032 10 30 DEEERN C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000174767779 402756241 /nfs/dbraw/zinc/75/62/41/402756241.db2.gz CYAGTFXVFTTXSR-WFASDCNBSA-N 0 0 318.396 2.321 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCCN(CC)c1ccccc1 ZINC000182870852 402723310 /nfs/dbraw/zinc/72/33/10/402723310.db2.gz ILCMVGYPOWPBAZ-HNNXBMFYSA-N 0 0 305.422 2.139 10 30 DEEERN COCCC[C@H](C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183681408 402788635 /nfs/dbraw/zinc/78/86/35/402788635.db2.gz DBDBQIIOHQLXAQ-LBPRGKRZSA-N 0 0 313.361 2.140 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)c2cc(Cl)c[nH]2)cn1 ZINC000184275980 402832036 /nfs/dbraw/zinc/83/20/36/402832036.db2.gz WACPNDWZBUJZJK-UHFFFAOYSA-N 0 0 312.720 2.373 10 30 DEEERN CC(C)(C)c1ccc(OCC(=O)N2CCOC[C@@H]2C#N)cc1 ZINC000175880893 402840099 /nfs/dbraw/zinc/84/00/99/402840099.db2.gz DMMFTVNKXWRFRG-AWEZNQCLSA-N 0 0 302.374 2.114 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)C#Cc2ccccc2)cn1 ZINC000183658663 402786641 /nfs/dbraw/zinc/78/66/41/402786641.db2.gz AMBUSSUWOVJJKL-UHFFFAOYSA-N 0 0 313.320 2.129 10 30 DEEERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183681966 402788511 /nfs/dbraw/zinc/78/85/11/402788511.db2.gz WDXBXUUUISKCKF-ABAIWWIYSA-N 0 0 323.356 2.083 10 30 DEEERN C#CCOc1ccccc1NC(=O)C(=O)N(C)CCCC=C ZINC000184468382 402845584 /nfs/dbraw/zinc/84/55/84/402845584.db2.gz ZHLZUVWSFGXZLT-UHFFFAOYSA-N 0 0 300.358 2.062 10 30 DEEERN C=CCNC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264169136 402853402 /nfs/dbraw/zinc/85/34/02/402853402.db2.gz YDLPEBFVQXITOX-CQSZACIVSA-N 0 0 313.401 2.092 10 30 DEEERN C=CCOc1cccc(NC(=O)[C@H](C)CN2CCOCC2)c1 ZINC000273040774 402965305 /nfs/dbraw/zinc/96/53/05/402965305.db2.gz GFOWCZPNGUXAQK-CQSZACIVSA-N 0 0 304.390 2.158 10 30 DEEERN CC(C)(C)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C#N)C[C@@H]1O ZINC000273313566 402993141 /nfs/dbraw/zinc/99/31/41/402993141.db2.gz NWZHLAQRVIPKIX-STQMWFEESA-N 0 0 304.350 2.095 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000281213347 403060902 /nfs/dbraw/zinc/06/09/02/403060902.db2.gz CMENKTDCIGJUMC-HZPDHXFCSA-N 0 0 317.433 2.340 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N(C)[C@H](CO)CC(C)C ZINC000274942291 403097711 /nfs/dbraw/zinc/09/77/11/403097711.db2.gz OAMKMBZIWVHCJR-INIZCTEOSA-N 0 0 318.417 2.247 10 30 DEEERN N#Cc1ccccc1OCC(=O)N1CCC=C(Br)C1 ZINC000282125237 403124827 /nfs/dbraw/zinc/12/48/27/403124827.db2.gz GRKRONOQCZYGSI-UHFFFAOYSA-N 0 0 321.174 2.448 10 30 DEEERN C[C@H](C#N)CN(C)S(=O)(=O)N1CCc2sccc2[C@H]1C ZINC000282956841 403164167 /nfs/dbraw/zinc/16/41/67/403164167.db2.gz VSEUPZDGTWVHAJ-GHMZBOCLSA-N 0 0 313.448 2.003 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)Nc1nnc(OC)s1 ZINC000282978168 403164444 /nfs/dbraw/zinc/16/44/44/403164444.db2.gz ZMUGFUVAZVEAJK-UHFFFAOYSA-N 0 0 308.363 2.402 10 30 DEEERN C=CCSCCNc1ccc(C(=O)NC2CCCC2)nn1 ZINC000269370728 403134279 /nfs/dbraw/zinc/13/42/79/403134279.db2.gz PGWUQOCLTCQTOQ-UHFFFAOYSA-N 0 0 306.435 2.480 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC000282651525 403157990 /nfs/dbraw/zinc/15/79/90/403157990.db2.gz QNUHGMCWYHIFRQ-IHRRRGAJSA-N 0 0 306.410 2.034 10 30 DEEERN C=CCn1c(N2CC[C@@](O)(C(F)(F)F)C2)nnc1C(C)(C)C ZINC000283416854 403196223 /nfs/dbraw/zinc/19/62/23/403196223.db2.gz GGTCJXJTXGYSRL-ZDUSSCGKSA-N 0 0 318.343 2.265 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000297970366 403296281 /nfs/dbraw/zinc/29/62/81/403296281.db2.gz XOTZROYQLATPBN-OAHLLOKOSA-N 0 0 301.390 2.170 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](CO)C1CCCC1 ZINC000292144342 403304149 /nfs/dbraw/zinc/30/41/49/403304149.db2.gz YLHZZJOFRLBPES-QZTJIDSGSA-N 0 0 314.429 2.471 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)Cc1ccccc1N(C)C ZINC000298073860 403315984 /nfs/dbraw/zinc/31/59/84/403315984.db2.gz YRSQIDNZABGJNW-UHFFFAOYSA-N 0 0 317.433 2.136 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@H]2CCC[C@H](CO)C2)cc1 ZINC000298552046 403412147 /nfs/dbraw/zinc/41/21/47/403412147.db2.gz YXZHGMGPOSVRPR-HOTGVXAUSA-N 0 0 303.402 2.461 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)NCCC1CCS(=O)(=O)CC1 ZINC000342972049 403414703 /nfs/dbraw/zinc/41/47/03/403414703.db2.gz PCVRJHFAVRGKID-CYBMUJFWSA-N 0 0 316.467 2.245 10 30 DEEERN C=C[C@](C)(CCOC)c1nc(C2(COC)CCOCC2)no1 ZINC000293314574 403441289 /nfs/dbraw/zinc/44/12/89/403441289.db2.gz YUGDFDSOHZZSNM-OAHLLOKOSA-N 0 0 310.394 2.244 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCC3(C)C)cc2C1=O ZINC000345728212 403457858 /nfs/dbraw/zinc/45/78/58/403457858.db2.gz MODAQBOIAAZQRD-CQSZACIVSA-N 0 0 312.369 2.387 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)c1cc(C(=O)OC)on1 ZINC000343128891 403471186 /nfs/dbraw/zinc/47/11/86/403471186.db2.gz BMOIPHHLIPWXMV-UHFFFAOYSA-N 0 0 318.304 2.429 10 30 DEEERN C=CCCOCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000343299568 403530309 /nfs/dbraw/zinc/53/03/09/403530309.db2.gz GPRQUTLVLAVNOY-CABCVRRESA-N 0 0 310.438 2.026 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](OC)C1 ZINC000287450439 403602166 /nfs/dbraw/zinc/60/21/66/403602166.db2.gz QOUDHZGINFSPLE-IAGOWNOFSA-N 0 0 300.402 2.441 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCOCC(F)F ZINC000287336784 403578111 /nfs/dbraw/zinc/57/81/11/403578111.db2.gz VSPOUBWSGYFWRK-AWEZNQCLSA-N 0 0 310.344 2.202 10 30 DEEERN C=CCNC(=O)Cc1noc(-c2[nH]c3ccccc3c2OC)n1 ZINC000346963164 403608745 /nfs/dbraw/zinc/60/87/45/403608745.db2.gz JSKGEWYZYZAHMS-UHFFFAOYSA-N 0 0 312.329 2.071 10 30 DEEERN N#Cc1cc(F)ccc1N1CCCN(C(=O)c2ccncc2)CC1 ZINC000301387075 403622944 /nfs/dbraw/zinc/62/29/44/403622944.db2.gz XOVQGJNWHWXWEV-UHFFFAOYSA-N 0 0 324.359 2.445 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1cnn(C)c1 ZINC000287620853 403636604 /nfs/dbraw/zinc/63/66/04/403636604.db2.gz ZSSDKJRVELPFJL-QGZVFWFLSA-N 0 0 310.401 2.196 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000287723273 403655534 /nfs/dbraw/zinc/65/55/34/403655534.db2.gz NWPOHHNWGLRUFA-KZNAEPCWSA-N 0 0 314.429 2.471 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 ZINC000288003405 403707181 /nfs/dbraw/zinc/70/71/81/403707181.db2.gz BKZYOTQUPWUSEE-BZNIZROVSA-N 0 0 322.792 2.276 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000288791686 403770464 /nfs/dbraw/zinc/77/04/64/403770464.db2.gz ZIIQRQHATGRBGL-GFCCVEGCSA-N 0 0 320.437 2.206 10 30 DEEERN N#Cc1ccc(CN2CC[C@@H](Nc3ccc(C#N)nc3)C2=O)cc1 ZINC000302706536 403713850 /nfs/dbraw/zinc/71/38/50/403713850.db2.gz GZVSUGKPTXAUHX-QGZVFWFLSA-N 0 0 317.352 2.038 10 30 DEEERN N#Cc1ccc(N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)nc1 ZINC000302748174 403721143 /nfs/dbraw/zinc/72/11/43/403721143.db2.gz UFHHLBKAAKMVCD-HNNXBMFYSA-N 0 0 310.332 2.305 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(C)(O)CC1 ZINC000288252361 403742633 /nfs/dbraw/zinc/74/26/33/403742633.db2.gz SWJVLGNXPYTTJX-INIZCTEOSA-N 0 0 300.402 2.177 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](O)[C@@H](C)CC ZINC000288312386 403745352 /nfs/dbraw/zinc/74/53/52/403745352.db2.gz WYUVMIDNIXPAOS-USXIJHARSA-N 0 0 302.418 2.327 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](O)[C@@H](C)CC ZINC000288312380 403745365 /nfs/dbraw/zinc/74/53/65/403745365.db2.gz WYUVMIDNIXPAOS-UAGQMJEPSA-N 0 0 302.418 2.327 10 30 DEEERN C=CCN1CC[C@H](Sc2n[nH]c(-c3ccccc3)n2)C1=O ZINC000347659402 403795422 /nfs/dbraw/zinc/79/54/22/403795422.db2.gz AIGLXRUXJJWLQX-LBPRGKRZSA-N 0 0 300.387 2.351 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCC(C)(C)O ZINC000361769220 403853556 /nfs/dbraw/zinc/85/35/56/403853556.db2.gz FWBMHSKRPALPDS-UHFFFAOYSA-N 0 0 321.377 2.453 10 30 DEEERN C=C(C)CCNC(=O)C(=O)Nc1cccc(Cl)c1C(=O)OC ZINC000411580760 403902468 /nfs/dbraw/zinc/90/24/68/403902468.db2.gz WSHUORDABQUNNU-UHFFFAOYSA-N 0 0 324.764 2.148 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@@H](CC)[C@@H](O)C(F)F)cc1 ZINC000295404962 403905830 /nfs/dbraw/zinc/90/58/30/403905830.db2.gz HICMOFKSKXCUIS-DZGCQCFKSA-N 0 0 313.344 2.315 10 30 DEEERN C#Cc1ccc(CNC(=O)CCCC(=O)N(CC)CC)cc1 ZINC000295555974 403988245 /nfs/dbraw/zinc/98/82/45/403988245.db2.gz TYDSQMAYKHNBLC-UHFFFAOYSA-N 0 0 300.402 2.323 10 30 DEEERN C=CCOCC(=O)N[C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000362598588 403973636 /nfs/dbraw/zinc/97/36/36/403973636.db2.gz FZQQXKDRGLSHAE-JTQLQIEISA-N 0 0 312.391 2.008 10 30 DEEERN C=C[C@H](C)NC(=O)[C@@H](NC(=O)NCc1ccc(F)cc1)C(C)C ZINC000362616506 403975074 /nfs/dbraw/zinc/97/50/74/403975074.db2.gz WZOAJIMYQBTGHZ-WFASDCNBSA-N 0 0 321.396 2.340 10 30 DEEERN C=CCOC[C@H]1NC(=O)N(Cc2ccc(C(F)F)cc2)C1=O ZINC000348573604 404081048 /nfs/dbraw/zinc/08/10/48/404081048.db2.gz NLUVETOBEXMWFA-GFCCVEGCSA-N 0 0 310.300 2.247 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)c3scnc3C)C2)n1 ZINC000328612920 404113973 /nfs/dbraw/zinc/11/39/73/404113973.db2.gz QBDMLGNXGCILQW-LLVKDONJSA-N 0 0 319.390 2.343 10 30 DEEERN CS[C@@H]1CCC[C@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000363227085 404120906 /nfs/dbraw/zinc/12/09/06/404120906.db2.gz CXHMBYJDDKOUTQ-NWANDNLSSA-N 0 0 322.478 2.042 10 30 DEEERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1csc(=O)[nH]1 ZINC000328647343 404122973 /nfs/dbraw/zinc/12/29/73/404122973.db2.gz HKKACTAOQNXTKR-CMPLNLGQSA-N 0 0 305.359 2.469 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)C[C@H]1CCCCO1)CCC2 ZINC000328655500 404123822 /nfs/dbraw/zinc/12/38/22/404123822.db2.gz MXDQCNYSZLQZRK-LSDHHAIUSA-N 0 0 320.437 2.484 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000328688380 404130985 /nfs/dbraw/zinc/13/09/85/404130985.db2.gz HRCFEIKVPQEMIW-ZJIFWQFVSA-N 0 0 323.433 2.492 10 30 DEEERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ncoc1C1CC1)CC2 ZINC000328801760 404153187 /nfs/dbraw/zinc/15/31/87/404153187.db2.gz AKTKFQAYZRZVDX-JTQLQIEISA-N 0 0 301.350 2.026 10 30 DEEERN Cn1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCO[C@@H]2C2CC2)cn1 ZINC000328854638 404161267 /nfs/dbraw/zinc/16/12/67/404161267.db2.gz WPAIHLFLUHJVSD-QLFBSQMISA-N 0 0 304.394 2.039 10 30 DEEERN N#C[C@@H]1CN(Cc2ccccc2OC(F)F)CCN1C1CC1 ZINC000363500883 404168880 /nfs/dbraw/zinc/16/88/80/404168880.db2.gz RSJCTOODZABCIF-CQSZACIVSA-N 0 0 307.344 2.460 10 30 DEEERN Cc1noc([C@H](NC(=O)N2CCC[C@H](C)C2)C2CCOCC2)n1 ZINC000328947514 404181061 /nfs/dbraw/zinc/18/10/61/404181061.db2.gz VWWMGQAQPZZUEJ-SMDDNHRTSA-N 0 0 322.409 2.492 10 30 DEEERN O=C(Nc1scnc1C1CC1)N1CCc2cncnc2C1 ZINC000328955814 404181818 /nfs/dbraw/zinc/18/18/18/404181818.db2.gz ZAWANHCZUTWTMA-UHFFFAOYSA-N 0 0 301.375 2.414 10 30 DEEERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NC[C@@H]1CCC[C@H]1O ZINC000328970637 404186699 /nfs/dbraw/zinc/18/66/99/404186699.db2.gz ONLVJAPTFAOWCG-LXTVHRRPSA-N 0 0 303.406 2.271 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000352176526 404192367 /nfs/dbraw/zinc/19/23/67/404192367.db2.gz QATKZMHDVJAUQN-JTQLQIEISA-N 0 0 323.336 2.229 10 30 DEEERN C=CCN(C1CC1)S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000290853948 404338613 /nfs/dbraw/zinc/33/86/13/404338613.db2.gz WUMVGYQZIAIXCT-UHFFFAOYSA-N 0 0 313.375 2.022 10 30 DEEERN CC1(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)COC1 ZINC000329323629 404301537 /nfs/dbraw/zinc/30/15/37/404301537.db2.gz VFPQOHXRWIXXJJ-UHFFFAOYSA-N 0 0 316.401 2.418 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](c1nc(C)cs1)C(F)(F)F ZINC000296795074 404324970 /nfs/dbraw/zinc/32/49/70/404324970.db2.gz CJSGLNFDUQTFHV-RKDXNWHRSA-N 0 0 323.340 2.291 10 30 DEEERN CC(C)CC1(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000364359089 404366098 /nfs/dbraw/zinc/36/60/98/404366098.db2.gz MVEQJFZJIDZNHK-OAHLLOKOSA-N 0 0 304.438 2.194 10 30 DEEERN COc1cnccc1[C@H](C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329556972 404374070 /nfs/dbraw/zinc/37/40/70/404374070.db2.gz HNRKORUIOIVFDJ-TZQJONAQSA-N 0 0 306.362 2.159 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2C[C@@H](OCC)[C@H]2n2cccn2)CCC1 ZINC000342134252 404390259 /nfs/dbraw/zinc/39/02/59/404390259.db2.gz YFMDJIVFRGTUEQ-KFWWJZLASA-N 0 0 303.406 2.464 10 30 DEEERN Cn1cc(NC(=O)N2CC[C@@H]([C@H]3CCOC3)C2)c(C2CC2)n1 ZINC000329606911 404390824 /nfs/dbraw/zinc/39/08/24/404390824.db2.gz IFDBQVZQNNJKOE-OLZOCXBDSA-N 0 0 304.394 2.201 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N1CCSCC1 ZINC000350597906 404421015 /nfs/dbraw/zinc/42/10/15/404421015.db2.gz LAPXHIBUNBTAHD-UHFFFAOYSA-N 0 0 304.419 2.396 10 30 DEEERN [O-]C(N[C@@H]1CCOc2ccccc21)=[NH+][C@@H]1CCc2nc[nH]c2C1 ZINC000329688008 404423944 /nfs/dbraw/zinc/42/39/44/404423944.db2.gz FYOHRIQRQVQKTD-DGCLKSJQSA-N 0 0 312.373 2.294 10 30 DEEERN C=CCn1c(-c2ncccc2C)nnc1N1CCCO[C@@H](C)C1 ZINC000351077150 404509982 /nfs/dbraw/zinc/50/99/82/404509982.db2.gz UYOOZXBOAOGBGB-AWEZNQCLSA-N 0 0 313.405 2.450 10 30 DEEERN O=C(NCc1nnc2n1CCCC2)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000329732147 404435439 /nfs/dbraw/zinc/43/54/39/404435439.db2.gz QBEDWDOGKVBEST-HNNXBMFYSA-N 0 0 315.421 2.293 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N(CC1CC1)C1CCC1 ZINC000350730978 404452950 /nfs/dbraw/zinc/45/29/50/404452950.db2.gz XEZULAYBYRDNNU-OAHLLOKOSA-N 0 0 318.421 2.321 10 30 DEEERN CNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCN2Cc2ccccc2)C1 ZINC000329802996 404457099 /nfs/dbraw/zinc/45/70/99/404457099.db2.gz KXOVNLKNCIVYMQ-CVEARBPZSA-N 0 0 315.417 2.086 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N(CC)Cc1cnn(C)c1 ZINC000350742074 404458969 /nfs/dbraw/zinc/45/89/69/404458969.db2.gz TYDFBDNFURDNKY-UHFFFAOYSA-N 0 0 312.377 2.484 10 30 DEEERN Cc1cc(C[C@@H](C)NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)[nH]n1 ZINC000330198064 404582947 /nfs/dbraw/zinc/58/29/47/404582947.db2.gz SRYQVYJXMUXMFR-WDBKCZKBSA-N 0 0 317.393 2.117 10 30 DEEERN Cc1cc(NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)c(=O)n(C)c1 ZINC000330095485 404549441 /nfs/dbraw/zinc/54/94/41/404549441.db2.gz VOJJYWYKIPGZFV-DZGCQCFKSA-N 0 0 313.357 2.455 10 30 DEEERN C=C(C)[C@H](Cc1nc(Cc2nc(C3CC3)nn2C)no1)OCC ZINC000351364860 404562841 /nfs/dbraw/zinc/56/28/41/404562841.db2.gz HBMFWSIRHDSRTF-LBPRGKRZSA-N 0 0 317.393 2.190 10 30 DEEERN O=C(N[C@@H]1CCc2c1cccc2O)N1CCO[C@H](C2CC2)C1 ZINC000330177216 404574775 /nfs/dbraw/zinc/57/47/75/404574775.db2.gz KNIVIXRZQMXCRL-ZBFHGGJFSA-N 0 0 302.374 2.404 10 30 DEEERN Cc1ccccc1-n1nccc1CN1CCN(C2CC2)[C@@H](C#N)C1 ZINC000365418681 404653818 /nfs/dbraw/zinc/65/38/18/404653818.db2.gz OVYANNOQNUSMNV-SFHVURJKSA-N 0 0 321.428 2.353 10 30 DEEERN C#Cc1ccc(CNC(=O)N(C)C[C@H]2CCCC[C@H]2O)cc1 ZINC000297712648 404599303 /nfs/dbraw/zinc/59/93/03/404599303.db2.gz RYVJWQVOLSYPLD-IAGOWNOFSA-N 0 0 300.402 2.360 10 30 DEEERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000330265924 404607512 /nfs/dbraw/zinc/60/75/12/404607512.db2.gz ZXVWHFLGJUJGSN-PMPSAXMXSA-N 0 0 320.437 2.323 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC1(CCO)CCC1 ZINC000330325252 404627196 /nfs/dbraw/zinc/62/71/96/404627196.db2.gz JCXFFFVYNACYNX-TZMCWYRMSA-N 0 0 307.394 2.007 10 30 DEEERN C=C(C)[C@@H](NC(=O)N1CC(=O)N(C)C1)c1ccc(F)c(F)c1 ZINC000357692239 404740898 /nfs/dbraw/zinc/74/08/98/404740898.db2.gz CKHKACAMHIAQKV-CQSZACIVSA-N 0 0 309.316 2.023 10 30 DEEERN CC1(C#N)CCN(C(=O)C(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000356966322 404723003 /nfs/dbraw/zinc/72/30/03/404723003.db2.gz CWZSXWLXOLZZBQ-UHFFFAOYSA-N 0 0 322.368 2.207 10 30 DEEERN C[C@@H](C(=O)N1CCC(C)(C#N)CC1)n1nnc(-c2ccccc2)n1 ZINC000356967108 404723073 /nfs/dbraw/zinc/72/30/73/404723073.db2.gz DYEKTWBVXYDNOY-ZDUSSCGKSA-N 0 0 324.388 2.053 10 30 DEEERN CC(C)[C@@H](C(=O)N1CCC(C)(C#N)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000356991382 404723878 /nfs/dbraw/zinc/72/38/78/404723878.db2.gz TVELJOZUEFLPKL-XHSDSOJGSA-N 0 0 321.465 2.272 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000358970254 404780663 /nfs/dbraw/zinc/78/06/63/404780663.db2.gz DFEPAMMGFQHHHG-NSHDSACASA-N 0 0 308.353 2.046 10 30 DEEERN C=C(C)Cn1c(COCC)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359116214 404784354 /nfs/dbraw/zinc/78/43/54/404784354.db2.gz OPFZUJWNWKOMFF-OAHLLOKOSA-N 0 0 319.453 2.064 10 30 DEEERN C=CCCCCNC(=O)C(=O)N[C@H](C)CCc1ccc(C)o1 ZINC000359257625 404787994 /nfs/dbraw/zinc/78/79/94/404787994.db2.gz HXWRYSQJRLYCAI-CYBMUJFWSA-N 0 0 306.406 2.498 10 30 DEEERN C=CCC1(C(=O)N2CCN(c3cccc(C#N)n3)CC2)CCC1 ZINC000359883840 404807936 /nfs/dbraw/zinc/80/79/36/404807936.db2.gz XVSRANCBQUVSGR-UHFFFAOYSA-N 0 0 310.401 2.348 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000376934315 404830909 /nfs/dbraw/zinc/83/09/09/404830909.db2.gz RNHRFTLUSVFIKQ-ROUUACIJSA-N 0 0 312.388 2.350 10 30 DEEERN C=CCCS(=O)(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000366734914 404839652 /nfs/dbraw/zinc/83/96/52/404839652.db2.gz DQARFZDSZYCGKB-JKSUJKDBSA-N 0 0 317.414 2.224 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000367208417 404964689 /nfs/dbraw/zinc/96/46/89/404964689.db2.gz WFPJTKRMZOYGEQ-INWMFGNUSA-N 0 0 318.421 2.078 10 30 DEEERN C#CCCCCC(=O)N1CCCN(C(=O)c2ccco2)CC1 ZINC000367371159 405028680 /nfs/dbraw/zinc/02/86/80/405028680.db2.gz IOQRTTBQNDUMCQ-UHFFFAOYSA-N 0 0 302.374 2.148 10 30 DEEERN C=CCOC[C@H](NC(=O)C/C=C\c1ccc(C)cc1)C(=O)OC ZINC000435934134 405028923 /nfs/dbraw/zinc/02/89/23/405028923.db2.gz GYTLROZWCDBNLY-KJPDOMRESA-N 0 0 317.385 2.259 10 30 DEEERN N#Cc1ccnc(NC(=O)Cc2cc(F)cc3c2OCOC3)c1 ZINC000436008395 405035860 /nfs/dbraw/zinc/03/58/60/405035860.db2.gz UBNPANDVJKHPNM-UHFFFAOYSA-N 0 0 313.288 2.140 10 30 DEEERN Cc1cc(C#N)nc(N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)n1 ZINC000367425783 405044333 /nfs/dbraw/zinc/04/43/33/405044333.db2.gz IFOYBPBZGCULGC-WFASDCNBSA-N 0 0 307.357 2.263 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000451886898 405079869 /nfs/dbraw/zinc/07/98/69/405079869.db2.gz DVHQQOQYWQNTEN-UHFFFAOYSA-N 0 0 307.353 2.290 10 30 DEEERN Cc1nc([C@@H]2CCCCCN2C(=O)c2cc(C#N)ccn2)no1 ZINC000408159436 405128155 /nfs/dbraw/zinc/12/81/55/405128155.db2.gz QNKQLTPODKXHLW-AWEZNQCLSA-N 0 0 311.345 2.402 10 30 DEEERN C=CCC1(C(=O)NC[C@H](c2ccco2)N(C)C)CCOCC1 ZINC000424545142 405114048 /nfs/dbraw/zinc/11/40/48/405114048.db2.gz OIKUMGKUXHAZFQ-CQSZACIVSA-N 0 0 306.406 2.371 10 30 DEEERN C[C@H]1CCOCCN1CC(=O)Nc1ccccc1SCC#N ZINC000367655986 405116367 /nfs/dbraw/zinc/11/63/67/405116367.db2.gz FGPFUOBFPMVTIJ-ZDUSSCGKSA-N 0 0 319.430 2.352 10 30 DEEERN C=C(Cl)CN1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000367863015 405177778 /nfs/dbraw/zinc/17/77/78/405177778.db2.gz LYYQLYLHLQYPDV-QWHCGFSZSA-N 0 0 306.793 2.248 10 30 DEEERN C=C(C)CN(C)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000367940778 405197258 /nfs/dbraw/zinc/19/72/58/405197258.db2.gz GUTOEAUAOUTGFC-WBVHZDCISA-N 0 0 316.401 2.249 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C ZINC000424920922 405213012 /nfs/dbraw/zinc/21/30/12/405213012.db2.gz DOTXEIYNJPYBES-KKUMJFAQSA-N 0 0 324.465 2.271 10 30 DEEERN C=CCCn1cc(C(=O)N(CC)CCc2nccs2)nn1 ZINC000424780984 405176498 /nfs/dbraw/zinc/17/64/98/405176498.db2.gz YARQYYOKNSZTIM-UHFFFAOYSA-N 0 0 305.407 2.016 10 30 DEEERN C=CCn1cc(CNC(=O)N[C@H](C)c2ccccc2OC)nn1 ZINC000425384119 405283098 /nfs/dbraw/zinc/28/30/98/405283098.db2.gz MTNHNONRHJSVSA-GFCCVEGCSA-N 0 0 315.377 2.033 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1ccncc1OC ZINC000437868662 405222846 /nfs/dbraw/zinc/22/28/46/405222846.db2.gz LFVLCFIXHHRQMS-WWGRRREGSA-N 0 0 319.405 2.432 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1OCC ZINC000425416342 405287664 /nfs/dbraw/zinc/28/76/64/405287664.db2.gz LISXZDDTBYYSRP-GJZGRUSLSA-N 0 0 304.390 2.476 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000452690925 405227613 /nfs/dbraw/zinc/22/76/13/405227613.db2.gz DBXOTQQJEVVOEB-GUTXKFCHSA-N 0 0 308.328 2.480 10 30 DEEERN C=C(C)CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000452718494 405232904 /nfs/dbraw/zinc/23/29/04/405232904.db2.gz PTERZMMGAPVYDQ-WBVHZDCISA-N 0 0 316.401 2.297 10 30 DEEERN C=C(C)CCNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000452723332 405233858 /nfs/dbraw/zinc/23/38/58/405233858.db2.gz MZQLDQPFZAHMQC-CQSZACIVSA-N 0 0 306.431 2.364 10 30 DEEERN C=CC(C)(C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000452779470 405241762 /nfs/dbraw/zinc/24/17/62/405241762.db2.gz UBRALXZGQSVLLM-AWEZNQCLSA-N 0 0 316.401 2.325 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000452922688 405259902 /nfs/dbraw/zinc/25/99/02/405259902.db2.gz DVYPSBOOGOATSO-VYDXJSESSA-N 0 0 314.385 2.421 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C)c(C(=O)OC)c1 ZINC000425645921 405309720 /nfs/dbraw/zinc/30/97/20/405309720.db2.gz ACEZMZQMWTZLLL-WFASDCNBSA-N 0 0 318.373 2.494 10 30 DEEERN C=CCn1cc(CNC(=O)Nc2cc(C)c(OC)cc2C)nn1 ZINC000425685751 405313700 /nfs/dbraw/zinc/31/37/00/405313700.db2.gz UMWQUPSJAJUZAU-UHFFFAOYSA-N 0 0 315.377 2.411 10 30 DEEERN C=CC[C@H](CC)NC(=O)NC(C)(C)c1nocc1C(=O)OC ZINC000425755196 405318144 /nfs/dbraw/zinc/31/81/44/405318144.db2.gz JTICQHBUPVRIBY-JTQLQIEISA-N 0 0 309.366 2.350 10 30 DEEERN C=CCN(Cc1ncnn1CCF)Cc1cccc([N+](=O)[O-])c1 ZINC000440702223 405323524 /nfs/dbraw/zinc/32/35/24/405323524.db2.gz CSJMSIGPJDHBRB-UHFFFAOYSA-N 0 0 319.340 2.344 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)C1Cc2ccccc2C1 ZINC000425851208 405324268 /nfs/dbraw/zinc/32/42/68/405324268.db2.gz HDULVHWGTXVGSQ-RDJZCZTQSA-N 0 0 300.402 2.386 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CCC(C(C)C)CC1 ZINC000425896455 405328207 /nfs/dbraw/zinc/32/82/07/405328207.db2.gz XZJXGLCLEZCXKA-GRAKBVBRSA-N 0 0 322.449 2.025 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]1CC(C)(C)C ZINC000425908996 405329043 /nfs/dbraw/zinc/32/90/43/405329043.db2.gz LQDOTEPCCLPWRS-KKUMJFAQSA-N 0 0 322.449 2.121 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCc1nc(C(C)C)no1 ZINC000426086861 405338464 /nfs/dbraw/zinc/33/84/64/405338464.db2.gz BWBNGUOYFFTLRY-TZMCWYRMSA-N 0 0 307.394 2.223 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C)N(C)c1ccccc1 ZINC000425453343 405293234 /nfs/dbraw/zinc/29/32/34/405293234.db2.gz PSUAOZAKYQSHLH-ZOBUZTSGSA-N 0 0 317.433 2.402 10 30 DEEERN C=C(CC)CNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000454044512 405294474 /nfs/dbraw/zinc/29/44/74/405294474.db2.gz LTIFLMOTRWBLJI-UHFFFAOYSA-N 0 0 307.297 2.183 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCOC)Cc1ccccc1 ZINC000425564039 405303567 /nfs/dbraw/zinc/30/35/67/405303567.db2.gz AEZJANZGGQENAR-IRXDYDNUSA-N 0 0 318.417 2.436 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCOc1ccc(F)c(Cl)c1 ZINC000455213973 405387595 /nfs/dbraw/zinc/38/75/95/405387595.db2.gz LVSURRSUNUEBAL-SNVBAGLBSA-N 0 0 316.760 2.094 10 30 DEEERN C=CC(C)(C)CNC(=O)N1CCN(c2cnccc2C)CC1 ZINC000455384938 405403579 /nfs/dbraw/zinc/40/35/79/405403579.db2.gz MTDZYOMKVVGGPL-UHFFFAOYSA-N 0 0 302.422 2.434 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N1CCc2cc(F)c(F)cc21 ZINC000445919262 405362546 /nfs/dbraw/zinc/36/25/46/405362546.db2.gz IXYLIGXNKXHIEI-UHFFFAOYSA-N 0 0 308.328 2.279 10 30 DEEERN C=CCOc1cccc(NC(=O)NCC[C@@](C)(O)COC)c1 ZINC000454573288 405366247 /nfs/dbraw/zinc/36/62/47/405366247.db2.gz HEPUJWKGXSOHCW-MRXNPFEDSA-N 0 0 308.378 2.160 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@H](C(=O)NC)C1 ZINC000421316836 405462757 /nfs/dbraw/zinc/46/27/57/405462757.db2.gz ZUJZPUAYPWKBOC-AWEZNQCLSA-N 0 0 319.453 2.015 10 30 DEEERN C=CCC[C@H](CO)NC(=O)[C@@H](C)Cn1ncc2ccccc21 ZINC000456759004 405553496 /nfs/dbraw/zinc/55/34/96/405553496.db2.gz DMKZCIDLCBVYSK-DZGCQCFKSA-N 0 0 301.390 2.116 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N(C)C[C@H]1CCN(C(C)=O)C1 ZINC000633411861 405629816 /nfs/dbraw/zinc/62/98/16/405629816.db2.gz ZLCAZINOEOZDOD-OAHLLOKOSA-N 0 0 309.454 2.489 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C ZINC000633411842 405630070 /nfs/dbraw/zinc/63/00/70/405630070.db2.gz YUKGRIOVIKKKQP-UONOGXRCSA-N 0 0 314.470 2.436 10 30 DEEERN C=CCn1cc(CNC(=O)N2CC(C)(C)[C@H]2c2ccco2)nn1 ZINC000633318012 405570119 /nfs/dbraw/zinc/57/01/19/405570119.db2.gz KRZGWNPKKRJMKR-CQSZACIVSA-N 0 0 315.377 2.350 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](COC)CC1 ZINC000458746981 405570309 /nfs/dbraw/zinc/57/03/09/405570309.db2.gz YOXZFVSQIBCICI-PMPSAXMXSA-N 0 0 310.438 2.426 10 30 DEEERN C=C(CC)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000456815253 405578558 /nfs/dbraw/zinc/57/85/58/405578558.db2.gz XHQFGCKMZPFHDR-DOTOQJQBSA-N 0 0 316.401 2.297 10 30 DEEERN C=C(CC)CNC(=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000456830162 405583244 /nfs/dbraw/zinc/58/32/44/405583244.db2.gz QBHMNXKOQQPLBL-CQSZACIVSA-N 0 0 304.415 2.284 10 30 DEEERN COC(=O)C(C)(C)N1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000494421334 405694986 /nfs/dbraw/zinc/69/49/86/405694986.db2.gz YJJZZKJHMZNDOD-AWEZNQCLSA-N 0 0 315.417 2.188 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCC[C@@H](n2ccnn2)CC1)OCC ZINC000636191201 405803020 /nfs/dbraw/zinc/80/30/20/405803020.db2.gz YCPIRCFYDSTMOB-CABCVRRESA-N 0 0 306.410 2.203 10 30 DEEERN C=CCOCCCNC(=O)C[C@@H](n1ccnc1)C(F)(F)F ZINC000636200625 405809622 /nfs/dbraw/zinc/80/96/22/405809622.db2.gz QKRCBBUVLKPONG-LLVKDONJSA-N 0 0 305.300 2.086 10 30 DEEERN C=C[C@](C)(O)CC(=O)N[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000633750288 405820635 /nfs/dbraw/zinc/82/06/35/405820635.db2.gz OXHLXRORWQSJFL-ZFWWWQNUSA-N 0 0 315.772 2.346 10 30 DEEERN C=C(CNC(=O)C1(C)CC(=C)C1)CNC(=O)C1(C)CC(=C)C1 ZINC000633653578 405769559 /nfs/dbraw/zinc/76/95/59/405769559.db2.gz CVPWIXLRAHHZIP-UHFFFAOYSA-N 0 0 302.418 2.488 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000457542308 405890429 /nfs/dbraw/zinc/89/04/29/405890429.db2.gz UVDWFXWSNDYBCB-OLZOCXBDSA-N 0 0 322.405 2.391 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H]2CCOC3(CCSCC3)C2)C1=O ZINC000630979088 405950330 /nfs/dbraw/zinc/95/03/30/405950330.db2.gz PGLMZPXGKMZSOW-QWHCGFSZSA-N 0 0 324.446 2.318 10 30 DEEERN COc1ccc(CNC(=O)Cc2cccc(C#N)c2)c(OC)c1 ZINC000531386636 405953027 /nfs/dbraw/zinc/95/30/27/405953027.db2.gz WRWVHOJONJHVES-UHFFFAOYSA-N 0 0 310.353 2.434 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCCc1ccccc1 ZINC000636442656 405960979 /nfs/dbraw/zinc/96/09/79/405960979.db2.gz QJBJAFZEGVEPND-UHFFFAOYSA-N 0 0 302.418 2.454 10 30 DEEERN Cc1cc(NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc(C#N)n1 ZINC000561351359 405921702 /nfs/dbraw/zinc/92/17/02/405921702.db2.gz KRIMJVOMVPRRSA-BBRMVZONSA-N 0 0 301.390 2.241 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1ccc(O)cc1 ZINC000636501469 405990870 /nfs/dbraw/zinc/99/08/70/405990870.db2.gz GWZBRPZEBOIPSH-UHFFFAOYSA-N 0 0 304.390 2.117 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000566442249 406088624 /nfs/dbraw/zinc/08/86/24/406088624.db2.gz DCIKQISWXDWGJC-UHFFFAOYSA-N 0 0 315.417 2.433 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000566479084 406088898 /nfs/dbraw/zinc/08/88/98/406088898.db2.gz XECHHPFIKUCLPG-GOSISDBHSA-N 0 0 322.449 2.268 10 30 DEEERN C=CCCCS(=O)(=O)NC[C@H]1CSc2ccccc2O1 ZINC000566971827 406093141 /nfs/dbraw/zinc/09/31/41/406093141.db2.gz QCJFCFNJVQWKAO-LBPRGKRZSA-N 0 0 313.444 2.425 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCc1csc(CC)n1 ZINC000636647569 406041596 /nfs/dbraw/zinc/04/15/96/406041596.db2.gz MTDQAUQTZHCZJK-UHFFFAOYSA-N 0 0 323.462 2.083 10 30 DEEERN COC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(C#N)n1C ZINC000451113155 406054436 /nfs/dbraw/zinc/05/44/36/406054436.db2.gz BGOQZFKEOVAPNJ-MRXNPFEDSA-N 0 0 311.385 2.226 10 30 DEEERN C=CCSCCNS(=O)(=O)CC1Cc2ccccc2C1 ZINC000515094502 406056352 /nfs/dbraw/zinc/05/63/52/406056352.db2.gz PIDYQYZSPSFHHF-UHFFFAOYSA-N 0 0 311.472 2.240 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC000514995246 406056384 /nfs/dbraw/zinc/05/63/84/406056384.db2.gz AVCHSDDMKFNDCB-NWDGAFQWSA-N 0 0 315.425 2.050 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)C1(CC(=O)OC(C)(C)C)CCC1 ZINC000563189196 406058270 /nfs/dbraw/zinc/05/82/70/406058270.db2.gz TZIXWKCCTKJLEX-CYBMUJFWSA-N 0 0 311.422 2.189 10 30 DEEERN C=CCCCCCNC(=O)N1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000563373057 406059827 /nfs/dbraw/zinc/05/98/27/406059827.db2.gz HITFZJYYIJZXPQ-XHSDSOJGSA-N 0 0 310.438 2.304 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CO)[C@@H]1C ZINC000563371430 406060271 /nfs/dbraw/zinc/06/02/71/406060271.db2.gz GZEZSTVNLAVKQW-RRFJBIMHSA-N 0 0 320.437 2.303 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C ZINC000564858358 406066399 /nfs/dbraw/zinc/06/63/99/406066399.db2.gz FWFKKOUAGKCWLU-KKUMJFAQSA-N 0 0 322.449 2.121 10 30 DEEERN C=CCN(Cc1ccccc1)S(=O)(=O)C[C@H](OC)C1CC1 ZINC000564903945 406068479 /nfs/dbraw/zinc/06/84/79/406068479.db2.gz FIRPILPLVGRUPT-INIZCTEOSA-N 0 0 309.431 2.429 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1n1cccn1 ZINC000565643304 406076463 /nfs/dbraw/zinc/07/64/63/406076463.db2.gz MPIDMEBTUGMPNQ-KLHDSHLOSA-N 0 0 318.421 2.352 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2ccc3c(c2)C(=O)NCC3)C1 ZINC000637042308 406159829 /nfs/dbraw/zinc/15/98/29/406159829.db2.gz LUJMZCFOWOQHQQ-ZDUSSCGKSA-N 0 0 313.401 2.080 10 30 DEEERN C=CCOCCNC(=O)C(C)(C)n1cc(C)c(C(F)(F)F)n1 ZINC000632358894 406105625 /nfs/dbraw/zinc/10/56/25/406105625.db2.gz AKTWYPZJYHZGIW-UHFFFAOYSA-N 0 0 319.327 2.264 10 30 DEEERN C=CCn1c(COCCOC)nnc1N1CC[C@@H](C(C)C)C1 ZINC000634339464 406105778 /nfs/dbraw/zinc/10/57/78/406105778.db2.gz HKZYVBGDOKQAIA-CQSZACIVSA-N 0 0 308.426 2.109 10 30 DEEERN C=CCCCCNC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000471705427 406110761 /nfs/dbraw/zinc/11/07/61/406110761.db2.gz JQSZBRJRUVOBHK-UHFFFAOYSA-N 0 0 305.769 2.402 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000632390510 406117110 /nfs/dbraw/zinc/11/71/10/406117110.db2.gz CHKZNQOBDZOHGH-CQSZACIVSA-N 0 0 322.449 2.123 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000636946424 406130283 /nfs/dbraw/zinc/13/02/83/406130283.db2.gz NONKGEZXXMTWFJ-LSDHHAIUSA-N 0 0 308.422 2.322 10 30 DEEERN C=CCN(Cc1cccs1)S(=O)(=O)C[C@@H](OC)C1CC1 ZINC000567769780 406137526 /nfs/dbraw/zinc/13/75/26/406137526.db2.gz NWZQBCAXVZQCQN-CQSZACIVSA-N 0 0 315.460 2.491 10 30 DEEERN C=CC[C@H](CO)NC(=O)C(C)(C)c1cccc(C(F)(F)F)n1 ZINC000632447433 406141975 /nfs/dbraw/zinc/14/19/75/406141975.db2.gz MNOUVIPSVRLEFZ-SNVBAGLBSA-N 0 0 316.323 2.431 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)Cc1cscn1 ZINC000632459857 406148360 /nfs/dbraw/zinc/14/83/60/406148360.db2.gz NEZDVLLDHIJPBG-UHFFFAOYSA-N 0 0 309.435 2.210 10 30 DEEERN C=CCOc1cccc(NC(=O)N2C[C@H](OC)C[C@@]2(C)CO)c1 ZINC000639586587 406157868 /nfs/dbraw/zinc/15/78/68/406157868.db2.gz IHLWHMXYOOOBIQ-WBVHZDCISA-N 0 0 320.389 2.255 10 30 DEEERN C=CCOc1cccc(NC(=O)N2C[C@H](OC)C[C@]2(C)CO)c1 ZINC000639586585 406158081 /nfs/dbraw/zinc/15/80/81/406158081.db2.gz IHLWHMXYOOOBIQ-NVXWUHKLSA-N 0 0 320.389 2.255 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1COc2cccc(C)c2C1 ZINC000637194474 406207589 /nfs/dbraw/zinc/20/75/89/406207589.db2.gz JDQDUTRZQDIENU-BMFZPTHFSA-N 0 0 316.401 2.331 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1 ZINC000637263109 406233508 /nfs/dbraw/zinc/23/35/08/406233508.db2.gz DWJZXMOJZNCWIP-ZFWWWQNUSA-N 0 0 313.401 2.182 10 30 DEEERN C=CCCS(=O)(=O)N1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000632729833 406242151 /nfs/dbraw/zinc/24/21/51/406242151.db2.gz UQUNIHXWJUYSLW-AWEZNQCLSA-N 0 0 317.414 2.325 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](O)[C@@H](C)c1ccc(C)cc1 ZINC000519825464 406259142 /nfs/dbraw/zinc/25/91/42/406259142.db2.gz YQAFOWDOXCOGRM-HJWJTTGWSA-N 0 0 303.402 2.167 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000637325090 406259982 /nfs/dbraw/zinc/25/99/82/406259982.db2.gz OSHKCTORSFDZNQ-AWEZNQCLSA-N 0 0 307.438 2.243 10 30 DEEERN C=C1CC(C)(C(=O)N2CCC(O)(Cc3ccncc3)CC2)C1 ZINC000632806218 406270255 /nfs/dbraw/zinc/27/02/55/406270255.db2.gz DVVNUWZNARMXHW-UHFFFAOYSA-N 0 0 300.402 2.334 10 30 DEEERN C=CCCCCCNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000570105348 406347918 /nfs/dbraw/zinc/34/79/18/406347918.db2.gz YYYZFNWZAHKKJP-OKILXGFUSA-N 0 0 306.406 2.024 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H](CO)c2nc(-c3ccccc3)no2)C1 ZINC000632994935 406348452 /nfs/dbraw/zinc/34/84/52/406348452.db2.gz JKSTTWCOWHYCQJ-ZDUSSCGKSA-N 0 0 313.357 2.243 10 30 DEEERN C=CCOc1ccc(CNC(=O)C2CCN(OC)CC2)cc1 ZINC000633006145 406351914 /nfs/dbraw/zinc/35/19/14/406351914.db2.gz OWDIYQVJXYOMEZ-UHFFFAOYSA-N 0 0 304.390 2.141 10 30 DEEERN C=CCCCS(=O)(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000489675370 406425241 /nfs/dbraw/zinc/42/52/41/406425241.db2.gz FCHKEUSGXSBMAT-ZDUSSCGKSA-N 0 0 320.418 2.214 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000637620655 406368318 /nfs/dbraw/zinc/36/83/18/406368318.db2.gz GCUCYPFQMQVTAX-INIZCTEOSA-N 0 0 323.481 2.485 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000633064781 406369757 /nfs/dbraw/zinc/36/97/57/406369757.db2.gz OUDKIMRGDOWABJ-UHFFFAOYSA-N 0 0 316.467 2.103 10 30 DEEERN CCc1nc(CN2CCN(c3ccncc3C#N)CC2)cs1 ZINC000546654096 406370389 /nfs/dbraw/zinc/37/03/89/406370389.db2.gz WKDPDQWLZSLDJS-UHFFFAOYSA-N 0 0 313.430 2.294 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccnn1CC1CCC1 ZINC000635145448 406439600 /nfs/dbraw/zinc/43/96/00/406439600.db2.gz HUPULAFPVSFERC-AWEZNQCLSA-N 0 0 316.405 2.189 10 30 DEEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccnn1CC1CCC1 ZINC000635150865 406441582 /nfs/dbraw/zinc/44/15/82/406441582.db2.gz RSBRCVKXASNUAY-CYBMUJFWSA-N 0 0 304.394 2.093 10 30 DEEERN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC000571770696 406564044 /nfs/dbraw/zinc/56/40/44/406564044.db2.gz RETFODDLAMOUGU-UONOGXRCSA-N 0 0 315.421 2.079 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)[C@@H](O)C(C)(C)CC)cc1 ZINC000635392652 406516514 /nfs/dbraw/zinc/51/65/14/406516514.db2.gz ODNDSKYQNJSMDM-CQSZACIVSA-N 0 0 304.390 2.338 10 30 DEEERN N#Cc1ccsc1C(=O)Nc1cc([C@@H]2CCCOC2)[nH]n1 ZINC000527475743 406639827 /nfs/dbraw/zinc/63/98/27/406639827.db2.gz OWUJTQTYVUHAOL-SNVBAGLBSA-N 0 0 302.359 2.489 10 30 DEEERN C=CCn1c(-c2scnc2C)nnc1N(C)[C@H]1CCOC1 ZINC000574518670 406784137 /nfs/dbraw/zinc/78/41/37/406784137.db2.gz QFVXVGHHIOCECP-NSHDSACASA-N 0 0 305.407 2.121 10 30 DEEERN Cn1cc(OCC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000573743451 406776583 /nfs/dbraw/zinc/77/65/83/406776583.db2.gz OJEHVYZQCYWAMG-SJORKVTESA-N 0 0 324.384 2.097 10 30 DEEERN CCOC(=O)Cc1c(Br)ccc(C#N)c1[N+](=O)[O-] ZINC000575383600 406807944 /nfs/dbraw/zinc/80/79/44/406807944.db2.gz SJHAXYFYROAONL-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN CCOC(=O)Cc1cc(OC(F)F)cc(C#N)c1[N+](=O)[O-] ZINC000575388186 406808716 /nfs/dbraw/zinc/80/87/16/406808716.db2.gz NPQJPQOTCWRAOX-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN COC(=O)Cc1cc(C#N)c([N+](=O)[O-])c(OC(F)(F)F)c1 ZINC000575395461 406808847 /nfs/dbraw/zinc/80/88/47/406808847.db2.gz DCVLSZGHYSTWPG-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN COC(=O)Cc1cc(C#N)c([N+](=O)[O-])cc1OC(F)(F)F ZINC000575395729 406808860 /nfs/dbraw/zinc/80/88/60/406808860.db2.gz NNOQMAOBXXLRBC-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN COC(=O)Cc1c(C#N)c(OC(F)(F)F)ccc1[N+](=O)[O-] ZINC000575395968 406809859 /nfs/dbraw/zinc/80/98/59/406809859.db2.gz YTIKIDIJKSAQFZ-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN COC(=O)Cc1c(C#N)cc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575395962 406810065 /nfs/dbraw/zinc/81/00/65/406810065.db2.gz YKZBFGCASFBOHY-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000575882533 406827212 /nfs/dbraw/zinc/82/72/12/406827212.db2.gz SETFQIAFAITDRT-LVQVYYBASA-N 0 0 310.438 2.470 10 30 DEEERN Cc1cccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1Cl ZINC000372204254 292416775 /nfs/dbraw/zinc/41/67/75/292416775.db2.gz MQMHSYHYBOKHGV-ZDUSSCGKSA-N 0 0 303.793 2.461 10 30 DEEERN COC(=O)[C@H](C)N(C(=O)Cc1cccc(C#N)c1)C1CCC1 ZINC000570497874 292486580 /nfs/dbraw/zinc/48/65/80/292486580.db2.gz RNEJNBVRECSXLM-LBPRGKRZSA-N 0 0 300.358 2.043 10 30 DEEERN Cc1cc(C)c(C)c(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c1C ZINC000128991650 196009397 /nfs/dbraw/zinc/00/93/97/196009397.db2.gz XCZXYLXNFQUZEV-MRXNPFEDSA-N 0 0 322.430 2.223 10 30 DEEERN CN(C(=O)c1nc(NN)ccc1Cl)c1ccccc1C#N ZINC000129052191 196015382 /nfs/dbraw/zinc/01/53/82/196015382.db2.gz VVKNXNDWQGXDOQ-UHFFFAOYSA-N 0 0 301.737 2.169 10 30 DEEERN C#CC[C@H](C)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000129191872 196027717 /nfs/dbraw/zinc/02/77/17/196027717.db2.gz QXTSYGQGGOFMMR-ZETCQYMHSA-N 0 0 307.202 2.266 10 30 DEEERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C#N)cc1C ZINC000129446464 196049404 /nfs/dbraw/zinc/04/94/04/196049404.db2.gz MOQXAEOXEINCKH-AWEZNQCLSA-N 0 0 309.373 2.286 10 30 DEEERN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccccc1 ZINC000130899398 196120645 /nfs/dbraw/zinc/12/06/45/196120645.db2.gz WROQRGHIFHDDCO-ZDUSSCGKSA-N 0 0 322.372 2.091 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000130970508 196128122 /nfs/dbraw/zinc/12/81/22/196128122.db2.gz WPRUWCDRHKZSFY-UHFFFAOYSA-N 0 0 324.384 2.320 10 30 DEEERN C=CCNC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000132057359 196223473 /nfs/dbraw/zinc/22/34/73/196223473.db2.gz VIUKLPBDUASJBA-OCCSQVGLSA-N 0 0 307.781 2.097 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc2ccccn2n1 ZINC000132915692 196295971 /nfs/dbraw/zinc/29/59/71/196295971.db2.gz XQRJGHPYMDBGPI-NSHDSACASA-N 0 0 307.313 2.007 10 30 DEEERN C#CC[C@@H](CC)NC(=O)c1sc2nnc(C)c(C)c2c1N ZINC000133251688 196325627 /nfs/dbraw/zinc/32/56/27/196325627.db2.gz BRCPPAYGFRQQBG-SNVBAGLBSA-N 0 0 302.403 2.422 10 30 DEEERN C#CC[C@H](CC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000133896156 196344366 /nfs/dbraw/zinc/34/43/66/196344366.db2.gz LRZKTPNTSRWOTO-VIFPVBQESA-N 0 0 316.766 2.328 10 30 DEEERN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000135084454 196443289 /nfs/dbraw/zinc/44/32/89/196443289.db2.gz SQVYNNMONOBJJH-DYVFJYSZSA-N 0 0 317.437 2.206 10 30 DEEERN Cc1c(C#CCCO)cccc1C(=O)N[C@@H]1CCCSC1 ZINC000136574169 196542385 /nfs/dbraw/zinc/54/23/85/196542385.db2.gz YUEONCFNJFWQSJ-OAHLLOKOSA-N 0 0 303.427 2.354 10 30 DEEERN N#CCCCCS(=O)(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171966164 224754935 /nfs/dbraw/zinc/75/49/35/224754935.db2.gz LXNMFELLTYVNQJ-UHFFFAOYSA-N 0 0 321.446 2.360 10 30 DEEERN N#Cc1ccc(C2(C(=O)Nc3ccc(CC(N)=O)cc3)CC2)cc1 ZINC000187904350 225002979 /nfs/dbraw/zinc/00/29/79/225002979.db2.gz OMTMJEHIJHDIBT-UHFFFAOYSA-N 0 0 319.364 2.256 10 30 DEEERN N#CCSCC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189836544 225065222 /nfs/dbraw/zinc/06/52/22/225065222.db2.gz YUSCUEWITHJJSB-UHFFFAOYSA-N 0 0 302.399 2.338 10 30 DEEERN C[C@]12CC3CC(C(=O)N4CC(O)(CC#N)C4)(C1)C[C@@](C)(C3)C2 ZINC000189845169 225066793 /nfs/dbraw/zinc/06/67/93/225066793.db2.gz ZXDYFSKINKLXKQ-JOHJCKIYSA-N 0 0 302.418 2.470 10 30 DEEERN Cc1nn(C)c(C)c1CN1CCN(CC#Cc2ccccc2)CC1 ZINC000192004523 225122482 /nfs/dbraw/zinc/12/24/82/225122482.db2.gz LCEFAODYBNMBPR-UHFFFAOYSA-N 0 0 322.456 2.206 10 30 DEEERN CCOc1ccnc(N2CCN(CC#Cc3ccccc3)CC2)n1 ZINC000192006190 225122748 /nfs/dbraw/zinc/12/27/48/225122748.db2.gz LQBUBGVULBCQKM-UHFFFAOYSA-N 0 0 322.412 2.049 10 30 DEEERN CO[C@H](C)CCC(=O)N1CC[C@@H](n2ccc(NC(C)=O)n2)C1 ZINC000328612742 225773906 /nfs/dbraw/zinc/77/39/06/225773906.db2.gz PQBAAGONFWHJCP-DGCLKSJQSA-N 0 0 308.382 2.080 10 30 DEEERN O=C(NCc1nc2c(s1)CCCC2)c1cnc2n[nH]nc2c1 ZINC000329668412 225914494 /nfs/dbraw/zinc/91/44/94/225914494.db2.gz LVTGALXBYVHBGK-UHFFFAOYSA-N 0 0 314.374 2.193 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](C2CC2)C1 ZINC000329411621 225877437 /nfs/dbraw/zinc/87/74/37/225877437.db2.gz CCFVVGJACHENCK-OFQRWUPVSA-N 0 0 318.421 2.144 10 30 DEEERN O=C(C[C@@H]1CCCCNC1=O)NCCc1nnc2n1CCCC2 ZINC000329490278 225885770 /nfs/dbraw/zinc/88/57/70/225885770.db2.gz HTUQBIIUESGFCO-LBPRGKRZSA-N 0 0 319.409 2.260 10 30 DEEERN C[C@H]1OCC[C@H]1NC(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000330204151 225979598 /nfs/dbraw/zinc/97/95/98/225979598.db2.gz BJARNCXTQVJTCD-KGYLQXTDSA-N 0 0 320.393 2.218 10 30 DEEERN Cc1ncc2n1CC[C@H](C(=O)N[C@@]1(C#N)CCC[C@H](C)C1)C2 ZINC000332962544 226100218 /nfs/dbraw/zinc/10/02/18/226100218.db2.gz HJFGOFUTOWLGFW-JDFRZJQESA-N 0 0 300.406 2.343 10 30 DEEERN CCn1cc([C@@H]2OCCC[C@H]2C(=O)N[C@@H]2CCC[C@H]2C#N)cn1 ZINC000334114032 226115097 /nfs/dbraw/zinc/11/50/97/226115097.db2.gz FMVWDUYHCGPXJW-XZDPQHSOSA-N 0 0 316.405 2.179 10 30 DEEERN N#C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]2)CCN1C1CC1 ZINC000370968559 227060163 /nfs/dbraw/zinc/06/01/63/227060163.db2.gz MIYUGDABVJHDMR-INIZCTEOSA-N 0 0 320.396 2.494 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cccc(-n3cccc3)c2)CCN1C1CC1 ZINC000370974237 227061259 /nfs/dbraw/zinc/06/12/59/227061259.db2.gz SKCWRRDYEAPUHR-GOSISDBHSA-N 0 0 320.396 2.290 10 30 DEEERN C=C(C)Cn1c(-c2cccn2C)nnc1N1CCOC[C@H]1C ZINC000290973255 222040253 /nfs/dbraw/zinc/04/02/53/222040253.db2.gz IUXKDFUWCVSTAH-CYBMUJFWSA-N 0 0 301.394 2.085 10 30 DEEERN Cc1ccc(F)c(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 ZINC000377672943 227195059 /nfs/dbraw/zinc/19/50/59/227195059.db2.gz MWOPRXXGAIHLDG-CYBMUJFWSA-N 0 0 302.353 2.338 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000408017258 227226387 /nfs/dbraw/zinc/22/63/87/227226387.db2.gz LUFBLOWMKCBBIK-KCJUWKMLSA-N 0 0 302.758 2.450 10 30 DEEERN C[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC[S@@]1=O ZINC000407956856 287602955 /nfs/dbraw/zinc/60/29/55/287602955.db2.gz XFQCHEALEOEXJS-AOUSDQRYSA-N 0 0 317.336 2.319 10 30 DEEERN Cc1ccc(N(C)[C@H]2CCCN(c3cccnn3)C2)nc1C#N ZINC000302675856 230344781 /nfs/dbraw/zinc/34/47/81/230344781.db2.gz UJNBTECPVDKHIL-AWEZNQCLSA-N 0 0 308.389 2.157 10 30 DEEERN N#Cc1ccccc1OCC(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000526960302 421341345 /nfs/dbraw/zinc/34/13/45/421341345.db2.gz VPROEXHGSAOKLE-AWEZNQCLSA-N 0 0 312.329 2.150 10 30 DEEERN Cn1cc(C#N)c(NC(=O)NC2CCN(c3ccccc3)CC2)n1 ZINC000610564458 422469578 /nfs/dbraw/zinc/46/95/78/422469578.db2.gz QTRITSTXLXFPAX-UHFFFAOYSA-N 0 0 324.388 2.082 10 30 DEEERN Cn1cc(C#N)c(NC(=O)N2Cc3ccccc3C(F)(F)C2)n1 ZINC000610923029 422473179 /nfs/dbraw/zinc/47/31/79/422473179.db2.gz JTVOATKUCXKQLF-UHFFFAOYSA-N 0 0 317.299 2.431 10 30 DEEERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1nn(C)cc1C#N ZINC000619320084 422529429 /nfs/dbraw/zinc/52/94/29/422529429.db2.gz HLWHOGJAAJFTGT-IONNQARKSA-N 0 0 301.272 2.096 10 30 DEEERN CC(=O)N1CCC(Nc2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000619694185 422531137 /nfs/dbraw/zinc/53/11/37/422531137.db2.gz QLAYFMSNPVFWDW-UHFFFAOYSA-N 0 0 312.295 2.395 10 30 DEEERN N#Cc1cccc(CC(=O)NCCc2c[nH]c3ncccc23)c1 ZINC000533100553 269996947 /nfs/dbraw/zinc/99/69/47/269996947.db2.gz UGYZFVCJHOWVCX-UHFFFAOYSA-N 0 0 304.353 2.336 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCCC[C@@H](CCOC)C2)s1 ZINC000372201576 424883237 /nfs/dbraw/zinc/88/32/37/424883237.db2.gz PFDJOEPDMXPKIZ-ZDUSSCGKSA-N 0 0 323.462 3.020 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCCC[C@H]2C(F)F)s1 ZINC000337683347 424931590 /nfs/dbraw/zinc/93/15/90/424931590.db2.gz IYVNTMYPCBBHOC-VIFPVBQESA-N 0 0 301.362 3.001 10 30 DEEERN Cc1nc2c(s1)CCC[C@H]2CNC([O-])=[NH+]c1ccn(C)n1 ZINC000328628390 424901826 /nfs/dbraw/zinc/90/18/26/424901826.db2.gz NSPGNIDTHKXYSX-JTQLQIEISA-N 0 0 305.407 2.631 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](OCCC(C)C)C1 ZINC000425561263 424997941 /nfs/dbraw/zinc/99/79/41/424997941.db2.gz ABWGHZWOJNVYNW-XHSDSOJGSA-N 0 0 310.438 2.424 10 30 DEEERN C=CCOc1ccc(CNc2nncn2-c2cccnc2)cc1 ZINC000352540714 425046833 /nfs/dbraw/zinc/04/68/33/425046833.db2.gz OLYLBCRQCHJZLB-UHFFFAOYSA-N 0 0 307.357 2.839 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccc(-n3cncn3)c(F)c2)c1 ZINC000531385051 268277602 /nfs/dbraw/zinc/27/76/02/268277602.db2.gz DAZRGUYULSVUSO-UHFFFAOYSA-N 0 0 321.315 2.459 10 30 DEEERN C[C@@H]1CCN(c2cc3ccccc3nc2C#N)CCS1(=O)=O ZINC000334054766 269012329 /nfs/dbraw/zinc/01/23/29/269012329.db2.gz UGDAGCRXHQFIQF-GFCCVEGCSA-N 0 0 315.398 2.120 10 30 DEEERN CC(=O)N1CC[C@H](NC(=O)c2cc(C#N)ccn2)c2ccccc21 ZINC000355249135 275467910 /nfs/dbraw/zinc/46/79/10/275467910.db2.gz KFZIHZYACGNXQC-HNNXBMFYSA-N 0 0 320.352 2.181 10 30 DEEERN C=CCC(F)(F)C(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000293508020 276882195 /nfs/dbraw/zinc/88/21/95/276882195.db2.gz XSSVOHUKSIBIMX-RYUDHWBXSA-N 0 0 315.316 2.142 10 30 DEEERN CC(C)(C)[C@@H]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C[C@@H]1O ZINC000273180150 277238302 /nfs/dbraw/zinc/23/83/02/277238302.db2.gz AXQYYVNBMBCXLI-NEPJUHHUSA-N 0 0 304.350 2.095 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)CNS(=O)(=O)CC ZINC000188068918 277892127 /nfs/dbraw/zinc/89/21/27/277892127.db2.gz GTDRGMAIILJQPG-UHFFFAOYSA-N 0 0 324.446 2.416 10 30 DEEERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)C1(C#N)CCCCC1)CC2 ZINC000134082094 278077264 /nfs/dbraw/zinc/07/72/64/278077264.db2.gz YPNRNUIQHBFILH-ZDUSSCGKSA-N 0 0 315.421 2.307 10 30 DEEERN C[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)CC(C)(C)O1 ZINC000246573403 278797228 /nfs/dbraw/zinc/79/72/28/278797228.db2.gz VONJLYDBRUNHDV-YPMHNXCESA-N 0 0 319.430 2.224 10 30 DEEERN CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CCC(C)(C#N)CC1 ZINC000356985166 280301632 /nfs/dbraw/zinc/30/16/32/280301632.db2.gz YDEXIMPEHQGBCE-ZDUSSCGKSA-N 0 0 322.453 2.261 10 30 DEEERN CC(C)[C@H]1CCO[C@H]1C(=O)NCC1(S(C)(=O)=O)CCCC1 ZINC000329314623 280390155 /nfs/dbraw/zinc/39/01/55/280390155.db2.gz RUPNQKJCGPULLY-CHWSQXEVSA-N 0 0 317.451 2.361 10 30 DEEERN CC(C)[C@H]1CCO[C@H]1C(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000329238461 280390252 /nfs/dbraw/zinc/39/02/52/280390252.db2.gz LEBCBZHAOQZQNK-HUUCEWRRSA-N 0 0 308.422 2.405 10 30 DEEERN COC(=O)CCCCCNC(=O)N(C)Cc1cccc(C#N)c1 ZINC000047012085 281452751 /nfs/dbraw/zinc/45/27/51/281452751.db2.gz HSOCGDQNWPAQTO-UHFFFAOYSA-N 0 0 317.389 2.433 10 30 DEEERN C[C@@H](COc1ccc(F)cc1F)NC(=O)c1cc(C#N)cn1C ZINC000081051036 281602745 /nfs/dbraw/zinc/60/27/45/281602745.db2.gz WNUOCSSGUNBXRS-JTQLQIEISA-N 0 0 319.311 2.372 10 30 DEEERN N#Cc1ccc(OCCNC(=O)NC[C@@H]2CCCS2)cc1 ZINC000121862823 281763748 /nfs/dbraw/zinc/76/37/48/281763748.db2.gz ZBGCLCOIBSEQOX-AWEZNQCLSA-N 0 0 305.403 2.132 10 30 DEEERN C[C@H](C(=O)NC1CC1)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000328676126 289231863 /nfs/dbraw/zinc/23/18/63/289231863.db2.gz LFDUEBXJBUOWRJ-SOZUMNATSA-N 0 0 324.384 2.489 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC000448635011 294145980 /nfs/dbraw/zinc/14/59/80/294145980.db2.gz OFCXRRLDBZVHSG-KRWDZBQOSA-N 0 0 308.385 2.026 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000080944316 294201801 /nfs/dbraw/zinc/20/18/01/294201801.db2.gz RCQSADSEFGUDJK-QGZVFWFLSA-N 0 0 308.385 2.026 10 30 DEEERN N#Cc1cnc(NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)cn1 ZINC000302568489 294991492 /nfs/dbraw/zinc/99/14/92/294991492.db2.gz XTAILICRLIDSLX-CABZTGNLSA-N 0 0 300.284 2.244 10 30 DEEERN O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)[C@@H]1CCc2n[nH]nc2C1 ZINC000329024426 295382333 /nfs/dbraw/zinc/38/23/33/295382333.db2.gz NGJRAGBONIFLMW-XNRPHZJLSA-N 0 0 312.373 2.396 10 30 DEEERN C[C@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)N1CCCCC1=O ZINC000328750657 298245573 /nfs/dbraw/zinc/24/55/73/298245573.db2.gz MUTDFBQHGRGCIM-NEPJUHHUSA-N 0 0 321.377 2.232 10 30 DEEERN CC(C)(C#N)NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000570636871 332788549 /nfs/dbraw/zinc/78/85/49/332788549.db2.gz ZAVRUCCZFKJNLY-UHFFFAOYSA-N 0 0 317.208 2.171 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC000556444672 331704989 /nfs/dbraw/zinc/70/49/89/331704989.db2.gz RWKLKMSBBUIKRM-TXEJJXNPSA-N 0 0 315.425 2.050 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC2(CCOCC2)[C@H]1C ZINC000556641225 331722223 /nfs/dbraw/zinc/72/22/23/331722223.db2.gz CCWGTZODMYYGEB-KFWWJZLASA-N 0 0 308.422 2.321 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1C[C@@H](C)C[C@H]1CC ZINC000584154918 331845746 /nfs/dbraw/zinc/84/57/46/331845746.db2.gz UKLINGOTAGENSN-WCQYABFASA-N 0 0 315.425 2.193 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccc2c(c1)CCO2 ZINC000569501746 332108900 /nfs/dbraw/zinc/10/89/00/332108900.db2.gz ITADPFABZJYUDZ-UHFFFAOYSA-N 0 0 302.374 2.423 10 30 DEEERN C=CCCCCCNC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000566420788 332399171 /nfs/dbraw/zinc/39/91/71/332399171.db2.gz RBBKDJGFKBMYRY-UHFFFAOYSA-N 0 0 321.421 2.104 10 30 DEEERN CCn1cc(CC(=O)Nc2nc3c(cc2C#N)CCCC3)cn1 ZINC000583431546 332404224 /nfs/dbraw/zinc/40/42/24/332404224.db2.gz JOCRZQCRMMRZKR-UHFFFAOYSA-N 0 0 309.373 2.230 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)C1(O)CCCC1 ZINC000563032742 333093714 /nfs/dbraw/zinc/09/37/14/333093714.db2.gz UUDOGUOOHSLGJK-KBPBESRZSA-N 0 0 310.438 2.208 10 30 DEEERN COCCc1ccc(OCCCC(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000108827223 333210242 /nfs/dbraw/zinc/21/02/42/333210242.db2.gz XZJRSXNBDAQJAD-KRWDZBQOSA-N 0 0 316.401 2.453 10 30 DEEERN C=CCOC[C@H]1NC(=O)N(c2cc(CC)ccc2CC)C1=O ZINC000340797932 334386173 /nfs/dbraw/zinc/38/61/73/334386173.db2.gz MYSFWHPEOGYTQO-CQSZACIVSA-N 0 0 302.374 2.439 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C(=O)NC)C(C)C ZINC000416704808 334676334 /nfs/dbraw/zinc/67/63/34/334676334.db2.gz SVXIVBJKGJUJNE-CVEARBPZSA-N 0 0 317.433 2.244 10 30 DEEERN C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000344163617 335226488 /nfs/dbraw/zinc/22/64/88/335226488.db2.gz VZEQFAOGTSUECB-HOTGVXAUSA-N 0 0 323.481 2.075 10 30 DEEERN CC#CCN(C)C(=O)C(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000344168574 335226898 /nfs/dbraw/zinc/22/68/98/335226898.db2.gz BKEYELHNBZCLAQ-UHFFFAOYSA-N 0 0 318.421 2.083 10 30 DEEERN C#CCCCCC(=O)N1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000366907756 335337162 /nfs/dbraw/zinc/33/71/62/335337162.db2.gz BKJYXTPQYMFNDH-HNNXBMFYSA-N 0 0 316.401 2.442 10 30 DEEERN C=CCN(C)C(=O)C(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000526102850 336098965 /nfs/dbraw/zinc/09/89/65/336098965.db2.gz LDQFBDUSJZMWJR-UHFFFAOYSA-N 0 0 314.336 2.060 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)OC)[C@H]1CCC[C@@H](OC)C1 ZINC000514606602 336385979 /nfs/dbraw/zinc/38/59/79/336385979.db2.gz CAFCYZKLGIQOGY-XQLPTFJDSA-N 0 0 311.422 2.452 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000563953401 336388782 /nfs/dbraw/zinc/38/87/82/336388782.db2.gz KEPLTXDLTNOPMI-LXFSFDBISA-N 0 0 308.422 2.080 10 30 DEEERN C=CCOc1ccc(CNC(=O)c2cccc3ncnn32)cc1 ZINC000359118969 336658696 /nfs/dbraw/zinc/65/86/96/336658696.db2.gz VWWILZFWSFGHLY-UHFFFAOYSA-N 0 0 308.341 2.224 10 30 DEEERN C=CCOC[C@H](NC(=O)c1coc2cc(F)ccc12)C(=O)OC ZINC000360746115 336721195 /nfs/dbraw/zinc/72/11/95/336721195.db2.gz OEUWWXLWMOPLOJ-ZDUSSCGKSA-N 0 0 321.304 2.046 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCO[C@@]2(CCSC2)C1 ZINC000582603980 337112474 /nfs/dbraw/zinc/11/24/74/337112474.db2.gz HIHFKSIVGMJEMA-ZBFHGGJFSA-N 0 0 312.479 2.007 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@H](C)[C@@H]1CC ZINC000582767686 337140811 /nfs/dbraw/zinc/14/08/11/337140811.db2.gz YAXRIDDWZOCBKX-AAEUAGOBSA-N 0 0 315.425 2.193 10 30 DEEERN C=CCCOCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000179214669 337168296 /nfs/dbraw/zinc/16/82/96/337168296.db2.gz STFFFQBQUFITHG-SJORKVTESA-N 0 0 317.433 2.324 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cn1 ZINC000582900381 337212859 /nfs/dbraw/zinc/21/28/59/337212859.db2.gz MZUFVHQQVWBCPL-CABZTGNLSA-N 0 0 300.280 2.421 10 30 DEEERN CC(=O)N1CC[C@@H](NC(=O)C(C)(C)C#N)c2ccc(F)cc2C1 ZINC000185513388 337248736 /nfs/dbraw/zinc/24/87/36/337248736.db2.gz CJCSJPSGVNLYTD-OAHLLOKOSA-N 0 0 317.364 2.285 10 30 DEEERN C=CCn1c(-c2scnc2C)nnc1N1CC[C@H](OC)C1 ZINC000584410275 337320958 /nfs/dbraw/zinc/32/09/58/337320958.db2.gz GHTKNMUNQXDFOI-NSHDSACASA-N 0 0 305.407 2.121 10 30 DEEERN COC(=O)CCCN1CC[C@](C#N)(c2ccccc2)CC1=O ZINC000584645683 337380296 /nfs/dbraw/zinc/38/02/96/337380296.db2.gz QMMALYRBNIJCFO-KRWDZBQOSA-N 0 0 300.358 2.024 10 30 DEEERN CNC(=O)Nc1nccc2nc(N3CCC[C@H](C#N)C3)sc21 ZINC000584649867 337380609 /nfs/dbraw/zinc/38/06/09/337380609.db2.gz SFEVJRLHDZPTOZ-SECBINFHSA-N 0 0 316.390 2.183 10 30 DEEERN C=CCOCCCC(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000135388527 337451586 /nfs/dbraw/zinc/45/15/86/337451586.db2.gz ALPMEZSCCLOMHB-INIZCTEOSA-N 0 0 305.374 2.275 10 30 DEEERN CC1CC(C#N)(C(=O)NCC[C@H]2COc3ccccc3O2)C1 ZINC000572092004 337589976 /nfs/dbraw/zinc/58/99/76/337589976.db2.gz NJHHUXAAPTYUAV-JZLYGMAVSA-N 0 0 300.358 2.273 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[C@@H](C)[C@@H]1C ZINC000516150951 338005550 /nfs/dbraw/zinc/00/55/50/338005550.db2.gz ROFXDMDSDLIION-NEPJUHHUSA-N 0 0 315.425 2.193 10 30 DEEERN C=C[C@H](O)C(=O)N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000529636288 340765932 /nfs/dbraw/zinc/76/59/32/340765932.db2.gz IJZVWMPKIBTAEJ-AWEZNQCLSA-N 0 0 319.405 2.055 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(C[C@]2(C)COc3ccccc3O2)C1=O ZINC000530202763 340782467 /nfs/dbraw/zinc/78/24/67/340782467.db2.gz WRPNVKSKTGRUHF-YVEFUNNKSA-N 0 0 316.357 2.103 10 30 DEEERN C=CCOC[C@H]1NC(=O)N([C@H](c2ccccn2)C2CCC2)C1=O ZINC000530204779 340782471 /nfs/dbraw/zinc/78/24/71/340782471.db2.gz XYBXZLSXHKORNL-CABCVRRESA-N 0 0 315.373 2.046 10 30 DEEERN C=CCCOCCCCC(=O)NCC1(O)Cc2ccccc2C1 ZINC000540500612 340933794 /nfs/dbraw/zinc/93/37/94/340933794.db2.gz JSWDPWIEWDYBHK-UHFFFAOYSA-N 0 0 317.429 2.396 10 30 DEEERN CC#CCNC(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 ZINC000135693308 341244317 /nfs/dbraw/zinc/24/43/17/341244317.db2.gz ZCGOAVHJSDGKQR-HNNXBMFYSA-N 0 0 316.401 2.233 10 30 DEEERN C=CCn1c(CC)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 ZINC000548853291 341278184 /nfs/dbraw/zinc/27/81/84/341278184.db2.gz ANBFBTXTYNXGLW-GFCCVEGCSA-N 0 0 319.434 2.369 10 30 DEEERN C=C(C)COc1cccc(NC(=O)N2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000548943472 341281934 /nfs/dbraw/zinc/28/19/34/341281934.db2.gz MNZYKRWJLWCERD-IYBDPMFKSA-N 0 0 318.373 2.273 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N1CC[C@H](Oc2ccccn2)C1 ZINC000549255766 341289726 /nfs/dbraw/zinc/28/97/26/341289726.db2.gz AXOJLFSSAVZLTH-AWEZNQCLSA-N 0 0 313.405 2.469 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CC[C@H](C2CC2)C1 ZINC000549685686 341300597 /nfs/dbraw/zinc/30/05/97/341300597.db2.gz RSHWCNHZTGXOMC-LSDHHAIUSA-N 0 0 318.421 2.178 10 30 DEEERN C=CCCCCCNC(=O)Cc1ccccc1S(C)(=O)=O ZINC000565369973 341525442 /nfs/dbraw/zinc/52/54/42/341525442.db2.gz AMQDJZWSZSRZSH-UHFFFAOYSA-N 0 0 309.431 2.495 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)N[C@@H](c2cc(C)cc(C)c2)C1=O ZINC000577602768 341922384 /nfs/dbraw/zinc/92/23/84/341922384.db2.gz MVQIROQMNISFMB-BPUTZDHNSA-N 0 0 314.385 2.487 10 30 DEEERN Cc1ccc(N2CCN(CC(F)(F)C(F)F)CC2)nc1C#N ZINC000302597405 534166847 /nfs/dbraw/zinc/16/68/47/534166847.db2.gz BJIOCJDBAOPNCS-UHFFFAOYSA-N 0 0 316.302 2.284 10 30 DEEERN C[C@@H]1OCC[C@@H]1NC(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000328918796 534168076 /nfs/dbraw/zinc/16/80/76/534168076.db2.gz BJARNCXTQVJTCD-DRZSPHRISA-N 0 0 320.393 2.218 10 30 DEEERN C[C@H](C#N)CN(C)C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000266103114 534289515 /nfs/dbraw/zinc/28/95/15/534289515.db2.gz SECFRUVKGJTPKX-MRVWCRGKSA-N 0 0 300.358 2.179 10 30 DEEERN O=C(Nc1cnn(C(F)F)c1)C1(N2CCOCC2)CCC1 ZINC000329833171 534331186 /nfs/dbraw/zinc/33/11/86/534331186.db2.gz LFCNILNWQQTWII-UHFFFAOYSA-N 0 0 300.309 2.121 10 30 DEEERN CC(C)(C)OC(=O)N[C@@H](CC=O)C(=O)OCc1ccccc1 ZINC000034278085 518836154 /nfs/dbraw/zinc/83/61/54/518836154.db2.gz HCCRSOLUESXFBI-ZDUSSCGKSA-N 0 0 307.346 2.212 10 30 DEEERN C=C(CC)CNC(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000454039703 534404679 /nfs/dbraw/zinc/40/46/79/534404679.db2.gz JHPGCNZCGCZWIF-SNVBAGLBSA-N 0 0 307.419 2.289 10 30 DEEERN C=C(CC)CNC(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000454737270 534413813 /nfs/dbraw/zinc/41/38/13/534413813.db2.gz CNDVJCPWYXQCJY-CYBMUJFWSA-N 0 0 314.389 2.050 10 30 DEEERN C=C(CC)CNC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000454890823 534413334 /nfs/dbraw/zinc/41/33/34/534413334.db2.gz BNVGJXJQOXJPAH-CABCVRRESA-N 0 0 307.438 2.433 10 30 DEEERN C=CCC1(C(=O)N(C)C[C@@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000449923791 534580870 /nfs/dbraw/zinc/58/08/70/534580870.db2.gz GTECXTBPUBBBBO-AWEZNQCLSA-N 0 0 313.463 2.406 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@H](c2ccccc2)C2CC2)CCN1C1CC1 ZINC000371373716 534736438 /nfs/dbraw/zinc/73/64/38/534736438.db2.gz BJXFHGURRCSVCZ-QZTJIDSGSA-N 0 0 309.413 2.379 10 30 DEEERN C=CCCCS(=O)(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000451631151 534739940 /nfs/dbraw/zinc/73/99/40/534739940.db2.gz HKDPFIDQULVDOD-UHFFFAOYSA-N 0 0 301.452 2.300 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)NCC[C@@](C)(O)COC ZINC000455197693 534838154 /nfs/dbraw/zinc/83/81/54/534838154.db2.gz JAFBFTIJLRISBA-GOSISDBHSA-N 0 0 320.433 2.214 10 30 DEEERN Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC(C#N)CC1 ZINC000195405662 534858400 /nfs/dbraw/zinc/85/84/00/534858400.db2.gz ZDBJERWJMBHBSL-UHFFFAOYSA-N 0 0 302.422 2.461 10 30 DEEERN CC#CCCCC(=O)Nc1cccc(Cn2cccnc2=O)c1 ZINC000362166380 526302899 /nfs/dbraw/zinc/30/28/99/526302899.db2.gz ZWSPUIDLJSKPLZ-UHFFFAOYSA-N 0 0 309.369 2.424 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1noc(C)n1 ZINC000074611041 526338334 /nfs/dbraw/zinc/33/83/34/526338334.db2.gz OUDUPBRWNGVGMO-UHFFFAOYSA-N 0 0 316.361 2.284 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1 ZINC000063398971 526348424 /nfs/dbraw/zinc/34/84/24/526348424.db2.gz IBVAWNOKTTXRGU-HNNXBMFYSA-N 0 0 319.361 2.471 10 30 DEEERN CNC(=O)C1CCC(NC(=O)N2CCO[C@H](C3CC3)C2)CC1 ZINC000330151695 526396044 /nfs/dbraw/zinc/39/60/44/526396044.db2.gz WGNXRZKDQWKJHU-RUXDESIVSA-N 0 0 309.410 2.156 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CC=CCC3)cc2C1=O ZINC000346219729 526410670 /nfs/dbraw/zinc/41/06/70/526410670.db2.gz MHNDTOVZELSQMO-ZDUSSCGKSA-N 0 0 310.353 2.307 10 30 DEEERN C=C(C)CN(C)C(=O)NCc1ncn(Cc2cccc(F)c2)n1 ZINC000444111074 526489602 /nfs/dbraw/zinc/48/96/02/526489602.db2.gz SMKRWGLCUBUBBN-UHFFFAOYSA-N 0 0 317.368 2.183 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)SCc1ncc(C#N)cn1 ZINC000419620906 526544184 /nfs/dbraw/zinc/54/41/84/526544184.db2.gz BXGFJLPIPBVHSE-LBPRGKRZSA-N 0 0 304.419 2.395 10 30 DEEERN N#Cc1cc(C(=O)Nc2ccccc2N2CCCC2=O)ccn1 ZINC000195110607 526545994 /nfs/dbraw/zinc/54/59/94/526545994.db2.gz LFEHLSSFYHRRLM-UHFFFAOYSA-N 0 0 306.325 2.332 10 30 DEEERN C=C(C)COCCNC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000342974935 526652799 /nfs/dbraw/zinc/65/27/99/526652799.db2.gz ZHKIAUCYRBFSEE-UHFFFAOYSA-N 0 0 302.374 2.239 10 30 DEEERN C=C(C)COc1cccc(NC(=O)N2CCCN(C)C(=O)C2)c1 ZINC000191927059 526667039 /nfs/dbraw/zinc/66/70/39/526667039.db2.gz YHEDCCGQWNIAEO-UHFFFAOYSA-N 0 0 317.389 2.338 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC(n2cc(Cl)cn2)CC1 ZINC000376959969 526670730 /nfs/dbraw/zinc/67/07/30/526670730.db2.gz DSPYOKBVJIQRLX-UHFFFAOYSA-N 0 0 303.793 2.363 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000368568517 526675027 /nfs/dbraw/zinc/67/50/27/526675027.db2.gz RKFFUCGQUNJCPO-OAHLLOKOSA-N 0 0 316.351 2.323 10 30 DEEERN C#CCCCCC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000374233667 526690736 /nfs/dbraw/zinc/69/07/36/526690736.db2.gz YWBGVPQADPPWJZ-WBVHZDCISA-N 0 0 312.413 2.486 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@](COC)(C(=O)OCC)C1 ZINC000343852074 526694746 /nfs/dbraw/zinc/69/47/46/526694746.db2.gz LJQKLLYTNJXJGO-RHSMWYFYSA-N 0 0 311.422 2.407 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCCCN1C(=O)c2ccccc2C1=O ZINC000286142104 526698724 /nfs/dbraw/zinc/69/87/24/526698724.db2.gz HTKRRAJAXDPEEA-CYBMUJFWSA-N 0 0 314.385 2.391 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1CCS(C)(=O)=O ZINC000359516399 526707665 /nfs/dbraw/zinc/70/76/65/526707665.db2.gz RCKZDXCLIYJUAL-UONOGXRCSA-N 0 0 301.452 2.405 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCNC(=O)[C@H]1c1ccccc1F ZINC000364053453 526708848 /nfs/dbraw/zinc/70/88/48/526708848.db2.gz CQCXEULNZJGZFJ-SWLSCSKDSA-N 0 0 304.365 2.428 10 30 DEEERN C#CCCCNC(=O)[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000371019997 526715336 /nfs/dbraw/zinc/71/53/36/526715336.db2.gz VTALACYNPCKDNV-INIZCTEOSA-N 0 0 308.385 2.128 10 30 DEEERN C=C(C)C[C@H](C)c1nc(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000289087024 526716028 /nfs/dbraw/zinc/71/60/28/526716028.db2.gz NLNPPYMNEDIJNM-RWMBFGLXSA-N 0 0 307.394 2.318 10 30 DEEERN C=C(C)Cn1c(CC(C)C)nnc1N(CCOC)[C@H]1CCOC1 ZINC000359237021 526727114 /nfs/dbraw/zinc/72/71/14/526727114.db2.gz XFQMOZCZURKIHW-HNNXBMFYSA-N 0 0 322.453 2.294 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCC[C@H](NC(=O)C(C)C)C1)OCC ZINC000339200574 526744594 /nfs/dbraw/zinc/74/45/94/526744594.db2.gz TWCSSERTPCHHSW-LSDHHAIUSA-N 0 0 310.438 2.121 10 30 DEEERN C=CCOCCNC(=O)N[C@@H](c1cnn(C)c1)c1ccccc1 ZINC000378652278 526778273 /nfs/dbraw/zinc/77/82/73/526778273.db2.gz UJHNXXZHLBACES-MRXNPFEDSA-N 0 0 314.389 2.011 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCCN(C(=O)CCC)CC1)OCC ZINC000361203540 526806723 /nfs/dbraw/zinc/80/67/23/526806723.db2.gz LASMOSDRRGTPSH-HNNXBMFYSA-N 0 0 310.438 2.219 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1COC2(CCCCC2)O1 ZINC000377463750 526841550 /nfs/dbraw/zinc/84/15/50/526841550.db2.gz KJMHPIDOQFJALU-RBSFLKMASA-N 0 0 309.406 2.160 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(N2CCOCC2)cn1 ZINC000330222193 526842323 /nfs/dbraw/zinc/84/23/23/526842323.db2.gz RQJAQXGVSJEPOV-GDBMZVCRSA-N 0 0 317.389 2.487 10 30 DEEERN C=CCOc1ccc(C(=O)NCc2ncnn2C(C)C)cc1 ZINC000349838964 526848930 /nfs/dbraw/zinc/84/89/30/526848930.db2.gz JGLMKJWLEGKIDU-UHFFFAOYSA-N 0 0 300.362 2.354 10 30 DEEERN C=CCOc1ccc(CNC(=O)C2CN(CC(F)F)C2)cc1 ZINC000359102024 526874634 /nfs/dbraw/zinc/87/46/34/526874634.db2.gz YERWTNOVWPXARJ-UHFFFAOYSA-N 0 0 310.344 2.065 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)NC2(C(F)F)CC2)c1 ZINC000337735692 526908569 /nfs/dbraw/zinc/90/85/69/526908569.db2.gz RBQVJMLKQPODMA-UHFFFAOYSA-N 0 0 310.300 2.104 10 30 DEEERN C#CCNC(=O)[C@H](C)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191683778 527027461 /nfs/dbraw/zinc/02/74/61/527027461.db2.gz XGJLHZZBUUXYKZ-STQMWFEESA-N 0 0 306.356 2.282 10 30 DEEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1cnc(C)nc1C1CC1 ZINC000411485403 527035777 /nfs/dbraw/zinc/03/57/77/527035777.db2.gz APGHMAZSUKLPFE-GFCCVEGCSA-N 0 0 302.378 2.072 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000376389348 527038758 /nfs/dbraw/zinc/03/87/58/527038758.db2.gz WFWKKXUTNSDYIZ-CQSZACIVSA-N 0 0 317.437 2.468 10 30 DEEERN C=CCC1(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CCC1 ZINC000190595160 527056121 /nfs/dbraw/zinc/05/61/21/527056121.db2.gz TUKCYTFXZRUHFK-LBPRGKRZSA-N 0 0 322.430 2.258 10 30 DEEERN C=CCC1(C(=O)Nc2cncc(C(=O)OC)c2)CCOCC1 ZINC000424730764 527061577 /nfs/dbraw/zinc/06/15/77/527061577.db2.gz CXNQLOXAQCGLMB-UHFFFAOYSA-N 0 0 304.346 2.180 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)Nc1cc(-n2cccn2)ccc1C ZINC000355669493 527067971 /nfs/dbraw/zinc/06/79/71/527067971.db2.gz DLXPTCWOPPPPHQ-CQSZACIVSA-N 0 0 314.389 2.487 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)Nc1ccc(-c2ncon2)cc1 ZINC000341761917 527069363 /nfs/dbraw/zinc/06/93/63/527069363.db2.gz JUMJOUFFKNBZQD-LLVKDONJSA-N 0 0 302.334 2.043 10 30 DEEERN C#CCO[C@H](C)C(=O)Nc1nc(-c2cccc(OC)c2)ns1 ZINC000294522156 527085375 /nfs/dbraw/zinc/08/53/75/527085375.db2.gz GTMXSIIJMOZDAI-SNVBAGLBSA-N 0 0 317.370 2.191 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1sccc1Br ZINC000295869448 527088135 /nfs/dbraw/zinc/08/81/35/527088135.db2.gz CMMRNGYCIDKYHA-QMMMGPOBSA-N 0 0 304.209 2.106 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000337044053 527097969 /nfs/dbraw/zinc/09/79/69/527097969.db2.gz DJQGBLRCYAXYRN-LBPRGKRZSA-N 0 0 322.380 2.477 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000337068924 527099093 /nfs/dbraw/zinc/09/90/93/527099093.db2.gz LSKLTOZLVZYMJL-HNNXBMFYSA-N 0 0 323.352 2.412 10 30 DEEERN C#CCOc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000245735627 527099164 /nfs/dbraw/zinc/09/91/64/527099164.db2.gz BHDRJLRRZSYXEE-BRWVUGGUSA-N 0 0 311.381 2.386 10 30 DEEERN C=CCCCCNC(=O)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000339696642 527141668 /nfs/dbraw/zinc/14/16/68/527141668.db2.gz CERMJXXQSLFUAQ-MRXNPFEDSA-N 0 0 300.402 2.133 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCCNC(=O)C1CC1 ZINC000287432412 527159912 /nfs/dbraw/zinc/15/99/12/527159912.db2.gz QSJODLNQDXILQL-KRWDZBQOSA-N 0 0 312.413 2.044 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(CCC)C[C@@H]1CCCCO1 ZINC000410509312 527172562 /nfs/dbraw/zinc/17/25/62/527172562.db2.gz OXPNQIVVIDZEAM-HNNXBMFYSA-N 0 0 310.438 2.219 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000341840446 527175130 /nfs/dbraw/zinc/17/51/30/527175130.db2.gz MGBFLNSHZAKEMP-LOUJCGABSA-N 0 0 318.417 2.423 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1Cc2ccccc2OC[C@H]1C ZINC000297791806 527175270 /nfs/dbraw/zinc/17/52/70/527175270.db2.gz OBDOLUAEKPMTTN-CQSZACIVSA-N 0 0 316.401 2.221 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000286452277 527176752 /nfs/dbraw/zinc/17/67/52/527176752.db2.gz OZGYODUFXOHUNE-UHFFFAOYSA-N 0 0 323.462 2.481 10 30 DEEERN C=CC[C@H](CO)NC(=O)COc1cccc(OCC(C)C)c1 ZINC000337079161 527194150 /nfs/dbraw/zinc/19/41/50/527194150.db2.gz UGNOANSGLMXIOT-CQSZACIVSA-N 0 0 307.390 2.153 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000287966268 527199486 /nfs/dbraw/zinc/19/94/86/527199486.db2.gz HYCIXWIBXWHOPR-KGLIPLIRSA-N 0 0 322.405 2.391 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000344335128 527200244 /nfs/dbraw/zinc/20/02/44/527200244.db2.gz RENWQAPLULHFOS-BRXULGCHSA-N 0 0 304.390 2.176 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCCc2cnn(C(C)C)c21 ZINC000368147208 527201861 /nfs/dbraw/zinc/20/18/61/527201861.db2.gz INERZNPOUJYZKC-KGLIPLIRSA-N 0 0 306.410 2.078 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cccc2c1OCC[C@H]2OC ZINC000439405027 527202651 /nfs/dbraw/zinc/20/26/51/527202651.db2.gz BUSAJHDWXIHODD-BXUZGUMPSA-N 0 0 306.362 2.215 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccccc1Br ZINC000448372413 527211108 /nfs/dbraw/zinc/21/11/08/527211108.db2.gz GSVSZLOHNPHZRG-UHFFFAOYSA-N 0 0 311.179 2.470 10 30 DEEERN C=CCCCNC(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000448042718 527222047 /nfs/dbraw/zinc/22/20/47/527222047.db2.gz KKYOTOPPKQLOPU-DZGCQCFKSA-N 0 0 301.390 2.446 10 30 DEEERN CC(=O)c1ccc(C#N)c(NC[C@@H](CO)Cc2ccccn2)c1 ZINC000302035952 527225563 /nfs/dbraw/zinc/22/55/63/527225563.db2.gz PIKCUUZGMMAHRG-AWEZNQCLSA-N 0 0 309.369 2.419 10 30 DEEERN C=CCCCS(=O)(=O)Nc1cc(C)nn1C1CCOCC1 ZINC000427741901 527246025 /nfs/dbraw/zinc/24/60/25/527246025.db2.gz FBPPICOIRIBOBT-UHFFFAOYSA-N 0 0 313.423 2.251 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000334009099 527285775 /nfs/dbraw/zinc/28/57/75/527285775.db2.gz WPXDSPHEEQTUEU-KKUMJFAQSA-N 0 0 307.438 2.431 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N1CC[C@@](C)(c2ccccc2)C1 ZINC000410780015 527300139 /nfs/dbraw/zinc/30/01/39/527300139.db2.gz OHHBNDAXQOXDDZ-GOSISDBHSA-N 0 0 300.402 2.211 10 30 DEEERN C=CCn1c(C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 ZINC000282350663 527300934 /nfs/dbraw/zinc/30/09/34/527300934.db2.gz SGHQCEVPEVLNQN-GFCCVEGCSA-N 0 0 305.407 2.115 10 30 DEEERN C=CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC000337844833 527310283 /nfs/dbraw/zinc/31/02/83/527310283.db2.gz GVCNEQYMPFKZFB-AWEZNQCLSA-N 0 0 319.453 2.158 10 30 DEEERN C=CCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H]1CCCO1 ZINC000295999101 527348890 /nfs/dbraw/zinc/34/88/90/527348890.db2.gz QECQZHUBEFXMNI-KBPBESRZSA-N 0 0 306.410 2.321 10 30 DEEERN C=CCCOCCNC(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000288372769 527349206 /nfs/dbraw/zinc/34/92/06/527349206.db2.gz OFTFPVANDGWDJO-UHFFFAOYSA-N 0 0 318.373 2.162 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@@H](C)C[C@@H](C)C1 ZINC000329821257 527352771 /nfs/dbraw/zinc/35/27/71/527352771.db2.gz HCDHPGLYBYEULW-KFWWJZLASA-N 0 0 320.437 2.424 10 30 DEEERN C#C[C@H](NC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1)C(C)C ZINC000282153064 527395447 /nfs/dbraw/zinc/39/54/47/527395447.db2.gz HVWRMKAVUHHSRV-BBRMVZONSA-N 0 0 311.389 2.285 10 30 DEEERN C=CCCO[C@H](C)C(=O)NCc1noc(-c2cccc(F)c2)n1 ZINC000372247741 527399368 /nfs/dbraw/zinc/39/93/68/527399368.db2.gz OEYRGNJNDUGNBQ-LLVKDONJSA-N 0 0 319.336 2.473 10 30 DEEERN C=CCCO[C@H](C)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000188256717 527404133 /nfs/dbraw/zinc/40/41/33/527404133.db2.gz CVTIHRBNVIWLFO-CYBMUJFWSA-N 0 0 300.362 2.246 10 30 DEEERN C=CCCS(=O)(=O)N1CCN(c2ccccc2)C[C@@H]1CC ZINC000186112094 527409141 /nfs/dbraw/zinc/40/91/41/527409141.db2.gz UMDCLYQGBCISTL-HNNXBMFYSA-N 0 0 308.447 2.493 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@]2(O)CCCC2(C)C)cc1 ZINC000297661221 527436457 /nfs/dbraw/zinc/43/64/57/527436457.db2.gz OLVUIHWAYHTZOP-GOSISDBHSA-N 0 0 300.402 2.408 10 30 DEEERN C=CCC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)O2)c1ccccc1 ZINC000338207697 527462187 /nfs/dbraw/zinc/46/21/87/527462187.db2.gz UXLQUSMKHFLHKE-BBWFWOEESA-N 0 0 301.386 2.363 10 30 DEEERN CC(C)C(=O)N1CCC[C@@H]1C(=O)NCC1CCC(C#N)CC1 ZINC000407975823 527475221 /nfs/dbraw/zinc/47/52/21/527475221.db2.gz RJWMFPAKCVHEGV-YMAMQOFZSA-N 0 0 305.422 2.080 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](Cc1ccccc1)OC ZINC000425555932 527496137 /nfs/dbraw/zinc/49/61/37/527496137.db2.gz ROAQTJFFLKYJMB-ULQDDVLXSA-N 0 0 318.417 2.134 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000188496979 527532930 /nfs/dbraw/zinc/53/29/30/527532930.db2.gz KMDVHBNUNUUKDH-LRDDRELGSA-N 0 0 306.410 2.020 10 30 DEEERN C=C[C@H](CC(=O)N(C)C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000340219489 527572699 /nfs/dbraw/zinc/57/26/99/527572699.db2.gz VZMVRVWBLWAPAS-LSDHHAIUSA-N 0 0 321.442 2.239 10 30 DEEERN C=CCN(C1CC1)S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442743496 527579771 /nfs/dbraw/zinc/57/97/71/527579771.db2.gz KODICOGMRQOMSK-UHFFFAOYSA-N 0 0 306.309 2.440 10 30 DEEERN C=CCN(CC=C)C(=O)CN(C[C@H](O)CC)c1ccccc1 ZINC000339727690 527607015 /nfs/dbraw/zinc/60/70/15/527607015.db2.gz LXXNMLARBFWCAN-QGZVFWFLSA-N 0 0 302.418 2.465 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000298143099 527638146 /nfs/dbraw/zinc/63/81/46/527638146.db2.gz OBXZFXUPIJRXLW-OAHLLOKOSA-N 0 0 316.426 2.402 10 30 DEEERN C=CCN(CCC#N)C(=O)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000340620418 527653224 /nfs/dbraw/zinc/65/32/24/527653224.db2.gz SWAYZRAVGVTUQP-ZDUSSCGKSA-N 0 0 315.373 2.261 10 30 DEEERN C=CCN(CCC#N)S(=O)(=O)c1ccc(Cl)c(OC)c1 ZINC000416482097 527660206 /nfs/dbraw/zinc/66/02/06/527660206.db2.gz DUIIANHAONCUNW-UHFFFAOYSA-N 0 0 314.794 2.439 10 30 DEEERN CC(C)Oc1ccc(NC(=O)Cn2cnc(C#N)n2)cc1Cl ZINC000178397587 528183709 /nfs/dbraw/zinc/18/37/09/528183709.db2.gz YOCIASPPGAIMFI-UHFFFAOYSA-N 0 0 319.752 2.229 10 30 DEEERN CC(C)C[C@@](C)(C#N)NC(=O)[C@H]1CN(C)C(=O)c2ccccc21 ZINC000362796935 528424371 /nfs/dbraw/zinc/42/43/71/528424371.db2.gz XSBMEQRPMXWKOL-YJBOKZPZSA-N 0 0 313.401 2.300 10 30 DEEERN CC(C)c1nnc2n1C[C@H](NC(=O)C1(C#N)CCCCC1)CC2 ZINC000195286135 528477546 /nfs/dbraw/zinc/47/75/46/528477546.db2.gz IRYONPDIYRFLCR-CYBMUJFWSA-N 0 0 315.421 2.307 10 30 DEEERN CC(C)n1cnc(S(=O)(=O)NCC2CCC(C#N)CC2)c1 ZINC000443221351 528616961 /nfs/dbraw/zinc/61/69/61/528616961.db2.gz CAWHQQFRAPXLTB-UHFFFAOYSA-N 0 0 310.423 2.072 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCC[C@H](C)O ZINC000447610017 528637836 /nfs/dbraw/zinc/63/78/36/528637836.db2.gz OSHXIOGDCYRPAY-XJKSGUPXSA-N 0 0 304.390 2.239 10 30 DEEERN CCC(CC)(CO)CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000153741229 528703861 /nfs/dbraw/zinc/70/38/61/528703861.db2.gz WRIDTRCVHKXLLB-ZDUSSCGKSA-N 0 0 304.390 2.240 10 30 DEEERN CCN(C[C@H](O)C(F)(F)F)C(=O)NCC1CCC(C#N)CC1 ZINC000442743172 528729190 /nfs/dbraw/zinc/72/91/90/528729190.db2.gz YJUWRMJOOKQRGI-MCIGGMRASA-N 0 0 321.343 2.271 10 30 DEEERN CC1(C#N)CCN(CC(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000408160549 528840858 /nfs/dbraw/zinc/84/08/58/528840858.db2.gz WDWVBNBUJAZDQM-UHFFFAOYSA-N 0 0 304.419 2.196 10 30 DEEERN CC(C)[C@@](C)(C#N)NC(=O)CNc1cccc2c1OCCC2 ZINC000378140797 528853131 /nfs/dbraw/zinc/85/31/31/528853131.db2.gz VMWGUEDWAJQQLL-QGZVFWFLSA-N 0 0 301.390 2.478 10 30 DEEERN CCOC(=O)C[C@H](C)CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188944246 528883344 /nfs/dbraw/zinc/88/33/44/528883344.db2.gz ABCRGYVTDJFLOZ-ZDUSSCGKSA-N 0 0 314.385 2.295 10 30 DEEERN CCC[C@@H](C)N1C[C@H](C(=O)N2CCC(C)(C#N)CC2)CC1=O ZINC000356982725 528892380 /nfs/dbraw/zinc/89/23/80/528892380.db2.gz VOEMRUCOZPULAZ-ZIAGYGMSSA-N 0 0 305.422 2.176 10 30 DEEERN CC(C)N1C[C@H](NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)CC1=O ZINC000329619893 529097528 /nfs/dbraw/zinc/09/75/28/529097528.db2.gz GOXBQGFTKCGBIW-HIFRSBDPSA-N 0 0 305.422 2.174 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)c2ccc(C#N)n2C)C12CCCC2 ZINC000449984873 535491620 /nfs/dbraw/zinc/49/16/20/535491620.db2.gz AEXKGJMHXKCTEH-LSDHHAIUSA-N 0 0 301.390 2.364 10 30 DEEERN Cn1cc(C#N)cc1C(=O)O[C@H]([C@H]1CCCO1)C(F)(F)F ZINC000158803713 625332069 /nfs/dbraw/zinc/33/20/69/625332069.db2.gz AFRXMLSPJDKGNP-GHMZBOCLSA-N 0 0 302.252 2.163 10 30 DEEERN C#CCCCNC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000179065900 625343922 /nfs/dbraw/zinc/34/39/22/625343922.db2.gz UEFMXMGPWHBFMX-WFASDCNBSA-N 0 0 308.328 2.196 10 30 DEEERN CC(=O)N[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1 ZINC000176819354 625348031 /nfs/dbraw/zinc/34/80/31/625348031.db2.gz DBRWFXDFAXKIJS-HNNXBMFYSA-N 0 0 323.352 2.470 10 30 DEEERN C=CCCO[C@H](C)C(=O)OCCc1c[nH]nc1C(F)(F)F ZINC000065653521 625346893 /nfs/dbraw/zinc/34/68/93/625346893.db2.gz BARBOCVMQDHRFU-SECBINFHSA-N 0 0 306.284 2.495 10 30 DEEERN COCCCNC(=O)C(C#N)=C(O)C(C)=Cc1ccc(F)cc1 ZINC000255009313 622950206 /nfs/dbraw/zinc/95/02/06/622950206.db2.gz MSDQZWYJVXPJBI-KUGGDMIFSA-N 0 0 318.348 2.091 10 30 DEEERN COc1ccc(O)c(/C=N\[C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000255753822 625649682 /nfs/dbraw/zinc/64/96/82/625649682.db2.gz IRDOBJAYAVHCMV-LPKQHDGYSA-N 0 0 312.373 2.279 10 30 DEEERN C#C[C@@H](OC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)C1CC1 ZINC000255906931 625194676 /nfs/dbraw/zinc/19/46/76/625194676.db2.gz WWASRFIAVMMYDT-UJNBGNEJSA-N 0 0 319.382 2.026 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000122890476 625196773 /nfs/dbraw/zinc/19/67/73/625196773.db2.gz OPMYYAUOHOCUDI-UHFFFAOYSA-N 0 0 312.347 2.156 10 30 DEEERN Cc1cc(C(=O)N2CC(CO)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000122576976 625812912 /nfs/dbraw/zinc/81/29/12/625812912.db2.gz MLZPPIOSBBBLBA-UHFFFAOYSA-N 0 0 309.369 2.030 10 30 DEEERN C#CCCNC(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC000733633603 633248063 /nfs/dbraw/zinc/24/80/63/633248063.db2.gz JKBBSKPCWKJIBT-UHFFFAOYSA-N 0 0 304.350 2.413 10 30 DEEERN C=C(COC(=O)/C=C\c1ccc(OC)c(O)c1)C(=O)OCC ZINC000734028962 633312683 /nfs/dbraw/zinc/31/26/83/633312683.db2.gz HSMNCRXXRFTMSK-VURMDHGXSA-N 0 0 306.314 2.077 10 30 DEEERN C=C(COC(=O)c1cc(-c2ccc(C)o2)[nH]n1)C(=O)OCC ZINC000734028478 633312690 /nfs/dbraw/zinc/31/26/90/633312690.db2.gz CIUGCRONEIZQGR-UHFFFAOYSA-N 0 0 304.302 2.254 10 30 DEEERN C=CC[C@H](NC(=O)c1cnn2ccc(C)nc12)c1ccncc1 ZINC000734234754 633348233 /nfs/dbraw/zinc/34/82/33/633348233.db2.gz SIVDBFYZCGVWQB-HNNXBMFYSA-N 0 0 307.357 2.480 10 30 DEEERN N#CCOc1ccc(Cl)cc1Cn1nc2ccccn2c1=O ZINC000735230075 633487958 /nfs/dbraw/zinc/48/79/58/633487958.db2.gz BMQREASTMDPFKG-UHFFFAOYSA-N 0 0 314.732 2.100 10 30 DEEERN CCN(CC(=O)N(C)C)Cc1cc(Cl)ccc1OCC#N ZINC000735363901 633505958 /nfs/dbraw/zinc/50/59/58/633505958.db2.gz GOGDHLIPBRWOEM-UHFFFAOYSA-N 0 0 309.797 2.152 10 30 DEEERN C#CCN1CCC(C(=O)OCC(=O)c2c[nH]c3ccccc23)CC1 ZINC000735940205 633553792 /nfs/dbraw/zinc/55/37/92/633553792.db2.gz NJKZMYPYJIXWTL-UHFFFAOYSA-N 0 0 324.380 2.239 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cc3occc3s2)CCN1C1CC1 ZINC000736018169 633562312 /nfs/dbraw/zinc/56/23/12/633562312.db2.gz HZXPHMHGWUIBBT-NSHDSACASA-N 0 0 301.371 2.307 10 30 DEEERN C=CCCCN(C)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000736589168 633662698 /nfs/dbraw/zinc/66/26/98/633662698.db2.gz CGFHVRLHONNSGC-HNNXBMFYSA-N 0 0 301.390 2.005 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000320292338 633936807 /nfs/dbraw/zinc/93/68/07/633936807.db2.gz QIFQBNQVRAMNLP-LJTDUEICSA-N 0 0 301.795 2.167 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NC[C@@H](O)c1ccccc1OC ZINC000188435576 636255902 /nfs/dbraw/zinc/25/59/02/636255902.db2.gz ANYBWHYYINCOMR-RHSMWYFYSA-N 0 0 307.390 2.074 10 30 DEEERN CCCN(CC(C)(C)O)C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747433181 636442418 /nfs/dbraw/zinc/44/24/18/636442418.db2.gz WGTSUMOULMOCJI-UHFFFAOYSA-N 0 0 319.405 2.259 10 30 DEEERN C=CC[C@H](NC(=O)N[C@H]1CCC[C@H](C(N)=O)C1)c1ccncc1 ZINC000739022401 637560584 /nfs/dbraw/zinc/56/05/84/637560584.db2.gz ZXBZWOKBJZWFEJ-KKUMJFAQSA-N 0 0 316.405 2.042 10 30 DEEERN COC[C@H]1CN(Cc2cc(Cl)ccc2OCC#N)CCO1 ZINC000741794257 638015222 /nfs/dbraw/zinc/01/52/22/638015222.db2.gz GZQGYEZYSXSJJT-CQSZACIVSA-N 0 0 310.781 2.090 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cc3cccc(F)c3o2)CCN1C1CC1 ZINC000741928383 638024924 /nfs/dbraw/zinc/02/49/24/638024924.db2.gz OKAQWBJIBOCGOM-ZDUSSCGKSA-N 0 0 313.332 2.384 10 30 DEEERN C#Cc1ccc(C(=O)NC[C@H](C(=O)OCC)c2ccccc2)cn1 ZINC000742111653 638036537 /nfs/dbraw/zinc/03/65/37/638036537.db2.gz VMQBVZMEOGHNLN-KRWDZBQOSA-N 0 0 322.364 2.140 10 30 DEEERN CCn1c(-c2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC000742407298 638069300 /nfs/dbraw/zinc/06/93/00/638069300.db2.gz IGPZBWSTRQCMOZ-MRXNPFEDSA-N 0 0 322.416 2.142 10 30 DEEERN C=CCOc1ccc(C=NN2C(=S)N=NC2CCOC)cc1 ZINC000743447157 638147154 /nfs/dbraw/zinc/14/71/54/638147154.db2.gz MEWDRQATHPERPI-UHFFFAOYSA-N 0 0 318.402 2.203 10 30 DEEERN C#CCOc1ccccc1CNC(=O)COc1ccc(O)cc1 ZINC000746265976 638327505 /nfs/dbraw/zinc/32/75/05/638327505.db2.gz BEJGOTQNWZVMAX-UHFFFAOYSA-N 0 0 311.337 2.099 10 30 DEEERN COc1ccc(CNc2ccc(C(=O)NC3CC3)cn2)cc1C#N ZINC000746704962 638371642 /nfs/dbraw/zinc/37/16/42/638371642.db2.gz KTSBLUVIKIWDJV-UHFFFAOYSA-N 0 0 322.368 2.466 10 30 DEEERN COc1ccc(CNC(=O)N[C@@H](C)C[C@H]2CCOC2)cc1C#N ZINC000746748850 638374117 /nfs/dbraw/zinc/37/41/17/638374117.db2.gz WZPIQGVQMRQBCT-GXTWGEPZSA-N 0 0 317.389 2.181 10 30 DEEERN COc1ccc(CNC(=O)N(C)CCOCC2CC2)cc1C#N ZINC000746776275 638377572 /nfs/dbraw/zinc/37/75/72/638377572.db2.gz YWOKKWQPGLKANL-UHFFFAOYSA-N 0 0 317.389 2.135 10 30 DEEERN C#CC[C@H](OC(=O)c1cccc(OCC(=O)OC)c1)C(C)C ZINC000747192397 638416977 /nfs/dbraw/zinc/41/69/77/638416977.db2.gz CJOZEFTUQPHYHD-HNNXBMFYSA-N 0 0 304.342 2.443 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1ccc(OC)c(O)c1 ZINC000748202018 638528138 /nfs/dbraw/zinc/52/81/38/638528138.db2.gz MBBRLHQEURROQD-LBPRGKRZSA-N 0 0 321.373 2.371 10 30 DEEERN COc1ccc(C(=O)OCC(=O)c2ccc(C#N)cc2)cc1O ZINC000748301447 638539001 /nfs/dbraw/zinc/53/90/01/638539001.db2.gz GGDJHEIYDUAPJO-UHFFFAOYSA-N 0 0 311.293 2.312 10 30 DEEERN CNC(=O)c1cc(OC)ccc1NC(=O)Cc1cccc(C#N)c1 ZINC000749371236 638639738 /nfs/dbraw/zinc/63/97/38/638639738.db2.gz LROHRPZNFPVZNX-UHFFFAOYSA-N 0 0 323.352 2.108 10 30 DEEERN CC(C)N(C(=O)COC(=O)Cc1cccc(C#N)c1)C(C)C ZINC000750433735 638744950 /nfs/dbraw/zinc/74/49/50/638744950.db2.gz FXSOHYJWOCFQOQ-UHFFFAOYSA-N 0 0 302.374 2.289 10 30 DEEERN CC(=O)c1ccc(O)c(CCOC(=O)c2cc(C#N)cn2C)c1 ZINC000751731400 639113298 /nfs/dbraw/zinc/11/32/98/639113298.db2.gz PIZAWFLHJXNEMO-UHFFFAOYSA-N 0 0 312.325 2.204 10 30 DEEERN C#CCN(CC#C)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000752150194 639158047 /nfs/dbraw/zinc/15/80/47/639158047.db2.gz NDWDHQLCLFECQB-UHFFFAOYSA-N 0 0 314.772 2.175 10 30 DEEERN CCCCC[C@@H](NC(=O)Cc1cccc(C#N)c1)C(=O)OC ZINC000752438583 639184243 /nfs/dbraw/zinc/18/42/43/639184243.db2.gz MLOLSHAVCQVKAN-OAHLLOKOSA-N 0 0 302.374 2.339 10 30 DEEERN C#Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)nc1 ZINC000728809362 639429313 /nfs/dbraw/zinc/42/93/13/639429313.db2.gz JUSKRUSLNKSCNS-GJZGRUSLSA-N 0 0 316.426 2.190 10 30 DEEERN C#CCCCS(=O)(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000805064445 639436002 /nfs/dbraw/zinc/43/60/02/639436002.db2.gz NKEYBLCAAOQTOJ-CYBMUJFWSA-N 0 0 311.451 2.340 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccc2c(c1)N(C)CC2)C(C)(C)C ZINC000805146417 639839577 /nfs/dbraw/zinc/83/95/77/639839577.db2.gz FRTUTLWOHUGPRA-HNNXBMFYSA-N 0 0 306.431 2.005 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccc(C)c(N(C)C)c1)C(C)(C)C ZINC000805146499 639839841 /nfs/dbraw/zinc/83/98/41/639839841.db2.gz IVAFATAJTZSHEG-HNNXBMFYSA-N 0 0 308.447 2.387 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccc2c(c1)N(C)CCC2)C(C)(C)C ZINC000805149019 639849331 /nfs/dbraw/zinc/84/93/31/639849331.db2.gz TWTNKWXCKUFTOP-INIZCTEOSA-N 0 0 320.458 2.395 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NOCC(F)(F)F ZINC000805217164 640256116 /nfs/dbraw/zinc/25/61/16/640256116.db2.gz IHKZCOXPJKLIIP-GFCCVEGCSA-N 0 0 300.280 2.414 10 30 DEEERN N#Cc1cnn(C(=O)Cc2ccc(OC(F)(F)F)cc2)c1N ZINC000057556516 640297546 /nfs/dbraw/zinc/29/75/46/640297546.db2.gz AMONCUUSGHNLSI-UHFFFAOYSA-N 0 0 310.235 2.118 10 30 DEEERN COc1ccc(CNC(=O)N[C@@H]2CSC[C@@H]2C)cc1C#N ZINC000805223025 640298931 /nfs/dbraw/zinc/29/89/31/640298931.db2.gz UCGYKGRSSKZEPI-GXFFZTMASA-N 0 0 305.403 2.118 10 30 DEEERN COc1ccc(CNC(=O)N[C@H]2CSC[C@@H]2C)cc1C#N ZINC000805223024 640299175 /nfs/dbraw/zinc/29/91/75/640299175.db2.gz UCGYKGRSSKZEPI-GWCFXTLKSA-N 0 0 305.403 2.118 10 30 DEEERN CC#CCNC(=O)N1CCC([C@H](O)c2ccccc2C)CC1 ZINC000805242759 640411468 /nfs/dbraw/zinc/41/14/68/640411468.db2.gz NODRNVSOUVSMTG-KRWDZBQOSA-N 0 0 300.402 2.473 10 30 DEEERN C#CCN(CC#C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000800918304 640528764 /nfs/dbraw/zinc/52/87/64/640528764.db2.gz IKAMHTZELFCCAO-UHFFFAOYSA-N 0 0 315.316 2.271 10 30 DEEERN CC(C)(C)C1N=NC(=S)N1N=Cc1cnn2ccccc12 ZINC000729635761 640817486 /nfs/dbraw/zinc/81/74/86/640817486.db2.gz LIGQVOVMJBZQFT-UHFFFAOYSA-N 0 0 300.391 2.394 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1c[nH]cc2nc(C(F)(F)F)nc1-2 ZINC000900944161 642525973 /nfs/dbraw/zinc/52/59/73/642525973.db2.gz IARPKFSZWFCJJU-APPZFPTMSA-N 0 0 323.278 2.399 10 30 DEEERN C=C(COC(=O)c1ncsc1Br)C(=O)OCC ZINC000805709903 642792215 /nfs/dbraw/zinc/79/22/15/642792215.db2.gz BIBRZPDBNOAEID-UHFFFAOYSA-N 0 0 320.164 2.182 10 30 DEEERN C#CCNC(=O)COC(=O)c1ccccc1Cc1ccccc1 ZINC000026911659 644179926 /nfs/dbraw/zinc/17/99/26/644179926.db2.gz CYRMXUYWQINHHT-UHFFFAOYSA-N 0 0 307.349 2.184 10 30 DEEERN Cc1onc(CC(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)c1C#N ZINC000800578691 645289784 /nfs/dbraw/zinc/28/97/84/645289784.db2.gz DKYILESIIOUZEC-CYBMUJFWSA-N 0 0 315.760 2.334 10 30 DEEERN CC#CC(=O)NCC1(c2cc(C)ccc2OC)CCOCC1 ZINC000801139804 645345411 /nfs/dbraw/zinc/34/54/11/645345411.db2.gz RCBLQQVPMWDGIB-UHFFFAOYSA-N 0 0 301.386 2.191 10 30 DEEERN C#CC[C@H](OC(=O)COCc1cc(C)no1)c1ccccn1 ZINC000802073643 645478151 /nfs/dbraw/zinc/47/81/51/645478151.db2.gz NNLRKZPBODJCMS-HNNXBMFYSA-N 0 0 300.314 2.202 10 30 DEEERN COCc1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1 ZINC000802243502 645507356 /nfs/dbraw/zinc/50/73/56/645507356.db2.gz BVOATIPUBPGMHB-UHFFFAOYSA-N 0 0 311.389 2.213 10 30 DEEERN C#CCN1CCN(c2nnc(CCC(C)C)n2CC(=C)C)CC1 ZINC000802565405 645534667 /nfs/dbraw/zinc/53/46/67/645534667.db2.gz UVOKAGIMZVGYJE-UHFFFAOYSA-N 0 0 315.465 2.198 10 30 DEEERN C#C[C@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@@H]1CCCO1 ZINC000803120916 645610122 /nfs/dbraw/zinc/61/01/22/645610122.db2.gz STUCGNOQJXAKGV-HOTGVXAUSA-N 0 0 312.344 2.026 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000803699621 645681638 /nfs/dbraw/zinc/68/16/38/645681638.db2.gz JUVONBDRNGZCRT-NSHDSACASA-N 0 0 319.307 2.498 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)c1ccc(OC)cc1OC ZINC000803699735 645681776 /nfs/dbraw/zinc/68/17/76/645681776.db2.gz ODFRRXFTWYGDJR-UHFFFAOYSA-N 0 0 314.337 2.093 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](O)c1cccc(OC)c1 ZINC000804458202 645774144 /nfs/dbraw/zinc/77/41/44/645774144.db2.gz INWHIDSEGQMOLF-IEBWSBKVSA-N 0 0 323.392 2.479 10 30 DEEERN C#Cc1cncc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000806306665 645815983 /nfs/dbraw/zinc/81/59/83/645815983.db2.gz RAMJNZSFSOYRMY-UHFFFAOYSA-N 0 0 307.353 2.152 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1nc2ccccn2n1 ZINC000806401667 645826834 /nfs/dbraw/zinc/82/68/34/645826834.db2.gz WZHXBMRSYLQFQL-HNNXBMFYSA-N 0 0 319.368 2.485 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000806523134 645840895 /nfs/dbraw/zinc/84/08/95/645840895.db2.gz BCYXTYUUPHORNC-ZDUSSCGKSA-N 0 0 301.308 2.219 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](c1nnc2ccccn21)C(C)C ZINC000806926992 645891530 /nfs/dbraw/zinc/89/15/30/645891530.db2.gz ZKXQLGUBAZMULL-MRXNPFEDSA-N 0 0 308.385 2.205 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806959730 645895718 /nfs/dbraw/zinc/89/57/18/645895718.db2.gz QWCSLKGMRQLJTA-UHFFFAOYSA-N 0 0 304.390 2.277 10 30 DEEERN C=CCCCCNC(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806982194 645896638 /nfs/dbraw/zinc/89/66/38/645896638.db2.gz GJIFLLHDDLPJSQ-UHFFFAOYSA-N 0 0 304.390 2.325 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC[C@H](O)CC ZINC000807465605 645953748 /nfs/dbraw/zinc/95/37/48/645953748.db2.gz DCMYGHFUGHZTQJ-DLBZAZTESA-N 0 0 302.418 2.471 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C[C@H](C)O)C(C)C ZINC000807468050 645954344 /nfs/dbraw/zinc/95/43/44/645954344.db2.gz NCGYPOHSEYIGMJ-RDJZCZTQSA-N 0 0 302.418 2.422 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@]1(C)CO ZINC000807470737 645955704 /nfs/dbraw/zinc/95/57/04/645955704.db2.gz UPMTUIKXQZUKOC-WMZOPIPTSA-N 0 0 300.402 2.177 10 30 DEEERN C#Cc1cncc(C(=O)N2CCC[C@](CO)(c3ccccc3)C2)c1 ZINC000807485414 645956634 /nfs/dbraw/zinc/95/66/34/645956634.db2.gz NJEOIJBYRXPODG-FQEVSTJZSA-N 0 0 320.392 2.229 10 30 DEEERN CC(=NNc1cn[nH]c(=O)c1Cl)c1cn2c(n1)CCCC2 ZINC000807958990 646012337 /nfs/dbraw/zinc/01/23/37/646012337.db2.gz LTTIZEAWIGTZPB-UHFFFAOYSA-N 0 0 306.757 2.205 10 30 DEEERN CCc1nnc([C@]23CCC[C@H]2CN(c2ncccc2C#N)C3)o1 ZINC000912368730 646045600 /nfs/dbraw/zinc/04/56/00/646045600.db2.gz UUOPTRROTNDKDL-GUYCJALGSA-N 0 0 309.373 2.457 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)OCCNC(=O)c1ccccc1 ZINC000187607587 646495382 /nfs/dbraw/zinc/49/53/82/646495382.db2.gz AVQPKFKZSPPSBQ-KRWDZBQOSA-N 0 0 305.374 2.188 10 30 DEEERN Cc1nn(C)cc1NC(=O)CSCc1ccc(C#N)cc1 ZINC000172752290 646749793 /nfs/dbraw/zinc/74/97/93/646749793.db2.gz FFXBIXNPCBXGJT-UHFFFAOYSA-N 0 0 300.387 2.472 10 30 DEEERN C#C[C@@H](C)OC(=O)c1ccc(I)cc1 ZINC000174456961 646810085 /nfs/dbraw/zinc/81/00/85/646810085.db2.gz KFSOIPRAEJLJQT-MRVPVSSYSA-N 0 0 300.095 2.470 10 30 DEEERN C#CCN(CC#C)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000174523632 646813121 /nfs/dbraw/zinc/81/31/21/646813121.db2.gz DGMYYZRBDMXJNW-WMLDXEAASA-N 0 0 305.805 2.347 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1 ZINC000730347905 646958860 /nfs/dbraw/zinc/95/88/60/646958860.db2.gz JFMMLDDENHJKJW-NILFDRSVSA-N 0 0 303.358 2.033 10 30 DEEERN C#CCOc1ccc([C@@H](C)OC(=O)CCN2CCCC2=O)cc1 ZINC000730430710 647192915 /nfs/dbraw/zinc/19/29/15/647192915.db2.gz SMYXOMWOLUFGOZ-CQSZACIVSA-N 0 0 315.369 2.315 10 30 DEEERN CC(C)Cn1cc(C(=O)OCC(=O)NCC#N)c2ccccc21 ZINC000731242873 647460767 /nfs/dbraw/zinc/46/07/67/647460767.db2.gz RLWCFZCKUPXKMX-UHFFFAOYSA-N 0 0 313.357 2.094 10 30 DEEERN N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccc(Cl)cc1 ZINC000731903896 647519845 /nfs/dbraw/zinc/51/98/45/647519845.db2.gz YOFDQMRFXZAZFL-UHFFFAOYSA-N 0 0 321.789 2.471 10 30 DEEERN C/C(=C/C(=O)NC1(C#N)CC[NH+](C)CC1)c1cccc(F)c1 ZINC000732081559 647540475 /nfs/dbraw/zinc/54/04/75/647540475.db2.gz ZPWCQKALCSNWGY-RAXLEYEMSA-N 0 0 301.365 2.333 10 30 DEEERN C=C(Br)CN1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000732412774 647578997 /nfs/dbraw/zinc/57/89/97/647578997.db2.gz WQGSEVLTESMRSN-GFCCVEGCSA-N 0 0 301.228 2.229 10 30 DEEERN C[C@@H]1CCCC[C@@H]1NC(=S)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732626780 647632852 /nfs/dbraw/zinc/63/28/52/647632852.db2.gz OKEKYYMMDQDWNI-YUELXQCFSA-N 0 0 306.479 2.112 10 30 DEEERN Cc1ccc2c(c1)[C@H](NC(=O)N1CCN(C3CC3)[C@@H](C#N)C1)CC2 ZINC000732677756 647638171 /nfs/dbraw/zinc/63/81/71/647638171.db2.gz XLIKNHBPXXQQMN-FUHWJXTLSA-N 0 0 324.428 2.364 10 30 DEEERN C=CCCOC(=O)CSc1nncn1-c1ccc(OC)cc1 ZINC000064606821 648346783 /nfs/dbraw/zinc/34/67/83/648346783.db2.gz APQXKOZHFSSIBP-UHFFFAOYSA-N 0 0 319.386 2.487 10 30 DEEERN C=CCN(CC(=O)OCC)c1cc(C)nc(-c2ccncc2)n1 ZINC000180075633 648454571 /nfs/dbraw/zinc/45/45/71/648454571.db2.gz FXIZDWXTDNBAQW-UHFFFAOYSA-N 0 0 312.373 2.403 10 30 DEEERN CC[C@H](C#N)OC(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000180078407 648454595 /nfs/dbraw/zinc/45/45/95/648454595.db2.gz RKUBVLOJCDXZPV-CQSZACIVSA-N 0 0 319.380 2.427 10 30 DEEERN C#CC[C@@H](OC(=O)c1ccnc(O[C@H]2CCOC2)c1)C(C)C ZINC000183649498 649128260 /nfs/dbraw/zinc/12/82/60/649128260.db2.gz YSZVKUVKVUWYND-LSDHHAIUSA-N 0 0 303.358 2.454 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)OCCc1cnccn1 ZINC000184299952 649252790 /nfs/dbraw/zinc/25/27/90/649252790.db2.gz RYQKNDXCHHODKR-UHFFFAOYSA-N 0 0 314.341 2.450 10 30 DEEERN C=CCOc1ccc(COC(=O)CNC(=O)C(C)(C)C)cc1 ZINC000184828936 649384833 /nfs/dbraw/zinc/38/48/33/649384833.db2.gz KQHXARZVUWPDBC-UHFFFAOYSA-N 0 0 305.374 2.457 10 30 DEEERN C#CCCNC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000733247996 649463864 /nfs/dbraw/zinc/46/38/64/649463864.db2.gz IEWPLBAYPBUUDC-UHFFFAOYSA-N 0 0 318.174 2.388 10 30 DEEERN C#CCC(C)(C)C(=O)NCCc1csc(N2CCCC2)n1 ZINC000185613625 649571634 /nfs/dbraw/zinc/57/16/34/649571634.db2.gz JXRYKBDWEKVWLZ-UHFFFAOYSA-N 0 0 305.447 2.452 10 30 DEEERN C#CCOc1ccccc1[C@H](C)OC(=O)CCN1CCCC1=O ZINC000107059421 651411089 /nfs/dbraw/zinc/41/10/89/651411089.db2.gz BZUFBRUJDPCIPC-AWEZNQCLSA-N 0 0 315.369 2.315 10 30 DEEERN Cn1ccnc1[C@@H]1OCCC[C@H]1CNC(=O)c1cccc(C#N)c1 ZINC000858008028 652236113 /nfs/dbraw/zinc/23/61/13/652236113.db2.gz HEEVHXLOMVFDFC-JKSUJKDBSA-N 0 0 324.384 2.189 10 30 DEEERN C=CCN(CC(=O)OCC)Cc1ncccc1Br ZINC000381295126 685401042 /nfs/dbraw/zinc/40/10/42/685401042.db2.gz YPKVCPDYLWXCMQ-UHFFFAOYSA-N 0 0 313.195 2.395 10 30 DEEERN C#CCN(CC#C)C(=O)[C@@H](C)Oc1ccccc1Br ZINC000075399732 683936127 /nfs/dbraw/zinc/93/61/27/683936127.db2.gz YAXCITNHWSWJPX-GFCCVEGCSA-N 0 0 320.186 2.311 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1sccc1C(=O)NC1CC1 ZINC000081053997 683987718 /nfs/dbraw/zinc/98/77/18/683987718.db2.gz IQPRBJQPAZDOSF-UHFFFAOYSA-N 0 0 314.370 2.103 10 30 DEEERN C=CCNC(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000081530529 683991463 /nfs/dbraw/zinc/99/14/63/683991463.db2.gz BQPBNIOSMIAOLO-AWEZNQCLSA-N 0 0 313.401 2.498 10 30 DEEERN C=CCC[C@H](C)OC(=O)CCNS(=O)(=O)c1ccccc1 ZINC000089319885 684022210 /nfs/dbraw/zinc/02/22/10/684022210.db2.gz DVFDUZZEMSJZSH-ZDUSSCGKSA-N 0 0 311.403 2.253 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)C(C)(C)C ZINC000123013463 684121269 /nfs/dbraw/zinc/12/12/69/684121269.db2.gz KWDZTZARVCHDGZ-LLVKDONJSA-N 0 0 320.364 2.327 10 30 DEEERN CCC(=O)N1CC[C@H](C(=O)OC[C@@H](C#N)Cc2ccccc2)C1 ZINC000124855417 684139266 /nfs/dbraw/zinc/13/92/66/684139266.db2.gz AIOYUYCBSCJWOS-CVEARBPZSA-N 0 0 314.385 2.171 10 30 DEEERN C=CCOc1ccc(C(=O)OCC2CCS(=O)(=O)CC2)cc1 ZINC000128776583 684173721 /nfs/dbraw/zinc/17/37/21/684173721.db2.gz HRYLESYUXCBNTL-UHFFFAOYSA-N 0 0 324.398 2.233 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CN1C[C@H](C)OC[C@@H]1C ZINC000131042957 684195718 /nfs/dbraw/zinc/19/57/18/684195718.db2.gz JCJUANRKHXAECU-STQMWFEESA-N 0 0 311.389 2.192 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)c1c[nH]c(=O)cc1C ZINC000131749532 684202167 /nfs/dbraw/zinc/20/21/67/684202167.db2.gz GZIHXONHQGYLKY-UHFFFAOYSA-N 0 0 300.289 2.087 10 30 DEEERN Cc1cnn(CCNC(=O)Nc2ccc(F)cc2OCC#N)c1 ZINC000135340479 684234678 /nfs/dbraw/zinc/23/46/78/684234678.db2.gz POVDMTNHKWOUCY-UHFFFAOYSA-N 0 0 317.324 2.055 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)c1ccsc1 ZINC000155558397 684276110 /nfs/dbraw/zinc/27/61/10/684276110.db2.gz RZVJKPLVRDGHSM-BXUZGUMPSA-N 0 0 316.382 2.237 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)c1cn2ccnc2s1 ZINC000188435428 684355860 /nfs/dbraw/zinc/35/58/60/684355860.db2.gz JTYYPPLKTFHTEG-UHFFFAOYSA-N 0 0 324.365 2.011 10 30 DEEERN C#CCOCCC(=O)N[C@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000193860766 685051233 /nfs/dbraw/zinc/05/12/33/685051233.db2.gz ICAWBYVSFDKZHC-HNNXBMFYSA-N 0 0 323.776 2.100 10 30 DEEERN C=C(Br)COC(=O)[C@@H](CC(C)C)NC(=O)OC ZINC000194871691 685079790 /nfs/dbraw/zinc/07/97/90/685079790.db2.gz NGJGXLFLPXYNJI-SECBINFHSA-N 0 0 308.172 2.209 10 30 DEEERN Cc1c(C(=O)N[C@@H](C)c2ncccc2F)cnn1CCC#N ZINC000909635880 693034991 /nfs/dbraw/zinc/03/49/91/693034991.db2.gz YBNFMWYSGDQLIV-JTQLQIEISA-N 0 0 301.325 2.130 10 30 DEEERN C[C@@](O)(CNOCCC(F)(F)F)C(F)(F)C(F)(F)F ZINC000724035542 777225605 /nfs/dbraw/zinc/22/56/05/777225605.db2.gz FEFXIETXPFQMGA-RXMQYKEDSA-N 0 0 305.165 2.409 10 30 DEEERN CO[C@H]1CC[C@H]1N(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000724118828 777246116 /nfs/dbraw/zinc/24/61/16/777246116.db2.gz CGCMQMBJXOMSQG-OLZOCXBDSA-N 0 0 314.794 2.010 10 30 DEEERN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)O[C@H](CC)CC#N ZINC000588558140 777415740 /nfs/dbraw/zinc/41/57/40/777415740.db2.gz ZGBDJMCXUMLVMT-RLLAQXBXSA-N 0 0 310.419 2.480 10 30 DEEERN N#Cc1cc(F)c(NCC[C@@H]2CCCS2(=O)=O)c(F)c1 ZINC000714326358 792307120 /nfs/dbraw/zinc/30/71/20/792307120.db2.gz AMBDTRWEKKLLAV-JTQLQIEISA-N 0 0 300.330 2.216 10 30 DEEERN C#CC[C@@H](COC)NC(=O)/C=C\c1ccc(Br)o1 ZINC000716823514 793008896 /nfs/dbraw/zinc/00/88/96/793008896.db2.gz ZZBOGTSDJUJWCN-ZEBCKKTISA-N 0 0 312.163 2.210 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000050710009 1078476354 /nfs/dbraw/zinc/47/63/54/1078476354.db2.gz FYAAFTHRVYYELC-MRVPVSSYSA-N 0 0 310.741 2.452 10 30 DEEERN CN(C1(C(F)(F)F)CC1)S(=O)(=O)c1ccccc1C#N ZINC000720345023 1088407371 /nfs/dbraw/zinc/40/73/71/1088407371.db2.gz PFBVOQGQEYXPOE-UHFFFAOYSA-N 0 0 304.293 2.274 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)NCC[C@@H]2CCSC2)c1 ZINC000719996782 1089424101 /nfs/dbraw/zinc/42/41/01/1089424101.db2.gz BAHGOZAYQOYGER-SNVBAGLBSA-N 0 0 314.407 2.119 10 30 DEEERN C[C@H]1SCCN(S(=O)(=O)c2cc(F)cc(C#N)c2)[C@H]1C ZINC000720037319 1089427960 /nfs/dbraw/zinc/42/79/60/1089427960.db2.gz MCPCYJXZTLZGOF-VHSXEESVSA-N 0 0 314.407 2.212 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000081782072 192322219 /nfs/dbraw/zinc/32/22/19/192322219.db2.gz HBHKKXWIXOFWRO-UHFFFAOYSA-N 0 0 314.292 2.302 10 30 DEEERN C=CCn1c(CC(F)(F)F)nnc1N1CCO[C@H](CCF)C1 ZINC000624826831 365562743 /nfs/dbraw/zinc/56/27/43/365562743.db2.gz CKIWIUXXDLQOQY-SNVBAGLBSA-N 0 0 322.306 2.134 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc(OCCOC)cc1 ZINC000076854173 185047107 /nfs/dbraw/zinc/04/71/07/185047107.db2.gz SFCMFZSGPHZBBU-UHFFFAOYSA-N 0 0 313.419 2.299 10 30 DEEERN COCc1nc2cc(NC(=O)c3cc(C#N)cn3C)ccc2o1 ZINC000081808880 192326469 /nfs/dbraw/zinc/32/64/69/192326469.db2.gz LVLNEJJLLQIMMK-UHFFFAOYSA-N 0 0 310.313 2.437 10 30 DEEERN C=CC[C@H](C)NS(=O)(=O)c1ccc(Br)cc1N ZINC000162476900 197569491 /nfs/dbraw/zinc/56/94/91/197569491.db2.gz JFBJIEGFWRVBEY-QMMMGPOBSA-N 0 0 319.224 2.274 10 30 DEEERN C=C(C)Cn1c(N2CC3(C2)CCCO3)nnc1[C@]1(C)CCCO1 ZINC000624974552 365604266 /nfs/dbraw/zinc/60/42/66/365604266.db2.gz NVPMJWJMHMQCRL-INIZCTEOSA-N 0 0 318.421 2.249 10 30 DEEERN COc1ccccc1N1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181264898 199273609 /nfs/dbraw/zinc/27/36/09/199273609.db2.gz DMIJLURZJPVSCZ-UHFFFAOYSA-N 0 0 324.384 2.294 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1COc2ccc(C)cc21 ZINC000612469801 361837464 /nfs/dbraw/zinc/83/74/64/361837464.db2.gz GHKHOQWYSPSFNY-GJZGRUSLSA-N 0 0 302.374 2.016 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(CCOCC)CCC1 ZINC000612519824 361848927 /nfs/dbraw/zinc/84/89/27/361848927.db2.gz PRSSMHNLVSDFIE-OAHLLOKOSA-N 0 0 310.438 2.170 10 30 DEEERN C[C@@]1(C(=O)NCc2ccc(C#CCCO)cc2)CCCS1 ZINC000164886252 197666065 /nfs/dbraw/zinc/66/60/65/197666065.db2.gz DVRROJTZQZHHSB-KRWDZBQOSA-N 0 0 303.427 2.322 10 30 DEEERN Cc1cc(C)c(C#N)c(NC[C@@H]2CCO[C@H]2c2ccnn2C)n1 ZINC000278756484 214378262 /nfs/dbraw/zinc/37/82/62/214378262.db2.gz NFPULXOBDXGPMA-XJKSGUPXSA-N 0 0 311.389 2.493 10 30 DEEERN Cc1ccc(C#CCCO)cc1C(=O)NCc1cscn1 ZINC000087746361 185231310 /nfs/dbraw/zinc/23/13/10/185231310.db2.gz SRVFHXXTCRTBLR-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN CC[C@H](C)C[C@H](C)NS(=O)(=O)c1ccc(C#CCO)cc1 ZINC000088310851 185245155 /nfs/dbraw/zinc/24/51/55/185245155.db2.gz HQSCAWQKKAIBMZ-KBPBESRZSA-N 0 0 309.431 2.133 10 30 DEEERN Cc1c(C#CCCO)cccc1C(=O)N1CCSC[C@H]1C ZINC000088443527 185250891 /nfs/dbraw/zinc/25/08/91/185250891.db2.gz AZURWHWPWAEWIQ-CYBMUJFWSA-N 0 0 303.427 2.306 10 30 DEEERN CCc1ccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 ZINC000363520810 529649068 /nfs/dbraw/zinc/64/90/68/529649068.db2.gz VPICMKJPAPEBJN-ZDUSSCGKSA-N 0 0 318.446 2.192 10 30 DEEERN C=C(C)CCNS(=O)(=O)C[C@@H](OC)c1ccc(F)cc1 ZINC000625238082 365693960 /nfs/dbraw/zinc/69/39/60/365693960.db2.gz OYLTVGWESSSDEJ-CQSZACIVSA-N 0 0 301.383 2.399 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc2c(C)n[nH]c2c1 ZINC000613201458 362036387 /nfs/dbraw/zinc/03/63/87/362036387.db2.gz MGYDGRHGWJNXFJ-HNNXBMFYSA-N 0 0 300.362 2.281 10 30 DEEERN COc1cccc([C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)c1 ZINC000181351291 199284254 /nfs/dbraw/zinc/28/42/54/199284254.db2.gz MSLCOOUFJWENAC-INIZCTEOSA-N 0 0 311.341 2.109 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC(F)(F)c1ccccc1 ZINC000613886515 362239687 /nfs/dbraw/zinc/23/96/87/362239687.db2.gz HJZNUFMAIFTKGS-AWEZNQCLSA-N 0 0 310.344 2.366 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC(F)(F)c1ccccc1 ZINC000613886516 362239723 /nfs/dbraw/zinc/23/97/23/362239723.db2.gz HJZNUFMAIFTKGS-CQSZACIVSA-N 0 0 310.344 2.366 10 30 DEEERN CCn1cnc(S(=O)(=O)N(CCC#N)c2ccccc2)c1 ZINC000092910083 185348515 /nfs/dbraw/zinc/34/85/15/185348515.db2.gz NXEDGGVJPPYXRG-UHFFFAOYSA-N 0 0 304.375 2.012 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)C[C@@H](Cc2ccccc2)OC)C1 ZINC000625356089 365745495 /nfs/dbraw/zinc/74/54/95/365745495.db2.gz ZUEXXTWXSBVVSU-DLBZAZTESA-N 0 0 323.458 2.472 10 30 DEEERN CN(C1(C#N)CCC1)S(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC000330249568 529820997 /nfs/dbraw/zinc/82/09/97/529820997.db2.gz MRMGLRHGXXOLTB-UHFFFAOYSA-N 0 0 319.361 2.441 10 30 DEEERN C=CCSCCNc1cc(Br)cnc1C(N)=O ZINC000350782729 404467933 /nfs/dbraw/zinc/46/79/33/404467933.db2.gz LAEGIZPGLQPAQL-UHFFFAOYSA-N 0 0 316.224 2.274 10 30 DEEERN CN(Cc1ccc(C(=O)NC2CC2)cc1)c1ccncc1C#N ZINC000614121383 362293260 /nfs/dbraw/zinc/29/32/60/362293260.db2.gz VRNYTTLYNYZYMQ-UHFFFAOYSA-N 0 0 306.369 2.482 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](OCC)c1ccccc1 ZINC000614076405 362276434 /nfs/dbraw/zinc/27/64/34/362276434.db2.gz MIAVFNWXWHKLMW-IRXDYDNUSA-N 0 0 318.417 2.351 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)CC(=C)C ZINC000615216068 362558697 /nfs/dbraw/zinc/55/86/97/362558697.db2.gz QXSBIJKDFFIVCG-ARFHVFGLSA-N 0 0 324.465 2.127 10 30 DEEERN C[C@@H]1C[C@@H](NC(=O)NCCOc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000245564165 282397560 /nfs/dbraw/zinc/39/75/60/282397560.db2.gz DFZNCEWUDXVIBZ-AGGWBTHJSA-N 0 0 317.389 2.192 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000615708974 362685288 /nfs/dbraw/zinc/68/52/88/362685288.db2.gz TUFUEHGEUYUNNZ-IMPIEMTGSA-N 0 0 302.418 2.128 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCC(=O)N1CCc2ccccc21 ZINC000119192564 185704880 /nfs/dbraw/zinc/70/48/80/185704880.db2.gz YSQQPBGLIBRPHV-UHFFFAOYSA-N 0 0 319.364 2.186 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000625678797 365869439 /nfs/dbraw/zinc/86/94/39/365869439.db2.gz YXGSAIFRWUPHHQ-LVQVYYBASA-N 0 0 304.434 2.354 10 30 DEEERN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C#N)CC1 ZINC000170728220 197812530 /nfs/dbraw/zinc/81/25/30/197812530.db2.gz MYWQKXVMVGXZGJ-CYBMUJFWSA-N 0 0 309.410 2.442 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)N2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000277648548 213661771 /nfs/dbraw/zinc/66/17/71/213661771.db2.gz YQCGVQZCKCJGBZ-LBPRGKRZSA-N 0 0 324.302 2.407 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCC2)CC1 ZINC000616337064 362830888 /nfs/dbraw/zinc/83/08/88/362830888.db2.gz ZZXSZPDUOWQKBC-MRXNPFEDSA-N 0 0 308.422 2.017 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000616414160 362850102 /nfs/dbraw/zinc/85/01/02/362850102.db2.gz KFQMGASYNDANEE-ZOBUZTSGSA-N 0 0 304.365 2.211 10 30 DEEERN CC#CCNC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000126671479 185883419 /nfs/dbraw/zinc/88/34/19/185883419.db2.gz UJKZCHZQRMEOKE-SNVBAGLBSA-N 0 0 311.307 2.048 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000126823978 185896399 /nfs/dbraw/zinc/89/63/99/185896399.db2.gz HSWATANGVCFOOR-OAHLLOKOSA-N 0 0 309.373 2.011 10 30 DEEERN CC#CC[C@H](CO)NC(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC000616505002 362876720 /nfs/dbraw/zinc/87/67/20/362876720.db2.gz FAZJVORDTWSTGP-UXLLHSPISA-N 0 0 301.386 2.079 10 30 DEEERN C=C[C@@H](O)C(=O)NC1(c2ccccc2Br)CCC1 ZINC000616510386 362878073 /nfs/dbraw/zinc/87/80/73/362878073.db2.gz PECJYYZIBXDSOW-GFCCVEGCSA-N 0 0 310.191 2.491 10 30 DEEERN CC[C@@H](C)N(CCOC)S(=O)(=O)c1cc(C#N)ccc1C ZINC000070432180 190891987 /nfs/dbraw/zinc/89/19/87/190891987.db2.gz IUUFDMZJHIJIFV-CYBMUJFWSA-N 0 0 310.419 2.302 10 30 DEEERN Cc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(C#N)c2)o1 ZINC000071140466 190935743 /nfs/dbraw/zinc/93/57/43/190935743.db2.gz NQYKJDNOQUJZQZ-UHFFFAOYSA-N 0 0 308.334 2.420 10 30 DEEERN COc1cccc(C(=O)NCc2ccc(C#CCO)s2)c1 ZINC000071322134 190958523 /nfs/dbraw/zinc/95/85/23/190958523.db2.gz NMAQYTLBSLBQPO-UHFFFAOYSA-N 0 0 301.367 2.031 10 30 DEEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000083741705 192380549 /nfs/dbraw/zinc/38/05/49/192380549.db2.gz BUDHJCYJTKOBJH-HNNXBMFYSA-N 0 0 324.388 2.135 10 30 DEEERN Cc1ccc(O)c(C(=O)NCc2sccc2C#CCO)c1 ZINC000148530766 186045037 /nfs/dbraw/zinc/04/50/37/186045037.db2.gz QFOSYCLLOLENRU-UHFFFAOYSA-N 0 0 301.367 2.036 10 30 DEEERN C[C@H]1CN(C)C[C@H](C)N1C(=O)CSc1ccc(C#N)cc1 ZINC000155760087 186110231 /nfs/dbraw/zinc/11/02/31/186110231.db2.gz DRDOBVGQUCEVAG-STQMWFEESA-N 0 0 303.431 2.201 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1nc(COC)no1 ZINC000179692051 186206024 /nfs/dbraw/zinc/20/60/24/186206024.db2.gz UNFBSXFEEPKQCP-UHFFFAOYSA-N 0 0 305.290 2.432 10 30 DEEERN C#C[C@H](C)NC(=O)N[C@@H](CC(=O)OCC)c1ccccc1C ZINC000186058597 186236902 /nfs/dbraw/zinc/23/69/02/186236902.db2.gz HFBVFBNBWYXUTR-ZFWWWQNUSA-N 0 0 302.374 2.310 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000186066128 186237391 /nfs/dbraw/zinc/23/73/91/186237391.db2.gz WAIFYJNTONHYRI-CYBMUJFWSA-N 0 0 321.396 2.276 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(=O)n(CCOC)c1 ZINC000617038476 363006920 /nfs/dbraw/zinc/00/69/20/363006920.db2.gz XPSKHMJCDDWTHQ-ZBFHGGJFSA-N 0 0 318.417 2.359 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1nc(C2CC2)nn1C ZINC000617043792 363007706 /nfs/dbraw/zinc/00/77/06/363007706.db2.gz FABROCUGPBGUEM-GXTWGEPZSA-N 0 0 302.422 2.486 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@@H]2COC(C)(C)C2)c(OC)c1 ZINC000617061799 363014341 /nfs/dbraw/zinc/01/43/41/363014341.db2.gz OBEZJGHDQRZGAK-AWEZNQCLSA-N 0 0 319.401 2.486 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000617265039 363069959 /nfs/dbraw/zinc/06/99/59/363069959.db2.gz VEWGDQBWGBRFKE-AWEZNQCLSA-N 0 0 312.373 2.005 10 30 DEEERN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2cnnn2C)cc1 ZINC000328632068 539909208 /nfs/dbraw/zinc/90/92/08/539909208.db2.gz AEABENATKNQGOU-HIFRSBDPSA-N 0 0 300.362 2.348 10 30 DEEERN Cn1c(CNC(=O)N2CC3(C2)CCCOC3)nc2ccccc21 ZINC000329425249 539919923 /nfs/dbraw/zinc/91/99/23/539919923.db2.gz GRMREUYUYTVSTP-UHFFFAOYSA-N 0 0 314.389 2.100 10 30 DEEERN O=C(CCNC(=O)C1CCCCC1)N1CCc2cncnc2C1 ZINC000329440910 539921127 /nfs/dbraw/zinc/92/11/27/539921127.db2.gz MXAOVRURVHOHOO-UHFFFAOYSA-N 0 0 316.405 2.288 10 30 DEEERN CO[C@](C)(CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)C1CC1 ZINC000329594545 539923740 /nfs/dbraw/zinc/92/37/40/539923740.db2.gz BLSUGFYLOCJXHU-DJIMGWMZSA-N 0 0 310.438 2.343 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2C[C@@H](OC)C2)cc1 ZINC000626307277 366142533 /nfs/dbraw/zinc/14/25/33/366142533.db2.gz UPVAGONISXCMSH-JNSHFYNHSA-N 0 0 317.389 2.149 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CC(=O)Nc2ccccc21 ZINC000015800943 354035605 /nfs/dbraw/zinc/03/56/05/354035605.db2.gz NMRAAAZDNMVPAD-LBPRGKRZSA-N 0 0 321.336 2.311 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCCN(C(=O)C(C)(C)C)CC1 ZINC000066727880 354730649 /nfs/dbraw/zinc/73/06/49/354730649.db2.gz WVUPTVYPXWEKBJ-AWEZNQCLSA-N 0 0 310.438 2.075 10 30 DEEERN Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000068154955 354800306 /nfs/dbraw/zinc/80/03/06/354800306.db2.gz HODVORXMWCKXOR-WCQYABFASA-N 0 0 312.373 2.245 10 30 DEEERN Cn1cc(CNC(=O)c2cn(CCCC#N)c3ccccc23)nn1 ZINC000618224457 363420213 /nfs/dbraw/zinc/42/02/13/363420213.db2.gz RSRANIYDQBXFPH-UHFFFAOYSA-N 0 0 322.372 2.004 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NCc1c(OC)cc(OC)cc1OC ZINC000069356148 354861450 /nfs/dbraw/zinc/86/14/50/354861450.db2.gz MJSRSTOCYWQMHG-LBPRGKRZSA-N 0 0 323.389 2.310 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NCC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000408466860 283057617 /nfs/dbraw/zinc/05/76/17/283057617.db2.gz MRDBAFAFSHFLSZ-QJPTWQEYSA-N 0 0 303.328 2.069 10 30 DEEERN N#C[C@H]1CN(C(=O)c2ccc3c(c2)CCCC3)CCN1C1CC1 ZINC000371002183 283068350 /nfs/dbraw/zinc/06/83/50/283068350.db2.gz YEBPTJMOWALDGA-SFHVURJKSA-N 0 0 309.413 2.378 10 30 DEEERN N#Cc1ccccc1S(=O)(=O)N[C@@H]1C[C@H]1c1cccs1 ZINC000074777553 191359654 /nfs/dbraw/zinc/35/96/54/191359654.db2.gz ROIPBYCPZHVIAN-VXGBXAGGSA-N 0 0 304.396 2.454 10 30 DEEERN CN1c2ccc(CC(=O)Nc3ccc(C#N)cc3)cc2CC1=O ZINC000074961504 191396386 /nfs/dbraw/zinc/39/63/86/191396386.db2.gz SKPFLPIBKGGCCL-UHFFFAOYSA-N 0 0 305.337 2.258 10 30 DEEERN C[C@H]1Oc2ccc(CC(=O)Nc3cccc(C#N)c3)cc2NC1=O ZINC000074966248 191397575 /nfs/dbraw/zinc/39/75/75/191397575.db2.gz BTNCWZASJKEKGE-LLVKDONJSA-N 0 0 321.336 2.459 10 30 DEEERN C#CCNC(=O)c1ccc(NCCc2cc(F)ccc2F)nc1 ZINC000080686812 355380623 /nfs/dbraw/zinc/38/06/23/355380623.db2.gz OQTLIKCOWHFYIE-UHFFFAOYSA-N 0 0 315.323 2.377 10 30 DEEERN C=CCCCCCNC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000141979565 355893092 /nfs/dbraw/zinc/89/30/92/355893092.db2.gz IQPPWCLYQDVWCR-UHFFFAOYSA-N 0 0 310.419 2.071 10 30 DEEERN C[C@H](COS(C)(=O)=O)Nc1ccc2c(C#N)cccc2c1 ZINC000143963042 355901371 /nfs/dbraw/zinc/90/13/71/355901371.db2.gz HJGHDXQJEQKHAN-LLVKDONJSA-N 0 0 304.371 2.488 10 30 DEEERN N#CCN(C1CCCC1)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000080214095 192012731 /nfs/dbraw/zinc/01/27/31/192012731.db2.gz YELTXEJXESJUQJ-UHFFFAOYSA-N 0 0 303.387 2.156 10 30 DEEERN Cc1nc2c(s1)CCC[C@@H]2CNC(=O)NCc1ccnn1C ZINC000328616422 356460928 /nfs/dbraw/zinc/46/09/28/356460928.db2.gz BQLUJYXCHSZSAG-LLVKDONJSA-N 0 0 319.434 2.309 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NC1CCN(c2ccccc2)CC1 ZINC000081521614 192281021 /nfs/dbraw/zinc/28/10/21/192281021.db2.gz RHICNIIKAQNOHR-UHFFFAOYSA-N 0 0 308.385 2.296 10 30 DEEERN COc1ccc2c(c1)N(C(=O)c1cc(C#N)cn1C)C[C@H](C)O2 ZINC000081549001 192289901 /nfs/dbraw/zinc/28/99/01/192289901.db2.gz NEJQOPPDHVONDC-NSHDSACASA-N 0 0 311.341 2.333 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000081591594 192298845 /nfs/dbraw/zinc/29/88/45/192298845.db2.gz JUDPXZHATHTKDJ-UHFFFAOYSA-N 0 0 305.341 2.012 10 30 DEEERN CNc1ncc(S(=O)(=O)Nc2cccc(C#N)c2)cc1Cl ZINC000081680558 192313535 /nfs/dbraw/zinc/31/35/35/192313535.db2.gz YWGAXAHOLBIIOS-UHFFFAOYSA-N 0 0 322.777 2.449 10 30 DEEERN Cc1nc2ccccc2n1CCCNC(=O)c1cc(C#N)cn1C ZINC000081665688 192308978 /nfs/dbraw/zinc/30/89/78/192308978.db2.gz XIZYOGLZWRLSIH-UHFFFAOYSA-N 0 0 321.384 2.375 10 30 DEEERN CCc1c(NC(=O)c2cc(C#N)cn2C)n[nH]c1-c1ccncc1 ZINC000081733515 192317332 /nfs/dbraw/zinc/31/73/32/192317332.db2.gz BZXVTEMGRAWTHD-UHFFFAOYSA-N 0 0 320.356 2.497 10 30 DEEERN C=CCOCCCNC(=O)Cn1ccc2cc(OC)ccc21 ZINC000618521646 363514813 /nfs/dbraw/zinc/51/48/13/363514813.db2.gz YRXCTBQKRXZWJC-UHFFFAOYSA-N 0 0 302.374 2.359 10 30 DEEERN C=CCOCCCNC(=O)[C@H](C)NC(=O)CC1CCCCC1 ZINC000618522391 363515030 /nfs/dbraw/zinc/51/50/30/363515030.db2.gz FUCFGCPGMMDVDE-AWEZNQCLSA-N 0 0 310.438 2.170 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCOCC(=O)OCC ZINC000595646331 358511321 /nfs/dbraw/zinc/51/13/21/358511321.db2.gz LNNADBVCLDDRNH-KGLIPLIRSA-N 0 0 312.410 2.000 10 30 DEEERN N#Cc1cc(Br)ccc1NCC[C@@]1(O)CCOC1 ZINC000404172325 356731842 /nfs/dbraw/zinc/73/18/42/356731842.db2.gz VMMQDTFSJSXHQW-CYBMUJFWSA-N 0 0 311.179 2.274 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)N1C(=O)N[C@@H](c2ccn(C)n2)C1=O ZINC000578338125 356801426 /nfs/dbraw/zinc/80/14/26/356801426.db2.gz NFLXNQZQYPUHBL-HOCLYGCPSA-N 0 0 324.384 2.200 10 30 DEEERN N#Cc1ccnc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1 ZINC000357423558 283224312 /nfs/dbraw/zinc/22/43/12/283224312.db2.gz KWHPABOJKXCMDT-GFCCVEGCSA-N 0 0 310.288 2.157 10 30 DEEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1CCC(C)C ZINC000581217283 357149844 /nfs/dbraw/zinc/14/98/44/357149844.db2.gz CCRKDYUWEBWRDQ-OAHLLOKOSA-N 0 0 318.417 2.267 10 30 DEEERN C=CCn1c(N2CCO[C@@H](CCC)C2)nnc1[C@@]1(C)CCCO1 ZINC000581054062 357122439 /nfs/dbraw/zinc/12/24/39/357122439.db2.gz HCXUVKYJSGQDNB-WMLDXEAASA-N 0 0 320.437 2.495 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCCO[C@H]1c1cc[nH]n1 ZINC000591689480 357751874 /nfs/dbraw/zinc/75/18/74/357751874.db2.gz NTNNXLIHQSVZQW-WMLDXEAASA-N 0 0 324.384 2.488 10 30 DEEERN CC#CCCNC(=O)N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000592010978 357815145 /nfs/dbraw/zinc/81/51/45/357815145.db2.gz QMMMEQQQWMPLNQ-UONOGXRCSA-N 0 0 308.422 2.409 10 30 DEEERN C[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)CC(F)F ZINC000592067817 357823371 /nfs/dbraw/zinc/82/33/71/357823371.db2.gz SUAHOJNBQOKVGJ-QMMMGPOBSA-N 0 0 306.309 2.267 10 30 DEEERN C=CCCS(=O)(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592088258 357827248 /nfs/dbraw/zinc/82/72/48/357827248.db2.gz WQWPFYMCGCCJEG-UHFFFAOYSA-N 0 0 317.451 2.336 10 30 DEEERN CCOC(=O)CC[C@@H](C)NC(=O)/C=C/c1ccccc1C#N ZINC000179467176 199041097 /nfs/dbraw/zinc/04/10/97/199041097.db2.gz XDDIQDVNYTZCOZ-WTNCMQEWSA-N 0 0 300.358 2.419 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593416027 358072803 /nfs/dbraw/zinc/07/28/03/358072803.db2.gz UIWUINZWAHSYPZ-WMUXEFRJSA-N 0 0 318.442 2.089 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000185265777 199832227 /nfs/dbraw/zinc/83/22/27/199832227.db2.gz GWBSKUGUWQJXQB-LBPRGKRZSA-N 0 0 319.405 2.273 10 30 DEEERN C=CCCn1cc(C[S@@](=O)Cc2cc(OC)cc(C)n2)nn1 ZINC000593937715 358175036 /nfs/dbraw/zinc/17/50/36/358175036.db2.gz XPYCYTBYZWPGFF-QFIPXVFZSA-N 0 0 320.418 2.015 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cncc(C(=O)OC(C)(C)C)c1 ZINC000594149225 358214578 /nfs/dbraw/zinc/21/45/78/358214578.db2.gz VUMUXRJYWCWCPY-GFCCVEGCSA-N 0 0 321.377 2.095 10 30 DEEERN C=CCCn1cc(CSCc2cccc(C(=O)OC)n2)nn1 ZINC000594566701 358294860 /nfs/dbraw/zinc/29/48/60/358294860.db2.gz KDAIDNDZVUWPPI-UHFFFAOYSA-N 0 0 318.402 2.469 10 30 DEEERN C=CCCn1cc(CSCC(=O)NC(C2CC2)C2CC2)nn1 ZINC000594566019 358294887 /nfs/dbraw/zinc/29/48/87/358294887.db2.gz UQBIMAQOTXNYCT-UHFFFAOYSA-N 0 0 320.462 2.392 10 30 DEEERN C=CCCn1cc(CSCC(=O)NCc2cccs2)nn1 ZINC000594564531 358295142 /nfs/dbraw/zinc/29/51/42/358295142.db2.gz YRJQBXWVWUJZAJ-UHFFFAOYSA-N 0 0 322.459 2.465 10 30 DEEERN C=CCCSCCN1C(=O)N[C@H](CC2(OC)CCC2)C1=O ZINC000594739425 358330344 /nfs/dbraw/zinc/33/03/44/358330344.db2.gz QVUKWQIWSSCOQP-GFCCVEGCSA-N 0 0 312.435 2.175 10 30 DEEERN C=CCOCCCNS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000594850294 358348588 /nfs/dbraw/zinc/34/85/88/358348588.db2.gz NOXMDXBALRUMNS-UHFFFAOYSA-N 0 0 314.794 2.083 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1cc(C)c(C(=O)OC)o1 ZINC000595343371 358426744 /nfs/dbraw/zinc/42/67/44/358426744.db2.gz YJHQIDVOBXSHIC-UHFFFAOYSA-N 0 0 315.391 2.399 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000596776535 358759104 /nfs/dbraw/zinc/75/91/04/358759104.db2.gz LIIISMOINRWUES-AWEZNQCLSA-N 0 0 319.361 2.024 10 30 DEEERN C[C@]1(C#N)CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000596530952 358707590 /nfs/dbraw/zinc/70/75/90/358707590.db2.gz HOLFWDCFLGNSRQ-LLVKDONJSA-N 0 0 311.139 2.492 10 30 DEEERN C=CCOCCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000596624649 358726677 /nfs/dbraw/zinc/72/66/77/358726677.db2.gz JVVIHAPZBXGPEW-UHFFFAOYSA-N 0 0 309.322 2.318 10 30 DEEERN C=CCN(C(=O)NCc1ccc(CC#N)cc1)[C@@H](C)COC ZINC000596640765 358730920 /nfs/dbraw/zinc/73/09/20/358730920.db2.gz IBDAUQJNAIGOFR-AWEZNQCLSA-N 0 0 301.390 2.485 10 30 DEEERN C=CCCSCCNC(=O)Nc1ccc2c(n1)OCCO2 ZINC000597037392 358810240 /nfs/dbraw/zinc/81/02/40/358810240.db2.gz BPZVXMKNGPVHBY-UHFFFAOYSA-N 0 0 309.391 2.284 10 30 DEEERN C=CCN(CCC#N)C(=O)Nc1cccc2c1CCN(C)C2=O ZINC000597061550 358814947 /nfs/dbraw/zinc/81/49/47/358814947.db2.gz OLNQXWFLWYNBBM-UHFFFAOYSA-N 0 0 312.373 2.248 10 30 DEEERN C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC(CC#N)C1 ZINC000598033075 359070542 /nfs/dbraw/zinc/07/05/42/359070542.db2.gz APOJYVDASDFGES-UHFFFAOYSA-N 0 0 322.368 2.423 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000185808156 199890450 /nfs/dbraw/zinc/89/04/50/199890450.db2.gz WGQFCMQKSJENJD-VXGBXAGGSA-N 0 0 304.173 2.080 10 30 DEEERN C=CCC1(NC(=O)c2cc(C(=O)OC)oc2C)CCOCC1 ZINC000598178051 359114254 /nfs/dbraw/zinc/11/42/54/359114254.db2.gz OAGBCEGARFKSJH-UHFFFAOYSA-N 0 0 307.346 2.230 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 ZINC000185847958 199895566 /nfs/dbraw/zinc/89/55/66/199895566.db2.gz MXLCTODPINBUGR-ZDUSSCGKSA-N 0 0 322.380 2.477 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(Br)c(F)c1 ZINC000185911366 199902768 /nfs/dbraw/zinc/90/27/68/199902768.db2.gz HCZDOHATTBDXNX-SECBINFHSA-N 0 0 302.143 2.255 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N(C)CCN1C(=O)c2ccccc2C1=O ZINC000185937600 199906497 /nfs/dbraw/zinc/90/64/97/199906497.db2.gz OJZWEAJCIDGHTE-CYBMUJFWSA-N 0 0 314.385 2.343 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000618936255 363644036 /nfs/dbraw/zinc/64/40/36/363644036.db2.gz JAKMOYHULVVZBM-BMFZPTHFSA-N 0 0 305.422 2.229 10 30 DEEERN CC(=O)CCC(=O)NC1(c2cccc(C#N)c2)CCOCC1 ZINC000618952568 363648524 /nfs/dbraw/zinc/64/85/24/363648524.db2.gz NLLRWJFHWCTLEX-UHFFFAOYSA-N 0 0 300.358 2.049 10 30 DEEERN Cc1noc([C@H]2CN(c3ncc(C#N)cc3Cl)C[C@@H](C)O2)n1 ZINC000599153666 359417613 /nfs/dbraw/zinc/41/76/13/359417613.db2.gz HSTCXXGCTQHYPX-PRHODGIISA-N 0 0 319.752 2.265 10 30 DEEERN C=CCCn1cc(CN2[C@@H](C)CC(C(=O)OC)C[C@@H]2C)nn1 ZINC000599689368 359573146 /nfs/dbraw/zinc/57/31/46/359573146.db2.gz DXJPJKDOMQUGFZ-STQMWFEESA-N 0 0 306.410 2.016 10 30 DEEERN C=CCN(CCC#N)C(=O)c1cc(C)n(C2CCOCC2)n1 ZINC000599962241 359626739 /nfs/dbraw/zinc/62/67/39/359626739.db2.gz MZYYPHDPSIFXIQ-UHFFFAOYSA-N 0 0 302.378 2.085 10 30 DEEERN C=C(COc1nc(Cc2ccc(F)cc2)no1)C(=O)OCC ZINC000187688809 200145225 /nfs/dbraw/zinc/14/52/25/200145225.db2.gz XOXLVDSCNRQEJU-UHFFFAOYSA-N 0 0 306.293 2.298 10 30 DEEERN C#CCOc1ccccc1NC(=O)C(=O)N1CCCC1(C)C ZINC000187938173 200180009 /nfs/dbraw/zinc/18/00/09/200180009.db2.gz ANZAFUWCWUBLHC-UHFFFAOYSA-N 0 0 300.358 2.038 10 30 DEEERN C=CC[C@H](C(=O)N1CC[C@@](OC)(C(=O)OC)C1)c1ccccc1 ZINC000600294272 359714316 /nfs/dbraw/zinc/71/43/16/359714316.db2.gz MJAJYRUHJSWLJU-YJBOKZPZSA-N 0 0 317.385 2.137 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C(=O)OC)C1CCCCC1 ZINC000600412647 359737111 /nfs/dbraw/zinc/73/71/11/359737111.db2.gz UENCGRFPZXVQLN-ILXRZTDVSA-N 0 0 309.406 2.063 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN[C@@H](Cc1ccc(F)cc1)C(=O)OCC ZINC000600591655 359776644 /nfs/dbraw/zinc/77/66/44/359776644.db2.gz FKUZXKZJWHCZCN-XIRDDKMYSA-N 0 0 321.392 2.481 10 30 DEEERN CC(=O)N1CCCc2cc(NC[C@H](O)CC3(C#N)CC3)ccc21 ZINC000600744648 359818742 /nfs/dbraw/zinc/81/87/42/359818742.db2.gz YUUMIWVDLXVODU-MRXNPFEDSA-N 0 0 313.401 2.452 10 30 DEEERN C=CCCSCCN1C(=O)[C@H]2c3ccoc3CCN2C1=O ZINC000600699337 359802793 /nfs/dbraw/zinc/80/27/93/359802793.db2.gz IAZPLGSITUWIHX-CYBMUJFWSA-N 0 0 306.387 2.450 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1cn[nH]c1 ZINC000600816226 359835751 /nfs/dbraw/zinc/83/57/51/359835751.db2.gz GORJHJZBSCGOJZ-UHFFFAOYSA-N 0 0 314.345 2.465 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000188449016 200248234 /nfs/dbraw/zinc/24/82/34/200248234.db2.gz ORAYQMWJFYGVKU-GUYCJALGSA-N 0 0 320.437 2.061 10 30 DEEERN C=CCCn1cc(C[S@@](=O)Cc2ccc(C)c(C#N)c2)nn1 ZINC000600916509 359860509 /nfs/dbraw/zinc/86/05/09/359860509.db2.gz RJJVGXWXDCZFRC-QFIPXVFZSA-N 0 0 314.414 2.483 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2ccc(C(=O)OC)c(C)c2)C1=O ZINC000600949156 359867750 /nfs/dbraw/zinc/86/77/50/359867750.db2.gz ZYIQZOVPOGTCQE-CYBMUJFWSA-N 0 0 302.330 2.173 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc(COC)c1 ZINC000627688220 366592736 /nfs/dbraw/zinc/59/27/36/366592736.db2.gz UWIPNDLODQHNJS-UHFFFAOYSA-N 0 0 304.390 2.490 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccccc1N(C)C ZINC000627688740 366592746 /nfs/dbraw/zinc/59/27/46/366592746.db2.gz VKMGRVSHGBSRLX-UHFFFAOYSA-N 0 0 303.406 2.410 10 30 DEEERN C=CCCC(C)(C)CN1C(=O)[C@H]2C[C@@H](C(=O)OC)CCN2C1=O ZINC000601069331 359911330 /nfs/dbraw/zinc/91/13/30/359911330.db2.gz CKQFURYVGYQSCN-QWHCGFSZSA-N 0 0 322.405 2.195 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2CCOC)C1 ZINC000627734098 366603226 /nfs/dbraw/zinc/60/32/26/366603226.db2.gz KTORBLBPRNWHNV-CQSZACIVSA-N 0 0 316.401 2.239 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2nc(CC)c(C)s2)C1 ZINC000627733120 366603415 /nfs/dbraw/zinc/60/34/15/366603415.db2.gz LVBVXEDHKMZSPE-NSHDSACASA-N 0 0 307.419 2.377 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(OC)c2C)C1 ZINC000627733433 366603536 /nfs/dbraw/zinc/60/35/36/366603536.db2.gz UVYOQABMMKSOLP-CYBMUJFWSA-N 0 0 302.374 2.367 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2OC)C1 ZINC000627736316 366604316 /nfs/dbraw/zinc/60/43/16/366604316.db2.gz UJAFNHPFUVOZIJ-NSHDSACASA-N 0 0 306.337 2.197 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC000627830745 366635715 /nfs/dbraw/zinc/63/57/15/366635715.db2.gz LARARMUCAPFXJP-YDHLFZDLSA-N 0 0 305.349 2.084 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601171405 359951648 /nfs/dbraw/zinc/95/16/48/359951648.db2.gz LCMJGEVYWZVJCI-SFYZADRCSA-N 0 0 320.271 2.493 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cc1ccc(OCC)cc1)C(=O)OC ZINC000601770138 360139237 /nfs/dbraw/zinc/13/92/37/360139237.db2.gz AHRKOMKCKDCWRW-HNNXBMFYSA-N 0 0 305.374 2.252 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cc1ccc(OC)c(F)c1)C(=O)OC ZINC000601771036 360140434 /nfs/dbraw/zinc/14/04/34/360140434.db2.gz HFYPUEDZTQGQSW-ZDUSSCGKSA-N 0 0 309.337 2.001 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1nnc(C(C)(C)C)s1)C(=O)OC ZINC000601780415 360144415 /nfs/dbraw/zinc/14/44/15/360144415.db2.gz BXYYMYSXUQXNHL-VIFPVBQESA-N 0 0 311.407 2.073 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(OC(C)C)cn1)C(=O)OC ZINC000601780346 360144810 /nfs/dbraw/zinc/14/48/10/360144810.db2.gz BHGABFWYILIPFK-CQSZACIVSA-N 0 0 306.362 2.106 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H]1CCc2cccc(O)c21)C(=O)OC ZINC000601782017 360146638 /nfs/dbraw/zinc/14/66/38/360146638.db2.gz NHRLRBHJVAVEHS-STQMWFEESA-N 0 0 303.358 2.046 10 30 DEEERN C=C(C)C[C@H](NC(=O)COc1ccc(OC)c(C)c1)C(=O)OC ZINC000601782442 360146805 /nfs/dbraw/zinc/14/68/05/360146805.db2.gz POCJQPOSKQIZRE-AWEZNQCLSA-N 0 0 321.373 2.006 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(C)n(C(C)(C)C)n1)C(=O)OC ZINC000601784817 360148035 /nfs/dbraw/zinc/14/80/35/360148035.db2.gz HGJSTIBCPBSHRY-ZDUSSCGKSA-N 0 0 307.394 2.184 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H]1CCCc2c(O)cccc21)C(=O)OC ZINC000601786774 360149434 /nfs/dbraw/zinc/14/94/34/360149434.db2.gz IVDGOULHUZPVDN-LSDHHAIUSA-N 0 0 317.385 2.436 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc2nc(C)ccc2o1)C(=O)OC ZINC000601786986 360149440 /nfs/dbraw/zinc/14/94/40/360149440.db2.gz VWABNONZNRXVPF-LBPRGKRZSA-N 0 0 302.330 2.374 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCC(=O)c1cccc(F)c1)C(=O)OC ZINC000601787701 360150445 /nfs/dbraw/zinc/15/04/45/360150445.db2.gz NDPFOAFPLPVPMK-CQSZACIVSA-N 0 0 321.348 2.413 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(=O)[nH]c(C(C)C)c1)C(=O)OC ZINC000601788038 360150479 /nfs/dbraw/zinc/15/04/79/360150479.db2.gz OUOKAOSDXOKWIQ-ZDUSSCGKSA-N 0 0 306.362 2.148 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000189333759 200383575 /nfs/dbraw/zinc/38/35/75/200383575.db2.gz ZTTGRBAGHSERSY-WBMJQRKESA-N 0 0 306.410 2.020 10 30 DEEERN C=CCCOCC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000601838441 360170369 /nfs/dbraw/zinc/17/03/69/360170369.db2.gz PDJUQWVTZQMRNZ-LSDHHAIUSA-N 0 0 303.358 2.494 10 30 DEEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC000601871270 360179331 /nfs/dbraw/zinc/17/93/31/360179331.db2.gz NIPRNNTWWZDZDA-JSGCOSHPSA-N 0 0 311.393 2.373 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000602060190 360252301 /nfs/dbraw/zinc/25/23/01/360252301.db2.gz UZZQARUZJSBMDW-UHFFFAOYSA-N 0 0 300.362 2.000 10 30 DEEERN C=C(C)C[C@H](NCc1ccc(O[C@H]2CCOC2)cc1)C(=O)OC ZINC000602739702 360530095 /nfs/dbraw/zinc/53/00/95/360530095.db2.gz SLSMZBJAHSGDHD-IRXDYDNUSA-N 0 0 319.401 2.452 10 30 DEEERN Cc1nc(C)c(CCC(=O)NCC2CCC(C#N)CC2)c(=O)[nH]1 ZINC000441143159 238007847 /nfs/dbraw/zinc/00/78/47/238007847.db2.gz DMUGFLALTGSOPE-UHFFFAOYSA-N 0 0 316.405 2.178 10 30 DEEERN C=C(C)[C@H](CO)N[C@H](Cc1cccc(Cl)c1)C(=O)OCC ZINC000602937231 360634404 /nfs/dbraw/zinc/63/44/04/360634404.db2.gz IFYMJUIWBRFAQP-CABCVRRESA-N 0 0 311.809 2.341 10 30 DEEERN C[C@H]1C[C@H](C)CN(S(=O)(=O)NCC2CCC(C#N)CC2)C1 ZINC000443220260 238109475 /nfs/dbraw/zinc/10/94/75/238109475.db2.gz FGALNIKSZOFQKG-HESLUPGFSA-N 0 0 313.467 2.129 10 30 DEEERN C=C[C@H](C(=O)OC)n1cc(-c2ccc(OC(C)C)nc2)nn1 ZINC000603237478 360760149 /nfs/dbraw/zinc/76/01/49/360760149.db2.gz SQHMVXMHUVJSPE-CYBMUJFWSA-N 0 0 302.334 2.027 10 30 DEEERN CN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)C1(C#N)CCC1 ZINC000604465556 360908037 /nfs/dbraw/zinc/90/80/37/360908037.db2.gz HWVDCPSIZICVEI-UHFFFAOYSA-N 0 0 315.373 2.036 10 30 DEEERN C=CCCOCC(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000604955886 360945715 /nfs/dbraw/zinc/94/57/15/360945715.db2.gz SFEFKVVAFUNAQF-HNNXBMFYSA-N 0 0 318.417 2.373 10 30 DEEERN C=C(C)[C@@H](CC(=O)N[C@H](C(=O)OC)c1cccc(O)c1)OCC ZINC000271905330 209311407 /nfs/dbraw/zinc/31/14/07/209311407.db2.gz KXFMNLCJPDZIFV-ZBFHGGJFSA-N 0 0 321.373 2.094 10 30 DEEERN N#Cc1cc(Cl)ccc1NCCCN1CCCS1(=O)=O ZINC000609149934 361284237 /nfs/dbraw/zinc/28/42/37/361284237.db2.gz RGVXPIGQIBHGPK-UHFFFAOYSA-N 0 0 313.810 2.049 10 30 DEEERN N#Cc1ccc(CNC(=O)NCCCCn2ccnc2)c(F)c1 ZINC000609240032 361291495 /nfs/dbraw/zinc/29/14/95/361291495.db2.gz KYFUTJQKHRQYRG-UHFFFAOYSA-N 0 0 315.352 2.173 10 30 DEEERN Cn1cc(-c2nc(CN(CCC#N)CCC#N)cs2)cn1 ZINC000610078643 361357185 /nfs/dbraw/zinc/35/71/85/361357185.db2.gz FSLOPGBHGHCCTE-UHFFFAOYSA-N 0 0 300.391 2.173 10 30 DEEERN C=CC(C)(C)CCNC(=O)CCS(=O)(=O)C1CCCC1 ZINC000628317365 366807637 /nfs/dbraw/zinc/80/76/37/366807637.db2.gz GZOLRDPQLODVGQ-UHFFFAOYSA-N 0 0 301.452 2.452 10 30 DEEERN C=CC(C)(C)CCNC(=O)CNC(=O)NCc1ccc(F)cc1 ZINC000628317883 366808026 /nfs/dbraw/zinc/80/80/26/366808026.db2.gz DHQPWTNMWFOURJ-UHFFFAOYSA-N 0 0 321.396 2.343 10 30 DEEERN COC(CCCC(C)(C)CNC(=O)c1ccnc(C#N)c1)OC ZINC000193881868 201136853 /nfs/dbraw/zinc/13/68/53/201136853.db2.gz UAFGUTIZZYUFON-UHFFFAOYSA-N 0 0 319.405 2.498 10 30 DEEERN COc1cc(CCNC(=O)Cc2cccc(C#N)c2)ccc1O ZINC000610528471 361417013 /nfs/dbraw/zinc/41/70/13/361417013.db2.gz KAWGLRGHRGUXSO-UHFFFAOYSA-N 0 0 310.353 2.174 10 30 DEEERN N#Cc1ccc(CNC(=O)N[C@H]2CCCc3c[nH]nc32)c(F)c1 ZINC000610847843 361476942 /nfs/dbraw/zinc/47/69/42/361476942.db2.gz YILOAEBTXUUDDJ-AWEZNQCLSA-N 0 0 313.336 2.297 10 30 DEEERN N#Cc1cccc(CNC(=O)CSC[C@H]2CCCOC2)c1 ZINC000610897872 361488683 /nfs/dbraw/zinc/48/86/83/361488683.db2.gz FMYSEEXOVXNKGA-HNNXBMFYSA-N 0 0 304.415 2.334 10 30 DEEERN C=CCOCCCC(=O)NCc1c(C(F)(F)F)cnn1C ZINC000628356659 366826552 /nfs/dbraw/zinc/82/65/52/366826552.db2.gz RUKYVHWYOQCKOS-UHFFFAOYSA-N 0 0 305.300 2.038 10 30 DEEERN C[C@@H](O)[C@@](C)(CNC(=O)c1ccnc(C#N)c1)Cc1ccccc1 ZINC000194346130 201208183 /nfs/dbraw/zinc/20/81/83/201208183.db2.gz GXDZTTDGNOFNEH-AUUYWEPGSA-N 0 0 323.396 2.313 10 30 DEEERN CC(C)C[C@@H](C#N)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000611544266 361626818 /nfs/dbraw/zinc/62/68/18/361626818.db2.gz GAOXEPBHWZHPBX-BLLLJJGKSA-N 0 0 307.394 2.303 10 30 DEEERN C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)[C@H]1CCCOC1 ZINC000611545702 361627362 /nfs/dbraw/zinc/62/73/62/361627362.db2.gz LVUBEMWDFJZMCS-RISCZKNCSA-N 0 0 305.353 2.312 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H](C)C1(OC)CCC1 ZINC000611978917 361717813 /nfs/dbraw/zinc/71/78/13/361717813.db2.gz QMTNOQIPLKWUJQ-RRFJBIMHSA-N 0 0 322.449 2.311 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCC1(O)CCC1 ZINC000611992355 361720740 /nfs/dbraw/zinc/72/07/40/361720740.db2.gz UNTDMQSIXIGOHV-GJZGRUSLSA-N 0 0 322.449 2.049 10 30 DEEERN CO[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000611958381 361712587 /nfs/dbraw/zinc/71/25/87/361712587.db2.gz RLIPZFLIXBKCCY-SUMWQHHRSA-N 0 0 324.421 2.276 10 30 DEEERN C[C@@H](C(=O)N1CCCCc2sccc21)n1cnc(C#N)n1 ZINC000619600189 363837407 /nfs/dbraw/zinc/83/74/07/363837407.db2.gz TUCYLTLODFTUPH-JTQLQIEISA-N 0 0 301.375 2.142 10 30 DEEERN C=C[C@H](CC(=O)NCC1(S(=O)(=O)CC)CC1)c1ccccc1 ZINC000620050484 363943749 /nfs/dbraw/zinc/94/37/49/363943749.db2.gz GZCLFCXQQZBDSC-CQSZACIVSA-N 0 0 321.442 2.430 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ccc([C@H]2CC(=O)NC(=O)N2)cc1 ZINC000620123890 363962299 /nfs/dbraw/zinc/96/22/99/363962299.db2.gz XIYFPQAABYKOQP-SMDDNHRTSA-N 0 0 315.373 2.498 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nn(C)c1-n1cccn1 ZINC000620303936 364012913 /nfs/dbraw/zinc/01/29/13/364012913.db2.gz KIRVRUXNXUYOCF-OKILXGFUSA-N 0 0 311.389 2.237 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000620314381 364013811 /nfs/dbraw/zinc/01/38/11/364013811.db2.gz CRQQTIJZYZMRSN-KXNHARMFSA-N 0 0 316.323 2.153 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000620809134 364166382 /nfs/dbraw/zinc/16/63/82/364166382.db2.gz LLYAXIYHOHWLLI-QCNOEVLYSA-N 0 0 307.312 2.146 10 30 DEEERN C=C[C@](C)(O)C(=O)Nc1nc2cc(OC)c(OC)cc2s1 ZINC000621360270 364369245 /nfs/dbraw/zinc/36/92/45/364369245.db2.gz ODRLJVKPZLLZSH-AWEZNQCLSA-N 0 0 308.359 2.189 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Cc2ccccc2S(C)(=O)=O)C1 ZINC000628492616 366866904 /nfs/dbraw/zinc/86/69/04/366866904.db2.gz YEUYWYKHSZYXPE-CYBMUJFWSA-N 0 0 307.415 2.057 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2nn(CC)c3ccccc3c2=O)C1 ZINC000628487988 366865145 /nfs/dbraw/zinc/86/51/45/366865145.db2.gz PJRVUPBSGXBPRT-CYBMUJFWSA-N 0 0 311.385 2.455 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2ccc(OC)c(S(C)(=O)=O)c2)C1 ZINC000628493063 366866824 /nfs/dbraw/zinc/86/68/24/366866824.db2.gz IQZTZJVHGVGHPW-LBPRGKRZSA-N 0 0 323.414 2.137 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1cc(O)cc(C(F)(F)F)c1 ZINC000622095613 364661310 /nfs/dbraw/zinc/66/13/10/364661310.db2.gz VJXFIBRWMJSFJH-LLVKDONJSA-N 0 0 303.280 2.468 10 30 DEEERN C=CCOCCCNC(=O)c1ccnn1CCc1ccccc1 ZINC000622171833 364688855 /nfs/dbraw/zinc/68/88/55/364688855.db2.gz VLGVQOUBLMPZGM-UHFFFAOYSA-N 0 0 313.401 2.448 10 30 DEEERN C=C(C)[C@@H](CC(=O)N[C@H]1c2ccccc2CN(C)C1=O)OCC ZINC000623270483 364958926 /nfs/dbraw/zinc/95/89/26/364958926.db2.gz HJHCXIOUAGYEFY-WBVHZDCISA-N 0 0 316.401 2.187 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCCc2cccc(C(=O)NC)c2)C1 ZINC000623649563 365116739 /nfs/dbraw/zinc/11/67/39/365116739.db2.gz AJHPAWJBMOKGCY-HNNXBMFYSA-N 0 0 315.417 2.196 10 30 DEEERN C=CCOCCNC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000623871193 365206032 /nfs/dbraw/zinc/20/60/32/365206032.db2.gz XLUWMHGRORURSO-NWANDNLSSA-N 0 0 306.793 2.480 10 30 DEEERN Cc1c(Cl)c(CN2CCNC[C@@H]2C#N)nc2ccccc12 ZINC000091748833 193101474 /nfs/dbraw/zinc/10/14/74/193101474.db2.gz WYALZVFBVQWPMN-LBPRGKRZSA-N 0 0 300.793 2.494 10 30 DEEERN C[C@H]1C[C@H]1CNC(=O)COc1cccc(Br)c1C#N ZINC000449597136 240743356 /nfs/dbraw/zinc/74/33/56/240743356.db2.gz DCAJORBYCYPUHJ-UWVGGRQHSA-N 0 0 323.190 2.472 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC(N2CCCNC2=O)CC1 ZINC000624464607 365429759 /nfs/dbraw/zinc/42/97/59/365429759.db2.gz HXTAFIKWPWZWFQ-UHFFFAOYSA-N 0 0 322.453 2.178 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000629435306 367198752 /nfs/dbraw/zinc/19/87/52/367198752.db2.gz JXTLBNXTIVXERY-WBVHZDCISA-N 0 0 317.433 2.001 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cccc(N3CCCC3=O)c2)C1=O ZINC000630505170 367694836 /nfs/dbraw/zinc/69/48/36/367694836.db2.gz HTVOIJHNXVGXEB-CQSZACIVSA-N 0 0 313.357 2.204 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(c2ccn(C3CCSCC3)n2)C1=O ZINC000630536700 367711703 /nfs/dbraw/zinc/71/17/03/367711703.db2.gz RSUDWBKHWHCINT-LBPRGKRZSA-N 0 0 320.418 2.342 10 30 DEEERN C=C1CC(C)(C(=O)Nc2nc(C)c(SCC(N)=O)s2)C1 ZINC000630690604 367795785 /nfs/dbraw/zinc/79/57/85/367795785.db2.gz FJYWQVSSVYMNFI-UHFFFAOYSA-N 0 0 311.432 2.324 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCCn2cnc3ccccc32)C1=O ZINC000630966358 367940258 /nfs/dbraw/zinc/94/02/58/367940258.db2.gz WYHSIGNDQGYSMZ-AWEZNQCLSA-N 0 0 312.373 2.313 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H](CC)c2c(C)nn(C)c2C)C1=O ZINC000630976056 367946408 /nfs/dbraw/zinc/94/64/08/367946408.db2.gz OCPGESUQODITFP-OLZOCXBDSA-N 0 0 304.394 2.375 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H](CCCO)c2ccccc2)C1=O ZINC000630980846 367948785 /nfs/dbraw/zinc/94/87/85/367948785.db2.gz DJFCVMZCASTJPU-GJZGRUSLSA-N 0 0 302.374 2.387 10 30 DEEERN C=C(CN1C(=O)N2C[C@@H](OC)C[C@]2(C)C1=O)c1ccccc1 ZINC000630982530 367949739 /nfs/dbraw/zinc/94/97/39/367949739.db2.gz NSWDWTYFQXGOFF-WMLDXEAASA-N 0 0 300.358 2.141 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2CCO[C@@H](c3cccnc3)C2)C1=O ZINC000630984153 367950539 /nfs/dbraw/zinc/95/05/39/367950539.db2.gz TVIDXLVVFJWFJU-QLFBSQMISA-N 0 0 315.373 2.188 10 30 DEEERN CC(=O)c1cccc(C#N)c1OCC(=O)N(C)CC(F)(F)F ZINC000631027732 367976221 /nfs/dbraw/zinc/97/62/21/367976221.db2.gz FBDXMJFQRAKERV-UHFFFAOYSA-N 0 0 314.263 2.160 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000631490928 368252366 /nfs/dbraw/zinc/25/23/66/368252366.db2.gz VFCDFLYLVBQQNA-WCQYABFASA-N 0 0 312.291 2.368 10 30 DEEERN C=C1CC(C)(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000632010410 368490088 /nfs/dbraw/zinc/49/00/88/368490088.db2.gz WJYBVQWFRLWKME-JTQLQIEISA-N 0 0 304.312 2.012 10 30 DEEERN CCC[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)OC ZINC000452296255 244120375 /nfs/dbraw/zinc/12/03/75/244120375.db2.gz JKNYJNIKXZVVMZ-MLGOLLRUSA-N 0 0 312.410 2.179 10 30 DEEERN CC(C)(CNc1cc(C#N)c2ccccc2n1)S(C)(=O)=O ZINC000093524121 193263963 /nfs/dbraw/zinc/26/39/63/193263963.db2.gz PTZNEYGGDLGOFU-UHFFFAOYSA-N 0 0 303.387 2.342 10 30 DEEERN Cc1cc(C(=O)N(C)c2cccnc2)sc1C#CCCO ZINC000094535517 193377140 /nfs/dbraw/zinc/37/71/40/193377140.db2.gz PHGGFMZKZHQIQP-UHFFFAOYSA-N 0 0 300.383 2.462 10 30 DEEERN Cc1cc(C(=O)NCc2cnc(C)s2)sc1C#CCO ZINC000094534596 193377355 /nfs/dbraw/zinc/37/73/55/193377355.db2.gz SBVJZSYVUYSYCM-UHFFFAOYSA-N 0 0 306.412 2.095 10 30 DEEERN Cc1cc(C(=O)NCc2cscn2)sc1C#CCCO ZINC000094535437 193377600 /nfs/dbraw/zinc/37/76/00/193377600.db2.gz UFMNZPIXNQFFJW-UHFFFAOYSA-N 0 0 306.412 2.177 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)c1cc(C)c(C#CCCO)s1 ZINC000094534738 193377702 /nfs/dbraw/zinc/37/77/02/193377702.db2.gz UXRSPVKFHYZUIP-GFCCVEGCSA-N 0 0 304.415 2.412 10 30 DEEERN N#Cc1cccc(NC(=O)C[S@@](=O)c2cccc(F)c2)c1 ZINC000094627054 193385246 /nfs/dbraw/zinc/38/52/46/193385246.db2.gz FSUXCALFVCURKM-NRFANRHFSA-N 0 0 302.330 2.444 10 30 DEEERN Cc1ccsc1CNC(=O)c1cncc(C#CCCO)c1 ZINC000094883451 193405280 /nfs/dbraw/zinc/40/52/80/193405280.db2.gz PVQRSJTTWGJPQF-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN CN1C(=O)CCC[C@@]12CCCN(C(=O)c1cccc(C#N)c1)C2 ZINC000096229682 193592889 /nfs/dbraw/zinc/59/28/89/193592889.db2.gz RDOGTGJBZPXIIT-SFHVURJKSA-N 0 0 311.385 2.175 10 30 DEEERN CNC(=O)c1ccccc1C#CCNC(=O)c1cc(C)cc(C)c1 ZINC000096348573 193614858 /nfs/dbraw/zinc/61/48/58/193614858.db2.gz NEXYKGZMHNPYNJ-UHFFFAOYSA-N 0 0 320.392 2.445 10 30 DEEERN NC(=O)c1ccc(C#CCNC(=O)c2ccc(Cl)s2)cc1 ZINC000096348169 193615195 /nfs/dbraw/zinc/61/51/95/193615195.db2.gz AKIVCDSGLXAJJF-UHFFFAOYSA-N 0 0 318.785 2.282 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000453693258 245259115 /nfs/dbraw/zinc/25/91/15/245259115.db2.gz JCBVULWRHKRURM-UHFFFAOYSA-N 0 0 300.358 2.179 10 30 DEEERN C=CC(C)(C)CNC(=O)C(=O)Nc1cccc(N(C)C)c1C ZINC000453883186 245339442 /nfs/dbraw/zinc/33/94/42/245339442.db2.gz ULPKPEMCVDEQEY-UHFFFAOYSA-N 0 0 303.406 2.328 10 30 DEEERN C=CCN(CCN1C(=O)c2ccccc2C1=O)CC(F)(F)F ZINC000264842494 204201235 /nfs/dbraw/zinc/20/12/35/204201235.db2.gz IXSIGLQOHPVMCV-UHFFFAOYSA-N 0 0 312.291 2.333 10 30 DEEERN Cn1cc([C@@H]2CN(c3ccc(C#N)c(Cl)c3)C[C@H]2CO)cn1 ZINC000277770086 213754169 /nfs/dbraw/zinc/75/41/69/213754169.db2.gz DSNLFMFHLGSVPD-ZFWWWQNUSA-N 0 0 316.792 2.157 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCC([C@@H](C)O)CC2)cc1OC ZINC000265429357 204606519 /nfs/dbraw/zinc/60/65/19/204606519.db2.gz FYYWUUYVCBGDAS-CYBMUJFWSA-N 0 0 319.401 2.493 10 30 DEEERN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000135084424 335019383 /nfs/dbraw/zinc/01/93/83/335019383.db2.gz SQVYNNMONOBJJH-GUYCJALGSA-N 0 0 317.437 2.206 10 30 DEEERN Cc1ccc(C(=O)NCc2nccs2)c(C#CCCO)c1 ZINC000161285295 197481851 /nfs/dbraw/zinc/48/18/51/197481851.db2.gz GTXZAAANVHPRTL-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000160837488 197442527 /nfs/dbraw/zinc/44/25/27/197442527.db2.gz GQTXMAFJBVCWQB-UHFFFAOYSA-N 0 0 304.313 2.095 10 30 DEEERN CN(C[C@H]1CCCO1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160780982 197438159 /nfs/dbraw/zinc/43/81/59/197438159.db2.gz LFNMSIYERFDVBM-LLVKDONJSA-N 0 0 314.794 2.011 10 30 DEEERN CN(CCC#N)CC(=O)Nc1c(N)cc(Cl)cc1Cl ZINC000020549271 182230296 /nfs/dbraw/zinc/23/02/96/182230296.db2.gz KSCLDHIMTRBEEG-UHFFFAOYSA-N 0 0 301.177 2.360 10 30 DEEERN C[C@H](Nc1cccc(S(N)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000021515592 182277576 /nfs/dbraw/zinc/27/75/76/182277576.db2.gz XPLJKWRPOXTMDA-NSHDSACASA-N 0 0 301.371 2.379 10 30 DEEERN N#CCCN(c1ccccc1)S(=O)(=O)c1ccccc1N ZINC000021804513 182291354 /nfs/dbraw/zinc/29/13/54/182291354.db2.gz VTBRPIZTXBJPFF-UHFFFAOYSA-N 0 0 301.371 2.378 10 30 DEEERN C[C@H]1CN(c2cc(Cl)ccc2C#N)C[C@@H]1N1CCOCC1 ZINC000267508903 206114152 /nfs/dbraw/zinc/11/41/52/206114152.db2.gz BBAIOCZPPKTMIV-LRDDRELGSA-N 0 0 305.809 2.369 10 30 DEEERN C=CCN(CC=C)C(=O)c1sc2nc(C)n(C)c(=O)c2c1C ZINC000031865656 182626609 /nfs/dbraw/zinc/62/66/09/182626609.db2.gz NITJQUQTANHLLU-UHFFFAOYSA-N 0 0 317.414 2.426 10 30 DEEERN CC#CCCCC(=O)N1CCCc2c(OCC(N)=O)cccc21 ZINC000456236657 247035832 /nfs/dbraw/zinc/03/58/32/247035832.db2.gz IJMQDSNONPFYTD-UHFFFAOYSA-N 0 0 314.385 2.024 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000456668985 247349194 /nfs/dbraw/zinc/34/91/94/247349194.db2.gz XQICAARTOWFETB-STQMWFEESA-N 0 0 322.371 2.310 10 30 DEEERN C#CCNC(=O)c1nnc(N2CCCC[C@@H]2C)c2ccccc21 ZINC000034838217 182740368 /nfs/dbraw/zinc/74/03/68/182740368.db2.gz OGERBWOJYMXVFI-ZDUSSCGKSA-N 0 0 308.385 2.372 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc(C#N)cc1C ZINC000248876445 291635208 /nfs/dbraw/zinc/63/52/08/291635208.db2.gz WBJFAYFUJGIHNW-IMJJTQAJSA-N 0 0 312.369 2.280 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000458411775 248294606 /nfs/dbraw/zinc/29/46/06/248294606.db2.gz NYVSRYDFLMNXJE-AWEZNQCLSA-N 0 0 319.380 2.476 10 30 DEEERN C=CCC[C@H](CO)NC(=O)NCc1ccc(OCC)c(F)c1 ZINC000458329998 248263780 /nfs/dbraw/zinc/26/37/80/248263780.db2.gz JDLWNBDQKHJOIO-CYBMUJFWSA-N 0 0 310.369 2.351 10 30 DEEERN C#CCn1c(CCCNC(=O)c2ccccn2)nc2ccccc21 ZINC000040184422 183044844 /nfs/dbraw/zinc/04/48/44/183044844.db2.gz BMIOGEWQBKPDRK-UHFFFAOYSA-N 0 0 318.380 2.427 10 30 DEEERN C#CCn1c(CCCCCNC(=O)COC)nc2ccccc21 ZINC000040211395 183045777 /nfs/dbraw/zinc/04/57/77/183045777.db2.gz FIPKRSHXWFQBCP-UHFFFAOYSA-N 0 0 313.401 2.145 10 30 DEEERN C#C[C@@H](NC(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1)C(C)C ZINC000491706301 248954224 /nfs/dbraw/zinc/95/42/24/248954224.db2.gz DQMZJRYFUYVDIN-UONOGXRCSA-N 0 0 308.422 2.408 10 30 DEEERN C=CCN(CC=C)C(=O)Cn1c2ccccc2nc1C(C)(C)O ZINC000040225198 183047840 /nfs/dbraw/zinc/04/78/40/183047840.db2.gz LJWBWAOKLSEUAT-UHFFFAOYSA-N 0 0 313.401 2.464 10 30 DEEERN Cc1ccc(Nc2ncnc(N(CC#N)CC#N)c2N)c(C)c1 ZINC000040736520 183126079 /nfs/dbraw/zinc/12/60/79/183126079.db2.gz LMNWTYDMVHCMGU-UHFFFAOYSA-N 0 0 307.361 2.273 10 30 DEEERN N#CCCN(CCC#N)c1ncnc(Nc2ccccc2)c1N ZINC000040737109 183127425 /nfs/dbraw/zinc/12/74/25/183127425.db2.gz NORGNYZFLUTYGU-UHFFFAOYSA-N 0 0 307.361 2.436 10 30 DEEERN C=CCNC(=O)c1sc2ncn(CCCC)c(=O)c2c1C ZINC000041289117 183183106 /nfs/dbraw/zinc/18/31/06/183183106.db2.gz DJPGXMDWRZDMPG-UHFFFAOYSA-N 0 0 305.403 2.482 10 30 DEEERN C[C@@H]1CN(C(=O)c2ccc(C#CCCO)s2)CC(C)(C)O1 ZINC000041684889 183217063 /nfs/dbraw/zinc/21/70/63/183217063.db2.gz FNSISQIQANTVOP-GFCCVEGCSA-N 0 0 307.415 2.122 10 30 DEEERN CCN(CC/C(N)=N/O)C(=O)c1ccccc1Br ZINC000042453796 183272155 /nfs/dbraw/zinc/27/21/55/183272155.db2.gz SFNYQDQDGJOGAN-UHFFFAOYSA-N 0 0 314.183 2.048 10 30 DEEERN CC(C)C[C@H](C)N(C)S(=O)(=O)c1ccc(C#CCO)cc1 ZINC000042598182 183289695 /nfs/dbraw/zinc/28/96/95/183289695.db2.gz UHEQCKBMOMZTJG-AWEZNQCLSA-N 0 0 309.431 2.086 10 30 DEEERN CS(=O)(=O)c1cccc(OCc2ccc(C#CCO)s2)c1 ZINC000043682986 183380615 /nfs/dbraw/zinc/38/06/15/183380615.db2.gz HRAAJOFTZGZIJF-UHFFFAOYSA-N 0 0 322.407 2.074 10 30 DEEERN COC[C@@H]1C[C@H](OC)CN1c1nc(C(F)(F)F)ccc1C#N ZINC000284484086 218046953 /nfs/dbraw/zinc/04/69/53/218046953.db2.gz GVFZHCIBFOXTJH-QWRGUYRKSA-N 0 0 315.295 2.212 10 30 DEEERN N#Cc1ccc(CN2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c(F)c1 ZINC000284648842 218115559 /nfs/dbraw/zinc/11/55/59/218115559.db2.gz NCLVVJFEIMGRIF-DJIMGWMZSA-N 0 0 304.365 2.059 10 30 DEEERN C=C(Br)CN1CCC(N(C)c2cccnn2)CC1 ZINC000105910264 194166242 /nfs/dbraw/zinc/16/62/42/194166242.db2.gz LIMDVPWACWESDG-UHFFFAOYSA-N 0 0 311.227 2.286 10 30 DEEERN C=CCCO[C@H](C)c1nc(-c2ccnc(S(C)(=O)=O)c2)no1 ZINC000273789388 211061351 /nfs/dbraw/zinc/06/13/51/211061351.db2.gz GYOQZVXLQQLOBN-SNVBAGLBSA-N 0 0 323.374 2.189 10 30 DEEERN COc1ccc(C#CCCO)cc1Cn1c(C)csc1=O ZINC000049619339 183748302 /nfs/dbraw/zinc/74/83/02/183748302.db2.gz JJDZQWZLOOEJTC-UHFFFAOYSA-N 0 0 303.383 2.009 10 30 DEEERN CCn1cnnc1[C@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000109853147 194294141 /nfs/dbraw/zinc/29/41/41/194294141.db2.gz OJTWNIDSMJEVKE-HNNXBMFYSA-N 0 0 309.373 2.189 10 30 DEEERN C=CCN[C@@H](C(=O)OC)c1ccc(OC)c(OC(F)F)c1 ZINC000051961104 183843519 /nfs/dbraw/zinc/84/35/19/183843519.db2.gz CXRONZWIOKLFTF-GFCCVEGCSA-N 0 0 301.289 2.286 10 30 DEEERN N#CCOc1ccc(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000110227334 194317377 /nfs/dbraw/zinc/31/73/77/194317377.db2.gz LEAQTUSDQTYGGM-IRXDYDNUSA-N 0 0 314.385 2.301 10 30 DEEERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2sccc2C#N)C1 ZINC000110756571 194357313 /nfs/dbraw/zinc/35/73/13/194357313.db2.gz RWAOTDLAAVIYIF-GFCCVEGCSA-N 0 0 315.402 2.251 10 30 DEEERN C#CCOC[C@@H]1CCCN(C(=O)NCc2ccc(OC)cc2)C1 ZINC000056923523 184021775 /nfs/dbraw/zinc/02/17/75/184021775.db2.gz YTOPCCILYAUQHL-MRXNPFEDSA-N 0 0 316.401 2.267 10 30 DEEERN COc1ccc(CNC(=O)Nc2ncc(C#N)s2)cc1OC ZINC000056939702 184022012 /nfs/dbraw/zinc/02/20/12/184022012.db2.gz TYSCVQWPMHKMTI-UHFFFAOYSA-N 0 0 318.358 2.354 10 30 DEEERN C[C@H](NC(=O)N1CCC(C#N)CC1)c1ccc2c(c1)OCCO2 ZINC000057989640 184065688 /nfs/dbraw/zinc/06/56/88/184065688.db2.gz POXGYBLWLQCSFP-LBPRGKRZSA-N 0 0 315.373 2.464 10 30 DEEERN CN(C(=O)c1nc(NN)ccc1Cl)c1ccc(C#N)cc1 ZINC000061949823 184198363 /nfs/dbraw/zinc/19/83/63/184198363.db2.gz JBVDONCINIMNEE-UHFFFAOYSA-N 0 0 301.737 2.169 10 30 DEEERN Cc1cc(S(=O)(=O)NCCCC(C)C)ccc1C#CCO ZINC000062096540 184206078 /nfs/dbraw/zinc/20/60/78/184206078.db2.gz NDWFXHBOPMJMCH-UHFFFAOYSA-N 0 0 309.431 2.053 10 30 DEEERN C=CCN(CC=C)C(=O)CNc1ccc(C(=O)NCCC)cc1 ZINC000066090319 184388436 /nfs/dbraw/zinc/38/84/36/184388436.db2.gz BBIUWFHZRCUKPG-UHFFFAOYSA-N 0 0 315.417 2.439 10 30 DEEERN C=C(C)COc1ccc(-c2cc(C(=O)N(C)C)nc(N)n2)cc1 ZINC000066138746 184392538 /nfs/dbraw/zinc/39/25/38/184392538.db2.gz PRJQIUGCURTQOG-UHFFFAOYSA-N 0 0 312.373 2.383 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)CN1CC2(CCCC2)OC(C)(C)C1 ZINC000190982889 285037472 /nfs/dbraw/zinc/03/74/72/285037472.db2.gz AMTSHEZFDGWLJD-OAHLLOKOSA-N 0 0 321.465 2.418 10 30 DEEERN Cc1ccc(N)c(NS(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC000158592456 197286459 /nfs/dbraw/zinc/28/64/59/197286459.db2.gz ZFOVCDTZZLYBKI-UHFFFAOYSA-N 0 0 301.371 2.444 10 30 DEEERN C=CCN(C(=O)Cc1ccc(S(=O)(=O)CC)cc1)C1CC1 ZINC000271320147 208809831 /nfs/dbraw/zinc/80/98/31/208809831.db2.gz ANQXIWGVJCARFU-UHFFFAOYSA-N 0 0 307.415 2.200 10 30 DEEERN N#Cc1cc(Br)ccc1OCCC(=O)NC1CC1 ZINC000157474494 197189611 /nfs/dbraw/zinc/18/96/11/197189611.db2.gz WEPMBSHMTIONHA-UHFFFAOYSA-N 0 0 309.163 2.368 10 30 DEEERN N#Cc1cc(F)ccc1S(=O)(=O)N(CC(F)F)C1CC1 ZINC000157336734 197179944 /nfs/dbraw/zinc/17/99/44/197179944.db2.gz AAKNFGAKQGUHJM-UHFFFAOYSA-N 0 0 304.293 2.116 10 30 DEEERN CN(CCC#N)C(=O)COc1cc(F)cc(Br)c1 ZINC000157242064 197172388 /nfs/dbraw/zinc/17/23/88/197172388.db2.gz ZDNGNPIFHHOPOY-UHFFFAOYSA-N 0 0 315.142 2.339 10 30 DEEERN N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1COc2ccccc21 ZINC000156906679 197149278 /nfs/dbraw/zinc/14/92/78/197149278.db2.gz NTIGHTDWTHIXEF-CYBMUJFWSA-N 0 0 318.329 2.109 10 30 DEEERN COC(=O)[C@@]12CCC[C@H]1CN(c1snc(Cl)c1C#N)C2 ZINC000302136829 533155782 /nfs/dbraw/zinc/15/57/82/533155782.db2.gz DIJBIBHXLXAEEX-ISVAXAHUSA-N 0 0 311.794 2.448 10 30 DEEERN C[C@@H](C#N)Oc1ccc(CN2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000371332643 533161815 /nfs/dbraw/zinc/16/18/15/533161815.db2.gz ALDZHLAPJKSOLT-WMLDXEAASA-N 0 0 310.401 2.150 10 30 DEEERN C=CCCOCCNC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000155150337 197027067 /nfs/dbraw/zinc/02/70/67/197027067.db2.gz ZHJDYBJSBBVTPJ-UHFFFAOYSA-N 0 0 321.327 2.473 10 30 DEEERN C[C@@H](NC(=O)c1ccc(C#N)cn1)c1ccc(-n2ccnn2)cc1 ZINC000153951038 196924362 /nfs/dbraw/zinc/92/43/62/196924362.db2.gz QKXGDWQLCRVAHV-GFCCVEGCSA-N 0 0 318.340 2.025 10 30 DEEERN C#CCOc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000151510602 196691041 /nfs/dbraw/zinc/69/10/41/196691041.db2.gz WJNUOAKHYYVUNA-QFBILLFUSA-N 0 0 313.397 2.466 10 30 DEEERN CC(=O)N1CCC[C@H]1C(=O)NC1(c2ccc3c(c2)OCO3)CC1 ZINC000329848360 404471230 /nfs/dbraw/zinc/47/12/30/404471230.db2.gz YZRSFVAWIPTZRG-ZDUSSCGKSA-N 0 0 316.357 2.372 10 30 DEEERN COCC[C@@H](Cc1ccco1)NC(=O)Cc1cccc(C#N)c1 ZINC000544067518 285330634 /nfs/dbraw/zinc/33/06/34/285330634.db2.gz UTMGOCAOZSPDAM-INIZCTEOSA-N 0 0 312.369 2.458 10 30 DEEERN CCn1cnnc1[C@H]1CCCN(C(=O)c2ccc(C#N)cc2C)C1 ZINC000121656757 195325165 /nfs/dbraw/zinc/32/51/65/195325165.db2.gz BDSXVLNHNHNTCB-HNNXBMFYSA-N 0 0 323.400 2.498 10 30 DEEERN Cn1ccnc1CC1CCN(C(=O)C#Cc2ccccc2)CC1 ZINC000122002862 195389451 /nfs/dbraw/zinc/38/94/51/195389451.db2.gz XUTVJABHCPVBRX-UHFFFAOYSA-N 0 0 307.397 2.253 10 30 DEEERN Cc1cc(NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc(C#N)n1 ZINC000561351362 291960339 /nfs/dbraw/zinc/96/03/39/291960339.db2.gz KRIMJVOMVPRRSA-XJKSGUPXSA-N 0 0 301.390 2.241 10 30 DEEERN O=C(Nc1cc(Cl)ccc1C#CCCO)[C@H]1CCCOC1 ZINC000125425207 195747977 /nfs/dbraw/zinc/74/79/77/195747977.db2.gz CAHGRSYSEMUJLT-ZDUSSCGKSA-N 0 0 307.777 2.439 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NCc2cscn2)cc1Cl ZINC000125780975 195784007 /nfs/dbraw/zinc/78/40/07/195784007.db2.gz SJDBHSHYWPZYKT-UHFFFAOYSA-N 0 0 313.791 2.147 10 30 DEEERN CC(C)n1c(Sc2ccc([N+](=O)[O-])cc2C#N)n[nH]c1=O ZINC000128064001 195932484 /nfs/dbraw/zinc/93/24/84/195932484.db2.gz HUKCMAAAUNOCHF-UHFFFAOYSA-N 0 0 305.319 2.083 10 30 DEEERN COc1nccc(NC(=O)N(C[C@H]2CCCO2)C2CCCC2)n1 ZINC000328728429 533242675 /nfs/dbraw/zinc/24/26/75/533242675.db2.gz DWAWRPJQHUNWSA-CYBMUJFWSA-N 0 0 320.393 2.454 10 30 DEEERN S=C(N/N=C/c1cccnc1)N[C@@H]1C[C@H]2C[C@@H]1[C@@H]1C=CC[C@@H]21 ZINC000013464462 285408988 /nfs/dbraw/zinc/40/89/88/285408988.db2.gz JJXPUKQXKASOFA-IDLZUDECSA-N 0 0 312.442 2.480 10 30 DEEERN COc1cccc(CCNC(=O)N(C)Cc2ccc(C#N)cc2)n1 ZINC000441477154 533459733 /nfs/dbraw/zinc/45/97/33/533459733.db2.gz LXAAVOSPHOULHF-UHFFFAOYSA-N 0 0 324.384 2.346 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N(CC)CCC ZINC000453463734 533537084 /nfs/dbraw/zinc/53/70/84/533537084.db2.gz QJMZMTCISYXWAG-UHFFFAOYSA-N 0 0 303.414 2.194 10 30 DEEERN Cc1cccc([C@H](CNc2ccncc2C#N)N2CCOCC2)c1 ZINC000545947726 285461075 /nfs/dbraw/zinc/46/10/75/285461075.db2.gz GMFCKWNWPGGNPZ-IBGZPJMESA-N 0 0 322.412 2.169 10 30 DEEERN N#Cc1ccnc(NC(=O)CCCNC(=O)c2ccsc2)c1 ZINC000357428605 133077529 /nfs/dbraw/zinc/07/75/29/133077529.db2.gz SVFWEGLTSWWKQN-UHFFFAOYSA-N 0 0 314.370 2.163 10 30 DEEERN CC(C)Oc1cc(F)ccc1NC(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000361895752 133198522 /nfs/dbraw/zinc/19/85/22/133198522.db2.gz BFAFBEKHGJYDIZ-SNVBAGLBSA-N 0 0 317.324 2.276 10 30 DEEERN Cc1nc([N+](=O)[O-])c(-c2noc(Cc3cccc(C#N)c3)n2)n1C ZINC000564158652 292087186 /nfs/dbraw/zinc/08/71/86/292087186.db2.gz BPHQIBREGHRHTM-UHFFFAOYSA-N 0 0 324.300 2.149 10 30 DEEERN O=C(N[C@H]1CCCC12CCOCC2)N1CCC[C@@](F)(CO)C1 ZINC000329521107 296558454 /nfs/dbraw/zinc/55/84/54/296558454.db2.gz QORQRVWVPHTTDE-BBRMVZONSA-N 0 0 314.401 2.046 10 30 DEEERN Cc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c(O)c1 ZINC000183695432 144933558 /nfs/dbraw/zinc/93/35/58/144933558.db2.gz SBFLRKNUGBHLDS-UHFFFAOYSA-N 0 0 319.324 2.405 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)Cc2ccccc2O)cn1 ZINC000184284936 144942543 /nfs/dbraw/zinc/94/25/43/144942543.db2.gz PXVDTQGTQWZZOJ-UHFFFAOYSA-N 0 0 319.324 2.026 10 30 DEEERN CCn1cnnc1-c1cccc(NC(=O)c2ccnc(C#N)c2)c1 ZINC000192640852 145076093 /nfs/dbraw/zinc/07/60/93/145076093.db2.gz UZHLOYPBMJUGEL-UHFFFAOYSA-N 0 0 318.340 2.484 10 30 DEEERN N#Cc1cc(C(=O)NCc2cccc(N3CC=CC3)c2)ccn1 ZINC000193319969 145084515 /nfs/dbraw/zinc/08/45/15/145084515.db2.gz NEIDTLUKVBLCJK-UHFFFAOYSA-N 0 0 304.353 2.259 10 30 DEEERN C[C@H](NC(=O)c1ccnc(C#N)c1)c1cn(-c2ccccc2)nn1 ZINC000193545101 145086874 /nfs/dbraw/zinc/08/68/74/145086874.db2.gz PLJXLCRVIYEKTB-LBPRGKRZSA-N 0 0 318.340 2.025 10 30 DEEERN Cc1ccn(-c2ccccc2CNC(=O)c2ccnc(C#N)c2)n1 ZINC000193584396 145087215 /nfs/dbraw/zinc/08/72/15/145087215.db2.gz QZRVIDMEABRWSV-UHFFFAOYSA-N 0 0 317.352 2.377 10 30 DEEERN C[C@@H](NC(=O)c1ccnc(C#N)c1)c1noc(-c2ccccc2)n1 ZINC000193542658 145087243 /nfs/dbraw/zinc/08/72/43/145087243.db2.gz FLURUFVWXWRUDD-LLVKDONJSA-N 0 0 319.324 2.494 10 30 DEEERN COC(=O)[C@@H](NC(=O)c1ccnc(C#N)c1)c1ccc(C)c(C)c1 ZINC000193845801 145090680 /nfs/dbraw/zinc/09/06/80/145090680.db2.gz RHFFAPVMXVIXQA-INIZCTEOSA-N 0 0 323.352 2.214 10 30 DEEERN COC(=O)[C@H](NC(=O)c1ccnc(C#N)c1)c1ccc(C)c(C)c1 ZINC000193845815 145090963 /nfs/dbraw/zinc/09/09/63/145090963.db2.gz RHFFAPVMXVIXQA-MRXNPFEDSA-N 0 0 323.352 2.214 10 30 DEEERN Cc1cscc1CNS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000336834547 145399612 /nfs/dbraw/zinc/39/96/12/145399612.db2.gz ICOFNBNGOPSTPE-UHFFFAOYSA-N 0 0 307.400 2.110 10 30 DEEERN CC(=O)c1ccc(C#N)c(N2CCO[C@@]3(CCSC3)C2)c1 ZINC000565301992 292153868 /nfs/dbraw/zinc/15/38/68/292153868.db2.gz JURYYJVTSIJJJE-INIZCTEOSA-N 0 0 302.399 2.473 10 30 DEEERN COC(=O)CN(C(=O)c1sccc1C#N)c1cccc(C)n1 ZINC000358485992 147142870 /nfs/dbraw/zinc/14/28/70/147142870.db2.gz JLEHSLXGWQVOQO-UHFFFAOYSA-N 0 0 315.354 2.143 10 30 DEEERN Cn1ccc([C@@H](NC(=O)c2ccc(C#N)[nH]2)c2ccc(F)cc2)n1 ZINC000358917274 147230437 /nfs/dbraw/zinc/23/04/37/147230437.db2.gz FDSTWFHUONQXJJ-INIZCTEOSA-N 0 0 323.331 2.278 10 30 DEEERN N#Cc1cccc(C(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375589935 148388749 /nfs/dbraw/zinc/38/87/49/148388749.db2.gz DUKNWPREDHOMHC-CQSZACIVSA-N 0 0 308.341 2.448 10 30 DEEERN C#CCCN1CCN(CC(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000127262261 401726207 /nfs/dbraw/zinc/72/62/07/401726207.db2.gz FELDWVHFQHBNTO-UHFFFAOYSA-N 0 0 313.445 2.389 10 30 DEEERN COc1ccc(F)cc1CNS(=O)(=O)c1ccccc1C#N ZINC000074986688 401746283 /nfs/dbraw/zinc/74/62/83/401746283.db2.gz MOGWJNXKJFOJSF-UHFFFAOYSA-N 0 0 320.345 2.184 10 30 DEEERN C=CCc1cc(-c2cc(C[C@H](O)CO)ccc2O)ccc1O ZINC000014585208 401811771 /nfs/dbraw/zinc/81/17/71/401811771.db2.gz LHJCLTLPXXKFTJ-HNNXBMFYSA-N 0 0 300.354 2.389 10 30 biogenic,in-vitro DEEERN CC[C@@H](CC#N)NC(=O)C(=O)Nc1cc(F)ccc1OC(C)C ZINC000128153810 401765371 /nfs/dbraw/zinc/76/53/71/401765371.db2.gz SLTQFPALGRUKGQ-LBPRGKRZSA-N 0 0 321.352 2.360 10 30 DEEERN C=CCCCN(C)C(=O)c1cccc(S(=O)(=O)NC(C)C)c1 ZINC000076490357 401796331 /nfs/dbraw/zinc/79/63/31/401796331.db2.gz IQVMSJPUDSWMJF-UHFFFAOYSA-N 0 0 324.446 2.412 10 30 DEEERN CN(C)c1ncccc1CNC(=O)Nc1ccc(F)c(C#N)c1 ZINC000077499532 401817500 /nfs/dbraw/zinc/81/75/00/401817500.db2.gz QPVYKXKTXLVWKB-UHFFFAOYSA-N 0 0 313.336 2.480 10 30 DEEERN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116319567 401849547 /nfs/dbraw/zinc/84/95/47/401849547.db2.gz NWGOWNKIXCMEKS-ZFWWWQNUSA-N 0 0 323.400 2.108 10 30 DEEERN C=CC[C@H](C)NC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000116849480 401861412 /nfs/dbraw/zinc/86/14/12/401861412.db2.gz RCIZYAHKNUNIMX-GXTWGEPZSA-N 0 0 306.431 2.362 10 30 DEEERN C=CC[C@@H](C)NC(=O)NCc1c(OC)cc(OC)cc1OC ZINC000116942938 401865135 /nfs/dbraw/zinc/86/51/35/401865135.db2.gz BQTODRLSFNPTSV-LLVKDONJSA-N 0 0 308.378 2.476 10 30 DEEERN C=C[C@](C)(CC)C(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000135036094 401925137 /nfs/dbraw/zinc/92/51/37/401925137.db2.gz ZLEGBUDXZQNZJP-DOTOQJQBSA-N 0 0 305.422 2.330 10 30 DEEERN N#Cc1ccc(OCCNC(=O)NCc2cccs2)cc1 ZINC000080584582 401891025 /nfs/dbraw/zinc/89/10/25/401891025.db2.gz FHBUQQQDUSFLLO-UHFFFAOYSA-N 0 0 301.371 2.498 10 30 DEEERN CCO[C@H]1C[C@@H](NC(=O)c2cc(C#N)cn2C)C12CCCC2 ZINC000081550526 401896813 /nfs/dbraw/zinc/89/68/13/401896813.db2.gz YFRLDIHPKGRVKH-CABCVRRESA-N 0 0 301.390 2.364 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000081728678 401898528 /nfs/dbraw/zinc/89/85/28/401898528.db2.gz KWZZHDRHSQHOBD-INIZCTEOSA-N 0 0 324.384 2.113 10 30 DEEERN C[C@H](NC(=O)CCc1ccc(C#N)cc1)c1nnc2n1CCCC2 ZINC000135323119 401935997 /nfs/dbraw/zinc/93/59/97/401935997.db2.gz LOSZQBXHTIQPRL-ZDUSSCGKSA-N 0 0 323.400 2.296 10 30 DEEERN C=C(C)COCCNC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000134983170 401922567 /nfs/dbraw/zinc/92/25/67/401922567.db2.gz MXKVDPAPKQQQQK-CYBMUJFWSA-N 0 0 320.389 2.411 10 30 DEEERN C[C@@H](C[S@](C)=O)N(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000135790372 401953361 /nfs/dbraw/zinc/95/33/61/401953361.db2.gz WPWWHRLHGFVHNM-LAJNKCICSA-N 0 0 304.415 2.081 10 30 DEEERN CC#CCNC(=O)N1CCC(CN2CCc3ccccc32)CC1 ZINC000135936068 401955804 /nfs/dbraw/zinc/95/58/04/401955804.db2.gz QCAHPRVGEVTKBS-UHFFFAOYSA-N 0 0 311.429 2.494 10 30 DEEERN C=CCN1C(=O)C(=Cc2cccc3c2NCC3)C(=O)NC1=S ZINC000089210469 401939062 /nfs/dbraw/zinc/93/90/62/401939062.db2.gz VUXRBWILKLASQU-XFXZXTDPSA-N 0 0 313.382 2.308 10 30 DEEERN COCc1cc(NC(=O)N(C)Cc2ccc(C#N)cc2)ncn1 ZINC000093312630 402013787 /nfs/dbraw/zinc/01/37/87/402013787.db2.gz INOCKZOFFXPEMM-UHFFFAOYSA-N 0 0 311.345 2.159 10 30 DEEERN C#CCSCCNC(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000121451745 402036530 /nfs/dbraw/zinc/03/65/30/402036530.db2.gz HMPKMIRQPPAOCW-HNNXBMFYSA-N 0 0 303.431 2.249 10 30 DEEERN N#Cc1ccc2ncc(C=Cc3nc4cnccc4c(=O)[nH]3)n2c1 ZINC000151501151 402040341 /nfs/dbraw/zinc/04/03/41/402040341.db2.gz JZMDPHOHTXIYMR-NSCUHMNNSA-N 0 0 314.308 2.008 10 30 DEEERN C=C(Br)CN1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000121500463 402040542 /nfs/dbraw/zinc/04/05/42/402040542.db2.gz OPRDNVQDDVMMDK-SECBINFHSA-N 0 0 316.224 2.455 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)CNc1cc(CO)ccc1Cl ZINC000121740086 402051269 /nfs/dbraw/zinc/05/12/69/402051269.db2.gz FWSALFTWZYHLPZ-LLVKDONJSA-N 0 0 309.797 2.252 10 30 DEEERN C=CCNC(=O)N1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000053512348 402057005 /nfs/dbraw/zinc/05/70/05/402057005.db2.gz OOLPKVPXZYZDQB-UHFFFAOYSA-N 0 0 303.406 2.099 10 30 DEEERN C=CCCOCCNC(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000122423471 402077926 /nfs/dbraw/zinc/07/79/26/402077926.db2.gz SSNBHMZPMHSOJA-UHFFFAOYSA-N 0 0 320.437 2.385 10 30 DEEERN CN(C)c1ccc(CN2CCN(c3ncccc3C#N)CC2)cc1 ZINC000122899625 402100278 /nfs/dbraw/zinc/10/02/78/402100278.db2.gz UAYGDHHUDNRUIR-UHFFFAOYSA-N 0 0 321.428 2.341 10 30 DEEERN C=CCOc1cccc(CN2CCO[C@H](Cn3cccn3)C2)c1 ZINC000122204296 402066198 /nfs/dbraw/zinc/06/61/98/402066198.db2.gz QSWOKYHMOBKPTF-SFHVURJKSA-N 0 0 313.401 2.349 10 30 DEEERN CSCCCCNC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000153058228 402124257 /nfs/dbraw/zinc/12/42/57/402124257.db2.gz GUWFLORJSPVTTP-UHFFFAOYSA-N 0 0 319.430 2.474 10 30 DEEERN COC[C@@H](C)n1c(C)cc(C(=O)Cn2ccnc2C#N)c1C ZINC000123926987 402154570 /nfs/dbraw/zinc/15/45/70/402154570.db2.gz IHGCYULLVHEDFW-GFCCVEGCSA-N 0 0 300.362 2.263 10 30 DEEERN CC[C@H](C#N)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000124269352 402172088 /nfs/dbraw/zinc/17/20/88/402172088.db2.gz YRCJXPMKWHNLFV-XGUBFFRZSA-N 0 0 313.405 2.032 10 30 DEEERN N#Cc1cc(N[C@@H]2CCCS(=O)(=O)C2)nc2ccccc12 ZINC000069144589 402214936 /nfs/dbraw/zinc/21/49/36/402214936.db2.gz GXYFOVZSUTUFCA-GFCCVEGCSA-N 0 0 301.371 2.096 10 30 DEEERN C=CCCOCCNC(=O)C(=O)Nc1cc(CC)ccc1CC ZINC000154674727 402225335 /nfs/dbraw/zinc/22/53/35/402225335.db2.gz YLWVUHCHBOBYMX-UHFFFAOYSA-N 0 0 318.417 2.459 10 30 DEEERN CC(C)Cn1nc(C(=O)N[C@@H](C#N)C2CC2)c2ccccc2c1=O ZINC000108831859 402262630 /nfs/dbraw/zinc/26/26/30/402262630.db2.gz NDEYCIRZSLQIQE-HNNXBMFYSA-N 0 0 324.384 2.084 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCCCOC[C@@H]1CCOC1 ZINC000124949816 402205661 /nfs/dbraw/zinc/20/56/61/402205661.db2.gz PWWIQDZKUFCTGF-HNNXBMFYSA-N 0 0 302.374 2.040 10 30 DEEERN CC(C)C[C@H](NC(=O)c1cc(C#N)cn1C)C(=O)OC(C)(C)C ZINC000125024069 402209119 /nfs/dbraw/zinc/20/91/19/402209119.db2.gz WZUWWZNUKPIQAG-ZDUSSCGKSA-N 0 0 319.405 2.383 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000184597993 402281763 /nfs/dbraw/zinc/28/17/63/402281763.db2.gz SAHWMRQVEMIAFW-NWDGAFQWSA-N 0 0 313.344 2.423 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)NCC2(C3CC3)CC2)cn1 ZINC000184618806 402284955 /nfs/dbraw/zinc/28/49/55/402284955.db2.gz ANYJFCBKBIRRBM-UHFFFAOYSA-N 0 0 322.372 2.451 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCO[C@H](c2cccs2)C1 ZINC000157485947 402295426 /nfs/dbraw/zinc/29/54/26/402295426.db2.gz LXLSNBBNFASJMP-KBPBESRZSA-N 0 0 321.446 2.130 10 30 DEEERN COC[C@](C)(CCO)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000176406121 402306602 /nfs/dbraw/zinc/30/66/02/402306602.db2.gz MGJYUCIAYRELGJ-AWEZNQCLSA-N 0 0 311.769 2.121 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(C[C@H](C)C(=O)OC)cc1 ZINC000184882497 402306756 /nfs/dbraw/zinc/30/67/56/402306756.db2.gz FEUHCCDSAWLWCW-WFASDCNBSA-N 0 0 320.389 2.097 10 30 DEEERN Cc1ccc(C2=[N+]([O-])[C@@]3(CCCC/C3=N\O)N(O)C2(C)C)o1 ZINC000225411222 402316480 /nfs/dbraw/zinc/31/64/80/402316480.db2.gz OUOLKYYQGWFYGK-DLEKYWELSA-O 0 0 308.358 2.363 10 30 DEEERN CCN(CCc1nccs1)CC(=O)NC1(C#N)CCCCC1 ZINC000159183416 402318423 /nfs/dbraw/zinc/31/84/23/402318423.db2.gz KJRUQTSJYFMLMR-UHFFFAOYSA-N 0 0 320.462 2.350 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000185124472 402326420 /nfs/dbraw/zinc/32/64/20/402326420.db2.gz QEKXZSCJCAINJZ-UKRRQHHQSA-N 0 0 304.390 2.489 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCCNC(=O)c1ccc(OC)cc1 ZINC000185415629 402351247 /nfs/dbraw/zinc/35/12/47/402351247.db2.gz RNEMMCBSNUBSDM-ZDUSSCGKSA-N 0 0 304.390 2.144 10 30 DEEERN CC(C)C[C@H](C)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000185504624 402357633 /nfs/dbraw/zinc/35/76/33/402357633.db2.gz UWSPOBWIDHKPOM-KBPBESRZSA-N 0 0 315.421 2.068 10 30 DEEERN CC(C)c1ccnc(N2CCN(Cc3ccc(C#N)o3)CC2)n1 ZINC000185658389 402367552 /nfs/dbraw/zinc/36/75/52/402367552.db2.gz IFSTZPUCVPBIKL-UHFFFAOYSA-N 0 0 311.389 2.387 10 30 DEEERN CCc1nc(-c2ccccc2NC(=O)c2cc(C#N)cn2C)n[nH]1 ZINC000161083040 402372276 /nfs/dbraw/zinc/37/22/76/402372276.db2.gz BITGJKYYTWAFSE-UHFFFAOYSA-N 0 0 320.356 2.497 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(C)n(Cc2ccccn2)c1C ZINC000185747577 402373617 /nfs/dbraw/zinc/37/36/17/402373617.db2.gz KZQXPRPJHCWYPF-INIZCTEOSA-N 0 0 313.401 2.215 10 30 DEEERN C=CC[C@@H](CO)NC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000185743962 402373638 /nfs/dbraw/zinc/37/36/38/402373638.db2.gz XPFBCWXNUOKEJL-NSHDSACASA-N 0 0 303.280 2.137 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnn(-c2ccccc2)c1CCC ZINC000185765778 402374590 /nfs/dbraw/zinc/37/45/90/402374590.db2.gz NIRKRNWXTASGRM-AWEZNQCLSA-N 0 0 313.401 2.492 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000161169362 402375855 /nfs/dbraw/zinc/37/58/55/402375855.db2.gz JCOWQVHPYQSJIB-CABCVRRESA-N 0 0 318.417 2.371 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000161169245 402376152 /nfs/dbraw/zinc/37/61/52/402376152.db2.gz JCOWQVHPYQSJIB-GJZGRUSLSA-N 0 0 318.417 2.371 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1cc(F)ccc1Br ZINC000185807979 402379027 /nfs/dbraw/zinc/37/90/27/402379027.db2.gz AUJYHQPBHJCYSK-LLVKDONJSA-N 0 0 316.170 2.184 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(F)cc1Br ZINC000185833639 402381196 /nfs/dbraw/zinc/38/11/96/402381196.db2.gz AUEBMOUMOGKBTJ-VIFPVBQESA-N 0 0 302.143 2.255 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1ccc(F)c(Br)c1 ZINC000185884917 402385941 /nfs/dbraw/zinc/38/59/41/402385941.db2.gz MZWMPBWWDWZAMT-SNVBAGLBSA-N 0 0 316.170 2.184 10 30 DEEERN CN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000186150712 402405551 /nfs/dbraw/zinc/40/55/51/402405551.db2.gz LAPYNAWXHLVJAS-GFCCVEGCSA-N 0 0 312.291 2.237 10 30 DEEERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cc(C#N)cs1)CC2 ZINC000177492910 402408930 /nfs/dbraw/zinc/40/89/30/402408930.db2.gz FMHKDTGALXRBLJ-LLVKDONJSA-N 0 0 315.402 2.079 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000186658410 402452453 /nfs/dbraw/zinc/45/24/53/402452453.db2.gz FTKSYAKCIOUKHH-JTQLQIEISA-N 0 0 310.202 2.209 10 30 DEEERN CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000164998246 402471836 /nfs/dbraw/zinc/47/18/36/402471836.db2.gz FEFZYRUCDFLIOT-UHFFFAOYSA-N 0 0 301.371 2.477 10 30 DEEERN C=C(C)CN(CC)C(=O)COc1ccccc1-c1nc[nH]n1 ZINC000165408918 402476096 /nfs/dbraw/zinc/47/60/96/402476096.db2.gz QYPVXCXZMIELON-UHFFFAOYSA-N 0 0 300.362 2.275 10 30 DEEERN N#CC1(CS(=O)(=O)N(C[C@H]2CCCO2)C2CCCC2)CC1 ZINC000165703186 402477675 /nfs/dbraw/zinc/47/76/75/402477675.db2.gz ZBPZWKGCDWJLEZ-CQSZACIVSA-N 0 0 312.435 2.044 10 30 DEEERN C[C@H](CNS(=O)(=O)CC1(C#N)CC1)c1ccc(F)cc1F ZINC000165764770 402478437 /nfs/dbraw/zinc/47/84/37/402478437.db2.gz DPTCTPUIVLGYDJ-SNVBAGLBSA-N 0 0 314.357 2.291 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCc1cccnc1-n1ccnc1 ZINC000189776436 402557985 /nfs/dbraw/zinc/55/79/85/402557985.db2.gz GUIMTSJTKCKWIY-KRWDZBQOSA-N 0 0 314.389 2.112 10 30 DEEERN C=CCn1c(Cc2ccccc2)nnc1S[C@H]1CCNC1=O ZINC000179002324 402563626 /nfs/dbraw/zinc/56/36/26/402563626.db2.gz SDYFEGKAFPRVOL-ZDUSSCGKSA-N 0 0 314.414 2.036 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCC(C)(C)O1 ZINC000188753238 402525555 /nfs/dbraw/zinc/52/55/55/402525555.db2.gz NAIRGMZHPKVCPQ-CYBMUJFWSA-N 0 0 308.403 2.103 10 30 DEEERN C=CCOc1ccc(CNCc2cc(C(N)=O)co2)cc1OC ZINC000189401388 402536323 /nfs/dbraw/zinc/53/63/23/402536323.db2.gz GSGNNMYNKUDRTH-UHFFFAOYSA-N 0 0 316.357 2.242 10 30 DEEERN C[C@@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)N1CCSCC1 ZINC000179172106 402578266 /nfs/dbraw/zinc/57/82/66/402578266.db2.gz UXYPKGKPACWEKY-FZMZJTMJSA-N 0 0 323.849 2.458 10 30 DEEERN CN1C(=O)C[C@H](C(=O)NCCCCC#N)[C@@H]1c1ccc(F)cc1 ZINC000179331630 402585061 /nfs/dbraw/zinc/58/50/61/402585061.db2.gz UTNIYASWPYIRJS-HOCLYGCPSA-N 0 0 317.364 2.155 10 30 DEEERN CCOC(=O)[C@H](C)[C@H](C)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000248455279 402591234 /nfs/dbraw/zinc/59/12/34/402591234.db2.gz KWDOHOSLFQDSPJ-AGIUHOORSA-N 0 0 318.373 2.029 10 30 DEEERN C[C@H](C(=O)N(C)CCC#N)N1CCc2[nH]c3ccccc3c2C1 ZINC000171617335 402601963 /nfs/dbraw/zinc/60/19/63/402601963.db2.gz ZKBUEPYEORSVPT-CYBMUJFWSA-N 0 0 310.401 2.287 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCCOC1 ZINC000171680186 402608943 /nfs/dbraw/zinc/60/89/43/402608943.db2.gz NRLUSBCODXYSHP-GOEBONIOSA-N 0 0 302.374 2.257 10 30 DEEERN CN(CC#Cc1ccccc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000248809497 402609388 /nfs/dbraw/zinc/60/93/88/402609388.db2.gz CGXVAFIOKSMMPV-DLBZAZTESA-N 0 0 305.443 2.326 10 30 DEEERN N#Cc1ccc(NC(=O)C(=O)NC/C=C/c2ccccc2)cc1 ZINC000171873269 402630839 /nfs/dbraw/zinc/63/08/39/402630839.db2.gz SUUQIMWOCAAVME-QPJJXVBHSA-N 0 0 305.337 2.326 10 30 DEEERN CNC(=O)[C@@H](NCc1ccc(C#N)cc1Br)C(C)C ZINC000181229814 402638577 /nfs/dbraw/zinc/63/85/77/402638577.db2.gz CKGRNCQNSPVJEW-ZDUSSCGKSA-N 0 0 324.222 2.181 10 30 DEEERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cc(C#N)ccc1C)CC2 ZINC000172295362 402648444 /nfs/dbraw/zinc/64/84/44/402648444.db2.gz HDEJKSZKLYWNCC-CYBMUJFWSA-N 0 0 324.388 2.157 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000172433747 402655750 /nfs/dbraw/zinc/65/57/50/402655750.db2.gz BTCDMXYLKSZCKX-ZIAGYGMSSA-N 0 0 302.374 2.025 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1noc(COC)n1 ZINC000182665510 402707120 /nfs/dbraw/zinc/70/71/20/402707120.db2.gz FCZODDLPOQEQEQ-UHFFFAOYSA-N 0 0 305.290 2.432 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000173886889 402717090 /nfs/dbraw/zinc/71/70/90/402717090.db2.gz FQLWHQBBNLPSGF-UHFFFAOYSA-N 0 0 310.309 2.096 10 30 DEEERN Cc1noc(C)c1[C@@H](C)C(=O)NCCOc1ccc(C#N)cc1 ZINC000173892634 402717678 /nfs/dbraw/zinc/71/76/78/402717678.db2.gz OAJCYSBFJJRNGY-LLVKDONJSA-N 0 0 313.357 2.462 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000173903759 402718074 /nfs/dbraw/zinc/71/80/74/402718074.db2.gz OGKOMMKIUVEPEN-UHFFFAOYSA-N 0 0 317.326 2.337 10 30 DEEERN C[C@H](NC(=O)CSCC#N)c1cccc(-n2ccnc2)c1 ZINC000173912693 402718725 /nfs/dbraw/zinc/71/87/25/402718725.db2.gz HCNCCXFWHGKPGA-LBPRGKRZSA-N 0 0 300.387 2.306 10 30 DEEERN C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](C)C(C)C)cc1 ZINC000172580093 402663826 /nfs/dbraw/zinc/66/38/26/402663826.db2.gz QPKBOHTVQDFELE-ZDUSSCGKSA-N 0 0 324.446 2.173 10 30 DEEERN CCOc1cc(C=Nn2c(C(F)F)n[n-]c2=S)ccc1O ZINC000254573806 402671106 /nfs/dbraw/zinc/67/11/06/402671106.db2.gz YXOYIXDOFMKHPR-UHFFFAOYSA-N 0 0 314.317 2.491 10 30 DEEERN COCCOc1ccc(C#N)cc1NC(=O)c1ccn(C)c1C ZINC000192587276 402738603 /nfs/dbraw/zinc/73/86/03/402738603.db2.gz DHUPNPODNAAWFK-UHFFFAOYSA-N 0 0 313.357 2.483 10 30 DEEERN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCOC[C@H]1C ZINC000193975958 402780834 /nfs/dbraw/zinc/78/08/34/402780834.db2.gz MEEVKNUPDAYNJZ-PBHICJAKSA-N 0 0 316.401 2.206 10 30 DEEERN COc1ncccc1NC(=O)NCCOc1ccc(C#N)cc1 ZINC000175139964 402782990 /nfs/dbraw/zinc/78/29/90/402782990.db2.gz QTBOEGHSZMONQI-UHFFFAOYSA-N 0 0 312.329 2.162 10 30 DEEERN CCOCCN1CCN(c2nc(C)cc(C)c2C#N)C[C@@H]1C ZINC000174735980 402754517 /nfs/dbraw/zinc/75/45/17/402754517.db2.gz HNJZPXWOOCIIPI-HNNXBMFYSA-N 0 0 302.422 2.117 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@H](C)Oc1cccc(Cl)c1 ZINC000183617503 402782309 /nfs/dbraw/zinc/78/23/09/402782309.db2.gz BQZPMGOUJZDOJD-WCQYABFASA-N 0 0 312.797 2.344 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000193484065 402771446 /nfs/dbraw/zinc/77/14/46/402771446.db2.gz BJXQYOHCVDCBNH-ZDUSSCGKSA-N 0 0 302.374 2.399 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCCN(CC)c1ccccc1 ZINC000182870876 402723171 /nfs/dbraw/zinc/72/31/71/402723171.db2.gz ILCMVGYPOWPBAZ-OAHLLOKOSA-N 0 0 305.422 2.139 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCCO[C@H](C)c1ccccc1 ZINC000182871129 402723293 /nfs/dbraw/zinc/72/32/93/402723293.db2.gz JEIHXOHDSJTDLP-ZBFHGGJFSA-N 0 0 306.406 2.391 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000183854044 402801963 /nfs/dbraw/zinc/80/19/63/402801963.db2.gz BMEDIEWUUNHZHB-TZMCWYRMSA-N 0 0 308.353 2.276 10 30 DEEERN COCCCCS(=O)(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000184226324 402828233 /nfs/dbraw/zinc/82/82/33/402828233.db2.gz QLGWUNOABLXBKU-UHFFFAOYSA-N 0 0 322.430 2.279 10 30 DEEERN COc1ccc(OC)c([C@H](C)NC(=O)c2ccnc(C#N)c2)c1 ZINC000195057627 402829737 /nfs/dbraw/zinc/82/97/37/402829737.db2.gz NHCARPFWHGHMAI-NSHDSACASA-N 0 0 311.341 2.461 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000175976469 402845849 /nfs/dbraw/zinc/84/58/49/402845849.db2.gz WEZSUVATIAJLRW-LBPRGKRZSA-N 0 0 300.387 2.373 10 30 DEEERN C=C(C)CN(CC)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000278412041 402864889 /nfs/dbraw/zinc/86/48/89/402864889.db2.gz QBKSHKMZLWRUSR-HNNXBMFYSA-N 0 0 319.453 2.305 10 30 DEEERN C=C1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000264508627 402885228 /nfs/dbraw/zinc/88/52/28/402885228.db2.gz RSTIAIDWVWYKPJ-UHFFFAOYSA-N 0 0 311.794 2.328 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(NC(=O)NCC)c1C ZINC000279013120 402895383 /nfs/dbraw/zinc/89/53/83/402895383.db2.gz OSNWGOWGQCVKBI-LBPRGKRZSA-N 0 0 320.393 2.195 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc(C(=O)OC)c(OC)n1 ZINC000280714159 403029272 /nfs/dbraw/zinc/02/92/72/403029272.db2.gz IAZXCOMTTKVEHT-RISCZKNCSA-N 0 0 306.362 2.270 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000280860072 403044279 /nfs/dbraw/zinc/04/42/79/403044279.db2.gz BKPTUXUSNOZSGE-ZFWWWQNUSA-N 0 0 319.405 2.184 10 30 DEEERN N#Cc1ccc(NC(=O)N2CCO[C@@]3(CCOC3)C2)c(Cl)c1 ZINC000274458288 403057728 /nfs/dbraw/zinc/05/77/28/403057728.db2.gz WNZWOOFQERVVGX-HNNXBMFYSA-N 0 0 321.764 2.235 10 30 DEEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000281319128 403063993 /nfs/dbraw/zinc/06/39/93/403063993.db2.gz AVUQEBVMUWWVSW-AAEUAGOBSA-N 0 0 304.394 2.264 10 30 DEEERN COCc1nc2n(n1)CCC[C@H]2Nc1snc(Cl)c1C#N ZINC000268381583 403078147 /nfs/dbraw/zinc/07/81/47/403078147.db2.gz JPWDRSPBUSCREB-MRVPVSSYSA-N 0 0 324.797 2.353 10 30 DEEERN C=C(C)COc1cc(CN2CC(=O)N(C)[C@@H](C)C2)ccc1OC ZINC000282864059 403163191 /nfs/dbraw/zinc/16/31/91/403163191.db2.gz XMDVWKYBRQCLTF-AWEZNQCLSA-N 0 0 318.417 2.313 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1CCC(c2ccnn2C)CC1 ZINC000282415727 403151609 /nfs/dbraw/zinc/15/16/09/403151609.db2.gz XOWZJWNDMQEHCJ-UHFFFAOYSA-N 0 0 312.421 2.459 10 30 DEEERN C=CCn1c(C2CCC2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC000282541612 403155902 /nfs/dbraw/zinc/15/59/02/403155902.db2.gz IBQAELVWXNBSKC-CQSZACIVSA-N 0 0 312.421 2.459 10 30 DEEERN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCS[C@@H](C)C1 ZINC000283702430 403216666 /nfs/dbraw/zinc/21/66/66/403216666.db2.gz VKCHAOVLUXASOX-LBPRGKRZSA-N 0 0 318.450 2.196 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)CCOc1ccc(F)cc1 ZINC000297945610 403291618 /nfs/dbraw/zinc/29/16/18/403291618.db2.gz VRQUPJOLSWUPOY-UHFFFAOYSA-N 0 0 322.380 2.088 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](C)Cc1ccccc1F ZINC000284385221 403267003 /nfs/dbraw/zinc/26/70/03/403267003.db2.gz IALLCHJARPRFGV-CYBMUJFWSA-N 0 0 306.381 2.298 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000285280445 403280286 /nfs/dbraw/zinc/28/02/86/403280286.db2.gz JISPSJGKKJBWAY-SJORKVTESA-N 0 0 321.442 2.110 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@]1(CC)OCCc2ccccc21 ZINC000292168272 403310859 /nfs/dbraw/zinc/31/08/59/403310859.db2.gz ZVNQPYZTBLNRKF-YJBOKZPZSA-N 0 0 318.417 2.101 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCO[C@@H]2CC[C@H](OC)C[C@@H]21)OCC ZINC000339486006 403384425 /nfs/dbraw/zinc/38/44/25/403384425.db2.gz BNSXZSNJLLJJDJ-JONQDZQNSA-N 0 0 311.422 2.153 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N[C@@H]1CCC[C@@H](CO)C1 ZINC000298509954 403401064 /nfs/dbraw/zinc/40/10/64/403401064.db2.gz BFBQCHJKCLRBEM-GDBMZVCRSA-N 0 0 316.401 2.049 10 30 DEEERN C=C(C)[C@H](Cc1nc(C2(COC)CCOCC2)no1)OCC ZINC000293273309 403431027 /nfs/dbraw/zinc/43/10/27/403431027.db2.gz VLLITHGRQFUHQC-ZDUSSCGKSA-N 0 0 310.394 2.288 10 30 DEEERN C=CC[C@H](CO)NC(=O)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000293350183 403449713 /nfs/dbraw/zinc/44/97/13/403449713.db2.gz BFSGUQZXXASCOI-MRXNPFEDSA-N 0 0 321.392 2.218 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H]1CCOc2ccc(F)cc21 ZINC000286789653 403546392 /nfs/dbraw/zinc/54/63/92/403546392.db2.gz JGELPRCAKUKNFY-CQSZACIVSA-N 0 0 320.364 2.190 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1nnc(OC)s1 ZINC000287005512 403551686 /nfs/dbraw/zinc/55/16/86/403551686.db2.gz DHQLBRFEFGYHEZ-GFCCVEGCSA-N 0 0 316.386 2.303 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCCCc1nc(C)cs1 ZINC000286301092 403494423 /nfs/dbraw/zinc/49/44/23/403494423.db2.gz PEGSAVLCORNJFK-UHFFFAOYSA-N 0 0 323.462 2.315 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccccc1Cn1ccnc1 ZINC000287089642 403554047 /nfs/dbraw/zinc/55/40/47/403554047.db2.gz MHNWMJMUYWLTLM-UHFFFAOYSA-N 0 0 305.381 2.210 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000345859939 403513236 /nfs/dbraw/zinc/51/32/36/403513236.db2.gz HCUIRXPGKDSNJE-LBPRGKRZSA-N 0 0 322.355 2.385 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](OC)C1 ZINC000287450436 403602331 /nfs/dbraw/zinc/60/23/31/403602331.db2.gz QOUDHZGINFSPLE-DLBZAZTESA-N 0 0 300.402 2.441 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000346040606 403571683 /nfs/dbraw/zinc/57/16/83/403571683.db2.gz AMAGJFPBNVOPQQ-NVXWUHKLSA-N 0 0 311.385 2.407 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000346040604 403571790 /nfs/dbraw/zinc/57/17/90/403571790.db2.gz AMAGJFPBNVOPQQ-DOTOQJQBSA-N 0 0 311.385 2.407 10 30 DEEERN C=CCNC(=O)c1ccc(N(C)Cc2nc(C)cs2)nc1 ZINC000301276094 403609296 /nfs/dbraw/zinc/60/92/96/403609296.db2.gz ITRMBEHLBXBBKN-UHFFFAOYSA-N 0 0 302.403 2.399 10 30 DEEERN C=CCN(CCC#N)C(=O)c1noc(-c2cccc(OC)c2)n1 ZINC000293983757 403616015 /nfs/dbraw/zinc/61/60/15/403616015.db2.gz XOZBDDNTGNUVMZ-UHFFFAOYSA-N 0 0 312.329 2.287 10 30 DEEERN COC(=O)[C@]1(C)CCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000301625620 403655674 /nfs/dbraw/zinc/65/56/74/403655674.db2.gz HBPHKHSFVABBSI-CYBMUJFWSA-N 0 0 313.279 2.361 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000287803075 403670427 /nfs/dbraw/zinc/67/04/27/403670427.db2.gz IQZFQUIALUEVGO-QGZVFWFLSA-N 0 0 323.396 2.072 10 30 DEEERN Cc1cc(C)c2ncc(C#N)c(NC[C@@H]3CN4CCN3CC4)c2c1 ZINC000301771609 403676752 /nfs/dbraw/zinc/67/67/52/403676752.db2.gz JTHCCBWWYAZFKB-MRXNPFEDSA-N 0 0 321.428 2.135 10 30 DEEERN CC#CCN(C)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000294348152 403710297 /nfs/dbraw/zinc/71/02/97/403710297.db2.gz AWARNDXJGQMQFN-UHFFFAOYSA-N 0 0 319.304 2.075 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)C[C@@H]1CCOC[C@H]1OC ZINC000295123622 403766983 /nfs/dbraw/zinc/76/69/83/403766983.db2.gz ZTELJCXJLHUHKF-BLLLJJGKSA-N 0 0 321.348 2.218 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](c1nc(C)cs1)C1CC1 ZINC000288032046 403713215 /nfs/dbraw/zinc/71/32/15/403713215.db2.gz LWLNBYFILXDALL-CYBMUJFWSA-N 0 0 321.446 2.443 10 30 DEEERN C=CCOCC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000340965714 403715557 /nfs/dbraw/zinc/71/55/57/403715557.db2.gz YAVXPORVGYXHGB-HOCLYGCPSA-N 0 0 308.809 2.404 10 30 DEEERN N#Cc1nc(N2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000302756660 403722285 /nfs/dbraw/zinc/72/22/85/403722285.db2.gz WWKXVOINARFHRZ-UHFFFAOYSA-N 0 0 309.329 2.188 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CC[C@H](O)C1 ZINC000288126639 403729802 /nfs/dbraw/zinc/72/98/02/403729802.db2.gz KKCDCHFOGYSAKK-ZACQAIPSSA-N 0 0 300.402 2.081 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000288798100 403771639 /nfs/dbraw/zinc/77/16/39/403771639.db2.gz ZWYNBJRMKWENKH-LBPRGKRZSA-N 0 0 320.437 2.158 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)C[C@H]1CCOC[C@@H]1OC ZINC000295088029 403755767 /nfs/dbraw/zinc/75/57/67/403755767.db2.gz WIJWNQFMEGNSPD-WBMJQRKESA-N 0 0 321.348 2.218 10 30 DEEERN C#CCC(C)(C)C(=O)NCCc1cnc2c(Cl)cnn2c1 ZINC000295235505 403806273 /nfs/dbraw/zinc/80/62/73/403806273.db2.gz APBRXZRRMSGXOV-UHFFFAOYSA-N 0 0 304.781 2.091 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000289027417 403811700 /nfs/dbraw/zinc/81/17/00/403811700.db2.gz MSPXEIODBVHSPO-QGZVFWFLSA-N 0 0 314.429 2.089 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCOC[C@H]1C ZINC000288825034 403776361 /nfs/dbraw/zinc/77/63/61/403776361.db2.gz VIFPCDGWOFJGBU-DJIMGWMZSA-N 0 0 300.402 2.345 10 30 DEEERN C#CC[C@H](NS(=O)(=O)[C@@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000295215672 403800008 /nfs/dbraw/zinc/80/00/08/403800008.db2.gz VDAUIRVVQVSXDG-IMJJTQAJSA-N 0 0 307.415 2.238 10 30 DEEERN C=CCN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)C1CC1 ZINC000361990541 403916499 /nfs/dbraw/zinc/91/64/99/403916499.db2.gz KLGAGNWYLXURDC-UHFFFAOYSA-N 0 0 302.374 2.309 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@@H]1SCCc2ccccc21 ZINC000344113332 403918251 /nfs/dbraw/zinc/91/82/51/403918251.db2.gz LZLWJGYMEQVKRE-HIFRSBDPSA-N 0 0 306.431 2.253 10 30 DEEERN C=C[C@H](C)NC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000351795326 403922779 /nfs/dbraw/zinc/92/27/79/403922779.db2.gz LHGZTTJAXFUTNT-ZBINZKHDSA-N 0 0 321.808 2.486 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N(C[C@@H](C)O)C(C)C)cc1 ZINC000362211878 403935329 /nfs/dbraw/zinc/93/53/29/403935329.db2.gz DUBMRSGVUKZAQS-CYBMUJFWSA-N 0 0 319.405 2.226 10 30 DEEERN C[C@@H]1CCOCCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000362257144 403939918 /nfs/dbraw/zinc/93/99/18/403939918.db2.gz MZYJQNBESOTQGG-SNVBAGLBSA-N 0 0 314.794 2.011 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C[C@H](C)CC(=O)OC ZINC000289514931 403982412 /nfs/dbraw/zinc/98/24/12/403982412.db2.gz CQGZTXWLGQIZFZ-HOCLYGCPSA-N 0 0 301.386 2.327 10 30 DEEERN N#Cc1cccc(N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)n1 ZINC000344201518 403973571 /nfs/dbraw/zinc/97/35/71/403973571.db2.gz YFUICTZVGVKNCG-QAPCUYQASA-N 0 0 319.368 2.265 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000348821426 404102128 /nfs/dbraw/zinc/10/21/28/404102128.db2.gz WBBWDZVFKISDMK-OWCLPIDISA-N 0 0 322.380 2.282 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)C[C@H]1CCCOC1)CCC2 ZINC000328657647 404124547 /nfs/dbraw/zinc/12/45/47/404124547.db2.gz PLINBANZBMWKNI-CABCVRRESA-N 0 0 320.437 2.341 10 30 DEEERN Cc1c([C@H]2OCC[C@@H]2NC(=O)N[C@H](C)c2ccco2)cnn1C ZINC000328614865 404115633 /nfs/dbraw/zinc/11/56/33/404115633.db2.gz AMZZTGNYARVCDL-RIEGTJTDSA-N 0 0 318.377 2.416 10 30 DEEERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](OC)c2ccccc2)C1 ZINC000328627013 404119529 /nfs/dbraw/zinc/11/95/29/404119529.db2.gz FQYZGIZWFSMWFR-XUJLQICISA-N 0 0 320.389 2.268 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)Nc3cnccc3C)cc2C1=O ZINC000354995067 404145025 /nfs/dbraw/zinc/14/50/25/404145025.db2.gz GUAQCMLFLRDZSB-UHFFFAOYSA-N 0 0 321.336 2.424 10 30 DEEERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCCNC1=O ZINC000328830023 404157753 /nfs/dbraw/zinc/15/77/53/404157753.db2.gz JRNSLMPLYHFNIH-GARJFASQSA-N 0 0 313.423 2.009 10 30 DEEERN C[C@](CO)(NC(=O)N[C@@H]1CCO[C@H]1C1CC1)C1CCCCC1 ZINC000328822114 404157904 /nfs/dbraw/zinc/15/79/04/404157904.db2.gz FZYZLKYUTOFRIZ-HLLBOEOZSA-N 0 0 310.438 2.389 10 30 DEEERN Cc1cnn([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCO[C@H]3C3CC3)C2)c1 ZINC000328862828 404162869 /nfs/dbraw/zinc/16/28/69/404162869.db2.gz ZUWFQUVSHAXZJC-OAGGEKHMSA-N 0 0 318.421 2.310 10 30 DEEERN N#C[C@H]1CN(Cc2cn3cc(Cl)ccc3n2)CCN1C1CC1 ZINC000363498079 404169859 /nfs/dbraw/zinc/16/98/59/404169859.db2.gz COWUAYBSIVSCPY-HNNXBMFYSA-N 0 0 315.808 2.160 10 30 DEEERN C=CCCCNC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000344529954 404207277 /nfs/dbraw/zinc/20/72/77/404207277.db2.gz ZGBZGMCKJVHENJ-ZDUSSCGKSA-N 0 0 324.446 2.123 10 30 DEEERN C=CCN(CCOC)C(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000349908157 404255595 /nfs/dbraw/zinc/25/55/95/404255595.db2.gz BVSBQUIMSMEACU-UHFFFAOYSA-N 0 0 302.374 2.191 10 30 DEEERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ocnc1C1CC1 ZINC000329225876 404271187 /nfs/dbraw/zinc/27/11/87/404271187.db2.gz GXAJIVVACCLTGP-GHMZBOCLSA-N 0 0 312.391 2.212 10 30 DEEERN COC[C@H]1C[C@@H](OC)CN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000344653148 404286461 /nfs/dbraw/zinc/28/64/61/404286461.db2.gz URGMJZMPFVIWHT-HZPDHXFCSA-N 0 0 314.385 2.118 10 30 DEEERN CN(C(=O)NCC1(C)Cc2ccccc2C1)[C@@H]1CCNC1=O ZINC000329089855 404227082 /nfs/dbraw/zinc/22/70/82/404227082.db2.gz IREUNZIDNLOYOJ-CQSZACIVSA-N 0 0 301.390 2.366 10 30 DEEERN Cc1ccc(NS(C)(=O)=O)c(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1 ZINC000329483301 404352505 /nfs/dbraw/zinc/35/25/05/404352505.db2.gz FCMVACASEIWFGX-LERXQTSPSA-N 0 0 324.402 2.380 10 30 DEEERN C#CCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000364082383 404311401 /nfs/dbraw/zinc/31/14/01/404311401.db2.gz RNWUTHNFAMYBEP-JYJNAYRXSA-N 0 0 312.417 2.144 10 30 DEEERN Cc1nc(N2CCOCC2)ccc1NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000329365955 404316227 /nfs/dbraw/zinc/31/62/27/404316227.db2.gz GRGJPWNZRYBLPD-DAXOMENPSA-N 0 0 317.389 2.240 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1nc(C)cs1)C(F)(F)F ZINC000296795058 404325282 /nfs/dbraw/zinc/32/52/82/404325282.db2.gz CJSGLNFDUQTFHV-BDAKNGLRSA-N 0 0 323.340 2.291 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1n1cccn1)OCC ZINC000342114773 404375341 /nfs/dbraw/zinc/37/53/41/404375341.db2.gz CTMJTJFHYRKACO-JYYAWHABSA-N 0 0 321.421 2.089 10 30 DEEERN CNC(=O)[C@@]1(C)CCN(C(=O)Nc2cn(C)nc2C2CC2)C1 ZINC000329617045 404394887 /nfs/dbraw/zinc/39/48/87/404394887.db2.gz LOHYEOJRGXGPHL-HNNXBMFYSA-N 0 0 305.382 2.141 10 30 DEEERN Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC3(CCC3)[C@H]1C1CC1)CC2 ZINC000329624405 404398121 /nfs/dbraw/zinc/39/81/21/404398121.db2.gz SJHHOMIFZAACEM-UKRRQHHQSA-N 0 0 315.421 2.080 10 30 DEEERN O=C(NC[C@@H]1COc2ccccc21)N1CCO[C@@H](C2CC2)C1 ZINC000329658897 404411599 /nfs/dbraw/zinc/41/15/99/404411599.db2.gz NWABPUWLKMXNBD-CZUORRHYSA-N 0 0 302.374 2.187 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000342173971 404419658 /nfs/dbraw/zinc/41/96/58/404419658.db2.gz CUADPFPTQSJOAH-XEZPLFJOSA-N 0 0 316.401 2.196 10 30 DEEERN O=C(C[C@@H]1CCCCO1)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000329988965 404518151 /nfs/dbraw/zinc/51/81/51/404518151.db2.gz USJJJHHAUOBRFB-IHRRRGAJSA-N 0 0 322.384 2.309 10 30 DEEERN N#C[C@H]1CN(C(=O)[C@@H]2CCCc3ccccc32)CCN1C1CC1 ZINC000370971209 404432423 /nfs/dbraw/zinc/43/24/23/404432423.db2.gz BTSDKTHAYDAHIH-FUHWJXTLSA-N 0 0 309.413 2.305 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N(CCOC)[C@@H]1CCOC1 ZINC000350731081 404453059 /nfs/dbraw/zinc/45/30/59/404453059.db2.gz YHLWKWPHMFOYQB-OAHLLOKOSA-N 0 0 322.453 2.294 10 30 DEEERN C=CC1CCN(C(=O)c2nn(CC)c3ccccc3c2=O)CC1 ZINC000344929901 404453447 /nfs/dbraw/zinc/45/34/47/404453447.db2.gz PVGQFPWLEYZGCN-UHFFFAOYSA-N 0 0 311.385 2.455 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N(CC)CCC1CC1 ZINC000350741478 404458725 /nfs/dbraw/zinc/45/87/25/404458725.db2.gz PLQCKWXJRYQZLP-AWEZNQCLSA-N 0 0 306.410 2.178 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000330207897 404586173 /nfs/dbraw/zinc/58/61/73/404586173.db2.gz ARZLRINYWSULRX-BRWVUGGUSA-N 0 0 317.385 2.273 10 30 DEEERN C#CCCCCNC(=O)N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000373784400 404588846 /nfs/dbraw/zinc/58/88/46/404588846.db2.gz ATNICJYSCAZSKG-VYDXJSESSA-N 0 0 308.422 2.158 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(C)(C)c1cnc[nH]1 ZINC000342371497 404538167 /nfs/dbraw/zinc/53/81/67/404538167.db2.gz KTNMLPVMMFNKNL-UHFFFAOYSA-N 0 0 317.389 2.378 10 30 DEEERN C=CCOc1ccc(CN2CC(F)(F)C[C@H]2CO)cc1OC ZINC000364836813 404538227 /nfs/dbraw/zinc/53/82/27/404538227.db2.gz CPMZWJAIXGQJME-ZDUSSCGKSA-N 0 0 313.344 2.462 10 30 DEEERN C[C@@H]1CCC[C@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000373621157 404549118 /nfs/dbraw/zinc/54/91/18/404549118.db2.gz FIJMOJJCLFLBIY-YCPHGPKFSA-N 0 0 304.438 2.337 10 30 DEEERN Cn1c(CNC(=O)N2CCO[C@@H](C3CC3)C2)nc2ccccc21 ZINC000330172421 404573225 /nfs/dbraw/zinc/57/32/25/404573225.db2.gz GKIDNFLTBLHWKJ-OAHLLOKOSA-N 0 0 314.389 2.098 10 30 DEEERN Cc1cccc(Br)c1C(=O)N[C@@H]1CCC(=O)NC1 ZINC000330366805 404638966 /nfs/dbraw/zinc/63/89/66/404638966.db2.gz CPFKPUSSVXCGSY-SECBINFHSA-N 0 0 311.179 2.341 10 30 DEEERN C=CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C2CCC2)C1 ZINC000414515224 404664752 /nfs/dbraw/zinc/66/47/52/404664752.db2.gz LNRFFZOVTFHSSU-HNNXBMFYSA-N 0 0 313.405 2.465 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(C)cnc1Br ZINC000291950091 404596551 /nfs/dbraw/zinc/59/65/51/404596551.db2.gz BNTMOAXAKZDKIP-SECBINFHSA-N 0 0 314.183 2.211 10 30 DEEERN Cc1cc(=O)[nH]cc1C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000330257802 404603054 /nfs/dbraw/zinc/60/30/54/404603054.db2.gz LVEHAAHZKDSWLY-IAQYHMDHSA-N 0 0 308.403 2.455 10 30 DEEERN C=CCn1c(C(C)C)nnc1N(C[C@@H]1CCC(=O)N1)C(C)C ZINC000414510338 404663543 /nfs/dbraw/zinc/66/35/43/404663543.db2.gz DTZKQSAWVIRIHT-ZDUSSCGKSA-N 0 0 305.426 2.081 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)Cc1ccc(OC)cc1 ZINC000297795848 404626108 /nfs/dbraw/zinc/62/61/08/404626108.db2.gz IRLWRQNSAAEXEF-UHFFFAOYSA-N 0 0 304.390 2.078 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)Cc1nnnn1C(C)(C)C ZINC000352795737 404629153 /nfs/dbraw/zinc/62/91/53/404629153.db2.gz FBCIRUUGIUYGIT-UHFFFAOYSA-N 0 0 319.409 2.092 10 30 DEEERN CC#CCCCC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000365509343 404679966 /nfs/dbraw/zinc/67/99/66/404679966.db2.gz APWPLFIFAHAHIS-HNNXBMFYSA-N 0 0 302.422 2.007 10 30 DEEERN C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000374451942 404706531 /nfs/dbraw/zinc/70/65/31/404706531.db2.gz WZTCTBJUYMJSKM-HUUCEWRRSA-N 0 0 311.451 2.145 10 30 DEEERN C=CCSCCNC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000357362099 404732900 /nfs/dbraw/zinc/73/29/00/404732900.db2.gz RSJGUCMNXRQPKP-ZDUSSCGKSA-N 0 0 322.430 2.435 10 30 DEEERN COc1ccc(F)c(NC(=O)C(=O)NCC(C)(C)CCC#N)c1 ZINC000358000302 404750668 /nfs/dbraw/zinc/75/06/68/404750668.db2.gz BRQTYXNAAQWGBF-UHFFFAOYSA-N 0 0 321.352 2.219 10 30 DEEERN C[C@@H](NC(=O)[C@@H](C#N)c1nccn1Cc1ccccc1)C1CC1 ZINC000358081504 404753434 /nfs/dbraw/zinc/75/34/34/404753434.db2.gz WXKPJYSMKJCWPU-CJNGLKHVSA-N 0 0 308.385 2.453 10 30 DEEERN C#CCCCCC(=O)N(C)C1CCN(c2cnccn2)CC1 ZINC000366083779 404754031 /nfs/dbraw/zinc/75/40/31/404754031.db2.gz KXBZMMRCUGGNPB-UHFFFAOYSA-N 0 0 300.406 2.097 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000358308584 404760132 /nfs/dbraw/zinc/76/01/32/404760132.db2.gz JRNNXAGJZVTLRE-AWEZNQCLSA-N 0 0 303.406 2.341 10 30 DEEERN C=CCOc1ccc(CN2CC(=O)N[C@@H]3CCCC[C@H]32)cc1 ZINC000352973305 404708147 /nfs/dbraw/zinc/70/81/47/404708147.db2.gz ABZLHYNZCVZHJX-IAGOWNOFSA-N 0 0 300.402 2.494 10 30 DEEERN C=C(C)Cn1c(CC2CC2)nnc1N(CCOC)[C@@H]1CCOC1 ZINC000359111244 404784365 /nfs/dbraw/zinc/78/43/65/404784365.db2.gz VSGNEBFWCPGCKF-OAHLLOKOSA-N 0 0 320.437 2.048 10 30 DEEERN C=CCCCCNC(=O)NC(C)(C)c1cc(C(=O)OC)on1 ZINC000359185202 404786483 /nfs/dbraw/zinc/78/64/83/404786483.db2.gz ATQATYWUDRBCBC-UHFFFAOYSA-N 0 0 309.366 2.352 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000359225032 404787254 /nfs/dbraw/zinc/78/72/54/404787254.db2.gz LOSIVXOKRPTPJZ-ZDUSSCGKSA-N 0 0 306.406 2.450 10 30 DEEERN C#Cc1ccc(CN2CCCC[C@@H]2CCS(C)(=O)=O)cc1 ZINC000366531906 404808629 /nfs/dbraw/zinc/80/86/29/404808629.db2.gz BEUIWAJWYHJTKP-QGZVFWFLSA-N 0 0 305.443 2.457 10 30 DEEERN Cn1c(CC#N)nnc1Sc1ncnc2c(F)cccc12 ZINC000360114213 404819151 /nfs/dbraw/zinc/81/91/51/404819151.db2.gz FWIHOFKRIRSFLG-UHFFFAOYSA-N 0 0 300.322 2.115 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000366715100 404835743 /nfs/dbraw/zinc/83/57/43/404835743.db2.gz ZHBBCNBBMKTYJP-HOCLYGCPSA-N 0 0 318.421 2.280 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC[C@H](O)C2(C)C)cc1OC ZINC000361160792 404952767 /nfs/dbraw/zinc/95/27/67/404952767.db2.gz CABUXCYDNIVPST-HNNXBMFYSA-N 0 0 305.374 2.245 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN[C@@H](Cc1ccccc1)C(=O)OCC ZINC000424121311 405014232 /nfs/dbraw/zinc/01/42/32/405014232.db2.gz FUQMYXPHCRPNOI-ULQDDVLXSA-N 0 0 303.402 2.342 10 30 DEEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC000424132128 405017353 /nfs/dbraw/zinc/01/73/53/405017353.db2.gz XMORSAJFURYISK-RYUDHWBXSA-N 0 0 322.434 2.032 10 30 DEEERN C=C(CNC(=O)NC1CCC(C(N)=O)CC1)c1ccccc1 ZINC000353952391 404975793 /nfs/dbraw/zinc/97/57/93/404975793.db2.gz PJQDQPABVAEILN-UHFFFAOYSA-N 0 0 301.390 2.043 10 30 DEEERN C=CCOc1ccc(CNC(=O)c2cn(C(C)C)nn2)cc1 ZINC000354126713 405057011 /nfs/dbraw/zinc/05/70/11/405057011.db2.gz KVEQHWKFGUWHIW-UHFFFAOYSA-N 0 0 300.362 2.354 10 30 DEEERN CC#CCCNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000361507073 405106780 /nfs/dbraw/zinc/10/67/80/405106780.db2.gz BZLDERXCDLPXJL-GFCCVEGCSA-N 0 0 307.344 2.256 10 30 DEEERN C=CCC1(C(=O)N2CCC(c3nc(C)no3)CC2)CCOCC1 ZINC000424588697 405124396 /nfs/dbraw/zinc/12/43/96/405124396.db2.gz BWMWXTPKBJSBMB-UHFFFAOYSA-N 0 0 319.405 2.457 10 30 DEEERN C=CCC1(C(=O)Nc2ccc(C(N)=O)c(F)c2)CCOCC1 ZINC000424668201 405144947 /nfs/dbraw/zinc/14/49/47/405144947.db2.gz SLRMJPKTHWUKSM-UHFFFAOYSA-N 0 0 306.337 2.236 10 30 DEEERN C=CCC1(C(=O)NC[C@@H](O)Cc2ccccc2)CCOCC1 ZINC000424721084 405159059 /nfs/dbraw/zinc/15/90/59/405159059.db2.gz UULCTEGRVDWLTC-INIZCTEOSA-N 0 0 303.402 2.079 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000452129271 405186828 /nfs/dbraw/zinc/18/68/28/405186828.db2.gz ZDDXRSSVNWNAOF-LLVKDONJSA-N 0 0 315.295 2.079 10 30 DEEERN C=CCC1(C(=O)N2CC[C@@H](n3cc(C)cn3)C2)CCOCC1 ZINC000424834420 405192427 /nfs/dbraw/zinc/19/24/27/405192427.db2.gz PYUVJKYCQKNWTI-OAHLLOKOSA-N 0 0 303.406 2.338 10 30 DEEERN C=CCC1(C(=O)N[C@@H](CC(N)=O)c2ccccc2)CCOCC1 ZINC000424858546 405197871 /nfs/dbraw/zinc/19/78/71/405197871.db2.gz YHLLFUUMISUKIY-HNNXBMFYSA-N 0 0 316.401 2.092 10 30 DEEERN C=CCC1(C(=O)NCc2nnc(C(C)(C)C)[nH]2)CCOCC1 ZINC000424885734 405206005 /nfs/dbraw/zinc/20/60/05/405206005.db2.gz DFRMFHVZXBMCJZ-UHFFFAOYSA-N 0 0 306.410 2.091 10 30 DEEERN C=CCC1(C(=O)N2CC[C@@H](c3nccn3C)C2)CCOCC1 ZINC000424753352 405168733 /nfs/dbraw/zinc/16/87/33/405168733.db2.gz PCUYCEHERXHYAC-CQSZACIVSA-N 0 0 303.406 2.109 10 30 DEEERN C=CC[C@@H](CO)Nc1ncc(C)cc1I ZINC000425246654 405263382 /nfs/dbraw/zinc/26/33/82/405263382.db2.gz MALMFCRUVOZHMM-VIFPVBQESA-N 0 0 318.158 2.344 10 30 DEEERN C=CCC[C@H]1NC(=O)N(CCOc2ccc(F)cc2F)C1=O ZINC000420001505 405279155 /nfs/dbraw/zinc/27/91/55/405279155.db2.gz QAPYXEJQGBUZFE-GFCCVEGCSA-N 0 0 310.300 2.230 10 30 DEEERN C=C(C)CCNC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000452719394 405232865 /nfs/dbraw/zinc/23/28/65/405232865.db2.gz BRUNUNIZOAKOLR-INIZCTEOSA-N 0 0 304.390 2.345 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](OC)c1ccccc1 ZINC000425421527 405288069 /nfs/dbraw/zinc/28/80/69/405288069.db2.gz VLXYTXFHGWBRLN-JYJNAYRXSA-N 0 0 304.390 2.264 10 30 DEEERN C=CCCS(=O)(=O)N1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000425209223 405258495 /nfs/dbraw/zinc/25/84/95/405258495.db2.gz OJKWJOGZTUVWMQ-QWHCGFSZSA-N 0 0 317.451 2.335 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)cc1Cl ZINC000425788689 405319616 /nfs/dbraw/zinc/31/96/16/405319616.db2.gz VEWLPOHGTWHZDA-FZMZJTMJSA-N 0 0 322.792 2.294 10 30 DEEERN CC#CCNC(=O)C(=O)Nc1c(F)cc(Cl)c(C)c1F ZINC000440618754 405319973 /nfs/dbraw/zinc/31/99/73/405319973.db2.gz WMFSWKZQTIXJED-UHFFFAOYSA-N 0 0 300.692 2.005 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C)Oc1ccccc1 ZINC000425444987 405291304 /nfs/dbraw/zinc/29/13/04/405291304.db2.gz CPLXCBMWGRSTEE-DZKIICNBSA-N 0 0 304.390 2.344 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000454061577 405295437 /nfs/dbraw/zinc/29/54/37/405295437.db2.gz SRGBNXKMXTYEBF-ZDUSSCGKSA-N 0 0 320.364 2.085 10 30 DEEERN C=CCC1(C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)CCOCC1 ZINC000425543174 405300627 /nfs/dbraw/zinc/30/06/27/405300627.db2.gz AZBBYUKXYDEMAJ-HRCADAONSA-N 0 0 323.433 2.154 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](COC)c1ccc(C)o1 ZINC000425568054 405304021 /nfs/dbraw/zinc/30/40/21/405304021.db2.gz VJVBCECMZPHGCZ-IHRRRGAJSA-N 0 0 308.378 2.166 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CCOc1ccc(F)cc1 ZINC000425570529 405304045 /nfs/dbraw/zinc/30/40/45/405304045.db2.gz GXYQHXVSNWKNEH-BBRMVZONSA-N 0 0 322.380 2.437 10 30 DEEERN C=CCCCN(C)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000455141133 405380421 /nfs/dbraw/zinc/38/04/21/405380421.db2.gz OLZGLKHLRFWTPZ-ZDUSSCGKSA-N 0 0 322.430 2.165 10 30 DEEERN C=CC(C)(C)CNC(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000455141110 405380553 /nfs/dbraw/zinc/38/05/53/405380553.db2.gz OLSCJNXNSLPXFF-LBPRGKRZSA-N 0 0 322.430 2.069 10 30 DEEERN COc1cccc(C)c1NC(=O)C(=O)N1CCC(C)(C#N)CC1 ZINC000446698866 405389426 /nfs/dbraw/zinc/38/94/26/405389426.db2.gz ZLHJHRSVHFBSMB-UHFFFAOYSA-N 0 0 315.373 2.094 10 30 DEEERN Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(C#N)n2C)c(C)c1 ZINC000448586259 405423149 /nfs/dbraw/zinc/42/31/49/405423149.db2.gz WCRLOWRHWMRILS-UHFFFAOYSA-N 0 0 324.384 2.191 10 30 DEEERN Cc1ccc2c(n1)c(=O)c(C#N)cn2Cc1ncc(C2CC2)o1 ZINC000556275110 405469392 /nfs/dbraw/zinc/46/93/92/405469392.db2.gz RHKVJVDOKILLNX-UHFFFAOYSA-N 0 0 306.325 2.490 10 30 DEEERN C=CCn1c(N2CC[C@H](C)[C@@H](OC)C2)nnc1[C@@]1(C)CCCO1 ZINC000556444506 405482091 /nfs/dbraw/zinc/48/20/91/405482091.db2.gz AANYSGHPLMTHKJ-GRDNDAEWSA-N 0 0 320.437 2.351 10 30 DEEERN C=C1CC(C)(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000633245005 405524176 /nfs/dbraw/zinc/52/41/76/405524176.db2.gz KPHWOIODRIEVCP-GFCCVEGCSA-N 0 0 305.399 2.030 10 30 DEEERN C=CC[N@@H+](CC[C@H]1CCNC1=O)Cc1cccc([N+](=O)[O-])c1 ZINC000577960824 405546298 /nfs/dbraw/zinc/54/62/98/405546298.db2.gz ZVYCPKGBNLXJQA-CQSZACIVSA-N 0 0 303.362 2.109 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000633374570 405604826 /nfs/dbraw/zinc/60/48/26/405604826.db2.gz FTEHHAWSHGFZEY-WDEREUQCSA-N 0 0 308.344 2.401 10 30 DEEERN C=CCN1CC[C@@H](N(C)C[C@@H](OC)c2ccc(F)cc2)C1=O ZINC000528493832 405634321 /nfs/dbraw/zinc/63/43/21/405634321.db2.gz IMLGALFRGQWRGB-HZPDHXFCSA-N 0 0 306.381 2.232 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCS(=O)(=O)CC[C@H]1C ZINC000633411026 405628594 /nfs/dbraw/zinc/62/85/94/405628594.db2.gz HOZCQMAKKOMJCB-CYBMUJFWSA-N 0 0 316.467 2.197 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000633410761 405628689 /nfs/dbraw/zinc/62/86/89/405628689.db2.gz BWZAYXCFPHABDC-CQSZACIVSA-N 0 0 322.453 2.224 10 30 DEEERN C[C@@H]1C[C@@H]1CNC(=O)COc1cccc(Br)c1C#N ZINC000449597135 405632319 /nfs/dbraw/zinc/63/23/19/405632319.db2.gz DCAJORBYCYPUHJ-NXEZZACHSA-N 0 0 323.190 2.472 10 30 DEEERN C[C@@H]1C[C@H]1CNC(=O)COc1cccc(Br)c1C#N ZINC000449597138 405632882 /nfs/dbraw/zinc/63/28/82/405632882.db2.gz DCAJORBYCYPUHJ-ZJUUUORDSA-N 0 0 323.190 2.472 10 30 DEEERN CCC[C@@H]1CCCC[C@H]1CNC(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000456857233 405592614 /nfs/dbraw/zinc/59/26/14/405592614.db2.gz JXNJYCCTARLRTK-MCIONIFRSA-N 0 0 303.410 2.433 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1c(F)cncc1Br ZINC000633360832 405595037 /nfs/dbraw/zinc/59/50/37/405595037.db2.gz GMKSVXSAMCWREP-MRVPVSSYSA-N 0 0 317.158 2.040 10 30 DEEERN C=CC(C)(C)CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000458988897 405679819 /nfs/dbraw/zinc/67/98/19/405679819.db2.gz OKSYYKJOIOTIRQ-KBPBESRZSA-N 0 0 310.438 2.066 10 30 DEEERN C=C(C)CCNC(=O)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000458989188 405680451 /nfs/dbraw/zinc/68/04/51/405680451.db2.gz AWESQBOPXJTZFL-WBVHZDCISA-N 0 0 306.381 2.462 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NCCC[C@H]1CCCC[C@@H]1O ZINC000459042194 405709712 /nfs/dbraw/zinc/70/97/12/405709712.db2.gz MYGADSRREOLBDI-WCVJEAGWSA-N 0 0 310.438 2.351 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000459038247 405707694 /nfs/dbraw/zinc/70/76/94/405707694.db2.gz WEEANKWBYUWYIH-MCIONIFRSA-N 0 0 324.421 2.093 10 30 DEEERN C=CCOc1ccc(C(=O)NC(C)(C)c2cn(C)nn2)cc1 ZINC000636107318 405745041 /nfs/dbraw/zinc/74/50/41/405745041.db2.gz NANMJANIQNTWAY-UHFFFAOYSA-N 0 0 300.362 2.045 10 30 DEEERN CC#CC[C@H](CO)NC(=O)c1cccc(NCc2ccccn2)c1 ZINC000636112262 405749250 /nfs/dbraw/zinc/74/92/50/405749250.db2.gz QBAAZQAXOJECBM-GOSISDBHSA-N 0 0 323.396 2.198 10 30 DEEERN C=C[C@H](C)ONC(=O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC000529511302 405759977 /nfs/dbraw/zinc/75/99/77/405759977.db2.gz IGTPEDREKLXHQX-QMMMGPOBSA-N 0 0 303.284 2.474 10 30 DEEERN CN1C[C@@H](NC(=O)c2cccc(C#N)c2)CC[C@H]1C(F)(F)F ZINC000583618081 405776546 /nfs/dbraw/zinc/77/65/46/405776546.db2.gz APRDKUOSZUGNOF-STQMWFEESA-N 0 0 311.307 2.313 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@]1(C)Oc2ccccc2NC1=O ZINC000633668977 405778609 /nfs/dbraw/zinc/77/86/09/405778609.db2.gz JFDUEGSRPKIACT-KRWDZBQOSA-N 0 0 302.374 2.495 10 30 DEEERN C[C@H](NC(=O)Cc1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1C ZINC000530917300 405882385 /nfs/dbraw/zinc/88/23/85/405882385.db2.gz YBWYKMCDEOHCCL-KBPBESRZSA-N 0 0 313.401 2.006 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCc1cc(=O)[nH]c(C2CCC2)n1)OCC ZINC000636320789 405889520 /nfs/dbraw/zinc/88/95/20/405889520.db2.gz TXDDWIQJPVSLPA-CQSZACIVSA-N 0 0 319.405 2.437 10 30 DEEERN C=C(C)Cn1c(N2CC[C@H](COC)C2)nnc1[C@@]1(C)CCCO1 ZINC000584214273 405849296 /nfs/dbraw/zinc/84/92/96/405849296.db2.gz PULGFUYBEXLWHZ-WMLDXEAASA-N 0 0 320.437 2.353 10 30 DEEERN C=CCCC(C)(C)CNC(=O)[C@H]1COCCN1CC(F)F ZINC000633964915 405933612 /nfs/dbraw/zinc/93/36/12/405933612.db2.gz GSDUKLVHTXOIEZ-GFCCVEGCSA-N 0 0 304.381 2.061 10 30 DEEERN C[C@@H](NC(=O)Cc1cccc(C#N)c1)c1ccc(NC(N)=O)cc1 ZINC000531385866 405952846 /nfs/dbraw/zinc/95/28/46/405952846.db2.gz MPJAWLSAWSNMCQ-GFCCVEGCSA-N 0 0 322.368 2.469 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)c1ccccn1 ZINC000636459306 405968966 /nfs/dbraw/zinc/96/89/66/405968966.db2.gz FFNDWTJYPKQSRR-CYBMUJFWSA-N 0 0 303.406 2.367 10 30 DEEERN N#Cc1cc(Br)cnc1N1CCO[C@@H](C2CC2)C1 ZINC000450460018 405908653 /nfs/dbraw/zinc/90/86/53/405908653.db2.gz YYJNWWLNFHXTAG-GFCCVEGCSA-N 0 0 308.179 2.331 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1cnc(C)s1 ZINC000636604706 406023770 /nfs/dbraw/zinc/02/37/70/406023770.db2.gz SNOUCQWLLQFARF-UHFFFAOYSA-N 0 0 309.435 2.176 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(Cc2ccsc2)CC1 ZINC000562359592 405992869 /nfs/dbraw/zinc/99/28/69/405992869.db2.gz FPFGFEAXRQYSSU-HZPDHXFCSA-N 0 0 320.458 2.374 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc(F)cc1F ZINC000636510260 405993909 /nfs/dbraw/zinc/99/39/09/405993909.db2.gz AQPMTJXDTKTSSO-UHFFFAOYSA-N 0 0 310.344 2.300 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NC[C@H](C)c1ncc(C)s1 ZINC000636842579 406096832 /nfs/dbraw/zinc/09/68/32/406096832.db2.gz DTVLTILSZAJRSG-NSHDSACASA-N 0 0 323.462 2.390 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)c1ccc2c(c1)OCO2 ZINC000567581924 406099335 /nfs/dbraw/zinc/09/93/35/406099335.db2.gz VSRQQALRJLAZFE-JSGCOSHPSA-N 0 0 317.385 2.400 10 30 DEEERN CC(C)N(Cc1ccccc1)C(=O)C(=O)N(C)C[C@H](C)C#N ZINC000459787233 406045044 /nfs/dbraw/zinc/04/50/44/406045044.db2.gz OXUGBPPZBXQWHP-CQSZACIVSA-N 0 0 301.390 2.042 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1ccncc1C ZINC000636697397 406057070 /nfs/dbraw/zinc/05/70/70/406057070.db2.gz ZYRGHASISUYHPH-UHFFFAOYSA-N 0 0 303.406 2.115 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000459819145 406058105 /nfs/dbraw/zinc/05/81/05/406058105.db2.gz SWSVNAIKLNBNKO-IBGZPJMESA-N 0 0 312.413 2.377 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCc1cc(F)ccc1F ZINC000636710335 406059568 /nfs/dbraw/zinc/05/95/68/406059568.db2.gz DMTILZDQNBOBEZ-UHFFFAOYSA-N 0 0 324.371 2.342 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1cc(F)cc(F)c1 ZINC000564077266 406062568 /nfs/dbraw/zinc/06/25/68/406062568.db2.gz DWXVRESMEAEKPK-WFASDCNBSA-N 0 0 310.344 2.398 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000565639069 406076280 /nfs/dbraw/zinc/07/62/80/406076280.db2.gz ZXIBVEHRYHZRPS-WBVHZDCISA-N 0 0 311.385 2.388 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CC(C)(C)C[C@@H]1C ZINC000565644244 406076501 /nfs/dbraw/zinc/07/65/01/406076501.db2.gz IOMFQTMONZBOSE-QWHCGFSZSA-N 0 0 306.410 2.177 10 30 DEEERN C=C[C@H]1CCCCN1S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632285374 406079002 /nfs/dbraw/zinc/07/90/02/406079002.db2.gz OZQOUMMHPCVORP-VIFPVBQESA-N 0 0 323.340 2.168 10 30 DEEERN C=C(C)CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000516946657 406113826 /nfs/dbraw/zinc/11/38/26/406113826.db2.gz YLAOCBBIQGHOSG-KFWWJZLASA-N 0 0 300.406 2.306 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H](C)c1c(C)noc1C ZINC000636891035 406114355 /nfs/dbraw/zinc/11/43/55/406114355.db2.gz YWJJAQCLRXPQGA-LLVKDONJSA-N 0 0 321.421 2.230 10 30 DEEERN C=C(C)COCCNC(=O)N[C@](C)(CO)Cc1ccccc1F ZINC000636930238 406125355 /nfs/dbraw/zinc/12/53/55/406125355.db2.gz FOJOIQMRJXZMMI-KRWDZBQOSA-N 0 0 324.396 2.011 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@@H]1C[C@H](C)O[C@H]1C ZINC000636965891 406135051 /nfs/dbraw/zinc/13/50/51/406135051.db2.gz RZZWEPKYJOGEFW-IHRRRGAJSA-N 0 0 310.438 2.025 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2c(CC)c(CC)n[nH]c2=O)C1 ZINC000636976068 406138018 /nfs/dbraw/zinc/13/80/18/406138018.db2.gz XVSUQALHWXGHQI-GFCCVEGCSA-N 0 0 318.421 2.415 10 30 DEEERN C=CCOc1cccc(NC(=O)N2C[C@@H](OC)C[C@@]2(C)CO)c1 ZINC000639586586 406157355 /nfs/dbraw/zinc/15/73/55/406157355.db2.gz IHLWHMXYOOOBIQ-RDJZCZTQSA-N 0 0 320.389 2.255 10 30 DEEERN C=CCCCCCNC(=O)N1CCN(c2cnccn2)CC1 ZINC000568187915 406206698 /nfs/dbraw/zinc/20/66/98/406206698.db2.gz RERKNFJIIMCGBW-UHFFFAOYSA-N 0 0 303.410 2.055 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000568194178 406209473 /nfs/dbraw/zinc/20/94/73/406209473.db2.gz XZOBZHXJEQYSIT-OCCSQVGLSA-N 0 0 314.389 2.404 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CCCC[C@H]1CC ZINC000568594540 406219575 /nfs/dbraw/zinc/21/95/75/406219575.db2.gz WHRCYMGDWNYOIR-CYBMUJFWSA-N 0 0 315.425 2.337 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@H](OC)C[C@]1(C)CO ZINC000637264993 406234703 /nfs/dbraw/zinc/23/47/03/406234703.db2.gz OWWGQJAFINHOQF-PNBKFKSVSA-N 0 0 310.438 2.303 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCC(C)(C)[C@]1(O)CCCOC1 ZINC000637325712 406259420 /nfs/dbraw/zinc/25/94/20/406259420.db2.gz ZFDQPBYWZCMKSY-KRWDZBQOSA-N 0 0 312.454 2.456 10 30 DEEERN C=C(C)CNC(=O)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000488537762 406328877 /nfs/dbraw/zinc/32/88/77/406328877.db2.gz BIYGCGFNQBWJKL-OAHLLOKOSA-N 0 0 319.449 2.387 10 30 DEEERN C=C1CC(C)(C(=O)N[C@H](CO)c2nc(-c3ccccc3)no2)C1 ZINC000632994932 406348757 /nfs/dbraw/zinc/34/87/57/406348757.db2.gz JKSTTWCOWHYCQJ-CYBMUJFWSA-N 0 0 313.357 2.243 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCc1c(C)[nH]c2ccc(F)cc21 ZINC000637445456 406309214 /nfs/dbraw/zinc/30/92/14/406309214.db2.gz DGGURWUVEJECIT-ZDUSSCGKSA-N 0 0 319.380 2.394 10 30 DEEERN C=C1CC(C)(C(=O)N(C)CCn2cc(Br)cn2)C1 ZINC000633124608 406386445 /nfs/dbraw/zinc/38/64/45/406386445.db2.gz OJMLEPRCBXVWJL-UHFFFAOYSA-N 0 0 312.211 2.460 10 30 DEEERN C=CCN(CCOC)C(=O)NCc1cccc2c1CCOC2 ZINC000637693063 406389812 /nfs/dbraw/zinc/38/98/12/406389812.db2.gz PJKFRQTYRICEGT-UHFFFAOYSA-N 0 0 304.390 2.103 10 30 DEEERN CC#CCNC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000633142218 406394476 /nfs/dbraw/zinc/39/44/76/406394476.db2.gz ODLNLYAJKJXZMT-BFHYXJOUSA-N 0 0 319.202 2.410 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000522953479 406414392 /nfs/dbraw/zinc/41/43/92/406414392.db2.gz BWCFDKFGBRAZNP-UHFFFAOYSA-N 0 0 311.385 2.381 10 30 DEEERN C=CCC[C@@H](NC(=O)c1cnn2c1C[C@H](C)CC2)C(=O)OCC ZINC000570635183 406419682 /nfs/dbraw/zinc/41/96/82/406419682.db2.gz YSWPEPNFAQTOIF-TZMCWYRMSA-N 0 0 319.405 2.093 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@@H](C)CS(=O)(=O)CC ZINC000633088548 406378156 /nfs/dbraw/zinc/37/81/56/406378156.db2.gz AOSLDOHSSFFPGI-LBPRGKRZSA-N 0 0 304.456 2.101 10 30 DEEERN N#Cc1cnccc1NCCC1CCN(CC(F)(F)F)CC1 ZINC000548154187 406486986 /nfs/dbraw/zinc/48/69/86/406486986.db2.gz OVOBSDCNWVXCDH-UHFFFAOYSA-N 0 0 312.339 2.451 10 30 DEEERN COC(=O)C(C)(C)N1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000489921528 406439754 /nfs/dbraw/zinc/43/97/54/406439754.db2.gz CCGVCPODIVSOGX-UHFFFAOYSA-N 0 0 321.808 2.285 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnn(-c2ccc(C)cc2)c1CC ZINC000524252794 406443855 /nfs/dbraw/zinc/44/38/55/406443855.db2.gz SCDIBMGVZCJCOZ-CQSZACIVSA-N 0 0 313.401 2.410 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1C[C@@H](C)C[C@@H]1CC ZINC000571007764 406465740 /nfs/dbraw/zinc/46/57/40/406465740.db2.gz YTNLUGGZBYWFFP-IHRRRGAJSA-N 0 0 306.410 2.177 10 30 DEEERN C=C(C)COc1cccc(NC(=O)C(=O)NCC(C)(C)F)c1 ZINC000635228162 406467800 /nfs/dbraw/zinc/46/78/00/406467800.db2.gz YTABYJHWVZIGMR-UHFFFAOYSA-N 0 0 308.353 2.444 10 30 DEEERN Cc1ccc(CNc2ccncc2C#N)c(O[C@H]2CCOC2)c1 ZINC000548490646 406522123 /nfs/dbraw/zinc/52/21/23/406522123.db2.gz JZAYYGMZVMXFHK-INIZCTEOSA-N 0 0 309.369 2.463 10 30 DEEERN CN(Cc1ccc(C#N)cn1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000572073104 406602087 /nfs/dbraw/zinc/60/20/87/406602087.db2.gz JKKYWAOHZUZYBW-QGZVFWFLSA-N 0 0 324.359 2.330 10 30 DEEERN C#C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000491504023 406606861 /nfs/dbraw/zinc/60/68/61/406606861.db2.gz FVIISURZPRAXQW-OLZOCXBDSA-N 0 0 308.175 2.419 10 30 DEEERN CCOC(=O)[C@@H](CC)N(C(=O)Cc1cccc(C#N)c1)C1CC1 ZINC000527307652 406614907 /nfs/dbraw/zinc/61/49/07/406614907.db2.gz GTASUDGOIDSDOC-MRXNPFEDSA-N 0 0 314.385 2.433 10 30 DEEERN C=C[C@@H](C)NC(=O)[C@@H]1C[C@@]1(C(=O)N[C@H](C)C=C)c1ccccc1 ZINC000635672861 406668028 /nfs/dbraw/zinc/66/80/28/406668028.db2.gz AIUPMQFKHWFCHF-GTACMHHNSA-N 0 0 312.413 2.326 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H]3C3CC3)cc2C1=O ZINC000572574156 406693651 /nfs/dbraw/zinc/69/36/51/406693651.db2.gz QHBYEKRSSFAYHC-OAHLLOKOSA-N 0 0 310.353 2.093 10 30 DEEERN C=CCn1c(CC(F)(F)F)nnc1N1CC[C@H](C)[C@H](OC)C1 ZINC000574156516 406780540 /nfs/dbraw/zinc/78/05/40/406780540.db2.gz BQWADDFPYZMBBO-WDEREUQCSA-N 0 0 318.343 2.430 10 30 DEEERN CCOC(=O)Cc1cc(C#N)c(OC(F)(F)F)c(C=O)c1 ZINC000575391349 406809142 /nfs/dbraw/zinc/80/91/42/406809142.db2.gz UWGQMQFWZFRIAQ-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN CCOc1cc(N)cc(I)c1CC#N ZINC000575717908 406823464 /nfs/dbraw/zinc/82/34/64/406823464.db2.gz LLYFMFGYGUIREI-UHFFFAOYSA-N 0 0 302.115 2.338 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)NC[C@H]1CSc2ccccc2O1 ZINC000575984424 406828076 /nfs/dbraw/zinc/82/80/76/406828076.db2.gz UKMUQESLZAZCID-STQMWFEESA-N 0 0 322.430 2.166 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1cccnc1OCC(F)F ZINC000128876188 196000006 /nfs/dbraw/zinc/00/00/06/196000006.db2.gz PAIVSIKJKKMQIH-UHFFFAOYSA-N 0 0 306.272 2.188 10 30 DEEERN CCCS(=O)(=O)c1ccccc1[C@](C)(C#N)C(=O)OCC ZINC000128896434 196001684 /nfs/dbraw/zinc/00/16/84/196001684.db2.gz HYUWDMHBOPJEDK-HNNXBMFYSA-N 0 0 309.387 2.215 10 30 DEEERN C#CCOCCC(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000129227353 196031120 /nfs/dbraw/zinc/03/11/20/196031120.db2.gz DEVUSXKIUCWSIL-MRXNPFEDSA-N 0 0 301.386 2.405 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(OC)c(OC)cc1F ZINC000130519816 196087482 /nfs/dbraw/zinc/08/74/82/196087482.db2.gz KOHWKNCWQLSEOW-UHFFFAOYSA-N 0 0 324.352 2.206 10 30 DEEERN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC1=CCCC1 ZINC000131432397 196167486 /nfs/dbraw/zinc/16/74/86/196167486.db2.gz LRIWMBVIPUPYRC-UHFFFAOYSA-N 0 0 313.401 2.413 10 30 DEEERN COc1ncnc(Nc2ccc(Br)cc2C#N)c1N ZINC000132080307 196224664 /nfs/dbraw/zinc/22/46/64/196224664.db2.gz VXBAWHHHCBGMNH-UHFFFAOYSA-N 0 0 320.150 2.445 10 30 DEEERN N#Cc1cc(Br)ccc1NC(=O)c1cnns1 ZINC000132491344 196259733 /nfs/dbraw/zinc/25/97/33/196259733.db2.gz UQBGJMZXNAHSQQ-UHFFFAOYSA-N 0 0 309.148 2.425 10 30 DEEERN Cn1cc(C(=O)Nc2ccc(Br)cc2C#N)cn1 ZINC000132529289 196263684 /nfs/dbraw/zinc/26/36/84/196263684.db2.gz BIPIPGHMNRWQGA-UHFFFAOYSA-N 0 0 305.135 2.307 10 30 DEEERN Cn1ncc(Br)c1[C@](C)(O)c1cccc(C#N)c1 ZINC000133075446 196310100 /nfs/dbraw/zinc/31/01/00/196310100.db2.gz OAVBOSLUQYIROJ-CYBMUJFWSA-N 0 0 306.163 2.310 10 30 DEEERN C=CCn1ncc(NCc2ccco2)c(Br)c1=O ZINC000133082355 196310365 /nfs/dbraw/zinc/31/03/65/196310365.db2.gz ODCMYOIRFFSNFK-UHFFFAOYSA-N 0 0 310.151 2.397 10 30 DEEERN CC[C@H](CSC)NC(=O)c1ccc(F)cc1C#CCCO ZINC000133973827 196350160 /nfs/dbraw/zinc/35/01/60/196350160.db2.gz KVUQKVLCDUGMQX-CQSZACIVSA-N 0 0 309.406 2.431 10 30 DEEERN Cc1cc(C#CCCO)cc(C(=O)N[C@@H]2CCCSC2)c1 ZINC000136574788 196542228 /nfs/dbraw/zinc/54/22/28/196542228.db2.gz JXJZOGDMDPCCLA-MRXNPFEDSA-N 0 0 303.427 2.354 10 30 DEEERN C[C@@H]1CN(C(=O)c2ccc(F)cc2C#CCCO)CCS1 ZINC000137310623 196572078 /nfs/dbraw/zinc/57/20/78/196572078.db2.gz BOEZSJHMHDZFGC-GFCCVEGCSA-N 0 0 307.390 2.137 10 30 DEEERN N#CCc1ccc(NC(=O)C(=O)N2CCC3(CCCC3)C2)cc1 ZINC000173632416 224772855 /nfs/dbraw/zinc/77/28/55/224772855.db2.gz VFRHRFCXRDFIRP-UHFFFAOYSA-N 0 0 311.385 2.484 10 30 DEEERN Cn1cnn(-c2ccc(NCC#Cc3ccccc3)cc2)c1=O ZINC000190394046 225083837 /nfs/dbraw/zinc/08/38/37/225083837.db2.gz UWUXIULURIPOAT-UHFFFAOYSA-N 0 0 304.353 2.035 10 30 DEEERN CCc1noc([C@@H](C)N2CCN(CC#Cc3ccccc3)CC2)n1 ZINC000192004187 225121705 /nfs/dbraw/zinc/12/17/05/225121705.db2.gz UMGSWCYBRPZXQE-MRXNPFEDSA-N 0 0 324.428 2.362 10 30 DEEERN CCc1noc([C@H](C)N2CCN(CC#Cc3ccccc3)CC2)n1 ZINC000192004194 225122162 /nfs/dbraw/zinc/12/21/62/225122162.db2.gz UMGSWCYBRPZXQE-INIZCTEOSA-N 0 0 324.428 2.362 10 30 DEEERN Cc1cc(NC(=O)Cn2c(C)nnc2-c2cccc(C#N)c2)on1 ZINC000194607320 225184401 /nfs/dbraw/zinc/18/44/01/225184401.db2.gz JUDPCLGGSXEIMW-UHFFFAOYSA-N 0 0 322.328 2.060 10 30 DEEERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2CCC[C@@H]2C)C1 ZINC000328690691 225786190 /nfs/dbraw/zinc/78/61/90/225786190.db2.gz DNCHMVWAXVNZSU-FTYKPCCVSA-N 0 0 308.382 2.242 10 30 DEEERN O=C(NCc1ccc(C2CC2)cc1)N[C@@H]1CCCS(=O)(=O)C1 ZINC000330055993 225963833 /nfs/dbraw/zinc/96/38/33/225963833.db2.gz VEEIKRUCHXAICY-OAHLLOKOSA-N 0 0 322.430 2.145 10 30 DEEERN N#C[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)CCN1C1CC1 ZINC000363499606 226916579 /nfs/dbraw/zinc/91/65/79/226916579.db2.gz ONXFCKHXNIRDCW-GOSISDBHSA-N 0 0 307.401 2.044 10 30 DEEERN Cc1ccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1F ZINC000369232434 227027691 /nfs/dbraw/zinc/02/76/91/227027691.db2.gz PERYRPSKUMXJIW-HNNXBMFYSA-N 0 0 316.380 2.016 10 30 DEEERN CSc1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000370967770 227060281 /nfs/dbraw/zinc/06/02/81/227060281.db2.gz IFLVJUGEDSMNKI-CQSZACIVSA-N 0 0 301.415 2.221 10 30 DEEERN N#C[C@H]1CN(Cc2cnc([C@@H]3CCCO3)s2)CCN1C1CC1 ZINC000371328160 227068536 /nfs/dbraw/zinc/06/85/36/227068536.db2.gz SLIDQSJWFGIJIL-ZFWWWQNUSA-N 0 0 318.446 2.167 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCCCCC1 ZINC000290998761 222060411 /nfs/dbraw/zinc/06/04/11/222060411.db2.gz LAXRAPYDKJYTRF-AWEZNQCLSA-N 0 0 306.410 2.323 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](n2cccn2)C1 ZINC000291256949 222263832 /nfs/dbraw/zinc/26/38/32/222263832.db2.gz OHVXWKAZYHECGK-MSOLQXFVSA-N 0 0 322.412 2.474 10 30 DEEERN Cc1ccc([C@H]2CCCCN2S(=O)(=O)N(C)CCC#N)o1 ZINC000408233529 227229746 /nfs/dbraw/zinc/22/97/46/227229746.db2.gz VOJCBLWLXNOCFT-CYBMUJFWSA-N 0 0 311.407 2.205 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000408340215 227232167 /nfs/dbraw/zinc/23/21/67/227232167.db2.gz UJHBKOROXHNEHI-APPZFPTMSA-N 0 0 304.293 2.074 10 30 DEEERN N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1F ZINC000408340662 227232767 /nfs/dbraw/zinc/23/27/67/227232767.db2.gz OYURJYQXTSBLPA-PSASIEDQSA-N 0 0 302.758 2.450 10 30 DEEERN CCc1noc([C@H](C)N2CCN([C@@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000408380665 227232932 /nfs/dbraw/zinc/23/29/32/227232932.db2.gz BPKFVFYAGHSRPS-MELADBBJSA-N 0 0 303.410 2.003 10 30 DEEERN Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2C#N)c(F)cc1F ZINC000408421967 227234392 /nfs/dbraw/zinc/23/43/92/227234392.db2.gz DFXSUGAHLABFQE-JOYOIKCWSA-N 0 0 300.330 2.244 10 30 DEEERN C[C@H](Nc1nccnc1C#N)C1CCN(CC(F)(F)F)CC1 ZINC000302522519 230280514 /nfs/dbraw/zinc/28/05/14/230280514.db2.gz BZTGCAXWMXFRLB-JTQLQIEISA-N 0 0 313.327 2.423 10 30 DEEERN CC(C)(C)n1cnc(NC(=O)NCc2ccc(C#N)cc2F)n1 ZINC000612347731 422481530 /nfs/dbraw/zinc/48/15/30/422481530.db2.gz YDGWNUFPETVBGE-UHFFFAOYSA-N 0 0 316.340 2.366 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1n[nH]c2cc(F)ccc21 ZINC000613904311 422489869 /nfs/dbraw/zinc/48/98/69/422489869.db2.gz AUZQSFNJEVSJSD-ZDUSSCGKSA-N 0 0 304.325 2.111 10 30 DEEERN C=CC[C@H]1N(C(=O)Nc2cc(OC)n(C)n2)CCCC1(C)C ZINC000569670363 424924314 /nfs/dbraw/zinc/92/43/14/424924314.db2.gz UFVAQSLJKMJVOV-GFCCVEGCSA-N 0 0 306.410 3.027 10 30 DEEERN Cc1cc(C#N)nc(NCc2cc(Cl)cc3c2OCC3)n1 ZINC000561261660 424890821 /nfs/dbraw/zinc/89/08/21/424890821.db2.gz AARZBHNTAZJMSC-UHFFFAOYSA-N 0 0 300.749 2.857 10 30 DEEERN C=CC[C@@H](C)NC(=O)Nc1ccn([C@H](CCC)C(=O)OCC)n1 ZINC000597031713 425030634 /nfs/dbraw/zinc/03/06/34/425030634.db2.gz SUHVHNLFXOPVHC-CHWSQXEVSA-N 0 0 322.409 2.874 10 30 DEEERN C=CCCCN(C)C(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1 ZINC000597144201 425031502 /nfs/dbraw/zinc/03/15/02/425031502.db2.gz OUKWANGYXAICEW-UHFFFAOYSA-N 0 0 322.409 2.655 10 30 DEEERN Cc1ncc(-c2noc(/C=C\c3cccc(C#N)c3)n2)c(N)n1 ZINC000445484283 425048714 /nfs/dbraw/zinc/04/87/14/425048714.db2.gz XBKOIYSKEPJKOI-WAYWQWQTSA-N 0 0 304.313 2.459 10 30 DEEERN CCOC(=O)CC1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000530909738 267115703 /nfs/dbraw/zinc/11/57/03/267115703.db2.gz FZFILFGHIOLWGQ-UHFFFAOYSA-N 0 0 314.385 2.293 10 30 DEEERN Cc1ccc(-n2cnnn2)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000530912994 268022998 /nfs/dbraw/zinc/02/29/98/268022998.db2.gz FQALSBZZJLSCHX-UHFFFAOYSA-N 0 0 318.340 2.024 10 30 DEEERN N#Cc1cccc(CC(=O)NC[C@@H](CCO)c2ccccc2)c1 ZINC000531280636 268275759 /nfs/dbraw/zinc/27/57/59/268275759.db2.gz TVWFWABLOALKNT-GOSISDBHSA-N 0 0 308.381 2.383 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2cc(C(N)=O)ccc2Cl)c1 ZINC000531390593 268278015 /nfs/dbraw/zinc/27/80/15/268278015.db2.gz AZDXMZYUPWIJSL-UHFFFAOYSA-N 0 0 313.744 2.492 10 30 DEEERN N#Cc1ccsc1C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000532245904 268305768 /nfs/dbraw/zinc/30/57/68/268305768.db2.gz CWNDCHFBUUYRSD-GFCCVEGCSA-N 0 0 317.414 2.283 10 30 DEEERN Cc1ccc2nc(CNC(=O)Cc3cccc(C#N)c3)cn2c1 ZINC000516900271 269371258 /nfs/dbraw/zinc/37/12/58/269371258.db2.gz HXLKXYJPULXXTG-UHFFFAOYSA-N 0 0 304.353 2.373 10 30 DEEERN C[C@H](C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1)n1cnc(C#N)n1 ZINC000524092234 269470852 /nfs/dbraw/zinc/47/08/52/269470852.db2.gz IWZUGVWRLUGIAC-KBMXLJTQSA-N 0 0 323.400 2.238 10 30 DEEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC(C)(O)CC1 ZINC000329699626 277245300 /nfs/dbraw/zinc/24/53/00/277245300.db2.gz GFACUBKLNSPXEG-DGCLKSJQSA-N 0 0 311.426 2.281 10 30 DEEERN C=CCN(C)C(=O)C(=O)N(C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000410758433 277840185 /nfs/dbraw/zinc/84/01/85/277840185.db2.gz DBNZNBLDNWUNMY-UYSNPLJNSA-N 0 0 322.449 2.217 10 30 DEEERN C=CC[C@@H]1N(C(=O)C(=O)N(C)C[C@H]2CCCO2)CCCC1(C)C ZINC000411002585 277881530 /nfs/dbraw/zinc/88/15/30/277881530.db2.gz KHRWQFQPPVZWIT-CABCVRRESA-N 0 0 322.449 2.217 10 30 DEEERN C=C[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000461456942 277910362 /nfs/dbraw/zinc/91/03/62/277910362.db2.gz RHZDMKDJENUQJR-YJNKXOJESA-N 0 0 300.406 2.305 10 30 DEEERN CC1(C)C[C@H](NC(=O)N2CCc3cncnc3C2)C(C)(C)O1 ZINC000329238458 278375359 /nfs/dbraw/zinc/37/53/59/278375359.db2.gz LDVDQOOYNCLDRZ-ZDUSSCGKSA-N 0 0 304.394 2.095 10 30 DEEERN Cc1cccc2c1OCC[C@@H]2NC(=O)C1(C#N)CCOCC1 ZINC000189946652 278936892 /nfs/dbraw/zinc/93/68/92/278936892.db2.gz RHYFRRRBBGFJEF-AWEZNQCLSA-N 0 0 300.358 2.255 10 30 DEEERN Cc1nc(N2C[C@H](C)[C@H](N3CCOCC3)C2)c(Cl)cc1C#N ZINC000292354434 279094899 /nfs/dbraw/zinc/09/48/99/279094899.db2.gz CFYYZJHULPCHMA-XHDPSFHLSA-N 0 0 320.824 2.072 10 30 DEEERN Cc1noc([C@@H]2COCCN2CC#Cc2ccc(Cl)cc2)n1 ZINC000160933085 279256405 /nfs/dbraw/zinc/25/64/05/279256405.db2.gz IBIOEYRMPFWGLD-HNNXBMFYSA-N 0 0 317.776 2.456 10 30 DEEERN N#Cc1ccc(N[C@@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000062961571 279525030 /nfs/dbraw/zinc/52/50/30/279525030.db2.gz PQICAXZWHDWSJV-SECBINFHSA-N 0 0 304.293 2.176 10 30 DEEERN COc1cccc(O[C@@H](C)CNC(=O)c2cc(C#N)cn2C)c1 ZINC000081549054 281604979 /nfs/dbraw/zinc/60/49/79/281604979.db2.gz QKQKMLDBHLDWJH-LBPRGKRZSA-N 0 0 313.357 2.103 10 30 DEEERN C[C@H](C(=O)NC1CC1)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000328676125 289232144 /nfs/dbraw/zinc/23/21/44/289232144.db2.gz LFDUEBXJBUOWRJ-FTLABTOESA-N 0 0 324.384 2.489 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)C3(C#N)CCCCC3)[C@H]2C1 ZINC000245689958 293771660 /nfs/dbraw/zinc/77/16/60/293771660.db2.gz JGUBFFJGHXUBOT-ILXRZTDVSA-N 0 0 306.406 2.255 10 30 DEEERN N#CC1(CS(=O)(=O)N2CCCC[C@H]2c2nccs2)CC1 ZINC000165824153 294788970 /nfs/dbraw/zinc/78/89/70/294788970.db2.gz OMDAUZGEUKNEDH-NSHDSACASA-N 0 0 311.432 2.304 10 30 DEEERN C[C@H]1CN(C(=O)c2ccc(C#N)n2C)[C@@H](c2ccccc2)CO1 ZINC000450050132 300190888 /nfs/dbraw/zinc/19/08/88/300190888.db2.gz RRTFTRWGTZHFOM-SUMWQHHRSA-N 0 0 309.369 2.499 10 30 DEEERN N#Cc1ccc(CC(=O)N2CCC(=O)Nc3ccccc32)cc1 ZINC000172315613 325727765 /nfs/dbraw/zinc/72/77/65/325727765.db2.gz HSFVGZSDSJZQLD-UHFFFAOYSA-N 0 0 305.337 2.476 10 30 DEEERN Cc1occc1C(=O)NC1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000577472054 326368641 /nfs/dbraw/zinc/36/86/41/326368641.db2.gz DOKGKWSHYZPXJU-UHFFFAOYSA-N 0 0 324.384 2.249 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCC(C)(C)c1cccnc1 ZINC000584302002 332230391 /nfs/dbraw/zinc/23/03/91/332230391.db2.gz OFILKANGKUPFHU-UHFFFAOYSA-N 0 0 317.433 2.338 10 30 DEEERN C=CCn1c(CC)nnc1N(CCOC)Cc1scnc1C ZINC000574488499 332379840 /nfs/dbraw/zinc/37/98/40/332379840.db2.gz YUUQYEOMZBNIQU-UHFFFAOYSA-N 0 0 321.450 2.444 10 30 DEEERN C=CCCCN(C)C(=O)Nc1ccc2c(c1)OCC(=O)N2C ZINC000569777078 332678417 /nfs/dbraw/zinc/67/84/17/332678417.db2.gz UJXVWRUTZWZGQN-UHFFFAOYSA-N 0 0 303.362 2.472 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC1C[C@H](C)O[C@@H](C)C1 ZINC000571397486 333781991 /nfs/dbraw/zinc/78/19/91/333781991.db2.gz XAPPWMPQHBYCQN-SDADXPQNSA-N 0 0 310.438 2.470 10 30 DEEERN C=CCSCCNC(=O)N[C@@H](CC(=O)NC)c1ccccc1 ZINC000430424674 334149205 /nfs/dbraw/zinc/14/92/05/334149205.db2.gz IXQDFWYAYJMWNV-AWEZNQCLSA-N 0 0 321.446 2.082 10 30 DEEERN C#CCCCCC(=O)N1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000366907757 335337116 /nfs/dbraw/zinc/33/71/16/335337116.db2.gz BKJYXTPQYMFNDH-OAHLLOKOSA-N 0 0 316.401 2.442 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000583548444 335713642 /nfs/dbraw/zinc/71/36/42/335713642.db2.gz SBEDMMUDXUPKLW-VYDXJSESSA-N 0 0 308.422 2.322 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1ncc2cc(Cl)ccn21 ZINC000519554947 335876374 /nfs/dbraw/zinc/87/63/74/335876374.db2.gz NUQMSOOKFAAYJV-OLZOCXBDSA-N 0 0 305.765 2.451 10 30 DEEERN C=CCOC[C@H](NC(=O)C[C@@H]1CCCC(C)(C)C1)C(=O)OC ZINC000360724690 336720416 /nfs/dbraw/zinc/72/04/16/336720416.db2.gz DQCPQQAHSAHEHK-KBPBESRZSA-N 0 0 311.422 2.453 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC000370522669 336886735 /nfs/dbraw/zinc/88/67/35/336886735.db2.gz MIQYVWZBJPXLIF-MRXNPFEDSA-N 0 0 313.401 2.181 10 30 DEEERN C=CCCCCCNC(=O)N1CCCC[C@H](S(C)(=O)=O)C1 ZINC000582794057 337170792 /nfs/dbraw/zinc/17/07/92/337170792.db2.gz AMLFRZHFOZTJAN-AWEZNQCLSA-N 0 0 316.467 2.342 10 30 DEEERN C=CC[C@H](CO)CNC(=O)NC[C@H]1CSc2ccccc2O1 ZINC000582961653 337218964 /nfs/dbraw/zinc/21/89/64/337218964.db2.gz IQCPBTXHTZWIJR-STQMWFEESA-N 0 0 322.430 2.024 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(OC)cc(OC)c1 ZINC000584524141 337355327 /nfs/dbraw/zinc/35/53/27/337355327.db2.gz MCMCJNBUCZCGCU-NHYWBVRUSA-N 0 0 306.362 2.416 10 30 DEEERN C=CCn1c(N2C[C@@H](CC)O[C@@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000515337309 337986022 /nfs/dbraw/zinc/98/60/22/337986022.db2.gz YHTXPKLXGAVMGW-JJRVBVJISA-N 0 0 320.437 2.493 10 30 DEEERN C=CCN(CCC#N)Cc1cc2c(cc1OCCOC)OCO2 ZINC000430093600 338096129 /nfs/dbraw/zinc/09/61/29/338096129.db2.gz HPVDVKRFGQGMBE-UHFFFAOYSA-N 0 0 318.373 2.342 10 30 DEEERN C=CCSCCNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000194566609 340593660 /nfs/dbraw/zinc/59/36/60/340593660.db2.gz NIMYVGBUPKVHNH-UHFFFAOYSA-N 0 0 320.462 2.269 10 30 DEEERN Cn1ccc2c1cccc2NC(=O)C(=O)N1CCC(C)(C#N)CC1 ZINC000540945220 340952713 /nfs/dbraw/zinc/95/27/13/340952713.db2.gz VSQQUUMYPSOQIP-UHFFFAOYSA-N 0 0 324.384 2.269 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1cccc(N2C(=O)CNC2=O)c1 ZINC000545222353 341115253 /nfs/dbraw/zinc/11/52/53/341115253.db2.gz RIKPLDQZJXGXAF-NSHDSACASA-N 0 0 301.346 2.284 10 30 DEEERN CO[C@@H](C)c1cccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)c1 ZINC000132348520 341121075 /nfs/dbraw/zinc/12/10/75/341121075.db2.gz CKJHHERYPSLXES-NEPJUHHUSA-N 0 0 303.362 2.093 10 30 DEEERN C=CCN1CC[C@H](N(C)Cc2nc3ccccc3n2CC)C1=O ZINC000546698851 341179329 /nfs/dbraw/zinc/17/93/29/341179329.db2.gz MGLHNAMWQRYJNM-INIZCTEOSA-N 0 0 312.417 2.275 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)cc1 ZINC000137654551 341277652 /nfs/dbraw/zinc/27/76/52/341277652.db2.gz TTXWMBPJLDNNQL-HOTGVXAUSA-N 0 0 316.401 2.415 10 30 DEEERN C=CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC ZINC000548959919 341282380 /nfs/dbraw/zinc/28/23/80/341282380.db2.gz DIUQIUNYYNOVGM-UHFFFAOYSA-N 0 0 310.361 2.236 10 30 DEEERN C=CCn1c(C(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC000564368821 341311565 /nfs/dbraw/zinc/31/15/65/341311565.db2.gz JJIGXKFQVJZNNK-CYBMUJFWSA-N 0 0 301.398 2.021 10 30 DEEERN CCC(CC)CN(CCC#N)S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000248920083 341390165 /nfs/dbraw/zinc/39/01/65/341390165.db2.gz KQMWTMQJSGCWPH-GXTWGEPZSA-N 0 0 302.440 2.145 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000556047154 341492719 /nfs/dbraw/zinc/49/27/19/341492719.db2.gz RAMORYRSIFNMDC-GXTWGEPZSA-N 0 0 304.390 2.444 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000556047156 341492828 /nfs/dbraw/zinc/49/28/28/341492828.db2.gz RAMORYRSIFNMDC-OCCSQVGLSA-N 0 0 304.390 2.444 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)c1nc(C)c(C)[nH]c1=O ZINC000155105231 341601966 /nfs/dbraw/zinc/60/19/66/341601966.db2.gz BWJWSZITHQWUSW-UHFFFAOYSA-N 0 0 311.385 2.258 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(C(=O)NCC)c1 ZINC000567893578 341639303 /nfs/dbraw/zinc/63/93/03/341639303.db2.gz SYBDREXTLQNYTP-ZFWWWQNUSA-N 0 0 317.389 2.149 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)Cn1ncc2ccccc21 ZINC000576030484 341821231 /nfs/dbraw/zinc/82/12/31/341821231.db2.gz YJVMAOPXMCCGKN-QRTARXTBSA-N 0 0 313.401 2.380 10 30 DEEERN Cc1c(CC(=O)Nc2cc(C#N)ccn2)nnn1-c1ccccc1 ZINC000436003147 533838408 /nfs/dbraw/zinc/83/84/08/533838408.db2.gz ADUDAEMIYWJGPH-UHFFFAOYSA-N 0 0 318.340 2.024 10 30 DEEERN CCOC(=O)CN(Cc1ccc(F)cc1)c1cnc(C#N)cn1 ZINC000128950216 520766968 /nfs/dbraw/zinc/76/69/68/520766968.db2.gz UHKRDPFBVABHND-UHFFFAOYSA-N 0 0 314.320 2.057 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@]1(C)c1ccccc1OC ZINC000449933845 534580043 /nfs/dbraw/zinc/58/00/43/534580043.db2.gz FITRHTNJJFHTPB-XJOINEQPSA-N 0 0 301.386 2.433 10 30 DEEERN C=C[C@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000487347739 534696594 /nfs/dbraw/zinc/69/65/94/534696594.db2.gz VMNQLAHWZMJHRC-ZDUSSCGKSA-N 0 0 310.375 2.465 10 30 DEEERN COc1ccc(CSCC(=O)NC[C@H]2CCCO2)cc1C#N ZINC000135332600 524123146 /nfs/dbraw/zinc/12/31/46/524123146.db2.gz RQYKLTPIIRFSOC-CQSZACIVSA-N 0 0 320.414 2.095 10 30 DEEERN N#Cc1cc(F)c([C@H]2NC(=O)CN2Cc2ccccc2)c(F)c1 ZINC000195268154 534773335 /nfs/dbraw/zinc/77/33/35/534773335.db2.gz JGQUKYQVKIMCMA-KRWDZBQOSA-N 0 0 313.307 2.467 10 30 DEEERN O=C(NCCCO)c1ccc(NCC#Cc2ccccc2)cc1 ZINC000190377087 534844986 /nfs/dbraw/zinc/84/49/86/534844986.db2.gz PJOXLJUMDIMYOP-UHFFFAOYSA-N 0 0 308.381 2.262 10 30 DEEERN CC#CCCCC(=O)N[C@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000375303897 526302370 /nfs/dbraw/zinc/30/23/70/526302370.db2.gz TWEFHBDMLDLAPY-KRWDZBQOSA-N 0 0 312.413 2.140 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1noc(CC)n1 ZINC000359251463 526349957 /nfs/dbraw/zinc/34/99/57/526349957.db2.gz MMBFHZJVBFSMHJ-UHFFFAOYSA-N 0 0 316.317 2.369 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)CNC(=O)c1cccnc1 ZINC000130001643 526352279 /nfs/dbraw/zinc/35/22/79/526352279.db2.gz QANQEHHEUADLTM-UHFFFAOYSA-N 0 0 309.369 2.026 10 30 DEEERN CNC(=O)[C@]1(C)CCN(C(=O)Nc2cn(C)nc2C2CC2)C1 ZINC000329617047 526407908 /nfs/dbraw/zinc/40/79/08/526407908.db2.gz LOHYEOJRGXGPHL-OAHLLOKOSA-N 0 0 305.382 2.141 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CCC=C(F)C3)cc2C1=O ZINC000342027087 526409518 /nfs/dbraw/zinc/40/95/18/526409518.db2.gz PJZQCOJZPNEWBJ-UHFFFAOYSA-N 0 0 314.316 2.168 10 30 DEEERN C=CCN1CC[C@H](N(C)[C@@H](C)c2nc(C(C)(C)C)no2)C1=O ZINC000337232805 526502232 /nfs/dbraw/zinc/50/22/32/526502232.db2.gz VVFDBJTVFOIOMD-RYUDHWBXSA-N 0 0 306.410 2.147 10 30 DEEERN N#Cc1ccc(C(=O)NCC(=O)NC/C=C/c2ccccc2)cc1 ZINC000112725736 526595627 /nfs/dbraw/zinc/59/56/27/526595627.db2.gz HYLBFWLBIIIMKD-QPJJXVBHSA-N 0 0 319.364 2.118 10 30 DEEERN C=CCNC(=O)c1ccc(N2CCC[C@H](c3ccncn3)C2)nc1 ZINC000369025899 526641779 /nfs/dbraw/zinc/64/17/79/526641779.db2.gz GBMIROQKTXYLLU-HNNXBMFYSA-N 0 0 323.400 2.171 10 30 DEEERN C=C(C)COCCNC(=O)N[C@H]1COc2ccc(F)cc2C1 ZINC000341440736 526646488 /nfs/dbraw/zinc/64/64/88/526646488.db2.gz MYAZJFFIWWMDCN-CQSZACIVSA-N 0 0 308.353 2.021 10 30 DEEERN C=C(C)COc1cccc(NC(=O)C(=O)NCC[C@@H](C)F)c1 ZINC000343172681 526665233 /nfs/dbraw/zinc/66/52/33/526665233.db2.gz VDTUFOXMDQYNSU-GFCCVEGCSA-N 0 0 308.353 2.444 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000376688753 526671601 /nfs/dbraw/zinc/67/16/01/526671601.db2.gz QAXLFAZKQDVKQS-MRXNPFEDSA-N 0 0 312.417 2.228 10 30 DEEERN C#CCC(CC#C)C(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000295696922 526673613 /nfs/dbraw/zinc/67/36/13/526673613.db2.gz XFSBKRUSHUULAH-UHFFFAOYSA-N 0 0 308.303 2.422 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000373015066 526675004 /nfs/dbraw/zinc/67/50/04/526675004.db2.gz OYLUHHPLNLIMQD-CQSZACIVSA-N 0 0 316.351 2.323 10 30 DEEERN C#CCCCC(=O)N1CCC(NC(=O)c2cccs2)CC1 ZINC000373802155 526677119 /nfs/dbraw/zinc/67/71/19/526677119.db2.gz VVIHLOZRMGEKKI-UHFFFAOYSA-N 0 0 304.415 2.272 10 30 DEEERN C=C(C)CS(=O)(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000373821230 526686490 /nfs/dbraw/zinc/68/64/90/526686490.db2.gz AYSUICGQRKPCSU-LLVKDONJSA-N 0 0 316.373 2.039 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCCN(C(=O)c2ccncc2)CC1 ZINC000375153250 526695384 /nfs/dbraw/zinc/69/53/84/526695384.db2.gz OLSYEMQZRWSSHR-OAHLLOKOSA-N 0 0 315.417 2.358 10 30 DEEERN C#CCCCNC(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000174077016 526709586 /nfs/dbraw/zinc/70/95/86/526709586.db2.gz QBVBVBGYIAEECU-UHFFFAOYSA-N 0 0 311.389 2.032 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000184239543 526712818 /nfs/dbraw/zinc/71/28/18/526712818.db2.gz RHOUGBKJJSEMDK-QWHCGFSZSA-N 0 0 324.446 2.374 10 30 DEEERN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](C2CC2)C1 ZINC000338804526 526716479 /nfs/dbraw/zinc/71/64/79/526716479.db2.gz TULXWFXDRDOQOG-OAHLLOKOSA-N 0 0 313.405 2.465 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC000359102430 526722133 /nfs/dbraw/zinc/72/21/33/526722133.db2.gz LRPSUYXVKYSJAJ-CYBMUJFWSA-N 0 0 305.426 2.035 10 30 DEEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCO[C@@H](C)C1 ZINC000338806903 526729459 /nfs/dbraw/zinc/72/94/59/526729459.db2.gz ABHCKCQRYSLDBC-AWEZNQCLSA-N 0 0 316.405 2.458 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCCC[C@H]1CN1CCOCC1)OCC ZINC000339370151 526742787 /nfs/dbraw/zinc/74/27/87/526742787.db2.gz PAXGJPLFOKKLGJ-DLBZAZTESA-N 0 0 324.465 2.071 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cc(OC)ccc1OC ZINC000362799792 526763244 /nfs/dbraw/zinc/76/32/44/526763244.db2.gz XWDLLMDGFIIUQN-HOCLYGCPSA-N 0 0 305.374 2.301 10 30 DEEERN C=CCOCCNC(=O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000369992476 526774510 /nfs/dbraw/zinc/77/45/10/526774510.db2.gz CITPWLACUSSPBX-UHFFFAOYSA-N 0 0 302.374 2.394 10 30 DEEERN C=CCOCCNC(=O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000369973077 526777089 /nfs/dbraw/zinc/77/70/89/526777089.db2.gz JKHCQCHACAOQST-KRWDZBQOSA-N 0 0 302.374 2.030 10 30 DEEERN C=CCOCCNC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000371643209 526778681 /nfs/dbraw/zinc/77/86/81/526778681.db2.gz UWSUJOFELHGBIT-OCCSQVGLSA-N 0 0 310.419 2.422 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000376554961 526842512 /nfs/dbraw/zinc/84/25/12/526842512.db2.gz WGWHSHJQKKORCV-HUUCEWRRSA-N 0 0 323.356 2.059 10 30 DEEERN C=C(CNC(=O)C1(N2CCOCC2)CCC1)c1ccccc1 ZINC000370740101 526864560 /nfs/dbraw/zinc/86/45/60/526864560.db2.gz QXQKNFXZOSRPHZ-UHFFFAOYSA-N 0 0 300.402 2.071 10 30 DEEERN C=C(CNC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccccc1 ZINC000376689231 526873373 /nfs/dbraw/zinc/87/33/73/526873373.db2.gz ROEDKPHZHVQAIZ-MAZHCROVSA-N 0 0 313.401 2.008 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N1CCC[C@@H](O)[C@H]1C ZINC000296779281 526939400 /nfs/dbraw/zinc/93/94/00/526939400.db2.gz XIIYTEGBDPPJLI-UKRRQHHQSA-N 0 0 304.390 2.306 10 30 DEEERN C=CC1CCN(C(=O)C(=O)Nc2ccnn2[C@H](C)C2CC2)CC1 ZINC000192015442 526961044 /nfs/dbraw/zinc/96/10/44/526961044.db2.gz SNDNGVSFIGWUGS-GFCCVEGCSA-N 0 0 316.405 2.217 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1CCCc2cnn(C(C)C)c21 ZINC000368147211 527093525 /nfs/dbraw/zinc/09/35/25/527093525.db2.gz INERZNPOUJYZKC-UONOGXRCSA-N 0 0 306.410 2.078 10 30 DEEERN C#CCOc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000245735634 527100197 /nfs/dbraw/zinc/10/01/97/527100197.db2.gz BHDRJLRRZSYXEE-GVDBMIGSSA-N 0 0 311.381 2.386 10 30 DEEERN C=CCCCC(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000183754288 527108186 /nfs/dbraw/zinc/10/81/86/527108186.db2.gz SDOABEQFTIQAQV-UHFFFAOYSA-N 0 0 307.369 2.030 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CC1(CO)CC1 ZINC000288282672 527171057 /nfs/dbraw/zinc/17/10/57/527171057.db2.gz VJNHWPWBHCAEOV-MRXNPFEDSA-N 0 0 300.402 2.035 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1cnccn1 ZINC000288304770 527171564 /nfs/dbraw/zinc/17/15/64/527171564.db2.gz WNUWHCFYWKFBDW-MRXNPFEDSA-N 0 0 308.385 2.253 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](CO)CC(C)C ZINC000287370255 527172265 /nfs/dbraw/zinc/17/22/65/527172265.db2.gz MJECGWWJIDBFMH-IAGOWNOFSA-N 0 0 302.418 2.327 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000410782169 527173623 /nfs/dbraw/zinc/17/36/23/527173623.db2.gz GWDNWDBFVSLBIJ-MRXNPFEDSA-N 0 0 316.401 2.011 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000341850427 527176731 /nfs/dbraw/zinc/17/67/31/527176731.db2.gz CYEBCBGMTYDASV-BHYGNILZSA-N 0 0 318.417 2.248 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000192025978 527180132 /nfs/dbraw/zinc/18/01/32/527180132.db2.gz OAANTJTYEWFLGN-LBPRGKRZSA-N 0 0 304.394 2.217 10 30 DEEERN C=CC[C@H](CO)NC(=O)C(C)(C)Cc1nc2ccccc2[nH]1 ZINC000282453521 527192585 /nfs/dbraw/zinc/19/25/85/527192585.db2.gz SXQAWADSWLEMTG-GFCCVEGCSA-N 0 0 301.390 2.185 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1 ZINC000248691815 527198976 /nfs/dbraw/zinc/19/89/76/527198976.db2.gz YAMMNKHEEFDUEZ-HZPDHXFCSA-N 0 0 317.433 2.200 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000184137388 527203112 /nfs/dbraw/zinc/20/31/12/527203112.db2.gz SYUKDCJHIHZHQJ-ZBFHGGJFSA-N 0 0 320.389 2.303 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000448373994 527211218 /nfs/dbraw/zinc/21/12/18/527211218.db2.gz IWIWWXOBUWJNRW-UHFFFAOYSA-N 0 0 312.373 2.108 10 30 DEEERN C=CCCCNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000350839610 527222037 /nfs/dbraw/zinc/22/20/37/527222037.db2.gz ZSABRBXGYNNGJQ-GOEBONIOSA-N 0 0 315.417 2.441 10 30 DEEERN C=CCCCNC(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000448042720 527223176 /nfs/dbraw/zinc/22/31/76/527223176.db2.gz KKYOTOPPKQLOPU-HIFRSBDPSA-N 0 0 301.390 2.446 10 30 DEEERN C=CCCC[C@H](C)NC(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC000364073170 527294617 /nfs/dbraw/zinc/29/46/17/527294617.db2.gz OVGVCVDEVALHIG-UONOGXRCSA-N 0 0 310.438 2.121 10 30 DEEERN C=CCCC[C@H](C)NC(=O)c1cccc(S(N)(=O)=O)c1C ZINC000343518701 527295289 /nfs/dbraw/zinc/29/52/89/527295289.db2.gz GRHXUBMAVMCABW-NSHDSACASA-N 0 0 310.419 2.117 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1C[C@H](COC)O[C@@H](C)C1 ZINC000337866264 527316494 /nfs/dbraw/zinc/31/64/94/527316494.db2.gz QLOUVOVIOLDCTE-LSDHHAIUSA-N 0 0 322.453 2.293 10 30 DEEERN C=CCCOCCNC(=O)N1CCC(c2nccc(C)n2)CC1 ZINC000376355630 527349261 /nfs/dbraw/zinc/34/92/61/527349261.db2.gz VFRJLOGWHKFDNP-UHFFFAOYSA-N 0 0 318.421 2.267 10 30 DEEERN C=CCn1cc(CN[C@@H]2CCc3cc(F)c(OC)cc32)nn1 ZINC000424293012 527374133 /nfs/dbraw/zinc/37/41/33/527374133.db2.gz HVYVZPZNTKBYTJ-OAHLLOKOSA-N 0 0 302.353 2.389 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000289896537 527390027 /nfs/dbraw/zinc/39/00/27/527390027.db2.gz XLSNDHYSULBSDR-CYBMUJFWSA-N 0 0 303.358 2.368 10 30 DEEERN C#Cc1ccc(CNC(=O)N(C)C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000297712651 527434932 /nfs/dbraw/zinc/43/49/32/527434932.db2.gz RYVJWQVOLSYPLD-IRXDYDNUSA-N 0 0 300.402 2.360 10 30 DEEERN C#Cc1ccc(CNC(=O)NCC2(CO)CC3(CCC3)C2)cc1 ZINC000297582678 527435172 /nfs/dbraw/zinc/43/51/72/527435172.db2.gz MAMRQVGDXNKYRG-UHFFFAOYSA-N 0 0 312.413 2.410 10 30 DEEERN C#Cc1ccc(CNC(=O)NCCCCCC(=O)OC)cc1 ZINC000297399556 527436039 /nfs/dbraw/zinc/43/60/39/527436039.db2.gz HWIDFPRSSHVXHW-UHFFFAOYSA-N 0 0 302.374 2.201 10 30 DEEERN C#Cc1ccc(CNC(=O)N[C@@H](CO)Cc2cccc(C)c2)cc1 ZINC000296576299 527436834 /nfs/dbraw/zinc/43/68/34/527436834.db2.gz FBHBDJCTBNEFOY-LJQANCHMSA-N 0 0 322.408 2.379 10 30 DEEERN C#Cc1ccc(CNC(=O)N[C@H](CO)Cc2cccc(C)c2)cc1 ZINC000296576298 527436907 /nfs/dbraw/zinc/43/69/07/527436907.db2.gz FBHBDJCTBNEFOY-IBGZPJMESA-N 0 0 322.408 2.379 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@@H](C)C(=O)OC(C)C)cc1 ZINC000296856624 527437028 /nfs/dbraw/zinc/43/70/28/527437028.db2.gz LSUWYAVFJFBVNZ-CYBMUJFWSA-N 0 0 302.374 2.055 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@]2(O)CCc3ccccc32)cc1 ZINC000297762462 527437477 /nfs/dbraw/zinc/43/74/77/527437477.db2.gz VTBHVACXIYYRDR-HXUWFJFHSA-N 0 0 320.392 2.301 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CSc1nccn1C(C)(C)C ZINC000424929425 527492367 /nfs/dbraw/zinc/49/23/67/527492367.db2.gz BIEKLZGZNRJEDP-STQMWFEESA-N 0 0 323.462 2.438 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCOC[C@@H]1C ZINC000337531099 527504255 /nfs/dbraw/zinc/50/42/55/527504255.db2.gz DBSFXFJDUWRSQX-ZFWWWQNUSA-N 0 0 316.401 2.285 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCCCc1c(C)nn(C)c1C ZINC000189732898 527530114 /nfs/dbraw/zinc/53/01/14/527530114.db2.gz LZSUDTLEFNJFPK-KRWDZBQOSA-N 0 0 307.438 2.315 10 30 DEEERN C=CCN(C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000298160320 527555978 /nfs/dbraw/zinc/55/59/78/527555978.db2.gz SHUJZGPKWPOYQP-NSHDSACASA-N 0 0 318.339 2.212 10 30 DEEERN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[C@@H]2C#N)C1 ZINC000408335054 527573588 /nfs/dbraw/zinc/57/35/88/527573588.db2.gz SGHBXOLCHLUINF-RDBSUJKOSA-N 0 0 305.422 2.080 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000299296949 527588154 /nfs/dbraw/zinc/58/81/54/527588154.db2.gz MJJPBRAWKRLGSQ-GFCCVEGCSA-N 0 0 313.275 2.345 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cnc2c(c1)c(C)nn2C ZINC000299314621 527589135 /nfs/dbraw/zinc/58/91/35/527589135.db2.gz UOSOPKPGMYZGQN-UHFFFAOYSA-N 0 0 312.295 2.467 10 30 DEEERN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000408340228 527641317 /nfs/dbraw/zinc/64/13/17/527641317.db2.gz UORULPFSWAHKMB-HZSPNIEDSA-N 0 0 305.422 2.222 10 30 DEEERN C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(CC)c(F)c1 ZINC000340631157 527651951 /nfs/dbraw/zinc/65/19/51/527651951.db2.gz QOLOJTGTSHLBHD-UHFFFAOYSA-N 0 0 303.337 2.255 10 30 DEEERN CC(C)OC(=O)CCCNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000189137543 527771264 /nfs/dbraw/zinc/77/12/64/527771264.db2.gz VZZLIIBELMMWGC-UHFFFAOYSA-N 0 0 314.385 2.438 10 30 DEEERN CCC1(NC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CCC1 ZINC000194675539 527774398 /nfs/dbraw/zinc/77/43/98/527774398.db2.gz PFYRXDLGFGOELH-GFCCVEGCSA-N 0 0 315.373 2.365 10 30 DEEERN CCCCCCCS(=O)(=O)N[C@@H]1CCCn2ncnc21 ZINC000195343859 528136548 /nfs/dbraw/zinc/13/65/48/528136548.db2.gz GDAIJXUCLFJLJJ-GFCCVEGCSA-N 0 0 300.428 2.003 10 30 DEEERN CC(C)c1csc(NC(=O)C(=O)N(CCC#N)CC2CC2)n1 ZINC000193392829 528235332 /nfs/dbraw/zinc/23/53/32/528235332.db2.gz INHUTWGWDWMBEC-UHFFFAOYSA-N 0 0 320.418 2.357 10 30 DEEERN CCN(CCC#N)C(=O)CN(C)Cc1nc2c(s1)CCCC2 ZINC000175541589 528353474 /nfs/dbraw/zinc/35/34/74/528353474.db2.gz NYKKDFMKEWOMTB-UHFFFAOYSA-N 0 0 320.462 2.216 10 30 DEEERN CC(C)=C(F)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000191058673 535340739 /nfs/dbraw/zinc/34/07/39/535340739.db2.gz DGDSAIZSLBMKFA-AWEZNQCLSA-N 0 0 315.348 2.039 10 30 DEEERN CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2ccnc(C#N)c2)c1 ZINC000192913181 536849326 /nfs/dbraw/zinc/84/93/26/536849326.db2.gz SSAMGVIXTGOMBV-LLVKDONJSA-N 0 0 324.340 2.179 10 30 DEEERN COc1ccccc1N(C(=O)[C@H](C)n1cnc(C#N)n1)C(C)C ZINC000362172786 537057942 /nfs/dbraw/zinc/05/79/42/537057942.db2.gz HHMPTFAOYBOGGR-LBPRGKRZSA-N 0 0 313.361 2.161 10 30 DEEERN C=CCCOC(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1 ZINC000103650740 625358890 /nfs/dbraw/zinc/35/88/90/625358890.db2.gz XLTAHTITLWDUIZ-CYBMUJFWSA-N 0 0 303.358 2.476 10 30 DEEERN C#Cc1cccc(N(C)CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)c1 ZINC000255080262 623412782 /nfs/dbraw/zinc/41/27/82/623412782.db2.gz BIPVVYSNAMARPO-CQSZACIVSA-N 0 0 322.412 2.332 10 30 DEEERN C#CCC(CC#C)C(=O)NCCC[C@@](C)(CC)C1OCCO1 ZINC000806959309 623910519 /nfs/dbraw/zinc/91/05/19/623910519.db2.gz PAPNLADJKZIKFF-GOSISDBHSA-N 0 0 305.418 2.335 10 30 DEEERN COc1ccc(CNC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@@H]2C2CC2)cc1 ZINC000176099322 624671380 /nfs/dbraw/zinc/67/13/80/624671380.db2.gz LVAPCLYWOGXLEH-BZUAXINKSA-N 0 0 312.369 2.066 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)Oc1cccc(C(N)=O)c1 ZINC000051829950 624930859 /nfs/dbraw/zinc/93/08/59/624930859.db2.gz IKMHMXROAXFNMY-LLVKDONJSA-N 0 0 310.309 2.030 10 30 DEEERN C=CCCO[C@H](C)C(=O)O[C@H](CNC(C)=O)c1ccccc1 ZINC000177981870 625116077 /nfs/dbraw/zinc/11/60/77/625116077.db2.gz QEYLXZOZEGLYAE-CZUORRHYSA-N 0 0 305.374 2.388 10 30 DEEERN CNC(=O)c1cncc(/C=C/C(=O)OCC(C)(C)CCC#N)c1 ZINC000195070852 625771043 /nfs/dbraw/zinc/77/10/43/625771043.db2.gz SXQYTBFSXCHOFJ-AATRIKPKSA-N 0 0 315.373 2.328 10 30 DEEERN Cn1ccnc1C(=O)C(C#N)=C(O)C=Cc1ccnc(Cl)c1 ZINC000255866296 625900706 /nfs/dbraw/zinc/90/07/06/625900706.db2.gz KBDLXUZSXOGRIY-OTDNITJGSA-N 0 0 314.732 2.073 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000733674238 633262993 /nfs/dbraw/zinc/26/29/93/633262993.db2.gz FYRDUBHBBJORRJ-UHFFFAOYSA-N 0 0 316.304 2.377 10 30 DEEERN C#CC[C@H](OC(=O)CCOC[C@H]1CCCO1)c1ccccn1 ZINC000733692963 633266200 /nfs/dbraw/zinc/26/62/00/633266200.db2.gz PPGJMPWSKBRNPF-ZBFHGGJFSA-N 0 0 303.358 2.275 10 30 DEEERN C=C(COC(=O)c1ccc(NC(=O)C2CC2)cc1)C(=O)OCC ZINC000734027203 633313058 /nfs/dbraw/zinc/31/30/58/633313058.db2.gz JHZPOILLPHAEFP-UHFFFAOYSA-N 0 0 317.341 2.311 10 30 DEEERN C=CC[C@H](NC(=O)N1CCN(CC(F)F)CC1)c1ccncc1 ZINC000734678824 633418295 /nfs/dbraw/zinc/41/82/95/633418295.db2.gz IWTLOBUKFFCLTI-AWEZNQCLSA-N 0 0 324.375 2.291 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000735061575 633456448 /nfs/dbraw/zinc/45/64/48/633456448.db2.gz IFIKGZRCXRTFCA-KRWDZBQOSA-N 0 0 313.376 2.063 10 30 DEEERN CCCN(CC(=O)NC)Cc1cc(Cl)ccc1OCC#N ZINC000735364370 633505921 /nfs/dbraw/zinc/50/59/21/633505921.db2.gz PPQWECDVUAOFBO-UHFFFAOYSA-N 0 0 309.797 2.200 10 30 DEEERN Cc1cc(NC(=O)c2sccc2C#N)c(C(N)=O)cc1F ZINC000736535191 633651464 /nfs/dbraw/zinc/65/14/64/633651464.db2.gz PTNBTTNZHLSCDT-UHFFFAOYSA-N 0 0 303.318 2.419 10 30 DEEERN C=CC[C@H](C)NS(=O)(=O)c1ccc(/C=C/C(=O)OC)cc1 ZINC000747274167 636431460 /nfs/dbraw/zinc/43/14/60/636431460.db2.gz TVVHRYKAGZKRKP-OBIHZWKSSA-N 0 0 309.387 2.116 10 30 DEEERN C=CC[C@H](NC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1)c1ccncc1 ZINC000739022405 637560099 /nfs/dbraw/zinc/56/00/99/637560099.db2.gz ZXBZWOKBJZWFEJ-ZNMIVQPWSA-N 0 0 316.405 2.042 10 30 DEEERN COc1ccc(CNC(=O)N[C@@H]2C[C@@H](OC)C2(C)C)cc1C#N ZINC000746734548 638373428 /nfs/dbraw/zinc/37/34/28/638373428.db2.gz VNBFJKTUDLPBQY-HUUCEWRRSA-N 0 0 317.389 2.180 10 30 DEEERN COc1ccc(CC(=O)NCc2ccc(OC)c(C#N)c2)cc1 ZINC000746859303 638381951 /nfs/dbraw/zinc/38/19/51/638381951.db2.gz OQIMXROJQDBIJN-UHFFFAOYSA-N 0 0 310.353 2.434 10 30 DEEERN COc1ccc(CNC(=O)COCc2ccccc2)cc1C#N ZINC000746885807 638384708 /nfs/dbraw/zinc/38/47/08/638384708.db2.gz CNDSCLVXQABHDG-UHFFFAOYSA-N 0 0 310.353 2.400 10 30 DEEERN C=C(C)[C@H]1CC=C(COC(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC000747175953 638415618 /nfs/dbraw/zinc/41/56/18/638415618.db2.gz GPMQQNGYJMOAPX-JKSUJKDBSA-N 0 0 321.417 2.327 10 30 DEEERN CCCCCN(CCO)C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747430085 638436262 /nfs/dbraw/zinc/43/62/62/638436262.db2.gz GGPLENUNDFFTID-UHFFFAOYSA-N 0 0 319.405 2.261 10 30 DEEERN Cc1ncc2c(n1)CCC[C@H]2NC(=O)Cc1cccc(C#N)c1 ZINC000749396531 638643608 /nfs/dbraw/zinc/64/36/08/638643608.db2.gz QGANRDIOEFGFRV-QGZVFWFLSA-N 0 0 306.369 2.393 10 30 DEEERN Cc1ccccc1CNC(=O)COC(=O)Cc1cccc(C#N)c1 ZINC000750431669 638743645 /nfs/dbraw/zinc/74/36/45/638743645.db2.gz VPWCIPYHPBEMKB-UHFFFAOYSA-N 0 0 322.364 2.269 10 30 DEEERN CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)Cc1cccc(C#N)c1 ZINC000750432424 638744881 /nfs/dbraw/zinc/74/48/81/638744881.db2.gz FASLOMSNCMMEDJ-QWHCGFSZSA-N 0 0 302.374 2.337 10 30 DEEERN C#CCN(CC#C)C(=O)CCC(C)(C)NC(=O)OC(C)(C)C ZINC000752150359 639159143 /nfs/dbraw/zinc/15/91/43/639159143.db2.gz PWFUWHJBILOTMH-UHFFFAOYSA-N 0 0 306.406 2.165 10 30 DEEERN CCOC(=O)[C@H](CC1CC1)NC(=O)c1ccccc1OCC#N ZINC000752384111 639178570 /nfs/dbraw/zinc/17/85/70/639178570.db2.gz LYBWHUKYVWFLBM-AWEZNQCLSA-N 0 0 316.357 2.051 10 30 DEEERN C#CCOc1ccc(C(=O)O[C@H](COC)C(F)(F)F)cc1 ZINC000752546471 639195802 /nfs/dbraw/zinc/19/58/02/639195802.db2.gz UMKJOUCGRFDYBL-GFCCVEGCSA-N 0 0 302.248 2.433 10 30 DEEERN C#CCOc1ccccc1CNC(=O)Nc1ccc(OC)cn1 ZINC000752826423 639225048 /nfs/dbraw/zinc/22/50/48/639225048.db2.gz HYDUSHNTBPALEJ-UHFFFAOYSA-N 0 0 311.341 2.424 10 30 DEEERN C#Cc1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1 ZINC000144338048 639526604 /nfs/dbraw/zinc/52/66/04/639526604.db2.gz DMBNAXNREOTFPY-UHFFFAOYSA-N 0 0 303.321 2.017 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cn1)C(C)(C)C ZINC000805146245 639839761 /nfs/dbraw/zinc/83/97/61/639839761.db2.gz AASDCUBFNJBCOV-SNVBAGLBSA-N 0 0 320.336 2.427 10 30 DEEERN C=CC[C@]1(C(=O)N[C@H]2CCOC2)CCCN1C(=O)OC(C)(C)C ZINC000189715232 640059921 /nfs/dbraw/zinc/05/99/21/640059921.db2.gz QWFKGDDGXFYEOP-SUMWQHHRSA-N 0 0 324.421 2.237 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@]1(C)CCCO1 ZINC000805192947 640152598 /nfs/dbraw/zinc/15/25/98/640152598.db2.gz OYFYFJSKIZBESV-WMZOPIPTSA-N 0 0 300.402 2.489 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCC[C@H](C)[S@](C)=O ZINC000805216694 640255413 /nfs/dbraw/zinc/25/54/13/640255413.db2.gz BROPRBUOJIRNOF-PGKMIFDNSA-N 0 0 320.458 2.077 10 30 DEEERN C#CC[C@@H](OC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)c1ccccn1 ZINC000729799099 640842619 /nfs/dbraw/zinc/84/26/19/640842619.db2.gz ZGBMCPVOUBRAJZ-GDBMZVCRSA-N 0 0 314.385 2.194 10 30 DEEERN Cc1nc2c(nccc2C(=O)N(CCC#N)Cc2ccccn2)[nH]1 ZINC000435680527 642506850 /nfs/dbraw/zinc/50/68/50/642506850.db2.gz DRHDKADJWOQWGE-UHFFFAOYSA-N 0 0 320.356 2.217 10 30 DEEERN C#C[C@H](NC(=O)N[C@H](CO)CC=C)c1ccc(Cl)cc1F ZINC000805777554 643233900 /nfs/dbraw/zinc/23/39/00/643233900.db2.gz HZVHVDFMARJSPB-FZMZJTMJSA-N 0 0 310.756 2.390 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1COC ZINC000805781579 643246835 /nfs/dbraw/zinc/24/68/35/643246835.db2.gz AMCHHRMRNWTACB-IAGOWNOFSA-N 0 0 300.402 2.441 10 30 DEEERN C#C[C@H](Cc1ccccc1)OC(=O)CO[C@H](C)c1nccn1C ZINC000805900293 643758836 /nfs/dbraw/zinc/75/88/36/643758836.db2.gz LFFMDHSALDGNEM-GDBMZVCRSA-N 0 0 312.369 2.285 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1oc(CO)cc1C ZINC000801425284 645395617 /nfs/dbraw/zinc/39/56/17/645395617.db2.gz MXGLCOAXJVIIPL-GFCCVEGCSA-N 0 0 309.362 2.050 10 30 DEEERN C=CCCC(=O)COC(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000801893100 645458150 /nfs/dbraw/zinc/45/81/50/645458150.db2.gz IZQJXQODINATRU-UHFFFAOYSA-N 0 0 320.345 2.124 10 30 DEEERN CC(C)Cn1c(C(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000802679483 645543059 /nfs/dbraw/zinc/54/30/59/645543059.db2.gz NHROCAPYPXTICD-HNNXBMFYSA-N 0 0 316.453 2.234 10 30 DEEERN C#C[C@@H](C)Oc1ccc(COC(=O)C2(OC)CCOCC2)cc1 ZINC000802808899 645562085 /nfs/dbraw/zinc/56/20/85/645562085.db2.gz VPCPHEATWMXXBR-CQSZACIVSA-N 0 0 318.369 2.326 10 30 DEEERN C=CCOCCNC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000803086933 645603519 /nfs/dbraw/zinc/60/35/19/645603519.db2.gz VQXQMOGQYGVBOI-LBPRGKRZSA-N 0 0 303.280 2.058 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C(=O)OC)co1 ZINC000803524204 645669039 /nfs/dbraw/zinc/66/90/39/645669039.db2.gz XHMAAZNLZOJDLO-HNNXBMFYSA-N 0 0 311.337 2.431 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)Nc1ccc2c(c1)CCC2 ZINC000803697542 645680959 /nfs/dbraw/zinc/68/09/59/645680959.db2.gz IYLFICHYGJZLAP-UHFFFAOYSA-N 0 0 309.365 2.320 10 30 DEEERN C#C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)OC)c1ccc(Cl)cc1F ZINC000804416179 645767775 /nfs/dbraw/zinc/76/77/75/645767775.db2.gz BRWKCOVTRRGKMB-LOWVWBTDSA-N 0 0 309.724 2.079 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Cc1ncccc1OC ZINC000804454383 645773936 /nfs/dbraw/zinc/77/39/36/645773936.db2.gz QEQGBROXRPWZEM-MRXNPFEDSA-N 0 0 308.381 2.384 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cn(C)nc1OC ZINC000806451730 645831722 /nfs/dbraw/zinc/83/17/22/645831722.db2.gz RUZAQOBYGVBWIN-AWEZNQCLSA-N 0 0 312.373 2.185 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CCO)CSC ZINC000806849085 645879642 /nfs/dbraw/zinc/87/96/42/645879642.db2.gz OKPDMAHFCVPUHR-HOTGVXAUSA-N 0 0 320.458 2.034 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccc(C)nc1N1CCCC1 ZINC000807218357 645926117 /nfs/dbraw/zinc/92/61/17/645926117.db2.gz PLZVIBSPRPBLHM-UHFFFAOYSA-N 0 0 309.413 2.269 10 30 DEEERN C#Cc1cncc(C(=O)NCc2noc(-c3cccc(F)c3)n2)c1 ZINC000807273385 645934064 /nfs/dbraw/zinc/93/40/64/645934064.db2.gz VSTXTTZLJFFUKB-UHFFFAOYSA-N 0 0 322.299 2.182 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1CCO ZINC000807465313 645953530 /nfs/dbraw/zinc/95/35/30/645953530.db2.gz AVUICMMEIBPGRI-DLBZAZTESA-N 0 0 300.402 2.177 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCc2c[nH]nc2C1 ZINC000807469856 645954721 /nfs/dbraw/zinc/95/47/21/645954721.db2.gz JWEHEWNNHJYTQX-MRXNPFEDSA-N 0 0 308.385 2.112 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](O)[C@H](C)C1 ZINC000807471286 645955873 /nfs/dbraw/zinc/95/58/73/645955873.db2.gz WODYPWINLGFYSJ-OIISXLGYSA-N 0 0 300.402 2.033 10 30 DEEERN C=CCOC(=O)CCNS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000807538678 645961524 /nfs/dbraw/zinc/96/15/24/645961524.db2.gz IXZZFFOYWMVHJB-UHFFFAOYSA-N 0 0 311.403 2.208 10 30 DEEERN C#CCOCCC(=O)N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000807891389 646004887 /nfs/dbraw/zinc/00/48/87/646004887.db2.gz OLQAHXZMJRQBKZ-JKSUJKDBSA-N 0 0 301.386 2.389 10 30 DEEERN C#CCSCCNC(=O)NCc1ccn(C2CCCC2)n1 ZINC000151226353 646301950 /nfs/dbraw/zinc/30/19/50/646301950.db2.gz WJAHFPIOXBGFLW-UHFFFAOYSA-N 0 0 306.435 2.164 10 30 DEEERN C#CCSCCNc1nccnc1NCCSCC#C ZINC000166821210 646537446 /nfs/dbraw/zinc/53/74/46/646537446.db2.gz HWMCLUJANORFPT-UHFFFAOYSA-N 0 0 306.460 2.033 10 30 DEEERN C#CCSCCNC(=O)c1cnc(-c2ccncc2)s1 ZINC000172943557 646755754 /nfs/dbraw/zinc/75/57/54/646755754.db2.gz GIGRMGKPCWYEMD-UHFFFAOYSA-N 0 0 303.412 2.301 10 30 DEEERN CCOCCCNC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000173934352 646783884 /nfs/dbraw/zinc/78/38/84/646783884.db2.gz NQDMIMBDZAYNFW-OWCLPIDISA-N 0 0 320.433 2.454 10 30 DEEERN C#C[C@@H](OC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)C1CC1 ZINC000152739686 647265345 /nfs/dbraw/zinc/26/53/45/647265345.db2.gz GCUMFTPHQWVPRE-QWHCGFSZSA-N 0 0 309.431 2.279 10 30 DEEERN CC[C@@H](CC#N)NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000152866093 647292388 /nfs/dbraw/zinc/29/23/88/647292388.db2.gz HXHCTDIHHAWHQV-OLZOCXBDSA-N 0 0 309.410 2.442 10 30 DEEERN COc1cccc([C@@H](C#N)NC(=O)C2=COCCC2)c1OC ZINC000730777392 647397367 /nfs/dbraw/zinc/39/73/67/647397367.db2.gz YJUNGUIARHCTQP-CYBMUJFWSA-N 0 0 302.330 2.079 10 30 DEEERN C=C(C)CCOC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12 ZINC000174795580 647409640 /nfs/dbraw/zinc/40/96/40/647409640.db2.gz UHGACZUKCVZJLV-MBNYWOFBSA-N 0 0 312.435 2.222 10 30 DEEERN C#Cc1ccc(C(=O)OCc2noc(Cc3ccccc3)n2)nc1 ZINC000731723584 647503612 /nfs/dbraw/zinc/50/36/12/647503612.db2.gz DZEQKKNLLPLFRJ-UHFFFAOYSA-N 0 0 319.320 2.394 10 30 DEEERN Cc1nc2ccccc2cc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732651815 647637555 /nfs/dbraw/zinc/63/75/55/647637555.db2.gz IWQNOCJRKPAQRJ-MRXNPFEDSA-N 0 0 320.396 2.356 10 30 DEEERN Cc1cc2ncn(CN3CCN(C4CC4)[C@H](C#N)C3)c2cc1C ZINC000732672849 647639824 /nfs/dbraw/zinc/63/98/24/647639824.db2.gz OFEWOPVWMPKZMC-MRXNPFEDSA-N 0 0 309.417 2.283 10 30 DEEERN CO[C@@H](C)CCOC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000174826652 647847876 /nfs/dbraw/zinc/84/78/76/647847876.db2.gz UKBOYTQAVYSEEG-LBPRGKRZSA-N 0 0 307.394 2.314 10 30 DEEERN COCCCNC(=O)C(C#N)=C(O)C(C)=Cc1ccc(F)cc1 ZINC000175094943 648332278 /nfs/dbraw/zinc/33/22/78/648332278.db2.gz MSDQZWYJVXPJBI-PABFRNLHSA-N 0 0 318.348 2.091 10 30 DEEERN Cc1ccc(N(CCC#N)C(=O)c2nc(C)c(C)[nH]c2=O)cc1 ZINC000180050726 648451238 /nfs/dbraw/zinc/45/12/38/648451238.db2.gz HZULOCALMADFLZ-UHFFFAOYSA-N 0 0 310.357 2.256 10 30 DEEERN Cn1ccnc1C(=O)C(C#N)=C(O)C=Cc1ccnc(Cl)c1 ZINC000181321462 648613111 /nfs/dbraw/zinc/61/31/11/648613111.db2.gz KBDLXUZSXOGRIY-VUDBWIFFSA-N 0 0 314.732 2.073 10 30 DEEERN CC#CCCCCOC(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000183946403 649204742 /nfs/dbraw/zinc/20/47/42/649204742.db2.gz WIYVVTJPDSQWMN-UHFFFAOYSA-N 0 0 314.345 2.021 10 30 DEEERN C#CCCNC(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000733246951 649463188 /nfs/dbraw/zinc/46/31/88/649463188.db2.gz XAVYEDXRHVARSQ-GJZGRUSLSA-N 0 0 300.402 2.049 10 30 DEEERN C=CCC[C@@H](OC(=O)c1cn(CC2(C)COC2)nn1)C1CC1 ZINC000185314041 649496959 /nfs/dbraw/zinc/49/69/59/649496959.db2.gz POHQFDVRMIPLLU-CQSZACIVSA-N 0 0 305.378 2.216 10 30 DEEERN C#CCN(CC#C)CC(=O)N[C@@H](CC)c1ccccc1OCC ZINC000072906351 649537700 /nfs/dbraw/zinc/53/77/00/649537700.db2.gz BRCSDDYZQLCUHH-KRWDZBQOSA-N 0 0 312.413 2.221 10 30 DEEERN C[C@@H](CCS(C)(=O)=O)OC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000185826585 649636872 /nfs/dbraw/zinc/63/68/72/649636872.db2.gz LNDOFISKAYGJQQ-LBPRGKRZSA-N 0 0 321.398 2.222 10 30 DEEERN C#CCOc1cccc(NC(=O)NCc2cccc(OC)n2)c1 ZINC000108518467 651660519 /nfs/dbraw/zinc/66/05/19/651660519.db2.gz OTCJQSBCUFBGMZ-UHFFFAOYSA-N 0 0 311.341 2.424 10 30 DEEERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](C#N)C1CC1 ZINC000108829927 651721305 /nfs/dbraw/zinc/72/13/05/651721305.db2.gz HFOLBABJEJQLJN-IRXDYDNUSA-N 0 0 309.369 2.369 10 30 DEEERN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H](C#N)C1CC1 ZINC000108829932 651721444 /nfs/dbraw/zinc/72/14/44/651721444.db2.gz HFOLBABJEJQLJN-IAGOWNOFSA-N 0 0 309.369 2.369 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CCCOC ZINC000111326182 652549047 /nfs/dbraw/zinc/54/90/47/652549047.db2.gz JXQQEUIBPLKUAJ-UHFFFAOYSA-N 0 0 315.347 2.068 10 30 DEEERN C#CC[C@H](OC(=O)c1ccc(-n2cnnn2)cc1Cl)C1CC1 ZINC000079210869 683971157 /nfs/dbraw/zinc/97/11/57/683971157.db2.gz IFFWVICQWLBINT-AWEZNQCLSA-N 0 0 316.748 2.274 10 30 DEEERN Cn1cc(C#N)cc1C(=O)OCCNc1ncnc2ccccc21 ZINC000083953807 684000159 /nfs/dbraw/zinc/00/01/59/684000159.db2.gz IKOWOLGXYPWGBK-UHFFFAOYSA-N 0 0 321.340 2.109 10 30 DEEERN C=CCC[C@@H](C)OC(=O)CCc1nc(-c2ncccn2)no1 ZINC000089319501 684021970 /nfs/dbraw/zinc/02/19/70/684021970.db2.gz YLWUITGOTKUEKH-LLVKDONJSA-N 0 0 302.334 2.357 10 30 DEEERN CNC(=O)c1cc(OC)ccc1NC(=O)c1ccc(C#N)cc1C ZINC000119239607 684078811 /nfs/dbraw/zinc/07/88/11/684078811.db2.gz FVQOGPKSXHIVAW-UHFFFAOYSA-N 0 0 323.352 2.487 10 30 DEEERN C#C[C@@H](Cc1ccccc1)OC(=O)CCCCCNC(C)=O ZINC000120552725 684097888 /nfs/dbraw/zinc/09/78/88/684097888.db2.gz ZWMXFGDEZJTUHY-KRWDZBQOSA-N 0 0 301.386 2.471 10 30 DEEERN Cc1cc(C(=O)N(C)[C@@H](C)CO)c(C)n1-c1ccc(C#N)cc1 ZINC000126730680 684156444 /nfs/dbraw/zinc/15/64/44/684156444.db2.gz BOIDQZBDGXREFB-ZDUSSCGKSA-N 0 0 311.385 2.419 10 30 DEEERN N#CC1(COC(=O)c2ccc(N3CCCC3)nc2)CCOCC1 ZINC000127593996 684164607 /nfs/dbraw/zinc/16/46/07/684164607.db2.gz LONXATPKRIMERE-UHFFFAOYSA-N 0 0 315.373 2.159 10 30 DEEERN COc1ccc([C@H](O)CNC(=O)c2ccc(C#N)cc2C)cc1 ZINC000131863977 684203203 /nfs/dbraw/zinc/20/32/03/684203203.db2.gz LVABDAHOIPSDON-QGZVFWFLSA-N 0 0 310.353 2.339 10 30 DEEERN Cn1ncc2c1CC/C(=C\c1cnc3ccc(C#N)cn13)C2=O ZINC000134289674 684227424 /nfs/dbraw/zinc/22/74/24/684227424.db2.gz JLXOUSZEKLCODI-WUXMJOGZSA-N 0 0 303.325 2.152 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)N2CCc3cc(OC)ccc32)c1 ZINC000187383623 684336801 /nfs/dbraw/zinc/33/68/01/684336801.db2.gz OBOWXPYITARFIX-UHFFFAOYSA-N 0 0 320.348 2.204 10 30 DEEERN C=C[C@](C)(CCOC)COC(=O)c1cc(OC(F)F)n(C)n1 ZINC000187501295 684339036 /nfs/dbraw/zinc/33/90/36/684339036.db2.gz PMGRGNLUMGUDSU-CQSZACIVSA-N 0 0 318.320 2.407 10 30 DEEERN C=C[C@@](C)(CCOC)COC(=O)c1ccc(-n2cnnn2)cc1 ZINC000191154575 684421763 /nfs/dbraw/zinc/42/17/63/684421763.db2.gz QOMRYUYTNQKZEB-INIZCTEOSA-N 0 0 316.361 2.048 10 30 DEEERN C=C(Br)CNC(=O)c1cnc2nc(C)ccc2c1O ZINC000195207362 685091387 /nfs/dbraw/zinc/09/13/87/685091387.db2.gz QLLKSZINURXMBL-UHFFFAOYSA-N 0 0 322.162 2.282 10 30 DEEERN N#CC1CCN(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000195476682 685100352 /nfs/dbraw/zinc/10/03/52/685100352.db2.gz CMXFURIRAJYAES-UHFFFAOYSA-N 0 0 312.348 2.242 10 30 DEEERN CC(=O)N1CCO[C@H]2CCN(c3c(Cl)cccc3C#N)C[C@H]21 ZINC000886056909 691994408 /nfs/dbraw/zinc/99/44/08/691994408.db2.gz QIKBPNRJSNOPMU-CABCVRRESA-N 0 0 319.792 2.038 10 30 DEEERN C=CCCCC(=O)N(C)S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000176536793 782507823 /nfs/dbraw/zinc/50/78/23/782507823.db2.gz DWDJJUZTLGPJRW-UHFFFAOYSA-N 0 0 309.387 2.393 10 30 DEEERN N#Cc1ccc(C(=O)N2CCS[C@H](C(F)(F)F)C2)nc1 ZINC000721413873 776733564 /nfs/dbraw/zinc/73/35/64/776733564.db2.gz LALCSLZFTGBLIX-JTQLQIEISA-N 0 0 301.293 2.073 10 30 DEEERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)C1(C#N)CCCC1 ZINC000588434415 777175996 /nfs/dbraw/zinc/17/59/96/777175996.db2.gz JEPLOLOHCUBEHN-SREVYHEPSA-N 0 0 307.394 2.267 10 30 DEEERN C#CCCNC(=O)c1cccc(F)c1I ZINC000721648141 778107499 /nfs/dbraw/zinc/10/74/99/778107499.db2.gz HWHQBJSDWULZBY-UHFFFAOYSA-N 0 0 317.101 2.183 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000745231623 784698877 /nfs/dbraw/zinc/69/88/77/784698877.db2.gz KLJMZGAYAYDFDK-NDMJEZRESA-N 0 0 309.312 2.302 10 30 DEEERN COc1ccc(CNC(=O)c2ccc3nccn3c2)cc1C#N ZINC000746924742 786545032 /nfs/dbraw/zinc/54/50/32/786545032.db2.gz CEIOBLDYYYQNDW-UHFFFAOYSA-N 0 0 306.325 2.145 10 30 DEEERN CO[C@@H]1CC[C@H]1N(C)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000724120913 787350567 /nfs/dbraw/zinc/35/05/67/787350567.db2.gz NCKRGYBYGLQRCM-VXGBXAGGSA-N 0 0 314.794 2.010 10 30 DEEERN C#CC[C@H](COC)NC(=O)/C=C\c1ccc(Br)o1 ZINC000716823506 793008624 /nfs/dbraw/zinc/00/86/24/793008624.db2.gz ZZBOGTSDJUJWCN-BJPMOSCESA-N 0 0 312.163 2.210 10 30 DEEERN CC1(C)CO[C@H](CCNS(=O)(=O)c2ccc(C#N)s2)C1 ZINC000717353379 799381593 /nfs/dbraw/zinc/38/15/93/799381593.db2.gz KQWIUFRBNYZMCL-SNVBAGLBSA-N 0 0 314.432 2.103 10 30 DEEERN C=CCC1(O)CCN(S(=O)(=O)c2ccc(CC)s2)CC1 ZINC000717473419 799412385 /nfs/dbraw/zinc/41/23/85/799412385.db2.gz SIFWXLMGWFBRFQ-UHFFFAOYSA-N 0 0 315.460 2.402 10 30 DEEERN C#Cc1cccc(NC(=O)NC2CCN(C(=O)OCC)CC2)c1 ZINC000043985986 1078326159 /nfs/dbraw/zinc/32/61/59/1078326159.db2.gz JYKOVYOEFFSSSR-UHFFFAOYSA-N 0 0 315.373 2.410 10 30 DEEERN C#CC1(O)CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000708116735 1086676669 /nfs/dbraw/zinc/67/66/69/1086676669.db2.gz MKCJWVUWRXIXQE-UHFFFAOYSA-N 0 0 323.165 2.424 10 30 DEEERN C[C@@H](CC(F)(F)F)NS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720020424 1089423237 /nfs/dbraw/zinc/42/32/37/1089423237.db2.gz AQOFYEWFLYXFNV-ZETCQYMHSA-N 0 0 310.272 2.317 10 30 DEEERN C=CCOCC(=O)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000354945958 1138320728 /nfs/dbraw/zinc/32/07/28/1138320728.db2.gz FNHFMEHHTNIGHY-QGZVFWFLSA-N 0 0 314.385 2.164 10 30 DEEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC000624848653 365569529 /nfs/dbraw/zinc/56/95/29/365569529.db2.gz DEHHYZGJUPGCQK-CYBMUJFWSA-N 0 0 306.320 2.090 10 30 DEEERN C=CCn1c(CC)nnc1N1Cc2ccccc2N(C)C(=O)C1 ZINC000624838049 365566203 /nfs/dbraw/zinc/56/62/03/365566203.db2.gz OJPQWIQABBCPOO-UHFFFAOYSA-N 0 0 311.389 2.010 10 30 DEEERN COc1csc(C(=O)Nc2ncc(C#CCCO)s2)c1 ZINC000162162968 197548977 /nfs/dbraw/zinc/54/89/77/197548977.db2.gz HLLGXFOKFXUFCZ-UHFFFAOYSA-N 0 0 308.384 2.199 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(Cc2cccc(C)c2)C1 ZINC000612120324 361752216 /nfs/dbraw/zinc/75/22/16/361752216.db2.gz OVFKOLFJAASSAO-GOSISDBHSA-N 0 0 314.429 2.467 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)c2cscn2)C1 ZINC000612128949 361752647 /nfs/dbraw/zinc/75/26/47/361752647.db2.gz CQILTTKIDLKFHC-VXGBXAGGSA-N 0 0 307.419 2.135 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1COc2c1cccc2Cl ZINC000612304342 361786921 /nfs/dbraw/zinc/78/69/21/361786921.db2.gz NMJAMWOMWJBZKV-ZIAGYGMSSA-N 0 0 322.792 2.361 10 30 DEEERN C=CCOCCCNC(=O)C(=O)N(CC)Cc1ccc(C)cc1 ZINC000612413923 361820322 /nfs/dbraw/zinc/82/03/22/361820322.db2.gz HINXKOPHNAXOPO-UHFFFAOYSA-N 0 0 318.417 2.052 10 30 DEEERN CC(=O)c1ccn(CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000163370959 197626588 /nfs/dbraw/zinc/62/65/88/197626588.db2.gz JFGVPTSETPCZCK-UHFFFAOYSA-N 0 0 302.355 2.036 10 30 DEEERN C#CCN(CC)S(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000164420275 197652870 /nfs/dbraw/zinc/65/28/70/197652870.db2.gz MOLFAFIDHYCKBO-UHFFFAOYSA-N 0 0 307.202 2.219 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1c(C)cccc1C ZINC000612531411 361853341 /nfs/dbraw/zinc/85/33/41/361853341.db2.gz BLGNMQZYETVMHE-QGZVFWFLSA-N 0 0 302.418 2.433 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000612506254 361845594 /nfs/dbraw/zinc/84/55/94/361845594.db2.gz ITSHRQLABIIQEA-ZIAGYGMSSA-N 0 0 322.449 2.263 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000612560358 361861452 /nfs/dbraw/zinc/86/14/52/361861452.db2.gz ODVGTKLAQMEZRT-JTQLQIEISA-N 0 0 312.753 2.185 10 30 DEEERN C=CCCOCCNC(=O)c1cncc(Br)c1C ZINC000613015002 361982590 /nfs/dbraw/zinc/98/25/90/361982590.db2.gz ZSZOZMVFCZHXNX-UHFFFAOYSA-N 0 0 313.195 2.475 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000278885792 214468298 /nfs/dbraw/zinc/46/82/98/214468298.db2.gz WUWIYTGYDHVJSU-GHMZBOCLSA-N 0 0 317.311 2.036 10 30 DEEERN CCCc1nnsc1C(=O)Nc1cccc(C#CCO)c1 ZINC000087456305 185225657 /nfs/dbraw/zinc/22/56/57/185225657.db2.gz PUVGNRCEBGRBCZ-UHFFFAOYSA-N 0 0 301.371 2.087 10 30 DEEERN CC1(C)CC(=O)N(c2cc(C#CCCO)ccc2Cl)C1=O ZINC000087724281 185230894 /nfs/dbraw/zinc/23/08/94/185230894.db2.gz PKJQKCZOAXWEMX-UHFFFAOYSA-N 0 0 305.761 2.363 10 30 DEEERN Cc1ccc(C#CCCO)cc1C(=O)N(C)[C@H]1CCSC1 ZINC000087745881 185231123 /nfs/dbraw/zinc/23/11/23/185231123.db2.gz XVFOSQGOSGWGOQ-HNNXBMFYSA-N 0 0 303.427 2.306 10 30 DEEERN Cc1ccc(C#CCO)cc1C(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000087746403 185231166 /nfs/dbraw/zinc/23/11/66/185231166.db2.gz CEOWXABOLFCBKL-OKILXGFUSA-N 0 0 303.427 2.305 10 30 DEEERN CN1CCN([C@H](C#N)c2ccc(Br)s2)CC1 ZINC000088045145 185237860 /nfs/dbraw/zinc/23/78/60/185237860.db2.gz QSGRUKIWJDIVNI-SECBINFHSA-N 0 0 300.225 2.323 10 30 DEEERN C#CCNCC(=O)Nc1ccc(Cl)cc1Br ZINC000088122609 185240158 /nfs/dbraw/zinc/24/01/58/185240158.db2.gz CDHANPTWXJUWQS-UHFFFAOYSA-N 0 0 301.571 2.264 10 30 DEEERN CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1cccc(C#CCO)c1 ZINC000088310838 185245249 /nfs/dbraw/zinc/24/52/49/185245249.db2.gz FFFHWGMQUUWROD-KGLIPLIRSA-N 0 0 309.431 2.133 10 30 DEEERN O=C(CCC(F)(F)F)NCc1cc(C#CCO)ccc1F ZINC000088834228 185266498 /nfs/dbraw/zinc/26/64/98/185266498.db2.gz PRIFKNPZRHCUPD-UHFFFAOYSA-N 0 0 303.255 2.128 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCc2cc(F)ccc2C1 ZINC000613192902 362033490 /nfs/dbraw/zinc/03/34/90/362033490.db2.gz JVQAQVVCMUGECE-MRXNPFEDSA-N 0 0 304.365 2.181 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCc2c(cccc2OC)C1 ZINC000613404602 362101606 /nfs/dbraw/zinc/10/16/06/362101606.db2.gz KFCXKZVXURSUKW-MRXNPFEDSA-N 0 0 316.401 2.051 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000613407201 362103365 /nfs/dbraw/zinc/10/33/65/362103365.db2.gz QMXNYUWROJWUAO-INIZCTEOSA-N 0 0 301.390 2.370 10 30 DEEERN C=CCOCCCNS(=O)(=O)c1ccc(C)c(F)c1F ZINC000625279608 365712110 /nfs/dbraw/zinc/71/21/10/365712110.db2.gz JNTURVWXLZBRPB-UHFFFAOYSA-N 0 0 305.346 2.144 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccnc(SCC)c1 ZINC000613693821 362183115 /nfs/dbraw/zinc/18/31/15/362183115.db2.gz OEVXKMQVFAODMV-CQSZACIVSA-N 0 0 321.446 2.281 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cccc3c2OCCCO3)C1 ZINC000625355799 365745549 /nfs/dbraw/zinc/74/55/49/365745549.db2.gz VTXMQBKFZPCAHE-ZDUSSCGKSA-N 0 0 323.414 2.435 10 30 DEEERN C=CCN(C)C(=O)C(=O)NCc1ccccc1CC(F)(F)F ZINC000625383268 365756696 /nfs/dbraw/zinc/75/66/96/365756696.db2.gz LYCRJRUVVVYBKC-UHFFFAOYSA-N 0 0 314.307 2.052 10 30 DEEERN C[C@@H](C(=O)[C@H](C#N)c1ccc(F)cc1Cl)S(C)(=O)=O ZINC000168534496 197724893 /nfs/dbraw/zinc/72/48/93/197724893.db2.gz HUHYRJMVSQXDPV-OIBJUYFYSA-N 0 0 303.742 2.088 10 30 DEEERN CCc1nnc(C2CCN(C(=O)c3cccc(CC#N)c3)CC2)[nH]1 ZINC000191503259 529731927 /nfs/dbraw/zinc/73/19/27/529731927.db2.gz BBKDEXJCICGWQG-UHFFFAOYSA-N 0 0 323.400 2.453 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000613931104 362247432 /nfs/dbraw/zinc/24/74/32/362247432.db2.gz MRHQBCWMNNPFNK-JKSUJKDBSA-N 0 0 322.449 2.455 10 30 DEEERN CN(C1CCCCC1)S(=O)(=O)NCC1CCC(C#N)CC1 ZINC000443227581 529822089 /nfs/dbraw/zinc/82/20/89/529822089.db2.gz QCZYLJZOMCUDPE-UHFFFAOYSA-N 0 0 313.467 2.415 10 30 DEEERN C#CCCCCNC(=O)C(=O)Nc1cc(C)c(OC)cc1C ZINC000278145772 213986273 /nfs/dbraw/zinc/98/62/73/213986273.db2.gz XEEZWIANYCNJDL-UHFFFAOYSA-N 0 0 302.374 2.170 10 30 DEEERN C=CCn1cc(CNC(=O)NCc2ccc(C3CC3)cc2)nn1 ZINC000425513342 334954602 /nfs/dbraw/zinc/95/46/02/334954602.db2.gz ONOPECMHUCSBTO-UHFFFAOYSA-N 0 0 311.389 2.341 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)[C@@H](NCC(F)(F)F)C(C)C ZINC000614372101 362363652 /nfs/dbraw/zinc/36/36/52/362363652.db2.gz GNWLOWDAYBMZKR-RWMBFGLXSA-N 0 0 322.371 2.260 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1ccc2[nH]ccc2c1 ZINC000614458025 362386487 /nfs/dbraw/zinc/38/64/87/362386487.db2.gz AQBOPAUIILPJRS-QGZVFWFLSA-N 0 0 313.401 2.298 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)CC(=C)C ZINC000615216071 362558929 /nfs/dbraw/zinc/55/89/29/362558929.db2.gz QXSBIJKDFFIVCG-XHSDSOJGSA-N 0 0 324.465 2.127 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](c2ccccn2)C1 ZINC000615250872 362566450 /nfs/dbraw/zinc/56/64/50/362566450.db2.gz MMTUVSLSDHIDGD-NVXWUHKLSA-N 0 0 315.417 2.259 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)Cc1c(F)cccc1F ZINC000615368857 362596796 /nfs/dbraw/zinc/59/67/96/362596796.db2.gz JAOZISPPFYVJHA-HNNXBMFYSA-N 0 0 310.344 2.394 10 30 DEEERN CCOc1cccc(CCNC(=O)N2CC[C@@](F)(C#N)C2)c1 ZINC000615549694 362637096 /nfs/dbraw/zinc/63/70/96/362637096.db2.gz SUHXKVOGTWMCQV-MRXNPFEDSA-N 0 0 305.353 2.275 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000615687117 362681049 /nfs/dbraw/zinc/68/10/49/362681049.db2.gz XKWMPNBJJMCEBO-WQVCFCJDSA-N 0 0 316.401 2.486 10 30 DEEERN C=CC[C@H]1CCN(Cc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000625703163 365876731 /nfs/dbraw/zinc/87/67/31/365876731.db2.gz QWQZEHMKFWVAFZ-LBPRGKRZSA-N 0 0 314.476 2.396 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](Cc1ccncc1)C(=O)OCC ZINC000616130473 362777655 /nfs/dbraw/zinc/77/76/55/362777655.db2.gz DGKAMHOQSQUTMZ-HIFRSBDPSA-N 0 0 304.390 2.274 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CCC(C(F)F)CC1 ZINC000616232202 362802962 /nfs/dbraw/zinc/80/29/62/362802962.db2.gz MQHFIVUSBYNQJL-WXRRBKDZSA-N 0 0 302.365 2.397 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CC12CCSCC2 ZINC000616364435 362836793 /nfs/dbraw/zinc/83/67/93/362836793.db2.gz HTOHGPDCNJVXMS-KBPBESRZSA-N 0 0 310.463 2.107 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cn(C)nc1-c1ccco1 ZINC000616409420 362849034 /nfs/dbraw/zinc/84/90/34/362849034.db2.gz PBFMEOWPEAXDEK-AAEUAGOBSA-N 0 0 301.346 2.001 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C)OC2(CCCC2)C1 ZINC000616504968 362875588 /nfs/dbraw/zinc/87/55/88/362875588.db2.gz DJVJOJSUXWVTAH-HIFRSBDPSA-N 0 0 308.422 2.017 10 30 DEEERN CCOC(=O)c1ccc(I)cc1C#N ZINC000616578394 362893528 /nfs/dbraw/zinc/89/35/28/362893528.db2.gz RAUIPZXGMRHKPH-UHFFFAOYSA-N 0 0 301.083 2.340 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCC2(CCCC2)O1 ZINC000616719516 362920467 /nfs/dbraw/zinc/92/04/67/362920467.db2.gz VQZRRJDGQMNOGC-LSDHHAIUSA-N 0 0 308.422 2.065 10 30 DEEERN N#Cc1cc(NC(=O)C(=O)NC/C=C\c2ccccc2)ccc1F ZINC000255134022 282618294 /nfs/dbraw/zinc/61/82/94/282618294.db2.gz GTGRRQXDPDPZMS-DAXSKMNVSA-N 0 0 323.327 2.465 10 30 DEEERN Cc1ccc(C(=O)NCc2cc(C#CCO)cs2)cc1O ZINC000071321763 190957227 /nfs/dbraw/zinc/95/72/27/190957227.db2.gz XRUDLURSONYMME-UHFFFAOYSA-N 0 0 301.367 2.036 10 30 DEEERN CS(=O)(=O)c1ccc([S@@](=O)[C@H]2CCCC[C@@H]2C#N)cc1 ZINC000084267204 192418516 /nfs/dbraw/zinc/41/85/16/192418516.db2.gz OQHDFKBINWZMGY-WQBCIRTESA-N 0 0 311.428 2.280 10 30 DEEERN CCCCCCCS(=O)(=O)N1CCCC[C@]1(C)C(N)=O ZINC000195452374 282653001 /nfs/dbraw/zinc/65/30/01/282653001.db2.gz AYBNRCYBWHXUDU-CQSZACIVSA-N 0 0 304.456 2.017 10 30 DEEERN COc1cccc2c1C(=O)N(Cc1c(C)nn(C)c1C)[C@H]2C#N ZINC000071678717 191005103 /nfs/dbraw/zinc/00/51/03/191005103.db2.gz XFBJYQHFAYJUJF-AWEZNQCLSA-N 0 0 310.357 2.266 10 30 DEEERN CC(=O)NCCN1C(=O)c2c(ccc(Cl)c2Cl)C1C#N ZINC000071681870 191006987 /nfs/dbraw/zinc/00/69/87/191006987.db2.gz LYEBTQMFMRFROE-SNVBAGLBSA-N 0 0 312.156 2.150 10 30 DEEERN N#CC1c2ccc(Cl)c(Cl)c2C(=O)N1CCOCCO ZINC000071681900 191007241 /nfs/dbraw/zinc/00/72/41/191007241.db2.gz JHVOSVPKVRJVGG-JTQLQIEISA-N 0 0 315.156 2.023 10 30 DEEERN C[C@H]1SCCN(C(=O)c2ccc(F)cc2C#CCO)[C@H]1C ZINC000133652755 186003532 /nfs/dbraw/zinc/00/35/32/186003532.db2.gz NYZSGBXSWCKAMI-NWDGAFQWSA-N 0 0 307.390 2.136 10 30 DEEERN Cc1ccc(C#CCO)c(C(=O)N2CCS[C@H](C)[C@H]2C)c1 ZINC000133655890 186004269 /nfs/dbraw/zinc/00/42/69/186004269.db2.gz PLUBTIKGLXQWPS-ZIAGYGMSSA-N 0 0 303.427 2.305 10 30 DEEERN CC[C@H](NC(=O)c1sccc1C#CCCO)c1ncc[nH]1 ZINC000141595104 186030503 /nfs/dbraw/zinc/03/05/03/186030503.db2.gz BBEYEZWNLTWWAH-LBPRGKRZSA-N 0 0 303.387 2.086 10 30 DEEERN C[C@H]1CCC[C@H](C)N1NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000147787643 186042054 /nfs/dbraw/zinc/04/20/54/186042054.db2.gz ZQMVFMBAFXHWPG-STQMWFEESA-N 0 0 307.419 2.156 10 30 DEEERN CC[C@H](C#N)S(=O)(=O)NCc1sccc1Br ZINC000148262499 186044066 /nfs/dbraw/zinc/04/40/66/186044066.db2.gz APQFEZDDYZXYEL-SSDOTTSWSA-N 0 0 323.237 2.232 10 30 DEEERN N#Cc1ccc(NCc2cc(C(N)=O)cs2)c([N+](=O)[O-])c1 ZINC000148338116 186044473 /nfs/dbraw/zinc/04/44/73/186044473.db2.gz FUWJXQDLSBTWHD-UHFFFAOYSA-N 0 0 302.315 2.239 10 30 DEEERN C[C@@H]1CCC[C@H](C)N1NC(=O)c1csc(C#CCCO)c1 ZINC000149851472 186052973 /nfs/dbraw/zinc/05/29/73/186052973.db2.gz VWLWOYGDXGJHEO-BETUJISGSA-N 0 0 306.431 2.390 10 30 DEEERN N#Cc1cc(CS(=O)(=O)c2ccc(Cl)cc2N)ccn1 ZINC000150016946 186053979 /nfs/dbraw/zinc/05/39/79/186053979.db2.gz DRPHRIRYJQWHII-UHFFFAOYSA-N 0 0 307.762 2.163 10 30 DEEERN O=C(NCc1sccc1C#CCO)c1cc(F)ccc1F ZINC000148561218 186045222 /nfs/dbraw/zinc/04/52/22/186045222.db2.gz BHZKZAFOXUGROD-UHFFFAOYSA-N 0 0 307.321 2.300 10 30 DEEERN CCOC(=O)[C@H]1CCCCN1C(=O)c1ccc(C#N)cc1C ZINC000163983762 186144793 /nfs/dbraw/zinc/14/47/93/186144793.db2.gz RIXXGFXXRKVCDV-OAHLLOKOSA-N 0 0 300.358 2.425 10 30 DEEERN N#CCC[C@@H](NC(=O)Nc1ccc(C(N)=O)nc1)c1ccccc1 ZINC000164261564 186153705 /nfs/dbraw/zinc/15/37/05/186153705.db2.gz RVFBSCMVAXWNLO-CQSZACIVSA-N 0 0 323.356 2.347 10 30 DEEERN CC(C)(C)CS(=O)(=O)Nc1ccc(F)c(C#CCCO)c1 ZINC000164397478 186158368 /nfs/dbraw/zinc/15/83/68/186158368.db2.gz IXRLXEZCGKRFCT-UHFFFAOYSA-N 0 0 313.394 2.347 10 30 DEEERN CC(C)CCS(=O)(=O)Nc1ccc(F)c(C#CCCO)c1 ZINC000164398262 186158552 /nfs/dbraw/zinc/15/85/52/186158552.db2.gz WKBMOBGTOAIOFF-UHFFFAOYSA-N 0 0 313.394 2.347 10 30 DEEERN C#C[C@H](C)NC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000186010308 186231239 /nfs/dbraw/zinc/23/12/39/186231239.db2.gz MDDLNDLUFIBATD-LBPRGKRZSA-N 0 0 302.374 2.463 10 30 DEEERN C#C[C@@H](C)NC(=O)c1cc(C)ccc1I ZINC000186056616 186236133 /nfs/dbraw/zinc/23/61/33/186236133.db2.gz KGDFHYAJAJSQHK-SECBINFHSA-N 0 0 313.138 2.351 10 30 DEEERN Cn1ccnc1-c1cc(NC(=O)c2cc(C#N)cs2)n(C)n1 ZINC000178649039 282738434 /nfs/dbraw/zinc/73/84/34/282738434.db2.gz UUAIHEUJMQQBTF-UHFFFAOYSA-N 0 0 312.358 2.006 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CSc1nnnn1C1CC1 ZINC000617037231 363006726 /nfs/dbraw/zinc/00/67/26/363006726.db2.gz JVNUTCPVQIWIQF-AAEUAGOBSA-N 0 0 321.450 2.351 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(OCC(N)=O)c1 ZINC000617037567 363007028 /nfs/dbraw/zinc/00/70/28/363007028.db2.gz OOSGJPZVQCBBEC-BBRMVZONSA-N 0 0 316.401 2.415 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000617040885 363008019 /nfs/dbraw/zinc/00/80/19/363008019.db2.gz ZUPJTBXXYNATIY-YPMHNXCESA-N 0 0 300.362 2.300 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000617042070 363008139 /nfs/dbraw/zinc/00/81/39/363008139.db2.gz MYUARZNIWTVBDC-DGCLKSJQSA-N 0 0 315.373 2.277 10 30 DEEERN C=CCSCCNC(=O)N1CCOc2ccc(O)cc2C1 ZINC000595493950 358464264 /nfs/dbraw/zinc/46/42/64/358464264.db2.gz XOTTYEWOXDCNEZ-UHFFFAOYSA-N 0 0 308.403 2.215 10 30 DEEERN CC(C)(C)CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000172072060 198035201 /nfs/dbraw/zinc/03/52/01/198035201.db2.gz SZYVASFWGZMDDZ-MRXNPFEDSA-N 0 0 314.433 2.452 10 30 DEEERN Cc1cnn(CCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 ZINC000172216760 198059460 /nfs/dbraw/zinc/05/94/60/198059460.db2.gz ZJHHPPFBJFRNJQ-UHFFFAOYSA-N 0 0 314.393 2.441 10 30 DEEERN O=C(NCc1cn2c(n1)CCCC2)N(C[C@@H]1CCOC1)C1CC1 ZINC000328794535 539911094 /nfs/dbraw/zinc/91/10/94/539911094.db2.gz SOROXDYLBFXNOB-ZDUSSCGKSA-N 0 0 318.421 2.134 10 30 DEEERN C[C@H](NC(=O)[C@@H]1CCCOC1)c1nnnn1-c1ccccc1 ZINC000329297688 539917212 /nfs/dbraw/zinc/91/72/12/539917212.db2.gz KYUNRFAZTIRKFU-NWDGAFQWSA-N 0 0 301.350 2.106 10 30 DEEERN C=CCCCN(C)S(=O)(=O)Cc1ccccc1C(=O)OC ZINC000173179119 198192940 /nfs/dbraw/zinc/19/29/40/198192940.db2.gz DVNPQNTXTLSMDS-UHFFFAOYSA-N 0 0 311.403 2.201 10 30 DEEERN CCN1CN(C(=O)NC2CCC(C(F)(F)F)CC2)CC1=O ZINC000330158001 539934695 /nfs/dbraw/zinc/93/46/95/539934695.db2.gz PUWCWQBWNZYPTO-UHFFFAOYSA-N 0 0 307.316 2.143 10 30 DEEERN Cc1nc([C@H](C)NC(=O)N2CC(NC(=O)C3CC3)C2)cs1 ZINC000330285583 539936705 /nfs/dbraw/zinc/93/67/05/539936705.db2.gz ZCTZNHSADSYGEH-QMMMGPOBSA-N 0 0 308.407 2.477 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)c2cnc3c(cnn3C)c2OC)C1 ZINC000617781615 363263004 /nfs/dbraw/zinc/26/30/04/363263004.db2.gz QNAVLVNFRAWFHF-GFCCVEGCSA-N 0 0 314.389 2.405 10 30 DEEERN C=CCCOCCNC(=O)c1cc(C)n([C@H]2CCOC2)c1C ZINC000626273974 366131476 /nfs/dbraw/zinc/13/14/76/366131476.db2.gz PGDUDODDIYODRO-HNNXBMFYSA-N 0 0 306.406 2.389 10 30 DEEERN CC(C)[C@@H](C#N)N1CCN(c2ncnc3c(F)cccc32)CC1 ZINC000617954838 363329460 /nfs/dbraw/zinc/32/94/60/363329460.db2.gz AEJKULAXKFAYCI-OAHLLOKOSA-N 0 0 313.380 2.439 10 30 DEEERN N#Cc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccco2)cc1 ZINC000045408782 354254952 /nfs/dbraw/zinc/25/49/52/354254952.db2.gz QNYJLPNVOLRAOE-OAHLLOKOSA-N 0 0 323.352 2.072 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1cccc(C)c1Br ZINC000626448894 366190693 /nfs/dbraw/zinc/19/06/93/366190693.db2.gz PUUAFQTXKPQPTM-LBPRGKRZSA-N 0 0 312.207 2.353 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(C)n(C[C@@H]2CCCOC2)c1C ZINC000626448511 366191015 /nfs/dbraw/zinc/19/10/15/366191015.db2.gz BYEOCOJPCPMXKB-JKSUJKDBSA-N 0 0 320.433 2.198 10 30 DEEERN C=CCn1nnnc1Sc1cc(C)nc(-c2ccccn2)n1 ZINC000068669812 354826119 /nfs/dbraw/zinc/82/61/19/354826119.db2.gz WCWXDLREKQGHSD-UHFFFAOYSA-N 0 0 311.374 2.171 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000069344563 354861417 /nfs/dbraw/zinc/86/14/17/354861417.db2.gz MMMUIXAERTZLEI-RYUDHWBXSA-N 0 0 323.418 2.054 10 30 DEEERN C=CCC1(NC(=O)Cc2cn3c(n2)CCCC3)CCOCC1 ZINC000618252349 363431691 /nfs/dbraw/zinc/43/16/91/363431691.db2.gz IYGJODZTPUNNIX-UHFFFAOYSA-N 0 0 303.406 2.003 10 30 DEEERN C=CC(C)(C)CNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000453884720 540195587 /nfs/dbraw/zinc/19/55/87/540195587.db2.gz YDFRZJJMNCGZBC-UHFFFAOYSA-N 0 0 321.324 2.429 10 30 DEEERN CCN(CC)C(=O)CCC1CCN(c2cnc(C#N)cn2)CC1 ZINC000129486558 355834523 /nfs/dbraw/zinc/83/45/23/355834523.db2.gz CRLALLLIAXWATI-UHFFFAOYSA-N 0 0 315.421 2.213 10 30 DEEERN COc1c2cnn(C)c2ncc1C(=O)N(C)c1cccc(C#N)c1 ZINC000182398407 356125800 /nfs/dbraw/zinc/12/58/00/356125800.db2.gz ODZSMKBGMDRVQT-UHFFFAOYSA-N 0 0 321.340 2.125 10 30 DEEERN CCC[C@H](C#N)N1CCN(C(=O)c2ccc(Cl)cn2)CC1 ZINC000079729514 191966622 /nfs/dbraw/zinc/96/66/22/191966622.db2.gz JEOFEKXZMCFWKA-CYBMUJFWSA-N 0 0 306.797 2.185 10 30 DEEERN N#C[C@@H]1CCCN1CC(=O)Nc1cccc(Br)c1 ZINC000079808409 191974775 /nfs/dbraw/zinc/97/47/75/191974775.db2.gz CUJOSZHNFMLHFA-LBPRGKRZSA-N 0 0 308.179 2.376 10 30 DEEERN C[C@H](NS(=O)(=O)Cc1ccccc1C#N)c1nccs1 ZINC000080276843 192020091 /nfs/dbraw/zinc/02/00/91/192020091.db2.gz OEFOGISRNGPFLN-JTQLQIEISA-N 0 0 307.400 2.195 10 30 DEEERN C=CC[C@H](C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1)c1ccccc1 ZINC000618324931 363460025 /nfs/dbraw/zinc/46/00/25/363460025.db2.gz BILFWQCKJTUFOL-IMJJTQAJSA-N 0 0 321.442 2.428 10 30 DEEERN CC(C)(C)OC(=O)NCCOc1cc([N+](=O)[O-])ccc1C#N ZINC000218847452 356273714 /nfs/dbraw/zinc/27/37/14/356273714.db2.gz JVIVWBITSRZQSH-UHFFFAOYSA-N 0 0 307.306 2.370 10 30 DEEERN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc(C#N)cn1C ZINC000080940670 192203631 /nfs/dbraw/zinc/20/36/31/192203631.db2.gz FZLZVBXLESPGJQ-UHFFFAOYSA-N 0 0 324.384 2.224 10 30 DEEERN N#Cc1cnc(I)cc1OC(F)(F)F ZINC000238532419 356304168 /nfs/dbraw/zinc/30/41/68/356304168.db2.gz KEAYPLXIJJSBMX-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN N#Cc1cc(OC(F)(F)F)cc(I)n1 ZINC000238532192 356304297 /nfs/dbraw/zinc/30/42/97/356304297.db2.gz BIHKTBWVCYQFSE-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN N#Cc1ncc(OC(F)(F)F)cc1I ZINC000238540108 356304496 /nfs/dbraw/zinc/30/44/96/356304496.db2.gz MISPNMPGKGEJIE-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000081013129 192214991 /nfs/dbraw/zinc/21/49/91/192214991.db2.gz QMHCMOVVXIQVRO-UHFFFAOYSA-N 0 0 305.341 2.012 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000080977977 192207093 /nfs/dbraw/zinc/20/70/93/192207093.db2.gz DXDUZZFDENROIS-UHFFFAOYSA-N 0 0 308.341 2.498 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000080983081 192208892 /nfs/dbraw/zinc/20/88/92/192208892.db2.gz OVCKCWGKUDMHGC-UHFFFAOYSA-N 0 0 308.341 2.498 10 30 DEEERN Cc1ncc(S(=O)(=O)N[C@H](C)c2ccsc2)cc1C#N ZINC000313141838 356413455 /nfs/dbraw/zinc/41/34/55/356413455.db2.gz RBHKOOROMNVEOD-SNVBAGLBSA-N 0 0 307.400 2.363 10 30 DEEERN O=C(C#CBr)Nc1cccnc1Br ZINC000306149547 356402985 /nfs/dbraw/zinc/40/29/85/356402985.db2.gz AIHBBWDNYKORHB-UHFFFAOYSA-N 0 0 303.941 2.138 10 30 DEEERN CCN1CCN(C(=O)Nc2ccc(C)nc2)C[C@H]1c1ncc[nH]1 ZINC000328615940 356460810 /nfs/dbraw/zinc/46/08/10/356460810.db2.gz BEZWZRSDZOTVJA-AWEZNQCLSA-N 0 0 314.393 2.037 10 30 DEEERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)COc1ccccc1C#N ZINC000081449312 192268624 /nfs/dbraw/zinc/26/86/24/192268624.db2.gz HGQOKCJPZQUNJU-LBPRGKRZSA-N 0 0 318.373 2.126 10 30 DEEERN C=CCCn1cc(C(=O)N[C@H]2C[C@H](Oc3ccccc3)C2)nn1 ZINC000618417831 363488899 /nfs/dbraw/zinc/48/88/99/363488899.db2.gz VFRYWUIKZYGANU-CTYIDZIISA-N 0 0 312.373 2.194 10 30 DEEERN C=CCOCCCNC(=O)c1cccc(C(=O)NCCC)c1 ZINC000618523357 363515466 /nfs/dbraw/zinc/51/54/66/363515466.db2.gz FJZKONOEKCSIKO-UHFFFAOYSA-N 0 0 304.390 2.149 10 30 DEEERN C=CCOCCCNC(=O)c1ccc2c(c1O)OC(C)(C)C2 ZINC000618527010 363516902 /nfs/dbraw/zinc/51/69/02/363516902.db2.gz XZHJVJSAQFOAMF-UHFFFAOYSA-N 0 0 305.374 2.428 10 30 DEEERN C=CCOCCCNC(=O)[C@H]1CCCN(c2ccccc2)C1=O ZINC000618526268 363517819 /nfs/dbraw/zinc/51/78/19/363517819.db2.gz QVPOVUWJHQTFNP-MRXNPFEDSA-N 0 0 316.401 2.139 10 30 DEEERN C=CCNC(=O)Cc1noc([C@H]2C[C@@]2(F)c2ccccc2)n1 ZINC000351201384 356630197 /nfs/dbraw/zinc/63/01/97/356630197.db2.gz CCLFGDKFQHDHAD-MLGOLLRUSA-N 0 0 301.321 2.267 10 30 DEEERN C=CCC1(c2nc([C@@H]3CC(=O)N(C4CC4)C3)no2)CCOCC1 ZINC000351298581 356650202 /nfs/dbraw/zinc/65/02/02/356650202.db2.gz PHSQOBBHIIKDFR-GFCCVEGCSA-N 0 0 317.389 2.172 10 30 DEEERN C=CCNC(=O)CSc1cc(Br)ccc1N ZINC000086479466 192577240 /nfs/dbraw/zinc/57/72/40/192577240.db2.gz JTCJJDHPSVAJBB-UHFFFAOYSA-N 0 0 301.209 2.426 10 30 DEEERN Cc1ncc(S(=O)(=O)N2CCCC(C)(C)CC2)cc1C#N ZINC000386806103 356699453 /nfs/dbraw/zinc/69/94/53/356699453.db2.gz OWEXAMWUFIWUGU-UHFFFAOYSA-N 0 0 307.419 2.463 10 30 DEEERN N#Cc1ccc(C(F)(F)F)c(S(N)(=O)=O)c1C(F)(F)F ZINC000514280401 356741781 /nfs/dbraw/zinc/74/17/81/356741781.db2.gz TZKOFMKIYNQQIN-UHFFFAOYSA-N 0 0 318.198 2.243 10 30 DEEERN C=CCC1(C(=O)N[C@H]2COc3ccccc3C2=O)CCOCC1 ZINC000578436243 356816479 /nfs/dbraw/zinc/81/64/79/356816479.db2.gz ICCBMQCBUWICRZ-AWEZNQCLSA-N 0 0 315.369 2.119 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCOC2(CCCCC2)C1 ZINC000578621046 356846047 /nfs/dbraw/zinc/84/60/47/356846047.db2.gz GPJHVBVTVUYPTD-GJZGRUSLSA-N 0 0 308.422 2.322 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N(C)c1ccc(C(F)(F)F)nn1 ZINC000578710851 356858010 /nfs/dbraw/zinc/85/80/10/356858010.db2.gz SWZJXTBZDIGSQY-VIFPVBQESA-N 0 0 303.284 2.439 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCOC[C@H](C2CCC2)C1 ZINC000581306829 357164519 /nfs/dbraw/zinc/16/45/19/357164519.db2.gz GVPDCENPPNZGLI-XHSDSOJGSA-N 0 0 308.422 2.036 10 30 DEEERN C=CCCS(=O)(=O)N1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000584718536 357297027 /nfs/dbraw/zinc/29/70/27/357297027.db2.gz VBHCTPQQAMXHOC-STQMWFEESA-N 0 0 317.451 2.192 10 30 DEEERN C[C@H](C(=O)Nc1csc(-c2ccccc2)n1)n1cnc(C#N)n1 ZINC000588079685 357393200 /nfs/dbraw/zinc/39/32/00/357393200.db2.gz XNYQYNSROXREKE-SNVBAGLBSA-N 0 0 324.369 2.473 10 30 DEEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(CCC#N)CCOC ZINC000589644067 357485647 /nfs/dbraw/zinc/48/56/47/357485647.db2.gz SCPTWVILBMDXLP-UHFFFAOYSA-N 0 0 315.377 2.481 10 30 DEEERN C=CCOC[C@H](N[C@@H]1CCCc2ccccc2C1)C(=O)OC ZINC000590652741 357572684 /nfs/dbraw/zinc/57/26/84/357572684.db2.gz VAAZSLHLPQVCHH-SJORKVTESA-N 0 0 303.402 2.268 10 30 DEEERN C=C(C)COCCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593567741 358104061 /nfs/dbraw/zinc/10/40/61/358104061.db2.gz SRUVJOFNNWMEBS-UHFFFAOYSA-N 0 0 322.430 2.359 10 30 DEEERN C=CCCn1cc(C[S@@](=O)Cc2ccccc2OC)nn1 ZINC000593937465 358174595 /nfs/dbraw/zinc/17/45/95/358174595.db2.gz WQNCXIOWIFAIKU-NRFANRHFSA-N 0 0 305.403 2.312 10 30 DEEERN C=CCCn1cc(C[S@@](=O)Cc2nc(C)c(C)s2)nn1 ZINC000593936702 358174972 /nfs/dbraw/zinc/17/49/72/358174972.db2.gz YLFQBPQJXWYOLW-HXUWFJFHSA-N 0 0 310.448 2.376 10 30 DEEERN C=CCCn1cc(CSCC(=O)N2CCCC[C@@H]2C)nn1 ZINC000594564540 358294884 /nfs/dbraw/zinc/29/48/84/358294884.db2.gz YTNYGQDWECDGBA-ZDUSSCGKSA-N 0 0 308.451 2.488 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000595074015 358386639 /nfs/dbraw/zinc/38/66/39/358386639.db2.gz VAZHUGHJSPMOIP-OCCSQVGLSA-N 0 0 312.373 2.143 10 30 DEEERN CN1CCN(Cc2ccccc2)[C@H](CNc2ncccc2C#N)C1 ZINC000596553291 358712430 /nfs/dbraw/zinc/71/24/30/358712430.db2.gz YKWGRHXLHFWPOZ-GOSISDBHSA-N 0 0 321.428 2.181 10 30 DEEERN C=CCSCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1CC=C ZINC000597217502 358858050 /nfs/dbraw/zinc/85/80/50/358858050.db2.gz DGCXQZFBZRBVFU-KGLIPLIRSA-N 0 0 310.463 2.273 10 30 DEEERN C=CCCC1(CNC(=O)C(=O)NCCCSC)CCCC1 ZINC000597179466 358846372 /nfs/dbraw/zinc/84/63/72/358846372.db2.gz UBKUEPCQFZWCPA-UHFFFAOYSA-N 0 0 312.479 2.499 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC1(SC)CC1 ZINC000597318587 358887580 /nfs/dbraw/zinc/88/75/80/358887580.db2.gz DUJRBBBWWDSYKR-QWHCGFSZSA-N 0 0 310.463 2.249 10 30 DEEERN C=CCOC[C@H](NC(=O)C1CC2(C1)CCCCC2)C(=O)OC ZINC000597606152 358961398 /nfs/dbraw/zinc/96/13/98/358961398.db2.gz FACXJJXZJYWYGZ-AWEZNQCLSA-N 0 0 309.406 2.207 10 30 DEEERN C=CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)[C@@H](C)COC ZINC000597951839 359050817 /nfs/dbraw/zinc/05/08/17/359050817.db2.gz LKWMAYZWUDAZBV-UONOGXRCSA-N 0 0 302.374 2.375 10 30 DEEERN C=CCC[C@@H](NC(=O)c1onc2c1CCCC2)C(=O)OCC ZINC000597731396 358992593 /nfs/dbraw/zinc/99/25/93/358992593.db2.gz AWGSKJBEQQGXAA-CYBMUJFWSA-N 0 0 306.362 2.181 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1(C(=O)OC(C)(C)C)CC=CC1 ZINC000597795119 359008459 /nfs/dbraw/zinc/00/84/59/359008459.db2.gz XEWPEMNMHONALQ-KBPBESRZSA-N 0 0 321.417 2.372 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CSc1nc2ccccc2s1 ZINC000185840705 199894127 /nfs/dbraw/zinc/89/41/27/199894127.db2.gz XMHFJJPRPGIGEN-JTQLQIEISA-N 0 0 308.428 2.442 10 30 DEEERN C=CCOCCCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000598207545 359122510 /nfs/dbraw/zinc/12/25/10/359122510.db2.gz SDUVLLFTJZKLLI-UHFFFAOYSA-N 0 0 308.334 2.234 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1c(F)cccc1Br ZINC000185917370 199903512 /nfs/dbraw/zinc/90/35/12/199903512.db2.gz SDWDJOWXKZOOIW-MRVPVSSYSA-N 0 0 302.143 2.255 10 30 DEEERN C=C[C@H](CO)NC(=O)C1(C(=O)OC(C)(C)C)C(C)(C)C1(C)C ZINC000598460732 359208950 /nfs/dbraw/zinc/20/89/50/359208950.db2.gz XARDIOREAVOPLX-LLVKDONJSA-N 0 0 311.422 2.044 10 30 DEEERN C=CCSCCNC(=O)N1Cc2ccccc2N(C)C(=O)C1 ZINC000598932391 359360019 /nfs/dbraw/zinc/36/00/19/359360019.db2.gz FTCJFDUGIVRJRA-UHFFFAOYSA-N 0 0 319.430 2.094 10 30 DEEERN N#Cc1cc(Br)cnc1N1CCO[C@@H](CCF)C1 ZINC000599169042 359423052 /nfs/dbraw/zinc/42/30/52/359423052.db2.gz PETXHQIBEQMPMF-NSHDSACASA-N 0 0 314.158 2.281 10 30 DEEERN N#Cc1cc(F)c(N[C@@H]2CCOC[C@@H]2O)cc1Br ZINC000599175615 359425625 /nfs/dbraw/zinc/42/56/25/359425625.db2.gz FHUBONVASVBYGT-PWSUYJOCSA-N 0 0 315.142 2.022 10 30 DEEERN C=CCOCCCNC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000599107394 359404620 /nfs/dbraw/zinc/40/46/20/359404620.db2.gz JDRCFGSAMISHQR-UHFFFAOYSA-N 0 0 313.401 2.413 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000599374942 359482533 /nfs/dbraw/zinc/48/25/33/359482533.db2.gz ODSACDHCPKUQPY-LBPRGKRZSA-N 0 0 308.378 2.425 10 30 DEEERN C=CCOC[C@H](NC(=O)CC1CCC(F)(F)CC1)C(=O)OC ZINC000599882343 359616403 /nfs/dbraw/zinc/61/64/03/359616403.db2.gz YXUNAYTWXVBHDL-LBPRGKRZSA-N 0 0 319.348 2.062 10 30 DEEERN C=CCOCCCC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187558737 200127727 /nfs/dbraw/zinc/12/77/27/200127727.db2.gz OHLWEHQZBJFBKZ-GJZGRUSLSA-N 0 0 309.431 2.265 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cncc(OCCC)c1 ZINC000627547784 366546648 /nfs/dbraw/zinc/54/66/48/366546648.db2.gz OTMFOMYBKSAVPX-CQSZACIVSA-N 0 0 317.389 2.376 10 30 DEEERN C=CCC1(C(=O)N2CCO[C@H](c3nnc(CC)[nH]3)C2)CCC1 ZINC000188398997 200239658 /nfs/dbraw/zinc/23/96/58/200239658.db2.gz PUXDMWULQDFURZ-LBPRGKRZSA-N 0 0 304.394 2.013 10 30 DEEERN C=CCC1(CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)CCCC1 ZINC000627661981 366584573 /nfs/dbraw/zinc/58/45/73/366584573.db2.gz YXUGZOIAGXEHSD-AWEZNQCLSA-N 0 0 318.421 2.181 10 30 DEEERN CC(=O)N1CCN(Cc2cccc(-c3cncc(C#N)c3)c2)CC1 ZINC000600793284 359830321 /nfs/dbraw/zinc/83/03/21/359830321.db2.gz KETHHUVZVJINOG-UHFFFAOYSA-N 0 0 320.396 2.284 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc2nccnc2c1 ZINC000627688224 366592632 /nfs/dbraw/zinc/59/26/32/366592632.db2.gz VKYBTRWGEOYDSL-UHFFFAOYSA-N 0 0 312.373 2.287 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(-n3cccn3)cc2)C1 ZINC000627733997 366603529 /nfs/dbraw/zinc/60/35/29/366603529.db2.gz IWVCFBGERDJLDF-AWEZNQCLSA-N 0 0 324.384 2.235 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2nc(CCC)cs2)C1 ZINC000627733610 366603749 /nfs/dbraw/zinc/60/37/49/366603749.db2.gz YQIMAUSTYWZVCG-LLVKDONJSA-N 0 0 307.419 2.459 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2N(C)C)C1 ZINC000627736068 366604379 /nfs/dbraw/zinc/60/43/79/366604379.db2.gz LZMGROGMGZPWMS-CYBMUJFWSA-N 0 0 301.390 2.116 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601407488 360033545 /nfs/dbraw/zinc/03/35/45/360033545.db2.gz TVEQELDZUOKHPE-CYBMUJFWSA-N 0 0 318.373 2.317 10 30 DEEERN C=CCC[C@@H](NC(=O)c1[nH]ncc1C(F)(F)F)C(=O)OCC ZINC000601619666 360090269 /nfs/dbraw/zinc/09/02/69/360090269.db2.gz GDKKEWSJZBYWKG-SECBINFHSA-N 0 0 319.283 2.056 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1 ZINC000601664577 360105074 /nfs/dbraw/zinc/10/50/74/360105074.db2.gz NQTUQKFDGXWFJG-GZBLMMOJSA-N 0 0 309.406 2.204 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cc1cc(C)ccc1OC)C(=O)OC ZINC000601771549 360140339 /nfs/dbraw/zinc/14/03/39/360140339.db2.gz IEOWYAGIJQZOPY-CQSZACIVSA-N 0 0 305.374 2.170 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCc1ccc(OC)cc1)C(=O)OC ZINC000601771556 360140351 /nfs/dbraw/zinc/14/03/51/360140351.db2.gz IKDHDRATLDXBTM-HNNXBMFYSA-N 0 0 305.374 2.252 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCC(=O)c1cccs1)C(=O)OC ZINC000601771029 360140376 /nfs/dbraw/zinc/14/03/76/360140376.db2.gz HEZNFTQCIWXHPP-LLVKDONJSA-N 0 0 309.387 2.335 10 30 DEEERN CC#CCCCC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601781384 360145504 /nfs/dbraw/zinc/14/55/04/360145504.db2.gz VVISAFIBOZRTAY-INIZCTEOSA-N 0 0 304.346 2.112 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H]1CCc2cccc(OC)c21)C(=O)OC ZINC000601780884 360145529 /nfs/dbraw/zinc/14/55/29/360145529.db2.gz DVOFGTPJHVEDHE-KBPBESRZSA-N 0 0 317.385 2.349 10 30 DEEERN C=C(C)C[C@H](NC(=O)CNc1c(C)cccc1C)C(=O)OC ZINC000601781706 360145673 /nfs/dbraw/zinc/14/56/73/360145673.db2.gz KCCPBCUOOQUSAO-AWEZNQCLSA-N 0 0 304.390 2.339 10 30 DEEERN C=C(C)C[C@H](NC(=O)C[C@H]1OCCc2ccccc21)C(=O)OC ZINC000601780969 360145895 /nfs/dbraw/zinc/14/58/95/360145895.db2.gz GGXOYGCYWKFUIB-JKSUJKDBSA-N 0 0 317.385 2.315 10 30 DEEERN C=C(C)C[C@H](NC(=O)CSc1ccc(O)cc1)C(=O)OC ZINC000601780979 360146022 /nfs/dbraw/zinc/14/60/22/360146022.db2.gz GKNMACGAHCOCKP-ZDUSSCGKSA-N 0 0 309.387 2.108 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(C)cc(C(=O)OC)c1)C(=O)OC ZINC000601784058 360147652 /nfs/dbraw/zinc/14/76/52/360147652.db2.gz GLPUDDANEIWGLW-CQSZACIVSA-N 0 0 319.357 2.019 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H]1CCOc2ccccc21)C(=O)OC ZINC000601785154 360148499 /nfs/dbraw/zinc/14/84/99/360148499.db2.gz JZFBFEJQTZXHOO-KBPBESRZSA-N 0 0 303.358 2.177 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cnc2n1[C@@H](C)CCC2)C(=O)OC ZINC000601784987 360148639 /nfs/dbraw/zinc/14/86/39/360148639.db2.gz OLSVKVINYPMWPA-RYUDHWBXSA-N 0 0 305.378 2.018 10 30 DEEERN C=C[C@@](C)(O)CC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000601834457 360169078 /nfs/dbraw/zinc/16/90/78/360169078.db2.gz YGSVJAUWQUSXIV-JJRVBVJISA-N 0 0 303.358 2.229 10 30 DEEERN C=CCn1cc(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)nn1 ZINC000619108381 363708381 /nfs/dbraw/zinc/70/83/81/363708381.db2.gz OWODFRYZLNBCEU-ZIAGYGMSSA-N 0 0 318.421 2.320 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602182532 360302239 /nfs/dbraw/zinc/30/22/39/360302239.db2.gz FKBVMXMVBMOGBD-SFHVURJKSA-N 0 0 313.401 2.288 10 30 DEEERN C=CCC[C@H](NC(=O)c1coc(C(F)(F)F)n1)C(=O)OCC ZINC000602161827 360293204 /nfs/dbraw/zinc/29/32/04/360293204.db2.gz WKFHDTRGVNKUCD-QMMMGPOBSA-N 0 0 320.267 2.321 10 30 DEEERN C=CCC1(CNC(=O)N2C[C@@H](C)O[C@H](C(=O)OC)C2)CCCC1 ZINC000602323412 360339439 /nfs/dbraw/zinc/33/94/39/360339439.db2.gz GMXUTDRWSLZWRA-KGLIPLIRSA-N 0 0 324.421 2.095 10 30 DEEERN C=CCCN(C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000276076541 212663057 /nfs/dbraw/zinc/66/30/57/212663057.db2.gz KPTDIGYZEWVVBK-AWEZNQCLSA-N 0 0 303.406 2.491 10 30 DEEERN C=CCCN(C)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000276076550 212661973 /nfs/dbraw/zinc/66/19/73/212661973.db2.gz KPTDIGYZEWVVBK-CQSZACIVSA-N 0 0 303.406 2.491 10 30 DEEERN C=C(C)C[C@@H](NCc1ccc(Br)cn1)C(=O)OC ZINC000602733614 360525108 /nfs/dbraw/zinc/52/51/08/360525108.db2.gz JURRKFLWGABDBZ-GFCCVEGCSA-N 0 0 313.195 2.442 10 30 DEEERN C=C(C)C[C@@H](NCc1cc(F)c(OC)cc1OC)C(=O)OC ZINC000602738356 360528481 /nfs/dbraw/zinc/52/84/81/360528481.db2.gz JCOLQRDZQSNCAR-CYBMUJFWSA-N 0 0 311.353 2.440 10 30 DEEERN C=C(C)[C@H](CO)N[C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000602937006 360634813 /nfs/dbraw/zinc/63/48/13/360634813.db2.gz HTMNRCHHULHCKS-CVEARBPZSA-N 0 0 305.418 2.466 10 30 DEEERN CO[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000191055843 200623411 /nfs/dbraw/zinc/62/34/11/200623411.db2.gz KLFXYYJYMIAPBD-WDEREUQCSA-N 0 0 314.794 2.057 10 30 DEEERN C=CCCCN(C)C(=O)C1(S(=O)(=O)c2ccccc2)CC1 ZINC000605677312 360986209 /nfs/dbraw/zinc/98/62/09/360986209.db2.gz NLPOTYRZWUJBRD-UHFFFAOYSA-N 0 0 307.415 2.418 10 30 DEEERN C[C@H]1Cc2ccccc2N1CCNC(=O)c1ccnc(C#N)c1 ZINC000192970663 200970049 /nfs/dbraw/zinc/97/00/49/200970049.db2.gz KPCUKDQIKYCOLM-ZDUSSCGKSA-N 0 0 306.369 2.134 10 30 DEEERN CC[C@H]1CO[C@H](C)CN1C(=O)NCc1ccc(C#N)cc1F ZINC000609253725 361292162 /nfs/dbraw/zinc/29/21/62/361292162.db2.gz IVMIUDCJNRPBNG-RISCZKNCSA-N 0 0 305.353 2.406 10 30 DEEERN C=CCN(C(=O)[C@@H]1COc2cc(F)ccc2C1)[C@H](C)COC ZINC000628054737 366706006 /nfs/dbraw/zinc/70/60/06/366706006.db2.gz BTRQPJTWJWYWLG-OCCSQVGLSA-N 0 0 307.365 2.426 10 30 DEEERN C[C@]1(O)CCCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000619362809 363773113 /nfs/dbraw/zinc/77/31/13/363773113.db2.gz AFAQAGMCJVZSFK-INIZCTEOSA-N 0 0 305.353 2.144 10 30 DEEERN C=C(C)[C@H](CO)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000619297706 363759401 /nfs/dbraw/zinc/75/94/01/363759401.db2.gz HSTNEQDPLHLKLX-SJORKVTESA-N 0 0 319.836 2.459 10 30 DEEERN CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccnc(C#N)c1 ZINC000193616330 201088427 /nfs/dbraw/zinc/08/84/27/201088427.db2.gz VNGIQIHJJMVJOV-QGZVFWFLSA-N 0 0 309.369 2.367 10 30 DEEERN CC(=O)N1CCC(CNc2cc(C#N)nc3ccccc32)CC1 ZINC000610278753 361378997 /nfs/dbraw/zinc/37/89/97/361378997.db2.gz BKJKGKJDSDDJLE-UHFFFAOYSA-N 0 0 308.385 2.199 10 30 DEEERN Cn1ccnc1C[C@H](NC(=O)CSCC#N)c1ccccc1 ZINC000610303990 361383707 /nfs/dbraw/zinc/38/37/07/361383707.db2.gz AGGIURLJYCVSSA-AWEZNQCLSA-N 0 0 314.414 2.077 10 30 DEEERN COc1ccc(CN2C(=O)N[C@@](C)(C(C)(C)C)C2=O)cc1C#N ZINC000193740224 201115145 /nfs/dbraw/zinc/11/51/45/201115145.db2.gz TUAJSNARQQQINC-QGZVFWFLSA-N 0 0 315.373 2.423 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NC[C@]1(C)COc2ccccc2O1 ZINC000628326795 366813189 /nfs/dbraw/zinc/81/31/89/366813189.db2.gz WGPHJSARHZMCDN-SUMWQHHRSA-N 0 0 305.374 2.314 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000628315325 366805891 /nfs/dbraw/zinc/80/58/91/366805891.db2.gz HTPILUMSGJOEGF-UHFFFAOYSA-N 0 0 306.410 2.225 10 30 DEEERN C=CC(C)(C)CCNC(=O)CN1C(=O)c2ccc(C)cc2C1=O ZINC000628317951 366807739 /nfs/dbraw/zinc/80/77/39/366807739.db2.gz IFHKQDFNLQYILY-UHFFFAOYSA-N 0 0 314.385 2.310 10 30 DEEERN COC(=O)[C@H](NC(=O)c1sccc1C#N)c1ccccc1F ZINC000610696180 361447626 /nfs/dbraw/zinc/44/76/26/361447626.db2.gz HVZMCXUJJSGRMN-GFCCVEGCSA-N 0 0 318.329 2.403 10 30 DEEERN CCOc1cccc(CCNC(=O)c2cc(C#N)cs2)n1 ZINC000610760380 361462184 /nfs/dbraw/zinc/46/21/84/361462184.db2.gz DLRICBDQFPEMAZ-UHFFFAOYSA-N 0 0 301.371 2.386 10 30 DEEERN Cn1nc2c(c1C(=O)NCc1ccc(C#N)cc1F)CCCC2 ZINC000610805720 361470014 /nfs/dbraw/zinc/47/00/14/361470014.db2.gz GUGPDLMSRVRLJP-UHFFFAOYSA-N 0 0 312.348 2.240 10 30 DEEERN N#Cc1cc2c(nc1NC(=O)COCC(F)(F)F)CCCC2 ZINC000611408399 361594050 /nfs/dbraw/zinc/59/40/50/361594050.db2.gz LHSTUKWCZQAYDV-UHFFFAOYSA-N 0 0 313.279 2.349 10 30 DEEERN CCc1nn(C)cc1NC(=O)NCc1ccc(C#N)cc1F ZINC000611359201 361586136 /nfs/dbraw/zinc/58/61/36/361586136.db2.gz FWOIXLKNSUMIQU-UHFFFAOYSA-N 0 0 301.325 2.315 10 30 DEEERN CC1(C#N)CCN(C(=O)NCCN2Cc3ccccc3C2)CC1 ZINC000611543818 361626733 /nfs/dbraw/zinc/62/67/33/361626733.db2.gz HTSZIWBYIHFXSY-UHFFFAOYSA-N 0 0 312.417 2.337 10 30 DEEERN C=CCOCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611564546 361632574 /nfs/dbraw/zinc/63/25/74/361632574.db2.gz YBIZBQPKUDGYLR-UHFFFAOYSA-N 0 0 319.361 2.471 10 30 DEEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCCOC(C)(C)C1 ZINC000611541920 361625821 /nfs/dbraw/zinc/62/58/21/361625821.db2.gz JOAGVIQDHUNDDR-KRWDZBQOSA-N 0 0 324.421 2.276 10 30 DEEERN C=C(C)CN(CC)c1nnc(-c2cc[nH]n2)n1C[C@@H]1CCCO1 ZINC000611909635 361703807 /nfs/dbraw/zinc/70/38/07/361703807.db2.gz WILHILXETVGXAM-ZDUSSCGKSA-N 0 0 316.409 2.250 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1cc(F)ccc1F ZINC000611843421 361694470 /nfs/dbraw/zinc/69/44/70/361694470.db2.gz AJSYPWFIXFUTKD-OAHLLOKOSA-N 0 0 310.344 2.094 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H](C)COCC1CC1 ZINC000612034636 361727582 /nfs/dbraw/zinc/72/75/82/361727582.db2.gz YOAQSRSYLOLCLP-IMJJTQAJSA-N 0 0 322.449 2.169 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1OC ZINC000612033264 361727986 /nfs/dbraw/zinc/72/79/86/361727986.db2.gz KEFAIAARETWSKV-CAOSSQGBSA-N 0 0 322.449 2.311 10 30 DEEERN C[C@@H](C(=O)N1CC(C)(C)[C@H]1c1ccccc1)n1cnc(C#N)n1 ZINC000619588429 363835551 /nfs/dbraw/zinc/83/55/51/363835551.db2.gz ABASPMUVVIEKSG-SWLSCSKDSA-N 0 0 309.373 2.320 10 30 DEEERN Cn1cc(C(=O)N[C@]2(C#N)CCSC2)c2cc(F)ccc21 ZINC000619541766 363820983 /nfs/dbraw/zinc/82/09/83/363820983.db2.gz WMPTYLQSWFIJBY-HNNXBMFYSA-N 0 0 303.362 2.446 10 30 DEEERN C=C[C@H](C(=O)OC)n1nnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000619686390 363854361 /nfs/dbraw/zinc/85/43/61/363854361.db2.gz FRKLIOXNTNOHAJ-SNVBAGLBSA-N 0 0 312.251 2.259 10 30 DEEERN CC[C@@H]1c2ccccc2CCN1C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000619592647 363836753 /nfs/dbraw/zinc/83/67/53/363836753.db2.gz QDDUTXWFQSWWSS-SWLSCSKDSA-N 0 0 309.373 2.247 10 30 DEEERN C[C@@H](C(=O)N1CCC(c2ccsc2)CC1)n1cnc(C#N)n1 ZINC000619599407 363837508 /nfs/dbraw/zinc/83/75/08/363837508.db2.gz WOHBEMQGHSSYBI-NSHDSACASA-N 0 0 315.402 2.178 10 30 DEEERN C=C[C@@H](CC(=O)NCC1(S(=O)(=O)CC)CC1)c1ccccc1 ZINC000620050483 363943502 /nfs/dbraw/zinc/94/35/02/363943502.db2.gz GZCLFCXQQZBDSC-AWEZNQCLSA-N 0 0 321.442 2.430 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cnnn2)c(C)c1 ZINC000620314753 364014359 /nfs/dbraw/zinc/01/43/59/364014359.db2.gz PIRZUBUTBMRYRV-GASCZTMLSA-N 0 0 309.373 2.294 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(S(C)(=O)=O)s1 ZINC000620301883 364012851 /nfs/dbraw/zinc/01/28/51/364012851.db2.gz MGIRYBUEVDDPMQ-PHIMTYICSA-N 0 0 311.428 2.475 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000620809135 364165984 /nfs/dbraw/zinc/16/59/84/364165984.db2.gz LLYAXIYHOHWLLI-YFKTTZPYSA-N 0 0 307.312 2.146 10 30 DEEERN C=CCNC(=O)CN1CCN(Cc2ccc(CCC)s2)CC1 ZINC000621710890 364520485 /nfs/dbraw/zinc/52/04/85/364520485.db2.gz VSUQSUXWNBYKEY-UHFFFAOYSA-N 0 0 321.490 2.120 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2ccc(C)c(S(C)(=O)=O)c2)C1 ZINC000628485601 366863872 /nfs/dbraw/zinc/86/38/72/366863872.db2.gz PEPHQBSVLQRDQJ-ZDUSSCGKSA-N 0 0 307.415 2.437 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 ZINC000628487180 366865595 /nfs/dbraw/zinc/86/55/95/366865595.db2.gz ZHWUPZJPODEDEV-ZDUSSCGKSA-N 0 0 301.390 2.289 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCc2c1c(F)ccc2F ZINC000622877439 364818782 /nfs/dbraw/zinc/81/87/82/364818782.db2.gz NITOVUXTHVTGJX-AWEZNQCLSA-N 0 0 308.328 2.325 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cn(-c3cccc(OC)c3)nn2)C1 ZINC000628493328 366867213 /nfs/dbraw/zinc/86/72/13/366867213.db2.gz NPDAUEKRIDQCDI-ZDUSSCGKSA-N 0 0 312.373 2.314 10 30 DEEERN C=C[C@@H](C)NC(=O)NCc1cc(Br)cnc1OC ZINC000623746296 365159709 /nfs/dbraw/zinc/15/97/09/365159709.db2.gz BPWBCKLHRUDOBQ-MRVPVSSYSA-N 0 0 314.183 2.226 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)C1 ZINC000624076853 365277565 /nfs/dbraw/zinc/27/75/65/365277565.db2.gz GJBWFRCQGKIOSE-QBPKDAKJSA-N 0 0 319.449 2.241 10 30 DEEERN C=CCC(C)(C)CNC(=O)N[C@H]1CCO[C@H]1c1nc(C)no1 ZINC000624112869 365293845 /nfs/dbraw/zinc/29/38/45/365293845.db2.gz NXEPPMABIHCWME-NWDGAFQWSA-N 0 0 308.382 2.110 10 30 DEEERN N#C[C@@H]1CNCCN1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000091748235 193100950 /nfs/dbraw/zinc/10/09/50/193100950.db2.gz XLBDCFGPKUZJNS-CYBMUJFWSA-N 0 0 302.765 2.292 10 30 DEEERN CCOC(=O)CN(Cc1cnc2ccc(C#N)cn12)CC(C)C ZINC000091789739 193108141 /nfs/dbraw/zinc/10/81/41/193108141.db2.gz BYKRSGPNHHLZHC-UHFFFAOYSA-N 0 0 314.389 2.227 10 30 DEEERN COc1ccc(Br)cc1[C@@H](O)[C@]1(C#N)CCOC1 ZINC000091879591 193122122 /nfs/dbraw/zinc/12/21/22/193122122.db2.gz DSXPCPVMTOYJRA-OLZOCXBDSA-N 0 0 312.163 2.421 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCCC[C@@H]1CS(C)(=O)=O ZINC000624462751 365429776 /nfs/dbraw/zinc/42/97/76/365429776.db2.gz BZTSIIKHZMIFMX-CYBMUJFWSA-N 0 0 316.467 2.197 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)Oc1ccc(F)cc1C(N)=O ZINC000629382331 367183809 /nfs/dbraw/zinc/18/38/09/367183809.db2.gz XUMLOVQNYOPIJP-LLVKDONJSA-N 0 0 308.353 2.117 10 30 DEEERN COC[C@@H](NC(=O)c1ccc(C#N)n1C)c1ccc(F)c(F)c1 ZINC000450391531 241779082 /nfs/dbraw/zinc/77/90/82/241779082.db2.gz NEJONDQGJYJJRA-CQSZACIVSA-N 0 0 319.311 2.292 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(OC)ccc1OC(F)(F)F ZINC000450845015 242301935 /nfs/dbraw/zinc/30/19/35/242301935.db2.gz MDWULYGNDLLQEQ-SECBINFHSA-N 0 0 319.279 2.261 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2ccc(F)c(NC(C)=O)c2)C1=O ZINC000630501538 367691909 /nfs/dbraw/zinc/69/19/09/367691909.db2.gz JBRXIHPFJBUWBP-ZDUSSCGKSA-N 0 0 305.309 2.175 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2cccc3c2OCCCO3)C1=O ZINC000630966495 367940300 /nfs/dbraw/zinc/94/03/00/367940300.db2.gz CPOUIJWVGZPVRD-CYBMUJFWSA-N 0 0 316.357 2.235 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2cnn(Cc3ccccc3)c2)C1=O ZINC000630967539 367941659 /nfs/dbraw/zinc/94/16/59/367941659.db2.gz LRQNTXHFIGEYHD-MRXNPFEDSA-N 0 0 324.384 2.318 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2cn(C)nc2-c2ccccc2)C1=O ZINC000630974593 367945226 /nfs/dbraw/zinc/94/52/26/367945226.db2.gz FXLXBKSONAUCKA-OAHLLOKOSA-N 0 0 324.384 2.474 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2CCOc3cc(OC)ccc32)C1=O ZINC000630976252 367946361 /nfs/dbraw/zinc/94/63/61/367946361.db2.gz NFNCWGKTUNVAMX-UONOGXRCSA-N 0 0 316.357 2.405 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H](C)c2nc(C(C)(C)C)no2)C1=O ZINC000630978627 367947974 /nfs/dbraw/zinc/94/79/74/367947974.db2.gz JBEBFHOTKLTYGU-NXEZZACHSA-N 0 0 306.366 2.315 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H]2CCN(c3ccccc3F)C2)C1=O ZINC000630985559 367950725 /nfs/dbraw/zinc/95/07/25/367950725.db2.gz XEOIVQNZIFPIAH-GXTWGEPZSA-N 0 0 317.364 2.291 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2CCO[C@H](c3ccncc3)C2)C1=O ZINC000630988243 367953145 /nfs/dbraw/zinc/95/31/45/367953145.db2.gz SHSLVCFNKMDDNT-KFWWJZLASA-N 0 0 315.373 2.188 10 30 DEEERN C=CCN1CC[C@@H](N(C)c2nc(C(C)C)nc3[nH]ccc32)C1=O ZINC000631263435 368110406 /nfs/dbraw/zinc/11/04/06/368110406.db2.gz PWTZTOGXSHREGE-CYBMUJFWSA-N 0 0 313.405 2.304 10 30 DEEERN C=C1CC(C)(C(=O)NCc2c(C)nc3cc(=O)[nH]n3c2C)C1 ZINC000631293956 368128238 /nfs/dbraw/zinc/12/82/38/368128238.db2.gz JGIAOPKJCOJZAQ-UHFFFAOYSA-N 0 0 300.362 2.024 10 30 DEEERN CC[C@H](C#N)N1CCN(C(=O)c2ccc(SC)cc2)CC1 ZINC000092213133 193173548 /nfs/dbraw/zinc/17/35/48/193173548.db2.gz ZBNYAGLLPYYBLX-CQSZACIVSA-N 0 0 303.431 2.468 10 30 DEEERN C=C1CC(C)(C(=O)NC[C@@H](CO)Cc2ccc(OC)c(O)c2)C1 ZINC000631818011 368401633 /nfs/dbraw/zinc/40/16/33/368401633.db2.gz ZKPMASFWGSIBJR-AWEZNQCLSA-N 0 0 319.401 2.024 10 30 DEEERN C=C1CC(C)(C(=O)N2CCC[C@@H]2CC(=O)c2cnn(C)c2)C1 ZINC000631996701 368486485 /nfs/dbraw/zinc/48/64/85/368486485.db2.gz JHOHRXIKYHSUSI-CQSZACIVSA-N 0 0 301.390 2.340 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@H](CC)C(F)F)cc2C1=O ZINC000452248651 244071208 /nfs/dbraw/zinc/07/12/08/244071208.db2.gz OUZYHSCOZQRNQL-GFCCVEGCSA-N 0 0 322.311 2.242 10 30 DEEERN C=CCc1ccc(OCC(=O)N2CCC[C@@H](O)[C@H]2C)c(OC)c1 ZINC000452708866 244526493 /nfs/dbraw/zinc/52/64/93/244526493.db2.gz QOEAAHYSYWFVJE-UKRRQHHQSA-N 0 0 319.401 2.174 10 30 DEEERN CCCc1cc(=O)[nH]c(S[C@H]2CCC[C@](C#N)(NC)C2)n1 ZINC000093746885 193299549 /nfs/dbraw/zinc/29/95/49/193299549.db2.gz QIXFSORNRQHLRZ-WFASDCNBSA-N 0 0 306.435 2.239 10 30 DEEERN CC(=O)c1ccc(N2CCO[C@H](C#N)C2)c(Br)c1 ZINC000093932475 193329799 /nfs/dbraw/zinc/32/97/99/193329799.db2.gz RLQZGIHURXFXJX-LLVKDONJSA-N 0 0 309.163 2.380 10 30 DEEERN CCOC1CCN(C(=O)c2csc(C#CCCO)c2)CC1 ZINC000093974212 193332650 /nfs/dbraw/zinc/33/26/50/193332650.db2.gz HWKWKMATSHJNHA-UHFFFAOYSA-N 0 0 307.415 2.123 10 30 DEEERN C[C@@H](NC(=O)c1csc(C#CCCO)c1)c1ccccn1 ZINC000093973855 193333128 /nfs/dbraw/zinc/33/31/28/193333128.db2.gz FNHDKJWAAUUWLO-GFCCVEGCSA-N 0 0 300.383 2.368 10 30 DEEERN Cc1cc(Cl)c(S(=O)(=O)N(C)[C@H](C)CC#N)cc1N ZINC000094639106 193387791 /nfs/dbraw/zinc/38/77/91/193387791.db2.gz DBJJJNLMULAYLB-SECBINFHSA-N 0 0 301.799 2.153 10 30 DEEERN OCC#Cc1ccc(O[C@@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000094408392 193368133 /nfs/dbraw/zinc/36/81/33/193368133.db2.gz IUUBWCQLSOLDNN-IAGOWNOFSA-N 0 0 304.411 2.464 10 30 DEEERN C#CCN1C(=O)N=C(N)[C@H]1c1ccc(F)c(Br)c1 ZINC000094516810 193376777 /nfs/dbraw/zinc/37/67/77/193376777.db2.gz JMPBXKMZRSAFIN-SNVBAGLBSA-N 0 0 310.126 2.055 10 30 DEEERN Cc1cc(C(=O)N2C[C@H](C)OC(C)(C)C2)sc1C#CCO ZINC000094535056 193377402 /nfs/dbraw/zinc/37/74/02/193377402.db2.gz XVYPXJKYZRHRCS-LBPRGKRZSA-N 0 0 307.415 2.040 10 30 DEEERN C[C@@H](C#N)CN(C)C(=O)c1cccc(C(F)(F)F)c1NN ZINC000094599392 193383206 /nfs/dbraw/zinc/38/32/06/193383206.db2.gz PRYMSCSQGYTSEL-QMMMGPOBSA-N 0 0 300.284 2.223 10 30 DEEERN N#Cc1nccn1CC(=O)Nc1cccc(Br)c1 ZINC000094939662 193407169 /nfs/dbraw/zinc/40/71/69/193407169.db2.gz OJDVTAGCXRFLFL-UHFFFAOYSA-N 0 0 305.135 2.156 10 30 DEEERN COc1ncnc2c1[nH]c(=S)n2-c1ccc(F)c(C#N)c1 ZINC000094739103 193394839 /nfs/dbraw/zinc/39/48/39/193394839.db2.gz LUCQYBSTSIUBIQ-UHFFFAOYSA-N 0 0 301.306 2.124 10 30 DEEERN Cc1cc(F)c(N)cc1S(=O)(=O)Nc1cccc(C#N)c1 ZINC000094779025 193396628 /nfs/dbraw/zinc/39/66/28/193396628.db2.gz HZPIEEDVEINAMN-UHFFFAOYSA-N 0 0 305.334 2.389 10 30 DEEERN CC(C)(C)C(=O)NCC#Cc1ccc(N2CCOC2=O)cc1 ZINC000096349657 193614838 /nfs/dbraw/zinc/61/48/38/193614838.db2.gz SXNQRRGHGMSOOI-UHFFFAOYSA-N 0 0 300.358 2.157 10 30 DEEERN C=CCN(CC=C)c1nnc(-c2nnn(C)c2C)n1CC(C)C ZINC000453506493 245168511 /nfs/dbraw/zinc/16/85/11/245168511.db2.gz FIZLIFXOBVTBNA-UHFFFAOYSA-N 0 0 315.425 2.216 10 30 DEEERN CCOC(=O)CCN(CCC#N)C(=O)c1ccc(F)c(F)c1 ZINC000096560900 193679226 /nfs/dbraw/zinc/67/92/26/193679226.db2.gz VUPLJDOZZCEOPQ-UHFFFAOYSA-N 0 0 310.300 2.274 10 30 DEEERN C=C(Cl)CNC(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000266161269 205147914 /nfs/dbraw/zinc/14/79/14/205147914.db2.gz KOBQPBLKSKALNZ-UHFFFAOYSA-N 0 0 306.793 2.408 10 30 DEEERN C[C@@H](C#N)N1CCN(c2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000097355604 193710462 /nfs/dbraw/zinc/71/04/62/193710462.db2.gz DNPSRROWNDJUAJ-VIFPVBQESA-N 0 0 312.732 2.421 10 30 DEEERN C=C(Cl)CN1C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]1CC ZINC000161298696 197482466 /nfs/dbraw/zinc/48/24/66/197482466.db2.gz QLRARAVYMVLCKQ-KGLIPLIRSA-N 0 0 306.793 2.087 10 30 DEEERN C=C(Cl)CN1C(=O)[C@](C)(c2ccccc2)NC(=O)[C@@H]1CC ZINC000161289188 197482060 /nfs/dbraw/zinc/48/20/60/197482060.db2.gz SBZLUBQVZNAJOD-BBRMVZONSA-N 0 0 306.793 2.391 10 30 DEEERN CC[N+](CC)(CC)S(=O)(=O)[N-]C(=O)OCc1ccccc1 ZINC000019045985 182103570 /nfs/dbraw/zinc/10/35/70/182103570.db2.gz PVECCKAYDJYTNU-UHFFFAOYSA-O 0 0 315.415 2.239 10 30 DEEERN CCSCC[C@@H](C)NC(=O)c1ccc(C#CCCO)cn1 ZINC000160681932 197431512 /nfs/dbraw/zinc/43/15/12/197431512.db2.gz RLONXPIRJZVCID-CYBMUJFWSA-N 0 0 306.431 2.077 10 30 DEEERN Cc1cc(C(=O)N(C)[C@@H]2CCO[C@H]2C)sc1C#CCCO ZINC000160573827 197422458 /nfs/dbraw/zinc/42/24/58/197422458.db2.gz GPGBVERZMZKEPV-QWHCGFSZSA-N 0 0 307.415 2.040 10 30 DEEERN C=CCC[C@@H](NC(=O)c1cc(O)ccc1OC)C(=O)OCC ZINC000456616676 247317013 /nfs/dbraw/zinc/31/70/13/247317013.db2.gz YDNODAPMLNFXQY-CYBMUJFWSA-N 0 0 307.346 2.029 10 30 DEEERN C=CCC[C@H](CO)NC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000456754284 247398883 /nfs/dbraw/zinc/39/88/83/247398883.db2.gz BTBNRRBNIZDBDW-GFCCVEGCSA-N 0 0 311.328 2.371 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)C1CCC1 ZINC000456853412 247456912 /nfs/dbraw/zinc/45/69/12/247456912.db2.gz FMMVNTQSHFDYRN-WBVHZDCISA-N 0 0 316.401 2.239 10 30 DEEERN C=CCC[C@H](CO)NC(=O)NCc1ccn(C2CCCC2)n1 ZINC000458551337 248366707 /nfs/dbraw/zinc/36/67/07/248366707.db2.gz FBIQCDPHYBKHPX-CQSZACIVSA-N 0 0 306.410 2.125 10 30 DEEERN CC#CCCNC(=O)N(C)C1CCN(CC(F)(F)F)CC1 ZINC000458669194 248429142 /nfs/dbraw/zinc/42/91/42/248429142.db2.gz WDDLNJTWJCRWFF-UHFFFAOYSA-N 0 0 305.344 2.068 10 30 DEEERN C=CCCCS(=O)(=O)NC1CCC(c2nc(C)no2)CC1 ZINC000489578127 248844830 /nfs/dbraw/zinc/84/48/30/248844830.db2.gz ANCHFTFEWBPAKW-UHFFFAOYSA-N 0 0 313.423 2.290 10 30 DEEERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(C#N)CCCC1 ZINC000040215406 183046327 /nfs/dbraw/zinc/04/63/27/183046327.db2.gz GQHJNQBFKFLIGZ-UHFFFAOYSA-N 0 0 309.347 2.018 10 30 DEEERN C=CCNC(=O)[C@@H](C)Oc1c(Br)cccc1CO ZINC000042412410 183266010 /nfs/dbraw/zinc/26/60/10/183266010.db2.gz MJAFJXIBUAKLGN-SECBINFHSA-N 0 0 314.179 2.011 10 30 DEEERN CN(Cc1csc(C#CCCO)c1)C(=O)c1ccncc1 ZINC000042364514 183259083 /nfs/dbraw/zinc/25/90/83/183259083.db2.gz TZXZWPGFCVRRAE-UHFFFAOYSA-N 0 0 300.383 2.149 10 30 DEEERN CCCN(CC(=O)OC)C(=O)c1ccccc1SCC#N ZINC000042712974 183301230 /nfs/dbraw/zinc/30/12/30/183301230.db2.gz DTGRVTSMUWQPPO-UHFFFAOYSA-N 0 0 306.387 2.327 10 30 DEEERN CS(=O)(=O)c1cccc(OCc2sccc2C#CCO)c1 ZINC000043682987 183380099 /nfs/dbraw/zinc/38/00/99/183380099.db2.gz JMTWXJAETOSKFY-UHFFFAOYSA-N 0 0 322.407 2.074 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2ccc3nc(Cl)ccc3c2)CCO1 ZINC000106292130 194194951 /nfs/dbraw/zinc/19/49/51/194194951.db2.gz LXSUAJSYQFSPFO-GFCCVEGCSA-N 0 0 301.733 2.253 10 30 DEEERN C[C@@H](NC(=O)N1CCO[C@@H](C#N)C1)c1nc(C(C)(C)C)cs1 ZINC000106575117 194232198 /nfs/dbraw/zinc/23/21/98/194232198.db2.gz UDUYSXAFFHDBKG-MNOVXSKESA-N 0 0 322.434 2.436 10 30 DEEERN CC[C@@H](C#N)N1CCN(Cc2ccc(Br)o2)CC1 ZINC000109454424 194264891 /nfs/dbraw/zinc/26/48/91/194264891.db2.gz BAHSGUBBDMCXMT-NSHDSACASA-N 0 0 312.211 2.462 10 30 DEEERN Cc1sc2ncnc(N3CCN([C@H](C)C#N)CC3)c2c1C ZINC000109462980 194265607 /nfs/dbraw/zinc/26/56/07/194265607.db2.gz JVUWHJCFPGSZPC-SNVBAGLBSA-N 0 0 301.419 2.342 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110883929 194366786 /nfs/dbraw/zinc/36/67/86/194366786.db2.gz HPJYDXFUQCOGCR-SNVBAGLBSA-N 0 0 305.384 2.290 10 30 DEEERN O=S(=O)(Oc1cccnc1Br)OC(F)(F)F ZINC000060290702 184145345 /nfs/dbraw/zinc/14/53/45/184145345.db2.gz IVUMGBSHBHXUDI-UHFFFAOYSA-N 0 0 322.058 2.004 10 30 DEEERN Cc1ccc([C@@H]2C(=O)NCCN2C(=O)c2cccc(C#N)c2)cc1 ZINC000062123521 184207150 /nfs/dbraw/zinc/20/71/50/184207150.db2.gz GIQMFHARYQYIGE-QGZVFWFLSA-N 0 0 319.364 2.180 10 30 DEEERN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C(C)C ZINC000067320704 184459937 /nfs/dbraw/zinc/45/99/37/184459937.db2.gz CFRDLTKTBUFAJU-NSHDSACASA-N 0 0 303.362 2.056 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccco2)cn1 ZINC000116352166 194740214 /nfs/dbraw/zinc/74/02/14/194740214.db2.gz QSDCEBSGNXGPBG-ZDUSSCGKSA-N 0 0 303.343 2.072 10 30 DEEERN C[C@@H](C(=O)N(C)[C@H]1CCCc2ccccc21)n1cnc(C#N)n1 ZINC000539504744 285078789 /nfs/dbraw/zinc/07/87/89/285078789.db2.gz PWJKBXJGJHQWHE-WFASDCNBSA-N 0 0 309.373 2.247 10 30 DEEERN C[C@@H](C(=O)N(C1CC1)[C@@H]1CCc2ccccc21)n1cnc(C#N)n1 ZINC000540958295 285145489 /nfs/dbraw/zinc/14/54/89/285145489.db2.gz OODALIMXPRXOND-BLLLJJGKSA-N 0 0 321.384 2.389 10 30 DEEERN N#C[C@@]1([C@H](O)c2cccc3ccccc32)CCS(=O)(=O)C1 ZINC000157640688 197203770 /nfs/dbraw/zinc/20/37/70/197203770.db2.gz RRPBFBZHXIKRFC-CVEARBPZSA-N 0 0 301.367 2.202 10 30 DEEERN N#Cc1ccc(NC(=O)c2nnc(N)s2)cc1C(F)(F)F ZINC000157442213 197188295 /nfs/dbraw/zinc/18/82/95/197188295.db2.gz YKIMTTZIELDWID-UHFFFAOYSA-N 0 0 313.264 2.263 10 30 DEEERN CCN(CC)C(=O)[C@@H]1CCCN1Cc1cc(C#N)ccc1OC ZINC000156374540 197107624 /nfs/dbraw/zinc/10/76/24/197107624.db2.gz UXHQBOFMQFNLQD-INIZCTEOSA-N 0 0 315.417 2.400 10 30 DEEERN CS(=O)(=O)c1csc(C(=O)Nc2ccc(F)cc2C#N)c1 ZINC000156308826 197103728 /nfs/dbraw/zinc/10/37/28/197103728.db2.gz TWJJFKVOQMFOPY-UHFFFAOYSA-N 0 0 324.358 2.415 10 30 DEEERN CN(Cc1ccc(C#CCO)cc1)C(=O)[C@@H]1CCCCS1 ZINC000156270302 197100348 /nfs/dbraw/zinc/10/03/48/197100348.db2.gz UUNVVZNLQSXNSR-INIZCTEOSA-N 0 0 303.427 2.275 10 30 DEEERN C=CCCCN(C)C(=O)Nc1nnc(CC(=O)OCC)s1 ZINC000155969216 197077514 /nfs/dbraw/zinc/07/75/14/197077514.db2.gz CVBFNQDXVFSMNA-UHFFFAOYSA-N 0 0 312.395 2.074 10 30 DEEERN O=C(NC[C@H]1CCCS1)c1cc(C#CCCO)ccc1F ZINC000155931534 197075496 /nfs/dbraw/zinc/07/54/96/197075496.db2.gz PIECULGTCNMPEZ-CYBMUJFWSA-N 0 0 307.390 2.185 10 30 DEEERN C#CCOCCC(=O)N1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000155521103 197062621 /nfs/dbraw/zinc/06/26/21/197062621.db2.gz ZYPRFWMCGIINSN-AWEZNQCLSA-N 0 0 317.385 2.060 10 30 DEEERN C#CCCCCNC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000154987277 197010792 /nfs/dbraw/zinc/01/07/92/197010792.db2.gz LHXNUPNFDAANQT-UHFFFAOYSA-N 0 0 302.422 2.415 10 30 DEEERN Cc1cnccc1NC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000120729260 195225432 /nfs/dbraw/zinc/22/54/32/195225432.db2.gz QBCNUOGNACFQIY-UHFFFAOYSA-N 0 0 322.372 2.011 10 30 DEEERN C=CCc1cc(C(=O)N[C@H](C)[C@@H](C)CO)cc(OC)c1OC ZINC000151891999 196742820 /nfs/dbraw/zinc/74/28/20/196742820.db2.gz BKSIAPXYUIUNIN-NWDGAFQWSA-N 0 0 307.390 2.179 10 30 DEEERN N#C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000121079042 195291419 /nfs/dbraw/zinc/29/14/19/195291419.db2.gz GXRJTKWCGPHUMH-LLVKDONJSA-N 0 0 324.134 2.389 10 30 DEEERN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000121734857 195336506 /nfs/dbraw/zinc/33/65/06/195336506.db2.gz DTIOXGBNELEHEO-GFCCVEGCSA-N 0 0 309.778 2.072 10 30 DEEERN CC1CC(=O)N(c2ccc(Cl)cc2C#CCCO)C(=O)C1 ZINC000125929313 195795512 /nfs/dbraw/zinc/79/55/12/195795512.db2.gz DFRWRVXJHDEZOW-UHFFFAOYSA-N 0 0 305.761 2.363 10 30 DEEERN CC(=O)c1cc(Br)ccc1N1CCO[C@@H](C#N)C1 ZINC000127826111 195913339 /nfs/dbraw/zinc/91/33/39/195913339.db2.gz HPJXLRMXJVMNOM-NSHDSACASA-N 0 0 309.163 2.380 10 30 DEEERN COC(=O)CC1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000442723274 533332351 /nfs/dbraw/zinc/33/23/51/533332351.db2.gz RVVUKOJZZYYOOY-UHFFFAOYSA-N 0 0 321.421 2.301 10 30 DEEERN CO[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000441435669 533406789 /nfs/dbraw/zinc/40/67/89/533406789.db2.gz MVNAENHNOKANTC-AHIWAGSCSA-N 0 0 324.421 2.274 10 30 DEEERN C[C@H](CC#N)N(C)S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000192626886 533604946 /nfs/dbraw/zinc/60/49/46/533604946.db2.gz HHGKZGPHAZMGGO-LLVKDONJSA-N 0 0 308.403 2.323 10 30 DEEERN CCOc1c(OC)cc(CNc2ccncc2C#N)cc1OC ZINC000562312311 291976053 /nfs/dbraw/zinc/97/60/53/291976053.db2.gz JRZAMVLLVSZDTP-UHFFFAOYSA-N 0 0 313.357 2.403 10 30 DEEERN N#Cc1cnccc1NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000545947460 285461112 /nfs/dbraw/zinc/46/11/12/285461112.db2.gz CYEAQAYNUDPCLW-KRWDZBQOSA-N 0 0 322.368 2.105 10 30 DEEERN COC[C@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000285265796 285466196 /nfs/dbraw/zinc/46/61/96/285466196.db2.gz ZYKYLOAGMLYXDW-GFCCVEGCSA-N 0 0 305.334 2.097 10 30 DEEERN C[C@@H](C(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C)n1cnc(C#N)n1 ZINC000360689343 133195088 /nfs/dbraw/zinc/19/50/88/133195088.db2.gz MOBIJEYOEQUBHE-AGIUHOORSA-N 0 0 303.410 2.384 10 30 DEEERN CC[C@@]1(C2CC2)NC(=O)N(Cc2cc(F)ccc2C#N)C1=O ZINC000548197247 285703160 /nfs/dbraw/zinc/70/31/60/285703160.db2.gz FOJJLCCWHJDLBG-INIZCTEOSA-N 0 0 301.321 2.308 10 30 DEEERN N#Cc1ccc(OCCNC(=O)CSc2ccncc2)cc1 ZINC000173882191 144851209 /nfs/dbraw/zinc/85/12/09/144851209.db2.gz KGSOGWFKXBFMPO-UHFFFAOYSA-N 0 0 313.382 2.241 10 30 DEEERN C[C@]1(c2ccco2)NC(=O)N(Cc2ccc(C#N)c(F)c2)C1=O ZINC000191750120 145063980 /nfs/dbraw/zinc/06/39/80/145063980.db2.gz LPDICRRCPJMXPS-MRXNPFEDSA-N 0 0 313.288 2.258 10 30 DEEERN N#Cc1cc(C(=O)NCc2cnn(-c3ccccc3)c2)ccn1 ZINC000192467625 145073651 /nfs/dbraw/zinc/07/36/51/145073651.db2.gz WQQXGSMASGCJAM-UHFFFAOYSA-N 0 0 303.325 2.069 10 30 DEEERN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccnc(C#N)c2)c1 ZINC000192558205 145075041 /nfs/dbraw/zinc/07/50/41/145075041.db2.gz YAEZVDNDXLMESG-LLVKDONJSA-N 0 0 308.341 2.403 10 30 DEEERN CN(CCCNC(=O)c1ccnc(C#N)c1)c1ccccc1F ZINC000192820860 145079469 /nfs/dbraw/zinc/07/94/69/145079469.db2.gz JKFZDGJVDMXLTQ-UHFFFAOYSA-N 0 0 312.348 2.349 10 30 DEEERN Cn1c(CCCNC(=O)c2ccnc(C#N)c2)nc2ccccc21 ZINC000193282042 145084485 /nfs/dbraw/zinc/08/44/85/145084485.db2.gz FOLVVTWGNOMWSR-UHFFFAOYSA-N 0 0 319.368 2.203 10 30 DEEERN COc1cccc(O[C@@H](C)CNC(=O)c2ccnc(C#N)c2)c1 ZINC000193371611 145085000 /nfs/dbraw/zinc/08/50/00/145085000.db2.gz KEERRKBJVPKHAH-LBPRGKRZSA-N 0 0 311.341 2.159 10 30 DEEERN CO[C@H]1C[C@@H](CO)N(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000314377818 145357768 /nfs/dbraw/zinc/35/77/68/145357768.db2.gz QJVUCVSDPRVCRN-RYUDHWBXSA-N 0 0 300.280 2.163 10 30 DEEERN N#Cc1ccsc1C(=O)N(CCCO)Cc1ccccn1 ZINC000358319366 147112956 /nfs/dbraw/zinc/11/29/56/147112956.db2.gz CBCTYHGZUULHGS-UHFFFAOYSA-N 0 0 301.371 2.040 10 30 DEEERN Cc1c(NC(=O)[C@H](C)n2cnc(C#N)n2)cccc1-c1ncco1 ZINC000359143754 147270169 /nfs/dbraw/zinc/27/01/69/147270169.db2.gz OUFMGWQSNSCTLW-NSHDSACASA-N 0 0 322.328 2.313 10 30 DEEERN N#Cc1cccc(CC(=O)NCC[C@@H]2C(=O)Nc3ccccc32)c1 ZINC000565516593 292166852 /nfs/dbraw/zinc/16/68/52/292166852.db2.gz YLOIXILTRHNEIZ-INIZCTEOSA-N 0 0 319.364 2.343 10 30 DEEERN N#Cc1cccc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000408130187 148566980 /nfs/dbraw/zinc/56/69/80/148566980.db2.gz TYWVDHDRUSJHDL-MRXNPFEDSA-N 0 0 311.385 2.033 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000112215810 401733490 /nfs/dbraw/zinc/73/34/90/401733490.db2.gz ZAXKWFSEEFSYBW-MRXNPFEDSA-N 0 0 309.454 2.095 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NCCc1cscn1 ZINC000110807799 401694352 /nfs/dbraw/zinc/69/43/52/401694352.db2.gz JSYQMSVKBACWTI-NSHDSACASA-N 0 0 301.371 2.141 10 30 DEEERN C=CCNc1ncc(C(=O)NCc2cccnc2N(C)C)s1 ZINC000126469742 401695773 /nfs/dbraw/zinc/69/57/73/401695773.db2.gz NEWHSCABGZSFBP-UHFFFAOYSA-N 0 0 317.418 2.132 10 30 DEEERN C=CC1CCN(C(=O)NCCNC(=O)c2ccccc2)CC1 ZINC000111449035 401715939 /nfs/dbraw/zinc/71/59/39/401715939.db2.gz SZDOQEJNWGZGHR-UHFFFAOYSA-N 0 0 301.390 2.024 10 30 DEEERN C=CCc1ccc(O)c(-c2cc(C[C@H](O)CO)ccc2O)c1 ZINC000014585198 401811839 /nfs/dbraw/zinc/81/18/39/401811839.db2.gz ORPULAPYNPMMAQ-AWEZNQCLSA-N 0 0 300.354 2.389 10 30 biogenic DEEERN C=CCc1cc(C(=O)NCC2(C)COC2)cc(OC)c1OC ZINC000112616332 401751254 /nfs/dbraw/zinc/75/12/54/401751254.db2.gz PAEOWCMAJBTOMX-UHFFFAOYSA-N 0 0 305.374 2.199 10 30 DEEERN N#Cc1cnn(C(=O)Cc2coc(-c3ccc(F)cc3)n2)c1N ZINC000113420360 401778886 /nfs/dbraw/zinc/77/88/86/401778886.db2.gz DMONDCMCBCLMBF-UHFFFAOYSA-N 0 0 311.276 2.014 10 30 DEEERN C[C@@H](CO)[C@H](C)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000077700945 401826718 /nfs/dbraw/zinc/82/67/18/401826718.db2.gz CDWKUYOQADZWPO-IUCAKERBSA-N 0 0 313.304 2.298 10 30 DEEERN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116318693 401848981 /nfs/dbraw/zinc/84/89/81/401848981.db2.gz KVEOBIKPKBRQET-ZFWWWQNUSA-N 0 0 323.400 2.108 10 30 DEEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000117074406 401867768 /nfs/dbraw/zinc/86/77/68/401867768.db2.gz OLKLXBCVYSMBIF-SNVBAGLBSA-N 0 0 314.345 2.064 10 30 DEEERN CN(C)c1ncccc1N(C)C(=O)COc1ccccc1C#N ZINC000079725745 401880249 /nfs/dbraw/zinc/88/02/49/401880249.db2.gz IONBQLCPIYODEE-UHFFFAOYSA-N 0 0 310.357 2.061 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000081738547 401898328 /nfs/dbraw/zinc/89/83/28/401898328.db2.gz KWZZHDRHSQHOBD-MRXNPFEDSA-N 0 0 324.384 2.113 10 30 DEEERN C=CCN(C)CC(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000121257398 402023757 /nfs/dbraw/zinc/02/37/57/402023757.db2.gz LVJAKSSECWJNGC-UHFFFAOYSA-N 0 0 312.417 2.223 10 30 DEEERN N#CC1(NC(=O)CCc2nc(-c3ccoc3)no2)CCCC1 ZINC000121364878 402031464 /nfs/dbraw/zinc/03/14/64/402031464.db2.gz FWLHSSSGTQTIMN-UHFFFAOYSA-N 0 0 300.318 2.215 10 30 DEEERN CC(C)[C@@](C)(C#N)NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000151464059 402037924 /nfs/dbraw/zinc/03/79/24/402037924.db2.gz MVULWRNZBHPRSA-BLLLJJGKSA-N 0 0 309.410 2.298 10 30 DEEERN C[C@@H]1OCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H]1C ZINC000121850370 402054717 /nfs/dbraw/zinc/05/47/17/402054717.db2.gz WCTXJTNLYNLYNI-UWVGGRQHSA-N 0 0 314.794 2.010 10 30 DEEERN O=C(/C=C/c1cnc(N2CCOCC2)s1)c1cncc(F)c1 ZINC000150952027 402006544 /nfs/dbraw/zinc/00/65/44/402006544.db2.gz NAEWTBDXRHYUBM-OWOJBTEDSA-N 0 0 319.361 2.410 10 30 DEEERN C#CCCCCNC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000120958671 402009009 /nfs/dbraw/zinc/00/90/09/402009009.db2.gz RZJSPXZNSDIXGO-AWEZNQCLSA-N 0 0 311.389 2.431 10 30 DEEERN C[C@@H](Nc1cnc(C#N)cn1)c1ccc(N2CCOC2=O)cc1 ZINC000122437719 402078288 /nfs/dbraw/zinc/07/82/88/402078288.db2.gz KMVIYUQGFHZDEN-LLVKDONJSA-N 0 0 309.329 2.478 10 30 DEEERN CC[C@@H](C#N)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1 ZINC000123897655 402153269 /nfs/dbraw/zinc/15/32/69/402153269.db2.gz STLGEDZEXWTJHL-JSGCOSHPSA-N 0 0 300.362 2.101 10 30 DEEERN COc1cc(NC(=O)Cn2ccnc2C#N)c(OC)cc1Cl ZINC000123937603 402155211 /nfs/dbraw/zinc/15/52/11/402155211.db2.gz OVLAGNPUUHSHDC-UHFFFAOYSA-N 0 0 320.736 2.064 10 30 DEEERN N#Cc1ccc(NC(=O)CN2C(=O)CSc3ccccc32)nc1 ZINC000103928652 402195122 /nfs/dbraw/zinc/19/51/22/402195122.db2.gz ROPLDQLXWDTKOJ-UHFFFAOYSA-N 0 0 324.365 2.031 10 30 DEEERN C=CCNC(=O)NC(=O)CN1CCCC[C@@H]1c1ccc(CC)o1 ZINC000124890674 402202292 /nfs/dbraw/zinc/20/22/92/402202292.db2.gz UKPWANHPOMDDQJ-CQSZACIVSA-N 0 0 319.405 2.381 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)NCCc1nc(C)no1 ZINC000102035292 402161866 /nfs/dbraw/zinc/16/18/66/402161866.db2.gz XCZQBXVMQOGZOY-UHFFFAOYSA-N 0 0 306.391 2.380 10 30 DEEERN CC(C)=C(F)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000153696431 402163678 /nfs/dbraw/zinc/16/36/78/402163678.db2.gz QURVPCWYOUQECQ-HNNXBMFYSA-N 0 0 301.365 2.486 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H]1C(=O)OC(C)C ZINC000124299657 402173689 /nfs/dbraw/zinc/17/36/89/402173689.db2.gz FLYOWYKAGFUWCU-HNNXBMFYSA-N 0 0 300.358 2.423 10 30 DEEERN CCc1nc2n(n1)C[C@@H](Nc1snc(Cl)c1C#N)CC2 ZINC000108948454 402264850 /nfs/dbraw/zinc/26/48/50/402264850.db2.gz ARAXNMOAGOKUCB-ZETCQYMHSA-N 0 0 308.798 2.249 10 30 DEEERN N#C[C@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)C1CC1 ZINC000108835888 402262582 /nfs/dbraw/zinc/26/25/82/402262582.db2.gz VHMMBQSXXWPOEM-CVEARBPZSA-N 0 0 300.358 2.276 10 30 DEEERN CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000108839075 402262640 /nfs/dbraw/zinc/26/26/40/402262640.db2.gz IMUHAJNGFRNGNL-DYVFJYSZSA-N 0 0 314.385 2.394 10 30 DEEERN Cc1[nH]c(C(=O)N[C@@H](C#N)C2CC2)c(C)c1C(=O)OC(C)C ZINC000108829772 402262643 /nfs/dbraw/zinc/26/26/43/402262643.db2.gz ITEZPBPJPYOQQM-LBPRGKRZSA-N 0 0 303.362 2.229 10 30 DEEERN Cc1cc(C(=O)N[C@@H](C#N)C2CCCCC2)c2cnn(C)c2n1 ZINC000176587835 402321812 /nfs/dbraw/zinc/32/18/12/402321812.db2.gz SMYCQNULRBVDGD-HNNXBMFYSA-N 0 0 311.389 2.479 10 30 DEEERN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1cnc(C#N)cn1 ZINC000126205101 402269704 /nfs/dbraw/zinc/26/97/04/402269704.db2.gz YUHJKSBXRZUIFM-FIKIJFGZSA-N 0 0 300.387 2.283 10 30 DEEERN C=CCNc1ncc(C(=O)NCCc2c(C)nn(C)c2C)s1 ZINC000126216280 402270325 /nfs/dbraw/zinc/27/03/25/402270325.db2.gz GOCMKELWRPBODT-UHFFFAOYSA-N 0 0 319.434 2.064 10 30 DEEERN N#Cc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)nc1 ZINC000225539710 402320462 /nfs/dbraw/zinc/32/04/62/402320462.db2.gz MXCVTLMNYCXQSC-GOEBONIOSA-N 0 0 311.316 2.040 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000230166905 402348771 /nfs/dbraw/zinc/34/87/71/402348771.db2.gz GOBTYIJAYQTCFG-LBPRGKRZSA-N 0 0 305.378 2.498 10 30 DEEERN CC(C)n1cc(C#N)c(NC(=O)[C@H]2CC(=O)Nc3ccccc32)n1 ZINC000177005145 402358688 /nfs/dbraw/zinc/35/86/88/402358688.db2.gz RNAQKCUQCOPNSU-ZDUSSCGKSA-N 0 0 323.356 2.400 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000185584469 402362855 /nfs/dbraw/zinc/36/28/55/402362855.db2.gz UQAXMXDQAUVDCK-KGLIPLIRSA-N 0 0 320.389 2.145 10 30 DEEERN C=C(C)CNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000161134424 402374751 /nfs/dbraw/zinc/37/47/51/402374751.db2.gz FOLGPUWYYBFOBF-HNNXBMFYSA-N 0 0 318.392 2.299 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000185873163 402384683 /nfs/dbraw/zinc/38/46/83/402384683.db2.gz SARJCDJOIYICQI-TZMCWYRMSA-N 0 0 314.385 2.433 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(OC)c(OCC(N)=O)c1 ZINC000185157259 402329287 /nfs/dbraw/zinc/32/92/87/402329287.db2.gz JGOFWGPTEFPVFN-LLVKDONJSA-N 0 0 306.362 2.100 10 30 DEEERN C[C@H]1CCC[C@@H](CCNS(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000227119067 402330595 /nfs/dbraw/zinc/33/05/95/402330595.db2.gz QMQIRNZJHMYSJB-STQMWFEESA-N 0 0 307.419 2.448 10 30 DEEERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cc(C#N)cs1)CC2 ZINC000177492923 402408703 /nfs/dbraw/zinc/40/87/03/402408703.db2.gz FMHKDTGALXRBLJ-NSHDSACASA-N 0 0 315.402 2.079 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NC1(C#N)CCSCC1 ZINC000162296913 402415384 /nfs/dbraw/zinc/41/53/84/402415384.db2.gz IRUQWQMPANUKIO-LBPRGKRZSA-N 0 0 315.398 2.231 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN2C[C@@H](C(N)=O)CC[C@@H]2C)c1C ZINC000177596721 402418881 /nfs/dbraw/zinc/41/88/81/402418881.db2.gz NJPAODFPVJNLGH-WFASDCNBSA-N 0 0 317.433 2.059 10 30 DEEERN COC(=O)CN(CC#N)Cc1ccc(Br)c(F)c1 ZINC000177621529 402420833 /nfs/dbraw/zinc/42/08/33/402420833.db2.gz WPTAFBDYZHZHFG-UHFFFAOYSA-N 0 0 315.142 2.087 10 30 DEEERN N#Cc1ccsc1C(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000162937150 402437148 /nfs/dbraw/zinc/43/71/48/402437148.db2.gz GYPOYHOXZHOPON-UHFFFAOYSA-N 0 0 323.381 2.377 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000186525681 402438856 /nfs/dbraw/zinc/43/88/56/402438856.db2.gz FJSSHLVWCVGOGF-LLVKDONJSA-N 0 0 304.325 2.070 10 30 DEEERN CC[C@]1(C(C)C)NC(=O)N(Cc2ccc(OC)c(C#N)c2)C1=O ZINC000163031801 402439877 /nfs/dbraw/zinc/43/98/77/402439877.db2.gz PRCIRQALIOYJMR-QGZVFWFLSA-N 0 0 315.373 2.423 10 30 DEEERN N#Cc1ccc(S(=O)(=O)CCSC2CCOCC2)cc1 ZINC000163182606 402443813 /nfs/dbraw/zinc/44/38/13/402443813.db2.gz CQUDCYXYAUPOLV-UHFFFAOYSA-N 0 0 311.428 2.244 10 30 DEEERN C[C@H]1CC[C@@H](C(=O)N2CCCN(c3ccccc3C#N)CC2)O1 ZINC000178067900 402457282 /nfs/dbraw/zinc/45/72/82/402457282.db2.gz ZQKNSERFHUOZEU-YOEHRIQHSA-N 0 0 313.401 2.164 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1COc2ccccc21 ZINC000178458496 402501262 /nfs/dbraw/zinc/50/12/62/402501262.db2.gz VRVDHWXSFJWQOD-OAHLLOKOSA-N 0 0 321.336 2.055 10 30 DEEERN CO[C@@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)CC[C@@H]1C ZINC000187484427 402502756 /nfs/dbraw/zinc/50/27/56/402502756.db2.gz ZKPDQBMOUHIRQA-XJKSGUPXSA-N 0 0 317.389 2.155 10 30 DEEERN N#CCCCCNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000178814128 402542969 /nfs/dbraw/zinc/54/29/69/402542969.db2.gz XHNILUREEQHCKM-SECBINFHSA-N 0 0 314.311 2.343 10 30 DEEERN COC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(C#N)cn1 ZINC000170970231 402546254 /nfs/dbraw/zinc/54/62/54/402546254.db2.gz VMQLSGLQBKDLDG-UHFFFAOYSA-N 0 0 323.352 2.159 10 30 DEEERN N#CCCCCNC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000179028748 402566420 /nfs/dbraw/zinc/56/64/20/402566420.db2.gz GEFYJHSAESNONA-SWLSCSKDSA-N 0 0 323.343 2.476 10 30 DEEERN Cc1cccc(S(=O)(=O)NC[C@H]2CCC(C)(C)O2)c1C#N ZINC000188739592 402524808 /nfs/dbraw/zinc/52/48/08/402524808.db2.gz KKTMHKKAKMYTOI-GFCCVEGCSA-N 0 0 308.403 2.103 10 30 DEEERN Cc1cccc(OCCN2CCN(c3ncccc3C#N)CC2)c1 ZINC000248012818 402580081 /nfs/dbraw/zinc/58/00/81/402580081.db2.gz JLGTZEIYWGJOPB-UHFFFAOYSA-N 0 0 322.412 2.463 10 30 DEEERN C[C@H]1OCCC[C@H]1C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000190905387 402630660 /nfs/dbraw/zinc/63/06/60/402630660.db2.gz AKEHFCPPCQMGMT-GDBMZVCRSA-N 0 0 313.401 2.022 10 30 DEEERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H](C)CO1 ZINC000249710685 402638903 /nfs/dbraw/zinc/63/89/03/402638903.db2.gz VIQYYHWTFAEEQW-VHSXEESVSA-N 0 0 314.794 2.010 10 30 DEEERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000181648101 402653313 /nfs/dbraw/zinc/65/33/13/402653313.db2.gz ISFIMXDWWDJYKS-VXGBXAGGSA-N 0 0 303.362 2.077 10 30 DEEERN C[C@H](Cc1ccccc1)CN(CCC#N)CCN1CCOCC1 ZINC000182025875 402664932 /nfs/dbraw/zinc/66/49/32/402664932.db2.gz SACSQLWJWGGCEH-GOSISDBHSA-N 0 0 315.461 2.413 10 30 DEEERN N#Cc1nn(-c2ccccc2)nc1N(CCO)Cc1ccccc1 ZINC000256048006 402699492 /nfs/dbraw/zinc/69/94/92/402699492.db2.gz QBGWATJIGKCIHU-UHFFFAOYSA-N 0 0 319.368 2.138 10 30 DEEERN CSCc1cc(C(=O)NC2(C#N)CCOCC2)ccc1F ZINC000174241814 402733273 /nfs/dbraw/zinc/73/32/73/402733273.db2.gz FJINJLIBTWJFKZ-UHFFFAOYSA-N 0 0 308.378 2.491 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000183108085 402739541 /nfs/dbraw/zinc/73/95/41/402739541.db2.gz ZNALAECBEXOAFV-OAHLLOKOSA-N 0 0 303.406 2.023 10 30 DEEERN C=CCCOCCNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000183214023 402747249 /nfs/dbraw/zinc/74/72/49/402747249.db2.gz KGDKVVTWNWDPHO-UHFFFAOYSA-N 0 0 305.300 2.158 10 30 DEEERN COc1cccc2c1nc(NC(=O)c1ccc(C#N)c(C)n1)n2C ZINC000184452968 402844609 /nfs/dbraw/zinc/84/46/09/402844609.db2.gz JTFPTSYWEWZIJV-UHFFFAOYSA-N 0 0 321.340 2.409 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000183858822 402802383 /nfs/dbraw/zinc/80/23/83/402802383.db2.gz GERNIJJNSOUNTJ-FZMZJTMJSA-N 0 0 308.353 2.276 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000184225488 402828204 /nfs/dbraw/zinc/82/82/04/402828204.db2.gz ZATXGXUBPDFXKZ-LBPRGKRZSA-N 0 0 315.373 2.279 10 30 DEEERN CCC(=O)N1CSC[C@H]1C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000175758527 402829888 /nfs/dbraw/zinc/82/98/88/402829888.db2.gz BFDMCZZGDWKNKT-RISCZKNCSA-N 0 0 318.398 2.474 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1ccc(S(=O)(=O)NCC)cc1 ZINC000184272602 402832095 /nfs/dbraw/zinc/83/20/95/402832095.db2.gz QSZRDEFGPWBTMB-ZDUSSCGKSA-N 0 0 324.446 2.203 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)C[C@@H]2CCCCO2)cn1 ZINC000183647940 402785212 /nfs/dbraw/zinc/78/52/12/402785212.db2.gz SBHRTQZTTMDIBV-AWEZNQCLSA-N 0 0 311.345 2.037 10 30 DEEERN C=CCCO[C@H](C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183650252 402785281 /nfs/dbraw/zinc/78/52/81/402785281.db2.gz NBHAKHZBMPOLEY-GFCCVEGCSA-N 0 0 311.345 2.059 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000183666730 402786854 /nfs/dbraw/zinc/78/68/54/402786854.db2.gz ISHDSCOIGRZVNR-KBPBESRZSA-N 0 0 323.824 2.155 10 30 DEEERN C=CC[C@@H](CO)Nc1nc(C)nc2sc(C(=O)OC)c(C)c21 ZINC000273378495 402999304 /nfs/dbraw/zinc/99/93/04/402999304.db2.gz YLMZHYDWCHQNPK-JTQLQIEISA-N 0 0 321.402 2.444 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccccc1S[C@H](C)C(=O)OC ZINC000273464279 403006795 /nfs/dbraw/zinc/00/67/95/403006795.db2.gz DLFVVCSCRZVHCQ-NEPJUHHUSA-N 0 0 323.414 2.007 10 30 DEEERN N#Cc1ccc(C(F)(F)F)nc1NC[C@]1(O)CCSC1 ZINC000267043701 403010465 /nfs/dbraw/zinc/01/04/65/403010465.db2.gz MPAWUHNLUBSGFQ-LLVKDONJSA-N 0 0 303.309 2.252 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000273586264 403017390 /nfs/dbraw/zinc/01/73/90/403017390.db2.gz NXZHFTZGDVGQOX-AWEZNQCLSA-N 0 0 311.385 2.417 10 30 DEEERN C=C(Cl)CNC(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000268143763 403054129 /nfs/dbraw/zinc/05/41/29/403054129.db2.gz NTXKTZVYZGLSSL-GFCCVEGCSA-N 0 0 309.797 2.326 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC000281291084 403062788 /nfs/dbraw/zinc/06/27/88/403062788.db2.gz CMRDSPXHAJBWIS-JTQLQIEISA-N 0 0 309.322 2.052 10 30 DEEERN C=CCN1CC[C@H](NC2(c3noc(C4CC4)n3)CCCC2)C1=O ZINC000281391930 403067512 /nfs/dbraw/zinc/06/75/12/403067512.db2.gz ZOTGIXOUSIZZHT-ZDUSSCGKSA-N 0 0 316.405 2.093 10 30 DEEERN C#CCCCCNC(=O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000268284828 403070291 /nfs/dbraw/zinc/07/02/91/403070291.db2.gz KZEUXJAZAQLNBH-HNNXBMFYSA-N 0 0 316.426 2.121 10 30 DEEERN COCc1nc2n(n1)CCC[C@@H]2Nc1ccc(Cl)c(C#N)n1 ZINC000268413764 403081230 /nfs/dbraw/zinc/08/12/30/403081230.db2.gz UJMYDPGQUURFAB-JTQLQIEISA-N 0 0 318.768 2.292 10 30 DEEERN C=CCN1CC[C@@H](N(C)c2cc(C)nc(-c3cccnc3)n2)C1=O ZINC000281847208 403097693 /nfs/dbraw/zinc/09/76/93/403097693.db2.gz LZISBBGGKUGSID-OAHLLOKOSA-N 0 0 323.400 2.070 10 30 DEEERN C=CCn1c(C2CCC2)nnc1N1CCC(C(=O)N(C)C)CC1 ZINC000282256703 403137355 /nfs/dbraw/zinc/13/73/55/403137355.db2.gz LHASYBHRPSEKFM-UHFFFAOYSA-N 0 0 317.437 2.036 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282478191 403155431 /nfs/dbraw/zinc/15/54/31/403155431.db2.gz XJNUTAADKVPWEE-AWEZNQCLSA-N 0 0 323.462 2.305 10 30 DEEERN C#CC[C@@H](NC(=O)NCCCCC(=O)OC)c1ccccc1 ZINC000270378013 403185697 /nfs/dbraw/zinc/18/56/97/403185697.db2.gz FLUKJBVXNFAZPD-OAHLLOKOSA-N 0 0 302.374 2.394 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(C)noc1C ZINC000285426008 403293535 /nfs/dbraw/zinc/29/35/35/403293535.db2.gz WDVYFWRBRBQTKA-HNNXBMFYSA-N 0 0 318.398 2.204 10 30 DEEERN C#CCC(CC#C)C(=O)N(CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000277669874 403243259 /nfs/dbraw/zinc/24/32/59/403243259.db2.gz MKFVMZYSHNHDCM-GOSISDBHSA-N 0 0 322.408 2.303 10 30 DEEERN C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000285001666 403276760 /nfs/dbraw/zinc/27/67/60/403276760.db2.gz YHCLNVIZYPSXMI-KURKYZTESA-N 0 0 318.392 2.449 10 30 DEEERN C=CCOc1ccccc1C(=O)NC1CCC(C(N)=O)CC1 ZINC000343094701 403460941 /nfs/dbraw/zinc/46/09/41/403460941.db2.gz PUPNSKVALHHTFT-UHFFFAOYSA-N 0 0 302.374 2.025 10 30 DEEERN C=CCC(F)(F)C(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000293465097 403479947 /nfs/dbraw/zinc/47/99/47/403479947.db2.gz KEXHNICERHGOGY-UHFFFAOYSA-N 0 0 306.316 2.342 10 30 DEEERN C=CCSCCNC(=O)C(=O)N(CC)[C@@H](C)c1cccnc1 ZINC000286443909 403528305 /nfs/dbraw/zinc/52/83/05/403528305.db2.gz IITCLFQUJWQFSA-ZDUSSCGKSA-N 0 0 321.446 2.027 10 30 DEEERN C#CCSCCNC(=O)N[C@@H](CC#C)Cc1ccccc1 ZINC000287412137 403593159 /nfs/dbraw/zinc/59/31/59/403593159.db2.gz LLRZPROHFKPOEB-INIZCTEOSA-N 0 0 300.427 2.287 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)[C@@H](CO)SC ZINC000287286173 403567911 /nfs/dbraw/zinc/56/79/11/403567911.db2.gz CEPZKFRTTUBDME-FVQBIDKESA-N 0 0 320.458 2.033 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@H]1CCCO1 ZINC000287327907 403575990 /nfs/dbraw/zinc/57/59/90/403575990.db2.gz KJAQXTSGOBBYQN-DLBZAZTESA-N 0 0 300.402 2.441 10 30 DEEERN N#Cc1cccc(N2CCCN(C(=O)c3cccs3)CC2)n1 ZINC000301296552 403612513 /nfs/dbraw/zinc/61/25/13/403612513.db2.gz XTVQRGQSIIBZFY-UHFFFAOYSA-N 0 0 312.398 2.367 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000287654597 403642880 /nfs/dbraw/zinc/64/28/80/403642880.db2.gz JQGNXAQRDYPNNF-ASSNKEHSSA-N 0 0 301.411 2.264 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000287803069 403670264 /nfs/dbraw/zinc/67/02/64/403670264.db2.gz IQZFQUIALUEVGO-KRWDZBQOSA-N 0 0 323.396 2.072 10 30 DEEERN C#CCO[C@@H](C)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000294264755 403687656 /nfs/dbraw/zinc/68/76/56/403687656.db2.gz GTFLVVUCDSATMK-NSHDSACASA-N 0 0 300.333 2.230 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000287966272 403701036 /nfs/dbraw/zinc/70/10/36/403701036.db2.gz HYCIXWIBXWHOPR-ZIAGYGMSSA-N 0 0 322.405 2.391 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NCc3occc3C)cc2C1=O ZINC000343581590 403649453 /nfs/dbraw/zinc/64/94/53/403649453.db2.gz JLKDLWMXDXYQKJ-UHFFFAOYSA-N 0 0 324.336 2.300 10 30 DEEERN C=CCN(Cc1ccccc1OC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000295057348 403745609 /nfs/dbraw/zinc/74/56/09/403745609.db2.gz YVHORLVZJQYLAA-OAHLLOKOSA-N 0 0 321.442 2.403 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)N1CCO[C@H](C2CCC2)C1 ZINC000333413307 403746841 /nfs/dbraw/zinc/74/68/41/403746841.db2.gz RNJALEGEKJSKHV-HNNXBMFYSA-N 0 0 320.414 2.056 10 30 DEEERN C#CCCCC(=O)Nc1cccc(N2C(=O)N[C@@H](C)C2=O)c1C ZINC000288434186 403754891 /nfs/dbraw/zinc/75/48/91/403754891.db2.gz LDVINKBUSDESDW-LBPRGKRZSA-N 0 0 313.357 2.182 10 30 DEEERN C=CCOc1ccc(CNC(=O)N[C@@H]2CCOC[C@H]2C)cc1 ZINC000288521268 403756702 /nfs/dbraw/zinc/75/67/02/403756702.db2.gz CJEFGJZGDOTSJJ-CZUORRHYSA-N 0 0 304.390 2.476 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1cccc(Br)c1O ZINC000288582373 403758812 /nfs/dbraw/zinc/75/88/12/403758812.db2.gz XEZYLKMDTNNGLE-UHFFFAOYSA-N 0 0 320.186 2.434 10 30 DEEERN C=CCC[C@@H](O)CN1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000305055598 403812938 /nfs/dbraw/zinc/81/29/38/403812938.db2.gz FAILKYPBFSGHOH-CQSZACIVSA-N 0 0 324.371 2.050 10 30 DEEERN Cc1c(I)c(C(F)(F)F)nn1CC#N ZINC000409443085 403825908 /nfs/dbraw/zinc/82/59/08/403825908.db2.gz GUHQFTMNALRRFD-UHFFFAOYSA-N 0 0 315.036 2.339 10 30 DEEERN C=C(C)COCCNC(=O)NC1CCC(c2nc(C)no2)CC1 ZINC000354485832 403833565 /nfs/dbraw/zinc/83/35/65/403833565.db2.gz YLLOCCFJPPIMKL-UHFFFAOYSA-N 0 0 322.409 2.296 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cn(C)nc1C1CC1 ZINC000361772281 403854830 /nfs/dbraw/zinc/85/48/30/403854830.db2.gz NTXVTEFBQGKJQZ-LLVKDONJSA-N 0 0 304.394 2.097 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000347778399 403861717 /nfs/dbraw/zinc/86/17/17/403861717.db2.gz CSMZXXDMQWLCHW-HRCADAONSA-N 0 0 308.466 2.304 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000347778400 403862698 /nfs/dbraw/zinc/86/26/98/403862698.db2.gz CSMZXXDMQWLCHW-JYJNAYRXSA-N 0 0 308.466 2.304 10 30 DEEERN C=C[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000362585514 403967730 /nfs/dbraw/zinc/96/77/30/403967730.db2.gz CVPSLLHVTYNFEV-NEPJUHHUSA-N 0 0 304.415 2.452 10 30 DEEERN COC(=O)c1cc(I)cc(C#N)c1C ZINC000307554781 403953413 /nfs/dbraw/zinc/95/34/13/403953413.db2.gz HLLGGLJIEOTXOY-UHFFFAOYSA-N 0 0 301.083 2.258 10 30 DEEERN C#CCCNC(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000362429887 403953452 /nfs/dbraw/zinc/95/34/52/403953452.db2.gz AYAXTWMTGBIPJV-AWEZNQCLSA-N 0 0 324.327 2.394 10 30 DEEERN CC(C)(C)OCCNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000308567990 403957276 /nfs/dbraw/zinc/95/72/76/403957276.db2.gz SNJRXXYHHXFSGC-UHFFFAOYSA-N 0 0 316.810 2.305 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](COC)c1cccc(Cl)c1 ZINC000289501168 403981823 /nfs/dbraw/zinc/98/18/23/403981823.db2.gz ZIHCHKIFKSGBLC-KBPBESRZSA-N 0 0 312.797 2.264 10 30 DEEERN C[C@H](C#N)CN(C)C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000362816958 403990542 /nfs/dbraw/zinc/99/05/42/403990542.db2.gz GZMYOPQTQBKPTG-CHWSQXEVSA-N 0 0 303.362 2.018 10 30 DEEERN C=CCn1c(-c2ccccc2OC)nnc1N1CCOC[C@@H]1C ZINC000289889977 404006352 /nfs/dbraw/zinc/00/63/52/404006352.db2.gz ALHAFWMBLVRSNX-ZDUSSCGKSA-N 0 0 314.389 2.365 10 30 DEEERN C=CCOCC(=O)N[C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000362598589 403973321 /nfs/dbraw/zinc/97/33/21/403973321.db2.gz FZQQXKDRGLSHAE-SNVBAGLBSA-N 0 0 312.391 2.008 10 30 DEEERN N#Cc1cc(N2CCC[C@H]3C(=O)NC[C@H]32)ccc1C(F)(F)F ZINC000318326927 404042928 /nfs/dbraw/zinc/04/29/28/404042928.db2.gz TYSNYIMHJPECER-DGCLKSJQSA-N 0 0 309.291 2.292 10 30 DEEERN N#Cc1ccnc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c1 ZINC000348254895 404054754 /nfs/dbraw/zinc/05/47/54/404054754.db2.gz GFXWSIUTJJNUEU-GOEBONIOSA-N 0 0 311.316 2.040 10 30 DEEERN C=CCn1c(CC2CC2)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC000290139057 404057638 /nfs/dbraw/zinc/05/76/38/404057638.db2.gz HGRUJCGHHWOVEF-OAHLLOKOSA-N 0 0 312.421 2.492 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@H]2CCc3cc(Cl)ccc32)C1=O ZINC000348464324 404069844 /nfs/dbraw/zinc/06/98/44/404069844.db2.gz OWRVTLQUBOWVPA-KBPBESRZSA-N 0 0 320.776 2.450 10 30 DEEERN C=CCOC[C@H]1NC(=O)N([C@H]2CCc3cc(Cl)ccc32)C1=O ZINC000348465213 404072244 /nfs/dbraw/zinc/07/22/44/404072244.db2.gz OWRVTLQUBOWVPA-KGLIPLIRSA-N 0 0 320.776 2.450 10 30 DEEERN C=CCOC[C@H]1NC(=O)N([C@@H]2CCc3cc(Cl)ccc32)C1=O ZINC000348465215 404072481 /nfs/dbraw/zinc/07/24/81/404072481.db2.gz OWRVTLQUBOWVPA-ZIAGYGMSSA-N 0 0 320.776 2.450 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)[C@@H]3CCCS3)C2)n1 ZINC000328608943 404113659 /nfs/dbraw/zinc/11/36/59/404113659.db2.gz BTAPGTIWMAVDIR-RYUDHWBXSA-N 0 0 308.407 2.160 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(Cc3noc(C4CC4)n3)C2)n1 ZINC000328622856 404116597 /nfs/dbraw/zinc/11/65/97/404116597.db2.gz ISIPHDOZNBEBNR-LBPRGKRZSA-N 0 0 316.365 2.198 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)NC[C@@H]1CCCS1)CCC2 ZINC000328641072 404123010 /nfs/dbraw/zinc/12/30/10/404123010.db2.gz CZRGNBQHHCVHAX-STQMWFEESA-N 0 0 308.451 2.468 10 30 DEEERN C=CCn1c(C2CCC2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC000290343587 404132898 /nfs/dbraw/zinc/13/28/98/404132898.db2.gz JVOJSAAZESJOTQ-AWEZNQCLSA-N 0 0 313.409 2.165 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H]1CCCCNC1=O)CCC2 ZINC000328663440 404126726 /nfs/dbraw/zinc/12/67/26/404126726.db2.gz XXZGDCFDMKJHJT-QWHCGFSZSA-N 0 0 319.409 2.082 10 30 DEEERN C=CCN1C(=O)N(c2nncs2)C(=O)[C@@H]1Cc1ccccc1 ZINC000349257810 404140399 /nfs/dbraw/zinc/14/03/99/404140399.db2.gz WJORLQQTCNWLAN-LBPRGKRZSA-N 0 0 314.370 2.104 10 30 DEEERN C[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)C[C@@H]1n1ccnc1 ZINC000328836488 404159280 /nfs/dbraw/zinc/15/92/80/404159280.db2.gz MVPUDQGQZMFIEM-DMRZNYOFSA-N 0 0 318.421 2.248 10 30 DEEERN C=CCSCCNC(=O)C1CCN(C(=O)c2ccoc2)CC1 ZINC000363438023 404160867 /nfs/dbraw/zinc/16/08/67/404160867.db2.gz BCEIAKCJSPXTLA-UHFFFAOYSA-N 0 0 322.430 2.167 10 30 DEEERN C[C@@H]1CSCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)C1 ZINC000328880008 404167160 /nfs/dbraw/zinc/16/71/60/404167160.db2.gz LQDCZFPICVJKHU-SUHUHFCYSA-N 0 0 311.451 2.483 10 30 DEEERN C=CCOc1ccccc1CNS(=O)(=O)CC1(C#N)CCC1 ZINC000349637919 404170335 /nfs/dbraw/zinc/17/03/35/404170335.db2.gz PFHPVDJHJJEIBQ-UHFFFAOYSA-N 0 0 320.414 2.365 10 30 DEEERN C[C@@H]1C(=O)CC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000329108934 404231881 /nfs/dbraw/zinc/23/18/81/404231881.db2.gz ISKAKZHILRJKSS-CIQGVGRVSA-N 0 0 315.435 2.304 10 30 DEEERN Cc1nc(C)c(CNC(=O)[C@@H]2COCCN2CC(F)(F)F)o1 ZINC000329186311 404259480 /nfs/dbraw/zinc/25/94/80/404259480.db2.gz PURHQZLFRBLFHV-JTQLQIEISA-N 0 0 321.299 2.011 10 30 DEEERN C=C(Cl)CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000364033768 404292715 /nfs/dbraw/zinc/29/27/15/404292715.db2.gz LTCLHWDMOWVNKI-UHFFFAOYSA-N 0 0 302.725 2.013 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000352315897 404284810 /nfs/dbraw/zinc/28/48/10/404284810.db2.gz QDKTUHAGYSCCNC-CRAIPNDOSA-N 0 0 322.449 2.267 10 30 DEEERN C=CCN(CC=C)C(=O)CN(C)CCc1ccccc1OC ZINC000355354505 404326482 /nfs/dbraw/zinc/32/64/82/404326482.db2.gz LEUCFYSRHVQHNA-UHFFFAOYSA-N 0 0 302.418 2.370 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@@H]2COC3(CCCC3)O2)cc1 ZINC000296863842 404346976 /nfs/dbraw/zinc/34/69/76/404346976.db2.gz ZIWPCSLAJSDOEO-MRXNPFEDSA-N 0 0 314.385 2.153 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccn(C)c1=O ZINC000355702131 404361906 /nfs/dbraw/zinc/36/19/06/404361906.db2.gz PYHSPGLKFCQYKP-UHFFFAOYSA-N 0 0 307.353 2.085 10 30 DEEERN CCC1CCC(N(C)C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000329482758 404350449 /nfs/dbraw/zinc/35/04/49/404350449.db2.gz DXBSRYKSRWVGPT-PFSRBDOWSA-N 0 0 321.425 2.033 10 30 DEEERN C#CCSCCNC(=O)NC1CCC(c2nc(C)no2)CC1 ZINC000364132282 404323042 /nfs/dbraw/zinc/32/30/42/404323042.db2.gz NHOLCDZIENYWMQ-UHFFFAOYSA-N 0 0 322.434 2.070 10 30 DEEERN O=C(NCC1(C(F)(F)F)CC1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000329398320 404324815 /nfs/dbraw/zinc/32/48/15/404324815.db2.gz YDJWKRYMHJBNQK-LLVKDONJSA-N 0 0 305.300 2.295 10 30 DEEERN C=CCN(Cc1cc(OC)ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000350630140 404427058 /nfs/dbraw/zinc/42/70/58/404427058.db2.gz WTAVQZLGGVUFNS-ZDUSSCGKSA-N 0 0 313.394 2.009 10 30 DEEERN C=CCOc1ccc(C(=O)NCc2ncccc2O)cc1OC ZINC000352515023 404428757 /nfs/dbraw/zinc/42/87/57/404428757.db2.gz DWCWNTUUESFFKF-UHFFFAOYSA-N 0 0 314.341 2.291 10 30 DEEERN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329544840 404371934 /nfs/dbraw/zinc/37/19/34/404371934.db2.gz YYTUZBFKJLKLDG-DGADGQDISA-N 0 0 311.422 2.446 10 30 DEEERN CC[C@H](C#N)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000344813924 404383453 /nfs/dbraw/zinc/38/34/53/404383453.db2.gz YRCJXPMKWHNLFV-YJNKXOJESA-N 0 0 313.405 2.032 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)[C@@H]1OC ZINC000329615303 404394469 /nfs/dbraw/zinc/39/44/69/404394469.db2.gz FIKQISBRDIFCRD-XGUBFFRZSA-N 0 0 308.422 2.357 10 30 DEEERN O=C(NC1CCN(c2ccccn2)CC1)[C@@H]1C[C@@]12CCOC2 ZINC000329634680 404402171 /nfs/dbraw/zinc/40/21/71/404402171.db2.gz XGKWDEAWPVTZIK-WMLDXEAASA-N 0 0 301.390 2.434 10 30 DEEERN C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H]2Cn2ccnc2)CCO1 ZINC000329762343 404443783 /nfs/dbraw/zinc/44/37/83/404443783.db2.gz SNLAJJISDDSSMA-OAGGEKHMSA-N 0 0 320.437 2.467 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCc1ncccc1C ZINC000297097053 404449617 /nfs/dbraw/zinc/44/96/17/404449617.db2.gz XTTBRKCSRHFVJS-HOCLYGCPSA-N 0 0 303.406 2.213 10 30 DEEERN C=CCN(C)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000342235743 404458907 /nfs/dbraw/zinc/45/89/07/404458907.db2.gz NMVGJRVMVPCWST-ZFWWWQNUSA-N 0 0 301.390 2.003 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000297663454 404583490 /nfs/dbraw/zinc/58/34/90/404583490.db2.gz OOOIJHCJYAYMFY-INIZCTEOSA-N 0 0 308.385 2.480 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000330207898 404586316 /nfs/dbraw/zinc/58/63/16/404586316.db2.gz ARZLRINYWSULRX-IXDOHACOSA-N 0 0 317.385 2.273 10 30 DEEERN C=CCCCNC(=O)c1nc2ccc(Br)cn2n1 ZINC000414396505 404612643 /nfs/dbraw/zinc/61/26/43/404612643.db2.gz GCQKOWFTQLNARJ-UHFFFAOYSA-N 0 0 309.167 2.188 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@@]2(O)CCc3ccccc32)cc1 ZINC000297762457 404614869 /nfs/dbraw/zinc/61/48/69/404614869.db2.gz VTBHVACXIYYRDR-FQEVSTJZSA-N 0 0 320.392 2.301 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000297781020 404621036 /nfs/dbraw/zinc/62/10/36/404621036.db2.gz HVIRJPRMCTTXAG-CQSZACIVSA-N 0 0 322.430 2.073 10 30 DEEERN C=CC[C@H](CO)CNC(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000345224379 404621910 /nfs/dbraw/zinc/62/19/10/404621910.db2.gz COLKLDMICHYVCI-HNNXBMFYSA-N 0 0 306.406 2.035 10 30 DEEERN C=CC[C@H](C)NC(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000342511174 404624277 /nfs/dbraw/zinc/62/42/77/404624277.db2.gz OOWNEDITURUCNI-ZFWWWQNUSA-N 0 0 301.390 2.446 10 30 DEEERN C=CCCN(C)C(=O)C(=O)Nc1csc(-c2ccccn2)n1 ZINC000342594993 404668683 /nfs/dbraw/zinc/66/86/83/404668683.db2.gz GRLYMWRXNJWCNY-UHFFFAOYSA-N 0 0 316.386 2.178 10 30 DEEERN CSC1(CNC(=O)N2CCC(C)(C#N)CC2)CCOCC1 ZINC000357124438 404728977 /nfs/dbraw/zinc/72/89/77/404728977.db2.gz DPLJBQBYEJXLHY-UHFFFAOYSA-N 0 0 311.451 2.234 10 30 DEEERN CC(=O)c1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1C ZINC000366056733 404749259 /nfs/dbraw/zinc/74/92/59/404749259.db2.gz RTACMZCMLQORHA-INIZCTEOSA-N 0 0 311.385 2.010 10 30 DEEERN C=C(CNC(=O)NC[C@@H](CO)c1cccnc1)c1ccccc1 ZINC000358591267 404767831 /nfs/dbraw/zinc/76/78/31/404767831.db2.gz OOZIMYCZVLBGCT-KRWDZBQOSA-N 0 0 311.385 2.170 10 30 DEEERN CC1(C#N)CCN(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000374861582 404713292 /nfs/dbraw/zinc/71/32/92/404713292.db2.gz ZZMFGGVHNUVBMR-MGPQQGTHSA-N 0 0 303.406 2.279 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1oc2ccccc2c1OC ZINC000353005590 404718185 /nfs/dbraw/zinc/71/81/85/404718185.db2.gz MONVXUNJNVFQKJ-LLVKDONJSA-N 0 0 304.346 2.178 10 30 DEEERN C=CCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000359394009 404791864 /nfs/dbraw/zinc/79/18/64/404791864.db2.gz RWKXETJVRNERDD-LSDHHAIUSA-N 0 0 312.369 2.490 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)NC1CCC(C(N)=O)CC1 ZINC000353325404 404803051 /nfs/dbraw/zinc/80/30/51/404803051.db2.gz AAHXPWKYSBCMMR-UHFFFAOYSA-N 0 0 319.405 2.064 10 30 DEEERN C=CCOCCCC(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000360556471 404830259 /nfs/dbraw/zinc/83/02/59/404830259.db2.gz KBRPXYASQQDKBI-KRWDZBQOSA-N 0 0 319.401 2.276 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000366690201 404832711 /nfs/dbraw/zinc/83/27/11/404832711.db2.gz ZIQMVXYGUBLMIZ-ZDUSSCGKSA-N 0 0 309.387 2.458 10 30 DEEERN C=CCN(CCOC)c1nnc(-c2ncccc2C)n1CC ZINC000358732442 404773172 /nfs/dbraw/zinc/77/31/72/404773172.db2.gz IWDAFCGBWFRECN-UHFFFAOYSA-N 0 0 301.394 2.307 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC[C@@H]1COc1cccnc1C ZINC000416671040 404876549 /nfs/dbraw/zinc/87/65/49/404876549.db2.gz MZZMBCIPAUQODH-CQSZACIVSA-N 0 0 310.419 2.139 10 30 DEEERN C=CCOc1ccccc1CN(C)C[C@H]1CCS(=O)(=O)C1 ZINC000353783502 404965801 /nfs/dbraw/zinc/96/58/01/404965801.db2.gz XPWWMTOZSIOAHW-CQSZACIVSA-N 0 0 309.431 2.118 10 30 DEEERN C[C@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1c(F)cccc1F ZINC000367157383 404950073 /nfs/dbraw/zinc/95/00/73/404950073.db2.gz HSAMAGYLJLYCCA-WCQYABFASA-N 0 0 319.355 2.267 10 30 DEEERN Cc1ccc(-n2cc(C(=O)Nc3cc(C#N)ccn3)nn2)cc1 ZINC000435998933 405034716 /nfs/dbraw/zinc/03/47/16/405034716.db2.gz XJAHWXBUJNIJMY-UHFFFAOYSA-N 0 0 304.313 2.095 10 30 DEEERN Cc1ccc(N2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)nc1C#N ZINC000408033377 405094033 /nfs/dbraw/zinc/09/40/33/405094033.db2.gz LIJKLHAXFGZJGY-UNEWFSDZSA-N 0 0 301.390 2.018 10 30 DEEERN N#Cc1ccccc1CN1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408036560 405095245 /nfs/dbraw/zinc/09/52/45/405095245.db2.gz UUSJIMOGQQFSSA-RCCFBDPRSA-N 0 0 300.402 2.310 10 30 DEEERN C=CC(C)(C)CNS(=O)(=O)c1ccccc1Cn1ccnc1 ZINC000451815310 405049809 /nfs/dbraw/zinc/04/98/09/405049809.db2.gz WBLVTBUMTNPWPN-UHFFFAOYSA-N 0 0 319.430 2.422 10 30 DEEERN C=CCN(CCOC)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416232842 405065949 /nfs/dbraw/zinc/06/59/49/405065949.db2.gz YAKKGRQDUQCCMI-UHFFFAOYSA-N 0 0 302.418 2.096 10 30 DEEERN C=CC1CCN(S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)CC1 ZINC000416391162 405128385 /nfs/dbraw/zinc/12/83/85/405128385.db2.gz PXFSLDPYPMMEKR-GFCCVEGCSA-N 0 0 309.435 2.367 10 30 DEEERN C=CCC[C@H](CO)NS(=O)(=O)c1c(F)cccc1Cl ZINC000452022430 405130081 /nfs/dbraw/zinc/13/00/81/405130081.db2.gz LHDBCSKTWQUFFN-SECBINFHSA-N 0 0 307.774 2.085 10 30 DEEERN C=CCC1(C(=O)N2CCC(C(=O)OCC)CC2)CCOCC1 ZINC000424534254 405111874 /nfs/dbraw/zinc/11/18/74/405111874.db2.gz ZUYRLUJXHPZQSZ-UHFFFAOYSA-N 0 0 309.406 2.161 10 30 DEEERN C=CCCOCCNS(=O)(=O)c1ccc(Cl)c(OC)c1 ZINC000416442827 405142496 /nfs/dbraw/zinc/14/24/96/405142496.db2.gz USGUMSPHZBMHRH-UHFFFAOYSA-N 0 0 319.810 2.220 10 30 DEEERN C=CCC1(C(=O)N[C@H](CO)Cc2ccc(C)cc2)CCOCC1 ZINC000424790159 405179408 /nfs/dbraw/zinc/17/94/08/405179408.db2.gz IXPVFVFARHFAMX-KRWDZBQOSA-N 0 0 317.429 2.388 10 30 DEEERN C=CCC1(C(=O)N2C[C@H](C)O[C@@]3(CCCOC3)C2)CCOCC1 ZINC000424840704 405193077 /nfs/dbraw/zinc/19/30/77/405193077.db2.gz RWEATGWJLDWOET-YJBOKZPZSA-N 0 0 323.433 2.156 10 30 DEEERN N#Cc1ccc(C(=O)N2CCC[C@@]3(CCCOC3)C2)cc1O ZINC000408425298 405203497 /nfs/dbraw/zinc/20/34/97/405203497.db2.gz FLWVOLIBHXMKLG-QGZVFWFLSA-N 0 0 300.358 2.297 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-c2cnn(C)c2)o1 ZINC000424920818 405213166 /nfs/dbraw/zinc/21/31/66/405213166.db2.gz DHOKVPZKXYIEGI-AAEUAGOBSA-N 0 0 301.346 2.001 10 30 DEEERN C=CCOCC(=O)N(Cc1cc(OC)ccc1OC)C1CC1 ZINC000354444600 405214276 /nfs/dbraw/zinc/21/42/76/405214276.db2.gz KZICBNBVCQXCKA-UHFFFAOYSA-N 0 0 305.374 2.397 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000452937522 405262095 /nfs/dbraw/zinc/26/20/95/405262095.db2.gz DWRWTIGZBYCATE-CABCVRRESA-N 0 0 300.333 2.189 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000438265212 405239723 /nfs/dbraw/zinc/23/97/23/405239723.db2.gz BWEFMPQSGBZYIJ-MRXNPFEDSA-N 0 0 319.361 2.103 10 30 DEEERN CO[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C[C@H]1C ZINC000452832820 405249268 /nfs/dbraw/zinc/24/92/68/405249268.db2.gz KRXAFSJSFGUAPP-XNJGSVPQSA-N 0 0 324.421 2.131 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1CCC(C)(C)CC1 ZINC000425880363 405326324 /nfs/dbraw/zinc/32/63/24/405326324.db2.gz BQJXDGYNHNMVMB-GJZGRUSLSA-N 0 0 322.449 2.026 10 30 DEEERN Cc1cc(N(CCC#N)C(=O)CN(C)CCCO)ccc1Cl ZINC000440941764 405331900 /nfs/dbraw/zinc/33/19/00/405331900.db2.gz DHMCXCGSQKXLMM-UHFFFAOYSA-N 0 0 323.824 2.209 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CCOCC1 ZINC000425544060 405300773 /nfs/dbraw/zinc/30/07/73/405300773.db2.gz DAZWXNJUCXSCLF-CVEARBPZSA-N 0 0 306.450 2.302 10 30 DEEERN C=CCn1cc(CNC(=O)N(CC)[C@H](C)c2cccnc2)nn1 ZINC000425565417 405303597 /nfs/dbraw/zinc/30/35/97/405303597.db2.gz NZDSFOPQZMTRGJ-CYBMUJFWSA-N 0 0 314.393 2.152 10 30 DEEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1cccc(N(C)C)c1C ZINC000440256461 405307499 /nfs/dbraw/zinc/30/74/99/405307499.db2.gz CPIXYTSTASZHJB-CYBMUJFWSA-N 0 0 303.406 2.470 10 30 DEEERN C=C(C)CCNC(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000455332541 405398160 /nfs/dbraw/zinc/39/81/60/405398160.db2.gz YBKGHQRPBKNZPO-INIZCTEOSA-N 0 0 304.390 2.442 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000448647621 405431836 /nfs/dbraw/zinc/43/18/36/405431836.db2.gz JBEQREYGXXTSSX-MRXNPFEDSA-N 0 0 313.332 2.250 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)Cc1cc(F)cc(OC)c1 ZINC000455606159 405433407 /nfs/dbraw/zinc/43/34/07/405433407.db2.gz NMQFWSCNEKEZHL-RISCZKNCSA-N 0 0 310.369 2.002 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1cn(C)nc1C ZINC000448753868 405444429 /nfs/dbraw/zinc/44/44/29/405444429.db2.gz XUQCODANCUISJY-UHFFFAOYSA-N 0 0 313.401 2.494 10 30 DEEERN C=CCC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000456774830 405560619 /nfs/dbraw/zinc/56/06/19/405560619.db2.gz JZKPDQIETOCPEK-QLFBSQMISA-N 0 0 317.385 2.005 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000458702591 405549329 /nfs/dbraw/zinc/54/93/29/405549329.db2.gz YYLUSTFOMMUQCY-DZGCQCFKSA-N 0 0 304.390 2.445 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1nc(CC)c[nH]1 ZINC000635920604 405605285 /nfs/dbraw/zinc/60/52/85/405605285.db2.gz UFBBZYMESGDMJZ-UHFFFAOYSA-N 0 0 317.389 2.205 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCC(=O)Nc1cccnc1 ZINC000633410688 405628707 /nfs/dbraw/zinc/62/87/07/405628707.db2.gz ASGZTMMGTGBSQB-UHFFFAOYSA-N 0 0 304.394 2.312 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1coc(C(F)(F)F)n1 ZINC000635889803 405584060 /nfs/dbraw/zinc/58/40/60/405584060.db2.gz MNIFULKHZIYWRX-SCZZXKLOSA-N 0 0 304.268 2.404 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1c(F)cncc1Br ZINC000633360833 405594521 /nfs/dbraw/zinc/59/45/21/405594521.db2.gz GMKSVXSAMCWREP-QMMMGPOBSA-N 0 0 317.158 2.040 10 30 DEEERN C=C(C)CCNC(=O)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000458989184 405680063 /nfs/dbraw/zinc/68/00/63/405680063.db2.gz AWESQBOPXJTZFL-RDJZCZTQSA-N 0 0 306.381 2.462 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)Cc1coc2c1ccc(OC)c2C ZINC000633591657 405732776 /nfs/dbraw/zinc/73/27/76/405732776.db2.gz ZNKDMNOWUNKOFB-AWEZNQCLSA-N 0 0 315.369 2.183 10 30 DEEERN C=CCOc1ccc(CC(=O)NCC[C@H](C)[S@@](C)=O)cc1 ZINC000450153063 405759133 /nfs/dbraw/zinc/75/91/33/405759133.db2.gz SCTSBKOTBBFGJV-YEJXKQKISA-N 0 0 309.431 2.067 10 30 DEEERN CN1C[C@H](NC(=O)c2cccc(C#N)c2)CC[C@H]1C(F)(F)F ZINC000583618079 405776495 /nfs/dbraw/zinc/77/64/95/405776495.db2.gz APRDKUOSZUGNOF-OLZOCXBDSA-N 0 0 311.307 2.313 10 30 DEEERN C=CCN1C(=O)N=NC1SCC(=O)[C@@H]1Cc2ccccc21 ZINC000530283965 405779019 /nfs/dbraw/zinc/77/90/19/405779019.db2.gz ARLULSDTQMKIIC-GFCCVEGCSA-N 0 0 301.371 2.171 10 30 DEEERN C=CCOCCCNC(=O)CC1CCN(CC(F)(F)F)CC1 ZINC000636199111 405809703 /nfs/dbraw/zinc/80/97/03/405809703.db2.gz BOLCZAIRWJQXJD-UHFFFAOYSA-N 0 0 322.371 2.360 10 30 DEEERN C[C@@H](COCC(F)(F)F)NC(=O)Cc1cccc(C#N)c1 ZINC000530680206 405844561 /nfs/dbraw/zinc/84/45/61/405844561.db2.gz GEPWWROQSVKBER-JTQLQIEISA-N 0 0 300.280 2.184 10 30 DEEERN C=CCN(C(=O)C1CC(C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000457458759 405848358 /nfs/dbraw/zinc/84/83/58/405848358.db2.gz PAROVMCZUFKCTK-RUXDESIVSA-N 0 0 313.463 2.260 10 30 DEEERN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000457627686 405925601 /nfs/dbraw/zinc/92/56/01/405925601.db2.gz YLIDNVBSMSZNOV-SGMGOOAPSA-N 0 0 321.339 2.274 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000633964547 405933603 /nfs/dbraw/zinc/93/36/03/405933603.db2.gz ONOONQLUKFEOTL-UHFFFAOYSA-N 0 0 324.446 2.197 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1cccc(OC)c1 ZINC000636452781 405967486 /nfs/dbraw/zinc/96/74/86/405967486.db2.gz FTGMVFFIKKCPDP-UHFFFAOYSA-N 0 0 318.417 2.420 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1c(Br)cnn1C ZINC000633977998 405940623 /nfs/dbraw/zinc/94/06/23/405940623.db2.gz FVMRBBNYHHOSJB-SECBINFHSA-N 0 0 300.200 2.401 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000450582270 405964662 /nfs/dbraw/zinc/96/46/62/405964662.db2.gz HHANBSATZSHUQT-KRWDZBQOSA-N 0 0 323.396 2.371 10 30 DEEERN C=CCOCC(=O)Nc1cc(C)cc(NC(=O)COCC=C)c1 ZINC000633913288 405903238 /nfs/dbraw/zinc/90/32/38/405903238.db2.gz YFJYOJWOYWTTPE-UHFFFAOYSA-N 0 0 318.373 2.277 10 30 DEEERN C=CCOc1ccc(C(=O)N(C)[C@@H]2CCCCN(C)C2=O)cc1 ZINC000634143728 406019745 /nfs/dbraw/zinc/01/97/45/406019745.db2.gz PKNIMCMCMBDHLZ-MRXNPFEDSA-N 0 0 316.401 2.334 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc(C)c(OC)c1 ZINC000636607313 406025600 /nfs/dbraw/zinc/02/56/00/406025600.db2.gz YDSKVPLCMFCSFO-UHFFFAOYSA-N 0 0 318.417 2.338 10 30 DEEERN C=CCCCCCNC(=O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000566434950 406089201 /nfs/dbraw/zinc/08/92/01/406089201.db2.gz KIRMTDMDNKOHGW-GJZGRUSLSA-N 0 0 307.438 2.433 10 30 DEEERN C=CCN(CCc1ccco1)S(=O)(=O)CC1(C#N)CCC1 ZINC000567312715 406095368 /nfs/dbraw/zinc/09/53/68/406095368.db2.gz AZNRBVOYKYAVIX-UHFFFAOYSA-N 0 0 308.403 2.334 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000567472242 406096642 /nfs/dbraw/zinc/09/66/42/406096642.db2.gz FXLSTNHFAMOABC-OAHLLOKOSA-N 0 0 317.437 2.001 10 30 DEEERN CC#CCNC(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000632196014 406044095 /nfs/dbraw/zinc/04/40/95/406044095.db2.gz NRIULUOZKKWTRR-BFHYXJOUSA-N 0 0 304.187 2.474 10 30 DEEERN C=C1CC(C)(C(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)C1 ZINC000632204312 406048671 /nfs/dbraw/zinc/04/86/71/406048671.db2.gz KNXNXJOLHAVKAI-CYBMUJFWSA-N 0 0 311.385 2.258 10 30 DEEERN CC(=O)c1cccc(OCC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000634198973 406051861 /nfs/dbraw/zinc/05/18/61/406051861.db2.gz SUQADMKTQOZOMG-GDBMZVCRSA-N 0 0 300.358 2.419 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000636718857 406062437 /nfs/dbraw/zinc/06/24/37/406062437.db2.gz GKNPFFPANKKCNW-ZDUSSCGKSA-N 0 0 318.421 2.012 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000564792107 406065294 /nfs/dbraw/zinc/06/52/94/406065294.db2.gz BRYZGCKCAZTPTP-UAGQMJEPSA-N 0 0 317.385 2.175 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000636757281 406073875 /nfs/dbraw/zinc/07/38/75/406073875.db2.gz LYEXLIGVRCPHTE-NSHDSACASA-N 0 0 321.421 2.057 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)[C@@]1(COC)CCOC1 ZINC000460019244 406074237 /nfs/dbraw/zinc/07/42/37/406074237.db2.gz JPACWRKMVXVWQF-QGZVFWFLSA-N 0 0 307.365 2.393 10 30 DEEERN C=CCOCCOc1cc(Br)ccc1C(N)=O ZINC000634537982 406162916 /nfs/dbraw/zinc/16/29/16/406162916.db2.gz SWUGRHQKMNWJDF-UHFFFAOYSA-N 0 0 300.152 2.129 10 30 DEEERN C=CCOCCNC(=O)c1cc2c(cc(OC)cc2OC)[nH]1 ZINC000632359032 406105570 /nfs/dbraw/zinc/10/55/70/406105570.db2.gz GILXHJKWSGSOSP-UHFFFAOYSA-N 0 0 304.346 2.118 10 30 DEEERN C=CCn1c(-c2cnn(C)c2)nnc1N1CCC(CCF)CC1 ZINC000634340892 406107537 /nfs/dbraw/zinc/10/75/37/406107537.db2.gz DCLSZXZLIWFTCI-UHFFFAOYSA-N 0 0 318.400 2.441 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000516910001 406109428 /nfs/dbraw/zinc/10/94/28/406109428.db2.gz AJKZIFHBRRYGER-VVLHAWIVSA-N 0 0 316.401 2.407 10 30 DEEERN C=CC1CCN(C(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)CC1 ZINC000517224992 406125159 /nfs/dbraw/zinc/12/51/59/406125159.db2.gz QMEJUMGROQEGSL-MRXNPFEDSA-N 0 0 315.373 2.341 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC1CCC(COC)CC1 ZINC000636964513 406135369 /nfs/dbraw/zinc/13/53/69/406135369.db2.gz GUNNFLJTECPFQG-UHFFFAOYSA-N 0 0 324.465 2.416 10 30 DEEERN C=CCOCC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC000634482008 406147803 /nfs/dbraw/zinc/14/78/03/406147803.db2.gz VGMGTAYTAUCEOE-UHFFFAOYSA-N 0 0 304.346 2.185 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](CC)[C@@H]1CCCCO1 ZINC000637007808 406147853 /nfs/dbraw/zinc/14/78/53/406147853.db2.gz SWSPMYFQLJJKRD-KBPBESRZSA-N 0 0 310.438 2.169 10 30 DEEERN C=CCC1(NS(=O)(=O)C[C@H]2CCC2(F)F)CCOCC1 ZINC000632555837 406180223 /nfs/dbraw/zinc/18/02/23/406180223.db2.gz SZYWVNCVKCKPCE-LLVKDONJSA-N 0 0 309.378 2.076 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)[C@@H]1CCN(C2CCC2)C1=O ZINC000639643061 406184583 /nfs/dbraw/zinc/18/45/83/406184583.db2.gz ZKEBFRRDXOPSLP-QGZVFWFLSA-N 0 0 318.417 2.303 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000568384917 406217876 /nfs/dbraw/zinc/21/78/76/406217876.db2.gz XMTAIGHXCFJZLF-HRCADAONSA-N 0 0 308.422 2.178 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)CO ZINC000632662226 406218832 /nfs/dbraw/zinc/21/88/32/406218832.db2.gz VWCCQFQSROCQQF-HUUCEWRRSA-N 0 0 324.465 2.105 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)NCC[C@H](O)C(F)F ZINC000637223585 406219655 /nfs/dbraw/zinc/21/96/55/406219655.db2.gz LFZFLRRSXGWTSY-KBPBESRZSA-N 0 0 312.360 2.489 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)NCC[C@@H](O)C(F)F ZINC000637223588 406220009 /nfs/dbraw/zinc/22/00/09/406220009.db2.gz LFZFLRRSXGWTSY-ZIAGYGMSSA-N 0 0 312.360 2.489 10 30 DEEERN C=CCN(C)c1nnc([C@@]2(C)CCCO2)n1C[C@@H]1CCCCO1 ZINC000568721792 406220721 /nfs/dbraw/zinc/22/07/21/406220721.db2.gz VAZAONCIOCMRBD-WMLDXEAASA-N 0 0 320.437 2.495 10 30 DEEERN N#Cc1cccc(CC(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000536239888 406253447 /nfs/dbraw/zinc/25/34/47/406253447.db2.gz OBEJRWPMXYQLGL-OCCSQVGLSA-N 0 0 312.291 2.015 10 30 DEEERN C=CCCCCNC(=O)C(=O)N[C@H](CF)c1ccc(F)cc1 ZINC000637314355 406253570 /nfs/dbraw/zinc/25/35/70/406253570.db2.gz LRPJNGLQHNPZJY-CQSZACIVSA-N 0 0 310.344 2.425 10 30 DEEERN N#Cc1cccc(CC(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000536239869 406253803 /nfs/dbraw/zinc/25/38/03/406253803.db2.gz OBEJRWPMXYQLGL-GXTWGEPZSA-N 0 0 312.291 2.015 10 30 DEEERN C=C1CC(C)(C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)C1 ZINC000632823215 406278160 /nfs/dbraw/zinc/27/81/60/406278160.db2.gz LFFPROQDFXAHOS-UHFFFAOYSA-N 0 0 317.320 2.177 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(C2CCC(c3nc(C)no3)CC2)C1=O ZINC000569949238 406325212 /nfs/dbraw/zinc/32/52/12/406325212.db2.gz BJLXIVXQTOKPBU-BPCQOVAHSA-N 0 0 318.377 2.291 10 30 DEEERN C=CCCCCCNC(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000570106389 406347474 /nfs/dbraw/zinc/34/74/74/406347474.db2.gz JCABQWDWHIBODF-CQSZACIVSA-N 0 0 307.369 2.398 10 30 DEEERN C=CCC[C@H](CO)NC(=O)C1(CC(=O)OC(C)(C)C)CCC1 ZINC000569726762 406296499 /nfs/dbraw/zinc/29/64/99/406296499.db2.gz DVDVBHOIBKGQAB-CYBMUJFWSA-N 0 0 311.422 2.332 10 30 DEEERN C=CCCOCC(=O)N1c2ccccc2N(C)C(=O)C1(C)C ZINC000637754893 406413535 /nfs/dbraw/zinc/41/35/35/406413535.db2.gz FDTYTLZZMDARAY-UHFFFAOYSA-N 0 0 302.374 2.367 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000635259632 406478053 /nfs/dbraw/zinc/47/80/53/406478053.db2.gz GBRWIFWHDJZTCS-UHFFFAOYSA-N 0 0 306.410 2.084 10 30 DEEERN C=CCCCS(=O)(=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000489839988 406434538 /nfs/dbraw/zinc/43/45/38/406434538.db2.gz FZLJKBRLAIGPRF-KRWDZBQOSA-N 0 0 323.458 2.309 10 30 DEEERN C=CCOc1cccc(C[N@H+]2CC[C@@](COC)(C(=O)[O-])C2)c1 ZINC000635317794 406498676 /nfs/dbraw/zinc/49/86/76/406498676.db2.gz KOJSHVRXVYERCW-QGZVFWFLSA-N 0 0 305.374 2.175 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)N2OC3CCC2CC3)c1 ZINC000635440201 406538115 /nfs/dbraw/zinc/53/81/15/406538115.db2.gz WVDQVCYWYKLIHT-UHFFFAOYSA-N 0 0 316.357 2.275 10 30 DEEERN CCC[C@H](C#N)NS(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000571585843 406539842 /nfs/dbraw/zinc/53/98/42/406539842.db2.gz BIYMJYJNGFWKBA-GFCCVEGCSA-N 0 0 305.403 2.457 10 30 DEEERN C=CCC[C@H](NC(=O)C1=CCS(=O)(=O)C1)c1ccccc1 ZINC000635718219 406701914 /nfs/dbraw/zinc/70/19/14/406701914.db2.gz YXXLYZUJKLILQH-HNNXBMFYSA-N 0 0 305.399 2.165 10 30 DEEERN Cc1nc([C@](C)(NC(=O)c2cc(C#N)oc2C)C2CC2)no1 ZINC000572791137 406739153 /nfs/dbraw/zinc/73/91/53/406739153.db2.gz AQZGKTKVCVINKG-OAHLLOKOSA-N 0 0 300.318 2.206 10 30 DEEERN C=CCCCNC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC000573173344 406769832 /nfs/dbraw/zinc/76/98/32/406769832.db2.gz WBNJHSTVULIUQB-UHFFFAOYSA-N 0 0 315.373 2.423 10 30 DEEERN CCOC(=O)Cc1ccc(OC(F)F)c(C#N)c1[N+](=O)[O-] ZINC000575388606 406808748 /nfs/dbraw/zinc/80/87/48/406808748.db2.gz ZYMISPHOLGBBQF-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN CCOC(=O)Cc1cc(OC(F)(F)F)c([N+](=O)[O-])cc1C#N ZINC000575395637 406808955 /nfs/dbraw/zinc/80/89/55/406808955.db2.gz LUGKHEIEEJKIGK-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN CCOC(=O)Cc1c(C#N)c(OC(F)(F)F)ccc1[N+](=O)[O-] ZINC000575395980 406809702 /nfs/dbraw/zinc/80/97/02/406809702.db2.gz ZIIGIZMEJUPFFP-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN N#CCc1ccc(F)c(I)c1[N+](=O)[O-] ZINC000575707001 406821407 /nfs/dbraw/zinc/82/14/07/406821407.db2.gz FMTDGDLNWQOGAC-UHFFFAOYSA-N 0 0 306.034 2.405 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCO[C@H](C(C)C)C1 ZINC000575982894 406827923 /nfs/dbraw/zinc/82/79/23/406827923.db2.gz ABPVURZNXJPZCS-VGWMRTNUSA-N 0 0 310.438 2.328 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc2c1CCCN2 ZINC000577275336 406836131 /nfs/dbraw/zinc/83/61/31/406836131.db2.gz VCNVWQJENYEILQ-YOEHRIQHSA-N 0 0 315.417 2.435 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCC(c3cc[nH]n3)CC2)s1 ZINC000129126022 196021830 /nfs/dbraw/zinc/02/18/30/196021830.db2.gz HVEYLDMPXDTMSP-UHFFFAOYSA-N 0 0 317.418 2.484 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000129818158 196078289 /nfs/dbraw/zinc/07/82/89/196078289.db2.gz FKUICPJGAXHOIU-AWEZNQCLSA-N 0 0 323.400 2.326 10 30 DEEERN C[C@H]1CN(c2ccc(Br)cc2C#N)S(=O)(=O)C1 ZINC000132569461 196266045 /nfs/dbraw/zinc/26/60/45/196266045.db2.gz QWSJMQJUWUIHNH-QMMMGPOBSA-N 0 0 315.192 2.107 10 30 DEEERN Cn1ncc(Br)c1[C@@](C)(O)c1cccc(C#N)c1 ZINC000133075653 196310164 /nfs/dbraw/zinc/31/01/64/196310164.db2.gz OAVBOSLUQYIROJ-ZDUSSCGKSA-N 0 0 306.163 2.310 10 30 DEEERN C#CCn1ncc(NCc2cccs2)c(Br)c1=O ZINC000133564524 196331296 /nfs/dbraw/zinc/33/12/96/196331296.db2.gz HEKWIZBSQOIJLW-UHFFFAOYSA-N 0 0 324.203 2.313 10 30 DEEERN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CCC#N ZINC000133760983 196334426 /nfs/dbraw/zinc/33/44/26/196334426.db2.gz OHGCKQBISMUDAS-UHFFFAOYSA-N 0 0 317.754 2.091 10 30 DEEERN C=CCn1ncc(NCCc2ccco2)c(Br)c1=O ZINC000134027281 196355272 /nfs/dbraw/zinc/35/52/72/196355272.db2.gz AOUKAHSISONDNE-UHFFFAOYSA-N 0 0 324.178 2.439 10 30 DEEERN C#CCn1ncc(NCCCC(C)C)c(Br)c1=O ZINC000134084487 196360039 /nfs/dbraw/zinc/36/00/39/196360039.db2.gz DWBJTVIGUAEFHD-UHFFFAOYSA-N 0 0 312.211 2.487 10 30 DEEERN C=CCN(CCO)Cc1c(Br)c(CC)nn1CC ZINC000135920563 196509651 /nfs/dbraw/zinc/50/96/51/196509651.db2.gz SHVWAAQPMIDCJE-UHFFFAOYSA-N 0 0 316.243 2.208 10 30 DEEERN Cc1c(C#CCCO)cccc1C(=O)N1CCS[C@H](C)C1 ZINC000137311208 196571984 /nfs/dbraw/zinc/57/19/84/196571984.db2.gz NKZAVFUNIPNLCN-CYBMUJFWSA-N 0 0 303.427 2.306 10 30 DEEERN C[C@@](C#N)(NC(=O)CN1CCC[C@H](c2nccs2)C1)C1CC1 ZINC000195354759 225204225 /nfs/dbraw/zinc/20/42/25/225204225.db2.gz GAFHQQUMBASMNZ-LRDDRELGSA-N 0 0 318.446 2.131 10 30 DEEERN Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)C[C@H]1CCCCNC1=O ZINC000329162170 225843125 /nfs/dbraw/zinc/84/31/25/225843125.db2.gz FRLRWDRISVCNCG-DYEKYZERSA-N 0 0 320.393 2.353 10 30 DEEERN O=C(C[C@H]1CCCCNC1=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000329241467 225852914 /nfs/dbraw/zinc/85/29/14/225852914.db2.gz NPNBPFHZORFZEH-CYBMUJFWSA-N 0 0 321.421 2.491 10 30 DEEERN Cc1cccc2c1OCC[C@H]2NC(=O)N1CC[C@H](CCO)C1 ZINC000329948754 225948630 /nfs/dbraw/zinc/94/86/30/225948630.db2.gz ZIJIOAXWPRJERJ-UKRRQHHQSA-N 0 0 304.390 2.437 10 30 DEEERN CCn1cc([C@@H]2OCCC[C@H]2C(=O)N[C@@H]2CCC[C@@H]2C#N)cn1 ZINC000334114029 226114642 /nfs/dbraw/zinc/11/46/42/226114642.db2.gz FMVWDUYHCGPXJW-MIGQKNRLSA-N 0 0 316.405 2.179 10 30 DEEERN N#CCCCCNC(=O)[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000369769118 227038541 /nfs/dbraw/zinc/03/85/41/227038541.db2.gz YZSVAHSNGNHOMB-INIZCTEOSA-N 0 0 323.400 2.409 10 30 DEEERN Cc1ccccc1C(C)(C)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000370974885 227062217 /nfs/dbraw/zinc/06/22/17/227062217.db2.gz VTDKTHKIKXYPFW-INIZCTEOSA-N 0 0 311.429 2.471 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)c2ccoc2C(F)(F)F)C1=O ZINC000290901301 222007325 /nfs/dbraw/zinc/00/73/25/222007325.db2.gz OABZAXBVNUGZCW-JTQLQIEISA-N 0 0 316.279 2.157 10 30 DEEERN C=CCN(c1nnc([C@@H]2COCCO2)n1CC(C)C)C1CC1 ZINC000291483599 222420348 /nfs/dbraw/zinc/42/03/48/222420348.db2.gz HUKFJIGFZGKALI-AWEZNQCLSA-N 0 0 306.410 2.177 10 30 DEEERN N#Cc1ccc(N[C@@H]2CCN(c3c(F)cccc3F)C2)nn1 ZINC000301961075 230005073 /nfs/dbraw/zinc/00/50/73/230005073.db2.gz MNEKWBHTWLTORP-LLVKDONJSA-N 0 0 301.300 2.317 10 30 DEEERN Cc1ccc(N(C)[C@@H]2CCCN(c3cccnn3)C2)nc1C#N ZINC000302675857 230344976 /nfs/dbraw/zinc/34/49/76/230344976.db2.gz UJNBTECPVDKHIL-CQSZACIVSA-N 0 0 308.389 2.157 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)c1 ZINC000527475609 421388698 /nfs/dbraw/zinc/38/86/98/421388698.db2.gz ROAZSIQXKFIVMB-CQSZACIVSA-N 0 0 310.357 2.357 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1nn2c(nc(CCC)cc2=O)s1 ZINC000521866116 421802754 /nfs/dbraw/zinc/80/27/54/421802754.db2.gz WNYPHDRGIZZOLZ-JQWIXIFHSA-N 0 0 320.418 2.107 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(-c2ccc(C)o2)n[nH]1 ZINC000616823629 422518974 /nfs/dbraw/zinc/51/89/74/422518974.db2.gz STCGRWHFTMSMTO-CYBMUJFWSA-N 0 0 316.361 2.388 10 30 DEEERN N#Cc1nc(N[C@H]2CCCC[C@@H]2C(N)=O)ccc1C(F)(F)F ZINC000619696702 422531548 /nfs/dbraw/zinc/53/15/48/422531548.db2.gz UTVHZFLUJHUMTR-WPRPVWTQSA-N 0 0 312.295 2.428 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCO[C@@](C)(C3CC3)C2)s1 ZINC000622136833 422537900 /nfs/dbraw/zinc/53/79/00/422537900.db2.gz VWLOXGVBOJQIQS-OAHLLOKOSA-N 0 0 307.419 2.382 10 30 DEEERN C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1ccnc(C#N)c1 ZINC000194321810 424874721 /nfs/dbraw/zinc/87/47/21/424874721.db2.gz XWUFNTLDWVFRIT-ZDUSSCGKSA-N 0 0 324.359 2.443 10 30 DEEERN C=CCCOCCNC(=O)c1nscc1Br ZINC000404714767 424928248 /nfs/dbraw/zinc/92/82/48/424928248.db2.gz PIEQDKKNOPKDFA-UHFFFAOYSA-N 0 0 305.197 2.228 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(C)n([C@H](C)C2CC2)n1 ZINC000560426449 424889078 /nfs/dbraw/zinc/88/90/78/424889078.db2.gz NJRCTPDPHHUEQS-YUELXQCFSA-N 0 0 318.421 3.018 10 30 DEEERN C#CCN(C(=O)OC(C)(C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000307105650 424893023 /nfs/dbraw/zinc/89/30/23/424893023.db2.gz DCZXWMKINVANIB-UHFFFAOYSA-N 0 0 310.394 2.476 10 30 DEEERN C=CCC1(C(=O)Nc2cc(C(F)(F)F)n[nH]2)CCOCC1 ZINC000425203289 424995692 /nfs/dbraw/zinc/99/56/92/424995692.db2.gz LUWPREDNMGDSAS-UHFFFAOYSA-N 0 0 303.284 2.740 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1cc(C(=O)OCC)c(Cl)cn1 ZINC000425262524 424996637 /nfs/dbraw/zinc/99/66/37/424996637.db2.gz HLDXIJIVLLWHOH-GWCFXTLKSA-N 0 0 310.781 2.915 10 30 DEEERN C=CCNc1ncc(C(=O)NC[C@H]2CCO[C@@H](C(C)C)C2)s1 ZINC000452828895 425087261 /nfs/dbraw/zinc/08/72/61/425087261.db2.gz KOJKDTVVFRUFMG-QWHCGFSZSA-N 0 0 323.462 2.922 10 30 DEEERN CC(=O)c1ccc(C#N)c(N2CC[C@H](Nc3ncccn3)C2)c1 ZINC000514859872 269334735 /nfs/dbraw/zinc/33/47/35/269334735.db2.gz QNMZULIIRMZZLC-HNNXBMFYSA-N 0 0 307.357 2.242 10 30 DEEERN O=[N+]([O-])c1ccc(N2CCCCCC2)c(/C=N/n2cnnc2)c1 ZINC000005390770 275035972 /nfs/dbraw/zinc/03/59/72/275035972.db2.gz MKAGIKYUSGDHMR-VCHYOVAHSA-N 0 0 314.349 2.449 10 30 DEEERN CC(=O)N1c2ccccc2C(=C2C(=O)c3ccccc3C2=O)C1=O ZINC000020309760 275476557 /nfs/dbraw/zinc/47/65/57/275476557.db2.gz NLPVIKRQYPNHDX-UHFFFAOYSA-N 0 0 317.300 2.413 10 30 DEEERN C=C(C)CN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000367940775 276857857 /nfs/dbraw/zinc/85/78/57/276857857.db2.gz GUTOEAUAOUTGFC-DOTOQJQBSA-N 0 0 316.401 2.249 10 30 DEEERN CN1c2ccc(C(=O)Nc3cc(C#N)ccn3)cc2CCC1=O ZINC000436013147 277216390 /nfs/dbraw/zinc/21/63/90/277216390.db2.gz LVYXZZHFXALFEQ-UHFFFAOYSA-N 0 0 306.325 2.115 10 30 DEEERN C=C(CC)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000456814047 277810156 /nfs/dbraw/zinc/81/01/56/277810156.db2.gz SOYLMDDBLUAZBG-CQSZACIVSA-N 0 0 302.374 2.079 10 30 DEEERN C=CCCS(=O)(=O)N1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000425209222 277834440 /nfs/dbraw/zinc/83/44/40/277834440.db2.gz OJKWJOGZTUVWMQ-OLZOCXBDSA-N 0 0 317.451 2.335 10 30 DEEERN C=CCN(C(=O)Nc1cc2c(cc1C(=O)OC)OCO2)C1CC1 ZINC000277299837 277839712 /nfs/dbraw/zinc/83/97/12/277839712.db2.gz UGEAZFAGRICQDG-UHFFFAOYSA-N 0 0 318.329 2.384 10 30 DEEERN C=C[C@@H](C)NC(=O)C(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000346930656 277896321 /nfs/dbraw/zinc/89/63/21/277896321.db2.gz OMSVGWQZYLKMSB-GFCCVEGCSA-N 0 0 306.410 2.292 10 30 DEEERN C=C[C@H](C)NC(=O)C(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000346930659 277909717 /nfs/dbraw/zinc/90/97/17/277909717.db2.gz OMSVGWQZYLKMSB-LBPRGKRZSA-N 0 0 306.410 2.292 10 30 DEEERN C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000271951409 278095710 /nfs/dbraw/zinc/09/57/10/278095710.db2.gz JPHLPMJGLGJGCM-GPAUDHNESA-N 0 0 316.426 2.223 10 30 DEEERN CC1(C)SC[C@@H]1NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000328726788 281423603 /nfs/dbraw/zinc/42/36/03/281423603.db2.gz ZUHZVWHNUARVQU-UWVGGRQHSA-N 0 0 303.449 2.052 10 30 DEEERN N#Cc1cc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)ccc1F ZINC000408072606 294873263 /nfs/dbraw/zinc/87/32/63/294873263.db2.gz NXEINEDSNJYAAD-ZDUSSCGKSA-N 0 0 316.254 2.227 10 30 DEEERN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329565928 303509554 /nfs/dbraw/zinc/50/95/54/303509554.db2.gz KQLUPEJKCIPOAU-ARKGTOAJSA-N 0 0 319.405 2.375 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(Cc1ccccn1)C(C)C ZINC000574969878 332898876 /nfs/dbraw/zinc/89/88/76/332898876.db2.gz KLOFKTIONCNPTK-UHFFFAOYSA-N 0 0 303.406 2.243 10 30 DEEERN C=CCCOCCNC(=O)C(=O)Nc1ccc(C)c(CC)c1 ZINC000180641357 331575085 /nfs/dbraw/zinc/57/50/85/331575085.db2.gz IEPJYDSTDJHTAO-UHFFFAOYSA-N 0 0 304.390 2.205 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C(=O)OC)cs1 ZINC000584228333 331871481 /nfs/dbraw/zinc/87/14/81/331871481.db2.gz JXICHWJQWXPSII-ONGXEEELSA-N 0 0 310.375 2.247 10 30 DEEERN C[C@@H]1CCC[C@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)[C@@H]1C ZINC000363405349 331898903 /nfs/dbraw/zinc/89/89/03/331898903.db2.gz RNCCCJGVGBNEHV-XOUADPBQSA-N 0 0 304.438 2.193 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)Nc3nocc3C)cc2C1=O ZINC000123762457 332252706 /nfs/dbraw/zinc/25/27/06/332252706.db2.gz QMIFHNBDAWZRNQ-UHFFFAOYSA-N 0 0 311.297 2.017 10 30 DEEERN C=CCSCCNC(=O)N[C@H](CC(=O)NC)c1ccccc1 ZINC000430424677 334148878 /nfs/dbraw/zinc/14/88/78/334148878.db2.gz IXQDFWYAYJMWNV-CQSZACIVSA-N 0 0 321.446 2.082 10 30 DEEERN Cc1cc(C(=O)N(C)C2(C#N)CCC2)nn1-c1nc(C)cc(C)n1 ZINC000535011890 334356146 /nfs/dbraw/zinc/35/61/46/334356146.db2.gz KZRGBLNGBIJUDZ-UHFFFAOYSA-N 0 0 324.388 2.106 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000190148479 336259702 /nfs/dbraw/zinc/25/97/02/336259702.db2.gz JITXWTGAFDTVSD-LLVKDONJSA-N 0 0 323.336 2.007 10 30 DEEERN Cc1csc(NC2CCN(C(=O)NC[C@@H](C)C#N)CC2)n1 ZINC000582335304 336927739 /nfs/dbraw/zinc/92/77/39/336927739.db2.gz FHZQGPLGMZLGEL-JTQLQIEISA-N 0 0 307.423 2.197 10 30 DEEERN C=CCOCCCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000173078965 337131990 /nfs/dbraw/zinc/13/19/90/337131990.db2.gz CPGWHQFTVYPDNT-HUUCEWRRSA-N 0 0 313.463 2.482 10 30 DEEERN COCCCCS(=O)(=O)N[C@H](CCC#N)c1ccccc1 ZINC000185331810 337204164 /nfs/dbraw/zinc/20/41/64/337204164.db2.gz LUQVYOHPIMFASQ-OAHLLOKOSA-N 0 0 310.419 2.377 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CO[C@H](C)C1 ZINC000583750162 337329159 /nfs/dbraw/zinc/32/91/59/337329159.db2.gz ZEVHZFFNEDKVEM-TZMCWYRMSA-N 0 0 319.361 2.470 10 30 DEEERN COC(=O)CCCN1CC[C@@](C#N)(Cc2ccccc2)CC1=O ZINC000584645586 337380322 /nfs/dbraw/zinc/38/03/22/337380322.db2.gz HOEMYBVNDKFGBV-GOSISDBHSA-N 0 0 314.385 2.315 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC000514995248 337976144 /nfs/dbraw/zinc/97/61/44/337976144.db2.gz AVCHSDDMKFNDCB-VXGBXAGGSA-N 0 0 315.425 2.050 10 30 DEEERN C=CCSc1ccccc1C(=O)NCC[C@](C)(O)COC ZINC000452346775 338764392 /nfs/dbraw/zinc/76/43/92/338764392.db2.gz RUHKEZUVYLPEHH-INIZCTEOSA-N 0 0 309.431 2.482 10 30 DEEERN C=C(C)CCSc1nnc(-c2ccco2)n1CCC(N)=O ZINC000505630369 340173487 /nfs/dbraw/zinc/17/34/87/340173487.db2.gz AUUSIUZQIVKFAV-UHFFFAOYSA-N 0 0 306.391 2.472 10 30 DEEERN C=CCn1cc(CNC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)nn1 ZINC000529501417 340758118 /nfs/dbraw/zinc/75/81/18/340758118.db2.gz GVGNLVMGCQHDBV-JKSUJKDBSA-N 0 0 314.364 2.413 10 30 DEEERN C=CCOC[C@H]1NC(=O)N([C@@H](c2ccccn2)C2CCC2)C1=O ZINC000530204781 340782461 /nfs/dbraw/zinc/78/24/61/340782461.db2.gz XYBXZLSXHKORNL-HUUCEWRRSA-N 0 0 315.373 2.046 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccccc1OCc1ccncc1 ZINC000545991517 341149947 /nfs/dbraw/zinc/14/99/47/341149947.db2.gz UTQVHGUIJQSTNU-HNNXBMFYSA-N 0 0 312.369 2.327 10 30 DEEERN C=CCN(CC#Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000135187187 341233017 /nfs/dbraw/zinc/23/30/17/341233017.db2.gz HXSPJJNIBVDQAD-HNNXBMFYSA-N 0 0 323.845 2.367 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N(C)Cc1cnn(C)c1C ZINC000548851352 341278064 /nfs/dbraw/zinc/27/80/64/341278064.db2.gz LULAISNBQLVJTG-UHFFFAOYSA-N 0 0 312.377 2.402 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NC[C@H]1CCC(F)(F)C1 ZINC000566486836 341559682 /nfs/dbraw/zinc/55/96/82/341559682.db2.gz OAHPYRZNNRNCHQ-LBPRGKRZSA-N 0 0 302.365 2.401 10 30 DEEERN C=CCCn1cc(C(=O)NC[C@H]2CC23CCSCC3)nn1 ZINC000567494656 341610463 /nfs/dbraw/zinc/61/04/63/341610463.db2.gz VUANCDLJAFOHLC-GFCCVEGCSA-N 0 0 306.435 2.117 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)N[C@H](c2cccc(C)c2C)C1=O ZINC000567891357 341639034 /nfs/dbraw/zinc/63/90/34/341639034.db2.gz BKQGSTBHMDOXQU-CWRNSKLLSA-N 0 0 314.385 2.487 10 30 DEEERN Cc1ccc(CCNC(=O)c2cn(C)nc2[C@@H]2CCOC2)cn1 ZINC000328624698 341735022 /nfs/dbraw/zinc/73/50/22/341735022.db2.gz KAAGWKKMZLCCCH-CQSZACIVSA-N 0 0 314.389 2.175 10 30 DEEERN Cc1cc(C#N)nc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1 ZINC000577522569 341915473 /nfs/dbraw/zinc/91/54/73/341915473.db2.gz MJTXBOYQGKLMSP-CYBMUJFWSA-N 0 0 315.421 2.034 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N(C)C1CCN(OC)CC1 ZINC000453425664 534425121 /nfs/dbraw/zinc/42/51/21/534425121.db2.gz NYMJWGGQCAEOTR-UHFFFAOYSA-N 0 0 317.393 2.186 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N(C)[C@H](C)CCC ZINC000453429509 534426181 /nfs/dbraw/zinc/42/61/81/534426181.db2.gz RRLRFPRQOBRYFQ-LLVKDONJSA-N 0 0 303.414 2.193 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000494655787 534549970 /nfs/dbraw/zinc/54/99/70/534549970.db2.gz RUJFFYDKLRDZPE-HUUCEWRRSA-N 0 0 315.421 2.196 10 30 DEEERN N#CC1CCC(CNC(=O)NCCCOC[C@@H]2CCOC2)CC1 ZINC000440996313 534581586 /nfs/dbraw/zinc/58/15/86/534581586.db2.gz GMCSEWABKACVTQ-GPANFISMSA-N 0 0 323.437 2.059 10 30 DEEERN CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccnc(C#N)c1 ZINC000193063919 534696057 /nfs/dbraw/zinc/69/60/57/534696057.db2.gz PUBYAQOPSQOAOK-UHFFFAOYSA-N 0 0 316.267 2.442 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@H]1c1cccn1C ZINC000459861784 534699654 /nfs/dbraw/zinc/69/96/54/534699654.db2.gz KEGKCCOTMWESEX-HNNXBMFYSA-N 0 0 303.406 2.113 10 30 DEEERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1c[nH]c(C#N)c1)CC2 ZINC000376858353 534881628 /nfs/dbraw/zinc/88/16/28/534881628.db2.gz VDUDAJFZUMXYGD-UHFFFAOYSA-N 0 0 307.353 2.330 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCCCC(C)(C)CO ZINC000160360226 525954901 /nfs/dbraw/zinc/95/49/01/525954901.db2.gz DVYKFHYBTYXKLH-CYBMUJFWSA-N 0 0 304.390 2.240 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000365177425 525958494 /nfs/dbraw/zinc/95/84/94/525958494.db2.gz KWMLUEDAKWSTPE-LBPRGKRZSA-N 0 0 323.352 2.011 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCCC(=O)OC ZINC000359952982 526346646 /nfs/dbraw/zinc/34/66/46/526346646.db2.gz RVCRMOHQPMAZQF-UHFFFAOYSA-N 0 0 320.345 2.453 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1ncc[nH]1 ZINC000352540483 526347022 /nfs/dbraw/zinc/34/70/22/526347022.db2.gz LQXLAJVBZOZCBP-UHFFFAOYSA-N 0 0 314.345 2.465 10 30 DEEERN C=CCN(Cc1ccccc1)S(=O)(=O)c1cn(CC)cn1 ZINC000353292212 526358514 /nfs/dbraw/zinc/35/85/14/526358514.db2.gz ORHMHYBOLBHGMW-UHFFFAOYSA-N 0 0 305.403 2.280 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)c1ccnc2n[nH]nc21 ZINC000339262617 526364241 /nfs/dbraw/zinc/36/42/41/526364241.db2.gz CURGEHUNDRJDFZ-UHFFFAOYSA-N 0 0 311.320 2.320 10 30 DEEERN CC#CCNC(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375161357 526371957 /nfs/dbraw/zinc/37/19/57/526371957.db2.gz SHMWUTNZDQNZAR-UHFFFAOYSA-N 0 0 307.344 2.210 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)CCCC[C@H](C)C(C)=O)C1=O ZINC000281601684 526491673 /nfs/dbraw/zinc/49/16/73/526491673.db2.gz DJGIFHOUQRVJEO-ZFWWWQNUSA-N 0 0 308.422 2.017 10 30 DEEERN C=C(C)CN(C)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188394798 526493148 /nfs/dbraw/zinc/49/31/48/526493148.db2.gz GZLBSDRKEGDUTM-HNNXBMFYSA-N 0 0 319.380 2.144 10 30 DEEERN C=C(C)CN(C)C(=O)[C@H](F)C1CN(C(=O)OC(C)(C)C)C1 ZINC000368097800 526497349 /nfs/dbraw/zinc/49/73/49/526497349.db2.gz HMHFOKNHFOQPII-GFCCVEGCSA-N 0 0 300.374 2.226 10 30 DEEERN C=C(C)CN(CC)C(=O)CCc1nc(-c2ccncc2)no1 ZINC000248213109 526519573 /nfs/dbraw/zinc/51/95/73/526519573.db2.gz FEDACYCUYSNADR-UHFFFAOYSA-N 0 0 300.362 2.489 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cnnc(C)c1 ZINC000342384400 526558846 /nfs/dbraw/zinc/55/88/46/526558846.db2.gz WAHFAYCFROPBDU-UHFFFAOYSA-N 0 0 301.346 2.089 10 30 DEEERN C=C(C)CNC(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000190088802 526614035 /nfs/dbraw/zinc/61/40/35/526614035.db2.gz STMYRYPWRGXBEY-UHFFFAOYSA-N 0 0 301.390 2.167 10 30 DEEERN C=CCNC(=O)Nc1ccccc1-n1ccc(C(=O)OCC)n1 ZINC000108516353 526620335 /nfs/dbraw/zinc/62/03/35/526620335.db2.gz GCYDTKSRNDHNEZ-UHFFFAOYSA-N 0 0 314.345 2.357 10 30 DEEERN C=C(C)COCCNC(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000341434999 526633905 /nfs/dbraw/zinc/63/39/05/526633905.db2.gz GLFYEDSLRFEJHS-UHFFFAOYSA-N 0 0 318.373 2.162 10 30 DEEERN C=CCNC(=O)[C@H](C)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000246514624 526634929 /nfs/dbraw/zinc/63/49/29/526634929.db2.gz BMMVZNTXCQKVNS-WWGRRREGSA-N 0 0 306.381 2.278 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N2CCOCC[C@H]2C)cc1 ZINC000370323234 526647949 /nfs/dbraw/zinc/64/79/49/526647949.db2.gz GAMYFKKFWKZADL-CYBMUJFWSA-N 0 0 317.389 2.245 10 30 DEEERN C#CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000192211949 526666598 /nfs/dbraw/zinc/66/65/98/526666598.db2.gz LSPXCIIUTSUOGN-OAHLLOKOSA-N 0 0 316.376 2.092 10 30 DEEERN C=CCNc1nnc(Sc2ccc([N+](=O)[O-])c(C#N)n2)s1 ZINC000302689802 526683697 /nfs/dbraw/zinc/68/36/97/526683697.db2.gz CBZDHGRGWWKTSJ-UHFFFAOYSA-N 0 0 320.359 2.462 10 30 DEEERN C=C(C)CS(=O)(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000373825933 526686639 /nfs/dbraw/zinc/68/66/39/526686639.db2.gz VXURXJGRJONBCZ-JKSUJKDBSA-N 0 0 317.414 2.224 10 30 DEEERN C#CCCCS(=O)(=O)N1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000375321946 526719437 /nfs/dbraw/zinc/71/94/37/526719437.db2.gz XBDOGDJAYMGASE-ZBFHGGJFSA-N 0 0 307.415 2.192 10 30 DEEERN C#CCCCS(=O)(=O)N1C[C@H](c2ccccc2)OC[C@H]1C ZINC000375321939 526719684 /nfs/dbraw/zinc/71/96/84/526719684.db2.gz XBDOGDJAYMGASE-GDBMZVCRSA-N 0 0 307.415 2.192 10 30 DEEERN C=C(C)Cn1c(CCc2ccco2)nnc1N(C)CCOC ZINC000338805756 526729826 /nfs/dbraw/zinc/72/98/26/526729826.db2.gz GSCFPRRJSCTVGY-UHFFFAOYSA-N 0 0 304.394 2.315 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCCC1(C)C ZINC000292773627 526737383 /nfs/dbraw/zinc/73/73/83/526737383.db2.gz BRLGTQKIKSSKCH-ZDUSSCGKSA-N 0 0 306.410 2.321 10 30 DEEERN C=CCOCCCC(=O)N1Cc2cnnn2Cc2ccccc21 ZINC000189029648 526737696 /nfs/dbraw/zinc/73/76/96/526737696.db2.gz FHVYVLJWEADPCS-UHFFFAOYSA-N 0 0 312.373 2.156 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N(C)Cc1ccoc1 ZINC000338844932 526740110 /nfs/dbraw/zinc/74/01/10/526740110.db2.gz BDFODZDNYKXWDS-CQSZACIVSA-N 0 0 318.377 2.172 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CC(CO)(c2ccccc2)C1)OCC ZINC000412773223 526743379 /nfs/dbraw/zinc/74/33/79/526743379.db2.gz LQFHIQGVBNHBKP-MRXNPFEDSA-N 0 0 303.402 2.130 10 30 DEEERN C=CCOCCNC(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000367997094 526782445 /nfs/dbraw/zinc/78/24/45/526782445.db2.gz FCDQLZFGEVJJAM-UHFFFAOYSA-N 0 0 306.387 2.053 10 30 DEEERN C=C(C)[C@H](CC(=O)NC1(CO)Cc2ccccc2C1)OCC ZINC000373437366 526811925 /nfs/dbraw/zinc/81/19/25/526811925.db2.gz WFBLQURDYUDROJ-INIZCTEOSA-N 0 0 303.402 2.004 10 30 DEEERN C=CCO[C@@H]1CCN(c2ncccc2C(=O)N2CCCCC2)C1 ZINC000302132523 526820656 /nfs/dbraw/zinc/82/06/56/526820656.db2.gz HAPLQOCGQPHZHD-OAHLLOKOSA-N 0 0 315.417 2.489 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCCc1nccs1 ZINC000292570116 526832738 /nfs/dbraw/zinc/83/27/38/526832738.db2.gz RMADNJOGRAZHTR-TZMCWYRMSA-N 0 0 309.435 2.356 10 30 DEEERN C=C(CNC(=O)C1(C(=O)OCC)CCOCC1)c1ccccc1 ZINC000360227664 526865184 /nfs/dbraw/zinc/86/51/84/526865184.db2.gz WPFWTTMRJXTKAR-UHFFFAOYSA-N 0 0 317.385 2.176 10 30 DEEERN C=CCSCCNC(=O)NC[C@H]1COc2ccccc2O1 ZINC000338320731 526994319 /nfs/dbraw/zinc/99/43/19/526994319.db2.gz ZKBSSOXKVBBAQE-LBPRGKRZSA-N 0 0 308.403 2.045 10 30 DEEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000338833805 527019201 /nfs/dbraw/zinc/01/92/01/527019201.db2.gz LZLTYWCDDVYUNF-MRVPVSSYSA-N 0 0 315.295 2.428 10 30 DEEERN C#CCOCCC(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000367978002 527062209 /nfs/dbraw/zinc/06/22/09/527062209.db2.gz NJRQAGTVLVPCQF-AWEZNQCLSA-N 0 0 317.389 2.431 10 30 DEEERN C#CCOCCC(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000375927866 527067907 /nfs/dbraw/zinc/06/79/07/527067907.db2.gz PPZYXJCFOCFADR-UHFFFAOYSA-N 0 0 301.342 2.409 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccccc1OC(F)F ZINC000182849698 527091804 /nfs/dbraw/zinc/09/18/04/527091804.db2.gz WRRBDCJQQNIQML-NSHDSACASA-N 0 0 300.305 2.024 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@H](C)Sc1ccc(NC(C)=O)cc1 ZINC000337045568 527096812 /nfs/dbraw/zinc/09/68/12/527096812.db2.gz FIPGSVGQVZYAJT-FZMZJTMJSA-N 0 0 322.430 2.179 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1c[nH]nc1-c1cc2ccccc2o1 ZINC000189092176 527097906 /nfs/dbraw/zinc/09/79/06/527097906.db2.gz KBGNPLZWFJGCDN-LBPRGKRZSA-N 0 0 311.341 2.490 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)C1CN(CC(F)F)C1 ZINC000413991013 527105491 /nfs/dbraw/zinc/10/54/91/527105491.db2.gz UMJQEMXFSFFHEQ-HNNXBMFYSA-N 0 0 308.372 2.487 10 30 DEEERN C#CCSCCNC(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000296869640 527145440 /nfs/dbraw/zinc/14/54/40/527145440.db2.gz LRBKZWQGEZMNFF-MRVPVSSYSA-N 0 0 323.365 2.412 10 30 DEEERN C=CCCCCNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000367236222 527156457 /nfs/dbraw/zinc/15/64/57/527156457.db2.gz GDPSQQZTFHXXTQ-LSDHHAIUSA-N 0 0 310.438 2.210 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CN1CCCCCC1=O ZINC000287569572 527160257 /nfs/dbraw/zinc/16/02/57/527160257.db2.gz XBHZSJDBTVIRSO-KRWDZBQOSA-N 0 0 312.413 2.140 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@H](C)Cc1cccs1 ZINC000288172004 527176673 /nfs/dbraw/zinc/17/66/73/527176673.db2.gz POIXKOXRXGRTHX-CYBMUJFWSA-N 0 0 308.447 2.468 10 30 DEEERN CC(=O)c1cc(C#N)ccc1NC(=O)C(C)(C)c1cnn(C)c1 ZINC000411062524 527183735 /nfs/dbraw/zinc/18/37/35/527183735.db2.gz JYQLPFAQVROGDS-UHFFFAOYSA-N 0 0 310.357 2.411 10 30 DEEERN C=CCCCN(C)C(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC000417464635 527187929 /nfs/dbraw/zinc/18/79/29/527187929.db2.gz QWBHRLZBXRLUFB-OAHLLOKOSA-N 0 0 303.362 2.341 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1cccc(Br)c1C ZINC000190225187 527193895 /nfs/dbraw/zinc/19/38/95/527193895.db2.gz GSKXXTSPEMQOJN-GFCCVEGCSA-N 0 0 312.207 2.353 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@@H](CC)Oc1cccc(C)c1 ZINC000183660315 527196334 /nfs/dbraw/zinc/19/63/34/527196334.db2.gz NUSWJCVECGFQCE-HUUCEWRRSA-N 0 0 306.406 2.389 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000248643701 527201261 /nfs/dbraw/zinc/20/12/61/527201261.db2.gz RVAHEHJUXKXXKG-QLFBSQMISA-N 0 0 310.438 2.351 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cnn(C)c1-c1ccccc1 ZINC000353117197 527204374 /nfs/dbraw/zinc/20/43/74/527204374.db2.gz PJLBEFSIEIGFPF-CYBMUJFWSA-N 0 0 300.362 2.146 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cccc(OCc2cscn2)c1 ZINC000337050512 527208241 /nfs/dbraw/zinc/20/82/41/527208241.db2.gz JFHRDWCGKIGYAP-CYBMUJFWSA-N 0 0 318.398 2.389 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1csc(-c2ncccc2F)n1 ZINC000337054604 527208838 /nfs/dbraw/zinc/20/88/38/527208838.db2.gz UGWPTSMHKNTVLJ-SECBINFHSA-N 0 0 307.350 2.011 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000413840778 527214904 /nfs/dbraw/zinc/21/49/04/527214904.db2.gz VZLOHAFUKHCUPQ-GDBMZVCRSA-N 0 0 315.417 2.046 10 30 DEEERN C=CCCCNC(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000447949890 527220587 /nfs/dbraw/zinc/22/05/87/527220587.db2.gz CLEBRQDCNOIGGB-UHFFFAOYSA-N 0 0 307.369 2.211 10 30 DEEERN C=CCCCNC(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000447999209 527223260 /nfs/dbraw/zinc/22/32/60/527223260.db2.gz JEBMDIRTYQEKEK-UHFFFAOYSA-N 0 0 323.418 2.096 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000443942481 527227845 /nfs/dbraw/zinc/22/78/45/527227845.db2.gz CHIDJWNOFLRLSO-CQSZACIVSA-N 0 0 320.414 2.164 10 30 DEEERN CC(=O)c1ccc(C#N)cc1NC[C@@H](C)N1CCOC[C@H]1C ZINC000302105417 527232472 /nfs/dbraw/zinc/23/24/72/527232472.db2.gz NIDLVZIZPGNOBC-CHWSQXEVSA-N 0 0 301.390 2.282 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N1CCO[C@H](C2CC2)C1 ZINC000337893339 527280080 /nfs/dbraw/zinc/28/00/80/527280080.db2.gz BMCFMBRLYPMBMZ-AWEZNQCLSA-N 0 0 300.362 2.339 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H](COC)c1ccccc1 ZINC000357958703 527282377 /nfs/dbraw/zinc/28/23/77/527282377.db2.gz KRURTBWFMKWTIA-HOCLYGCPSA-N 0 0 318.417 2.351 10 30 DEEERN C=CCn1cc(CNC(=O)N[C@@H](C)c2ccccc2OC)nn1 ZINC000425384120 527369100 /nfs/dbraw/zinc/36/91/00/527369100.db2.gz MTNHNONRHJSVSA-LBPRGKRZSA-N 0 0 315.377 2.033 10 30 DEEERN C=C[C@@H](C)NC(=O)C(=O)N1CCc2c1cccc2Br ZINC000421197036 527394627 /nfs/dbraw/zinc/39/46/27/527394627.db2.gz AMOIGKHQMIRQLH-SECBINFHSA-N 0 0 323.190 2.029 10 30 DEEERN C=C[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000345275958 527401743 /nfs/dbraw/zinc/40/17/43/527401743.db2.gz WOSMEWFBWDYNTD-GHMZBOCLSA-N 0 0 321.343 2.051 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CCC[C@H](c3nc(C)no3)C2)cc1 ZINC000296598056 527435184 /nfs/dbraw/zinc/43/51/84/527435184.db2.gz HAFCOTIMCGKHNG-INIZCTEOSA-N 0 0 324.384 2.449 10 30 DEEERN C=CCC[C@H](C(=O)N1CCN2CCOC[C@@H]2C1)c1ccccc1 ZINC000375280699 527462660 /nfs/dbraw/zinc/46/26/60/527462660.db2.gz XNMZQJGOMOYXDR-ROUUACIJSA-N 0 0 314.429 2.279 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)ccc1C ZINC000425788626 527491149 /nfs/dbraw/zinc/49/11/49/527491149.db2.gz USKIJJCIPQRDOU-FZMZJTMJSA-N 0 0 322.792 2.294 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccccc1CCC ZINC000425787304 527491880 /nfs/dbraw/zinc/49/18/80/527491880.db2.gz RGYGQJNERNSXJF-HOCLYGCPSA-N 0 0 316.401 2.285 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)COc1ccc(OC)c(C)c1 ZINC000424934342 527492952 /nfs/dbraw/zinc/49/29/52/527492952.db2.gz UWQMOFVHSMKYBY-ZFWWWQNUSA-N 0 0 305.374 2.090 10 30 DEEERN C=CCCc1ccccc1NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000337581807 527505980 /nfs/dbraw/zinc/50/59/80/527505980.db2.gz CHRSXIQEJNUDQP-ZDUSSCGKSA-N 0 0 322.430 2.456 10 30 DEEERN C=CCN(C1CC1)S(=O)(=O)c1ccccc1Cn1ccnc1 ZINC000443048025 527579915 /nfs/dbraw/zinc/57/99/15/527579915.db2.gz VUMOEMBTCCOGOS-UHFFFAOYSA-N 0 0 317.414 2.271 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N[C@H](C)c1c(F)cccc1OC ZINC000358984824 527602437 /nfs/dbraw/zinc/60/24/37/527602437.db2.gz OZWRGHCXDHRJMY-GFCCVEGCSA-N 0 0 320.364 2.212 10 30 DEEERN CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000408333422 527643243 /nfs/dbraw/zinc/64/32/43/527643243.db2.gz DYHILDATLHTPFY-FRRDWIJNSA-N 0 0 323.462 2.133 10 30 DEEERN CCCC(=O)NC[C@H]1CCCN(c2ccc(C)c(C#N)n2)C1 ZINC000302666077 527934815 /nfs/dbraw/zinc/93/48/15/527934815.db2.gz QDHIAYFKBQSCIM-CQSZACIVSA-N 0 0 300.406 2.394 10 30 DEEERN CCOc1ccc(C#N)cc1NC(=O)NCC1(CCO)CC1 ZINC000188732002 528378615 /nfs/dbraw/zinc/37/86/15/528378615.db2.gz KTAYZBIVPHZYSF-UHFFFAOYSA-N 0 0 303.362 2.241 10 30 DEEERN CCOc1ccc(C(=O)N[C@]2(C#N)CC2(C)C)cc1[N+](=O)[O-] ZINC000362183351 528407046 /nfs/dbraw/zinc/40/70/46/528407046.db2.gz GCWSAUSGCSHLML-HNNXBMFYSA-N 0 0 303.318 2.416 10 30 DEEERN CC(C)C[C@](C)(C#N)NC(=O)CN1CCc2ccccc2C1=O ZINC000447445474 528610280 /nfs/dbraw/zinc/61/02/80/528610280.db2.gz BULZEKLGKPKUAT-GOSISDBHSA-N 0 0 313.401 2.129 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)CSc1nc(C2CC2)cc(=O)[nH]1 ZINC000195078903 528698639 /nfs/dbraw/zinc/69/86/39/528698639.db2.gz CQVRELPQUBOFCX-SNVBAGLBSA-N 0 0 320.418 2.160 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)[C@@H](C)OCC3CC3)C2)n1 ZINC000328612349 528747223 /nfs/dbraw/zinc/74/72/23/528747223.db2.gz OMBWTTONRFKLBM-BXUZGUMPSA-N 0 0 320.393 2.080 10 30 DEEERN CCN([C@H]1CCOC1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000336840758 535405081 /nfs/dbraw/zinc/40/50/81/535405081.db2.gz QQLQQBPEXHQPTF-NSHDSACASA-N 0 0 314.794 2.011 10 30 DEEERN CC[C@@]1(C)CN([C@H]2CCN(c3sccc3C#N)C2=O)CCO1 ZINC000248898276 536060314 /nfs/dbraw/zinc/06/03/14/536060314.db2.gz GXKJVEAMPOXSMZ-BBRMVZONSA-N 0 0 319.430 2.226 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(F)c(C#N)c1 ZINC000248871298 536552646 /nfs/dbraw/zinc/55/26/46/536552646.db2.gz VBIDZNBVWFOZJK-BJJXKVORSA-N 0 0 302.349 2.471 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@@]1(CC)OCCc2ccccc21 ZINC000292168269 538120116 /nfs/dbraw/zinc/12/01/16/538120116.db2.gz ZVNQPYZTBLNRKF-MAUKXSAKSA-N 0 0 318.417 2.101 10 30 DEEERN Cc1nn(C)c(C)c1CCNC(=O)/C=C\c1ccccc1C#N ZINC000255582837 625305825 /nfs/dbraw/zinc/30/58/25/625305825.db2.gz CKLPNDPJBNXEKK-HJWRWDBZSA-N 0 0 308.385 2.281 10 30 DEEERN Cc1c(C(=O)OCC2(C#N)CCOCC2)cccc1[N+](=O)[O-] ZINC000183962829 625322545 /nfs/dbraw/zinc/32/25/45/625322545.db2.gz NKMBJPUJCDYRNT-UHFFFAOYSA-N 0 0 304.302 2.380 10 30 DEEERN C#CC[C@@H](OC(=O)CC1(CS(C)(=O)=O)CC1)C(C)(C)C ZINC000159835374 625375944 /nfs/dbraw/zinc/37/59/44/625375944.db2.gz SZSVEESEFCVQSA-GFCCVEGCSA-N 0 0 300.420 2.183 10 30 DEEERN C#CCN(CC#C)C(=O)[C@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1 ZINC000175714292 622602278 /nfs/dbraw/zinc/60/22/78/622602278.db2.gz KOGGBALELKYEGF-KRWDZBQOSA-N 0 0 322.408 2.060 10 30 DEEERN C=C[C@H](C)OC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000187529670 622822456 /nfs/dbraw/zinc/82/24/56/622822456.db2.gz CWQPWBTUTMNKGC-MLRMMBSGSA-N 0 0 301.346 2.436 10 30 DEEERN C=C[C@](C)(O)CC(=O)NCc1cc(Br)ccc1O ZINC000804735644 623212457 /nfs/dbraw/zinc/21/24/57/623212457.db2.gz CEOSRBKLXDYHPY-ZDUSSCGKSA-N 0 0 314.179 2.098 10 30 DEEERN C=CCCO[C@@H](C)C(=O)O[C@@H](CNC(C)=O)c1ccccc1 ZINC000177981843 624117486 /nfs/dbraw/zinc/11/74/86/624117486.db2.gz QEYLXZOZEGLYAE-BBRMVZONSA-N 0 0 305.374 2.388 10 30 DEEERN CN(C)c1ncccc1CNC(=O)/C=C\c1ccccc1C#N ZINC000255376958 624499486 /nfs/dbraw/zinc/49/94/86/624499486.db2.gz GVUUGVXTNMXBKY-KTKRTIGZSA-N 0 0 306.369 2.349 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cccc(F)c2Cl)CCN1C1CC1 ZINC000742665321 624646932 /nfs/dbraw/zinc/64/69/32/624646932.db2.gz MQIGUZXIXRTMMI-LLVKDONJSA-N 0 0 307.756 2.291 10 30 DEEERN C#CC[C@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(C)C ZINC000177723443 625072850 /nfs/dbraw/zinc/07/28/50/625072850.db2.gz WAIHEDNDJMTVCJ-ZFWWWQNUSA-N 0 0 303.358 2.219 10 30 DEEERN C#CCNc1ncnc2cccc(I)c21 ZINC000308885216 625117417 /nfs/dbraw/zinc/11/74/17/625117417.db2.gz SLPDAZDUQIAXPS-UHFFFAOYSA-N 0 0 309.110 2.280 10 30 DEEERN CN(C)c1ncccc1CNC(=O)/C=C/c1ccccc1C#N ZINC000046591426 625135662 /nfs/dbraw/zinc/13/56/62/625135662.db2.gz GVUUGVXTNMXBKY-MDZDMXLPSA-N 0 0 306.369 2.349 10 30 DEEERN N#CC(C(=O)N1CCCC1)=C(O)C=Cc1ccnc(Cl)c1 ZINC000181247990 625253728 /nfs/dbraw/zinc/25/37/28/625253728.db2.gz KQJHRKQQFNOIQF-PCAWENJQSA-N 0 0 303.749 2.079 10 30 DEEERN C#CCCNC(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1 ZINC000733656402 633260227 /nfs/dbraw/zinc/26/02/27/633260227.db2.gz KPTKOMLBADUHSY-AWEZNQCLSA-N 0 0 315.373 2.199 10 30 DEEERN C=C(COC(=O)[C@H](C)Oc1ccc(OC)cc1)C(=O)OCC ZINC000734026337 633312014 /nfs/dbraw/zinc/31/20/14/633312014.db2.gz KZFLRUNMHYYLEO-LBPRGKRZSA-N 0 0 308.330 2.125 10 30 DEEERN C=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC000734025042 633317972 /nfs/dbraw/zinc/31/79/72/633317972.db2.gz YBTSJBKFILZCEV-RMKNXTFCSA-N 0 0 305.286 2.271 10 30 DEEERN N#C[C@H](C(=O)Cc1ccc(OC(F)F)cc1)C(=O)N1CCCC1 ZINC000124748283 633414023 /nfs/dbraw/zinc/41/40/23/633414023.db2.gz KWCDUWJBDILYSX-CYBMUJFWSA-N 0 0 322.311 2.162 10 30 DEEERN Cc1noc([C@@H](C)OC(=O)[C@@H](C)Oc2ccccc2C#N)n1 ZINC000073507476 634101571 /nfs/dbraw/zinc/10/15/71/634101571.db2.gz TWXWUAFBRGOQAQ-NXEZZACHSA-N 0 0 301.302 2.321 10 30 DEEERN C#Cc1cccc(NC(=S)N2CCC(C(=O)N(C)C)CC2)c1 ZINC000726444024 636433810 /nfs/dbraw/zinc/43/38/10/636433810.db2.gz LISONIPQGCNQQR-UHFFFAOYSA-N 0 0 315.442 2.165 10 30 DEEERN C=CCNC(=O)[C@@H](C)OC(=O)c1cnc(-c2ccncc2)s1 ZINC000741746699 638008626 /nfs/dbraw/zinc/00/86/26/638008626.db2.gz WNRLLWWHANQXQI-SNVBAGLBSA-N 0 0 317.370 2.053 10 30 DEEERN CC[S@@](=O)CCNc1c(C#N)cnc2c(C)cc(C)cc21 ZINC000742406239 638069064 /nfs/dbraw/zinc/06/90/64/638069064.db2.gz HYFWXNNPXKLFJV-OAQYLSRUSA-N 0 0 301.415 2.326 10 30 DEEERN COc1ccc(CNC(=O)NCCc2ccccn2)cc1C#N ZINC000746534175 638353351 /nfs/dbraw/zinc/35/33/51/638353351.db2.gz QMVIPZAIUDXNGQ-UHFFFAOYSA-N 0 0 310.357 2.004 10 30 DEEERN COc1ccc(CNS(=O)(=O)c2cccc(C)c2)cc1C#N ZINC000746680841 638369490 /nfs/dbraw/zinc/36/94/90/638369490.db2.gz RHFGELLRPNOFTH-UHFFFAOYSA-N 0 0 316.382 2.354 10 30 DEEERN CCc1cc(CNC(=O)NCc2ccc(OC)c(C#N)c2)on1 ZINC000746731544 638373570 /nfs/dbraw/zinc/37/35/70/638373570.db2.gz RSFWAEJRJGORQJ-UHFFFAOYSA-N 0 0 314.345 2.117 10 30 DEEERN COc1ccc(CNC(=O)[C@@H]2COc3ccccc32)cc1C#N ZINC000746860444 638381936 /nfs/dbraw/zinc/38/19/36/638381936.db2.gz YMICIBPFRVIDSR-OAHLLOKOSA-N 0 0 308.337 2.359 10 30 DEEERN COc1ccc(CNC(=O)CCc2c(C)noc2C)cc1C#N ZINC000746872295 638384035 /nfs/dbraw/zinc/38/40/35/638384035.db2.gz KCINTEDZHBWPQI-UHFFFAOYSA-N 0 0 313.357 2.421 10 30 DEEERN CCN(CCC#N)CN1C(=O)NC2(CCC(C(C)C)CC2)C1=O ZINC000727819260 638397456 /nfs/dbraw/zinc/39/74/56/638397456.db2.gz ZECIUAXBINGTFZ-UHFFFAOYSA-N 0 0 320.437 2.316 10 30 DEEERN C=CCNC(=O)COC(=O)/C=C(\CC)c1ccc(OC)cc1 ZINC000747134003 638410953 /nfs/dbraw/zinc/41/09/53/638410953.db2.gz JQXFCHTZQMQIQX-ACCUITESSA-N 0 0 303.358 2.334 10 30 DEEERN C=C(C)[C@@H]1CC=C(COC(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC000747175948 638415626 /nfs/dbraw/zinc/41/56/26/638415626.db2.gz GPMQQNGYJMOAPX-CVEARBPZSA-N 0 0 321.417 2.327 10 30 DEEERN COc1ccc(CNC(=O)Nc2c(C)noc2C)cc1C#N ZINC000747273875 638425477 /nfs/dbraw/zinc/42/54/77/638425477.db2.gz DCHKQBJYRIVHMB-UHFFFAOYSA-N 0 0 300.318 2.493 10 30 DEEERN C=CCOc1ccc(OS(=O)(=O)c2cn(CC)cn2)cc1 ZINC000747283052 638426941 /nfs/dbraw/zinc/42/69/41/638426941.db2.gz YSBUWAZWXZYOKH-UHFFFAOYSA-N 0 0 308.359 2.236 10 30 DEEERN CC(N=Nc1nc2[nH][nH]cc-2c(=O)n1)[C@@H](C)C1CCCCC1 ZINC000747631641 638456622 /nfs/dbraw/zinc/45/66/22/638456622.db2.gz RPCXCPFZBWWKCI-SECBINFHSA-N 0 0 302.382 2.436 10 30 DEEERN COC(=O)/C(C)=C\COC(=O)CSc1ccc(C#N)cc1 ZINC000748188135 638524780 /nfs/dbraw/zinc/52/47/80/638524780.db2.gz YQWGGOUGLDKAFC-XFFZJAGNSA-N 0 0 305.355 2.313 10 30 DEEERN C#Cc1ccc(C(=O)NCc2cc(=O)[nH]c3ccccc23)cn1 ZINC000748331615 638542373 /nfs/dbraw/zinc/54/23/73/638542373.db2.gz RJWCEPCYZICDEB-UHFFFAOYSA-N 0 0 303.321 2.247 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](C)Cn1cccn1 ZINC000804969705 638629763 /nfs/dbraw/zinc/62/97/63/638629763.db2.gz MWJFKJNMXRWZSZ-SJLPKXTDSA-N 0 0 324.428 2.453 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](C)Cn1cccn1 ZINC000804969698 638630219 /nfs/dbraw/zinc/63/02/19/638630219.db2.gz MWJFKJNMXRWZSZ-AEFFLSMTSA-N 0 0 324.428 2.453 10 30 DEEERN CON(C)C(=O)c1ccc(NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000749377046 638640506 /nfs/dbraw/zinc/64/05/06/638640506.db2.gz VODYAHMOVJMHGU-UHFFFAOYSA-N 0 0 323.352 2.373 10 30 DEEERN C[C@@H](OC(=O)Cc1cccc(C#N)c1)C(=O)NC1CCCC1 ZINC000750431493 638744067 /nfs/dbraw/zinc/74/40/67/638744067.db2.gz WFNQDUQWXTWUPT-GFCCVEGCSA-N 0 0 300.358 2.091 10 30 DEEERN C#CCCNC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000750613889 639007800 /nfs/dbraw/zinc/00/78/00/639007800.db2.gz HGZVYDCQRGFTQJ-HXUWFJFHSA-N 0 0 304.293 2.459 10 30 DEEERN C=CCOc1cccnc1C(=O)OCc1nnc(CC)s1 ZINC000751573649 639095280 /nfs/dbraw/zinc/09/52/80/639095280.db2.gz CFSSVMKOPYFVRY-UHFFFAOYSA-N 0 0 305.359 2.417 10 30 DEEERN C=C(Br)CNC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000751790512 639121269 /nfs/dbraw/zinc/12/12/69/639121269.db2.gz QAECJXISKCBGOO-UHFFFAOYSA-N 0 0 313.199 2.207 10 30 DEEERN C=C(COC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])C(=O)OCC ZINC000752556115 639196905 /nfs/dbraw/zinc/19/69/05/639196905.db2.gz XRXOVNPVWXADIQ-UHFFFAOYSA-N 0 0 311.265 2.318 10 30 DEEERN C#CCCCS(=O)(=O)N1C[C@@H](C)Oc2ccc(OC)cc21 ZINC000805017177 639203024 /nfs/dbraw/zinc/20/30/24/639203024.db2.gz CGGBLPNXSGVFES-GFCCVEGCSA-N 0 0 309.387 2.026 10 30 DEEERN C#CCCNC(=O)Nc1ccc(-n2nnnc2C(C)C)c(C)c1 ZINC000752990641 639245641 /nfs/dbraw/zinc/24/56/41/639245641.db2.gz SOLRGQMJKKWHAO-UHFFFAOYSA-N 0 0 312.377 2.239 10 30 DEEERN C#CCCCS(=O)(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000805027735 639246699 /nfs/dbraw/zinc/24/66/99/639246699.db2.gz QJSATXSTALMWML-UHFFFAOYSA-N 0 0 304.415 2.352 10 30 DEEERN N#Cc1cc(S(=O)(=O)NC[C@H]2CC2(Cl)Cl)ccc1F ZINC000728579655 639262173 /nfs/dbraw/zinc/26/21/73/639262173.db2.gz LQCZJUFPDQPYAJ-MRVPVSSYSA-N 0 0 323.176 2.169 10 30 DEEERN C#Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cn1 ZINC000728799548 639402542 /nfs/dbraw/zinc/40/25/42/639402542.db2.gz ZPXLAEXMGGDUPC-UHFFFAOYSA-N 0 0 307.353 2.152 10 30 DEEERN C#Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cn1 ZINC000728805165 639414027 /nfs/dbraw/zinc/41/40/27/639414027.db2.gz RKIBRCHHKGDKFW-ZDUSSCGKSA-N 0 0 317.352 2.135 10 30 DEEERN C#Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)nc1 ZINC000728809363 639429478 /nfs/dbraw/zinc/42/94/78/639429478.db2.gz JUSKRUSLNKSCNS-HUUCEWRRSA-N 0 0 316.426 2.190 10 30 DEEERN CC(C)C1CCC2(CC1)NC(=O)N(CN(C)[C@H](C)CC#N)C2=O ZINC000728902194 639630161 /nfs/dbraw/zinc/63/01/61/639630161.db2.gz KPSZKOOJBJJHIQ-TUBUQKNSSA-N 0 0 320.437 2.315 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@]1(C)CCOC1 ZINC000805110612 639753702 /nfs/dbraw/zinc/75/37/02/639753702.db2.gz BCDKTTYSFZSFKS-SJLPKXTDSA-N 0 0 300.402 2.347 10 30 DEEERN C=CCOCC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000729338849 640487744 /nfs/dbraw/zinc/48/77/44/640487744.db2.gz ZFJHHPWBQSEGGB-UHFFFAOYSA-N 0 0 302.374 2.022 10 30 DEEERN C[C@@H]1OCC[C@H]1SCCS(=O)(=O)c1cccc(C#N)c1 ZINC000163469330 640640006 /nfs/dbraw/zinc/64/00/06/640640006.db2.gz IPXKJZPTBRDGNE-SMDDNHRTSA-N 0 0 311.428 2.243 10 30 DEEERN CC(C)[C@@H](OC(=O)/C=C/c1ccccc1C#N)C(=O)N(C)C ZINC000729703178 640830756 /nfs/dbraw/zinc/83/07/56/640830756.db2.gz HNXZNGSZQOPULN-ZNFPLGDCSA-N 0 0 300.358 2.227 10 30 DEEERN N#CCc1ccc(C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)cc1 ZINC000899084417 641920462 /nfs/dbraw/zinc/92/04/62/641920462.db2.gz ZGFGMSHWKWMYEK-MRXNPFEDSA-N 0 0 321.384 2.309 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ncccc1O ZINC000805781990 643249145 /nfs/dbraw/zinc/24/91/45/643249145.db2.gz FTJNBXLVPYYADK-HNNXBMFYSA-N 0 0 309.369 2.221 10 30 DEEERN C#C[C@H](C)OC(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000805886552 643716634 /nfs/dbraw/zinc/71/66/34/643716634.db2.gz DAKWGFHWIFUOLS-KKUMJFAQSA-N 0 0 301.386 2.474 10 30 DEEERN C#CCOc1cccc(Cl)c1CN1CC(=O)N(C)[C@@H](C)C1 ZINC000800538104 645286097 /nfs/dbraw/zinc/28/60/97/645286097.db2.gz JXMHIBRTMQVJJZ-LBPRGKRZSA-N 0 0 306.793 2.015 10 30 DEEERN C=CCCc1ccccc1NC(=O)NC[C@@H](O)c1cnn(C)c1 ZINC000800576486 645289567 /nfs/dbraw/zinc/28/95/67/645289567.db2.gz MPEDTDGCEHFXJR-MRXNPFEDSA-N 0 0 314.389 2.394 10 30 DEEERN C=CCCOCC(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000801129818 645344170 /nfs/dbraw/zinc/34/41/70/645344170.db2.gz GNVZHNYUAFADDK-GOSISDBHSA-N 0 0 303.402 2.132 10 30 DEEERN CCOC(=O)c1cn(CCO[C@@H](C)C#N)nc1C(F)(F)F ZINC000801657081 645427847 /nfs/dbraw/zinc/42/78/47/645427847.db2.gz GJHYJGVPGVNUPW-QMMMGPOBSA-N 0 0 305.256 2.007 10 30 DEEERN C#CCC[C@@H](O)CNC(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000801857312 645452399 /nfs/dbraw/zinc/45/23/99/645452399.db2.gz YCLLWOKFNWWNRG-SNVBAGLBSA-N 0 0 315.295 2.305 10 30 DEEERN CC[C@@H](CC#N)OC(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000802218521 645500913 /nfs/dbraw/zinc/50/09/13/645500913.db2.gz DOSIRSJTEQGBOC-JTQLQIEISA-N 0 0 305.334 2.281 10 30 DEEERN C#CCCCCCC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000802240516 645507229 /nfs/dbraw/zinc/50/72/29/645507229.db2.gz SRJMJELUNRNMOO-DOTOQJQBSA-N 0 0 307.434 2.254 10 30 DEEERN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCO[C@H](C(F)F)C1 ZINC000802308037 645515675 /nfs/dbraw/zinc/51/56/75/645515675.db2.gz SSNCCTFNVLCDKU-KGLIPLIRSA-N 0 0 321.327 2.221 10 30 DEEERN C#CCn1c(-c2cnn(C)n2)csc1=Nc1ccsc1 ZINC000803207731 645616032 /nfs/dbraw/zinc/61/60/32/645616032.db2.gz GIORRYURDWMKQK-UHFFFAOYSA-N 0 0 301.400 2.272 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cnc2nccnc2c1 ZINC000803525147 645668413 /nfs/dbraw/zinc/66/84/13/645668413.db2.gz HJAFXLSWSWBYRH-INIZCTEOSA-N 0 0 316.364 2.389 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)Nc1cc(C)ccc1OC ZINC000803697959 645681190 /nfs/dbraw/zinc/68/11/90/645681190.db2.gz YONIBSWCYXAFFO-UHFFFAOYSA-N 0 0 313.353 2.148 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C(=O)OC)c1ccc(F)cc1 ZINC000803699313 645681737 /nfs/dbraw/zinc/68/17/37/645681737.db2.gz YSMRIKSKUABJNB-OAHLLOKOSA-N 0 0 302.301 2.246 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1csc(N(C)C2CC2)n1 ZINC000803698931 645681785 /nfs/dbraw/zinc/68/17/85/645681785.db2.gz JCARHBPOKHQFCA-UHFFFAOYSA-N 0 0 302.399 2.448 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000803699357 645681812 /nfs/dbraw/zinc/68/18/12/645681812.db2.gz AGXISLHBAXETHO-HNNXBMFYSA-N 0 0 311.381 2.412 10 30 DEEERN C=CCN1CC[C@H](OC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)C1=O ZINC000803737954 645688972 /nfs/dbraw/zinc/68/89/72/645688972.db2.gz QVISMCKVGDONII-AXFHLTTASA-N 0 0 305.296 2.295 10 30 DEEERN C=CCOc1ccc(CN2C(=O)N[C@]3(CCSC3)C2=O)cc1 ZINC000348626443 645751741 /nfs/dbraw/zinc/75/17/41/645751741.db2.gz RORFEEFBDOULBL-INIZCTEOSA-N 0 0 318.398 2.179 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cccc2n[nH]nc21 ZINC000804451959 645773290 /nfs/dbraw/zinc/77/32/90/645773290.db2.gz BECPQNJQQRQSLU-CQSZACIVSA-N 0 0 304.353 2.322 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cn2cccnc2n1 ZINC000804459920 645775142 /nfs/dbraw/zinc/77/51/42/645775142.db2.gz RNTYIMGDUQUXQT-OAHLLOKOSA-N 0 0 304.353 2.094 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@@H]1CCCc2cn(C(C)C)nc21 ZINC000806299443 645815550 /nfs/dbraw/zinc/81/55/50/645815550.db2.gz CGTBMXIEEFTJDL-CQSZACIVSA-N 0 0 318.421 2.040 10 30 DEEERN C#Cc1cncc(C(=O)Nc2ccccc2CC(=O)OCC)c1 ZINC000806856006 645879804 /nfs/dbraw/zinc/87/98/04/645879804.db2.gz BWVGPOGUSAYHBQ-UHFFFAOYSA-N 0 0 308.337 2.421 10 30 DEEERN C=CC1CCN(C(=O)C(=O)Nc2cccc(C(C)(C)O)c2)CC1 ZINC000806891961 645883789 /nfs/dbraw/zinc/88/37/89/645883789.db2.gz GFOQBJGKWFTOCF-UHFFFAOYSA-N 0 0 316.401 2.277 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](Cn1cccn1)c1ccccc1 ZINC000806913169 645888236 /nfs/dbraw/zinc/88/82/36/645888236.db2.gz RKFYHEKOPLOXSO-SFHVURJKSA-N 0 0 305.381 2.403 10 30 DEEERN COc1ccc(CNS(=O)(=O)c2ccccc2)cc1C#N ZINC000746675037 645893631 /nfs/dbraw/zinc/89/36/31/645893631.db2.gz RYTYEGVBHMNTQD-UHFFFAOYSA-N 0 0 302.355 2.045 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)c1 ZINC000806995926 645898098 /nfs/dbraw/zinc/89/80/98/645898098.db2.gz QOQNNYPDRYKJMF-UHFFFAOYSA-N 0 0 322.364 2.473 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000807196099 645922256 /nfs/dbraw/zinc/92/22/56/645922256.db2.gz IVKKCFPEWCNERD-UHFFFAOYSA-N 0 0 316.445 2.145 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@](OC)(C(F)(F)F)C1 ZINC000807322803 645939290 /nfs/dbraw/zinc/93/92/90/645939290.db2.gz KZAVVNHCRQRWJA-CQSZACIVSA-N 0 0 301.308 2.219 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]([C@@H](C)O)C1 ZINC000807471137 645955700 /nfs/dbraw/zinc/95/57/00/645955700.db2.gz YPOOFTOXMNZQFH-KBAYOESNSA-N 0 0 314.429 2.423 10 30 DEEERN N#Cc1ccc(OCCNC(=O)C[C@H]2CSCCS2)cc1 ZINC000156329314 646412206 /nfs/dbraw/zinc/41/22/06/646412206.db2.gz VOYKZUSOQKEABN-AWEZNQCLSA-N 0 0 322.455 2.292 10 30 DEEERN CCCCCCNC(=O)[C@H](C#N)C(=O)[C@@H](C)C1CCOCC1 ZINC000165406786 646497244 /nfs/dbraw/zinc/49/72/44/646497244.db2.gz AJQKHDWTNBAHRM-DZGCQCFKSA-N 0 0 308.422 2.454 10 30 DEEERN C[C@H](C(=O)[C@@H](C#N)c1nnc2n1CCCCC2)C1CCOCC1 ZINC000165670955 646504088 /nfs/dbraw/zinc/50/40/88/646504088.db2.gz CMKBCLAPMYMQLN-GXTWGEPZSA-N 0 0 316.405 2.243 10 30 DEEERN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCc1ccoc1 ZINC000170721875 646661331 /nfs/dbraw/zinc/66/13/31/646661331.db2.gz QWBFJFQCKWNWGL-UHFFFAOYSA-N 0 0 324.340 2.487 10 30 DEEERN CC(=O)N1CSC[C@H]1C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000171029562 646682365 /nfs/dbraw/zinc/68/23/65/646682365.db2.gz FJOXVZMHJXROQA-HNNXBMFYSA-N 0 0 317.414 2.163 10 30 DEEERN C#CCN(CC#C)S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000173261400 646764159 /nfs/dbraw/zinc/76/41/59/646764159.db2.gz JKKOHODTSSNBAY-UHFFFAOYSA-N 0 0 316.209 2.392 10 30 DEEERN C#CCN(CC#C)C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000174523646 646813083 /nfs/dbraw/zinc/81/30/83/646813083.db2.gz DGMYYZRBDMXJNW-RHSMWYFYSA-N 0 0 305.805 2.347 10 30 DEEERN C=CCN(CC(=O)OCC)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000152439323 647164263 /nfs/dbraw/zinc/16/42/63/647164263.db2.gz QGADOIDXNKYLKR-UHFFFAOYSA-N 0 0 319.361 2.498 10 30 DEEERN Cc1cccc(NC(=S)N2CCN(C3CC3)[C@H](C#N)C2)c1 ZINC000732625656 647633146 /nfs/dbraw/zinc/63/31/46/647633146.db2.gz LTKJIQBPBKSHQJ-OAHLLOKOSA-N 0 0 300.431 2.364 10 30 DEEERN Cc1ccc2c(c1)[C@@H](NC(=O)N1CCN(C3CC3)[C@H](C#N)C1)CC2 ZINC000732677755 647638361 /nfs/dbraw/zinc/63/83/61/647638361.db2.gz XLIKNHBPXXQQMN-AEFFLSMTSA-N 0 0 324.428 2.364 10 30 DEEERN N#C[C@H]1CN(C(=O)NCc2cc3ccccc3[nH]2)CCN1C1CC1 ZINC000732700614 647643456 /nfs/dbraw/zinc/64/34/56/647643456.db2.gz JVVVWTXZYPUUGI-INIZCTEOSA-N 0 0 323.400 2.050 10 30 DEEERN N#C[C@@H]1CN(C(=O)Nc2cccc(F)c2F)CCN1C1CC1 ZINC000732699035 647643530 /nfs/dbraw/zinc/64/35/30/647643530.db2.gz UKTYJGUAJLASRJ-LLVKDONJSA-N 0 0 306.316 2.169 10 30 DEEERN COC(=O)N[C@H](CC(C)C)C(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000068335905 648446037 /nfs/dbraw/zinc/44/60/37/648446037.db2.gz USXLDWGRMVPRQL-GHMZBOCLSA-N 0 0 309.391 2.399 10 30 DEEERN C=CCC[C@@H](C)OC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000180163816 648467544 /nfs/dbraw/zinc/46/75/44/648467544.db2.gz KOCLSKPQWVVDRZ-GFCCVEGCSA-N 0 0 308.378 2.139 10 30 DEEERN C=C[C@@H](CC)OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000181226571 648586947 /nfs/dbraw/zinc/58/69/47/648586947.db2.gz SFEPPZNPZLTPQV-LBPRGKRZSA-N 0 0 308.378 2.091 10 30 DEEERN Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2)c(=O)[nH]1 ZINC000069776534 648757621 /nfs/dbraw/zinc/75/76/21/648757621.db2.gz LMAYWFUGSTZMMH-ZDUSSCGKSA-N 0 0 301.733 2.331 10 30 DEEERN N#CC1(COC(=O)c2ccc3c(c2)CCC(=O)N3)CCOCC1 ZINC000183921474 649201736 /nfs/dbraw/zinc/20/17/36/649201736.db2.gz SOORDTRMEOMHSV-UHFFFAOYSA-N 0 0 314.341 2.048 10 30 DEEERN C#C[C@@H](C)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000185300436 649491182 /nfs/dbraw/zinc/49/11/82/649491182.db2.gz QMDDZWJOONROPE-GFCCVEGCSA-N 0 0 302.374 2.463 10 30 DEEERN C#CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000733287359 649534569 /nfs/dbraw/zinc/53/45/69/649534569.db2.gz DLACDCDUJCTTIT-GOSISDBHSA-N 0 0 320.392 2.167 10 30 DEEERN C#CCN(CC#C)CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC000072906345 649537956 /nfs/dbraw/zinc/53/79/56/649537956.db2.gz NGGPPDVLDIJUSR-HNNXBMFYSA-N 0 0 300.377 2.304 10 30 DEEERN C#CCCNC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000733367137 649555277 /nfs/dbraw/zinc/55/52/77/649555277.db2.gz RJOBDILYLZAIJO-UHFFFAOYSA-N 0 0 322.364 2.348 10 30 DEEERN C#CCOc1ccccc1OC(=O)CCOC[C@H]1CCCO1 ZINC000107190937 651423612 /nfs/dbraw/zinc/42/36/12/651423612.db2.gz PQQQROFBDANNMC-CQSZACIVSA-N 0 0 304.342 2.190 10 30 DEEERN C#CCOc1ccccc1OC(=O)c1cnn2ccc(C)nc12 ZINC000107416610 651442440 /nfs/dbraw/zinc/44/24/40/651442440.db2.gz HLVNFKFHUVWCOM-UHFFFAOYSA-N 0 0 307.309 2.269 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000081730065 683993640 /nfs/dbraw/zinc/99/36/40/683993640.db2.gz FZGCVXCYLJNFNX-CQSZACIVSA-N 0 0 303.749 2.014 10 30 DEEERN CC[C@H](C#N)OC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000084714004 684006052 /nfs/dbraw/zinc/00/60/52/684006052.db2.gz RHEAEMCKEDSECF-UKRRQHHQSA-N 0 0 304.346 2.108 10 30 DEEERN CC#CCOC(=O)CSc1nncn1-c1ccc(C)cc1 ZINC000091112474 684035056 /nfs/dbraw/zinc/03/50/56/684035056.db2.gz TYVWPQWRCJTVPY-UHFFFAOYSA-N 0 0 301.371 2.234 10 30 DEEERN N#C[C@@H](C(=O)CCCc1ccc(F)c(F)c1)C(=O)NC1CC1 ZINC000120051929 684091180 /nfs/dbraw/zinc/09/11/80/684091180.db2.gz STEDNXLYECORNR-LBPRGKRZSA-N 0 0 306.312 2.275 10 30 DEEERN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C#N ZINC000125736705 684147973 /nfs/dbraw/zinc/14/79/73/684147973.db2.gz LTEYBCUKPXJTJF-GUTXKFCHSA-N 0 0 317.389 2.356 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000129506903 684179783 /nfs/dbraw/zinc/17/97/83/684179783.db2.gz JGSJCPZSDTVYEW-CQSZACIVSA-N 0 0 304.309 2.223 10 30 DEEERN C#CCSCCNS(=O)(=O)c1c(F)cccc1Cl ZINC000132829502 684213509 /nfs/dbraw/zinc/21/35/09/684213509.db2.gz RPRXEAYFPNJQJU-UHFFFAOYSA-N 0 0 307.799 2.124 10 30 DEEERN C=CC(=O)Nc1cc(NC(=O)c2ccc(C#N)nc2)ccc1F ZINC000136591785 684240596 /nfs/dbraw/zinc/24/05/96/684240596.db2.gz NBIDDWDLCZUTCE-UHFFFAOYSA-N 0 0 310.288 2.469 10 30 DEEERN C=CCC[C@H](OC(=O)Cn1nnc2ccccc2c1=O)C1CC1 ZINC000159586293 684316678 /nfs/dbraw/zinc/31/66/78/684316678.db2.gz XBNMQGQGMPDAEL-HNNXBMFYSA-N 0 0 313.357 2.080 10 30 DEEERN C#CCCN1CCN(Cc2nnc(-c3cc(C)oc3C)o2)CC1 ZINC000162487716 684330070 /nfs/dbraw/zinc/33/00/70/684330070.db2.gz ACBDCLKDNYQFKA-UHFFFAOYSA-N 0 0 314.389 2.087 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000188601610 684358550 /nfs/dbraw/zinc/35/85/50/684358550.db2.gz HFNYXMQCOTZCED-UHFFFAOYSA-N 0 0 316.357 2.368 10 30 DEEERN C#CCOc1ccccc1OC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC000194577723 685070420 /nfs/dbraw/zinc/07/04/20/685070420.db2.gz BBQMJSUNXSCROG-LLVKDONJSA-N 0 0 315.291 2.487 10 30 DEEERN C=CCS(=O)(=O)N1CCC[C@H](c2nc3ccccc3n2C)C1 ZINC000222381777 685106871 /nfs/dbraw/zinc/10/68/71/685106871.db2.gz NAAUTNABQXWHHM-ZDUSSCGKSA-N 0 0 319.430 2.269 10 30 DEEERN COc1cccc([C@@H]2C[C@@H]2C(=O)[C@H](C#N)C(=O)NC(C)C)c1 ZINC000246390823 685129231 /nfs/dbraw/zinc/12/92/31/685129231.db2.gz VQPSXFAQDAQQMK-KKUMJFAQSA-N 0 0 300.358 2.032 10 30 DEEERN C#CCOc1cccc(NC(=O)NC[C@@H](O)Cc2ccccc2)c1 ZINC000304023345 685244016 /nfs/dbraw/zinc/24/40/16/685244016.db2.gz YQZJRBNJCMOYQO-KRWDZBQOSA-N 0 0 324.380 2.424 10 30 DEEERN N#Cc1ccccc1/C=C\C(=O)N1CCN[C@@H](c2ccncc2)C1 ZINC000886041115 691990554 /nfs/dbraw/zinc/99/05/54/691990554.db2.gz VEQGOLYCLMNVTK-OOFWQKGWSA-N 0 0 318.380 2.140 10 30 DEEERN CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2cocn2)cc1 ZINC000588561442 777418425 /nfs/dbraw/zinc/41/84/25/777418425.db2.gz RKDQHCKEJBTKEL-FPLPWBNLSA-N 0 0 306.343 2.332 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=S)N[C@H](C)COC ZINC000745018715 784656382 /nfs/dbraw/zinc/65/63/82/784656382.db2.gz DSEOJBBTMLCSLS-GFCCVEGCSA-N 0 0 323.418 2.492 10 30 DEEERN N#Cc1cc(S(=O)(=O)NCC[C@H]2CCCS2)ccc1F ZINC000715970992 792529474 /nfs/dbraw/zinc/52/94/74/792529474.db2.gz XZXHFFOYVPJPDQ-LLVKDONJSA-N 0 0 314.407 2.261 10 30 DEEERN Cc1cc(C(=O)N2CCOC[C@@H]2C#N)sc1Br ZINC000081790625 1081142203 /nfs/dbraw/zinc/14/22/03/1081142203.db2.gz LJWNRKMYZSJWPC-QMMMGPOBSA-N 0 0 315.192 2.184 10 30 DEEERN C[C@H]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1 ZINC000720472205 1085134166 /nfs/dbraw/zinc/13/41/66/1085134166.db2.gz BLWALDHHOMFJOT-JTQLQIEISA-N 0 0 314.794 2.011 10 30 DEEERN C#CCCNC(=O)COc1ccc(Br)cc1F ZINC000700627410 1086322881 /nfs/dbraw/zinc/32/28/81/1086322881.db2.gz TYWIKWGFLRJZMK-UHFFFAOYSA-N 0 0 300.127 2.107 10 30 DEEERN C=CCCSCCNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720031483 1089426178 /nfs/dbraw/zinc/42/61/78/1089426178.db2.gz JDSIKNBSQQOBOD-UHFFFAOYSA-N 0 0 314.407 2.285 10 30 DEEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(F)cc1C#N ZINC000177930760 282098963 /nfs/dbraw/zinc/09/89/63/282098963.db2.gz QFMJPRAWMHSTOF-ZDUSSCGKSA-N 0 0 314.324 2.254 10 30 DEEERN C=CCn1c(C2CCCC2)nnc1N1CCO[C@](C)(COC)C1 ZINC000624833689 365565369 /nfs/dbraw/zinc/56/53/69/365565369.db2.gz NUNNVGFFJIQDDD-KRWDZBQOSA-N 0 0 320.437 2.363 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000612320619 361792755 /nfs/dbraw/zinc/79/27/55/361792755.db2.gz UQUGESXIVHYXDJ-CABCVRRESA-N 0 0 322.430 2.119 10 30 DEEERN C=CC[C@@H](C)NS(=O)(=O)C[C@@H](Cc1ccc(F)cc1)OC ZINC000624973524 365603345 /nfs/dbraw/zinc/60/33/45/365603345.db2.gz HAWZMJYECWAVNC-IUODEOHRSA-N 0 0 315.410 2.267 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000612426892 361824135 /nfs/dbraw/zinc/82/41/35/361824135.db2.gz RRRDGRAFCCXJMY-FZKCQIBNSA-N 0 0 322.449 2.311 10 30 DEEERN C=CCN(CC(=O)Nc1ccccc1Br)C(C)=O ZINC000096775334 185387221 /nfs/dbraw/zinc/38/72/21/185387221.db2.gz COBQRKXBJSCVBN-UHFFFAOYSA-N 0 0 311.179 2.422 10 30 DEEERN N#Cc1cccnc1N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000302738606 230827452 /nfs/dbraw/zinc/82/74/52/230827452.db2.gz QENCEDXHPMAZAZ-OAHLLOKOSA-N 0 0 310.332 2.305 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1nc(C(C)C)cs1 ZINC000612491791 361841593 /nfs/dbraw/zinc/84/15/93/361841593.db2.gz AXVYPEGRTPTISG-LBPRGKRZSA-N 0 0 309.435 2.354 10 30 DEEERN C[C@@H]1N(C(=O)CNc2ccc(C#N)cc2)CCC12CCOCC2 ZINC000612573525 361864564 /nfs/dbraw/zinc/86/45/64/361864564.db2.gz LHIFDXHNJAXYGL-AWEZNQCLSA-N 0 0 313.401 2.388 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000612601289 361870787 /nfs/dbraw/zinc/87/07/87/361870787.db2.gz OYNHWXHREJQVCM-JKSUJKDBSA-N 0 0 322.449 2.455 10 30 DEEERN N#Cc1cccc(C(=O)N2CCC(=O)N(c3ccccc3)CC2)c1 ZINC000082357854 185177743 /nfs/dbraw/zinc/17/77/43/185177743.db2.gz MYOCGSLZJLCVFV-UHFFFAOYSA-N 0 0 319.364 2.437 10 30 DEEERN CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1ccccc1C#CCO ZINC000088310842 185245133 /nfs/dbraw/zinc/24/51/33/185245133.db2.gz OJUNQRYTLMZKTH-KGLIPLIRSA-N 0 0 309.431 2.133 10 30 DEEERN C#Cc1cccc(NC(=O)N[C@H]2CCCn3nc(CC)nc32)c1 ZINC000088350599 185246592 /nfs/dbraw/zinc/24/65/92/185246592.db2.gz UEOJXAXKEZHOLT-AWEZNQCLSA-N 0 0 309.373 2.478 10 30 DEEERN Cc1c(C#CCO)cccc1C(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000088443534 185250928 /nfs/dbraw/zinc/25/09/28/185250928.db2.gz SPKMMJOKWVZXJU-CHWSQXEVSA-N 0 0 303.427 2.305 10 30 DEEERN N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1C=CS(=O)(=O)C1 ZINC000088856888 185266999 /nfs/dbraw/zinc/26/69/99/185266999.db2.gz AOJZOFAQIDZWFK-SNVBAGLBSA-N 0 0 302.277 2.300 10 30 DEEERN C=C(CC)CNS(=O)(=O)C[C@@H](OC)c1ccc(F)cc1 ZINC000625249464 365697417 /nfs/dbraw/zinc/69/74/17/365697417.db2.gz ZOLFGDLBHFPILX-CQSZACIVSA-N 0 0 301.383 2.399 10 30 DEEERN N#CCCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000613133517 362013513 /nfs/dbraw/zinc/01/35/13/362013513.db2.gz UYQWBHWURDFCTN-KFWWJZLASA-N 0 0 313.405 2.034 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cn(CCCC)nc1C ZINC000613244518 362054722 /nfs/dbraw/zinc/05/47/22/362054722.db2.gz ZQSOXJOWZSNQAR-MRXNPFEDSA-N 0 0 320.437 2.079 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)Cc1ccnc(OC)c1 ZINC000613330552 362082745 /nfs/dbraw/zinc/08/27/45/362082745.db2.gz QLUSWZBTUDXZBJ-UHFFFAOYSA-N 0 0 300.358 2.483 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000625328104 365731153 /nfs/dbraw/zinc/73/11/53/365731153.db2.gz PZNKNFLOAGYCDY-UHFFFAOYSA-N 0 0 310.375 2.414 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCCC[C@H](CCOC)C1 ZINC000613577168 362151179 /nfs/dbraw/zinc/15/11/79/362151179.db2.gz ODPNFNSBRQQAFO-HZPDHXFCSA-N 0 0 310.438 2.123 10 30 DEEERN CCc1nc(C(C)(C)NC(=O)NCc2cccc(C#N)c2)no1 ZINC000442178421 529712424 /nfs/dbraw/zinc/71/24/24/529712424.db2.gz WBNAHPYBYZRYCA-UHFFFAOYSA-N 0 0 313.361 2.238 10 30 DEEERN CCn1cnc(S(=O)(=O)NC2(C#N)CCCCCCC2)c1 ZINC000092910109 185348448 /nfs/dbraw/zinc/34/84/48/185348448.db2.gz SYJVBRXBRQWRBK-UHFFFAOYSA-N 0 0 310.423 2.188 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC000625355943 365745527 /nfs/dbraw/zinc/74/55/27/365745527.db2.gz WZGCFWLFIAIXKA-VIFPVBQESA-N 0 0 323.340 2.026 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000614368983 362362595 /nfs/dbraw/zinc/36/25/95/362362595.db2.gz MOKQPBIDVWTSPJ-DFBGVHRSSA-N 0 0 322.355 2.408 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1CCC(F)(F)CC1 ZINC000614487977 362395753 /nfs/dbraw/zinc/39/57/53/362395753.db2.gz JKNLZBIDBJWTPI-CYBMUJFWSA-N 0 0 302.365 2.399 10 30 DEEERN CC(=O)c1cccc(NC(=O)CC2(C#N)CCOCC2)c1O ZINC000614861364 362477046 /nfs/dbraw/zinc/47/70/46/362477046.db2.gz NCRMPOVVQVSPLV-UHFFFAOYSA-N 0 0 302.330 2.244 10 30 DEEERN CN1CCN(C(=O)NC[C@@H]2CCCCC(F)(F)C2)C[C@@H]1C#N ZINC000330197918 530065975 /nfs/dbraw/zinc/06/59/75/530065975.db2.gz SLYQDSHXRYEUFU-OLZOCXBDSA-N 0 0 314.380 2.256 10 30 DEEERN N#C[C@@]1(F)CCN(C(=O)NC2CCN(c3ccccc3)CC2)C1 ZINC000615578639 362644759 /nfs/dbraw/zinc/64/47/59/362644759.db2.gz FZZFBEBLNWMLKX-KRWDZBQOSA-N 0 0 316.380 2.303 10 30 DEEERN Cn1ccnc1[C@@H](NC(=O)c1ccc(C#N)cc1)C1CCOCC1 ZINC000286790601 219168334 /nfs/dbraw/zinc/16/83/34/219168334.db2.gz JUSJWFDQBAFPJR-INIZCTEOSA-N 0 0 324.384 2.189 10 30 DEEERN CCC[C@@H](C#N)N1CCN(c2ncc(Br)cn2)CC1 ZINC000111750895 185633149 /nfs/dbraw/zinc/63/31/49/185633149.db2.gz WGFMZRPHQQCAEH-LBPRGKRZSA-N 0 0 324.226 2.053 10 30 DEEERN C=CCCn1cc(C(=O)N2CCC[C@@H]2C(=O)c2ccccc2)nn1 ZINC000615914758 362731888 /nfs/dbraw/zinc/73/18/88/362731888.db2.gz NKYTZRIUUIZLNS-MRXNPFEDSA-N 0 0 324.384 2.342 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000615979783 362743355 /nfs/dbraw/zinc/74/33/55/362743355.db2.gz ZBAPWLXCNMCELS-BBWFWOEESA-N 0 0 316.401 2.138 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(CC)CCc1nccs1 ZINC000625546156 365824441 /nfs/dbraw/zinc/82/44/41/365824441.db2.gz OTABBRSHWCUVSK-UHFFFAOYSA-N 0 0 323.462 2.253 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCSC2(CCC2)CC1 ZINC000616255647 362809193 /nfs/dbraw/zinc/80/91/93/362809193.db2.gz HNJNOISORXCIPP-AWEZNQCLSA-N 0 0 310.463 2.346 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1cccc(C(=O)N[C@H](C)CC)c1 ZINC000277546026 213608083 /nfs/dbraw/zinc/60/80/83/213608083.db2.gz VSNXIMBDAZMANS-OAHLLOKOSA-N 0 0 324.424 2.494 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C#N)cc1Cl ZINC000126531903 185871707 /nfs/dbraw/zinc/87/17/07/185871707.db2.gz DZNSQCRJNLGVQM-LLVKDONJSA-N 0 0 309.778 2.278 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000277448944 213532838 /nfs/dbraw/zinc/53/28/38/213532838.db2.gz OBVZMTIQKMEKAN-UHFFFAOYSA-N 0 0 305.381 2.210 10 30 DEEERN CS(=O)(=O)N1CCc2ccccc2[C@@H]1c1ccccc1C#N ZINC000616691047 362911198 /nfs/dbraw/zinc/91/11/98/362911198.db2.gz CSINSEGHFQHISH-QGZVFWFLSA-N 0 0 312.394 2.465 10 30 DEEERN Cc1ccc(C(=O)NCc2ccc(C#CCO)s2)cc1O ZINC000071322192 190958176 /nfs/dbraw/zinc/95/81/76/190958176.db2.gz CTKTXUXRIGMBAN-UHFFFAOYSA-N 0 0 301.367 2.036 10 30 DEEERN CCOC(=O)CS(=O)(=O)[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N ZINC000084253178 192417207 /nfs/dbraw/zinc/41/72/07/192417207.db2.gz YPNYTFHHIKRRPU-AGIUHOORSA-N 0 0 315.435 2.319 10 30 DEEERN C[C@H](C(=O)Nc1ccccc1C#N)S(=O)(=O)C1CCCC1 ZINC000084254968 192417583 /nfs/dbraw/zinc/41/75/83/192417583.db2.gz BFHJBXDQNQNIIF-LLVKDONJSA-N 0 0 306.387 2.243 10 30 DEEERN CCC[C@H]1CC[C@@H](C#N)[C@H](S(=O)(=O)CC(=O)OCC)C1 ZINC000084253242 192417748 /nfs/dbraw/zinc/41/77/48/192417748.db2.gz IMNFTMKSXKWEHS-RWMBFGLXSA-N 0 0 301.408 2.073 10 30 DEEERN C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@H](C)O1 ZINC000356516367 290879869 /nfs/dbraw/zinc/87/98/69/290879869.db2.gz VEVJZPRYDYLSLE-UWVGGRQHSA-N 0 0 314.794 2.010 10 30 DEEERN C=CCS(=O)(=O)[C@H](C)C(=O)Nc1ccccc1OCCC ZINC000071530868 190988751 /nfs/dbraw/zinc/98/87/51/190988751.db2.gz WHMAXVPPHVALSR-GFCCVEGCSA-N 0 0 311.403 2.403 10 30 DEEERN Cc1nn(C)c(C)c1CN1C(=O)c2ccc(N(C)C)cc2[C@@H]1C#N ZINC000071679187 191005921 /nfs/dbraw/zinc/00/59/21/191005921.db2.gz RNYNEHGRNWIMPU-KRWDZBQOSA-N 0 0 323.400 2.324 10 30 DEEERN Cc1cc(C(=O)N2CCS[C@H](C)[C@@H]2C)sc1C#CCO ZINC000133643265 186002711 /nfs/dbraw/zinc/00/27/11/186002711.db2.gz JCGUQADFUWHHBL-NWDGAFQWSA-N 0 0 309.456 2.366 10 30 DEEERN N#CCC[C@@H](NC(=O)N[C@H]1CCCn2ncnc21)c1ccccc1 ZINC000133722534 186009974 /nfs/dbraw/zinc/00/99/74/186009974.db2.gz ZBTNRIPTNADWGW-CABCVRRESA-N 0 0 324.388 2.457 10 30 DEEERN CN[C@@H](C#N)CCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000138347475 186016543 /nfs/dbraw/zinc/01/65/43/186016543.db2.gz TWCSDMRFJXDOCB-SECBINFHSA-N 0 0 303.240 2.494 10 30 DEEERN CC[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ncc[nH]1 ZINC000139682649 186022811 /nfs/dbraw/zinc/02/28/11/186022811.db2.gz YIEIBKOYEFXJGV-LLVKDONJSA-N 0 0 324.793 2.364 10 30 DEEERN CC[C@@H](NC(=O)c1cc(C)c(C#CCO)s1)c1ncc[nH]1 ZINC000141595705 186030462 /nfs/dbraw/zinc/03/04/62/186030462.db2.gz BMTNKPVDRRXSHT-LLVKDONJSA-N 0 0 303.387 2.005 10 30 DEEERN COc1cccc(C(=O)NCc2sccc2C#CCO)c1 ZINC000148540948 186044881 /nfs/dbraw/zinc/04/48/81/186044881.db2.gz MESALZXMQMUVLH-UHFFFAOYSA-N 0 0 301.367 2.031 10 30 DEEERN CC(C)(C#N)CCOc1ccc(Cl)cc1S(N)(=O)=O ZINC000147272749 186039147 /nfs/dbraw/zinc/03/91/47/186039147.db2.gz GCDXTHCYHPUUBB-UHFFFAOYSA-N 0 0 302.783 2.306 10 30 DEEERN C[C@H]1CCC[C@H](C)N1NC(=O)c1sccc1C#CCCO ZINC000149855825 186052870 /nfs/dbraw/zinc/05/28/70/186052870.db2.gz ABQFRSUNKCIDBW-STQMWFEESA-N 0 0 306.431 2.390 10 30 DEEERN N#Cc1ccc(Cl)c(Nc2ccc(N)cc2S(N)(=O)=O)c1 ZINC000148492417 186045298 /nfs/dbraw/zinc/04/52/98/186045298.db2.gz KNDMRZKMMMLTRK-UHFFFAOYSA-N 0 0 322.777 2.185 10 30 DEEERN O=C(NC[C@@H]1CCCS1)c1ccc(C#CCCO)cc1F ZINC000155935837 186124071 /nfs/dbraw/zinc/12/40/71/186124071.db2.gz OASHYNMTQZSNIH-ZDUSSCGKSA-N 0 0 307.390 2.185 10 30 DEEERN C=C(Br)CN1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159614835 186130595 /nfs/dbraw/zinc/13/05/95/186130595.db2.gz BAFLUHPBXPGIKZ-RYUDHWBXSA-N 0 0 316.195 2.313 10 30 DEEERN C=CCNC(=O)N1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000080612207 192173345 /nfs/dbraw/zinc/17/33/45/192173345.db2.gz RHLKILRAAZGVFO-NSHDSACASA-N 0 0 321.343 2.005 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)NC)nc1 ZINC000617040682 363006830 /nfs/dbraw/zinc/00/68/30/363006830.db2.gz XNWPXHGIUFRZEZ-GXTWGEPZSA-N 0 0 301.390 2.306 10 30 DEEERN N#C[C@H](NC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C1CC1 ZINC000171722168 197973846 /nfs/dbraw/zinc/97/38/46/197973846.db2.gz MFWVDTJKJOOQGB-NSHDSACASA-N 0 0 319.748 2.056 10 30 DEEERN C=CCOc1ccccc1C(=O)NC[C@@H](OC)[C@@H]1CCOC1 ZINC000617148334 363037579 /nfs/dbraw/zinc/03/75/79/363037579.db2.gz PZIWVLZFBRKTTB-CZUORRHYSA-N 0 0 305.374 2.033 10 30 DEEERN C=CCn1cc(C(=O)N[C@H](C)Cc2ccc(F)cc2C)nn1 ZINC000617317968 363089987 /nfs/dbraw/zinc/08/99/87/363089987.db2.gz CNMXIUZGFHGWQJ-GFCCVEGCSA-N 0 0 302.353 2.273 10 30 DEEERN C=C(CSc1nc2nc(C)c(C)c(C)n2n1)C(=O)OCC ZINC000172294874 198072787 /nfs/dbraw/zinc/07/27/87/198072787.db2.gz ZPWXFAQYUYNIAP-UHFFFAOYSA-N 0 0 306.391 2.261 10 30 DEEERN C=C(CSc1nc2ccccc2c(=O)n1C)C(=O)OCC ZINC000172293055 198073083 /nfs/dbraw/zinc/07/30/83/198073083.db2.gz ZNVZBYLWWWTJOF-UHFFFAOYSA-N 0 0 304.371 2.145 10 30 DEEERN CC[C@@H]1COCCN1C(=O)NC[C@@H]1CCCn2cc(C)nc21 ZINC000328721208 539910080 /nfs/dbraw/zinc/91/00/80/539910080.db2.gz RACHYHBOCHSWKV-UONOGXRCSA-N 0 0 306.410 2.094 10 30 DEEERN C=CCN(C(=O)CCc1nc(C(C)(C)C)no1)[C@H](C)COC ZINC000617577357 363193920 /nfs/dbraw/zinc/19/39/20/363193920.db2.gz NHQBXEMEXALRGV-GFCCVEGCSA-N 0 0 309.410 2.349 10 30 DEEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CCSCC1)C2 ZINC000329055895 539913959 /nfs/dbraw/zinc/91/39/59/539913959.db2.gz ICYSHCMSYUUUQJ-GFCCVEGCSA-N 0 0 322.478 2.458 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc2oc(=O)[nH]c2cc1F ZINC000617591362 363198472 /nfs/dbraw/zinc/19/84/72/363198472.db2.gz GEBYMDALUMNIBT-LBPRGKRZSA-N 0 0 321.308 2.082 10 30 DEEERN COC(=O)c1ccc(/C=N/n2c(C)nc3ccccc3c2=O)cc1 ZINC000003347091 181009759 /nfs/dbraw/zinc/00/97/59/181009759.db2.gz IEFYPSRDIYWQBS-YBFXNURJSA-N 0 0 321.336 2.374 10 30 DEEERN C=C(C)CN(CC)C(=O)CNc1ccccc1C(=O)NC1CC1 ZINC000025614313 354075275 /nfs/dbraw/zinc/07/52/75/354075275.db2.gz NLIGXAQARFZIBY-UHFFFAOYSA-N 0 0 315.417 2.415 10 30 DEEERN N#Cc1cccc(CC(=O)NCCOCC(F)(F)C(F)F)c1 ZINC000617989128 363339855 /nfs/dbraw/zinc/33/98/55/363339855.db2.gz XBCZMSLHAJUOMK-UHFFFAOYSA-N 0 0 318.270 2.134 10 30 DEEERN N#Cc1ccc(CNC(=O)c2ccc(-n3cncn3)cc2)cc1 ZINC000046875021 354294259 /nfs/dbraw/zinc/29/42/59/354294259.db2.gz YMWKWCQHSDRWAI-UHFFFAOYSA-N 0 0 303.325 2.069 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2ccnc(C(=O)N(C)C)c2)C1 ZINC000626393061 366172290 /nfs/dbraw/zinc/17/22/90/366172290.db2.gz QUUSKQHFEBQYBF-LBPRGKRZSA-N 0 0 302.378 2.213 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)Nc1ccc2c(c1)CCN(C)C2=O ZINC000618088674 363372550 /nfs/dbraw/zinc/37/25/50/363372550.db2.gz QQFGDGPICCCCRZ-GOSISDBHSA-N 0 0 316.401 2.482 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(C)n(C[C@@H]2CCCOC2)c1C ZINC000626448509 366189836 /nfs/dbraw/zinc/18/98/36/366189836.db2.gz BYEOCOJPCPMXKB-HOTGVXAUSA-N 0 0 320.433 2.198 10 30 DEEERN N/C(=N\O)Nc1cc(Br)ccc1Br ZINC000052834398 354414355 /nfs/dbraw/zinc/41/43/55/354414355.db2.gz FAERRBSZYTZELH-UHFFFAOYSA-N 0 0 308.961 2.327 10 30 DEEERN N#Cc1ccnc(NC(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000618138080 363391982 /nfs/dbraw/zinc/39/19/82/363391982.db2.gz YJCVQPSLNUZSQX-UHFFFAOYSA-N 0 0 306.325 2.480 10 30 DEEERN C[C@@H](c1nc(C2CC2)no1)N1CCN(c2ncccc2C#N)CC1 ZINC000076479527 355150762 /nfs/dbraw/zinc/15/07/62/355150762.db2.gz NQPZDIIMZBEVCJ-LBPRGKRZSA-N 0 0 324.388 2.097 10 30 DEEERN C=CCCCN(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000076487615 355151867 /nfs/dbraw/zinc/15/18/67/355151867.db2.gz WMGVPITVEHOTRL-UHFFFAOYSA-N 0 0 306.318 2.404 10 30 DEEERN CN1c2ccc(CC(=O)Nc3ccccc3C#N)cc2CC1=O ZINC000074961502 191396515 /nfs/dbraw/zinc/39/65/15/191396515.db2.gz VEOKHVCXVANAOB-UHFFFAOYSA-N 0 0 305.337 2.258 10 30 DEEERN CC(C)CC(C)N=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000005020064 181191844 /nfs/dbraw/zinc/19/18/44/181191844.db2.gz GYMROSFEACVKDZ-NTEUORMPSA-N 0 0 314.367 2.076 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161339707 355968699 /nfs/dbraw/zinc/96/86/99/355968699.db2.gz SFEYLUMEUHDQBB-LBPRGKRZSA-N 0 0 317.418 2.052 10 30 DEEERN CC#CCNC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000179366178 356023364 /nfs/dbraw/zinc/02/33/64/356023364.db2.gz JGMKVIZPRARRKA-UHFFFAOYSA-N 0 0 302.374 2.464 10 30 DEEERN N#CC1(c2ccc(C(=O)N[C@@H]3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000181535033 356084661 /nfs/dbraw/zinc/08/46/61/356084661.db2.gz CMKHFWGHKRRQQL-DZGCQCFKSA-N 0 0 311.385 2.016 10 30 DEEERN CN(Cc1ccc(C#N)cc1)C(=O)c1ccc2nnn(C)c2c1 ZINC000182574937 356132520 /nfs/dbraw/zinc/13/25/20/356132520.db2.gz KDBBJVKRPRYJMZ-UHFFFAOYSA-N 0 0 305.341 2.112 10 30 DEEERN COC(=O)C1(NC(=O)c2ccc(C3(C#N)CC3)cc2)CCCC1 ZINC000182689476 356139548 /nfs/dbraw/zinc/13/95/48/356139548.db2.gz MSAICIGFPSEINR-UHFFFAOYSA-N 0 0 312.369 2.457 10 30 DEEERN C[C@H](C#N)CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000182742484 356143758 /nfs/dbraw/zinc/14/37/58/356143758.db2.gz YZVROUDAEFRCJW-WKPIXPDZSA-N 0 0 322.359 2.169 10 30 DEEERN CCc1ccc(CN2CCN(C(=O)NC[C@@H](C)C#N)CC2)s1 ZINC000182777827 356145750 /nfs/dbraw/zinc/14/57/50/356145750.db2.gz PXDUKXRJSABLMF-ZDUSSCGKSA-N 0 0 320.462 2.297 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000187768093 356214011 /nfs/dbraw/zinc/21/40/11/356214011.db2.gz OESHMCJDSQRAMN-QGZVFWFLSA-N 0 0 305.374 2.318 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](C(F)(F)F)C1 ZINC000193701456 356228867 /nfs/dbraw/zinc/22/88/67/356228867.db2.gz NDSXXEHAJCQJEO-NEPJUHHUSA-N 0 0 305.344 2.269 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000184033891 356183872 /nfs/dbraw/zinc/18/38/72/356183872.db2.gz LDXNYOOPZHVDLQ-JTQLQIEISA-N 0 0 319.283 2.081 10 30 DEEERN COCCOc1ccc(C#N)cc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000184434399 356191042 /nfs/dbraw/zinc/19/10/42/356191042.db2.gz FLTBZAPBPGMIGV-XHDPSFHLSA-N 0 0 304.346 2.089 10 30 DEEERN CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc(C#N)cn2C)c1 ZINC000080999959 192211106 /nfs/dbraw/zinc/21/11/06/192211106.db2.gz ARLWSXWYCRTLPM-NSHDSACASA-N 0 0 310.357 2.346 10 30 DEEERN CC#CC(=O)Nc1cccc(F)c1I ZINC000300973384 356391321 /nfs/dbraw/zinc/39/13/21/356391321.db2.gz QCWQDISDDJYIBU-UHFFFAOYSA-N 0 0 303.074 2.392 10 30 DEEERN N#Cc1ccc(F)c(CN2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000408043689 283165750 /nfs/dbraw/zinc/16/57/50/283165750.db2.gz LABIZOYSCGIWPE-JQHSSLGASA-N 0 0 318.392 2.449 10 30 DEEERN CCN1CCN(C(=O)Nc2cncc(C)c2)C[C@@H]1c1ncc[nH]1 ZINC000328622493 356462031 /nfs/dbraw/zinc/46/20/31/356462031.db2.gz IKNUNNISUILLHZ-CQSZACIVSA-N 0 0 314.393 2.037 10 30 DEEERN C=CCOCCCNC(=O)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000618514881 363512722 /nfs/dbraw/zinc/51/27/22/363512722.db2.gz QLIKLEMDNKENHI-UHFFFAOYSA-N 0 0 320.780 2.243 10 30 DEEERN C=CCOCCCNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000618514120 363512768 /nfs/dbraw/zinc/51/27/68/363512768.db2.gz IUHNBCHJBACZPW-UHFFFAOYSA-N 0 0 305.374 2.099 10 30 DEEERN C=CCOCCCNC(=O)C(=O)c1ccc(OC)c(Cl)c1 ZINC000618525419 363515902 /nfs/dbraw/zinc/51/59/02/363515902.db2.gz BALFWYCUQJODTB-UHFFFAOYSA-N 0 0 311.765 2.240 10 30 DEEERN C=CCOCCCNC(=O)c1ccnc(OCC(F)F)c1 ZINC000618526882 363517787 /nfs/dbraw/zinc/51/77/87/363517787.db2.gz YXYGKTDODUAKAJ-UHFFFAOYSA-N 0 0 300.305 2.048 10 30 DEEERN C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2N)C[C@@H]1C ZINC000085918574 192539872 /nfs/dbraw/zinc/53/98/72/192539872.db2.gz NHNNQWXVDKXZAE-GVXVVHGQSA-N 0 0 307.419 2.243 10 30 DEEERN C=CCC1(c2nc(-c3n[nH]c(C4CC4)n3)no2)CCOCC1 ZINC000351317834 356652921 /nfs/dbraw/zinc/65/29/21/356652921.db2.gz XKSAUWJREPBGFA-UHFFFAOYSA-N 0 0 301.350 2.356 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)NCCOCC(=O)OCC ZINC000595646332 358511263 /nfs/dbraw/zinc/51/12/63/358511263.db2.gz LNNADBVCLDDRNH-UONOGXRCSA-N 0 0 312.410 2.000 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc2c1CCN2 ZINC000626843393 366343727 /nfs/dbraw/zinc/34/37/27/366343727.db2.gz NJLHWYYIIZZZOQ-UHFFFAOYSA-N 0 0 301.390 2.312 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)c2oc(C(F)F)cc2C)C1=O ZINC000626848928 366344729 /nfs/dbraw/zinc/34/47/29/366344729.db2.gz JQLUOCFZORJSLP-SNVBAGLBSA-N 0 0 312.316 2.385 10 30 DEEERN CC(C)(C)OC(=O)N1[C@@H](c2ccc(C#N)cc2)COS1(=O)=O ZINC000584643579 357290594 /nfs/dbraw/zinc/29/05/94/357290594.db2.gz JBSDUZGVSBXOSF-GFCCVEGCSA-N 0 0 324.358 2.111 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000581826677 357251607 /nfs/dbraw/zinc/25/16/07/357251607.db2.gz LPZWKJRHDLFMEV-DCGLDWPTSA-N 0 0 311.422 2.140 10 30 DEEERN N#Cc1nc(N2CCC[C@@]3(CNC(=O)C3)C2)ccc1C(F)(F)F ZINC000407957486 283249075 /nfs/dbraw/zinc/24/90/75/283249075.db2.gz LZRFVEPYFBZVRE-CQSZACIVSA-N 0 0 324.306 2.079 10 30 DEEERN CC(C)[C@H](C)NC(=O)C1CCN(c2cc(C#N)ccn2)CC1 ZINC000587622588 357381828 /nfs/dbraw/zinc/38/18/28/357381828.db2.gz SMVUXGPNECLTSK-ZDUSSCGKSA-N 0 0 300.406 2.330 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3C3CC3)cc2C1=O ZINC000590720796 357591949 /nfs/dbraw/zinc/59/19/49/357591949.db2.gz PLMRYWPUKCWRPS-INIZCTEOSA-N 0 0 324.380 2.483 10 30 DEEERN CN(C)C(=O)C[C@@]1(O)CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000591617674 357744397 /nfs/dbraw/zinc/74/43/97/357744397.db2.gz HMZJHOROYUQJCA-INIZCTEOSA-N 0 0 321.808 2.021 10 30 DEEERN C=CCn1cc(CNc2ccc(C(=O)OC(C)(C)C)cn2)nn1 ZINC000591951579 357805223 /nfs/dbraw/zinc/80/52/23/357805223.db2.gz YIZXCDCAQOBRMW-UHFFFAOYSA-N 0 0 315.377 2.427 10 30 DEEERN COC(=O)CCCS(=O)(=O)Cc1ccc(C#N)cc1Cl ZINC000593209538 358034504 /nfs/dbraw/zinc/03/45/04/358034504.db2.gz BDMIMYFWOWARBN-UHFFFAOYSA-N 0 0 315.778 2.080 10 30 DEEERN C=CC[C@H](CO)CNC(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000593580511 358106176 /nfs/dbraw/zinc/10/61/76/358106176.db2.gz LIUQTUSGOBAJHX-MELADBBJSA-N 0 0 311.422 2.045 10 30 DEEERN C=C(C)CS(=O)(=O)NC1(CC(=O)OC(C)(C)C)CCC1 ZINC000593634348 358115581 /nfs/dbraw/zinc/11/55/81/358115581.db2.gz ZPJCHXQSQDJPRE-UHFFFAOYSA-N 0 0 303.424 2.136 10 30 DEEERN CCN([C@@H]1CCOC1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000336840757 535403778 /nfs/dbraw/zinc/40/37/78/535403778.db2.gz QQLQQBPEXHQPTF-LLVKDONJSA-N 0 0 314.794 2.011 10 30 DEEERN C=CCCn1cc(C[S@](=O)Cc2cccc(OC)c2)nn1 ZINC000593937147 358174932 /nfs/dbraw/zinc/17/49/32/358174932.db2.gz NZNHUQRCFRJYCM-OAQYLSRUSA-N 0 0 305.403 2.312 10 30 DEEERN C=CCCn1cc(C[S@](=O)Cc2nc(CCCC)no2)nn1 ZINC000593936774 358174978 /nfs/dbraw/zinc/17/49/78/358174978.db2.gz GZDVIPPQGYZYGJ-QFIPXVFZSA-N 0 0 323.422 2.029 10 30 DEEERN C=CCCn1cc(CNC2(C(=O)OC)CCC(CC)CC2)nn1 ZINC000593966043 358179979 /nfs/dbraw/zinc/17/99/79/358179979.db2.gz LUKQBZZFDCVNKS-UHFFFAOYSA-N 0 0 320.437 2.456 10 30 DEEERN C=CCCS(=O)(=O)N[C@@H](C(=O)OCC)C1CCCCCC1 ZINC000594482809 358281304 /nfs/dbraw/zinc/28/13/04/358281304.db2.gz ZELCKYJVCIEQRT-CQSZACIVSA-N 0 0 317.451 2.384 10 30 DEEERN CCN1CC[C@@H](Nc2ccc(Br)c(C#N)c2)C1=O ZINC000594704487 358322165 /nfs/dbraw/zinc/32/21/65/358322165.db2.gz JPPFBHZXMZNBAJ-GFCCVEGCSA-N 0 0 308.179 2.353 10 30 DEEERN CC(=O)N(c1nc(CN2CC[C@@](C)(C#N)C2)cs1)C1CC1 ZINC000595838420 358560483 /nfs/dbraw/zinc/56/04/83/358560483.db2.gz BSXVXXMZYBIZMV-HNNXBMFYSA-N 0 0 304.419 2.394 10 30 DEEERN C=CCCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000595719215 358532292 /nfs/dbraw/zinc/53/22/92/358532292.db2.gz PRCVFNXIIXNAEJ-UHFFFAOYSA-N 0 0 302.334 2.494 10 30 DEEERN C=CCOCCCNC(=O)Nc1ccc(C(=O)OC)c(C)c1 ZINC000596726095 358747137 /nfs/dbraw/zinc/74/71/37/358747137.db2.gz RJZRZWMJLOZUQM-UHFFFAOYSA-N 0 0 306.362 2.496 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000596641994 358731143 /nfs/dbraw/zinc/73/11/43/358731143.db2.gz RTMQSJVXCAPZHG-OAHLLOKOSA-N 0 0 318.373 2.191 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@@H](CC(=O)OC)C1 ZINC000596661661 358735235 /nfs/dbraw/zinc/73/52/35/358735235.db2.gz PBLUAXRXCDELQV-ILXRZTDVSA-N 0 0 324.421 2.095 10 30 DEEERN C=CCSCCNC(=O)Nc1cccc2c1CCN(C)C2=O ZINC000597061605 358814761 /nfs/dbraw/zinc/81/47/61/358814761.db2.gz QPIISCOVSHIVMX-UHFFFAOYSA-N 0 0 319.430 2.355 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000596840854 358772718 /nfs/dbraw/zinc/77/27/18/358772718.db2.gz DLOAVKBWHXESCJ-XHDPSFHLSA-N 0 0 319.361 2.243 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(C(=O)OC(C)(C)C)ccn1 ZINC000596954454 358793694 /nfs/dbraw/zinc/79/36/94/358793694.db2.gz GLCGZAHIWHYWHD-LBPRGKRZSA-N 0 0 321.377 2.095 10 30 DEEERN C=CCOC[C@H](NCc1cc2ccc(C)cc2[nH]1)C(=O)OC ZINC000597117967 358828651 /nfs/dbraw/zinc/82/86/51/358828651.db2.gz UVFBLUFTRUIHEL-INIZCTEOSA-N 0 0 302.374 2.310 10 30 DEEERN C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(COC2)C1 ZINC000597285082 358878782 /nfs/dbraw/zinc/87/87/82/358878782.db2.gz MMUXIBXXOKLORI-UHFFFAOYSA-N 0 0 321.384 2.229 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCCSC ZINC000597293616 358881222 /nfs/dbraw/zinc/88/12/22/358881222.db2.gz YAYLCBFXDRFUCL-KBPBESRZSA-N 0 0 312.479 2.497 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCCCSC ZINC000597293619 358881313 /nfs/dbraw/zinc/88/13/13/358881313.db2.gz YAYLCBFXDRFUCL-ZIAGYGMSSA-N 0 0 312.479 2.497 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccccc1NC(=O)C(C)(C)C ZINC000185706790 199879367 /nfs/dbraw/zinc/87/93/67/199879367.db2.gz RUVXJAUZSMRJLD-GFCCVEGCSA-N 0 0 304.390 2.338 10 30 DEEERN C=C[C@H](O)C(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000597822300 359015771 /nfs/dbraw/zinc/01/57/71/359015771.db2.gz OYBRAEUKDLGZHY-KKUMJFAQSA-N 0 0 317.385 2.220 10 30 DEEERN CN(C(=O)NCc1ncn(C)n1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000329845543 404469515 /nfs/dbraw/zinc/46/95/15/404469515.db2.gz YAGIELHLMRXXNT-ZJUUUORDSA-N 0 0 319.331 2.282 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000598207833 359122517 /nfs/dbraw/zinc/12/25/17/359122517.db2.gz IKRVBKUSKDVTDT-UHFFFAOYSA-N 0 0 308.334 2.316 10 30 DEEERN C=CCCSCCNC(=O)c1cccc(Cn2ccnn2)c1 ZINC000597973570 359056270 /nfs/dbraw/zinc/05/62/70/359056270.db2.gz HPWSXWYNJCXVKB-UHFFFAOYSA-N 0 0 316.430 2.366 10 30 DEEERN C=CCOCCCC(=O)NCc1ccc(C(=O)OC)cc1F ZINC000598343257 359170561 /nfs/dbraw/zinc/17/05/61/359170561.db2.gz MTHVDGJGOONVPY-UHFFFAOYSA-N 0 0 309.337 2.211 10 30 DEEERN N#Cc1cc(F)c(N[C@H]2CCOC[C@@H]2O)cc1Br ZINC000599175614 359425596 /nfs/dbraw/zinc/42/55/96/359425596.db2.gz FHUBONVASVBYGT-JQWIXIFHSA-N 0 0 315.142 2.022 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 ZINC000599375330 359482420 /nfs/dbraw/zinc/48/24/20/359482420.db2.gz SAWUPANLURAOGR-NSHDSACASA-N 0 0 313.375 2.043 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccsc2C(=O)OC)C1 ZINC000599375656 359482953 /nfs/dbraw/zinc/48/29/53/359482953.db2.gz XAXXJXBGXMUDEM-JTQLQIEISA-N 0 0 315.416 2.121 10 30 DEEERN C=CC(C)(C)CCNC(=O)Nc1ncc(C(=O)OCC)n1C ZINC000599786417 359597923 /nfs/dbraw/zinc/59/79/23/359597923.db2.gz KFIQOKQYMXUYMX-UHFFFAOYSA-N 0 0 308.382 2.321 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc2c(C(=O)OC)c[nH]c2c1 ZINC000599841733 359609468 /nfs/dbraw/zinc/60/94/68/359609468.db2.gz FZSQWDKWGHTXDC-LLVKDONJSA-N 0 0 317.345 2.013 10 30 DEEERN C=CCCSCCNC(=O)c1cc(S(C)(=O)=O)c(C)o1 ZINC000600090955 359646276 /nfs/dbraw/zinc/64/62/76/359646276.db2.gz RGLJQWSMPLFZEM-UHFFFAOYSA-N 0 0 317.432 2.031 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187563162 200128766 /nfs/dbraw/zinc/12/87/66/200128766.db2.gz VGYZXFRCKZHUAB-SNPRPXQTSA-N 0 0 309.431 2.264 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000600212962 359692684 /nfs/dbraw/zinc/69/26/84/359692684.db2.gz MJIOOHMIOWAKQE-CYBMUJFWSA-N 0 0 306.366 2.223 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OC[C@H](O)CC(=O)OCC ZINC000600512225 359758148 /nfs/dbraw/zinc/75/81/48/359758148.db2.gz AWXYKSMZJWXGBG-CYBMUJFWSA-N 0 0 309.318 2.016 10 30 DEEERN C=C(C)CN(CC)C(=O)CSCCOC1CCOCC1 ZINC000600650281 359791956 /nfs/dbraw/zinc/79/19/56/359791956.db2.gz GWBKAGZEHLFVBT-UHFFFAOYSA-N 0 0 301.452 2.340 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cc2c(cc1C)OCO2 ZINC000627686597 366591924 /nfs/dbraw/zinc/59/19/24/366591924.db2.gz SYIHMUHKNBMBDK-UHFFFAOYSA-N 0 0 318.373 2.381 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1nn(-c2c(F)cccc2F)cc1C ZINC000276158589 212706004 /nfs/dbraw/zinc/70/60/04/212706004.db2.gz CWJRDCZXHXOBOL-NSHDSACASA-N 0 0 321.327 2.126 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1C[C@H](O)C12CCC2 ZINC000619072920 363693882 /nfs/dbraw/zinc/69/38/82/363693882.db2.gz DOIDWSHKFSDEAR-CVEARBPZSA-N 0 0 317.385 2.293 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000619072926 363694138 /nfs/dbraw/zinc/69/41/38/363694138.db2.gz DOIDWSHKFSDEAR-HZPDHXFCSA-N 0 0 317.385 2.293 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000601067928 359910164 /nfs/dbraw/zinc/91/01/64/359910164.db2.gz FKYQMDSZGQAORW-ZDUSSCGKSA-N 0 0 303.318 2.024 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2OC)C1 ZINC000627732862 366603782 /nfs/dbraw/zinc/60/37/82/366603782.db2.gz FJXWXWSIQBYSPM-SNVBAGLBSA-N 0 0 324.327 2.337 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000627735754 366604366 /nfs/dbraw/zinc/60/43/66/366604366.db2.gz AVUDHJLNFHDBFL-CYBMUJFWSA-N 0 0 300.358 2.252 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2c(F)cc(F)cc2F)C1 ZINC000627735470 366604958 /nfs/dbraw/zinc/60/49/58/366604958.db2.gz UFCZKECGDBZWEJ-SECBINFHSA-N 0 0 312.291 2.467 10 30 DEEERN C=CC[C@H](CO)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601438555 360040691 /nfs/dbraw/zinc/04/06/91/360040691.db2.gz AUHZCEMQNYRXMI-CYBMUJFWSA-N 0 0 304.346 2.070 10 30 DEEERN C=C1CC(C)(C(=O)N2CCC[C@](COC)(C(=O)OCC)C2)C1 ZINC000601557197 360072056 /nfs/dbraw/zinc/07/20/56/360072056.db2.gz MOZQGGLVWMDVET-KRWDZBQOSA-N 0 0 309.406 2.161 10 30 DEEERN C=C(C)C[C@H](NC(=O)COc1c(C)cccc1C)C(=O)OC ZINC000601771099 360140344 /nfs/dbraw/zinc/14/03/44/360140344.db2.gz HOBFNNUPJVKVES-AWEZNQCLSA-N 0 0 305.374 2.306 10 30 DEEERN C=C(C)C[C@H](NC(=O)COc1cc(C)cc(C)c1)C(=O)OC ZINC000601772758 360141571 /nfs/dbraw/zinc/14/15/71/360141571.db2.gz QNNBJMXQSPDYFH-HNNXBMFYSA-N 0 0 305.374 2.306 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)OC ZINC000601773951 360142562 /nfs/dbraw/zinc/14/25/62/360142562.db2.gz XUTFUGOVLNRRFH-OAHLLOKOSA-N 0 0 300.358 2.334 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(=O)OC ZINC000601776976 360143446 /nfs/dbraw/zinc/14/34/46/360143446.db2.gz DHSFSVWSQDDGRD-JSGCOSHPSA-N 0 0 323.776 2.268 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H](C)Sc1ccccn1)C(=O)OC ZINC000601780173 360144637 /nfs/dbraw/zinc/14/46/37/360144637.db2.gz BDQZIGFPSPHRKJ-NWDGAFQWSA-N 0 0 308.403 2.186 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)Sc1ccccn1)C(=O)OC ZINC000601780176 360144740 /nfs/dbraw/zinc/14/47/40/360144740.db2.gz BDQZIGFPSPHRKJ-VXGBXAGGSA-N 0 0 308.403 2.186 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CNc1c(C)cccc1C)C(=O)OC ZINC000601781707 360145841 /nfs/dbraw/zinc/14/58/41/360145841.db2.gz KCCPBCUOOQUSAO-CQSZACIVSA-N 0 0 304.390 2.339 10 30 DEEERN C=C(C)C[C@@H](NC(=O)COC/C=C/c1ccccc1)C(=O)OC ZINC000601782670 360146846 /nfs/dbraw/zinc/14/68/46/360146846.db2.gz RLVBPEFIOWLPSF-OJXHRBAXSA-N 0 0 317.385 2.340 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)Cc1ccc(OC)cc1)C(=O)OC ZINC000601785773 360148405 /nfs/dbraw/zinc/14/84/05/360148405.db2.gz CKYNJDCHISYORY-XJKSGUPXSA-N 0 0 319.401 2.498 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CSc1ccc(C#N)cc1)C(=O)OC ZINC000601786785 360149519 /nfs/dbraw/zinc/14/95/19/360149519.db2.gz SGQIWYZXUYEICI-CQSZACIVSA-N 0 0 318.398 2.274 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CSc1ccccc1OC)C(=O)OC ZINC000601786686 360149612 /nfs/dbraw/zinc/14/96/12/360149612.db2.gz HMLXFMUOVQUTKQ-GFCCVEGCSA-N 0 0 323.414 2.411 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(C)n([C@H](C)C2CC2)n1)C(=O)OC ZINC000601787727 360150529 /nfs/dbraw/zinc/15/05/29/360150529.db2.gz NPIIDYZQWYQFDQ-IUODEOHRSA-N 0 0 319.405 2.400 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CCN(CCC#N)CC1 ZINC000601864058 360177368 /nfs/dbraw/zinc/17/73/68/360177368.db2.gz SVSIKJNRKRXPFM-UHFFFAOYSA-N 0 0 316.453 2.088 10 30 DEEERN C=CCSCCNC(=O)C[C@H](n1ccnc1)C(F)(F)F ZINC000602088111 360260018 /nfs/dbraw/zinc/26/00/18/360260018.db2.gz KMQYUKLPWOKXRB-JTQLQIEISA-N 0 0 307.341 2.412 10 30 DEEERN C=CCCSCCNC(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000602332962 360342673 /nfs/dbraw/zinc/34/26/73/360342673.db2.gz IFWOYWXHIQBJIU-LLVKDONJSA-N 0 0 308.394 2.361 10 30 DEEERN C=CCN(C(=O)C1CC(OC)C1)c1nc(C(=O)OCC)cs1 ZINC000602245112 360321939 /nfs/dbraw/zinc/32/19/39/360321939.db2.gz QFIBCJWGHWWUGF-UHFFFAOYSA-N 0 0 324.402 2.264 10 30 DEEERN COc1cc(CCO)ccc1NC(=O)c1sccc1C#N ZINC000619251827 363745155 /nfs/dbraw/zinc/74/51/55/363745155.db2.gz RAFHMLPSUPERQM-UHFFFAOYSA-N 0 0 302.355 2.415 10 30 DEEERN C=C(C)C[C@@H](NCc1cc(OC)c(OC)c(OC)c1)C(=O)OC ZINC000602731962 360524564 /nfs/dbraw/zinc/52/45/64/360524564.db2.gz MGQSLEGWCUQDGZ-CYBMUJFWSA-N 0 0 323.389 2.310 10 30 DEEERN C=C(C)C[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)OC ZINC000602735304 360525828 /nfs/dbraw/zinc/52/58/28/360525828.db2.gz UOSJEHVNXYEVGX-GFCCVEGCSA-N 0 0 308.334 2.201 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(C(F)(F)F)ccn1)C(=O)OC ZINC000603218408 360751622 /nfs/dbraw/zinc/75/16/22/360751622.db2.gz LQPBRICHRAGQGJ-NSHDSACASA-N 0 0 316.279 2.338 10 30 DEEERN C=C(C)[C@@H](CO)n1cc(CC2(C(=O)OC)CCCCC2)nn1 ZINC000603238343 360761183 /nfs/dbraw/zinc/76/11/83/360761183.db2.gz VRNGGGFKAOUMPS-CQSZACIVSA-N 0 0 307.394 2.054 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1c[nH]ccc1=O ZINC000609171609 361286799 /nfs/dbraw/zinc/28/67/99/361286799.db2.gz JEBIBYWUNSHYIV-INIZCTEOSA-N 0 0 311.341 2.289 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1c[nH]ccc1=O ZINC000609171610 361286907 /nfs/dbraw/zinc/28/69/07/361286907.db2.gz JEBIBYWUNSHYIV-MRXNPFEDSA-N 0 0 311.341 2.289 10 30 DEEERN N#Cc1ccc(CNC(=O)CN2CCc3ccccc32)c(F)c1 ZINC000609232152 361291848 /nfs/dbraw/zinc/29/18/48/361291848.db2.gz ZOBFQEHEWNUZBB-UHFFFAOYSA-N 0 0 309.344 2.376 10 30 DEEERN CCn1cc(NC(=O)NCc2ccc(C#N)cc2F)ccc1=O ZINC000609240043 361291991 /nfs/dbraw/zinc/29/19/91/361291991.db2.gz SCFKZIDYUKURHD-UHFFFAOYSA-N 0 0 314.320 2.201 10 30 DEEERN CCOC(=O)CC[C@H](C)NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000089937672 192911475 /nfs/dbraw/zinc/91/14/75/192911475.db2.gz XXHYXFFRJUKXNM-ZDUSSCGKSA-N 0 0 317.389 2.431 10 30 DEEERN C[C@@]1(O)CCCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000619362817 363773222 /nfs/dbraw/zinc/77/32/22/363773222.db2.gz AFAQAGMCJVZSFK-MRXNPFEDSA-N 0 0 305.353 2.144 10 30 DEEERN N#Cc1cc(C(=O)Nc2ccc(N3CCC(O)CC3)cc2)ccn1 ZINC000193488215 201060295 /nfs/dbraw/zinc/06/02/95/201060295.db2.gz BVDLWLLYXQWBHQ-UHFFFAOYSA-N 0 0 322.368 2.167 10 30 DEEERN CC[C@@H](C[C@@H](C)CO)NC(=O)NCc1ccc(C#N)cc1F ZINC000610402574 361394217 /nfs/dbraw/zinc/39/42/17/361394217.db2.gz SAMRQLIVLJSWTN-RISCZKNCSA-N 0 0 307.369 2.294 10 30 DEEERN C=CC(C)(C)CCNC(=O)CNC(=O)c1ccccc1OC ZINC000628318644 366809073 /nfs/dbraw/zinc/80/90/73/366809073.db2.gz NUKXOJYVETYNNQ-UHFFFAOYSA-N 0 0 304.390 2.144 10 30 DEEERN Cc1cccn2cc(CCNC(=O)Cc3cccc(C#N)c3)nc12 ZINC000610523147 361416110 /nfs/dbraw/zinc/41/61/10/361416110.db2.gz QHKYAZRCPFQSLP-UHFFFAOYSA-N 0 0 318.380 2.416 10 30 DEEERN CCOc1cccc(CCNC(=O)Cc2ccc(C#N)cc2)n1 ZINC000610760400 361462257 /nfs/dbraw/zinc/46/22/57/361462257.db2.gz FXGADYKYNNKIIV-UHFFFAOYSA-N 0 0 309.369 2.253 10 30 DEEERN C[C@@H](CNS(=O)(=O)c1ccccc1C#N)c1ccncc1 ZINC000611025322 361514768 /nfs/dbraw/zinc/51/47/68/361514768.db2.gz ICEVOPFVAYILHN-LBPRGKRZSA-N 0 0 301.371 2.035 10 30 DEEERN Cn1ccnc1C[C@H](NC(=O)c1ccc(C#N)[nH]1)c1ccccc1 ZINC000611035106 361516718 /nfs/dbraw/zinc/51/67/18/361516718.db2.gz MIKUQHKIUQQGKW-INIZCTEOSA-N 0 0 319.368 2.334 10 30 DEEERN COC(=O)C[C@H]1CCCCN1C(=O)Cc1cccc(C#N)c1 ZINC000611340481 361582647 /nfs/dbraw/zinc/58/26/47/361582647.db2.gz OOJOYRGYZUXLAG-OAHLLOKOSA-N 0 0 300.358 2.045 10 30 DEEERN CCO[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000611538520 361626204 /nfs/dbraw/zinc/62/62/04/361626204.db2.gz RXPIZMLWIJFHMC-CXAGYDPISA-N 0 0 324.421 2.276 10 30 DEEERN Cc1ccc2c(c1)N(C(=O)C(=O)N1CCC(C)(C#N)CC1)CC2 ZINC000611547591 361628995 /nfs/dbraw/zinc/62/89/95/361628995.db2.gz NSGCJTXERPJYHU-UHFFFAOYSA-N 0 0 311.385 2.036 10 30 DEEERN COC[C@](C)(NCCOc1ccccc1C#N)C(F)(F)F ZINC000611718158 361666826 /nfs/dbraw/zinc/66/68/26/361666826.db2.gz UBPFJQIXMFJIKV-ZDUSSCGKSA-N 0 0 302.296 2.494 10 30 DEEERN C=CCOCCCNC(=O)C(=O)NCC(C)(C)C1=CCCCC1 ZINC000611794257 361683328 /nfs/dbraw/zinc/68/33/28/361683328.db2.gz HOJGYIMNNHCPKT-UHFFFAOYSA-N 0 0 322.449 2.338 10 30 DEEERN C=CCN(CC=C)c1nnc(-c2cc[nH]n2)n1C[C@H]1CCCO1 ZINC000611909286 361704112 /nfs/dbraw/zinc/70/41/12/361704112.db2.gz SQOUZDIWZBAQQB-CYBMUJFWSA-N 0 0 314.393 2.026 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@H](CC)[C@@H]2CCCCO2)C1 ZINC000612045337 361729696 /nfs/dbraw/zinc/72/96/96/361729696.db2.gz SCVYNKWWNVYCEO-OAGGEKHMSA-N 0 0 322.449 2.265 10 30 DEEERN C[C@@H](C(=O)N[C@@H](c1ccccc1)C(F)(F)F)n1cnc(C#N)n1 ZINC000619587168 363835283 /nfs/dbraw/zinc/83/52/83/363835283.db2.gz AOQGJFVVDGEIMO-CABZTGNLSA-N 0 0 323.278 2.131 10 30 DEEERN N#CC1CCC(CNC(=O)N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000619670700 363852182 /nfs/dbraw/zinc/85/21/82/363852182.db2.gz NAYNDOLAEPTHAH-MCIGGMRASA-N 0 0 319.327 2.289 10 30 DEEERN C=C[C@H](NCc1ccc(C)cc1OC[C@@H]1CCOC1)C(=O)OC ZINC000619702229 363859738 /nfs/dbraw/zinc/85/97/38/363859738.db2.gz KCSQKMXGNVNVLY-ZBFHGGJFSA-N 0 0 319.401 2.228 10 30 DEEERN C=C[C@H](N[C@H](C)c1nc(C)c(C(=O)OCC)s1)C(=O)OC ZINC000619701944 363859975 /nfs/dbraw/zinc/85/99/75/363859975.db2.gz ANVQRXUBEFUVAU-ZJUUUORDSA-N 0 0 312.391 2.006 10 30 DEEERN C=C[C@H](C(=O)OC)N1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000619719739 363864385 /nfs/dbraw/zinc/86/43/85/363864385.db2.gz ACAYVNVJQMIRKO-CZUORRHYSA-N 0 0 306.381 2.232 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)C3CC3)cc2C1=O ZINC000619640617 363845477 /nfs/dbraw/zinc/84/54/77/363845477.db2.gz JRBMRDBCAONCJL-LLVKDONJSA-N 0 0 312.369 2.245 10 30 DEEERN CCOC(=O)C[C@]1([C@@H]2CO2)CCCN(C(=O)OC(C)(C)C)C1 ZINC000675053544 541285850 /nfs/dbraw/zinc/28/58/50/541285850.db2.gz OLFRZCGZRHWFGF-BLLLJJGKSA-N 0 0 313.394 2.356 10 30 DEEERN O=C(C#Cc1ccc2c(c1)OCO2)N[C@H]1CCOc2ccccc21 ZINC000178224396 283734484 /nfs/dbraw/zinc/73/44/84/283734484.db2.gz NHILKEWWULXWFK-HNNXBMFYSA-N 0 0 321.332 2.407 10 30 DEEERN C=CCC1(C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)CCCC1 ZINC000619975855 363924188 /nfs/dbraw/zinc/92/41/88/363924188.db2.gz JPJKNGTXXHGYNJ-AWEZNQCLSA-N 0 0 307.438 2.337 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000620302992 364012618 /nfs/dbraw/zinc/01/26/18/364012618.db2.gz FDJJYKRZCQJGLJ-FCEWJHQRSA-N 0 0 310.397 2.154 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12 ZINC000620302158 364013001 /nfs/dbraw/zinc/01/30/01/364013001.db2.gz SUWVNSRSXUSTHJ-JKJDWNRSSA-N 0 0 302.418 2.391 10 30 DEEERN C=CCn1cc(C(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)nn1 ZINC000621162208 364289871 /nfs/dbraw/zinc/28/98/71/364289871.db2.gz OUNRDQVFCRAKCX-HNNXBMFYSA-N 0 0 309.373 2.227 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1 ZINC000628482041 366863117 /nfs/dbraw/zinc/86/31/17/366863117.db2.gz CMOQUXPLBSHJNM-HNNXBMFYSA-N 0 0 323.396 2.330 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C[C@H](NC(N)=O)c2ccccc2)C1 ZINC000628484152 366863780 /nfs/dbraw/zinc/86/37/80/366863780.db2.gz FRQXKJRSGOBIDM-HIFRSBDPSA-N 0 0 301.390 2.211 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)C1 ZINC000628485948 366864180 /nfs/dbraw/zinc/86/41/80/366864180.db2.gz XSOCFMQGHMXLSU-OAHLLOKOSA-N 0 0 319.449 2.339 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2ccnc(O[C@@H]3CCOC3)c2)C1 ZINC000628491460 366865104 /nfs/dbraw/zinc/86/51/04/366865104.db2.gz YSUDMQJWHGFALY-UKRRQHHQSA-N 0 0 302.374 2.288 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(CCOC)Cc1cccs1 ZINC000622774386 364793401 /nfs/dbraw/zinc/79/34/01/364793401.db2.gz FQKGNEJOYBTIAV-HNNXBMFYSA-N 0 0 324.446 2.194 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC2(CCCC2)OC[C@H]1C ZINC000622969565 364845228 /nfs/dbraw/zinc/84/52/28/364845228.db2.gz MAMMHRUXGUMZJV-HIFRSBDPSA-N 0 0 308.422 2.017 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCCc2cn3c(n2)CCCC3)C1 ZINC000623411105 365019868 /nfs/dbraw/zinc/01/98/68/365019868.db2.gz SWBBCIIYEOVLBC-CQSZACIVSA-N 0 0 302.422 2.370 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCC(=O)N(C)C2CCCCC2)C1 ZINC000623691542 365134617 /nfs/dbraw/zinc/13/46/17/365134617.db2.gz PWVBYSPVNPZXOA-AWEZNQCLSA-N 0 0 307.438 2.385 10 30 DEEERN C=CCn1cc(CNCc2ccc(OC)c(OC3CC3)c2)nn1 ZINC000623554023 365075853 /nfs/dbraw/zinc/07/58/53/365075853.db2.gz ONOMBSRNKJRFPA-UHFFFAOYSA-N 0 0 314.389 2.304 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2c(CC)nn(C)c2OC)C1 ZINC000623846202 365196577 /nfs/dbraw/zinc/19/65/77/365196577.db2.gz NVEIGNGTLDFSLS-GFCCVEGCSA-N 0 0 306.410 2.099 10 30 DEEERN C=CC(C)(C)CNC(=O)NCc1c(C(F)(F)F)cnn1C ZINC000624156271 365311645 /nfs/dbraw/zinc/31/16/45/365311645.db2.gz WYSPPZNNPZXQHG-UHFFFAOYSA-N 0 0 304.316 2.450 10 30 DEEERN C=CCOCC(=O)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000628571836 366884443 /nfs/dbraw/zinc/88/44/43/366884443.db2.gz XILGDLDLWNPTBC-BXUZGUMPSA-N 0 0 315.291 2.240 10 30 DEEERN C[C@H]1C[C@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449597878 240743319 /nfs/dbraw/zinc/74/33/19/240743319.db2.gz GRTBKBPLMJQWBO-ONGXEEELSA-N 0 0 323.190 2.472 10 30 DEEERN C=CCOCCCNC(=O)N[C@H](c1ccc(OC)nc1)C1CC1 ZINC000624369451 365398414 /nfs/dbraw/zinc/39/84/14/365398414.db2.gz FPFDRCKXFZACKG-INIZCTEOSA-N 0 0 319.405 2.433 10 30 DEEERN Cc1noc(C2CCN(Cc3cnc4ccc(C#N)cn34)CC2)n1 ZINC000091834963 193115431 /nfs/dbraw/zinc/11/54/31/193115431.db2.gz XNEYWDBXSCSYFI-UHFFFAOYSA-N 0 0 322.372 2.277 10 30 DEEERN Cc1[nH]c(C#N)cc1C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000449839820 241151154 /nfs/dbraw/zinc/15/11/54/241151154.db2.gz NUBPTVPUUOMOLW-UHFFFAOYSA-N 0 0 300.343 2.423 10 30 DEEERN CCOc1cc(CNC(=O)c2ccc(C#N)n2C)ccc1OC ZINC000449863102 241182063 /nfs/dbraw/zinc/18/20/63/241182063.db2.gz CRURIIHXLONZMI-UHFFFAOYSA-N 0 0 313.357 2.234 10 30 DEEERN C=CCCOCC(=O)N[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000628774806 366965246 /nfs/dbraw/zinc/96/52/46/366965246.db2.gz WBKIPMAKTOCEEP-OAHLLOKOSA-N 0 0 303.337 2.347 10 30 DEEERN C=C(C)[C@@H](CC(=O)NC[C@H]1c2ccccc2C(=O)N1C)OCC ZINC000628955372 367026064 /nfs/dbraw/zinc/02/60/64/367026064.db2.gz JKHOOOMFSACULZ-JKSUJKDBSA-N 0 0 316.401 2.301 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CCO[C@@](C)(COC)C2)cc1 ZINC000629897965 367366663 /nfs/dbraw/zinc/36/66/63/367366663.db2.gz MCAOJVKMQYKDHT-GOSISDBHSA-N 0 0 319.401 2.058 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H](C)Nc1cccc2c1NC(=O)CO2 ZINC000630380530 367622705 /nfs/dbraw/zinc/62/27/05/367622705.db2.gz HSMUFOZTKJIZPK-GFCCVEGCSA-N 0 0 315.373 2.019 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2nc(C3CCOCC3)cs2)C1=O ZINC000630519353 367702564 /nfs/dbraw/zinc/70/25/64/367702564.db2.gz LOZMGAJQMKRSOX-LLVKDONJSA-N 0 0 321.402 2.428 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cccc([C@H]3CCC(=O)N3)c2)C1=O ZINC000630522162 367704568 /nfs/dbraw/zinc/70/45/68/367704568.db2.gz NSSGZQFAKVJSKN-ZIAGYGMSSA-N 0 0 313.357 2.029 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1CCC[C@H](NC(=O)N(C)C)C1 ZINC000450921300 242396421 /nfs/dbraw/zinc/39/64/21/242396421.db2.gz GMTSHMOBIZCXKV-AWEZNQCLSA-N 0 0 314.389 2.001 10 30 DEEERN C=C1CC(C)(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)C1 ZINC000630633443 367766999 /nfs/dbraw/zinc/76/69/99/367766999.db2.gz KSJGLMKVKKPVPK-UHFFFAOYSA-N 0 0 305.422 2.093 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000630902290 367903813 /nfs/dbraw/zinc/90/38/13/367903813.db2.gz IOBIOVMYELSDES-LBPRGKRZSA-N 0 0 322.430 2.128 10 30 DEEERN C=C1CC(C)(C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)C1 ZINC000630917195 367912174 /nfs/dbraw/zinc/91/21/74/367912174.db2.gz QNGQSRBAHLDWOX-UHFFFAOYSA-N 0 0 301.325 2.405 10 30 DEEERN C=C1CC(C)(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C1 ZINC000630856887 367883303 /nfs/dbraw/zinc/88/33/03/367883303.db2.gz PDLJKQJXDCMOQI-UHFFFAOYSA-N 0 0 316.405 2.237 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCc2ccc(OC)cc2OC)C1=O ZINC000630967816 367941319 /nfs/dbraw/zinc/94/13/19/367941319.db2.gz NZASVDSNLDKOAW-AWEZNQCLSA-N 0 0 318.373 2.133 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccc(OCCOC)cc2)C1=O ZINC000630969417 367942514 /nfs/dbraw/zinc/94/25/14/367942514.db2.gz DYVDZMUMYGVHLU-OAHLLOKOSA-N 0 0 318.373 2.098 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCN2CCCc3ccccc32)C1=O ZINC000630972010 367944090 /nfs/dbraw/zinc/94/40/90/367944090.db2.gz UMJLLQNRHNXGFH-HNNXBMFYSA-N 0 0 313.401 2.326 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCOCc2ccc(OC)cc2)C1=O ZINC000630973398 367945270 /nfs/dbraw/zinc/94/52/70/367945270.db2.gz ZVXBJFRJOVOORT-HNNXBMFYSA-N 0 0 318.373 2.098 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H](C)Oc2ccccc2F)C1=O ZINC000630973390 367945529 /nfs/dbraw/zinc/94/55/29/367945529.db2.gz CIESSCLUGVLUFM-YPMHNXCESA-N 0 0 306.337 2.480 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccc(C(C)(C)C)[nH]c2=O)C1=O ZINC000630990902 367954339 /nfs/dbraw/zinc/95/43/39/367954339.db2.gz KMYIFCLKLFMWOB-GFCCVEGCSA-N 0 0 317.389 2.471 10 30 DEEERN C=C1CC(C)(C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000631243203 368100471 /nfs/dbraw/zinc/10/04/71/368100471.db2.gz WACCCOSFWSKYBQ-UHFFFAOYSA-N 0 0 322.430 2.055 10 30 DEEERN C=C1CCN(S(=O)(=O)CCc2noc3ccccc32)CC1 ZINC000631923654 368457967 /nfs/dbraw/zinc/45/79/67/368457967.db2.gz FIJFXFWCNXGLCW-UHFFFAOYSA-N 0 0 306.387 2.352 10 30 DEEERN C[C@H](C#N)N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000093633042 193277251 /nfs/dbraw/zinc/27/72/51/193277251.db2.gz ACNIJGNLHWLQQX-LLVKDONJSA-N 0 0 308.769 2.278 10 30 DEEERN CS(=O)(=O)CCSc1nc(C(F)(F)F)ccc1C#N ZINC000094336997 193361308 /nfs/dbraw/zinc/36/13/08/193361308.db2.gz WMHIYKVFBVXSJW-UHFFFAOYSA-N 0 0 310.322 2.109 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cc1N ZINC000094045959 193341457 /nfs/dbraw/zinc/34/14/57/193341457.db2.gz YHYPPMUZSQFBRZ-UFBFGSQYSA-N 0 0 308.179 2.453 10 30 DEEERN C[C@](N)(C(=O)Nc1sc2c(c1C#N)CCC2)C(F)(F)F ZINC000094236932 193353927 /nfs/dbraw/zinc/35/39/27/193353927.db2.gz ZFBAAZGNLITQOL-NSHDSACASA-N 0 0 303.309 2.327 10 30 DEEERN CSc1ccccc1C(=O)NCC#Cc1ccc(C(N)=O)cc1 ZINC000096348110 193614917 /nfs/dbraw/zinc/61/49/17/193614917.db2.gz GUTHSMWBFVZPEA-UHFFFAOYSA-N 0 0 324.405 2.289 10 30 DEEERN C=CCOc1ccccc1N=CC1C(=O)OC(C)(C)OC1=O ZINC000010121521 181657789 /nfs/dbraw/zinc/65/77/89/181657789.db2.gz VAQWSVZVJWBPTL-UHFFFAOYSA-N 0 0 303.314 2.383 10 30 DEEERN COC(=O)c1ccc2c(c1)oc(=O)n2Cc1cccc(C#N)c1 ZINC000096550954 193678378 /nfs/dbraw/zinc/67/83/78/193678378.db2.gz XKYPUCPSJYNHJX-UHFFFAOYSA-N 0 0 308.293 2.301 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1csc(C(=O)OC)c1 ZINC000266130530 205122843 /nfs/dbraw/zinc/12/28/43/205122843.db2.gz FXBMWOXMQFRMCP-UHFFFAOYSA-N 0 0 303.405 2.121 10 30 DEEERN C=C(Br)CNS(=O)(=O)c1ccc(CC)cc1 ZINC000161399285 197491887 /nfs/dbraw/zinc/49/18/87/197491887.db2.gz LBCUYHXKNRERDH-UHFFFAOYSA-N 0 0 304.209 2.436 10 30 DEEERN C=C(C)CCNC(=O)N[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000454418527 245743986 /nfs/dbraw/zinc/74/39/86/245743986.db2.gz AJUULQZQBUAAQZ-CYBMUJFWSA-N 0 0 317.389 2.066 10 30 DEEERN C=CC[C@H]([NH3+])C(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000160151208 197389686 /nfs/dbraw/zinc/38/96/86/197389686.db2.gz FEBLLCDFAYNZOB-JTQLQIEISA-N 0 0 302.252 2.246 10 30 DEEERN N#Cc1ccccc1Oc1ccc(C(=O)NC2CCOCC2)nn1 ZINC000301706217 229840051 /nfs/dbraw/zinc/84/00/51/229840051.db2.gz BLXVHOHMOUJGDM-UHFFFAOYSA-N 0 0 324.340 2.049 10 30 DEEERN Cc1ccc(S(=O)(=O)NNC2=CC(=O)CC(C)(C)C2)cc1 ZINC000100411305 193799390 /nfs/dbraw/zinc/79/93/90/193799390.db2.gz HZAPVISLNYOUOE-VBKFSLOCSA-N 0 0 308.403 2.409 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCOC[C@H]1c1ccc(F)cc1 ZINC000456447357 247202618 /nfs/dbraw/zinc/20/26/18/247202618.db2.gz IWIWUMDNMWOFAP-INIZCTEOSA-N 0 0 313.332 2.250 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc(C#N)cc1C ZINC000248876439 291627546 /nfs/dbraw/zinc/62/75/46/291627546.db2.gz WBJFAYFUJGIHNW-BMFZPTHFSA-N 0 0 312.369 2.280 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CCC[C@]2(CCOC2)C1 ZINC000456697645 247365620 /nfs/dbraw/zinc/36/56/20/247365620.db2.gz QSRICQGRAZFILG-KRWDZBQOSA-N 0 0 302.374 2.289 10 30 DEEERN C=C(CC)CNC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000456831796 247446463 /nfs/dbraw/zinc/44/64/63/247446463.db2.gz VDOHVXORVZOJFP-INIZCTEOSA-N 0 0 304.390 2.345 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)NCC[C@](C)(O)COC ZINC000458946402 248559265 /nfs/dbraw/zinc/55/92/65/248559265.db2.gz ZJIOKKTVWZHDTN-KRWDZBQOSA-N 0 0 306.406 2.172 10 30 DEEERN Cc1nc(Cl)sc1S(=O)(=O)N(CCC#N)C1CC1 ZINC000038110537 182992812 /nfs/dbraw/zinc/99/28/12/182992812.db2.gz WTYJNLBWEZICPU-UHFFFAOYSA-N 0 0 305.812 2.172 10 30 DEEERN CCN(CC)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000041258044 183181675 /nfs/dbraw/zinc/18/16/75/183181675.db2.gz UDVKURLLIDEKSH-INIZCTEOSA-N 0 0 318.396 2.470 10 30 DEEERN CC[C@@H](O)c1cccc(S(=O)(=O)N(CCC#N)C(C)C)c1 ZINC000042530272 183280868 /nfs/dbraw/zinc/28/08/68/183280868.db2.gz SQQVHPMYMOYJRK-OAHLLOKOSA-N 0 0 310.419 2.443 10 30 DEEERN CCN(CCOc1cccc(C#CCO)c1)CC(F)(F)F ZINC000042780174 183308534 /nfs/dbraw/zinc/30/85/34/183308534.db2.gz SDHPQRFMCCVQEL-UHFFFAOYSA-N 0 0 301.308 2.293 10 30 DEEERN O=C(c1ccc(C#CCCO)c(F)c1)N1CCCSCC1 ZINC000043582243 183373160 /nfs/dbraw/zinc/37/31/60/183373160.db2.gz SXITXBCEUFVQQW-UHFFFAOYSA-N 0 0 307.390 2.139 10 30 DEEERN CC(C)CN(CCC#N)S(=O)(=O)Cc1ccccc1C#N ZINC000043419569 183360870 /nfs/dbraw/zinc/36/08/70/183360870.db2.gz LWQCPXCDBJPVJV-UHFFFAOYSA-N 0 0 305.403 2.260 10 30 DEEERN CN(CC(C)(C)C)S(=O)(=O)c1cccc(C#CCCO)c1 ZINC000045091894 183481165 /nfs/dbraw/zinc/48/11/65/183481165.db2.gz KKUVNCNXQJNWKZ-UHFFFAOYSA-N 0 0 309.431 2.087 10 30 DEEERN Cc1noc([C@H]2CN(c3c(Cl)cccc3C#N)CCN2C)n1 ZINC000284421198 218020911 /nfs/dbraw/zinc/02/09/11/218020911.db2.gz CWMNYHLAIHXUPA-CYBMUJFWSA-N 0 0 317.780 2.396 10 30 DEEERN C=C(Br)CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105909579 194166762 /nfs/dbraw/zinc/16/67/62/194166762.db2.gz AXFHZLMMXXHQJS-LBPRGKRZSA-N 0 0 311.227 2.286 10 30 DEEERN C=CCN(CC=C)C(=O)CN1CCc2c(nc(C(C)C)n2C)C1 ZINC000106372593 194203175 /nfs/dbraw/zinc/20/31/75/194203175.db2.gz NLWFGCZCVDQYOH-UHFFFAOYSA-N 0 0 316.449 2.102 10 30 DEEERN O=C(Nc1ccc(Cl)cc1F)c1cncc(C#CCO)c1 ZINC000049628845 183748638 /nfs/dbraw/zinc/74/86/38/183748638.db2.gz NEKZVYZDYGRLTP-UHFFFAOYSA-N 0 0 304.708 2.470 10 30 DEEERN CC(=O)N[C@H](CC(=O)Nc1ccc(C#N)cn1)c1ccccc1 ZINC000110288906 194320196 /nfs/dbraw/zinc/32/01/96/194320196.db2.gz SQECKGADLWLAJI-OAHLLOKOSA-N 0 0 308.341 2.159 10 30 DEEERN N#C[C@]1(NCCCO)CCc2cc(Br)ccc2C1 ZINC000110830297 194362387 /nfs/dbraw/zinc/36/23/87/194362387.db2.gz TYFLBIOQSDPYJL-AWEZNQCLSA-N 0 0 309.207 2.172 10 30 DEEERN C#CCOC[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000056923077 184021715 /nfs/dbraw/zinc/02/17/15/184021715.db2.gz NOOCLANVPWIHEI-ZDUSSCGKSA-N 0 0 302.330 2.097 10 30 DEEERN C#CCOC[C@H]1CCCN(C(=O)c2ccc(OC)c(OC)c2)C1 ZINC000056923034 184021855 /nfs/dbraw/zinc/02/18/55/184021855.db2.gz KDAFOUFQKBXBKS-AWEZNQCLSA-N 0 0 317.385 2.206 10 30 DEEERN N#Cc1ccccc1NC(=O)C(=O)Nc1ccc(F)cc1F ZINC000059773063 184141048 /nfs/dbraw/zinc/14/10/48/184141048.db2.gz BEZVEHMIVWBNPO-UHFFFAOYSA-N 0 0 301.252 2.414 10 30 DEEERN CCc1nc(NC(=O)c2ccc(C#CCO)cn2)sc1C ZINC000061862418 184189989 /nfs/dbraw/zinc/18/99/89/184189989.db2.gz CPGRSMYYPPVOEL-UHFFFAOYSA-N 0 0 301.371 2.005 10 30 DEEERN Cc1ccc(S(=O)(=O)N(C)c2cccc(C#N)c2)cc1N ZINC000061979714 184200116 /nfs/dbraw/zinc/20/01/16/184200116.db2.gz XXDWULCASMYOPQ-UHFFFAOYSA-N 0 0 301.371 2.274 10 30 DEEERN CN(CC[C@@H]1CCCCO1)S(=O)(=O)c1ccccc1C#N ZINC000062193600 184218285 /nfs/dbraw/zinc/21/82/85/184218285.db2.gz SKYZZXWQQAIHPS-AWEZNQCLSA-N 0 0 308.403 2.138 10 30 DEEERN N#Cc1ccc(Cl)cc1NCc1ccc(S(N)(=O)=O)cc1 ZINC000062785195 184252993 /nfs/dbraw/zinc/25/29/93/184252993.db2.gz LVHZHIGRNVMURJ-UHFFFAOYSA-N 0 0 321.789 2.471 10 30 DEEERN N#CC1(NS(=O)(=O)C[C@H]2CCCO2)CCCCCCC1 ZINC000063155888 184274507 /nfs/dbraw/zinc/27/45/07/184274507.db2.gz JACJSVNPBRZYKB-CYBMUJFWSA-N 0 0 300.424 2.091 10 30 DEEERN C=CCN(CC=C)C(=O)CNc1cccc(OCCOC)c1 ZINC000066070317 184386620 /nfs/dbraw/zinc/38/66/20/184386620.db2.gz LCVJTXHZOIJAEG-UHFFFAOYSA-N 0 0 304.390 2.324 10 30 DEEERN N#Cc1nccn1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159445120 197354695 /nfs/dbraw/zinc/35/46/95/197354695.db2.gz FQHDIFFENSWROY-UHFFFAOYSA-N 0 0 307.107 2.474 10 30 DEEERN C[C@H](OS(C)(=O)=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095089559 299566579 /nfs/dbraw/zinc/56/65/79/299566579.db2.gz GJNHGTRDRKWTBE-QWRGUYRKSA-N 0 0 307.412 2.141 10 30 DEEERN N#CC1CCN(C(=O)c2cccc(OCC(F)(F)F)n2)CC1 ZINC000120207604 195119099 /nfs/dbraw/zinc/11/90/99/195119099.db2.gz ZALVDMMOEUPRNR-UHFFFAOYSA-N 0 0 313.279 2.398 10 30 DEEERN CC#CCCNS(=O)(=O)c1c(Cl)cc(N)cc1Cl ZINC000158274439 197259001 /nfs/dbraw/zinc/25/90/01/197259001.db2.gz YGANKSNHVIVBIJ-UHFFFAOYSA-N 0 0 307.202 2.267 10 30 DEEERN CC[C@H]1CN(C(=O)c2ccc(C#CCO)c(F)c2)CCS1 ZINC000157968250 197231523 /nfs/dbraw/zinc/23/15/23/197231523.db2.gz IDEMNEPCDUVNBP-AWEZNQCLSA-N 0 0 307.390 2.137 10 30 DEEERN N#Cc1cccnc1N1CCN(C(=O)Nc2ccsc2)CC1 ZINC000157478779 197190662 /nfs/dbraw/zinc/19/06/62/197190662.db2.gz IIPYVMPABDOYHE-UHFFFAOYSA-N 0 0 313.386 2.369 10 30 DEEERN N#Cc1cccc(S(=O)(=O)CCN2Cc3ccccc3C2)c1 ZINC000156730679 197136983 /nfs/dbraw/zinc/13/69/83/197136983.db2.gz SEZNPEXGNYHFHS-UHFFFAOYSA-N 0 0 312.394 2.348 10 30 DEEERN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@@H]1c1ccco1 ZINC000407954369 533141494 /nfs/dbraw/zinc/14/14/94/533141494.db2.gz GJMHEOSRONIBNC-QWHCGFSZSA-N 0 0 311.407 2.143 10 30 DEEERN CC[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1nccs1 ZINC000120339785 195146295 /nfs/dbraw/zinc/14/62/95/195146295.db2.gz ALIOTXQZBFHLCT-LBPRGKRZSA-N 0 0 314.370 2.221 10 30 DEEERN O=C(NCc1ccc(C#CCCO)s1)[C@H]1CCCCS1 ZINC000156275838 197100576 /nfs/dbraw/zinc/10/05/76/197100576.db2.gz RAOKBPXWCZIGTR-CQSZACIVSA-N 0 0 309.456 2.384 10 30 DEEERN O=C(NC[C@H]1CCCS1)c1ccc(C#CCCO)c(F)c1 ZINC000155933521 197075645 /nfs/dbraw/zinc/07/56/45/197075645.db2.gz XVFAHRWTMPSMJZ-CQSZACIVSA-N 0 0 307.390 2.185 10 30 DEEERN N#CC1(NC(=O)CCCc2ccc(F)c(F)c2)CCOCC1 ZINC000155107659 197022179 /nfs/dbraw/zinc/02/21/79/197022179.db2.gz PWULIHBZNVDPIJ-UHFFFAOYSA-N 0 0 308.328 2.476 10 30 DEEERN CCOC(=O)[C@@]1(C)CCN(c2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000154898598 197003688 /nfs/dbraw/zinc/00/36/88/197003688.db2.gz AEVXYGFVUDYSLI-HNNXBMFYSA-N 0 0 303.318 2.246 10 30 DEEERN CC(C)N(CCc1nccs1)C(=O)c1cc(C#N)cn1C ZINC000152828538 196826803 /nfs/dbraw/zinc/82/68/03/196826803.db2.gz HPJVNFYXZZZPSN-UHFFFAOYSA-N 0 0 302.403 2.447 10 30 DEEERN CCOC(=O)CN(CC(=O)Nc1cccc(C#N)c1)C(C)(C)C ZINC000152097792 196771342 /nfs/dbraw/zinc/77/13/42/196771342.db2.gz TVMFIARMEAVLBG-UHFFFAOYSA-N 0 0 317.389 2.160 10 30 DEEERN CCNc1ccc(C#N)cc1NC(=O)c1cn2cccnc2n1 ZINC000560591909 291942270 /nfs/dbraw/zinc/94/22/70/291942270.db2.gz RFOGZQFUJQNGGB-UHFFFAOYSA-N 0 0 306.329 2.285 10 30 DEEERN C#C[C@]1(O)CC[C@@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]21C ZINC000256456132 257103701 /nfs/dbraw/zinc/10/37/01/257103701.db2.gz RONQVEAZNZIVHW-SMYUGJJSSA-N 0 0 314.425 2.463 10 30 DEEERN N#Cc1ccc(NC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)cc1 ZINC000121790307 195348624 /nfs/dbraw/zinc/34/86/24/195348624.db2.gz ISCCONGXZWTYRW-UHFFFAOYSA-N 0 0 323.396 2.438 10 30 DEEERN N#Cc1ccc(OCCNC(=O)[C@H]2OCCc3ccccc32)cc1 ZINC000123084706 195541594 /nfs/dbraw/zinc/54/15/94/195541594.db2.gz CVBIZCQGQWWAHR-SFHVURJKSA-N 0 0 322.364 2.367 10 30 DEEERN C[C@]1(CNC(=O)c2ccc(C#CCO)cc2F)CCCS1 ZINC000124569354 195655373 /nfs/dbraw/zinc/65/53/73/195655373.db2.gz XUBNEKZWONINOV-MRXNPFEDSA-N 0 0 307.390 2.185 10 30 DEEERN Cn1cc(C(=O)Nc2ccc(Cl)cc2C#CCCO)cn1 ZINC000125218845 195723783 /nfs/dbraw/zinc/72/37/83/195723783.db2.gz WFWHXZCGIKLBDH-UHFFFAOYSA-N 0 0 303.749 2.060 10 30 DEEERN C#CC[C@@H](C)NC(=O)c1csc(I)c1 ZINC000127718345 195904376 /nfs/dbraw/zinc/90/43/76/195904376.db2.gz UYNUHYDQKNLPRZ-SSDOTTSWSA-N 0 0 319.167 2.494 10 30 DEEERN COc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000329959719 533248451 /nfs/dbraw/zinc/24/84/51/533248451.db2.gz NLKGUCZYTWMKMI-QXSJWSMHSA-N 0 0 302.374 2.221 10 30 DEEERN C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000190156706 533390870 /nfs/dbraw/zinc/39/08/70/533390870.db2.gz TVDNKQZQAPPDID-JTQLQIEISA-N 0 0 309.316 2.497 10 30 DEEERN Cc1cc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1F ZINC000369228042 533657540 /nfs/dbraw/zinc/65/75/40/533657540.db2.gz CEXAACFFUSJJDQ-OAHLLOKOSA-N 0 0 316.380 2.016 10 30 DEEERN CCOCc1nc([C@@H](C)NC(=O)c2ccc(F)c(C#N)c2)no1 ZINC000362152878 133214260 /nfs/dbraw/zinc/21/42/60/133214260.db2.gz DCVKUUGZDFRADG-SECBINFHSA-N 0 0 318.308 2.108 10 30 DEEERN CCc1nn(C)cc1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000362654647 133243412 /nfs/dbraw/zinc/24/34/12/133243412.db2.gz ZOHGVBQLFJYJNO-KRWDZBQOSA-N 0 0 324.384 2.068 10 30 DEEERN O=C(C[C@H]1CCOC1)NCc1ccc(CN2CCOCC2)cc1 ZINC000329864453 404476542 /nfs/dbraw/zinc/47/65/42/404476542.db2.gz ZQOYJAOAWMXJCA-QGZVFWFLSA-N 0 0 318.417 2.402 10 30 DEEERN COc1cc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1F ZINC000364626815 404476942 /nfs/dbraw/zinc/47/69/42/404476942.db2.gz CXEXISGRTXGWAJ-ZDUSSCGKSA-N 0 0 318.352 2.038 10 30 DEEERN CC(C)(C)c1nnc(CNC(=O)N[C@@H]2CCCC[C@@H]2O)s1 ZINC000329873644 404479968 /nfs/dbraw/zinc/47/99/68/404479968.db2.gz DZGFXSMKFCGQSB-ZJUUUORDSA-N 0 0 312.439 2.143 10 30 DEEERN N#Cc1cc(NC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)ccc1F ZINC000172488135 144821785 /nfs/dbraw/zinc/82/17/85/144821785.db2.gz PYXWPJUQIHTBCY-HOTGVXAUSA-N 0 0 311.316 2.477 10 30 DEEERN CNC(=O)COc1ccc(OCc2ccc(C#N)c(F)c2)cc1 ZINC000190085884 145037612 /nfs/dbraw/zinc/03/76/12/145037612.db2.gz NJLASSQHOKNGPX-UHFFFAOYSA-N 0 0 314.316 2.401 10 30 DEEERN CN(C)C(=O)CCCC[S@](=O)Cc1ccc(C#N)c(F)c1 ZINC000190824359 145049062 /nfs/dbraw/zinc/04/90/62/145049062.db2.gz XLTLFBLYZWBJQQ-NRFANRHFSA-N 0 0 310.394 2.205 10 30 DEEERN N#Cc1cc(C(=O)NCCCc2nc3ccccc3[nH]2)ccn1 ZINC000192461994 145073914 /nfs/dbraw/zinc/07/39/14/145073914.db2.gz FVEJTLZSLFDBDJ-UHFFFAOYSA-N 0 0 305.341 2.192 10 30 DEEERN N#Cc1cc(C(=O)NCc2ccccc2Cn2cccn2)ccn1 ZINC000192455895 145073993 /nfs/dbraw/zinc/07/39/93/145073993.db2.gz UYNGWGJULIITHW-UHFFFAOYSA-N 0 0 317.352 2.128 10 30 DEEERN CCn1nc(C)c([N+](=O)[O-])c1NCCOc1ccc(C#N)cc1 ZINC000192626483 145076593 /nfs/dbraw/zinc/07/65/93/145076593.db2.gz AAOJMTJWCDMLNE-UHFFFAOYSA-N 0 0 315.333 2.482 10 30 DEEERN CCOc1cc(CNC(=O)c2ccnc(C#N)c2)ccc1OC ZINC000193267701 145084629 /nfs/dbraw/zinc/08/46/29/145084629.db2.gz FHFSUBQKVZMZLP-UHFFFAOYSA-N 0 0 311.341 2.291 10 30 DEEERN N#Cc1cc(C(=O)N(CCc2ccccc2)[C@H]2CCOC2)ccn1 ZINC000193477532 145086325 /nfs/dbraw/zinc/08/63/25/145086325.db2.gz XMCBUPXOVCAJMK-SFHVURJKSA-N 0 0 321.380 2.427 10 30 DEEERN N#Cc1cc(C(=O)Nc2c[nH]cc(Br)c2=O)ccn1 ZINC000193702988 145088911 /nfs/dbraw/zinc/08/89/11/145088911.db2.gz DXZYCKDRDGTCNM-UHFFFAOYSA-N 0 0 319.118 2.069 10 30 DEEERN Cn1cnc(-c2cccc(NC(=O)c3ccnc(C#N)c3)c2)n1 ZINC000193794291 145090356 /nfs/dbraw/zinc/09/03/56/145090356.db2.gz CQEAGPSQQCNRCN-UHFFFAOYSA-N 0 0 304.313 2.001 10 30 DEEERN C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)C[C@H]1N1CCOCC1 ZINC000248554739 145158767 /nfs/dbraw/zinc/15/87/67/145158767.db2.gz KCBVNFXHSPHIQF-CXAGYDPISA-N 0 0 319.836 2.364 10 30 DEEERN C[C@@H](C(=O)N1CCC=C(c2ccccc2)C1)n1cnc(C#N)n1 ZINC000551685245 285900694 /nfs/dbraw/zinc/90/06/94/285900694.db2.gz PSOSXNZOMLVBKM-ZDUSSCGKSA-N 0 0 307.357 2.027 10 30 DEEERN C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(C#N)cc1F ZINC000359029603 147249546 /nfs/dbraw/zinc/24/95/46/147249546.db2.gz NZGRGLUXMZLGIK-NSHDSACASA-N 0 0 310.394 2.315 10 30 DEEERN CC(=O)c1cc2c(cc1NC(=O)c1ccc(C#N)nc1)OCO2 ZINC000359441976 147328555 /nfs/dbraw/zinc/32/85/55/147328555.db2.gz RBLLOMHYEKFHST-UHFFFAOYSA-N 0 0 309.281 2.137 10 30 DEEERN N#Cc1ccc(C(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375567348 148387284 /nfs/dbraw/zinc/38/72/84/148387284.db2.gz URZLIOPUJMYWDA-CQSZACIVSA-N 0 0 308.341 2.448 10 30 DEEERN CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1cc(C#N)cn1C ZINC000127126026 401721458 /nfs/dbraw/zinc/72/14/58/401721458.db2.gz ZGXUYIDMAZMBMZ-UHFFFAOYSA-N 0 0 305.378 2.089 10 30 DEEERN CSCCCNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000128698811 401788345 /nfs/dbraw/zinc/78/83/45/401788345.db2.gz HQLVTFFJUFXUKU-UHFFFAOYSA-N 0 0 304.824 2.243 10 30 DEEERN CC(C)(C)CC(=O)N1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000025293743 401832601 /nfs/dbraw/zinc/83/26/01/401832601.db2.gz NPTQCHKCBGNZNM-UHFFFAOYSA-N 0 0 313.401 2.279 10 30 DEEERN N#C[C@@H](NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1)C1CC1 ZINC000130452246 401832701 /nfs/dbraw/zinc/83/27/01/401832701.db2.gz QRLVPDITLZPJAG-CQSZACIVSA-N 0 0 309.325 2.308 10 30 DEEERN N#Cc1ccc(NC(NCc2ccccc2)=[NH+]CC(=O)[O-])cc1 ZINC000026570462 401841823 /nfs/dbraw/zinc/84/18/23/401841823.db2.gz QSVUQBSLORKCRJ-UHFFFAOYSA-N 0 0 308.341 2.010 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000119266352 401937232 /nfs/dbraw/zinc/93/72/32/401937232.db2.gz PUXJSVLEBNGUAJ-CQSZACIVSA-N 0 0 310.357 2.352 10 30 DEEERN C=CCCCN(C)C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)OC ZINC000135078804 401926062 /nfs/dbraw/zinc/92/60/62/401926062.db2.gz XETZDRGRALFHOD-UHFFFAOYSA-N 0 0 320.389 2.279 10 30 DEEERN COC(=O)C1(N(C)Cc2ccc(OC)c(C#N)c2)CCCC1 ZINC000135213985 401930722 /nfs/dbraw/zinc/93/07/22/401930722.db2.gz JSBVEODAZRXMGN-UHFFFAOYSA-N 0 0 302.374 2.484 10 30 DEEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CC=C(c2cccs2)CC1 ZINC000117893217 401887342 /nfs/dbraw/zinc/88/73/42/401887342.db2.gz XRDCMCKWBAXQNS-GFCCVEGCSA-N 0 0 319.430 2.238 10 30 DEEERN C=CCNC(=O)N1CCC(Nc2cccc(C(=O)OC)c2)CC1 ZINC000119552602 401958377 /nfs/dbraw/zinc/95/83/77/401958377.db2.gz WSBVTCJBOHPETQ-UHFFFAOYSA-N 0 0 317.389 2.245 10 30 DEEERN CCOC(=O)CC[C@H](C)NC(=O)NCc1ccc(C#N)cc1 ZINC000089889558 401970865 /nfs/dbraw/zinc/97/08/65/401970865.db2.gz DGRCCAYWAFBZBO-LBPRGKRZSA-N 0 0 303.362 2.089 10 30 DEEERN CC(C)C[C@@H](CNC(=O)c1sccc1C#N)N1CCOCC1 ZINC000052034400 402038842 /nfs/dbraw/zinc/03/88/42/402038842.db2.gz QTEDSSRWPGEHQP-AWEZNQCLSA-N 0 0 321.446 2.096 10 30 DEEERN Cc1nc(CN2CCCN(c3cccc(C#N)n3)CC2)cs1 ZINC000122861147 402098204 /nfs/dbraw/zinc/09/82/04/402098204.db2.gz WJEZLUZVEBKZFE-UHFFFAOYSA-N 0 0 313.430 2.431 10 30 DEEERN C#CCCNC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000364658601 404490175 /nfs/dbraw/zinc/49/01/75/404490175.db2.gz MOLKLCHWBUHVIB-ZDUSSCGKSA-N 0 0 309.410 2.099 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N(CCO)Cc1ccccc1 ZINC000097206350 402118323 /nfs/dbraw/zinc/11/83/23/402118323.db2.gz RVTGVOWEAWKPKT-HNNXBMFYSA-N 0 0 324.380 2.347 10 30 DEEERN C=CCOc1cccc(CN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000122204538 402066401 /nfs/dbraw/zinc/06/64/01/402066401.db2.gz QSWOKYHMOBKPTF-GOSISDBHSA-N 0 0 313.401 2.349 10 30 DEEERN Cc1ccc(N2C[C@@H](C(=O)N[C@](C)(C#N)C(C)C)CC2=O)cc1 ZINC000122214708 402066974 /nfs/dbraw/zinc/06/69/74/402066974.db2.gz VCHROTKBYYEKPE-KBXCAEBGSA-N 0 0 313.401 2.402 10 30 DEEERN COc1ccc(CN2C(=O)N[C@@](C)(C(C)C)C2=O)cc1C#N ZINC000153073436 402125259 /nfs/dbraw/zinc/12/52/59/402125259.db2.gz OPEYMHWQQYINKA-INIZCTEOSA-N 0 0 301.346 2.033 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000124707487 402192788 /nfs/dbraw/zinc/19/27/88/402192788.db2.gz LCSSIISWXRFOHS-UHFFFAOYSA-N 0 0 304.313 2.095 10 30 DEEERN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C#N)cn3)CC2=O)cc1 ZINC000103929652 402195146 /nfs/dbraw/zinc/19/51/46/402195146.db2.gz FLWROYHGWBUQQP-AWEZNQCLSA-N 0 0 320.352 2.253 10 30 DEEERN C=CCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000102346699 402165310 /nfs/dbraw/zinc/16/53/10/402165310.db2.gz GGXMRKGSKMXLFF-AWEZNQCLSA-N 0 0 315.398 2.364 10 30 DEEERN COc1ccc(CCNS(=O)(=O)CCCC#N)c(Cl)c1 ZINC000125286118 402223742 /nfs/dbraw/zinc/22/37/42/402223742.db2.gz QPEUABODMUHEKD-UHFFFAOYSA-N 0 0 316.810 2.114 10 30 DEEERN C#CCCCCNC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000155059115 402243797 /nfs/dbraw/zinc/24/37/97/402243797.db2.gz LHMDMTMBGPYCJD-MRXNPFEDSA-N 0 0 313.401 2.237 10 30 DEEERN C=C(C)COCCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000125807993 402251179 /nfs/dbraw/zinc/25/11/79/402251179.db2.gz DSSOTFNOFZYWNR-UHFFFAOYSA-N 0 0 319.361 2.255 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]1Cn1cccn1 ZINC000069973830 402253517 /nfs/dbraw/zinc/25/35/17/402253517.db2.gz QXJRCWWATPDVPJ-ZBFHGGJFSA-N 0 0 324.384 2.213 10 30 DEEERN N#C[C@@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)C1CC1 ZINC000108829658 402262452 /nfs/dbraw/zinc/26/24/52/402262452.db2.gz RFCHAHRVGPRKMS-OAHLLOKOSA-N 0 0 306.369 2.393 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000184563769 402276660 /nfs/dbraw/zinc/27/66/60/402276660.db2.gz QICGLSOSMNSRTB-AWEZNQCLSA-N 0 0 316.401 2.279 10 30 DEEERN N#CCCn1ccc(NC(=O)NCCc2cc(F)ccc2F)n1 ZINC000176359895 402302704 /nfs/dbraw/zinc/30/27/04/402302704.db2.gz QRKGUAJULJVUMB-UHFFFAOYSA-N 0 0 319.315 2.439 10 30 DEEERN Cc1ccc([C@@H](CNC(=O)C(C)(C)C#N)N2CCOCC2)s1 ZINC000176566710 402320062 /nfs/dbraw/zinc/32/00/62/402320062.db2.gz YOJWZIXKYBUHPU-CYBMUJFWSA-N 0 0 321.446 2.096 10 30 DEEERN CC[C@H](C#N)NS(=O)(=O)C1=Cc2cc(OC)ccc2CC1 ZINC000185610924 402364965 /nfs/dbraw/zinc/36/49/65/402364965.db2.gz WYTRJNVTBOBHNC-CYBMUJFWSA-N 0 0 306.387 2.204 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000185789603 402376899 /nfs/dbraw/zinc/37/68/99/402376899.db2.gz BQRHQIXUTPNCCK-AWEZNQCLSA-N 0 0 314.341 2.199 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(OCC(C)C)c(OC)c1 ZINC000185832315 402381178 /nfs/dbraw/zinc/38/11/78/402381178.db2.gz ZTUGGAOJMGLKFL-AWEZNQCLSA-N 0 0 307.390 2.397 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCCOc1cccc(C(C)=O)c1 ZINC000185853350 402382857 /nfs/dbraw/zinc/38/28/57/402382857.db2.gz BGQZBSWYSQHMJB-HNNXBMFYSA-N 0 0 305.374 2.101 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(Cl)ccc1OCCOC ZINC000185918306 402389204 /nfs/dbraw/zinc/38/92/04/402389204.db2.gz CWYHAPJJPUFVKU-LBPRGKRZSA-N 0 0 313.781 2.032 10 30 DEEERN N#C[C@@H](NC(=O)[C@@H](c1ccccc1)N1CCSCC1)C1CC1 ZINC000161829776 402400800 /nfs/dbraw/zinc/40/08/00/402400800.db2.gz XTLJWWOZARAXIF-HZPDHXFCSA-N 0 0 315.442 2.195 10 30 DEEERN Cc1nnc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)c(C#N)c1C ZINC000186152118 402405788 /nfs/dbraw/zinc/40/57/88/402405788.db2.gz OVRMNDAFSSELSN-ZFWWWQNUSA-N 0 0 314.414 2.239 10 30 DEEERN C=CCOc1ccccc1C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000177680051 402425998 /nfs/dbraw/zinc/42/59/98/402425998.db2.gz QNSPFHWSRGFHRU-CQSZACIVSA-N 0 0 312.373 2.416 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000186396549 402428124 /nfs/dbraw/zinc/42/81/24/402428124.db2.gz OIMJFQKZUPVCKG-GXTWGEPZSA-N 0 0 307.350 2.282 10 30 DEEERN CC[C@H](CC#N)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000186435084 402430560 /nfs/dbraw/zinc/43/05/60/402430560.db2.gz RMCCZZUDVQGSDJ-MRVPVSSYSA-N 0 0 307.297 2.071 10 30 DEEERN COc1ccc(CSc2nnc(N)n2C2CC2)cc1C#N ZINC000162870804 402434407 /nfs/dbraw/zinc/43/44/07/402434407.db2.gz PHDQYSWUAUBTDY-UHFFFAOYSA-N 0 0 301.375 2.368 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1cc(C(=O)N(C)C)ccn1 ZINC000163166974 402443163 /nfs/dbraw/zinc/44/31/63/402443163.db2.gz NAHYYQOWFZOQMC-UHFFFAOYSA-N 0 0 308.341 2.216 10 30 DEEERN N#Cc1cc(F)c(C(=O)N2CC[C@@H]3OCCC[C@H]3C2)c(F)c1 ZINC000163229686 402445036 /nfs/dbraw/zinc/44/50/36/402445036.db2.gz NQIQMHAGOKBPJD-FZMZJTMJSA-N 0 0 306.312 2.478 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000185926908 402390190 /nfs/dbraw/zinc/39/01/90/402390190.db2.gz PKOSXXDZRIIEOK-MNOVXSKESA-N 0 0 318.381 2.270 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)NCCNC(=O)c1ccccc1 ZINC000178560811 402511980 /nfs/dbraw/zinc/51/19/80/402511980.db2.gz VCCZDVSYKNJDHX-UHFFFAOYSA-N 0 0 322.368 2.418 10 30 DEEERN CCC1(CC)CN(C(=O)c2cc(C#N)cs2)CC[S@@]1=O ZINC000186726662 402460128 /nfs/dbraw/zinc/46/01/28/402460128.db2.gz FDMFDFGLLMOODZ-FQEVSTJZSA-N 0 0 310.444 2.383 10 30 DEEERN C=CCNC(=O)[C@@H](C)N(C)Cc1csc([C@@H](C)OCC)n1 ZINC000245445126 402461178 /nfs/dbraw/zinc/46/11/78/402461178.db2.gz KCCHBWVYMPODFA-VXGBXAGGSA-N 0 0 311.451 2.363 10 30 DEEERN CCc1c(C(=O)N[C@H](C#N)C2CC2)cnn1-c1ccccc1OC ZINC000186872028 402468707 /nfs/dbraw/zinc/46/87/07/402468707.db2.gz AOUZXDNJCHDFND-CQSZACIVSA-N 0 0 324.384 2.475 10 30 DEEERN C[C@H](NS(=O)(=O)CCCCC#N)[C@@H]1COc2ccccc21 ZINC000167597821 402492359 /nfs/dbraw/zinc/49/23/59/402492359.db2.gz OQTJMHYWJSOQJY-JSGCOSHPSA-N 0 0 308.403 2.164 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000187307976 402493346 /nfs/dbraw/zinc/49/33/46/402493346.db2.gz XBKVBHDXEVTLPS-GXTWGEPZSA-N 0 0 302.374 2.399 10 30 DEEERN C=CCNc1ncc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)s1 ZINC000245903493 402495989 /nfs/dbraw/zinc/49/59/89/402495989.db2.gz ABTVPZKMXIMINL-VXGBXAGGSA-N 0 0 308.451 2.200 10 30 DEEERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cccc(F)c2C#N)C1 ZINC000187397300 402498507 /nfs/dbraw/zinc/49/85/07/402498507.db2.gz RBBDDUPLFBZLAR-LBPRGKRZSA-N 0 0 317.364 2.218 10 30 DEEERN C=CCCS(=O)(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000247239032 402561000 /nfs/dbraw/zinc/56/10/00/402561000.db2.gz YUMSGILXTOBRJR-DOMZBBRYSA-N 0 0 313.394 2.493 10 30 DEEERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@H](C)C#N ZINC000247580706 402572905 /nfs/dbraw/zinc/57/29/05/402572905.db2.gz LJPJJHQYPBEAIK-IPYPFGDCSA-N 0 0 301.390 2.107 10 30 DEEERN N#Cc1ncn(CC(=O)N(Cc2ccoc2)C2CCCCC2)n1 ZINC000178611596 402517234 /nfs/dbraw/zinc/51/72/34/402517234.db2.gz LGLLQLXPRPMVCE-UHFFFAOYSA-N 0 0 313.361 2.104 10 30 DEEERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc(F)c1C#N ZINC000188558524 402520818 /nfs/dbraw/zinc/52/08/18/402520818.db2.gz SFTMLGINFDIBPA-JTQLQIEISA-N 0 0 306.337 2.500 10 30 DEEERN N#Cc1ccc(SCC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000178654385 402522030 /nfs/dbraw/zinc/52/20/30/402522030.db2.gz LOUMJKSBZPDGRF-AEFFLSMTSA-N 0 0 324.405 2.425 10 30 DEEERN N#Cc1c(N[C@@H]2CCCN(c3ncccn3)C2)nc2ccccn21 ZINC000171277403 402573613 /nfs/dbraw/zinc/57/36/13/402573613.db2.gz ILWPVDGSBJKNCK-CYBMUJFWSA-N 0 0 319.372 2.077 10 30 DEEERN N#Cc1c(N[C@H]2CCCN(c3ncccn3)C2)nc2ccccn21 ZINC000171277408 402573616 /nfs/dbraw/zinc/57/36/16/402573616.db2.gz ILWPVDGSBJKNCK-ZDUSSCGKSA-N 0 0 319.372 2.077 10 30 DEEERN COC(=O)C1CCC(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000179513897 402592836 /nfs/dbraw/zinc/59/28/36/402592836.db2.gz LTWJUWLRUARZLQ-UHFFFAOYSA-N 0 0 318.348 2.293 10 30 DEEERN N#Cc1nccn1Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000179861374 402602446 /nfs/dbraw/zinc/60/24/46/402602446.db2.gz PQAPVJXJWQIKHU-UHFFFAOYSA-N 0 0 305.219 2.270 10 30 DEEERN N#Cc1nccn1Cc1cc2c(cc1Br)OCO2 ZINC000179879025 402602796 /nfs/dbraw/zinc/60/27/96/402602796.db2.gz GCZNFBVPYNYMNT-UHFFFAOYSA-N 0 0 306.119 2.294 10 30 DEEERN C[C@@H](c1cnn(C)c1)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000180357331 402613929 /nfs/dbraw/zinc/61/39/29/402613929.db2.gz KXOJLUQFENGZRB-AWEZNQCLSA-N 0 0 317.437 2.098 10 30 DEEERN Cc1cccc(N2C[C@@H](C(=O)N[C@@H](C#N)C3CC3)CC2=O)c1C ZINC000171723773 402615021 /nfs/dbraw/zinc/61/50/21/402615021.db2.gz VPXZRUMEJDJQIJ-GJZGRUSLSA-N 0 0 311.385 2.075 10 30 DEEERN CN(CC1CC(O)C1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000191028661 402637419 /nfs/dbraw/zinc/63/74/19/402637419.db2.gz HBXJUWVVOXRKRA-UHFFFAOYSA-N 0 0 304.394 2.349 10 30 DEEERN N#CC1(c2ccc(C(=O)N3CCC[C@H](n4cncn4)C3)cc2)CC1 ZINC000181515188 402648029 /nfs/dbraw/zinc/64/80/29/402648029.db2.gz XTLQAMNQDDXEIF-INIZCTEOSA-N 0 0 321.384 2.311 10 30 DEEERN C#CCCOc1ccc(CNc2nc(-c3nccn3C)no2)cc1 ZINC000181527833 402648407 /nfs/dbraw/zinc/64/84/07/402648407.db2.gz GTWNTEDBWXKTQJ-UHFFFAOYSA-N 0 0 323.356 2.484 10 30 DEEERN COc1ccc(O)c(C(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000173890718 402717356 /nfs/dbraw/zinc/71/73/56/402717356.db2.gz AAFCZZRAMGZIPG-UHFFFAOYSA-N 0 0 312.325 2.081 10 30 DEEERN N#CC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000181964953 402662327 /nfs/dbraw/zinc/66/23/27/402662327.db2.gz PFLONVCYCOTFRM-UHFFFAOYSA-N 0 0 319.308 2.025 10 30 DEEERN C[C@@H](CC#N)N(C)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181986075 402662892 /nfs/dbraw/zinc/66/28/92/402662892.db2.gz HYLLHFYDIGYQPE-QMMMGPOBSA-N 0 0 307.297 2.023 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NCC(F)(F)C(F)F ZINC000191377877 402665105 /nfs/dbraw/zinc/66/51/05/402665105.db2.gz PSPBKUJLWSZUDU-QMMMGPOBSA-N 0 0 304.243 2.342 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCN(CC)c1ccccc1C ZINC000183077825 402737245 /nfs/dbraw/zinc/73/72/45/402737245.db2.gz CPWAFDKIORBJTR-HNNXBMFYSA-N 0 0 305.422 2.058 10 30 DEEERN Cc1nc(C2CCCC2)sc1C(=O)N1CCN(CC#N)CC1 ZINC000174355877 402737996 /nfs/dbraw/zinc/73/79/96/402737996.db2.gz DEPMAUAFHHVZIJ-UHFFFAOYSA-N 0 0 318.446 2.391 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCCO[C@@H](C)c1ccccc1 ZINC000182871110 402723323 /nfs/dbraw/zinc/72/33/23/402723323.db2.gz JEIHXOHDSJTDLP-HOCLYGCPSA-N 0 0 306.406 2.391 10 30 DEEERN N#Cc1ccc(OCCNC(=O)CCc2ccc(O)cc2)cc1 ZINC000183950410 402807720 /nfs/dbraw/zinc/80/77/20/402807720.db2.gz UQWOELQZEVHGHH-UHFFFAOYSA-N 0 0 310.353 2.392 10 30 DEEERN COc1ccc(Cn2ccnc2C(=O)c2cccnc2)cc1C#N ZINC000194700111 402811276 /nfs/dbraw/zinc/81/12/76/402811276.db2.gz TUBFYNNQEAGVAN-UHFFFAOYSA-N 0 0 318.336 2.438 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2n[nH]nc2c1 ZINC000175834748 402836841 /nfs/dbraw/zinc/83/68/41/402836841.db2.gz VMPQPHOUIXYCDI-JTQLQIEISA-N 0 0 307.313 2.236 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)c2ccnc(Cl)c2)cn1 ZINC000183644595 402784783 /nfs/dbraw/zinc/78/47/83/402784783.db2.gz VUHNUJGZROPQQQ-UHFFFAOYSA-N 0 0 324.731 2.440 10 30 DEEERN CC(Cl)(Cl)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183674114 402787844 /nfs/dbraw/zinc/78/78/44/402787844.db2.gz DYDQONGHEBRUIX-UHFFFAOYSA-N 0 0 310.144 2.271 10 30 DEEERN Cn1nccc1C1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000195503774 402848300 /nfs/dbraw/zinc/84/83/00/402848300.db2.gz QPMBGGVNNRERPI-UHFFFAOYSA-N 0 0 323.400 2.110 10 30 DEEERN C=CCC[C@@H](C(=O)N1CC[C@]2(CNC(=O)C2)C1)c1ccccc1 ZINC000278878597 402881158 /nfs/dbraw/zinc/88/11/58/402881158.db2.gz CSPMIQARVYZAHG-APWZRJJASA-N 0 0 312.413 2.475 10 30 DEEERN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000278906539 402884254 /nfs/dbraw/zinc/88/42/54/402884254.db2.gz YXLPIPJOKRIYJS-UAGQMJEPSA-N 0 0 324.371 2.153 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)NCCCN1CCCC1=O ZINC000272201769 402909042 /nfs/dbraw/zinc/90/90/42/402909042.db2.gz MPYWNVKCHWBZNA-UHFFFAOYSA-N 0 0 319.405 2.032 10 30 DEEERN C=C(Cl)CNC(=O)NCc1c(OC)cc(OC)cc1OC ZINC000265468769 402921707 /nfs/dbraw/zinc/92/17/07/402921707.db2.gz JISYBSDZYSMHNX-UHFFFAOYSA-N 0 0 314.769 2.264 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1csc(Br)c1 ZINC000273389574 403000279 /nfs/dbraw/zinc/00/02/79/403000279.db2.gz ZZGSEAXJPNGHLO-SECBINFHSA-N 0 0 319.224 2.247 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1c(C)nc(C(C)(C)C)nc1SC ZINC000273572697 403016064 /nfs/dbraw/zinc/01/60/64/403016064.db2.gz LBLMJZCQDUHDKR-LLVKDONJSA-N 0 0 323.462 2.471 10 30 DEEERN C=C(C)CS(=O)(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000280641427 403022436 /nfs/dbraw/zinc/02/24/36/403022436.db2.gz UZRXUKBXVCMJHI-DOMZBBRYSA-N 0 0 313.394 2.493 10 30 DEEERN C=CCc1ccc(OS(=O)(=O)c2ccnn2CC)c(OC)c1 ZINC000274487425 403060479 /nfs/dbraw/zinc/06/04/79/403060479.db2.gz PFICXQUGUDPGQA-UHFFFAOYSA-N 0 0 322.386 2.408 10 30 DEEERN Cn1cc([C@]2(C)CN(c3ccc(C#N)cc3F)CCO2)cn1 ZINC000268388296 403078988 /nfs/dbraw/zinc/07/89/88/403078988.db2.gz LKMPXAMLILVKAJ-INIZCTEOSA-N 0 0 300.337 2.183 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000281834333 403096478 /nfs/dbraw/zinc/09/64/78/403096478.db2.gz KAVIRXGBWAJJSA-UHFFFAOYSA-N 0 0 316.810 2.026 10 30 DEEERN C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)c1ccnc(C#N)c1 ZINC000285438327 403296690 /nfs/dbraw/zinc/29/66/90/403296690.db2.gz ISOGYEXHRMNCQU-JZXOWHBKSA-N 0 0 313.401 2.499 10 30 DEEERN C=CC[C@H]1N(C(=O)CNC(=O)c2ccccn2)CCCC1(C)C ZINC000277883378 403267238 /nfs/dbraw/zinc/26/72/38/403267238.db2.gz FFWZUKSTEGTRTF-OAHLLOKOSA-N 0 0 315.417 2.405 10 30 DEEERN C=CC[C@@H]1N(C(=O)CNC(=O)c2ccccn2)CCCC1(C)C ZINC000277883375 403267255 /nfs/dbraw/zinc/26/72/55/403267255.db2.gz FFWZUKSTEGTRTF-HNNXBMFYSA-N 0 0 315.417 2.405 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccc2ncccc2c1 ZINC000285358770 403281202 /nfs/dbraw/zinc/28/12/02/403281202.db2.gz WMJZMIWDNOMKSU-UHFFFAOYSA-N 0 0 311.385 2.276 10 30 DEEERN C=CCCN(C)CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000342730781 403325041 /nfs/dbraw/zinc/32/50/41/403325041.db2.gz ABNKJBPBIVFJDX-UHFFFAOYSA-N 0 0 301.390 2.258 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(CCC)CCc1ccccn1 ZINC000298225431 403335192 /nfs/dbraw/zinc/33/51/92/403335192.db2.gz APRPWMWLBSJZST-UHFFFAOYSA-N 0 0 317.433 2.287 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1n[nH]cc1Br ZINC000298559396 403414212 /nfs/dbraw/zinc/41/42/12/403414212.db2.gz ZBFFNSLIRUJNGB-VXNVDRBHSA-N 0 0 300.156 2.092 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C1(Cc2cccc(F)c2)CCOCC1 ZINC000293364512 403453179 /nfs/dbraw/zinc/45/31/79/403453179.db2.gz BZIJEPJXBBWZAS-INIZCTEOSA-N 0 0 321.392 2.218 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000287120233 403554955 /nfs/dbraw/zinc/55/49/55/403554955.db2.gz GBRFGXCTPDSUMZ-CQSZACIVSA-N 0 0 324.380 2.483 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(C)=O ZINC000287185264 403556254 /nfs/dbraw/zinc/55/62/54/403556254.db2.gz HMQCZDMQCLPIDC-ROUUACIJSA-N 0 0 314.429 2.288 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCc1ccc(OC)c(F)c1 ZINC000345817168 403496194 /nfs/dbraw/zinc/49/61/94/403496194.db2.gz ORHCDVHRYFMPEY-BBRMVZONSA-N 0 0 307.365 2.474 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](CC)N1CCCC1=O ZINC000286416755 403521068 /nfs/dbraw/zinc/52/10/68/403521068.db2.gz BBRZVPAMVHIUPQ-IRXDYDNUSA-N 0 0 312.413 2.138 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)[C@H](CO)SC ZINC000287286167 403567915 /nfs/dbraw/zinc/56/79/15/403567915.db2.gz CEPZKFRTTUBDME-BMFZPTHFSA-N 0 0 320.458 2.033 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCCO1 ZINC000287327915 403576215 /nfs/dbraw/zinc/57/62/15/403576215.db2.gz KJAQXTSGOBBYQN-SJORKVTESA-N 0 0 300.402 2.441 10 30 DEEERN N#Cc1ccc(NC[C@@H]2CC(=O)N(CCc3ccccc3)C2)nc1 ZINC000301591456 403651645 /nfs/dbraw/zinc/65/16/45/403651645.db2.gz YFDKRJXUXIMWCW-KRWDZBQOSA-N 0 0 320.396 2.456 10 30 DEEERN C=C(C)CN(C)c1ncc(C(=O)N2CCOCC2)cc1Cl ZINC000302034004 403706600 /nfs/dbraw/zinc/70/66/00/403706600.db2.gz LDSDJMBGDCKDQO-UHFFFAOYSA-N 0 0 309.797 2.220 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCC(C)(C)CCO ZINC000288150590 403734441 /nfs/dbraw/zinc/73/44/41/403734441.db2.gz MDUFZJJHWVQIQS-INIZCTEOSA-N 0 0 302.418 2.329 10 30 DEEERN N#Cc1cnc(N2CCC(O)(c3ccccc3Cl)CC2)cn1 ZINC000302863977 403735723 /nfs/dbraw/zinc/73/57/23/403735723.db2.gz XHCWUAOVOGAEQZ-UHFFFAOYSA-N 0 0 314.776 2.490 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(C2CC2)CC1 ZINC000288187764 403740556 /nfs/dbraw/zinc/74/05/56/403740556.db2.gz OQJCUSHEHVJGBS-QGZVFWFLSA-N 0 0 311.429 2.111 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](O)C(C)(C)C1 ZINC000288238059 403742722 /nfs/dbraw/zinc/74/27/22/403742722.db2.gz SAZFPJMPQWNDMF-IRXDYDNUSA-N 0 0 314.429 2.423 10 30 DEEERN C=CCN1CCC(NS(=O)(=O)Cc2ccc(C)c(C)c2)CC1 ZINC000288236304 403742731 /nfs/dbraw/zinc/74/27/31/403742731.db2.gz FUOBUGPTSQCWHB-UHFFFAOYSA-N 0 0 322.474 2.373 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[C@H]1O ZINC000288238319 403743050 /nfs/dbraw/zinc/74/30/50/403743050.db2.gz SBZAMPAVAJDWNR-GVDBMIGSSA-N 0 0 300.402 2.081 10 30 DEEERN C=CCC[C@H](O)CN1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000305055595 403813102 /nfs/dbraw/zinc/81/31/02/403813102.db2.gz FAILKYPBFSGHOH-AWEZNQCLSA-N 0 0 324.371 2.050 10 30 DEEERN Cc1cc(S(=O)(=O)NC(C)(C)C(F)(F)F)ccc1C#N ZINC000295154930 403777767 /nfs/dbraw/zinc/77/77/67/403777767.db2.gz CHUJVFOTFYWVEL-UHFFFAOYSA-N 0 0 306.309 2.486 10 30 DEEERN C=CCCO[C@H](C)C(=O)N(CCOC)Cc1scnc1C ZINC000347662754 403796236 /nfs/dbraw/zinc/79/62/36/403796236.db2.gz FYENGIZQASHPRH-CYBMUJFWSA-N 0 0 312.435 2.408 10 30 DEEERN C#CCO[C@@H](C)C(=O)N[C@@H](CC(=O)OCC)c1ccccc1C ZINC000295303453 403843891 /nfs/dbraw/zinc/84/38/91/403843891.db2.gz NRSOGCKNBQIYTP-HOCLYGCPSA-N 0 0 317.385 2.144 10 30 DEEERN N#Cc1cc2c(nc1NC(=O)c1cnn3cccnc13)CCCC2 ZINC000361891696 403907810 /nfs/dbraw/zinc/90/78/10/403907810.db2.gz YANNDNREVWIYPJ-UHFFFAOYSA-N 0 0 318.340 2.127 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@H]2CC23CCCCC3)CCN1C1CC1 ZINC000361990467 403915701 /nfs/dbraw/zinc/91/57/01/403915701.db2.gz JNTYLYRTGRIWCU-CABCVRRESA-N 0 0 302.422 2.091 10 30 DEEERN N#C[C@H]1CCC[C@H]1NS(=O)(=O)CCCOCc1ccccc1 ZINC000336725382 403916909 /nfs/dbraw/zinc/91/69/09/403916909.db2.gz YJUZVHKEIDXIEC-HZPDHXFCSA-N 0 0 322.430 2.205 10 30 DEEERN C#Cc1ccc(CNC(=O)[C@H]2CCCN2CC(F)(F)F)cc1 ZINC000295444134 403927083 /nfs/dbraw/zinc/92/70/83/403927083.db2.gz LQFMGWQDBWTMOH-CQSZACIVSA-N 0 0 310.319 2.311 10 30 DEEERN C=CCC(F)(F)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000295446730 403929321 /nfs/dbraw/zinc/92/93/21/403929321.db2.gz UXHUEXMVAUSCGC-GFCCVEGCSA-N 0 0 312.364 2.025 10 30 DEEERN C#CCSCCNC(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000362335427 403944684 /nfs/dbraw/zinc/94/46/84/403944684.db2.gz LAHZWYAUAOKBHO-HOTGVXAUSA-N 0 0 318.442 2.430 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1nn(C)cc1C ZINC000411712985 403947666 /nfs/dbraw/zinc/94/76/66/403947666.db2.gz VKEPFZSFPRJBSR-UHFFFAOYSA-N 0 0 314.345 2.465 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cc(COC)ccc1OC ZINC000351925472 404011284 /nfs/dbraw/zinc/01/12/84/404011284.db2.gz DEVZAPLCPMAWJX-UHFFFAOYSA-N 0 0 313.419 2.428 10 30 DEEERN CC[N@@H+]1CCN(c2ncc(Br)cc2C#N)C[C@H]1C ZINC000310943940 403968499 /nfs/dbraw/zinc/96/84/99/403968499.db2.gz WYUOAYJLQAMQLI-SNVBAGLBSA-N 0 0 309.211 2.246 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C(=O)OCC)n(C)c1 ZINC000362608202 403972854 /nfs/dbraw/zinc/97/28/54/403972854.db2.gz IDXWYTQBPHUYPV-JSGCOSHPSA-N 0 0 306.362 2.122 10 30 DEEERN C#Cc1ccc(CNC(=O)c2ccnc(O[C@H]3CCOC3)c2)cc1 ZINC000295532496 403974624 /nfs/dbraw/zinc/97/46/24/403974624.db2.gz RKSLCXJBIYIQBA-KRWDZBQOSA-N 0 0 322.364 2.161 10 30 DEEERN N#Cc1ccccc1CN1CCn2c(nnc2-c2cccnc2)C1 ZINC000369442264 404094422 /nfs/dbraw/zinc/09/44/22/404094422.db2.gz LCUWPLBBJOEEBR-UHFFFAOYSA-N 0 0 316.368 2.228 10 30 DEEERN C#CCCOc1ccc(C(=O)NCCc2cccnc2OC)cc1 ZINC000296051615 404070118 /nfs/dbraw/zinc/07/01/18/404070118.db2.gz NSBRRHYFZNLACR-UHFFFAOYSA-N 0 0 324.380 2.465 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)c3cccc(C)n3)C2)n1 ZINC000328615792 404114987 /nfs/dbraw/zinc/11/49/87/404114987.db2.gz ZIACTSJEVXDKFD-ZDUSSCGKSA-N 0 0 313.361 2.282 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)c3ccc(C)n3C)C2)n1 ZINC000328615500 404115019 /nfs/dbraw/zinc/11/50/19/404115019.db2.gz YSXUNQOJYDDINJ-CYBMUJFWSA-N 0 0 315.377 2.225 10 30 DEEERN Cc1ccc(CCNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)cn1 ZINC000328625206 404117512 /nfs/dbraw/zinc/11/75/12/404117512.db2.gz KLIWFDVNOPYJLL-JKSUJKDBSA-N 0 0 314.389 2.400 10 30 DEEERN CCn1ccnc1CN1CC[C@H](n2ccc(NC(C)=O)n2)C1 ZINC000328634818 404118685 /nfs/dbraw/zinc/11/86/85/404118685.db2.gz UGQDQCZROWOLTJ-ZDUSSCGKSA-N 0 0 302.382 2.154 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)C[C@@H]1CCCCO1)CCC2 ZINC000328655499 404123928 /nfs/dbraw/zinc/12/39/28/404123928.db2.gz MXDQCNYSZLQZRK-GJZGRUSLSA-N 0 0 320.437 2.484 10 30 DEEERN CS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(C3CC3)cc2)C1 ZINC000328652556 404125568 /nfs/dbraw/zinc/12/55/68/404125568.db2.gz KBUHZJAOZMUCBK-OAHLLOKOSA-N 0 0 322.430 2.097 10 30 DEEERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)CC(F)(F)F)C1 ZINC000328650254 404125639 /nfs/dbraw/zinc/12/56/39/404125639.db2.gz VLXXEWFXGYQJSC-UHFFFAOYSA-N 0 0 308.300 2.223 10 30 DEEERN N#C[C@@H]1CN(C(=O)Nc2cc(F)ccc2F)CCN1C1CC1 ZINC000363406195 404159301 /nfs/dbraw/zinc/15/93/01/404159301.db2.gz LIBJDVODIPTFIO-GFCCVEGCSA-N 0 0 306.316 2.169 10 30 DEEERN N#C[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)CCN1C1CC1 ZINC000363499607 404168573 /nfs/dbraw/zinc/16/85/73/404168573.db2.gz ONXFCKHXNIRDCW-SFHVURJKSA-N 0 0 307.401 2.044 10 30 DEEERN O=C(NC1CCC2(CC2)CC1)N1CCC[C@H]1Cn1ccnn1 ZINC000329152932 404246060 /nfs/dbraw/zinc/24/60/60/404246060.db2.gz AWXHIHMANVUMQS-AWEZNQCLSA-N 0 0 303.410 2.379 10 30 DEEERN C#Cc1ccc(CNC(=O)NCCC(C)(C)C(=O)OC)cc1 ZINC000296506642 404280452 /nfs/dbraw/zinc/28/04/52/404280452.db2.gz DIPDODLAMSICOO-UHFFFAOYSA-N 0 0 302.374 2.056 10 30 DEEERN C=CCN(Cc1ccccc1)S(=O)(=O)c1cnc2n1CCC2 ZINC000355577822 404351092 /nfs/dbraw/zinc/35/10/92/404351092.db2.gz BUBKGUIUXLTGBE-UHFFFAOYSA-N 0 0 317.414 2.206 10 30 DEEERN C=CCOc1ccc(CNC(=O)NCc2nccn2CC)cc1 ZINC000296534571 404294583 /nfs/dbraw/zinc/29/45/83/404294583.db2.gz FVXGCFQVCIVDHV-UHFFFAOYSA-N 0 0 314.389 2.467 10 30 DEEERN O=C(C[C@@H]1C=CCC1)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000329311394 404298760 /nfs/dbraw/zinc/29/87/60/404298760.db2.gz ZSGFIMKUJJXXLK-CHWSQXEVSA-N 0 0 312.435 2.256 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2cccnc2)C1 ZINC000364059411 404301772 /nfs/dbraw/zinc/30/17/72/404301772.db2.gz WZDJGIBUESOARX-HIFRSBDPSA-N 0 0 301.390 2.015 10 30 DEEERN C#CCCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000364082385 404312774 /nfs/dbraw/zinc/31/27/74/404312774.db2.gz RNWUTHNFAMYBEP-OAGGEKHMSA-N 0 0 312.417 2.144 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000355964686 404382033 /nfs/dbraw/zinc/38/20/33/404382033.db2.gz QQCVAZLJNANYKL-ZDUSSCGKSA-N 0 0 305.426 2.429 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1cnc(-c2ccncc2)s1 ZINC000342151992 404405347 /nfs/dbraw/zinc/40/53/47/404405347.db2.gz ASZOYSJKSKAEQQ-LLVKDONJSA-N 0 0 303.387 2.120 10 30 DEEERN COC[C@H](NC(=O)N1CC2(CCC2)[C@@H]1C1CC1)[C@@H]1CCCO1 ZINC000329646131 404405840 /nfs/dbraw/zinc/40/58/40/404405840.db2.gz IVRKMPZFZDTESX-KKUMJFAQSA-N 0 0 308.422 2.359 10 30 DEEERN C[C@H](Cn1cccn1)NC(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000329684239 404422334 /nfs/dbraw/zinc/42/23/34/404422334.db2.gz UCYPKHHJDXLQDY-ZBFHGGJFSA-N 0 0 320.437 2.467 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N1CCCO[C@H](C)C1 ZINC000351070531 404510020 /nfs/dbraw/zinc/51/00/20/404510020.db2.gz AYJYICRZOBADRL-CQSZACIVSA-N 0 0 316.405 2.458 10 30 DEEERN O=C(C[C@H]1CCOC1)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000329730715 404435614 /nfs/dbraw/zinc/43/56/14/404435614.db2.gz DGPAWLCGWMTWPL-MNOVXSKESA-N 0 0 309.391 2.149 10 30 DEEERN C=CCC[C@H](NC(=O)N[C@H]1CCCNC1=O)c1ccccc1 ZINC000297297536 404542181 /nfs/dbraw/zinc/54/21/81/404542181.db2.gz MDHJOOHEMGBFRD-GJZGRUSLSA-N 0 0 301.390 2.272 10 30 DEEERN Cc1cc(C)c(C#N)c(N2C[C@]3(CCOC3)OC(C)(C)C2)n1 ZINC000373685599 404556284 /nfs/dbraw/zinc/55/62/84/404556284.db2.gz UPHJSWDCUANWPH-KRWDZBQOSA-N 0 0 301.390 2.344 10 30 DEEERN Cc1cccc(CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1Cl ZINC000365157991 404563622 /nfs/dbraw/zinc/56/36/22/404563622.db2.gz AZEMYHIIKBBRJP-OAHLLOKOSA-N 0 0 317.820 2.390 10 30 DEEERN C=CCOc1cccnc1-c1nc([C@@H]2CC(=O)N(CC)C2)no1 ZINC000351384447 404568989 /nfs/dbraw/zinc/56/89/89/404568989.db2.gz HDSMBBLZNJLVCL-LLVKDONJSA-N 0 0 314.345 2.032 10 30 DEEERN C=CCN1C(=O)N([C@@H]2CCCOC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000345265097 404645933 /nfs/dbraw/zinc/64/59/33/404645933.db2.gz LUSLZXMWBGGROA-CVEARBPZSA-N 0 0 314.385 2.227 10 30 DEEERN C=CCCN(C)C(=O)c1nc2ccc(Br)cn2n1 ZINC000414406465 404616821 /nfs/dbraw/zinc/61/68/21/404616821.db2.gz VVOJJBPLWQLQLH-UHFFFAOYSA-N 0 0 309.167 2.140 10 30 DEEERN C=CC[C@H]1N(C(=O)C(=O)NCC[C@@H]2CCOC2)CCCC1(C)C ZINC000356767167 404685295 /nfs/dbraw/zinc/68/52/95/404685295.db2.gz GOJADPAYRWVROE-HUUCEWRRSA-N 0 0 322.449 2.123 10 30 DEEERN C=CCn1c([C@@H](C)CC)nnc1N(C[C@H]1CCC(=O)N1)C(C)C ZINC000414536270 404671472 /nfs/dbraw/zinc/67/14/72/404671472.db2.gz ZGTAGSRFIKTVKP-UONOGXRCSA-N 0 0 319.453 2.471 10 30 DEEERN CCOC(=O)C1CCC(NC(=O)N2CCC(C)(C#N)CC2)CC1 ZINC000357093446 404728164 /nfs/dbraw/zinc/72/81/64/404728164.db2.gz JJAUDRKDQHIMCG-UHFFFAOYSA-N 0 0 321.421 2.444 10 30 DEEERN C=CCSCCNC(=O)c1nn(CC)c2ccccc2c1=O ZINC000357278266 404732107 /nfs/dbraw/zinc/73/21/07/404732107.db2.gz WIYHRYOCOZRXPA-UHFFFAOYSA-N 0 0 317.414 2.065 10 30 DEEERN C=CCN1C(=O)c2ccc(-c3nc(-c4ccon4)no3)cc2C1=O ZINC000357341812 404732841 /nfs/dbraw/zinc/73/28/41/404732841.db2.gz PTAYDKAUXRLJQR-UHFFFAOYSA-N 0 0 322.280 2.174 10 30 DEEERN C=C[C@H](C)NC(=O)C(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000353130340 404750188 /nfs/dbraw/zinc/75/01/88/404750188.db2.gz UBHCCBDNSILPEM-NSHDSACASA-N 0 0 320.389 2.456 10 30 DEEERN Cc1ccc(N2CC[C@H](Oc3ccc(C#N)cn3)C2)nc1C#N ZINC000366181876 404768079 /nfs/dbraw/zinc/76/80/79/404768079.db2.gz FHNLNPCXASOYJG-AWEZNQCLSA-N 0 0 305.341 2.186 10 30 DEEERN Cc1ccc2cc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)ccc2n1 ZINC000366475709 404797747 /nfs/dbraw/zinc/79/77/47/404797747.db2.gz BBVCEGQLAOJNNT-QGZVFWFLSA-N 0 0 320.396 2.356 10 30 DEEERN COC(=O)[C@H](C1CC1)N1CCCN(c2ccccc2C#N)CC1 ZINC000359613484 404798152 /nfs/dbraw/zinc/79/81/52/404798152.db2.gz VSKJZJVSMAGETL-KRWDZBQOSA-N 0 0 313.401 2.022 10 30 DEEERN C=CC[C@H](CO)CNC(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000359890054 404807724 /nfs/dbraw/zinc/80/77/24/404807724.db2.gz OGGKJZZTTBINEU-USXIJHARSA-N 0 0 318.417 2.391 10 30 DEEERN N#C[C@@H]1CN(Cc2cccc(OC(F)F)c2)CCN1C1CC1 ZINC000360094100 404818240 /nfs/dbraw/zinc/81/82/40/404818240.db2.gz YFCSJFSEANNAON-CQSZACIVSA-N 0 0 307.344 2.460 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)N[C@H](C)c1noc(COCC)n1 ZINC000360450809 404828245 /nfs/dbraw/zinc/82/82/45/404828245.db2.gz XMRFTBKVEBBKET-NEPJUHHUSA-N 0 0 308.382 2.417 10 30 DEEERN CC[C@H](C)c1nnc([C@H](C)NC(=O)c2ccc(C#N)n2C)[nH]1 ZINC000451169178 404886699 /nfs/dbraw/zinc/88/66/99/404886699.db2.gz ZJFBNCDRZMNDNR-UWVGGRQHSA-N 0 0 300.366 2.019 10 30 DEEERN C=CCCCNC(=O)C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000360923346 404852997 /nfs/dbraw/zinc/85/29/97/404852997.db2.gz JZTNRWTZVKGSFD-UHFFFAOYSA-N 0 0 323.462 2.182 10 30 DEEERN Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1C#N ZINC000366921526 404871174 /nfs/dbraw/zinc/87/11/74/404871174.db2.gz LCXGXYVFYILLRU-KRWDZBQOSA-N 0 0 319.364 2.402 10 30 DEEERN Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1C#N ZINC000366921527 404871180 /nfs/dbraw/zinc/87/11/80/404871180.db2.gz LCXGXYVFYILLRU-QGZVFWFLSA-N 0 0 319.364 2.402 10 30 DEEERN C=CCc1ccc(OCC(=O)N(CC)[C@@H]2CCOC2)c(OC)c1 ZINC000361189948 404965574 /nfs/dbraw/zinc/96/55/74/404965574.db2.gz NYSGWIIUYIADPG-OAHLLOKOSA-N 0 0 319.401 2.440 10 30 DEEERN C[C@@H]1CCc2nc(NC(=O)C(=O)NCCCCC#N)sc2C1 ZINC000434589765 404913053 /nfs/dbraw/zinc/91/30/53/404913053.db2.gz YAZZRCWFFKQCLW-SNVBAGLBSA-N 0 0 320.418 2.016 10 30 DEEERN C=C(C)COc1cccc(NC(=O)N2CCO[C@@H]([C@H](C)O)C2)c1 ZINC000416794913 404914007 /nfs/dbraw/zinc/91/40/07/404914007.db2.gz RFWPNFRBOVBSFY-XJKSGUPXSA-N 0 0 320.389 2.255 10 30 DEEERN CC(C)(CC#N)CS(=O)(=O)NC[C@](C)(O)C1CCCCC1 ZINC000451455604 405003979 /nfs/dbraw/zinc/00/39/79/405003979.db2.gz KCFCZEACSHMVHH-HNNXBMFYSA-N 0 0 316.467 2.177 10 30 DEEERN N#Cc1ccnc(NC(=O)CN2c3ccccc3CCCC2=O)c1 ZINC000435994057 405034637 /nfs/dbraw/zinc/03/46/37/405034637.db2.gz KOKZCXOKMHRVLA-UHFFFAOYSA-N 0 0 320.352 2.261 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1nc2c(s1)CN(CC)CC2 ZINC000367579760 405090343 /nfs/dbraw/zinc/09/03/43/405090343.db2.gz HPSJEWVXQGYYLG-UHFFFAOYSA-N 0 0 301.415 2.122 10 30 DEEERN C=CCC1(C(=O)NC[C@H](O)Cc2ccccc2)CCOCC1 ZINC000424721085 405159368 /nfs/dbraw/zinc/15/93/68/405159368.db2.gz UULCTEGRVDWLTC-MRXNPFEDSA-N 0 0 303.402 2.079 10 30 DEEERN C=CCC1(C(=O)N[C@H](C)[C@@H](O)Cc2ccccc2)CCOCC1 ZINC000424733033 405161998 /nfs/dbraw/zinc/16/19/98/405161998.db2.gz HXMCQAJLPCGTGM-WBVHZDCISA-N 0 0 317.429 2.468 10 30 DEEERN C=CCCn1cc(C(=O)N2CCO[C@H](c3cccs3)C2)nn1 ZINC000424730701 405162079 /nfs/dbraw/zinc/16/20/79/405162079.db2.gz OBKNODONHHAWML-ZDUSSCGKSA-N 0 0 318.402 2.129 10 30 DEEERN C=CCC1(C(=O)N(C)C[C@@H](O)Cc2ccccc2)CCOCC1 ZINC000424856155 405197942 /nfs/dbraw/zinc/19/79/42/405197942.db2.gz ZHJIAZIRMREBMX-KRWDZBQOSA-N 0 0 317.429 2.421 10 30 DEEERN C=CCC[C@@H](NC(=O)C1(CC=C)CCOCC1)C(=O)OCC ZINC000424860911 405198828 /nfs/dbraw/zinc/19/88/28/405198828.db2.gz CMZLBBOKDCEOPX-CQSZACIVSA-N 0 0 309.406 2.373 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(CNC(C)=O)s1 ZINC000437514663 405203243 /nfs/dbraw/zinc/20/32/43/405203243.db2.gz CVGIPASDQKNJAU-SWLSCSKDSA-N 0 0 322.430 2.095 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000437526207 405204533 /nfs/dbraw/zinc/20/45/33/405204533.db2.gz KNORBBHOPBIBMG-SMDDNHRTSA-N 0 0 305.334 2.009 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000452241721 405204941 /nfs/dbraw/zinc/20/49/41/405204941.db2.gz CHEFHUFMWJLFIX-STQMWFEESA-N 0 0 307.415 2.276 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N(C)CC(=O)Nc1cccc(F)c1 ZINC000437570891 405206011 /nfs/dbraw/zinc/20/60/11/405206011.db2.gz UUOOVBWFZBIUOV-QGZVFWFLSA-N 0 0 322.380 2.451 10 30 DEEERN C=CCn1cc(CNC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)nn1 ZINC000424909037 405211104 /nfs/dbraw/zinc/21/11/04/405211104.db2.gz RQZRPBLPSBBIGC-ZJUUUORDSA-N 0 0 302.300 2.059 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(COC(C)(C)C)on1 ZINC000424926540 405213955 /nfs/dbraw/zinc/21/39/55/405213955.db2.gz SXVIKXKKWWPORI-FZMZJTMJSA-N 0 0 308.378 2.311 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-c2ccco2)[nH]c1=O ZINC000424933429 405215062 /nfs/dbraw/zinc/21/50/62/405215062.db2.gz QLZKBDHWYHTAKT-FZMZJTMJSA-N 0 0 314.341 2.368 10 30 DEEERN C=CCC[C@@H]1NC(=O)N([C@H](C)c2ccc3c(c2)OCO3)C1=O ZINC000419925787 405272215 /nfs/dbraw/zinc/27/22/15/405272215.db2.gz PFJTWDUYPWVVNB-PWSUYJOCSA-N 0 0 302.330 2.363 10 30 DEEERN C=CCCn1cc(C(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)nn1 ZINC000424982441 405223802 /nfs/dbraw/zinc/22/38/02/405223802.db2.gz OHYSNIUCLNMNNO-GDBMZVCRSA-N 0 0 300.337 2.221 10 30 DEEERN N#Cc1ncccc1N[C@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000368179826 405231100 /nfs/dbraw/zinc/23/11/00/405231100.db2.gz XNMLBFLVUZENDF-HNNXBMFYSA-N 0 0 306.369 2.209 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000425210466 405258448 /nfs/dbraw/zinc/25/84/48/405258448.db2.gz RFDHAPDHOCBKNP-STQMWFEESA-N 0 0 317.451 2.335 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1OCCOC ZINC000425644049 405309639 /nfs/dbraw/zinc/30/96/39/405309639.db2.gz KPGCAOAIKLKIQG-ZFWWWQNUSA-N 0 0 320.389 2.424 10 30 DEEERN CC#CCCNC(=O)C(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000440705145 405323315 /nfs/dbraw/zinc/32/33/15/405323315.db2.gz NQQCCBPKZPTHTB-UHFFFAOYSA-N 0 0 311.341 2.118 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CCO)C1CCCCC1 ZINC000425850329 405324230 /nfs/dbraw/zinc/32/42/30/405324230.db2.gz GCONMIMEEJFZFE-JYJNAYRXSA-N 0 0 310.438 2.208 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@](C)(CCC)C1 ZINC000425911037 405328828 /nfs/dbraw/zinc/32/88/28/405328828.db2.gz ZWYUJBPOAWULFH-RLFYNMQTSA-N 0 0 322.449 2.123 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N([C@H](C)[C@@H](C)CC)C1CC1 ZINC000425909039 405329245 /nfs/dbraw/zinc/32/92/45/405329245.db2.gz LTRQVFQNYIRNGL-FQLMCAECSA-N 0 0 322.449 2.119 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000426073488 405337743 /nfs/dbraw/zinc/33/77/43/405337743.db2.gz PYDZFNXJACVBAY-CABCVRRESA-N 0 0 317.437 2.139 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](COC)c1ccc(CC)o1 ZINC000425460626 405293865 /nfs/dbraw/zinc/29/38/65/405293865.db2.gz SGXZWNBIIVBGGB-QEJZJMRPSA-N 0 0 322.405 2.420 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CCOC)c1ccco1 ZINC000425479610 405297180 /nfs/dbraw/zinc/29/71/80/405297180.db2.gz DJBAJRJORYXHHD-MJBXVCDLSA-N 0 0 308.378 2.248 10 30 DEEERN C=CCC1(C(=O)Nc2nnc3cc(C)ccn32)CCOCC1 ZINC000425553796 405302833 /nfs/dbraw/zinc/30/28/33/405302833.db2.gz UZLBYPVRPKHJIV-UHFFFAOYSA-N 0 0 300.362 2.349 10 30 DEEERN C=C(C)CCNC(=O)NCCc1cnc2c(Cl)cnn2c1 ZINC000455141351 405380463 /nfs/dbraw/zinc/38/04/63/405380463.db2.gz PHWZCKVSXXPIRQ-UHFFFAOYSA-N 0 0 307.785 2.191 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)Nc1cc(OC)cc(OC)c1C ZINC000455388425 405404022 /nfs/dbraw/zinc/40/40/22/405404022.db2.gz UQVBFYOOUQQJCS-LBPRGKRZSA-N 0 0 308.378 2.461 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000455638577 405438538 /nfs/dbraw/zinc/43/85/38/405438538.db2.gz NCCRMBXNRUICOO-RKDXNWHRSA-N 0 0 323.340 2.230 10 30 DEEERN C=CCCc1ccccc1NC(=O)N1CC[C@H](C(=O)NC)C1 ZINC000421115042 405448917 /nfs/dbraw/zinc/44/89/17/405448917.db2.gz HGZMQWCWTZFTHH-AWEZNQCLSA-N 0 0 301.390 2.405 10 30 DEEERN CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCC2CCC(C#N)CC2)C1 ZINC000458725997 405560179 /nfs/dbraw/zinc/56/01/79/405560179.db2.gz HISDCJARFRFXNN-UYSNPLJNSA-N 0 0 306.454 2.440 10 30 DEEERN C=CC(C)(C)CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000456119706 405505712 /nfs/dbraw/zinc/50/57/12/405505712.db2.gz SPFNLMHUBVWWGN-ZDUSSCGKSA-N 0 0 310.463 2.407 10 30 DEEERN C=CC(C)(C)CCNC(=O)NC[C@H](n1cncn1)C(F)(F)F ZINC000633374544 405605754 /nfs/dbraw/zinc/60/57/54/405605754.db2.gz FLWHWCUIZBLKSC-JTQLQIEISA-N 0 0 319.331 2.283 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000633411420 405629668 /nfs/dbraw/zinc/62/96/68/405629668.db2.gz RQZKZIOXELPPIF-ZDUSSCGKSA-N 0 0 305.426 2.193 10 30 DEEERN C=CC1CCN(C(=O)N[C@H](CC(=O)NC)c2ccccc2)CC1 ZINC000431097083 405578321 /nfs/dbraw/zinc/57/83/21/405578321.db2.gz AIAGNEUPBQXRGM-MRXNPFEDSA-N 0 0 315.417 2.471 10 30 DEEERN C=CCOCCCNC(=O)N(C)Cc1c(C)nn(CC)c1C ZINC000633353245 405589234 /nfs/dbraw/zinc/58/92/34/405589234.db2.gz ZPKFKTMUSCRZGQ-UHFFFAOYSA-N 0 0 308.426 2.254 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1cc2c(cc(OC)cc2OC)[nH]1 ZINC000633357665 405592677 /nfs/dbraw/zinc/59/26/77/405592677.db2.gz REFDGMZHKOLNPT-LLVKDONJSA-N 0 0 318.373 2.242 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccc(OC)cc1C ZINC000558496055 405665936 /nfs/dbraw/zinc/66/59/36/405665936.db2.gz ZONVDHCTQVAVEP-UHFFFAOYSA-N 0 0 304.390 2.044 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc(-n2ccnc2)cc1 ZINC000633485553 405670854 /nfs/dbraw/zinc/67/08/54/405670854.db2.gz GEWUZKCXCUNTML-RDJZCZTQSA-N 0 0 311.385 2.122 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@H]1CCCS1(=O)=O ZINC000636028248 405691030 /nfs/dbraw/zinc/69/10/30/405691030.db2.gz LAIREFCZONXNDH-JKSUJKDBSA-N 0 0 321.442 2.257 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457119995 405710222 /nfs/dbraw/zinc/71/02/22/405710222.db2.gz JXXNRYFWGAZNHE-ZDUSSCGKSA-N 0 0 318.377 2.241 10 30 DEEERN C=CCN(C)CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000494638294 405732962 /nfs/dbraw/zinc/73/29/62/405732962.db2.gz PXLWVBVJHAXOSG-UHFFFAOYSA-N 0 0 302.418 2.312 10 30 DEEERN CN1C[C@H](NC(=O)c2cccc(C#N)c2)CC[C@@H]1C(F)(F)F ZINC000583618078 405776318 /nfs/dbraw/zinc/77/63/18/405776318.db2.gz APRDKUOSZUGNOF-CHWSQXEVSA-N 0 0 311.307 2.313 10 30 DEEERN C=CCOCC(=O)NCCCc1nc(-c2ccccn2)cs1 ZINC000636168190 405788361 /nfs/dbraw/zinc/78/83/61/405788361.db2.gz RUKPROUTSHDULQ-UHFFFAOYSA-N 0 0 317.414 2.457 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCOC[C@H]1C ZINC000432429579 405765774 /nfs/dbraw/zinc/76/57/74/405765774.db2.gz GOQQBAQCSFMRMI-DOMZBBRYSA-N 0 0 305.374 2.415 10 30 DEEERN COc1ccc(CCNC(=O)Cc2cccc(C#N)c2)c(OC)c1 ZINC000530909504 405880271 /nfs/dbraw/zinc/88/02/71/405880271.db2.gz GGLZDKDWCQZOHA-UHFFFAOYSA-N 0 0 324.380 2.477 10 30 DEEERN C=CCC1(C(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)CCC1 ZINC000633807343 405852574 /nfs/dbraw/zinc/85/25/74/405852574.db2.gz IOWMRLKTJCVTLA-HZPDHXFCSA-N 0 0 301.386 2.384 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCC(Cc2cccnc2)CC1 ZINC000450373226 405862034 /nfs/dbraw/zinc/86/20/34/405862034.db2.gz SUWOVYQYCZPFAA-UHFFFAOYSA-N 0 0 308.385 2.387 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)c1cc(C(=O)OCC)no1 ZINC000450491907 405925983 /nfs/dbraw/zinc/92/59/83/405925983.db2.gz YNSKGQSPEUZMSJ-UHFFFAOYSA-N 0 0 318.329 2.315 10 30 DEEERN C=CCCOCCCCC(=O)N(C)[C@@H]1CCCCN(C)C1=O ZINC000634143318 406019950 /nfs/dbraw/zinc/01/99/50/406019950.db2.gz HZXAGGONXYGDAD-OAHLLOKOSA-N 0 0 310.438 2.219 10 30 DEEERN C=CCOc1ccc(CN[C@H](CO)c2ccnn2C)cc1Cl ZINC000459727012 406021415 /nfs/dbraw/zinc/02/14/15/406021415.db2.gz YGFHCWOBHOGPEJ-CQSZACIVSA-N 0 0 321.808 2.462 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1ccccc1COC ZINC000636534053 406002506 /nfs/dbraw/zinc/00/25/06/406002506.db2.gz GLLRBNPYBBSZJV-UHFFFAOYSA-N 0 0 318.417 2.168 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000636813083 406088900 /nfs/dbraw/zinc/08/89/00/406088900.db2.gz ATUSYMSLDLUJHK-CABCVRRESA-N 0 0 322.449 2.169 10 30 DEEERN C=CCCCNC(=O)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000567452208 406096770 /nfs/dbraw/zinc/09/67/70/406096770.db2.gz XNTFQRORQBRETD-UHFFFAOYSA-N 0 0 305.353 2.150 10 30 DEEERN C=CC[N@@H+](CCc1ccccc1)C[C@@H](O)CC1(O)CCOCC1 ZINC000639461838 406098115 /nfs/dbraw/zinc/09/81/15/406098115.db2.gz WUHFOKFMVHAWEH-SFHVURJKSA-N 0 0 319.445 2.010 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)NCC1([C@H]2CCCCO2)CCC1 ZINC000632347782 406101183 /nfs/dbraw/zinc/10/11/83/406101183.db2.gz XTRDBKWZIMIFOE-OAHLLOKOSA-N 0 0 322.449 2.267 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC000564860614 406067473 /nfs/dbraw/zinc/06/74/73/406067473.db2.gz XPNQLOUEPFYZGH-INWMFGNUSA-N 0 0 303.406 2.483 10 30 DEEERN C=CCC[C@H]1NC(=O)N([C@H]2CCN(c3ccc(F)cc3)C2)C1=O ZINC000515525729 406072529 /nfs/dbraw/zinc/07/25/29/406072529.db2.gz YVZNQEWRWRZNGI-LSDHHAIUSA-N 0 0 317.364 2.291 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@]1(COC)CCOC1 ZINC000460056096 406077513 /nfs/dbraw/zinc/07/75/13/406077513.db2.gz GYEVTKNHVPAZJU-GOSISDBHSA-N 0 0 314.385 2.126 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000518923448 406165606 /nfs/dbraw/zinc/16/56/06/406165606.db2.gz ASLMBULONFUJAA-CVEARBPZSA-N 0 0 322.449 2.447 10 30 DEEERN C=C1CC(C)(C(=O)NCc2nc(COc3ccccc3)n[nH]2)C1 ZINC000632521219 406169833 /nfs/dbraw/zinc/16/98/33/406169833.db2.gz VUZNLCZDXRTNRC-UHFFFAOYSA-N 0 0 312.373 2.356 10 30 DEEERN C=C(C)COCCNC(=O)N[C@](C)(CO)Cc1ccc(F)cc1 ZINC000636932072 406126287 /nfs/dbraw/zinc/12/62/87/406126287.db2.gz WDTCARVYGUDFPS-KRWDZBQOSA-N 0 0 324.396 2.011 10 30 DEEERN C=C[C@@H](CC(=O)NC1CN(c2ccncn2)C1)c1ccccc1 ZINC000634452803 406136086 /nfs/dbraw/zinc/13/60/86/406136086.db2.gz IMNCLTUJXIHDCK-AWEZNQCLSA-N 0 0 308.385 2.141 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCCCc1ccco1 ZINC000637017367 406151790 /nfs/dbraw/zinc/15/17/90/406151790.db2.gz CPJMTCNEHWJHPV-UHFFFAOYSA-N 0 0 306.406 2.437 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](c1ccccc1F)[C@H](C)O ZINC000568016634 406179685 /nfs/dbraw/zinc/17/96/85/406179685.db2.gz KMLPYGZZTDMLSF-MWNCTCPHSA-N 0 0 322.380 2.280 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CC12CCSCC2 ZINC000568154144 406198406 /nfs/dbraw/zinc/19/84/06/406198406.db2.gz VTCISCNLSXNWEY-IHRRRGAJSA-N 0 0 310.463 2.410 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCOCC2(CCC2)C1 ZINC000632624468 406205878 /nfs/dbraw/zinc/20/58/78/406205878.db2.gz IPJKKAJEODJCCK-UHFFFAOYSA-N 0 0 322.449 2.124 10 30 DEEERN C=CCCCCCNC(=O)N(C)[C@@H](C)CS(=O)(=O)CC ZINC000519616752 406221946 /nfs/dbraw/zinc/22/19/46/406221946.db2.gz UWSPXNAOLBSUIW-ZDUSSCGKSA-N 0 0 304.456 2.197 10 30 DEEERN C=CCn1nnnc1Sc1ccc2ncccc2c1[N+](=O)[O-] ZINC000535720945 406229353 /nfs/dbraw/zinc/22/93/53/406229353.db2.gz JDSHYPSUROEKFB-UHFFFAOYSA-N 0 0 314.330 2.467 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000519761512 406249295 /nfs/dbraw/zinc/24/92/95/406249295.db2.gz DOSLGVQLBRUQDW-JJXSEGSLSA-N 0 0 308.422 2.178 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCOC[C@H]1c1noc(C)n1 ZINC000637321457 406257486 /nfs/dbraw/zinc/25/74/86/406257486.db2.gz ISIDGAXELFATDV-LBPRGKRZSA-N 0 0 308.382 2.063 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000637324652 406259216 /nfs/dbraw/zinc/25/92/16/406259216.db2.gz XMZONXXKSDDUNS-RRFJBIMHSA-N 0 0 310.438 2.160 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CCO[C@H](C(F)F)CC1 ZINC000634751584 406266341 /nfs/dbraw/zinc/26/63/41/406266341.db2.gz SXTRBZIGVJSNCW-STQMWFEESA-N 0 0 304.381 2.156 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@@H]1COc2cccc(C)c2C1 ZINC000637356794 406272632 /nfs/dbraw/zinc/27/26/32/406272632.db2.gz AJXNLQBISDXOIT-AWEZNQCLSA-N 0 0 304.390 2.143 10 30 DEEERN COc1ccc(COCCNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000536780335 406277716 /nfs/dbraw/zinc/27/77/16/406277716.db2.gz XBGYTTNQNOBZLS-UHFFFAOYSA-N 0 0 324.380 2.442 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2Cc3ccc(Cl)cc32)C1=O ZINC000632845715 406287949 /nfs/dbraw/zinc/28/79/49/406287949.db2.gz QGHOHXBRHRDEFZ-LSDHHAIUSA-N 0 0 318.804 2.225 10 30 DEEERN C=C1CC(C)(C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)C1 ZINC000633020674 406355424 /nfs/dbraw/zinc/35/54/24/406355424.db2.gz YDZNRNFFBXSOKI-AWEZNQCLSA-N 0 0 305.422 2.139 10 30 DEEERN C=CCCCN(C)C(=O)Nc1cccc(-n2cnnn2)c1C ZINC000523023606 406416755 /nfs/dbraw/zinc/41/67/55/406416755.db2.gz SBSDBTRVLZUKOH-UHFFFAOYSA-N 0 0 300.366 2.401 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N(C)[C@H](CO)COC(C)C ZINC000637620320 406368093 /nfs/dbraw/zinc/36/80/93/406368093.db2.gz BIOQWSFJHNXPJZ-CQSZACIVSA-N 0 0 300.443 2.406 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000637623542 406369667 /nfs/dbraw/zinc/36/96/67/406369667.db2.gz GCUCYPFQMQVTAX-MRXNPFEDSA-N 0 0 323.481 2.485 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@H](C)CS(=O)(=O)CC ZINC000633088547 406378338 /nfs/dbraw/zinc/37/83/38/406378338.db2.gz AOSLDOHSSFFPGI-GFCCVEGCSA-N 0 0 304.456 2.101 10 30 DEEERN C=C(CC)CNC(=O)C(=O)Nc1cc(F)cc(OC(F)F)c1 ZINC000635187775 406453946 /nfs/dbraw/zinc/45/39/46/406453946.db2.gz CPDYANAREOOPTK-UHFFFAOYSA-N 0 0 316.279 2.448 10 30 DEEERN C=CCC[C@@H]1NC(=O)N([C@H]2COc3ccc(F)cc3C2)C1=O ZINC000571777917 406566570 /nfs/dbraw/zinc/56/65/70/406566570.db2.gz GTZLGNYDIXTCLR-OLZOCXBDSA-N 0 0 304.321 2.016 10 30 DEEERN C=C1CCN(C(=O)[C@@H]2CCN2Cc2ccc(OC)cc2)CC1 ZINC000635502334 406566823 /nfs/dbraw/zinc/56/68/23/406566823.db2.gz DOFOINYMWFNPTH-KRWDZBQOSA-N 0 0 300.402 2.448 10 30 DEEERN N#Cc1cnccc1N1CCN(c2ncnc3sccc32)CC1 ZINC000548479684 406521195 /nfs/dbraw/zinc/52/11/95/406521195.db2.gz UWZCTZPDIAMIBU-UHFFFAOYSA-N 0 0 322.397 2.285 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1ccccc1F)[C@H](C)O ZINC000574330139 406781633 /nfs/dbraw/zinc/78/16/33/406781633.db2.gz MNGVWWKMHXFMKE-APYUEPQZSA-N 0 0 322.380 2.138 10 30 DEEERN Cn1cc(OCC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000573743450 406776498 /nfs/dbraw/zinc/77/64/98/406776498.db2.gz OJEHVYZQCYWAMG-IRXDYDNUSA-N 0 0 324.384 2.097 10 30 DEEERN N#Cc1cc(O)cc(I)c1OC(F)F ZINC000575661750 406816468 /nfs/dbraw/zinc/81/64/68/406816468.db2.gz KZDBCJGNDVTUIT-UHFFFAOYSA-N 0 0 311.025 2.470 10 30 DEEERN CCOC(=O)Cc1cc(Br)c([N+](=O)[O-])cc1C#N ZINC000575383607 406808260 /nfs/dbraw/zinc/80/82/60/406808260.db2.gz SQPKPHGBENJCEX-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN COC(=O)Cc1ccc([N+](=O)[O-])c(OC(F)(F)F)c1C#N ZINC000575395886 406809199 /nfs/dbraw/zinc/80/91/99/406809199.db2.gz USVKCZSQKUBWGY-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN CCOc1ccc(N)c(CC#N)c1I ZINC000575718431 406823612 /nfs/dbraw/zinc/82/36/12/406823612.db2.gz SQBPDKGCOJOUSX-UHFFFAOYSA-N 0 0 302.115 2.338 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cnn2c1C[C@H](C)CC2 ZINC000576825511 406832931 /nfs/dbraw/zinc/83/29/31/406832931.db2.gz LUHVNVYAYNTGIN-IOASZLSFSA-N 0 0 303.406 2.176 10 30 DEEERN COC[C@@H](NC(=O)c1ccc(C#CCO)c(Cl)c1)C(C)C ZINC000128944750 196006616 /nfs/dbraw/zinc/00/66/16/196006616.db2.gz DRXNECWYKQIEPJ-OAHLLOKOSA-N 0 0 309.793 2.085 10 30 DEEERN C#CC[C@@H](CC)NS(=O)(=O)c1cc(N)c(C)c(Cl)c1 ZINC000129185833 196026278 /nfs/dbraw/zinc/02/62/78/196026278.db2.gz CTPRIXGJVRTNLG-SNVBAGLBSA-N 0 0 300.811 2.311 10 30 DEEERN Cc1cc(C#CCCO)cc(C(=O)NC[C@@H]2CCCS2)c1 ZINC000131685130 196191153 /nfs/dbraw/zinc/19/11/53/196191153.db2.gz CQKPBTFTOWLQBE-INIZCTEOSA-N 0 0 303.427 2.354 10 30 DEEERN CC(C)CS(=O)(=O)Nc1cc(Cl)ccc1C#CCO ZINC000131990444 196216898 /nfs/dbraw/zinc/21/68/98/196216898.db2.gz NUJVMBPIDCYXOV-UHFFFAOYSA-N 0 0 301.795 2.082 10 30 DEEERN CCO[C@@H](C)CNC(=O)c1ccc(C#CCCO)c(Cl)c1 ZINC000132335028 196247654 /nfs/dbraw/zinc/24/76/54/196247654.db2.gz HVAIAKJFIAFXIV-LBPRGKRZSA-N 0 0 309.793 2.229 10 30 DEEERN N#Cc1cc(Br)ccc1N[C@H]1CCCNC(=O)C1 ZINC000132319158 196245647 /nfs/dbraw/zinc/24/56/47/196245647.db2.gz OHALICLMYCCNHN-NSHDSACASA-N 0 0 308.179 2.401 10 30 DEEERN Cc1cc(F)cc(C(=O)NCc2cc(C#CCO)cs2)c1 ZINC000136920418 196557591 /nfs/dbraw/zinc/55/75/91/196557591.db2.gz PSHHYDXUGUYVGY-UHFFFAOYSA-N 0 0 303.358 2.469 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)C2(C#N)CCCC2)cn1 ZINC000183671116 224926873 /nfs/dbraw/zinc/92/68/73/224926873.db2.gz CUYXCYAVZCVVCL-UHFFFAOYSA-N 0 0 306.329 2.161 10 30 DEEERN C[C@@H]1CN(C(=O)c2ccc(C#N)n2C)[C@H](c2ccccc2)CO1 ZINC000450050123 296917191 /nfs/dbraw/zinc/91/71/91/296917191.db2.gz RRTFTRWGTZHFOM-DYVFJYSZSA-N 0 0 309.369 2.499 10 30 DEEERN C[C@H](NC(=O)N[C@H]1CCCNC1=O)c1ccc2c(c1)OCO2 ZINC000328673034 225784342 /nfs/dbraw/zinc/78/43/42/225784342.db2.gz IRCOSMHMUOZYQU-ONGXEEELSA-N 0 0 305.334 2.099 10 30 DEEERN C[C@H]1OCC[C@H]1NC(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000329254552 225855589 /nfs/dbraw/zinc/85/55/89/225855589.db2.gz ZVPVMLVQAUNZKJ-RAIGVLPGSA-N 0 0 312.435 2.212 10 30 DEEERN O=C(N[C@H]1CCCOc2c(F)cccc21)N1CC(O)(C2CC2)C1 ZINC000329590810 225901303 /nfs/dbraw/zinc/90/13/03/225901303.db2.gz ZSEIROXXVOIHBF-AWEZNQCLSA-N 0 0 320.364 2.410 10 30 DEEERN N#C[C@H]1CN(C(=O)NCc2ccc(Cl)s2)CCN1C1CC1 ZINC000362849811 226904481 /nfs/dbraw/zinc/90/44/81/226904481.db2.gz DJEUBRXWIYVOJI-NSHDSACASA-N 0 0 324.837 2.283 10 30 DEEERN COc1cc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1F ZINC000364626810 226936586 /nfs/dbraw/zinc/93/65/86/226936586.db2.gz CXEXISGRTXGWAJ-CYBMUJFWSA-N 0 0 318.352 2.038 10 30 DEEERN N#C[C@H]1CN(C(=O)NCC2(c3ccccc3)CC2)CCN1C1CC1 ZINC000369233543 227027948 /nfs/dbraw/zinc/02/79/48/227027948.db2.gz VLCSURBJPWZQHL-KRWDZBQOSA-N 0 0 324.428 2.100 10 30 DEEERN Cc1cccc(C2(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)c1 ZINC000370971347 227060067 /nfs/dbraw/zinc/06/00/67/227060067.db2.gz CPKAPXFQNRPCRJ-QGZVFWFLSA-N 0 0 309.413 2.225 10 30 DEEERN C#C[C@H](C)NC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000291148941 222175135 /nfs/dbraw/zinc/17/51/35/222175135.db2.gz DXKVLPGKKZYNRO-NSHDSACASA-N 0 0 301.321 2.344 10 30 DEEERN C[C@@H](CC(=O)N1CCCC(C)(C)[C@@H]1C#N)N1CCCCC1=O ZINC000407985390 227226214 /nfs/dbraw/zinc/22/62/14/227226214.db2.gz NTIIRSOHWFKSLQ-KBPBESRZSA-N 0 0 305.422 2.318 10 30 DEEERN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000408336510 227232691 /nfs/dbraw/zinc/23/26/91/227232691.db2.gz AYZQLWKRDSAEOM-GHMZBOCLSA-N 0 0 302.378 2.210 10 30 DEEERN Cc1ccc(NC[C@@H](O)COc2ccc(F)c(F)c2)nc1C#N ZINC000302674456 230344928 /nfs/dbraw/zinc/34/49/28/230344928.db2.gz TVJDDMQAQCJFSD-LLVKDONJSA-N 0 0 319.311 2.392 10 30 DEEERN C=CCN1CC[C@@H](Nc2ccn(C3CCSCC3)n2)C1=O ZINC000634569393 422487074 /nfs/dbraw/zinc/48/70/74/422487074.db2.gz YVFBEWDJYUAIKG-CYBMUJFWSA-N 0 0 306.435 2.150 10 30 DEEERN N#Cc1cc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)ccn1 ZINC000193168489 424867284 /nfs/dbraw/zinc/86/72/84/424867284.db2.gz ARVJXBZFDZMWHU-HUUCEWRRSA-N 0 0 317.414 2.080 10 30 DEEERN N#CCC1(O)CN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000193987179 424873275 /nfs/dbraw/zinc/87/32/75/424873275.db2.gz APLOUIKGUSJXHX-UHFFFAOYSA-N 0 0 324.302 2.224 10 30 DEEERN C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1ccnc(C#N)c1 ZINC000194321798 424875273 /nfs/dbraw/zinc/87/52/73/424875273.db2.gz XWUFNTLDWVFRIT-CYBMUJFWSA-N 0 0 324.359 2.443 10 30 DEEERN N#Cc1cc(F)ccc1NC(=O)Cn1cnc2ccccc2c1=O ZINC000177561075 424863574 /nfs/dbraw/zinc/86/35/74/424863574.db2.gz PYAQZIHUGOAXDY-UHFFFAOYSA-N 0 0 322.299 2.046 10 30 DEEERN N#Cc1ccc(NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)nc1 ZINC000328635491 424901902 /nfs/dbraw/zinc/90/19/02/424901902.db2.gz UVZGJYZSOFCLAK-NSHDSACASA-N 0 0 321.306 2.843 10 30 DEEERN C=C(C)Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CCCS1 ZINC000581245260 424973425 /nfs/dbraw/zinc/97/34/25/424973425.db2.gz DYXPFPZMAGULNZ-LBPRGKRZSA-N 0 0 304.423 2.899 10 30 DEEERN C=CCNc1ncc(C(=O)NC[C@@]2(O)CCCC(C)(C)C2)s1 ZINC000438885744 425037163 /nfs/dbraw/zinc/03/71/63/425037163.db2.gz VJEZRJCMICBYLP-MRXNPFEDSA-N 0 0 323.462 2.802 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1 ZINC000598547623 425038766 /nfs/dbraw/zinc/03/87/66/425038766.db2.gz VRDJTKSXFFZWNW-GFCCVEGCSA-N 0 0 307.394 2.766 10 30 DEEERN N#Cc1ccc(Cl)cc1N1CC[C@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000600879961 425047260 /nfs/dbraw/zinc/04/72/60/425047260.db2.gz LTBNZUPMALNKCG-JTQLQIEISA-N 0 0 315.764 2.283 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528223883 266846872 /nfs/dbraw/zinc/84/68/72/266846872.db2.gz YJOSWCMIPBKWSI-YPENRWOSSA-N 0 0 302.399 2.251 10 30 DEEERN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)Cc2cccc(C#N)c2)C1 ZINC000531179099 267243581 /nfs/dbraw/zinc/24/35/81/267243581.db2.gz DACBMKLNCJXTII-WCJKSRRJSA-N 0 0 318.442 2.297 10 30 DEEERN Cc1cccc(C)c1NC(=O)CNC(=O)Cc1cccc(C#N)c1 ZINC000531149401 268051446 /nfs/dbraw/zinc/05/14/46/268051446.db2.gz XJCFVHWSYIHMRW-UHFFFAOYSA-N 0 0 321.380 2.473 10 30 DEEERN CC(=O)Nc1cccc2c1CCN(c1nc(C)cc(C#N)n1)C2 ZINC000374039480 275495876 /nfs/dbraw/zinc/49/58/76/275495876.db2.gz WZNVZRMQGPNRJX-UHFFFAOYSA-N 0 0 307.357 2.178 10 30 DEEERN CC(C)c1scnc1NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000329546298 276080025 /nfs/dbraw/zinc/08/00/25/276080025.db2.gz ICDQHIGKPGGWKE-NEPJUHHUSA-N 0 0 324.450 2.217 10 30 DEEERN CC1(C)C[C@@H](NC(=O)N2CCc3cncnc3C2)C(C)(C)O1 ZINC000329238457 276140460 /nfs/dbraw/zinc/14/04/60/276140460.db2.gz LDVDQOOYNCLDRZ-CYBMUJFWSA-N 0 0 304.394 2.095 10 30 DEEERN CN(C)C(=O)c1cc([N+](=O)[O-])cc2c(Cl)c(C#N)cnc12 ZINC000095937999 276759767 /nfs/dbraw/zinc/75/97/67/276759767.db2.gz FMNPIDJYMQZIIN-UHFFFAOYSA-N 0 0 304.693 2.370 10 30 DEEERN C=CCN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000428288084 276889164 /nfs/dbraw/zinc/88/91/64/276889164.db2.gz OVZXIASPTQTASQ-KKUMJFAQSA-N 0 0 300.406 2.259 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(CCO)C1CCC1 ZINC000288317212 277697781 /nfs/dbraw/zinc/69/77/81/277697781.db2.gz XILCSKSUMXGPRO-MRXNPFEDSA-N 0 0 300.402 2.177 10 30 DEEERN C=CC[C@H](C)NC(=O)N1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000378307112 277885280 /nfs/dbraw/zinc/88/52/80/277885280.db2.gz PFKZXLHXZLDZCH-SMDDNHRTSA-N 0 0 306.410 2.084 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CC[S@](=O)C(CC)(CC)C1 ZINC000438443098 277907642 /nfs/dbraw/zinc/90/76/42/277907642.db2.gz LKADBJNVLOOXJQ-BTYIYWSLSA-N 0 0 315.479 2.365 10 30 DEEERN C[C@@H]1OCC[C@@H]1S(=O)(=O)Oc1ccc(C#N)c(Cl)c1 ZINC000190545939 278057224 /nfs/dbraw/zinc/05/72/24/278057224.db2.gz OFSUNQYCBAACDJ-UFBFGSQYSA-N 0 0 301.751 2.098 10 30 DEEERN CC1(C)CN(CCS(=O)(=O)c2cccc(C#N)c2)CCS1 ZINC000156836101 278333464 /nfs/dbraw/zinc/33/34/64/278333464.db2.gz VKFSMJXHKPYLOQ-UHFFFAOYSA-N 0 0 324.471 2.159 10 30 DEEERN CC(C)[C@@H](NC(=O)NC(C)(C)C)C(=O)N1CCC(C)(C#N)CC1 ZINC000356985163 279888023 /nfs/dbraw/zinc/88/80/23/279888023.db2.gz YDEXIMPEHQGBCE-CYBMUJFWSA-N 0 0 322.453 2.261 10 30 DEEERN CC1(C#N)CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000374861583 280848281 /nfs/dbraw/zinc/84/82/81/280848281.db2.gz ZZMFGGVHNUVBMR-MJBXVCDLSA-N 0 0 303.406 2.279 10 30 DEEERN CCn1c2ccc(F)cc2nc1Cn1c(C)nc(C#N)c1C#N ZINC000135486816 282074185 /nfs/dbraw/zinc/07/41/85/282074185.db2.gz VNRUCCTYEXVCPJ-UHFFFAOYSA-N 0 0 308.320 2.492 10 30 DEEERN COC[C@](C)(NC(=O)COc1ccccc1C#N)C(F)(F)F ZINC000437192084 293252933 /nfs/dbraw/zinc/25/29/33/293252933.db2.gz WTKANRNZAKMWIP-ZDUSSCGKSA-N 0 0 316.279 2.021 10 30 DEEERN O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328727761 295384277 /nfs/dbraw/zinc/38/42/77/295384277.db2.gz GMJQOSPENRNOAX-VNHYZAJKSA-N 0 0 322.792 2.341 10 30 DEEERN N#CC1(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)CCCCC1 ZINC000408128901 303139659 /nfs/dbraw/zinc/13/96/59/303139659.db2.gz LWDQAJSFQAQQIG-OAHLLOKOSA-N 0 0 317.433 2.321 10 30 DEEERN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328856001 303511628 /nfs/dbraw/zinc/51/16/28/303511628.db2.gz XDRTVOZNYBFDOH-JARUQAPTSA-N 0 0 306.406 2.015 10 30 DEEERN C=CCCCCCNC(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000565958483 331910125 /nfs/dbraw/zinc/91/01/25/331910125.db2.gz AXYHNJNAUOPPAP-CQSZACIVSA-N 0 0 303.410 2.419 10 30 DEEERN C=CCN(CCOC)C(=O)CC1CCC(C(=O)OCC)CC1 ZINC000574206291 332332583 /nfs/dbraw/zinc/33/25/83/332332583.db2.gz UPYYXFNFSPYXDU-UHFFFAOYSA-N 0 0 311.422 2.407 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000560519856 332349789 /nfs/dbraw/zinc/34/97/89/332349789.db2.gz QZYLGONXCOWCHK-CABCVRRESA-N 0 0 313.357 2.083 10 30 DEEERN C=CCCCCCNC(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000517038503 333136504 /nfs/dbraw/zinc/13/65/04/333136504.db2.gz DQMUQHFITDFGMY-OAHLLOKOSA-N 0 0 305.426 2.446 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000563087307 333365557 /nfs/dbraw/zinc/36/55/57/333365557.db2.gz YMYGDHRLUIAFOI-OAGGEKHMSA-N 0 0 308.422 2.463 10 30 DEEERN C=C(C)CN(CC)C(=O)NCCCNC(=O)c1ccccc1 ZINC000340023630 333776061 /nfs/dbraw/zinc/77/60/61/333776061.db2.gz NEGQEJBYKJGSST-UHFFFAOYSA-N 0 0 303.406 2.414 10 30 DEEERN C=CCCCCCNC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000519420884 335847583 /nfs/dbraw/zinc/84/75/83/335847583.db2.gz SVKZYPKCLKHGIZ-CHWSQXEVSA-N 0 0 304.456 2.196 10 30 DEEERN C=CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](COC)CC1 ZINC000563936982 336386965 /nfs/dbraw/zinc/38/69/65/336386965.db2.gz OIOQXAWSRGONIS-LSDHHAIUSA-N 0 0 320.437 2.221 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000563953403 336388687 /nfs/dbraw/zinc/38/86/87/336388687.db2.gz KEPLTXDLTNOPMI-ZQNQSHIBSA-N 0 0 308.422 2.080 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1sc([C@H]2CCCOC2)nc1C ZINC000582588221 337110357 /nfs/dbraw/zinc/11/03/57/337110357.db2.gz PYGUVKJJNVNQKI-XQQFMLRXSA-N 0 0 322.430 2.419 10 30 DEEERN C=CCCC(=O)NC[C@H](Cc1ccc(F)cc1C)C(=O)NC ZINC000582787400 337165743 /nfs/dbraw/zinc/16/57/43/337165743.db2.gz HTYFELCDNUAHJU-AWEZNQCLSA-N 0 0 306.381 2.121 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000185419824 337205297 /nfs/dbraw/zinc/20/52/97/337205297.db2.gz JAIQLYISBSMCHP-LLVKDONJSA-N 0 0 322.434 2.318 10 30 DEEERN C=CCn1cc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)nn1 ZINC000582843344 337208324 /nfs/dbraw/zinc/20/83/24/337208324.db2.gz XQWQXUVTRJZQDH-UHFFFAOYSA-N 0 0 314.349 2.258 10 30 DEEERN CC(=O)N1CC[C@H](NC(=O)C(C)(C)C#N)c2ccc(F)cc2C1 ZINC000185513370 337248764 /nfs/dbraw/zinc/24/87/64/337248764.db2.gz CJCSJPSGVNLYTD-HNNXBMFYSA-N 0 0 317.364 2.285 10 30 DEEERN C=C(C)CN(Cc1ccccc1)C(=O)[C@H](O)C1CCOCC1 ZINC000525939531 337288158 /nfs/dbraw/zinc/28/81/58/337288158.db2.gz QCODOGAWANXUKY-QGZVFWFLSA-N 0 0 303.402 2.379 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000584589809 337370490 /nfs/dbraw/zinc/37/04/90/337370490.db2.gz TWOGDJFSHQBNOU-AWEZNQCLSA-N 0 0 313.401 2.230 10 30 DEEERN N#Cc1cccc(-c2cnc3[n-][nH+]cc(N4CCOCC4)c2-3)c1F ZINC000584598820 337370544 /nfs/dbraw/zinc/37/05/44/337370544.db2.gz MPIIILHSPKHEQY-UHFFFAOYSA-N 0 0 323.331 2.472 10 30 DEEERN CCOC(=O)C1=C(O)C(I)=CC[C@H]1C ZINC000584604457 337371293 /nfs/dbraw/zinc/37/12/93/337371293.db2.gz FLVMILNKUYAVIL-HTRCEHHLSA-N 0 0 308.115 2.094 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)OCC2(CC#N)CC2)C1 ZINC000174741678 340395461 /nfs/dbraw/zinc/39/54/61/340395461.db2.gz PACDJVZEVPZFDU-GFCCVEGCSA-N 0 0 308.378 2.480 10 30 DEEERN CC#CCCNC(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000544581070 341087192 /nfs/dbraw/zinc/08/71/92/341087192.db2.gz GNQYKOSCZGTUJP-UHFFFAOYSA-N 0 0 317.408 2.111 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](CC)C3)cc2C1=O ZINC000131816176 341112097 /nfs/dbraw/zinc/11/20/97/341112097.db2.gz YYJJUCDBAVVKBH-LBPRGKRZSA-N 0 0 312.369 2.341 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000545216601 341114791 /nfs/dbraw/zinc/11/47/91/341114791.db2.gz SMHGVVLHQYBCGE-ZDUSSCGKSA-N 0 0 318.377 2.241 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1c(C)nn(Cc2ccccc2)c1C ZINC000545284440 341119300 /nfs/dbraw/zinc/11/93/00/341119300.db2.gz JILGFRPUJLIRGJ-MRXNPFEDSA-N 0 0 313.401 2.215 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000547764060 341231023 /nfs/dbraw/zinc/23/10/23/341231023.db2.gz QUOHFMUPTWRREZ-SUMWQHHRSA-N 0 0 303.358 2.406 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC000549294350 341290553 /nfs/dbraw/zinc/29/05/53/341290553.db2.gz VQOWXWPVTUPHFD-ZDUSSCGKSA-N 0 0 300.410 2.144 10 30 DEEERN C=CCn1c(N2CCO[C@@H](C3CC3)C2)nnc1[C@@]1(C)CCCO1 ZINC000568190379 341657597 /nfs/dbraw/zinc/65/75/97/341657597.db2.gz FSQDJRQZWDSMGA-RHSMWYFYSA-N 0 0 318.421 2.105 10 30 DEEERN COc1ccc(Br)cc1CC(=O)NC[C@H](C)C#N ZINC000173648222 341818094 /nfs/dbraw/zinc/81/80/94/341818094.db2.gz IWTHGTFVPDIJQS-SECBINFHSA-N 0 0 311.179 2.276 10 30 DEEERN C=CCCCNC(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000576223057 341834518 /nfs/dbraw/zinc/83/45/18/341834518.db2.gz PVPCQUTYKYORQM-UHFFFAOYSA-N 0 0 321.343 2.053 10 30 DEEERN C=CCN(C)c1nnc([C@]2(C)CCCO2)n1C[C@@H]1CCCO1 ZINC000576590587 341854065 /nfs/dbraw/zinc/85/40/65/341854065.db2.gz XUPYXBGRRWIZFE-BBRMVZONSA-N 0 0 306.410 2.105 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000577355037 341905578 /nfs/dbraw/zinc/90/55/78/341905578.db2.gz CORHRTLZSXJBQD-YUELXQCFSA-N 0 0 300.358 2.175 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@H]2C[C@H](c3ccccc3C)C2)C1=O ZINC000348650193 341954503 /nfs/dbraw/zinc/95/45/03/341954503.db2.gz HZEAGILSGIUZEL-DZKIICNBSA-N 0 0 314.385 2.364 10 30 DEEERN CCCN(CC#N)C(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 ZINC000128455648 500662728 /nfs/dbraw/zinc/66/27/28/500662728.db2.gz WYNVYDBRCXYNOF-ZBFHGGJFSA-N 0 0 313.401 2.358 10 30 DEEERN CS[C@@H]1CCC[C@@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000363227086 533948554 /nfs/dbraw/zinc/94/85/54/533948554.db2.gz CXHMBYJDDKOUTQ-VHDGCEQUSA-N 0 0 322.478 2.042 10 30 DEEERN C#CCOC[C@@H](O)CN(Cc1ccco1)Cc1ccccc1F ZINC000036103007 518305430 /nfs/dbraw/zinc/30/54/30/518305430.db2.gz UXKPEIXTOAHIJD-INIZCTEOSA-N 0 0 317.360 2.432 10 30 DEEERN CCCC1N=NC(=S)N1N=Cc1ccc(OC)c(OC)c1 ZINC000035418290 521568621 /nfs/dbraw/zinc/56/86/21/521568621.db2.gz UEQRVUHAWYPPBK-DHDCSXOGSA-N 0 0 306.391 2.419 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000460004551 534762549 /nfs/dbraw/zinc/76/25/49/534762549.db2.gz AYCQBMWZXPWXFW-MRXNPFEDSA-N 0 0 318.392 2.394 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000456764744 534790539 /nfs/dbraw/zinc/79/05/39/534790539.db2.gz FTEWGCPSPIZRRZ-JTQLQIEISA-N 0 0 303.318 2.133 10 30 DEEERN Cc1ccc(N2CCc3c(nnn3-c3ccccc3)C2)nc1C#N ZINC000366410447 524977268 /nfs/dbraw/zinc/97/72/68/524977268.db2.gz HIRSABWAFZXLJR-UHFFFAOYSA-N 0 0 316.368 2.405 10 30 DEEERN CC#CCN(C)C(=O)Cc1cc(Br)ccc1OC ZINC000294643063 526347178 /nfs/dbraw/zinc/34/71/78/526347178.db2.gz SUOXYIQCJKLXEE-UHFFFAOYSA-N 0 0 310.191 2.482 10 30 DEEERN C=CCN(c1ccccc1)S(=O)(=O)c1cnc2n1CCC2 ZINC000355584785 526385482 /nfs/dbraw/zinc/38/54/82/526385482.db2.gz OQVIZDHVMNDCOX-UHFFFAOYSA-N 0 0 303.387 2.211 10 30 DEEERN C=CCN(c1ccccc1)S(=O)(=O)c1c(Cl)cnn1C ZINC000362376039 526386031 /nfs/dbraw/zinc/38/60/31/526386031.db2.gz ODMZYZHPGPYSNP-UHFFFAOYSA-N 0 0 311.794 2.455 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCC[C@H]3C)cc2C1=O ZINC000337137302 526411441 /nfs/dbraw/zinc/41/14/41/526411441.db2.gz FHYILCCDJYGTFG-ABAIWWIYSA-N 0 0 312.369 2.387 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)c2coc3cc(F)ccc23)C1=O ZINC000337094372 526466845 /nfs/dbraw/zinc/46/68/45/526466845.db2.gz OVCSXOWPSYAZJY-CQSZACIVSA-N 0 0 316.332 2.431 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000339734541 526479020 /nfs/dbraw/zinc/47/90/20/526479020.db2.gz WYQSRRYIYQRSJS-NSHDSACASA-N 0 0 308.353 2.046 10 30 DEEERN C=CCN1CC[C@@H](N2CCC[C@@]3(C2)OCc2ccccc23)C1=O ZINC000337204323 526479163 /nfs/dbraw/zinc/47/91/63/526479163.db2.gz IUTONQQLVROSHX-MJGOQNOKSA-N 0 0 312.413 2.295 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)Nc1cc(OC)cc(OC)c1C ZINC000337595113 526516037 /nfs/dbraw/zinc/51/60/37/526516037.db2.gz AOXRVGZHCUQYTD-UHFFFAOYSA-N 0 0 320.389 2.375 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)[C@@H](C)OC ZINC000360679886 526555753 /nfs/dbraw/zinc/55/57/53/526555753.db2.gz DLBIUNUEMFHEOG-CHWSQXEVSA-N 0 0 310.394 2.283 10 30 DEEERN C=C(C)COCCNC(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000135027126 526636386 /nfs/dbraw/zinc/63/63/86/526636386.db2.gz FMIKMVZNZICCQH-CYBMUJFWSA-N 0 0 310.419 2.424 10 30 DEEERN C=C(C)COCCNS(=O)(=O)c1ccc2ncsc2c1 ZINC000356473198 526655562 /nfs/dbraw/zinc/65/55/62/526655562.db2.gz CXQUCNNQWHDXDO-UHFFFAOYSA-N 0 0 312.416 2.167 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CCCO[C@H]1C ZINC000191700352 526660964 /nfs/dbraw/zinc/66/09/64/526660964.db2.gz QEIYCDOMXKRWGV-STQMWFEESA-N 0 0 302.374 2.356 10 30 DEEERN C#CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000185857877 526667304 /nfs/dbraw/zinc/66/73/04/526667304.db2.gz OFXQPLMEZMSUIN-HNNXBMFYSA-N 0 0 304.434 2.333 10 30 DEEERN CC(=O)N1CCc2cc(NC(=O)N[C@@H]3CCC[C@@H]3C#N)ccc21 ZINC000408235683 526673120 /nfs/dbraw/zinc/67/31/20/526673120.db2.gz LDOYXESIQKOXOW-UKRRQHHQSA-N 0 0 312.373 2.409 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000185891615 526705211 /nfs/dbraw/zinc/70/52/11/526705211.db2.gz WZVJNHIPSQYYHX-IHRRRGAJSA-N 0 0 301.452 2.403 10 30 DEEERN C=CCOCCNC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000370358673 526774844 /nfs/dbraw/zinc/77/48/44/526774844.db2.gz QTIXFYBMTFCJQJ-UHFFFAOYSA-N 0 0 304.321 2.342 10 30 DEEERN C=CCOCCNC(=O)NCc1ccccc1-c1cnn(C)c1 ZINC000371648163 526778228 /nfs/dbraw/zinc/77/82/28/526778228.db2.gz XDVIFYOKTCDVQZ-UHFFFAOYSA-N 0 0 314.389 2.089 10 30 DEEERN C=CCOCCNC(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1 ZINC000369930035 526779598 /nfs/dbraw/zinc/77/95/98/526779598.db2.gz KNONJOKYJVZXSD-INIZCTEOSA-N 0 0 317.433 2.466 10 30 DEEERN C=CCOCCNC(=O)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000371645605 526780834 /nfs/dbraw/zinc/78/08/34/526780834.db2.gz IUHPYSLFXUKHFU-ZDUSSCGKSA-N 0 0 322.430 2.062 10 30 DEEERN C=CCOCCNC(=O)[C@H](c1ccccc1)N1CCCCC1=O ZINC000378585979 526781260 /nfs/dbraw/zinc/78/12/60/526781260.db2.gz FAWIPBXTZORMFV-KRWDZBQOSA-N 0 0 316.401 2.059 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N(C)CC1(CO)CC1 ZINC000351986181 526823039 /nfs/dbraw/zinc/82/30/39/526823039.db2.gz GLPSOHMIYRWCKG-UHFFFAOYSA-N 0 0 305.374 2.105 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000368250774 526840475 /nfs/dbraw/zinc/84/04/75/526840475.db2.gz RXJYMYVPRZOHEL-BFHYXJOUSA-N 0 0 309.797 2.291 10 30 DEEERN C=CCOc1ccc(CNC(=O)N2CCC[C@H](O)[C@@H]2C)cc1 ZINC000296613207 526876425 /nfs/dbraw/zinc/87/64/25/526876425.db2.gz MAINNQIIXFDFST-BBRMVZONSA-N 0 0 304.390 2.306 10 30 DEEERN CC(C)(C)c1ncc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 ZINC000370994681 526877682 /nfs/dbraw/zinc/87/76/82/526877682.db2.gz VRVPHLZSRWQRLI-LBPRGKRZSA-N 0 0 318.446 2.253 10 30 DEEERN C=CCOc1ccccc1CNC(=O)NCC[C@@H]1CCOC1 ZINC000343831871 526942116 /nfs/dbraw/zinc/94/21/16/526942116.db2.gz NSWRXVFDHSSMSR-CQSZACIVSA-N 0 0 304.390 2.477 10 30 DEEERN C=CC(C)(C)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)OC ZINC000448919384 526944424 /nfs/dbraw/zinc/94/44/24/526944424.db2.gz AKWQIFVJIBBCMP-ZDUSSCGKSA-N 0 0 307.365 2.486 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CC[C@]2(C1)CCCOC2 ZINC000342663110 526958171 /nfs/dbraw/zinc/95/81/71/526958171.db2.gz LKGCLUKLDYHECZ-KRWDZBQOSA-N 0 0 302.374 2.289 10 30 DEEERN C=CC[C@@H](C(=O)NC[C@@H]1CN(C2CC2)CCO1)c1ccccc1 ZINC000189610099 527016110 /nfs/dbraw/zinc/01/61/10/527016110.db2.gz GMCZLJAXGWZFCZ-QZTJIDSGSA-N 0 0 314.429 2.326 10 30 DEEERN C=CC[C@@H](CC)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C ZINC000341644880 527049323 /nfs/dbraw/zinc/04/93/23/527049323.db2.gz GFIYTTDNDQWVBF-HIFRSBDPSA-N 0 0 303.406 2.307 10 30 DEEERN C=CCC1(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)CCC1 ZINC000374766021 527053843 /nfs/dbraw/zinc/05/38/43/527053843.db2.gz URVDQFWFDGIPNP-GJZGRUSLSA-N 0 0 307.434 2.417 10 30 DEEERN C=CCC1(C(=O)NCc2cccnc2OCC)CCOCC1 ZINC000424578347 527056223 /nfs/dbraw/zinc/05/62/23/527056223.db2.gz XFACORVNIUVOQP-UHFFFAOYSA-N 0 0 304.390 2.469 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)NCCc1cccc2[nH]ccc21 ZINC000337931194 527063289 /nfs/dbraw/zinc/06/32/89/527063289.db2.gz XDJZNVTXUDRYEP-CYBMUJFWSA-N 0 0 301.390 2.194 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)Nc1cc(OC)cc(OC)c1C ZINC000337609898 527068616 /nfs/dbraw/zinc/06/86/16/527068616.db2.gz UAGONDKZEFWRLL-GFCCVEGCSA-N 0 0 308.378 2.318 10 30 DEEERN C#CCO[C@@H](C)C(=O)O[C@H]1CCc2cc(Br)cnc21 ZINC000295914853 527078444 /nfs/dbraw/zinc/07/84/44/527078444.db2.gz AVOYRPCEDIDLHC-CABZTGNLSA-N 0 0 324.174 2.413 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000340189528 527085846 /nfs/dbraw/zinc/08/58/46/527085846.db2.gz QKUUIULBKPBGPU-KRWDZBQOSA-N 0 0 324.380 2.345 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000337044828 527099248 /nfs/dbraw/zinc/09/92/48/527099248.db2.gz DWXFAYHTHVBRMY-JTQLQIEISA-N 0 0 313.279 2.020 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000369880996 527113066 /nfs/dbraw/zinc/11/30/66/527113066.db2.gz DDKKZYJFVYRMFE-BETUJISGSA-N 0 0 304.321 2.233 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1C[C@@H](OC)C[C@H]1CC(=O)OCC ZINC000341442933 527149671 /nfs/dbraw/zinc/14/96/71/527149671.db2.gz ZBYOOZOQIPLRJH-IHRRRGAJSA-N 0 0 312.410 2.093 10 30 DEEERN C=CCCCCNC(=O)N1C[C@H](OC)C[C@@H]1CC(=O)OCC ZINC000369964131 527155337 /nfs/dbraw/zinc/15/53/37/527155337.db2.gz KMWSRQWIMQJOGO-ZIAGYGMSSA-N 0 0 312.410 2.095 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](OC)C1CC1 ZINC000296756701 527161554 /nfs/dbraw/zinc/16/15/54/527161554.db2.gz YNRLDCKECCGVGO-DLBZAZTESA-N 0 0 300.402 2.345 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000410688152 527174093 /nfs/dbraw/zinc/17/40/93/527174093.db2.gz MERVVAPJZUGNFG-UHFFFAOYSA-N 0 0 322.449 2.361 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000341850084 527174750 /nfs/dbraw/zinc/17/47/50/527174750.db2.gz WXUAQPYKSIVZPW-RYUDHWBXSA-N 0 0 310.369 2.379 10 30 DEEERN C#CC[C@H](NC(=O)C[C@@H]1CCOC[C@@H]1OC)c1ccccc1 ZINC000296625768 527174767 /nfs/dbraw/zinc/17/47/67/527174767.db2.gz VIGCDYVPAURVIF-ULQDDVLXSA-N 0 0 301.386 2.309 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCc2c(F)cc(F)cc2C1 ZINC000410885273 527175451 /nfs/dbraw/zinc/17/54/51/527175451.db2.gz LRJAJDBBNXVLMG-UHFFFAOYSA-N 0 0 322.355 2.274 10 30 DEEERN C=CCCCN(C)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000077550223 527182773 /nfs/dbraw/zinc/18/27/73/527182773.db2.gz QATCKOJNUIFNKD-UHFFFAOYSA-N 0 0 319.405 2.492 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cnc(Br)c(C)c1 ZINC000184249712 527204146 /nfs/dbraw/zinc/20/41/46/527204146.db2.gz PSBAINBIROCUQL-SECBINFHSA-N 0 0 314.183 2.211 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cc(NC(=O)CC)ccc1C ZINC000448376465 527209555 /nfs/dbraw/zinc/20/95/55/527209555.db2.gz QZBZPSRFASQFEV-UHFFFAOYSA-N 0 0 317.389 2.364 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccccc1-c1nnc(C)o1 ZINC000448378819 527210989 /nfs/dbraw/zinc/21/09/89/527210989.db2.gz VNRKOHLSZGIPJR-UHFFFAOYSA-N 0 0 314.345 2.066 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000448371396 527211232 /nfs/dbraw/zinc/21/12/32/527211232.db2.gz DJGHXBWTHSXAQC-UHFFFAOYSA-N 0 0 311.179 2.470 10 30 DEEERN C=CCCCNC(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000448380323 527217720 /nfs/dbraw/zinc/21/77/20/527217720.db2.gz FGOHEUWLLKNMBP-XHSDSOJGSA-N 0 0 309.454 2.236 10 30 DEEERN C=CC[C@H]1N(C(=O)C(=O)NCc2cscn2)CCCC1(C)C ZINC000357881853 527222713 /nfs/dbraw/zinc/22/27/13/527222713.db2.gz PFFIGKASHUQHLN-CYBMUJFWSA-N 0 0 321.446 2.353 10 30 DEEERN C=CCCCNS(=O)(=O)c1cc(C(=O)OC)c(F)cc1C ZINC000292470410 527234870 /nfs/dbraw/zinc/23/48/70/527234870.db2.gz ZPXMPJQRSQXBNU-UHFFFAOYSA-N 0 0 315.366 2.165 10 30 DEEERN C=CCc1ccc(OCC(=O)N2CC[C@]23CCOC3)c(OC)c1 ZINC000422094128 527249337 /nfs/dbraw/zinc/24/93/37/527249337.db2.gz SJVPQXWKYKOFQP-GOSISDBHSA-N 0 0 317.385 2.194 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)CS(=O)(=O)NC ZINC000188066955 527257886 /nfs/dbraw/zinc/25/78/86/527257886.db2.gz SZLLWMHLABWTLP-UHFFFAOYSA-N 0 0 310.419 2.026 10 30 DEEERN C=CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](C2CC2)C1 ZINC000337867353 527276812 /nfs/dbraw/zinc/27/68/12/527276812.db2.gz RDISFFNVMZKGOF-OAHLLOKOSA-N 0 0 313.405 2.085 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N1CCO[C@@H](C2CC2)C1 ZINC000337893341 527280482 /nfs/dbraw/zinc/28/04/82/527280482.db2.gz BMCFMBRLYPMBMZ-CQSZACIVSA-N 0 0 300.362 2.339 10 30 DEEERN C=CCCN(C)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000342533512 527311246 /nfs/dbraw/zinc/31/12/46/527311246.db2.gz JVJUSORLLHYAPV-OAHLLOKOSA-N 0 0 301.390 2.400 10 30 DEEERN C=CCn1c(S[C@@H]2CCNC2=O)nnc1-c1cccc(C)c1 ZINC000179006673 527345505 /nfs/dbraw/zinc/34/55/05/527345505.db2.gz FVIDHDJTVNGXEC-CYBMUJFWSA-N 0 0 314.414 2.420 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000345633494 527382195 /nfs/dbraw/zinc/38/21/95/527382195.db2.gz NCUNWHHYFIFNOW-STQMWFEESA-N 0 0 306.410 2.163 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000116772934 527389901 /nfs/dbraw/zinc/38/99/01/527389901.db2.gz NOOWVWKIZQPAKI-CZUORRHYSA-N 0 0 320.437 2.115 10 30 DEEERN C#Cc1ccc(CNC(=O)NCCCOC[C@@H]2CCCO2)cc1 ZINC000297634163 527435872 /nfs/dbraw/zinc/43/58/72/527435872.db2.gz HLVXBOXGPCTPAO-KRWDZBQOSA-N 0 0 316.401 2.053 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CCc3ccccc3[C@@H]2CO)cc1 ZINC000297525582 527436058 /nfs/dbraw/zinc/43/60/58/527436058.db2.gz HWIGGIJVFMMDBT-IBGZPJMESA-N 0 0 320.392 2.469 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@@H]2CSCCS2)cc1 ZINC000298043518 527437558 /nfs/dbraw/zinc/43/75/58/527437558.db2.gz UDTRFMDHNBATHT-CQSZACIVSA-N 0 0 306.456 2.316 10 30 DEEERN C#Cc1ccccc1CC(=O)N1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000368108950 527462482 /nfs/dbraw/zinc/46/24/82/527462482.db2.gz LTRSBELRLCTZOI-PKOBYXMFSA-N 0 0 313.397 2.007 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000424935148 527497213 /nfs/dbraw/zinc/49/72/13/527497213.db2.gz WWBZSSHMAPAXSH-BONVTDFDSA-N 0 0 315.329 2.397 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NCC1(CCO)CC1 ZINC000337669707 527500954 /nfs/dbraw/zinc/50/09/54/527500954.db2.gz VJNYAYVNOKVCBT-UHFFFAOYSA-N 0 0 316.401 2.023 10 30 DEEERN C=CCCn1cc(C(=O)N[C@H]2C[C@]2(F)c2ccccc2)nn1 ZINC000424982449 527529084 /nfs/dbraw/zinc/52/90/84/527529084.db2.gz OHYSNIUCLNMNNO-HOCLYGCPSA-N 0 0 300.337 2.221 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H](C)SCc1ccnc(OC)n1 ZINC000419511822 527630815 /nfs/dbraw/zinc/63/08/15/527630815.db2.gz YUNQRFWLAJVZFQ-GFCCVEGCSA-N 0 0 307.419 2.308 10 30 DEEERN CC(C)[C@H](O)C1(CNC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000440983614 527715109 /nfs/dbraw/zinc/71/51/09/527715109.db2.gz KNIRFUDJLPOSJW-NRXISQOPSA-N 0 0 307.438 2.413 10 30 DEEERN CCOC(C)(C)CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000188962486 528416316 /nfs/dbraw/zinc/41/63/16/528416316.db2.gz HMEMBSTYCRVPEJ-UHFFFAOYSA-N 0 0 305.378 2.051 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCO[C@@H](c2cccs2)C1 ZINC000247396870 528623632 /nfs/dbraw/zinc/62/36/32/528623632.db2.gz LXLSNBBNFASJMP-UONOGXRCSA-N 0 0 321.446 2.130 10 30 DEEERN CCCc1cnc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)s1 ZINC000378459482 528654165 /nfs/dbraw/zinc/65/41/65/528654165.db2.gz ZUNOBWRKOAUKDN-GFCCVEGCSA-N 0 0 319.434 2.300 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)C3=C(C)OCCC3)C2)n1 ZINC000328613132 528747511 /nfs/dbraw/zinc/74/75/11/528747511.db2.gz QVDRNZAXPRBJLM-CYBMUJFWSA-N 0 0 318.377 2.349 10 30 DEEERN CC(C)[C@H](C)NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000246823773 528965902 /nfs/dbraw/zinc/96/59/02/528965902.db2.gz WLXOVZQTNIKVGC-RDJZCZTQSA-N 0 0 314.433 2.450 10 30 DEEERN CC(C)NC(=O)NC1(C(=O)N[C@H]2CCC[C@@H]2C#N)CCCCC1 ZINC000408288757 529136543 /nfs/dbraw/zinc/13/65/43/529136543.db2.gz ZZXQITPIGBSJAP-KGLIPLIRSA-N 0 0 320.437 2.205 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@@H]1CCC[C@H]1C(=O)N[C@H](CC)CC#N ZINC000248395823 529298955 /nfs/dbraw/zinc/29/89/55/529298955.db2.gz JORZGUAEMJQXEE-KBUPBQIOSA-N 0 0 318.421 2.020 10 30 DEEERN COCCOc1ccc(NC(=O)c2ccnc(C#N)c2)cc1F ZINC000192882506 536666937 /nfs/dbraw/zinc/66/69/37/536666937.db2.gz BMNBCMPLAJLHCC-UHFFFAOYSA-N 0 0 315.304 2.370 10 30 DEEERN N#CC1(C(=O)Nc2ccc(-n3ccc(=O)cc3)nc2)CCCC1 ZINC000185131114 625360305 /nfs/dbraw/zinc/36/03/05/625360305.db2.gz XFEWEBWAVOPCQT-UHFFFAOYSA-N 0 0 308.341 2.255 10 30 DEEERN CC(C)(C)OC(=O)N(CCNc1cnc(C#N)cn1)C1CC1 ZINC000123572043 625580990 /nfs/dbraw/zinc/58/09/90/625580990.db2.gz YVOAUYZEHZCXRJ-UHFFFAOYSA-N 0 0 303.366 2.160 10 30 DEEERN CC(=O)N1CSC[C@H]1C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000175779520 623133105 /nfs/dbraw/zinc/13/31/05/623133105.db2.gz LYANKYAQPBWEJM-HZMBPMFUSA-N 0 0 304.371 2.084 10 30 DEEERN COc1ccccc1[C@@H](O)CNC(=O)/C=C\c1ccccc1C#N ZINC000255072581 623374569 /nfs/dbraw/zinc/37/45/69/623374569.db2.gz TXOXXXVGHSXUOG-MQNTZWLQSA-N 0 0 322.364 2.430 10 30 DEEERN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C#N)cn2C)c1 ZINC000176091133 624623670 /nfs/dbraw/zinc/62/36/70/624623670.db2.gz VEFRFGKEROKDBB-AWEZNQCLSA-N 0 0 306.325 2.166 10 30 DEEERN C#CCOc1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177808145 625092639 /nfs/dbraw/zinc/09/26/39/625092639.db2.gz XCUDKJKXZABJOE-MRXNPFEDSA-N 0 0 309.369 2.200 10 30 DEEERN COC(=O)C1CCC(C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000180270748 625182946 /nfs/dbraw/zinc/18/29/46/625182946.db2.gz ZZFWWDJUOSTYBD-UHFFFAOYSA-N 0 0 318.348 2.293 10 30 DEEERN Cc1cccn2c1ncc(C(=O)OCC(C)(C)CCC#N)c2=O ZINC000195039421 625766944 /nfs/dbraw/zinc/76/69/44/625766944.db2.gz VXILVUBVHDIGAE-UHFFFAOYSA-N 0 0 313.357 2.490 10 30 DEEERN C=C(COC(=O)c1cccc(NC(=O)C2CC2)c1)C(=O)OCC ZINC000734026820 633313021 /nfs/dbraw/zinc/31/30/21/633313021.db2.gz AJZIVVVZENHSBA-UHFFFAOYSA-N 0 0 317.341 2.311 10 30 DEEERN C=C(COC(=O)c1cccc(NC(=O)CC)c1)C(=O)OCC ZINC000734029282 633313199 /nfs/dbraw/zinc/31/31/99/633313199.db2.gz KSXFZGDMVJYCQK-UHFFFAOYSA-N 0 0 305.330 2.311 10 30 DEEERN C=C(COC(=O)Cc1nc(-c2ccco2)oc1C)C(=O)OCC ZINC000734029950 633313694 /nfs/dbraw/zinc/31/36/94/633313694.db2.gz OIYWMURNTXWMDV-UHFFFAOYSA-N 0 0 319.313 2.448 10 30 DEEERN C=CC[C@@H](NC(=O)[C@H]1CSCN1C(=O)CC)c1ccncc1 ZINC000734458374 633375663 /nfs/dbraw/zinc/37/56/63/633375663.db2.gz XYUQMPCXSPSCBI-ZIAGYGMSSA-N 0 0 319.430 2.127 10 30 DEEERN C#CCCNC(=O)N(CCCOC)CCc1ccc(OC)cc1 ZINC000734531330 633389299 /nfs/dbraw/zinc/38/92/99/633389299.db2.gz JKLLDNFBKFOYPZ-UHFFFAOYSA-N 0 0 318.417 2.309 10 30 DEEERN CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[S@@](=O)CC ZINC000735109766 633467479 /nfs/dbraw/zinc/46/74/79/633467479.db2.gz JSUWFXFUAYKAPV-QFIPXVFZSA-N 0 0 321.446 2.248 10 30 DEEERN N#CCOc1ccc(Cl)cc1Cn1cc([N+](=O)[O-])ccc1=O ZINC000735230811 633488399 /nfs/dbraw/zinc/48/83/99/633488399.db2.gz JIXOSEOZZZUSAA-UHFFFAOYSA-N 0 0 319.704 2.361 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)NCc1ccccc1OC1CCC1 ZINC000735663025 633527039 /nfs/dbraw/zinc/52/70/39/633527039.db2.gz LSIHTIIHOXOVTP-KRWDZBQOSA-N 0 0 312.413 2.332 10 30 DEEERN C=C(Cl)CNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C ZINC000736246730 633583069 /nfs/dbraw/zinc/58/30/69/633583069.db2.gz JCQQHXBDWUIUJZ-UHFFFAOYSA-N 0 0 306.753 2.034 10 30 DEEERN C=C(CSc1nnnn1-c1ccc(C)cc1C)C(=O)OCC ZINC000190926365 636367028 /nfs/dbraw/zinc/36/70/28/636367028.db2.gz ZOWMMZDXDIZQJG-UHFFFAOYSA-N 0 0 318.402 2.491 10 30 DEEERN C[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)c1ccccc1 ZINC000742174637 637328581 /nfs/dbraw/zinc/32/85/81/637328581.db2.gz ABHDNJQMMHSEPS-GFCCVEGCSA-N 0 0 315.398 2.421 10 30 DEEERN C=C(Br)CNC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000049281015 637534712 /nfs/dbraw/zinc/53/47/12/637534712.db2.gz XIKLMJHHDZTHOO-UHFFFAOYSA-N 0 0 307.147 2.167 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CCOC[C@H]1C ZINC000193897260 637556050 /nfs/dbraw/zinc/55/60/50/637556050.db2.gz VHLKPDACYMIJBH-OLZOCXBDSA-N 0 0 302.374 2.214 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)c1cnc(-c2ccncc2)s1 ZINC000741746697 638008299 /nfs/dbraw/zinc/00/82/99/638008299.db2.gz WNRLLWWHANQXQI-JTQLQIEISA-N 0 0 317.370 2.053 10 30 DEEERN C=CCOCC(=O)N1CCC(O)(c2cccc(C)c2C)CC1 ZINC000742103793 638036016 /nfs/dbraw/zinc/03/60/16/638036016.db2.gz REKOYOKKHDNIMU-UHFFFAOYSA-N 0 0 303.402 2.316 10 30 DEEERN COc1ccc(CN[C@@H](C(=O)N(C)C)c2ccccc2)cc1C#N ZINC000742368461 638064873 /nfs/dbraw/zinc/06/48/73/638064873.db2.gz BMRWLCJIIZMKQB-GOSISDBHSA-N 0 0 323.396 2.486 10 30 DEEERN Cc1cccc(CN(C)c2ccc(S(N)(=O)=O)cc2C#N)c1 ZINC000742395512 638067348 /nfs/dbraw/zinc/06/73/48/638067348.db2.gz WFQJIFUYWQLHDA-UHFFFAOYSA-N 0 0 315.398 2.151 10 30 DEEERN C=CCOCCCC(=O)OCc1cnn(-c2ccccc2)n1 ZINC000744056590 638187641 /nfs/dbraw/zinc/18/76/41/638187641.db2.gz SFUCIRIKQSKBPA-UHFFFAOYSA-N 0 0 301.346 2.293 10 30 DEEERN Cc1ccc2[nH]c(CN=Cc3c(CO)cnc(C)c3O)nc2c1 ZINC000745977643 638302138 /nfs/dbraw/zinc/30/21/38/638302138.db2.gz ZDWPXEQQUOEJFQ-WSVATBPTSA-N 0 0 310.357 2.392 10 30 DEEERN COc1ccc(CNC(=O)c2cc(Cl)cn2C)cc1C#N ZINC000746876488 638383567 /nfs/dbraw/zinc/38/35/67/638383567.db2.gz GUNMJGGZWKPZDU-UHFFFAOYSA-N 0 0 303.749 2.489 10 30 DEEERN COc1ccc(CNC(=O)[C@H]2COc3ccccc3O2)cc1C#N ZINC000746872421 638384022 /nfs/dbraw/zinc/38/40/22/638384022.db2.gz LVOVKFSVRAVHKZ-QGZVFWFLSA-N 0 0 324.336 2.023 10 30 DEEERN C=C1CCN(S(=O)(=O)c2ccc(/C=C/C(=O)OC)cc2)CC1 ZINC000747269279 638424855 /nfs/dbraw/zinc/42/48/55/638424855.db2.gz MOJHWSBCLFITLI-VMPITWQZSA-N 0 0 321.398 2.214 10 30 DEEERN CC(C)[C@@H](C#N)OC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000747743705 638472719 /nfs/dbraw/zinc/47/27/19/638472719.db2.gz QQZKGVVXBKGEDQ-OAHLLOKOSA-N 0 0 316.357 2.284 10 30 DEEERN CC(=O)N1CCC[C@@H](COC(=O)c2ccc(C#N)cc2C)C1 ZINC000748905487 638601742 /nfs/dbraw/zinc/60/17/42/638601742.db2.gz KCBDIYGSDGUEOK-OAHLLOKOSA-N 0 0 300.358 2.282 10 30 DEEERN N#Cc1cccc(CC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000750434129 638745194 /nfs/dbraw/zinc/74/51/94/638745194.db2.gz NMDVNUNYQVFABV-UHFFFAOYSA-N 0 0 324.292 2.435 10 30 DEEERN C#CC[C@@H](OC(=O)c1nn(CC)c2ccccc2c1=O)C1CC1 ZINC000750777665 639027314 /nfs/dbraw/zinc/02/73/14/639027314.db2.gz GCPSNAPIGXOAGO-OAHLLOKOSA-N 0 0 310.353 2.375 10 30 DEEERN C#CCSCCNC(=O)Nc1cccc(C(=O)OC)c1C ZINC000740436767 639063587 /nfs/dbraw/zinc/06/35/87/639063587.db2.gz FOQJVGVTHTZTDT-UHFFFAOYSA-N 0 0 306.387 2.270 10 30 DEEERN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C=C1CCC(C)(C)CC1 ZINC000751845206 639128010 /nfs/dbraw/zinc/12/80/10/639128010.db2.gz WSRDYRHELVDRMH-LBPRGKRZSA-N 0 0 322.405 2.457 10 30 DEEERN CCOC(=O)[C@H](CC1CC1)NC(=O)/C=C/c1ccccc1C#N ZINC000752383323 639177739 /nfs/dbraw/zinc/17/77/39/639177739.db2.gz LTCAUVQUYDOZNG-SCOAYWHSSA-N 0 0 312.369 2.419 10 30 DEEERN C=C(CNS(=O)(=O)c1cnn(CC2CC2)c1)c1ccccc1 ZINC000805124073 639778449 /nfs/dbraw/zinc/77/84/49/639778449.db2.gz WBNJECBFCFFXAJ-UHFFFAOYSA-N 0 0 317.414 2.285 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)c(C)c1)C(C)(C)C ZINC000805147090 639840358 /nfs/dbraw/zinc/84/03/58/639840358.db2.gz RFOHPSDFFRLPRL-CQSZACIVSA-N 0 0 323.414 2.108 10 30 DEEERN S=C1N=NC(c2ccco2)N1N=Cc1cnn2ccccc12 ZINC000729636091 640817369 /nfs/dbraw/zinc/81/73/69/640817369.db2.gz USUSZJSAFOTCQI-UHFFFAOYSA-N 0 0 310.342 2.357 10 30 DEEERN N#Cc1ccc(CNC(=O)c2ccc(C(N)=S)cc2)c(F)c1 ZINC000729864070 640850105 /nfs/dbraw/zinc/85/01/05/640850105.db2.gz IQUSNJPIQKTTNS-UHFFFAOYSA-N 0 0 313.357 2.262 10 30 DEEERN Cn1cc(C#N)c(NC(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)n1 ZINC000800546653 645287030 /nfs/dbraw/zinc/28/70/30/645287030.db2.gz PVCUGZCCKNXDKA-CYBMUJFWSA-N 0 0 315.764 2.234 10 30 DEEERN C#CCNC(=O)COc1cnc2c(Br)cccc2c1 ZINC000800870219 645315012 /nfs/dbraw/zinc/31/50/12/645315012.db2.gz KPGYNAPISIHZHD-UHFFFAOYSA-N 0 0 319.158 2.126 10 30 DEEERN C=CCCO[C@H](C)C(=O)Oc1ccccc1CS(C)(=O)=O ZINC000803080513 645602934 /nfs/dbraw/zinc/60/29/34/645602934.db2.gz ASEQEBJNOSCWOG-GFCCVEGCSA-N 0 0 312.387 2.118 10 30 DEEERN C#CCC1(C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)CCCCC1 ZINC000803568736 645672358 /nfs/dbraw/zinc/67/23/58/645672358.db2.gz AALKBGIYLBOPAS-HUUCEWRRSA-N 0 0 309.450 2.234 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1OC ZINC000803698554 645681712 /nfs/dbraw/zinc/68/17/12/645681712.db2.gz BLLUKNCLMSWMOX-ZDUSSCGKSA-N 0 0 313.353 2.228 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)Nc1cc(F)ccc1F ZINC000803698990 645681799 /nfs/dbraw/zinc/68/17/99/645681799.db2.gz LOYBTAPHYLCNNB-UHFFFAOYSA-N 0 0 305.280 2.109 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C(=O)NCc1ccco1)C(C)C ZINC000803700556 645682678 /nfs/dbraw/zinc/68/26/78/645682678.db2.gz VGPOYYUJVOWCOS-INIZCTEOSA-N 0 0 315.369 2.126 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N(c2ccc(CC)c(CC)c2)C1=O ZINC000804206793 645741547 /nfs/dbraw/zinc/74/15/47/645741547.db2.gz QEPGDMGCEILFCA-HNNXBMFYSA-N 0 0 302.374 2.439 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cn(C)c(C)cc1=O ZINC000804453117 645772957 /nfs/dbraw/zinc/77/29/57/645772957.db2.gz BTRVMIQSJSOJKU-MRXNPFEDSA-N 0 0 308.381 2.058 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C1CN(CC(F)(F)F)C1 ZINC000804454367 645774280 /nfs/dbraw/zinc/77/42/80/645774280.db2.gz OKQQYSDTFCIBTF-HNNXBMFYSA-N 0 0 324.346 2.231 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC12OCCO2 ZINC000804459937 645775052 /nfs/dbraw/zinc/77/50/52/645775052.db2.gz RVVKXYKCDAKVLR-IRXDYDNUSA-N 0 0 313.397 2.280 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(C)cn(C)c1=O ZINC000806356026 645821778 /nfs/dbraw/zinc/82/17/78/645821778.db2.gz GTDPODVRMBMJAN-MRXNPFEDSA-N 0 0 323.396 2.450 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(OC)ncn1 ZINC000806367304 645822512 /nfs/dbraw/zinc/82/25/12/645822512.db2.gz MXYQYZHHQISDET-AWEZNQCLSA-N 0 0 310.357 2.241 10 30 DEEERN C#CCC(CC#C)C(=O)NCCNc1nc2ccccc2s1 ZINC000806434823 645831408 /nfs/dbraw/zinc/83/14/08/645831408.db2.gz VXNMMMLIRXOJQU-UHFFFAOYSA-N 0 0 311.410 2.487 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1nc(CCCC(=O)OC)cs1 ZINC000807045596 645904535 /nfs/dbraw/zinc/90/45/35/645904535.db2.gz XRCJCYPNGWMYBG-UHFFFAOYSA-N 0 0 318.398 2.240 10 30 DEEERN CC#CCCNC(=O)N1CCCC[C@H]1COC(=O)N(CC)CC ZINC000807137755 645914961 /nfs/dbraw/zinc/91/49/61/645914961.db2.gz YYQMUFWRYWPQGP-HNNXBMFYSA-N 0 0 323.437 2.442 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C)n1 ZINC000807335183 645940118 /nfs/dbraw/zinc/94/01/18/645940118.db2.gz DWVNHBLIZHZRNQ-INIZCTEOSA-N 0 0 321.380 2.079 10 30 DEEERN C=CCCN(OCc1ccccc1)C(=O)NCc1cnn(C)n1 ZINC000807568386 645963933 /nfs/dbraw/zinc/96/39/33/645963933.db2.gz UEZPKLNZYONYOQ-UHFFFAOYSA-N 0 0 315.377 2.035 10 30 DEEERN CCOc1ccccc1CCC(=O)[C@H](C#N)C(=O)NC1CC1 ZINC000129436331 646119019 /nfs/dbraw/zinc/11/90/19/646119019.db2.gz IHVVSZVJXZERJL-AWEZNQCLSA-N 0 0 300.358 2.005 10 30 DEEERN C=C(Br)CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000164817651 646466937 /nfs/dbraw/zinc/46/69/37/646466937.db2.gz HUJGVWAHMMKXJZ-WCQYABFASA-N 0 0 317.227 2.232 10 30 DEEERN C=C(CSc1nc2ccsc2c(=O)n1C)C(=O)OCC ZINC000172294357 646728452 /nfs/dbraw/zinc/72/84/52/646728452.db2.gz JCARHMDKWJWUTN-UHFFFAOYSA-N 0 0 310.400 2.206 10 30 DEEERN C#C[C@@H](C)OC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000174442320 646810732 /nfs/dbraw/zinc/81/07/32/646810732.db2.gz SNNCJYRFTBYCQG-OAHLLOKOSA-N 0 0 313.397 2.423 10 30 DEEERN C#CCN(CC#C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000174527259 646813128 /nfs/dbraw/zinc/81/31/28/646813128.db2.gz CWQGFBMNWYGHAV-ZDUSSCGKSA-N 0 0 312.196 2.302 10 30 DEEERN C#C[C@@H](OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C1CC1 ZINC000152442911 647165557 /nfs/dbraw/zinc/16/55/57/647165557.db2.gz WXMVJDVFKDMIML-GFCCVEGCSA-N 0 0 314.309 2.252 10 30 DEEERN CNC(=O)c1ccc(COC(=O)c2sccc2C#N)cc1 ZINC000731375095 647470225 /nfs/dbraw/zinc/47/02/25/647470225.db2.gz MBVNDYGOUWQIEU-UHFFFAOYSA-N 0 0 300.339 2.336 10 30 DEEERN Cc1cccc([C@@H](O)CNC(=O)[C@H](C)Oc2ccccc2C#N)c1 ZINC000153543006 647504399 /nfs/dbraw/zinc/50/43/99/647504399.db2.gz FCJYTAWEUZSXGN-YOEHRIQHSA-N 0 0 324.380 2.484 10 30 DEEERN N#C[C@@H]1CN(C(=S)Nc2ccc(Cl)nc2)CCN1C1CC1 ZINC000732626316 647632944 /nfs/dbraw/zinc/63/29/44/647632944.db2.gz WYJLTSHTZPPLHE-GFCCVEGCSA-N 0 0 321.837 2.104 10 30 DEEERN CC(C)(C)[C@H](C#N)OC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000154341681 647985627 /nfs/dbraw/zinc/98/56/27/647985627.db2.gz MCLXDHBIDTXDCB-JTQLQIEISA-N 0 0 301.389 2.247 10 30 DEEERN CC[NH+]1CCN(c2ccc(C(=O)O[C@H](C#N)C3CC3)cc2)CC1 ZINC000180065670 648456953 /nfs/dbraw/zinc/45/69/53/648456953.db2.gz ZVFCYFZZXUWXOJ-QGZVFWFLSA-N 0 0 313.401 2.287 10 30 DEEERN C=CCc1ccccc1OC(=O)CSc1nnnn1C1CC1 ZINC000069837217 648778516 /nfs/dbraw/zinc/77/85/16/648778516.db2.gz OILRRKHPICFLMX-UHFFFAOYSA-N 0 0 316.386 2.434 10 30 DEEERN C#CCN(CC#C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000181936337 648793682 /nfs/dbraw/zinc/79/36/82/648793682.db2.gz JWQBNRYNGJIRFE-ZDUSSCGKSA-N 0 0 311.303 2.014 10 30 DEEERN Cc1ccc(C(=O)OCC2(C#N)CCOCC2)cc1[N+](=O)[O-] ZINC000183960381 649211044 /nfs/dbraw/zinc/21/10/44/649211044.db2.gz JDHOTAVAKBKEMN-UHFFFAOYSA-N 0 0 304.302 2.380 10 30 DEEERN CC(C)(CC#N)COC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000184752139 649364849 /nfs/dbraw/zinc/36/48/49/649364849.db2.gz VBEARXZJRWXZFY-UHFFFAOYSA-N 0 0 301.389 2.248 10 30 DEEERN C#CCN1CCN(C(=O)c2ccccc2N2CCCCC2)CC1 ZINC000733260439 649464655 /nfs/dbraw/zinc/46/46/55/649464655.db2.gz FTFGUFAOKXJKOQ-UHFFFAOYSA-N 0 0 311.429 2.068 10 30 DEEERN C#CCN(CC#C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000072906933 649537715 /nfs/dbraw/zinc/53/77/15/649537715.db2.gz RMMLDHKFIBSPAA-AWEZNQCLSA-N 0 0 302.805 2.428 10 30 DEEERN C#CCCNC(=O)NCc1cccc(NC(=O)c2ccccn2)c1 ZINC000733340143 649549984 /nfs/dbraw/zinc/54/99/84/649549984.db2.gz HUDMKEYSJRPSKO-UHFFFAOYSA-N 0 0 322.368 2.156 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)OCCCCC#N)cc2C1=O ZINC000026483764 683871052 /nfs/dbraw/zinc/87/10/52/683871052.db2.gz QMXUBFSNEJPOHK-UHFFFAOYSA-N 0 0 312.325 2.319 10 30 DEEERN COc1cccc(/C=N/[C@H]2CCCN(c3ncccn3)C2)c1O ZINC000044012277 683901480 /nfs/dbraw/zinc/90/14/80/683901480.db2.gz GHAWYADQLKBEHF-HXJASHHUSA-N 0 0 312.373 2.279 10 30 DEEERN C=CCC[C@@H](C)OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000089317913 684022123 /nfs/dbraw/zinc/02/21/23/684022123.db2.gz NXQNTGRJFOBVSP-CYBMUJFWSA-N 0 0 322.405 2.481 10 30 DEEERN C#CCCCOC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000116593917 684065633 /nfs/dbraw/zinc/06/56/33/684065633.db2.gz PGMUVBDLDNKBJR-RDJZCZTQSA-N 0 0 315.369 2.171 10 30 DEEERN CC(C)[C@@H](C#N)OC(=O)CCc1nc(-c2ccncc2)no1 ZINC000122363365 684114543 /nfs/dbraw/zinc/11/45/43/684114543.db2.gz FVOMSMQEUIXNPW-GFCCVEGCSA-N 0 0 300.318 2.156 10 30 DEEERN C#CCSCCNC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000130233680 684186752 /nfs/dbraw/zinc/18/67/52/684186752.db2.gz GBAUNUUNFCYIMI-DOMZBBRYSA-N 0 0 316.426 2.377 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)OCc1cccc(OCC(N)=O)c1 ZINC000159059242 684308598 /nfs/dbraw/zinc/30/85/98/684308598.db2.gz GBFVDTJVQKHFFA-UHFFFAOYSA-N 0 0 324.336 2.088 10 30 DEEERN CC[C@H](CC#N)OC(=O)CN(CCc1ccccc1)C(C)=O ZINC000188062071 684348070 /nfs/dbraw/zinc/34/80/70/684348070.db2.gz GJSMUHPWFFLZJI-MRXNPFEDSA-N 0 0 302.374 2.313 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCCCCC#N)C1 ZINC000189119638 684372988 /nfs/dbraw/zinc/37/29/88/684372988.db2.gz PJNXQOFQOQCRKD-CYBMUJFWSA-N 0 0 309.410 2.444 10 30 DEEERN CN1C(=O)CC[C@H](C(=O)N[C@H](C#N)C2CC2)[C@H]1c1ccccc1 ZINC000245505017 685112675 /nfs/dbraw/zinc/11/26/75/685112675.db2.gz LJELURZLVPOPFS-ZMSDIMECSA-N 0 0 311.385 2.014 10 30 DEEERN C=C[C@H](CC)OC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 ZINC000245827877 685119150 /nfs/dbraw/zinc/11/91/50/685119150.db2.gz BEKLZRKVZIHRRQ-NRWUCQMLSA-N 0 0 312.435 2.220 10 30 DEEERN CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000247688412 685152822 /nfs/dbraw/zinc/15/28/22/685152822.db2.gz SJNOIULGGCHXHH-KFWWJZLASA-N 0 0 308.422 2.453 10 30 DEEERN N#CC1CCC(CNC(=O)c2cc3c(cc2O)OCO3)CC1 ZINC000442985650 782419410 /nfs/dbraw/zinc/41/94/10/782419410.db2.gz XJBUUCLCJBFRQN-UHFFFAOYSA-N 0 0 302.330 2.181 10 30 DEEERN COc1cccc(C#CCOC(=O)CCCC(=O)NC(C)C)c1 ZINC000176602722 782751616 /nfs/dbraw/zinc/75/16/16/782751616.db2.gz QSSHPJXVYNSOSM-UHFFFAOYSA-N 0 0 317.385 2.285 10 30 DEEERN C=C[C@@H](C)OC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000588539791 777372907 /nfs/dbraw/zinc/37/29/07/777372907.db2.gz CWQPWBTUTMNKGC-JMEBYUIHSA-N 0 0 301.346 2.436 10 30 DEEERN COc1ccc(CNC(=O)CCOCC(F)(F)F)cc1C#N ZINC000746925957 786547769 /nfs/dbraw/zinc/54/77/69/786547769.db2.gz JGTGWZFXPPJATA-UHFFFAOYSA-N 0 0 316.279 2.152 10 30 DEEERN CO[C@@H]1CC[C@@H]1N(C)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000724120642 787350555 /nfs/dbraw/zinc/35/05/55/787350555.db2.gz NCKRGYBYGLQRCM-NWDGAFQWSA-N 0 0 314.794 2.010 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)C(F)F ZINC000800146097 799321846 /nfs/dbraw/zinc/32/18/46/799321846.db2.gz VWLCGYOEDOERTJ-CYBMUJFWSA-N 0 0 311.284 2.339 10 30 DEEERN C=CCC1(O)CCN(Cc2cn(C)nc2Br)CC1 ZINC000717452274 799410731 /nfs/dbraw/zinc/41/07/31/799410731.db2.gz VBYOFCAODKYDGO-UHFFFAOYSA-N 0 0 314.227 2.086 10 30 DEEERN C=CCOCCCNC(=O)c1cc(Br)cnc1F ZINC000700920935 1086343793 /nfs/dbraw/zinc/34/37/93/1086343793.db2.gz UKFMVGAZJLVMPT-UHFFFAOYSA-N 0 0 317.158 2.306 10 30 DEEERN C#CCN(CC#C)C(=O)c1nc(CCC)n(-c2ccccc2F)n1 ZINC000075392139 1080239723 /nfs/dbraw/zinc/23/97/23/1080239723.db2.gz ACGNJDHWWCDNFZ-UHFFFAOYSA-N 0 0 324.359 2.068 10 30 DEEERN C#CC1(O)CCN(C(=O)c2csc(C(F)(F)F)c2)CC1 ZINC000718844462 1088670842 /nfs/dbraw/zinc/67/08/42/1088670842.db2.gz USQJORSEHCNKTO-UHFFFAOYSA-N 0 0 303.305 2.367 10 30 DEEERN C#CC[C@H](COC)NCc1nc(C)c(Br)s1 ZINC000719275579 1088919866 /nfs/dbraw/zinc/91/98/66/1088919866.db2.gz WBUKHRCIHBYNEO-SECBINFHSA-N 0 0 303.225 2.342 10 30 DEEERN CSCCCCNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000719974137 1089424018 /nfs/dbraw/zinc/42/40/18/1089424018.db2.gz RWHWYQQXYCMZLT-UHFFFAOYSA-N 0 0 302.396 2.119 10 30 DEEERN CSC(C)(C)CNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000719972583 1089424454 /nfs/dbraw/zinc/42/44/54/1089424454.db2.gz MFVUIWHAKSBUTE-UHFFFAOYSA-N 0 0 302.396 2.117 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCCC2(CC2)CC1 ZINC000624831224 365564538 /nfs/dbraw/zinc/56/45/38/365564538.db2.gz LOJSXTUAVFTANR-CQSZACIVSA-N 0 0 318.421 2.323 10 30 DEEERN C=CCCCN(C)c1nnc(-c2cc[nH]n2)n1C[C@H]1CCOC1 ZINC000612157993 361759504 /nfs/dbraw/zinc/75/95/04/361759504.db2.gz NAJGFXZGPREASI-CYBMUJFWSA-N 0 0 316.409 2.107 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(OCCF)c1 ZINC000612372816 361807915 /nfs/dbraw/zinc/80/79/15/361807915.db2.gz RJRKSTOLQMNDPD-OAHLLOKOSA-N 0 0 308.353 2.444 10 30 DEEERN Cc1nc(-c2cccc(C#N)c2)nn1C[C@H](O)COCC(C)C ZINC000152511172 282146944 /nfs/dbraw/zinc/14/69/44/282146944.db2.gz WRPITUTUTFGLNG-INIZCTEOSA-N 0 0 314.389 2.159 10 30 DEEERN COc1ccc(C#CCO)cc1NC(=O)[C@]1(C)CCCS1 ZINC000164886009 197666086 /nfs/dbraw/zinc/66/60/86/197666086.db2.gz UPJFYTDLNMGXDF-INIZCTEOSA-N 0 0 305.399 2.263 10 30 DEEERN CC(=O)[C@@H](NC(=O)COc1cccc(Cl)c1C#N)C(C)C ZINC000079085231 185155572 /nfs/dbraw/zinc/15/55/72/185155572.db2.gz NABSBXMCGPHPIO-HNNXBMFYSA-N 0 0 308.765 2.320 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC=C(C(F)(F)F)CC1 ZINC000613018331 361982164 /nfs/dbraw/zinc/98/21/64/361982164.db2.gz NBKGKSZCKXNVDE-LBPRGKRZSA-N 0 0 304.312 2.178 10 30 DEEERN N#Cc1ccc(NS(=O)(=O)N2CCOc3ccccc32)cc1 ZINC000082339827 185176605 /nfs/dbraw/zinc/17/66/05/185176605.db2.gz PTTOHZNYSOICTL-UHFFFAOYSA-N 0 0 315.354 2.114 10 30 DEEERN Cc1ccc(S(=O)(=O)[N-]c2ccc(C#CC[NH3+])c(F)c2)s1 ZINC000088083313 185239261 /nfs/dbraw/zinc/23/92/61/185239261.db2.gz XFPYVOUWFFMJOH-UHFFFAOYSA-N 0 0 324.402 2.307 10 30 DEEERN CC[C@@H](C)C[C@@H](C)NS(=O)(=O)c1ccccc1C#CCO ZINC000088310840 185245277 /nfs/dbraw/zinc/24/52/77/185245277.db2.gz OJUNQRYTLMZKTH-ZIAGYGMSSA-N 0 0 309.431 2.133 10 30 DEEERN CC[C@H](C#N)S(=O)(=O)NCc1ccc(Br)s1 ZINC000088474324 185252211 /nfs/dbraw/zinc/25/22/11/185252211.db2.gz XEJLGJGTYPCVSX-MRVPVSSYSA-N 0 0 323.237 2.232 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCc2cc(F)ccc2C1 ZINC000613192901 362033138 /nfs/dbraw/zinc/03/31/38/362033138.db2.gz JVQAQVVCMUGECE-INIZCTEOSA-N 0 0 304.365 2.181 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cn(CCCC)nc1C ZINC000613244517 362055029 /nfs/dbraw/zinc/05/50/29/362055029.db2.gz ZQSOXJOWZSNQAR-INIZCTEOSA-N 0 0 320.437 2.079 10 30 DEEERN COC[C@H](C)/N=C1\NN=C(c2ccc(NC(C)=O)cc2)CS1 ZINC000006840501 190624158 /nfs/dbraw/zinc/62/41/58/190624158.db2.gz AMGDLCZLNMBXEA-JTQLQIEISA-N 0 0 320.418 2.076 10 30 DEEERN CCc1nn(C)c2c1nc(N)n2-c1cc(Cl)ccc1C#N ZINC000092578569 185327039 /nfs/dbraw/zinc/32/70/39/185327039.db2.gz HQBSFLPEQFDKFS-UHFFFAOYSA-N 0 0 300.753 2.429 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000613668935 362175895 /nfs/dbraw/zinc/17/58/95/362175895.db2.gz DSYZNIJJARHFNK-IAQYHMDHSA-N 0 0 304.394 2.264 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000613892005 362241881 /nfs/dbraw/zinc/24/18/81/362241881.db2.gz FMSANIRGPOTDCC-HZPDHXFCSA-N 0 0 316.401 2.406 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2C)OCO3)C1 ZINC000625356039 365745301 /nfs/dbraw/zinc/74/53/01/365745301.db2.gz YXTFOFISXRPLIQ-GFCCVEGCSA-N 0 0 309.387 2.310 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1ccc(F)c(F)c1 ZINC000613852645 362232210 /nfs/dbraw/zinc/23/22/10/362232210.db2.gz JJCJSJXTONXMAL-HNNXBMFYSA-N 0 0 310.344 2.094 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@@H]1c1cccn1C ZINC000625367637 365750376 /nfs/dbraw/zinc/75/03/76/365750376.db2.gz KRVFYVQCTIPHBD-OAHLLOKOSA-N 0 0 317.433 2.407 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCOc2ccccc2C1 ZINC000625428472 365779375 /nfs/dbraw/zinc/77/93/75/365779375.db2.gz QVIZXJNSHFNKIW-UHFFFAOYSA-N 0 0 316.401 2.126 10 30 DEEERN CN(CC#Cc1ccccc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000192110353 529822765 /nfs/dbraw/zinc/82/27/65/529822765.db2.gz CGXVAFIOKSMMPV-IRXDYDNUSA-N 0 0 305.443 2.326 10 30 DEEERN N#Cc1cnccc1N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000614116133 362291836 /nfs/dbraw/zinc/29/18/36/362291836.db2.gz TYVYRJDIYFRNPF-GOSISDBHSA-N 0 0 321.359 2.479 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc2cc(F)ccc2[nH]1 ZINC000614134327 362295067 /nfs/dbraw/zinc/29/50/67/362295067.db2.gz SGYFSEPOMGFWPE-CYBMUJFWSA-N 0 0 304.325 2.111 10 30 DEEERN C=CC[C@@H]1N(C(=O)CN2CCN(C3CC3)C2=O)CCCC1(C)C ZINC000614054133 362273007 /nfs/dbraw/zinc/27/30/07/362273007.db2.gz BVFDPWHTMDYTOI-HNNXBMFYSA-N 0 0 319.449 2.480 10 30 DEEERN C=CCCCNC(=O)CN1CC[C@@H](c2ccccc2)NC1=O ZINC000614208974 362316430 /nfs/dbraw/zinc/31/64/30/362316430.db2.gz BLHAMFKHTHUVNR-HNNXBMFYSA-N 0 0 301.390 2.225 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ncnc2sccc21 ZINC000614371860 362364320 /nfs/dbraw/zinc/36/43/20/362364320.db2.gz BGGUQANYXHVHLC-GXFFZTMASA-N 0 0 303.387 2.402 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)C2CCC(C3CC3)CC2)C1=O ZINC000614394521 362369524 /nfs/dbraw/zinc/36/95/24/362369524.db2.gz RQWLAARBJUVMMO-GPANFISMSA-N 0 0 304.434 2.448 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCCN(Cc2ncon2)C1 ZINC000614664031 362431319 /nfs/dbraw/zinc/43/13/19/362431319.db2.gz BGLVFWJVILDCNR-KGLIPLIRSA-N 0 0 306.410 2.000 10 30 DEEERN C=CCCn1cc(C(=O)NCc2oc(C(C)C)nc2C)nn1 ZINC000615156335 362547756 /nfs/dbraw/zinc/54/77/56/362547756.db2.gz PYJCOGVRMPSZIP-UHFFFAOYSA-N 0 0 303.366 2.204 10 30 DEEERN CC(C)[C@H](CNC(=O)N1CCC(C)(C#N)CC1)c1ccnn1C ZINC000615960980 362739925 /nfs/dbraw/zinc/73/99/25/362739925.db2.gz QOKUMPBYXBOMIP-AWEZNQCLSA-N 0 0 317.437 2.495 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1Cc2ccc(C(C)=O)cc2C1 ZINC000616266131 362811145 /nfs/dbraw/zinc/81/11/45/362811145.db2.gz OIHQFTVHMSOAML-KRWDZBQOSA-N 0 0 314.385 2.202 10 30 DEEERN N#Cc1cc(F)ccc1NC(=O)C(=O)NCCC1=CCCC1 ZINC000123702765 185834267 /nfs/dbraw/zinc/83/42/67/185834267.db2.gz YMMMPKWVFKHMHS-UHFFFAOYSA-N 0 0 301.321 2.252 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](n1cccn1)C(F)(F)F ZINC000616409416 362849324 /nfs/dbraw/zinc/84/93/24/362849324.db2.gz OYPHLPCPTSPYHX-SDDRHHMPSA-N 0 0 317.311 2.084 10 30 DEEERN N#Cc1cnc(N[C@H]2CCN(c3cccc(Cl)c3)C2=O)cn1 ZINC000126511751 185869867 /nfs/dbraw/zinc/86/98/67/185869867.db2.gz NSSDJUSRCZSSNX-ZDUSSCGKSA-N 0 0 313.748 2.219 10 30 DEEERN C=CCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000071530689 190988080 /nfs/dbraw/zinc/98/80/80/190988080.db2.gz XBKSWLUNPAOJNI-SECBINFHSA-N 0 0 317.794 2.276 10 30 DEEERN CN(C)c1ccc2c(c1)[C@H](C#N)N(CCc1nccs1)C2=O ZINC000071679166 191005958 /nfs/dbraw/zinc/00/59/58/191005958.db2.gz RKSJKGGQWFNJJA-AWEZNQCLSA-N 0 0 312.398 2.472 10 30 DEEERN Cc1nn(C)c(C)c1CN1C(=O)c2ccc(N(C)C)cc2[C@H]1C#N ZINC000071679186 191006211 /nfs/dbraw/zinc/00/62/11/191006211.db2.gz RNYNEHGRNWIMPU-QGZVFWFLSA-N 0 0 323.400 2.324 10 30 DEEERN C=CCC[C@@H](c1ccccc1)N1C(=O)N[C@@H](C(=O)OCC)C1=O ZINC000277299976 213430486 /nfs/dbraw/zinc/43/04/86/213430486.db2.gz VEBYVOUEGZJGKM-UONOGXRCSA-N 0 0 316.357 2.177 10 30 DEEERN Cc1ccc(C(=O)N2CCS[C@@H](C)[C@H]2C)cc1C#CCO ZINC000133649592 186003627 /nfs/dbraw/zinc/00/36/27/186003627.db2.gz ADZLJASDJZITKA-KGLIPLIRSA-N 0 0 303.427 2.305 10 30 DEEERN C[C@H]1SCCN(C(=O)c2ccc(C#CCO)cc2F)[C@@H]1C ZINC000133657518 186003804 /nfs/dbraw/zinc/00/38/04/186003804.db2.gz CAXMRNWPCSJZLL-VXGBXAGGSA-N 0 0 307.390 2.136 10 30 DEEERN C[C@H]1CC[C@H](C)N(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000147441976 186040124 /nfs/dbraw/zinc/04/01/24/186040124.db2.gz ONVRSUOIHOGPNH-KBPBESRZSA-N 0 0 306.431 2.452 10 30 DEEERN CCOC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C#N)cc1C ZINC000163983675 186144828 /nfs/dbraw/zinc/14/48/28/186144828.db2.gz RIXXGFXXRKVCDV-HNNXBMFYSA-N 0 0 300.358 2.425 10 30 DEEERN Cc1nc(C[C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)no1 ZINC000171243677 197904143 /nfs/dbraw/zinc/90/41/43/197904143.db2.gz WKWPODRAHDYFNZ-CQSZACIVSA-N 0 0 310.357 2.345 10 30 DEEERN C=C(C)COCCNC(=O)c1ccc(N)c(Br)c1 ZINC000163876083 186141155 /nfs/dbraw/zinc/14/11/55/186141155.db2.gz MXHXOGPDYRRUKP-UHFFFAOYSA-N 0 0 313.195 2.354 10 30 DEEERN Cc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C#CC[NH3+])s1 ZINC000164269001 186154077 /nfs/dbraw/zinc/15/40/77/186154077.db2.gz VYOAENFMRLUVQJ-UHFFFAOYSA-N 0 0 320.439 2.476 10 30 DEEERN C[C@@H](CC(=O)NCCC(=O)N1CCCCC1)N1CCCCC1=O ZINC000328755417 295813093 /nfs/dbraw/zinc/81/30/93/295813093.db2.gz SVPGCNCRXFTQPY-AWEZNQCLSA-N 0 0 323.437 2.137 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCC(=O)N1CCC(O)CC1 ZINC000617041798 363007887 /nfs/dbraw/zinc/00/78/87/363007887.db2.gz IYOFQEZTBKXZHS-ZBFHGGJFSA-N 0 0 322.449 2.001 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1nnn(C(C)(C)C)n1 ZINC000617043748 363008196 /nfs/dbraw/zinc/00/81/96/363008196.db2.gz DOJRKSKECWTKFD-CHWSQXEVSA-N 0 0 305.426 2.222 10 30 DEEERN N#C[C@@H](NC(=O)c1cc2c(c(Br)c1)OCO2)C1CC1 ZINC000171725509 197974800 /nfs/dbraw/zinc/97/48/00/197974800.db2.gz TYYXDXPFFGDVKP-SNVBAGLBSA-N 0 0 323.146 2.210 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cncc2c1CCCC2 ZINC000617099223 363023514 /nfs/dbraw/zinc/02/35/14/363023514.db2.gz SBHFSEAYDCFWQW-OAHLLOKOSA-N 0 0 301.390 2.370 10 30 DEEERN C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C1CCCC1 ZINC000172246712 198064469 /nfs/dbraw/zinc/06/44/69/198064469.db2.gz LMRZMVMGCIOSPT-SNVBAGLBSA-N 0 0 303.337 2.331 10 30 DEEERN CC(C)[C@H](O)CNC(=O)NCCSCc1ccccc1C#N ZINC000172595598 198121068 /nfs/dbraw/zinc/12/10/68/198121068.db2.gz KHEHCWZBSGZLBQ-OAHLLOKOSA-N 0 0 321.446 2.108 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@H](COC)C2CCOCC2)cc1 ZINC000617374627 363114025 /nfs/dbraw/zinc/11/40/25/363114025.db2.gz CWGBKBDNCOIQMW-QGZVFWFLSA-N 0 0 319.401 2.423 10 30 DEEERN C=CCCC1(CNC(=O)CCSc2nnnn2C)CCCC1 ZINC000617416450 363127532 /nfs/dbraw/zinc/12/75/32/363127532.db2.gz QRWLXUFHXYPRLU-UHFFFAOYSA-N 0 0 323.466 2.335 10 30 DEEERN N#CCN1CCN(Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000072517153 191185880 /nfs/dbraw/zinc/18/58/80/191185880.db2.gz YFSXKZUBABAXNU-UHFFFAOYSA-N 0 0 313.323 2.269 10 30 DEEERN Cc1cc(N2CCC[C@H](Nc3ccc(C#N)cc3)C2=O)n(C)n1 ZINC000172809579 198152136 /nfs/dbraw/zinc/15/21/36/198152136.db2.gz MJYIRNZHJXJINR-HNNXBMFYSA-N 0 0 309.373 2.208 10 30 DEEERN C=CCOCCCC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000173058071 198181576 /nfs/dbraw/zinc/18/15/76/198181576.db2.gz DBPQDSYNRLUPIG-AWEZNQCLSA-N 0 0 307.394 2.142 10 30 DEEERN C=CCN(C(=O)CCc1nc(C(C)(C)C)no1)[C@@H](C)COC ZINC000617577358 363194120 /nfs/dbraw/zinc/19/41/20/363194120.db2.gz NHQBXEMEXALRGV-LBPRGKRZSA-N 0 0 309.410 2.349 10 30 DEEERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)CC12CCC(CC1)CC2 ZINC000330323080 539937827 /nfs/dbraw/zinc/93/78/27/539937827.db2.gz HJQLUIQYZZBOQW-OWYJLGKBSA-N 0 0 314.451 2.337 10 30 DEEERN C=CCN(C(=O)c1cc(-c2ccn(C)c2)n[nH]1)[C@@H](C)COC ZINC000617583334 363197131 /nfs/dbraw/zinc/19/71/31/363197131.db2.gz GUFPIJISTWJGSZ-LBPRGKRZSA-N 0 0 302.378 2.078 10 30 DEEERN N#Cc1cccc(-c2cc(C(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)on2)c1 ZINC000333316313 539955677 /nfs/dbraw/zinc/95/56/77/539955677.db2.gz OMULNBXTPANPGX-DZKIICNBSA-N 0 0 323.352 2.056 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCc2ccc(C)cc2C1 ZINC000617601406 363200377 /nfs/dbraw/zinc/20/03/77/363200377.db2.gz JHSJRPIVNCIIII-KRWDZBQOSA-N 0 0 300.402 2.351 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H]1c1cnn(C)c1 ZINC000173656443 198237569 /nfs/dbraw/zinc/23/75/69/198237569.db2.gz MVAVGQQGRSATRU-GOEBONIOSA-N 0 0 304.438 2.370 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000173792657 198252592 /nfs/dbraw/zinc/25/25/92/198252592.db2.gz ZYNZRTRPQUZPES-VXGBXAGGSA-N 0 0 306.337 2.479 10 30 DEEERN N#Cc1ccc(NC(=O)N[C@H]2CCCn3ncnc32)cc1Cl ZINC000175874071 198519603 /nfs/dbraw/zinc/51/96/03/198519603.db2.gz UQKUFERQRWYBLT-LBPRGKRZSA-N 0 0 316.752 2.460 10 30 DEEERN C=CC[C@H]1CCCN(C(=O)c2cccc(S(N)(=O)=O)c2C)C1 ZINC000617781748 363262978 /nfs/dbraw/zinc/26/29/78/363262978.db2.gz TVIIDELLSFZXLK-ZDUSSCGKSA-N 0 0 322.430 2.071 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC000618057737 363362590 /nfs/dbraw/zinc/36/25/90/363362590.db2.gz BIARBPIBLOFYIW-VUCTXSBTSA-N 0 0 300.402 2.302 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cccc(F)c1OC(F)(F)F ZINC000626448601 366190822 /nfs/dbraw/zinc/19/08/22/366190822.db2.gz FJYWYJWXTCHFKM-QMMMGPOBSA-N 0 0 307.243 2.391 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(-c2cccc(OC)c2)no1 ZINC000626448848 366191136 /nfs/dbraw/zinc/19/11/36/366191136.db2.gz NPMHZUSCMPLMTG-LBPRGKRZSA-N 0 0 302.330 2.017 10 30 DEEERN CC#CCNC(=O)NC[C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000595580492 358491759 /nfs/dbraw/zinc/49/17/59/358491759.db2.gz ZMWQUNHFBOGOPH-HNNXBMFYSA-N 0 0 314.385 2.216 10 30 DEEERN NC(=NO[C@H]1CCN(c2ccccc2)C1=O)c1ccsc1 ZINC000075138228 355071291 /nfs/dbraw/zinc/07/12/91/355071291.db2.gz GWPKCWVDGIUONP-ZDUSSCGKSA-N 0 0 301.371 2.191 10 30 DEEERN CN(C)c1nccc(N2CCCN(c3ccccc3C#N)CC2)n1 ZINC000077189865 355186760 /nfs/dbraw/zinc/18/67/60/355186760.db2.gz KEISMAVSKYRQEN-UHFFFAOYSA-N 0 0 322.416 2.131 10 30 DEEERN CSC(=NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)NC#N ZINC000073736713 191349778 /nfs/dbraw/zinc/34/97/78/191349778.db2.gz CWOZVGKEAAMGDB-LLVKDONJSA-N 0 0 312.439 2.423 10 30 DEEERN C#CCn1c(=O)[nH]c2scc(-c3ccc(F)cc3)c2c1=O ZINC000075319888 191462856 /nfs/dbraw/zinc/46/28/56/191462856.db2.gz XHLDXUTWGYIGIE-UHFFFAOYSA-N 0 0 300.314 2.191 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N(C)Cc1nc([C@@H](C)OC)no1 ZINC000081561999 355438050 /nfs/dbraw/zinc/43/80/50/355438050.db2.gz JYQXROYMZIGCSU-QWHCGFSZSA-N 0 0 324.425 2.022 10 30 DEEERN C[C@@H]1CO[C@H](CO)CN1c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092685140 355646444 /nfs/dbraw/zinc/64/64/44/355646444.db2.gz XOLCAUQSRBUFPN-MFKMUULPSA-N 0 0 317.776 2.346 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)N(CC(F)F)C1CC1 ZINC000077390363 191707057 /nfs/dbraw/zinc/70/70/57/191707057.db2.gz XSBFBEOKLJMINE-UHFFFAOYSA-N 0 0 300.330 2.285 10 30 DEEERN CCC[C@@H](CCCOS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC000143595674 355899140 /nfs/dbraw/zinc/89/91/40/355899140.db2.gz BWKRVVCVJRWFRD-NSHDSACASA-N 0 0 309.428 2.436 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1nnc(C)o1 ZINC000170829907 355994661 /nfs/dbraw/zinc/99/46/61/355994661.db2.gz ADSQITMCESVFLO-UHFFFAOYSA-N 0 0 316.317 2.044 10 30 DEEERN Cc1ccc(CNCCS(=O)(=O)c2cccc(C#N)c2)o1 ZINC000163086648 355971917 /nfs/dbraw/zinc/97/19/17/355971917.db2.gz UUSYVRXCTYUYGB-UHFFFAOYSA-N 0 0 304.371 2.023 10 30 DEEERN C=CCCOCCNC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000179332587 356021116 /nfs/dbraw/zinc/02/11/16/356021116.db2.gz RJTITKBRIVIDKT-GFCCVEGCSA-N 0 0 306.362 2.368 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000182252509 356117234 /nfs/dbraw/zinc/11/72/34/356117234.db2.gz JTWBRPXLRGKLSL-SNVBAGLBSA-N 0 0 302.300 2.457 10 30 DEEERN CCCN(CC(=O)OCC)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000080144910 192005068 /nfs/dbraw/zinc/00/50/68/192005068.db2.gz MCBIVGNKJRPQTH-CYBMUJFWSA-N 0 0 318.373 2.127 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccccc1CN(CC)C(C)=O ZINC000183712288 356179225 /nfs/dbraw/zinc/17/92/25/356179225.db2.gz JDSRZIUEMAFKQU-HNNXBMFYSA-N 0 0 319.405 2.114 10 30 DEEERN CN(Cc1cccc(C#N)c1)C(=O)c1ccc2nnn(C)c2c1 ZINC000182572186 356131482 /nfs/dbraw/zinc/13/14/82/356131482.db2.gz QMRCAJGVBNNWEV-UHFFFAOYSA-N 0 0 305.341 2.112 10 30 DEEERN CCCOc1ccc(Br)cc1C=NNC(N)=S ZINC000252447645 356334092 /nfs/dbraw/zinc/33/40/92/356334092.db2.gz NFKFOBOIAZRHMX-UHFFFAOYSA-N 0 0 316.224 2.405 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)c2cc(C#N)cn2C)cc1 ZINC000081034529 192217927 /nfs/dbraw/zinc/21/79/27/192217927.db2.gz ZLSYPHZRMOMKQF-UHFFFAOYSA-N 0 0 308.341 2.065 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000081011801 192212545 /nfs/dbraw/zinc/21/25/45/192212545.db2.gz RUPQYHUUUADPRV-ZIAGYGMSSA-N 0 0 319.430 2.023 10 30 DEEERN Cc1ncc(S(=O)(=O)N[C@@H](C)c2ccsc2)cc1C#N ZINC000313141835 356413150 /nfs/dbraw/zinc/41/31/50/356413150.db2.gz RBHKOOROMNVEOD-JTQLQIEISA-N 0 0 307.400 2.363 10 30 DEEERN Cc1nc2c(s1)CCC[C@H]2CNC(=O)NCc1cnn(C)c1 ZINC000328630406 356464229 /nfs/dbraw/zinc/46/42/29/356464229.db2.gz PUGFQFGNIFPVMM-LBPRGKRZSA-N 0 0 319.434 2.309 10 30 DEEERN C[C@H]1CN(C(=O)c2cc(C#N)cn2C)C[C@H](c2ccccc2)O1 ZINC000081714251 192316723 /nfs/dbraw/zinc/31/67/23/192316723.db2.gz HBHOBIIQJYBJKN-SUMWQHHRSA-N 0 0 309.369 2.499 10 30 DEEERN C=CCOCCCNC(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000618515343 363512776 /nfs/dbraw/zinc/51/27/76/363512776.db2.gz UQHDKPLGMBKHIR-OAHLLOKOSA-N 0 0 316.401 2.287 10 30 DEEERN C=CCOCCCNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000618523955 363515531 /nfs/dbraw/zinc/51/55/31/363515531.db2.gz XKFSYDBHCUQKTB-UHFFFAOYSA-N 0 0 320.364 2.275 10 30 DEEERN C=CCOCCCNC(=O)c1[nH]nc(CC)c1Br ZINC000618524310 363515883 /nfs/dbraw/zinc/51/58/83/363515883.db2.gz ANYQQMVZPNRWQL-UHFFFAOYSA-N 0 0 316.199 2.057 10 30 DEEERN C[C@@H](Cc1cccs1)NS(=O)(=O)c1ccc(C#N)cc1N ZINC000085918049 192539535 /nfs/dbraw/zinc/53/95/35/192539535.db2.gz IAPGYADTNOIAIP-JTQLQIEISA-N 0 0 321.427 2.111 10 30 DEEERN C=CCC1(c2nc(C3(OC)CCOCC3)no2)CCOCC1 ZINC000351292017 356648462 /nfs/dbraw/zinc/64/84/62/356648462.db2.gz MFYQZUHBLSAJHI-UHFFFAOYSA-N 0 0 308.378 2.346 10 30 DEEERN C=CCOCCNC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 ZINC000365013081 356666042 /nfs/dbraw/zinc/66/60/42/356666042.db2.gz BGNXDSSMFHKMAK-GOSISDBHSA-N 0 0 316.401 2.000 10 30 DEEERN Cc1ncc(S(=O)(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)cc1C#N ZINC000387339051 356702736 /nfs/dbraw/zinc/70/27/36/356702736.db2.gz UYCNYJWDNJEWBN-FIXISWKDSA-N 0 0 307.419 2.365 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N[C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000578328559 356799650 /nfs/dbraw/zinc/79/96/50/356799650.db2.gz DPIGZVVHQOEZRW-ZBFHGGJFSA-N 0 0 305.422 2.342 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c(F)ccc(OC)c1OC ZINC000578641298 356850010 /nfs/dbraw/zinc/85/00/10/356850010.db2.gz VPWKNOVUZCJXKQ-JQWIXIFHSA-N 0 0 309.337 2.164 10 30 DEEERN C=CCCOCCNC(=O)N[C@@H](c1ccccc1F)[C@@H](C)O ZINC000578657192 356852423 /nfs/dbraw/zinc/85/24/23/356852423.db2.gz FFGBPAAVIPLFOS-IUODEOHRSA-N 0 0 310.369 2.140 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(-c2csnn2)cc1 ZINC000578987837 356903104 /nfs/dbraw/zinc/90/31/04/356903104.db2.gz GDPIGRFVUKITBF-LBPRGKRZSA-N 0 0 304.375 2.264 10 30 DEEERN N#Cc1cnc(N2CCCN(c3cccnn3)CC2)c(Cl)c1 ZINC000114709477 283231220 /nfs/dbraw/zinc/23/12/20/283231220.db2.gz PXRXNMIKFMPABC-UHFFFAOYSA-N 0 0 314.780 2.113 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1Cc2ccccc2NC(=O)C1)OCC ZINC000579241733 356945497 /nfs/dbraw/zinc/94/54/97/356945497.db2.gz IGSXQIXSQJOBRO-OAHLLOKOSA-N 0 0 302.374 2.339 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000579346365 356960543 /nfs/dbraw/zinc/96/05/43/356960543.db2.gz POGVPZHUSGWBHC-NPJQDHAYSA-N 0 0 320.433 2.224 10 30 DEEERN C=CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000579694270 357015820 /nfs/dbraw/zinc/01/58/20/357015820.db2.gz QLOWPSAIMSDVLS-UHFFFAOYSA-N 0 0 313.313 2.485 10 30 DEEERN C=CCCCCCNC(=O)N1CCSC[C@H](C(=O)OC)C1 ZINC000580723430 357071911 /nfs/dbraw/zinc/07/19/11/357071911.db2.gz ZNQIJIYAFUUHBS-CYBMUJFWSA-N 0 0 314.451 2.280 10 30 DEEERN C=CCOc1ccc(CC(=O)N2C[C@@H]3COC[C@@]3(C)C2)cc1 ZINC000618699345 363576385 /nfs/dbraw/zinc/57/63/85/363576385.db2.gz MGIGIIHTMNDUML-CRAIPNDOSA-N 0 0 301.386 2.289 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)Cc1ccccc1Cl ZINC000581484892 357195428 /nfs/dbraw/zinc/19/54/28/357195428.db2.gz YRGNBZOIRHEPGR-FZMZJTMJSA-N 0 0 315.822 2.351 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)c1ccccn1 ZINC000581604211 357214372 /nfs/dbraw/zinc/21/43/72/357214372.db2.gz SVKSADANUUOJSP-KBPBESRZSA-N 0 0 303.406 2.250 10 30 DEEERN C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000585683688 357346132 /nfs/dbraw/zinc/34/61/32/357346132.db2.gz VIFRNVBYTFODCE-IAQYHMDHSA-N 0 0 317.364 2.008 10 30 DEEERN N#Cc1ccc(CN[C@@H](c2nc[nH]n2)c2cccnc2)c(F)c1 ZINC000585726043 357348306 /nfs/dbraw/zinc/34/83/06/357348306.db2.gz VBFKSZHAIDIBLH-OAHLLOKOSA-N 0 0 308.320 2.090 10 30 DEEERN C[C@]12CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C[C@H]1C2(F)F ZINC000590262972 357528693 /nfs/dbraw/zinc/52/86/93/357528693.db2.gz VGVKJLGIDWEDME-DOMZBBRYSA-N 0 0 319.311 2.000 10 30 DEEERN CCC1(O)CCN(c2ncc(Br)cc2C#N)CC1 ZINC000590690979 357582483 /nfs/dbraw/zinc/58/24/83/357582483.db2.gz LMDOUMUVXMIILR-UHFFFAOYSA-N 0 0 310.195 2.457 10 30 DEEERN C=CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CC#N)CC1 ZINC000591615179 357744382 /nfs/dbraw/zinc/74/43/82/357744382.db2.gz YLWYJNLRIRMRIH-OAHLLOKOSA-N 0 0 315.421 2.488 10 30 DEEERN C=C(C)C[NH+]1CCC(NC(=O)NCC2(C#N)CCCC2)CC1 ZINC000593339136 358058178 /nfs/dbraw/zinc/05/81/78/358058178.db2.gz NYXSDOGMWWCHKY-UHFFFAOYSA-N 0 0 304.438 2.410 10 30 DEEERN C=CCN(CCC#N)C(=O)c1nscc1Br ZINC000593721147 358130535 /nfs/dbraw/zinc/13/05/35/358130535.db2.gz OTWYGKRTKSFMNA-UHFFFAOYSA-N 0 0 300.181 2.447 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000185265796 199832350 /nfs/dbraw/zinc/83/23/50/199832350.db2.gz GWBSKUGUWQJXQB-GFCCVEGCSA-N 0 0 319.405 2.273 10 30 DEEERN C=CCCn1cc(C[S@@](=O)Cc2noc3c2CCCC3)nn1 ZINC000593936316 358174849 /nfs/dbraw/zinc/17/48/49/358174849.db2.gz RMMTVHRFYFEYEL-JOCHJYFZSA-N 0 0 320.418 2.170 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cncc(C(=O)OC(C)(C)C)c1 ZINC000594149229 358214418 /nfs/dbraw/zinc/21/44/18/358214418.db2.gz VUMUXRJYWCWCPY-LBPRGKRZSA-N 0 0 321.377 2.095 10 30 DEEERN C=CCCn1cc(CSCc2ccc(C(N)=O)cc2)nn1 ZINC000594553630 358293489 /nfs/dbraw/zinc/29/34/89/358293489.db2.gz LTCYJPDCCBZXCZ-UHFFFAOYSA-N 0 0 302.403 2.387 10 30 DEEERN C=CCSCCNS(=O)(=O)C[C@@H](C)CC(F)(F)F ZINC000594752178 358333587 /nfs/dbraw/zinc/33/35/87/358333587.db2.gz MEQGHAMGCFDXJZ-VIFPVBQESA-N 0 0 305.387 2.414 10 30 DEEERN CCN(CC)c1ccc(C=NNc2n[nH]c(=S)[nH]2)c(O)c1 ZINC000005927606 181297408 /nfs/dbraw/zinc/29/74/08/181297408.db2.gz CZKMFNNFYWTAOL-RIYZIHGNSA-N 0 0 306.395 2.091 10 30 DEEERN C=CCOCCCNC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000596470152 358693173 /nfs/dbraw/zinc/69/31/73/358693173.db2.gz IYWQFMGNJTZLDR-UHFFFAOYSA-N 0 0 306.362 2.496 10 30 DEEERN C=CCCSCCNC(=O)N1CCOC[C@@H]1CC(F)F ZINC000596716331 358745938 /nfs/dbraw/zinc/74/59/38/358745938.db2.gz SYVZCJQILOVBLI-NSHDSACASA-N 0 0 308.394 2.361 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C(=O)OC)ccc1F ZINC000596696987 358741616 /nfs/dbraw/zinc/74/16/16/358741616.db2.gz ILPDOVVSAPPRED-AWEZNQCLSA-N 0 0 322.336 2.022 10 30 DEEERN C=CCCCN(C)C(=O)Nc1cnn(C(C)(C)C(=O)OC)c1 ZINC000597104884 358824058 /nfs/dbraw/zinc/82/40/58/358824058.db2.gz LUNZSADQWRWISE-UHFFFAOYSA-N 0 0 308.382 2.221 10 30 DEEERN C=CCN(C(=O)c1ccnc(N2CCOCC2)n1)c1ccccc1 ZINC000627376669 366515015 /nfs/dbraw/zinc/51/50/15/366515015.db2.gz KDGZHQOGQARQFW-UHFFFAOYSA-N 0 0 324.384 2.146 10 30 DEEERN C=CCOC[C@@H](NC(=O)C1CCC(C2CC2)CC1)C(=O)OC ZINC000597606632 358961329 /nfs/dbraw/zinc/96/13/29/358961329.db2.gz JSIGYPFUDZDVPX-YMAMQOFZSA-N 0 0 309.406 2.063 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000627470809 366530006 /nfs/dbraw/zinc/53/00/06/366530006.db2.gz ZLRFJHZXFAUHJI-WFASDCNBSA-N 0 0 304.390 2.192 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1(C(=O)OC(C)(C)C)CCC1 ZINC000597792884 359007386 /nfs/dbraw/zinc/00/73/86/359007386.db2.gz DFJHRSZQSWNKDI-STQMWFEESA-N 0 0 309.406 2.206 10 30 DEEERN C=CCCN(C)C(=O)C(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000276461101 212893665 /nfs/dbraw/zinc/89/36/65/212893665.db2.gz QQDYGMVGDVMUOI-UHFFFAOYSA-N 0 0 314.345 2.018 10 30 DEEERN C=CCOCCCNC(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC000598207203 359122789 /nfs/dbraw/zinc/12/27/89/359122789.db2.gz NTGQGDHUDJHGPI-UHFFFAOYSA-N 0 0 308.334 2.316 10 30 DEEERN C=C[C@](C)(O)CC(=O)NC1(c2cccc(C#N)c2)CCOCC1 ZINC000598246750 359137125 /nfs/dbraw/zinc/13/71/25/359137125.db2.gz QLKFXAWNMKKNGG-KRWDZBQOSA-N 0 0 314.385 2.007 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@](C)(CCF)C(=O)OC)cc1 ZINC000598274272 359145250 /nfs/dbraw/zinc/14/52/50/359145250.db2.gz DKICEWRLIWFVPX-MRXNPFEDSA-N 0 0 309.337 2.273 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000185915783 199903455 /nfs/dbraw/zinc/90/34/55/199903455.db2.gz ZGSYWSGMMQIOPI-VIFPVBQESA-N 0 0 321.851 2.277 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)NCC[C@H]1CC1(F)F ZINC000598621641 359264531 /nfs/dbraw/zinc/26/45/31/359264531.db2.gz JKMWSRJCTAZQKE-NSHDSACASA-N 0 0 300.330 2.190 10 30 DEEERN CCc1nn(C)c(CN2CCN(C(C)(C)C#N)CC2)c1Cl ZINC000089319712 192766465 /nfs/dbraw/zinc/76/64/65/192766465.db2.gz XZYMLYYXDSUETP-UHFFFAOYSA-N 0 0 309.845 2.056 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000598802924 359329921 /nfs/dbraw/zinc/32/99/21/359329921.db2.gz JVSOSRQBIDWLHS-CYBMUJFWSA-N 0 0 305.334 2.313 10 30 DEEERN C=CC[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000599526911 359517719 /nfs/dbraw/zinc/51/77/19/359517719.db2.gz WIFTUSOLQNIZFW-GFCCVEGCSA-N 0 0 319.361 2.440 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2nc(CC(=O)OC)cs2)C1 ZINC000599712462 359582581 /nfs/dbraw/zinc/58/25/81/359582581.db2.gz NZBSGHZKZSEGDK-JTQLQIEISA-N 0 0 309.391 2.289 10 30 DEEERN C=CCCn1cc(CN2CCc3c(CC#N)cccc3C2)nn1 ZINC000599678391 359567984 /nfs/dbraw/zinc/56/79/84/359567984.db2.gz PSNPCWHVDHRTMA-UHFFFAOYSA-N 0 0 307.401 2.479 10 30 DEEERN Cc1cc(C(=O)N2CC(C)(C#N)C2)c(C)n1[C@H]1CCCOC1 ZINC000599865199 359614311 /nfs/dbraw/zinc/61/43/11/359614311.db2.gz CDSHMBARLVDEQM-AWEZNQCLSA-N 0 0 301.390 2.442 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000600137324 359659889 /nfs/dbraw/zinc/65/98/89/359659889.db2.gz AZQONPCLMDDUIJ-IGCXYCKISA-N 0 0 309.406 2.300 10 30 DEEERN C[C@H]1CN(Cc2ccc(Cl)cc2C#N)C[C@@H]1N1CCOCC1 ZINC000187140834 200067451 /nfs/dbraw/zinc/06/74/51/200067451.db2.gz KCBVNFXHSPHIQF-GUYCJALGSA-N 0 0 319.836 2.364 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N(C)CC1(CO)CC1 ZINC000188308514 200225487 /nfs/dbraw/zinc/22/54/87/200225487.db2.gz SCKRSIXPNSXIIU-UHFFFAOYSA-N 0 0 306.337 2.074 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cc(F)ccc1OC ZINC000627687083 366591483 /nfs/dbraw/zinc/59/14/83/366591483.db2.gz RUNLFWWQUUCQSL-UHFFFAOYSA-N 0 0 308.353 2.491 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cccc(CC(=O)OCC)c2)C1=O ZINC000600948180 359867810 /nfs/dbraw/zinc/86/78/10/359867810.db2.gz HOIOMLIPUYGBLT-AWEZNQCLSA-N 0 0 316.357 2.183 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000627687851 366592734 /nfs/dbraw/zinc/59/27/34/366592734.db2.gz BNOCOGWUGVSHDA-UHFFFAOYSA-N 0 0 318.373 2.115 10 30 DEEERN C=CCC1(NC(=O)CNC(=O)c2ccc(OC)cc2)CCCC1 ZINC000619105971 363707163 /nfs/dbraw/zinc/70/71/63/363707163.db2.gz KSFAFSAPFWPSEK-UHFFFAOYSA-N 0 0 316.401 2.430 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2nc(C(F)(F)F)co2)C1 ZINC000627733118 366603174 /nfs/dbraw/zinc/60/31/74/366603174.db2.gz LUHUOPOJXSZJNG-QMMMGPOBSA-N 0 0 317.267 2.057 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(N(C)C)c2)C1 ZINC000627733306 366603450 /nfs/dbraw/zinc/60/34/50/366603450.db2.gz QSVXBPTYWGOJLK-GFCCVEGCSA-N 0 0 319.380 2.255 10 30 DEEERN C=CCN(CC=C)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601283128 359993288 /nfs/dbraw/zinc/99/32/88/359993288.db2.gz OXPCKZSAJZFDBJ-UHFFFAOYSA-N 0 0 302.377 2.327 10 30 DEEERN C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000601530897 360064175 /nfs/dbraw/zinc/06/41/75/360064175.db2.gz XJIQJQZIYRXZOK-INIZCTEOSA-N 0 0 323.396 2.132 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1[nH]c(C)c(C(C)=O)c1C)C(=O)OC ZINC000601771566 360140401 /nfs/dbraw/zinc/14/04/01/360140401.db2.gz IPTAYEQLYRJSAI-LBPRGKRZSA-N 0 0 306.362 2.072 10 30 DEEERN C=CC(C)(C)C(=O)N1CC[C@](COC)(C(=O)OC(C)(C)C)C1 ZINC000601774429 360142550 /nfs/dbraw/zinc/14/25/50/360142550.db2.gz KTVBAMKEPPNNFF-KRWDZBQOSA-N 0 0 311.422 2.405 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H](C)Oc1ccccc1F)C(=O)OC ZINC000601777605 360143848 /nfs/dbraw/zinc/14/38/48/360143848.db2.gz HWZPQAZPBVSCRN-WCQYABFASA-N 0 0 309.337 2.217 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1)C(=O)OC ZINC000601783707 360147516 /nfs/dbraw/zinc/14/75/16/360147516.db2.gz YLUNHLQUJDFFKY-GDBMZVCRSA-N 0 0 317.385 2.231 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H]1CCCc2cccnc21)C(=O)OC ZINC000601783940 360147984 /nfs/dbraw/zinc/14/79/84/360147984.db2.gz YOUZXAVOVVBAAI-UONOGXRCSA-N 0 0 302.374 2.126 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1CCOc2ccccc21)C(=O)OC ZINC000601785160 360148454 /nfs/dbraw/zinc/14/84/54/360148454.db2.gz JZFBFEJQTZXHOO-ZIAGYGMSSA-N 0 0 303.358 2.177 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H](OC)c1cccc(OC)c1)C(=O)OC ZINC000601785232 360148617 /nfs/dbraw/zinc/14/86/17/360148617.db2.gz RGMCRDSLDCIZKH-CABCVRRESA-N 0 0 321.373 2.007 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cnc2onc(CC)c2c1)C(=O)OC ZINC000601785271 360148690 /nfs/dbraw/zinc/14/86/90/360148690.db2.gz KYIOVERWULCWIO-ZDUSSCGKSA-N 0 0 317.345 2.023 10 30 DEEERN C=C[C@H](N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)C(=O)OC ZINC000601930983 360196151 /nfs/dbraw/zinc/19/61/51/360196151.db2.gz BSHJTAOIXURABG-IGQOVBAYSA-N 0 0 322.202 2.404 10 30 DEEERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000601806480 360155795 /nfs/dbraw/zinc/15/57/95/360155795.db2.gz FLSUSBOKDGQNFY-UXLLHSPISA-N 0 0 311.385 2.115 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ncccc1CSC)C(=O)OC ZINC000602416959 360363280 /nfs/dbraw/zinc/36/32/80/360363280.db2.gz ZEBLJAFESPZYBA-LBPRGKRZSA-N 0 0 308.403 2.182 10 30 DEEERN C=CCN(CCOC)Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602632530 360468086 /nfs/dbraw/zinc/46/80/86/360468086.db2.gz UVEGAKLUAINKPG-UHFFFAOYSA-N 0 0 309.410 2.010 10 30 DEEERN N#Cc1cccc(CS(=O)(=O)NCC2CCC(C#N)CC2)c1 ZINC000443223937 238109929 /nfs/dbraw/zinc/10/99/29/238109929.db2.gz HTKRLEOUYNLVFW-UHFFFAOYSA-N 0 0 317.414 2.308 10 30 DEEERN CCN(C[C@@H]1CCOC1)C(=O)NCc1ccc(C#N)cc1F ZINC000609253548 361291955 /nfs/dbraw/zinc/29/19/55/361291955.db2.gz AULFBQRFOALHFO-ZDUSSCGKSA-N 0 0 305.353 2.265 10 30 DEEERN CC(C)[C@H](C#N)N1CCN(CCOc2ccc(F)cc2)CC1 ZINC000609484393 361314718 /nfs/dbraw/zinc/31/47/18/361314718.db2.gz BIFBTWVYJXEAJF-KRWDZBQOSA-N 0 0 305.397 2.370 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000609958609 361350316 /nfs/dbraw/zinc/35/03/16/361350316.db2.gz AYKXGWRZHBLNRL-UHFFFAOYSA-N 0 0 318.373 2.145 10 30 DEEERN N#Cc1cccc(Cl)c1NCCCN1CCCS1(=O)=O ZINC000610275480 361376900 /nfs/dbraw/zinc/37/69/00/361376900.db2.gz AZIBANRBXMZHSL-UHFFFAOYSA-N 0 0 313.810 2.049 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2cnn(Cc3ccccn3)c2)c1 ZINC000610520981 361414971 /nfs/dbraw/zinc/41/49/71/361414971.db2.gz WZKDXMRYHAGILB-UHFFFAOYSA-N 0 0 317.352 2.379 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H](C)c1ccncc1 ZINC000610518544 361415117 /nfs/dbraw/zinc/41/51/17/361415117.db2.gz ZUAKYPFDYIKHSJ-CYBMUJFWSA-N 0 0 315.398 2.344 10 30 DEEERN C=CCCO[C@H](C)C(=O)NC[C@@]1(C)COc2ccccc2O1 ZINC000628326793 366813031 /nfs/dbraw/zinc/81/30/31/366813031.db2.gz WGPHJSARHZMCDN-DYVFJYSZSA-N 0 0 305.374 2.314 10 30 DEEERN C=C(C)[C@@H](CC(=O)NC[C@@H](n1cccn1)C(F)(F)F)OCC ZINC000628331519 366814972 /nfs/dbraw/zinc/81/49/72/366814972.db2.gz PBHPDZNOOQJJIO-VXGBXAGGSA-N 0 0 319.327 2.474 10 30 DEEERN C[C@@H]1N(C(=O)NCc2ccc(C#N)cc2F)CCOC1(C)C ZINC000610795342 361469191 /nfs/dbraw/zinc/46/91/91/361469191.db2.gz CWLCENGZVRKMKG-NSHDSACASA-N 0 0 305.353 2.406 10 30 DEEERN Cc1nc2ccnn2c(C)c1C(=O)NCc1ccc(C#N)cc1F ZINC000611168280 361538736 /nfs/dbraw/zinc/53/87/36/361538736.db2.gz FNSIEOQQYVMCMV-UHFFFAOYSA-N 0 0 323.331 2.287 10 30 DEEERN C=CCOc1cccc(C(C)=O)c1OC(=O)N1CCOCC1 ZINC000090750786 192928564 /nfs/dbraw/zinc/92/85/64/192928564.db2.gz NNMDCPCDTIPPHN-UHFFFAOYSA-N 0 0 305.330 2.285 10 30 DEEERN CC1(C#N)CCN(C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000611555862 361629893 /nfs/dbraw/zinc/62/98/93/361629893.db2.gz SERGCIUPERWBOI-UHFFFAOYSA-N 0 0 314.345 2.175 10 30 DEEERN Cc1ncn(Cc2ccc(C#N)cc2)c(=O)c1Br ZINC000090766627 192930270 /nfs/dbraw/zinc/93/02/70/192930270.db2.gz YNMJKYQLCXZPKD-UHFFFAOYSA-N 0 0 304.147 2.234 10 30 DEEERN COC[C@](C)(NCC(=O)Nc1sccc1C#N)C(F)(F)F ZINC000611717318 361666733 /nfs/dbraw/zinc/66/67/33/361666733.db2.gz LWXYUNGRFNKIFN-NSHDSACASA-N 0 0 321.324 2.115 10 30 DEEERN COC[C@@](C)(NCCOc1cccc(C#N)c1)C(F)(F)F ZINC000611718144 361666837 /nfs/dbraw/zinc/66/68/37/361666837.db2.gz RERVWXIPROVJIP-CYBMUJFWSA-N 0 0 302.296 2.494 10 30 DEEERN C=CCOCCCNC(=O)C(=O)NCC1(C)CCC(C)CC1 ZINC000611629150 361649338 /nfs/dbraw/zinc/64/93/38/361649338.db2.gz NHRMIZQWPXFAIQ-UHFFFAOYSA-N 0 0 310.438 2.028 10 30 DEEERN C=CCCC1(CNC(=O)C(=O)NCC2(OC)CCC2)CCCC1 ZINC000611758197 361674823 /nfs/dbraw/zinc/67/48/23/361674823.db2.gz PKNYWWSPTCQTRI-UHFFFAOYSA-N 0 0 322.449 2.315 10 30 DEEERN COCC1(C)CN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)C1 ZINC000447883374 239144239 /nfs/dbraw/zinc/14/42/39/239144239.db2.gz UHGVUIVTCBMWTO-MRXNPFEDSA-N 0 0 316.401 2.457 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619484856 363809391 /nfs/dbraw/zinc/80/93/91/363809391.db2.gz JRNIXKISMHKTGI-UHFFFAOYSA-N 0 0 314.363 2.190 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H](C)COCC1CC1 ZINC000612034637 361727909 /nfs/dbraw/zinc/72/79/09/361727909.db2.gz YOAQSRSYLOLCLP-NUEKZKHPSA-N 0 0 322.449 2.169 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@H]1CCc2ccc(O)cc21 ZINC000612036967 361729081 /nfs/dbraw/zinc/72/90/81/361729081.db2.gz BFTPGBDPDDDHAZ-INIZCTEOSA-N 0 0 316.401 2.358 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnc2c(C)cccc2c1=O ZINC000620314033 364014239 /nfs/dbraw/zinc/01/42/39/364014239.db2.gz PMBYGOPPZISMOD-GASCZTMLSA-N 0 0 323.396 2.415 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000620260907 364003210 /nfs/dbraw/zinc/00/32/10/364003210.db2.gz AGQCQUKRBGRPNL-IAGOWNOFSA-N 0 0 316.401 2.137 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000620317711 364015341 /nfs/dbraw/zinc/01/53/41/364015341.db2.gz YIZHHBPZXSRHCL-DVOMOZLQSA-N 0 0 312.369 2.486 10 30 DEEERN C[C@@H](COc1cccc(F)c1)NC(=O)c1ccc(C#N)n1C ZINC000448769796 239619568 /nfs/dbraw/zinc/61/95/68/239619568.db2.gz WBKLMSRPMOBQPK-NSHDSACASA-N 0 0 301.321 2.233 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@H](c1ccncc1)C1(CO)CCC1 ZINC000621028343 364229537 /nfs/dbraw/zinc/22/95/37/364229537.db2.gz GQJCOEPNOPXBEW-GOEBONIOSA-N 0 0 318.417 2.383 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000628483497 366863918 /nfs/dbraw/zinc/86/39/18/366863918.db2.gz PTRQLVVBFHBMQG-CYBMUJFWSA-N 0 0 307.415 2.269 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cc3c(ncnc3N(C)C)n2C)C1 ZINC000628488965 366865149 /nfs/dbraw/zinc/86/51/49/366865149.db2.gz LYKXXKIJZQLWKO-LBPRGKRZSA-N 0 0 313.405 2.073 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000628487450 366865280 /nfs/dbraw/zinc/86/52/80/366865280.db2.gz FWCKTZLGZMUQAO-AEFFLSMTSA-N 0 0 314.429 2.312 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@H]2CCc3nnc(C4CC4)n3C2)C1 ZINC000628492556 366866310 /nfs/dbraw/zinc/86/63/10/366866310.db2.gz XIXFCAHQCSIUTB-OCCSQVGLSA-N 0 0 300.406 2.143 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000622948477 364838616 /nfs/dbraw/zinc/83/86/16/364838616.db2.gz IHMUVLYONHCLGJ-SOLBZPMBSA-N 0 0 319.449 2.476 10 30 DEEERN C=CCN(CC=C)C(=O)CN1Cc2ccccc2NC(=O)[C@@H]1C ZINC000623289195 364967392 /nfs/dbraw/zinc/96/73/92/364967392.db2.gz NQMUUASBVWDCQP-AWEZNQCLSA-N 0 0 313.401 2.030 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ncccc3F)C2)C1 ZINC000623742477 365156691 /nfs/dbraw/zinc/15/66/91/365156691.db2.gz SATAMCLQFBQRFC-KGLIPLIRSA-N 0 0 318.396 2.407 10 30 DEEERN CC#CCNC(=O)N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000623822404 365185943 /nfs/dbraw/zinc/18/59/43/365185943.db2.gz HYHMETRVBIFKIU-UHFFFAOYSA-N 0 0 316.405 2.325 10 30 DEEERN CSC1(C#N)CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000091472238 193061768 /nfs/dbraw/zinc/06/17/68/193061768.db2.gz CSXCTTBMPZXDBM-UHFFFAOYSA-N 0 0 307.394 2.485 10 30 DEEERN C=CCOCCCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000624368261 365399171 /nfs/dbraw/zinc/39/91/71/365399171.db2.gz JMSDAUXOPPJISQ-INIZCTEOSA-N 0 0 309.454 2.285 10 30 DEEERN C=CC(C)(C)C(=O)NCC1(OCCO)CCC(F)(F)CC1 ZINC000628663196 366919862 /nfs/dbraw/zinc/91/98/62/366919862.db2.gz VBPXYCHJMFNRGM-UHFFFAOYSA-N 0 0 305.365 2.272 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC3(C2)CCCO3)cc1OC ZINC000628784373 366968010 /nfs/dbraw/zinc/96/80/10/366968010.db2.gz DFORJJMCBJOWPY-UHFFFAOYSA-N 0 0 303.358 2.265 10 30 DEEERN C=CCC(C)(C)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000629434271 367199166 /nfs/dbraw/zinc/19/91/66/367199166.db2.gz WITMRFTYMDMNFA-INIZCTEOSA-N 0 0 317.433 2.001 10 30 DEEERN C=CCCO[C@H](C)C(=O)NC1(c2cc(C)no2)CCOCC1 ZINC000629727369 367315848 /nfs/dbraw/zinc/31/58/48/367315848.db2.gz CLRPLHGQZCEONX-CYBMUJFWSA-N 0 0 308.378 2.086 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2ccc3nnc(C(C)C)n3c2)C1=O ZINC000630518064 367702102 /nfs/dbraw/zinc/70/21/02/367702102.db2.gz DKHDLXONEIZZQM-GFCCVEGCSA-N 0 0 313.361 2.244 10 30 DEEERN C=CCC[C@@H](CO)Nc1ncnc2c(OC)cc(OC)cc12 ZINC000450914866 242389605 /nfs/dbraw/zinc/38/96/05/242389605.db2.gz ORDTUGANAFGHSW-NSHDSACASA-N 0 0 303.362 2.386 10 30 DEEERN C/C=C\C[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)C(=O)OCC ZINC000450917233 242389709 /nfs/dbraw/zinc/38/97/09/242389709.db2.gz SQPYANFFQRPWQX-PSPLKBHWSA-N 0 0 304.390 2.475 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cccc(NC(=O)C3CC3)c2)C1=O ZINC000630503923 367694021 /nfs/dbraw/zinc/69/40/21/367694021.db2.gz ZRFFYFXOCUWMLN-CQSZACIVSA-N 0 0 313.357 2.426 10 30 DEEERN C=C1CC(C)(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC000630713025 367807290 /nfs/dbraw/zinc/80/72/90/367807290.db2.gz XWAFONXWVHRVFG-UHFFFAOYSA-N 0 0 313.357 2.033 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@@H](C)N2CCc3ccccc32)C1=O ZINC000630970360 367942425 /nfs/dbraw/zinc/94/24/25/367942425.db2.gz MQFYLEUFPXBIPB-UKRRQHHQSA-N 0 0 313.401 2.324 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@H](C)N(C)c2ccccc2)C1=O ZINC000630972681 367944216 /nfs/dbraw/zinc/94/42/16/367944216.db2.gz ZPFJXSQNPNZBJY-DZGCQCFKSA-N 0 0 301.390 2.398 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H]2CCc3cc(OC)ccc3C2)C1=O ZINC000630973831 367945376 /nfs/dbraw/zinc/94/53/76/367945376.db2.gz FWZJPZJYLDCVBR-GOEBONIOSA-N 0 0 314.385 2.439 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H](CC)c2c(C)nn(C)c2C)C1=O ZINC000630976059 367946313 /nfs/dbraw/zinc/94/63/13/367946313.db2.gz OCPGESUQODITFP-QWHCGFSZSA-N 0 0 304.394 2.375 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2COc3cccc(C)c3C2)C1=O ZINC000630984171 367950656 /nfs/dbraw/zinc/95/06/56/367950656.db2.gz AKXWUPIIDKKQDW-OCCSQVGLSA-N 0 0 300.358 2.185 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@@H]2C[C@H](c3ccccc3)CO2)C1=O ZINC000630986235 367951981 /nfs/dbraw/zinc/95/19/81/367951981.db2.gz IBDXJSAKACORMR-HRCADAONSA-N 0 0 314.385 2.446 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2CCO[C@@H](c3cccnc3)C2)C1=O ZINC000630987493 367953138 /nfs/dbraw/zinc/95/31/38/367953138.db2.gz TVIDXLVVFJWFJU-RBSFLKMASA-N 0 0 315.373 2.188 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1N=c1cc(-c2ccccc2)n2[nH]cnc2n1 ZINC000631300776 368131991 /nfs/dbraw/zinc/13/19/91/368131991.db2.gz KFJPHTNGLMAXLR-ZBFHGGJFSA-N 0 0 321.384 2.359 10 30 DEEERN CC(=O)c1ccc(C#N)c(N2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1 ZINC000631420824 368213942 /nfs/dbraw/zinc/21/39/42/368213942.db2.gz CLFLDOJDUHOILA-RTBURBONSA-N 0 0 322.364 2.389 10 30 DEEERN C=C(C)CCNS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000451803690 243482615 /nfs/dbraw/zinc/48/26/15/243482615.db2.gz RWRJHGXIRKYLPB-UHFFFAOYSA-N 0 0 317.794 2.371 10 30 DEEERN C[C@@H](NC(=O)c1csc(C#CCCO)c1)c1cccnc1 ZINC000093973835 193332485 /nfs/dbraw/zinc/33/24/85/193332485.db2.gz FCHSAYPEDNBDMJ-GFCCVEGCSA-N 0 0 300.383 2.368 10 30 DEEERN Cc1cc(S(=O)(=O)N(C)CCC#N)sc1Br ZINC000094433456 193370451 /nfs/dbraw/zinc/37/04/51/193370451.db2.gz ZGGQXKJRBVDVSL-UHFFFAOYSA-N 0 0 323.237 2.353 10 30 DEEERN Cc1cc(C(=O)NCc2cccc(F)c2)sc1C#CCO ZINC000094534063 193377509 /nfs/dbraw/zinc/37/75/09/193377509.db2.gz HUNBROXDBLAGSY-UHFFFAOYSA-N 0 0 303.358 2.469 10 30 DEEERN Cc1ccsc1CNC(=O)c1ccc(F)cc1C#CCO ZINC000094883447 193405415 /nfs/dbraw/zinc/40/54/15/193405415.db2.gz SYRNUAMCTGTJCU-UHFFFAOYSA-N 0 0 303.358 2.469 10 30 DEEERN COC(=O)c1ccc(CN2CCC(C#N)(SC)CC2)nc1 ZINC000094761672 193395815 /nfs/dbraw/zinc/39/58/15/193395815.db2.gz SGUBEBYZXIOILC-UHFFFAOYSA-N 0 0 305.403 2.089 10 30 DEEERN Cc1cc(C(=O)NC[C@@]2(C)CCCO2)sc1C#CCCO ZINC000094808473 193399778 /nfs/dbraw/zinc/39/97/78/193399778.db2.gz QKHFAOBPWPMBFO-MRXNPFEDSA-N 0 0 307.415 2.089 10 30 DEEERN CC(=O)N1CCC(C(=O)NCC#Cc2cccc(Cl)c2)CC1 ZINC000096343979 193613967 /nfs/dbraw/zinc/61/39/67/193613967.db2.gz AHKFZOSGNNQLNH-UHFFFAOYSA-N 0 0 318.804 2.066 10 30 DEEERN C=CCN(c1nnc(-c2nnn(C)c2C)n1CC(C)C)C1CC1 ZINC000453504459 245169754 /nfs/dbraw/zinc/16/97/54/245169754.db2.gz DDLUSKQGZOZULG-UHFFFAOYSA-N 0 0 315.425 2.193 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)CC(C)(C)O ZINC000453865660 245331505 /nfs/dbraw/zinc/33/15/05/245331505.db2.gz GIULKNGLAGJVMD-CYBMUJFWSA-N 0 0 318.417 2.409 10 30 DEEERN Cc1cc(C#N)cc(C)c1Oc1ccc(S(N)(=O)=O)cn1 ZINC000160173034 197390770 /nfs/dbraw/zinc/39/07/70/197390770.db2.gz WNMNMJJZSJLSRG-UHFFFAOYSA-N 0 0 303.343 2.010 10 30 DEEERN CNC(=O)[C@H](OS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000098088219 193784348 /nfs/dbraw/zinc/78/43/48/193784348.db2.gz ZXULXMJUEFTWLC-OAHLLOKOSA-N 0 0 319.382 2.188 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000274349632 211536405 /nfs/dbraw/zinc/53/64/05/211536405.db2.gz OVLIFSMCMPTWMP-SECBINFHSA-N 0 0 302.300 2.241 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)NCc1cc(Cl)ccc1OC ZINC000457871210 248053312 /nfs/dbraw/zinc/05/33/12/248053312.db2.gz WZTIJNBFTFNBCA-ZDUSSCGKSA-N 0 0 312.797 2.475 10 30 DEEERN C=CCNC(=O)c1ccc(NC[C@H](CO)c2ccccc2)nc1 ZINC000487668970 248767689 /nfs/dbraw/zinc/76/76/89/248767689.db2.gz VSFILUJVCQVNLE-MRXNPFEDSA-N 0 0 311.385 2.185 10 30 DEEERN C#CCn1c(CCNC(=O)c2cccnc2)nc2ccccc21 ZINC000040181243 183044977 /nfs/dbraw/zinc/04/49/77/183044977.db2.gz MQABCQPYEXUEMQ-UHFFFAOYSA-N 0 0 304.353 2.037 10 30 DEEERN COc1cccc(NC(=O)Nc2ncc(C#CCO)s2)c1 ZINC000041093375 183164732 /nfs/dbraw/zinc/16/47/32/183164732.db2.gz IGBMFEYBBOWXAZ-UHFFFAOYSA-N 0 0 303.343 2.140 10 30 DEEERN CCCC(=O)N1CCN([C@@H](C#N)c2cccc(OC)c2)CC1 ZINC000041258927 183182271 /nfs/dbraw/zinc/18/22/71/183182271.db2.gz AYZXWIWSDTYMKU-INIZCTEOSA-N 0 0 301.390 2.204 10 30 DEEERN N#CCCN(C1CC1)S(=O)(=O)c1cccc2cnccc21 ZINC000042301731 183251426 /nfs/dbraw/zinc/25/14/26/183251426.db2.gz JNFLUJBBXNZQJF-UHFFFAOYSA-N 0 0 301.371 2.302 10 30 DEEERN CCN(CC/C(N)=N/O)C(=O)c1ccc(Br)cc1 ZINC000042453889 183271914 /nfs/dbraw/zinc/27/19/14/183271914.db2.gz ZWKCGNFZJAQCCT-UHFFFAOYSA-N 0 0 314.183 2.048 10 30 DEEERN CCN(CC(F)(F)F)C(=O)c1ccc(F)cc1C#CCO ZINC000042797466 183310503 /nfs/dbraw/zinc/31/05/03/183310503.db2.gz SIJPZVMKHVGFLY-UHFFFAOYSA-N 0 0 303.255 2.194 10 30 DEEERN COCc1nc2n(n1)CCC[C@@H]2Nc1snc(Cl)c1C#N ZINC000268381587 206674090 /nfs/dbraw/zinc/67/40/90/206674090.db2.gz JPWDRSPBUSCREB-QMMMGPOBSA-N 0 0 324.797 2.353 10 30 DEEERN C[C@@H](NC(=O)C1(C#N)CCOCC1)c1ccccc1-n1cccn1 ZINC000159515153 197359366 /nfs/dbraw/zinc/35/93/66/197359366.db2.gz AQVMEULBDSGAJW-CQSZACIVSA-N 0 0 324.384 2.370 10 30 DEEERN N#CCCCN1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000105865581 194149930 /nfs/dbraw/zinc/14/99/30/194149930.db2.gz LFXPSBISFZKGFW-UHFFFAOYSA-N 0 0 309.417 2.294 10 30 DEEERN CC(C)c1cc(C(=O)N2CCO[C@H](C#N)C2)nn1C(C)(C)C ZINC000106047163 194182085 /nfs/dbraw/zinc/18/20/85/194182085.db2.gz SXPKUVRUVFKFBV-GFCCVEGCSA-N 0 0 304.394 2.126 10 30 DEEERN CCOC(=O)CSCc1cc(C#CCCO)ccc1OC ZINC000049623420 183748295 /nfs/dbraw/zinc/74/82/95/183748295.db2.gz ZPZQHNPTLYKADU-UHFFFAOYSA-N 0 0 308.399 2.225 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(-c2nnco2)ccc1C ZINC000273550458 210860869 /nfs/dbraw/zinc/86/08/69/210860869.db2.gz FVTYENXIYCCVRN-LBPRGKRZSA-N 0 0 302.334 2.104 10 30 DEEERN N#Cc1cc(F)ccc1CN1CCCC[C@H]1CN1CCOCC1 ZINC000109821394 194290454 /nfs/dbraw/zinc/29/04/54/194290454.db2.gz LILSFTAKHVANEI-SFHVURJKSA-N 0 0 317.408 2.384 10 30 DEEERN Cc1nc(SCC(=O)Nc2ccccn2)c(C#N)cc1C#N ZINC000059371147 184138107 /nfs/dbraw/zinc/13/81/07/184138107.db2.gz UPSCBDOBMCLWGD-UHFFFAOYSA-N 0 0 309.354 2.259 10 30 DEEERN CC(=O)O/N=C(/c1cc(F)ccc1O)C1CCN(C(C)=O)CC1 ZINC000059602915 184139298 /nfs/dbraw/zinc/13/92/98/184139298.db2.gz OZILBVTVQBXLTN-FBMGVBCBSA-N 0 0 322.336 2.057 10 30 in-vitro DEEERN CC(C)n1c(=O)[nH]nc1SCc1cc(C#CCCO)cs1 ZINC000061606910 184177766 /nfs/dbraw/zinc/17/77/66/184177766.db2.gz DNXMCCBVOICPMM-UHFFFAOYSA-N 0 0 323.443 2.240 10 30 DEEERN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000538708796 285051428 /nfs/dbraw/zinc/05/14/28/285051428.db2.gz JOZQWRGPEAPXHX-GFCCVEGCSA-N 0 0 317.389 2.470 10 30 DEEERN N#Cc1cc2c(nc1N1CC[C@](O)(C(F)(F)F)C1)CCCC2 ZINC000271021168 208559162 /nfs/dbraw/zinc/55/91/62/208559162.db2.gz ZGTAEMWIZCOAEJ-CQSZACIVSA-N 0 0 311.307 2.336 10 30 DEEERN N#Cc1nc(N2CCN(CC3CCCC3)C(=O)C2)ccc1Cl ZINC000158367051 197266698 /nfs/dbraw/zinc/26/66/98/197266698.db2.gz KWTKGXAEYGCULK-UHFFFAOYSA-N 0 0 318.808 2.445 10 30 DEEERN N#Cc1cc(Br)ccc1OCC(=O)[C@@H]1CCOC1 ZINC000158293422 197259957 /nfs/dbraw/zinc/25/99/57/197259957.db2.gz LTMYKJVVTWVWHD-SECBINFHSA-N 0 0 310.147 2.305 10 30 DEEERN CC(C)Oc1ccc(NC(=O)NCc2ccnn2C)cc1C#N ZINC000157712158 197209958 /nfs/dbraw/zinc/20/99/58/197209958.db2.gz PIBBGZGJRNOZGO-UHFFFAOYSA-N 0 0 313.361 2.401 10 30 DEEERN N#C[C@]1([C@H](O)c2ccc3ccccc3c2)CCS(=O)(=O)C1 ZINC000157645001 197205114 /nfs/dbraw/zinc/20/51/14/197205114.db2.gz XPJCWQWVPCKIHU-HZPDHXFCSA-N 0 0 301.367 2.202 10 30 DEEERN CC(C)(C)c1ccc([C@H](O)[C@@]2(C#N)CCS(=O)(=O)C2)cc1 ZINC000157639682 197203822 /nfs/dbraw/zinc/20/38/22/197203822.db2.gz AGQGKXRZWZQANL-GOEBONIOSA-N 0 0 307.415 2.346 10 30 DEEERN Cc1c(C#CCO)cccc1C(=O)NC[C@@H]1CCCCS1 ZINC000156562751 197123503 /nfs/dbraw/zinc/12/35/03/197123503.db2.gz FURSCJBMEQPPIV-HNNXBMFYSA-N 0 0 303.427 2.354 10 30 DEEERN O=C(NC[C@@H]1CCCCS1)c1ccc(C#CCO)c(F)c1 ZINC000156562490 197123505 /nfs/dbraw/zinc/12/35/05/197123505.db2.gz SZBLARFLOVKGQJ-AWEZNQCLSA-N 0 0 307.390 2.185 10 30 DEEERN N#Cc1cc(F)c(S(=O)(=O)N(CC(F)F)C2CC2)c(F)c1 ZINC000125223672 195724778 /nfs/dbraw/zinc/72/47/78/195724778.db2.gz KAPVKDBJGVTOTF-UHFFFAOYSA-N 0 0 322.283 2.255 10 30 DEEERN N#CCNC(=O)CNc1c(Cl)cc(F)cc1Br ZINC000125412268 195746372 /nfs/dbraw/zinc/74/63/72/195746372.db2.gz MFOKKDLBZWIXIJ-UHFFFAOYSA-N 0 0 320.549 2.293 10 30 DEEERN Cc1nnc(NC(=O)c2ccc(C#CCCO)c(Cl)c2)o1 ZINC000127808239 195912728 /nfs/dbraw/zinc/91/27/28/195912728.db2.gz OXMASVJDNMNNKK-UHFFFAOYSA-N 0 0 305.721 2.018 10 30 DEEERN COC(=O)CCCN(C)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188047159 533376626 /nfs/dbraw/zinc/37/66/26/533376626.db2.gz JEUULOGCFBGGQQ-UHFFFAOYSA-N 0 0 300.358 2.001 10 30 DEEERN C[S@](=O)c1cccc(NC(=O)N2CCO[C@H](C3CC3)C2)c1 ZINC000330123826 533588041 /nfs/dbraw/zinc/58/80/41/533588041.db2.gz HSIJMDXDOHVYAY-QKKBWIMNSA-N 0 0 308.403 2.080 10 30 DEEERN CCOc1cccnc1C(=O)NCCOc1ccc(C#N)cc1 ZINC000176484734 132520229 /nfs/dbraw/zinc/52/02/29/132520229.db2.gz NVXFCSWKAZCNRQ-UHFFFAOYSA-N 0 0 311.341 2.161 10 30 DEEERN N#Cc1cnc2c(F)c(F)c(F)cc2c1NCCc1cn[nH]c1 ZINC000357622246 133089218 /nfs/dbraw/zinc/08/92/18/133089218.db2.gz CJMRUZTVCYXSGU-UHFFFAOYSA-N 0 0 317.274 2.323 10 30 DEEERN N#Cc1cccc(CCNC(=O)c2ccnc3ccncc32)c1 ZINC000357684813 133093212 /nfs/dbraw/zinc/09/32/12/133093212.db2.gz GBSANYXTYIBWFW-UHFFFAOYSA-N 0 0 302.337 2.474 10 30 DEEERN CCCN(C(=O)c1sccc1C#N)[C@H](COC)C(=O)OCC ZINC000360451503 133183361 /nfs/dbraw/zinc/18/33/61/133183361.db2.gz GNNDDPURHKIDFC-GFCCVEGCSA-N 0 0 324.402 2.050 10 30 DEEERN N#Cc1cccc(NC(=O)C2CCN(Cc3ncccn3)CC2)c1 ZINC000361866608 133196595 /nfs/dbraw/zinc/19/65/95/133196595.db2.gz BGZVDTMOAZEHSV-UHFFFAOYSA-N 0 0 321.384 2.199 10 30 DEEERN N#Cc1ccncc1N1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000372808430 133367198 /nfs/dbraw/zinc/36/71/98/133367198.db2.gz YDPXYQDWARBAFY-AWEZNQCLSA-N 0 0 318.384 2.455 10 30 DEEERN C[C@@H]1CC[C@H](CCC(=O)N2CC(Oc3ccc(C#N)cc3)C2)O1 ZINC000130517410 144754135 /nfs/dbraw/zinc/75/41/35/144754135.db2.gz IHPBVOHBYDHXPK-UKRRQHHQSA-N 0 0 314.385 2.496 10 30 DEEERN N#Cc1ccc(CC(=O)N2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000178601621 144861536 /nfs/dbraw/zinc/86/15/36/144861536.db2.gz MZSRNLOAXWREQL-SFHVURJKSA-N 0 0 322.364 2.406 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)NCc2ccoc2)cn1 ZINC000184646643 144947029 /nfs/dbraw/zinc/94/70/29/144947029.db2.gz ZBTMUISRHYHFOR-UHFFFAOYSA-N 0 0 308.301 2.054 10 30 DEEERN Cc1nn(C)cc1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000187610064 145001220 /nfs/dbraw/zinc/00/12/20/145001220.db2.gz WDGFCYOECHHRJB-HNNXBMFYSA-N 0 0 309.373 2.208 10 30 DEEERN Cc1cc(C[C@H](C)NC(=O)C2(c3ccc(C#N)cc3)CC2)[nH]n1 ZINC000188767687 145017404 /nfs/dbraw/zinc/01/74/04/145017404.db2.gz MZXHBEGSAOSUAO-LBPRGKRZSA-N 0 0 308.385 2.369 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2n[nH]c3c2CCCCC3)cc1 ZINC000190502228 145043734 /nfs/dbraw/zinc/04/37/34/145043734.db2.gz YEFTUIRHKNEVGF-UHFFFAOYSA-N 0 0 324.384 2.359 10 30 DEEERN N#Cc1ccc(CS(=O)(=O)Cc2ccc(CO)cc2)cc1F ZINC000190947452 145050763 /nfs/dbraw/zinc/05/07/63/145050763.db2.gz CDXLCLXMZWYZTE-UHFFFAOYSA-N 0 0 319.357 2.305 10 30 DEEERN COc1cccc(CNc2cnn(-c3ncccc3C#N)c2)n1 ZINC000191600712 145061367 /nfs/dbraw/zinc/06/13/67/145061367.db2.gz SKSALZBDRSXEBC-UHFFFAOYSA-N 0 0 306.329 2.155 10 30 DEEERN COc1ccnc(NC2CCN(Cc3ccc(C#N)o3)CC2)n1 ZINC000191692843 145062759 /nfs/dbraw/zinc/06/27/59/145062759.db2.gz NHEPCAMCWJPORN-UHFFFAOYSA-N 0 0 313.361 2.026 10 30 DEEERN C[C@@H]1C(=O)NCCCN1Cc1cc(C#N)ccc1Br ZINC000191895869 145067084 /nfs/dbraw/zinc/06/70/84/145067084.db2.gz FUCMJFUDOVOHRD-SNVBAGLBSA-N 0 0 322.206 2.031 10 30 DEEERN Cc1cc(C)n2ncc(-c3noc(-c4ccnc(C#N)c4)n3)c2n1 ZINC000193174222 145083624 /nfs/dbraw/zinc/08/36/24/145083624.db2.gz DEYZMPOBHFIXCJ-UHFFFAOYSA-N 0 0 317.312 2.330 10 30 DEEERN COCC[C@H](COC)Nc1ncc(Br)cc1C#N ZINC000336794196 145397917 /nfs/dbraw/zinc/39/79/17/145397917.db2.gz ACYYJHUZSZQTJR-LLVKDONJSA-N 0 0 314.183 2.179 10 30 DEEERN CC(=O)N(C)CCc1noc([C@@H](C)Oc2ccccc2C#N)n1 ZINC000357226632 147067394 /nfs/dbraw/zinc/06/73/94/147067394.db2.gz UNZIYWQLSMQBPR-LLVKDONJSA-N 0 0 314.345 2.102 10 30 DEEERN CCOC(=O)c1ccc(C#N)c(SCc2ncccn2)n1 ZINC000358333761 147115078 /nfs/dbraw/zinc/11/50/78/147115078.db2.gz IFPHTBOECBTNJZ-UHFFFAOYSA-N 0 0 300.343 2.212 10 30 DEEERN N#Cc1cc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)ccc1F ZINC000366834786 147678353 /nfs/dbraw/zinc/67/83/53/147678353.db2.gz VTRZFLHTCAJSQJ-MRXNPFEDSA-N 0 0 323.327 2.233 10 30 DEEERN CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(c2ccc(C#N)cc2)C1 ZINC000372281143 148189342 /nfs/dbraw/zinc/18/93/42/148189342.db2.gz JUHTXOBLTGORIL-CQSZACIVSA-N 0 0 323.400 2.367 10 30 DEEERN N#Cc1ccc([C@H](O)CN2CCO[C@H](c3nccs3)C2)cc1 ZINC000127377004 401731654 /nfs/dbraw/zinc/73/16/54/401731654.db2.gz ZRUZBKGOKMUKPR-CABCVRRESA-N 0 0 315.398 2.122 10 30 DEEERN CCOC(=O)c1sc([C@@H](C)Nc2cnc(C#N)cn2)nc1C ZINC000126915495 401713153 /nfs/dbraw/zinc/71/31/53/401713153.db2.gz VULGJJYGJTTWSP-SECBINFHSA-N 0 0 317.374 2.463 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000076490353 401796294 /nfs/dbraw/zinc/79/62/94/401796294.db2.gz NRTGPZYLNVTGNW-UHFFFAOYSA-N 0 0 322.430 2.166 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H](C)N1C(=O)c2ccc(C)cc2C1=O ZINC000076484632 401796670 /nfs/dbraw/zinc/79/66/70/401796670.db2.gz YMDHUOSYEVSHPJ-CYBMUJFWSA-N 0 0 314.385 2.404 10 30 DEEERN C#CCCCCNc1ncc(C(=O)N2CCOCC2)cc1Cl ZINC000130598498 401835645 /nfs/dbraw/zinc/83/56/45/401835645.db2.gz RRGFAZBICAMWHH-UHFFFAOYSA-N 0 0 321.808 2.423 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN2CCC[C@@H]2C(=O)N(C)C)c1C ZINC000078255056 401844907 /nfs/dbraw/zinc/84/49/07/401844907.db2.gz MPWFWBCSKFBLHK-MRXNPFEDSA-N 0 0 317.433 2.026 10 30 DEEERN CC(C)CCN(CCC#N)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000116340229 401850198 /nfs/dbraw/zinc/85/01/98/401850198.db2.gz DSZLHCBWLGACBV-CQSZACIVSA-N 0 0 301.456 2.225 10 30 DEEERN C=CCCCN(C)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000135114458 401927510 /nfs/dbraw/zinc/92/75/10/401927510.db2.gz IQKDOUZDGZOCNQ-UHFFFAOYSA-N 0 0 306.318 2.420 10 30 DEEERN CC(C)(C#N)c1ccccc1CN1CCS(=O)(=O)C(C)(C)C1 ZINC000135285229 401933862 /nfs/dbraw/zinc/93/38/62/401933862.db2.gz AXMXUOKERNYNJQ-UHFFFAOYSA-N 0 0 320.458 2.497 10 30 DEEERN CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)[C@@H]1CCCO1 ZINC000133496729 401888426 /nfs/dbraw/zinc/88/84/26/401888426.db2.gz PBQNFIOWJHJQCS-INWMFGNUSA-N 0 0 302.374 2.399 10 30 DEEERN CC(C)C(=O)Nc1ccc(CNC(=O)c2cc(C#N)cn2C)cc1 ZINC000080978866 401893240 /nfs/dbraw/zinc/89/32/40/401893240.db2.gz ACLLOSSAZYXADK-UHFFFAOYSA-N 0 0 324.384 2.421 10 30 DEEERN C[C@@H]1CC[C@H](C)N(CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000081517240 401896449 /nfs/dbraw/zinc/89/64/49/401896449.db2.gz ICEXIZZBLXUIRO-KGLIPLIRSA-N 0 0 306.431 2.452 10 30 DEEERN C=CCNC(=O)[C@@H]1CCN(c2ccc(Br)cc2)C1=O ZINC000037263457 401911486 /nfs/dbraw/zinc/91/14/86/401911486.db2.gz YSEOLDJIVUOGPN-LBPRGKRZSA-N 0 0 323.190 2.104 10 30 DEEERN C=C(C)C(=O)OCCC[C@@H](COC(=O)C(=C)C)OC(=O)C(=C)C ZINC000039363498 401924061 /nfs/dbraw/zinc/92/40/61/401924061.db2.gz URUBKUWOUQPJQL-AWEZNQCLSA-N 0 0 324.373 2.493 10 30 DEEERN COCCCCS(=O)(=O)Oc1ccc(C#N)cc1Cl ZINC000136102921 401960322 /nfs/dbraw/zinc/96/03/22/401960322.db2.gz BMCDXMGMTAOEJA-UHFFFAOYSA-N 0 0 303.767 2.347 10 30 DEEERN N#CCOc1cccc(CC(=O)N2CCO[C@H]3CCCC[C@H]32)c1 ZINC000089760095 401960992 /nfs/dbraw/zinc/96/09/92/401960992.db2.gz KFGZECGUYBUPJY-SJORKVTESA-N 0 0 314.385 2.301 10 30 DEEERN C=CCCOCC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000143357860 401991055 /nfs/dbraw/zinc/99/10/55/401991055.db2.gz ZURAMMBPZFKWLS-ZDUSSCGKSA-N 0 0 300.362 2.037 10 30 DEEERN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H](C)C#N)cc1Cl ZINC000091280790 401995624 /nfs/dbraw/zinc/99/56/24/401995624.db2.gz XZOPBWCVPQOFSD-JTQLQIEISA-N 0 0 323.780 2.342 10 30 DEEERN N#Cc1ccsc1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000052030995 402038549 /nfs/dbraw/zinc/03/85/49/402038549.db2.gz HLTMRNFXBSULPM-UHFFFAOYSA-N 0 0 312.398 2.414 10 30 DEEERN CCc1ncsc1C(=O)NCCOc1ccc(C#N)cc1 ZINC000123086601 402109581 /nfs/dbraw/zinc/10/95/81/402109581.db2.gz XCWJHCIFNIIIOS-UHFFFAOYSA-N 0 0 301.371 2.386 10 30 DEEERN Cn1cc(CNC(=O)C2(C#N)CCCC2)c(C(F)(F)F)n1 ZINC000153909525 402179353 /nfs/dbraw/zinc/17/93/53/402179353.db2.gz IPFQFFVHFMKVBP-UHFFFAOYSA-N 0 0 300.284 2.139 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000124510913 402183376 /nfs/dbraw/zinc/18/33/76/402183376.db2.gz AOQWXWNGYRMMQG-OAHLLOKOSA-N 0 0 309.373 2.011 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCCCOCC1CCOCC1 ZINC000124911776 402203473 /nfs/dbraw/zinc/20/34/73/402203473.db2.gz DCSQXPPAMFOKQY-UHFFFAOYSA-N 0 0 316.401 2.430 10 30 DEEERN C#CCN(C(=O)N[C@@H]1CCCn2nc(C)nc21)C1CCCC1 ZINC000124167382 402166745 /nfs/dbraw/zinc/16/67/45/402166745.db2.gz KUDDZCTTWAQUDJ-CQSZACIVSA-N 0 0 301.394 2.009 10 30 DEEERN CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1CCCCO1 ZINC000106867198 402218534 /nfs/dbraw/zinc/21/85/34/402218534.db2.gz HRDYITHFKUSUSL-WBVHZDCISA-N 0 0 309.454 2.322 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000154648372 402223663 /nfs/dbraw/zinc/22/36/63/402223663.db2.gz WBJAEKNAILGTBH-UHFFFAOYSA-N 0 0 319.409 2.146 10 30 DEEERN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C#N)C1CC1 ZINC000108836786 402262549 /nfs/dbraw/zinc/26/25/49/402262549.db2.gz ABHDGLYPUDIURK-AWEZNQCLSA-N 0 0 313.357 2.144 10 30 DEEERN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@@H](C#N)C1CC1 ZINC000108835153 402262636 /nfs/dbraw/zinc/26/26/36/402262636.db2.gz YMNROSXXJIKLLV-HNNXBMFYSA-N 0 0 322.368 2.090 10 30 DEEERN C[C@H]1CN([C@@H](CNC(=O)C(C)(C)C#N)c2cccs2)CCO1 ZINC000176597206 402322305 /nfs/dbraw/zinc/32/23/05/402322305.db2.gz FWWUYFJMSGDGRJ-STQMWFEESA-N 0 0 321.446 2.176 10 30 DEEERN C=CCCO[C@H](C)C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000157886855 402299460 /nfs/dbraw/zinc/29/94/60/402299460.db2.gz KZMUMGCKVFFQIU-OAHLLOKOSA-N 0 0 317.433 2.456 10 30 DEEERN C#CCC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000184784567 402299543 /nfs/dbraw/zinc/29/95/43/402299543.db2.gz LIQUOEGDEGYNHY-UKRRQHHQSA-N 0 0 302.418 2.038 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000184931871 402310827 /nfs/dbraw/zinc/31/08/27/402310827.db2.gz QTGNTHIQGKNRSQ-LBPRGKRZSA-N 0 0 310.419 2.478 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(OC)c(Br)s1 ZINC000185690383 402370046 /nfs/dbraw/zinc/37/00/46/402370046.db2.gz XYLQYNDGPQAXJX-ZETCQYMHSA-N 0 0 320.208 2.186 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1ccccc1CS(C)(=O)=O ZINC000185780700 402376582 /nfs/dbraw/zinc/37/65/82/402376582.db2.gz NAGLFMVRMZRKJG-ZDUSSCGKSA-N 0 0 309.431 2.450 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cccnc1SC(F)(F)F ZINC000185883208 402385826 /nfs/dbraw/zinc/38/58/26/402385826.db2.gz CDEXBJNSGHYHDO-QMMMGPOBSA-N 0 0 306.309 2.360 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000176653805 402326782 /nfs/dbraw/zinc/32/67/82/402326782.db2.gz OVCJOFAMCUDJAG-UHFFFAOYSA-N 0 0 301.253 2.019 10 30 DEEERN C#C[C@@H](C)NC(=O)N1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000185983508 402395181 /nfs/dbraw/zinc/39/51/81/402395181.db2.gz NIGVAPPJSXCQRS-CHWSQXEVSA-N 0 0 302.374 2.224 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NC1CCN(c2ncccn2)CC1 ZINC000161677575 402395467 /nfs/dbraw/zinc/39/54/67/402395467.db2.gz ZCJPPUYXNMEHIR-UHFFFAOYSA-N 0 0 321.384 2.056 10 30 DEEERN N#C[C@H](NC(=O)c1ccccc1COC1CCOCC1)C1CC1 ZINC000161771714 402398431 /nfs/dbraw/zinc/39/84/31/402398431.db2.gz LYCKEUUUVLYRNM-KRWDZBQOSA-N 0 0 314.385 2.414 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](C2N=NC(=S)N2C)C1 ZINC000186265325 402416058 /nfs/dbraw/zinc/41/60/58/402416058.db2.gz LGWCUKAAOVPSLA-RYUDHWBXSA-N 0 0 308.451 2.412 10 30 DEEERN Cc1ccc(C(=O)NCCNC(=O)c2ccc(C#N)cc2C)cc1 ZINC000162387072 402418186 /nfs/dbraw/zinc/41/81/86/402418186.db2.gz DIYCMKKBMBMINA-UHFFFAOYSA-N 0 0 321.380 2.335 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1coc(-c2ccccc2)n1 ZINC000186294926 402418799 /nfs/dbraw/zinc/41/87/99/402418799.db2.gz PLWDJXWCKYEPMI-ZDUSSCGKSA-N 0 0 301.346 2.078 10 30 DEEERN C[C@@H](NC(=O)Nc1ncccc1OCCCC#N)[C@@H]1CCCO1 ZINC000186451769 402432207 /nfs/dbraw/zinc/43/22/07/402432207.db2.gz NYGCUEHJAYULPX-OLZOCXBDSA-N 0 0 318.377 2.453 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000186653498 402451419 /nfs/dbraw/zinc/45/14/19/402451419.db2.gz UXABJYSLAMMQAN-VIFPVBQESA-N 0 0 310.202 2.209 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1csc(-c2ccco2)n1 ZINC000186493867 402436067 /nfs/dbraw/zinc/43/60/67/402436067.db2.gz LBFQEDNXSXXJHO-JTQLQIEISA-N 0 0 307.375 2.139 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCCN(c2ccccn2)CC1 ZINC000186506793 402437592 /nfs/dbraw/zinc/43/75/92/402437592.db2.gz VJDGNLDINITSRT-UHFFFAOYSA-N 0 0 312.398 2.367 10 30 DEEERN N#Cc1cc(F)ccc1NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000177905298 402442649 /nfs/dbraw/zinc/44/26/49/402442649.db2.gz DYPKFRCPOMSZOQ-CVEARBPZSA-N 0 0 311.316 2.477 10 30 DEEERN CC(C)c1cccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c1 ZINC000163294357 402446321 /nfs/dbraw/zinc/44/63/21/402446321.db2.gz DNTIXVWUDILIFW-HNNXBMFYSA-N 0 0 308.403 2.113 10 30 DEEERN C[C@@H](Oc1cccc(CO)c1)C(=O)N(CC#N)C1CCCC1 ZINC000163544401 402452201 /nfs/dbraw/zinc/45/22/01/402452201.db2.gz QIGYKGUFPLZDIV-CYBMUJFWSA-N 0 0 302.374 2.241 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnn(CC(C)C)c1C(F)F ZINC000185950486 402392576 /nfs/dbraw/zinc/39/25/76/402392576.db2.gz ZCOYNNKWGRXREF-SNVBAGLBSA-N 0 0 301.337 2.144 10 30 DEEERN C=CC[C@@H](C)NC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000186730095 402460756 /nfs/dbraw/zinc/46/07/56/402460756.db2.gz DFMJJHLLGDYZFJ-GFCCVEGCSA-N 0 0 303.410 2.083 10 30 DEEERN CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(C#N)cn2C)C12CCC2 ZINC000178112626 402461779 /nfs/dbraw/zinc/46/17/79/402461779.db2.gz HZOOZMVMIHBBGZ-LSDHHAIUSA-N 0 0 301.390 2.316 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCCN(CC(F)F)CC1 ZINC000164917406 402470905 /nfs/dbraw/zinc/47/09/05/402470905.db2.gz OKYOPPLLAWQKDI-UHFFFAOYSA-N 0 0 307.344 2.280 10 30 DEEERN N#Cc1ccc(NC(=O)COc2ccccc2-c2nc[nH]n2)cc1 ZINC000165349155 402475490 /nfs/dbraw/zinc/47/54/90/402475490.db2.gz VHSIYUFSWCQXJI-UHFFFAOYSA-N 0 0 319.324 2.361 10 30 DEEERN C[C@H](CCNC(=O)N1CCC(C#N)CC1)NC(=O)OC(C)(C)C ZINC000170925385 402541978 /nfs/dbraw/zinc/54/19/78/402541978.db2.gz NOFUQTFQHHRNOP-GFCCVEGCSA-N 0 0 324.425 2.235 10 30 DEEERN C=CCNC(=O)NC(=O)[C@H](C)Nc1cccc([C@H](C)OC)c1 ZINC000171088702 402556431 /nfs/dbraw/zinc/55/64/31/402556431.db2.gz JUDOJDOYZUPNIB-RYUDHWBXSA-N 0 0 305.378 2.206 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCCCc1ccccn1 ZINC000178601600 402516146 /nfs/dbraw/zinc/51/61/46/402516146.db2.gz QCRMRAXIWJYCCJ-CQSZACIVSA-N 0 0 309.369 2.470 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000188539234 402520782 /nfs/dbraw/zinc/52/07/82/402520782.db2.gz DZWFWYSQLRKXEG-OGHNNQOOSA-N 0 0 311.422 2.452 10 30 DEEERN C[C@H](CCNC(=O)NCCCCC#N)NC(=O)OC(C)(C)C ZINC000170884983 402537812 /nfs/dbraw/zinc/53/78/12/402537812.db2.gz IQJJCKGFRRKIEU-GFCCVEGCSA-N 0 0 312.414 2.283 10 30 DEEERN N#CCCCCNC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000171592540 402598423 /nfs/dbraw/zinc/59/84/23/402598423.db2.gz AFVKIGFTOBKRLK-GFCCVEGCSA-N 0 0 321.327 2.128 10 30 DEEERN CC[C@H]1C[C@@H](C(=O)NCCOc2ccc(C#N)cc2)CCO1 ZINC000180281563 402612019 /nfs/dbraw/zinc/61/20/19/402612019.db2.gz NTHQRBSONLORRP-GJZGRUSLSA-N 0 0 302.374 2.258 10 30 DEEERN Cc1cccc(N2C[C@@H](C(=O)N[C@H](C#N)C3CC3)CC2=O)c1C ZINC000171723779 402615156 /nfs/dbraw/zinc/61/51/56/402615156.db2.gz VPXZRUMEJDJQIJ-LSDHHAIUSA-N 0 0 311.385 2.075 10 30 DEEERN C=C(C)CN(C)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000180403901 402615346 /nfs/dbraw/zinc/61/53/46/402615346.db2.gz CUUHGDVVGRXPIK-MRXNPFEDSA-N 0 0 300.402 2.112 10 30 DEEERN Cc1ccc2c(n1)OCCN2C(=O)c1ccccc1OCC#N ZINC000180455386 402616676 /nfs/dbraw/zinc/61/66/76/402616676.db2.gz TXHVDVCZPDOSTQ-UHFFFAOYSA-N 0 0 309.325 2.332 10 30 DEEERN N#Cc1cccc(CNC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000171751291 402618510 /nfs/dbraw/zinc/61/85/10/402618510.db2.gz BTMIVKWTDPAPDC-IRXDYDNUSA-N 0 0 307.353 2.016 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCc2ncnc(OC)c2C1 ZINC000181094440 402634945 /nfs/dbraw/zinc/63/49/45/402634945.db2.gz ZWBYORZWLXUTNS-LBPRGKRZSA-N 0 0 304.394 2.298 10 30 DEEERN COC(=O)c1ccc(-c2nc(Cn3ccnc3C#N)co2)cc1 ZINC000181041809 402633078 /nfs/dbraw/zinc/63/30/78/402633078.db2.gz FEKFIIXFXVAOIA-UHFFFAOYSA-N 0 0 308.297 2.245 10 30 DEEERN N#CC1(c2ccc(C(=O)NCc3nnc4n3CCCC4)cc2)CC1 ZINC000181455802 402646198 /nfs/dbraw/zinc/64/61/98/402646198.db2.gz AVPLNGZCPAHHSE-UHFFFAOYSA-N 0 0 321.384 2.100 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)CC(C)(C)C ZINC000172301551 402648917 /nfs/dbraw/zinc/64/89/17/402648917.db2.gz YCFVXCCQDJLYSV-TZMCWYRMSA-N 0 0 304.390 2.239 10 30 DEEERN CO[C@@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[C@H]1C ZINC000251842129 402650033 /nfs/dbraw/zinc/65/00/33/402650033.db2.gz MUKASRIMPFDKBW-IFUGULHKSA-N 0 0 319.405 2.452 10 30 DEEERN C[C@H]1CC(O)C[C@H](C)N1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000191282231 402657325 /nfs/dbraw/zinc/65/73/25/402657325.db2.gz WHVRQVICLPZMQN-QWRGUYRKSA-N 0 0 321.808 2.384 10 30 DEEERN N#Cc1ccc(OCCNC(=O)[C@H]2COc3ccccc32)cc1 ZINC000173887449 402717806 /nfs/dbraw/zinc/71/78/06/402717806.db2.gz DQZNBPYZWFMYHS-INIZCTEOSA-N 0 0 308.337 2.229 10 30 DEEERN COC(=O)c1ccc(C(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000173905350 402718067 /nfs/dbraw/zinc/71/80/67/402718067.db2.gz FYVLDWIMSJXLMR-UHFFFAOYSA-N 0 0 324.336 2.154 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000182809062 402718229 /nfs/dbraw/zinc/71/82/29/402718229.db2.gz XJXSBBMPSDHJQG-RYUDHWBXSA-N 0 0 308.378 2.001 10 30 DEEERN C#CCSCCNC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000172516628 402660420 /nfs/dbraw/zinc/66/04/20/402660420.db2.gz UVLJWIZIJQAIGA-UHFFFAOYSA-N 0 0 317.458 2.412 10 30 DEEERN N#CC1(c2ccc(C(=O)NCCCC(=O)NC3CC3)cc2)CC1 ZINC000182374010 402684379 /nfs/dbraw/zinc/68/43/79/402684379.db2.gz FTMHWCYRTCBPSF-UHFFFAOYSA-N 0 0 311.385 2.030 10 30 DEEERN N#CCCn1ccc(NC(=O)N[C@@H]2CCOc3ccccc32)n1 ZINC000173332713 402692946 /nfs/dbraw/zinc/69/29/46/402692946.db2.gz GAUWCOLXODXJGE-CYBMUJFWSA-N 0 0 311.345 2.442 10 30 DEEERN CCc1cnc(CCNC(=O)Nc2ccn(CCC#N)n2)s1 ZINC000173353591 402694016 /nfs/dbraw/zinc/69/40/16/402694016.db2.gz GGRHOISZQGATLY-UHFFFAOYSA-N 0 0 318.406 2.180 10 30 DEEERN N#CC1CCN(C(=O)c2cnn(CCC(F)(F)F)c2)CC1 ZINC000182496185 402694669 /nfs/dbraw/zinc/69/46/69/402694669.db2.gz JLQNWBWEGWDNND-UHFFFAOYSA-N 0 0 300.284 2.211 10 30 DEEERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1sccc1C#N ZINC000173454661 402698469 /nfs/dbraw/zinc/69/84/69/402698469.db2.gz KHIDFSZYXAAFCQ-VIFPVBQESA-N 0 0 302.403 2.331 10 30 DEEERN CNc1snc(C)c1C(=O)NCCOc1ccc(C#N)cc1 ZINC000174154307 402729094 /nfs/dbraw/zinc/72/90/94/402729094.db2.gz QKHCEIYRAQIWOL-UHFFFAOYSA-N 0 0 316.386 2.174 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccccc1Br ZINC000183254275 402751268 /nfs/dbraw/zinc/75/12/68/402751268.db2.gz TYRAREQXPQIRFR-NSHDSACASA-N 0 0 313.195 2.185 10 30 DEEERN CC(C)OCCCNC(=O)NCCOc1ccc(C#N)cc1 ZINC000174685052 402751691 /nfs/dbraw/zinc/75/16/91/402751691.db2.gz MBYRMNJFFONBJM-UHFFFAOYSA-N 0 0 305.378 2.051 10 30 DEEERN CN1CCN([C@@H]2CCCC[N@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000174895235 402761535 /nfs/dbraw/zinc/76/15/35/402761535.db2.gz PATVDLGDOOPYFY-LJQANCHMSA-N 0 0 312.461 2.160 10 30 DEEERN Cc1ncsc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183692786 402789352 /nfs/dbraw/zinc/78/93/52/402789352.db2.gz AAXNVTQZYVDCJS-UHFFFAOYSA-N 0 0 310.342 2.156 10 30 DEEERN N#Cc1cc(N[C@@H]2CCCN(c3ncccn3)C2)ccc1[N+](=O)[O-] ZINC000183949939 402807601 /nfs/dbraw/zinc/80/76/01/402807601.db2.gz MIWFWRASJVUXSZ-CQSZACIVSA-N 0 0 324.344 2.337 10 30 DEEERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCc1ccc(C#N)cc1 ZINC000175755052 402829068 /nfs/dbraw/zinc/82/90/68/402829068.db2.gz LCUBKGYEXGVPGT-KRWDZBQOSA-N 0 0 323.400 2.437 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000184262272 402831337 /nfs/dbraw/zinc/83/13/37/402831337.db2.gz LRGTZMOCCFIOKR-KGLIPLIRSA-N 0 0 317.437 2.206 10 30 DEEERN N#Cc1cc(F)ccc1NC(=O)C(=O)NC/C=C/c1ccccc1 ZINC000175984013 402846385 /nfs/dbraw/zinc/84/63/85/402846385.db2.gz BSZFJKYWXLMBJW-QPJJXVBHSA-N 0 0 323.327 2.465 10 30 DEEERN C=CCNC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264167943 402853333 /nfs/dbraw/zinc/85/33/33/402853333.db2.gz YDLPEBFVQXITOX-AWEZNQCLSA-N 0 0 313.401 2.092 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Oc1ccc(-c2ncn(C)n2)cc1 ZINC000278804747 402873003 /nfs/dbraw/zinc/87/30/03/402873003.db2.gz NZIXFBPOXDYNGG-HUUCEWRRSA-N 0 0 313.357 2.369 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000278914537 402885147 /nfs/dbraw/zinc/88/51/47/402885147.db2.gz RCUSXDQGRXDVFN-GOSISDBHSA-N 0 0 313.397 2.286 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ccnc(N2CCCC2)n1 ZINC000265762744 402947152 /nfs/dbraw/zinc/94/71/52/402947152.db2.gz KOMXGVKYVARJCW-UHFFFAOYSA-N 0 0 314.311 2.267 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cn(C)nc1-c1ccccc1 ZINC000273400532 403001780 /nfs/dbraw/zinc/00/17/80/403001780.db2.gz LYIOLWLFZKLWJR-ZDUSSCGKSA-N 0 0 300.362 2.146 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000274279539 403041223 /nfs/dbraw/zinc/04/12/23/403041223.db2.gz JWKSXYLEUAPQQT-AWEZNQCLSA-N 0 0 303.406 2.137 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N2CCC(=O)[C@@H](C)C2)cc1 ZINC000281033510 403057156 /nfs/dbraw/zinc/05/71/56/403057156.db2.gz UNSPFAHSSVEWDY-LBPRGKRZSA-N 0 0 315.373 2.045 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1sc2nccn2c1C ZINC000281343848 403066631 /nfs/dbraw/zinc/06/66/31/403066631.db2.gz JYKHZBMBCQZBRZ-VXGBXAGGSA-N 0 0 305.403 2.415 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)CCCC[C@@H](C)C(C)=O)C1=O ZINC000281601680 403073834 /nfs/dbraw/zinc/07/38/34/403073834.db2.gz DJGIFHOUQRVJEO-UKRRQHHQSA-N 0 0 308.422 2.017 10 30 DEEERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)c2cccc(C#N)c2)cn1 ZINC000275478201 403103157 /nfs/dbraw/zinc/10/31/57/403103157.db2.gz UBHWWVICCSPXLM-DOTOQJQBSA-N 0 0 323.352 2.222 10 30 DEEERN C=CCCCN(C)C(=O)NC1CCN(c2cc(C)[nH]n2)CC1 ZINC000275880118 403130418 /nfs/dbraw/zinc/13/04/18/403130418.db2.gz PSDJAFDXQWXNNI-UHFFFAOYSA-N 0 0 305.426 2.295 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)C(=O)N2CCC(C)CC2)c1 ZINC000282346220 403145570 /nfs/dbraw/zinc/14/55/70/403145570.db2.gz XWSDLSNSZZHPMX-UHFFFAOYSA-N 0 0 313.401 2.390 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC000282508143 403155428 /nfs/dbraw/zinc/15/54/28/403155428.db2.gz FLNOPMNROQYSCQ-QGZVFWFLSA-N 0 0 319.453 2.015 10 30 DEEERN C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC000282678469 403158551 /nfs/dbraw/zinc/15/85/51/403158551.db2.gz SMPAPVGAPQETLH-STQMWFEESA-N 0 0 306.410 2.367 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000277498532 403224012 /nfs/dbraw/zinc/22/40/12/403224012.db2.gz RRQJXULHDWBFDE-LJQANCHMSA-N 0 0 319.408 2.058 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N(C)C[C@H](C)C(=O)NC ZINC000283449996 403198385 /nfs/dbraw/zinc/19/83/85/403198385.db2.gz ZLNNCQQQDPRRKQ-AWEZNQCLSA-N 0 0 321.469 2.261 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)CCOc1ccccc1C ZINC000297954313 403292395 /nfs/dbraw/zinc/29/23/95/403292395.db2.gz WLHYOTZXKBHZTP-UHFFFAOYSA-N 0 0 318.417 2.257 10 30 DEEERN C#CCCOc1ccc(C(=O)N[C@H]2CCC[C@@H](CO)C2)cc1 ZINC000298183041 403325878 /nfs/dbraw/zinc/32/58/78/403325878.db2.gz DULKACZWRCSRIF-ZBFHGGJFSA-N 0 0 301.386 2.370 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000298729187 403449165 /nfs/dbraw/zinc/44/91/65/403449165.db2.gz OSYQURYUQXARQZ-ZDUSSCGKSA-N 0 0 322.430 2.073 10 30 DEEERN CC#CCN(C)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000293681972 403536630 /nfs/dbraw/zinc/53/66/30/403536630.db2.gz ANWSEBMHLRQLKE-UHFFFAOYSA-N 0 0 316.766 2.200 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCC(C)(C)C(=O)OC ZINC000286911606 403549583 /nfs/dbraw/zinc/54/95/83/403549583.db2.gz FTPKRMCRCBHRGQ-HNNXBMFYSA-N 0 0 316.401 2.119 10 30 DEEERN C=CCOc1ccc(CNC(=O)NCC[C@@H]2CCOC2)cc1 ZINC000345967806 403553300 /nfs/dbraw/zinc/55/33/00/403553300.db2.gz VMFGTSIUOTXGCM-OAHLLOKOSA-N 0 0 304.390 2.477 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](CC)N1CCCC1=O ZINC000286416757 403521636 /nfs/dbraw/zinc/52/16/36/403521636.db2.gz BBRZVPAMVHIUPQ-SJORKVTESA-N 0 0 312.413 2.138 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CO)CC(C)C ZINC000287370251 403584945 /nfs/dbraw/zinc/58/49/45/403584945.db2.gz MJECGWWJIDBFMH-DLBZAZTESA-N 0 0 302.418 2.327 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000346414989 403589303 /nfs/dbraw/zinc/58/93/03/403589303.db2.gz AGFLQPXFNMTOMM-ARFHVFGLSA-N 0 0 304.390 2.000 10 30 DEEERN C=CC1CCN(C(=O)[C@@H]2CSCN2C(=O)[C@H](C)CC)CC1 ZINC000346861858 403605458 /nfs/dbraw/zinc/60/54/58/403605458.db2.gz YTUNSQZIQZPYIJ-OCCSQVGLSA-N 0 0 310.463 2.359 10 30 DEEERN N#Cc1cc(F)ccc1N[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000301828139 403686576 /nfs/dbraw/zinc/68/65/76/403686576.db2.gz GBWMPRKGTVOPQN-CQSZACIVSA-N 0 0 310.332 2.419 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@](C)(CC)CCO ZINC000288154096 403735694 /nfs/dbraw/zinc/73/56/94/403735694.db2.gz MJPOTYIORHVEOM-SJLPKXTDSA-N 0 0 302.418 2.471 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000288420547 403751392 /nfs/dbraw/zinc/75/13/92/403751392.db2.gz LWUVHNSAOODWMX-HNNXBMFYSA-N 0 0 314.360 2.253 10 30 DEEERN C=CCOc1ccccc1CNS(=O)(=O)N1CCC[C@H](C)C1 ZINC000303462808 403755245 /nfs/dbraw/zinc/75/52/45/403755245.db2.gz LXGGTBLTYTZHGL-AWEZNQCLSA-N 0 0 324.446 2.318 10 30 DEEERN C#CCO[C@H](C)C(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000295098427 403759217 /nfs/dbraw/zinc/75/92/17/403759217.db2.gz XAMDZJBTZWQTDB-IOASZLSFSA-N 0 0 305.349 2.152 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000288698977 403762508 /nfs/dbraw/zinc/76/25/08/403762508.db2.gz RNRQPDAQXAUVAF-LJQANCHMSA-N 0 0 308.425 2.035 10 30 DEEERN C#CCO[C@@H](C)C(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000295108000 403762591 /nfs/dbraw/zinc/76/25/91/403762591.db2.gz UYHYXHYYZKOXCG-LBPRGKRZSA-N 0 0 323.339 2.125 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@H](SC)C(C)(C)C ZINC000343944682 403803050 /nfs/dbraw/zinc/80/30/50/403803050.db2.gz RDSFAWQZAKZEOA-LBPRGKRZSA-N 0 0 300.468 2.305 10 30 DEEERN C#CCC(CC#C)C(=O)N(CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000289158706 403854169 /nfs/dbraw/zinc/85/41/69/403854169.db2.gz PVUMLPDXYHSTOM-UHFFFAOYSA-N 0 0 324.424 2.400 10 30 DEEERN COc1cc(CC#N)cc(OC)c1I ZINC000307493717 403954097 /nfs/dbraw/zinc/95/40/97/403954097.db2.gz LDRZOXWIOOPEMN-UHFFFAOYSA-N 0 0 303.099 2.374 10 30 DEEERN C=CCOCCCC(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000289762204 403996494 /nfs/dbraw/zinc/99/64/94/403996494.db2.gz PKUZPFRPFQPJRR-UHFFFAOYSA-N 0 0 303.358 2.369 10 30 DEEERN C=CCOCC(=O)NCc1cc(F)cc(Br)c1 ZINC000354732550 403974014 /nfs/dbraw/zinc/97/40/14/403974014.db2.gz NTLFLBOLLCHFDU-UHFFFAOYSA-N 0 0 302.143 2.407 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(Cc3noc(C(C)C)n3)C2)n1 ZINC000328617193 404114968 /nfs/dbraw/zinc/11/49/68/404114968.db2.gz CKXRWBYQWVYTCF-LBPRGKRZSA-N 0 0 318.381 2.444 10 30 DEEERN COC[C@@H]1CCCN(C(=O)NC[C@H]2CCCn3cc(C)nc32)C1 ZINC000328655137 404124724 /nfs/dbraw/zinc/12/47/24/404124724.db2.gz MNCKJIRAZNXONB-HUUCEWRRSA-N 0 0 320.437 2.341 10 30 DEEERN Cc1ocnc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328641825 404122825 /nfs/dbraw/zinc/12/28/25/404122825.db2.gz YAXUTFNSPGFLNB-ZFWWWQNUSA-N 0 0 300.362 2.376 10 30 DEEERN CCOc1ccncc1S(=O)(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000296217727 404148126 /nfs/dbraw/zinc/14/81/26/404148126.db2.gz MQFMXCBSYFGFTB-CQSZACIVSA-N 0 0 323.418 2.183 10 30 DEEERN CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328859412 404163229 /nfs/dbraw/zinc/16/32/29/404163229.db2.gz YPIOJFQZSKGGRA-YRGRVCCFSA-N 0 0 312.435 2.212 10 30 DEEERN CC1(C)CCCN1C(=O)Nc1nc(CN2CCOCC2)cs1 ZINC000328942193 404179160 /nfs/dbraw/zinc/17/91/60/404179160.db2.gz TYWMJEBUMOKQEB-UHFFFAOYSA-N 0 0 324.450 2.395 10 30 DEEERN C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1 ZINC000328995294 404193859 /nfs/dbraw/zinc/19/38/59/404193859.db2.gz FGNROVGIFYSLNC-RTWAVKEYSA-N 0 0 304.394 2.085 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000344582401 404238683 /nfs/dbraw/zinc/23/86/83/404238683.db2.gz MGCAGOPGEQHDRB-SNVBAGLBSA-N 0 0 317.345 2.013 10 30 DEEERN Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H]2CCO[C@H]2C(C)C)no1 ZINC000329153576 404246988 /nfs/dbraw/zinc/24/69/88/404246988.db2.gz AFKQQRDKCGRVEA-IHRRRGAJSA-N 0 0 322.409 2.490 10 30 DEEERN C=C(C)C[NH+]1CCC(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000352269322 404256230 /nfs/dbraw/zinc/25/62/30/404256230.db2.gz MTQOYCFYOQAPNU-UHFFFAOYSA-N 0 0 319.361 2.071 10 30 DEEERN C[C@@H]1CN(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)CCO1 ZINC000329238352 404274798 /nfs/dbraw/zinc/27/47/98/404274798.db2.gz PPDMFPXAGXVBNR-OLZOCXBDSA-N 0 0 320.437 2.130 10 30 DEEERN CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CCC[C@@H]2Cn2ccnc2)C1(C)C ZINC000329258739 404281115 /nfs/dbraw/zinc/28/11/15/404281115.db2.gz FHVAUYFCOUAHHX-APIJFGDWSA-N 0 0 320.437 2.321 10 30 DEEERN C=C(CNC(=O)Nc1cc(CCOC)nn1C)c1ccccc1 ZINC000350160778 404336994 /nfs/dbraw/zinc/33/69/94/404336994.db2.gz SJHXSPARLRDVAX-UHFFFAOYSA-N 0 0 314.389 2.444 10 30 DEEERN C[C@@H](C1CCCCC1)N(C)C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329513693 404361359 /nfs/dbraw/zinc/36/13/59/404361359.db2.gz YAPRNTYWHDTUKR-AEGPPILISA-N 0 0 321.425 2.033 10 30 DEEERN C[C@H]1COCCN1C(=O)Nc1csc(-c2ccccn2)n1 ZINC000329469510 404346874 /nfs/dbraw/zinc/34/68/74/404346874.db2.gz XNEPCVMKNXNDCX-JTQLQIEISA-N 0 0 304.375 2.471 10 30 DEEERN CCC[C@]1(NC(=O)[C@H]2CSCN2C(=O)CC)CCOC1 ZINC000329366435 404316597 /nfs/dbraw/zinc/31/65/97/404316597.db2.gz IMWHEXWJQLWEFA-RISCZKNCSA-N 0 0 300.424 2.214 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000412603770 404369883 /nfs/dbraw/zinc/36/98/83/404369883.db2.gz QXYWOSYEOQUJME-IMJJTQAJSA-N 0 0 300.402 2.316 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N1CCO[C@H](C2CC2)C1 ZINC000364514788 404429406 /nfs/dbraw/zinc/42/94/06/404429406.db2.gz ZBLWGLBEFCYTCZ-INIZCTEOSA-N 0 0 318.348 2.480 10 30 DEEERN CC(C)(C)C(=O)NCc1nc([C@@H]2CN3CCC[C@]3(C)CO2)no1 ZINC000329615125 404394659 /nfs/dbraw/zinc/39/46/59/404394659.db2.gz SDNALAKYOAYCGO-MEDUHNTESA-N 0 0 322.409 2.498 10 30 DEEERN O=C(CN1CCO[C@@H](C2CCCCC2)C1)NC(=O)NC1CC1 ZINC000329651312 404409811 /nfs/dbraw/zinc/40/98/11/404409811.db2.gz CTBYKFZAMPPQJW-CQSZACIVSA-N 0 0 309.410 2.300 10 30 DEEERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@]12CCOC2 ZINC000329659857 404413219 /nfs/dbraw/zinc/41/32/19/404413219.db2.gz NWXUHVADQSOOFQ-MPGHIAIKSA-N 0 0 316.401 2.069 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N(CC)Cc1cn(C)nn1 ZINC000350730748 404452553 /nfs/dbraw/zinc/45/25/53/404452553.db2.gz VIYCRILMYFULHX-GFCCVEGCSA-N 0 0 303.414 2.133 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1CCC(=O)[C@@H](C)C1 ZINC000356336073 404456471 /nfs/dbraw/zinc/45/64/71/404456471.db2.gz ASTRCLLSNGKJKM-LBPRGKRZSA-N 0 0 303.358 2.311 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(c2cc(OC)c(OC)cc2C)C1=O ZINC000414357706 404590397 /nfs/dbraw/zinc/59/03/97/404590397.db2.gz JZJDLXRXJOCMHR-NSHDSACASA-N 0 0 304.346 2.403 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000330223783 404591042 /nfs/dbraw/zinc/59/10/42/404591042.db2.gz SLKTWBPDDDJIPD-KYEXWDHISA-N 0 0 307.394 2.005 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@H](C)Cn2ccnc2C)cc1 ZINC000297851623 404642177 /nfs/dbraw/zinc/64/21/77/404642177.db2.gz ZPXQRFCIJSKIIJ-AWEZNQCLSA-N 0 0 310.401 2.308 10 30 DEEERN C=CCCCNC(=O)C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000342479740 404605518 /nfs/dbraw/zinc/60/55/18/404605518.db2.gz LIZVKVXENXLSHY-UHFFFAOYSA-N 0 0 308.422 2.019 10 30 DEEERN C[C@H]1OCC[C@]12CN(C(=O)c1sccc1C#N)C[C@@H](C)O2 ZINC000365560937 404691133 /nfs/dbraw/zinc/69/11/33/404691133.db2.gz AAOCXEXHTRPFLF-HFAKWTLXSA-N 0 0 306.387 2.028 10 30 DEEERN C=C(Cl)CNC(=O)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000374014298 404669713 /nfs/dbraw/zinc/66/97/13/404669713.db2.gz MZRUVOGVEHUHQW-MBNYWOFBSA-N 0 0 302.802 2.107 10 30 DEEERN C=CCn1c([C@@H](C)CC)nnc1N(C[C@@H]1CCC(=O)N1)C(C)C ZINC000414536267 404670464 /nfs/dbraw/zinc/67/04/64/404670464.db2.gz ZGTAGSRFIKTVKP-KBPBESRZSA-N 0 0 319.453 2.471 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000375721175 404734198 /nfs/dbraw/zinc/73/41/98/404734198.db2.gz USLQIZGRGBOYSC-YIDVYQOGSA-N 0 0 305.418 2.432 10 30 DEEERN CC1(C#N)CCN(C(=O)[C@H](O)Cc2ccccc2Cl)CC1 ZINC000358152778 404754921 /nfs/dbraw/zinc/75/49/21/404754921.db2.gz PFEOPONLSAJEQR-CQSZACIVSA-N 0 0 306.793 2.396 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@H](CC)c1c(C)nn(C)c1C ZINC000358914137 404779101 /nfs/dbraw/zinc/77/91/01/404779101.db2.gz HXHGEMRCXDINBT-CQSZACIVSA-N 0 0 308.426 2.332 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@H](COC)c1ccc(F)cc1 ZINC000358914829 404779238 /nfs/dbraw/zinc/77/92/38/404779238.db2.gz LFAIFEDTWCLTJL-OAHLLOKOSA-N 0 0 310.369 2.357 10 30 DEEERN C=CCN(CCOC)C(=O)c1ncsc1Br ZINC000359091148 404783286 /nfs/dbraw/zinc/78/32/86/404783286.db2.gz GLPPJSSFTUCETH-UHFFFAOYSA-N 0 0 305.197 2.180 10 30 DEEERN C=C(C)Cn1c(CC(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC000359253217 404788040 /nfs/dbraw/zinc/78/80/40/404788040.db2.gz NCUHUHVEUQIQTA-AWEZNQCLSA-N 0 0 319.453 2.110 10 30 DEEERN C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000359257102 404788212 /nfs/dbraw/zinc/78/82/12/404788212.db2.gz UZKFTUUFWMQMLM-RDBSUJKOSA-N 0 0 319.453 2.458 10 30 DEEERN C=CCN(CCC#N)C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000359394006 404791951 /nfs/dbraw/zinc/79/19/51/404791951.db2.gz RWKXETJVRNERDD-CABCVRRESA-N 0 0 312.369 2.490 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)c1noc(CC)n1 ZINC000359405035 404792673 /nfs/dbraw/zinc/79/26/73/404792673.db2.gz KZMGWYACTHYHBV-UHFFFAOYSA-N 0 0 301.346 2.469 10 30 DEEERN C=CCN(CCC#N)C(=O)c1cc[nH]c(=O)c1Br ZINC000359448696 404793590 /nfs/dbraw/zinc/79/35/90/404793590.db2.gz YPARUEWUQCGESH-UHFFFAOYSA-N 0 0 310.151 2.092 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)c1noc(COC(C)C)n1 ZINC000359579244 404797086 /nfs/dbraw/zinc/79/70/86/404797086.db2.gz JKYCRSQFYRIJQL-OBJOEFQTSA-N 0 0 323.393 2.153 10 30 DEEERN Cc1cc(C)cc(CCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 ZINC000366475296 404798238 /nfs/dbraw/zinc/79/82/38/404798238.db2.gz SJIQLKUADPBAGU-GOSISDBHSA-N 0 0 311.429 2.435 10 30 DEEERN COc1ccc(C#N)cc1CN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000366587739 404819738 /nfs/dbraw/zinc/81/97/38/404819738.db2.gz ZJXUBHDKDNSFRQ-GOSISDBHSA-N 0 0 316.401 2.337 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000366690195 404832918 /nfs/dbraw/zinc/83/29/18/404832918.db2.gz ZIQMVXYGUBLMIZ-CYBMUJFWSA-N 0 0 309.387 2.458 10 30 DEEERN C=C(CNC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000353505524 404851660 /nfs/dbraw/zinc/85/16/60/404851660.db2.gz HDELLYYAFKYHBG-CABCVRRESA-N 0 0 301.390 2.043 10 30 DEEERN C=CCSCCNC(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000353552845 404863689 /nfs/dbraw/zinc/86/36/89/404863689.db2.gz TVYJXVGEKNUQJQ-UHFFFAOYSA-N 0 0 304.415 2.228 10 30 DEEERN CN1CN(Cc2cccc(OCc3ccccc3C#N)c2)CC1=O ZINC000360975619 404867492 /nfs/dbraw/zinc/86/74/92/404867492.db2.gz VEJKIIRFIAEACK-UHFFFAOYSA-N 0 0 321.380 2.369 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](C)[C@H](C)C3)cc2C1=O ZINC000435935573 405028507 /nfs/dbraw/zinc/02/85/07/405028507.db2.gz CJOILDCETHLGNE-TXEJJXNPSA-N 0 0 312.369 2.197 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N[C@@H](CCO)c1ccc(Cl)cc1 ZINC000451768357 405030604 /nfs/dbraw/zinc/03/06/04/405030604.db2.gz IISXJHSBRBRKEU-AWEZNQCLSA-N 0 0 317.776 2.404 10 30 DEEERN CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc(C#N)n1C ZINC000451396536 404979439 /nfs/dbraw/zinc/97/94/39/404979439.db2.gz SUYQKTSWHPJRGL-AWEZNQCLSA-N 0 0 311.389 2.481 10 30 DEEERN C=CCC1(C(=O)NCCCN2CCCCCC2=O)CCOCC1 ZINC000424558646 405115715 /nfs/dbraw/zinc/11/57/15/405115715.db2.gz KBUDNIREVWFUOZ-UHFFFAOYSA-N 0 0 322.449 2.268 10 30 DEEERN CC#CCCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000361529814 405116973 /nfs/dbraw/zinc/11/69/73/405116973.db2.gz GVFWKXPVDRWXEF-JKSUJKDBSA-N 0 0 321.371 2.423 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)CCOCC1 ZINC000424641198 405135574 /nfs/dbraw/zinc/13/55/74/405135574.db2.gz NPKSXGRYSMWDQW-AWEZNQCLSA-N 0 0 303.406 2.489 10 30 DEEERN C[C@H]1C[C@@H](C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC(=O)N1 ZINC000408200747 405136467 /nfs/dbraw/zinc/13/64/67/405136467.db2.gz DYZYLUFQWBFYEH-SUMWQHHRSA-N 0 0 323.396 2.089 10 30 DEEERN C#CCCCS(=O)(=O)N1CCCCC[C@H]1c1noc(C)n1 ZINC000367778777 405151084 /nfs/dbraw/zinc/15/10/84/405151084.db2.gz WXJUIFSJAUXVKD-ZDUSSCGKSA-N 0 0 311.407 2.038 10 30 DEEERN C=CCC1(C(=O)NCCNc2cccc(C)n2)CCOCC1 ZINC000424699550 405153257 /nfs/dbraw/zinc/15/32/57/405153257.db2.gz VTATZIWLAKONRK-UHFFFAOYSA-N 0 0 303.406 2.291 10 30 DEEERN Cc1ncc(S(=O)(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)cc1C#N ZINC000408363360 405185703 /nfs/dbraw/zinc/18/57/03/405185703.db2.gz WHPSXWJWVUNZQS-MLGOLLRUSA-N 0 0 319.430 2.463 10 30 DEEERN C=CCC1(C(=O)NCc2ncnn2C(C)(C)C)CCOCC1 ZINC000424833788 405191897 /nfs/dbraw/zinc/19/18/97/405191897.db2.gz VSHGNXQKUKNNBY-UHFFFAOYSA-N 0 0 306.410 2.022 10 30 DEEERN C=C(C)C(C)(C)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000424856087 405198025 /nfs/dbraw/zinc/19/80/25/405198025.db2.gz VFOZYAABYLJUQU-LBPRGKRZSA-N 0 0 307.415 2.276 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCc1nc(C(C)(C)C)no1 ZINC000437464701 405201319 /nfs/dbraw/zinc/20/13/19/405201319.db2.gz CSGAWJOJFKEOJM-SWLSCSKDSA-N 0 0 321.421 2.397 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1noc(-c2cccc(F)c2)n1 ZINC000367948256 405201614 /nfs/dbraw/zinc/20/16/14/405201614.db2.gz RIMGMIPMUXCREV-UHFFFAOYSA-N 0 0 311.316 2.155 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)OCCc1ccccc1 ZINC000424924851 405213976 /nfs/dbraw/zinc/21/39/76/405213976.db2.gz NBMXQUVGYBUCAH-XIRDDKMYSA-N 0 0 303.402 2.342 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccnc(OCC(F)F)c1 ZINC000424930403 405214736 /nfs/dbraw/zinc/21/47/36/405214736.db2.gz FPTBCIGZIJDHHS-RYUDHWBXSA-N 0 0 312.316 2.046 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC[C@@H](CO)[C@H]2CC)cc1OC ZINC000452944686 405263620 /nfs/dbraw/zinc/26/36/20/405263620.db2.gz VHSYDMOHTGYGPS-LSDHHAIUSA-N 0 0 319.401 2.493 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc3cc[nH]c3c2)C1=O ZINC000439401274 405276871 /nfs/dbraw/zinc/27/68/71/405276871.db2.gz CVCDNVJUMSAWIQ-OAHLLOKOSA-N 0 0 312.373 2.419 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000425036331 405234355 /nfs/dbraw/zinc/23/43/55/405234355.db2.gz IXPBMUFSTMPDMX-MRRJBJDNSA-N 0 0 311.422 2.282 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000438149135 405234671 /nfs/dbraw/zinc/23/46/71/405234671.db2.gz GIIZPZWROIMHTP-KDOFPFPSSA-N 0 0 316.401 2.457 10 30 DEEERN C=CCCN(C)C(=O)C(=O)Nc1ccc(Cl)cc1COC ZINC000425759956 405318061 /nfs/dbraw/zinc/31/80/61/405318061.db2.gz VMIJUHFSBVTOTI-UHFFFAOYSA-N 0 0 310.781 2.459 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@](C)(CCC)C1 ZINC000425911036 405328812 /nfs/dbraw/zinc/32/88/12/405328812.db2.gz ZWYUJBPOAWULFH-MPGHIAIKSA-N 0 0 322.449 2.123 10 30 DEEERN Cn1cnc([N+](=O)[O-])c1-c1noc(/C=C\c2cccc(C#N)c2)n1 ZINC000445585506 405353062 /nfs/dbraw/zinc/35/30/62/405353062.db2.gz WQWWIFCURLYHCK-WAYWQWQTSA-N 0 0 322.284 2.420 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CCOCC1 ZINC000425544064 405300407 /nfs/dbraw/zinc/30/04/07/405300407.db2.gz DAZWXNJUCXSCLF-HOTGVXAUSA-N 0 0 306.450 2.302 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CCOc1ccccc1F ZINC000425573346 405304407 /nfs/dbraw/zinc/30/44/07/405304407.db2.gz KGVUCVDWQBFQTA-ZFWWWQNUSA-N 0 0 322.380 2.437 10 30 DEEERN CC(C)C(=O)Nc1ccc(CNC(=O)c2ccc(C#N)n2C)cc1 ZINC000448627257 405429787 /nfs/dbraw/zinc/42/97/87/405429787.db2.gz HRXAUOFXQWKHRH-UHFFFAOYSA-N 0 0 324.384 2.421 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NCCCN1CCc2ccccc21 ZINC000448649838 405431898 /nfs/dbraw/zinc/43/18/98/405431898.db2.gz KBUUXXUTZYBRHI-UHFFFAOYSA-N 0 0 308.385 2.079 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000448801780 405449900 /nfs/dbraw/zinc/44/99/00/405449900.db2.gz XJXSMBGASWQRJY-CABCVRRESA-N 0 0 319.401 2.344 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CCCC[C@@H]2CC(N)=O)cc1 ZINC000448831162 405453365 /nfs/dbraw/zinc/45/33/65/405453365.db2.gz OSFNEDKXASWSRK-OAHLLOKOSA-N 0 0 316.401 2.050 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000448879986 405458877 /nfs/dbraw/zinc/45/88/77/405458877.db2.gz BLNMTYLWLYHLAH-MRXNPFEDSA-N 0 0 313.332 2.250 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000633159215 405474295 /nfs/dbraw/zinc/47/42/95/405474295.db2.gz AVTQWTJOSSCRIJ-ZDUSSCGKSA-N 0 0 316.467 2.245 10 30 DEEERN C=CCn1c(N2CC[C@H](C)[C@@H](OC)C2)nnc1[C@]1(C)CCCO1 ZINC000556444509 405481438 /nfs/dbraw/zinc/48/14/38/405481438.db2.gz AANYSGHPLMTHKJ-ZQIUZPCESA-N 0 0 320.437 2.351 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000458614717 405504261 /nfs/dbraw/zinc/50/42/61/405504261.db2.gz QORPTIVRTRMEBE-GVDBMIGSSA-N 0 0 318.417 2.391 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000633254316 405532245 /nfs/dbraw/zinc/53/22/45/405532245.db2.gz JMOIPOKMAVPGNX-ZDUSSCGKSA-N 0 0 316.467 2.103 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000633411843 405629113 /nfs/dbraw/zinc/62/91/13/405629113.db2.gz YUKGRIOVIKKKQP-ZIAGYGMSSA-N 0 0 314.470 2.436 10 30 DEEERN CCO[C@@H]1CCC[C@H]1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000456992453 405646637 /nfs/dbraw/zinc/64/66/37/405646637.db2.gz YMPGCFYANKFZLV-XNJGSVPQSA-N 0 0 324.421 2.322 10 30 DEEERN C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](OC(F)F)C1 ZINC000558454881 405661568 /nfs/dbraw/zinc/66/15/68/405661568.db2.gz PSHRIUSCZNZUCT-JTQLQIEISA-N 0 0 309.320 2.277 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)n1ccc(C(F)(F)F)n1 ZINC000633487462 405671699 /nfs/dbraw/zinc/67/16/99/405671699.db2.gz XEZTWTWCEOAJCG-DCAQKATOSA-N 0 0 317.311 2.170 10 30 DEEERN COc1ccc(CCNc2ccncc2C#N)c(OC)c1OC ZINC000558751173 405698821 /nfs/dbraw/zinc/69/88/21/405698821.db2.gz JZAMMTMRNKXHKU-UHFFFAOYSA-N 0 0 313.357 2.056 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](n1ccnc1)C(F)(F)F ZINC000636055909 405709042 /nfs/dbraw/zinc/70/90/42/405709042.db2.gz DUGPEPHULWIPRO-SDDRHHMPSA-N 0 0 317.311 2.084 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCc2c(F)ccc(F)c2C1 ZINC000450080039 405732110 /nfs/dbraw/zinc/73/21/10/405732110.db2.gz ZTBQQODHUFAXIG-UHFFFAOYSA-N 0 0 301.296 2.373 10 30 DEEERN C[C@H](O)C[C@H](CNC(=O)c1ccc(C#N)n1C)c1ccccc1 ZINC000450118626 405745254 /nfs/dbraw/zinc/74/52/54/405745254.db2.gz WCTSWESTGKCKNN-DZGCQCFKSA-N 0 0 311.385 2.181 10 30 DEEERN C=CCOC[C@H]1NC(=O)N(CC(C2CCC2)C2CCC2)C1=O ZINC000530196996 405775645 /nfs/dbraw/zinc/77/56/45/405775645.db2.gz QPGFDFPTWONMRD-OAHLLOKOSA-N 0 0 306.406 2.326 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@H](n3ccnn3)CC2)CCOCC1 ZINC000636193070 405804805 /nfs/dbraw/zinc/80/48/05/405804805.db2.gz OXICMSQMHTYAOC-HNNXBMFYSA-N 0 0 318.421 2.205 10 30 DEEERN C=C1CC(C)(C(=O)Nc2ccc([C@H]3CC(=O)NC(=O)N3)cc2)C1 ZINC000633648783 405766807 /nfs/dbraw/zinc/76/68/07/405766807.db2.gz LZLKKUDQTNCDEL-CYBMUJFWSA-N 0 0 313.357 2.252 10 30 DEEERN C=CCC1(C(=O)NCc2nc(C)c(C(N)=O)s2)CCCC1 ZINC000636144861 405772780 /nfs/dbraw/zinc/77/27/80/405772780.db2.gz ROUWICLDAQIMAE-UHFFFAOYSA-N 0 0 307.419 2.303 10 30 DEEERN C=CCN(C(=O)C1CC(C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000457458758 405848599 /nfs/dbraw/zinc/84/85/99/405848599.db2.gz PAROVMCZUFKCTK-JXQTWKCFSA-N 0 0 313.463 2.260 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)NCc1ccccc1OCCO ZINC000495235337 405850303 /nfs/dbraw/zinc/85/03/03/405850303.db2.gz ZKIOFTUPPPKPEN-HNNXBMFYSA-N 0 0 304.390 2.308 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)ccc1C ZINC000633963447 405933439 /nfs/dbraw/zinc/93/34/39/405933439.db2.gz KZKLXZNKYPEAFS-UHFFFAOYSA-N 0 0 324.446 2.365 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc2cccnc2c1 ZINC000633977041 405939101 /nfs/dbraw/zinc/93/91/01/405939101.db2.gz HWLJGBAAZJQCQB-QGZVFWFLSA-N 0 0 311.385 2.322 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc2cccnc2c1 ZINC000633977040 405939333 /nfs/dbraw/zinc/93/93/33/405939333.db2.gz HWLJGBAAZJQCQB-KRWDZBQOSA-N 0 0 311.385 2.322 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCOc2ccc(Cl)cn2)C1=O ZINC000630979986 405950098 /nfs/dbraw/zinc/95/00/98/405950098.db2.gz XTSLHYKDAOYQGP-LLVKDONJSA-N 0 0 309.753 2.000 10 30 DEEERN CCOC(=O)[C@@H]1CN(c2cc(Cl)ccc2C#N)CC12COC2 ZINC000450557973 405954307 /nfs/dbraw/zinc/95/43/07/405954307.db2.gz CBPGNBDRQBOSJX-ZDUSSCGKSA-N 0 0 320.776 2.228 10 30 DEEERN C=CCC1(C(=O)NCc2nnc(C3CCOCC3)[nH]2)CCCC1 ZINC000634009326 405956827 /nfs/dbraw/zinc/95/68/27/405956827.db2.gz ZNVQRPOJAFFFLU-UHFFFAOYSA-N 0 0 318.421 2.451 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCc1ccc(OC)cc1 ZINC000636444824 405961495 /nfs/dbraw/zinc/96/14/95/405961495.db2.gz QGNBRJQYLMEVPH-UHFFFAOYSA-N 0 0 318.417 2.072 10 30 DEEERN C[C@@H]1CCN(C(=O)Cc2cccc(C#N)c2)C[C@H]1n1ccnc1 ZINC000531581198 405981566 /nfs/dbraw/zinc/98/15/66/405981566.db2.gz UPVJWXMSFLHAOG-RHSMWYFYSA-N 0 0 308.385 2.407 10 30 DEEERN C=CCOc1ccc(CN2CCC[C@@](O)(CO)C2)cc1Cl ZINC000459696078 406008544 /nfs/dbraw/zinc/00/85/44/406008544.db2.gz DHYNSFIMVMIJFF-INIZCTEOSA-N 0 0 311.809 2.224 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@](C)(CO)Cc1ccc(F)cc1 ZINC000634294114 406086548 /nfs/dbraw/zinc/08/65/48/406086548.db2.gz TWUCQESHABKHAW-GUYCJALGSA-N 0 0 309.381 2.217 10 30 DEEERN C=C(C)Cn1c(-c2scnc2C)nnc1N(C)CCOC ZINC000566914539 406092015 /nfs/dbraw/zinc/09/20/15/406092015.db2.gz WICDXBHVOLQZMM-UHFFFAOYSA-N 0 0 307.423 2.369 10 30 DEEERN CC#CCCNC(=O)[C@@H](C)Cc1c(C)nn(COCC)c1C ZINC000632331378 406094294 /nfs/dbraw/zinc/09/42/94/406094294.db2.gz LDQRKTDOKWSXMF-ZDUSSCGKSA-N 0 0 305.422 2.202 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@]2(CCOC2)C1 ZINC000562870449 406056484 /nfs/dbraw/zinc/05/64/84/406056484.db2.gz ANHVLNSYRAKZEH-HLLBOEOZSA-N 0 0 308.422 2.180 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000636704054 406058738 /nfs/dbraw/zinc/05/87/38/406058738.db2.gz KRHUKNIBYXJYCY-ZDUSSCGKSA-N 0 0 320.437 2.360 10 30 DEEERN C=CC[C@@H]1CCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000639349509 406060207 /nfs/dbraw/zinc/06/02/07/406060207.db2.gz ZAZSJLJETOYFDU-LLVKDONJSA-N 0 0 314.838 2.385 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCCc1ccc(F)c(F)c1 ZINC000563898857 406062667 /nfs/dbraw/zinc/06/26/67/406062667.db2.gz SHADQXWBGAKDCA-UHFFFAOYSA-N 0 0 324.371 2.486 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000636767865 406076678 /nfs/dbraw/zinc/07/66/78/406076678.db2.gz WQHGVJWLTNCRDU-LLVKDONJSA-N 0 0 302.365 2.257 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)C[C@@H]1CCOC1 ZINC000636769809 406076718 /nfs/dbraw/zinc/07/67/18/406076718.db2.gz DMPVCLQIIFPNQT-KGLIPLIRSA-N 0 0 310.438 2.026 10 30 DEEERN C=C[C@@H]1CCCCN1S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632285373 406078944 /nfs/dbraw/zinc/07/89/44/406078944.db2.gz OZQOUMMHPCVORP-SECBINFHSA-N 0 0 323.340 2.168 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000637042803 406159843 /nfs/dbraw/zinc/15/98/43/406159843.db2.gz RCBZJPUDUYMEOJ-LSDHHAIUSA-N 0 0 322.449 2.169 10 30 DEEERN C=CCn1c(Cc2cc(C)[nH]n2)nnc1N1CC[C@@H](C)[C@@H](F)C1 ZINC000634337087 406105292 /nfs/dbraw/zinc/10/52/92/406105292.db2.gz DFBKSUKKPKPCGF-RISCZKNCSA-N 0 0 318.400 2.271 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC000516775624 406105534 /nfs/dbraw/zinc/10/55/34/406105534.db2.gz WSHAEKCXSODWRZ-LLVKDONJSA-N 0 0 301.312 2.331 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(C)(F)CC1 ZINC000634373513 406118793 /nfs/dbraw/zinc/11/87/93/406118793.db2.gz FYWOTFKTVGGOIQ-CYBMUJFWSA-N 0 0 324.400 2.271 10 30 DEEERN C=CCn1c(C)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC000517590848 406126813 /nfs/dbraw/zinc/12/68/13/406126813.db2.gz RDWGRNDGVYSGJD-UHFFFAOYSA-N 0 0 317.437 2.001 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000636946423 406130311 /nfs/dbraw/zinc/13/03/11/406130311.db2.gz NONKGEZXXMTWFJ-HUUCEWRRSA-N 0 0 308.422 2.322 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)Cc1ccc(O)cc1 ZINC000632432384 406135866 /nfs/dbraw/zinc/13/58/66/406135866.db2.gz NIKHRSWWYRIHDO-UHFFFAOYSA-N 0 0 318.417 2.459 10 30 DEEERN N#Cc1ccc(C[C@@H](C#N)C(=O)NCCc2ccccc2O)cc1 ZINC000472334286 406138715 /nfs/dbraw/zinc/13/87/15/406138715.db2.gz ALOMUHCCDUMLJA-KRWDZBQOSA-N 0 0 319.364 2.305 10 30 DEEERN C=CCCOCCNC(=O)NCc1ccc(C(C)(C)C)[nH]c1=O ZINC000636984154 406141453 /nfs/dbraw/zinc/14/14/53/406141453.db2.gz YHYQFMLPCCWFRT-UHFFFAOYSA-N 0 0 321.421 2.477 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000632543311 406177066 /nfs/dbraw/zinc/17/70/66/406177066.db2.gz XTRRAHTUKTZFGT-CABCVRRESA-N 0 0 324.465 2.105 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000632563589 406183272 /nfs/dbraw/zinc/18/32/72/406183272.db2.gz XAOKKBYYOFMMNC-LSDHHAIUSA-N 0 0 323.481 2.036 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@@H](C)c2noc(COCC)n2)C1 ZINC000637158141 406194760 /nfs/dbraw/zinc/19/47/60/406194760.db2.gz LONRHULHOYOZFW-RYUDHWBXSA-N 0 0 308.382 2.275 10 30 DEEERN C=C(C)CCNC(=O)NCC1(OCCO)CCC(F)(F)CC1 ZINC000637188998 406205914 /nfs/dbraw/zinc/20/59/14/406205914.db2.gz BWAIHKDQHQPZOZ-UHFFFAOYSA-N 0 0 320.380 2.209 10 30 DEEERN C=CCCCCCNC(=O)N1CCC[C@H](S(C)(=O)=O)CC1 ZINC000568188030 406206532 /nfs/dbraw/zinc/20/65/32/406206532.db2.gz VOXBJQKYFMYVCP-AWEZNQCLSA-N 0 0 316.467 2.342 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@]1(O)CCCC(C)(C)CC1 ZINC000637191878 406206799 /nfs/dbraw/zinc/20/67/99/406206799.db2.gz OVUGULRVCYEVFL-KEYYUXOJSA-N 0 0 310.438 2.351 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[C@@H](COC)CC1 ZINC000632640664 406209340 /nfs/dbraw/zinc/20/93/40/406209340.db2.gz XUVQESAOEONCPL-OAHLLOKOSA-N 0 0 324.465 2.370 10 30 DEEERN C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000487339073 406225317 /nfs/dbraw/zinc/22/53/17/406225317.db2.gz UGXVUIVNHMZVIT-SECBINFHSA-N 0 0 302.377 2.386 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)NC1CN(c2ccncn2)C1 ZINC000637262268 406233794 /nfs/dbraw/zinc/23/37/94/406233794.db2.gz ABIZKTIDIHRKKL-DZGCQCFKSA-N 0 0 315.421 2.099 10 30 DEEERN CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)Cc1cccc(C#N)c1 ZINC000569396389 406248209 /nfs/dbraw/zinc/24/82/09/406248209.db2.gz SCHWFAIPUHSRCD-OAHLLOKOSA-N 0 0 314.385 2.433 10 30 DEEERN C=C(C)[C@H](CC(=O)NCc1ccc(C(=O)OC)cc1)OCC ZINC000535905392 406244714 /nfs/dbraw/zinc/24/47/14/406244714.db2.gz KQNXQXBLLSQJBF-HNNXBMFYSA-N 0 0 305.374 2.461 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCc1nnc(C(F)F)o1 ZINC000632841020 406285640 /nfs/dbraw/zinc/28/56/40/406285640.db2.gz QPHBLRWJFORPOW-CABZTGNLSA-N 0 0 315.320 2.037 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000633027123 406357337 /nfs/dbraw/zinc/35/73/37/406357337.db2.gz KIYJLAFHNSDEOY-XJKCOSOUSA-N 0 0 307.390 2.490 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC000637411200 406299144 /nfs/dbraw/zinc/29/91/44/406299144.db2.gz OQYNFBUUTQKDGN-STQMWFEESA-N 0 0 322.405 2.391 10 30 DEEERN C=CCn1c([C@H]2CCCS2)nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC000635029491 406406499 /nfs/dbraw/zinc/40/64/99/406406499.db2.gz JVDKOPGUUNGJER-FRRDWIJNSA-N 0 0 306.435 2.115 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc2c(c1)COC2 ZINC000570627303 406417585 /nfs/dbraw/zinc/41/75/85/406417585.db2.gz QLLLKOWVNLDQQU-BBRMVZONSA-N 0 0 302.374 2.107 10 30 DEEERN C=CCC[C@@H](NC(=O)c1cnn2c1C[C@@H](C)CC2)C(=O)OCC ZINC000570635180 406419872 /nfs/dbraw/zinc/41/98/72/406419872.db2.gz YSWPEPNFAQTOIF-GXTWGEPZSA-N 0 0 319.405 2.093 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000570674213 406424583 /nfs/dbraw/zinc/42/45/83/406424583.db2.gz HTBXQPABGOZAGW-JONQDZQNSA-N 0 0 308.422 2.178 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@H](CCO)C1CCOCC1 ZINC000637621202 406368090 /nfs/dbraw/zinc/36/80/90/406368090.db2.gz MZEQPRLLJATUSG-OAHLLOKOSA-N 0 0 312.454 2.456 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](O)C1CCOCC1 ZINC000571052709 406472339 /nfs/dbraw/zinc/47/23/39/406472339.db2.gz FCDRBINBZWWSPG-IAGOWNOFSA-N 0 0 303.402 2.078 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)C[C@@H]1CCCS1(=O)=O ZINC000635263960 406479665 /nfs/dbraw/zinc/47/96/65/406479665.db2.gz WTWACKLGPJYDNZ-HNNXBMFYSA-N 0 0 307.415 2.169 10 30 DEEERN C=CCN(CCC#N)S(=O)(=O)c1cccc2ncccc21 ZINC000490095889 406451710 /nfs/dbraw/zinc/45/17/10/406451710.db2.gz PZGAVTYERBPDJS-UHFFFAOYSA-N 0 0 301.371 2.325 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cnn2c1CCCC2 ZINC000635206435 406460544 /nfs/dbraw/zinc/46/05/44/406460544.db2.gz FGPYQTZKNLZUAC-UHFFFAOYSA-N 0 0 304.394 2.021 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(OC)cc1F ZINC000635216034 406462330 /nfs/dbraw/zinc/46/23/30/406462330.db2.gz RQPWWNVYIYMWRN-UHFFFAOYSA-N 0 0 308.353 2.491 10 30 DEEERN N#Cc1cnccc1NCc1cccc(CN2CCCC2=O)c1 ZINC000548480310 406521139 /nfs/dbraw/zinc/52/11/39/406521139.db2.gz BVNCLGIDTKZAAS-UHFFFAOYSA-N 0 0 306.369 2.110 10 30 DEEERN C=C(C)Cn1c(N2C[C@@H](C)O[C@@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000573321749 406772108 /nfs/dbraw/zinc/77/21/08/406772108.db2.gz AYCSMYJTZCFXFW-VBQJREDUSA-N 0 0 320.437 2.493 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnccc1C(F)(F)F ZINC000572896143 406760535 /nfs/dbraw/zinc/76/05/35/406760535.db2.gz KTKXJBJKGMPUTC-CABZTGNLSA-N 0 0 300.280 2.421 10 30 DEEERN C=CCCOCCNC(=O)C[C@@H](n1ccnc1)C(F)(F)F ZINC000635738688 406718819 /nfs/dbraw/zinc/71/88/19/406718819.db2.gz ZROPOJAVRDXHMQ-LLVKDONJSA-N 0 0 305.300 2.086 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000573713706 406776997 /nfs/dbraw/zinc/77/69/97/406776997.db2.gz BHHODIUMEZJDRZ-VGWMRTNUSA-N 0 0 320.433 2.321 10 30 DEEERN COc1ccc([C@@]2(C)N(O)[C@@H](C)C(c3cccs3)=[N+]2[O-])cc1 ZINC000575346904 406807034 /nfs/dbraw/zinc/80/70/34/406807034.db2.gz IRQQBVBWVZGYEK-UAGUMBHZSA-N 0 0 319.406 2.319 10 30 DEEERN CCOC(=O)Cc1c(C#N)cc(C=O)cc1OC(F)(F)F ZINC000575390986 406808784 /nfs/dbraw/zinc/80/87/84/406808784.db2.gz MXFJDZWZJZPOQH-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN C=CCCCCCNC(=O)[C@@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000575932348 406827175 /nfs/dbraw/zinc/82/71/75/406827175.db2.gz IVVFOBZAGLSCFZ-KFWWJZLASA-N 0 0 320.433 2.413 10 30 DEEERN CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1ccc(C#N)n1C ZINC000450797956 286843086 /nfs/dbraw/zinc/84/30/86/286843086.db2.gz UFLNFTWUPSCZER-HNNXBMFYSA-N 0 0 311.385 2.310 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000129254269 196032597 /nfs/dbraw/zinc/03/25/97/196032597.db2.gz WUNDCTJECZYVCN-HNNXBMFYSA-N 0 0 316.401 2.421 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1cccc(C(N)=O)c1 ZINC000129401312 196044686 /nfs/dbraw/zinc/04/46/86/196044686.db2.gz MBQFMGKUCKVRJC-UHFFFAOYSA-N 0 0 317.352 2.272 10 30 DEEERN C#CC[C@H](CC)NS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000130955718 196126778 /nfs/dbraw/zinc/12/67/78/196126778.db2.gz YUAPLMRGAUKHIV-LBPRGKRZSA-N 0 0 310.375 2.292 10 30 DEEERN COc1ccc(C#CCO)c(CSc2nc(C)ns2)c1 ZINC000130989816 196129535 /nfs/dbraw/zinc/12/95/35/196129535.db2.gz NLJOXTPVAWIDFD-UHFFFAOYSA-N 0 0 306.412 2.491 10 30 DEEERN N#Cc1cc(Br)ccc1N[C@@H]1CCCNC(=O)C1 ZINC000132318951 196245079 /nfs/dbraw/zinc/24/50/79/196245079.db2.gz OHALICLMYCCNHN-LLVKDONJSA-N 0 0 308.179 2.401 10 30 DEEERN C#CCC[C@H](NN)c1csc(I)c1 ZINC000133744801 196333120 /nfs/dbraw/zinc/33/31/20/196333120.db2.gz KFXSUDZPGZSBOK-QMMMGPOBSA-N 0 0 306.172 2.271 10 30 DEEERN N#CCCN(C1CC1)S(=O)(=O)c1cccc2ncccc21 ZINC000133915933 196345963 /nfs/dbraw/zinc/34/59/63/196345963.db2.gz OZZFHKVZTWTFLT-UHFFFAOYSA-N 0 0 301.371 2.302 10 30 DEEERN Cc1ccc(C#CCCO)cc1C(=O)N[C@@H]1CCCSC1 ZINC000136574702 196542498 /nfs/dbraw/zinc/54/24/98/196542498.db2.gz YSERKPYLPWMXPP-OAHLLOKOSA-N 0 0 303.427 2.354 10 30 DEEERN Cc1cccc2c1OCC[C@@H]2NS(=O)(=O)CCCCC#N ZINC000188649453 225028652 /nfs/dbraw/zinc/02/86/52/225028652.db2.gz FWYXNGFKNAPBRF-AWEZNQCLSA-N 0 0 308.403 2.432 10 30 DEEERN NC(=O)CSc1nnc(SCC#Cc2ccccc2)s1 ZINC000191562959 225112635 /nfs/dbraw/zinc/11/26/35/225112635.db2.gz UQSOPIHFQFEOCQ-UHFFFAOYSA-N 0 0 321.452 2.259 10 30 DEEERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)n1 ZINC000191688993 225116084 /nfs/dbraw/zinc/11/60/84/225116084.db2.gz LRFAIDYVPQYCLY-YGRLFVJLSA-N 0 0 305.338 2.013 10 30 DEEERN C[C@](C#N)(NC(=O)CN1CCCC[C@@H]1c1nccs1)C1CC1 ZINC000195369231 225204110 /nfs/dbraw/zinc/20/41/10/225204110.db2.gz GGEAZLOVKFOVAP-CZUORRHYSA-N 0 0 318.446 2.479 10 30 DEEERN Cc1c(C(=O)N[C@H](C)C(=O)N2CCCCC2)sc2nccn12 ZINC000328935326 225815822 /nfs/dbraw/zinc/81/58/22/225815822.db2.gz FNVCFECDOYGDQE-SNVBAGLBSA-N 0 0 320.418 2.410 10 30 DEEERN Cn1cc(NC(=O)N2CC[C@H]([C@H]3CCOC3)C2)c(C2CC2)n1 ZINC000329606915 225903909 /nfs/dbraw/zinc/90/39/09/225903909.db2.gz IFDBQVZQNNJKOE-STQMWFEESA-N 0 0 304.394 2.201 10 30 DEEERN N#C[C@H]1CN(C(=O)NC[C@@H]2CCc3ccccc32)CCN1C1CC1 ZINC000369220698 227027198 /nfs/dbraw/zinc/02/71/98/227027198.db2.gz UDFDUENOCOPRQP-RDJZCZTQSA-N 0 0 324.428 2.098 10 30 DEEERN Cc1nc(N2CCC(C(=O)N(C)C)CC2)c(Cl)cc1C#N ZINC000291054685 222102400 /nfs/dbraw/zinc/10/24/00/222102400.db2.gz ZTGUYAXZLLMPCA-UHFFFAOYSA-N 0 0 306.797 2.220 10 30 DEEERN C=CCn1c(Nc2ccc(OC)cc2)nnc1[C@@H]1COCCO1 ZINC000291173500 222194412 /nfs/dbraw/zinc/19/44/12/222194412.db2.gz NLILQOBKMUGPIZ-AWEZNQCLSA-N 0 0 316.361 2.304 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)C[C@@H](O)CC(C)(C)C ZINC000291411179 222372031 /nfs/dbraw/zinc/37/20/31/222372031.db2.gz CIGDNTCCIWLWQG-CYBMUJFWSA-N 0 0 316.401 2.175 10 30 DEEERN Cn1cc([C@@]2(C)CN(c3c(F)cc(C#N)cc3F)CCO2)cn1 ZINC000301628225 229784978 /nfs/dbraw/zinc/78/49/78/229784978.db2.gz BNCUKWCSVCRRHQ-MRXNPFEDSA-N 0 0 318.327 2.322 10 30 DEEERN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ccc(C#N)nn1 ZINC000302388111 230231089 /nfs/dbraw/zinc/23/10/89/230231089.db2.gz BGRSIPYDELAWBO-YPMHNXCESA-N 0 0 317.393 2.406 10 30 DEEERN CCn1cnnc1[C@H]1CCCN(c2c(C#N)cccc2C#N)C1 ZINC000302658385 230334436 /nfs/dbraw/zinc/33/44/36/230334436.db2.gz ALTFSJVOVRRXGY-HNNXBMFYSA-N 0 0 306.373 2.425 10 30 DEEERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1nn(C)cc1C#N ZINC000619320085 422529360 /nfs/dbraw/zinc/52/93/60/422529360.db2.gz HLWHOGJAAJFTGT-VXNVDRBHSA-N 0 0 301.272 2.096 10 30 DEEERN N#Cc1cc(F)ccc1NC(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000548709850 424872672 /nfs/dbraw/zinc/87/26/72/424872672.db2.gz FSWFLGZQLMKQPE-ZDUSSCGKSA-N 0 0 315.308 2.916 10 30 DEEERN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000175194012 424863358 /nfs/dbraw/zinc/86/33/58/424863358.db2.gz SYPDXOSGZQQDCP-RYUDHWBXSA-N 0 0 315.417 2.443 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(OC)n(C)n1 ZINC000568607620 424919245 /nfs/dbraw/zinc/91/92/45/424919245.db2.gz YUWASPATDCISCN-CQSZACIVSA-N 0 0 314.389 2.738 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000572312173 424934553 /nfs/dbraw/zinc/93/45/53/424934553.db2.gz IVESYVUFKIKJSJ-JTQLQIEISA-N 0 0 318.406 2.809 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1 ZINC000560426448 424888885 /nfs/dbraw/zinc/88/88/85/424888885.db2.gz NJRCTPDPHHUEQS-CFVMTHIKSA-N 0 0 318.421 3.018 10 30 DEEERN C=C(C)COCCNC(=O)Nc1cc(C)n([C@H](C)C2CC2)n1 ZINC000345137447 424993430 /nfs/dbraw/zinc/99/34/30/424993430.db2.gz LPMFGZUDLHQCPJ-CYBMUJFWSA-N 0 0 306.410 2.877 10 30 DEEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nncs1 ZINC000353349463 425055031 /nfs/dbraw/zinc/05/50/31/425055031.db2.gz GPRXBOFBDFQJFM-UHFFFAOYSA-N 0 0 320.422 2.926 10 30 DEEERN Cc1noc([C@@H]2CCCN(C(=O)Cc3cccc(C#N)c3)C2)n1 ZINC000531385105 268099126 /nfs/dbraw/zinc/09/91/26/268099126.db2.gz UKOOCXXAUVWORI-OAHLLOKOSA-N 0 0 310.357 2.198 10 30 DEEERN C#CC[C@@H](NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)c1ccccc1 ZINC000364359742 275384878 /nfs/dbraw/zinc/38/48/78/275384878.db2.gz LOAGUEMEYNHHBW-NPYXIHBLSA-N 0 0 311.381 2.109 10 30 DEEERN C(#CCN1CCC[C@H]1c1ncc[nH]1)CN1CCC[C@H]1c1ncc[nH]1 ZINC000367457899 276801276 /nfs/dbraw/zinc/80/12/76/276801276.db2.gz IKEKZPRDKBXFHF-HOTGVXAUSA-N 0 0 324.432 2.110 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CN1C(=O)[C@@H]2[C@@H]3CCC[C@@H]3CN2C1=O ZINC000348763871 277794358 /nfs/dbraw/zinc/79/43/58/277794358.db2.gz WSXMNOXKPABFNX-ZSAUSMIDSA-N 0 0 304.390 2.030 10 30 DEEERN C=CCCS(=O)(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000183193352 277834452 /nfs/dbraw/zinc/83/44/52/277834452.db2.gz IFYQLFWNIKVKHQ-ZDUSSCGKSA-N 0 0 324.450 2.047 10 30 DEEERN C=CC[C@@H](C(=O)N1CCO[C@]2(CCOC2)C1)c1ccccc1 ZINC000189143259 277879078 /nfs/dbraw/zinc/87/90/78/277879078.db2.gz OWANRRRYPMYXFZ-SJLPKXTDSA-N 0 0 301.386 2.364 10 30 DEEERN COc1cccc2c1CCN(c1ncc([N+](=O)[O-])cc1C#N)CC2 ZINC000365348814 278031362 /nfs/dbraw/zinc/03/13/62/278031362.db2.gz XMMXPEQFTQMUIN-UHFFFAOYSA-N 0 0 324.340 2.475 10 30 DEEERN CC1(C)C[C@H](NC(=O)N[C@H]2[C@@H]3COC[C@@H]32)c2ccccc2O1 ZINC000329987971 278375328 /nfs/dbraw/zinc/37/53/28/278375328.db2.gz GRGFJNCGNZVNJS-SFDCQRBFSA-N 0 0 302.374 2.437 10 30 DEEERN N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000225576492 279501991 /nfs/dbraw/zinc/50/19/91/279501991.db2.gz XWNOOPJJXJXQFT-DGCLKSJQSA-N 0 0 309.291 2.292 10 30 DEEERN Cc1nc(C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)ccc1C#N ZINC000188827768 281830236 /nfs/dbraw/zinc/83/02/36/281830236.db2.gz BDGFZJDNHKQTNP-GFCCVEGCSA-N 0 0 324.388 2.194 10 30 DEEERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000329871319 297560884 /nfs/dbraw/zinc/56/08/84/297560884.db2.gz CJDCKDTXOAQQNK-JKQORVJESA-N 0 0 306.406 2.255 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc2ncccc21 ZINC000135637068 303160234 /nfs/dbraw/zinc/16/02/34/303160234.db2.gz UNBYVQPGNNNYBH-WCQYABFASA-N 0 0 301.371 2.205 10 30 DEEERN N#Cc1cc(N2CCC[C@]3(CCCOC3)C2)cc(N)c1[N+](=O)[O-] ZINC000408103452 303185190 /nfs/dbraw/zinc/18/51/90/303185190.db2.gz ANJPSQKTBAABIK-INIZCTEOSA-N 0 0 316.361 2.446 10 30 DEEERN O=C(NC1CCC(C(F)(F)F)CC1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328666886 303507550 /nfs/dbraw/zinc/50/75/50/303507550.db2.gz CXDBISXXMVDXSG-CAODYFQJSA-N 0 0 322.327 2.121 10 30 DEEERN CS(=O)(=O)c1csc(C(=O)N(CC#N)c2ccccc2)c1 ZINC000179480192 331524985 /nfs/dbraw/zinc/52/49/85/331524985.db2.gz LIVRQJDJCKKWNP-UHFFFAOYSA-N 0 0 320.395 2.322 10 30 DEEERN C=C(C)Cn1c(N(C)[C@H]2CCOC2)nnc1[C@]1(C)CCCO1 ZINC000556440420 331704294 /nfs/dbraw/zinc/70/42/94/331704294.db2.gz ONKJPBZBQSLPCN-BBRMVZONSA-N 0 0 306.410 2.105 10 30 DEEERN C[C@H]1C[C@@H](CC(=O)N2CCN(C(=O)CC#N)CC2)CC(C)(C)C1 ZINC000408059778 331745160 /nfs/dbraw/zinc/74/51/60/331745160.db2.gz BZLXYSVBNGDUIU-GJZGRUSLSA-N 0 0 319.449 2.423 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000562364967 332584854 /nfs/dbraw/zinc/58/48/54/332584854.db2.gz CVTMRPRGTGWKNU-HUUCEWRRSA-N 0 0 312.373 2.246 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000562855549 332633131 /nfs/dbraw/zinc/63/31/31/332633131.db2.gz KEIQYTZJOISPGA-XZJROXQQSA-N 0 0 320.437 2.001 10 30 DEEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@H](C#N)C(C)(C)C ZINC000362343349 333051172 /nfs/dbraw/zinc/05/11/72/333051172.db2.gz RGNVVQCKYGAOGB-BZNIZROVSA-N 0 0 307.394 2.303 10 30 DEEERN CC(C)C[C@@H](CO)N(C)C(=O)NCc1ccc(OCC#N)cc1 ZINC000185351311 333207409 /nfs/dbraw/zinc/20/74/09/333207409.db2.gz XJGBOEUGVCDYFR-HNNXBMFYSA-N 0 0 319.405 2.137 10 30 DEEERN C#CCCCC(=O)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000365228569 333399332 /nfs/dbraw/zinc/39/93/32/333399332.db2.gz GZGXEZVKOYCEMP-MRXNPFEDSA-N 0 0 316.445 2.431 10 30 DEEERN CC#CCN(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000297137896 335150721 /nfs/dbraw/zinc/15/07/21/335150721.db2.gz CIVDWDIINXDLGW-HOTGVXAUSA-N 0 0 321.371 2.375 10 30 DEEERN C=CC(C)(C)C(=O)NC[C@H](Cc1ccc(F)cc1C)C(=O)NC ZINC000520409324 335975516 /nfs/dbraw/zinc/97/55/16/335975516.db2.gz GCZAKCLUBATDAP-AWEZNQCLSA-N 0 0 320.408 2.367 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CNC(=O)c1cccc(F)c1 ZINC000360290722 336707300 /nfs/dbraw/zinc/70/73/00/336707300.db2.gz HAKOLSHDYMKZJW-UHFFFAOYSA-N 0 0 318.270 2.132 10 30 DEEERN CN(CC1(CO)CC1)C(=O)Nc1ncccc1OCCCC#N ZINC000188709081 337026209 /nfs/dbraw/zinc/02/62/09/337026209.db2.gz HTSXLWVGTRHFBC-UHFFFAOYSA-N 0 0 318.377 2.000 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1COCc2ccccc21 ZINC000582721909 337125185 /nfs/dbraw/zinc/12/51/85/337125185.db2.gz BAUNECZVEZGBFH-MAZHCROVSA-N 0 0 302.374 2.148 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCc2cc(OC)c(F)cc2C1 ZINC000583855396 337343761 /nfs/dbraw/zinc/34/37/61/337343761.db2.gz PDSNYCACLWVECK-CABCVRRESA-N 0 0 320.364 2.246 10 30 DEEERN CC[C@@H](COS(C)(=O)=O)Nc1ccc2c(C#N)nccc2c1 ZINC000584620039 337371777 /nfs/dbraw/zinc/37/17/77/337371777.db2.gz XXNYPYYPYZFICR-LBPRGKRZSA-N 0 0 319.386 2.273 10 30 DEEERN CCOC(=O)[C@]1(C)CC(=O)Nc2c1c(C#N)cn2C(C)(C)C ZINC000584662392 337378393 /nfs/dbraw/zinc/37/83/93/337378393.db2.gz ZIIFIBRYSIGZLM-MRXNPFEDSA-N 0 0 303.362 2.278 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(C#N)c(OC)c1 ZINC000571854401 337579917 /nfs/dbraw/zinc/57/99/17/337579917.db2.gz LFZYRFPNAHCVFT-CABCVRRESA-N 0 0 315.373 2.100 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1ncc(CC)s1 ZINC000572278523 337602706 /nfs/dbraw/zinc/60/27/06/337602706.db2.gz GRBXEKOOBJRRRP-AAEUAGOBSA-N 0 0 309.435 2.438 10 30 DEEERN C=CCC(C)(C)CNC(=O)NCCC1CCS(=O)(=O)CC1 ZINC000432352816 338153903 /nfs/dbraw/zinc/15/39/03/338153903.db2.gz FAKHOSAUBYMRLA-UHFFFAOYSA-N 0 0 316.467 2.103 10 30 DEEERN C[C@H](C#N)CNC(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000172916118 340348191 /nfs/dbraw/zinc/34/81/91/340348191.db2.gz IZGKKEOKPGBOSX-AGIUHOORSA-N 0 0 309.410 2.346 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000516863698 340457509 /nfs/dbraw/zinc/45/75/09/340457509.db2.gz MPOLUHMMXIHOST-XQLPTFJDSA-N 0 0 310.438 2.423 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cn(C)nc1-c1ccco1 ZINC000529230279 340749301 /nfs/dbraw/zinc/74/93/01/340749301.db2.gz ATGMEXVTVKSKRN-PWSUYJOCSA-N 0 0 302.334 2.145 10 30 DEEERN CC1(C#N)CCN(C(=O)NCCCOCC(F)(F)F)CC1 ZINC000542814186 341021660 /nfs/dbraw/zinc/02/16/60/341021660.db2.gz TUVOSYJYJAIUMW-UHFFFAOYSA-N 0 0 307.316 2.291 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000545924231 341146424 /nfs/dbraw/zinc/14/64/24/341146424.db2.gz RTBZURLDSCUSFB-GFCCVEGCSA-N 0 0 315.373 2.279 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1c(OC)ccc(SC)c1OC ZINC000547404361 341211405 /nfs/dbraw/zinc/21/14/05/341211405.db2.gz ABYUAAKIGCMBTR-JTQLQIEISA-N 0 0 311.403 2.093 10 30 DEEERN C=CCn1c(C)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000548959717 341282292 /nfs/dbraw/zinc/28/22/92/341282292.db2.gz MNKHIWPDHXHPDT-AWEZNQCLSA-N 0 0 317.393 2.173 10 30 DEEERN CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1 ZINC000549135443 341286512 /nfs/dbraw/zinc/28/65/12/341286512.db2.gz YSTNQZGLSJHWMN-OAHLLOKOSA-N 0 0 311.389 2.179 10 30 DEEERN CC[C@H](O)CN(CC(=O)N(CC)C[C@H](C)C#N)c1ccccc1 ZINC000245398876 341291152 /nfs/dbraw/zinc/29/11/52/341291152.db2.gz UVROOZISVIXEGE-WBVHZDCISA-N 0 0 317.433 2.272 10 30 DEEERN CC1CC(C#N)(C(=O)N2CCO[C@@H](COc3ccccc3)C2)C1 ZINC000564389824 341382629 /nfs/dbraw/zinc/38/26/29/341382629.db2.gz ZSFLGXXBSAARIZ-BFHRDPOASA-N 0 0 314.385 2.233 10 30 DEEERN C=CCNC(=O)CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000249475415 341398054 /nfs/dbraw/zinc/39/80/54/341398054.db2.gz VKBIBOWVSBYINZ-ZNMIVQPWSA-N 0 0 322.449 2.263 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1cc(F)ccc1OC ZINC000565287450 341522767 /nfs/dbraw/zinc/52/27/67/341522767.db2.gz IMBMJRPTOJZQJD-KGLIPLIRSA-N 0 0 308.353 2.367 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CC)c1c(C)nn(C)c1C ZINC000567726841 341630090 /nfs/dbraw/zinc/63/00/90/341630090.db2.gz AEQMUVZCAZJWEO-ZNMIVQPWSA-N 0 0 320.437 2.378 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000567743362 341631126 /nfs/dbraw/zinc/63/11/26/341631126.db2.gz SDWDEMZIITZZOS-HZMVEIRTSA-N 0 0 316.401 2.095 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)NC[C@@H]1CSc2ccccc2O1 ZINC000575984423 341818321 /nfs/dbraw/zinc/81/83/21/341818321.db2.gz UKMUQESLZAZCID-QWHCGFSZSA-N 0 0 322.430 2.166 10 30 DEEERN C=CCn1c(CC)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000577426960 341909368 /nfs/dbraw/zinc/90/93/68/341909368.db2.gz ODVHJEBGXQGBOI-OAHLLOKOSA-N 0 0 314.389 2.310 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCN(CCOC(C)C)CC1 ZINC000127015431 500951255 /nfs/dbraw/zinc/95/12/55/500951255.db2.gz NIEZVAXLCQNXMO-UHFFFAOYSA-N 0 0 315.417 2.050 10 30 DEEERN Cc1ccc(N2CCC[C@H](c3nnc4n3CCC4)C2)nc1C#N ZINC000302593570 534163332 /nfs/dbraw/zinc/16/33/32/534163332.db2.gz ASMPAZTXNATZIW-ZDUSSCGKSA-N 0 0 308.389 2.183 10 30 DEEERN C[C@@H]1Oc2ccc(NC(=O)N[C@@H]3CCC[C@H]3C#N)cc2NC1=O ZINC000408238927 534213849 /nfs/dbraw/zinc/21/38/49/534213849.db2.gz ZHVMZSQPXYVCBM-JBLDHEPKSA-N 0 0 314.345 2.220 10 30 DEEERN C=C(CC)CNC(=O)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000459099529 534409212 /nfs/dbraw/zinc/40/92/12/534409212.db2.gz RCQIHEMJRHPDPS-WBVHZDCISA-N 0 0 306.381 2.462 10 30 DEEERN C=C(CC)CNC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000454843455 534410428 /nfs/dbraw/zinc/41/04/28/534410428.db2.gz BVOGVSZJRVZELE-OAHLLOKOSA-N 0 0 319.380 2.192 10 30 DEEERN N#CC1(c2ccc(C(=O)N3CCC(F)(F)[C@@H](CO)C3)cc2)CC1 ZINC000291319030 534572203 /nfs/dbraw/zinc/57/22/03/534572203.db2.gz SLGLIFNLLCIWTF-CQSZACIVSA-N 0 0 320.339 2.331 10 30 DEEERN N#CCSCC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000170636659 534700472 /nfs/dbraw/zinc/70/04/72/534700472.db2.gz DAWZOLNQBCJSDB-UHFFFAOYSA-N 0 0 319.361 2.396 10 30 DEEERN Cn1cnc2cc(C(=O)N[C@H](CO)CC3CCCC3)cnc21 ZINC000328663692 534811022 /nfs/dbraw/zinc/81/10/22/534811022.db2.gz BJYUPWPJUXSSSY-ZDUSSCGKSA-N 0 0 302.378 2.214 10 30 DEEERN CSCCCCC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000159084326 525398214 /nfs/dbraw/zinc/39/82/14/525398214.db2.gz MQMWEFDHDWBWAG-UHFFFAOYSA-N 0 0 318.446 2.135 10 30 DEEERN C=CCOc1ccc(CC(=O)NCCc2cc(C)no2)cc1 ZINC000451714069 534881025 /nfs/dbraw/zinc/88/10/25/534881025.db2.gz TWFDSYWLKSSZQP-UHFFFAOYSA-N 0 0 300.358 2.449 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000246946643 525960744 /nfs/dbraw/zinc/96/07/44/525960744.db2.gz PBCOFNPIUGNWSX-FDQGKXFDSA-N 0 0 316.401 2.383 10 30 DEEERN C=CCN(CCOC)C(=O)C(=O)Nc1ccc(C)c(CC)c1 ZINC000190743715 526284185 /nfs/dbraw/zinc/28/41/85/526284185.db2.gz RMUDBGMKPPMLKP-UHFFFAOYSA-N 0 0 304.390 2.157 10 30 DEEERN CNC(=O)Cn1cc(NC(=O)C[C@@H]2CCCCC(=O)N2)cn1 ZINC000328632054 526398828 /nfs/dbraw/zinc/39/88/28/526398828.db2.gz ADFCONPMYKHNDE-JTQLQIEISA-N 0 0 307.354 2.347 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)C/C=C\c2ccc(F)cc2)C1=O ZINC000341602446 526459585 /nfs/dbraw/zinc/45/95/85/526459585.db2.gz CFURJOAVMCGKRM-YIEVGGLXSA-N 0 0 316.376 2.474 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C)c(OCC)c2)C1=O ZINC000337071827 526497354 /nfs/dbraw/zinc/49/73/54/526497354.db2.gz NRFBSWKFTCNOLX-HNNXBMFYSA-N 0 0 316.401 2.253 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(C#N)ccn1 ZINC000342368671 526557756 /nfs/dbraw/zinc/55/77/56/526557756.db2.gz MJYXLQOZXKZTCT-UHFFFAOYSA-N 0 0 311.341 2.257 10 30 DEEERN C=CCNC(=O)Cc1noc(/C=C\c2cnc3ccccc3n2)n1 ZINC000445353816 526579680 /nfs/dbraw/zinc/57/96/80/526579680.db2.gz VIVVQZZEHULEQE-FPLPWBNLSA-N 0 0 321.340 2.028 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N[C@](C)(CO)C(C)C)cc1 ZINC000353035345 526650845 /nfs/dbraw/zinc/65/08/45/526650845.db2.gz QDBDMYVBBDPFHJ-QGZVFWFLSA-N 0 0 319.405 2.131 10 30 DEEERN C#CCC(CC#C)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000287282169 526673364 /nfs/dbraw/zinc/67/33/64/526673364.db2.gz RLUWRDRHEQDWEE-UHFFFAOYSA-N 0 0 313.397 2.415 10 30 DEEERN C=C(C)CS(=O)(=O)NC[C@H](CC(C)C)C(=O)OC(C)(C)C ZINC000425190988 526682749 /nfs/dbraw/zinc/68/27/49/526682749.db2.gz UUKLGQZLLCZPQJ-ZDUSSCGKSA-N 0 0 319.467 2.486 10 30 DEEERN C=CCNc1ncc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)s1 ZINC000252647537 526682964 /nfs/dbraw/zinc/68/29/64/526682964.db2.gz YESDAFRNCKEFJZ-MVWJERBFSA-N 0 0 307.419 2.284 10 30 DEEERN C#CCCCC(=O)N[C@H](c1nccn1C)c1ccc(OC)cc1 ZINC000192100989 526682960 /nfs/dbraw/zinc/68/29/60/526682960.db2.gz MBGHCFHFWWZIIL-KRWDZBQOSA-N 0 0 311.385 2.438 10 30 DEEERN C=C(C)CS(=O)(=O)NCc1nc2ccccc2n1C1CC1 ZINC000435433951 526684342 /nfs/dbraw/zinc/68/43/42/526684342.db2.gz PUTKIVUDBPOGGN-UHFFFAOYSA-N 0 0 305.403 2.367 10 30 DEEERN C=CCOCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000340965716 526714144 /nfs/dbraw/zinc/71/41/44/526714144.db2.gz YAVXPORVGYXHGB-ZBFHGGJFSA-N 0 0 308.809 2.404 10 30 DEEERN C#CCCCNC(=O)N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000369775225 526714414 /nfs/dbraw/zinc/71/44/14/526714414.db2.gz PBBORIPGVSXHPN-AWEZNQCLSA-N 0 0 323.437 2.489 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CC[S@](=O)C(CC)(CC)C1 ZINC000338845516 526723363 /nfs/dbraw/zinc/72/33/63/526723363.db2.gz GQVZAYFSOIILKY-NRFANRHFSA-N 0 0 310.467 2.290 10 30 DEEERN C=C(C)Cn1c(N2CCC[C@H](NC(C)=O)C2)nnc1C(C)(C)C ZINC000338806690 526732524 /nfs/dbraw/zinc/73/25/24/526732524.db2.gz ZOVDQWCOBSPOBJ-AWEZNQCLSA-N 0 0 319.453 2.257 10 30 DEEERN C#CCCNC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000369287767 526734689 /nfs/dbraw/zinc/73/46/89/526734689.db2.gz KKUZGJPLYXTOOR-ZDUSSCGKSA-N 0 0 305.809 2.489 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCCc1nccs1 ZINC000292570111 526774959 /nfs/dbraw/zinc/77/49/59/526774959.db2.gz RMADNJOGRAZHTR-OCCSQVGLSA-N 0 0 309.435 2.356 10 30 DEEERN C=CCOCCNC(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000368079710 526775397 /nfs/dbraw/zinc/77/53/97/526775397.db2.gz URHJUSPFBPMEPU-MRXNPFEDSA-N 0 0 303.406 2.475 10 30 DEEERN C=CCOCCNC(=O)N1CCCN(c2ccc(C)cc2)CC1 ZINC000378585143 526775612 /nfs/dbraw/zinc/77/56/12/526775612.db2.gz BKUGCUCKMMTOJJ-UHFFFAOYSA-N 0 0 317.433 2.419 10 30 DEEERN C=CCOCCNC(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000378598891 526777032 /nfs/dbraw/zinc/77/70/32/526777032.db2.gz WEWQROBJJWUEQG-GDBMZVCRSA-N 0 0 304.390 2.361 10 30 DEEERN C=CCOCCNC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000371643242 526777662 /nfs/dbraw/zinc/77/76/62/526777662.db2.gz VCKMEVJMYRPLLW-OAHLLOKOSA-N 0 0 308.353 2.111 10 30 DEEERN C=CCOCCNC(=O)NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000366107365 526778069 /nfs/dbraw/zinc/77/80/69/526778069.db2.gz HGCFNDFULVTUGY-INIZCTEOSA-N 0 0 317.433 2.405 10 30 DEEERN C=CCOCCNC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000369983686 526779108 /nfs/dbraw/zinc/77/91/08/526779108.db2.gz JRLXLWBZPSBXRY-HZPDHXFCSA-N 0 0 304.390 2.409 10 30 DEEERN C=CCOCCNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000376850077 526779135 /nfs/dbraw/zinc/77/91/35/526779135.db2.gz BDPQLJMOMAMLPN-CQSZACIVSA-N 0 0 323.824 2.421 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCO[C@@H]2CC[C@H](OC)C[C@H]21)OCC ZINC000339486002 526809153 /nfs/dbraw/zinc/80/91/53/526809153.db2.gz BNSXZSNJLLJJDJ-JJXSEGSLSA-N 0 0 311.422 2.153 10 30 DEEERN C=CCO[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000302128251 526820171 /nfs/dbraw/zinc/82/01/71/526820171.db2.gz GCAKVDZSNRDULK-GFCCVEGCSA-N 0 0 317.357 2.464 10 30 DEEERN C=CCOc1ccc(C(=O)NCC[C@@H](O)C(F)(F)F)cc1 ZINC000337052673 526845845 /nfs/dbraw/zinc/84/58/45/526845845.db2.gz SJZMEVKIAXJMAC-GFCCVEGCSA-N 0 0 303.280 2.295 10 30 DEEERN C=CCOc1ccc(CNC(=O)N(C)CC2(CO)CC2)cc1 ZINC000288594999 526876583 /nfs/dbraw/zinc/87/65/83/526876583.db2.gz YDJOZLCQHFEQQW-UHFFFAOYSA-N 0 0 304.390 2.165 10 30 DEEERN C=CCOc1ccc(CNC(=O)N(C)Cc2cc[nH]n2)cc1 ZINC000347138164 526877081 /nfs/dbraw/zinc/87/70/81/526877081.db2.gz RIUIHSCHOJCAKD-UHFFFAOYSA-N 0 0 300.362 2.316 10 30 DEEERN C=CCOc1ccccc1CNC(=O)C[C@H]1CCOC[C@@H]1OC ZINC000294645620 526936619 /nfs/dbraw/zinc/93/66/19/526936619.db2.gz PGRJGARXGSNCQT-PBHICJAKSA-N 0 0 319.401 2.309 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CC(CO)(c2ccccc2)C1 ZINC000412774697 526955391 /nfs/dbraw/zinc/95/53/91/526955391.db2.gz PUMFDRGDFZJDIY-UHFFFAOYSA-N 0 0 324.380 2.033 10 30 DEEERN C=CCC(C)(C)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000298680223 526995569 /nfs/dbraw/zinc/99/55/69/526995569.db2.gz MROWVQISDGZMNS-OAHLLOKOSA-N 0 0 302.418 2.404 10 30 DEEERN C=CCC1(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CCC1 ZINC000190188948 527059076 /nfs/dbraw/zinc/05/90/76/527059076.db2.gz BPAJESVBKFHXLO-HNNXBMFYSA-N 0 0 313.401 2.440 10 30 DEEERN C=CCC1(C(=O)N[C@H](CO)Cc2cccc(C)c2)CCOCC1 ZINC000424798447 527059305 /nfs/dbraw/zinc/05/93/05/527059305.db2.gz TYSBRZSNEBOVKL-KRWDZBQOSA-N 0 0 317.429 2.388 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1ccc2c(c1)nc(C(F)F)n2C ZINC000337000804 527075222 /nfs/dbraw/zinc/07/52/22/527075222.db2.gz SMSXRGTUURZPKE-SNVBAGLBSA-N 0 0 323.343 2.425 10 30 DEEERN C=CCCC(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1 ZINC000447705004 527079158 /nfs/dbraw/zinc/07/91/58/527079158.db2.gz VEIAIYZQCBNYSU-UHFFFAOYSA-N 0 0 315.377 2.252 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@H](CC)Oc1ccccc1F ZINC000183651951 527089408 /nfs/dbraw/zinc/08/94/08/527089408.db2.gz FOAOJFXRCZXKDR-STQMWFEESA-N 0 0 310.369 2.219 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000349352561 527095682 /nfs/dbraw/zinc/09/56/82/527095682.db2.gz QZINOCYCUXTNSV-AWEZNQCLSA-N 0 0 305.378 2.340 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC000377225507 527100797 /nfs/dbraw/zinc/10/07/97/527100797.db2.gz CEENDKRDNFIITR-ZDUSSCGKSA-N 0 0 317.776 2.464 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)NCCCn1ccnn1 ZINC000413440292 527109196 /nfs/dbraw/zinc/10/91/96/527109196.db2.gz BROFFMHJCNXHAI-INIZCTEOSA-N 0 0 313.405 2.155 10 30 DEEERN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000192213268 527109654 /nfs/dbraw/zinc/10/96/54/527109654.db2.gz NECKJLJGKRAQHR-OAHLLOKOSA-N 0 0 304.365 2.399 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)c1nc(C)c(C)[nH]c1=O ZINC000412847353 527112416 /nfs/dbraw/zinc/11/24/16/527112416.db2.gz YAEKWOGQWJPGTK-HNNXBMFYSA-N 0 0 311.385 2.304 10 30 DEEERN C=CC[C@H](C)NC(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000369438087 527126842 /nfs/dbraw/zinc/12/68/42/527126842.db2.gz YIUDVLIWPKFHQJ-LBPRGKRZSA-N 0 0 303.410 2.078 10 30 DEEERN C=CCCCCNC(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000368409400 527152581 /nfs/dbraw/zinc/15/25/81/527152581.db2.gz ITFIUXGCCQOCAI-UHFFFAOYSA-N 0 0 306.385 2.409 10 30 DEEERN C=CCCCN(C)C(=O)[C@H]1CCCCN1S(=O)(=O)CCC ZINC000346795648 527189064 /nfs/dbraw/zinc/18/90/64/527189064.db2.gz MJXLPFACEGLKOE-CQSZACIVSA-N 0 0 316.467 2.005 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1 ZINC000248691818 527201254 /nfs/dbraw/zinc/20/12/54/527201254.db2.gz YAMMNKHEEFDUEZ-JKSUJKDBSA-N 0 0 317.433 2.200 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000186609469 527202727 /nfs/dbraw/zinc/20/27/27/527202727.db2.gz JFAALOAQRHGISB-CYBMUJFWSA-N 0 0 300.362 2.239 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1c(C)cc(N(C)C)cc1C ZINC000448375344 527209560 /nfs/dbraw/zinc/20/95/60/527209560.db2.gz MYKNKHYHJMTKBD-UHFFFAOYSA-N 0 0 303.406 2.390 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000413840780 527214929 /nfs/dbraw/zinc/21/49/29/527214929.db2.gz VZLOHAFUKHCUPQ-GOEBONIOSA-N 0 0 315.417 2.046 10 30 DEEERN C=CCCCNC(=O)N1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000448029347 527218770 /nfs/dbraw/zinc/21/87/70/527218770.db2.gz GVCPFEVNXFEIFW-CQSZACIVSA-N 0 0 306.410 2.086 10 30 DEEERN C=CCCCNS(=O)(=O)c1cc(C(=O)OCC)ccc1C ZINC000447934374 527234344 /nfs/dbraw/zinc/23/43/44/527234344.db2.gz XUUAUGGXILWFFS-UHFFFAOYSA-N 0 0 311.403 2.416 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[C@@H](C)O ZINC000191964272 527256944 /nfs/dbraw/zinc/25/69/44/527256944.db2.gz DCYNHXXJXVENLQ-CYBMUJFWSA-N 0 0 318.417 2.364 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N1CCSC[C@@H](C(=O)OC)C1 ZINC000413445969 527263808 /nfs/dbraw/zinc/26/38/08/527263808.db2.gz XAMYSHLVMBHAEO-OLZOCXBDSA-N 0 0 314.451 2.279 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000181101970 527287495 /nfs/dbraw/zinc/28/74/95/527287495.db2.gz VKWWCKMORRNWEF-STQMWFEESA-N 0 0 321.425 2.195 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC000337812246 527315661 /nfs/dbraw/zinc/31/56/61/527315661.db2.gz LSRXMLKIFMBQSZ-AWEZNQCLSA-N 0 0 319.453 2.015 10 30 DEEERN C=CCCN(C)S(=O)(=O)c1cc(C(=O)OC)cc(F)c1C ZINC000342142962 527322188 /nfs/dbraw/zinc/32/21/88/527322188.db2.gz YLTKXGDVSTWWNJ-UHFFFAOYSA-N 0 0 315.366 2.117 10 30 DEEERN C=CCCOCCNC(=O)C(=O)N1CCC[C@@H]1CC(C)(C)C ZINC000342005716 527340096 /nfs/dbraw/zinc/34/00/96/527340096.db2.gz OVVZAKAQCTXLMH-CQSZACIVSA-N 0 0 310.438 2.123 10 30 DEEERN C#C[C@H](C)NC(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000368494014 527340184 /nfs/dbraw/zinc/34/01/84/527340184.db2.gz DNDAIQUEURLEBS-LBPRGKRZSA-N 0 0 307.344 2.208 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000413869005 527430072 /nfs/dbraw/zinc/43/00/72/527430072.db2.gz HKTXAFWJYFMRMH-CABCVRRESA-N 0 0 321.396 2.031 10 30 DEEERN C#Cc1ccc(CNC(=O)N(C)Cc2nncn2C(C)C)cc1 ZINC000297563473 527435842 /nfs/dbraw/zinc/43/58/42/527435842.db2.gz KSAQAKFYJKWSAX-UHFFFAOYSA-N 0 0 311.389 2.182 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@H](O)CCc2ccccc2)cc1 ZINC000296848460 527437196 /nfs/dbraw/zinc/43/71/96/527437196.db2.gz LHBLSBRPCQWYDL-LJQANCHMSA-N 0 0 322.408 2.461 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000448929510 527488367 /nfs/dbraw/zinc/48/83/67/527488367.db2.gz MASAONPPRRJYIS-YUELXQCFSA-N 0 0 319.401 2.342 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1(C)CCC(C)CC1 ZINC000425895125 527491329 /nfs/dbraw/zinc/49/13/29/527491329.db2.gz UXUJSIBWELKAKW-DIODGJHASA-N 0 0 322.449 2.026 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(F)F ZINC000425796183 527491524 /nfs/dbraw/zinc/49/15/24/527491524.db2.gz NXTUATIDTMDASP-GWCFXTLKSA-N 0 0 324.327 2.270 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCNc1ccccc1 ZINC000425847869 527495316 /nfs/dbraw/zinc/49/53/16/527495316.db2.gz DCRQVYNDVTUKLH-HOCLYGCPSA-N 0 0 303.406 2.379 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1c(F)cccc1Cl ZINC000425179621 527499005 /nfs/dbraw/zinc/49/90/05/527499005.db2.gz QJSRIGKYTHKVRI-CABZTGNLSA-N 0 0 319.785 2.349 10 30 DEEERN C=CCCn1cc(C(=O)N[C@@H](CC)c2c(C)nn(C)c2C)nn1 ZINC000424690478 527525463 /nfs/dbraw/zinc/52/54/63/527525463.db2.gz LXDPQRVJIZNLDP-ZDUSSCGKSA-N 0 0 316.409 2.086 10 30 DEEERN C=CCCn1cc(C(=O)N[C@@H]2C[C@]2(F)c2ccccc2)nn1 ZINC000424982452 527526894 /nfs/dbraw/zinc/52/68/94/527526894.db2.gz OHYSNIUCLNMNNO-ZBFHGGJFSA-N 0 0 300.337 2.221 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000188369314 527534027 /nfs/dbraw/zinc/53/40/27/527534027.db2.gz CFCWMRFFHKZBOZ-DYVFJYSZSA-N 0 0 320.437 2.061 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)Nc1cc(-n2cccn2)ccc1C ZINC000191930224 527602756 /nfs/dbraw/zinc/60/27/56/527602756.db2.gz LQPQRXPLUDOHOD-UHFFFAOYSA-N 0 0 324.384 2.320 10 30 DEEERN C=C[C@](C)(CC)c1nc(-c2ccc(S(N)(=O)=O)cc2)no1 ZINC000337995900 527614591 /nfs/dbraw/zinc/61/45/91/527614591.db2.gz XNBUMMFBVYTNAP-CQSZACIVSA-N 0 0 307.375 2.238 10 30 DEEERN C=CCN(CCC#N)C(=O)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000293057463 527653277 /nfs/dbraw/zinc/65/32/77/527653277.db2.gz AWXUBMVIFZJSTB-UHFFFAOYSA-N 0 0 312.329 2.003 10 30 DEEERN CCC[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329228031 527816673 /nfs/dbraw/zinc/81/66/73/527816673.db2.gz ILCAVLGZWXEBAU-KFWWJZLASA-N 0 0 322.453 2.359 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)c3cccnc3C)C2)n1 ZINC000328613173 528746375 /nfs/dbraw/zinc/74/63/75/528746375.db2.gz QYRGXLGHTDCYDT-ZDUSSCGKSA-N 0 0 313.361 2.282 10 30 DEEERN CCN(Cc1c[nH]c2ccccc12)S(=O)(=O)N(C)CCC#N ZINC000442791444 528763482 /nfs/dbraw/zinc/76/34/82/528763482.db2.gz LICGOOUFHGUKMD-UHFFFAOYSA-N 0 0 320.418 2.080 10 30 DEEERN CC1(C)CCCN(C(=O)c2csc(-c3nc[nH]n3)n2)[C@H]1C#N ZINC000408399576 528932376 /nfs/dbraw/zinc/93/23/76/528932376.db2.gz ISNIWTZQIPUGNV-JTQLQIEISA-N 0 0 316.390 2.083 10 30 DEEERN CCC1(CC)CN(c2nc3ccccn3c2C#N)CC[S@@]1=O ZINC000302231826 529087171 /nfs/dbraw/zinc/08/71/71/529087171.db2.gz YCSGKFOYNGKLRC-JOCHJYFZSA-N 0 0 316.430 2.333 10 30 DEEERN CC[C@@H]1CCC[C@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000377792379 529314710 /nfs/dbraw/zinc/31/47/10/529314710.db2.gz NXEFJNFLWWFDAT-YCPHGPKFSA-N 0 0 304.438 2.337 10 30 DEEERN CCOC(=O)CN(Cc1ccccc1)C(=O)c1ccnc(C#N)c1 ZINC000192964463 535670054 /nfs/dbraw/zinc/67/00/54/535670054.db2.gz FTAOPJUJKZOIGK-UHFFFAOYSA-N 0 0 323.352 2.159 10 30 DEEERN CC(=O)CCc1ccc(OCC(=O)O[C@@H](C#N)C2CC2)cc1 ZINC000177041623 625622404 /nfs/dbraw/zinc/62/24/04/625622404.db2.gz DSXUYHKOQJWGKY-INIZCTEOSA-N 0 0 301.342 2.432 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)Nc1nccc(N2CCOCC2)n1 ZINC000804807506 623250714 /nfs/dbraw/zinc/25/07/14/623250714.db2.gz HECWLFNEQPXLQZ-KRWDZBQOSA-N 0 0 322.412 2.360 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)OCCn1c2ccccc2oc1=O ZINC000188538770 623526135 /nfs/dbraw/zinc/52/61/35/623526135.db2.gz YDDHYOZFDXDQAZ-KRWDZBQOSA-N 0 0 319.357 2.367 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)NC/C=C\c2ccccc2)c1 ZINC000255465208 624782635 /nfs/dbraw/zinc/78/26/35/624782635.db2.gz YMMFGJDSENNAFZ-XFFZJAGNSA-N 0 0 304.349 2.436 10 30 DEEERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccc(CC#N)cc2)C1 ZINC000888077765 625056952 /nfs/dbraw/zinc/05/69/52/625056952.db2.gz UARNFYIARKHQJH-HUUCEWRRSA-N 0 0 310.357 2.078 10 30 DEEERN C#CC[C@H](OC(=O)[C@@H](C)Sc1nnnn1C1CC1)C(C)C ZINC000177725082 625070455 /nfs/dbraw/zinc/07/04/55/625070455.db2.gz NBJSRMZXKAMDAA-PWSUYJOCSA-N 0 0 308.407 2.080 10 30 DEEERN CC[C@@H](C#N)OC(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000180078391 625175277 /nfs/dbraw/zinc/17/52/77/625175277.db2.gz RKUBVLOJCDXZPV-AWEZNQCLSA-N 0 0 319.380 2.427 10 30 DEEERN C=CCNC(=O)[C@@H](C)OC(=O)/C=C/c1ccnc2ccccc12 ZINC000735554125 633518872 /nfs/dbraw/zinc/51/88/72/633518872.db2.gz OZIZJXZGQXDTBV-MMQHEFTJSA-N 0 0 310.353 2.482 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)CN1CCOC1=S ZINC000063275460 633567241 /nfs/dbraw/zinc/56/72/41/633567241.db2.gz PXMCQQNNMFNYQQ-UHFFFAOYSA-N 0 0 307.375 2.157 10 30 DEEERN C#CCN(C1CCCC1)S(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000178426173 633772712 /nfs/dbraw/zinc/77/27/12/633772712.db2.gz SJYWWWGIQWBMRW-UHFFFAOYSA-N 0 0 323.414 2.270 10 30 DEEERN CCN1CCCC[C@@H]1C(=O)OCC#Cc1cccc(OC)c1 ZINC000126214382 636231131 /nfs/dbraw/zinc/23/11/31/636231131.db2.gz XWNBHAAIRPCKQT-QGZVFWFLSA-N 0 0 301.386 2.464 10 30 DEEERN C=CCNC(=S)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000726494756 636437703 /nfs/dbraw/zinc/43/77/03/636437703.db2.gz WFKASICORGOCHL-ZDUSSCGKSA-N 0 0 305.447 2.172 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc[n+]([O-])c1 ZINC000063250562 637550743 /nfs/dbraw/zinc/55/07/43/637550743.db2.gz CZZXOISLSSBDLB-UHFFFAOYSA-N 0 0 313.313 2.057 10 30 DEEERN C#CCCCOC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000727039053 637593878 /nfs/dbraw/zinc/59/38/78/637593878.db2.gz HHDVWRYKDSMPPQ-GFCCVEGCSA-N 0 0 307.296 2.274 10 30 DEEERN Cc1ccc(NN=C2c3cc4c(cc3NC2=O)OCCCO4)nc1 ZINC000727259553 637798427 /nfs/dbraw/zinc/79/84/27/637798427.db2.gz GNCNDJSMNPQCCO-UHFFFAOYSA-N 0 0 324.340 2.320 10 30 DEEERN C#CCOc1ccc(C(=O)N[C@@](C)(COC)C(F)(F)F)cc1 ZINC000742900839 638103220 /nfs/dbraw/zinc/10/32/20/638103220.db2.gz UWXAAFYBWZNQRR-AWEZNQCLSA-N 0 0 315.291 2.396 10 30 DEEERN COc1ccc(CNc2ccc(C(=O)N(C)C)cn2)cc1C#N ZINC000746711368 638371151 /nfs/dbraw/zinc/37/11/51/638371151.db2.gz TYOTYDMPOISLFU-UHFFFAOYSA-N 0 0 310.357 2.276 10 30 DEEERN COc1ccc(CNC(=O)NCCCOCC(C)C)cc1C#N ZINC000746703580 638371311 /nfs/dbraw/zinc/37/13/11/638371311.db2.gz MBQAIGYDCJUVJQ-UHFFFAOYSA-N 0 0 319.405 2.429 10 30 DEEERN COc1ccc(CNC(=O)N(C)Cc2nccs2)cc1C#N ZINC000746773305 638376257 /nfs/dbraw/zinc/37/62/57/638376257.db2.gz UESUZISWXGTXDW-UHFFFAOYSA-N 0 0 316.386 2.365 10 30 DEEERN COc1ccc(CNC(=O)[C@@H]2COc3ccccc3C2)cc1C#N ZINC000746877226 638383878 /nfs/dbraw/zinc/38/38/78/638383878.db2.gz OWZRDMYRHGARQZ-INIZCTEOSA-N 0 0 322.364 2.434 10 30 DEEERN COc1ccc(C(=O)NCc2ccc(OC)c(C#N)c2)c(O)c1 ZINC000747071564 638404589 /nfs/dbraw/zinc/40/45/89/638404589.db2.gz ZHMZTTDDSMKQLU-UHFFFAOYSA-N 0 0 312.325 2.211 10 30 DEEERN CC(C)c1cn(CN2CCN(C3CC3)[C@@H](C#N)C2)c(=S)n1C ZINC000747456923 638439759 /nfs/dbraw/zinc/43/97/59/638439759.db2.gz ORNAUFHYPWKWRI-AWEZNQCLSA-N 0 0 319.478 2.309 10 30 DEEERN C#Cc1ccc(C(=O)NCc2cc(=O)[nH]c3ccccc23)nc1 ZINC000748329740 638542475 /nfs/dbraw/zinc/54/24/75/638542475.db2.gz JJCXBOIUIFIRTF-UHFFFAOYSA-N 0 0 303.321 2.247 10 30 DEEERN CS(=O)(=O)c1cccc(OC(=O)Cc2cccc(C#N)c2)c1 ZINC000749322784 638635417 /nfs/dbraw/zinc/63/54/17/638635417.db2.gz JJMQBQJJSHHCME-UHFFFAOYSA-N 0 0 315.350 2.110 10 30 DEEERN Cc1cc(C(=O)COC(=O)Cc2cccc(C#N)c2)c(C)n1C ZINC000750434590 638744849 /nfs/dbraw/zinc/74/48/49/638744849.db2.gz YOMOXHMUEMNMGA-UHFFFAOYSA-N 0 0 310.353 2.482 10 30 DEEERN N#CC1(NC(=O)COC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CCCCC1 ZINC000750903566 639042509 /nfs/dbraw/zinc/04/25/09/639042509.db2.gz CPFVIMNXKDZZEO-NHAGDIPZSA-N 0 0 304.390 2.308 10 30 DEEERN C=C(COC(=O)c1cc(-c2ccccn2)no1)C(=O)OCC ZINC000750951663 639047715 /nfs/dbraw/zinc/04/77/15/639047715.db2.gz CLGBPXFPCNGCTD-UHFFFAOYSA-N 0 0 302.286 2.013 10 30 DEEERN C#CCN(CC#C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000752074463 639153620 /nfs/dbraw/zinc/15/36/20/639153620.db2.gz BVXRTXNDTWBSRW-GFCCVEGCSA-N 0 0 312.196 2.302 10 30 DEEERN Brc1cnn(N=Cc2ccc(-n3cncn3)cc2)c1 ZINC000752747591 639215364 /nfs/dbraw/zinc/21/53/64/639215364.db2.gz QXRUJTTUEOBNJR-UHFFFAOYSA-N 0 0 317.150 2.109 10 30 DEEERN C#Cc1ccc(C(=O)NCCCc2ccc(OC)c(OC)c2)nc1 ZINC000728819031 639444121 /nfs/dbraw/zinc/44/41/21/639444121.db2.gz SRWWQWHKZPMFPG-UHFFFAOYSA-N 0 0 324.380 2.443 10 30 DEEERN C=CCCCCCCNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000805104194 639709917 /nfs/dbraw/zinc/70/99/17/639709917.db2.gz MMMHDRGFKDBPQB-OKILXGFUSA-N 0 0 304.456 2.067 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1cccc(C(=O)OCC)c1)C(C)(C)C ZINC000805146491 639839600 /nfs/dbraw/zinc/83/96/00/639839600.db2.gz IRYYPYQVRZVXFI-CQSZACIVSA-N 0 0 323.414 2.190 10 30 DEEERN C#Cc1ccc(C(=O)OCc2cnn(-c3ccccc3)n2)nc1 ZINC000729007040 639840535 /nfs/dbraw/zinc/84/05/35/639840535.db2.gz PNWINRHGCDMLIG-UHFFFAOYSA-N 0 0 304.309 2.001 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1C)C(C)(C)C ZINC000805149166 639849667 /nfs/dbraw/zinc/84/96/67/639849667.db2.gz XXQDYZKPODZTFG-CQSZACIVSA-N 0 0 323.414 2.108 10 30 DEEERN C[C@@H]1OCC[C@@H]1SCCS(=O)(=O)c1cccc(C#N)c1 ZINC000163469571 640640844 /nfs/dbraw/zinc/64/08/44/640640844.db2.gz IPXKJZPTBRDGNE-FZMZJTMJSA-N 0 0 311.428 2.243 10 30 DEEERN C=CCCCNC(=O)N1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000805392663 641281534 /nfs/dbraw/zinc/28/15/34/641281534.db2.gz LIJLTJFCTDKKHZ-UHFFFAOYSA-N 0 0 301.390 2.319 10 30 DEEERN C=C(C)[C@H](CC(=O)O[C@H](C)C(=O)NCc1ccccn1)OCC ZINC000805953078 643942135 /nfs/dbraw/zinc/94/21/35/643942135.db2.gz JGHFSWOUHZVKIT-HIFRSBDPSA-N 0 0 320.389 2.001 10 30 DEEERN C#CCN(C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C1CCCC1 ZINC000155640491 645123887 /nfs/dbraw/zinc/12/38/87/645123887.db2.gz UNFAHORMILWDEI-ZDUSSCGKSA-N 0 0 324.380 2.076 10 30 DEEERN COC(=O)c1ccoc1C(=O)OCc1ccc(OCC#N)cc1 ZINC000800265481 645248194 /nfs/dbraw/zinc/24/81/94/645248194.db2.gz ZCPCFVJIXHSWRD-UHFFFAOYSA-N 0 0 315.281 2.326 10 30 DEEERN C=C(C)CCOC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000174802231 645250359 /nfs/dbraw/zinc/25/03/59/645250359.db2.gz OLDNSDHSYZZDGW-UHFFFAOYSA-N 0 0 302.290 2.299 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)COc1ccsc1 ZINC000800307632 645256190 /nfs/dbraw/zinc/25/61/90/645256190.db2.gz XAASQTRBAZWXEW-LBPRGKRZSA-N 0 0 311.403 2.483 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)N2CCCC[C@@H]2C(F)F)c1 ZINC000800647195 645293869 /nfs/dbraw/zinc/29/38/69/645293869.db2.gz QUBURGMGJFLDBJ-CYBMUJFWSA-N 0 0 306.312 2.253 10 30 DEEERN N#Cc1ccc(C(=O)N2CCO[C@@H](C(F)F)C2)cc1Cl ZINC000801008221 645328784 /nfs/dbraw/zinc/32/87/84/645328784.db2.gz AFSSWFRXGSVQID-LLVKDONJSA-N 0 0 300.692 2.318 10 30 DEEERN CC#CC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000801171107 645347900 /nfs/dbraw/zinc/34/79/00/645347900.db2.gz YDAJNTJDYZCAHP-UHFFFAOYSA-N 0 0 318.423 2.271 10 30 DEEERN N#Cc1cccc(-c2nnc(CN3CCO[C@@H](C(F)F)C3)o2)c1 ZINC000801559462 645414780 /nfs/dbraw/zinc/41/47/80/645414780.db2.gz JKACXPRTXZHTMQ-GFCCVEGCSA-N 0 0 320.299 2.074 10 30 DEEERN C#CCOCCNC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000801690646 645430248 /nfs/dbraw/zinc/43/02/48/645430248.db2.gz HDCCEUJOKMAUQL-AWEZNQCLSA-N 0 0 301.386 2.395 10 30 DEEERN CC(C)[C@@H](C#N)OC(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000802064560 645477223 /nfs/dbraw/zinc/47/72/23/645477223.db2.gz VMOKGSPLFCQACP-GFCCVEGCSA-N 0 0 305.334 2.137 10 30 DEEERN C#CCC[C@@H](O)CNC(=O)NCC1CC(c2ccccc2)C1 ZINC000802508385 645531140 /nfs/dbraw/zinc/53/11/40/645531140.db2.gz YXVLTXHDXMRCMW-BDVYOWHSSA-N 0 0 300.402 2.254 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000802602634 645535873 /nfs/dbraw/zinc/53/58/73/645535873.db2.gz LVEHYFGFIJACDH-HNNXBMFYSA-N 0 0 314.437 2.154 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)OC)cn1 ZINC000803524059 645669033 /nfs/dbraw/zinc/66/90/33/645669033.db2.gz MZFMKTLOSKDSAK-MRXNPFEDSA-N 0 0 322.364 2.233 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000803698696 645681548 /nfs/dbraw/zinc/68/15/48/645681548.db2.gz WXVXANGGJAODBM-NPCAHTBFSA-N 0 0 303.402 2.276 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)NCC1CCCCC1 ZINC000803699074 645681690 /nfs/dbraw/zinc/68/16/90/645681690.db2.gz POISYUFXEFMFLC-AWEZNQCLSA-N 0 0 303.402 2.277 10 30 DEEERN C#CCC(CC#C)C(=O)OCCCc1nc(-c2ccncc2)no1 ZINC000803698576 645681869 /nfs/dbraw/zinc/68/18/69/645681869.db2.gz CCSGKUDWZIFAIP-UHFFFAOYSA-N 0 0 323.352 2.270 10 30 DEEERN C#CCC(CC#C)C(=O)OCC1CCN(C(=O)C(C)(C)C)CC1 ZINC000803701039 645682520 /nfs/dbraw/zinc/68/25/20/645682520.db2.gz JCBGTTQPYRSHFQ-UHFFFAOYSA-N 0 0 317.429 2.477 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)Nc1ccc(Cl)cc1 ZINC000803699996 645682592 /nfs/dbraw/zinc/68/25/92/645682592.db2.gz YKRKKVPBZOAYQZ-UHFFFAOYSA-N 0 0 303.745 2.485 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000803700547 645682625 /nfs/dbraw/zinc/68/26/25/645682625.db2.gz VBRWYKODTTZTHL-ZBFHGGJFSA-N 0 0 303.402 2.230 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000803701033 645682656 /nfs/dbraw/zinc/68/26/56/645682656.db2.gz JAUTXDHIJNQGKZ-UHFFFAOYSA-N 0 0 319.320 2.314 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000803700171 645682821 /nfs/dbraw/zinc/68/28/21/645682821.db2.gz FDNJFDGMULMNLV-SFHVURJKSA-N 0 0 323.392 2.384 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]4C[C@H]43)cc2C1=O ZINC000804293212 645750881 /nfs/dbraw/zinc/75/08/81/645750881.db2.gz KYCLBLUGPDSSTK-XHDPSFHLSA-N 0 0 310.353 2.093 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CNc1ccc(C#N)cn1 ZINC000804455472 645774118 /nfs/dbraw/zinc/77/41/18/645774118.db2.gz WJWKKMLVIWRYAK-QGZVFWFLSA-N 0 0 318.380 2.116 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1c(C)nn2cccnc12 ZINC000804455473 645774258 /nfs/dbraw/zinc/77/42/58/645774258.db2.gz HNWVMTDSXGIGLX-MRXNPFEDSA-N 0 0 318.380 2.402 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C1(C(=O)OCC)CCC1 ZINC000804453944 645774276 /nfs/dbraw/zinc/77/42/76/645774276.db2.gz LKBJAIZZLNDZRC-INIZCTEOSA-N 0 0 313.397 2.471 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1COC(C)(C)O1 ZINC000807098324 645911265 /nfs/dbraw/zinc/91/12/65/645911265.db2.gz VUAXENLNFPCGOX-HZPDHXFCSA-N 0 0 316.401 2.072 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCC[C@H](O)CC ZINC000807465606 645953259 /nfs/dbraw/zinc/95/32/59/645953259.db2.gz DCMYGHFUGHZTQJ-IAGOWNOFSA-N 0 0 302.418 2.471 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(CCO)CC1CC1 ZINC000807467441 645954117 /nfs/dbraw/zinc/95/41/17/645954117.db2.gz QNYJOQNYYPIJSE-KRWDZBQOSA-N 0 0 300.402 2.035 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC000807466452 645954748 /nfs/dbraw/zinc/95/47/48/645954748.db2.gz BEHFPDLRDUVGIQ-CABCVRRESA-N 0 0 322.355 2.033 10 30 DEEERN CC(N=Nc1ccc(-n2cccn2)nn1)c1cn2c(n1)CCCC2 ZINC000807963653 646013383 /nfs/dbraw/zinc/01/33/83/646013383.db2.gz FTBGFSDEQMBQRP-UHFFFAOYSA-N 0 0 322.376 2.031 10 30 DEEERN CCc1nnc([C@]23CCC[C@H]2CN(c2ccncc2C#N)C3)o1 ZINC000912367553 646044752 /nfs/dbraw/zinc/04/47/52/646044752.db2.gz HCORXZARCRYIES-GUYCJALGSA-N 0 0 309.373 2.457 10 30 DEEERN C=CCn1cnc2oc(C)c(C(=O)N3CCCC[C@H]3C)c2c1=O ZINC000222766254 646465600 /nfs/dbraw/zinc/46/56/00/646465600.db2.gz UJOGLLSOTRELMY-LLVKDONJSA-N 0 0 315.373 2.499 10 30 DEEERN C#CCOC(=O)c1cc(C)ccc1I ZINC000170710139 646659318 /nfs/dbraw/zinc/65/93/18/646659318.db2.gz HRCZTELBRWUFAD-UHFFFAOYSA-N 0 0 300.095 2.390 10 30 DEEERN C#C[C@@H](OC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)C1CC1 ZINC000152655479 647243834 /nfs/dbraw/zinc/24/38/34/647243834.db2.gz XQZYDOWYWXINBQ-UONOGXRCSA-N 0 0 307.415 2.033 10 30 DEEERN N#Cc1ccc(N2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)cc1 ZINC000818144106 647425083 /nfs/dbraw/zinc/42/50/83/647425083.db2.gz CBEZZTDPJHIAGU-SFHVURJKSA-N 0 0 324.384 2.393 10 30 DEEERN C=C(Br)CN1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000732412775 647578844 /nfs/dbraw/zinc/57/88/44/647578844.db2.gz WQGSEVLTESMRSN-LBPRGKRZSA-N 0 0 301.228 2.229 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CCN1C1CC1 ZINC000732665212 647637141 /nfs/dbraw/zinc/63/71/41/647637141.db2.gz VTDZDGPUPHIWAL-CQSZACIVSA-N 0 0 312.348 2.119 10 30 DEEERN Cc1nc(C2CCCC2)sc1C(=O)n1ncc(C#N)c1N ZINC000175705989 648359176 /nfs/dbraw/zinc/35/91/76/648359176.db2.gz JYIPINGTDGCGIN-UHFFFAOYSA-N 0 0 301.375 2.448 10 30 DEEERN C=C[C@H](CC)OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000181222565 648584997 /nfs/dbraw/zinc/58/49/97/648584997.db2.gz BEKLZRKVZIHRRQ-UHXUPSOCSA-N 0 0 312.435 2.220 10 30 DEEERN C=C[C@@H](CC)OC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000181235146 648589940 /nfs/dbraw/zinc/58/99/40/648589940.db2.gz DEFWZYVUDGYCHP-ZDUSSCGKSA-N 0 0 309.387 2.130 10 30 DEEERN CC(C)(C)[C@@H](C#N)OC(=O)CCS(=O)(=O)C1CCCC1 ZINC000181988862 648800879 /nfs/dbraw/zinc/80/08/79/648800879.db2.gz JFCFUXPQLYRWPI-GFCCVEGCSA-N 0 0 301.408 2.215 10 30 DEEERN CC(C)(C)[C@H](C#N)OC(=O)CCS(=O)(=O)C1CCCC1 ZINC000181988879 648800948 /nfs/dbraw/zinc/80/09/48/648800948.db2.gz JFCFUXPQLYRWPI-LBPRGKRZSA-N 0 0 301.408 2.215 10 30 DEEERN C[C@H](C#N)CNC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000182603973 648951028 /nfs/dbraw/zinc/95/10/28/648951028.db2.gz PRLHHKCTMYAQSE-CYBMUJFWSA-N 0 0 314.389 2.162 10 30 DEEERN N#CC1(COC(=O)c2ccc(-c3ncon3)cc2)CCOCC1 ZINC000183942995 649203495 /nfs/dbraw/zinc/20/34/95/649203495.db2.gz NHDWCJJNWMJTEG-UHFFFAOYSA-N 0 0 313.313 2.214 10 30 DEEERN C#CCCNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000733247343 649463352 /nfs/dbraw/zinc/46/33/52/649463352.db2.gz PTPLDUKHFGMJFF-UHFFFAOYSA-N 0 0 318.174 2.388 10 30 DEEERN C#CCCNC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000733366548 649555475 /nfs/dbraw/zinc/55/54/75/649555475.db2.gz JUSYTXLQUBTAHC-UHFFFAOYSA-N 0 0 320.805 2.027 10 30 DEEERN C#CC[C@@H](OC(=O)[C@H]1CCCN(C(=O)CC)C1)c1ccccn1 ZINC000105549659 651137713 /nfs/dbraw/zinc/13/77/13/651137713.db2.gz AUVIJMAXFATASV-GOEBONIOSA-N 0 0 314.385 2.338 10 30 DEEERN C#CCOc1ccccc1[C@@H](C)OC(=O)CNC(=O)CCC ZINC000107059616 651411238 /nfs/dbraw/zinc/41/12/38/651411238.db2.gz FXUWLPKOPDLAAA-CYBMUJFWSA-N 0 0 303.358 2.219 10 30 DEEERN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](C#N)C1CC1 ZINC000108829929 651721050 /nfs/dbraw/zinc/72/10/50/651721050.db2.gz HFOLBABJEJQLJN-DLBZAZTESA-N 0 0 309.369 2.369 10 30 DEEERN COc1ccccc1[C@@H](O)CNC(=O)CCc1ccc(C#N)cc1 ZINC000041450094 683890047 /nfs/dbraw/zinc/89/00/47/683890047.db2.gz UEYKSLOYEBUGPP-KRWDZBQOSA-N 0 0 324.380 2.349 10 30 DEEERN Cc1ccc(N2C[C@H](C(=O)O[C@@H](C#N)C(C)C)CC2=O)cc1 ZINC000080386153 683981947 /nfs/dbraw/zinc/98/19/47/683981947.db2.gz ATUPTWIIIBGUHL-HIFRSBDPSA-N 0 0 300.358 2.439 10 30 DEEERN C#Cc1cccc(NC(=O)N2CCN(CCOCC)[C@H](C)C2)c1 ZINC000117440124 684069044 /nfs/dbraw/zinc/06/90/44/684069044.db2.gz GHRPVDUGOVSIMQ-OAHLLOKOSA-N 0 0 315.417 2.242 10 30 DEEERN C#CCCCOC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000119278710 684079289 /nfs/dbraw/zinc/07/92/89/684079289.db2.gz XQFUNQSWMAZQRG-GDBMZVCRSA-N 0 0 303.333 2.302 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)[C@H](C)C1CCOCC1 ZINC000123436558 684125329 /nfs/dbraw/zinc/12/53/29/684125329.db2.gz CBVISQWIWPYSRM-CYBMUJFWSA-N 0 0 314.385 2.051 10 30 DEEERN C#CC[C@@H](OC(=O)CN(C)[C@@H]1CCSC1)c1ccccn1 ZINC000125478782 684145660 /nfs/dbraw/zinc/14/56/60/684145660.db2.gz JGVVADMUHPDPMN-UKRRQHHQSA-N 0 0 304.415 2.127 10 30 DEEERN COc1ccc(CCCC(=O)[C@@H](C#N)C(=O)N2CCCC2)cc1 ZINC000127874021 684166507 /nfs/dbraw/zinc/16/65/07/684166507.db2.gz DNUPSLSKEMAPAQ-MRXNPFEDSA-N 0 0 314.385 2.349 10 30 DEEERN C=CCNC(=S)N1CCc2cc(OC)c(OC)cc2CC1 ZINC000139010513 684249120 /nfs/dbraw/zinc/24/91/20/684249120.db2.gz MMFYIBVGSZJIOK-UHFFFAOYSA-N 0 0 306.431 2.165 10 30 DEEERN C#CC[C@H](OC(=O)CC1(CS(C)(=O)=O)CC1)C(C)(C)C ZINC000159835517 684321582 /nfs/dbraw/zinc/32/15/82/684321582.db2.gz SZSVEESEFCVQSA-LBPRGKRZSA-N 0 0 300.420 2.183 10 30 DEEERN CC[C@H](CC#N)OC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 ZINC000188083181 684349083 /nfs/dbraw/zinc/34/90/83/684349083.db2.gz IMBZUSQQXLGKDP-VIIAAUOXSA-N 0 0 322.386 2.307 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)Cc1[nH]nc2c1CCCC2 ZINC000188843255 684364420 /nfs/dbraw/zinc/36/44/20/684364420.db2.gz MSDCGNDBSCNLFG-UHFFFAOYSA-N 0 0 301.312 2.408 10 30 DEEERN C=CCn1nnn(CN2CC3(CCCC3)OC(C)(C)C2)c1=S ZINC000190477960 684407009 /nfs/dbraw/zinc/40/70/09/684407009.db2.gz DNUAXEOQQRABRD-UHFFFAOYSA-N 0 0 323.466 2.376 10 30 DEEERN C#CCCCC(=O)O[C@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000191181171 684422804 /nfs/dbraw/zinc/42/28/04/684422804.db2.gz SIRHJVASWSMNFZ-HNNXBMFYSA-N 0 0 301.390 2.409 10 30 DEEERN C=C[C@H](CC)OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21 ZINC000245827885 685119159 /nfs/dbraw/zinc/11/91/59/685119159.db2.gz BEKLZRKVZIHRRQ-OWTLIXCDSA-N 0 0 312.435 2.220 10 30 DEEERN COc1ccc(C=C(C)C(O)=C(C#N)C(=O)NC(C)C)cc1F ZINC000588447677 777210376 /nfs/dbraw/zinc/21/03/76/777210376.db2.gz PCOWGZBAJGHVJQ-LWMSPQMPSA-N 0 0 318.348 2.471 10 30 DEEERN Cc1c(C(=O)OCc2cc(Cl)ccc2OCC#N)nnn1C ZINC000745163874 784689461 /nfs/dbraw/zinc/68/94/61/784689461.db2.gz ONQYNKWBIUNERW-UHFFFAOYSA-N 0 0 320.736 2.036 10 30 DEEERN C=CCNC(=O)N1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000585932881 791862763 /nfs/dbraw/zinc/86/27/63/791862763.db2.gz LHYGOYANVQGNAN-CQSZACIVSA-N 0 0 321.808 2.430 10 30 DEEERN CC[C@](C)(C#N)C(=O)NCc1ncc(Br)s1 ZINC000714616995 792321059 /nfs/dbraw/zinc/32/10/59/792321059.db2.gz APMFSERBTSEIPL-SNVBAGLBSA-N 0 0 302.197 2.462 10 30 DEEERN C[C@@H](CNc1ncc(C#N)cc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000715937770 792537543 /nfs/dbraw/zinc/53/75/43/792537543.db2.gz BWJDKDFTUFGSNO-SNVBAGLBSA-N 0 0 306.322 2.063 10 30 DEEERN C#CC[C@@H](COC)NC(=O)c1cc(Cl)c(Cl)nc1C ZINC000716830673 793008244 /nfs/dbraw/zinc/00/82/44/793008244.db2.gz XHLYVBGTJZDAGB-VIFPVBQESA-N 0 0 301.173 2.465 10 30 DEEERN C#CC[C@@H](COC)NC(=O)Cc1ccccc1Br ZINC000716812406 793009107 /nfs/dbraw/zinc/00/91/07/793009107.db2.gz UDJKTMRXZMVDQW-LBPRGKRZSA-N 0 0 310.191 2.146 10 30 DEEERN C#CC[C@H](COC)NC(=O)c1cc(Br)cn1CC ZINC000716850004 793009558 /nfs/dbraw/zinc/00/95/58/793009558.db2.gz WALYTYPNHNTXDC-LLVKDONJSA-N 0 0 313.195 2.039 10 30 DEEERN N#Cc1cc(Br)cn(C[C@@H]2C[C@H]3CCC[C@@H]3O2)c1=O ZINC000720884188 1086500675 /nfs/dbraw/zinc/50/06/75/1086500675.db2.gz ZAMWPGTYPACJCE-ICCXJUOJSA-N 0 0 323.190 2.440 10 30 DEEERN C#C[C@H](CO)NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000718172068 1088397882 /nfs/dbraw/zinc/39/78/82/1088397882.db2.gz HLRSRSWMWUQJRF-SSDOTTSWSA-N 0 0 322.575 2.136 10 30 DEEERN CC[C@H](CSC)N(C)S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720039530 1089428804 /nfs/dbraw/zinc/42/88/04/1089428804.db2.gz TULSINGGDGJERV-GFCCVEGCSA-N 0 0 316.423 2.459 10 30 DEEERN CC1(C)CN(S(=O)(=O)c2cc(F)cc(C#N)c2)CCS1 ZINC000720038934 1089429126 /nfs/dbraw/zinc/42/91/26/1089429126.db2.gz SKFTTWCJHITMQX-UHFFFAOYSA-N 0 0 314.407 2.213 10 30 DEEERN C[C@H]1CSCCN(S(=O)(=O)c2cc(F)cc(C#N)c2)C1 ZINC000720079402 1089460356 /nfs/dbraw/zinc/46/03/56/1089460356.db2.gz SRGQJEWPHYPDJT-SNVBAGLBSA-N 0 0 314.407 2.071 10 30 DEEERN C=CCOCC(=O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000357422424 1144141498 /nfs/dbraw/zinc/14/14/98/1144141498.db2.gz OBLNHTGEDBWFPX-UHFFFAOYSA-N 0 0 317.311 2.337 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CCC(C)(C)O2)c1 ZINC000278250960 214048145 /nfs/dbraw/zinc/04/81/45/214048145.db2.gz MKIJPRYXVRFFPI-HNNXBMFYSA-N 0 0 314.385 2.022 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000624811315 365558123 /nfs/dbraw/zinc/55/81/23/365558123.db2.gz COAXRKZOTYPBSL-OCCNTAHWSA-N 0 0 306.793 2.214 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)COCc1ccc(OC)nc1 ZINC000624859762 365572671 /nfs/dbraw/zinc/57/26/71/365572671.db2.gz HVAPXIUVRXXQAQ-UHFFFAOYSA-N 0 0 318.295 2.184 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000076853638 185047360 /nfs/dbraw/zinc/04/73/60/185047360.db2.gz ATFRTMUMQKWGKK-UHFFFAOYSA-N 0 0 314.363 2.190 10 30 DEEERN C=C(C)Cn1c(CC2CC2)nnc1N1CCO[C@@H](CCF)C1 ZINC000624980716 365606624 /nfs/dbraw/zinc/60/66/24/365606624.db2.gz XUOIXFJEOONDJD-AWEZNQCLSA-N 0 0 308.401 2.372 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@](C)(O)c1ccccc1Cl ZINC000278492512 214189010 /nfs/dbraw/zinc/18/90/10/214189010.db2.gz YZTUVEQTLGEOJW-QGZVFWFLSA-N 0 0 303.789 2.327 10 30 DEEERN N#C[C@@H]1CCCCN1S(=O)(=O)c1cccc2ncccc21 ZINC000163234858 197618407 /nfs/dbraw/zinc/61/84/07/197618407.db2.gz MUHBFJHDDKEBLC-LBPRGKRZSA-N 0 0 301.371 2.302 10 30 DEEERN COc1cc(C=NNc2ccccn2)cc([N+](=O)[O-])c1OC ZINC000082253080 185174591 /nfs/dbraw/zinc/17/45/91/185174591.db2.gz IXRSQNVHRCKULD-CXUHLZMHSA-N 0 0 302.290 2.453 10 30 DEEERN N#Cc1cccc(C(=O)N2CCc3nc4ccccn4c3C2)c1 ZINC000082356276 185177587 /nfs/dbraw/zinc/17/75/87/185177587.db2.gz GITGFQIKYMELHN-UHFFFAOYSA-N 0 0 302.337 2.404 10 30 DEEERN CC[C@@H](CC#N)NC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000183869340 529446026 /nfs/dbraw/zinc/44/60/26/529446026.db2.gz FURQPRCQVLLTMZ-HOCLYGCPSA-N 0 0 317.389 2.071 10 30 DEEERN Cc1cc(C#N)ccc1Cn1cc(N)cc(Br)c1=O ZINC000165422193 197675799 /nfs/dbraw/zinc/67/57/99/197675799.db2.gz OZHUZHFDKPPEDY-UHFFFAOYSA-N 0 0 318.174 2.421 10 30 DEEERN CC(C)([NH2+]CC(=O)Nc1sccc1C#N)C(C)(C)C(=O)[O-] ZINC000087626279 185229427 /nfs/dbraw/zinc/22/94/27/185229427.db2.gz VPLYDIVJKQRCEO-UHFFFAOYSA-N 0 0 309.391 2.037 10 30 DEEERN CN1CCN([C@@H](C#N)c2ccc(Br)s2)CC1 ZINC000088045144 185237998 /nfs/dbraw/zinc/23/79/98/185237998.db2.gz QSGRUKIWJDIVNI-VIFPVBQESA-N 0 0 300.225 2.323 10 30 DEEERN COc1ccc(CS(=O)(=O)c2ccccc2N)cc1C#N ZINC000087832590 185232361 /nfs/dbraw/zinc/23/23/61/185232361.db2.gz QOHFKJFDUFZLDX-UHFFFAOYSA-N 0 0 302.355 2.123 10 30 DEEERN CCC(CC)N1C[C@H](C(=O)N2CCC(C)(C#N)CC2)CC1=O ZINC000356983857 282191111 /nfs/dbraw/zinc/19/11/11/282191111.db2.gz WQKRLBGVNNYTLC-CYBMUJFWSA-N 0 0 305.422 2.176 10 30 DEEERN CC[C@H](C#N)S(=O)(=O)NCc1ccc(Br)cc1 ZINC000088474190 185252348 /nfs/dbraw/zinc/25/23/48/185252348.db2.gz DUPYNBLTEHRBSO-LLVKDONJSA-N 0 0 317.208 2.171 10 30 DEEERN Cc1nccn1CCN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000329062994 282207532 /nfs/dbraw/zinc/20/75/32/282207532.db2.gz VEWANHYZZLLCSS-KSSFIOAISA-N 0 0 321.384 2.187 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000613137107 362014902 /nfs/dbraw/zinc/01/49/02/362014902.db2.gz BDVSSUKEIDHRPH-SOUVJXGZSA-N 0 0 310.438 2.167 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCc2cccc(F)c2C1 ZINC000613181354 362030325 /nfs/dbraw/zinc/03/03/25/362030325.db2.gz NNEBTOCZPNPIOA-MRXNPFEDSA-N 0 0 304.365 2.181 10 30 DEEERN C=C[C@@](C)(O)C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000613370851 362093929 /nfs/dbraw/zinc/09/39/29/362093929.db2.gz RNROQKYVAHUMLV-WMLDXEAASA-N 0 0 303.406 2.429 10 30 DEEERN C=C[C@H](O)C(=O)N[C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000613331027 362082442 /nfs/dbraw/zinc/08/24/42/362082442.db2.gz PBASKWLEHQGMRF-HRCADAONSA-N 0 0 324.371 2.152 10 30 DEEERN O=C(NCC#CCOc1cccc(Br)c1)C1CC1 ZINC000090731124 185311591 /nfs/dbraw/zinc/31/15/91/185311591.db2.gz JWFAVDHUOVFFLY-UHFFFAOYSA-N 0 0 308.175 2.358 10 30 DEEERN CC(=O)Nc1cccc(OCC#CCNC(=O)c2ccccc2)c1 ZINC000090731982 185311659 /nfs/dbraw/zinc/31/16/59/185311659.db2.gz YIZDQICSYNAPBC-UHFFFAOYSA-N 0 0 322.364 2.457 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(C(F)(F)F)c(OC)c1 ZINC000613486208 362126474 /nfs/dbraw/zinc/12/64/74/362126474.db2.gz BYRSMWPUTXGCDU-JTQLQIEISA-N 0 0 303.280 2.381 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(C(F)(F)F)ccc1NC ZINC000613490163 362126657 /nfs/dbraw/zinc/12/66/57/362126657.db2.gz VPHNVAVHDHXLGY-JTQLQIEISA-N 0 0 302.296 2.414 10 30 DEEERN C[C@@H]1CC[C@@H](C#N)[C@H](S(=O)(=O)CC(=O)OC(C)(C)C)C1 ZINC000166987659 197702795 /nfs/dbraw/zinc/70/27/95/197702795.db2.gz YDDWQPNTTLGHLK-GRYCIOLGSA-N 0 0 301.408 2.071 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H](OC(C)C)C1(C)C ZINC000613552896 362144951 /nfs/dbraw/zinc/14/49/51/362144951.db2.gz PZPAVWZMEHLJJJ-KKUMJFAQSA-N 0 0 310.438 2.166 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000613668936 362176232 /nfs/dbraw/zinc/17/62/32/362176232.db2.gz DSYZNIJJARHFNK-NHYWBVRUSA-N 0 0 304.394 2.264 10 30 DEEERN C[S@](=O)c1cccc(C(=O)NCc2ccc(C#N)cc2F)c1 ZINC000613706913 362186524 /nfs/dbraw/zinc/18/65/24/362186524.db2.gz CEGJUSWFHSVZTG-QFIPXVFZSA-N 0 0 316.357 2.365 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2c(OC)cccc2OC)C1 ZINC000625354209 365743769 /nfs/dbraw/zinc/74/37/69/365743769.db2.gz INBHNNVFOOVGNF-GFCCVEGCSA-N 0 0 311.403 2.291 10 30 DEEERN CN1CCOc2ccc(NC(=O)N[C@@H]3CCC[C@H]3C#N)cc21 ZINC000408235737 529791834 /nfs/dbraw/zinc/79/18/34/529791834.db2.gz LNECBCCJZHCECS-WCQYABFASA-N 0 0 300.362 2.329 10 30 DEEERN CNC(=O)Cc1nc(CNc2cccc(C#N)c2C)cs1 ZINC000179051897 529874461 /nfs/dbraw/zinc/87/44/61/529874461.db2.gz UUXQJPVPGPSSTL-UHFFFAOYSA-N 0 0 300.387 2.224 10 30 DEEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000272743995 210148368 /nfs/dbraw/zinc/14/83/68/210148368.db2.gz BMCDTBAXXCCOOT-SECBINFHSA-N 0 0 324.764 2.146 10 30 DEEERN Cc1cccnc1CNC(=O)c1sccc1C#CCCO ZINC000111536853 185611619 /nfs/dbraw/zinc/61/16/19/185611619.db2.gz ITWMOAFWORYWNL-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN CC[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(N)cc2C#N)C1 ZINC000068599888 190776903 /nfs/dbraw/zinc/77/69/03/190776903.db2.gz GBHCDZLQBOUTQC-FZMZJTMJSA-N 0 0 307.419 2.388 10 30 DEEERN C=CCCOCC(=O)N[C@@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000616167448 362787132 /nfs/dbraw/zinc/78/71/32/362787132.db2.gz JBVVGFUELFFJEW-KRWDZBQOSA-N 0 0 323.364 2.313 10 30 DEEERN CC(C)[C@H](NC(=O)NCc1ccc(C#N)cc1F)C(C)(C)O ZINC000616231580 362801797 /nfs/dbraw/zinc/80/17/97/362801797.db2.gz DLINGQRSHVKFMU-AWEZNQCLSA-N 0 0 307.369 2.292 10 30 DEEERN C=CCSc1ccccc1C(=O)N[C@H]1CCNC(=O)CC1 ZINC000616356038 362835551 /nfs/dbraw/zinc/83/55/51/362835551.db2.gz AGAZKWAQUVBEGK-GFCCVEGCSA-N 0 0 304.415 2.363 10 30 DEEERN C[C@@H]1CSCCN1C(=O)c1ccc(C#CCCO)c(F)c1 ZINC000070224007 190874057 /nfs/dbraw/zinc/87/40/57/190874057.db2.gz ORHLHOHJSFQISF-GFCCVEGCSA-N 0 0 307.390 2.137 10 30 DEEERN CC(C)CS(=O)(=O)CCCC(=O)Nc1ccc(C#N)cc1 ZINC000084242176 192416035 /nfs/dbraw/zinc/41/60/35/192416035.db2.gz VMQZTXDCAGPYRG-UHFFFAOYSA-N 0 0 308.403 2.348 10 30 DEEERN CC(C)(C)S(=O)(=O)CCCC(=O)Nc1cccc(C#N)c1 ZINC000084241622 192416041 /nfs/dbraw/zinc/41/60/41/192416041.db2.gz NYPJESJYLWFXNH-UHFFFAOYSA-N 0 0 308.403 2.490 10 30 DEEERN N#C[C@@H]1c2cccc(OCc3ccccc3)c2C(=O)N1CCO ZINC000071682696 191007393 /nfs/dbraw/zinc/00/73/93/191007393.db2.gz RPWAFRPOFOZMJE-OAHLLOKOSA-N 0 0 308.337 2.278 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cn(C)nc1C1CC1 ZINC000292010938 222779021 /nfs/dbraw/zinc/77/90/21/222779021.db2.gz IQDIBTMMNLPDPB-IUODEOHRSA-N 0 0 304.394 2.400 10 30 DEEERN CC[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ncc[nH]1 ZINC000139681952 186022818 /nfs/dbraw/zinc/02/28/18/186022818.db2.gz YSMKETCRXCKINM-LBPRGKRZSA-N 0 0 324.793 2.364 10 30 DEEERN C[C@@H]1CCC[C@@H](C)N1NS(=O)(=O)c1cccc(F)c1C#N ZINC000147790247 186042118 /nfs/dbraw/zinc/04/21/18/186042118.db2.gz HUUZRLAIKYSLIA-GHMZBOCLSA-N 0 0 311.382 2.154 10 30 DEEERN O=C(NC[C@@H]1CCCS1)c1cc(F)ccc1C#CCCO ZINC000155934370 186124018 /nfs/dbraw/zinc/12/40/18/186124018.db2.gz LSEAUXVIIHQCPB-AWEZNQCLSA-N 0 0 307.390 2.185 10 30 DEEERN CC(C)(C#N)N1CCN(c2ccncc2Br)CC1 ZINC000163883427 186140926 /nfs/dbraw/zinc/14/09/26/186140926.db2.gz DJYYVUOMKDQVBZ-UHFFFAOYSA-N 0 0 309.211 2.268 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CCC(=O)N1CCC(O)CC1 ZINC000617041797 363007818 /nfs/dbraw/zinc/00/78/18/363007818.db2.gz IYOFQEZTBKXZHS-HOCLYGCPSA-N 0 0 322.449 2.001 10 30 DEEERN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@H]1c1ccco1 ZINC000407974134 295822120 /nfs/dbraw/zinc/82/21/20/295822120.db2.gz CHYYNOLCUCHXRH-STQMWFEESA-N 0 0 311.407 2.285 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCSCC(=O)OC ZINC000595494830 358464676 /nfs/dbraw/zinc/46/46/76/358464676.db2.gz QHYHOJHSWACXRK-CHWSQXEVSA-N 0 0 314.451 2.327 10 30 DEEERN C=CCCC1(CNC(=O)[C@@H](C)CS(C)(=O)=O)CCCC1 ZINC000617417001 363128129 /nfs/dbraw/zinc/12/81/29/363128129.db2.gz HNOYANPZBZWUBA-ZDUSSCGKSA-N 0 0 301.452 2.310 10 30 DEEERN CCOC(=O)C(C)(C)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000072664687 191212405 /nfs/dbraw/zinc/21/24/05/191212405.db2.gz XHUIFPYJVCWYFA-UHFFFAOYSA-N 0 0 314.345 2.040 10 30 DEEERN CCc1ccc([C@@H](C)NC(=O)N2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000328788371 539911128 /nfs/dbraw/zinc/91/11/28/539911128.db2.gz KCLGWPISMLRPBQ-WQVCFCJDSA-N 0 0 304.390 2.324 10 30 DEEERN CNC(=O)CN1CCC(NC(=O)[C@@H]2OCC[C@@H]2C(C)C)CC1 ZINC000329231899 539915257 /nfs/dbraw/zinc/91/52/57/539915257.db2.gz FNINULNKZDXIOC-UKRRQHHQSA-N 0 0 311.426 2.055 10 30 DEEERN C=CCN(C(=O)c1cnc(-c2cnn(C)c2)s1)[C@H](C)COC ZINC000617578568 363194699 /nfs/dbraw/zinc/19/46/99/363194699.db2.gz MTRDOXJTKGGDBU-LLVKDONJSA-N 0 0 320.418 2.207 10 30 DEEERN C=CCN(C(=O)c1cc(-c2ccn(C)c2)n[nH]1)[C@H](C)COC ZINC000617583333 363197396 /nfs/dbraw/zinc/19/73/96/363197396.db2.gz GUFPIJISTWJGSZ-GFCCVEGCSA-N 0 0 302.378 2.078 10 30 DEEERN CC(C)N1CC[C@H](NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)C1=O ZINC000330117653 539934266 /nfs/dbraw/zinc/93/42/66/539934266.db2.gz XHRUTOFPSBEANG-SOUVJXGZSA-N 0 0 317.389 2.125 10 30 DEEERN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H]1c1cnn(C)c1 ZINC000173653935 198236364 /nfs/dbraw/zinc/23/63/64/198236364.db2.gz ULFHUYGJGBBDIA-CXAGYDPISA-N 0 0 323.400 2.456 10 30 DEEERN C#CCSCCNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000173881106 198264036 /nfs/dbraw/zinc/26/40/36/198264036.db2.gz JZPHOOKZJIUUJD-ZIAGYGMSSA-N 0 0 317.410 2.044 10 30 DEEERN C#CCNc1cc(F)c(I)cc1[N+](=O)[O-] ZINC000085107593 192480890 /nfs/dbraw/zinc/48/08/90/192480890.db2.gz SKFQDWDFJZKYFZ-UHFFFAOYSA-N 0 0 320.061 2.384 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)c2cccc(S(N)(=O)=O)c2C)C1 ZINC000617781747 363263593 /nfs/dbraw/zinc/26/35/93/363263593.db2.gz TVIIDELLSFZXLK-CYBMUJFWSA-N 0 0 322.430 2.071 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)Nc3ccncc3)cc2C1=O ZINC000017584098 354041341 /nfs/dbraw/zinc/04/13/41/354041341.db2.gz IDGZQKRBIRFJCW-UHFFFAOYSA-N 0 0 307.309 2.116 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN(C)CC(=O)NC(C)(C)C)c1C ZINC000007659463 354005052 /nfs/dbraw/zinc/00/50/52/354005052.db2.gz ZDNHMWCUXYUTPE-UHFFFAOYSA-N 0 0 319.449 2.320 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2ccccc2OCCC(N)=O)C1 ZINC000626303307 366141200 /nfs/dbraw/zinc/14/12/00/366141200.db2.gz SXYGUUONLITWFA-ZDUSSCGKSA-N 0 0 317.389 2.371 10 30 DEEERN CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CC(CC#N)C2)cc1 ZINC000617896596 363298949 /nfs/dbraw/zinc/29/89/49/363298949.db2.gz WBOYIJVUUVBPBO-CQSZACIVSA-N 0 0 314.385 2.348 10 30 DEEERN Cc1ccn2ncc(C(=O)N(C)Cc3cccc(C#N)c3)c2n1 ZINC000068667298 354825241 /nfs/dbraw/zinc/82/52/41/354825241.db2.gz PQMVRBSZUCZXGV-UHFFFAOYSA-N 0 0 305.341 2.182 10 30 DEEERN C=CCC1(NC(=O)c2cc(-n3ccnc3)ccn2)CCOCC1 ZINC000618249436 363431305 /nfs/dbraw/zinc/43/13/05/363431305.db2.gz SZXNQEKUFAISSL-UHFFFAOYSA-N 0 0 312.373 2.122 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc(N(C)C(C)=O)nc2)C1 ZINC000626590198 366234667 /nfs/dbraw/zinc/23/46/67/366234667.db2.gz VEHLVPBHPHCIGE-CYBMUJFWSA-N 0 0 302.378 2.494 10 30 DEEERN C=C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000360195475 540103027 /nfs/dbraw/zinc/10/30/27/540103027.db2.gz UKGLBNQVRJOQOO-UHFFFAOYSA-N 0 0 306.309 2.441 10 30 DEEERN N#Cc1cccnc1N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000078256048 355249628 /nfs/dbraw/zinc/24/96/28/355249628.db2.gz ATLVSPPPEQSDAF-UHFFFAOYSA-N 0 0 323.356 2.184 10 30 DEEERN C=CCCn1cc(CN(CC)[C@H](C)C(=O)OC(C)(C)C)nn1 ZINC000595605485 358498351 /nfs/dbraw/zinc/49/83/51/358498351.db2.gz JSYWKUQJCNOQMB-CYBMUJFWSA-N 0 0 308.426 2.406 10 30 DEEERN C=CCOc1ccc(CN2CCN(C3CC3)C(=O)C2)cc1OC ZINC000093444692 355682288 /nfs/dbraw/zinc/68/22/88/355682288.db2.gz KCCTUKWZFOTRKJ-UHFFFAOYSA-N 0 0 316.401 2.067 10 30 DEEERN N#CCCN(CCc1ccccc1)C(=S)NC(=O)C1CC1 ZINC000078537665 191880837 /nfs/dbraw/zinc/88/08/37/191880837.db2.gz VQGNJRYRWKBIFR-UHFFFAOYSA-N 0 0 301.415 2.256 10 30 DEEERN CCC(C)(C)NC(=O)CNc1cc(C#N)ccc1OCCOC ZINC000181908768 356100162 /nfs/dbraw/zinc/10/01/62/356100162.db2.gz SMQSIZBIESZDMW-UHFFFAOYSA-N 0 0 319.405 2.300 10 30 DEEERN CC(C)(C)CS(=O)(=O)Nc1ccc(F)cc1C#CCCO ZINC000080192551 192011312 /nfs/dbraw/zinc/01/13/12/192011312.db2.gz GBFWNZUSEDMARO-UHFFFAOYSA-N 0 0 313.394 2.347 10 30 DEEERN Cc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)nc1 ZINC000184263013 356189340 /nfs/dbraw/zinc/18/93/40/356189340.db2.gz PQKMTRAFFUDONP-UHFFFAOYSA-N 0 0 322.372 2.011 10 30 DEEERN N#Cc1cc(I)ncc1OC(F)(F)F ZINC000221481097 356274529 /nfs/dbraw/zinc/27/45/29/356274529.db2.gz QNDQAHDQMLEJNZ-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN C=CCNC(=O)c1ccccc1NCc1nnc(C(C)C)n1C ZINC000194992875 356248231 /nfs/dbraw/zinc/24/82/31/356248231.db2.gz VOBRDMZTCURWIS-UHFFFAOYSA-N 0 0 313.405 2.466 10 30 DEEERN C[C@@H](NC(=O)c1cc(C#N)cn1C)c1ccc2c(c1)OCCO2 ZINC000080943263 192204083 /nfs/dbraw/zinc/20/40/83/192204083.db2.gz DQIBJSNSXOIFAW-LLVKDONJSA-N 0 0 311.341 2.159 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000081011800 192213609 /nfs/dbraw/zinc/21/36/09/192213609.db2.gz RUPQYHUUUADPRV-KGLIPLIRSA-N 0 0 319.430 2.023 10 30 DEEERN CCN1CCN(C(=O)Nc2ccsc2)C[C@@H]1c1nccn1C ZINC000328626377 356462576 /nfs/dbraw/zinc/46/25/76/356462576.db2.gz LQNAQVBGLRPKDK-CYBMUJFWSA-N 0 0 319.434 2.406 10 30 DEEERN CN(C[C@@H]1CCc2nccn2C1)C(=O)NC[C@@H]1CCCS1 ZINC000328625406 356463299 /nfs/dbraw/zinc/46/32/99/356463299.db2.gz KRCBHYUMTQBITG-STQMWFEESA-N 0 0 308.451 2.187 10 30 DEEERN COc1cccc(COc2ccccc2/C=N/NC(N)=S)c1 ZINC000005721011 181276347 /nfs/dbraw/zinc/27/63/47/181276347.db2.gz JWURTEPZIAKTNS-VCHYOVAHSA-N 0 0 315.398 2.441 10 30 DEEERN CN(C)c1ncccc1O[C@H]1CCN(C(=O)NC2CC=CC2)C1 ZINC000328629709 356464031 /nfs/dbraw/zinc/46/40/31/356464031.db2.gz PCDVSKCDWYQLHB-AWEZNQCLSA-N 0 0 316.405 2.233 10 30 DEEERN C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NC2CC=CC2)C1 ZINC000328640242 356466050 /nfs/dbraw/zinc/46/60/50/356466050.db2.gz PXPRBSDDPPUYDZ-MRXNPFEDSA-N 0 0 314.433 2.468 10 30 DEEERN C=CCNC(=O)Cc1noc(-c2sc(C(C)C)nc2C)n1 ZINC000350694876 356559284 /nfs/dbraw/zinc/55/92/84/356559284.db2.gz OENNTUQDAJDTFF-UHFFFAOYSA-N 0 0 306.391 2.470 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000081664960 192308753 /nfs/dbraw/zinc/30/87/53/192308753.db2.gz JZOOGZIWEDLZFO-CQSZACIVSA-N 0 0 308.385 2.153 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000081673933 192310181 /nfs/dbraw/zinc/31/01/81/192310181.db2.gz CGOUROCZQTWFJR-OIBJUYFYSA-N 0 0 320.201 2.359 10 30 DEEERN CC(=O)Nc1cccc2c1CCN(C(=O)c1cc(C#N)cn1C)C2 ZINC000081707538 192315287 /nfs/dbraw/zinc/31/52/87/192315287.db2.gz LSAOBOHUSFUUGS-UHFFFAOYSA-N 0 0 322.368 2.054 10 30 DEEERN C=CCOCCCNC(=O)Cc1c(C)nn(CC2CC2)c1C ZINC000618515191 363512789 /nfs/dbraw/zinc/51/27/89/363512789.db2.gz ARWPIDMTHOKJME-UHFFFAOYSA-N 0 0 305.422 2.161 10 30 DEEERN C=CCCCCCNC(=O)N1CC(=O)N(CCC(F)(F)F)C1 ZINC000578375768 356806695 /nfs/dbraw/zinc/80/66/95/356806695.db2.gz GOWAMRUZPJYLMN-UHFFFAOYSA-N 0 0 321.343 2.497 10 30 DEEERN C=CCSCCNS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000579587196 356999093 /nfs/dbraw/zinc/99/90/93/356999093.db2.gz WWYKHZZWGVGHLQ-UHFFFAOYSA-N 0 0 310.444 2.091 10 30 DEEERN CC#CCCCC(=O)Nc1cc2c(cc1C(=O)OC)OCO2 ZINC000276880794 213151669 /nfs/dbraw/zinc/15/16/69/213151669.db2.gz IJMINGAUGRBRGM-UHFFFAOYSA-N 0 0 303.314 2.334 10 30 DEEERN Cc1nc([C@@](C)(NC(=O)c2cc(C#N)cs2)C2CC2)no1 ZINC000590495276 357551851 /nfs/dbraw/zinc/55/18/51/357551851.db2.gz LWIVZMYZIXFOAS-AWEZNQCLSA-N 0 0 302.359 2.366 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000591976347 357808928 /nfs/dbraw/zinc/80/89/28/357808928.db2.gz RRQHTVPEJOZWKN-DZGCQCFKSA-N 0 0 319.361 2.119 10 30 DEEERN C=CCC[C@H]1NC(=O)N([C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)C1=O ZINC000592464327 357880682 /nfs/dbraw/zinc/88/06/82/357880682.db2.gz ANQYGTXPWKTKGR-FRRDWIJNSA-N 0 0 322.405 2.383 10 30 DEEERN CCOC(=O)[C@H](CC)/C(C)=N/n1c(C)cc(C)c(C#N)c1=O ZINC000005907811 181295259 /nfs/dbraw/zinc/29/52/59/181295259.db2.gz UIZBGDCAIBFOOE-RNEAKCBISA-N 0 0 303.362 2.150 10 30 DEEERN C=CCCn1cc(C[S@](=O)Cc2ccc(COC)cc2)nn1 ZINC000593937686 358174784 /nfs/dbraw/zinc/17/47/84/358174784.db2.gz WOGHGYITAFUYFJ-JOCHJYFZSA-N 0 0 319.430 2.450 10 30 DEEERN C=CCCn1cc(C[S@](=O)c2c(OC)cccc2OC)nn1 ZINC000593941220 358175793 /nfs/dbraw/zinc/17/57/93/358175793.db2.gz OJSVVIUFTOFZHU-QFIPXVFZSA-N 0 0 321.402 2.179 10 30 DEEERN C=CCCn1cc(CN2CCC(CCC(=O)OCC)CC2)nn1 ZINC000593968331 358180041 /nfs/dbraw/zinc/18/00/41/358180041.db2.gz RRKJLPYRUIQTAL-UHFFFAOYSA-N 0 0 320.437 2.410 10 30 DEEERN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cccc2ncnn21 ZINC000618784101 363603054 /nfs/dbraw/zinc/60/30/54/363603054.db2.gz OULGUQUHLFDQOD-CQSZACIVSA-N 0 0 303.325 2.018 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)CCCC(=O)OCC ZINC000594790930 358337146 /nfs/dbraw/zinc/33/71/46/358337146.db2.gz ZGMNVFNVCDXESI-KBPBESRZSA-N 0 0 317.451 2.384 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)N(CC)C[C@@H](C)C#N ZINC000594788388 358337303 /nfs/dbraw/zinc/33/73/03/358337303.db2.gz BEOBSODNUNTQJB-ZNMIVQPWSA-N 0 0 313.467 2.437 10 30 DEEERN C=CCCC1(CNS(=O)(=O)C[C@@H](C)C(=O)OC)CCCC1 ZINC000594799144 358339242 /nfs/dbraw/zinc/33/92/42/358339242.db2.gz OYCQGBSRIALSOX-CYBMUJFWSA-N 0 0 317.451 2.242 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(COC)c(OC)c1 ZINC000627025130 366410585 /nfs/dbraw/zinc/41/05/85/366410585.db2.gz DQYNLSVSBPZEQA-KGLIPLIRSA-N 0 0 306.362 2.307 10 30 DEEERN C=CCC1(NS(=O)(=O)c2ccsc2C#N)CCOCC1 ZINC000594844491 358347778 /nfs/dbraw/zinc/34/77/78/358347778.db2.gz GYUVKZCEKOFCNA-UHFFFAOYSA-N 0 0 312.416 2.023 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595123868 358391949 /nfs/dbraw/zinc/39/19/49/358391949.db2.gz GFPMLTURSISLHT-MRXNPFEDSA-N 0 0 317.414 2.025 10 30 DEEERN C=CC[C@@H]1N(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)CCCC1(C)C ZINC000595183641 358399120 /nfs/dbraw/zinc/39/91/20/358399120.db2.gz PLMVQCSIDWZWQL-KSSFIOAISA-N 0 0 317.433 2.342 10 30 DEEERN C=CCNC(=O)NC(=O)CN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595675599 358519580 /nfs/dbraw/zinc/51/95/80/358519580.db2.gz NGPUFZZMUUNTLK-OAHLLOKOSA-N 0 0 317.389 2.209 10 30 DEEERN C=CCC[C@@H](O)CN(C)[C@@H](C(=O)OC)c1cccc(OC)c1 ZINC000595676455 358519996 /nfs/dbraw/zinc/51/99/96/358519996.db2.gz GDIQADHUBRGNCC-GDBMZVCRSA-N 0 0 307.390 2.168 10 30 DEEERN C=CCOCCCNC(=O)N(C)Cc1ccc(C(=O)OC)cc1 ZINC000595766362 358543822 /nfs/dbraw/zinc/54/38/22/358543822.db2.gz GLQSESBXLLEPNV-UHFFFAOYSA-N 0 0 320.389 2.207 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000181198189 199264719 /nfs/dbraw/zinc/26/47/19/199264719.db2.gz IQBYPWFTHYPRSB-IUODEOHRSA-N 0 0 301.390 2.226 10 30 DEEERN C=CCOCCCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000596472825 358693882 /nfs/dbraw/zinc/69/38/82/358693882.db2.gz KWOQQEFIYGUUFO-UHFFFAOYSA-N 0 0 304.306 2.248 10 30 DEEERN C=CCOCCCNC(=O)Nc1cc(C(=O)OCC)cnc1C ZINC000596813732 358767262 /nfs/dbraw/zinc/76/72/62/358767262.db2.gz ITUQKSZUFCPREK-UHFFFAOYSA-N 0 0 321.377 2.281 10 30 DEEERN C=CCCSCCNC(=O)Nc1cc(C)nnc1N(C)C ZINC000596977626 358798732 /nfs/dbraw/zinc/79/87/32/358798732.db2.gz MJSQLFSQIUPFNH-UHFFFAOYSA-N 0 0 309.439 2.282 10 30 DEEERN C=CCCC1(CNC(=O)C(=O)N[C@H](C)CSC)CCCC1 ZINC000597286473 358878843 /nfs/dbraw/zinc/87/88/43/358878843.db2.gz CLAMTPBXPGALJZ-CYBMUJFWSA-N 0 0 312.479 2.497 10 30 DEEERN C=CCCSCCNC(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000597360394 358898270 /nfs/dbraw/zinc/89/82/70/358898270.db2.gz KKBKRALLEUQXGZ-UHFFFAOYSA-N 0 0 323.462 2.002 10 30 DEEERN C=CCC[C@H](NC(=O)[C@@]1(O)CCCC(C)(C)C1)C(=O)OCC ZINC000597732949 358993208 /nfs/dbraw/zinc/99/32/08/358993208.db2.gz MVMYBPMORVHSEE-SUMWQHHRSA-N 0 0 311.422 2.332 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1cccc(CN2CCOCC2)n1 ZINC000185974421 199911312 /nfs/dbraw/zinc/91/13/12/199911312.db2.gz YLIQNEQUVDQTHB-AWEZNQCLSA-N 0 0 303.406 2.455 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000185911037 199903048 /nfs/dbraw/zinc/90/30/48/199903048.db2.gz ONVREKPPEAQCDG-GHMZBOCLSA-N 0 0 306.328 2.258 10 30 DEEERN C=CC[C@H](C(=O)N1CCS(=O)(=O)C(C)(C)C1)c1ccccc1 ZINC000186278915 199938276 /nfs/dbraw/zinc/93/82/76/199938276.db2.gz VMIWZPIJTAXTEM-HNNXBMFYSA-N 0 0 321.442 2.382 10 30 DEEERN C=CCN(C(=O)[C@@H](C)CC#N)c1nc(C(=O)OCC)cs1 ZINC000598808747 359331108 /nfs/dbraw/zinc/33/11/08/359331108.db2.gz DBOXOGFIEXQARQ-JTQLQIEISA-N 0 0 307.375 2.389 10 30 DEEERN C=CCN(Cc1ccc(C)c(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000599325177 359462914 /nfs/dbraw/zinc/46/29/14/359462914.db2.gz ATFXHRFLVLMWAN-MRXNPFEDSA-N 0 0 304.415 2.042 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)OC)c2C)C1 ZINC000599374725 359481728 /nfs/dbraw/zinc/48/17/28/359481728.db2.gz LISSGXMZTUWENZ-CYBMUJFWSA-N 0 0 323.414 2.368 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(OC)c(C#N)cc1F ZINC000599807591 359601289 /nfs/dbraw/zinc/60/12/89/359601289.db2.gz BGKHIDNXZUVUQA-HZMBPMFUSA-N 0 0 319.336 2.419 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc(C(=O)OC)c1 ZINC000599996187 359631404 /nfs/dbraw/zinc/63/14/04/359631404.db2.gz ZNOAWMQJOWDVTM-UHFFFAOYSA-N 0 0 318.373 2.130 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000600003922 359632819 /nfs/dbraw/zinc/63/28/19/359632819.db2.gz JBGBQXNVCFIRCU-LLVKDONJSA-N 0 0 301.321 2.060 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000600026238 359635788 /nfs/dbraw/zinc/63/57/88/359635788.db2.gz SDLKPHZEQAFJBU-LBPRGKRZSA-N 0 0 317.345 2.266 10 30 DEEERN C=CCCSCCNC(=O)c1cncc(N2CCCC2=O)c1 ZINC000600090417 359646554 /nfs/dbraw/zinc/64/65/54/359646554.db2.gz JPDQHEHXKMBDPU-UHFFFAOYSA-N 0 0 319.430 2.248 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)c2cccc(C#N)c2)C12CCOCC2 ZINC000187079924 200058532 /nfs/dbraw/zinc/05/85/32/200058532.db2.gz NCNAAZBUYCXRNV-JKSUJKDBSA-N 0 0 314.385 2.262 10 30 DEEERN CCOC(=O)CN(C(=O)COc1ccccc1C#N)C(C)(C)C ZINC000187485572 200118572 /nfs/dbraw/zinc/11/85/72/200118572.db2.gz FUJIZTQIRQVAOR-UHFFFAOYSA-N 0 0 318.373 2.127 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000600212839 359690958 /nfs/dbraw/zinc/69/09/58/359690958.db2.gz KAABEIUNKITENF-SNVBAGLBSA-N 0 0 304.302 2.362 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 ZINC000600213563 359692670 /nfs/dbraw/zinc/69/26/70/359692670.db2.gz WMAISKJTOQLXIO-ZDUSSCGKSA-N 0 0 321.384 2.364 10 30 DEEERN CC#CCCNC(=O)C(=O)Nc1cc(Cl)cc(C)c1OC ZINC000627519953 366539717 /nfs/dbraw/zinc/53/97/17/366539717.db2.gz PMFSIKZRIHZMPE-UHFFFAOYSA-N 0 0 308.765 2.125 10 30 DEEERN C=CC[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188352482 200232727 /nfs/dbraw/zinc/23/27/27/200232727.db2.gz HVULMKMXMOHNEU-WFASDCNBSA-N 0 0 319.380 2.190 10 30 DEEERN CC[C@]1(C)CN(C(=O)[C@H](C)Oc2ccccc2C#N)CCO1 ZINC000188655212 200282255 /nfs/dbraw/zinc/28/22/55/200282255.db2.gz YGKHMPWNYZJODY-SUMWQHHRSA-N 0 0 302.374 2.353 10 30 DEEERN N#Cc1cccc(C2(C(=O)NC[C@@H](CO)c3ccccc3)CC2)c1 ZINC000435580632 237679642 /nfs/dbraw/zinc/67/96/42/237679642.db2.gz RQBOVEWRWVNSQS-KRWDZBQOSA-N 0 0 320.392 2.482 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(OC)c(F)c2)C1 ZINC000627734780 366604903 /nfs/dbraw/zinc/60/49/03/366604903.db2.gz CBDUYQJDRGTMFG-JTQLQIEISA-N 0 0 324.327 2.337 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccccc2N(C)C)C1 ZINC000627736069 366604925 /nfs/dbraw/zinc/60/49/25/366604925.db2.gz LZMGROGMGZPWMS-ZDUSSCGKSA-N 0 0 301.390 2.116 10 30 DEEERN CC(=O)N1CCC[C@@H](c2noc(C3(C#N)CC4(CC4)C3)n2)C1 ZINC000601366294 360020278 /nfs/dbraw/zinc/02/02/78/360020278.db2.gz FOBLMDLTIODPAP-GFCCVEGCSA-N 0 0 300.362 2.131 10 30 DEEERN CO[C@H]1C[C@H](c2nc(C)no2)N(c2ncc(C#N)cc2Cl)C1 ZINC000189142061 200355331 /nfs/dbraw/zinc/35/53/31/200355331.db2.gz IBFOOQQJNOQHFB-CMPLNLGQSA-N 0 0 319.752 2.265 10 30 DEEERN C=C(C)C[C@H](NS(=O)(=O)c1cc(C)sc1C)C(=O)OC ZINC000601502336 360055630 /nfs/dbraw/zinc/05/56/30/360055630.db2.gz NUVIMYOHNUEYJW-NSHDSACASA-N 0 0 317.432 2.151 10 30 DEEERN C=CCC[C@H](CO)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601625148 360092194 /nfs/dbraw/zinc/09/21/94/360092194.db2.gz LJGRWKSLIBTSDL-CQSZACIVSA-N 0 0 318.373 2.460 10 30 DEEERN CC#CCCCC(=O)N1CC[C@@](COC)(C(=O)OC(C)(C)C)C1 ZINC000601775361 360142626 /nfs/dbraw/zinc/14/26/26/360142626.db2.gz LQUOCLBGRNHJDN-GOSISDBHSA-N 0 0 323.433 2.387 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cc1ccc(C(C)=O)cc1)C(=O)OC ZINC000601776947 360143521 /nfs/dbraw/zinc/14/35/21/360143521.db2.gz DBNSOQDWQQLAOI-HNNXBMFYSA-N 0 0 303.358 2.056 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCc1ccc(C#N)cc1)C(=O)OC ZINC000601778124 360143548 /nfs/dbraw/zinc/14/35/48/360143548.db2.gz LTTQFIMUXRFWKO-OAHLLOKOSA-N 0 0 300.358 2.115 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc2nccnc2cc1F)C(=O)OC ZINC000601781024 360145616 /nfs/dbraw/zinc/14/56/16/360145616.db2.gz FSLZHRGCOAQESU-AWEZNQCLSA-N 0 0 317.320 2.007 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc2nc(C)n(C)c2c1)C(=O)OC ZINC000601780852 360145998 /nfs/dbraw/zinc/14/59/98/360145998.db2.gz DEHOTPWVVANIMT-AWEZNQCLSA-N 0 0 315.373 2.119 10 30 DEEERN C=C(C)C[C@@H](NC(=O)COC/C=C\c1ccccc1)C(=O)OC ZINC000601782667 360146772 /nfs/dbraw/zinc/14/67/72/360146772.db2.gz RLVBPEFIOWLPSF-BSDKJSHOSA-N 0 0 317.385 2.340 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(C(=O)OCC)cc1)C(=O)OC ZINC000601783230 360146815 /nfs/dbraw/zinc/14/68/15/360146815.db2.gz VJRFZHSXGYROCL-AWEZNQCLSA-N 0 0 319.357 2.101 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cccc2c1O[C@@H](C)C2)C(=O)OC ZINC000601785721 360148602 /nfs/dbraw/zinc/14/86/02/360148602.db2.gz UBLSMVFSLMDEDH-FZMZJTMJSA-N 0 0 303.358 2.248 10 30 DEEERN C=C(C)C[C@H](NC(=O)COC[C@@H](C)c1ccccc1)C(=O)OC ZINC000601785228 360148649 /nfs/dbraw/zinc/14/86/49/360148649.db2.gz RBRPNYKLSUOPLZ-ZBFHGGJFSA-N 0 0 319.401 2.431 10 30 DEEERN C=C(C)C[C@H](NC(=O)C1CCC(C(C)(C)O)CC1)C(=O)OC ZINC000601785127 360148930 /nfs/dbraw/zinc/14/89/30/360148930.db2.gz PRQCSIHKOPSGMW-RUXDESIVSA-N 0 0 311.422 2.188 10 30 DEEERN C=C(C)C[C@@H](NC(=O)C(=O)c1ccc(Cl)s1)C(=O)OC ZINC000601787664 360150547 /nfs/dbraw/zinc/15/05/47/360150547.db2.gz MHXSEJVQDKLYTE-MRVPVSSYSA-N 0 0 315.778 2.208 10 30 DEEERN C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC000601853909 360175187 /nfs/dbraw/zinc/17/51/87/360175187.db2.gz GVJZEJMVDWCJNR-LXTVHRRPSA-N 0 0 315.421 2.485 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](CC)CSC ZINC000602268109 360327402 /nfs/dbraw/zinc/32/74/02/360327402.db2.gz NQYIDDAQBRFHGT-LBPRGKRZSA-N 0 0 300.468 2.353 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cccc2c1CCCN2)C(=O)OC ZINC000602601714 360451952 /nfs/dbraw/zinc/45/19/52/360451952.db2.gz SGQDOZOUKJLLMH-HNNXBMFYSA-N 0 0 302.374 2.282 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cc1cccc(N)c1Cl)C(=O)OC ZINC000602598291 360451404 /nfs/dbraw/zinc/45/14/04/360451404.db2.gz AUISDTCDWJSFNP-LBPRGKRZSA-N 0 0 310.781 2.089 10 30 DEEERN COc1cccc(CCNC(=O)NCC2CCC(C#N)CC2)n1 ZINC000442110300 238039128 /nfs/dbraw/zinc/03/91/28/238039128.db2.gz JGBPQITYODVSCG-UHFFFAOYSA-N 0 0 316.405 2.262 10 30 DEEERN C[C@@]12CCN(S(=O)(=O)c3cccc(C#N)c3)C[C@@H]1C2(F)F ZINC000292448322 223085486 /nfs/dbraw/zinc/08/54/86/223085486.db2.gz XULAWSVIDASEPB-QWHCGFSZSA-N 0 0 312.341 2.224 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000605804784 360988429 /nfs/dbraw/zinc/98/84/29/360988429.db2.gz ZAULJOGDDNYLFO-UHFFFAOYSA-N 0 0 314.382 2.371 10 30 DEEERN N#CCn1c(C(=O)N2CCCn3nccc32)cc2ccccc21 ZINC000609169285 361286514 /nfs/dbraw/zinc/28/65/14/361286514.db2.gz AKNRWNGGQPVWHI-UHFFFAOYSA-N 0 0 305.341 2.412 10 30 DEEERN N#Cc1ccc(CNC(=O)Nc2ccc(C(N)=O)cc2)c(F)c1 ZINC000609240132 361292156 /nfs/dbraw/zinc/29/21/56/361292156.db2.gz YROPEYRKOUBZME-UHFFFAOYSA-N 0 0 312.304 2.118 10 30 DEEERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@@](C)(C#N)CC(C)C ZINC000608813760 361267512 /nfs/dbraw/zinc/26/75/12/361267512.db2.gz ZCFZXGXYTHELNS-FUHWJXTLSA-N 0 0 313.401 2.409 10 30 DEEERN CC(C)[C@H](C#N)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000609539282 361318772 /nfs/dbraw/zinc/31/87/72/361318772.db2.gz WWODNXHMJIDKKF-INIZCTEOSA-N 0 0 315.417 2.124 10 30 DEEERN CC(C)C[C@H](NC(=O)c1ccnc(C#N)c1)C(=O)OC(C)C ZINC000193268095 201017705 /nfs/dbraw/zinc/01/77/05/201017705.db2.gz KHPQPHWUHWQKRW-AWEZNQCLSA-N 0 0 303.362 2.049 10 30 DEEERN C[C@H]1CN(C(=O)NCc2ccc(C#N)cc2F)C[C@@H](C2CC2)O1 ZINC000619363119 363773416 /nfs/dbraw/zinc/77/34/16/363773416.db2.gz UOKSPJIEAMUGDO-ZBEGNZNMSA-N 0 0 317.364 2.406 10 30 DEEERN Cn1ccnc1C[C@H](NC(=O)c1cc(C#N)c[nH]1)c1ccccc1 ZINC000610493699 361408526 /nfs/dbraw/zinc/40/85/26/361408526.db2.gz MTRTYEIQHLBBHW-HNNXBMFYSA-N 0 0 319.368 2.334 10 30 DEEERN C[C@H](C[C@H]1CCOC1)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000611543392 361626570 /nfs/dbraw/zinc/62/65/70/361626570.db2.gz GTTWMZUOFIESLL-PBFPGSCMSA-N 0 0 324.421 2.179 10 30 DEEERN CC1(C#N)CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000611561312 361632395 /nfs/dbraw/zinc/63/23/95/361632395.db2.gz WDPFCBPVIRMWCD-UHFFFAOYSA-N 0 0 324.384 2.420 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](COC)c1ccc(Cl)cc1 ZINC000194643123 201266848 /nfs/dbraw/zinc/26/68/48/201266848.db2.gz HIJUHLHMADXRAX-UONOGXRCSA-N 0 0 312.797 2.264 10 30 DEEERN C=C1CCN(c2nnc(-c3cc[nH]n3)n2C[C@@H]2CCCO2)CC1 ZINC000611903829 361703282 /nfs/dbraw/zinc/70/32/82/361703282.db2.gz YGULMBPGOYUBKU-ZDUSSCGKSA-N 0 0 314.393 2.004 10 30 DEEERN C=CCN(CC=C)c1nnc(-c2cc[nH]n2)n1C[C@@H]1CCCO1 ZINC000611909287 361703855 /nfs/dbraw/zinc/70/38/55/361703855.db2.gz SQOUZDIWZBAQQB-ZDUSSCGKSA-N 0 0 314.393 2.026 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)Cc1ncc(CC)s1 ZINC000611881521 361699326 /nfs/dbraw/zinc/69/93/26/361699326.db2.gz FXWDWCCLZKTSNE-ZDUSSCGKSA-N 0 0 309.435 2.135 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H](C)CCOC ZINC000611968249 361715016 /nfs/dbraw/zinc/71/50/16/361715016.db2.gz UZZKDAJXGDDEEV-RBSFLKMASA-N 0 0 310.438 2.026 10 30 DEEERN C=C[C@@H](NCc1ccc(C)cc1OC[C@H]1CCOC1)C(=O)OC ZINC000619702227 363860327 /nfs/dbraw/zinc/86/03/27/363860327.db2.gz KCSQKMXGNVNVLY-GOEBONIOSA-N 0 0 319.401 2.228 10 30 DEEERN CC(C)n1cc2cc(NC(=O)[C@@H](C)n3cnc(C#N)n3)ccc2n1 ZINC000619593282 363836716 /nfs/dbraw/zinc/83/67/16/363836716.db2.gz CFDWTHDLUHORGP-LLVKDONJSA-N 0 0 323.360 2.280 10 30 DEEERN C[C@H](C(=O)N1CCC[C@H]1/C=C/c1ccccc1)n1cnc(C#N)n1 ZINC000619598845 363837502 /nfs/dbraw/zinc/83/75/02/363837502.db2.gz RGRIUSXELKKPKH-MVHLYKQMSA-N 0 0 321.384 2.415 10 30 DEEERN C[C@H](C(=O)N1CCC(c2ccsc2)CC1)n1cnc(C#N)n1 ZINC000619599406 363837538 /nfs/dbraw/zinc/83/75/38/363837538.db2.gz WOHBEMQGHSSYBI-LLVKDONJSA-N 0 0 315.402 2.178 10 30 DEEERN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)NC1CC1 ZINC000619791772 363877436 /nfs/dbraw/zinc/87/74/36/363877436.db2.gz OWIRWNPNQPEZGV-UHFFFAOYSA-N 0 0 315.760 2.114 10 30 DEEERN N#Cc1ccnc(NC(=O)c2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000448398232 239327782 /nfs/dbraw/zinc/32/77/82/239327782.db2.gz RVOJPJDABCPPBX-HNNXBMFYSA-N 0 0 309.325 2.373 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(C)nc2ccccc2c1=O ZINC000620303683 364012610 /nfs/dbraw/zinc/01/26/10/364012610.db2.gz AFKFZLMXGKSXEG-GASCZTMLSA-N 0 0 323.396 2.415 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1nnnc1C(C)(C)C ZINC000620305794 364013819 /nfs/dbraw/zinc/01/38/19/364013819.db2.gz RGGKZEBZQRSKKS-RWMBFGLXSA-N 0 0 303.410 2.241 10 30 DEEERN C=C(CNC(=O)[C@@H]1C[C@@H]1C(C)C)CNC(=O)[C@H]1C[C@H]1C(C)C ZINC000620749890 364141181 /nfs/dbraw/zinc/14/11/81/364141181.db2.gz QWTWNDWJHAUOQA-GEEKYZPCSA-N 0 0 306.450 2.359 10 30 DEEERN C=CCCC(C)(C)NC(=O)c1sc(S(N)(=O)=O)cc1C ZINC000620861419 364181207 /nfs/dbraw/zinc/18/12/07/364181207.db2.gz PLAVLNTYGQQBEJ-UHFFFAOYSA-N 0 0 316.448 2.179 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCN(c2ccc(OCC)nn2)CC1 ZINC000620828549 364171451 /nfs/dbraw/zinc/17/14/51/364171451.db2.gz IOWLOPWLCKRYKY-CQSZACIVSA-N 0 0 318.421 2.126 10 30 DEEERN C=CCCCN(C)C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621560682 364455026 /nfs/dbraw/zinc/45/50/26/364455026.db2.gz BGIVRMGMQDSCDQ-HNNXBMFYSA-N 0 0 322.430 2.264 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cnn3c2[nH]c(=O)c2ccccc23)C1 ZINC000628486392 366864164 /nfs/dbraw/zinc/86/41/64/366864164.db2.gz HMZWTWZUGSVOST-LBPRGKRZSA-N 0 0 322.368 2.214 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CNC(=O)c2ccc(F)cc2F)C1 ZINC000628491425 366865242 /nfs/dbraw/zinc/86/52/42/366865242.db2.gz YIMNQTAPGLRYKG-NSHDSACASA-N 0 0 308.328 2.119 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)C1 ZINC000628487660 366865395 /nfs/dbraw/zinc/86/53/95/366865395.db2.gz JUXXJXKJHWZWRQ-CYBMUJFWSA-N 0 0 314.389 2.019 10 30 DEEERN C=CC[C@H]1CCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)C1 ZINC000628492872 366866335 /nfs/dbraw/zinc/86/63/35/366866335.db2.gz DSFJYZNFONEMPV-OLZOCXBDSA-N 0 0 312.369 2.096 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCCc2nnc3n2CCCCC3)C1 ZINC000623401396 365015865 /nfs/dbraw/zinc/01/58/65/365015865.db2.gz ZMQKPEHGNAPNNF-AWEZNQCLSA-N 0 0 317.437 2.155 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCC(=O)N1CCc2ccccc21 ZINC000623546167 365072469 /nfs/dbraw/zinc/07/24/69/365072469.db2.gz UWIQIDCAFFSING-UHFFFAOYSA-N 0 0 315.417 2.477 10 30 DEEERN C=CCOc1c(Cl)cc(CNCc2cn[nH]n2)cc1OC ZINC000623579368 365088168 /nfs/dbraw/zinc/08/81/68/365088168.db2.gz YUMANDSBJKFYGQ-UHFFFAOYSA-N 0 0 308.769 2.321 10 30 DEEERN CC#CCNC(=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000623822677 365186256 /nfs/dbraw/zinc/18/62/56/365186256.db2.gz VCGGXBHZJTXHKA-UHFFFAOYSA-N 0 0 310.401 2.018 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2c(CC)nn(C)c2OC)C1 ZINC000623846203 365197460 /nfs/dbraw/zinc/19/74/60/365197460.db2.gz NVEIGNGTLDFSLS-LBPRGKRZSA-N 0 0 306.410 2.099 10 30 DEEERN C[C@]1(C(=O)N[C@H]2CN(c3ccccc3)C2=O)CCC(=O)NC1 ZINC000328696354 291346516 /nfs/dbraw/zinc/34/65/16/291346516.db2.gz DGKHILBCANWRQM-LRDDRELGSA-N 0 0 301.346 2.115 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1Cc2cccc(OC)c2C1 ZINC000624241345 365348442 /nfs/dbraw/zinc/34/84/42/365348442.db2.gz GMSXTHGFDMPOHB-WFASDCNBSA-N 0 0 302.374 2.312 10 30 DEEERN COC[C@H](C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092035407 193144909 /nfs/dbraw/zinc/14/49/09/193144909.db2.gz CNTIQHBUDXHOKX-GRTSSRMGSA-N 0 0 317.389 2.042 10 30 DEEERN C=CCN(C)C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000624607401 365486995 /nfs/dbraw/zinc/48/69/95/365486995.db2.gz PTCSXFVGUHNSTI-HNNXBMFYSA-N 0 0 323.824 2.373 10 30 DEEERN C=CCc1ccc(OCC(=O)N2CC3(C2)CCCO3)c(OC)c1 ZINC000628784250 366968560 /nfs/dbraw/zinc/96/85/60/366968560.db2.gz MFCSRGMYUZMDAK-UHFFFAOYSA-N 0 0 317.385 2.194 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CCO[C@H](CCF)C2)cc1 ZINC000629013694 367047732 /nfs/dbraw/zinc/04/77/32/367047732.db2.gz MPCRUPDNZKSOPT-MRXNPFEDSA-N 0 0 307.365 2.381 10 30 DEEERN C=CCN1CC[C@H](Nc2ccc3c(c2)[C@H](C)CC(=O)N3C)C1=O ZINC000629270446 367144512 /nfs/dbraw/zinc/14/45/12/367144512.db2.gz HCGMYFSOJXQYMT-DOMZBBRYSA-N 0 0 313.401 2.355 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000629717968 367312998 /nfs/dbraw/zinc/31/29/98/367312998.db2.gz MXLJMLZZUVMTIQ-SUMWQHHRSA-N 0 0 307.365 2.477 10 30 DEEERN C=CCCOCCCCC(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000629926623 367381185 /nfs/dbraw/zinc/38/11/85/367381185.db2.gz UWRNHJKVPZLNFG-HNNXBMFYSA-N 0 0 308.422 2.019 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000450596001 241990721 /nfs/dbraw/zinc/99/07/21/241990721.db2.gz LFYJJDWAJKHPBQ-UHFFFAOYSA-N 0 0 315.760 2.415 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2ccc(OCCOC)c(F)c2)C1=O ZINC000630504824 367694990 /nfs/dbraw/zinc/69/49/90/367694990.db2.gz LYURDTFGRVSXNS-CYBMUJFWSA-N 0 0 322.336 2.242 10 30 DEEERN N#CCc1ccc(S(=O)(=O)NCCc2ccsc2)cc1 ZINC000092131603 193166513 /nfs/dbraw/zinc/16/65/13/193166513.db2.gz UXKROLMUPOPJOU-UHFFFAOYSA-N 0 0 306.412 2.335 10 30 DEEERN C=C1CC(C)(C(=O)NCc2nnc(-c3ccc(OC)cc3)[nH]2)C1 ZINC000630927187 367917381 /nfs/dbraw/zinc/91/73/81/367917381.db2.gz MFMCLOHDEPBPMH-UHFFFAOYSA-N 0 0 312.373 2.453 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccc(NC(C)=O)cc2)C1=O ZINC000630964039 367939051 /nfs/dbraw/zinc/93/90/51/367939051.db2.gz DBHAIJIQKVPESO-CQSZACIVSA-N 0 0 301.346 2.032 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2cn3cc(Cl)ccc3n2)C1=O ZINC000630965609 367940238 /nfs/dbraw/zinc/94/02/38/367940238.db2.gz BAHLUFJLCWBYGX-GFCCVEGCSA-N 0 0 318.764 2.374 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCCCO3)C1=O ZINC000630968259 367941729 /nfs/dbraw/zinc/94/17/29/367941729.db2.gz CXEQHYNLCVLBAM-ZDUSSCGKSA-N 0 0 316.357 2.235 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCc2ccc(C)c(OC)c2)C1=O ZINC000630972374 367944221 /nfs/dbraw/zinc/94/42/21/367944221.db2.gz GWUFPISWRWQRHM-CQSZACIVSA-N 0 0 302.374 2.433 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@@H](C)Oc2ccccc2F)C1=O ZINC000630973385 367944993 /nfs/dbraw/zinc/94/49/93/367944993.db2.gz CIESSCLUGVLUFM-DGCLKSJQSA-N 0 0 306.337 2.480 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2cc(COC(C)(C)C)on2)C1=O ZINC000630977285 367947763 /nfs/dbraw/zinc/94/77/63/367947763.db2.gz UONLJDZHDAWGKX-CYBMUJFWSA-N 0 0 321.377 2.376 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H]2CSc3ccccc3O2)C1=O ZINC000630986641 367952289 /nfs/dbraw/zinc/95/22/89/367952289.db2.gz OJUYYKUPUWPMFV-NEPJUHHUSA-N 0 0 318.398 2.426 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2c(C3CCC3)cnn2C)C1=O ZINC000630987390 367953026 /nfs/dbraw/zinc/95/30/26/367953026.db2.gz OWWPWHYOZVYLEL-ZDUSSCGKSA-N 0 0 302.378 2.074 10 30 DEEERN C=CCN1CC[C@H](N(C)c2nc(C(C)C)nc3[nH]ccc32)C1=O ZINC000631263436 368110364 /nfs/dbraw/zinc/11/03/64/368110364.db2.gz PWTZTOGXSHREGE-ZDUSSCGKSA-N 0 0 313.405 2.304 10 30 DEEERN CSc1ccc(C(=O)Nc2ncc(C#CCO)s2)cc1 ZINC000092232626 193177719 /nfs/dbraw/zinc/17/77/19/193177719.db2.gz RDKCJGVARCWELB-UHFFFAOYSA-N 0 0 304.396 2.461 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275052250 212095460 /nfs/dbraw/zinc/09/54/60/212095460.db2.gz GVPVHCSDWZPURF-QWRGUYRKSA-N 0 0 306.328 2.116 10 30 DEEERN CC[C@H](C#N)S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000093493539 193259324 /nfs/dbraw/zinc/25/93/24/193259324.db2.gz PRIJIPXATPWTJG-HZSPNIEDSA-N 0 0 312.435 2.232 10 30 DEEERN N#C[C@@]1(NC2CC2)CCC[C@H](Sc2nnnn2C2CC2)C1 ZINC000093746944 193300086 /nfs/dbraw/zinc/30/00/86/193300086.db2.gz PCRVZBHNUHPWOH-GXTWGEPZSA-N 0 0 304.423 2.057 10 30 DEEERN CN[C@]1(C#N)CCC[C@@H](Sc2nnnn2C2CCCC2)C1 ZINC000093746912 193300534 /nfs/dbraw/zinc/30/05/34/193300534.db2.gz OJOGANPUTPTSFY-TZMCWYRMSA-N 0 0 306.439 2.305 10 30 DEEERN COC(=O)[C@@H](C)CN(C)c1nc(C(F)(F)F)ccc1C#N ZINC000094335171 193360201 /nfs/dbraw/zinc/36/02/01/193360201.db2.gz DRSWNJKIVSTQID-QMMMGPOBSA-N 0 0 301.268 2.217 10 30 DEEERN Cc1cc(C(=O)N2CCOCC2(C)C)sc1C#CCCO ZINC000094534246 193377404 /nfs/dbraw/zinc/37/74/04/193377404.db2.gz UWMNNLRJQVPFCF-UHFFFAOYSA-N 0 0 307.415 2.041 10 30 DEEERN Cc1ccsc1CNC(=O)c1cc(C#CCO)ccc1F ZINC000094883484 193404915 /nfs/dbraw/zinc/40/49/15/193404915.db2.gz LEYYLVCMRSIEGU-UHFFFAOYSA-N 0 0 303.358 2.469 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CC#Cc1ccc(F)cc1 ZINC000248874280 284216792 /nfs/dbraw/zinc/21/67/92/284216792.db2.gz VRNSHEBEUVBSQH-XIRDDKMYSA-N 0 0 301.361 2.451 10 30 DEEERN NC(=O)c1ccc(C#CCNC(=O)c2ccccc2Cl)cc1 ZINC000096348007 193615006 /nfs/dbraw/zinc/61/50/06/193615006.db2.gz KKYLINWWXQLNFQ-UHFFFAOYSA-N 0 0 312.756 2.220 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cnn(-c2ccccn2)c1C ZINC000266127412 205120194 /nfs/dbraw/zinc/12/01/94/205120194.db2.gz FKWSLRAUCMJMAH-UHFFFAOYSA-N 0 0 320.418 2.162 10 30 DEEERN C=CCCCN(C)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000135109463 335019485 /nfs/dbraw/zinc/01/94/85/335019485.db2.gz QRTQTHPOMYHPBS-INIZCTEOSA-N 0 0 300.402 2.460 10 30 DEEERN O=C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000019678765 182135644 /nfs/dbraw/zinc/13/56/44/182135644.db2.gz VASGSQLROLFRQH-CYBMUJFWSA-N 0 0 307.415 2.165 10 30 DEEERN C=CC[C@H]([NH3+])C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000160259749 197395713 /nfs/dbraw/zinc/39/57/13/197395713.db2.gz PDAGHSQKXRDFHE-VIFPVBQESA-N 0 0 302.252 2.246 10 30 DEEERN COc1ccc(C#N)cc1CN1CCC(Nc2cccnn2)CC1 ZINC000159891823 197371904 /nfs/dbraw/zinc/37/19/04/197371904.db2.gz ISLRQKGMXOXSIZ-UHFFFAOYSA-N 0 0 323.400 2.433 10 30 DEEERN C=CCn1c(SCC(=O)NC(C)(C)C)nnc1C(F)(F)F ZINC000020839676 182248910 /nfs/dbraw/zinc/24/89/10/182248910.db2.gz VMYZUJCFUJIYDS-UHFFFAOYSA-N 0 0 322.356 2.490 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1coc(-c2ccnc(C)c2)n1 ZINC000456758855 247404859 /nfs/dbraw/zinc/40/48/59/247404859.db2.gz DEGFKKUDOOTGOH-CYBMUJFWSA-N 0 0 301.346 2.102 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000458695462 248441380 /nfs/dbraw/zinc/44/13/80/248441380.db2.gz UBSMUVFLWRANAA-HNNXBMFYSA-N 0 0 306.406 2.178 10 30 DEEERN COCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]1c1ccco1 ZINC000040358421 183056232 /nfs/dbraw/zinc/05/62/32/183056232.db2.gz QTJPPSHWZJUNAW-AWEZNQCLSA-N 0 0 307.346 2.237 10 30 DEEERN Nc1c(-c2nc3ccccc3s2)c(O)cn1N=Cc1ccc[nH]1 ZINC000040368600 183057448 /nfs/dbraw/zinc/05/74/48/183057448.db2.gz SCIVPBRARVSYNH-UFWORHAWSA-N 0 0 323.381 2.171 10 30 DEEERN COc1cccc([C@@H](C#N)N2CCN(C(=O)C(C)C)CC2)c1 ZINC000041258933 183181982 /nfs/dbraw/zinc/18/19/82/183181982.db2.gz BHKJJTOPSDZPBJ-MRXNPFEDSA-N 0 0 301.390 2.060 10 30 DEEERN CCCO[C@@H]1CCCN(S(=O)(=O)c2ccccc2C#N)C1 ZINC000042425051 183268428 /nfs/dbraw/zinc/26/84/28/183268428.db2.gz CNETYABXTVROIY-CQSZACIVSA-N 0 0 308.403 2.138 10 30 DEEERN CCN(CC/C(N)=N/O)Cc1ccccc1Br ZINC000042452346 183271947 /nfs/dbraw/zinc/27/19/47/183271947.db2.gz MFDFYFPRTDGEPT-UHFFFAOYSA-N 0 0 300.200 2.408 10 30 DEEERN CN(Cc1csc(C#CCO)c1)C(=O)c1ccc(O)cc1 ZINC000042363678 183258957 /nfs/dbraw/zinc/25/89/57/183258957.db2.gz DTOHWILQGWTYFQ-UHFFFAOYSA-N 0 0 301.367 2.070 10 30 DEEERN N#Cc1cc(F)ccc1CN1CCCN(c2cccnn2)CC1 ZINC000105800550 194132732 /nfs/dbraw/zinc/13/27/32/194132732.db2.gz YDHJISLXDGNVPX-UHFFFAOYSA-N 0 0 311.364 2.200 10 30 DEEERN C[C@H](NC(=O)N1CCO[C@@H](C#N)C1)c1nc(C(C)(C)C)cs1 ZINC000106575116 194232021 /nfs/dbraw/zinc/23/20/21/194232021.db2.gz UDUYSXAFFHDBKG-QWRGUYRKSA-N 0 0 322.434 2.436 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000273446916 210782295 /nfs/dbraw/zinc/78/22/95/210782295.db2.gz SGPGLNLPDDOWEK-GFCCVEGCSA-N 0 0 324.450 2.188 10 30 DEEERN Cn1c(Sc2ccc(C(F)(F)F)cc2C#N)n[nH]c1=O ZINC000061592766 184175560 /nfs/dbraw/zinc/17/55/60/184175560.db2.gz ACSYGIGDMIAOKO-UHFFFAOYSA-N 0 0 300.265 2.150 10 30 DEEERN Cc1ccc([C@H]2C(=O)NCCN2C(=O)c2cccc(C#N)c2)cc1 ZINC000062123522 184207178 /nfs/dbraw/zinc/20/71/78/184207178.db2.gz GIQMFHARYQYIGE-KRWDZBQOSA-N 0 0 319.364 2.180 10 30 DEEERN Cc1c(N)cc(S(=O)(=O)N(C)[C@@H](C)CC#N)cc1Cl ZINC000063086166 184269694 /nfs/dbraw/zinc/26/96/94/184269694.db2.gz CCEPVBIEGACRKI-QMMMGPOBSA-N 0 0 301.799 2.153 10 30 DEEERN CSc1ccc(N2C[C@H](C(=O)N(C)CCC#N)CC2=O)cc1 ZINC000247981654 532975873 /nfs/dbraw/zinc/97/58/73/532975873.db2.gz JODPDXKZSZEQFY-GFCCVEGCSA-N 0 0 317.414 2.133 10 30 DEEERN C=C(C)[C@H](CC(=O)NCc1ccnc(-n2ccnc2)c1)OCC ZINC000270098695 208156891 /nfs/dbraw/zinc/15/68/91/208156891.db2.gz QBHNAXBLZULLKE-HNNXBMFYSA-N 0 0 314.389 2.255 10 30 DEEERN C#CCn1ncc(N[C@@H](C)C2CCC2)c(Br)c1=O ZINC000158883008 197308206 /nfs/dbraw/zinc/30/82/06/197308206.db2.gz DMAVMRBOSIURQX-VIFPVBQESA-N 0 0 310.195 2.240 10 30 DEEERN C=CCN(CCO)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000158737867 197298113 /nfs/dbraw/zinc/29/81/13/197298113.db2.gz MLMFOFWFOARTTB-UHFFFAOYSA-N 0 0 310.202 2.162 10 30 DEEERN CC[C@@H]1CN(S(=O)(=O)Cc2ccccc2C#N)CCS1 ZINC000158449260 197273262 /nfs/dbraw/zinc/27/32/62/197273262.db2.gz NUVHKUPRFUNMRP-CQSZACIVSA-N 0 0 310.444 2.215 10 30 DEEERN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)S(=O)(=O)C1 ZINC000158401951 197268822 /nfs/dbraw/zinc/26/88/22/197268822.db2.gz ZWCYQZNPBPZDPI-MRVPVSSYSA-N 0 0 304.293 2.363 10 30 DEEERN C#C[C@@H](NN)c1cc(Br)c(Br)s1 ZINC000158136444 197246594 /nfs/dbraw/zinc/24/65/94/197246594.db2.gz OXRHRUBCCUQTJE-RXMQYKEDSA-N 0 0 310.014 2.411 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(C#N)cc3F)[C@@H]2C1 ZINC000158196325 197252271 /nfs/dbraw/zinc/25/22/71/197252271.db2.gz FWEKILCKULOANW-DJIMGWMZSA-N 0 0 304.365 2.466 10 30 DEEERN CC[C@@H]1CN(C(=O)c2ccc(C#CCCO)cc2)CCS1 ZINC000157972978 197231924 /nfs/dbraw/zinc/23/19/24/197231924.db2.gz GWPBISKFJFMOMJ-MRXNPFEDSA-N 0 0 303.427 2.388 10 30 DEEERN CSCCCCNS(=O)(=O)c1cccc(F)c1C#N ZINC000157746499 197212514 /nfs/dbraw/zinc/21/25/14/197212514.db2.gz KPPZFJLCWUTIKL-UHFFFAOYSA-N 0 0 302.396 2.119 10 30 DEEERN O=C(NC[C@@H]1CCCCS1)c1ccc(C#CCO)cc1F ZINC000156561450 197123397 /nfs/dbraw/zinc/12/33/97/197123397.db2.gz FTMOLDLQNQYAFC-ZDUSSCGKSA-N 0 0 307.390 2.185 10 30 DEEERN C#CCOc1ccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000156276288 197100015 /nfs/dbraw/zinc/10/00/15/197100015.db2.gz BAASVXHQYVWIMV-OAHLLOKOSA-N 0 0 309.369 2.062 10 30 DEEERN N#CCOc1ccc(CC(=O)N2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000120391893 195156879 /nfs/dbraw/zinc/15/68/79/195156879.db2.gz IZEIIRBSKVWPFU-WBVHZDCISA-N 0 0 314.385 2.159 10 30 DEEERN N#Cc1ccc(NC(=O)CCN2CCCC[C@@H]2c2nc[nH]n2)cc1 ZINC000121668919 195326856 /nfs/dbraw/zinc/32/68/56/195326856.db2.gz ABUGOFLDWMRCBZ-OAHLLOKOSA-N 0 0 324.388 2.232 10 30 DEEERN N#CC1(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)CCCC1 ZINC000124748656 195674782 /nfs/dbraw/zinc/67/47/82/195674782.db2.gz ZROQYWVFGKIFEW-ZDUSSCGKSA-N 0 0 315.398 2.442 10 30 DEEERN C[C@](O)(c1ccc(C#N)cc1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000124843926 195685839 /nfs/dbraw/zinc/68/58/39/195685839.db2.gz OMYPSTKIUHOTNV-JYJNAYRXSA-N 0 0 307.415 2.369 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N(C)CC(C)C ZINC000453466439 533536721 /nfs/dbraw/zinc/53/67/21/533536721.db2.gz VEUXZWYZHXCWII-UHFFFAOYSA-N 0 0 303.414 2.050 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000177375394 132526703 /nfs/dbraw/zinc/52/67/03/132526703.db2.gz ZFFFYXHDWDHEAV-HNNXBMFYSA-N 0 0 308.385 2.296 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000178252864 132534116 /nfs/dbraw/zinc/53/41/16/132534116.db2.gz PBCOFNPIUGNWSX-OWQGQXMQSA-N 0 0 316.401 2.383 10 30 DEEERN N#Cc1ccnc(NC(=O)c2ccc(N3CCOCC3)cc2)c1 ZINC000357427380 133077470 /nfs/dbraw/zinc/07/74/70/133077470.db2.gz ORNFCHMNZKTKGW-UHFFFAOYSA-N 0 0 308.341 2.042 10 30 DEEERN C[C@@H](C(=O)Nc1cncc(Cl)c1Cl)n1cnc(C#N)n1 ZINC000361892021 133198113 /nfs/dbraw/zinc/19/81/13/133198113.db2.gz YYOAKBRICPGJSO-LURJTMIESA-N 0 0 311.132 2.051 10 30 DEEERN CC(C)Oc1cc(F)ccc1NC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000361895751 133198640 /nfs/dbraw/zinc/19/86/40/133198640.db2.gz BFAFBEKHGJYDIZ-JTQLQIEISA-N 0 0 317.324 2.276 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)c3ccc(C=O)cc3)C2)cc1 ZINC000130381840 144753468 /nfs/dbraw/zinc/75/34/68/144753468.db2.gz AWVJDYBHVKYSJX-UHFFFAOYSA-N 0 0 306.321 2.274 10 30 DEEERN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000130603837 144754907 /nfs/dbraw/zinc/75/49/07/144754907.db2.gz OSYRKWRFDVDOQS-LLVKDONJSA-N 0 0 324.384 2.292 10 30 DEEERN N#Cc1ccc(OCCNC(=O)CC[C@@H]2CCCCO2)cc1 ZINC000173906141 144852520 /nfs/dbraw/zinc/85/25/20/144852520.db2.gz UKEXAEYLLONCOW-HNNXBMFYSA-N 0 0 302.374 2.403 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2cnc3ccccc3n2)cc1 ZINC000173908254 144852857 /nfs/dbraw/zinc/85/28/57/144852857.db2.gz HSUXRXFZFQDEHM-UHFFFAOYSA-N 0 0 318.336 2.310 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000178543356 144860270 /nfs/dbraw/zinc/86/02/70/144860270.db2.gz PGOUMNUAFVERBC-CQSZACIVSA-N 0 0 310.361 2.327 10 30 DEEERN C[C@@H](NC(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1cccnc1 ZINC000184414085 144944274 /nfs/dbraw/zinc/94/42/74/144944274.db2.gz LMAORJIBQRGKNC-CYBMUJFWSA-N 0 0 322.368 2.487 10 30 DEEERN CCOC(=O)c1ccc(CNC(=O)c2ccnc(C#N)c2)cc1 ZINC000192870971 145080055 /nfs/dbraw/zinc/08/00/55/145080055.db2.gz RARNAKDQMQLPSR-UHFFFAOYSA-N 0 0 309.325 2.060 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(C#N)c(F)c3)[C@H]2C1 ZINC000248842769 145170398 /nfs/dbraw/zinc/17/03/98/145170398.db2.gz MDVVGMBETKBYIP-HYVNUMGLSA-N 0 0 304.365 2.466 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCOc1cccc(C#N)c1 ZINC000248864866 145170643 /nfs/dbraw/zinc/17/06/43/145170643.db2.gz SSPZVIHMBDDBQI-XIRDDKMYSA-N 0 0 314.385 2.211 10 30 DEEERN N#Cc1ccc(C(=O)NCC(=O)NC/C=C\c2ccccc2)cc1 ZINC000255908777 145205399 /nfs/dbraw/zinc/20/53/99/145205399.db2.gz HYLBFWLBIIIMKD-DAXSKMNVSA-N 0 0 319.364 2.118 10 30 DEEERN COc1ccccc1[C@@H]1CNCCN1C(=O)c1ccc(C#N)cc1 ZINC000261630747 145212325 /nfs/dbraw/zinc/21/23/25/145212325.db2.gz AZHCODONVJLFJK-KRWDZBQOSA-N 0 0 321.380 2.354 10 30 DEEERN CO[C@H]1C[C@@H](CO)N(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000314139305 145357166 /nfs/dbraw/zinc/35/71/66/145357166.db2.gz GAVDPGBWLBRPLD-RYUDHWBXSA-N 0 0 300.280 2.163 10 30 DEEERN CCN(C(=O)[C@H](Oc1ccccc1C#N)C(C)C)[C@H](C)CO ZINC000358764711 147199871 /nfs/dbraw/zinc/19/98/71/147199871.db2.gz CJXYABICLWTGQH-CZUORRHYSA-N 0 0 304.390 2.191 10 30 DEEERN N#Cc1ccc(CCC(=O)N2CC(O)(c3ccc(F)cc3)C2)cc1 ZINC000375012545 148315974 /nfs/dbraw/zinc/31/59/74/148315974.db2.gz WGDDXDYMPAUWPT-UHFFFAOYSA-N 0 0 324.355 2.360 10 30 DEEERN C[C@@H]1C[C@@H](C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC(=O)N1 ZINC000408200744 148574481 /nfs/dbraw/zinc/57/44/81/148574481.db2.gz DYZYLUFQWBFYEH-CXAGYDPISA-N 0 0 323.396 2.089 10 30 DEEERN C=CCOC(=O)CSc1ncc(Cc2ccccc2)c(N)n1 ZINC000001553937 401708465 /nfs/dbraw/zinc/70/84/65/401708465.db2.gz XMBTUPOEXFMHTM-UHFFFAOYSA-N 0 0 315.398 2.471 10 30 DEEERN N#Cc1cccc(C(=O)N2CCCN(C(=O)c3ccco3)CC2)c1 ZINC000075017979 401747706 /nfs/dbraw/zinc/74/77/06/401747706.db2.gz BYOYQBJQBJJKHG-UHFFFAOYSA-N 0 0 323.352 2.140 10 30 DEEERN N#CCSc1nnc(N)n1Cc1ccc(Br)cc1 ZINC000001923355 401711215 /nfs/dbraw/zinc/71/12/15/401711215.db2.gz GBAAGQWPIFUTMH-UHFFFAOYSA-N 0 0 324.207 2.287 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NC[C@H]2C[C@H]2c2ccccc2)cn1 ZINC000111358439 401713376 /nfs/dbraw/zinc/71/33/76/401713376.db2.gz ISULPSQEXNRHDJ-CJNGLKHVSA-N 0 0 313.382 2.035 10 30 DEEERN C=CCc1cc(-c2cc(C[C@@H](O)CO)ccc2O)ccc1O ZINC000014585210 401811821 /nfs/dbraw/zinc/81/18/21/401811821.db2.gz LHJCLTLPXXKFTJ-OAHLLOKOSA-N 0 0 300.354 2.389 10 30 biogenic DEEERN CCC(C)(CC)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000112828449 401759064 /nfs/dbraw/zinc/75/90/64/401759064.db2.gz LAZJJRZXYWRQQW-UHFFFAOYSA-N 0 0 322.430 2.168 10 30 DEEERN C#CCOc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000128627025 401785409 /nfs/dbraw/zinc/78/54/09/401785409.db2.gz ZCTCYKFAVRZTCN-QGZVFWFLSA-N 0 0 310.401 2.202 10 30 DEEERN C=CC[C@H](C)NC(=O)C(=O)Nc1scc(C)c1C(=O)OCC ZINC000076297838 401789242 /nfs/dbraw/zinc/78/92/42/401789242.db2.gz LBWDMWLLICPQAU-JTQLQIEISA-N 0 0 324.402 2.253 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)Sc1n[nH]c(=O)n1CCC ZINC000023763247 401828358 /nfs/dbraw/zinc/82/83/58/401828358.db2.gz GIBFTKZOCKTQNQ-LLVKDONJSA-N 0 0 312.439 2.299 10 30 DEEERN CCOc1ccccc1CCC(=O)NC1(C#N)CCOCC1 ZINC000115468333 401829086 /nfs/dbraw/zinc/82/90/86/401829086.db2.gz HJGPRAAFUZGXEA-UHFFFAOYSA-N 0 0 302.374 2.207 10 30 DEEERN O=C(/C=C\c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO ZINC000029069864 401854497 /nfs/dbraw/zinc/85/44/97/401854497.db2.gz NCNRHFGMJRPRSK-KTKRTIGZSA-N 0 0 318.354 2.006 10 30 DEEERN O=C(C#Cc1ccccc1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000130000931 401814855 /nfs/dbraw/zinc/81/48/55/401814855.db2.gz WPNKHGJNAYMYFI-FUHWJXTLSA-N 0 0 322.408 2.040 10 30 DEEERN C#CCOc1ccc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000135734669 401952304 /nfs/dbraw/zinc/95/23/04/401952304.db2.gz MUWQPNGPHMXRAC-GOSISDBHSA-N 0 0 322.364 2.387 10 30 DEEERN CC#CCNC(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000136037892 401958042 /nfs/dbraw/zinc/95/80/42/401958042.db2.gz AHHCTUUHQJRSON-UHFFFAOYSA-N 0 0 323.799 2.330 10 30 DEEERN C=C(C)COCCNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000136155359 401961577 /nfs/dbraw/zinc/96/15/77/401961577.db2.gz CUGQQUPSGJTGCK-UHFFFAOYSA-N 0 0 305.374 2.099 10 30 DEEERN C=C(C)COCCNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000136161961 401961938 /nfs/dbraw/zinc/96/19/38/401961938.db2.gz VKEHRNCXSHJZQQ-LSDHHAIUSA-N 0 0 317.385 2.270 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)c1cnc2c(C)cccn2c1=O ZINC000091040599 401990825 /nfs/dbraw/zinc/99/08/25/401990825.db2.gz KIMSKVDNGIUUKB-UHFFFAOYSA-N 0 0 318.336 2.435 10 30 DEEERN CCC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)CCO1 ZINC000089469174 401948419 /nfs/dbraw/zinc/94/84/19/401948419.db2.gz POFXFFJKSUUENI-UKRRQHHQSA-N 0 0 302.374 2.353 10 30 DEEERN C=CCOc1ccc(CN2CCS(=O)(=O)[C@H](C)[C@H]2C)cc1 ZINC000093559253 402016635 /nfs/dbraw/zinc/01/66/35/402016635.db2.gz SHBGVKASESZSPL-ZIAGYGMSSA-N 0 0 309.431 2.259 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000121290445 402025825 /nfs/dbraw/zinc/02/58/25/402025825.db2.gz OUGAQEWCLQKFFR-NUEKZKHPSA-N 0 0 314.385 2.353 10 30 DEEERN C=CCNC(=O)[C@H](C)Nc1ccc(CCC(=O)OCC)cc1 ZINC000151840318 402060239 /nfs/dbraw/zinc/06/02/39/402060239.db2.gz OZTTUQOEQJMHIN-ZDUSSCGKSA-N 0 0 304.390 2.285 10 30 DEEERN C#CCCCCNC(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000152194665 402081162 /nfs/dbraw/zinc/08/11/62/402081162.db2.gz YCRLQOLWSYZFEL-CYBMUJFWSA-N 0 0 303.410 2.339 10 30 DEEERN CCOC(=O)[C@H](CNc1cnc(C#N)cn1)Cc1ccccc1 ZINC000122625161 402087962 /nfs/dbraw/zinc/08/79/62/402087962.db2.gz YSWWRBUSOWGBRL-AWEZNQCLSA-N 0 0 310.357 2.182 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000122854491 402098190 /nfs/dbraw/zinc/09/81/90/402098190.db2.gz ADAKRAPBSIQHSN-KGLIPLIRSA-N 0 0 313.401 2.386 10 30 DEEERN COc1ccc(COc2cccc(-n3cnnn3)c2)cc1C#N ZINC000152834609 402111582 /nfs/dbraw/zinc/11/15/82/402111582.db2.gz AJSZNLBEYGGQMO-UHFFFAOYSA-N 0 0 307.313 2.122 10 30 DEEERN Cc1ncc(CNC(=O)[C@H](C)Oc2ccccc2C#N)s1 ZINC000097726959 402131103 /nfs/dbraw/zinc/13/11/03/402131103.db2.gz XGOANEAXZXYWJD-JTQLQIEISA-N 0 0 301.371 2.407 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)Cn1c(C)c(C)sc1=O ZINC000098105908 402137549 /nfs/dbraw/zinc/13/75/49/402137549.db2.gz QMMJEYXPVIIOJO-UHFFFAOYSA-N 0 0 308.325 2.104 10 30 DEEERN C=CC1CCN(C(=O)N[C@H](C)c2nnc3n2CCCC3)CC1 ZINC000153557484 402153360 /nfs/dbraw/zinc/15/33/60/402153360.db2.gz IDPZOXYLUVHYCS-GFCCVEGCSA-N 0 0 303.410 2.283 10 30 DEEERN CN(Cc1c(F)cccc1Cl)C(=O)Cn1ccnc1C#N ZINC000123909820 402153380 /nfs/dbraw/zinc/15/33/80/402153380.db2.gz QOZFPXPTCMNAGQ-UHFFFAOYSA-N 0 0 306.728 2.206 10 30 DEEERN C=CCN(CCCS(C)(=O)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000103141699 402180214 /nfs/dbraw/zinc/18/02/14/402180214.db2.gz WTMJFCNOCDIXGL-UHFFFAOYSA-N 0 0 312.391 2.018 10 30 DEEERN C=CCN(C)C(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1 ZINC000154136917 402194796 /nfs/dbraw/zinc/19/47/96/402194796.db2.gz LBAPEJOKNNNBBY-KRWDZBQOSA-N 0 0 323.396 2.067 10 30 DEEERN C=CCCCN(C)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000154169149 402197278 /nfs/dbraw/zinc/19/72/78/402197278.db2.gz DFXIONZBHZMIDJ-CYBMUJFWSA-N 0 0 312.410 2.047 10 30 DEEERN C#CCSCCNC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000153690927 402162952 /nfs/dbraw/zinc/16/29/52/402162952.db2.gz ABABFJFACBHQLX-LBPRGKRZSA-N 0 0 322.430 2.430 10 30 DEEERN CCN(CC#N)C(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000067687907 402168052 /nfs/dbraw/zinc/16/80/52/402168052.db2.gz SEYDUNBIBHHCKI-AWEZNQCLSA-N 0 0 321.808 2.466 10 30 DEEERN CC[C@H]1CN(C(=O)c2cccc(C#N)c2)CCN1CC(F)F ZINC000124980675 402206646 /nfs/dbraw/zinc/20/66/46/402206646.db2.gz XGZJCPRXSWCWDW-AWEZNQCLSA-N 0 0 307.344 2.360 10 30 DEEERN C[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)CCCCC#N ZINC000068911660 402209282 /nfs/dbraw/zinc/20/92/82/402209282.db2.gz POGKJNYYNVFVSL-HOCLYGCPSA-N 0 0 322.430 2.472 10 30 DEEERN Cc1nc(Cc2noc([C@@H](C)Oc3ccccc3C#N)n2)no1 ZINC000109511483 402273163 /nfs/dbraw/zinc/27/31/63/402273163.db2.gz DVTVRLXKTPJPCO-SECBINFHSA-N 0 0 311.301 2.364 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1 ZINC000184565575 402276469 /nfs/dbraw/zinc/27/64/69/402276469.db2.gz PKXCBGSAMSEZBQ-WFASDCNBSA-N 0 0 319.405 2.273 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H](O)c1cc(OC)ccc1OC ZINC000184590118 402281153 /nfs/dbraw/zinc/28/11/53/402281153.db2.gz DNHAMWQAEMPOAT-IUODEOHRSA-N 0 0 307.390 2.456 10 30 DEEERN N#Cc1ccc(OC2CN(C[C@@H](O)c3ccc(F)cc3)C2)cc1 ZINC000158575747 402308462 /nfs/dbraw/zinc/30/84/62/402308462.db2.gz ZUHGJCORJWWXIL-GOSISDBHSA-N 0 0 312.344 2.494 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CCO[C@@H](c2ccc(C)o2)C1 ZINC000159209687 402318933 /nfs/dbraw/zinc/31/89/33/402318933.db2.gz MJLZQWBYZZTHQN-MRXNPFEDSA-N 0 0 306.406 2.386 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000185513308 402357773 /nfs/dbraw/zinc/35/77/73/402357773.db2.gz NEURDPXMVSOTJI-ZBFHGGJFSA-N 0 0 302.418 2.404 10 30 DEEERN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1Cc1ccc(C#N)o1 ZINC000185627667 402366157 /nfs/dbraw/zinc/36/61/57/402366157.db2.gz VCZAJLZICRCSQC-INIZCTEOSA-N 0 0 313.332 2.272 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1cc(-c2ccccc2)on1 ZINC000177066677 402366327 /nfs/dbraw/zinc/36/63/27/402366327.db2.gz HNAALPSOIAFTOY-UHFFFAOYSA-N 0 0 306.325 2.482 10 30 DEEERN Clc1ccc(C#CCN2CCN(c3cccnn3)CC2)cc1 ZINC000177097510 402369515 /nfs/dbraw/zinc/36/95/15/402369515.db2.gz XSKJVORBRPANMW-UHFFFAOYSA-N 0 0 312.804 2.304 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000185808139 402379054 /nfs/dbraw/zinc/37/90/54/402379054.db2.gz WGQFCMQKSJENJD-NWDGAFQWSA-N 0 0 304.173 2.080 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCCCN1CCCCCC1=O ZINC000159931687 402333705 /nfs/dbraw/zinc/33/37/05/402333705.db2.gz XLEAOKXCYQZFFQ-UHFFFAOYSA-N 0 0 313.401 2.389 10 30 DEEERN CC(C)OC(=O)[C@H](C)N(C)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000162159489 402411473 /nfs/dbraw/zinc/41/14/73/402411473.db2.gz NMNMEPXKYDOKJY-QWHCGFSZSA-N 0 0 318.373 2.124 10 30 DEEERN COc1ccc(Cn2nc(-c3cccs3)oc2=O)cc1C#N ZINC000162759277 402431249 /nfs/dbraw/zinc/43/12/49/402431249.db2.gz NXNBZTYAYZADFA-UHFFFAOYSA-N 0 0 313.338 2.493 10 30 DEEERN CCN(CC(F)F)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000186450079 402432455 /nfs/dbraw/zinc/43/24/55/402432455.db2.gz YNFUXWDNVZKJGU-UHFFFAOYSA-N 0 0 308.737 2.487 10 30 DEEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc(C#N)ccc1C ZINC000177810350 402438363 /nfs/dbraw/zinc/43/83/63/402438363.db2.gz AOHUITMOXYWPEE-CYBMUJFWSA-N 0 0 310.361 2.423 10 30 DEEERN Cc1nnnn1-c1cccc(NC(=O)c2ccc(C#N)cc2C)c1 ZINC000161503081 402389954 /nfs/dbraw/zinc/38/99/54/402389954.db2.gz WUEAOORWIADMGK-UHFFFAOYSA-N 0 0 318.340 2.403 10 30 DEEERN C#C[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000185973964 402394026 /nfs/dbraw/zinc/39/40/26/402394026.db2.gz JPSBBGRTDUSRGB-NILFDRSVSA-N 0 0 305.809 2.406 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000185974054 402394226 /nfs/dbraw/zinc/39/42/26/402394226.db2.gz YOAFCJOLTKIYHC-KBPBESRZSA-N 0 0 317.414 2.469 10 30 DEEERN CO[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[C@H]1C ZINC000187759823 402510619 /nfs/dbraw/zinc/51/06/19/402510619.db2.gz GCNUVZDHNURLJW-CJNGLKHVSA-N 0 0 302.374 2.015 10 30 DEEERN C[C@H](O)CNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000186664770 402452725 /nfs/dbraw/zinc/45/27/25/402452725.db2.gz UUUJFPTXSJPLRU-ZDUSSCGKSA-N 0 0 309.369 2.405 10 30 DEEERN C=CCn1c(=O)[nH]nc1SCC(=O)c1c[nH]c2ccccc12 ZINC000163643482 402454286 /nfs/dbraw/zinc/45/42/86/402454286.db2.gz DLSPKVPQYGCRCM-UHFFFAOYSA-N 0 0 314.370 2.214 10 30 DEEERN N#CC1(CS(=O)(=O)N2CCC[C@H]2Cc2cccc(F)c2)CC1 ZINC000164745545 402468225 /nfs/dbraw/zinc/46/82/25/402468225.db2.gz YWQCIGRFCMTTQV-HNNXBMFYSA-N 0 0 322.405 2.466 10 30 DEEERN N#Cc1cccc(S(=O)(=O)CCN2CCCC3(CC3)C2)c1 ZINC000187008102 402477767 /nfs/dbraw/zinc/47/77/67/402477767.db2.gz AYWMRCNWHOYOPX-UHFFFAOYSA-N 0 0 304.415 2.208 10 30 DEEERN COC(=O)CCCCCNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187209329 402488086 /nfs/dbraw/zinc/48/80/86/402488086.db2.gz OLESULYORLXZEA-UHFFFAOYSA-N 0 0 314.385 2.439 10 30 DEEERN CC(F)(F)c1cccc(NC(=O)C(=O)N2CCC(C#N)CC2)c1 ZINC000187453726 402501842 /nfs/dbraw/zinc/50/18/42/402501842.db2.gz PSPXBYJXRJYEOV-UHFFFAOYSA-N 0 0 321.327 2.499 10 30 DEEERN CCC(C)(C)c1ccc(CNC(=O)Cn2cnc(C#N)n2)cc1 ZINC000178853697 402546781 /nfs/dbraw/zinc/54/67/81/402546781.db2.gz GWLGKFGYQRSBEN-UHFFFAOYSA-N 0 0 311.389 2.154 10 30 DEEERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCC#N)Cc1ccco1 ZINC000171036218 402551769 /nfs/dbraw/zinc/55/17/69/402551769.db2.gz LYGHMJCKUCTJFF-UHFFFAOYSA-N 0 0 314.301 2.447 10 30 DEEERN N#Cc1ccc(SCC(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000171291932 402575090 /nfs/dbraw/zinc/57/50/90/402575090.db2.gz NHXUCUMRTBKLKJ-OAHLLOKOSA-N 0 0 315.442 2.347 10 30 DEEERN CCN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(C#N)cc1C ZINC000189902457 402565796 /nfs/dbraw/zinc/56/57/96/402565796.db2.gz YGVQOGAYOUULKC-LBPRGKRZSA-N 0 0 300.280 2.252 10 30 DEEERN C=CCC[C@H](C(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000189471005 402539540 /nfs/dbraw/zinc/53/95/40/402539540.db2.gz LKQCUCZQWNIFFL-HOTGVXAUSA-N 0 0 310.401 2.459 10 30 DEEERN N#Cc1ccccc1CSCCNC(=O)N[C@H]1CCCOC1 ZINC000171592466 402598663 /nfs/dbraw/zinc/59/86/63/402598663.db2.gz JLNSCUZUDCQOLO-HNNXBMFYSA-N 0 0 319.430 2.270 10 30 DEEERN COC(=O)[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000179784203 402600104 /nfs/dbraw/zinc/60/01/04/402600104.db2.gz UOLICXQIEVWOAC-AWEZNQCLSA-N 0 0 300.358 2.169 10 30 DEEERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180036705 402605536 /nfs/dbraw/zinc/60/55/36/402605536.db2.gz KVQWGJJJTSGRKE-STQMWFEESA-N 0 0 313.401 2.275 10 30 DEEERN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000248865594 402611689 /nfs/dbraw/zinc/61/16/89/402611689.db2.gz AWENHGNKRDOVQN-XJKSGUPXSA-N 0 0 322.430 2.277 10 30 DEEERN C#CCOc1ccc(CNc2nc(-c3nccn3C)no2)cc1 ZINC000181527912 402648487 /nfs/dbraw/zinc/64/84/87/402648487.db2.gz PTWYESBXJIGXOU-UHFFFAOYSA-N 0 0 309.329 2.094 10 30 DEEERN Cc1noc(C)c1[C@H](C)C(=O)NCCOc1ccc(C#N)cc1 ZINC000173892646 402717544 /nfs/dbraw/zinc/71/75/44/402717544.db2.gz OAJCYSBFJJRNGY-NSHDSACASA-N 0 0 313.357 2.462 10 30 DEEERN CC(=NNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 ZINC000254303666 402670358 /nfs/dbraw/zinc/67/03/58/402670358.db2.gz XWYHVVMKLFVEFW-UHFFFAOYSA-N 0 0 309.778 2.438 10 30 DEEERN COc1cccc(C=NNC(N)=S)c1OCc1ccccc1 ZINC000254734760 402671456 /nfs/dbraw/zinc/67/14/56/402671456.db2.gz JPPYQTXGMRVKRP-UHFFFAOYSA-N 0 0 315.398 2.441 10 30 DEEERN C#CCCCNC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000172926894 402680160 /nfs/dbraw/zinc/68/01/60/402680160.db2.gz NNFHPGGAUYQZPM-UHFFFAOYSA-N 0 0 304.415 2.130 10 30 DEEERN Cc1cccc2c1OCC[C@H]2NC(=O)N[C@H]1CCCNC1=O ZINC000329912650 404492722 /nfs/dbraw/zinc/49/27/22/404492722.db2.gz BIOJJKWBFFBTQG-OLZOCXBDSA-N 0 0 303.362 2.441 10 30 DEEERN C#CCCCNC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000174110585 402727151 /nfs/dbraw/zinc/72/71/51/402727151.db2.gz VHIQSGSPQWFIHA-UHFFFAOYSA-N 0 0 300.406 2.071 10 30 DEEERN CC(C)(C)n1cc(C(=O)NCCOc2ccc(C#N)cc2)cn1 ZINC000174157408 402729001 /nfs/dbraw/zinc/72/90/01/402729001.db2.gz NEFFBILJSCEAMB-UHFFFAOYSA-N 0 0 312.373 2.319 10 30 DEEERN N#Cc1cc(C(=O)NCc2cccc(Cn3ccnc3)c2)ccn1 ZINC000192617194 402740527 /nfs/dbraw/zinc/74/05/27/402740527.db2.gz JNIYRPZPOADHTL-UHFFFAOYSA-N 0 0 317.352 2.128 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1sccc1Br ZINC000183262683 402751749 /nfs/dbraw/zinc/75/17/49/402751749.db2.gz ADNLSQSXNXTMDE-QMMMGPOBSA-N 0 0 319.224 2.247 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cnn(-c2ccccc2)c1C ZINC000183297326 402754116 /nfs/dbraw/zinc/75/41/16/402754116.db2.gz VGQRDDXIPBUSIV-CYBMUJFWSA-N 0 0 300.362 2.239 10 30 DEEERN C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000174767762 402756329 /nfs/dbraw/zinc/75/63/29/402756329.db2.gz CYAGTFXVFTTXSR-SWLSCSKDSA-N 0 0 318.396 2.321 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)c2cnccc2N(C)C)cc1 ZINC000183429858 402766469 /nfs/dbraw/zinc/76/64/69/402766469.db2.gz DAXYEGAMXXMERM-UHFFFAOYSA-N 0 0 324.384 2.316 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000183435639 402766803 /nfs/dbraw/zinc/76/68/03/402766803.db2.gz AAZXOSQREPBCGM-SECBINFHSA-N 0 0 312.753 2.170 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccccc1OCC1CC1 ZINC000183570659 402777351 /nfs/dbraw/zinc/77/73/51/402777351.db2.gz HTGSPUWXQOIFBL-HNNXBMFYSA-N 0 0 304.390 2.212 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCC(C)(C)c1cccc(OC)c1 ZINC000183780090 402797185 /nfs/dbraw/zinc/79/71/85/402797185.db2.gz HHBIEJQIOBHDMM-CQSZACIVSA-N 0 0 306.406 2.209 10 30 DEEERN N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CNC(=O)C3)cc2)cc1 ZINC000194830195 402817729 /nfs/dbraw/zinc/81/77/29/402817729.db2.gz ZIMMJSSBXUFXRU-ZDUSSCGKSA-N 0 0 321.336 2.425 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1cccc(Cn2cccn2)c1 ZINC000175841150 402837499 /nfs/dbraw/zinc/83/74/99/402837499.db2.gz JOURKXBURKWSFQ-UHFFFAOYSA-N 0 0 319.368 2.072 10 30 DEEERN CC(=O)c1ccc(C#N)c(N2CCC[C@H](Cn3cncn3)C2)c1 ZINC000272446975 402938430 /nfs/dbraw/zinc/93/84/30/402938430.db2.gz FLGBXJHHTYLRKO-AWEZNQCLSA-N 0 0 309.373 2.269 10 30 DEEERN C=C(Cl)CNC(=O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000265480119 402922831 /nfs/dbraw/zinc/92/28/31/402922831.db2.gz CNEIFGCFNVNVOO-LBPRGKRZSA-N 0 0 310.806 2.070 10 30 DEEERN C=CCCCN(C)C(=O)CS(=O)(=O)CCCc1ccccc1 ZINC000265486284 402923538 /nfs/dbraw/zinc/92/35/38/402923538.db2.gz GRDLICHOFIXDEF-UHFFFAOYSA-N 0 0 323.458 2.459 10 30 DEEERN CC(C)(C)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C#N)C[C@H]1O ZINC000273313565 402993070 /nfs/dbraw/zinc/99/30/70/402993070.db2.gz NWZHLAQRVIPKIX-QWHCGFSZSA-N 0 0 304.350 2.095 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc2c(c1)CCCN2C(C)=O ZINC000273382198 402999554 /nfs/dbraw/zinc/99/95/54/402999554.db2.gz IOBZTDRKMHJUKU-OAHLLOKOSA-N 0 0 317.389 2.044 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(N2CCOC2=O)ccc1C ZINC000273485537 403008916 /nfs/dbraw/zinc/00/89/16/403008916.db2.gz NDIHAJLRYKSVJU-LBPRGKRZSA-N 0 0 319.361 2.010 10 30 DEEERN C=CCN1CC[C@@H](Sc2nnc(C(F)(F)F)s2)C1=O ZINC000281102848 403058491 /nfs/dbraw/zinc/05/84/91/403058491.db2.gz YKXRBRRQWPPRKV-ZCFIWIBFSA-N 0 0 309.338 2.436 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000281564574 403071660 /nfs/dbraw/zinc/07/16/60/403071660.db2.gz UCSSJEHRZUGXTC-RDJZCZTQSA-N 0 0 316.401 2.380 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000281596777 403073442 /nfs/dbraw/zinc/07/34/42/403073442.db2.gz OCQIIOAHVJIXIX-UHFFFAOYSA-N 0 0 316.810 2.026 10 30 DEEERN C=CCN1CC[C@H](N2CCc3[nH]c4ccc(F)cc4c3C2)C1=O ZINC000281964132 403108953 /nfs/dbraw/zinc/10/89/53/403108953.db2.gz KQVYIJWBFYGHIA-KRWDZBQOSA-N 0 0 313.376 2.452 10 30 DEEERN C=C(C)COc1cccc(NC(=O)[C@]2(C)CCC(=O)NC2)c1 ZINC000281839257 403096744 /nfs/dbraw/zinc/09/67/44/403096744.db2.gz LHJBBIKBRSWCIG-QGZVFWFLSA-N 0 0 302.374 2.496 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CC[C@H](CC)C1 ZINC000283144582 403175497 /nfs/dbraw/zinc/17/54/97/403175497.db2.gz DFORUSPNCDQYEY-KBPBESRZSA-N 0 0 306.410 2.178 10 30 DEEERN C#CC[C@]1(C(=O)N[C@H](C#N)CC)CCCN1C(=O)OC(C)(C)C ZINC000277341220 403207221 /nfs/dbraw/zinc/20/72/21/403207221.db2.gz DOQMBPBAQHHTJZ-SUMWQHHRSA-N 0 0 319.405 2.198 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000277362580 403209453 /nfs/dbraw/zinc/20/94/53/403209453.db2.gz FXBRPAZHNIAXOM-UHFFFAOYSA-N 0 0 306.369 2.122 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CCN(CC(F)F)[C@H](CC)C1 ZINC000283711309 403217353 /nfs/dbraw/zinc/21/73/53/403217353.db2.gz WKTGYULPPYRDGC-CYBMUJFWSA-N 0 0 313.396 2.328 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CCc2c1cccc2F ZINC000285140866 403278192 /nfs/dbraw/zinc/27/81/92/403278192.db2.gz RYMHFSZIUYANGK-OAHLLOKOSA-N 0 0 304.365 2.354 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CCc2c1cccc2F ZINC000285140855 403278209 /nfs/dbraw/zinc/27/82/09/403278209.db2.gz RYMHFSZIUYANGK-HNNXBMFYSA-N 0 0 304.365 2.354 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cnc(OC)c(Cl)c1 ZINC000285148055 403278739 /nfs/dbraw/zinc/27/87/39/403278739.db2.gz YNUUQWAVLDQVRY-MFKMUULPSA-N 0 0 310.781 2.455 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCC1CCOCC1 ZINC000286522210 403533690 /nfs/dbraw/zinc/53/36/90/403533690.db2.gz BIRUQMUOEOSXRJ-QGZVFWFLSA-N 0 0 300.402 2.347 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccc(Cl)cc1OC ZINC000286641503 403537043 /nfs/dbraw/zinc/53/70/43/403537043.db2.gz KGNVIYIBZVTBDK-UHFFFAOYSA-N 0 0 324.808 2.389 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](C)c1csc(CC)n1 ZINC000286934593 403549738 /nfs/dbraw/zinc/54/97/38/403549738.db2.gz LQTWGWYEVMBYJR-NSHDSACASA-N 0 0 309.435 2.307 10 30 DEEERN C=C[C@@](C)(O)CC(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000293756711 403556287 /nfs/dbraw/zinc/55/62/87/403556287.db2.gz LCFYGRWXRZRDCH-CYBMUJFWSA-N 0 0 302.296 2.086 10 30 DEEERN C=CCCCNC(=O)C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000287104872 403553530 /nfs/dbraw/zinc/55/35/30/403553530.db2.gz ZIJYHADDXWTBGQ-UHFFFAOYSA-N 0 0 313.401 2.217 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1sc([C@H]2CCCOC2)nc1C ZINC000346673487 403598202 /nfs/dbraw/zinc/59/82/02/403598202.db2.gz UPOFCELVYUCICV-NWDGAFQWSA-N 0 0 310.419 2.012 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000346740144 403600821 /nfs/dbraw/zinc/60/08/21/403600821.db2.gz GLRVBCSZQNSGPG-JKSUJKDBSA-N 0 0 315.417 2.314 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCOCC1CC1 ZINC000287256199 403561072 /nfs/dbraw/zinc/56/10/72/403561072.db2.gz HOUBWIFXEBUBRX-QGZVFWFLSA-N 0 0 300.402 2.347 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCSCc1ccc(C)cc1 ZINC000346201869 403578430 /nfs/dbraw/zinc/57/84/30/403578430.db2.gz HNGAXIPTUQSIIT-OAHLLOKOSA-N 0 0 308.447 2.464 10 30 DEEERN C=CCC(C)(C)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000293851700 403580700 /nfs/dbraw/zinc/58/07/00/403580700.db2.gz UZYBBHWZOYTXEW-GOEBONIOSA-N 0 0 315.417 2.320 10 30 DEEERN C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(C)cnc1N ZINC000347066127 403614002 /nfs/dbraw/zinc/61/40/02/403614002.db2.gz VPNLGIUNLMFQQL-UHFFFAOYSA-N 0 0 317.414 2.349 10 30 DEEERN C=CCCCN(C)C(=O)Nc1nc(CN2CCOCC2)cs1 ZINC000346992984 403610513 /nfs/dbraw/zinc/61/05/13/403610513.db2.gz RBHQZHLZZSTWDN-UHFFFAOYSA-N 0 0 324.450 2.405 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)OCc1ccccc1)[C@H](C)O ZINC000294053639 403634286 /nfs/dbraw/zinc/63/42/86/403634286.db2.gz OIHRQGFTHBKKHN-DZKIICNBSA-N 0 0 319.401 2.198 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000287619865 403636634 /nfs/dbraw/zinc/63/66/34/403636634.db2.gz BCADKIICLSGQSH-OAHLLOKOSA-N 0 0 303.402 2.230 10 30 DEEERN C=CCO[C@@H]1CCN(c2cc(N3CCC[C@H](C)C3)ncn2)C1 ZINC000302201635 403709138 /nfs/dbraw/zinc/70/91/38/403709138.db2.gz ZLJHZMDYWNOYPB-LSDHHAIUSA-N 0 0 302.422 2.494 10 30 DEEERN Cc1cc(NCCNC(=O)c2cccs2)c(C#N)c(C)n1 ZINC000301805176 403682764 /nfs/dbraw/zinc/68/27/64/403682764.db2.gz XOMGRIJVBHHJHL-UHFFFAOYSA-N 0 0 300.387 2.474 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000287884106 403685182 /nfs/dbraw/zinc/68/51/82/403685182.db2.gz SVJIYFWVGBCWAO-OAQYLSRUSA-N 0 0 301.411 2.045 10 30 DEEERN CCOC(=O)c1sc([C@@H](C)Nc2ccc(C#N)nn2)nc1C ZINC000301916707 403700834 /nfs/dbraw/zinc/70/08/34/403700834.db2.gz DQBDXXZDUBLKCU-SECBINFHSA-N 0 0 317.374 2.463 10 30 DEEERN C=C(CNC(=O)N1CCC(C(=O)N(C)C)CC1)c1ccccc1 ZINC000288001347 403706404 /nfs/dbraw/zinc/70/64/04/403706404.db2.gz LIDLRLVTJZLTKX-UHFFFAOYSA-N 0 0 315.417 2.210 10 30 DEEERN C=CCC(C)(C)C(=O)N1CCS(=O)(=O)C(CC)(CC)C1 ZINC000347610278 403773325 /nfs/dbraw/zinc/77/33/25/403773325.db2.gz WVANQVDAXCZKAI-UHFFFAOYSA-N 0 0 301.452 2.405 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000288055582 403716469 /nfs/dbraw/zinc/71/64/69/403716469.db2.gz FLQMNWVAHXVZRG-QZTJIDSGSA-N 0 0 313.445 2.357 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000288126632 403729777 /nfs/dbraw/zinc/72/97/77/403729777.db2.gz KKCDCHFOGYSAKK-BRWVUGGUSA-N 0 0 300.402 2.081 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCCO[C@H](C)C1 ZINC000288288608 403744990 /nfs/dbraw/zinc/74/49/90/403744990.db2.gz VRYRHTMLFSXTRG-WBVHZDCISA-N 0 0 300.402 2.441 10 30 DEEERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000361933007 403912032 /nfs/dbraw/zinc/91/20/32/403912032.db2.gz SSOKOPXXSPXDRA-SJLPKXTDSA-N 0 0 313.401 2.029 10 30 DEEERN C#Cc1ccc(CNC(=O)c2ccc(OCCCOC)nc2)cc1 ZINC000295542450 403982360 /nfs/dbraw/zinc/98/23/60/403982360.db2.gz SFDWKHPDXUVTNK-UHFFFAOYSA-N 0 0 324.380 2.408 10 30 DEEERN C=CCn1c(Nc2cccc(OC)c2)nnc1[C@H]1COCCO1 ZINC000289686874 403993558 /nfs/dbraw/zinc/99/35/58/403993558.db2.gz NPADUENLKNPHTM-CQSZACIVSA-N 0 0 316.361 2.304 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000344263537 404016171 /nfs/dbraw/zinc/01/61/71/404016171.db2.gz CWWHSBSTZRUIGS-OCCSQVGLSA-N 0 0 322.453 2.491 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@@H]2c3cc(C)ccc3C[C@H]2C)C1=O ZINC000348569013 404078641 /nfs/dbraw/zinc/07/86/41/404078641.db2.gz ZPCOZWUVNPBESX-KCXAZCMYSA-N 0 0 314.385 2.351 10 30 DEEERN N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H]1Cn1cncn1 ZINC000369351711 404060403 /nfs/dbraw/zinc/06/04/03/404060403.db2.gz ANYUEAGDTDYVBT-NSHDSACASA-N 0 0 322.294 2.233 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(c3nc(C)cnc3C)C2)n1 ZINC000328614619 404114602 /nfs/dbraw/zinc/11/46/02/404114602.db2.gz WJLNKDATCKQJGN-CYBMUJFWSA-N 0 0 300.366 2.349 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)CCOC(C)C)C2)n1 ZINC000328613576 404115629 /nfs/dbraw/zinc/11/56/29/404115629.db2.gz SKGVTVNONZXQEN-ZDUSSCGKSA-N 0 0 308.382 2.080 10 30 DEEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)c1c[nH]nc1[C@@H]1CCOC1 ZINC000328680792 404131225 /nfs/dbraw/zinc/13/12/25/404131225.db2.gz CFABBTSBQGEETC-ZYHUDNBSSA-N 0 0 318.377 2.260 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000349352563 404153409 /nfs/dbraw/zinc/15/34/09/404153409.db2.gz QZINOCYCUXTNSV-CQSZACIVSA-N 0 0 305.378 2.340 10 30 DEEERN C[C@@H]1CCC[C@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)[C@H]1C ZINC000363405346 404156987 /nfs/dbraw/zinc/15/69/87/404156987.db2.gz RNCCCJGVGBNEHV-CLWVCHIJSA-N 0 0 304.438 2.193 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cnc(C2CC2)nc1N ZINC000290415571 404159024 /nfs/dbraw/zinc/15/90/24/404159024.db2.gz JITFZJVXVKUIIY-OAHLLOKOSA-N 0 0 320.396 2.301 10 30 DEEERN CC[C@@H]1C[C@H]1NC(=O)N[C@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000328882420 404167342 /nfs/dbraw/zinc/16/73/42/404167342.db2.gz MTNAFNYEWLVKOC-OWCLPIDISA-N 0 0 315.417 2.132 10 30 DEEERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N[C@H]1CCCNC1=O ZINC000328930004 404176830 /nfs/dbraw/zinc/17/68/30/404176830.db2.gz HIAVQKQCGXGPLO-UPJWGTAASA-N 0 0 302.378 2.229 10 30 DEEERN O=C(N[C@H]1CCCNC1=O)[C@H]1CCCN1C(=O)C1CCCC1 ZINC000329175349 404254557 /nfs/dbraw/zinc/25/45/57/404254557.db2.gz MIZKNPUOBNSKGN-QWHCGFSZSA-N 0 0 307.394 2.243 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)c2sccc2C#N)[C@]12CCCO2 ZINC000363976552 404273982 /nfs/dbraw/zinc/27/39/82/404273982.db2.gz SCMAALOLNBYPRK-YWPYICTPSA-N 0 0 306.387 2.076 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(Oc2cccnc2)nc1 ZINC000349855872 404227608 /nfs/dbraw/zinc/22/76/08/404227608.db2.gz DINJJVDDYRCFHQ-ZDUSSCGKSA-N 0 0 314.345 2.327 10 30 DEEERN C=CCOc1cccc(CN(CCO)Cc2ccnn2CC)c1 ZINC000355535917 404348010 /nfs/dbraw/zinc/34/80/10/404348010.db2.gz QPEQKSLXVLASFZ-UHFFFAOYSA-N 0 0 315.417 2.462 10 30 DEEERN CN(Cc1nccn1C)C(=O)NCc1ccn(C2CCCC2)n1 ZINC000329362630 404314024 /nfs/dbraw/zinc/31/40/24/404314024.db2.gz HJIQFKHRPQOMMH-UHFFFAOYSA-N 0 0 316.409 2.278 10 30 DEEERN CC(C)n1ncc2c1C[C@H](NC(=O)c1ccc3nncn3c1)CC2 ZINC000329526085 404364914 /nfs/dbraw/zinc/36/49/14/404364914.db2.gz RGTQFVBTGQBALK-CQSZACIVSA-N 0 0 324.388 2.369 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@@H]1C[C@H](OCC)[C@H]1n1cccn1)OCC ZINC000342114745 404375482 /nfs/dbraw/zinc/37/54/82/404375482.db2.gz CTMJTJFHYRKACO-AESZEHBQSA-N 0 0 321.421 2.089 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N[C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000356053022 404387820 /nfs/dbraw/zinc/38/78/20/404387820.db2.gz MZCRSHXUQDNHBC-SMDDNHRTSA-N 0 0 322.371 2.093 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CC[C@H](C(N)=O)c2ccccc21 ZINC000370447928 404391622 /nfs/dbraw/zinc/39/16/22/404391622.db2.gz RSUWQOVQBBBBAH-KBXCAEBGSA-N 0 0 316.401 2.221 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc3cnccc3c2)C1=O ZINC000296964489 404391911 /nfs/dbraw/zinc/39/19/11/404391911.db2.gz PZMXQFUTFDTCIR-MRXNPFEDSA-N 0 0 324.384 2.485 10 30 DEEERN C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000329607565 404393289 /nfs/dbraw/zinc/39/32/89/404393289.db2.gz CITZOLFRCQBJRD-YUELXQCFSA-N 0 0 308.422 2.359 10 30 DEEERN C=CCOCCCc1nc(-c2ncccc2-n2cccn2)no1 ZINC000350488113 404402161 /nfs/dbraw/zinc/40/21/61/404402161.db2.gz DXZGBXIOXPEUBS-UHFFFAOYSA-N 0 0 311.345 2.453 10 30 DEEERN C=C(C)CCSCC(=O)N[C@@H](C(=O)NC)c1ccccc1 ZINC000350717743 404449546 /nfs/dbraw/zinc/44/95/46/404449546.db2.gz BCYCCMCPYUYRQT-OAHLLOKOSA-N 0 0 306.431 2.289 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)Cc1coc2cc(OC)ccc12 ZINC000342219234 404449747 /nfs/dbraw/zinc/44/97/47/404449747.db2.gz YGGKLZXALQEZQH-GFCCVEGCSA-N 0 0 303.358 2.285 10 30 DEEERN O=C(N[C@@H]1CCc2ccccc2C1)N[C@H]1CCc2c[nH]nc2C1 ZINC000329827570 404463353 /nfs/dbraw/zinc/46/33/53/404463353.db2.gz CUMGPEGBSFDIIR-CVEARBPZSA-N 0 0 310.401 2.328 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)cc1 ZINC000352737300 404584632 /nfs/dbraw/zinc/58/46/32/404584632.db2.gz KHTXNQQZWRELEY-GDBMZVCRSA-N 0 0 321.417 2.139 10 30 DEEERN C=CCOCc1nc([C@@H](C)n2cc(Br)cn2)no1 ZINC000351378388 404567605 /nfs/dbraw/zinc/56/76/05/404567605.db2.gz ICCAYEDEMCYGLX-MRVPVSSYSA-N 0 0 313.155 2.341 10 30 DEEERN C=CCOc1ccc(C(=O)Nc2cn(C)nc2OC)cc1OC ZINC000356675318 404650662 /nfs/dbraw/zinc/65/06/62/404650662.db2.gz OCFHGMCJMFJGIJ-UHFFFAOYSA-N 0 0 317.345 2.254 10 30 DEEERN C#Cc1ccc(CNC(=O)N[C@@H](CC)[C@@H](O)C(F)(F)F)cc1 ZINC000297718620 404600844 /nfs/dbraw/zinc/60/08/44/404600844.db2.gz SISCEPFNZFVNDF-QWHCGFSZSA-N 0 0 314.307 2.169 10 30 DEEERN C#CCn1ccc(C[N@H+](CC)CCCCC2(C)OCCO2)n1 ZINC000297723268 404603382 /nfs/dbraw/zinc/60/33/82/404603382.db2.gz RZXQZVPHTKNZGI-UHFFFAOYSA-N 0 0 305.422 2.272 10 30 DEEERN O=C(N[C@@H]1CCn2ccnc2C1)N[C@@H]1CCc2ccccc2C1 ZINC000330313599 404623537 /nfs/dbraw/zinc/62/35/37/404623537.db2.gz XHWQVYUJXRIKJR-HZPDHXFCSA-N 0 0 310.401 2.259 10 30 DEEERN C=CC[C@@H](C)NC(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000342511167 404625105 /nfs/dbraw/zinc/62/51/05/404625105.db2.gz OOWNEDITURUCNI-HIFRSBDPSA-N 0 0 301.390 2.446 10 30 DEEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)NC[C@]2(C)CCOC2)cn1 ZINC000330349196 404634367 /nfs/dbraw/zinc/63/43/67/404634367.db2.gz JOEBRPCOBYTKQA-LZWOXQAQSA-N 0 0 307.394 2.364 10 30 DEEERN C=C(C)COc1cc(CN2CCO[C@@H]([C@@H](C)O)C2)ccc1OC ZINC000414561845 404682518 /nfs/dbraw/zinc/68/25/18/404682518.db2.gz AJCQNTAGKXMEQN-RDTXWAMCSA-N 0 0 321.417 2.232 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)N1CCO[C@H](C2CCC2)C1 ZINC000414604209 404690489 /nfs/dbraw/zinc/69/04/89/404690489.db2.gz ZCQNMFTXXGJPND-INIZCTEOSA-N 0 0 322.449 2.219 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000357760620 404742624 /nfs/dbraw/zinc/74/26/24/404742624.db2.gz YNLWHAVPEAYJHC-KGLIPLIRSA-N 0 0 310.438 2.121 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)C(=O)NCc1cscn1 ZINC000357860981 404746299 /nfs/dbraw/zinc/74/62/99/404746299.db2.gz FAIOXNWQRSJBPC-UHFFFAOYSA-N 0 0 321.427 2.036 10 30 DEEERN C=CCOc1ccc(C(=O)NC[C@H](CO)C2CC2)cc1OC ZINC000358352986 404760786 /nfs/dbraw/zinc/76/07/86/404760786.db2.gz NUKZNYYUQYROBH-CQSZACIVSA-N 0 0 305.374 2.008 10 30 DEEERN C=CCN(CCOC)C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000359221257 404787387 /nfs/dbraw/zinc/78/73/87/404787387.db2.gz OHVGCWAGYZXVOH-CQSZACIVSA-N 0 0 320.389 2.061 10 30 DEEERN C=C(CNC(=O)c1cnc2c(C)cccn2c1=O)c1ccccc1 ZINC000360213855 404822214 /nfs/dbraw/zinc/82/22/14/404822214.db2.gz RRPLXKBZVQQYHV-UHFFFAOYSA-N 0 0 319.364 2.446 10 30 DEEERN C=C(C)CN(C)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000366994373 404892650 /nfs/dbraw/zinc/89/26/50/404892650.db2.gz BTCXTZQAGXEGGU-HOCLYGCPSA-N 0 0 315.417 2.394 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cnc(C(F)(F)F)cc1C ZINC000353812522 404967432 /nfs/dbraw/zinc/96/74/32/404967432.db2.gz FHVBGFZOLCJFRJ-VIFPVBQESA-N 0 0 303.284 2.467 10 30 DEEERN C=CCCO[C@H](C)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000435292211 404969736 /nfs/dbraw/zinc/96/97/36/404969736.db2.gz YFWKRGXMIWITCC-TZMCWYRMSA-N 0 0 302.374 2.210 10 30 DEEERN C=C(C)COc1cccc(NC(=O)N2CCO[C@H]([C@@H](C)O)C2)c1 ZINC000416794911 404913144 /nfs/dbraw/zinc/91/31/44/404913144.db2.gz RFWPNFRBOVBSFY-CJNGLKHVSA-N 0 0 320.389 2.255 10 30 DEEERN C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000361143541 404941597 /nfs/dbraw/zinc/94/15/97/404941597.db2.gz VHKMWDIRKAQRSV-CJNGLKHVSA-N 0 0 313.401 2.394 10 30 DEEERN C=CCc1ccc(OCC(=O)N2CC[C@@H]2COC)c(OC)c1 ZINC000354034348 405012367 /nfs/dbraw/zinc/01/23/67/405012367.db2.gz FWDWENXLUGLTTQ-CQSZACIVSA-N 0 0 305.374 2.050 10 30 DEEERN C=C(C)CS(=O)(=O)NCCc1ccc(OC)cc1Cl ZINC000435427469 404979164 /nfs/dbraw/zinc/97/91/64/404979164.db2.gz MVDQUQDNXCLKDC-UHFFFAOYSA-N 0 0 303.811 2.387 10 30 DEEERN N#Cc1ccc(C(=O)NCc2cnn(Cc3ccccc3)c2)o1 ZINC000390439358 405044495 /nfs/dbraw/zinc/04/44/95/405044495.db2.gz MBHHSEMCNNNREM-UHFFFAOYSA-N 0 0 306.325 2.326 10 30 DEEERN N#Cc1cccc2c1CN(C[C@@H](O)COCc1ccccc1)C2 ZINC000405067959 405070714 /nfs/dbraw/zinc/07/07/14/405070714.db2.gz ZBMBKTFTMJZREJ-GOSISDBHSA-N 0 0 308.381 2.452 10 30 DEEERN C=CCN(CCOC)C(=O)c1ccc2c(c1O)OC(C)(C)C2 ZINC000436584621 405105033 /nfs/dbraw/zinc/10/50/33/405105033.db2.gz JLVPGVDZHIFREZ-UHFFFAOYSA-N 0 0 305.374 2.380 10 30 DEEERN C=CCCn1cc(C(=O)N2CCC(OCC(C)C)CC2)nn1 ZINC000424593434 405125636 /nfs/dbraw/zinc/12/56/36/405125636.db2.gz KGULAKRZRFDGPB-UHFFFAOYSA-N 0 0 306.410 2.131 10 30 DEEERN N#Cc1cnc2ccccc2c1N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408240494 405149867 /nfs/dbraw/zinc/14/98/67/405149867.db2.gz NJUXVJAWVXDOEK-SFHVURJKSA-N 0 0 306.369 2.213 10 30 DEEERN C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2cc(C#N)cn2C)C1 ZINC000408221755 405143850 /nfs/dbraw/zinc/14/38/50/405143850.db2.gz KZORTZAPDBPEOS-SJCJKPOMSA-N 0 0 303.406 2.204 10 30 DEEERN C=CCC1(C(=O)N2CCC(O[C@H]3CCOC3)CC2)CCOCC1 ZINC000424697673 405152682 /nfs/dbraw/zinc/15/26/82/405152682.db2.gz DIBRNWQISIGWRN-INIZCTEOSA-N 0 0 323.433 2.156 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)c1cc2c(cn1)OCCO2 ZINC000424791340 405178617 /nfs/dbraw/zinc/17/86/17/405178617.db2.gz QEVOQDJFYLPBNQ-UHFFFAOYSA-N 0 0 314.341 2.317 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@@H](c3ccnn3C)C2)CCOCC1 ZINC000424819673 405188271 /nfs/dbraw/zinc/18/82/71/405188271.db2.gz JYMFFCNTSSIOMX-OAHLLOKOSA-N 0 0 317.433 2.499 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCC(CO)(c2ccccc2)CC1 ZINC000452133620 405190807 /nfs/dbraw/zinc/19/08/07/405190807.db2.gz QVZNPFIXCIQHSN-UHFFFAOYSA-N 0 0 323.396 2.063 10 30 DEEERN C=CCC1(C(=O)NC[C@@H](O)Cc2cccc(F)c2)CCOCC1 ZINC000424851513 405197172 /nfs/dbraw/zinc/19/71/72/405197172.db2.gz MQBFDDGASBXLCK-INIZCTEOSA-N 0 0 321.392 2.218 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(CNC(C)=O)s1 ZINC000437514658 405203222 /nfs/dbraw/zinc/20/32/22/405203222.db2.gz CVGIPASDQKNJAU-DOMZBBRYSA-N 0 0 322.430 2.095 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1nc(COC)cs1 ZINC000354423859 405206013 /nfs/dbraw/zinc/20/60/13/405206013.db2.gz SLWQEAHJAASAMY-SNVBAGLBSA-N 0 0 311.407 2.089 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1OCCOC ZINC000424929850 405214587 /nfs/dbraw/zinc/21/45/87/405214587.db2.gz CKFLZENSRYYAKK-ZFWWWQNUSA-N 0 0 305.374 2.033 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@H]1OCCc2ccccc21 ZINC000424932246 405215118 /nfs/dbraw/zinc/21/51/18/405215118.db2.gz MERHURIDWARYSH-XIRDDKMYSA-N 0 0 301.386 2.398 10 30 DEEERN Cn1c(C#N)ccc1C(=O)Nc1ncc(C2CCOCC2)s1 ZINC000452661160 405223260 /nfs/dbraw/zinc/22/32/60/405223260.db2.gz IWWACHRIYDLICM-UHFFFAOYSA-N 0 0 316.386 2.500 10 30 DEEERN C=C(C)CCNC(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000452727470 405234540 /nfs/dbraw/zinc/23/45/40/405234540.db2.gz YLCAHFIKWRHXNI-LLVKDONJSA-N 0 0 308.328 2.400 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1F ZINC000425178744 405254517 /nfs/dbraw/zinc/25/45/17/405254517.db2.gz NCGUISBZZITCDD-CABZTGNLSA-N 0 0 319.785 2.349 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OCCOC)cc1 ZINC000425622208 405308459 /nfs/dbraw/zinc/30/84/59/405308459.db2.gz RLTOYQJEUVJNHV-BBRMVZONSA-N 0 0 320.389 2.424 10 30 DEEERN C=CC1CCN(S(=O)(=O)c2ccc3c(c2)N(C)CC3)CC1 ZINC000440371136 405310831 /nfs/dbraw/zinc/31/08/31/405310831.db2.gz AWZWRVLXCPHWBS-UHFFFAOYSA-N 0 0 306.431 2.266 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(C)ccc1Cl ZINC000425798285 405320534 /nfs/dbraw/zinc/32/05/34/405320534.db2.gz ZGYDMAXJVGXCDY-FZMZJTMJSA-N 0 0 322.792 2.294 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CCO)C1CCCCC1 ZINC000425850331 405324282 /nfs/dbraw/zinc/32/42/82/405324282.db2.gz GCONMIMEEJFZFE-XHSDSOJGSA-N 0 0 310.438 2.208 10 30 DEEERN C=C(CC)CNC(=O)C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000454054881 405294870 /nfs/dbraw/zinc/29/48/70/405294870.db2.gz WDILQQOSJJWYSE-UHFFFAOYSA-N 0 0 318.421 2.489 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCOc1ccc(F)c(Cl)c1 ZINC000455213970 405387593 /nfs/dbraw/zinc/38/75/93/405387593.db2.gz LVSURRSUNUEBAL-JTQLQIEISA-N 0 0 316.760 2.094 10 30 DEEERN C=CCC[C@@H](NC(=O)N1CC[C@H](C(=O)NC)C1)c1ccccc1 ZINC000420815726 405389338 /nfs/dbraw/zinc/38/93/38/405389338.db2.gz JSIPPRNJQMLAAG-JKSUJKDBSA-N 0 0 315.417 2.471 10 30 DEEERN C=C(C)CCNC(=O)N1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000455331193 405398258 /nfs/dbraw/zinc/39/82/58/405398258.db2.gz WKRRQMRLPXSOKJ-CQSZACIVSA-N 0 0 306.410 2.086 10 30 DEEERN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)COCC)c1 ZINC000427480075 405408194 /nfs/dbraw/zinc/40/81/94/405408194.db2.gz NSYLMZRPUHULRU-ZDUSSCGKSA-N 0 0 320.389 2.121 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N2CC(C)(OCC)C2)cc1 ZINC000454545867 405361602 /nfs/dbraw/zinc/36/16/02/405361602.db2.gz SYBQQGRUKBUJHB-UHFFFAOYSA-N 0 0 317.389 2.245 10 30 DEEERN CCN(CCNC(=O)c1ccc(C#N)n1C)c1ccccc1C ZINC000448710882 405440193 /nfs/dbraw/zinc/44/01/93/405440193.db2.gz WBPLAUBCXFHUEO-UHFFFAOYSA-N 0 0 310.401 2.462 10 30 DEEERN CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C#N)n1C ZINC000448845430 405455392 /nfs/dbraw/zinc/45/53/92/405455392.db2.gz PZEVZLCEZAKPOX-HNNXBMFYSA-N 0 0 302.422 2.281 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000633295440 405556098 /nfs/dbraw/zinc/55/60/98/405556098.db2.gz OKSXSXBLFNOKGB-UONOGXRCSA-N 0 0 307.438 2.431 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000633411145 405628642 /nfs/dbraw/zinc/62/86/42/405628642.db2.gz YOOVSOGBVHMNOI-ZIAGYGMSSA-N 0 0 307.438 2.289 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000633485562 405670039 /nfs/dbraw/zinc/67/00/39/405670039.db2.gz GKTXJULOEQNJHP-MCAJLIOHSA-N 0 0 305.418 2.479 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1cc(C(F)(F)F)cnc1C ZINC000636006429 405673368 /nfs/dbraw/zinc/67/33/68/405673368.db2.gz ZLTSUWLNOZUCNH-NSHDSACASA-N 0 0 302.296 2.466 10 30 DEEERN C=CC(C)(C)CNC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000458988903 405680514 /nfs/dbraw/zinc/68/05/14/405680514.db2.gz OKSYYKJOIOTIRQ-ZIAGYGMSSA-N 0 0 310.438 2.066 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@]1(C)CCN(C)C1=O ZINC000636029340 405693264 /nfs/dbraw/zinc/69/32/64/405693264.db2.gz WIRCGYHPPYCDIQ-QAPCUYQASA-N 0 0 300.402 2.158 10 30 DEEERN C=C[C@H](CO)NC(=O)NCc1c(Cl)cccc1OC(F)F ZINC000633553553 405710908 /nfs/dbraw/zinc/71/09/08/405710908.db2.gz YTZYKAJZJDYZEY-MRVPVSSYSA-N 0 0 320.723 2.288 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CC1CCN(CC(F)F)CC1 ZINC000636056150 405711118 /nfs/dbraw/zinc/71/11/18/405711118.db2.gz JHSNQOPFZXDEDY-KBPBESRZSA-N 0 0 316.392 2.061 10 30 DEEERN CC#CC[C@H](CO)NC(=O)Cc1coc2c1ccc(OC)c2C ZINC000633591658 405733938 /nfs/dbraw/zinc/73/39/38/405733938.db2.gz ZNKDMNOWUNKOFB-CQSZACIVSA-N 0 0 315.369 2.183 10 30 DEEERN C=CCC1(NC(=O)Cc2cnn3c2CCCC3)CCOCC1 ZINC000633642461 405762243 /nfs/dbraw/zinc/76/22/43/405762243.db2.gz WHJSXVKQFNYNCP-UHFFFAOYSA-N 0 0 303.406 2.003 10 30 DEEERN C=C1CC(C)(C(=O)N2CCN(Cc3ccc(O)cc3)CC2)C1 ZINC000633898478 405898497 /nfs/dbraw/zinc/89/84/97/405898497.db2.gz JGTYHMVKJADFEH-UHFFFAOYSA-N 0 0 300.402 2.393 10 30 DEEERN C=CCOCC(=O)N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000634028429 405967858 /nfs/dbraw/zinc/96/78/58/405967858.db2.gz GYUGHGFJVIBVQM-SNPRPXQTSA-N 0 0 322.202 2.406 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1cccc(OC)c1 ZINC000636453081 405968110 /nfs/dbraw/zinc/96/81/10/405968110.db2.gz OTWMEYZEASRZLD-UHFFFAOYSA-N 0 0 304.390 2.030 10 30 DEEERN COC(=O)[C@@H](CNC(=O)Cc1cccc(C#N)c1)CC(C)C ZINC000531391888 405952098 /nfs/dbraw/zinc/95/20/98/405952098.db2.gz YTRJFIMQMIGXMR-OAHLLOKOSA-N 0 0 302.374 2.052 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000457583077 405905813 /nfs/dbraw/zinc/90/58/13/405905813.db2.gz VMYCYNYVXIIHRF-AAEUAGOBSA-N 0 0 306.362 2.103 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1csc(C)n1 ZINC000636489431 405985845 /nfs/dbraw/zinc/98/58/45/405985845.db2.gz CTOFDISKJWMMIX-UHFFFAOYSA-N 0 0 309.435 2.176 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCc3nc(C)ncc3C2)C1 ZINC000636529216 406001098 /nfs/dbraw/zinc/00/10/98/406001098.db2.gz TZZUJDHETWRUMY-UKRRQHHQSA-N 0 0 300.406 2.250 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000566565269 406089642 /nfs/dbraw/zinc/08/96/42/406089642.db2.gz GENIYZOTZPOHFI-HIFRSBDPSA-N 0 0 305.422 2.342 10 30 DEEERN CC1(C)CC(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000516527921 406096456 /nfs/dbraw/zinc/09/64/56/406096456.db2.gz DWDFQLPHCVKQGQ-UHFFFAOYSA-N 0 0 312.417 2.428 10 30 DEEERN C=CCn1c(N(C)C[C@@H]2CCCOC2)nnc1[C@@]1(C)CCCO1 ZINC000562790917 406055593 /nfs/dbraw/zinc/05/55/93/406055593.db2.gz NDPDTKLEVAQKCK-WMLDXEAASA-N 0 0 320.437 2.353 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@H]1c1cccnc1 ZINC000459886454 406064457 /nfs/dbraw/zinc/06/44/57/406064457.db2.gz ZZJMXTHYULRITP-HNNXBMFYSA-N 0 0 301.390 2.170 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000460017784 406074302 /nfs/dbraw/zinc/07/43/02/406074302.db2.gz USJUDDGYWYFQSC-INIZCTEOSA-N 0 0 318.392 2.394 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@H](OCC)[C@H]1n1cccn1 ZINC000565643306 406075737 /nfs/dbraw/zinc/07/57/37/406075737.db2.gz MPIDMEBTUGMPNQ-WCVJEAGWSA-N 0 0 318.421 2.352 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000636771988 406077629 /nfs/dbraw/zinc/07/76/29/406077629.db2.gz SWAUFZYHNCJBQL-BFHYXJOUSA-N 0 0 322.449 2.025 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000516910000 406109908 /nfs/dbraw/zinc/10/99/08/406109908.db2.gz AJKZIFHBRRYGER-NCOADZHNSA-N 0 0 316.401 2.407 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(C)(F)CC1 ZINC000634373514 406118139 /nfs/dbraw/zinc/11/81/39/406118139.db2.gz FYWOTFKTVGGOIQ-ZDUSSCGKSA-N 0 0 324.400 2.271 10 30 DEEERN C[C@@H](CNc1c(C#N)nnc2ccccc21)N1CCCCC1=O ZINC000471822988 406121547 /nfs/dbraw/zinc/12/15/47/406121547.db2.gz BZRULFISGSUYOI-LBPRGKRZSA-N 0 0 309.373 2.314 10 30 DEEERN CC(=O)CCCCCNS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000632415586 406127900 /nfs/dbraw/zinc/12/79/00/406127900.db2.gz BECWXGZQJQITFN-UHFFFAOYSA-N 0 0 322.430 2.321 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)NCC2CSC2)cc1 ZINC000639568735 406149609 /nfs/dbraw/zinc/14/96/09/406149609.db2.gz HYMGCYWELGSINT-UHFFFAOYSA-N 0 0 305.403 2.087 10 30 DEEERN C=C1CC(C)(C(=O)N2CCS(=O)(=O)c3ccccc3C2)C1 ZINC000632555045 406180471 /nfs/dbraw/zinc/18/04/71/406180471.db2.gz VJKIKXTZBABWQM-UHFFFAOYSA-N 0 0 305.399 2.159 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)NC1CN(c2ccncn2)C1 ZINC000637262273 406233143 /nfs/dbraw/zinc/23/31/43/406233143.db2.gz ABIZKTIDIHRKKL-ZFWWWQNUSA-N 0 0 315.421 2.099 10 30 DEEERN CC(=O)c1cccc(S(=O)(=O)N(C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000632665295 406220280 /nfs/dbraw/zinc/22/02/80/406220280.db2.gz LJFMHOJHFSUEJR-DZGCQCFKSA-N 0 0 306.387 2.202 10 30 DEEERN C=CCCC1(CNC(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)CCCC1 ZINC000637262215 406233667 /nfs/dbraw/zinc/23/36/67/406233667.db2.gz DYJPXNREHOVDGU-OKILXGFUSA-N 0 0 307.438 2.418 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1 ZINC000637263108 406233676 /nfs/dbraw/zinc/23/36/76/406233676.db2.gz DWJZXMOJZNCWIP-UKRRQHHQSA-N 0 0 313.401 2.182 10 30 DEEERN C=CC(C)(C)CCNC(=O)N(C)CCN1CCOC(C)(C)C1 ZINC000637322814 406258772 /nfs/dbraw/zinc/25/87/72/406258772.db2.gz CKCYFADCYMQEHI-UHFFFAOYSA-N 0 0 311.470 2.341 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCO[C@@H](C(F)F)CC1 ZINC000634751581 406264534 /nfs/dbraw/zinc/26/45/34/406264534.db2.gz SXTRBZIGVJSNCW-CHWSQXEVSA-N 0 0 304.381 2.156 10 30 DEEERN C=CCCC[C@H](C)Nc1nc2ccccc2c(NCCO)n1 ZINC000537190902 406284957 /nfs/dbraw/zinc/28/49/57/406284957.db2.gz GIWKRQWBRPVQGA-ZDUSSCGKSA-N 0 0 300.406 2.035 10 30 DEEERN C=CCCCCCNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000570105349 406347136 /nfs/dbraw/zinc/34/71/36/406347136.db2.gz YYYZFNWZAHKKJP-ZIAGYGMSSA-N 0 0 306.406 2.024 10 30 DEEERN Cc1ccncc1N(C)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000545212684 406302991 /nfs/dbraw/zinc/30/29/91/406302991.db2.gz VEDZHWJIYOZJKS-UHFFFAOYSA-N 0 0 305.334 2.226 10 30 DEEERN N#Cc1cccc(Cc2nc([C@H]3CC(=O)N(CC4CC4)C3)no2)c1 ZINC000547219329 406393312 /nfs/dbraw/zinc/39/33/12/406393312.db2.gz ZYKHIBXBDCJPBB-HNNXBMFYSA-N 0 0 322.368 2.258 10 30 DEEERN C=CCCCS(=O)(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000489611807 406422068 /nfs/dbraw/zinc/42/20/68/406422068.db2.gz OIKDKJGRGXFPHH-CYBMUJFWSA-N 0 0 317.451 2.336 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c(C)onc1-c1cccnc1 ZINC000570676495 406424558 /nfs/dbraw/zinc/42/45/58/406424558.db2.gz RDBBZYNDGXOFRQ-JSGCOSHPSA-N 0 0 313.357 2.366 10 30 DEEERN C=C1CC(C)(C(=O)NCc2ccncc2OC[C@@H]2CCOC2)C1 ZINC000633091092 406378069 /nfs/dbraw/zinc/37/80/69/406378069.db2.gz OSARVNYIGFJMLT-CQSZACIVSA-N 0 0 316.401 2.469 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000635275733 406484058 /nfs/dbraw/zinc/48/40/58/406484058.db2.gz LDPNIIZQYUKNLJ-HEHGZKQESA-N 0 0 316.401 2.426 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1c2c(ccc1F)OCO2 ZINC000635146680 406440442 /nfs/dbraw/zinc/44/04/42/406440442.db2.gz UFKBXMXSQMLHJA-JTQLQIEISA-N 0 0 320.320 2.060 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC)cc2F)C1 ZINC000635218184 406463177 /nfs/dbraw/zinc/46/31/77/406463177.db2.gz YFNAXJVFFIGHOA-NSHDSACASA-N 0 0 306.337 2.197 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2CC2CCC2)C1 ZINC000635217702 406463200 /nfs/dbraw/zinc/46/32/00/406463200.db2.gz SBNYTVKSUFILEW-CYBMUJFWSA-N 0 0 316.405 2.046 10 30 DEEERN Cc1cnc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)s1 ZINC000571711866 406556042 /nfs/dbraw/zinc/55/60/42/406556042.db2.gz BMBFHFNXHQWPNI-OAHLLOKOSA-N 0 0 323.418 2.329 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cnc(CC2CC2)nc1 ZINC000571754290 406560588 /nfs/dbraw/zinc/56/05/88/406560588.db2.gz HMYAQPPBIMWCGL-KGLIPLIRSA-N 0 0 302.378 2.284 10 30 DEEERN C=CCn1c(-c2scnc2C)nnc1N1CC(C)(OC)C1 ZINC000571324994 406507292 /nfs/dbraw/zinc/50/72/92/406507292.db2.gz HMTHYLFOABBUSM-UHFFFAOYSA-N 0 0 305.407 2.121 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCOc2ccccc21 ZINC000573114244 406769761 /nfs/dbraw/zinc/76/97/61/406769761.db2.gz LBDUOYJLBBFFQQ-DZKIICNBSA-N 0 0 316.401 2.443 10 30 DEEERN C=CCn1c(C(C)C)nnc1N1CC[C@@H](Nc2ncccn2)C1 ZINC000573966015 406778499 /nfs/dbraw/zinc/77/84/99/406778499.db2.gz NCAZQEANVFHTFG-CYBMUJFWSA-N 0 0 313.409 2.068 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NCc1nc2sc(C)c(C)c2c(N)n1 ZINC000574011846 406778973 /nfs/dbraw/zinc/77/89/73/406778973.db2.gz GTUVFPWJOHWULF-MNOVXSKESA-N 0 0 304.419 2.323 10 30 DEEERN C=CCCCCCNC(=O)NCC1(C(=O)OC)CCOCC1 ZINC000574291710 406781576 /nfs/dbraw/zinc/78/15/76/406781576.db2.gz ZDAGEODEZDYCMZ-UHFFFAOYSA-N 0 0 312.410 2.002 10 30 DEEERN C=CCC1(C(=O)N2CC[C@@H](Oc3ccncc3)C2)CCOCC1 ZINC000574313111 406781609 /nfs/dbraw/zinc/78/16/09/406781609.db2.gz XMZHTFJMLQXYFU-MRXNPFEDSA-N 0 0 316.401 2.434 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1cc(C(=O)OC)co1 ZINC000574412777 406783009 /nfs/dbraw/zinc/78/30/09/406783009.db2.gz BALHYBNMFBZLII-UHFFFAOYSA-N 0 0 301.364 2.091 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](CO)c1sccc1C ZINC000575093711 406789759 /nfs/dbraw/zinc/78/97/59/406789759.db2.gz PEZSARWGYVXGGM-AGIUHOORSA-N 0 0 310.419 2.123 10 30 DEEERN COc1ccc([C@@]2(C)N(O)[C@H](C)C(c3cccs3)=[N+]2[O-])cc1 ZINC000575346902 406806939 /nfs/dbraw/zinc/80/69/39/406806939.db2.gz IRQQBVBWVZGYEK-BXTIPBLWSA-N 0 0 319.406 2.319 10 30 DEEERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(C#N)c1Br ZINC000575383419 406807793 /nfs/dbraw/zinc/80/77/93/406807793.db2.gz FTKCWAOCXDVNHY-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cncn1C ZINC000554536347 406808873 /nfs/dbraw/zinc/80/88/73/406808873.db2.gz RVIHGLOYNOUEFD-UHFFFAOYSA-N 0 0 314.345 2.086 10 30 DEEERN CCOC(=O)Cc1cc(C#N)c(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575395876 406808850 /nfs/dbraw/zinc/80/88/50/406808850.db2.gz UJOWAQOTCXRNRL-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN CCOc1cc(N)c(I)cc1CC#N ZINC000575718066 406823293 /nfs/dbraw/zinc/82/32/93/406823293.db2.gz ORHGUAXJRZBFBK-UHFFFAOYSA-N 0 0 302.115 2.338 10 30 DEEERN C=CCN(Cc1cccs1)S(=O)(=O)CC(C)(C)OC ZINC000576789944 406833067 /nfs/dbraw/zinc/83/30/67/406833067.db2.gz GPKQVNMYVRJCGC-UHFFFAOYSA-N 0 0 303.449 2.491 10 30 DEEERN C[C@H](CC(=O)N[C@H](C#N)C1CCCCC1)N1CCCCC1=O ZINC000189213735 533677646 /nfs/dbraw/zinc/67/76/46/533677646.db2.gz IJTGRYMSOXDNNV-UKRRQHHQSA-N 0 0 305.422 2.366 10 30 DEEERN C#CC[C@H](CC)NS(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000129165518 196025701 /nfs/dbraw/zinc/02/57/01/196025701.db2.gz QUGYCBOZOXVNRT-QMMMGPOBSA-N 0 0 304.774 2.142 10 30 DEEERN CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CSC(=O)N1 ZINC000131553599 196179183 /nfs/dbraw/zinc/17/91/83/196179183.db2.gz XVAQXVVYRGSIPO-GFCCVEGCSA-N 0 0 304.375 2.144 10 30 DEEERN Cn1cc(C#N)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000131903702 196208907 /nfs/dbraw/zinc/20/89/07/196208907.db2.gz BGWSDCWCJKPJEX-UHFFFAOYSA-N 0 0 305.681 2.106 10 30 DEEERN CCc1cc(C#N)c(NC(=O)[C@@H]2CSCN2C(C)=O)s1 ZINC000132796953 196284685 /nfs/dbraw/zinc/28/46/85/196284685.db2.gz VHUAMGMBTBQSSB-NSHDSACASA-N 0 0 309.416 2.042 10 30 DEEERN N#Cc1ncn(Cc2ccc(Br)c(N)c2)c1C#N ZINC000134153062 196365663 /nfs/dbraw/zinc/36/56/63/196365663.db2.gz NJVPTSDHIVFZJF-UHFFFAOYSA-N 0 0 302.135 2.019 10 30 DEEERN N#C[C@@H](NC(=O)c1cc(N2CCCC2=O)ccc1Cl)C1CC1 ZINC000134306620 196377425 /nfs/dbraw/zinc/37/74/25/196377425.db2.gz ZYOYWUCSEXGGLO-CQSZACIVSA-N 0 0 317.776 2.499 10 30 DEEERN C=CCCCN(C)C(=O)CCn1c2ccccc2n(C)c1=O ZINC000135102532 196444811 /nfs/dbraw/zinc/44/48/11/196444811.db2.gz FJSOQNNCZYAVAS-UHFFFAOYSA-N 0 0 301.390 2.155 10 30 DEEERN C=CCN(CCO)c1ccc(Br)cc1[N+](=O)[O-] ZINC000135260576 196457319 /nfs/dbraw/zinc/45/73/19/196457319.db2.gz RLQYIWXSGASGDL-UHFFFAOYSA-N 0 0 301.140 2.342 10 30 DEEERN N#CCCCCNC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000176590788 224823167 /nfs/dbraw/zinc/82/31/67/224823167.db2.gz ROLIQLMPARRDPJ-LBPRGKRZSA-N 0 0 321.812 2.307 10 30 DEEERN COCCc1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)n(C)n1 ZINC000188751981 225031480 /nfs/dbraw/zinc/03/14/80/225031480.db2.gz FSGJWMNADWFKMT-UHFFFAOYSA-N 0 0 324.384 2.151 10 30 DEEERN CCn1cc([C@@H]2CN(CC#Cc3ccc(F)cc3)CCO2)cn1 ZINC000190774477 225094689 /nfs/dbraw/zinc/09/46/89/225094689.db2.gz BOSKNZBLEQPNQK-SFHVURJKSA-N 0 0 313.376 2.467 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2ncc(F)cc2F)cc1 ZINC000192352417 225133086 /nfs/dbraw/zinc/13/30/86/225133086.db2.gz MGUGHFQOOCTRKN-UHFFFAOYSA-N 0 0 303.268 2.040 10 30 DEEERN O=C(CCc1ccoc1)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000328637529 225776861 /nfs/dbraw/zinc/77/68/61/225776861.db2.gz ORIWHEWCNWWTLO-CYBMUJFWSA-N 0 0 316.361 2.333 10 30 DEEERN C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccc(N3CCOCC3)nc2)O1 ZINC000328845044 225805333 /nfs/dbraw/zinc/80/53/33/225805333.db2.gz VHGNVTIIAXURSI-JMSVASOKSA-N 0 0 305.378 2.320 10 30 DEEERN O=C(NCCCN1CCOCC1)c1coc(Br)c1 ZINC000330388878 226000925 /nfs/dbraw/zinc/00/09/25/226000925.db2.gz DLTUKHRCXLMUBI-UHFFFAOYSA-N 0 0 317.183 2.069 10 30 DEEERN N#C[C@@H]1CN(C(=O)CCn2ccc3ccccc32)CCN1C1CC1 ZINC000371623230 227074284 /nfs/dbraw/zinc/07/42/84/227074284.db2.gz YAHPMQBBMMDBDJ-QGZVFWFLSA-N 0 0 322.412 2.230 10 30 DEEERN Cc1ccn2c(c1)nnc2NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000088253730 418492483 /nfs/dbraw/zinc/49/24/83/418492483.db2.gz LAYABPWKTTZDQT-GFCCVEGCSA-N 0 0 321.340 2.315 10 30 DEEERN N#C[C@H]1CN(C(=O)[C@@H](F)CC2CCCCC2)CCN1C1CC1 ZINC000373578065 227115519 /nfs/dbraw/zinc/11/55/19/227115519.db2.gz QOWZDAWRHYZYRM-HOTGVXAUSA-N 0 0 307.413 2.494 10 30 DEEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@@H]1c1ccco1 ZINC000407974130 227224546 /nfs/dbraw/zinc/22/45/46/227224546.db2.gz CHYYNOLCUCHXRH-CHWSQXEVSA-N 0 0 311.407 2.285 10 30 DEEERN Cc1nc(CN2CCN(c3ccc(C)c(C#N)n3)CC2)oc1C ZINC000302617807 230320450 /nfs/dbraw/zinc/32/04/50/230320450.db2.gz GGLNMKRTLUGEAC-UHFFFAOYSA-N 0 0 311.389 2.189 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCC(C)C)n2)C1 ZINC000627733742 421864682 /nfs/dbraw/zinc/86/46/82/421864682.db2.gz BZLLZQDATWSYAF-AWEZNQCLSA-N 0 0 318.421 2.292 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCC(C)C)n2)C1 ZINC000627733743 421866170 /nfs/dbraw/zinc/86/61/70/421866170.db2.gz BZLLZQDATWSYAF-CQSZACIVSA-N 0 0 318.421 2.292 10 30 DEEERN CCOc1cccc(CCNC(=O)Nc2nn(C)cc2C#N)c1 ZINC000610923042 422473497 /nfs/dbraw/zinc/47/34/97/422473497.db2.gz MIJGXMMSHYYFGR-UHFFFAOYSA-N 0 0 313.361 2.055 10 30 DEEERN C=CCOc1cccnc1C(=O)Nc1n[nH]c2cc(F)ccc21 ZINC000356843658 424813253 /nfs/dbraw/zinc/81/32/53/424813253.db2.gz UUHJPUFCANCQMT-UHFFFAOYSA-N 0 0 312.304 2.914 10 30 DEEERN COC(=O)c1ccccc1NC(=O)C(=O)C=C(O)C(C)(C)C ZINC000101022297 424846281 /nfs/dbraw/zinc/84/62/81/424846281.db2.gz WASXMLQZZHBOEK-XFXZXTDPSA-N 0 0 305.330 2.469 10 30 DEEERN N#Cc1cc(C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)ccn1 ZINC000193801689 424871475 /nfs/dbraw/zinc/87/14/75/424871475.db2.gz LYEWVZXSNKYBGS-MRXNPFEDSA-N 0 0 311.316 2.386 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C)n([C@H](C)C2CC2)n1 ZINC000567893476 424916578 /nfs/dbraw/zinc/91/65/78/424916578.db2.gz HDFAHGIWFBMJSX-SNPRPXQTSA-N 0 0 318.421 2.875 10 30 DEEERN C#Cc1cccc(NC(=O)N2CCC[C@H](c3ccnc(N)n3)C2)c1 ZINC000375070538 424891603 /nfs/dbraw/zinc/89/16/03/424891603.db2.gz NPHFCJIVGJCVBB-AWEZNQCLSA-N 0 0 321.384 2.452 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1c(C(F)(F)F)nc2ccccn21 ZINC000416194585 424956644 /nfs/dbraw/zinc/95/66/44/424956644.db2.gz DQDSXBUMFDBWNU-VIFPVBQESA-N 0 0 313.279 2.020 10 30 DEEERN C=C(C)Cn1c(Nc2cnn(C)c2)nnc1[C@H]1CCCS1 ZINC000581245253 424972627 /nfs/dbraw/zinc/97/26/27/424972627.db2.gz DYXPFPZMAGULNZ-GFCCVEGCSA-N 0 0 304.423 2.899 10 30 DEEERN C=C(C)COCCNc1ncnc2c(OC)cc(OC)cc12 ZINC000432831296 425018945 /nfs/dbraw/zinc/01/89/45/425018945.db2.gz XFYAQHJTISUQDH-UHFFFAOYSA-N 0 0 303.362 2.652 10 30 DEEERN C=CCOCCCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000596472302 425025325 /nfs/dbraw/zinc/02/53/25/425025325.db2.gz DUXBLWZCMRSBBT-UHFFFAOYSA-N 0 0 312.329 3.019 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000597863777 425035237 /nfs/dbraw/zinc/03/52/37/425035237.db2.gz IHOROQXZAOTNIV-AAEUAGOBSA-N 0 0 318.377 2.896 10 30 DEEERN COc1cccc(CCNC(=O)Cc2cccc(C#N)c2)c1OC ZINC000531385080 267654261 /nfs/dbraw/zinc/65/42/61/267654261.db2.gz JKLKTTOQRSFZDL-UHFFFAOYSA-N 0 0 324.380 2.477 10 30 DEEERN C[C@@H](NC(=O)Cc1cccc(C#N)c1)c1nnc2ccccn21 ZINC000531149133 267709420 /nfs/dbraw/zinc/70/94/20/267709420.db2.gz CUWULGKSOLITGY-GFCCVEGCSA-N 0 0 305.341 2.021 10 30 DEEERN N#Cc1ccc(NC(=O)C(=O)N2CCC23CCC3)c(Cl)c1 ZINC000441511096 268237885 /nfs/dbraw/zinc/23/78/85/268237885.db2.gz MCNQKYNKCSAHNN-UHFFFAOYSA-N 0 0 303.749 2.305 10 30 DEEERN N#Cc1cccc(CC(=O)N[C@@H]2CCN(c3ncccc3F)C2)c1 ZINC000530796245 268276772 /nfs/dbraw/zinc/27/67/72/268276772.db2.gz ZJGNLKSHRIENEE-OAHLLOKOSA-N 0 0 324.359 2.030 10 30 DEEERN N#Cc1nccn1CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000179159220 268331012 /nfs/dbraw/zinc/33/10/12/268331012.db2.gz DBGAYXUCSGBPDN-UHFFFAOYSA-N 0 0 309.373 2.384 10 30 DEEERN CCc1c(C)sc(NC(=O)COc2cnn(C)c2)c1C#N ZINC000443530091 269139612 /nfs/dbraw/zinc/13/96/12/269139612.db2.gz IEUMPGKLDQABMQ-UHFFFAOYSA-N 0 0 304.375 2.242 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)CCCO ZINC000452439570 269142130 /nfs/dbraw/zinc/14/21/30/269142130.db2.gz HSNOSXQLFUNSPK-YOEHRIQHSA-N 0 0 318.417 2.486 10 30 DEEERN Cc1cccn2c1ncc(C(=O)Nc1cccc(C#N)c1C)c2=O ZINC000180428175 274813039 /nfs/dbraw/zinc/81/30/39/274813039.db2.gz BKCNYEXZGSPKIF-UHFFFAOYSA-N 0 0 318.336 2.435 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN2CCOc3cccc1c32 ZINC000365134224 276874274 /nfs/dbraw/zinc/87/42/74/276874274.db2.gz FIZIDFCUFWKVOK-CXAGYDPISA-N 0 0 314.385 2.213 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)C(=O)N1CCc2cc(F)c(F)cc21 ZINC000427683237 276923246 /nfs/dbraw/zinc/92/32/46/276923246.db2.gz SGBQNBUZSFBLIZ-LBPRGKRZSA-N 0 0 320.339 2.421 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)OCC ZINC000358222987 277789349 /nfs/dbraw/zinc/78/93/49/277789349.db2.gz LBSGOCWCJWZMHQ-RHSMWYFYSA-N 0 0 311.422 2.154 10 30 DEEERN C[C@@H]1CN(C(=O)Nc2ccc3nc(N(C)C)oc3c2)CCC1=O ZINC000328993252 288067696 /nfs/dbraw/zinc/06/76/96/288067696.db2.gz VUSLCGVONFSWLY-SNVBAGLBSA-N 0 0 316.361 2.350 10 30 DEEERN CC[C@H](NC(=O)NCCOc1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000126365138 281831874 /nfs/dbraw/zinc/83/18/74/281831874.db2.gz RBHPCRQVTAYEOS-JKSUJKDBSA-N 0 0 317.389 2.194 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000333261600 294822127 /nfs/dbraw/zinc/82/21/27/294822127.db2.gz CODKLYUSTJDVTQ-YRCZHWOXSA-N 0 0 301.434 2.353 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CCc2ccccc23)CCN1C1CC1 ZINC000369762792 303161356 /nfs/dbraw/zinc/16/13/56/303161356.db2.gz JUCFVPOBUYOUKY-IMFGXOCKSA-N 0 0 321.424 2.089 10 30 DEEERN N#Cc1cc(F)c(N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c(F)c1 ZINC000408171533 303182040 /nfs/dbraw/zinc/18/20/40/303182040.db2.gz KNOCRSVCZSARHM-GLQYFDAESA-N 0 0 308.328 2.203 10 30 DEEERN N#Cc1cnc2ccccc2c1N1CCN(c2cccnn2)CC1 ZINC000174711410 325741205 /nfs/dbraw/zinc/74/12/05/325741205.db2.gz NJLSGRKNCMAENL-UHFFFAOYSA-N 0 0 316.368 2.223 10 30 DEEERN C=C(C)CS(=O)(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000292891528 335097395 /nfs/dbraw/zinc/09/73/95/335097395.db2.gz ZOYNFZLBRICRSJ-UHFFFAOYSA-N 0 0 308.325 2.138 10 30 DEEERN C=CCN(CCOC)C(=O)NC[C@H]1CSc2ccccc2O1 ZINC000563050498 333192623 /nfs/dbraw/zinc/19/26/23/333192623.db2.gz WMSOZUCRSUYQAK-ZDUSSCGKSA-N 0 0 322.430 2.384 10 30 DEEERN C=CCn1c(-c2scnc2C)nnc1N1CC[C@H](COC)C1 ZINC000563124620 333394557 /nfs/dbraw/zinc/39/45/57/333394557.db2.gz GZXCTYQUAQDJAB-LBPRGKRZSA-N 0 0 319.434 2.369 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccsc1C(=O)OC ZINC000567485484 334354898 /nfs/dbraw/zinc/35/48/98/334354898.db2.gz HNYBZAUDYPFGAT-UHFFFAOYSA-N 0 0 324.402 2.336 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1csc([C@@H]2CCCO2)n1 ZINC000583495155 334712117 /nfs/dbraw/zinc/71/21/17/334712117.db2.gz SEQGLJCLCGNBQV-DRZSPHRISA-N 0 0 308.403 2.316 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000563953402 336388705 /nfs/dbraw/zinc/38/87/05/336388705.db2.gz KEPLTXDLTNOPMI-XPABHHOTSA-N 0 0 308.422 2.080 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000582237533 336389888 /nfs/dbraw/zinc/38/98/88/336389888.db2.gz UAACMGIDJQHIGY-XQQFMLRXSA-N 0 0 323.405 2.322 10 30 DEEERN C=CCNC(=O)c1cccc(S(=O)(=O)NC2(CC)CCC2)c1 ZINC000358891069 336646363 /nfs/dbraw/zinc/64/63/63/336646363.db2.gz XLLAIJINURSWEZ-UHFFFAOYSA-N 0 0 322.430 2.213 10 30 DEEERN C=CCOC[C@@H](NC(=O)c1cccc(SCC)c1)C(=O)OC ZINC000360736562 336720959 /nfs/dbraw/zinc/72/09/59/336720959.db2.gz KBNZUOYPOCKBDD-CQSZACIVSA-N 0 0 323.414 2.273 10 30 DEEERN C#CCOc1ccccc1NC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000376590629 337037396 /nfs/dbraw/zinc/03/73/96/337037396.db2.gz WQJGTIRADJELKC-VMZNBEPHSA-N 0 0 314.385 2.323 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000173078808 337131983 /nfs/dbraw/zinc/13/19/83/337131983.db2.gz VFXADSAKLYGMOL-MRXNPFEDSA-N 0 0 315.417 2.358 10 30 DEEERN Cc1nnc([C@@H]2CN(CC#Cc3ccc(Cl)cc3)CCO2)[nH]1 ZINC000177350333 337157136 /nfs/dbraw/zinc/15/71/36/337157136.db2.gz VJLOLGVZXDDWEV-HNNXBMFYSA-N 0 0 316.792 2.192 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185367458 337204432 /nfs/dbraw/zinc/20/44/32/337204432.db2.gz LYEWIFJMJSNEEP-ZDUSSCGKSA-N 0 0 324.446 2.155 10 30 DEEERN CNC(=O)Nc1nccc2nc(N3CCC[C@@H](C#N)C3)sc21 ZINC000584649868 337380654 /nfs/dbraw/zinc/38/06/54/337380654.db2.gz SFEVJRLHDZPTOZ-VIFPVBQESA-N 0 0 316.390 2.183 10 30 DEEERN C=CCC1(CNS(=O)(=O)C[C@H](OC)C2CC2)CCCC1 ZINC000571876911 337580201 /nfs/dbraw/zinc/58/02/01/337580201.db2.gz BCSALAPBTURKDB-AWEZNQCLSA-N 0 0 301.452 2.467 10 30 DEEERN C=CCCC[C@@H](C)Nc1nc2ccccc2c(NCCO)n1 ZINC000537190901 337910295 /nfs/dbraw/zinc/91/02/95/337910295.db2.gz GIWKRQWBRPVQGA-CYBMUJFWSA-N 0 0 300.406 2.035 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1Nc1cnn(Cc2ccccc2)c(=O)c1 ZINC000515986732 338002113 /nfs/dbraw/zinc/00/21/13/338002113.db2.gz LEDISIKOHXHWOO-SJORKVTESA-N 0 0 311.385 2.437 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCCC[C@H]1CC ZINC000430412674 338106698 /nfs/dbraw/zinc/10/66/98/338106698.db2.gz IEJKQJBPCXUIIG-XHSDSOJGSA-N 0 0 322.449 2.265 10 30 DEEERN COC(C)(C)CN(C)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000541867264 340986490 /nfs/dbraw/zinc/98/64/90/340986490.db2.gz LFSOFFGPTUDKGZ-MRXNPFEDSA-N 0 0 312.410 2.131 10 30 DEEERN C[C@@H](C#N)CNC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000541947542 340990894 /nfs/dbraw/zinc/99/08/94/340990894.db2.gz HXVLLCZEYDKTEU-QWHCGFSZSA-N 0 0 309.410 2.299 10 30 DEEERN CO[C@H](C)c1cccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)c1 ZINC000132348128 341121113 /nfs/dbraw/zinc/12/11/13/341121113.db2.gz CKJHHERYPSLXES-VXGBXAGGSA-N 0 0 303.362 2.093 10 30 DEEERN C=CCCc1ccccc1NC(=O)NC[C@@H](C)S(C)(=O)=O ZINC000548812206 341276662 /nfs/dbraw/zinc/27/66/62/341276662.db2.gz IIMMTRTVSOYVFL-GFCCVEGCSA-N 0 0 310.419 2.360 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000248392206 341376304 /nfs/dbraw/zinc/37/63/04/341376304.db2.gz DZLXQZDGBHNVCL-JHJVBQTASA-N 0 0 309.410 2.488 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000248912972 341389995 /nfs/dbraw/zinc/38/99/95/341389995.db2.gz VQXBWQHSTAFJOZ-BZUAXINKSA-N 0 0 304.390 2.143 10 30 DEEERN C=C(C)COCCNC(=O)N[C@@H](c1ccccc1F)[C@@H](C)O ZINC000565603488 341532510 /nfs/dbraw/zinc/53/25/10/341532510.db2.gz JYCSUVZVMOSPQB-IUODEOHRSA-N 0 0 310.369 2.140 10 30 DEEERN C=CCn1cc(CNC(=O)N[C@H]2CCCC[C@H]2C(C)C)nn1 ZINC000566141628 341548827 /nfs/dbraw/zinc/54/88/27/341548827.db2.gz LAMLOGICXKPQEV-GJZGRUSLSA-N 0 0 305.426 2.478 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CCCC(C)(C)C1 ZINC000569078109 341690100 /nfs/dbraw/zinc/69/01/00/341690100.db2.gz JGXAKMFYZYPHTG-UHFFFAOYSA-N 0 0 315.425 2.194 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C(=O)NC(C)C)cc1 ZINC000576979061 341873206 /nfs/dbraw/zinc/87/32/06/341873206.db2.gz BBSNPEGSZGOCPH-HOTGVXAUSA-N 0 0 316.401 2.146 10 30 DEEERN C=CCn1c(CC)nnc1N1CCO[C@H](c2cccc(O)c2)C1 ZINC000577426959 341909453 /nfs/dbraw/zinc/90/94/53/341909453.db2.gz ODVHJEBGXQGBOI-HNNXBMFYSA-N 0 0 314.389 2.310 10 30 DEEERN C[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H]2Cn2ccnn2)[C@H]1C ZINC000328969620 533815183 /nfs/dbraw/zinc/81/51/83/533815183.db2.gz OFVBVKFGGPHGTR-QPSCCSFWSA-N 0 0 305.426 2.481 10 30 DEEERN C[C@H]1CN([C@H](CNC(=O)C(C)(C)C#N)c2cccs2)CCO1 ZINC000246716139 533974371 /nfs/dbraw/zinc/97/43/71/533974371.db2.gz FWWUYFJMSGDGRJ-QWHCGFSZSA-N 0 0 321.446 2.176 10 30 DEEERN COc1ccccc1NC1CCN(c2ccc(C#N)nn2)CC1 ZINC000301985793 534184554 /nfs/dbraw/zinc/18/45/54/534184554.db2.gz ZCTNENQWUFHQOD-UHFFFAOYSA-N 0 0 309.373 2.438 10 30 DEEERN C[C@H](CC(=O)NCc1noc(C2CC2)n1)N1CCCCC1=O ZINC000328737436 534299374 /nfs/dbraw/zinc/29/93/74/534299374.db2.gz GYWTXNVZIJCFQA-SNVBAGLBSA-N 0 0 306.366 2.195 10 30 DEEERN Cc1nc(CN(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)no1 ZINC000447543063 534341357 /nfs/dbraw/zinc/34/13/57/534341357.db2.gz QLRFUCRTUJVBPD-UHFFFAOYSA-N 0 0 323.312 2.177 10 30 DEEERN Cc1nc(C[C@@H]2CCCN(c3nnc(C)c(C)c3C#N)C2)no1 ZINC000299629740 534412468 /nfs/dbraw/zinc/41/24/68/534412468.db2.gz SMPZEFIUPQMPBF-ZDUSSCGKSA-N 0 0 312.377 2.116 10 30 DEEERN N#CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000194129405 534573123 /nfs/dbraw/zinc/57/31/23/534573123.db2.gz HTSYZZLNZGCICH-UHFFFAOYSA-N 0 0 323.374 2.490 10 30 DEEERN C=CCC1(CNC(=O)CNC(=O)c2cccnc2)CCCC1 ZINC000456488693 534598011 /nfs/dbraw/zinc/59/80/11/534598011.db2.gz RWDHGSNOOTXODJ-UHFFFAOYSA-N 0 0 301.390 2.064 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(OC)c(OC)c1OC ZINC000454721974 534604172 /nfs/dbraw/zinc/60/41/72/534604172.db2.gz VSOYPHVKNRDGAG-PWSUYJOCSA-N 0 0 322.361 2.177 10 30 DEEERN C=CCCCCNC(=O)N[C@@H]1C[C@H](OCC)[C@@H]1n1cccn1 ZINC000454809608 534685561 /nfs/dbraw/zinc/68/55/61/534685561.db2.gz JUFMVNHQGYIKDB-QLFBSQMISA-N 0 0 306.410 2.257 10 30 DEEERN COc1ccc(C=NNC2=NC(=O)[C@H](C(C)C)S2)cc1OC ZINC000006201173 523444072 /nfs/dbraw/zinc/44/40/72/523444072.db2.gz DNHYWLKRCKJISG-MJOIQJIUSA-N 0 0 321.402 2.281 10 30 DEEERN C=CCCCN(C)c1nnc(-c2nnn(C)c2C)n1CC(=C)C ZINC000453453627 534715784 /nfs/dbraw/zinc/71/57/84/534715784.db2.gz AFARFJCDGSNKNF-UHFFFAOYSA-N 0 0 315.425 2.361 10 30 DEEERN N#C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000183223862 534747229 /nfs/dbraw/zinc/74/72/29/534747229.db2.gz JNYBPFNHROPAAK-JTQLQIEISA-N 0 0 311.244 2.228 10 30 DEEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCO[C@H](C2CC2)C1 ZINC000328732133 534758452 /nfs/dbraw/zinc/75/84/52/534758452.db2.gz GZMBENJJKLFLIU-QWHCGFSZSA-N 0 0 307.394 2.053 10 30 DEEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)c1c[nH]nc1[C@H]1CCOC1 ZINC000328680791 534759131 /nfs/dbraw/zinc/75/91/31/534759131.db2.gz CFABBTSBQGEETC-CMPLNLGQSA-N 0 0 318.377 2.260 10 30 DEEERN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H]1c1cnn(C)c1 ZINC000247646389 524277695 /nfs/dbraw/zinc/27/76/95/524277695.db2.gz ULFHUYGJGBBDIA-GUYCJALGSA-N 0 0 323.400 2.456 10 30 DEEERN N#Cc1ccc(N2CCC(c3nnc4ccccn43)CC2)cn1 ZINC000301605232 534790168 /nfs/dbraw/zinc/79/01/68/534790168.db2.gz YCSSTFAFJSPIBR-UHFFFAOYSA-N 0 0 304.357 2.380 10 30 DEEERN CC#CCCCC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000366956149 526301828 /nfs/dbraw/zinc/30/18/28/526301828.db2.gz SSYYDSUDMGXKPQ-WBVHZDCISA-N 0 0 312.413 2.486 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000338836149 526481577 /nfs/dbraw/zinc/48/15/77/526481577.db2.gz YKYWKZIJZZQVMM-UHFFFAOYSA-N 0 0 315.295 2.382 10 30 DEEERN C=C(C)CN(C)C(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000183051656 526495841 /nfs/dbraw/zinc/49/58/41/526495841.db2.gz KYOMORONDOSNJC-LBPRGKRZSA-N 0 0 308.328 2.352 10 30 DEEERN C=CCN1CC[C@H](N(C)CC(=O)c2cc(C)n(CC)c2C)C1=O ZINC000337203145 526499494 /nfs/dbraw/zinc/49/94/94/526499494.db2.gz GBQPRYDIZXODMP-INIZCTEOSA-N 0 0 317.433 2.026 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CCC[C@H](Cc2noc(C)n2)C1 ZINC000195517972 526523797 /nfs/dbraw/zinc/52/37/97/526523797.db2.gz FTNIAGMVXRULSP-OAHLLOKOSA-N 0 0 320.437 2.057 10 30 DEEERN N#Cc1c[nH]c(C(=O)N2CCC[C@]2(CO)Cc2ccccc2)c1 ZINC000365024158 526535507 /nfs/dbraw/zinc/53/55/07/526535507.db2.gz BBPMGGRMTANQQY-GOSISDBHSA-N 0 0 309.369 2.096 10 30 DEEERN C=CCNC(=O)CNc1c(C#N)cnc2ccc(C(C)C)cc21 ZINC000447667741 526542185 /nfs/dbraw/zinc/54/21/85/526542185.db2.gz FPKMFYVDUGHIAL-UHFFFAOYSA-N 0 0 308.385 2.366 10 30 DEEERN CC(=O)N1CCC[C@@H]1C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000361933006 526575754 /nfs/dbraw/zinc/57/57/54/526575754.db2.gz SSOKOPXXSPXDRA-AEFFLSMTSA-N 0 0 313.401 2.029 10 30 DEEERN C=C(C)CNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000338837318 526609390 /nfs/dbraw/zinc/60/93/90/526609390.db2.gz VHSPPOJUKTXYLR-UHFFFAOYSA-N 0 0 301.268 2.040 10 30 DEEERN C=C(C)COCCNC(=O)[C@H](C)Cn1ncc2ccccc21 ZINC000341473886 526649774 /nfs/dbraw/zinc/64/97/74/526649774.db2.gz IFGZXERMMDETQJ-CQSZACIVSA-N 0 0 301.390 2.381 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCOC[C@H]2C)cc1 ZINC000194095948 526651955 /nfs/dbraw/zinc/65/19/55/526651955.db2.gz JDCPAZNHFQYVSF-DOMZBBRYSA-N 0 0 302.374 2.214 10 30 DEEERN C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](C)C(C)C)c1 ZINC000352485848 526659735 /nfs/dbraw/zinc/65/97/35/526659735.db2.gz IMUFUOGBPGDTQK-ZDUSSCGKSA-N 0 0 324.446 2.173 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000376601876 526670588 /nfs/dbraw/zinc/67/05/88/526670588.db2.gz IZCQCSHZPXOYEU-UHFFFAOYSA-N 0 0 324.424 2.397 10 30 DEEERN C#CCC(CC#C)C(=O)NCCCOCc1ccc(OC)cc1 ZINC000287475144 526672683 /nfs/dbraw/zinc/67/26/83/526672683.db2.gz CKMVSRRKQOTZNN-UHFFFAOYSA-N 0 0 313.397 2.381 10 30 DEEERN C#CCCCS(=O)(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000368233838 526720497 /nfs/dbraw/zinc/72/04/97/526720497.db2.gz ZMYZKEYMDSXUJI-CVEARBPZSA-N 0 0 307.415 2.240 10 30 DEEERN C=CCOCCCC(=O)N1CCNC[C@@H]1c1ccccc1OC ZINC000261916580 526734767 /nfs/dbraw/zinc/73/47/67/526734767.db2.gz ICRXZTCMLIBSBG-MRXNPFEDSA-N 0 0 318.417 2.151 10 30 DEEERN C=CCOCCCN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000356062399 526751264 /nfs/dbraw/zinc/75/12/64/526751264.db2.gz QEXYTKWTMBUXDW-MRXNPFEDSA-N 0 0 306.337 2.185 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(CC(=O)OC)cc1 ZINC000336927433 526764282 /nfs/dbraw/zinc/76/42/82/526764282.db2.gz YBFBRYRCOJTCHW-HOCLYGCPSA-N 0 0 303.358 2.322 10 30 DEEERN C=C(Cl)CNC(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000369488770 526888301 /nfs/dbraw/zinc/88/83/01/526888301.db2.gz YFHAYNZSSWGZQD-UHFFFAOYSA-N 0 0 319.796 2.371 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000171579762 526923580 /nfs/dbraw/zinc/92/35/80/526923580.db2.gz RNGJXYLABPIBBT-AWEZNQCLSA-N 0 0 312.373 2.320 10 30 DEEERN C=CCOc1cccnc1C(=O)NCC[C@@H](OC)C(F)(F)F ZINC000347485568 526961943 /nfs/dbraw/zinc/96/19/43/526961943.db2.gz FOSBZNDBYOIFKZ-LLVKDONJSA-N 0 0 318.295 2.344 10 30 DEEERN C=CCSCCNC(=O)NCCCNC(=O)c1ccccc1 ZINC000338423437 526991484 /nfs/dbraw/zinc/99/14/84/526991484.db2.gz OBGRQICKJXYEQE-UHFFFAOYSA-N 0 0 321.446 2.025 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@H](NC(=O)CCC)C2)CCOCC1 ZINC000424645293 527042087 /nfs/dbraw/zinc/04/20/87/527042087.db2.gz SPNLYWOFJXFTJT-HNNXBMFYSA-N 0 0 322.449 2.267 10 30 DEEERN C=CCC1(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)CCC1 ZINC000374766022 527055497 /nfs/dbraw/zinc/05/54/97/527055497.db2.gz URVDQFWFDGIPNP-HUUCEWRRSA-N 0 0 307.434 2.417 10 30 DEEERN C=CCCC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccco1 ZINC000336890829 527071597 /nfs/dbraw/zinc/07/15/97/527071597.db2.gz NGYITRJCDOKSDS-CYBMUJFWSA-N 0 0 308.403 2.106 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCc1cc(Br)cs1 ZINC000185814035 527087765 /nfs/dbraw/zinc/08/77/65/527087765.db2.gz WKDWEDIACKUPHU-JTQLQIEISA-N 0 0 318.236 2.496 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cccc(OCc2cscn2)c1 ZINC000337050513 527099584 /nfs/dbraw/zinc/09/95/84/527099584.db2.gz JFHRDWCGKIGYAP-ZDUSSCGKSA-N 0 0 318.398 2.389 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1nccn1CC ZINC000296597351 527161842 /nfs/dbraw/zinc/16/18/42/527161842.db2.gz KUALTCXEQADSCB-INIZCTEOSA-N 0 0 310.401 2.337 10 30 DEEERN C#CC[C@@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000371312900 527162638 /nfs/dbraw/zinc/16/26/38/527162638.db2.gz FGAKFXOSAYTXNC-QZTJIDSGSA-N 0 0 322.412 2.133 10 30 DEEERN C#CC[C@@H](NC(=O)N[C@@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000368192293 527163318 /nfs/dbraw/zinc/16/33/18/527163318.db2.gz XGKYSRHKZSTKIX-HUUCEWRRSA-N 0 0 308.385 2.331 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCCC(=O)NCCC ZINC000287478615 527171493 /nfs/dbraw/zinc/17/14/93/527171493.db2.gz XIXAOXBCCMIRRY-QGZVFWFLSA-N 0 0 314.429 2.434 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1nccn1C ZINC000288265174 527171675 /nfs/dbraw/zinc/17/16/75/527171675.db2.gz UMCVTVCENKQTDY-MRXNPFEDSA-N 0 0 310.401 2.196 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CO)C1 ZINC000288112377 527172131 /nfs/dbraw/zinc/17/21/31/527172131.db2.gz JLUXHKZMTIGNII-DLBZAZTESA-N 0 0 300.402 2.035 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCC[C@H](C)CCO ZINC000297572983 527172614 /nfs/dbraw/zinc/17/26/14/527172614.db2.gz BZHIACRFMYSGKQ-DOTOQJQBSA-N 0 0 302.418 2.329 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](C2CC2)C1 ZINC000376561271 527172917 /nfs/dbraw/zinc/17/29/17/527172917.db2.gz HNYVXCWGEIFOGL-QZTJIDSGSA-N 0 0 312.413 2.441 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCc2ccc(F)cc2C1 ZINC000297601799 527175857 /nfs/dbraw/zinc/17/58/57/527175857.db2.gz GCFRTEACCCRNCF-UHFFFAOYSA-N 0 0 304.365 2.135 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21 ZINC000341886611 527184196 /nfs/dbraw/zinc/18/41/96/527184196.db2.gz JZJOXLWFUCCCHC-OWCLPIDISA-N 0 0 307.438 2.241 10 30 DEEERN CC(=O)c1cc(C#N)ccc1NC(=O)c1cn(CC2CC2)nn1 ZINC000411052953 527185178 /nfs/dbraw/zinc/18/51/78/527185178.db2.gz CNOUIZYOZRLHDP-UHFFFAOYSA-N 0 0 309.329 2.015 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1 ZINC000337045567 527203723 /nfs/dbraw/zinc/20/37/23/527203723.db2.gz FIPGSVGQVZYAJT-BXUZGUMPSA-N 0 0 322.430 2.179 10 30 DEEERN C=CCCCNC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000344453263 527225865 /nfs/dbraw/zinc/22/58/65/527225865.db2.gz YZDXOBSXQDFFTM-GFCCVEGCSA-N 0 0 308.328 2.400 10 30 DEEERN C=CCc1cc(C(=O)N2CC[C@H]2COC)cc(OC)c1OC ZINC000294432613 527231593 /nfs/dbraw/zinc/23/15/93/527231593.db2.gz SLAJUXVPFLMSTA-AWEZNQCLSA-N 0 0 305.374 2.293 10 30 DEEERN C=CCc1cc(C(=O)N2CC[C@@]23CCOC3)cc(OC)c1OC ZINC000422080265 527232179 /nfs/dbraw/zinc/23/21/79/527232179.db2.gz FWDOSHRNJOXPOK-SFHVURJKSA-N 0 0 317.385 2.437 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@H]1CC12CCSCC2 ZINC000422321801 527255611 /nfs/dbraw/zinc/25/56/11/527255611.db2.gz PDZXBJIRARPSCM-ZIAGYGMSSA-N 0 0 324.490 2.497 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000180568580 527268455 /nfs/dbraw/zinc/26/84/55/527268455.db2.gz PTPCDIQVCSBKNO-CABCVRRESA-N 0 0 317.437 2.489 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N1CCO[C@H](C)C1 ZINC000337898408 527320348 /nfs/dbraw/zinc/32/03/48/527320348.db2.gz GKFYGZMJGCAZKH-CYBMUJFWSA-N 0 0 302.378 2.067 10 30 DEEERN CC(=O)c1ccc2c(c1)CN(S(=O)(=O)CC1(C#N)CCC1)C2 ZINC000416580432 527346587 /nfs/dbraw/zinc/34/65/87/527346587.db2.gz FSHTVUNUYMGUQV-UHFFFAOYSA-N 0 0 318.398 2.228 10 30 DEEERN C=CCn1c([C@@H]2CCCS2)nnc1N(C)CCn1cccn1 ZINC000424133206 527351661 /nfs/dbraw/zinc/35/16/61/527351661.db2.gz YXDLCTPRRZPPGM-ZDUSSCGKSA-N 0 0 318.450 2.365 10 30 DEEERN C=CCCOCCNC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000245671594 527355783 /nfs/dbraw/zinc/35/57/83/527355783.db2.gz POKZNZDALXQSTM-BRWVUGGUSA-N 0 0 300.402 2.464 10 30 DEEERN C=CCn1c([C@H]2CCCO2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC000333268323 527358713 /nfs/dbraw/zinc/35/87/13/527358713.db2.gz VOGDZDLPGMGGQS-QWHCGFSZSA-N 0 0 306.410 2.319 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCN(c2cnccc2C)CC1 ZINC000337316492 527374148 /nfs/dbraw/zinc/37/41/48/527374148.db2.gz YMPKZORVTLHQTP-HNNXBMFYSA-N 0 0 303.406 2.020 10 30 DEEERN C=CCCO[C@H](C)c1nc(-c2ccc(S(N)(=O)=O)cc2)no1 ZINC000337998246 527404884 /nfs/dbraw/zinc/40/48/84/527404884.db2.gz NIRIRDNGXOCEIB-SNVBAGLBSA-N 0 0 323.374 2.038 10 30 DEEERN C=CCCO[C@H](C)c1nc(-c2ccc(CC(N)=O)cc2)no1 ZINC000357140245 527405167 /nfs/dbraw/zinc/40/51/67/527405167.db2.gz HEBSZZDHBPSCFC-LLVKDONJSA-N 0 0 301.346 2.418 10 30 DEEERN C#Cc1ccc(CNC(=O)[C@@H](C)OC[C@@H]2CCCCO2)cc1 ZINC000295474669 527437375 /nfs/dbraw/zinc/43/73/75/527437375.db2.gz NNOPQHDDDHPVNV-PBHICJAKSA-N 0 0 301.386 2.258 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCOCc1ccccc1 ZINC000425466112 527495341 /nfs/dbraw/zinc/49/53/41/527495341.db2.gz AYRNPSOUYJOVBF-HOTGVXAUSA-N 0 0 304.390 2.094 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(C(F)F)cc1 ZINC000425178362 527499460 /nfs/dbraw/zinc/49/94/60/527499460.db2.gz LGZBRQZFOQSZHL-AAEUAGOBSA-N 0 0 317.357 2.494 10 30 DEEERN C=CCN(C(=O)NC1CCN(c2ccccn2)CC1)C1CC1 ZINC000374470015 527538498 /nfs/dbraw/zinc/53/84/98/527538498.db2.gz IDUBVRABVXVZAT-UHFFFAOYSA-N 0 0 300.406 2.410 10 30 DEEERN C=CCN(C(=O)N[C@H](CC(=O)NC)c1ccccc1)C1CC1 ZINC000431100863 527540301 /nfs/dbraw/zinc/54/03/01/527540301.db2.gz OFGKRUUUXFOWGA-OAHLLOKOSA-N 0 0 301.390 2.224 10 30 DEEERN C=C[C@H](C)NC(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000362372165 527559123 /nfs/dbraw/zinc/55/91/23/527559123.db2.gz XVKYTPOZKKTNEL-LBPRGKRZSA-N 0 0 307.369 2.240 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000299296950 527586573 /nfs/dbraw/zinc/58/65/73/527586573.db2.gz MJJPBRAWKRLGSQ-LBPRGKRZSA-N 0 0 313.275 2.345 10 30 DEEERN C=CCN(CC=C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184619891 527625183 /nfs/dbraw/zinc/62/51/83/527625183.db2.gz QNMXWPANJITOSS-UHFFFAOYSA-N 0 0 308.345 2.345 10 30 DEEERN C=C[C@](C)(O)CC(=O)N[C@@H](CC(=O)OCC)c1ccccc1 ZINC000353342409 527636555 /nfs/dbraw/zinc/63/65/55/527636555.db2.gz DTMSTRMZWCYTHX-YOEHRIQHSA-N 0 0 305.374 2.124 10 30 DEEERN CC(C)CCN(CCC#N)C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000103440641 527713220 /nfs/dbraw/zinc/71/32/20/527713220.db2.gz HNNHPTBKTVQYFS-CYBMUJFWSA-N 0 0 305.378 2.186 10 30 DEEERN CCN1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1=O ZINC000191537258 527911905 /nfs/dbraw/zinc/91/19/05/527911905.db2.gz NBORAJQFMOSWGE-UHFFFAOYSA-N 0 0 312.291 2.058 10 30 DEEERN CCN(CCNC(=O)N1CC(O)(C2CC2)C1)c1cccc(C)c1 ZINC000329437013 528319090 /nfs/dbraw/zinc/31/90/90/528319090.db2.gz JYBXYBGRDMXSSY-UHFFFAOYSA-N 0 0 317.433 2.192 10 30 DEEERN CC(C)Cn1ccnc1CNC(=O)c1cccc(F)c1C#N ZINC000189859623 528732725 /nfs/dbraw/zinc/73/27/25/528732725.db2.gz KPCVTACPWYWZIU-UHFFFAOYSA-N 0 0 300.337 2.480 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)CCc3ccoc3)C2)n1 ZINC000328613694 528746813 /nfs/dbraw/zinc/74/68/13/528746813.db2.gz TUTDBSVZXCSSFF-AWEZNQCLSA-N 0 0 316.361 2.490 10 30 DEEERN CC(C)[C@@H]1C[C@@H](CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCO1 ZINC000370069790 528755444 /nfs/dbraw/zinc/75/54/44/528755444.db2.gz KJQFREYNDDGZCO-UAGQMJEPSA-N 0 0 319.449 2.026 10 30 DEEERN CCOC(=O)C[C@@H](C)CNC(=O)NCC1CCC(C#N)CC1 ZINC000441037715 528856690 /nfs/dbraw/zinc/85/66/90/528856690.db2.gz RJUMMPVXTJGNPY-IYXRBSQSSA-N 0 0 309.410 2.205 10 30 DEEERN CC(C)C(=O)N1CCC(NC(=O)c2cccc(F)c2C#N)CC1 ZINC000188985031 535372873 /nfs/dbraw/zinc/37/28/73/535372873.db2.gz KHVWLQUDPLDEKK-UHFFFAOYSA-N 0 0 317.364 2.074 10 30 DEEERN CCOC(=O)C[C@H](C)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188520068 535729920 /nfs/dbraw/zinc/72/99/20/535729920.db2.gz QVGVLWGRTAOQSF-LBPRGKRZSA-N 0 0 300.358 2.048 10 30 DEEERN CC[C@]1(C)CN([C@H]2CCN(c3sccc3C#N)C2=O)CCO1 ZINC000248898279 535918397 /nfs/dbraw/zinc/91/83/97/535918397.db2.gz GXKJVEAMPOXSMZ-XJKSGUPXSA-N 0 0 319.430 2.226 10 30 DEEERN CC[C@@](C)(O)CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000359248264 536009037 /nfs/dbraw/zinc/00/90/37/536009037.db2.gz BNUQJLVVTSVNBI-DOTOQJQBSA-N 0 0 304.390 2.239 10 30 DEEERN CCn1cc([C@@H]2CN(Cc3ccc(C#N)c(F)c3)CCO2)cn1 ZINC000190797271 536091136 /nfs/dbraw/zinc/09/11/36/536091136.db2.gz YBYZZBNCRFWQEF-KRWDZBQOSA-N 0 0 314.364 2.487 10 30 DEEERN CN(CCC(F)(F)F)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451110783 536318211 /nfs/dbraw/zinc/31/82/11/536318211.db2.gz ZBIYLFROUFNDBA-UHFFFAOYSA-N 0 0 324.299 2.411 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc(C#N)cc1C ZINC000248876442 536557471 /nfs/dbraw/zinc/55/74/71/536557471.db2.gz WBJFAYFUJGIHNW-BPUTZDHNSA-N 0 0 312.369 2.280 10 30 DEEERN COCCOc1ccc(F)cc1NC(=O)c1ccnc(C#N)c1 ZINC000193110608 536638772 /nfs/dbraw/zinc/63/87/72/536638772.db2.gz NVGBEZQQPKMWBW-UHFFFAOYSA-N 0 0 315.304 2.370 10 30 DEEERN CC(=NOCC(=O)Nc1cc(F)cc(F)c1)c1cnn(C)c1 ZINC000255625641 625537657 /nfs/dbraw/zinc/53/76/57/625537657.db2.gz MEFQNGLNOCQEGP-UHFFFAOYSA-N 0 0 308.288 2.078 10 30 DEEERN CNC(=O)C(C#N)=C(O)C=Cc1ccc2ccc(Cl)cc2n1 ZINC000254967241 622811304 /nfs/dbraw/zinc/81/13/04/622811304.db2.gz DFLUKQJRHSNKOT-FMFIFOJESA-N 0 0 313.744 2.356 10 30 DEEERN CC(=O)N1CSC[C@H]1C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000175779537 623132707 /nfs/dbraw/zinc/13/27/07/623132707.db2.gz LYANKYAQPBWEJM-YGRLFVJLSA-N 0 0 304.371 2.084 10 30 DEEERN C/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000255140697 623602421 /nfs/dbraw/zinc/60/24/21/623602421.db2.gz RQWYVBDNYDNVQJ-UVLVHESHSA-N 0 0 315.398 2.364 10 30 DEEERN CC#CCNC(=O)N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000135508783 624845469 /nfs/dbraw/zinc/84/54/69/624845469.db2.gz RVHJMJBQEKZCKM-STQMWFEESA-N 0 0 309.410 2.002 10 30 DEEERN COCCc1cc(NC(=O)/C=C/c2ccccc2C#N)n(C)n1 ZINC000178748287 625101680 /nfs/dbraw/zinc/10/16/80/625101680.db2.gz NEWPECDZCJJFCN-BQYQJAHWSA-N 0 0 310.357 2.133 10 30 DEEERN C#CCOc1cccc([C@H](C)OC(=O)COC[C@@H]2CCCO2)c1 ZINC000733698563 633270421 /nfs/dbraw/zinc/27/04/21/633270421.db2.gz YNQJEEXRGVRQRI-YOEHRIQHSA-N 0 0 318.369 2.498 10 30 DEEERN C=C(CN1C(=O)[C@@H](C)N(c2ccc(F)cc2)C1=O)C(=O)OCC ZINC000733871907 633292357 /nfs/dbraw/zinc/29/23/57/633292357.db2.gz YGEUCNHHCCNUKK-LLVKDONJSA-N 0 0 320.320 2.102 10 30 DEEERN CC(C)[C@@H]1C(=O)NCCN1Cc1cc(Cl)ccc1OCC#N ZINC000735309777 633501123 /nfs/dbraw/zinc/50/11/23/633501123.db2.gz UCBKMXCBKPMHLY-OAHLLOKOSA-N 0 0 321.808 2.199 10 30 DEEERN C=CC[C@H](NS(=O)(=O)Cc1cc(C)on1)c1ccncc1 ZINC000735317338 633501609 /nfs/dbraw/zinc/50/16/09/633501609.db2.gz DJEFQFJLCLEQEQ-AWEZNQCLSA-N 0 0 307.375 2.115 10 30 DEEERN C#CCOc1ccccc1[C@@H](C)OC(=O)COC[C@H]1CCCO1 ZINC000073532795 634141901 /nfs/dbraw/zinc/14/19/01/634141901.db2.gz OTVMWRMAHFYRHK-HUUCEWRRSA-N 0 0 318.369 2.498 10 30 DEEERN N#CC1(CCCOC(=O)Cc2ccc(F)cn2)CCOCC1 ZINC000800223110 634971510 /nfs/dbraw/zinc/97/15/10/634971510.db2.gz RFQIYTOUNCUNKB-UHFFFAOYSA-N 0 0 306.337 2.407 10 30 DEEERN C=CCC[C@@H](CO)Nc1nccn2nc(C(F)(F)F)cc12 ZINC000320153520 635793374 /nfs/dbraw/zinc/79/33/74/635793374.db2.gz NTSXIRYYMNNWNT-VIFPVBQESA-N 0 0 300.284 2.487 10 30 DEEERN O=C(N[C@H]1CCc2ccccc21)N1CCN(c2cccnn2)CC1 ZINC000328769104 635819122 /nfs/dbraw/zinc/81/91/22/635819122.db2.gz BZWNPGQIUPFMAR-INIZCTEOSA-N 0 0 323.400 2.200 10 30 DEEERN C=CCCO[C@H](C)C(=O)O[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000740237403 637828454 /nfs/dbraw/zinc/82/84/54/637828454.db2.gz HKVCPWXTZAHEJD-DOMZBBRYSA-N 0 0 317.341 2.297 10 30 DEEERN CC(C)CCN(CCC#N)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000103460293 637875095 /nfs/dbraw/zinc/87/50/95/637875095.db2.gz FFNVDYWIQNNUFE-GJZGRUSLSA-N 0 0 303.406 2.157 10 30 DEEERN C=C(COC(=O)c1cccc(C(=O)NCCC)c1)C(=O)OCC ZINC000741369733 637972681 /nfs/dbraw/zinc/97/26/81/637972681.db2.gz OIHXBTCJSWGSDI-UHFFFAOYSA-N 0 0 319.357 2.103 10 30 DEEERN C#Cc1ccc(C(=O)NC[C@H](C(=O)OCC)c2ccccc2)nc1 ZINC000742105327 638036404 /nfs/dbraw/zinc/03/64/04/638036404.db2.gz FNOJNGZNKMRIJL-INIZCTEOSA-N 0 0 322.364 2.140 10 30 DEEERN COC[C@@](C)(NC(=O)COc1cccc(C#N)c1)C(F)(F)F ZINC000742899677 638103279 /nfs/dbraw/zinc/10/32/79/638103279.db2.gz KIGLAEOXDPLFHF-CYBMUJFWSA-N 0 0 316.279 2.021 10 30 DEEERN N#Cc1cccc(COc2ccc(N[C@H]3CCNC3=O)cc2)c1 ZINC000179045531 638138097 /nfs/dbraw/zinc/13/80/97/638138097.db2.gz ZXXRROGPYDVUER-KRWDZBQOSA-N 0 0 307.353 2.438 10 30 DEEERN COC[C@](C)(NC(=O)c1ccccc1OCC#N)C(F)(F)F ZINC000744378990 638215224 /nfs/dbraw/zinc/21/52/24/638215224.db2.gz PHJFIZSZTKNMKB-ZDUSSCGKSA-N 0 0 316.279 2.286 10 30 DEEERN CC#CCOC(=O)CCn1cnc2sc(C)c(C)c2c1=O ZINC000744539305 638229264 /nfs/dbraw/zinc/22/92/64/638229264.db2.gz DRQWKQZHMVAJDH-UHFFFAOYSA-N 0 0 304.371 2.031 10 30 DEEERN C#Cc1cccc(NC(=S)NC[C@@H]2CCC[N@H+]2CCOC)c1 ZINC000727703802 638256620 /nfs/dbraw/zinc/25/66/20/638256620.db2.gz WFRQVDHQSKLKKO-INIZCTEOSA-N 0 0 317.458 2.065 10 30 DEEERN COc1ccc(CNC(=O)N2C[C@H](C)OC(C)(C)C2)cc1C#N ZINC000746769044 638376538 /nfs/dbraw/zinc/37/65/38/638376538.db2.gz XTOHSELFNFFUQB-LBPRGKRZSA-N 0 0 317.389 2.276 10 30 DEEERN COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])s2)cc1C#N ZINC000746856892 638381606 /nfs/dbraw/zinc/38/16/06/638381606.db2.gz BSIWZSZYWHUSIP-UHFFFAOYSA-N 0 0 317.326 2.467 10 30 DEEERN COc1ccc(CNC(=O)c2[nH]nc3ccccc32)cc1C#N ZINC000746868072 638382213 /nfs/dbraw/zinc/38/22/13/638382213.db2.gz LRFKJTDNVRDEFG-UHFFFAOYSA-N 0 0 306.325 2.373 10 30 DEEERN COC(=O)c1ccc(C(=O)NCc2ccc(OC)c(C#N)c2)cc1 ZINC000746867344 638382625 /nfs/dbraw/zinc/38/26/25/638382625.db2.gz DBMHQJKWDLMQTF-UHFFFAOYSA-N 0 0 324.336 2.283 10 30 DEEERN C#CC[C@H](OC(=O)c1ccc(OCC(=O)OC)cc1)C(C)C ZINC000747194233 638417743 /nfs/dbraw/zinc/41/77/43/638417743.db2.gz KCLIUQQBDNKJJH-HNNXBMFYSA-N 0 0 304.342 2.443 10 30 DEEERN CC[C@@H](C)[C@](C)(O)CNC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747430857 638436591 /nfs/dbraw/zinc/43/65/91/638436591.db2.gz FXSHABMBPIUCEE-SJKOYZFVSA-N 0 0 319.405 2.163 10 30 DEEERN C#CCOc1ccc(NS(=O)(=O)N(CCC)CCC)cc1 ZINC000747616705 638454289 /nfs/dbraw/zinc/45/42/89/638454289.db2.gz VAXMHSYUQBVERE-UHFFFAOYSA-N 0 0 310.419 2.477 10 30 DEEERN COc1ccc(CNC(=O)c2ccc3[nH]cnc3c2)cc1C#N ZINC000747614545 638454506 /nfs/dbraw/zinc/45/45/06/638454506.db2.gz RWSLWLCNWHSHBB-UHFFFAOYSA-N 0 0 306.325 2.373 10 30 DEEERN C=C(COC(=O)Cc1cccc([N+](=O)[O-])c1C)C(=O)OCC ZINC000748478385 638561524 /nfs/dbraw/zinc/56/15/24/638561524.db2.gz SHSZNDREXJJKHD-UHFFFAOYSA-N 0 0 307.302 2.108 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)N[C@H]2CCc3ccccc3C2)c1 ZINC000750379327 638738037 /nfs/dbraw/zinc/73/80/37/638738037.db2.gz WBXDZZBYIDHZTE-SFHVURJKSA-N 0 0 318.376 2.280 10 30 DEEERN CC(C)CN(C(=O)COC(=O)Cc1cccc(C#N)c1)C1CC1 ZINC000750430111 638743930 /nfs/dbraw/zinc/74/39/30/638743930.db2.gz IYLCNRARKOAEKP-UHFFFAOYSA-N 0 0 314.385 2.291 10 30 DEEERN CCOC(=O)[C@H](CC1CC1)NC(=O)/C=C\c1ccccc1C#N ZINC000752383339 639177251 /nfs/dbraw/zinc/17/72/51/639177251.db2.gz LTCAUVQUYDOZNG-YDZSZYSISA-N 0 0 312.369 2.419 10 30 DEEERN C=CCc1ccc(OS(=O)(=O)c2cncn2CC)c(OC)c1 ZINC000751240916 639224044 /nfs/dbraw/zinc/22/40/44/639224044.db2.gz PJILRTWRLNFINY-UHFFFAOYSA-N 0 0 322.386 2.408 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C ZINC000805146267 639839234 /nfs/dbraw/zinc/83/92/34/639839234.db2.gz AMVRLTRROJZJHQ-ZDUSSCGKSA-N 0 0 310.375 2.229 10 30 DEEERN C=CCc1ccc(OCC(=O)Nc2cn(C)nc2C)c(OC)c1 ZINC000172772787 639909987 /nfs/dbraw/zinc/90/99/87/639909987.db2.gz SRHRCOJMLVAJQO-UHFFFAOYSA-N 0 0 315.373 2.483 10 30 DEEERN C#Cc1ccc(C(=O)OCc2cn(-c3ccccc3)nn2)cn1 ZINC000729029403 639948947 /nfs/dbraw/zinc/94/89/47/639948947.db2.gz RAJSQYOUCKSEAU-UHFFFAOYSA-N 0 0 304.309 2.001 10 30 DEEERN C=C(C)[C@@H](NC(=O)NCc1cnn(C)n1)c1ccc(F)c(F)c1 ZINC000805302028 640755120 /nfs/dbraw/zinc/75/51/20/640755120.db2.gz BWBRKFQLFCRACK-CQSZACIVSA-N 0 0 321.331 2.210 10 30 DEEERN S=C(NN=Cc1cnn2ccccc12)NC1CCCCC1 ZINC000729632809 640819561 /nfs/dbraw/zinc/81/95/61/640819561.db2.gz IBANOLQMYDAECQ-UHFFFAOYSA-N 0 0 301.419 2.465 10 30 DEEERN C=CCOCC(=O)OCC(=O)Nc1c(CC)cccc1CC ZINC000729765955 640841163 /nfs/dbraw/zinc/84/11/63/640841163.db2.gz WHFRVZCGBGCMPM-UHFFFAOYSA-N 0 0 305.374 2.496 10 30 DEEERN C=CCOCC(=O)OCCNC(=O)c1cc2c(s1)CCCC2 ZINC000729892979 640851888 /nfs/dbraw/zinc/85/18/88/640851888.db2.gz SSEGFZJLMJHDOB-UHFFFAOYSA-N 0 0 323.414 2.103 10 30 DEEERN C=C(COC(=O)c1cc(-n2cccc2)ccn1)C(=O)OCC ZINC000805714548 642805883 /nfs/dbraw/zinc/80/58/83/642805883.db2.gz BLZPVRSNHUWBPI-UHFFFAOYSA-N 0 0 300.314 2.148 10 30 DEEERN Cc1cc([C@H]2CCCN(C(=O)c3cccc(C#CCO)c3)C2)[nH]n1 ZINC000908040716 644731917 /nfs/dbraw/zinc/73/19/17/644731917.db2.gz BXBAEMMLMOVABH-KRWDZBQOSA-N 0 0 323.396 2.082 10 30 DEEERN C#CCN(CC#CC)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000800739123 645301301 /nfs/dbraw/zinc/30/13/01/645301301.db2.gz LGXZRGTUDIESAO-INIZCTEOSA-N 0 0 300.789 2.475 10 30 DEEERN C=CCN(CC(F)(F)F)S(=O)(=O)c1cccc2c1OCO2 ZINC000800903716 645318931 /nfs/dbraw/zinc/31/89/31/645318931.db2.gz IOSHQNHLDGLQRM-UHFFFAOYSA-N 0 0 323.292 2.154 10 30 DEEERN COc1ccc(C(=O)C[C@H](C)C(=O)OCCO[C@H](C)C#N)cc1 ZINC000801862112 645453261 /nfs/dbraw/zinc/45/32/61/645453261.db2.gz OXJOQRQILMACFK-QWHCGFSZSA-N 0 0 319.357 2.376 10 30 DEEERN CC(C)[C@H](C#N)OC(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000802064561 645477101 /nfs/dbraw/zinc/47/71/01/645477101.db2.gz VMOKGSPLFCQACP-LBPRGKRZSA-N 0 0 305.334 2.137 10 30 DEEERN C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CCOC ZINC000802467490 645527643 /nfs/dbraw/zinc/52/76/43/645527643.db2.gz VPGVUXMUIFYZDX-UHFFFAOYSA-N 0 0 304.781 2.314 10 30 DEEERN C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H]2CC23CCCC3)c(F)c1 ZINC000802574104 645534794 /nfs/dbraw/zinc/53/47/94/645534794.db2.gz DRYPYWNWFCKNDQ-CYBMUJFWSA-N 0 0 318.323 2.334 10 30 DEEERN C[C@@H](C#N)OCCSCC(=O)Nc1ccc2c(c1)OCO2 ZINC000802750319 645551603 /nfs/dbraw/zinc/55/16/03/645551603.db2.gz CIDLNVSSOOJZJV-JTQLQIEISA-N 0 0 308.359 2.016 10 30 DEEERN COc1ccc(CNC(=O)c2occ3c2CCOC3)cc1C#N ZINC000802818754 645563417 /nfs/dbraw/zinc/56/34/17/645563417.db2.gz DPLSCKIFFAMDMB-UHFFFAOYSA-N 0 0 312.325 2.163 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000803698485 645681589 /nfs/dbraw/zinc/68/15/89/645681589.db2.gz SZWNBGSSYTWRLT-CABCVRRESA-N 0 0 311.381 2.458 10 30 DEEERN C#CCC(CC#C)C(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000803699247 645681695 /nfs/dbraw/zinc/68/16/95/645681695.db2.gz WVTIBYQUUMDFDC-UHFFFAOYSA-N 0 0 301.298 2.180 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1ccc(F)cc1C(=O)OC ZINC000803699952 645682718 /nfs/dbraw/zinc/68/27/18/645682718.db2.gz WPFLINSMWZGXRY-UHFFFAOYSA-N 0 0 302.301 2.318 10 30 DEEERN CN(CC1CC1)C(=O)COC(=O)c1cc(C#N)ccc1Cl ZINC000803832536 645702534 /nfs/dbraw/zinc/70/25/34/645702534.db2.gz DZMWITOVRMLMDH-UHFFFAOYSA-N 0 0 306.749 2.237 10 30 DEEERN C#Cc1cccc(N2C(=O)N[C@@H](CCOC(C)(C)C)C2=O)c1 ZINC000804201098 645739346 /nfs/dbraw/zinc/73/93/46/645739346.db2.gz JBWLYQLTRHYDMY-AWEZNQCLSA-N 0 0 300.358 2.298 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)C1=C(C)C(C)(C)OC1=O ZINC000804453041 645773042 /nfs/dbraw/zinc/77/30/42/645773042.db2.gz UBUGWVUTLUSBML-OAHLLOKOSA-N 0 0 311.381 2.389 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Cc1ccc(OC)cn1 ZINC000804452076 645773399 /nfs/dbraw/zinc/77/33/99/645773399.db2.gz CQPNWANLKGNWTG-QGZVFWFLSA-N 0 0 308.381 2.384 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000804454765 645773963 /nfs/dbraw/zinc/77/39/63/645773963.db2.gz AABLEHRVHRYPJI-YOEHRIQHSA-N 0 0 324.380 2.149 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1c(C)nn2cccnc12 ZINC000804455397 645773981 /nfs/dbraw/zinc/77/39/81/645773981.db2.gz HNWVMTDSXGIGLX-INIZCTEOSA-N 0 0 318.380 2.402 10 30 DEEERN C#CCC1(C(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)CCCCC1 ZINC000804544091 645788297 /nfs/dbraw/zinc/78/82/97/645788297.db2.gz GHGHDXBXHSIHPM-ZDUSSCGKSA-N 0 0 311.447 2.042 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccn(C)c1=O ZINC000806292635 645814717 /nfs/dbraw/zinc/81/47/17/645814717.db2.gz PTSXRXXNYMRSJV-HNNXBMFYSA-N 0 0 309.369 2.141 10 30 DEEERN C#C[C@H](CC)NC(=O)N[C@H](c1c(C)nn(C)c1C)C(F)(F)F ZINC000806387312 645825368 /nfs/dbraw/zinc/82/53/68/645825368.db2.gz ILCHWDRTXBYZIC-ZYHUDNBSSA-N 0 0 316.327 2.351 10 30 DEEERN C#CCC(CC#C)C(=O)N(CCOC)Cc1ccc(C#N)cc1 ZINC000806427346 645829750 /nfs/dbraw/zinc/82/97/50/645829750.db2.gz GITPHRNMEWIWBC-UHFFFAOYSA-N 0 0 308.381 2.196 10 30 DEEERN C=C(Br)CNC(=O)C(=O)NC1CCC(C)(C)CC1 ZINC000806631182 645856090 /nfs/dbraw/zinc/85/60/90/645856090.db2.gz LAVAEZDYLIFWMY-UHFFFAOYSA-N 0 0 317.227 2.096 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000806896918 645885037 /nfs/dbraw/zinc/88/50/37/645885037.db2.gz CHPIZCZDWAZTAB-UHFFFAOYSA-N 0 0 318.682 2.437 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000807410871 645947672 /nfs/dbraw/zinc/94/76/72/645947672.db2.gz YPZOGOYLHFSKJE-PKOBYXMFSA-N 0 0 313.372 2.071 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C[C@H](C)O)C(C)C ZINC000807468048 645954196 /nfs/dbraw/zinc/95/41/96/645954196.db2.gz NCGYPOHSEYIGMJ-DOTOQJQBSA-N 0 0 302.418 2.422 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](O)c1ccco1 ZINC000807467025 645954642 /nfs/dbraw/zinc/95/46/42/645954642.db2.gz JUCAOTILTRLDMU-CVEARBPZSA-N 0 0 312.369 2.247 10 30 DEEERN CCc1nnc([C@]23CCC[C@H]2CN(c2cccnc2C#N)C3)o1 ZINC000912368417 646045376 /nfs/dbraw/zinc/04/53/76/646045376.db2.gz PMXCZGVEIQSPKB-SJCJKPOMSA-N 0 0 309.373 2.457 10 30 DEEERN C=CCn1c(C)nn(CN2CC[C@]3(O)CCCC[C@@H]3C2)c1=S ZINC000164945368 646479087 /nfs/dbraw/zinc/47/90/87/646479087.db2.gz YSLKNTGAEUGMOR-GDBMZVCRSA-N 0 0 322.478 2.493 10 30 DEEERN C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1)C1CCOCC1 ZINC000165496307 646500306 /nfs/dbraw/zinc/50/03/06/646500306.db2.gz QWFXAXYPTIXEEU-IUODEOHRSA-N 0 0 300.358 2.397 10 30 DEEERN C#CCCOC(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C ZINC000170717804 646660350 /nfs/dbraw/zinc/66/03/50/646660350.db2.gz LBEPOTKXQZWGOQ-HNNXBMFYSA-N 0 0 303.358 2.016 10 30 DEEERN C#CCCCOC(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C ZINC000170713571 646660427 /nfs/dbraw/zinc/66/04/27/646660427.db2.gz BIUSLIHCTFZLJP-MRXNPFEDSA-N 0 0 317.385 2.406 10 30 DEEERN Cn1c(C(=O)NC2(C#N)CCOCC2)ccc1-c1ccccc1 ZINC000173775075 646779007 /nfs/dbraw/zinc/77/90/07/646779007.db2.gz XIRVNFSIMFNEFG-UHFFFAOYSA-N 0 0 309.369 2.495 10 30 DEEERN C#C[C@H](C)OC(=O)/C=C/c1ccc(I)o1 ZINC000174465072 646812055 /nfs/dbraw/zinc/81/20/55/646812055.db2.gz FIHFEVDCVLZJNX-IVGLGHLBSA-N 0 0 316.094 2.462 10 30 DEEERN N#CCCCCNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000730285403 646891261 /nfs/dbraw/zinc/89/12/61/646891261.db2.gz PFKSBCKNNSCCHD-UHFFFAOYSA-N 0 0 315.373 2.002 10 30 DEEERN C#C[C@@H](C)OC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000151592681 646978623 /nfs/dbraw/zinc/97/86/23/646978623.db2.gz FZHRFKBEZVVEMY-PSASIEDQSA-N 0 0 312.291 2.474 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[S@@](=O)CC ZINC000741423486 647454177 /nfs/dbraw/zinc/45/41/77/647454177.db2.gz VZLINVHKYLIAPQ-QFIPXVFZSA-N 0 0 319.430 2.024 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CCN1C1CC1 ZINC000732665209 647637582 /nfs/dbraw/zinc/63/75/82/647637582.db2.gz VTDZDGPUPHIWAL-AWEZNQCLSA-N 0 0 312.348 2.119 10 30 DEEERN N#C[C@@H]1CN(Cc2cnc(-c3ccccc3)nc2)CCN1C1CC1 ZINC000732668065 647639138 /nfs/dbraw/zinc/63/91/38/647639138.db2.gz GBFCANBIDKWBFZ-GOSISDBHSA-N 0 0 319.412 2.316 10 30 DEEERN CC(C)(C#N)COC(=O)CN1c2ccccc2SCC1=O ZINC000180136916 648466864 /nfs/dbraw/zinc/46/68/64/648466864.db2.gz GJZLTGFTBUFMHD-UHFFFAOYSA-N 0 0 304.371 2.218 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)c1ccc2c(c1O)CCCC2 ZINC000183507123 649093741 /nfs/dbraw/zinc/09/37/41/649093741.db2.gz KTCGYNYECBKOBH-UHFFFAOYSA-N 0 0 317.385 2.462 10 30 DEEERN C#C[C@@H](OC(=O)CCC(=O)N1CCc2sccc2C1)C1CC1 ZINC000183582671 649113817 /nfs/dbraw/zinc/11/38/17/649113817.db2.gz MYEQTRUDEAKOCF-CQSZACIVSA-N 0 0 317.410 2.368 10 30 DEEERN C#CCOc1cccc(COC(=O)c2ccc3nnn(C)c3c2)c1 ZINC000183595090 649116022 /nfs/dbraw/zinc/11/60/22/649116022.db2.gz VVJWOQUICJGDQD-UHFFFAOYSA-N 0 0 321.336 2.337 10 30 DEEERN N#CC1(COC(=O)CSCc2cscn2)CCOCC1 ZINC000183948809 649204924 /nfs/dbraw/zinc/20/49/24/649204924.db2.gz IZTFOOZVAOQZFO-UHFFFAOYSA-N 0 0 312.416 2.240 10 30 DEEERN C#CCOc1ccccc1OC(=O)c1cc(C(=O)OC)co1 ZINC000184761461 649368976 /nfs/dbraw/zinc/36/89/76/649368976.db2.gz YUEXBVKYZCQZIR-UHFFFAOYSA-N 0 0 300.266 2.297 10 30 DEEERN C#CCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000733247226 649463186 /nfs/dbraw/zinc/46/31/86/649463186.db2.gz DQTWZRUQWVFXKL-UHFFFAOYSA-N 0 0 301.327 2.471 10 30 DEEERN C#C[C@@H](C)NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000185327311 649500204 /nfs/dbraw/zinc/50/02/04/649500204.db2.gz ZNWSKOSHOGDLTA-CQSZACIVSA-N 0 0 306.365 2.221 10 30 DEEERN C#CCCNC(=O)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000733355807 649553486 /nfs/dbraw/zinc/55/34/86/649553486.db2.gz JASICDXCFWUZHN-GFCCVEGCSA-N 0 0 300.280 2.061 10 30 DEEERN C=CCOC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1 ZINC000113654509 651777260 /nfs/dbraw/zinc/77/72/60/651777260.db2.gz SEOGUAOBSXBJAF-INIZCTEOSA-N 0 0 310.353 2.152 10 30 DEEERN Cn1ccnc1[C@@H]1OCCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC000858008750 652236150 /nfs/dbraw/zinc/23/61/50/652236150.db2.gz XPVATBZMWZSLSU-DZGCQCFKSA-N 0 0 303.406 2.054 10 30 DEEERN CC#CCOC(=O)c1c(N)cccc1I ZINC000389706159 685435177 /nfs/dbraw/zinc/43/51/77/685435177.db2.gz KYKZHQSNHOTGPI-UHFFFAOYSA-N 0 0 315.110 2.054 10 30 DEEERN C#C[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1Br ZINC000390433096 685439977 /nfs/dbraw/zinc/43/99/77/685439977.db2.gz FXCPBZAUAFZBTE-SSDOTTSWSA-N 0 0 322.611 2.403 10 30 DEEERN C=C(C)CNC(=S)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000016705117 683854758 /nfs/dbraw/zinc/85/47/58/683854758.db2.gz MBWYAGWDEZPEHE-UHFFFAOYSA-N 0 0 317.458 2.331 10 30 DEEERN C=CCOc1ccc(C(=O)OC[C@H]2CC(=O)N(CC)C2)cc1 ZINC000123696552 684127916 /nfs/dbraw/zinc/12/79/16/684127916.db2.gz YTLULQCEFNOUBG-ZDUSSCGKSA-N 0 0 303.358 2.277 10 30 DEEERN Cn1nccc1CCC(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000124982617 684140562 /nfs/dbraw/zinc/14/05/62/684140562.db2.gz SOFNGEKEMHUMHZ-AWEZNQCLSA-N 0 0 315.348 2.417 10 30 DEEERN C#CCN1CCN(C(=O)CCC(=O)c2ccc(C)c(C)c2)CC1 ZINC000128251550 684169588 /nfs/dbraw/zinc/16/95/88/684169588.db2.gz GSMPDHCMYQOLFZ-UHFFFAOYSA-N 0 0 312.413 2.044 10 30 DEEERN COc1cccc(NC(=O)[C@@H](C#N)C(=O)CCCSC)c1 ZINC000130988748 684195511 /nfs/dbraw/zinc/19/55/11/684195511.db2.gz PUVXRAGVKLEVML-ZDUSSCGKSA-N 0 0 306.387 2.486 10 30 DEEERN C=C(Br)CN(C)Cc1nc(-c2cccnc2)no1 ZINC000133281847 684218035 /nfs/dbraw/zinc/21/80/35/684218035.db2.gz PYNDIUJGSMAGMV-UHFFFAOYSA-N 0 0 309.167 2.472 10 30 DEEERN C=CCCC(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000134637490 684228860 /nfs/dbraw/zinc/22/88/60/684228860.db2.gz OIORDFUZFQDRED-QGZVFWFLSA-N 0 0 300.358 2.379 10 30 DEEERN C#CCN(CC(=O)Nc1ccccc1C(=O)OC)C1CCCC1 ZINC000155855928 684281054 /nfs/dbraw/zinc/28/10/54/684281054.db2.gz NOBUEAFPUZKVEC-UHFFFAOYSA-N 0 0 314.385 2.290 10 30 DEEERN CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000248293013 685155941 /nfs/dbraw/zinc/15/59/41/685155941.db2.gz XGLJPOPYJORBHL-DFBGVHRSSA-N 0 0 300.358 2.464 10 30 DEEERN N#C[C@H](C(=O)NC1CC1)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000250485328 685189992 /nfs/dbraw/zinc/18/99/92/685189992.db2.gz KVSUBRZBZFQMMT-IHRRRGAJSA-N 0 0 302.761 2.431 10 30 DEEERN CC(=O)N1C[C@@H](Nc2ncccc2C#N)CC[C@@H]1C(F)(F)F ZINC000886039209 691990487 /nfs/dbraw/zinc/99/04/87/691990487.db2.gz WSWBGYPWFIHPIT-NWDGAFQWSA-N 0 0 312.295 2.307 10 30 DEEERN Cn1c(CNC(=O)/C=C\c2ccccc2C#N)nnc1C1CCC1 ZINC000588466553 777227025 /nfs/dbraw/zinc/22/70/25/777227025.db2.gz JFLVXZZSDZJVQZ-KTKRTIGZSA-N 0 0 321.384 2.284 10 30 DEEERN N#CCN1CCN(c2ccc(C#N)c(Br)c2F)CC1 ZINC000231842985 791022640 /nfs/dbraw/zinc/02/26/40/791022640.db2.gz UKXUUXRWJDSXFR-UHFFFAOYSA-N 0 0 323.169 2.105 10 30 DEEERN CO[C@H]1CC[C@@H]1N(C)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000724120912 787350620 /nfs/dbraw/zinc/35/06/20/787350620.db2.gz NCKRGYBYGLQRCM-RYUDHWBXSA-N 0 0 314.794 2.010 10 30 DEEERN C#CC[C@@H](COC)NC(=O)c1csc(Br)c1 ZINC000716889046 793019809 /nfs/dbraw/zinc/01/98/09/793019809.db2.gz RGZPQRHSRJEWKQ-VIFPVBQESA-N 0 0 302.193 2.279 10 30 DEEERN C=CCN(CC=C)C(=O)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000061414787 1078915738 /nfs/dbraw/zinc/91/57/38/1078915738.db2.gz GZHZBKVBERZWDC-UHFFFAOYSA-N 0 0 306.749 2.449 10 30 DEEERN C[C@@H]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1 ZINC000720472207 1085134614 /nfs/dbraw/zinc/13/46/14/1085134614.db2.gz BLWALDHHOMFJOT-SNVBAGLBSA-N 0 0 314.794 2.011 10 30 DEEERN C=CCn1c(-c2cccn2C)nnc1N1CCO[C@H](CCF)C1 ZINC000624817694 365559756 /nfs/dbraw/zinc/55/97/56/365559756.db2.gz NPXGDHLSCRBERY-CYBMUJFWSA-N 0 0 319.384 2.034 10 30 DEEERN C=CCn1c([C@H]2CCCS2)nnc1N1CC2(C1)CCCO2 ZINC000624827693 365563526 /nfs/dbraw/zinc/56/35/26/365563526.db2.gz HSKBUEBYZDBQMT-GFCCVEGCSA-N 0 0 306.435 2.401 10 30 DEEERN C=CCCCN(C)C(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC000624848110 365569365 /nfs/dbraw/zinc/56/93/65/365569365.db2.gz RJPFLDOOZRRJJP-UHFFFAOYSA-N 0 0 303.362 2.239 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC000624859686 365572700 /nfs/dbraw/zinc/57/27/00/365572700.db2.gz HAKRHYMMYPGGTB-GFCCVEGCSA-N 0 0 312.291 2.091 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](c1cccnc1)C(C)C ZINC000612067998 361738194 /nfs/dbraw/zinc/73/81/94/361738194.db2.gz KOIMCUAFMXMZNO-IRXDYDNUSA-N 0 0 317.433 2.408 10 30 DEEERN Cc1nc(N)sc1C(=O)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000096601409 185384329 /nfs/dbraw/zinc/38/43/29/185384329.db2.gz XQVAPBBEQNSJPA-UHFFFAOYSA-N 0 0 303.303 2.066 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1Cc2ccccc2N(C)C(=O)C1 ZINC000624967287 365601914 /nfs/dbraw/zinc/60/19/14/365601914.db2.gz YCLKJLOALIYJHC-UHFFFAOYSA-N 0 0 311.389 2.146 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)CC1(C)COC1 ZINC000624976205 365604146 /nfs/dbraw/zinc/60/41/46/365604146.db2.gz ZXOBZSYXVKVGKJ-CYBMUJFWSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCN(C)c1nnc([C@H]2CC[C@@H](C)O2)n1C[C@@H]1CCCO1 ZINC000625087589 365638888 /nfs/dbraw/zinc/63/88/88/365638888.db2.gz DTGANVXEGXEWTA-HZSPNIEDSA-N 0 0 306.410 2.319 10 30 DEEERN C[C@H](OCCS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F ZINC000163153382 197614276 /nfs/dbraw/zinc/61/42/76/197614276.db2.gz SRDLLIKLSGIALK-VIFPVBQESA-N 0 0 307.293 2.299 10 30 DEEERN C=CC[C@@H](CO)CNS(=O)(=O)CC(C)(C)C(F)(F)CC ZINC000625110799 365645551 /nfs/dbraw/zinc/64/55/51/365645551.db2.gz FGIOBXHZGQDDKA-LLVKDONJSA-N 0 0 313.410 2.162 10 30 DEEERN CCc1nn(Cc2ccc(OC)c(C#N)c2)c(=O)c(C#N)c1CC ZINC000163015784 197607252 /nfs/dbraw/zinc/60/72/52/197607252.db2.gz UJPDWBUHMJCFQE-UHFFFAOYSA-N 0 0 322.368 2.168 10 30 DEEERN C=CCCCNS(=O)(=O)C[C@@H](OC)c1ccc(F)cc1 ZINC000625168189 365669158 /nfs/dbraw/zinc/66/91/58/365669158.db2.gz JMGKSQXTNTYMBB-CQSZACIVSA-N 0 0 301.383 2.399 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)CC(=O)c1cccs1 ZINC000612828839 361925705 /nfs/dbraw/zinc/92/57/05/361925705.db2.gz VHQISCRBMVIUFV-DGCLKSJQSA-N 0 0 322.430 2.297 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC1CCC(OC(C)C)CC1 ZINC000612849731 361930895 /nfs/dbraw/zinc/93/08/95/361930895.db2.gz YTQPTCPDYROLLG-GPANFISMSA-N 0 0 310.438 2.310 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000278710179 214344277 /nfs/dbraw/zinc/34/42/77/214344277.db2.gz RZYOQRNEVLJWNT-UHFFFAOYSA-N 0 0 305.381 2.210 10 30 DEEERN C[C@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)CCS1 ZINC000083170773 185215886 /nfs/dbraw/zinc/21/58/86/185215886.db2.gz IZJOSHVLKYONAR-CMPLNLGQSA-N 0 0 307.444 2.162 10 30 DEEERN C=CCC(C)(C)CNS(=O)(=O)CC1(OCC)CCOCC1 ZINC000625232961 365691348 /nfs/dbraw/zinc/69/13/48/365691348.db2.gz SBWHSNZJHWYFBW-UHFFFAOYSA-N 0 0 319.467 2.094 10 30 DEEERN Cc1ccc(C#CCCO)cc1C(=O)N1CCSC[C@@H]1C ZINC000087746394 185231278 /nfs/dbraw/zinc/23/12/78/185231278.db2.gz IRFUNUGUFRNDSU-AWEZNQCLSA-N 0 0 303.427 2.306 10 30 DEEERN O=S(=O)(Nc1ccc(C#CCO)c(F)c1)C1CCCCC1 ZINC000088083140 185238866 /nfs/dbraw/zinc/23/88/66/185238866.db2.gz HSPYPJCROLEJNV-UHFFFAOYSA-N 0 0 311.378 2.244 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cn1 ZINC000165692184 197680271 /nfs/dbraw/zinc/68/02/71/197680271.db2.gz KHMDGFUVVDFZCR-QWHCGFSZSA-N 0 0 305.403 2.154 10 30 DEEERN CN(CCC(F)(F)F)C(=O)c1cc(C#CCO)ccc1F ZINC000088436741 185250306 /nfs/dbraw/zinc/25/03/06/185250306.db2.gz GYCVPLIXUFWRRI-UHFFFAOYSA-N 0 0 303.255 2.194 10 30 DEEERN Cc1c(C#CCCO)cccc1C(=O)N(C)[C@H]1CCSC1 ZINC000088443018 185251024 /nfs/dbraw/zinc/25/10/24/185251024.db2.gz INGWEGFZSVFBEF-HNNXBMFYSA-N 0 0 303.427 2.306 10 30 DEEERN N#Cc1ccc(Cl)cc1NCc1ccc(S(N)(=O)=O)o1 ZINC000088539011 185255548 /nfs/dbraw/zinc/25/55/48/185255548.db2.gz VVXQPVISFBOYMX-UHFFFAOYSA-N 0 0 311.750 2.064 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCO[C@H](CC(C)C)C1 ZINC000613291144 362071452 /nfs/dbraw/zinc/07/14/52/362071452.db2.gz KISOUTGKNYWQQX-OAGGEKHMSA-N 0 0 310.438 2.167 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1cnnn1-c1ccccc1 ZINC000625271178 365707470 /nfs/dbraw/zinc/70/74/70/365707470.db2.gz KSIHOVZTNAPFTK-UHFFFAOYSA-N 0 0 320.418 2.292 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)c1ccc(Cl)cn1 ZINC000613766756 362203208 /nfs/dbraw/zinc/20/32/08/362203208.db2.gz QURJKQBDNRKOII-IINYFYTJSA-N 0 0 309.797 2.383 10 30 DEEERN N#CCNC(=O)CN1CCCCc2cc(Br)ccc21 ZINC000092844080 185345914 /nfs/dbraw/zinc/34/59/14/185345914.db2.gz AJJLLEGLLQWVLW-UHFFFAOYSA-N 0 0 322.206 2.232 10 30 DEEERN CC1(C)C(CNS(=O)(=O)c2ccc(C#N)cc2N)C1(C)C ZINC000092804743 185342284 /nfs/dbraw/zinc/34/22/84/185342284.db2.gz LPHIUPXNIWNJNC-UHFFFAOYSA-N 0 0 307.419 2.101 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(CC)Cc1ccncc1 ZINC000625353102 365743798 /nfs/dbraw/zinc/74/37/98/365743798.db2.gz GFWDNXHFRWUHJR-UHFFFAOYSA-N 0 0 303.406 2.149 10 30 DEEERN COC(=O)[C@H]1CCN(c2ccc(C#N)cc2Br)C1 ZINC000168554111 197725255 /nfs/dbraw/zinc/72/52/55/197725255.db2.gz LMWCBRBCXWYTNT-JTQLQIEISA-N 0 0 309.163 2.320 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@H]1c1ccccn1 ZINC000625400537 365764636 /nfs/dbraw/zinc/76/46/36/365764636.db2.gz NSIXKMFPBDYVAB-HNNXBMFYSA-N 0 0 315.417 2.464 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000625414211 365772782 /nfs/dbraw/zinc/77/27/82/365772782.db2.gz KKBKRCMZOXYKLH-AWEZNQCLSA-N 0 0 303.406 2.397 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@H](C)c1cccnc1 ZINC000625446218 365788898 /nfs/dbraw/zinc/78/88/98/365788898.db2.gz OCITUCRQDYXTGG-CYBMUJFWSA-N 0 0 303.406 2.320 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCc1ccccc1F ZINC000614288881 362339537 /nfs/dbraw/zinc/33/95/37/362339537.db2.gz UYBPDCJBKRRMLW-MRXNPFEDSA-N 0 0 306.381 2.345 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c(C2CCC2)cnn1C ZINC000614373224 362365875 /nfs/dbraw/zinc/36/58/75/362365875.db2.gz QBEQUIBKLNIROU-XJKSGUPXSA-N 0 0 303.406 2.399 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)Cc1cnc(C(C)C)nc1 ZINC000614449467 362383157 /nfs/dbraw/zinc/38/31/57/362383157.db2.gz NJQJZAJDEXULBQ-HNNXBMFYSA-N 0 0 318.421 2.029 10 30 DEEERN C=CCOc1ccc(CNC(=O)[C@@H](CC(=C)C)NC(C)=O)cc1 ZINC000614676820 362434458 /nfs/dbraw/zinc/43/44/58/362434458.db2.gz AFUOVEURTSCEFV-QGZVFWFLSA-N 0 0 316.401 2.339 10 30 DEEERN CCC1(CC)CN(c2cc(C)nc(C)c2C#N)CCS1(=O)=O ZINC000302482477 282379055 /nfs/dbraw/zinc/37/90/55/282379055.db2.gz WRYZBTGWJBNNDT-UHFFFAOYSA-N 0 0 321.446 2.364 10 30 DEEERN Cc1csc(C2CCN(C(=O)C3(C#N)CCOCC3)CC2)n1 ZINC000109143190 185554470 /nfs/dbraw/zinc/55/44/70/185554470.db2.gz WYJOEZBFYREVBE-UHFFFAOYSA-N 0 0 319.430 2.478 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000615466317 362614780 /nfs/dbraw/zinc/61/47/80/362614780.db2.gz ZVNQKOQKTDOSKG-INIZCTEOSA-N 0 0 322.449 2.001 10 30 DEEERN CCOc1ccc(C(=O)N2CC[C@](F)(C#N)C2)cc1[N+](=O)[O-] ZINC000615592985 362648823 /nfs/dbraw/zinc/64/88/23/362648823.db2.gz IDZVLEXJHMOQMW-AWEZNQCLSA-N 0 0 307.281 2.071 10 30 DEEERN N#Cc1ccc(CNC(=O)c2cccc(-n3cncn3)c2)cc1 ZINC000115329348 185676905 /nfs/dbraw/zinc/67/69/05/185676905.db2.gz KGPSIHQFLRKTBJ-UHFFFAOYSA-N 0 0 303.325 2.069 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)Cc1ccc(C)cn1 ZINC000625527016 365814436 /nfs/dbraw/zinc/81/44/36/365814436.db2.gz QGRKOIZBMLVSTD-UHFFFAOYSA-N 0 0 303.406 2.067 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)Cc1ncc(CC)s1 ZINC000625557621 365828259 /nfs/dbraw/zinc/82/82/59/365828259.db2.gz PEUGAPDGFUMCSY-UHFFFAOYSA-N 0 0 323.462 2.382 10 30 DEEERN CCN[C@@](C#N)(CSc1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000069094644 190798526 /nfs/dbraw/zinc/79/85/26/190798526.db2.gz SZHAJWKDINSFST-HNNXBMFYSA-N 0 0 324.471 2.464 10 30 DEEERN C=CCCOCC(=O)N[C@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000616167449 362787245 /nfs/dbraw/zinc/78/72/45/362787245.db2.gz JBVVGFUELFFJEW-QGZVFWFLSA-N 0 0 323.364 2.313 10 30 DEEERN C=CC[C@@H]1CCN(Cc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000625703152 365877536 /nfs/dbraw/zinc/87/75/36/365877536.db2.gz QWQZEHMKFWVAFZ-GFCCVEGCSA-N 0 0 314.476 2.396 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)CCCc1cccnc1 ZINC000616210349 362796976 /nfs/dbraw/zinc/79/69/76/362796976.db2.gz PCTLIGOLGNSWOF-YOEHRIQHSA-N 0 0 317.433 2.380 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)c1cnc2n1CCOC2 ZINC000616303261 362821255 /nfs/dbraw/zinc/82/12/55/362821255.db2.gz VCZCTCOWBZWOKP-OAHLLOKOSA-N 0 0 311.385 2.331 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000616346297 362833141 /nfs/dbraw/zinc/83/31/41/362833141.db2.gz DOJXTRNYCIOAFS-XHDPSFHLSA-N 0 0 314.389 2.211 10 30 DEEERN Cn1nccc1N1CCC[C@@H](Nc2ccc(C#N)cc2F)C1=O ZINC000616392683 362844917 /nfs/dbraw/zinc/84/49/17/362844917.db2.gz LDXVBHIBBINEOW-CQSZACIVSA-N 0 0 313.336 2.038 10 30 DEEERN Cc1ccc(NC(=O)Cn2ccnc2C#N)c(Br)c1 ZINC000123961364 185861699 /nfs/dbraw/zinc/86/16/99/185861699.db2.gz ZDRNSYNJYJTCEC-UHFFFAOYSA-N 0 0 319.162 2.464 10 30 DEEERN C[C@@H]1CSCCN1C(=O)c1ccc(F)cc1C#CCCO ZINC000070224073 190873621 /nfs/dbraw/zinc/87/36/21/190873621.db2.gz XAKQTHBCIGELRM-GFCCVEGCSA-N 0 0 307.390 2.137 10 30 DEEERN N#Cc1ccccc1[C@H]1CCc2ccccc2N1S(N)(=O)=O ZINC000616593588 362895422 /nfs/dbraw/zinc/89/54/22/362895422.db2.gz JSFALNLZBMSSLV-MRXNPFEDSA-N 0 0 313.382 2.256 10 30 DEEERN CS(=O)(=O)N1CCc2ccccc2[C@H]1c1ccccc1C#N ZINC000616679120 362908415 /nfs/dbraw/zinc/90/84/15/362908415.db2.gz CSINSEGHFQHISH-KRWDZBQOSA-N 0 0 312.394 2.465 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000180324494 539645203 /nfs/dbraw/zinc/64/52/03/539645203.db2.gz NZPCNJHSUDZJKH-QMMMGPOBSA-N 0 0 301.799 2.064 10 30 DEEERN Cc1ccc(C(=O)N2CCSC[C@@H]2C)cc1C#CCCO ZINC000130159663 185941884 /nfs/dbraw/zinc/94/18/84/185941884.db2.gz UAKHNVJFKHCCQD-AWEZNQCLSA-N 0 0 303.427 2.306 10 30 DEEERN Cc1ccc(C(=O)N2C[C@H](C)S[C@@H](C)C2)cc1C#CCO ZINC000130161695 185942308 /nfs/dbraw/zinc/94/23/08/185942308.db2.gz ZGNBNRUTQIHMKK-KBPBESRZSA-N 0 0 303.427 2.305 10 30 DEEERN Cn1cc(Cl)cc1C(=O)NCc1ccc(C#CCO)s1 ZINC000071322147 190958381 /nfs/dbraw/zinc/95/83/81/190958381.db2.gz FOYIEMSELOYLOO-UHFFFAOYSA-N 0 0 308.790 2.014 10 30 DEEERN O=C(NCc1ccc(C#CCCO)s1)c1cc(Cl)c[nH]1 ZINC000071322791 190958395 /nfs/dbraw/zinc/95/83/95/190958395.db2.gz BOVREYILOAEUQX-UHFFFAOYSA-N 0 0 308.790 2.394 10 30 DEEERN N#CCCCCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000083767731 192382944 /nfs/dbraw/zinc/38/29/44/192382944.db2.gz JVJPRACPJUFJDM-UHFFFAOYSA-N 0 0 317.754 2.220 10 30 DEEERN COc1cccc2c1C(=O)N(CCCCn1ccnc1)[C@@H]2C#N ZINC000071678714 191005272 /nfs/dbraw/zinc/00/52/72/191005272.db2.gz SLRNTHUPGHTKGD-CQSZACIVSA-N 0 0 310.357 2.393 10 30 DEEERN C[C@@H]1SCCN(C(=O)c2cccc(C#CCCO)c2)[C@H]1C ZINC000133633532 186001706 /nfs/dbraw/zinc/00/17/06/186001706.db2.gz QVTVFKTWCDNIFF-KBPBESRZSA-N 0 0 303.427 2.387 10 30 DEEERN C[C@@H]1CC[C@H](C)CN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000147442359 186040350 /nfs/dbraw/zinc/04/03/50/186040350.db2.gz ONVRSUOIHOGPNH-UONOGXRCSA-N 0 0 306.431 2.452 10 30 DEEERN CCC[C@H](C#N)N1CCN(Cc2cn3ccsc3n2)CC1 ZINC000148716160 186045413 /nfs/dbraw/zinc/04/54/13/186045413.db2.gz IQZNPOWYYCMYLM-CQSZACIVSA-N 0 0 303.435 2.206 10 30 DEEERN Nn1c(SCC#Cc2ccccc2)nnc1C1CCOCC1 ZINC000188037108 186247127 /nfs/dbraw/zinc/24/71/27/186247127.db2.gz WGCIFXSHTKIULV-UHFFFAOYSA-N 0 0 314.414 2.030 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)NCc1ccco1 ZINC000617037430 363006796 /nfs/dbraw/zinc/00/67/96/363006796.db2.gz NCAXIYSZTYPBQZ-ZFWWWQNUSA-N 0 0 319.405 2.330 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CCCN1C(=O)CCC1=O ZINC000617037235 363006817 /nfs/dbraw/zinc/00/68/17/363006817.db2.gz JWHGWOUDWCELQX-KBPBESRZSA-N 0 0 306.406 2.167 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)NC)nc1 ZINC000617040684 363006952 /nfs/dbraw/zinc/00/69/52/363006952.db2.gz XNWPXHGIUFRZEZ-OCCSQVGLSA-N 0 0 301.390 2.306 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(C2CC2)C1=O ZINC000617044783 363008029 /nfs/dbraw/zinc/00/80/29/363008029.db2.gz RWYJGKIPYMNYEN-HIFRSBDPSA-N 0 0 305.422 2.138 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CCc1nc(N(C)C)no1 ZINC000617041579 363008150 /nfs/dbraw/zinc/00/81/50/363008150.db2.gz GDQNLSMMWGPIAA-CHWSQXEVSA-N 0 0 306.410 2.319 10 30 DEEERN C=CCSCCNC(=O)NCC1(CC(N)=O)CCCCC1 ZINC000595491205 358463464 /nfs/dbraw/zinc/46/34/64/358463464.db2.gz IBGINCCNVHKJFL-UHFFFAOYSA-N 0 0 313.467 2.031 10 30 DEEERN C=CC[C@H](C(=O)N1CC[C@H](Cn2ccnn2)C1)c1ccccc1 ZINC000617257415 363067084 /nfs/dbraw/zinc/06/70/84/363067084.db2.gz QYFSLDXHTOARND-RDJZCZTQSA-N 0 0 310.401 2.487 10 30 DEEERN N#CCCCS(=O)(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000171980709 198020457 /nfs/dbraw/zinc/02/04/57/198020457.db2.gz GSNSPGGWHUMXTA-OAHLLOKOSA-N 0 0 310.394 2.466 10 30 DEEERN N#C[C@H](NC(=O)CN1CCCCC1=O)c1ccccc1Cl ZINC000172027116 198029009 /nfs/dbraw/zinc/02/90/09/198029009.db2.gz KOQBPQZOIZOMKX-ZDUSSCGKSA-N 0 0 305.765 2.033 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CCn1c(C)c(C)sc1=O ZINC000172065175 198034013 /nfs/dbraw/zinc/03/40/13/198034013.db2.gz DHPBLZZBFNBQOD-UHFFFAOYSA-N 0 0 322.352 2.494 10 30 DEEERN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C1CCCC1 ZINC000172095059 198038379 /nfs/dbraw/zinc/03/83/79/198038379.db2.gz GJZDYMCSABEWQX-GFCCVEGCSA-N 0 0 315.417 2.491 10 30 DEEERN C=CCCC1(CNC(=O)c2cn(CCOC)nn2)CCCC1 ZINC000617417901 363129021 /nfs/dbraw/zinc/12/90/21/363129021.db2.gz LFDKZYNZKIAOHS-UHFFFAOYSA-N 0 0 306.410 2.181 10 30 DEEERN C#CCNC(=O)c1ccc(N[C@H](C)COCc2ccccc2)nc1 ZINC000172780537 198149379 /nfs/dbraw/zinc/14/93/79/198149379.db2.gz LAMKYERVRZZDGZ-OAHLLOKOSA-N 0 0 323.396 2.462 10 30 DEEERN N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)nc1 ZINC000172971520 198171928 /nfs/dbraw/zinc/17/19/28/198171928.db2.gz KVLLODCGWZFSJU-UONOGXRCSA-N 0 0 321.336 2.467 10 30 DEEERN C[C@H](NC(=O)C1CCCC1)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000329268877 539917281 /nfs/dbraw/zinc/91/72/81/539917281.db2.gz GTBGWPNUZZIOJQ-WFASDCNBSA-N 0 0 307.438 2.074 10 30 DEEERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC000329387183 539919197 /nfs/dbraw/zinc/91/91/97/539919197.db2.gz STEWWAMJCCLXIF-NSHDSACASA-N 0 0 303.318 2.086 10 30 DEEERN CN1CCOc2ccc(NC(=O)N3CC4(C3)CCCOC4)cc21 ZINC000329585194 539923736 /nfs/dbraw/zinc/92/37/36/539923736.db2.gz WJRCKULVSZYSEQ-UHFFFAOYSA-N 0 0 317.389 2.173 10 30 DEEERN C[C@H](CNC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)N1CCOCC1 ZINC000329803907 539930331 /nfs/dbraw/zinc/93/03/31/539930331.db2.gz JYYFIEGCQMDXNW-QKPAOTATSA-N 0 0 309.454 2.180 10 30 DEEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)c2nncn2C)cs1 ZINC000330192799 539935147 /nfs/dbraw/zinc/93/51/47/539935147.db2.gz NWXPUZDEEGYJFP-SKDRFNHKSA-N 0 0 320.422 2.392 10 30 DEEERN C#CCSCCNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000173881137 198264291 /nfs/dbraw/zinc/26/42/91/198264291.db2.gz JZPHOOKZJIUUJD-KBPBESRZSA-N 0 0 317.410 2.044 10 30 DEEERN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cccc(C#N)c2)C1 ZINC000174887405 198398064 /nfs/dbraw/zinc/39/80/64/198398064.db2.gz GNZUFVHEZUWLMR-AWEZNQCLSA-N 0 0 300.358 2.362 10 30 DEEERN N#Cc1cc(NC(=O)N2CCC[C@@H](n3cncn3)C2)ccc1F ZINC000176091813 198544684 /nfs/dbraw/zinc/54/46/84/198544684.db2.gz LSTGXCPWRQWTKR-CYBMUJFWSA-N 0 0 314.324 2.158 10 30 DEEERN Cc1ccc(OCCN(C)CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000029152151 354107480 /nfs/dbraw/zinc/10/74/80/354107480.db2.gz JOULIDCDAMAUAH-GOSISDBHSA-N 0 0 317.433 2.360 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC000626391958 366171351 /nfs/dbraw/zinc/17/13/51/366171351.db2.gz RYVTTXRAMQZWOK-QGZVFWFLSA-N 0 0 324.380 2.364 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000626392258 366171933 /nfs/dbraw/zinc/17/19/33/366171933.db2.gz GDKWJTXYTMMMTA-LBPRGKRZSA-N 0 0 323.418 2.025 10 30 DEEERN C=C(C)CN(CC)C(=O)COc1cc(Cl)ccc1C(N)=O ZINC000060169807 354609047 /nfs/dbraw/zinc/60/90/47/354609047.db2.gz RBKNZMSATXIALJ-UHFFFAOYSA-N 0 0 310.781 2.242 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)COc1c(F)cccc1F ZINC000618171115 363403492 /nfs/dbraw/zinc/40/34/92/363403492.db2.gz OZZVQRAJHJUMMJ-WDMOLILDSA-N 0 0 311.328 2.439 10 30 DEEERN C=CCOc1ccc(C(=O)N2C[C@@H](C)C(O)[C@H](C)C2)cc1OC ZINC000618261165 363433886 /nfs/dbraw/zinc/43/38/86/363433886.db2.gz CQBXLTCTTRGNOO-CHWSQXEVSA-N 0 0 319.401 2.349 10 30 DEEERN C=CCc1cc(C=C2NC(=S)N(C)C2=O)cc(OC)c1O ZINC000004918310 181172856 /nfs/dbraw/zinc/17/28/56/181172856.db2.gz BBWPFTZZQWOYDI-XFFZJAGNSA-N 0 0 304.371 2.228 10 30 DEEERN C=CCOCCNC(=O)c1cc(Br)ccc1O ZINC000379711599 540122346 /nfs/dbraw/zinc/12/23/46/540122346.db2.gz CHKIOZCXWRESOC-UHFFFAOYSA-N 0 0 300.152 2.087 10 30 DEEERN CCc1cc2c([nH]c(=O)n(Cc3cccc(C#N)c3)c2=O)s1 ZINC000075319981 191463469 /nfs/dbraw/zinc/46/34/69/191463469.db2.gz JOXVJLXBDFLJNV-UHFFFAOYSA-N 0 0 311.366 2.234 10 30 DEEERN N#Cc1cc(F)c(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c(F)c1 ZINC000178684713 283095958 /nfs/dbraw/zinc/09/59/58/283095958.db2.gz JXVAXIMLBAITEP-HOCLYGCPSA-N 0 0 314.291 2.225 10 30 DEEERN N#Cc1cc(S(=O)(=O)NCc2nccs2)ccc1Cl ZINC000075788580 191519296 /nfs/dbraw/zinc/51/92/96/191519296.db2.gz WYJKNRBZDYEWEL-UHFFFAOYSA-N 0 0 313.791 2.147 10 30 DEEERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(CC#N)C1CCCC1 ZINC000128258306 355827102 /nfs/dbraw/zinc/82/71/02/355827102.db2.gz QDUGYQGPCMOODK-CYBMUJFWSA-N 0 0 314.389 2.491 10 30 DEEERN CCO[C@H](CC)COS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000146075472 355907833 /nfs/dbraw/zinc/90/78/33/355907833.db2.gz SIVNJLIINKHTKB-LLVKDONJSA-N 0 0 303.336 2.115 10 30 DEEERN Cc1cc(NC(=O)Cn2ccnc2C#N)n(-c2ccc(C)cc2)n1 ZINC000179159980 356015791 /nfs/dbraw/zinc/01/57/91/356015791.db2.gz DCOCQWQTJFQWGK-UHFFFAOYSA-N 0 0 320.356 2.196 10 30 DEEERN CC(C)(C)CS(=O)(=O)[N-]c1sc2c(c1C#N)CC[NH2+]C2 ZINC000080191554 192011010 /nfs/dbraw/zinc/01/10/10/192011010.db2.gz LTTPGSFVFGZRJC-UHFFFAOYSA-N 0 0 313.448 2.053 10 30 DEEERN CC(C)N(CC#N)S(=O)(=O)c1ccccc1Br ZINC000080214442 192012672 /nfs/dbraw/zinc/01/26/72/192012672.db2.gz NFWLQWCTRSMOBY-UHFFFAOYSA-N 0 0 317.208 2.372 10 30 DEEERN C=CCOc1cccc(NC(=O)NCCCn2ccnn2)c1 ZINC000183518926 356174878 /nfs/dbraw/zinc/17/48/78/356174878.db2.gz IDIADQIUHCAFGY-UHFFFAOYSA-N 0 0 301.350 2.055 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000187768075 356214159 /nfs/dbraw/zinc/21/41/59/356214159.db2.gz OESHMCJDSQRAMN-KRWDZBQOSA-N 0 0 305.374 2.318 10 30 DEEERN COCCOc1ccc(C#N)cc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000184434380 356191004 /nfs/dbraw/zinc/19/10/04/356191004.db2.gz FLTBZAPBPGMIGV-IAQYHMDHSA-N 0 0 304.346 2.089 10 30 DEEERN C#C[C@H](NN)c1cc(Br)cc(Br)c1 ZINC000236203845 356289384 /nfs/dbraw/zinc/28/93/84/356289384.db2.gz ICAWOAQNXKPFEZ-VIFPVBQESA-N 0 0 303.985 2.349 10 30 DEEERN N#Cc1cncc(OC(F)(F)F)c1I ZINC000238543067 356304301 /nfs/dbraw/zinc/30/43/01/356304301.db2.gz SBDCBFHZXHJVHR-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN CC[C@H](CC#N)Nc1ncc(I)cn1 ZINC000306213223 356403854 /nfs/dbraw/zinc/40/38/54/356403854.db2.gz LMFXFNOZGTXWLK-MRVPVSSYSA-N 0 0 302.119 2.185 10 30 DEEERN O=CC[C@@H](O)c1c(Br)cncc1Br ZINC000306618729 356404837 /nfs/dbraw/zinc/40/48/37/356404837.db2.gz TYDGTZAGUINURX-SSDOTTSWSA-N 0 0 308.957 2.229 10 30 DEEERN CCOc1ccc(N2CC[C@@H](n3ccc(NC(C)=O)n3)C2)nn1 ZINC000328614739 356460632 /nfs/dbraw/zinc/46/06/32/356460632.db2.gz WUTZZOKPQWSKLY-GFCCVEGCSA-N 0 0 316.365 2.131 10 30 DEEERN C[C@H](NS(=O)(=O)c1ccc(CC#N)cc1)c1nccs1 ZINC000081300358 192247742 /nfs/dbraw/zinc/24/77/42/192247742.db2.gz SGMUNUAFGAVVEL-JTQLQIEISA-N 0 0 307.400 2.249 10 30 DEEERN Cc1nc2c(s1)CCC[C@@H]2CNC(=O)NCc1cnn(C)c1 ZINC000328630405 356463822 /nfs/dbraw/zinc/46/38/22/356463822.db2.gz PUGFQFGNIFPVMM-GFCCVEGCSA-N 0 0 319.434 2.309 10 30 DEEERN Cn1cc([C@H]2OCC[C@@H]2NC(=O)CCCn2cccc2)cn1 ZINC000328643779 356465913 /nfs/dbraw/zinc/46/59/13/356465913.db2.gz YXFVZMJMBAKTON-GOEBONIOSA-N 0 0 302.378 2.489 10 30 DEEERN C=CCOCCCNC(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000618515301 363512906 /nfs/dbraw/zinc/51/29/06/363512906.db2.gz UQHDKPLGMBKHIR-HNNXBMFYSA-N 0 0 316.401 2.287 10 30 DEEERN C=CCOCCCNC(=O)c1nnn(-c2cccc(C)c2)c1C ZINC000618521126 363514619 /nfs/dbraw/zinc/51/46/19/363514619.db2.gz PANNFMIOVGEQQK-UHFFFAOYSA-N 0 0 314.389 2.207 10 30 DEEERN C#CCC1(C(=O)N2CCC[C@@H](c3nnc[nH]3)C2)CCCCC1 ZINC000365025233 356666067 /nfs/dbraw/zinc/66/60/67/356666067.db2.gz GDYGMMIVONFQDY-CQSZACIVSA-N 0 0 300.406 2.485 10 30 DEEERN C=C(C)COCCNC(=O)Nc1cn(C)nc1-c1ccco1 ZINC000626819680 366335069 /nfs/dbraw/zinc/33/50/69/366335069.db2.gz ZBOBFFMRILJATE-UHFFFAOYSA-N 0 0 304.350 2.394 10 30 DEEERN Cc1ncc(S(=O)(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1C#N ZINC000387355181 356703445 /nfs/dbraw/zinc/70/34/45/356703445.db2.gz XADNJDGBAUHDGT-JRPNMDOOSA-N 0 0 307.419 2.365 10 30 DEEERN N#Cc1cc(C(F)(F)F)c(C(F)(F)F)cc1S(N)(=O)=O ZINC000514281153 356741689 /nfs/dbraw/zinc/74/16/89/356741689.db2.gz TYBPXHUNFFCVAY-UHFFFAOYSA-N 0 0 318.198 2.243 10 30 DEEERN N#Cc1cnc(N2CCC[C@H](C(=O)N3CCCC3)C2)c(Cl)c1 ZINC000408125329 283231895 /nfs/dbraw/zinc/23/18/95/283231895.db2.gz YDVBHMALZNURDK-ZDUSSCGKSA-N 0 0 318.808 2.445 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCC(c2nc(N(C)C)n[nH]2)CC1 ZINC000580780456 357081080 /nfs/dbraw/zinc/08/10/80/357081080.db2.gz GNSTYATTXHSOET-LBPRGKRZSA-N 0 0 305.426 2.179 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)NCc1ccc(F)cc1CSC ZINC000591980403 540259419 /nfs/dbraw/zinc/25/94/19/540259419.db2.gz CQKWZTAXYRSKOD-HNNXBMFYSA-N 0 0 324.421 2.262 10 30 DEEERN CC(C)[C@@H](C)NC(=O)C1CCN(c2cc(C#N)ccn2)CC1 ZINC000587622587 357381614 /nfs/dbraw/zinc/38/16/14/357381614.db2.gz SMVUXGPNECLTSK-CYBMUJFWSA-N 0 0 300.406 2.330 10 30 DEEERN N#Cc1cc(Br)cn(CC[C@@H]2CCCCO2)c1=O ZINC000589258474 357458995 /nfs/dbraw/zinc/45/89/95/357458995.db2.gz GJFGDQOKOYFSID-LBPRGKRZSA-N 0 0 311.179 2.442 10 30 DEEERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2ccc(CC#N)cc2)C1 ZINC000591682942 357750832 /nfs/dbraw/zinc/75/08/32/357750832.db2.gz UARNFYIARKHQJH-CABCVRRESA-N 0 0 310.357 2.078 10 30 DEEERN C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)CC(F)F ZINC000592067846 357823954 /nfs/dbraw/zinc/82/39/54/357823954.db2.gz VKOIHZSGWWTFLO-SNVBAGLBSA-N 0 0 302.346 2.269 10 30 DEEERN CC[C@H]1CN(C(=O)c2cc(C#N)cs2)CCN1CC(F)F ZINC000179410325 199031057 /nfs/dbraw/zinc/03/10/57/199031057.db2.gz MVTAPXAMVIRKCI-NSHDSACASA-N 0 0 313.373 2.421 10 30 DEEERN C=C(C)C(C)(C)C(=O)Nc1ncn(CC(=O)OC(C)(C)C)n1 ZINC000592652600 357919969 /nfs/dbraw/zinc/91/99/69/357919969.db2.gz OVHLMZBJZXERMK-UHFFFAOYSA-N 0 0 308.382 2.161 10 30 DEEERN C=CCNC(=O)NC(=O)CNC1(c2ccccc2Cl)CCC1 ZINC000593042795 357994168 /nfs/dbraw/zinc/99/41/68/357994168.db2.gz UNZGUHXTXDILTK-UHFFFAOYSA-N 0 0 321.808 2.321 10 30 DEEERN C#CCCCCC(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000179911239 199093499 /nfs/dbraw/zinc/09/34/99/199093499.db2.gz NAERQKGOZFSJQF-UHFFFAOYSA-N 0 0 300.406 2.097 10 30 DEEERN C=CCCn1cc(C[S@@](=O)[C@H](C)c2nc(C(C)C)no2)nn1 ZINC000593939664 358174927 /nfs/dbraw/zinc/17/49/27/358174927.db2.gz ZPBNSJUYMCGMDZ-RKFFSXRUSA-N 0 0 323.422 2.371 10 30 DEEERN C=CCCn1cc(CN(C)[C@H](CC)C(=O)OC(C)(C)C)nn1 ZINC000594015020 358189258 /nfs/dbraw/zinc/18/92/58/358189258.db2.gz SHMGQLKHGIUGDI-CQSZACIVSA-N 0 0 308.426 2.406 10 30 DEEERN C=CCCn1cc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)nn1 ZINC000593961025 358179335 /nfs/dbraw/zinc/17/93/35/358179335.db2.gz NYAKCPKNFXWNEO-ZDUSSCGKSA-N 0 0 306.410 2.018 10 30 DEEERN C=CCCn1cc(COc2cc(OC)ccc2C(=O)OC)nn1 ZINC000594481349 358280631 /nfs/dbraw/zinc/28/06/31/358280631.db2.gz NPOKNVPJJROLHY-UHFFFAOYSA-N 0 0 317.345 2.228 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@H](CCF)C2)s1 ZINC000594857206 358349741 /nfs/dbraw/zinc/34/97/41/358349741.db2.gz OJWSNNAZGPSVRU-SNVBAGLBSA-N 0 0 302.396 2.380 10 30 DEEERN C[C@@]1(C#N)CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000595368016 358433376 /nfs/dbraw/zinc/43/33/76/358433376.db2.gz VNVRTRQOVDMTPE-ZDUSSCGKSA-N 0 0 309.778 2.136 10 30 DEEERN C=CCOCCCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000595767016 358544460 /nfs/dbraw/zinc/54/44/60/358544460.db2.gz LFNSMGFEKFSSDU-UHFFFAOYSA-N 0 0 307.350 2.329 10 30 DEEERN CC(=O)N1CCc2cc(NC(=O)N3CC[C@](C)(C#N)C3)ccc21 ZINC000596657025 358734533 /nfs/dbraw/zinc/73/45/33/358734533.db2.gz MCACMSFFACJCLW-QGZVFWFLSA-N 0 0 312.373 2.363 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)N1C[C@H](C)O[C@H](C(=O)OC)C1 ZINC000596661857 358734842 /nfs/dbraw/zinc/73/48/42/358734842.db2.gz LSPPRBHDCUSODN-AJNGGQMLSA-N 0 0 324.421 2.093 10 30 DEEERN C=CCSCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CC=C ZINC000597217503 358858085 /nfs/dbraw/zinc/85/80/85/358858085.db2.gz DGCXQZFBZRBVFU-UONOGXRCSA-N 0 0 310.463 2.273 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C#N)ccc1NC ZINC000597605426 358961560 /nfs/dbraw/zinc/96/15/60/358961560.db2.gz PZJMPPWWVMFISN-OAHLLOKOSA-N 0 0 300.362 2.009 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(Cl)cc1C(C)C ZINC000627470319 366528677 /nfs/dbraw/zinc/52/86/77/366528677.db2.gz OVYCTDCKKZRDSS-LBPRGKRZSA-N 0 0 324.808 2.455 10 30 DEEERN C=CCOCCNC(=O)C(=O)Nc1cccc([C@H](C)CC)c1 ZINC000627462261 366528702 /nfs/dbraw/zinc/52/87/02/366528702.db2.gz OHCOOAOOMLJQEF-CYBMUJFWSA-N 0 0 304.390 2.457 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC1CCC(CSC)CC1 ZINC000597718066 358987259 /nfs/dbraw/zinc/98/72/59/358987259.db2.gz VMBYYLBRXRQPLC-NRXISQOPSA-N 0 0 312.479 2.495 10 30 DEEERN C=CCOCCCNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000598207593 359122880 /nfs/dbraw/zinc/12/28/80/359122880.db2.gz UWLVWERSNYOBBT-UHFFFAOYSA-N 0 0 313.279 2.295 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000185814799 199890903 /nfs/dbraw/zinc/89/09/03/199890903.db2.gz SUYXBFLPUGAAKI-GXSJLCMTSA-N 0 0 301.745 2.300 10 30 DEEERN C=C[C@](C)(CC)C(=O)N1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000598149363 359108431 /nfs/dbraw/zinc/10/84/31/359108431.db2.gz PNCUPIFVHCWLJK-FSPWUOQZSA-N 0 0 323.433 2.405 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000185982807 199912744 /nfs/dbraw/zinc/91/27/44/199912744.db2.gz CPFUUAUOOXAOPP-LBPRGKRZSA-N 0 0 320.389 2.361 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)NCC1(C(=O)OC(C)(C)C)CCC1 ZINC000598498904 359222521 /nfs/dbraw/zinc/22/25/21/359222521.db2.gz ASWDBVFXFDQTOD-OLZOCXBDSA-N 0 0 309.406 2.206 10 30 DEEERN C=CCSCCNC(=O)NCc1ccc(CC(=O)OC)cc1 ZINC000598979446 359375130 /nfs/dbraw/zinc/37/51/30/359375130.db2.gz WJCYZVYMRNWBOS-UHFFFAOYSA-N 0 0 322.430 2.121 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000598801182 359329448 /nfs/dbraw/zinc/32/94/48/359329448.db2.gz JIEDDDPGZARCLR-ZDUSSCGKSA-N 0 0 321.333 2.013 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cn2c(n1)COCC2 ZINC000599199100 359430869 /nfs/dbraw/zinc/43/08/69/359430869.db2.gz AFLGZJONUUNKMH-UHFFFAOYSA-N 0 0 322.368 2.113 10 30 DEEERN C=CCSCCNC(=O)Cn1cc(C)c(C(F)(F)F)n1 ZINC000599200855 359431640 /nfs/dbraw/zinc/43/16/40/359431640.db2.gz DBCXLHOHZJRVSB-UHFFFAOYSA-N 0 0 307.341 2.246 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2)C1 ZINC000599375340 359482427 /nfs/dbraw/zinc/48/24/27/359482427.db2.gz SFUSHCYWLOGBBV-LBPRGKRZSA-N 0 0 309.387 2.060 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)C1 ZINC000599375371 359482551 /nfs/dbraw/zinc/48/25/51/359482551.db2.gz UADRAGDIHBJDIX-JTQLQIEISA-N 0 0 315.416 2.121 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)s2)C1 ZINC000599375814 359482832 /nfs/dbraw/zinc/48/28/32/359482832.db2.gz ZCZCKINPFSDRJJ-SNVBAGLBSA-N 0 0 315.416 2.121 10 30 DEEERN C=CCCn1cc(CN2CC[C@H](C(=O)OC)[C@H]3CCC[C@H]32)nn1 ZINC000599644781 359553721 /nfs/dbraw/zinc/55/37/21/359553721.db2.gz BUHRVTXGBVYIEQ-OWCLPIDISA-N 0 0 318.421 2.018 10 30 DEEERN C=C(C)CNC(=O)Nc1ccc(O[C@@H](C)C(=O)OC)c(F)c1 ZINC000599869660 359614305 /nfs/dbraw/zinc/61/43/05/359614305.db2.gz DTTVKBGNEIJMEO-JTQLQIEISA-N 0 0 310.325 2.464 10 30 DEEERN C=CCCNC(=O)Nc1ccc(O[C@@H](C)C(=O)OC)c(F)c1 ZINC000599871521 359615265 /nfs/dbraw/zinc/61/52/65/359615265.db2.gz RBRHUQMRQCYISS-JTQLQIEISA-N 0 0 310.325 2.464 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000599994866 359631509 /nfs/dbraw/zinc/63/15/09/359631509.db2.gz MKWVCFQFMLCOCT-JOCHJYFZSA-N 0 0 322.430 2.081 10 30 DEEERN N#Cc1ccc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000187579293 200130230 /nfs/dbraw/zinc/13/02/30/200130230.db2.gz ZFKDLMHSJPSYQL-HOTGVXAUSA-N 0 0 312.394 2.468 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCc2occc2[C@@H]1C(=O)OCC ZINC000600250895 359703581 /nfs/dbraw/zinc/70/35/81/359703581.db2.gz QUCHWJCDXCELBH-SWLSCSKDSA-N 0 0 321.373 2.250 10 30 DEEERN CCOc1ccc(C#N)cc1NC(=O)N(C)CC1(CO)CC1 ZINC000187853504 200166683 /nfs/dbraw/zinc/16/66/83/200166683.db2.gz WPFUADAKWBBCKB-UHFFFAOYSA-N 0 0 303.362 2.193 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)NS(C)(=O)=O ZINC000188058228 200187400 /nfs/dbraw/zinc/18/74/00/200187400.db2.gz YUVGIRWGAAYSHL-LBPRGKRZSA-N 0 0 324.446 2.415 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccccc1COC ZINC000627688165 366592793 /nfs/dbraw/zinc/59/27/93/366592793.db2.gz RUKHTANZYKDUIA-UHFFFAOYSA-N 0 0 304.390 2.490 10 30 DEEERN C=CCCn1cc(C[S@](=O)Cc2ccc(C)c(C#N)c2)nn1 ZINC000600916508 359860337 /nfs/dbraw/zinc/86/03/37/359860337.db2.gz RJJVGXWXDCZFRC-JOCHJYFZSA-N 0 0 314.414 2.483 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@H]2C[C@H](O)C23CCC3)cc1 ZINC000619069018 363692053 /nfs/dbraw/zinc/69/20/53/363692053.db2.gz GYYDAOCGTXGXCK-HOTGVXAUSA-N 0 0 301.386 2.214 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)c1cn2c(n1)COCC2 ZINC000627762478 366614581 /nfs/dbraw/zinc/61/45/81/366614581.db2.gz GCHXUIYFRKEPTC-OAHLLOKOSA-N 0 0 311.385 2.331 10 30 DEEERN N#Cc1ccnc(NC(=O)c2cnn(Cc3ccccc3)c2)c1 ZINC000436004707 237707968 /nfs/dbraw/zinc/70/79/68/237707968.db2.gz KCEPCRNJHVXLJI-UHFFFAOYSA-N 0 0 303.325 2.450 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2c(C)noc2C2CC2)C1 ZINC000627733741 366603284 /nfs/dbraw/zinc/60/32/84/366603284.db2.gz BUKRKEZQEMFHHE-NSHDSACASA-N 0 0 303.362 2.224 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cccc(-c3cc[nH]n3)c2)C1 ZINC000627733464 366603800 /nfs/dbraw/zinc/60/38/00/366603800.db2.gz VMTHYLWSQMIYHB-ZDUSSCGKSA-N 0 0 324.384 2.440 10 30 DEEERN C=C(C)C[C@@H](NS(=O)(=O)c1sc(C)cc1C)C(=O)OC ZINC000601502769 360056508 /nfs/dbraw/zinc/05/65/08/360056508.db2.gz XOQMDTQSAFVWOT-LLVKDONJSA-N 0 0 317.432 2.151 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601625145 360092137 /nfs/dbraw/zinc/09/21/37/360092137.db2.gz LJGRWKSLIBTSDL-AWEZNQCLSA-N 0 0 318.373 2.460 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cc1cccc2cccnc21)C(=O)OC ZINC000601778730 360144657 /nfs/dbraw/zinc/14/46/57/360144657.db2.gz PVDKCWLLVPMWMR-HNNXBMFYSA-N 0 0 312.369 2.401 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](C)c1cccc(OC)c1)C(=O)OC ZINC000601783647 360147955 /nfs/dbraw/zinc/14/79/55/360147955.db2.gz ANVPLHUBPKRTNW-WFASDCNBSA-N 0 0 305.374 2.423 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(C)cc2c[nH]nc21)C(=O)OC ZINC000601787584 360150488 /nfs/dbraw/zinc/15/04/88/360150488.db2.gz ZGSUCKALIPZMSD-ZDUSSCGKSA-N 0 0 301.346 2.109 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(SCC)nc1)C(=O)OC ZINC000601787631 360150563 /nfs/dbraw/zinc/15/05/63/360150563.db2.gz ZZTPTUCIPKSNEP-GFCCVEGCSA-N 0 0 308.403 2.431 10 30 DEEERN C=C[C@H](N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)C(=O)OC ZINC000601932501 360195748 /nfs/dbraw/zinc/19/57/48/360195748.db2.gz GGCROGGDVDMNLW-VZZFWQQMSA-N 0 0 322.202 2.404 10 30 DEEERN C=C(C)C[C@@H](NCc1cn(-c2ccccc2C)nn1)C(=O)OC ZINC000602735285 360525926 /nfs/dbraw/zinc/52/59/26/360525926.db2.gz UEHFTIRBPOKATG-OAHLLOKOSA-N 0 0 314.389 2.173 10 30 DEEERN C=C(C)C[C@H](NCc1cn(-c2ccccc2C)nn1)C(=O)OC ZINC000602735284 360526073 /nfs/dbraw/zinc/52/60/73/360526073.db2.gz UEHFTIRBPOKATG-HNNXBMFYSA-N 0 0 314.389 2.173 10 30 DEEERN C=C(C)C[C@H](NCc1nccn1CC(F)(F)F)C(=O)OC ZINC000602735586 360527482 /nfs/dbraw/zinc/52/74/82/360527482.db2.gz XYLCSLUHGZSZGP-JTQLQIEISA-N 0 0 305.300 2.043 10 30 DEEERN C=CCn1c(Sc2cnc(C(=O)OC)cn2)nnc1C1CC1 ZINC000603273857 360774002 /nfs/dbraw/zinc/77/40/02/360774002.db2.gz PYLDPUJTEYLMQR-UHFFFAOYSA-N 0 0 317.374 2.069 10 30 DEEERN CC[C@H]1CO[C@@H](C)CN1C(=O)NCc1ccc(C#N)cc1F ZINC000609253723 361291451 /nfs/dbraw/zinc/29/14/51/361291451.db2.gz IVMIUDCJNRPBNG-FZMZJTMJSA-N 0 0 305.353 2.406 10 30 DEEERN N#Cc1ccc(CNC(=O)NCCOCC(F)(F)F)c(F)c1 ZINC000609240264 361291509 /nfs/dbraw/zinc/29/15/09/361291509.db2.gz YHDRXLSVTCBGAT-UHFFFAOYSA-N 0 0 319.258 2.075 10 30 DEEERN CC(C)c1nc(S(=O)(=O)NCc2ccc(C#N)cc2F)c[nH]1 ZINC000610469980 361404278 /nfs/dbraw/zinc/40/42/78/361404278.db2.gz AOAYGXYWJUFVBG-UHFFFAOYSA-N 0 0 322.365 2.022 10 30 DEEERN C[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)c1ccncc1 ZINC000610518349 361414838 /nfs/dbraw/zinc/41/48/38/361414838.db2.gz BLFFCSQQDWRZST-ZDUSSCGKSA-N 0 0 315.398 2.176 10 30 DEEERN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccnc(C#N)c2)C1 ZINC000193830926 201131516 /nfs/dbraw/zinc/13/15/16/201131516.db2.gz UVSQPOGNDGIIPN-ZDUSSCGKSA-N 0 0 315.373 2.147 10 30 DEEERN C=CC(C)(C)CCNC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000628318624 366809059 /nfs/dbraw/zinc/80/90/59/366809059.db2.gz NEWPETQDOPZJBZ-UHFFFAOYSA-N 0 0 314.385 2.391 10 30 DEEERN N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C2=CCC2)cc1 ZINC000611540009 361626181 /nfs/dbraw/zinc/62/61/81/361626181.db2.gz TVOPWWVCHUWVSA-AWEZNQCLSA-N 0 0 313.382 2.118 10 30 DEEERN C=CCOCCNC(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000611546470 361627013 /nfs/dbraw/zinc/62/70/13/361627013.db2.gz FURWDJUVCDBGRH-XMHCIUCPSA-N 0 0 324.446 2.329 10 30 DEEERN Cc1nc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cs1 ZINC000611554486 361628302 /nfs/dbraw/zinc/62/83/02/361628302.db2.gz RQARVOWVQWEOHM-OAHLLOKOSA-N 0 0 323.418 2.329 10 30 DEEERN C=CCOCCNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000611556962 361629654 /nfs/dbraw/zinc/62/96/54/361629654.db2.gz KVPSXXVQURIVNM-UHFFFAOYSA-N 0 0 311.288 2.484 10 30 DEEERN COC(=O)C1CCC(NC(=O)N2CCC(C)(C#N)CC2)CC1 ZINC000611562714 361632408 /nfs/dbraw/zinc/63/24/08/361632408.db2.gz XSDQSJXJEGNXQT-UHFFFAOYSA-N 0 0 307.394 2.053 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C1CCCCC1 ZINC000611998313 361722077 /nfs/dbraw/zinc/72/20/77/361722077.db2.gz KQPDUCKEXNTECO-BPUTZDHNSA-N 0 0 322.449 2.026 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H](C)CCOC ZINC000611968248 361714491 /nfs/dbraw/zinc/71/44/91/361714491.db2.gz UZZKDAJXGDDEEV-KFWWJZLASA-N 0 0 310.438 2.026 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@@H]1CCc2ccc(O)cc21 ZINC000612036968 361729035 /nfs/dbraw/zinc/72/90/35/361729035.db2.gz BFTPGBDPDDDHAZ-MRXNPFEDSA-N 0 0 316.401 2.358 10 30 DEEERN C=C[C@H](NCCN1CCc2c(Cl)cccc2C1)C(=O)OC ZINC000619704040 363861313 /nfs/dbraw/zinc/86/13/13/363861313.db2.gz UHPWVIRXYZCIDP-HNNXBMFYSA-N 0 0 308.809 2.015 10 30 DEEERN C[C@H](C(=O)N[C@H]1CCCc2ccc(F)cc21)n1cnc(C#N)n1 ZINC000619600110 363837957 /nfs/dbraw/zinc/83/79/57/363837957.db2.gz MZRCJVSBIZFPJU-YGRLFVJLSA-N 0 0 313.336 2.044 10 30 DEEERN Cn1ncc(C(=O)NCC2CCC(C#N)CC2)c1C(F)(F)F ZINC000619660316 363849864 /nfs/dbraw/zinc/84/98/64/363849864.db2.gz SOQQKBXVTMYOPP-UHFFFAOYSA-N 0 0 314.311 2.499 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1ccccc1)[C@H](O)C(C)C ZINC000619916699 363907873 /nfs/dbraw/zinc/90/78/73/363907873.db2.gz KDNPBPACCTXTOV-LTIDMASMSA-N 0 0 303.402 2.452 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1N1CCOCC1 ZINC000620312662 364014163 /nfs/dbraw/zinc/01/41/63/364014163.db2.gz HPLQTINNLDPXSZ-GASCZTMLSA-N 0 0 313.401 2.241 10 30 DEEERN C=C(CNC(=O)C1(CCF)CC1)CNC(=O)C1(CCF)CC1 ZINC000620749855 364140485 /nfs/dbraw/zinc/14/04/85/364140485.db2.gz PVLLTQSCVCYVTC-UHFFFAOYSA-N 0 0 314.376 2.055 10 30 DEEERN C=CC(C)(C)C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000620725930 364136775 /nfs/dbraw/zinc/13/67/75/364136775.db2.gz AMZZEAZSNYEPHD-KRWDZBQOSA-N 0 0 315.461 2.131 10 30 DEEERN C=CCOCCNC(=O)N(C)Cc1c(C)cc(C)nc1OC ZINC000621444738 364403630 /nfs/dbraw/zinc/40/36/30/364403630.db2.gz WCMZTRWRXXFAMG-UHFFFAOYSA-N 0 0 307.394 2.051 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621518124 364434704 /nfs/dbraw/zinc/43/47/04/364434704.db2.gz ROQWMGIHGMMXRT-UKRRQHHQSA-N 0 0 322.430 2.310 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000628487452 366864912 /nfs/dbraw/zinc/86/49/12/366864912.db2.gz FWCKTZLGZMUQAO-SJLPKXTDSA-N 0 0 314.429 2.312 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cnc3c(c2)NC(=O)CS3)C1 ZINC000628489810 366865311 /nfs/dbraw/zinc/86/53/11/366865311.db2.gz HTFGQGWYXXAIBK-SNVBAGLBSA-N 0 0 303.387 2.164 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(OC)ccc1OC ZINC000622763257 364791426 /nfs/dbraw/zinc/79/14/26/364791426.db2.gz URNJUVNAGYBQNB-CQSZACIVSA-N 0 0 306.362 2.113 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCCC(=O)NC2CCCCC2)C1 ZINC000623487415 365048113 /nfs/dbraw/zinc/04/81/13/365048113.db2.gz AXDGHEJMLNFKIZ-CQSZACIVSA-N 0 0 307.438 2.433 10 30 DEEERN C=C[C@@H](C)NC(=O)NC[C@H]1CCN1Cc1ccc(OC)cc1 ZINC000623746420 365160103 /nfs/dbraw/zinc/16/01/03/365160103.db2.gz DMBJHPALPJYUKZ-UKRRQHHQSA-N 0 0 303.406 2.143 10 30 DEEERN C=C[C@H](C)NC(=O)NC[C@H]1CCN1Cc1ccc(OC)cc1 ZINC000623746418 365160555 /nfs/dbraw/zinc/16/05/55/365160555.db2.gz DMBJHPALPJYUKZ-DZGCQCFKSA-N 0 0 303.406 2.143 10 30 DEEERN COc1ccc(COc2cccc3c2NC(=O)CO3)cc1C#N ZINC000091600695 193078814 /nfs/dbraw/zinc/07/88/14/193078814.db2.gz LTQNBSQVEKIFBU-UHFFFAOYSA-N 0 0 310.309 2.477 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCO[C@@H](c3ccnn3C)C2)C1 ZINC000624167972 365315865 /nfs/dbraw/zinc/31/58/65/365315865.db2.gz SUIUQQUOWBQPID-IJEWVQPXSA-N 0 0 318.421 2.248 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCC1CCc2ccccc2CC1 ZINC000624476504 365435894 /nfs/dbraw/zinc/43/58/94/365435894.db2.gz VEPMHQPOJUMMKC-KRWDZBQOSA-N 0 0 302.418 2.418 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NC[C@H]2CCCN2CC(F)F)C1 ZINC000624565739 365474533 /nfs/dbraw/zinc/47/45/33/365474533.db2.gz GRLWPJRWTVWVDD-QWHCGFSZSA-N 0 0 301.381 2.324 10 30 DEEERN COc1cccc(O[C@@H](C)CNC(=O)c2ccc(C#N)n2C)c1 ZINC000449963690 241299357 /nfs/dbraw/zinc/29/93/57/241299357.db2.gz BOEKTJSCXVQWFZ-LBPRGKRZSA-N 0 0 313.357 2.103 10 30 DEEERN C=CCOC[C@H]1NC(=O)N([C@@H]2[C@@H](c3ccccc3)C2(C)C)C1=O ZINC000629481051 367215032 /nfs/dbraw/zinc/21/50/32/367215032.db2.gz BIVBHQMYHZDOGE-RBSFLKMASA-N 0 0 314.385 2.302 10 30 DEEERN Cc1noc(CN2CCN(c3cccc(Cl)c3C#N)CC2)n1 ZINC000450315918 241677941 /nfs/dbraw/zinc/67/79/41/241677941.db2.gz GJXJBIFANUOXED-UHFFFAOYSA-N 0 0 317.780 2.225 10 30 DEEERN C=CCc1ccc(OCC(=O)NC[C@H]2C[C@@H](OC)C2)c(OC)c1 ZINC000629826223 367340850 /nfs/dbraw/zinc/34/08/50/367340850.db2.gz IYTALFONWHDJDZ-GASCZTMLSA-N 0 0 319.401 2.344 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000629717965 367312735 /nfs/dbraw/zinc/31/27/35/367312735.db2.gz MXLJMLZZUVMTIQ-CXAGYDPISA-N 0 0 307.365 2.477 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NCc1cc(COC(C)(C)C)on1 ZINC000450774109 242201719 /nfs/dbraw/zinc/20/17/19/242201719.db2.gz RZPJDYHNIDSGRH-UHFFFAOYSA-N 0 0 316.361 2.130 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1sc(-c2c(C)noc2C)nc1C ZINC000450850333 242305261 /nfs/dbraw/zinc/30/52/61/242305261.db2.gz YRRBNLSGIHSTIO-NSHDSACASA-N 0 0 321.402 2.390 10 30 DEEERN CN(CCC(F)(F)F)S(=O)(=O)c1ccc(CC#N)cc1 ZINC000092132415 193166517 /nfs/dbraw/zinc/16/65/17/193166517.db2.gz WMUNZZWBSZMSID-UHFFFAOYSA-N 0 0 306.309 2.326 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCN2CCCc3ccccc32)C1=O ZINC000630972011 367944209 /nfs/dbraw/zinc/94/42/09/367944209.db2.gz UMJLLQNRHNXGFH-OAHLLOKOSA-N 0 0 313.401 2.326 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H](CC)c2c(C)nn(C)c2C)C1=O ZINC000630976061 367946686 /nfs/dbraw/zinc/94/66/86/367946686.db2.gz OCPGESUQODITFP-STQMWFEESA-N 0 0 304.394 2.375 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@](C)(OC)c2ccccc2)C1=O ZINC000630982236 367949370 /nfs/dbraw/zinc/94/93/70/367949370.db2.gz JYYMWCYTEHYYLX-YOEHRIQHSA-N 0 0 302.374 2.435 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@]2(C)COc3ccccc3O2)C1=O ZINC000630985307 367950761 /nfs/dbraw/zinc/95/07/61/367950761.db2.gz GVYIRLKDCTYFFU-YVEFUNNKSA-N 0 0 316.357 2.103 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2cccnc2N2CCCC2)C1=O ZINC000630986864 367952350 /nfs/dbraw/zinc/95/23/50/367952350.db2.gz MBUUYXGEVNQCSX-AWEZNQCLSA-N 0 0 314.389 2.068 10 30 DEEERN C=CCN1CC[C@@H](Sc2nc(C)c(C3CC3)c(=O)[nH]2)C1=O ZINC000631023201 367972437 /nfs/dbraw/zinc/97/24/37/367972437.db2.gz LJPSIHFGVNDMFW-LLVKDONJSA-N 0 0 305.403 2.247 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCC(=O)[C@@H](C)C2)cc1OC ZINC000275200903 212192082 /nfs/dbraw/zinc/19/20/82/212192082.db2.gz DBIRAGLFCYAILQ-LBPRGKRZSA-N 0 0 303.358 2.311 10 30 DEEERN CN[C@]1(C#N)CC[C@H](Sc2ccc(S(C)(=O)=O)cc2)C1 ZINC000093807101 193310891 /nfs/dbraw/zinc/31/08/91/193310891.db2.gz MZCBSUCEIZZNLO-GXTWGEPZSA-N 0 0 310.444 2.216 10 30 DEEERN C=CCS(=O)(=O)[N-]c1nc(-c2ccc(C[NH3+])cc2)cs1 ZINC000093938396 193330111 /nfs/dbraw/zinc/33/01/11/193330111.db2.gz IWMGCNYWXQHCBE-UHFFFAOYSA-N 0 0 309.416 2.197 10 30 DEEERN Cc1ccc2c(N)c(C(=O)N3CCO[C@H](C#N)C3)sc2c1 ZINC000093938041 193330168 /nfs/dbraw/zinc/33/01/68/193330168.db2.gz VAKULCVGJDHAMM-SNVBAGLBSA-N 0 0 301.371 2.157 10 30 DEEERN Cc1cscc1C(=O)NCc1cc(C#CCO)ccc1F ZINC000094248491 193354564 /nfs/dbraw/zinc/35/45/64/193354564.db2.gz UUYCPPGJVBZNEB-UHFFFAOYSA-N 0 0 303.358 2.469 10 30 DEEERN Cc1cc(C(=O)N2CCCSCC2)sc1C#CCCO ZINC000094534214 193377159 /nfs/dbraw/zinc/37/71/59/193377159.db2.gz REGHMGZESXLOSA-UHFFFAOYSA-N 0 0 309.456 2.370 10 30 DEEERN Cc1cc(C(=O)N2C[C@@H](C)OC(C)(C)C2)sc1C#CCO ZINC000094535057 193377230 /nfs/dbraw/zinc/37/72/30/193377230.db2.gz XVYPXJKYZRHRCS-GFCCVEGCSA-N 0 0 307.415 2.040 10 30 DEEERN Cc1cc(C(=O)NCc2cccnc2)sc1C#CCCO ZINC000094534025 193377256 /nfs/dbraw/zinc/37/72/56/193377256.db2.gz CZFWGBWODJFEPT-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN Cc1cc(C(=O)N2C[C@H](C)S[C@@H](C)C2)sc1C#CCO ZINC000094535530 193377514 /nfs/dbraw/zinc/37/75/14/193377514.db2.gz WHDAZOLFTJMYKD-RYUDHWBXSA-N 0 0 309.456 2.366 10 30 DEEERN C[C@@H](CC#N)N(C)C(=O)c1cccc(C(F)(F)F)c1NN ZINC000094599585 193383113 /nfs/dbraw/zinc/38/31/13/193383113.db2.gz YPKBMMFYPRDDCP-QMMMGPOBSA-N 0 0 300.284 2.365 10 30 DEEERN Cc1cc(C)cc(C[S@](=O)CCC(=O)N(C)CCC#N)c1 ZINC000094721177 193393790 /nfs/dbraw/zinc/39/37/90/193393790.db2.gz URBUQSNENZMTPJ-NRFANRHFSA-N 0 0 306.431 2.314 10 30 DEEERN Cc1nc(NC(=O)C(=O)N(C)C[C@@H]2CC=CCC2)ccc1C#N ZINC000453696648 245259755 /nfs/dbraw/zinc/25/97/55/245259755.db2.gz XAMIBTBDWSBTFH-CYBMUJFWSA-N 0 0 312.373 2.015 10 30 DEEERN C=CCCCCNC(=O)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000453767743 245282953 /nfs/dbraw/zinc/28/29/53/245282953.db2.gz YBLXYMQFDRSFJI-UHFFFAOYSA-N 0 0 300.358 2.227 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C)CCCCO ZINC000453842254 245321965 /nfs/dbraw/zinc/32/19/65/245321965.db2.gz AXVYJWBJFXIDCV-AWEZNQCLSA-N 0 0 318.417 2.411 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cc(CC)ccc1CC ZINC000453920400 245356079 /nfs/dbraw/zinc/35/60/79/245356079.db2.gz CZVAWTOMMSNRMP-ZBFHGGJFSA-N 0 0 316.401 2.210 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1COCC1(C)C ZINC000454003831 245391070 /nfs/dbraw/zinc/39/10/70/245391070.db2.gz SQASPGFFOHLZCI-OAHLLOKOSA-N 0 0 316.401 2.285 10 30 DEEERN COc1ccc(Br)cc1C(=O)N[C@H](C#N)C1CC1 ZINC000161906211 197527721 /nfs/dbraw/zinc/52/77/21/197527721.db2.gz YJUQWOYPJBHGCQ-LLVKDONJSA-N 0 0 309.163 2.490 10 30 DEEERN Cc1nnc(SCCC(=O)Nc2cccc(C#N)c2)n1C ZINC000028187637 182510431 /nfs/dbraw/zinc/51/04/31/182510431.db2.gz MKGORSIQLIBCLJ-UHFFFAOYSA-N 0 0 301.375 2.116 10 30 DEEERN C=CCN(Cc1ccccc1)S(=O)(=O)c1ccnn1CC ZINC000274433153 211610407 /nfs/dbraw/zinc/61/04/07/211610407.db2.gz FFAXHBHUJDRMIS-UHFFFAOYSA-N 0 0 305.403 2.280 10 30 DEEERN C=CCC[C@@H](NC(=O)[C@H](OC)c1ccc(O)cc1)C(=O)OCC ZINC000456600058 247300170 /nfs/dbraw/zinc/30/01/70/247300170.db2.gz DFGQSDNBQKGDGE-HUUCEWRRSA-N 0 0 321.373 2.094 10 30 DEEERN C=CCC[C@H](NC(=O)[C@H](C)c1ncccc1F)C(=O)OCC ZINC000456599791 247301730 /nfs/dbraw/zinc/30/17/30/247301730.db2.gz CRCPBKWNJWWILR-YPMHNXCESA-N 0 0 308.353 2.338 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000456668983 247350415 /nfs/dbraw/zinc/35/04/15/247350415.db2.gz XQICAARTOWFETB-OLZOCXBDSA-N 0 0 322.371 2.310 10 30 DEEERN C=C(CC)CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000456815257 247438838 /nfs/dbraw/zinc/43/88/38/247438838.db2.gz XHQFGCKMZPFHDR-WBVHZDCISA-N 0 0 316.401 2.297 10 30 DEEERN C=CCC1(CNC(=O)NC2CCC(C(N)=O)CC2)CCCC1 ZINC000458478299 248331542 /nfs/dbraw/zinc/33/15/42/248331542.db2.gz CJVRTEHUTDAOSZ-UHFFFAOYSA-N 0 0 307.438 2.466 10 30 DEEERN Cc1cccc2nc(CNC(=O)c3cc(C#N)cn3C)n(C)c21 ZINC000159819226 197366641 /nfs/dbraw/zinc/36/66/41/197366641.db2.gz CUEPTZPKLBOXPJ-UHFFFAOYSA-N 0 0 307.357 2.022 10 30 DEEERN N#Cc1c(NC(=O)[C@H]2CSCN2)sc2c1CCCCC2 ZINC000040853296 183142233 /nfs/dbraw/zinc/14/22/33/183142233.db2.gz WPIVTDYCLNWUBP-LLVKDONJSA-N 0 0 307.444 2.490 10 30 DEEERN N#C[C@H](c1cccs1)N1CCN(C(=O)c2cccnc2)CC1 ZINC000041257377 183181377 /nfs/dbraw/zinc/18/13/77/183181377.db2.gz RHZBITAKBYMEBG-CQSZACIVSA-N 0 0 312.398 2.166 10 30 DEEERN N#C[C@@H](c1ccccc1F)N1CCN(C(=O)c2cccnc2)CC1 ZINC000041257789 183181485 /nfs/dbraw/zinc/18/14/85/183181485.db2.gz FQXHBVWIIBUMCD-KRWDZBQOSA-N 0 0 324.359 2.243 10 30 DEEERN Cc1ccc([C@H](C#N)N2CCN(C(=O)c3cccnc3)CC2)cc1 ZINC000041258739 183182153 /nfs/dbraw/zinc/18/21/53/183182153.db2.gz QOMKXHBCGFHIOX-SFHVURJKSA-N 0 0 320.396 2.413 10 30 DEEERN COc1ccc(CNC(=O)CSCC#N)cc1OC(F)F ZINC000041897255 183224691 /nfs/dbraw/zinc/22/46/91/183224691.db2.gz LCQACARPZYZKOP-UHFFFAOYSA-N 0 0 316.329 2.170 10 30 DEEERN CN(CC(=O)N(C)CCC#N)Cc1ccc(Br)cc1 ZINC000042313881 183253200 /nfs/dbraw/zinc/25/32/00/183253200.db2.gz HBAPNBVULDTMBU-UHFFFAOYSA-N 0 0 324.222 2.253 10 30 DEEERN C=CCNC(=O)N1CCc2[nH]c3ccc(C(=O)OC)cc3c2C1 ZINC000042925525 183319206 /nfs/dbraw/zinc/31/92/06/183319206.db2.gz WDUAZKYBABYAPS-UHFFFAOYSA-N 0 0 313.357 2.208 10 30 DEEERN CS(=O)(=O)c1ccc(CNc2ccc(N)cc2C#N)cc1 ZINC000045173631 183487735 /nfs/dbraw/zinc/48/77/35/183487735.db2.gz KZQWMUNPDSLLMK-UHFFFAOYSA-N 0 0 301.371 2.156 10 30 DEEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)CCCCC#N ZINC000109343546 194257968 /nfs/dbraw/zinc/25/79/68/194257968.db2.gz GEMUNKCFVQNKFV-AWEZNQCLSA-N 0 0 324.450 2.198 10 30 DEEERN C[C@@H](C#N)N1CCN(C(=O)c2cc3c(s2)CCCC3)CC1 ZINC000109444695 194263356 /nfs/dbraw/zinc/26/33/56/194263356.db2.gz SOUAGMDFYUUMAJ-LBPRGKRZSA-N 0 0 303.431 2.297 10 30 DEEERN COc1ccc(Cl)cc1C(=O)N1CCN([C@@H](C)C#N)CC1 ZINC000109445043 194263782 /nfs/dbraw/zinc/26/37/82/194263782.db2.gz BCPOZLVPRPUIRB-NSHDSACASA-N 0 0 307.781 2.018 10 30 DEEERN CC[C@]1(c2ccc(OC)c(C)c2)NC(=O)N(CCCC#N)C1=O ZINC000057849947 184057849 /nfs/dbraw/zinc/05/78/49/184057849.db2.gz UCBFWAADHUJIJV-QGZVFWFLSA-N 0 0 315.373 2.465 10 30 DEEERN Cc1cnc(C(=O)Nc2cc(C#CCO)ccc2Cl)cn1 ZINC000061691618 184182982 /nfs/dbraw/zinc/18/29/82/184182982.db2.gz AQNDFZFZQXTBLH-UHFFFAOYSA-N 0 0 301.733 2.035 10 30 DEEERN CNc1ccccc1S(=O)(=O)N(C)c1ccc(C#N)cc1 ZINC000061949052 184198366 /nfs/dbraw/zinc/19/83/66/184198366.db2.gz HPTGSCPIJGTOOK-UHFFFAOYSA-N 0 0 301.371 2.425 10 30 DEEERN CN(c1ccc(C#N)cc1)S(=O)(=O)c1ccc(N)cc1F ZINC000061957793 184198820 /nfs/dbraw/zinc/19/88/20/184198820.db2.gz NAHAJMYADWAJGY-UHFFFAOYSA-N 0 0 305.334 2.105 10 30 DEEERN COc1ccc(S(=O)(=O)N(C)c2ccc(C#N)cc2)cc1 ZINC000061955279 184198870 /nfs/dbraw/zinc/19/88/70/184198870.db2.gz ADOOZEWCGJRVOY-UHFFFAOYSA-N 0 0 302.355 2.392 10 30 DEEERN CN(c1ccc(C#N)cc1)S(=O)(=O)c1cc(F)ccc1N ZINC000061979697 184200142 /nfs/dbraw/zinc/20/01/42/184200142.db2.gz NZELPQLBJBOCDZ-UHFFFAOYSA-N 0 0 305.334 2.105 10 30 DEEERN CN(CC[C@H]1CCCCO1)S(=O)(=O)c1ccccc1C#N ZINC000062193602 184218645 /nfs/dbraw/zinc/21/86/45/184218645.db2.gz SKYZZXWQQAIHPS-CQSZACIVSA-N 0 0 308.403 2.138 10 30 DEEERN C#CCSCCNC(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000120078589 195092058 /nfs/dbraw/zinc/09/20/58/195092058.db2.gz FLMUTZOEURGVJB-JSGCOSHPSA-N 0 0 304.415 2.217 10 30 DEEERN Cc1ccc(C#CCO)c(C(=O)N2CCSC(C)(C)C2)c1 ZINC000159025577 197320205 /nfs/dbraw/zinc/32/02/05/197320205.db2.gz IONAWDRATCYWRW-UHFFFAOYSA-N 0 0 303.427 2.306 10 30 DEEERN Cc1ccc(C(=O)N2CCSC(C)(C)C2)cc1C#CCO ZINC000159024425 197320049 /nfs/dbraw/zinc/32/00/49/197320049.db2.gz AJJIWMGCWPIHBF-UHFFFAOYSA-N 0 0 303.427 2.306 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1 ZINC000158993374 197316871 /nfs/dbraw/zinc/31/68/71/197316871.db2.gz SGZPVVMIVXTXOO-FGTMMUONSA-N 0 0 316.360 2.061 10 30 DEEERN C=CCNC(=O)N1C[C@H](C(=O)OC)C[C@@H](c2ccccc2)C1 ZINC000158873163 197306914 /nfs/dbraw/zinc/30/69/14/197306914.db2.gz LPIWOQRYBQGMOB-HUUCEWRRSA-N 0 0 302.374 2.161 10 30 DEEERN Cc1cccc(S(=O)(=O)N[C@@H]2COc3ccccc32)c1C#N ZINC000156906367 197149357 /nfs/dbraw/zinc/14/93/57/197149357.db2.gz AYIMNLPKUQBGGY-CQSZACIVSA-N 0 0 314.366 2.279 10 30 DEEERN N#Cc1cccc(S(=O)(=O)CCN2CCC3(CCC3)C2)c1 ZINC000156847243 197144900 /nfs/dbraw/zinc/14/49/00/197144900.db2.gz VLJJAYJWOZEBGX-UHFFFAOYSA-N 0 0 304.415 2.208 10 30 DEEERN C[C@H](NC(=O)[C@@H]1CCCCS1)c1ccc(C#CCO)cc1 ZINC000156270521 197100246 /nfs/dbraw/zinc/10/02/46/197100246.db2.gz BEAJIMHUZYHOAO-BBRMVZONSA-N 0 0 303.427 2.493 10 30 DEEERN N#Cc1ncn(CC(=O)c2cccc(Br)c2)c1C#N ZINC000156222602 197096731 /nfs/dbraw/zinc/09/67/31/197096731.db2.gz RIYMMFXKWLJUGH-UHFFFAOYSA-N 0 0 315.130 2.272 10 30 DEEERN N#CCOc1ccc(CC(=O)N2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000120392179 195156623 /nfs/dbraw/zinc/15/66/23/195156623.db2.gz IZEIIRBSKVWPFU-RDJZCZTQSA-N 0 0 314.385 2.159 10 30 DEEERN N#Cc1cccc(C(=O)N2CC[C@@H](O)[C@H]2Cc2ccccc2)c1 ZINC000247693294 257117923 /nfs/dbraw/zinc/11/79/23/257117923.db2.gz XOLSAGUKVFYWGO-QZTJIDSGSA-N 0 0 306.365 2.376 10 30 DEEERN Cc1cc(N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c(C#N)cn1 ZINC000521395880 257240496 /nfs/dbraw/zinc/24/04/96/257240496.db2.gz XACIXLWXSOKLRE-KEYYUXOJSA-N 0 0 301.390 2.425 10 30 DEEERN CC(C)CN(CC(N)=O)c1cc(Br)ccc1C#N ZINC000123199066 195555333 /nfs/dbraw/zinc/55/53/33/195555333.db2.gz GDMCXOUXNJSCEY-UHFFFAOYSA-N 0 0 310.195 2.268 10 30 DEEERN N#Cc1cccc(S(=O)(=O)CCOCCC(F)(F)F)c1 ZINC000125474813 195754445 /nfs/dbraw/zinc/75/44/45/195754445.db2.gz QKWMQVADYZZVJM-UHFFFAOYSA-N 0 0 307.293 2.301 10 30 DEEERN COC(=O)CC1(NC(=O)c2ccccc2OCC#N)CCCC1 ZINC000193904443 533317283 /nfs/dbraw/zinc/31/72/83/533317283.db2.gz LOGBEKFKXQGTEF-UHFFFAOYSA-N 0 0 316.357 2.195 10 30 DEEERN COC(=O)[C@]12CCC[C@@H]1CN(c1snc(Cl)c1C#N)C2 ZINC000302136830 533639005 /nfs/dbraw/zinc/63/90/05/533639005.db2.gz DIJBIBHXLXAEEX-OQPBUACISA-N 0 0 311.794 2.448 10 30 DEEERN COC[C@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000284974872 285466323 /nfs/dbraw/zinc/46/63/23/285466323.db2.gz KUNHVMLBOGXAKN-GFCCVEGCSA-N 0 0 305.334 2.097 10 30 DEEERN COc1cc(C#N)ccc1OCC(=O)N[C@@H]1COc2ccccc21 ZINC000058728047 132490718 /nfs/dbraw/zinc/49/07/18/132490718.db2.gz XMUQAWUTAJEDSO-CQSZACIVSA-N 0 0 324.336 2.196 10 30 DEEERN CCc1ccc([C@@H]2COCCN2C(=O)c2cc(C#N)cn2C)o1 ZINC000177410574 132527244 /nfs/dbraw/zinc/52/72/44/132527244.db2.gz NKEOQGPOWPTBKQ-HNNXBMFYSA-N 0 0 313.357 2.266 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000359871154 133149973 /nfs/dbraw/zinc/14/99/73/133149973.db2.gz FMTPSQWXEOHRMJ-GUYCJALGSA-N 0 0 300.358 2.145 10 30 DEEERN C[C@@H](C(=O)Nc1cccnc1-c1ccccc1)n1cnc(C#N)n1 ZINC000360246357 133171163 /nfs/dbraw/zinc/17/11/63/133171163.db2.gz UPYDLFWWEFKHHH-LBPRGKRZSA-N 0 0 318.340 2.411 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1cccnc1-c1csc(C)c1 ZINC000364622329 404474512 /nfs/dbraw/zinc/47/45/12/404474512.db2.gz JLVOKGWUPDVBRI-UHFFFAOYSA-N 0 0 313.382 2.197 10 30 DEEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCc2ccccc2[C@H]1CO ZINC000328863285 296554646 /nfs/dbraw/zinc/55/46/46/296554646.db2.gz ZWPIPBGRGBRZAI-BRWVUGGUSA-N 0 0 316.401 2.060 10 30 DEEERN C[C@H]1CC(C(=O)NCCOc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000094082055 144617250 /nfs/dbraw/zinc/61/72/50/144617250.db2.gz ZMIKZFMCMOMSGZ-STQMWFEESA-N 0 0 302.374 2.257 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)C[C@H](O)c3ccccc3)C2)cc1 ZINC000130344424 144752801 /nfs/dbraw/zinc/75/28/01/144752801.db2.gz KVBUZPOMXDLUIX-SFHVURJKSA-N 0 0 322.364 2.272 10 30 DEEERN C[C@H]1SCCN(C(=O)NCCOc2ccc(C#N)cc2)[C@@H]1C ZINC000173792725 144849714 /nfs/dbraw/zinc/84/97/14/144849714.db2.gz YBZWSRSEKGBRHS-CHWSQXEVSA-N 0 0 319.430 2.472 10 30 DEEERN C[C@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)c1cccnc1 ZINC000183675145 144932772 /nfs/dbraw/zinc/93/27/72/144932772.db2.gz HRYYLFCJTQGXAD-LBPRGKRZSA-N 0 0 318.340 2.276 10 30 DEEERN Cc1ccnc(-n2nccc2NC(=O)c2ccnc(C#N)c2)c1 ZINC000193583381 145087288 /nfs/dbraw/zinc/08/72/88/145087288.db2.gz ZCDNUNQAPKSAQL-UHFFFAOYSA-N 0 0 304.313 2.095 10 30 DEEERN N#Cc1cc(C(=O)NCc2ncc(-c3ccccc3)cn2)ccn1 ZINC000193822986 145090319 /nfs/dbraw/zinc/09/03/19/145090319.db2.gz SOXSYKZRRQPSSX-UHFFFAOYSA-N 0 0 315.336 2.340 10 30 DEEERN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000247038348 145124579 /nfs/dbraw/zinc/12/45/79/145124579.db2.gz NWGOWNKIXCMEKS-DZGCQCFKSA-N 0 0 323.400 2.108 10 30 DEEERN CC(C)C[C@@H](C)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000248398944 145153535 /nfs/dbraw/zinc/15/35/35/145153535.db2.gz UWSPOBWIDHKPOM-KGLIPLIRSA-N 0 0 315.421 2.068 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(C#N)ccc1F ZINC000248802884 145168197 /nfs/dbraw/zinc/16/81/97/145168197.db2.gz GJHBKGCFQSHLOO-NOLJZWGESA-N 0 0 302.349 2.471 10 30 DEEERN CC(=O)c1ccc(C#N)c(N2CCO[C@]3(CCSC3)C2)c1 ZINC000565301993 292153890 /nfs/dbraw/zinc/15/38/90/292153890.db2.gz JURYYJVTSIJJJE-MRXNPFEDSA-N 0 0 302.399 2.473 10 30 DEEERN CCOCc1nc([C@H](C)NC(=O)c2ccc(C#N)s2)no1 ZINC000358391560 147124760 /nfs/dbraw/zinc/12/47/60/147124760.db2.gz WMWIXYRVRBJMDE-QMMMGPOBSA-N 0 0 306.347 2.030 10 30 DEEERN N#Cc1ccc(N[C@H]2CCN(C3CCOCC3)C2=O)cc1Cl ZINC000371825836 148145311 /nfs/dbraw/zinc/14/53/11/148145311.db2.gz ZRKJQGLWESOJBM-HNNXBMFYSA-N 0 0 319.792 2.403 10 30 DEEERN COC1(c2ccccc2)CN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000375576031 148387805 /nfs/dbraw/zinc/38/78/05/148387805.db2.gz DWLZPPCOHMTLGR-GOSISDBHSA-N 0 0 308.381 2.449 10 30 DEEERN CC[C@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@H]1O ZINC000408452559 148607238 /nfs/dbraw/zinc/60/72/38/148607238.db2.gz NHJDTQOXEZKLSZ-JOYOIKCWSA-N 0 0 323.190 2.164 10 30 DEEERN N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000111922695 401728190 /nfs/dbraw/zinc/72/81/90/401728190.db2.gz FXGGTNKUQCGXRS-WBVHZDCISA-N 0 0 319.364 2.417 10 30 DEEERN N#Cc1ccc([C@@H](O)CN2CCO[C@H](c3nccs3)C2)cc1 ZINC000127377220 401731838 /nfs/dbraw/zinc/73/18/38/401731838.db2.gz ZRUZBKGOKMUKPR-GJZGRUSLSA-N 0 0 315.398 2.122 10 30 DEEERN C=CCNC(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000112386934 401742800 /nfs/dbraw/zinc/74/28/00/401742800.db2.gz DQMHVVPKMYNGMT-UHFFFAOYSA-N 0 0 300.362 2.154 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N(CC)CCC#N ZINC000077222968 401806792 /nfs/dbraw/zinc/80/67/92/401806792.db2.gz KWSJNSXJFVKGIX-UHFFFAOYSA-N 0 0 317.345 2.464 10 30 DEEERN CCc1nccn1[C@H]1CCCN(S(=O)(=O)CCCCC#N)C1 ZINC000128498571 401779567 /nfs/dbraw/zinc/77/95/67/401779567.db2.gz SBAHJZPUGNKTRS-AWEZNQCLSA-N 0 0 324.450 2.106 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000128522491 401780659 /nfs/dbraw/zinc/78/06/59/401780659.db2.gz WFMIJKIJXWCBBX-LBPRGKRZSA-N 0 0 307.419 2.067 10 30 DEEERN C#CCOc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000128626774 401785537 /nfs/dbraw/zinc/78/55/37/401785537.db2.gz ZCTCYKFAVRZTCN-KRWDZBQOSA-N 0 0 310.401 2.202 10 30 DEEERN CO[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000076389162 401793795 /nfs/dbraw/zinc/79/37/95/401793795.db2.gz BDCKVJKEHNQJRC-LLVKDONJSA-N 0 0 314.794 2.011 10 30 DEEERN C=CCCCN(C)C(=O)[C@H](Cc1ccccc1)n1nnnc1C ZINC000076489896 401796671 /nfs/dbraw/zinc/79/66/71/401796671.db2.gz SCVJLXKXHITLSU-INIZCTEOSA-N 0 0 313.405 2.190 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)NCCCCSC)c1 ZINC000077780283 401831001 /nfs/dbraw/zinc/83/10/01/401831001.db2.gz DTNKJAUZCYWXHD-UHFFFAOYSA-N 0 0 322.430 2.449 10 30 DEEERN C=CCCCN(C)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000078122483 401841359 /nfs/dbraw/zinc/84/13/59/401841359.db2.gz TXSAKWOZXMLKBV-QGZVFWFLSA-N 0 0 302.418 2.312 10 30 DEEERN CC(C)N(C(=O)COc1ccccc1C#N)C1CCOCC1 ZINC000078181638 401843175 /nfs/dbraw/zinc/84/31/75/401843175.db2.gz UTVPEFPRLOSUAU-UHFFFAOYSA-N 0 0 302.374 2.353 10 30 DEEERN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000078263811 401844872 /nfs/dbraw/zinc/84/48/72/401844872.db2.gz AHCBKUGLJLKWDG-UHFFFAOYSA-N 0 0 316.382 2.167 10 30 DEEERN N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116453499 401853265 /nfs/dbraw/zinc/85/32/65/401853265.db2.gz DUUPGPIARUXMRJ-HNNXBMFYSA-N 0 0 323.352 2.245 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NCCCNc1ccccn1 ZINC000118724681 401905205 /nfs/dbraw/zinc/90/52/05/401905205.db2.gz YNSWJQVYNPOKAO-AWEZNQCLSA-N 0 0 324.384 2.339 10 30 DEEERN CCc1nc(CNC(=O)Nc2ccn(CCC#N)n2)cs1 ZINC000118894260 401914217 /nfs/dbraw/zinc/91/42/17/401914217.db2.gz XIJQIZQRNOJKOP-UHFFFAOYSA-N 0 0 304.379 2.137 10 30 DEEERN C=C(C)C(=O)OCCC[C@H](COC(=O)C(=C)C)OC(=O)C(=C)C ZINC000039363499 401923750 /nfs/dbraw/zinc/92/37/50/401923750.db2.gz URUBKUWOUQPJQL-CQSZACIVSA-N 0 0 324.373 2.493 10 30 DEEERN C=CCNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1C[C@@H]1C ZINC000045479946 401958163 /nfs/dbraw/zinc/95/81/63/401958163.db2.gz RRPZKXDWJJVDPZ-QWRGUYRKSA-N 0 0 318.373 2.214 10 30 DEEERN C#CCSCCNC(=O)N(C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000136372196 401967050 /nfs/dbraw/zinc/96/70/50/401967050.db2.gz QRJJUSZSTUENAA-CZUORRHYSA-N 0 0 318.442 2.386 10 30 DEEERN CC(C)[C@@H]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000135445366 401939611 /nfs/dbraw/zinc/93/96/11/401939611.db2.gz ZCGVEAFANOWTLU-OAHLLOKOSA-N 0 0 306.431 2.310 10 30 DEEERN COC(=O)[C@H](C)CN(C(=O)c1ccc(C#N)cc1C)C1CC1 ZINC000119314808 401940593 /nfs/dbraw/zinc/94/05/93/401940593.db2.gz WLDQPRCHZIYRQY-GFCCVEGCSA-N 0 0 300.358 2.280 10 30 DEEERN N#Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000151822569 402059121 /nfs/dbraw/zinc/05/91/21/402059121.db2.gz SLPSMEQISQDHNR-UONOGXRCSA-N 0 0 324.377 2.029 10 30 DEEERN C[C@@H]1CC(C(=O)NCCOc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000094082056 402022709 /nfs/dbraw/zinc/02/27/09/402022709.db2.gz ZMIKZFMCMOMSGZ-CHWSQXEVSA-N 0 0 302.374 2.257 10 30 DEEERN Cc1cccc(S(=O)(=O)N2CC[C@@H]3OCCC[C@@H]3C2)c1C#N ZINC000151318409 402029772 /nfs/dbraw/zinc/02/97/72/402029772.db2.gz PNMHEEPJHITGCM-HIFRSBDPSA-N 0 0 320.414 2.056 10 30 DEEERN NC(=S)N/N=C\c1cc(Br)ccc1OC(F)F ZINC000095938734 402034642 /nfs/dbraw/zinc/03/46/42/402034642.db2.gz RVKZNRKHQIRQBE-CPSFFCFKSA-N 0 0 324.150 2.218 10 30 DEEERN C=CCSCCNC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000151527298 402041721 /nfs/dbraw/zinc/04/17/21/402041721.db2.gz BCWNJNSEYDVFSI-UHFFFAOYSA-N 0 0 322.356 2.157 10 30 DEEERN Cc1ccn(-c2ccccc2CNC(=O)C2(C#N)CCOCC2)n1 ZINC000152004558 402070597 /nfs/dbraw/zinc/07/05/97/402070597.db2.gz DXPCPCSNPKDXRC-UHFFFAOYSA-N 0 0 324.384 2.117 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C)nn1C ZINC000062897212 402111067 /nfs/dbraw/zinc/11/10/67/402111067.db2.gz MTDWKWNFCYUKJU-UHFFFAOYSA-N 0 0 314.345 2.465 10 30 DEEERN C=CCOc1ccc(C(=O)Nc2cnn(-c3ncccn3)c2)cc1 ZINC000151861643 402061677 /nfs/dbraw/zinc/06/16/77/402061677.db2.gz JFVABPGZEPMSGC-UHFFFAOYSA-N 0 0 321.340 2.479 10 30 DEEERN C=CCc1cc(C(=O)N[C@@H](C)[C@@H](C)CO)cc(OC)c1OC ZINC000151892144 402063526 /nfs/dbraw/zinc/06/35/26/402063526.db2.gz BKSIAPXYUIUNIN-RYUDHWBXSA-N 0 0 307.390 2.179 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NCC1(O)CCCCC1 ZINC000153123928 402128393 /nfs/dbraw/zinc/12/83/93/402128393.db2.gz YHYHBKGLJOWDBO-ZDUSSCGKSA-N 0 0 302.374 2.137 10 30 DEEERN C=CCCOCCNC(=O)N[C@H](CC)c1c(C)nn(C)c1C ZINC000124906334 402203461 /nfs/dbraw/zinc/20/34/61/402203461.db2.gz WEAHJSLMWNYRGK-CQSZACIVSA-N 0 0 308.426 2.380 10 30 DEEERN COc1cc(/C=C/C(=O)c2cnn(C)c2)cc2c1OCCO2 ZINC000068395655 402196675 /nfs/dbraw/zinc/19/66/75/402196675.db2.gz FSBAWGHYXPIKJB-ONEGZZNKSA-N 0 0 300.314 2.096 10 30 DEEERN CCC[C@H](NC(=O)c1cc(C#N)cn1C)C(=O)OC(C)(C)C ZINC000154209750 402199031 /nfs/dbraw/zinc/19/90/31/402199031.db2.gz KMDIBMQFWGOYND-LBPRGKRZSA-N 0 0 305.378 2.137 10 30 DEEERN CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1CCCCO1 ZINC000106866395 402218528 /nfs/dbraw/zinc/21/85/28/402218528.db2.gz VESLOKGRHZMHAV-RDJZCZTQSA-N 0 0 307.438 2.076 10 30 DEEERN CN(CC(=O)NC(C)(C)C)C(=O)Nc1ccc(CC#N)cc1 ZINC000125310916 402224586 /nfs/dbraw/zinc/22/45/86/402224586.db2.gz WLTBTYSFSMCLMR-UHFFFAOYSA-N 0 0 302.378 2.131 10 30 DEEERN C=CCN(CC=C)C(=O)CN1CCO[C@@H](c2ccsc2)C1 ZINC000125421208 402231379 /nfs/dbraw/zinc/23/13/79/402231379.db2.gz NLSHIHSVOKSQCE-OAHLLOKOSA-N 0 0 306.431 2.322 10 30 DEEERN C=CCNC(=O)Nc1ccc(NC(=O)C[C@@H](O)C(C)C)cc1 ZINC000154824222 402234623 /nfs/dbraw/zinc/23/46/23/402234623.db2.gz PYOWQNOSECTZEP-CQSZACIVSA-N 0 0 305.378 2.340 10 30 DEEERN Cn1cc(-c2ncc(C(=O)N(CCC#N)CC3CC3)s2)cn1 ZINC000069702694 402239747 /nfs/dbraw/zinc/23/97/47/402239747.db2.gz QJESMHGYCQXIIY-UHFFFAOYSA-N 0 0 315.402 2.309 10 30 DEEERN CCc1nc2n(n1)C[C@H](Nc1snc(Cl)c1C#N)CC2 ZINC000108948452 402264968 /nfs/dbraw/zinc/26/49/68/402264968.db2.gz ARAXNMOAGOKUCB-SSDOTTSWSA-N 0 0 308.798 2.249 10 30 DEEERN N#Cc1cccc(CS(=O)(=O)N[C@H]2COc3ccccc32)c1 ZINC000108399421 402252419 /nfs/dbraw/zinc/25/24/19/402252419.db2.gz YKAXZCKMNBGXIB-HNNXBMFYSA-N 0 0 314.366 2.111 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000184574905 402278370 /nfs/dbraw/zinc/27/83/70/402278370.db2.gz WCSNLZONTKOWSV-ZDUSSCGKSA-N 0 0 303.362 2.404 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@H](O)c1cc(OC)cc(OC)c1 ZINC000184589531 402279636 /nfs/dbraw/zinc/27/96/36/402279636.db2.gz STJCXIDOJVXEKE-LRDDRELGSA-N 0 0 307.390 2.456 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(-c2nccn2C)c1 ZINC000184906045 402308630 /nfs/dbraw/zinc/30/86/30/402308630.db2.gz HZOVZNKUUZTRFW-AWEZNQCLSA-N 0 0 300.362 2.146 10 30 DEEERN CN(C)C(=O)[C@H]1CCCN1Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000158729808 402310869 /nfs/dbraw/zinc/31/08/69/402310869.db2.gz VWUDAFDQNMDLSU-OAHLLOKOSA-N 0 0 324.384 2.266 10 30 DEEERN C=CCCCN(C)C(=O)NCc1ccccc1CS(C)(=O)=O ZINC000176530653 402317767 /nfs/dbraw/zinc/31/77/67/402317767.db2.gz FUNSJPBKTNVQDA-UHFFFAOYSA-N 0 0 324.446 2.339 10 30 DEEERN COC1(C(=O)NCCOc2ccc(C#N)cc2)CCCCC1 ZINC000185525785 402359054 /nfs/dbraw/zinc/35/90/54/402359054.db2.gz CPDHYRDJFNPSSP-UHFFFAOYSA-N 0 0 302.374 2.403 10 30 DEEERN C=CCOCCCC(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000161040122 402370288 /nfs/dbraw/zinc/37/02/88/402370288.db2.gz TYKDVIKZOZGQLS-OAHLLOKOSA-N 0 0 318.417 2.373 10 30 DEEERN C=CC[C@@H](CO)NC(=O)COc1cc(Cl)ccc1Cl ZINC000185715741 402371437 /nfs/dbraw/zinc/37/14/37/402371437.db2.gz PYQMBOFRTLUHEJ-JTQLQIEISA-N 0 0 304.173 2.425 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(-n2nc(C)cc2C)c(F)c1 ZINC000185780068 402376443 /nfs/dbraw/zinc/37/64/43/402376443.db2.gz DNNAQURIAKDYCL-CQSZACIVSA-N 0 0 317.364 2.295 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(OCc2ccccc2)nc1 ZINC000185911949 402388893 /nfs/dbraw/zinc/38/88/93/402388893.db2.gz YUDSNHWLTOQSRO-MRXNPFEDSA-N 0 0 312.369 2.327 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)OCC(F)(F)F)C2)cc1 ZINC000185913222 402388927 /nfs/dbraw/zinc/38/89/27/402388927.db2.gz RONCWCZHIBEBRY-UHFFFAOYSA-N 0 0 300.236 2.320 10 30 DEEERN C=C(C)COCCNC(=O)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000161294142 402381642 /nfs/dbraw/zinc/38/16/42/402381642.db2.gz GNAJXSALAXQDIN-CYBMUJFWSA-N 0 0 320.389 2.041 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000185860475 402383497 /nfs/dbraw/zinc/38/34/97/402383497.db2.gz HAWPTIHDAPVSCK-LBPRGKRZSA-N 0 0 305.765 2.397 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000185873735 402384860 /nfs/dbraw/zinc/38/48/60/402384860.db2.gz OGZOUHZALMUTBF-IAGOWNOFSA-N 0 0 320.408 2.233 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cnc2onc(CC)c2c1 ZINC000186191076 402409168 /nfs/dbraw/zinc/40/91/68/402409168.db2.gz GLIBRZAJEMMGQQ-UHFFFAOYSA-N 0 0 309.391 2.372 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000162911352 402436127 /nfs/dbraw/zinc/43/61/27/402436127.db2.gz KBXWLZMVKCZSLY-CQSZACIVSA-N 0 0 319.380 2.144 10 30 DEEERN N#Cc1cc(F)ccc1NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000177922001 402444434 /nfs/dbraw/zinc/44/44/34/402444434.db2.gz DYLDTZXVLKEGHJ-CYBMUJFWSA-N 0 0 314.324 2.158 10 30 DEEERN C=CC[C@H](CO)NC(=O)C1(c2ccc(C)cc2)CCOCC1 ZINC000185944401 402391410 /nfs/dbraw/zinc/39/14/10/402391410.db2.gz JPDDJIULNXDBME-MRXNPFEDSA-N 0 0 303.402 2.096 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCCC(=O)Nc1ccncc1 ZINC000164276473 402460898 /nfs/dbraw/zinc/46/08/98/402460898.db2.gz OVTCVYLSDINJNR-UHFFFAOYSA-N 0 0 308.341 2.020 10 30 DEEERN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)CC1(C#N)CC1)[C@H](C)C2 ZINC000166376891 402484421 /nfs/dbraw/zinc/48/44/21/402484421.db2.gz OPYGYBVWXHSNAA-DOMZBBRYSA-N 0 0 304.415 2.452 10 30 DEEERN C=CCCS(=O)(=O)NC1CCN(c2ccccc2OC)CC1 ZINC000178321156 402484474 /nfs/dbraw/zinc/48/44/74/402484474.db2.gz MXEUQVQHPHEWMB-UHFFFAOYSA-N 0 0 324.446 2.160 10 30 DEEERN C[C@H](NS(=O)(=O)CCCCC#N)[C@H]1COc2ccccc21 ZINC000167598025 402492237 /nfs/dbraw/zinc/49/22/37/402492237.db2.gz OQTJMHYWJSOQJY-GXTWGEPZSA-N 0 0 308.403 2.164 10 30 DEEERN COc1cc(C#N)ccc1CN1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000245867494 402492358 /nfs/dbraw/zinc/49/23/58/402492358.db2.gz GISNPHBLEBRLDB-GVDBMIGSSA-N 0 0 316.401 2.335 10 30 DEEERN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)C1CCCC1 ZINC000178859672 402547932 /nfs/dbraw/zinc/54/79/32/402547932.db2.gz JXBJGLKJCVNONG-SNVBAGLBSA-N 0 0 303.337 2.331 10 30 DEEERN C=CC[C@H](C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000189893511 402564890 /nfs/dbraw/zinc/56/48/90/402564890.db2.gz PJXRPWSMUYBAFV-NUJGCVRESA-N 0 0 316.445 2.260 10 30 DEEERN Cc1nc(C[C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)no1 ZINC000171245948 402570443 /nfs/dbraw/zinc/57/04/43/402570443.db2.gz DXIMQZMTLQFYIS-CQSZACIVSA-N 0 0 310.357 2.345 10 30 DEEERN COc1cccc([C@@H]2CN(C(=O)NCCCCC#N)CCO2)c1 ZINC000178686264 402526494 /nfs/dbraw/zinc/52/64/94/402526494.db2.gz DVEAFSZCTKGEFR-INIZCTEOSA-N 0 0 317.389 2.472 10 30 DEEERN COCCOc1ccc(C#N)cc1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000190198622 402583505 /nfs/dbraw/zinc/58/35/05/402583505.db2.gz SBWGWRYUPAKKEW-OCCSQVGLSA-N 0 0 318.373 2.337 10 30 DEEERN C#CCCCCC(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000179672837 402597720 /nfs/dbraw/zinc/59/77/20/402597720.db2.gz HTBADAWCXICMKA-UHFFFAOYSA-N 0 0 317.389 2.354 10 30 DEEERN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000248865590 402611847 /nfs/dbraw/zinc/61/18/47/402611847.db2.gz AWENHGNKRDOVQN-BBRMVZONSA-N 0 0 322.430 2.277 10 30 DEEERN Cc1cccc(N2C[C@H](C(=O)N[C@H](C#N)C3CC3)CC2=O)c1C ZINC000171723776 402614864 /nfs/dbraw/zinc/61/48/64/402614864.db2.gz VPXZRUMEJDJQIJ-HUUCEWRRSA-N 0 0 311.385 2.075 10 30 DEEERN Cc1cccc(N2C[C@H](C(=O)N[C@@H](C#N)C3CC3)CC2=O)c1C ZINC000171723767 402615080 /nfs/dbraw/zinc/61/50/80/402615080.db2.gz VPXZRUMEJDJQIJ-CABCVRRESA-N 0 0 311.385 2.075 10 30 DEEERN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@H](C#N)C2CC2)c1 ZINC000249109679 402620777 /nfs/dbraw/zinc/62/07/77/402620777.db2.gz XRXIXCDURLJRQT-NWANDNLSSA-N 0 0 300.358 2.226 10 30 DEEERN N#Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)nc1 ZINC000171865317 402629702 /nfs/dbraw/zinc/62/97/02/402629702.db2.gz VECFPSYKKQEALR-HNNXBMFYSA-N 0 0 320.352 2.197 10 30 DEEERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC000181319395 402641016 /nfs/dbraw/zinc/64/10/16/402641016.db2.gz HSEAQHVAKAATAG-ZDUSSCGKSA-N 0 0 318.377 2.016 10 30 DEEERN C=CCCC[C@H](C)NC(=O)NC1CCN(c2ncccn2)CC1 ZINC000181375904 402643367 /nfs/dbraw/zinc/64/33/67/402643367.db2.gz AZOBSPQUMZHYPG-AWEZNQCLSA-N 0 0 317.437 2.489 10 30 DEEERN CN1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1=O ZINC000191136955 402644786 /nfs/dbraw/zinc/64/47/86/402644786.db2.gz NOGNKHODTUKOEB-UHFFFAOYSA-N 0 0 310.319 2.221 10 30 DEEERN O=S(=O)(OCC(F)(F)F)c1ccc(C(F)(F)F)nc1 ZINC000181852538 402658758 /nfs/dbraw/zinc/65/87/58/402658758.db2.gz XJNDCRVBZDVNCT-UHFFFAOYSA-N 0 0 309.187 2.368 10 30 DEEERN N#Cc1cccc(NC(=O)CN2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000252644052 402659628 /nfs/dbraw/zinc/65/96/28/402659628.db2.gz NIQYXANCPDYWRN-YJBOKZPZSA-N 0 0 313.401 2.124 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)CC(C)(C)C ZINC000172301557 402649040 /nfs/dbraw/zinc/64/90/40/402649040.db2.gz YCFVXCCQDJLYSV-OCCSQVGLSA-N 0 0 304.390 2.239 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)CC(C)(C)C ZINC000172301546 402649043 /nfs/dbraw/zinc/64/90/43/402649043.db2.gz YCFVXCCQDJLYSV-GXTWGEPZSA-N 0 0 304.390 2.239 10 30 DEEERN N#CC1(NC(=O)c2cnn(CCC(F)(F)F)c2)CCCC1 ZINC000181640353 402652701 /nfs/dbraw/zinc/65/27/01/402652701.db2.gz TWGBCPRZSLIJAH-UHFFFAOYSA-N 0 0 300.284 2.402 10 30 DEEERN COC(=O)C(C)(C)CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181776537 402656832 /nfs/dbraw/zinc/65/68/32/402656832.db2.gz OHWBPJDKLQOXFP-UHFFFAOYSA-N 0 0 300.358 2.171 10 30 DEEERN Cc1csc([C@H]2CCCN(S(=O)(=O)CCCC#N)C2)n1 ZINC000173721289 402710159 /nfs/dbraw/zinc/71/01/59/402710159.db2.gz OJKJDSLLOWMNDS-LBPRGKRZSA-N 0 0 313.448 2.265 10 30 DEEERN N#CC1(c2ccc(C(=O)N3CCC[C@H]3C(=O)NC3CC3)cc2)CC1 ZINC000182753628 402713980 /nfs/dbraw/zinc/71/39/80/402713980.db2.gz WRYMXDNTMDEOAT-INIZCTEOSA-N 0 0 323.396 2.125 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000182809119 402717916 /nfs/dbraw/zinc/71/79/16/402717916.db2.gz XJXSBBMPSDHJQG-VXGBXAGGSA-N 0 0 308.378 2.001 10 30 DEEERN C#CCCCCC(=O)Nc1cccc2c1CCN2C(=O)COC ZINC000182066716 402666364 /nfs/dbraw/zinc/66/63/64/402666364.db2.gz UAHIQMMMHKWRFB-UHFFFAOYSA-N 0 0 314.385 2.354 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)NCCc1ccsc1 ZINC000172672655 402669427 /nfs/dbraw/zinc/66/94/27/402669427.db2.gz ZQOZDPNNIWYQPN-UHFFFAOYSA-N 0 0 306.412 2.449 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1COc2ccccc21 ZINC000172674219 402669626 /nfs/dbraw/zinc/66/96/26/402669626.db2.gz GQAJWAUQDTXALQ-AWEZNQCLSA-N 0 0 314.366 2.279 10 30 DEEERN COc1cc(C=Nn2cnnc2SC)ccc1OC(F)F ZINC000254348358 402670752 /nfs/dbraw/zinc/67/07/52/402670752.db2.gz DUJXUTBFEJCUTA-UHFFFAOYSA-N 0 0 314.317 2.492 10 30 DEEERN CCn1cc([C@@H]2CN(Cc3ccc(C#N)s3)CCO2)cn1 ZINC000191714649 402687841 /nfs/dbraw/zinc/68/78/41/402687841.db2.gz FSNKLWKTKKVROR-HNNXBMFYSA-N 0 0 302.403 2.410 10 30 DEEERN CCn1cc([C@@H]2CN(C(=O)c3cc(C#N)cs3)CCO2)cn1 ZINC000191764248 402690609 /nfs/dbraw/zinc/69/06/09/402690609.db2.gz IVWZRDUUIAQEQF-ZDUSSCGKSA-N 0 0 316.386 2.050 10 30 DEEERN COc1ccc(CN[C@H](C)c2nnc3n2CCCC3)cc1C#N ZINC000173361011 402693899 /nfs/dbraw/zinc/69/38/99/402693899.db2.gz DBJDVUCIAKUXGK-GFCCVEGCSA-N 0 0 311.389 2.345 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCC[C@@H](C)c1ccc(OC)cc1 ZINC000183599236 402780177 /nfs/dbraw/zinc/78/01/77/402780177.db2.gz OPEAAEWCLFZNIK-UKRRQHHQSA-N 0 0 306.406 2.425 10 30 DEEERN N#Cc1ccccc1N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000193968533 402780461 /nfs/dbraw/zinc/78/04/61/402780461.db2.gz SNWZJBJROYIUOS-UHFFFAOYSA-N 0 0 305.381 2.450 10 30 DEEERN C#CCCCNC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000183122903 402741400 /nfs/dbraw/zinc/74/14/00/402741400.db2.gz HRYFCMZFUWDNRJ-CQSZACIVSA-N 0 0 315.421 2.264 10 30 DEEERN Cc1nc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1C#N ZINC000174952260 402766015 /nfs/dbraw/zinc/76/60/15/402766015.db2.gz VJRAIOWDTLASBP-ZDUSSCGKSA-N 0 0 315.373 2.066 10 30 DEEERN N#Cc1cc(C(=O)N2CCSC[C@H]2c2nccs2)ccn1 ZINC000193858250 402777068 /nfs/dbraw/zinc/77/70/68/402777068.db2.gz ANEGPSLKUZRIRW-LBPRGKRZSA-N 0 0 316.411 2.340 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000183736740 402793496 /nfs/dbraw/zinc/79/34/96/402793496.db2.gz GFHZDHGBJIOYCT-UONOGXRCSA-N 0 0 314.389 2.170 10 30 DEEERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1cc(C#N)cs1 ZINC000175345657 402798964 /nfs/dbraw/zinc/79/89/64/402798964.db2.gz YCLOCZDYDYYCFN-ZDUSSCGKSA-N 0 0 300.387 2.430 10 30 DEEERN N#CC1(C(=O)NCc2ncc(-c3ccccc3)cn2)CCOCC1 ZINC000183886120 402803511 /nfs/dbraw/zinc/80/35/11/402803511.db2.gz FCZZXMONAIGIDV-UHFFFAOYSA-N 0 0 322.368 2.080 10 30 DEEERN N#Cc1cccc(S(=O)(=O)NCCc2cc(F)ccc2F)c1 ZINC000175404395 402803768 /nfs/dbraw/zinc/80/37/68/402803768.db2.gz PUESKDXNCHMCGV-UHFFFAOYSA-N 0 0 322.336 2.357 10 30 DEEERN N#Cc1csc(C(=O)N2CCN(c3cccs3)C(=O)C2)c1 ZINC000184087263 402817285 /nfs/dbraw/zinc/81/72/85/402817285.db2.gz SQIIICYTWRHSEC-UHFFFAOYSA-N 0 0 317.395 2.170 10 30 DEEERN COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCOC[C@@H]1C ZINC000194856845 402818695 /nfs/dbraw/zinc/81/86/95/402818695.db2.gz MGBVSRPCCVNBKX-GXTWGEPZSA-N 0 0 318.373 2.195 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CNC(=O)C1CCCCC1 ZINC000265243485 402904366 /nfs/dbraw/zinc/90/43/66/402904366.db2.gz HHXSRFLUXQKRHC-UHFFFAOYSA-N 0 0 306.328 2.260 10 30 DEEERN C#CCC(CC#C)C(=O)NC(C)(C)c1cn(-c2ccccc2)nn1 ZINC000278415745 402865368 /nfs/dbraw/zinc/86/53/68/402865368.db2.gz QEIRVUZWLKHCGH-UHFFFAOYSA-N 0 0 320.396 2.281 10 30 DEEERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1cc(C#N)c[nH]1)CCCC2 ZINC000279196493 402914990 /nfs/dbraw/zinc/91/49/90/402914990.db2.gz MBVBPIFUOIPWNH-INIZCTEOSA-N 0 0 323.400 2.476 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cccc(OCC(F)(F)F)c1 ZINC000273609109 403019518 /nfs/dbraw/zinc/01/95/18/403019518.db2.gz VDVUYFCYYZMNBW-NSHDSACASA-N 0 0 303.280 2.295 10 30 DEEERN C=CC[C@H](CC)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000280966925 403055118 /nfs/dbraw/zinc/05/51/18/403055118.db2.gz KNLSMOHKTZDYHP-UONOGXRCSA-N 0 0 303.410 2.099 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCCCCC(=O)OC ZINC000281321788 403064758 /nfs/dbraw/zinc/06/47/58/403064758.db2.gz IWLSEDKRMDLXOH-DZGCQCFKSA-N 0 0 312.410 2.000 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000281344245 403066564 /nfs/dbraw/zinc/06/65/64/403066564.db2.gz MEDXOZRSWOCOQR-RRFJBIMHSA-N 0 0 322.405 2.468 10 30 DEEERN CN(Cc1ncccn1)[C@@H]1CCN(c2cccc(F)c2C#N)C1 ZINC000275682839 403115520 /nfs/dbraw/zinc/11/55/20/403115520.db2.gz MCWQVVSTMOGZQT-CYBMUJFWSA-N 0 0 311.364 2.198 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccsc1Br ZINC000282885197 403163209 /nfs/dbraw/zinc/16/32/09/403163209.db2.gz WYGJJMXFDZKMPT-VIFPVBQESA-N 0 0 319.224 2.247 10 30 DEEERN C#C[C@H](NC(=O)NCc1c(OC)cc(OC)cc1OC)C(C)C ZINC000282372188 403147381 /nfs/dbraw/zinc/14/73/81/403147381.db2.gz WWJMMBFTWXPLFB-AWEZNQCLSA-N 0 0 320.389 2.169 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@H](C)C1 ZINC000283491910 403201128 /nfs/dbraw/zinc/20/11/28/403201128.db2.gz CZBXMZCRASHNKR-KBPBESRZSA-N 0 0 306.410 2.178 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(-n2nc(C)cc2C)nc1 ZINC000277436037 403217496 /nfs/dbraw/zinc/21/74/96/403217496.db2.gz NHNSXFBAEIMKOR-UHFFFAOYSA-N 0 0 306.369 2.485 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N(C)C[C@H](C)CC ZINC000283254509 403184306 /nfs/dbraw/zinc/18/43/06/403184306.db2.gz LSSRSJAQGWZNCL-ZIAGYGMSSA-N 0 0 308.426 2.424 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)OCc1ccc(S(C)(=O)=O)cc1 ZINC000284062945 403242348 /nfs/dbraw/zinc/24/23/48/403242348.db2.gz KFFIMHLYXARCCK-HUUCEWRRSA-N 0 0 324.398 2.115 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)C[C@H]1CCCCO1 ZINC000285280442 403280395 /nfs/dbraw/zinc/28/03/95/403280395.db2.gz JISPSJGKKJBWAY-DLBZAZTESA-N 0 0 321.442 2.110 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N(C)CCOc1ccc(C)cc1 ZINC000297934456 403289305 /nfs/dbraw/zinc/28/93/05/403289305.db2.gz SPESOETVMODUSC-UHFFFAOYSA-N 0 0 318.417 2.257 10 30 DEEERN C=CCN(CCC#N)C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000292275671 403341392 /nfs/dbraw/zinc/34/13/92/403341392.db2.gz HEUIEGJQAKNASA-HNNXBMFYSA-N 0 0 311.385 2.276 10 30 DEEERN C=CCOc1ccc(CNC(=O)NCC[C@H](C)[S@@](C)=O)cc1 ZINC000345611860 403404479 /nfs/dbraw/zinc/40/44/79/403404479.db2.gz YROROJZCLADOPO-WHEQGISXSA-N 0 0 324.446 2.208 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCOC1 ZINC000287054922 403552652 /nfs/dbraw/zinc/55/26/52/403552652.db2.gz WUKFFZRAPOPKNJ-SJORKVTESA-N 0 0 300.402 2.347 10 30 DEEERN CO[C@@H]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(C#N)cc1 ZINC000287065859 403553618 /nfs/dbraw/zinc/55/36/18/403553618.db2.gz WBKBRKHUEUOIDB-GVDBMIGSSA-N 0 0 314.385 2.214 10 30 DEEERN C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000346366140 403586706 /nfs/dbraw/zinc/58/67/06/403586706.db2.gz HLZVDCFFZHDNHZ-KSSFIOAISA-N 0 0 318.417 2.107 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCCC(=O)NCC ZINC000287430069 403597101 /nfs/dbraw/zinc/59/71/01/403597101.db2.gz UOONRDPQURZYOH-INIZCTEOSA-N 0 0 300.402 2.044 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1sc([C@@H]2CCCOC2)nc1C ZINC000346673491 403598547 /nfs/dbraw/zinc/59/85/47/403598547.db2.gz UPOFCELVYUCICV-VXGBXAGGSA-N 0 0 310.419 2.012 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cc(C)nc(NC)n1 ZINC000287444407 403601120 /nfs/dbraw/zinc/60/11/20/403601120.db2.gz RGPLYPWCZLNKHO-OAHLLOKOSA-N 0 0 308.385 2.191 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000346783625 403601492 /nfs/dbraw/zinc/60/14/92/403601492.db2.gz QWCWKYJHMCDNLJ-KGLIPLIRSA-N 0 0 310.438 2.119 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000346196610 403578623 /nfs/dbraw/zinc/57/86/23/403578623.db2.gz XXYCCKQTYHMEKI-PONJGIIJSA-N 0 0 321.442 2.364 10 30 DEEERN C=CC[C@@H](CO)Nc1ccc(C(=O)N2CCC(C)CC2)cn1 ZINC000302117143 403708164 /nfs/dbraw/zinc/70/81/64/403708164.db2.gz DGODUSOKWAXFLB-HNNXBMFYSA-N 0 0 303.406 2.303 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1cccc(OCCCOC)c1 ZINC000287795956 403668368 /nfs/dbraw/zinc/66/83/68/403668368.db2.gz TYMOLCZFOGENJQ-UHFFFAOYSA-N 0 0 313.397 2.381 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCN([C@H](C)c2nccs2)CC1 ZINC000287801517 403670273 /nfs/dbraw/zinc/67/02/73/403670273.db2.gz JACIATQNVLKPTF-CQSZACIVSA-N 0 0 315.442 2.011 10 30 DEEERN C#CCNC(=O)c1ccc(NC[C@]2(O)CCCC(C)(C)C2)nc1 ZINC000302469528 403711702 /nfs/dbraw/zinc/71/17/02/403711702.db2.gz CJNWKZUQSGDATD-SFHVURJKSA-N 0 0 315.417 2.188 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CCO)C(C)C ZINC000288045707 403714935 /nfs/dbraw/zinc/71/49/35/403714935.db2.gz DZGSRJXWLYZFHV-IRXDYDNUSA-N 0 0 302.418 2.327 10 30 DEEERN C#CCN1CCN(c2ncc(Br)cc2Cl)CC1 ZINC000302730373 403717036 /nfs/dbraw/zinc/71/70/36/403717036.db2.gz LSTIMDRQDDYOCF-UHFFFAOYSA-N 0 0 314.614 2.253 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@](C)(O)C1 ZINC000288077768 403720256 /nfs/dbraw/zinc/72/02/56/403720256.db2.gz GWTGSGMVVGUICX-WMZOPIPTSA-N 0 0 300.402 2.177 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000288798096 403771645 /nfs/dbraw/zinc/77/16/45/403771645.db2.gz ZWYNBJRMKWENKH-GFCCVEGCSA-N 0 0 320.437 2.158 10 30 DEEERN C=CCOc1ccc(CNC(=O)N2CCN(C3CC3)CC2)cc1 ZINC000288571306 403758723 /nfs/dbraw/zinc/75/87/23/403758723.db2.gz WMMDYGIQTVIWCZ-UHFFFAOYSA-N 0 0 315.417 2.241 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C ZINC000337030130 403960149 /nfs/dbraw/zinc/96/01/49/403960149.db2.gz FMRSTJLZOXKYFF-QMTHXVAHSA-N 0 0 314.788 2.135 10 30 DEEERN C=C[C@@H](CC(=O)NC[C@]1(CCO)CCOC1)c1ccccc1 ZINC000305664031 403907974 /nfs/dbraw/zinc/90/79/74/403907974.db2.gz GUKXPUKERAVZMM-YJBOKZPZSA-N 0 0 303.402 2.252 10 30 DEEERN C=C[C@H](C)NC(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000351795325 403922480 /nfs/dbraw/zinc/92/24/80/403922480.db2.gz LHGZTTJAXFUTNT-XEGUGMAKSA-N 0 0 321.808 2.486 10 30 DEEERN C=C[C@@H](C)NC(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000362368681 403947938 /nfs/dbraw/zinc/94/79/38/403947938.db2.gz DCENDWHFZSHXKZ-CQSZACIVSA-N 0 0 311.385 2.270 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000362794618 403989781 /nfs/dbraw/zinc/98/97/81/403989781.db2.gz NEIYCHKHNCETTC-YOEHRIQHSA-N 0 0 319.401 2.344 10 30 DEEERN C=CCN(C(=O)c1cc2[nH]ccc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000354796243 404019356 /nfs/dbraw/zinc/01/93/56/404019356.db2.gz VBHUAWFQWWUUFZ-SNVBAGLBSA-N 0 0 324.427 2.045 10 30 DEEERN C=C[C@@H](C)NC(=O)CCn1cnc2sc(C)c(C)c2c1=O ZINC000362587242 403969272 /nfs/dbraw/zinc/96/92/72/403969272.db2.gz KIPFEVYXDXWMGZ-SECBINFHSA-N 0 0 305.403 2.156 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H]1CSc2ccccc21 ZINC000348429649 404068555 /nfs/dbraw/zinc/06/85/55/404068555.db2.gz RNLWXADCZNPFEE-CYBMUJFWSA-N 0 0 304.415 2.374 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)c3ncccc3C)C2)n1 ZINC000328612362 404114089 /nfs/dbraw/zinc/11/40/89/404114089.db2.gz OMOIMNWHUALFJT-CYBMUJFWSA-N 0 0 313.361 2.282 10 30 DEEERN C[C@H](C(=O)N[C@H]1CCO[C@@H]1c1nccn1C)[NH+]1CCCCCC1 ZINC000328615823 404115501 /nfs/dbraw/zinc/11/55/01/404115501.db2.gz BBCGSRUDSQJANB-ILXRZTDVSA-N 0 0 320.437 2.471 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)Nc3ccccn3)C2)n1 ZINC000328620342 404117664 /nfs/dbraw/zinc/11/76/64/404117664.db2.gz GXSLJXQHYPIFGJ-LBPRGKRZSA-N 0 0 314.349 2.379 10 30 DEEERN CC[C@H](C(=O)NC[C@H]1CCCn2cc(C)nc21)N1CCCC1=O ZINC000328664054 404127362 /nfs/dbraw/zinc/12/73/62/404127362.db2.gz YIEAJIZPUXQUFS-ZIAGYGMSSA-N 0 0 318.421 2.426 10 30 DEEERN O=C(NC[C@@H]1CCCC[C@@H]1O)N[C@H]1CCCC12CCOCC2 ZINC000328707114 404135061 /nfs/dbraw/zinc/13/50/61/404135061.db2.gz LSXHTCZAAKPDMS-KKUMJFAQSA-N 0 0 310.438 2.390 10 30 DEEERN O=C(N[C@@H]1C=C[C@H](CO)C1)[C@H]1CCCN1C(=O)C1CCCC1 ZINC000328874654 404165558 /nfs/dbraw/zinc/16/55/58/404165558.db2.gz FRMPXIZIIDYRFR-NWANDNLSSA-N 0 0 306.406 2.061 10 30 DEEERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)[C@@H]2C[C@@]23CCOC3)cn1 ZINC000328941782 404178814 /nfs/dbraw/zinc/17/88/14/404178814.db2.gz FKBSHENCVZDPCG-YOKBYHGQSA-N 0 0 318.373 2.303 10 30 DEEERN C[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H]2Cn2ccnn2)[C@@H]1C ZINC000328969619 404185731 /nfs/dbraw/zinc/18/57/31/404185731.db2.gz OFVBVKFGGPHGTR-KBXIAJHMSA-N 0 0 305.426 2.481 10 30 DEEERN O=C(N[C@H]1COC[C@H]1n1ccnn1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000329129855 404239507 /nfs/dbraw/zinc/23/95/07/404239507.db2.gz OBETXSSWZUACBX-APIJFGDWSA-N 0 0 304.394 2.391 10 30 DEEERN [O-]C(=[NH+]C[C@H]1CCC(F)(F)C1)N1CCC[C@H]1Cn1ccnn1 ZINC000329163861 404250590 /nfs/dbraw/zinc/25/05/90/404250590.db2.gz GMGZALJUWXWYRZ-RYUDHWBXSA-N 0 0 313.352 2.092 10 30 DEEERN CC(C)c1nc2n(n1)C[C@H](NC(=O)COc1cccnc1)CC2 ZINC000329412758 404329832 /nfs/dbraw/zinc/32/98/32/404329832.db2.gz FEHHKASEBRTOBL-GFCCVEGCSA-N 0 0 315.377 2.147 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CCCC2(CC2)C1 ZINC000329424845 404332499 /nfs/dbraw/zinc/33/24/99/404332499.db2.gz GDONMAOAXHAXEX-DZGCQCFKSA-N 0 0 318.421 2.288 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCOC[C@H]1C ZINC000355455396 404335780 /nfs/dbraw/zinc/33/57/80/404335780.db2.gz YOEURADTKIGLKO-CZUORRHYSA-N 0 0 322.405 2.285 10 30 DEEERN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC2(C1)CCCCC2 ZINC000370185321 404361377 /nfs/dbraw/zinc/36/13/77/404361377.db2.gz QSSRDALENQROGH-AWEZNQCLSA-N 0 0 313.467 2.369 10 30 DEEERN Cc1noc(C)c1[NH+]=C([O-])N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000329456865 404342801 /nfs/dbraw/zinc/34/28/01/404342801.db2.gz QFHAEUUXCYLZMW-NSHDSACASA-N 0 0 318.381 2.347 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@H]2COC3(CCCC3)O2)cc1 ZINC000296863825 404346477 /nfs/dbraw/zinc/34/64/77/404346477.db2.gz ZIWPCSLAJSDOEO-INIZCTEOSA-N 0 0 314.385 2.153 10 30 DEEERN C=CCN(C(=O)[C@@H](C)CC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000355621086 404354803 /nfs/dbraw/zinc/35/48/03/404354803.db2.gz LUPHGVCHMICFDC-STQMWFEESA-N 0 0 301.452 2.260 10 30 DEEERN O=C(NC[C@@H]1CCCSC1)N1CCC[C@H]1Cn1ccnc1 ZINC000329298871 404294567 /nfs/dbraw/zinc/29/45/67/404294567.db2.gz LQIYJZAAJLBSMS-KBPBESRZSA-N 0 0 308.451 2.405 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1F ZINC000364053454 404300587 /nfs/dbraw/zinc/30/05/87/404300587.db2.gz CQCXEULNZJGZFJ-WFASDCNBSA-N 0 0 304.365 2.428 10 30 DEEERN Cc1nc(N2CCOCC2)ccc1NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000329365957 404316175 /nfs/dbraw/zinc/31/61/75/404316175.db2.gz GRGJPWNZRYBLPD-MAZHCROVSA-N 0 0 317.389 2.240 10 30 DEEERN C#CCNC(=O)N1CC(Cc2ccccc2OC(F)(F)F)C1 ZINC000364126805 404323388 /nfs/dbraw/zinc/32/33/88/404323388.db2.gz LGORFMJPMITPNR-UHFFFAOYSA-N 0 0 312.291 2.402 10 30 DEEERN C#CCOc1ccc(CNC(=O)N(C)C[C@@H]2CCCO2)cc1 ZINC000297002866 404408142 /nfs/dbraw/zinc/40/81/42/404408142.db2.gz KHUITLOJUXWMQX-INIZCTEOSA-N 0 0 302.374 2.019 10 30 DEEERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@H]2CCCCC2(C)C)nn1 ZINC000329655617 404411300 /nfs/dbraw/zinc/41/13/00/404411300.db2.gz MHQSOHWNMNUGMM-MCIONIFRSA-N 0 0 322.409 2.138 10 30 DEEERN CNC(=O)C1(C(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)CC1 ZINC000329690426 404423237 /nfs/dbraw/zinc/42/32/37/404423237.db2.gz ZKVNRFWZIZRWRS-NSHDSACASA-N 0 0 318.377 2.020 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000342312681 404501770 /nfs/dbraw/zinc/50/17/70/404501770.db2.gz FOURJCOPVQGCAV-CVEARBPZSA-N 0 0 322.449 2.219 10 30 DEEERN C=CCn1c(-c2ncccc2C)nnc1N1CCSCC1 ZINC000351111536 404516736 /nfs/dbraw/zinc/51/67/36/404516736.db2.gz FJOJKSSACJMVOR-UHFFFAOYSA-N 0 0 301.419 2.388 10 30 DEEERN C=CCOc1ccc(CN2CCO[C@@H](C(=O)C3CC3)C2)cc1 ZINC000356300069 404432537 /nfs/dbraw/zinc/43/25/37/404432537.db2.gz IZQPPWHEUWYXLH-QGZVFWFLSA-N 0 0 301.386 2.431 10 30 DEEERN CN1CC[C@H](C(=O)NC[C@@H]2Cc3ccccc3N(C)C2)CC1=O ZINC000330002732 404522990 /nfs/dbraw/zinc/52/29/90/404522990.db2.gz ZDHAHACJANDGRF-ZFWWWQNUSA-N 0 0 315.417 2.120 10 30 DEEERN Cc1cccc2c1OC[C@@H]([NH+]=C([O-])N1CCc3cncnc3C1)C2 ZINC000329732009 404435780 /nfs/dbraw/zinc/43/57/80/404435780.db2.gz INBSXQRCKHHUFE-HNNXBMFYSA-N 0 0 324.384 2.061 10 30 DEEERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000329801931 404456947 /nfs/dbraw/zinc/45/69/47/404456947.db2.gz YYGFVNABKRRXQS-LSDHHAIUSA-N 0 0 318.421 2.289 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000350740316 404458598 /nfs/dbraw/zinc/45/85/98/404458598.db2.gz AFGHUDKNHVYXHF-AGIUHOORSA-N 0 0 305.426 2.068 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@H](c2ccco2)N(C)C)cc1 ZINC000297661473 404583842 /nfs/dbraw/zinc/58/38/42/404583842.db2.gz IZLKYFDJZBFFAN-MRXNPFEDSA-N 0 0 311.385 2.363 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1n[nH]c(C)c1C ZINC000342373078 404540547 /nfs/dbraw/zinc/54/05/47/404540547.db2.gz RNTZAHIJTBWKCJ-UHFFFAOYSA-N 0 0 303.362 2.330 10 30 DEEERN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CCO[C@@H](C2CC2)C1 ZINC000330121820 404558635 /nfs/dbraw/zinc/55/86/35/404558635.db2.gz GZXNUQKCMBFQAG-OAGGEKHMSA-N 0 0 310.438 2.462 10 30 DEEERN C[S@](=O)Cc1ccccc1NC(=O)N1CCO[C@H](C2CC2)C1 ZINC000330152069 404567152 /nfs/dbraw/zinc/56/71/52/404567152.db2.gz WNEWBIMJMUHKBM-NYHFZMIOSA-N 0 0 322.430 2.221 10 30 DEEERN O=C(N[C@@H]1COc2ccccc2C1)N1CCO[C@H](C2CC2)C1 ZINC000330186713 404577950 /nfs/dbraw/zinc/57/79/50/404577950.db2.gz SFOMGLCDQJNIED-HOCLYGCPSA-N 0 0 302.374 2.015 10 30 DEEERN N#Cc1csc(CNc2ccccc2SCC(N)=O)n1 ZINC000352823163 404648289 /nfs/dbraw/zinc/64/82/89/404648289.db2.gz MIMQHZOCAGDFQV-UHFFFAOYSA-N 0 0 304.400 2.204 10 30 DEEERN C=C(C)COCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342578683 404659798 /nfs/dbraw/zinc/65/97/98/404659798.db2.gz XXIQAQRQHVYPOC-UHFFFAOYSA-N 0 0 314.288 2.124 10 30 DEEERN C=CCCCNC(=O)C(=O)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000342516887 404628471 /nfs/dbraw/zinc/62/84/71/404628471.db2.gz URLIILZUQJFVGW-GOSISDBHSA-N 0 0 318.392 2.398 10 30 DEEERN C#CCCCNC(=O)N1CCc2cc(OC)c(OC)cc2CC1 ZINC000365659801 404706386 /nfs/dbraw/zinc/70/63/86/404706386.db2.gz JVBXVUNDORAJJL-UHFFFAOYSA-N 0 0 316.401 2.227 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000357714933 404740892 /nfs/dbraw/zinc/74/08/92/404740892.db2.gz KALWQPOONDRBNW-GOEBONIOSA-N 0 0 316.401 2.279 10 30 DEEERN C=CCN(CCOC)C(=O)COc1ccc(C(=O)CC)cc1 ZINC000358115169 404753751 /nfs/dbraw/zinc/75/37/51/404753751.db2.gz UNNDVJBPJXLLKE-UHFFFAOYSA-N 0 0 305.374 2.319 10 30 DEEERN C=CCOc1ccc(CN2CC[C@@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000353149977 404754490 /nfs/dbraw/zinc/75/44/90/404754490.db2.gz IKQJHOUHLMPABF-IAGOWNOFSA-N 0 0 319.401 2.404 10 30 DEEERN COc1cc(CN(C)C(=O)NCC(C)(C)C#N)cc(OC)c1 ZINC000358628640 404770075 /nfs/dbraw/zinc/77/00/75/404770075.db2.gz RUYSOQNVZRSZQF-UHFFFAOYSA-N 0 0 305.378 2.395 10 30 DEEERN CC(C)(C)c1ncsc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000365770971 404718520 /nfs/dbraw/zinc/71/85/20/404718520.db2.gz KURQAAXIRBJXCI-LBPRGKRZSA-N 0 0 318.446 2.253 10 30 DEEERN C[C@@H](CC(=O)N1CCC(C)(C#N)CC1)NC(=O)C1CCCC1 ZINC000356968086 404722736 /nfs/dbraw/zinc/72/27/36/404722736.db2.gz GGGFNJADEQHSSG-ZDUSSCGKSA-N 0 0 305.422 2.224 10 30 DEEERN C=CC[C@H](CO)CN[C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000359200225 404786672 /nfs/dbraw/zinc/78/66/72/404786672.db2.gz AIZSZMNLQUMBDS-GUYCJALGSA-N 0 0 303.381 2.423 10 30 DEEERN C=CCCCCNC(=O)C(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000359257626 404788238 /nfs/dbraw/zinc/78/82/38/404788238.db2.gz HXWRYSQJRLYCAI-ZDUSSCGKSA-N 0 0 306.406 2.498 10 30 DEEERN C=CCN(C)C(=O)C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000359440267 404793600 /nfs/dbraw/zinc/79/36/00/404793600.db2.gz ORVLHLSIFUNYRD-UHFFFAOYSA-N 0 0 309.369 2.009 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cnn(CC(C)C)c1C1CC1 ZINC000353393566 404821336 /nfs/dbraw/zinc/82/13/36/404821336.db2.gz IKXACDWXTPPELR-CYBMUJFWSA-N 0 0 306.410 2.475 10 30 DEEERN C=CCSc1ccccc1C(=O)N[C@H](C(=O)NC)C(C)C ZINC000353435388 404830883 /nfs/dbraw/zinc/83/08/83/404830883.db2.gz FUPREOGYYBHXFC-AWEZNQCLSA-N 0 0 306.431 2.465 10 30 DEEERN C=CCOc1ccccc1CNC(=O)NC[C@H](CO)C1CC1 ZINC000358725017 404773307 /nfs/dbraw/zinc/77/33/07/404773307.db2.gz POEBUSFFKWKSDY-OAHLLOKOSA-N 0 0 304.390 2.069 10 30 DEEERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc(C#N)nc1)CC2 ZINC000378263344 404910742 /nfs/dbraw/zinc/91/07/42/404910742.db2.gz HODYQNMFKUZAIL-UHFFFAOYSA-N 0 0 319.364 2.397 10 30 DEEERN Cn1cc(C(=O)N2CCSC[C@H]2C#N)c2cc(F)ccc21 ZINC000435799196 405015947 /nfs/dbraw/zinc/01/59/47/405015947.db2.gz PKLJTAINYOYANM-LLVKDONJSA-N 0 0 303.362 2.399 10 30 DEEERN C=CCn1c([C@H]2CCCS2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC000424132126 405016732 /nfs/dbraw/zinc/01/67/32/405016732.db2.gz XMORSAJFURYISK-NWDGAFQWSA-N 0 0 322.434 2.032 10 30 DEEERN C=CCOC[C@@H](NC(=O)C/C=C\c1cccc(F)c1)C(=O)OC ZINC000435946678 405031270 /nfs/dbraw/zinc/03/12/70/405031270.db2.gz ZGHLNSHOVARNKN-ZQMJAJRESA-N 0 0 321.348 2.089 10 30 DEEERN N#Cc1ccnc(NC(=O)c2ccc(Cn3cccn3)cc2)c1 ZINC000436017466 405036064 /nfs/dbraw/zinc/03/60/64/405036064.db2.gz YOFKGYSXAFYCSI-UHFFFAOYSA-N 0 0 303.325 2.450 10 30 DEEERN C=CCC[C@@H](CO)NS(=O)(=O)c1c(F)cccc1Cl ZINC000452022431 405130738 /nfs/dbraw/zinc/13/07/38/405130738.db2.gz LHDBCSKTWQUFFN-VIFPVBQESA-N 0 0 307.774 2.085 10 30 DEEERN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CCO1 ZINC000408074206 405106296 /nfs/dbraw/zinc/10/62/96/405106296.db2.gz OWSMFRYNRNPQJF-MWLCHTKSSA-N 0 0 314.794 2.057 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)CCOCC1 ZINC000424641203 405135241 /nfs/dbraw/zinc/13/52/41/405135241.db2.gz NPKSXGRYSMWDQW-CQSZACIVSA-N 0 0 303.406 2.489 10 30 DEEERN C=CCC1(C(=O)Nc2ccc3c(c2)oc(=O)n3C)CCOCC1 ZINC000424639132 405135789 /nfs/dbraw/zinc/13/57/89/405135789.db2.gz KZAVATZYUZBDRD-UHFFFAOYSA-N 0 0 316.357 2.443 10 30 DEEERN CCO[C@@H]1C[C@@H](Nc2ccncc2C#N)[C@@H]1Oc1ccccc1 ZINC000367802444 405158933 /nfs/dbraw/zinc/15/89/33/405158933.db2.gz KTBBDJAAHQKIRE-KURKYZTESA-N 0 0 309.369 2.412 10 30 DEEERN C=CCCOCCNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000354311216 405152669 /nfs/dbraw/zinc/15/26/69/405152669.db2.gz JKNNVJNNJXLZSX-UHFFFAOYSA-N 0 0 302.349 2.438 10 30 DEEERN C=CCCn1cc(C(=O)NCCc2cc(C)c(O)c(C)c2)nn1 ZINC000424793431 405180332 /nfs/dbraw/zinc/18/03/32/405180332.db2.gz MLJACLHERJZRNG-UHFFFAOYSA-N 0 0 314.389 2.149 10 30 DEEERN C=CCOCCNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000367915567 405190694 /nfs/dbraw/zinc/19/06/94/405190694.db2.gz DWMJGYWOGYMQFK-AWEZNQCLSA-N 0 0 323.824 2.421 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@@H](CCNC(C)=O)C2)CCOCC1 ZINC000424847524 405195434 /nfs/dbraw/zinc/19/54/34/405195434.db2.gz KMPNPFAHLPCGSO-INIZCTEOSA-N 0 0 322.449 2.124 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000437512179 405203328 /nfs/dbraw/zinc/20/33/28/405203328.db2.gz BYVLJVFDLYXTCB-QRTARXTBSA-N 0 0 314.385 2.423 10 30 DEEERN CC(C)(C)[C@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)C[C@H]1O ZINC000408428697 405204424 /nfs/dbraw/zinc/20/44/24/405204424.db2.gz VOOFVRFBYDGPIH-DZGCQCFKSA-N 0 0 302.374 2.133 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000424931386 405214158 /nfs/dbraw/zinc/21/41/58/405214158.db2.gz KDMRMEVOJZXAEO-ZFWWWQNUSA-N 0 0 304.346 2.153 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCC(=O)N(CCC)CCC ZINC000424934273 405215218 /nfs/dbraw/zinc/21/52/18/405215218.db2.gz UKENRWFKIRMFSJ-GJZGRUSLSA-N 0 0 310.438 2.123 10 30 DEEERN C=CCC[C@H]1NC(=O)N(Cc2cccc(OCCOC)c2)C1=O ZINC000419942606 405273863 /nfs/dbraw/zinc/27/38/63/405273863.db2.gz HKJGPOXRICRBGS-OAHLLOKOSA-N 0 0 318.373 2.098 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000452690926 405227965 /nfs/dbraw/zinc/22/79/65/405227965.db2.gz DBXOTQQJEVVOEB-VNHYZAJKSA-N 0 0 308.328 2.480 10 30 DEEERN C=CC[C@@H](C)NC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000438067460 405229275 /nfs/dbraw/zinc/22/92/75/405229275.db2.gz VNRVOESGLYVTAP-OLZOCXBDSA-N 0 0 324.446 2.121 10 30 DEEERN C=C[C@@](C)(CC)C(=O)NCc1nn(C)cc1Br ZINC000452761728 405238427 /nfs/dbraw/zinc/23/84/27/405238427.db2.gz CMZNELANDPLHQB-LBPRGKRZSA-N 0 0 300.200 2.401 10 30 DEEERN CC#CCCNC(=O)C(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000440724072 405324600 /nfs/dbraw/zinc/32/46/00/405324600.db2.gz AXQMFLVQBZUZPI-UHFFFAOYSA-N 0 0 306.749 2.011 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCC1CCCCC1 ZINC000425909503 405329116 /nfs/dbraw/zinc/32/91/16/405329116.db2.gz PDAMDSDRZONCQQ-HOTGVXAUSA-N 0 0 322.449 2.123 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1CC(C)(C)C ZINC000425908997 405329134 /nfs/dbraw/zinc/32/91/34/405329134.db2.gz LQDOTEPCCLPWRS-ZNMIVQPWSA-N 0 0 322.449 2.121 10 30 DEEERN C=CCn1cc(CNC(=O)N[C@@H](C)CCc2ccc(C)o2)nn1 ZINC000425438624 405291218 /nfs/dbraw/zinc/29/12/18/405291218.db2.gz AHDYGZZUPAXCFC-LBPRGKRZSA-N 0 0 317.393 2.186 10 30 DEEERN C=CCC1(C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@H]32)CCOCC1 ZINC000425543170 405300684 /nfs/dbraw/zinc/30/06/84/405300684.db2.gz AZBBYUKXYDEMAJ-ARFHVFGLSA-N 0 0 323.433 2.154 10 30 DEEERN C=CCC1(C(=O)N2CCN(CC(C)C)C(=O)[C@@H]2C)CCOCC1 ZINC000425564222 405303666 /nfs/dbraw/zinc/30/36/66/405303666.db2.gz UJCQOHDYKMOOLM-HNNXBMFYSA-N 0 0 322.449 2.075 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427391916 405403530 /nfs/dbraw/zinc/40/35/30/405403530.db2.gz QDGJXTDIPMESFK-UHFFFAOYSA-N 0 0 318.333 2.275 10 30 DEEERN C=CC(C)(C)CNC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000455389018 405404160 /nfs/dbraw/zinc/40/41/60/405404160.db2.gz SGYAEIADDMMZLL-CQSZACIVSA-N 0 0 316.405 2.088 10 30 DEEERN COC(=O)c1ccc(CC(=O)N[C@](C)(C#N)CC(C)C)cc1 ZINC000448848883 405455389 /nfs/dbraw/zinc/45/53/89/405455389.db2.gz QMFXDGCKXDEZRB-KRWDZBQOSA-N 0 0 302.374 2.460 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1ccc2c(c1O)OC(C)(C)C2 ZINC000456765531 405556235 /nfs/dbraw/zinc/55/62/35/405556235.db2.gz KCVCHUODNGKMSR-LBPRGKRZSA-N 0 0 305.374 2.163 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)S(=O)(=O)Cc1ccccc1 ZINC000577764756 405510225 /nfs/dbraw/zinc/51/02/25/405510225.db2.gz NTBPFEIKBOTFFZ-AWEZNQCLSA-N 0 0 309.431 2.415 10 30 DEEERN CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1sccc1C#N ZINC000456158629 405522113 /nfs/dbraw/zinc/52/21/13/405522113.db2.gz PLQQNRRXIXNGRX-NEPJUHHUSA-N 0 0 306.387 2.471 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1sc(C(C)(C)OC)nc1C ZINC000456767123 405555954 /nfs/dbraw/zinc/55/59/54/405555954.db2.gz MKDLAPYFRLVSIM-NSHDSACASA-N 0 0 312.435 2.390 10 30 DEEERN C=CCOc1ccc(C(=O)Nc2ccncc2C(=O)OC)cc1 ZINC000431042542 405566583 /nfs/dbraw/zinc/56/65/83/405566583.db2.gz INDUUAMNGFCHNP-UHFFFAOYSA-N 0 0 312.325 2.107 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000580188892 405604941 /nfs/dbraw/zinc/60/49/41/405604941.db2.gz YEPZSHVMUWRQPW-XQLPTFJDSA-N 0 0 310.438 2.016 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000633410718 405628227 /nfs/dbraw/zinc/62/82/27/405628227.db2.gz ATXSEVZCEKKJIW-OLZOCXBDSA-N 0 0 316.467 2.196 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000633411211 405628666 /nfs/dbraw/zinc/62/86/66/405628666.db2.gz KMRAYDGBXGJSFI-ZDUSSCGKSA-N 0 0 316.467 2.055 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N(CC)[C@@H](C)CS(C)(=O)=O ZINC000633411258 405629374 /nfs/dbraw/zinc/62/93/74/405629374.db2.gz MAUNEKNUCYVCFA-ZDUSSCGKSA-N 0 0 318.483 2.443 10 30 DEEERN C=CCOCCCNC(=O)N[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000633354368 405588935 /nfs/dbraw/zinc/58/89/35/405588935.db2.gz RQFPTBTZUIUQSI-LLVKDONJSA-N 0 0 319.361 2.486 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1cc(C(F)(F)F)cnc1C ZINC000636006428 405673038 /nfs/dbraw/zinc/67/30/38/405673038.db2.gz ZLTSUWLNOZUCNH-LLVKDONJSA-N 0 0 302.296 2.466 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC000558673709 405686433 /nfs/dbraw/zinc/68/64/33/405686433.db2.gz FCNXIGFDMJEABP-UONOGXRCSA-N 0 0 320.437 2.424 10 30 DEEERN C=CCCn1cc(C(=O)N2CCC[C@@H](c3cccnc3)C2)nn1 ZINC000633534957 405702633 /nfs/dbraw/zinc/70/26/33/405702633.db2.gz QOLLJMFJNVYUJH-OAHLLOKOSA-N 0 0 311.389 2.269 10 30 DEEERN C=CCCC1(CNC(=O)C2(N3CCOCC3)CC2)CCCC1 ZINC000633609524 405742468 /nfs/dbraw/zinc/74/24/68/405742468.db2.gz AGCMRXZBWFTSBN-UHFFFAOYSA-N 0 0 306.450 2.494 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Cc2c(C)nn(COCC)c2C)C1 ZINC000633672055 405780261 /nfs/dbraw/zinc/78/02/61/405780261.db2.gz KFAYHZATSIFDTG-HNNXBMFYSA-N 0 0 305.422 2.461 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCC[C@H]1CC(=O)c1ccco1 ZINC000450162536 405763595 /nfs/dbraw/zinc/76/35/95/405763595.db2.gz QIKWOJHPGZTLIR-LBPRGKRZSA-N 0 0 311.341 2.367 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@H]2CCOC[C@@H]2C)cc1OC ZINC000432459907 405770123 /nfs/dbraw/zinc/77/01/23/405770123.db2.gz AZFSDRIFCZJVPP-JSGCOSHPSA-N 0 0 305.374 2.415 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCC[C@H]1c1ccc(=O)[nH]n1)OCC ZINC000530081535 405774100 /nfs/dbraw/zinc/77/41/00/405774100.db2.gz ZBWVGSLDYSJAIT-KBPBESRZSA-N 0 0 305.378 2.217 10 30 DEEERN CCC1(CC)[C@H](NC(=O)c2ccc(C#N)n2C)[C@H](C)[C@@H]1OC ZINC000450373915 405864264 /nfs/dbraw/zinc/86/42/64/405864264.db2.gz DJNXBEMMPFZROM-GLQYFDAESA-N 0 0 303.406 2.466 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1ccc(=O)n(CCOC)c1 ZINC000633964105 405933626 /nfs/dbraw/zinc/93/36/26/405933626.db2.gz APEDTLWSNIFSIH-UHFFFAOYSA-N 0 0 306.406 2.217 10 30 DEEERN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc(OCCO)cc1 ZINC000457651595 405937305 /nfs/dbraw/zinc/93/73/05/405937305.db2.gz KCAXBACEKSRTPL-IRXDYDNUSA-N 0 0 319.401 2.045 10 30 DEEERN COC(=O)c1cc(C)cc(C(=O)NC2(C#N)CCSCC2)c1 ZINC000457673736 405945977 /nfs/dbraw/zinc/94/59/77/405945977.db2.gz POBJZUDSNLNJKH-UHFFFAOYSA-N 0 0 318.398 2.301 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2CCOC3(CCSCC3)C2)C1=O ZINC000630979085 405950263 /nfs/dbraw/zinc/95/02/63/405950263.db2.gz PGLMZPXGKMZSOW-CHWSQXEVSA-N 0 0 324.446 2.318 10 30 DEEERN CCNC(=O)c1ccc(CNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000531145807 405915085 /nfs/dbraw/zinc/91/50/85/405915085.db2.gz LRTJUFUSZXWGPA-UHFFFAOYSA-N 0 0 321.380 2.167 10 30 DEEERN C[C@@]1(C#N)CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000612152173 405916768 /nfs/dbraw/zinc/91/67/68/405916768.db2.gz ARWAHGIIAPUMSA-AWEZNQCLSA-N 0 0 307.350 2.012 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1cccc(COC)c1 ZINC000636534332 406002530 /nfs/dbraw/zinc/00/25/30/406002530.db2.gz QIZGXUOPRPROEQ-UHFFFAOYSA-N 0 0 318.417 2.168 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC(=O)C1CCC(F)(F)CC1 ZINC000566128861 406085782 /nfs/dbraw/zinc/08/57/82/406085782.db2.gz NLPPNZKYKLDFIH-TZMCWYRMSA-N 0 0 315.360 2.478 10 30 DEEERN C=CCOCCCC(=O)N[C@@](C)(CO)Cc1ccc(F)cc1 ZINC000634295242 406087458 /nfs/dbraw/zinc/08/74/58/406087458.db2.gz WMKGEKXZPUPCSM-QGZVFWFLSA-N 0 0 309.381 2.218 10 30 DEEERN N#CC1CCC(CNC(=O)NC[C@H](CO)Cc2ccco2)CC1 ZINC000566657866 406090475 /nfs/dbraw/zinc/09/04/75/406090475.db2.gz ABUFRYXYRNYVLW-YMAMQOFZSA-N 0 0 319.405 2.060 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000636824241 406092420 /nfs/dbraw/zinc/09/24/20/406092420.db2.gz JRTOLSUYXHULKV-HNNXBMFYSA-N 0 0 315.417 2.367 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H](C)c1ncc(C)s1 ZINC000636842578 406096964 /nfs/dbraw/zinc/09/69/64/406096964.db2.gz DTVLTILSZAJRSG-LLVKDONJSA-N 0 0 323.462 2.390 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC000632347613 406100982 /nfs/dbraw/zinc/10/09/82/406100982.db2.gz SRRTZYCMWSYQSA-AWEZNQCLSA-N 0 0 310.344 2.377 10 30 DEEERN C=CCNC(=O)NC(=O)[C@@H](C)N1Cc2ccc(Cl)cc2C1 ZINC000459769753 406039358 /nfs/dbraw/zinc/03/93/58/406039358.db2.gz RXJKYTXLOJXJNY-SNVBAGLBSA-N 0 0 307.781 2.056 10 30 DEEERN C=CCC[C@@H](NC(=O)c1cc(-c2ccoc2)n[nH]1)C(=O)OCC ZINC000562636288 406048558 /nfs/dbraw/zinc/04/85/58/406048558.db2.gz NCOSRGMTUHTCTQ-GFCCVEGCSA-N 0 0 317.345 2.297 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)c1c(C)ccc2ccccc21 ZINC000632207414 406049401 /nfs/dbraw/zinc/04/94/01/406049401.db2.gz HVYZTELCQUVMII-CQSZACIVSA-N 0 0 305.399 2.364 10 30 DEEERN C=C(C)Cn1c(C2CCCC2)nnc1N1CC[C@@H](C(=O)NC)C1 ZINC000515151176 406057987 /nfs/dbraw/zinc/05/79/87/406057987.db2.gz MPEGWNHOFKJGOK-CQSZACIVSA-N 0 0 317.437 2.084 10 30 DEEERN C=CCn1c(N2C[C@H](C)O[C@@H](CC)C2)nnc1[C@]1(C)CCCO1 ZINC000515337311 406059698 /nfs/dbraw/zinc/05/96/98/406059698.db2.gz YHTXPKLXGAVMGW-ZQIUZPCESA-N 0 0 320.437 2.493 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCCc1sc(C)nc1C ZINC000563425323 406060153 /nfs/dbraw/zinc/06/01/53/406060153.db2.gz AOVIVDPGBCKDDC-UHFFFAOYSA-N 0 0 323.462 2.281 10 30 DEEERN C=CCSCCNC(=O)N1Cc2ccccc2NC(=O)C1 ZINC000564586452 406064184 /nfs/dbraw/zinc/06/41/84/406064184.db2.gz VHCBPUVLKGSIGT-UHFFFAOYSA-N 0 0 305.403 2.070 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000636736599 406068306 /nfs/dbraw/zinc/06/83/06/406068306.db2.gz LIYASHMNRJWAEK-LBPRGKRZSA-N 0 0 310.438 2.167 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000636763760 406075006 /nfs/dbraw/zinc/07/50/06/406075006.db2.gz XHXDHSQQCDOJDJ-ZBFHGGJFSA-N 0 0 313.401 2.400 10 30 DEEERN C=CCOc1ccccc1CNC(=O)NCC[C@@H](O)C(F)F ZINC000636765327 406075823 /nfs/dbraw/zinc/07/58/23/406075823.db2.gz CDUQCZYKJSNOCI-GFCCVEGCSA-N 0 0 314.332 2.067 10 30 DEEERN C=CCCCN(C)c1nnc(Cc2cc(C)[nH]n2)n1CC=C ZINC000634337794 406105417 /nfs/dbraw/zinc/10/54/17/406105417.db2.gz MXJWJJJKZZRDRW-UHFFFAOYSA-N 0 0 300.410 2.489 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@@H]1C[C@H](C)O[C@@H]1C ZINC000636965893 406135248 /nfs/dbraw/zinc/13/52/48/406135248.db2.gz RZZWEPKYJOGEFW-MJBXVCDLSA-N 0 0 310.438 2.025 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)CC1(N(C)C)CC1 ZINC000632544471 406176751 /nfs/dbraw/zinc/17/67/51/406176751.db2.gz HCLYLYDILYUISL-KGLIPLIRSA-N 0 0 300.468 2.135 10 30 DEEERN C=CCN(CCOC)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000484669486 406181135 /nfs/dbraw/zinc/18/11/35/406181135.db2.gz FTHCRDAEHJQXMN-UHFFFAOYSA-N 0 0 306.450 2.206 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(N(C)C)c1 ZINC000519146093 406182009 /nfs/dbraw/zinc/18/20/09/406182009.db2.gz YYGYITQLNVEKEQ-HOCLYGCPSA-N 0 0 303.406 2.143 10 30 DEEERN C=CCOc1ccc(CNC(=O)NCC[C@H](O)C(F)F)cc1 ZINC000637138239 406187642 /nfs/dbraw/zinc/18/76/42/406187642.db2.gz IOUBPGJOJOTBIR-ZDUSSCGKSA-N 0 0 314.332 2.067 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCSC[C@@H](C)C1 ZINC000632609733 406197954 /nfs/dbraw/zinc/19/79/54/406197954.db2.gz QLJXNNRZWOIILS-ZDUSSCGKSA-N 0 0 312.479 2.307 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[C@]1(C)CCCO ZINC000632620043 406203712 /nfs/dbraw/zinc/20/37/12/406203712.db2.gz YKXXLMVOPCMIHS-GOSISDBHSA-N 0 0 324.465 2.249 10 30 DEEERN C=CCCN(C)C(=O)Cc1nnc(-c2ccccc2OC)o1 ZINC000632702965 406234055 /nfs/dbraw/zinc/23/40/55/406234055.db2.gz JQZKQCYCCDVKCS-UHFFFAOYSA-N 0 0 301.346 2.322 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@H](C)c1ccccn1 ZINC000637193562 406206146 /nfs/dbraw/zinc/20/61/46/406206146.db2.gz CCFWXWZRKGSYKP-AWEZNQCLSA-N 0 0 317.433 2.410 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@]1(O)CCCC(C)(C)CC1 ZINC000637191877 406206377 /nfs/dbraw/zinc/20/63/77/406206377.db2.gz OVUGULRVCYEVFL-JKIFEVAISA-N 0 0 310.438 2.351 10 30 DEEERN C=CCN(C(=O)NC[C@@H]1Cc2ccccc2CO1)[C@H](C)COC ZINC000637346189 406268669 /nfs/dbraw/zinc/26/86/69/406268669.db2.gz SJFSKROHDHCCRI-PBHICJAKSA-N 0 0 318.417 2.360 10 30 DEEERN C=C1CC(C)(C(=O)NC[C@H](CO)Cc2ccncc2Cl)C1 ZINC000632808305 406271417 /nfs/dbraw/zinc/27/14/17/406271417.db2.gz NWMUPQYJPMIPMS-GFCCVEGCSA-N 0 0 308.809 2.359 10 30 DEEERN C=CCN(CCOC)C(=O)NC[C@@]1(C)COc2ccccc2O1 ZINC000637339544 406265853 /nfs/dbraw/zinc/26/58/53/406265853.db2.gz QZBJOZHDJTXWCW-KRWDZBQOSA-N 0 0 320.389 2.061 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cc1cn2cc(C)sc2n1 ZINC000632841111 406285655 /nfs/dbraw/zinc/28/56/55/406285655.db2.gz SODYQXMSKRSJHB-SWLSCSKDSA-N 0 0 319.430 2.344 10 30 DEEERN N#Cc1cnccc1N1CCN(c2cccc(F)c2C#N)CC1 ZINC000545947732 406337601 /nfs/dbraw/zinc/33/76/01/406337601.db2.gz ZWLQFYRRNIAICI-UHFFFAOYSA-N 0 0 307.332 2.291 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccc(OC)c(N)c1 ZINC000633015935 406354428 /nfs/dbraw/zinc/35/44/28/406354428.db2.gz IGLHVUCPMGAZEU-UHFFFAOYSA-N 0 0 319.405 2.325 10 30 DEEERN C=C[C@@H]1CCCCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000489512072 406413851 /nfs/dbraw/zinc/41/38/51/406413851.db2.gz NWHAMSVHMFARDA-OAHLLOKOSA-N 0 0 304.415 2.372 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1c(C)cnn1CC ZINC000635261819 406478696 /nfs/dbraw/zinc/47/86/96/406478696.db2.gz LBUVYVOFISPDBU-UHFFFAOYSA-N 0 0 306.410 2.259 10 30 DEEERN C=CCCCS(=O)(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000489839990 406434443 /nfs/dbraw/zinc/43/44/43/406434443.db2.gz FZLJKBRLAIGPRF-QGZVFWFLSA-N 0 0 323.458 2.309 10 30 DEEERN C[C@H](C(=O)N[C@@H]1CCCc2ccc(F)cc21)n1cnc(C#N)n1 ZINC000524090352 406439599 /nfs/dbraw/zinc/43/95/99/406439599.db2.gz MZRCJVSBIZFPJU-QMTHXVAHSA-N 0 0 313.336 2.044 10 30 DEEERN Cc1ccccc1C[C@H](CO)NC(=O)Cc1cccc(C#N)c1 ZINC000526060203 406540203 /nfs/dbraw/zinc/54/02/03/406540203.db2.gz KIIAHUUIRLDKFZ-GOSISDBHSA-N 0 0 308.381 2.129 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000572151371 406613398 /nfs/dbraw/zinc/61/33/98/406613398.db2.gz PGDOBOWSJARTNU-QXSJWSMHSA-N 0 0 318.421 2.067 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C)c1nc(C)cs1 ZINC000572237403 406626339 /nfs/dbraw/zinc/62/63/39/406626339.db2.gz RUDCNNKRZNCPDY-DRZSPHRISA-N 0 0 309.435 2.445 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@H](C)Cc1c(C)noc1C ZINC000572975060 406768110 /nfs/dbraw/zinc/76/81/10/406768110.db2.gz KBBSNQOAFMGVQS-GFCCVEGCSA-N 0 0 321.421 2.201 10 30 DEEERN C=CCn1c(C(C)C)nnc1N1CC[C@H](Nc2ncccn2)C1 ZINC000573966016 406778367 /nfs/dbraw/zinc/77/83/67/406778367.db2.gz NCAZQEANVFHTFG-ZDUSSCGKSA-N 0 0 313.409 2.068 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CCC(C)=C(C)C1 ZINC000574724663 406786055 /nfs/dbraw/zinc/78/60/55/406786055.db2.gz DXGBONCWUUJOGG-UHFFFAOYSA-N 0 0 313.409 2.115 10 30 DEEERN C=CCCCCCNC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000574888086 406787722 /nfs/dbraw/zinc/78/77/22/406787722.db2.gz MFMNRMZLHUSKLW-GASCZTMLSA-N 0 0 320.433 2.414 10 30 DEEERN N#Cc1cc(OC(F)F)c(I)cc1O ZINC000575662150 406816960 /nfs/dbraw/zinc/81/69/60/406816960.db2.gz RRPJHCKMVINSCK-UHFFFAOYSA-N 0 0 311.025 2.470 10 30 DEEERN CCOc1cc(C#N)c(I)c([N+](=O)[O-])c1 ZINC000575670815 406817056 /nfs/dbraw/zinc/81/70/56/406817056.db2.gz MOCIWSNOFHTQQW-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN CCOc1cc([N+](=O)[O-])cc(C#N)c1I ZINC000575671477 406817294 /nfs/dbraw/zinc/81/72/94/406817294.db2.gz SLQZHSFKURUPPW-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN CCOC(=O)Cc1c(C#N)ccc([N+](=O)[O-])c1OC(F)(F)F ZINC000575395640 406808764 /nfs/dbraw/zinc/80/87/64/406808764.db2.gz LWQYSXXTVIVZPF-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN N#CCc1cc([N+](=O)[O-])cc(I)c1F ZINC000575707044 406821490 /nfs/dbraw/zinc/82/14/90/406821490.db2.gz HPQLYKOJEXFARS-UHFFFAOYSA-N 0 0 306.034 2.405 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)Cc1c(C)noc1C ZINC000576818306 406833010 /nfs/dbraw/zinc/83/30/10/406833010.db2.gz DXEJFXMKUMCZNW-DGFSRKRXSA-N 0 0 307.394 2.113 10 30 DEEERN N#Cc1ccc(NC(=O)[C@@H](N)c2cccs2)c([N+](=O)[O-])c1 ZINC000130633634 196097141 /nfs/dbraw/zinc/09/71/41/196097141.db2.gz UVZFKNHDLLZLSI-LBPRGKRZSA-N 0 0 302.315 2.166 10 30 DEEERN C=CCN(C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000131186137 196147891 /nfs/dbraw/zinc/14/78/91/196147891.db2.gz LGJOXFKSPKNYBE-UHFFFAOYSA-N 0 0 302.327 2.319 10 30 DEEERN Cn1cc([C@H]2CCCN2Cc2cnc3ccc(C#N)cn23)cn1 ZINC000131864900 196205320 /nfs/dbraw/zinc/20/53/20/196205320.db2.gz NUPQPNHIOYSJBI-MRXNPFEDSA-N 0 0 306.373 2.277 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1nc(C2CC2)no1 ZINC000131974656 196215730 /nfs/dbraw/zinc/21/57/30/196215730.db2.gz CFGXTGLZZMCDOE-UHFFFAOYSA-N 0 0 306.329 2.434 10 30 DEEERN CSCC[C@H](C)NC(=O)c1cc(F)ccc1C#CCCO ZINC000132360617 196249293 /nfs/dbraw/zinc/24/92/93/196249293.db2.gz UEECNSFPFFUMLT-LBPRGKRZSA-N 0 0 309.406 2.431 10 30 DEEERN CCN1CCO[C@H](CNc2ccc(Br)cc2C#N)C1 ZINC000132381724 196250632 /nfs/dbraw/zinc/25/06/32/196250632.db2.gz FBKDZTIZXVNVDF-CYBMUJFWSA-N 0 0 324.222 2.453 10 30 DEEERN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2C)C1 ZINC000133154020 196316456 /nfs/dbraw/zinc/31/64/56/196316456.db2.gz GCYQKBMYJWQPNR-CQSZACIVSA-N 0 0 300.358 2.282 10 30 DEEERN Cc1ccc(C(=O)N[C@@H]2CCCSC2)cc1C#CCCO ZINC000136574614 196542495 /nfs/dbraw/zinc/54/24/95/196542495.db2.gz IKBGKQDJIRDXFC-MRXNPFEDSA-N 0 0 303.427 2.354 10 30 DEEERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc(C#N)c(O)c1 ZINC000188608160 225026778 /nfs/dbraw/zinc/02/67/78/225026778.db2.gz NBZLBYBKTMACLX-SNVBAGLBSA-N 0 0 304.346 2.066 10 30 DEEERN COCCn1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)n1 ZINC000189433677 225053116 /nfs/dbraw/zinc/05/31/16/225053116.db2.gz CJNBUXDWPHGYLY-UHFFFAOYSA-N 0 0 310.357 2.071 10 30 DEEERN Cc1nc([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)cs1 ZINC000330082529 225965197 /nfs/dbraw/zinc/96/51/97/225965197.db2.gz QEJYEDALUCKOJZ-WCBMZHEXSA-N 0 0 319.390 2.245 10 30 DEEERN Cc1cnc([C@@H](NC(=O)N2CC(O)(C3CC3)C2)C2CC2)s1 ZINC000330237000 225985034 /nfs/dbraw/zinc/98/50/34/225985034.db2.gz HMLULWILKFJILL-LBPRGKRZSA-N 0 0 307.419 2.273 10 30 DEEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H](C)c2nc(C)no2)cn1 ZINC000330360164 225998101 /nfs/dbraw/zinc/99/81/01/225998101.db2.gz WVEXHLQLXQGMME-TVYUQYBPSA-N 0 0 319.365 2.390 10 30 DEEERN N#C[C@@H]1CN(Cc2ccn(-c3ccccc3)n2)CCN1C1CC1 ZINC000360094011 226839017 /nfs/dbraw/zinc/83/90/17/226839017.db2.gz WSBDTGFJJRFDGK-GOSISDBHSA-N 0 0 307.401 2.044 10 30 DEEERN C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N2CCO[C@@H](C#N)C2)o1 ZINC000362873305 226906186 /nfs/dbraw/zinc/90/61/86/226906186.db2.gz UBCDUVOOQBLHLI-MBJXGIAVSA-N 0 0 300.358 2.257 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2ccnc3ccccc32)CCN1C1CC1 ZINC000370972455 227061724 /nfs/dbraw/zinc/06/17/24/227061724.db2.gz JXXQOOGFWOLHKR-CQSZACIVSA-N 0 0 306.369 2.047 10 30 DEEERN Cn1ccc2ccc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc21 ZINC000373112731 227104485 /nfs/dbraw/zinc/10/44/85/227104485.db2.gz NCLSHDISFBOWPH-INIZCTEOSA-N 0 0 323.400 2.382 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C ZINC000291456146 222399727 /nfs/dbraw/zinc/39/97/27/222399727.db2.gz CZNHCGZGOMMDNY-SNVBAGLBSA-N 0 0 303.362 2.123 10 30 DEEERN N#CC1CCC(CNC(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC000374203741 227128520 /nfs/dbraw/zinc/12/85/20/227128520.db2.gz FJMCGJVMLJJSRB-DQPZFDDXSA-N 0 0 319.449 2.076 10 30 DEEERN C[C@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C1CCCCC1 ZINC000377881321 227204484 /nfs/dbraw/zinc/20/44/84/227204484.db2.gz WFBZVQSRIYBFIN-BBRMVZONSA-N 0 0 304.438 2.337 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Br)o1 ZINC000408217518 227229115 /nfs/dbraw/zinc/22/91/15/227229115.db2.gz ZBJDGQXNMFLSJZ-YUMQZZPRSA-N 0 0 319.180 2.013 10 30 DEEERN N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000408336504 227232040 /nfs/dbraw/zinc/23/20/40/227232040.db2.gz AVVHVWLEVOAUIS-LDYMZIIASA-N 0 0 302.758 2.450 10 30 DEEERN Cc1ccccc1CC1CN(C(=O)Nc2nn(C)cc2C#N)C1 ZINC000610634310 422471746 /nfs/dbraw/zinc/47/17/46/422471746.db2.gz AZGBKBGJKANAPE-UHFFFAOYSA-N 0 0 309.373 2.307 10 30 DEEERN CNC(=O)[C@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)n1 ZINC000619697259 422531543 /nfs/dbraw/zinc/53/15/43/422531543.db2.gz RWEGVCJJTGUFOR-WPRPVWTQSA-N 0 0 312.295 2.299 10 30 DEEERN C=CCn1cc(CNc2nccn3nc(C4CCC4)cc23)nn1 ZINC000631308449 422676672 /nfs/dbraw/zinc/67/66/72/422676672.db2.gz BYTUCYYAENSPDW-UHFFFAOYSA-N 0 0 309.377 2.386 10 30 DEEERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCCCC#N)C1=O ZINC000192803544 424865752 /nfs/dbraw/zinc/86/57/52/424865752.db2.gz FBIQJFUSRDMYBO-OAHLLOKOSA-N 0 0 316.317 2.056 10 30 DEEERN C=C(C)Cn1c(Nc2cnn(C)c2)nnc1-c1scnc1C ZINC000577372580 424953580 /nfs/dbraw/zinc/95/35/80/424953580.db2.gz GJSBHDNBNYBHHJ-UHFFFAOYSA-N 0 0 315.406 2.763 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCOC[C@H]2CC2CCC2)s1 ZINC000582767195 424981286 /nfs/dbraw/zinc/98/12/86/424981286.db2.gz QBNMPDLSWULUOC-CYBMUJFWSA-N 0 0 321.446 2.772 10 30 DEEERN C=CCCn1cc(C(=O)Nc2cc(C)n([C@@H](C)C3CC3)n2)nn1 ZINC000424765527 424993873 /nfs/dbraw/zinc/99/38/73/424993873.db2.gz SLNPANJLWDIZPM-LBPRGKRZSA-N 0 0 314.393 2.582 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000597863778 425035009 /nfs/dbraw/zinc/03/50/09/425035009.db2.gz IHOROQXZAOTNIV-DGCLKSJQSA-N 0 0 318.377 2.896 10 30 DEEERN C=CCOc1ccc(CNc2ncn(CC(F)(F)F)n2)cc1 ZINC000446883283 425052103 /nfs/dbraw/zinc/05/21/03/425052103.db2.gz JOPDAUMHZUNCFR-UHFFFAOYSA-N 0 0 312.295 3.017 10 30 DEEERN C=CCNC(=O)c1ccc(NC[C@H]2CCO[C@@H](C(C)C)C2)nc1 ZINC000450734254 425079386 /nfs/dbraw/zinc/07/93/86/425079386.db2.gz BRWWLPLQELWENH-GOEBONIOSA-N 0 0 317.433 2.861 10 30 DEEERN C=CCNc1ncc(C(=O)NC[C@@H]2CCO[C@H](C(C)C)C2)s1 ZINC000452828893 425086990 /nfs/dbraw/zinc/08/69/90/425086990.db2.gz KOJKDTVVFRUFMG-OLZOCXBDSA-N 0 0 323.462 2.922 10 30 DEEERN COC(=O)COc1cccc(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000531384420 267365368 /nfs/dbraw/zinc/36/53/68/267365368.db2.gz YJUXGUKBRMXBDH-UHFFFAOYSA-N 0 0 324.336 2.291 10 30 DEEERN COc1ccc(CCNC(=O)c2cc(C#N)cn2C)cc1F ZINC000177144825 267553473 /nfs/dbraw/zinc/55/34/73/267553473.db2.gz UIMCDQVNWSCVKV-UHFFFAOYSA-N 0 0 301.321 2.017 10 30 DEEERN N#Cc1c(F)cccc1C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000186980184 267656786 /nfs/dbraw/zinc/65/67/86/267656786.db2.gz WLOUVPFFMZNTCG-UHFFFAOYSA-N 0 0 311.272 2.281 10 30 DEEERN Cc1cnccc1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000188831797 267682940 /nfs/dbraw/zinc/68/29/40/267682940.db2.gz RFKOACGKKZNFRL-UHFFFAOYSA-N 0 0 321.789 2.394 10 30 DEEERN N#Cc1ccc(NC(=O)CN2CCC(=O)Nc3ccccc32)cc1 ZINC000174163877 268139004 /nfs/dbraw/zinc/13/90/04/268139004.db2.gz DHJAKUQOFOYGSX-UHFFFAOYSA-N 0 0 320.352 2.346 10 30 DEEERN N#Cc1ccc(OCCNC(=O)NCc2ccsc2)cc1 ZINC000175093782 268175218 /nfs/dbraw/zinc/17/52/18/268175218.db2.gz URUCNWZJLLDPKG-UHFFFAOYSA-N 0 0 301.371 2.498 10 30 DEEERN N#Cc1cccc(CC(=O)NCc2ccc(N3CCCC3)nc2)c1 ZINC000530910208 268276163 /nfs/dbraw/zinc/27/61/63/268276163.db2.gz SGCAONJKKDWURX-UHFFFAOYSA-N 0 0 320.396 2.412 10 30 DEEERN CCC[C@@H](CNC(=O)Cc1cccc(C#N)c1)C(=O)OCC ZINC000516847338 269370077 /nfs/dbraw/zinc/37/00/77/269370077.db2.gz RMMTXOBHUNBMOU-HNNXBMFYSA-N 0 0 302.374 2.196 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000358807135 277784483 /nfs/dbraw/zinc/78/44/83/277784483.db2.gz OXSOUDGBYDXPDK-OLZOCXBDSA-N 0 0 305.426 2.068 10 30 DEEERN CC1(C)C[C@@H](NC(=O)N[C@H]2[C@@H]3COC[C@@H]32)c2ccccc2O1 ZINC000329987970 278359392 /nfs/dbraw/zinc/35/93/92/278359392.db2.gz GRGFJNCGNZVNJS-COMQUAJESA-N 0 0 302.374 2.437 10 30 DEEERN CCO[C@@H]1C[C@@H](NC(=O)C#Cc2ccccc2)C12CCOCC2 ZINC000187149293 279804949 /nfs/dbraw/zinc/80/49/49/279804949.db2.gz FHGGROCTEFVFJB-IAGOWNOFSA-N 0 0 313.397 2.129 10 30 DEEERN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1S(=O)(=O)CCCC#N ZINC000159455084 288390749 /nfs/dbraw/zinc/39/07/49/288390749.db2.gz CXNLRRZLCMARSJ-IJEWVQPXSA-N 0 0 322.430 2.470 10 30 DEEERN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(C#N)cc1 ZINC000287065856 293692656 /nfs/dbraw/zinc/69/26/56/293692656.db2.gz WBKBRKHUEUOIDB-BRWVUGGUSA-N 0 0 314.385 2.214 10 30 DEEERN N#Cc1c(N)nc(N2CCCCC2)c(C#N)c1C1(C#N)CCC1 ZINC000025777653 294863785 /nfs/dbraw/zinc/86/37/85/294863785.db2.gz BXAYQNMSXHOMQT-UHFFFAOYSA-N 0 0 306.373 2.343 10 30 DEEERN N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CCCOCC2)CC1 ZINC000365837645 294971385 /nfs/dbraw/zinc/97/13/85/294971385.db2.gz WVFMHRMXKKZXIH-OAHLLOKOSA-N 0 0 313.401 2.024 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000247158309 301075989 /nfs/dbraw/zinc/07/59/89/301075989.db2.gz ZHIWMWMBASZTDM-HUUCEWRRSA-N 0 0 320.414 2.199 10 30 DEEERN N#C[C@H]1CN(c2nnc(C3CC3)o2)C[C@@]12C(=O)Nc1ccccc12 ZINC000329380136 303169933 /nfs/dbraw/zinc/16/99/33/303169933.db2.gz NFOIDMCECXHCLY-APPDUMDISA-N 0 0 321.340 2.446 10 30 DEEERN O=C(N[C@@H]1CCCOc2c(F)cccc21)N1CC(O)(C2CC2)C1 ZINC000329590811 303510197 /nfs/dbraw/zinc/51/01/97/303510197.db2.gz ZSEIROXXVOIHBF-CQSZACIVSA-N 0 0 320.364 2.410 10 30 DEEERN C=CCCC(=O)N(C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000557030471 331764144 /nfs/dbraw/zinc/76/41/44/331764144.db2.gz GENKLEZNBNJQFH-UHFFFAOYSA-N 0 0 310.423 2.100 10 30 DEEERN CC(C)(C)C(=O)NCc1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000119732065 332280783 /nfs/dbraw/zinc/28/07/83/332280783.db2.gz YXAIZEQVBOENQY-HNNXBMFYSA-N 0 0 313.401 2.381 10 30 DEEERN C=CCN1CC[C@H](n2cnc3c(Cl)scc3c2=O)C1=O ZINC000564960443 332301103 /nfs/dbraw/zinc/30/11/03/332301103.db2.gz DVYUVQWKOWBAPY-VIFPVBQESA-N 0 0 309.778 2.071 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1cnc2onc(C(C)C)c2c1 ZINC000560334920 332331412 /nfs/dbraw/zinc/33/14/12/332331412.db2.gz JNNGXXKOAMYTOB-OLZOCXBDSA-N 0 0 301.346 2.420 10 30 DEEERN C=CCC1(C(=O)N[C@@H](c2cnn(C)c2)C2(CO)CCC2)CCC1 ZINC000560658612 332374646 /nfs/dbraw/zinc/37/46/46/332374646.db2.gz KWJMUCDABYRYAN-HNNXBMFYSA-N 0 0 317.433 2.486 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@H]1CCO[C@H](C(C)C)C1 ZINC000583392029 332382326 /nfs/dbraw/zinc/38/23/26/332382326.db2.gz RGRFAAQIKNDCCJ-GJZGRUSLSA-N 0 0 310.438 2.169 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1sc(C)cc1C ZINC000563020156 333063611 /nfs/dbraw/zinc/06/36/11/333063611.db2.gz BUWVPDWBWKPOQT-RYUDHWBXSA-N 0 0 301.433 2.234 10 30 DEEERN COC(=O)c1ccc(CNC(=O)c2cccc(F)c2C#N)cc1 ZINC000189432525 333086975 /nfs/dbraw/zinc/08/69/75/333086975.db2.gz AKESWWKVUFFNMR-UHFFFAOYSA-N 0 0 312.300 2.414 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@H](C)c1ccncc1OC ZINC000571537252 333815181 /nfs/dbraw/zinc/81/51/81/333815181.db2.gz FBUGHIZCODZCDD-CYBMUJFWSA-N 0 0 319.405 2.130 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)NCc1ccc2ccccc2n1 ZINC000340046974 334114447 /nfs/dbraw/zinc/11/44/47/334114447.db2.gz NGSVAXUYFPFWST-UHFFFAOYSA-N 0 0 309.369 2.052 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(Br)c(F)c1F ZINC000529024317 334180212 /nfs/dbraw/zinc/18/02/12/334180212.db2.gz DSWPMSJLVSEKQN-SSDOTTSWSA-N 0 0 320.133 2.394 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N(c2cc(CC)ccc2CC)C1=O ZINC000340797928 334386131 /nfs/dbraw/zinc/38/61/31/334386131.db2.gz MYSFWHPEOGYTQO-AWEZNQCLSA-N 0 0 302.374 2.439 10 30 DEEERN CC#CCN(C)C(=O)C(=O)Nc1c(F)cc(Cl)c(C)c1F ZINC000344187683 335228714 /nfs/dbraw/zinc/22/87/14/335228714.db2.gz MTXDZTLZSCDBHB-UHFFFAOYSA-N 0 0 314.719 2.347 10 30 DEEERN CC(=O)NCc1ccc(C(=O)N(CCC#N)CC2CC2)s1 ZINC000103437699 336240766 /nfs/dbraw/zinc/24/07/66/336240766.db2.gz DWPOQXFDMZGCSX-UHFFFAOYSA-N 0 0 305.403 2.150 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000361490320 336758999 /nfs/dbraw/zinc/75/89/99/336758999.db2.gz KGKRWCRZTSENNW-LLVKDONJSA-N 0 0 318.339 2.354 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N(CC)Cc1ccccn1 ZINC000583703670 337092290 /nfs/dbraw/zinc/09/22/90/337092290.db2.gz FTQBMPVNCNSLQM-UHFFFAOYSA-N 0 0 303.406 2.293 10 30 DEEERN Cc1nc(C[C@H]2CCCN(C(=O)C#Cc3ccccc3)C2)no1 ZINC000176220500 337149600 /nfs/dbraw/zinc/14/96/00/337149600.db2.gz QNIWAARZLFMOKD-MRXNPFEDSA-N 0 0 309.369 2.211 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CO[C@@H](C)C1 ZINC000583750159 337329139 /nfs/dbraw/zinc/32/91/39/337329139.db2.gz ZEVHZFFNEDKVEM-GXTWGEPZSA-N 0 0 319.361 2.470 10 30 DEEERN N#Cc1cccc(-c2c[nH]c3nccc(N4CCOCC4)c23)n1 ZINC000584628483 337376258 /nfs/dbraw/zinc/37/62/58/337376258.db2.gz IQUQFZSTWFIGBO-UHFFFAOYSA-N 0 0 305.341 2.333 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000135385503 337451587 /nfs/dbraw/zinc/45/15/87/337451587.db2.gz SJXNNTXKSBAKDA-CZUORRHYSA-N 0 0 305.374 2.273 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)CNc1cc(CO)ccc1Cl ZINC000121739923 337898615 /nfs/dbraw/zinc/89/86/15/337898615.db2.gz FWSALFTWZYHLPZ-NSHDSACASA-N 0 0 309.797 2.252 10 30 DEEERN C=CCCCCCNC(=O)Cn1nnnc1-c1ccsc1 ZINC000516083137 338004190 /nfs/dbraw/zinc/00/41/90/338004190.db2.gz NISDPICOXNOTAM-UHFFFAOYSA-N 0 0 305.407 2.264 10 30 DEEERN C=CCOc1ccc(CN(CC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000505563405 340171176 /nfs/dbraw/zinc/17/11/76/340171176.db2.gz FJUCWTZQCPNJAK-OAHLLOKOSA-N 0 0 309.431 2.260 10 30 DEEERN C=CCNC(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000505740955 340176383 /nfs/dbraw/zinc/17/63/83/340176383.db2.gz YSVLZENZMRZWKH-ZDUSSCGKSA-N 0 0 320.393 2.386 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1cc(S(=O)(=O)NC)ccc1C ZINC000184233624 340491428 /nfs/dbraw/zinc/49/14/28/340491428.db2.gz QYQFHIXGXDTDCI-LBPRGKRZSA-N 0 0 310.419 2.444 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ncc2c(F)cccn21 ZINC000529246726 340750097 /nfs/dbraw/zinc/75/00/97/340750097.db2.gz NNQVTQAMBCXHSI-FZMZJTMJSA-N 0 0 303.337 2.184 10 30 DEEERN C=CCn1cc(CNC(=O)c2ccsc2C(F)(F)F)nn1 ZINC000529501461 340758073 /nfs/dbraw/zinc/75/80/73/340758073.db2.gz HPCUHVZOAUEQCI-UHFFFAOYSA-N 0 0 316.308 2.474 10 30 DEEERN C=C[C@@H](O)C(=O)N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000529636289 340765928 /nfs/dbraw/zinc/76/59/28/340765928.db2.gz IJZVWMPKIBTAEJ-CQSZACIVSA-N 0 0 319.405 2.055 10 30 DEEERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000134735819 341222876 /nfs/dbraw/zinc/22/28/76/341222876.db2.gz FTHNHUSLSRXLOB-CYBMUJFWSA-N 0 0 305.422 2.080 10 30 DEEERN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C)(C#N)CC1 ZINC000549736334 341301757 /nfs/dbraw/zinc/30/17/57/341301757.db2.gz PHFWYQWLBGAULJ-CQSZACIVSA-N 0 0 315.421 2.488 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1nnc2ccccn21)C(C)C ZINC000556134932 341495327 /nfs/dbraw/zinc/49/53/27/341495327.db2.gz LNWAEKCAGKVOLR-VNHYZAJKSA-N 0 0 314.389 2.134 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](c1ccccc1)n1cccn1 ZINC000564860441 341511651 /nfs/dbraw/zinc/51/16/51/341511651.db2.gz NHAVRFJYXSTFEJ-ULQDDVLXSA-N 0 0 311.385 2.180 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1c(C)nn(C(F)F)c1C ZINC000566119604 341548162 /nfs/dbraw/zinc/54/81/62/341548162.db2.gz GONLICQHMAANPS-AAEUAGOBSA-N 0 0 313.348 2.145 10 30 DEEERN N#C[C@@H](NC(=O)COc1ccccc1Br)C1CC1 ZINC000154725183 341595296 /nfs/dbraw/zinc/59/52/96/341595296.db2.gz MHQGCAIMBYIKAB-LLVKDONJSA-N 0 0 309.163 2.246 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCCC12CCOCC2 ZINC000567380283 341600273 /nfs/dbraw/zinc/60/02/73/341600273.db2.gz PMHMQRWBKKCULX-KKUMJFAQSA-N 0 0 308.422 2.226 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000568357777 341667941 /nfs/dbraw/zinc/66/79/41/341667941.db2.gz KTPSELYZXCQJJD-KSYCFECVSA-N 0 0 314.385 2.354 10 30 DEEERN C=CCNC(=O)Nc1ccc(NC(=O)CN2CC(C)(C)C2)cc1 ZINC000577765484 341935394 /nfs/dbraw/zinc/93/53/94/341935394.db2.gz BLVHEJLGOIDFKQ-UHFFFAOYSA-N 0 0 316.405 2.274 10 30 DEEERN C=C1C(=O)O[C@@H]2[C@H]3O[C@]3(C)CCC=C(C)C[C@@H](OC(C)=O)[C@@H]12 ZINC000936069332 782136394 /nfs/dbraw/zinc/13/63/94/782136394.db2.gz ODYJJNFWFYUXSS-OWVAZHOYSA-N 0 0 306.358 2.304 10 30 in-vitro DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)C1CCOCC1 ZINC000135916996 500890830 /nfs/dbraw/zinc/89/08/30/500890830.db2.gz BQEMPMSJYAJFTD-CHWSQXEVSA-N 0 0 302.374 2.257 10 30 DEEERN CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)OC ZINC000186501832 534917784 /nfs/dbraw/zinc/91/77/84/534917784.db2.gz XAQKRPYNBRNQCF-TZMCWYRMSA-N 0 0 318.373 2.174 10 30 DEEERN C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@H](CO)O1 ZINC000191132834 533862572 /nfs/dbraw/zinc/86/25/72/533862572.db2.gz DMUHETLHLOMONT-SWLSCSKDSA-N 0 0 317.389 2.101 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)NCc1cc(C(N)=O)co1 ZINC000187992085 517331708 /nfs/dbraw/zinc/33/17/08/517331708.db2.gz VQIDTDNFUDSPON-UHFFFAOYSA-N 0 0 319.386 2.338 10 30 DEEERN C=CCc1ccc(OCC(=O)N(C(C)C)C2COC2)c(OC)c1 ZINC000452581985 534417898 /nfs/dbraw/zinc/41/78/98/534417898.db2.gz DXVBPECSVAPQDQ-UHFFFAOYSA-N 0 0 319.401 2.438 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N(CCC)CCC ZINC000453432027 534426214 /nfs/dbraw/zinc/42/62/14/534426214.db2.gz VHGWUXARVPZRMK-UHFFFAOYSA-N 0 0 303.414 2.194 10 30 DEEERN C=CCn1c(N2CCSC[C@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000453447001 534443278 /nfs/dbraw/zinc/44/32/78/534443278.db2.gz WZDMPVGVGWEWOA-IUODEOHRSA-N 0 0 308.451 2.431 10 30 DEEERN Cc1ccc2cccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2n1 ZINC000365490828 534476331 /nfs/dbraw/zinc/47/63/31/534476331.db2.gz YJRXCOKHNMLCRD-MRXNPFEDSA-N 0 0 320.396 2.356 10 30 DEEERN Cc1nc([C@@H]2CCCN2CC(=O)N[C@@](C)(C#N)C2CC2)cs1 ZINC000189791784 534570461 /nfs/dbraw/zinc/57/04/61/534570461.db2.gz YPLRARLGKUQYBX-HOCLYGCPSA-N 0 0 318.446 2.397 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457834786 534570695 /nfs/dbraw/zinc/57/06/95/534570695.db2.gz SICROIBLEFODFQ-CABCVRRESA-N 0 0 303.358 2.245 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000454909704 534606032 /nfs/dbraw/zinc/60/60/32/534606032.db2.gz VOSJIBSSLRHWFK-CABCVRRESA-N 0 0 303.362 2.134 10 30 DEEERN COc1cc(OC)cc(OCCCNc2cnc(C#N)cn2)c1 ZINC000126748874 522869041 /nfs/dbraw/zinc/86/90/41/522869041.db2.gz AYEBWSPYPVMGSC-UHFFFAOYSA-N 0 0 314.345 2.246 10 30 DEEERN O=C(NCCNC(=O)[C@@H]1[C@@H]2CCCO[C@H]12)NC1CCCCC1 ZINC000329322751 534749848 /nfs/dbraw/zinc/74/98/48/534749848.db2.gz JQYLPVXNOPKGCQ-MJBXVCDLSA-N 0 0 309.410 2.204 10 30 DEEERN N#Cc1ccc(N2CCC[C@@H](Oc3ccc(Cl)cn3)C2)nn1 ZINC000301912121 534788989 /nfs/dbraw/zinc/78/89/89/534788989.db2.gz BVBGLGBOLVVSQX-CYBMUJFWSA-N 0 0 315.764 2.444 10 30 DEEERN C=CCC[C@@H](NC(=O)c1cccc2nccnc21)C(=O)OCC ZINC000456613022 534792656 /nfs/dbraw/zinc/79/26/56/534792656.db2.gz SOHFINWJIJPZLT-CQSZACIVSA-N 0 0 313.357 2.258 10 30 DEEERN Cc1csc(C2(N[C@H](C)C(=O)N(C)CCC#N)CCC2)n1 ZINC000264835446 534797320 /nfs/dbraw/zinc/79/73/20/534797320.db2.gz DXRRFQZNPHPZMH-GFCCVEGCSA-N 0 0 306.435 2.181 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000413886181 526289118 /nfs/dbraw/zinc/28/91/18/526289118.db2.gz VFTWEPVJWIKGRI-OAHLLOKOSA-N 0 0 321.396 2.248 10 30 DEEERN C=CCN(Cc1ccccc1F)S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000135537162 526366202 /nfs/dbraw/zinc/36/62/02/526366202.db2.gz QSSZVCDKWSLHKM-SWLSCSKDSA-N 0 0 313.394 2.321 10 30 DEEERN C=C(C)C(C)(C)C(=O)N1CCN(c2ccc(OC)cn2)CC1 ZINC000424861285 526431001 /nfs/dbraw/zinc/43/10/01/526431001.db2.gz DKUKDTOVWSHJLV-UHFFFAOYSA-N 0 0 303.406 2.341 10 30 DEEERN CC(=O)CN(CC(C)C)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000421889705 526433239 /nfs/dbraw/zinc/43/32/39/526433239.db2.gz NFEIEODMFIXNAN-AWEZNQCLSA-N 0 0 302.374 2.399 10 30 DEEERN C=CCN1CC[C@H](N[C@@H](c2nccs2)C(F)(F)F)C1=O ZINC000292942931 526515024 /nfs/dbraw/zinc/51/50/24/526515024.db2.gz JZOLZNAGOLELPK-IUCAKERBSA-N 0 0 305.325 2.123 10 30 DEEERN CC(=O)N1CC[C@@H](NC(=O)NCc2ccc(C(F)F)cc2)C1 ZINC000330905568 526649179 /nfs/dbraw/zinc/64/91/79/526649179.db2.gz UYSPUJORZAHOBW-CYBMUJFWSA-N 0 0 311.332 2.249 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCc2ccc(C(C)=O)cc2CC1 ZINC000376989183 526673632 /nfs/dbraw/zinc/67/36/32/526673632.db2.gz UMCVGOUTNJCRSQ-UHFFFAOYSA-N 0 0 307.393 2.479 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000248558229 526676984 /nfs/dbraw/zinc/67/69/84/526676984.db2.gz MDMZDJAUEHNFMM-JKSUJKDBSA-N 0 0 309.431 2.480 10 30 DEEERN C#CCCCCNC(=O)N1CCO[C@H](c2nc(C)cs2)C1 ZINC000194321196 526699725 /nfs/dbraw/zinc/69/97/25/526699725.db2.gz BZBSONPGJMRQAQ-ZDUSSCGKSA-N 0 0 307.419 2.338 10 30 DEEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC000338809404 526719645 /nfs/dbraw/zinc/71/96/45/526719645.db2.gz UYFJYLRTSQSGKK-LBPRGKRZSA-N 0 0 316.361 2.114 10 30 DEEERN C#CCCOc1ccc(C(=O)N[C@@H](CC)[C@H](O)C(F)F)cc1 ZINC000295581042 526741899 /nfs/dbraw/zinc/74/18/99/526741899.db2.gz WNHLRCZXABLTRY-KBPBESRZSA-N 0 0 311.328 2.223 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(CC)C1CC(C)(C)C1 ZINC000422427031 526766201 /nfs/dbraw/zinc/76/62/01/526766201.db2.gz CMUQWAPTIACAEU-HIFRSBDPSA-N 0 0 322.449 2.121 10 30 DEEERN C=CCOCCNC(=O)N1CCSC[C@H]1c1nccs1 ZINC000372152809 526776788 /nfs/dbraw/zinc/77/67/88/526776788.db2.gz NDMSYKQQZGSMCX-NSHDSACASA-N 0 0 313.448 2.145 10 30 DEEERN C=CCOCCNC(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000374826375 526776946 /nfs/dbraw/zinc/77/69/46/526776946.db2.gz LKVQUQKWTRBTJL-HNNXBMFYSA-N 0 0 308.353 2.111 10 30 DEEERN C=CCOCCNC(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000374826378 526776974 /nfs/dbraw/zinc/77/69/74/526776974.db2.gz LKVQUQKWTRBTJL-OAHLLOKOSA-N 0 0 308.353 2.111 10 30 DEEERN C#CCN(C(=O)[C@@H]1CN(C)C(=O)c2ccccc21)C1CCCC1 ZINC000373372740 526777739 /nfs/dbraw/zinc/77/77/39/526777739.db2.gz JORGYXSJTFIAKA-QGZVFWFLSA-N 0 0 310.397 2.260 10 30 DEEERN C=CCOCCNC(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000371643314 526779423 /nfs/dbraw/zinc/77/94/23/526779423.db2.gz VUXRPXPZVSARAN-HNNXBMFYSA-N 0 0 303.406 2.157 10 30 DEEERN C=CCOCCNC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000371646857 526781135 /nfs/dbraw/zinc/78/11/35/526781135.db2.gz QCWDGMOHDNYHBP-INIZCTEOSA-N 0 0 316.401 2.000 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CO)c1sccc1C ZINC000437939088 526798744 /nfs/dbraw/zinc/79/87/44/526798744.db2.gz ZGDXLFIKAHRDII-IHRRRGAJSA-N 0 0 324.446 2.370 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)OCC ZINC000339370673 526807579 /nfs/dbraw/zinc/80/75/79/526807579.db2.gz BNTVDCPZYQFCGG-CVEARBPZSA-N 0 0 322.449 2.219 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCC[C@H](NC(=O)C(C)C)C1)OCC ZINC000339200571 526808590 /nfs/dbraw/zinc/80/85/90/526808590.db2.gz TWCSSERTPCHHSW-GJZGRUSLSA-N 0 0 310.438 2.121 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@H](C)Cc1c(C)nn(C)c1C)OCC ZINC000339359704 526815657 /nfs/dbraw/zinc/81/56/57/526815657.db2.gz JTAPQYKBVSEKNJ-WBMJQRKESA-N 0 0 307.438 2.455 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCO)Cc1ccc(C)o1 ZINC000438454632 526830500 /nfs/dbraw/zinc/83/05/00/526830500.db2.gz LJEXRRPSUFRFEK-GDBMZVCRSA-N 0 0 322.405 2.073 10 30 DEEERN C=CCOc1ccc(CN2CCN3CCOC[C@H]3C2)cc1Cl ZINC000368814610 526869132 /nfs/dbraw/zinc/86/91/32/526869132.db2.gz UQOLUOGPVLYYIS-OAHLLOKOSA-N 0 0 322.836 2.421 10 30 DEEERN C=CCOc1ccc(CNC(=O)N2C[C@H](O)CC[C@H]2C)cc1 ZINC000420873996 526877731 /nfs/dbraw/zinc/87/77/31/526877731.db2.gz YFKVXKZFOFPKQF-UKRRQHHQSA-N 0 0 304.390 2.306 10 30 DEEERN C=CCOc1ccccc1C(=O)NCC[C@@H](O)C(F)(F)F ZINC000337041866 526927015 /nfs/dbraw/zinc/92/70/15/526927015.db2.gz MVNQOXGWWBCJLG-GFCCVEGCSA-N 0 0 303.280 2.295 10 30 DEEERN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000295787110 526946516 /nfs/dbraw/zinc/94/65/16/526946516.db2.gz UTTSKLPXJNDSHR-CQSZACIVSA-N 0 0 304.365 2.255 10 30 DEEERN C=CCC1(C(=O)N2CC[S@](=O)C(C)(C)CC2)CCOCC1 ZINC000424867540 527048664 /nfs/dbraw/zinc/04/86/64/527048664.db2.gz GYJLXCUFIBHOFA-NRFANRHFSA-N 0 0 313.463 2.119 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(-c2ccnn2C)ccc1C ZINC000282027625 527094540 /nfs/dbraw/zinc/09/45/40/527094540.db2.gz SUDXXEIUQDJHOE-AWEZNQCLSA-N 0 0 314.389 2.454 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cn(-c2ccccc2)nc1C ZINC000184196793 527095368 /nfs/dbraw/zinc/09/53/68/527095368.db2.gz HNIAGSKJTYWYGS-ZDUSSCGKSA-N 0 0 300.362 2.239 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccnn1Cc1ccc(F)cc1 ZINC000189419458 527095408 /nfs/dbraw/zinc/09/54/08/527095408.db2.gz GTMOXYPJMKHZJA-AWEZNQCLSA-N 0 0 318.352 2.129 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(CCCOC(C)=O)c1 ZINC000192430835 527096023 /nfs/dbraw/zinc/09/60/23/527096023.db2.gz IHHZUPROGDRLLN-INIZCTEOSA-N 0 0 320.389 2.241 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccccc1OCc1cscn1 ZINC000337047150 527100745 /nfs/dbraw/zinc/10/07/45/527100745.db2.gz GSAZCUZRGXPUMA-LBPRGKRZSA-N 0 0 318.398 2.389 10 30 DEEERN C=CCCCCNC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000372167201 527143640 /nfs/dbraw/zinc/14/36/40/527143640.db2.gz PKFNMOWZVSTRCA-UHFFFAOYSA-N 0 0 302.374 2.423 10 30 DEEERN C=CCCCCNC(=O)N1C[C@@H](OC)C[C@H]1CC(=O)OCC ZINC000369964128 527153829 /nfs/dbraw/zinc/15/38/29/527153829.db2.gz KMWSRQWIMQJOGO-KBPBESRZSA-N 0 0 312.410 2.095 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC2(C1)CCOCC2 ZINC000368065600 527160322 /nfs/dbraw/zinc/16/03/22/527160322.db2.gz PJENIMLXDUFWLN-KRWDZBQOSA-N 0 0 312.413 2.443 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCOC1(C)C ZINC000296738603 527161320 /nfs/dbraw/zinc/16/13/20/527161320.db2.gz XNNBHSFYTMAODB-JKSUJKDBSA-N 0 0 300.402 2.488 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)CCOc1ccc(C)cc1 ZINC000297984230 527172271 /nfs/dbraw/zinc/17/22/71/527172271.db2.gz YSUWBQUGHPYDBA-UHFFFAOYSA-N 0 0 318.417 2.257 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@]1(O)CCC[C@H]1C ZINC000298123151 527173120 /nfs/dbraw/zinc/17/31/20/527173120.db2.gz YGCTUDIYKRSMGA-SUMDDJOVSA-N 0 0 314.429 2.471 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCCN1C(C)=O ZINC000286079234 527173851 /nfs/dbraw/zinc/17/38/51/527173851.db2.gz ADMCEUYUYWQMPC-QZTJIDSGSA-N 0 0 312.413 2.138 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCC[C@@H](CO)C1 ZINC000298134794 527173973 /nfs/dbraw/zinc/17/39/73/527173973.db2.gz BTWMVNFARNTOFR-KURKYZTESA-N 0 0 314.429 2.471 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000410760104 527174629 /nfs/dbraw/zinc/17/46/29/527174629.db2.gz IQJHMPMVTQAIEB-MRXNPFEDSA-N 0 0 322.449 2.361 10 30 DEEERN C=CC[C@H](CO)CNC(=O)Nc1ccc(OC)c(OC)c1OC ZINC000341691376 527178345 /nfs/dbraw/zinc/17/83/45/527178345.db2.gz FYOJKJIHAAMNFO-NSHDSACASA-N 0 0 324.377 2.019 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](CCCO)c1ccccc1 ZINC000288475921 527178937 /nfs/dbraw/zinc/17/89/37/527178937.db2.gz PTIGQGHDLBWFCI-MRXNPFEDSA-N 0 0 318.417 2.041 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000342158639 527184527 /nfs/dbraw/zinc/18/45/27/527184527.db2.gz IRTQARDEZBBSKU-NSHDSACASA-N 0 0 321.327 2.065 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC ZINC000342498754 527193847 /nfs/dbraw/zinc/19/38/47/527193847.db2.gz BVSYWXITJXULFD-UHFFFAOYSA-N 0 0 324.402 2.201 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(OC(F)F)cc1F ZINC000283575467 527202806 /nfs/dbraw/zinc/20/28/06/527202806.db2.gz VZKOLHAPEUQATD-MRVPVSSYSA-N 0 0 304.268 2.486 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000448373952 527209179 /nfs/dbraw/zinc/20/91/79/527209179.db2.gz IRACKZAUCFSBEA-UHFFFAOYSA-N 0 0 317.389 2.424 10 30 DEEERN C=CC[C@H]1N(C(=O)C(=O)N(C)C[C@H]2CCCO2)CCCC1(C)C ZINC000411002588 527223213 /nfs/dbraw/zinc/22/32/13/527223213.db2.gz KHRWQFQPPVZWIT-HUUCEWRRSA-N 0 0 322.449 2.217 10 30 DEEERN CC(=O)c1ccc(C#N)cc1NCCCCN1CCOCC1 ZINC000302054311 527231186 /nfs/dbraw/zinc/23/11/86/527231186.db2.gz PUPFJTAZXGIQJE-UHFFFAOYSA-N 0 0 301.390 2.285 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N(C)CCc1cnccn1 ZINC000337909476 527279325 /nfs/dbraw/zinc/27/93/25/527279325.db2.gz OXJRSRJLFVYXEH-UHFFFAOYSA-N 0 0 310.361 2.193 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N1CCC(c2ccc(C)nc2)CC1 ZINC000410796233 527299393 /nfs/dbraw/zinc/29/93/93/527299393.db2.gz FUSHXVJOMPPRTG-UHFFFAOYSA-N 0 0 315.417 2.131 10 30 DEEERN C#C[C@H](C)NC(=O)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000190238353 527337629 /nfs/dbraw/zinc/33/76/29/527337629.db2.gz CQLQXDFSPYENGV-JTQLQIEISA-N 0 0 308.765 2.204 10 30 DEEERN C=CCCOCCNC(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000413403308 527358101 /nfs/dbraw/zinc/35/81/01/527358101.db2.gz NRBITYJZFOXSKI-HNNXBMFYSA-N 0 0 321.396 2.296 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000357714936 527383841 /nfs/dbraw/zinc/38/38/41/527383841.db2.gz KALWQPOONDRBNW-HOCLYGCPSA-N 0 0 316.401 2.279 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249521006 527394983 /nfs/dbraw/zinc/39/49/83/527394983.db2.gz VGYZXFRCKZHUAB-VHDGCEQUSA-N 0 0 309.431 2.264 10 30 DEEERN C=CCCO[C@H](C)C(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000368731048 527404225 /nfs/dbraw/zinc/40/42/25/527404225.db2.gz BINNZQCNMIIHCD-SECBINFHSA-N 0 0 307.379 2.156 10 30 DEEERN C#Cc1ccccc1CC(=O)N(C)[C@@H](CC(C)C)C(=O)OC ZINC000294611404 527459516 /nfs/dbraw/zinc/45/95/16/527459516.db2.gz JUWCVHJIHIYACH-INIZCTEOSA-N 0 0 301.386 2.257 10 30 DEEERN C=CCC[C@H](C(=O)N1CCO[C@@H]([C@@H](C)O)C1)c1ccccc1 ZINC000412914254 527462670 /nfs/dbraw/zinc/46/26/70/527462670.db2.gz ICQDKXUIQSGFFN-HYVNUMGLSA-N 0 0 303.402 2.345 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](CC)CCCC ZINC000425863106 527491607 /nfs/dbraw/zinc/49/16/07/527491607.db2.gz LMJBVKZZWANMAP-KKUMJFAQSA-N 0 0 310.438 2.026 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](CCO)c1ccccc1 ZINC000425568150 527496013 /nfs/dbraw/zinc/49/60/13/527496013.db2.gz VPOUFYMCHGYGDS-ULQDDVLXSA-N 0 0 318.417 2.043 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NCC[C@@H]1CCOC1 ZINC000337650832 527501373 /nfs/dbraw/zinc/50/13/73/527501373.db2.gz LBPOXNPNVKCWGA-CQSZACIVSA-N 0 0 316.401 2.287 10 30 DEEERN C/C(=C\C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccc(F)cc1 ZINC000370973942 527513429 /nfs/dbraw/zinc/51/34/29/527513429.db2.gz RIYZHSLNNQLBPW-RTGRKSDTSA-N 0 0 313.376 2.428 10 30 DEEERN C=CCN(C)c1nnc(-c2ncccc2C)n1C[C@H]1CCOC1 ZINC000339177050 527578856 /nfs/dbraw/zinc/57/88/56/527578856.db2.gz YWWNDTMVSOBBSH-CQSZACIVSA-N 0 0 313.405 2.307 10 30 DEEERN C=CCN(C)c1nnc(CCc2ccco2)n1C[C@H]1CCOC1 ZINC000339163817 527578863 /nfs/dbraw/zinc/57/88/63/527578863.db2.gz QFAGNSIZHFSQAN-CQSZACIVSA-N 0 0 316.405 2.315 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)C1CCN(C(=O)C(C)C)CC1 ZINC000299322486 527585087 /nfs/dbraw/zinc/58/50/87/527585087.db2.gz XWJKSCUAQSNICA-UHFFFAOYSA-N 0 0 320.355 2.458 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)C(=O)N(C)C[C@@H]1CCCO1 ZINC000410564859 527593093 /nfs/dbraw/zinc/59/30/93/527593093.db2.gz ZOSYNQIJFMJNGR-INIZCTEOSA-N 0 0 322.449 2.219 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NCCCc1c(C)nn(C)c1C ZINC000189732876 527618252 /nfs/dbraw/zinc/61/82/52/527618252.db2.gz LZSUDTLEFNJFPK-QGZVFWFLSA-N 0 0 307.438 2.315 10 30 DEEERN CCC1(NC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CCC1 ZINC000194675524 527773632 /nfs/dbraw/zinc/77/36/32/527773632.db2.gz PFYRXDLGFGOELH-LBPRGKRZSA-N 0 0 315.373 2.365 10 30 DEEERN CCN(CCC#N)C(=O)CN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000195375475 528358345 /nfs/dbraw/zinc/35/83/45/528358345.db2.gz POHLCRAHZFXNEK-CYBMUJFWSA-N 0 0 319.409 2.092 10 30 DEEERN CCC(=O)N1CSC[C@@H]1C(=O)NCC[C@@H]1CCO[C@@H](C)C1 ZINC000329683941 528380877 /nfs/dbraw/zinc/38/08/77/528380877.db2.gz ZJQIBCIRFXPSPC-YNEHKIRRSA-N 0 0 314.451 2.460 10 30 DEEERN CC(C)c1nnc2n1C[C@H](NC(=O)c1cccc(CC#N)c1)CC2 ZINC000195279919 528481222 /nfs/dbraw/zinc/48/12/22/528481222.db2.gz SHXIZOLAGLPKGE-OAHLLOKOSA-N 0 0 323.400 2.212 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)[C@H](C)OCC3CC3)C2)n1 ZINC000328612352 528747122 /nfs/dbraw/zinc/74/71/22/528747122.db2.gz OMBWTTONRFKLBM-SMDDNHRTSA-N 0 0 320.393 2.080 10 30 DEEERN CC1(C#N)CCN(C(=O)NC[C@H]2COC3(CCCC3)O2)CC1 ZINC000371635714 528836514 /nfs/dbraw/zinc/83/65/14/528836514.db2.gz SZNCOZCLOGLTAU-ZDUSSCGKSA-N 0 0 307.394 2.007 10 30 DEEERN CC1(C#N)CCN(C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000369409876 528838292 /nfs/dbraw/zinc/83/82/92/528838292.db2.gz UOTRAMWOUKBMJF-XJKSGUPXSA-N 0 0 323.462 2.376 10 30 DEEERN CC(C)NC(=O)NC1(C(=O)N[C@H]2CCC[C@H]2C#N)CCCCC1 ZINC000408288755 529136627 /nfs/dbraw/zinc/13/66/27/529136627.db2.gz ZZXQITPIGBSJAP-KBPBESRZSA-N 0 0 320.437 2.205 10 30 DEEERN C#CCNC(=O)[C@@H](C)Nc1ccc(OCc2cccnc2)cc1 ZINC000103165331 625358040 /nfs/dbraw/zinc/35/80/40/625358040.db2.gz CMAPBRMYUCTFIZ-CQSZACIVSA-N 0 0 309.369 2.210 10 30 DEEERN C=C[C@H](C)OC(=O)CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000187592547 622836887 /nfs/dbraw/zinc/83/68/87/622836887.db2.gz JTXPVIHKLJIKFE-HNNXBMFYSA-N 0 0 316.401 2.233 10 30 DEEERN C=C[C@@H](C)OC(=O)CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000187592563 622837521 /nfs/dbraw/zinc/83/75/21/622837521.db2.gz JTXPVIHKLJIKFE-OAHLLOKOSA-N 0 0 316.401 2.233 10 30 DEEERN C#CC[C@H](Cc1ccccc1)Nc1nnnn1-c1ccc(C)cc1 ZINC000804808417 623251053 /nfs/dbraw/zinc/25/10/53/623251053.db2.gz SOGAFQFJSHNFHT-QGZVFWFLSA-N 0 0 317.396 2.439 10 30 DEEERN C#CC[C@H](OC(=O)c1cccc(CS(C)(=O)=O)c1)C(C)C ZINC000177739744 625074992 /nfs/dbraw/zinc/07/49/92/625074992.db2.gz GWPPWOUXJQZWHZ-HNNXBMFYSA-N 0 0 308.399 2.436 10 30 DEEERN CCn1cnnc1[C@@H]1CCCN(c2ccc(C#N)cc2CO)C1 ZINC000893066255 625088259 /nfs/dbraw/zinc/08/82/59/625088259.db2.gz SGRFUGOGZRZQHJ-CQSZACIVSA-N 0 0 311.389 2.046 10 30 DEEERN C#C[C@@H](C)OC(=O)CCNS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000157498780 625201939 /nfs/dbraw/zinc/20/19/39/625201939.db2.gz LLRPUBGLICZWQM-CYBMUJFWSA-N 0 0 323.414 2.043 10 30 DEEERN CNC(=O)c1ccc(OC)c(NC(=O)c2ccc(C#N)cc2C)c1 ZINC000161863399 625218999 /nfs/dbraw/zinc/21/89/99/625218999.db2.gz DLROOVXZPWGNRV-UHFFFAOYSA-N 0 0 323.352 2.487 10 30 DEEERN CCO[C@H](C)c1noc(COC(=O)c2sccc2C#N)n1 ZINC000736809643 634516041 /nfs/dbraw/zinc/51/60/41/634516041.db2.gz SGNCTUBQJDVRCR-MRVPVSSYSA-N 0 0 307.331 2.457 10 30 DEEERN N#C[C@H]1CN(C(=O)NCc2coc3ccccc23)CCN1C1CC1 ZINC000734013853 633316302 /nfs/dbraw/zinc/31/63/02/633316302.db2.gz XUSYTPQMAKRSOC-HNNXBMFYSA-N 0 0 324.384 2.315 10 30 DEEERN CCOCCCNC(=O)[C@@H](C#N)C(=O)CCc1ccc(C)cc1 ZINC000124319986 633328415 /nfs/dbraw/zinc/32/84/15/633328415.db2.gz QDLKKAQJSGJKLZ-INIZCTEOSA-N 0 0 316.401 2.179 10 30 DEEERN C=CC[C@H](NC(=O)[C@H]1CSCN1C(=O)CC)c1ccncc1 ZINC000734458373 633375607 /nfs/dbraw/zinc/37/56/07/633375607.db2.gz XYUQMPCXSPSCBI-UONOGXRCSA-N 0 0 319.430 2.127 10 30 DEEERN CCCCN(CC(N)=O)Cc1cc(Cl)ccc1OCC#N ZINC000735308906 633501333 /nfs/dbraw/zinc/50/13/33/633501333.db2.gz XZPQFDQFKQCELS-UHFFFAOYSA-N 0 0 309.797 2.330 10 30 DEEERN Cn1cc(CC(=O)OCc2cc(Cl)ccc2OCC#N)cn1 ZINC000735350414 633503943 /nfs/dbraw/zinc/50/39/43/633503943.db2.gz VRORMQPXJRXNIH-UHFFFAOYSA-N 0 0 319.748 2.262 10 30 DEEERN Cc1noc([C@H](C)OC(=O)[C@H](C)Oc2ccccc2C#N)n1 ZINC000073507484 634101657 /nfs/dbraw/zinc/10/16/57/634101657.db2.gz TWXWUAFBRGOQAQ-UWVGGRQHSA-N 0 0 301.302 2.321 10 30 DEEERN CN(C(=O)NCc1cnnn1C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000329689475 636749142 /nfs/dbraw/zinc/74/91/42/636749142.db2.gz CNCINTMCCBGJBH-MNOVXSKESA-N 0 0 319.331 2.282 10 30 DEEERN CC#CCCCCOC(=O)CCc1c(C)nc2ncnn2c1C ZINC000183964639 637555069 /nfs/dbraw/zinc/55/50/69/637555069.db2.gz LVLOQPHMTHUFHI-UHFFFAOYSA-N 0 0 314.389 2.411 10 30 DEEERN C#CCOc1ccc(NS(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000742030304 638032452 /nfs/dbraw/zinc/03/24/52/638032452.db2.gz WNAGLPWCSXQGBX-ZDUSSCGKSA-N 0 0 308.403 2.087 10 30 DEEERN CN(CC1CCCCC1)c1ccc(S(N)(=O)=O)cc1C#N ZINC000742174964 638040822 /nfs/dbraw/zinc/04/08/22/638040822.db2.gz ODFHBGIBSORLTA-UHFFFAOYSA-N 0 0 307.419 2.222 10 30 DEEERN C=CCN(CC(F)(F)F)S(=O)(=O)c1cnn(C(C)C)c1 ZINC000742284740 638056695 /nfs/dbraw/zinc/05/66/95/638056695.db2.gz CKJORMSRMWSMOH-UHFFFAOYSA-N 0 0 311.329 2.203 10 30 DEEERN N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccc(F)c(F)c1 ZINC000742397331 638066545 /nfs/dbraw/zinc/06/65/45/638066545.db2.gz QCUOPZNYAKFWOJ-UHFFFAOYSA-N 0 0 323.324 2.096 10 30 DEEERN C#CCSCCNC(=O)N[C@H](CC)c1c(C)nn(C)c1C ZINC000743623069 638163121 /nfs/dbraw/zinc/16/31/21/638163121.db2.gz DYBMTDIHCLRNBN-CYBMUJFWSA-N 0 0 308.451 2.154 10 30 DEEERN N#C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CCN1C1CC1 ZINC000746672279 638367648 /nfs/dbraw/zinc/36/76/48/638367648.db2.gz NSENCNDFXNOHPY-CQSZACIVSA-N 0 0 320.780 2.420 10 30 DEEERN CCC(CC)[C@H](O)CNC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746785798 638377411 /nfs/dbraw/zinc/37/74/11/638377411.db2.gz UCNALUYDZWMYRW-OAHLLOKOSA-N 0 0 319.405 2.163 10 30 DEEERN COc1ccc(CNC(=O)c2cccc3c2OCCO3)cc1C#N ZINC000746878269 638383843 /nfs/dbraw/zinc/38/38/43/638383843.db2.gz RUGXGSTYYGYXAQ-UHFFFAOYSA-N 0 0 324.336 2.268 10 30 DEEERN C=CCN(CC=C)S(=O)(=O)c1ccc(/C=C\C(=O)OC)cc1 ZINC000747229224 638420613 /nfs/dbraw/zinc/42/06/13/638420613.db2.gz NHZKZLBYDXYPNI-FLIBITNWSA-N 0 0 321.398 2.236 10 30 DEEERN CC[C@H](C[C@@H](C)CO)NC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747423663 638436804 /nfs/dbraw/zinc/43/68/04/638436804.db2.gz UHMUFEGAARAENM-IUODEOHRSA-N 0 0 319.405 2.163 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1cncn1C ZINC000747784616 638477116 /nfs/dbraw/zinc/47/71/16/638477116.db2.gz UYCMTLGWSWJMFD-MRXNPFEDSA-N 0 0 313.357 2.439 10 30 DEEERN N#Cc1cccc(CC(=O)NCc2cccc3c2OCCO3)c1 ZINC000749368452 638639457 /nfs/dbraw/zinc/63/94/57/638639457.db2.gz SDAYVFMOAHSXGN-UHFFFAOYSA-N 0 0 308.337 2.188 10 30 DEEERN CCNC(=O)c1ccc(OC(=O)Cc2cccc(C#N)c2)cc1 ZINC000749395211 638643014 /nfs/dbraw/zinc/64/30/14/638643014.db2.gz CERJXRIAEQVTSK-UHFFFAOYSA-N 0 0 308.337 2.456 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)Cc2ccnc(C#N)c2)c1 ZINC000749515476 638656351 /nfs/dbraw/zinc/65/63/51/638656351.db2.gz RTTLSNCNUUOXLT-UHFFFAOYSA-N 0 0 304.353 2.005 10 30 DEEERN CN(C)C(=O)[C@@H](OC(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000750430567 638743665 /nfs/dbraw/zinc/74/36/65/638743665.db2.gz OXOCQTJZMFTGMM-SFHVURJKSA-N 0 0 322.364 2.473 10 30 DEEERN C=CCNC(=O)[C@@H](C)OC(=O)/C=C(/C)c1cccc(OC)c1 ZINC000751757852 639117787 /nfs/dbraw/zinc/11/77/87/639117787.db2.gz FZTLGEGKQBHVST-KXXVWKPMSA-N 0 0 303.358 2.332 10 30 DEEERN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C=C1CCC(C)(C)CC1 ZINC000751845204 639127868 /nfs/dbraw/zinc/12/78/68/639127868.db2.gz WSRDYRHELVDRMH-GFCCVEGCSA-N 0 0 322.405 2.457 10 30 DEEERN NC(=NOCC(=O)Nc1cc(F)cc(F)c1)c1ccc(F)cc1 ZINC000025821675 639131569 /nfs/dbraw/zinc/13/15/69/639131569.db2.gz UYMRODVMWQIWMM-UHFFFAOYSA-N 0 0 323.274 2.380 10 30 DEEERN COc1ccc(CNC(=O)NCc2ncccc2F)cc1C#N ZINC000752188170 639161735 /nfs/dbraw/zinc/16/17/35/639161735.db2.gz IQEXUYQEIOTQML-UHFFFAOYSA-N 0 0 314.320 2.100 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)NCC[C@@H]1CCOC1 ZINC000752657936 639206456 /nfs/dbraw/zinc/20/64/56/639206456.db2.gz DOJKWXCTZWNZAX-GFCCVEGCSA-N 0 0 306.337 2.386 10 30 DEEERN N#Cc1cccc(Cn2cncc(Br)c2=O)c1F ZINC000223553492 639478834 /nfs/dbraw/zinc/47/88/34/639478834.db2.gz FSQIKQBXTJEVMY-UHFFFAOYSA-N 0 0 308.110 2.065 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1cc(C)ncn1 ZINC000805234594 640364481 /nfs/dbraw/zinc/36/44/81/640364481.db2.gz NHWQNILAIWIEIU-INIZCTEOSA-N 0 0 308.385 2.219 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)C[C@H](C)n2cccc2)c1 ZINC000729259522 640410977 /nfs/dbraw/zinc/41/09/77/640410977.db2.gz JSVDLVLKMCFLEX-AWEZNQCLSA-N 0 0 309.369 2.175 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)C[C@@H](C)n2cccc2)c1 ZINC000729259524 640411064 /nfs/dbraw/zinc/41/10/64/640411064.db2.gz JSVDLVLKMCFLEX-CQSZACIVSA-N 0 0 309.369 2.175 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCCOC[C@H]1C ZINC000805786416 643267781 /nfs/dbraw/zinc/26/77/81/643267781.db2.gz QVAAVPISXNOJPY-WBVHZDCISA-N 0 0 300.402 2.441 10 30 DEEERN COC(=O)c1ccoc1C(=O)OCCCC1(C#N)CCOCC1 ZINC000800264128 645247402 /nfs/dbraw/zinc/24/74/02/645247402.db2.gz LZWYRJQCXONCBB-UHFFFAOYSA-N 0 0 321.329 2.324 10 30 DEEERN C#C[C@H](NC(=O)Nc1cc(OC)cc(OC)c1C)[C@H]1CCCO1 ZINC000800573153 645288924 /nfs/dbraw/zinc/28/89/24/645288924.db2.gz MOSWMMMHJGPYHE-DZGCQCFKSA-N 0 0 318.373 2.315 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000800623618 645292354 /nfs/dbraw/zinc/29/23/54/645292354.db2.gz ZSIDISWLMUDVBQ-UHFFFAOYSA-N 0 0 323.356 2.102 10 30 DEEERN C#CCOCCNC(=O)c1cc(CC)nc2onc(C(C)C)c21 ZINC000800938167 645323608 /nfs/dbraw/zinc/32/36/08/645323608.db2.gz DNSZBBHEMJDNPV-UHFFFAOYSA-N 0 0 315.373 2.288 10 30 DEEERN CCOCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000246576497 645445395 /nfs/dbraw/zinc/44/53/95/645445395.db2.gz NQDMIMBDZAYNFW-ARFHVFGLSA-N 0 0 320.433 2.454 10 30 DEEERN C#CCOc1ccccc1NC(=O)Nc1ccncc1N(C)C ZINC000801922919 645462618 /nfs/dbraw/zinc/46/26/18/645462618.db2.gz TWXNFRGRABGWPL-UHFFFAOYSA-N 0 0 310.357 2.226 10 30 DEEERN C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@H](C(C)C)C2)c(F)c1 ZINC000802561447 645534814 /nfs/dbraw/zinc/53/48/14/645534814.db2.gz XUYQWXCKAYZPAL-LBPRGKRZSA-N 0 0 320.339 2.389 10 30 DEEERN C=C(C)CCOC(=O)CCc1c(C)c2c(C)nn(C)c2[nH]c1=O ZINC000803274954 645629272 /nfs/dbraw/zinc/62/92/72/645629272.db2.gz QOLCBCQNQXSYEK-UHFFFAOYSA-N 0 0 317.389 2.320 10 30 DEEERN C=C(C)CCOC(=O)c1cccnc1S(=O)(=O)C(F)(F)F ZINC000803324246 645635099 /nfs/dbraw/zinc/63/50/99/645635099.db2.gz QDEPSNKEPMUHMT-UHFFFAOYSA-N 0 0 323.292 2.498 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccoc1C ZINC000803520446 645667642 /nfs/dbraw/zinc/66/76/42/645667642.db2.gz MRZZCHQVGGZQMY-MRXNPFEDSA-N 0 0 324.380 2.069 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)OC)nc1 ZINC000803520930 645667858 /nfs/dbraw/zinc/66/78/58/645667858.db2.gz VLKHLYFNZQUCEP-INIZCTEOSA-N 0 0 322.364 2.233 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCC(=O)c1cnn(C)c1 ZINC000803524613 645668393 /nfs/dbraw/zinc/66/83/93/645668393.db2.gz SJCPZLCEZJIGTC-QGZVFWFLSA-N 0 0 323.396 2.134 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)NCc1ccc(Cl)cc1 ZINC000803697343 645681124 /nfs/dbraw/zinc/68/11/24/645681124.db2.gz AKWLJSZQFXIMMU-UHFFFAOYSA-N 0 0 317.772 2.162 10 30 DEEERN C#CCC(CC#C)C(=O)OCCCOc1ccc2c(c1)OCO2 ZINC000803699290 645681604 /nfs/dbraw/zinc/68/16/04/645681604.db2.gz XZMZAPBHXLEIRS-UHFFFAOYSA-N 0 0 314.337 2.390 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000803698996 645681612 /nfs/dbraw/zinc/68/16/12/645681612.db2.gz LSWFBEOCGOWSLZ-NSHDSACASA-N 0 0 318.398 2.293 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1noc(Cc2ccccc2)n1 ZINC000803699767 645681944 /nfs/dbraw/zinc/68/19/44/645681944.db2.gz PEFZGSOQPIYKAX-UHFFFAOYSA-N 0 0 308.337 2.366 10 30 DEEERN CNC(=O)c1ccc(CN(c2nc(C)cc(C#N)n2)C2CC2)cc1 ZINC000804341724 645758068 /nfs/dbraw/zinc/75/80/68/645758068.db2.gz HPKKFVMWEMMFJO-UHFFFAOYSA-N 0 0 321.384 2.185 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C(N)=O)cs1 ZINC000804455377 645774225 /nfs/dbraw/zinc/77/42/25/645774225.db2.gz HDOIOIUACZAUGB-AWEZNQCLSA-N 0 0 312.394 2.211 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)CC(=O)Nc1ccccc1CC ZINC000806273019 645812690 /nfs/dbraw/zinc/81/26/90/645812690.db2.gz QNOSWAJKTRJUAO-UHFFFAOYSA-N 0 0 310.397 2.309 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(COC)ncn1 ZINC000806357038 645821707 /nfs/dbraw/zinc/82/17/07/645821707.db2.gz IRUOINJTLRAEGL-OAHLLOKOSA-N 0 0 324.384 2.379 10 30 DEEERN N#Cc1ccc(NC(=S)N2CC[C@@H](CC(N)=O)C2)cc1Cl ZINC000806610630 645852697 /nfs/dbraw/zinc/85/26/97/645852697.db2.gz ZQYWJGKCWCWRIK-VIFPVBQESA-N 0 0 322.821 2.106 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[C@H](c2ccccn2)C1 ZINC000806623472 645854978 /nfs/dbraw/zinc/85/49/78/645854978.db2.gz PGGCLHUSXXYHNR-CABCVRRESA-N 0 0 315.417 2.259 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806845050 645879142 /nfs/dbraw/zinc/87/91/42/645879142.db2.gz RSULUFWKVMNGER-UHFFFAOYSA-N 0 0 302.374 2.053 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@H](C(=O)OCC)c1ccccc1 ZINC000806936343 645892165 /nfs/dbraw/zinc/89/21/65/645892165.db2.gz XVIBAHRCIRWEQN-KRWDZBQOSA-N 0 0 311.381 2.112 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000807033926 645902234 /nfs/dbraw/zinc/90/22/34/645902234.db2.gz GBMWHKMPQPLQBD-YOEHRIQHSA-N 0 0 311.381 2.316 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000807217431 645925625 /nfs/dbraw/zinc/92/56/25/645925625.db2.gz DAXOCQZJDPEODD-UHFFFAOYSA-N 0 0 320.327 2.484 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000807258045 645931348 /nfs/dbraw/zinc/93/13/48/645931348.db2.gz XBAMCOUKEOICIG-OAHLLOKOSA-N 0 0 315.335 2.201 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@]1(C)CCO[C@@H]1C ZINC000807466240 645953745 /nfs/dbraw/zinc/95/37/45/645953745.db2.gz QGDAYTIBEPGAGL-QGPMSJSTSA-N 0 0 300.402 2.488 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@](C)(O)C1CC1 ZINC000807470409 645954724 /nfs/dbraw/zinc/95/47/24/645954724.db2.gz RCUSWMXPWXQNLN-WMZOPIPTSA-N 0 0 300.402 2.081 10 30 DEEERN C#C[C@H](NC(=O)C(=O)Nc1ccnn1C1CCCC1)C(C)(C)C ZINC000807536895 645960585 /nfs/dbraw/zinc/96/05/85/645960585.db2.gz TYTKTFSXSAVVLN-ZDUSSCGKSA-N 0 0 316.405 2.101 10 30 DEEERN C=C(C)CNC(=S)NCc1c(OC)cc(OC)cc1OC ZINC000044251223 646108361 /nfs/dbraw/zinc/10/83/61/646108361.db2.gz GINMFMJZAZDICO-UHFFFAOYSA-N 0 0 310.419 2.253 10 30 DEEERN C=CCOC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000170710609 646659165 /nfs/dbraw/zinc/65/91/65/646659165.db2.gz WQNHJQSQFLKINA-CQSZACIVSA-N 0 0 316.382 2.412 10 30 DEEERN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@H](C#N)C2CC2)c1 ZINC000174727311 646973010 /nfs/dbraw/zinc/97/30/10/646973010.db2.gz AGYUMIWJRTZIHN-CQSZACIVSA-N 0 0 324.377 2.040 10 30 DEEERN C#C[C@@H](OC(=O)[C@H]1CSCN1C(=O)C1CCCC1)C1CC1 ZINC000152655665 647243771 /nfs/dbraw/zinc/24/37/71/647243771.db2.gz XQZYDOWYWXINBQ-ZIAGYGMSSA-N 0 0 307.415 2.033 10 30 DEEERN C#C[C@H](OC(=O)[C@H]1CCCN1C(=O)Cc1cccs1)C1CC1 ZINC000152705846 647251717 /nfs/dbraw/zinc/25/17/17/647251717.db2.gz ICHXRMHPIKDMIH-CABCVRRESA-N 0 0 317.410 2.237 10 30 DEEERN C#CCOc1cccc(OC(=O)[C@@H]2CCCN2C(=O)C(C)C)c1 ZINC000730501202 647310847 /nfs/dbraw/zinc/31/08/47/647310847.db2.gz FWQZPIZRZCUDHC-INIZCTEOSA-N 0 0 315.369 2.251 10 30 DEEERN C#CCOc1ccc(NC(=O)[C@H](C)NC(=O)c2ccco2)cc1 ZINC000731013110 647439770 /nfs/dbraw/zinc/43/97/70/647439770.db2.gz JGJVKMICIRRHQE-LBPRGKRZSA-N 0 0 312.325 2.049 10 30 DEEERN CCN(CCC#N)C(=O)COC(=O)[C@@H](C)Cc1ccccc1 ZINC000732581471 647627728 /nfs/dbraw/zinc/62/77/28/647627728.db2.gz CNGOVXKMGMGFRS-AWEZNQCLSA-N 0 0 302.374 2.171 10 30 DEEERN Cc1ccc([C@H](C)NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 ZINC000732699593 647643417 /nfs/dbraw/zinc/64/34/17/647643417.db2.gz ASWFXHRHPZFIPS-JSGCOSHPSA-N 0 0 318.446 2.499 10 30 DEEERN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CSC(=O)N1 ZINC000154927192 648135200 /nfs/dbraw/zinc/13/52/00/648135200.db2.gz RLWACMCAZZIQKM-ZDUSSCGKSA-N 0 0 303.387 2.122 10 30 DEEERN C#CC[C@@H](OC(=O)c1ccc(S(=O)(=O)CC)cc1)C1CC1 ZINC000175340740 648344224 /nfs/dbraw/zinc/34/42/24/648344224.db2.gz MAXFVWWWTGJWEB-OAHLLOKOSA-N 0 0 306.383 2.439 10 30 DEEERN C=C[C@H](CC)OC(=O)c1ccc(S(=O)(=O)CCOC)cc1 ZINC000181212076 648582469 /nfs/dbraw/zinc/58/24/69/648582469.db2.gz UJVWWUDIDNVIJY-CYBMUJFWSA-N 0 0 312.387 2.228 10 30 DEEERN CS(=O)(=O)CC1(CC(=O)OCC2(C#N)CCCCC2)CC1 ZINC000183675768 649133824 /nfs/dbraw/zinc/13/38/24/649133824.db2.gz IOPSKCZSQFMPFL-UHFFFAOYSA-N 0 0 313.419 2.219 10 30 DEEERN N#CC1(COC(=O)CCc2nc(-c3ccncc3)no2)CCC1 ZINC000183912335 649200753 /nfs/dbraw/zinc/20/07/53/649200753.db2.gz YCQBYGUEPYGWSE-UHFFFAOYSA-N 0 0 312.329 2.301 10 30 DEEERN C#CCOc1ccccc1NCC(=O)NCc1ccc(OC)cc1 ZINC000184636055 649327070 /nfs/dbraw/zinc/32/70/70/649327070.db2.gz AFXASBOUGVCHEQ-UHFFFAOYSA-N 0 0 324.380 2.436 10 30 DEEERN C#CCCNS(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000733320690 649542368 /nfs/dbraw/zinc/54/23/68/649542368.db2.gz CJLTXMDQSIYUAY-CLFYSBASSA-N 0 0 314.204 2.363 10 30 DEEERN C#CCCNC(=O)NC[C@H](O)c1ccccc1C(F)(F)F ZINC000733355809 649553231 /nfs/dbraw/zinc/55/32/31/649553231.db2.gz JASICDXCFWUZHN-LBPRGKRZSA-N 0 0 300.280 2.061 10 30 DEEERN C#CC[C@@H](OC(=O)[C@@H]1CCCN(C(=O)CC)C1)c1ccccn1 ZINC000105549662 651137849 /nfs/dbraw/zinc/13/78/49/651137849.db2.gz AUVIJMAXFATASV-GDBMZVCRSA-N 0 0 314.385 2.338 10 30 DEEERN N#C[C@@H](NC(=O)c1cc(Cl)nc(N2CCCC2)c1)C1CC1 ZINC000112637723 651556397 /nfs/dbraw/zinc/55/63/97/651556397.db2.gz PPWUFFMKYXMHLA-GFCCVEGCSA-N 0 0 304.781 2.367 10 30 DEEERN C#CCOc1ccc(NC(=O)c2cnn3ccc(C)nc23)cc1 ZINC000108186381 651597214 /nfs/dbraw/zinc/59/72/14/651597214.db2.gz JGCIADLPGQZUDK-UHFFFAOYSA-N 0 0 306.325 2.302 10 30 DEEERN CC(C)c1nnc2n1CCN(C(=O)NCC(C)(C)C#N)[C@H]2C ZINC000358633935 685365527 /nfs/dbraw/zinc/36/55/27/685365527.db2.gz MEJYJHZRPVPBLC-NSHDSACASA-N 0 0 304.398 2.037 10 30 DEEERN CN1C(=O)C[C@H](C(=O)Oc2ccc(C#N)cc2)[C@H]1c1cccnc1 ZINC000074394984 683931031 /nfs/dbraw/zinc/93/10/31/683931031.db2.gz SUSZQESLTGFFPD-DOTOQJQBSA-N 0 0 321.336 2.078 10 30 DEEERN Cc1ccc(N2C[C@@H](C(=O)O[C@@H](C#N)C(C)C)CC2=O)cc1 ZINC000080386161 683981830 /nfs/dbraw/zinc/98/18/30/683981830.db2.gz ATUPTWIIIBGUHL-ZFWWWQNUSA-N 0 0 300.358 2.439 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000081060095 683987457 /nfs/dbraw/zinc/98/74/57/683987457.db2.gz HULVCROFYMNOGA-UHFFFAOYSA-N 0 0 308.385 2.209 10 30 DEEERN C=CCC[C@H](C)OC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000089312023 684022117 /nfs/dbraw/zinc/02/21/17/684022117.db2.gz HHFZDHMQXACCQA-RYUDHWBXSA-N 0 0 308.378 2.137 10 30 DEEERN C=CCC[C@H](C)OC(=O)CCn1nnc2ccccc2c1=O ZINC000089319147 684022174 /nfs/dbraw/zinc/02/21/74/684022174.db2.gz KTQHLGQTVOGLBM-LBPRGKRZSA-N 0 0 301.346 2.080 10 30 DEEERN C#C[C@H](Cc1ccccc1)OC(=O)CCCC(=O)NCCC ZINC000120554506 684098018 /nfs/dbraw/zinc/09/80/18/684098018.db2.gz NBQMVVBSUGGVFB-MRXNPFEDSA-N 0 0 301.386 2.471 10 30 DEEERN C=CCOc1ccc(C(=O)OC2CCN(CC#N)CC2)cc1 ZINC000120742832 684100218 /nfs/dbraw/zinc/10/02/18/684100218.db2.gz PYJWFPMJLGDRKS-UHFFFAOYSA-N 0 0 300.358 2.396 10 30 DEEERN C=CCc1ccc(OCC(=O)OCc2nccn2C)c(OC)c1 ZINC000125073311 684141778 /nfs/dbraw/zinc/14/17/78/684141778.db2.gz GVSFXBUHDGMNDW-UHFFFAOYSA-N 0 0 316.357 2.279 10 30 DEEERN C[C@H](C#N)NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000125310148 684144800 /nfs/dbraw/zinc/14/48/00/684144800.db2.gz LPGAXRKMTGDJED-CYBMUJFWSA-N 0 0 315.373 2.063 10 30 DEEERN N#Cc1ccc(OCCOC(=O)c2cnn3c2CCCC3)cc1 ZINC000125745313 684148316 /nfs/dbraw/zinc/14/83/16/684148316.db2.gz CQXBYWVRGNXIPO-UHFFFAOYSA-N 0 0 311.341 2.327 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N[C@H](C#N)C2CC2)C1 ZINC000126963924 684158920 /nfs/dbraw/zinc/15/89/20/684158920.db2.gz CFGNAKCMZMJVSN-DGCLKSJQSA-N 0 0 307.394 2.052 10 30 DEEERN C#CCCCCNC(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000127742333 684165705 /nfs/dbraw/zinc/16/57/05/684165705.db2.gz JYEIBIGPAVTQQZ-CQSZACIVSA-N 0 0 311.389 2.431 10 30 DEEERN C[C@H](OC(=O)CCS(=O)(=O)C1CCCC1)C(C)(C)C#N ZINC000131529771 684200242 /nfs/dbraw/zinc/20/02/42/684200242.db2.gz XBSGRKHEVPWBOQ-NSHDSACASA-N 0 0 301.408 2.215 10 30 DEEERN C#C[C@H](OC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1)C1CC1 ZINC000134081792 684225483 /nfs/dbraw/zinc/22/54/83/684225483.db2.gz KKKCURBWPQZDFM-SJORKVTESA-N 0 0 315.369 2.218 10 30 DEEERN C#CCN(CC(=O)c1[nH]c(C)c(C(=O)OC)c1C)C1CCCC1 ZINC000155834675 684281137 /nfs/dbraw/zinc/28/11/37/684281137.db2.gz RCEHULMYYIHJHC-UHFFFAOYSA-N 0 0 316.401 2.479 10 30 DEEERN C=C[C@H](C)OC(=O)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000187615410 684340659 /nfs/dbraw/zinc/34/06/59/684340659.db2.gz YDGOBHUCTAYQNJ-LBPRGKRZSA-N 0 0 312.387 2.367 10 30 DEEERN CC[C@@H](CC#N)OC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000188087007 684348811 /nfs/dbraw/zinc/34/88/11/684348811.db2.gz VTVXIDUWWHSFMR-HOCLYGCPSA-N 0 0 318.373 2.498 10 30 DEEERN C=C[C@](C)(CCOC)COC(=O)CCn1c(C)csc1=O ZINC000191153204 684422068 /nfs/dbraw/zinc/42/20/68/684422068.db2.gz HBNWTIWVODRGQD-OAHLLOKOSA-N 0 0 313.419 2.380 10 30 DEEERN COc1cccc(C#CCOC(=O)c2ccn(CC(F)F)n2)c1 ZINC000192833659 684458674 /nfs/dbraw/zinc/45/86/74/684458674.db2.gz QZGZQTMKPKATJW-UHFFFAOYSA-N 0 0 320.295 2.365 10 30 DEEERN CC(=O)N1CCO[C@@H]2CCN(c3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC000886031088 691987735 /nfs/dbraw/zinc/98/77/35/691987735.db2.gz MBFDACVSLRRDJL-HZPDHXFCSA-N 0 0 319.792 2.038 10 30 DEEERN CC(=O)N1CCO[C@@H]2CCN(c3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC000886031089 691987827 /nfs/dbraw/zinc/98/78/27/691987827.db2.gz MBFDACVSLRRDJL-JKSUJKDBSA-N 0 0 319.792 2.038 10 30 DEEERN C#CCSCCNC(=O)c1ccc(Br)cc1N ZINC000188393388 776808360 /nfs/dbraw/zinc/80/83/60/776808360.db2.gz LTWKLDALWPAQDY-UHFFFAOYSA-N 0 0 313.220 2.128 10 30 DEEERN CN=c1scc(-c2ccc(C#N)cc2)n1N=Cc1cnn(C)c1 ZINC000588458208 777222315 /nfs/dbraw/zinc/22/23/15/777222315.db2.gz IHPJLUTZICEPAJ-UHFFFAOYSA-N 0 0 322.397 2.234 10 30 DEEERN C=CCN(CC(=O)OCC)S(=O)(=O)c1c(C)csc1C ZINC000725083731 777580836 /nfs/dbraw/zinc/58/08/36/777580836.db2.gz TYXCKRPWOJPHHZ-UHFFFAOYSA-N 0 0 317.432 2.105 10 30 DEEERN COc1ccc(CNC(=O)c2cn(C)nc2C(C)C)cc1C#N ZINC000746922641 786542080 /nfs/dbraw/zinc/54/20/80/786542080.db2.gz JNZMNWLEKAPCCS-UHFFFAOYSA-N 0 0 312.373 2.354 10 30 DEEERN COc1ccc(CNC(=O)c2cncnc2C(C)C)cc1C#N ZINC000746923229 786544754 /nfs/dbraw/zinc/54/47/54/786544754.db2.gz ZUZWORAZJZMFJZ-UHFFFAOYSA-N 0 0 310.357 2.410 10 30 DEEERN C#CC[C@@H](COC)NC(=O)c1ccsc1Br ZINC000716813034 793008404 /nfs/dbraw/zinc/00/84/04/793008404.db2.gz WOFYDKGIDJLWLA-QMMMGPOBSA-N 0 0 302.193 2.279 10 30 DEEERN C#CC[C@@H](COC)NC(=O)c1ccc(Br)cc1F ZINC000716850224 793009701 /nfs/dbraw/zinc/00/97/01/793009701.db2.gz XRYNPKVCNQORNU-JTQLQIEISA-N 0 0 314.154 2.356 10 30 DEEERN C#CC[C@@H](COC)NC(=O)c1ccc(Br)c(F)c1 ZINC000716846036 793010078 /nfs/dbraw/zinc/01/00/78/793010078.db2.gz JXPKTGYEXIBCAH-JTQLQIEISA-N 0 0 314.154 2.356 10 30 DEEERN COc1cccc(CS(=O)(=O)OCC(F)(F)C(F)F)c1 ZINC000117902383 799027573 /nfs/dbraw/zinc/02/75/73/799027573.db2.gz NJXBQRWJMWISJU-UHFFFAOYSA-N 0 0 316.272 2.442 10 30 DEEERN N#CCSc1ccccc1C(=O)NCC[C@@H](O)C(F)F ZINC000717418669 799404411 /nfs/dbraw/zinc/40/44/11/799404411.db2.gz APBMEWPAONIKGC-SNVBAGLBSA-N 0 0 300.330 2.048 10 30 DEEERN C=CCC1(O)CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000717472861 799412858 /nfs/dbraw/zinc/41/28/58/799412858.db2.gz PMKNPZGWZOXCDG-UHFFFAOYSA-N 0 0 315.460 2.457 10 30 DEEERN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)OCC(C)(C)C#N ZINC000588418956 1082335132 /nfs/dbraw/zinc/33/51/32/1082335132.db2.gz AEUKZKFEGZOASL-HUMZTAOYSA-N 0 0 310.419 2.337 10 30 DEEERN C#CC1(O)CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000708136984 1086677039 /nfs/dbraw/zinc/67/70/39/1086677039.db2.gz OMMSZYIUDICEOM-UHFFFAOYSA-N 0 0 322.202 2.358 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)NCC[C@@H]2CC2(F)F)c1 ZINC000719990513 1089424438 /nfs/dbraw/zinc/42/44/38/1089424438.db2.gz RAMFQRJETNBBOY-SECBINFHSA-N 0 0 304.293 2.021 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)N2CCC=C(Cl)C2)c1 ZINC000720031092 1089426194 /nfs/dbraw/zinc/42/61/94/1089426194.db2.gz GANQPINJASWGLO-UHFFFAOYSA-N 0 0 300.742 2.214 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ccn(C2CCOCC2)n1 ZINC000624861594 365572907 /nfs/dbraw/zinc/57/29/07/365572907.db2.gz WHMMATUCDZBVBS-UHFFFAOYSA-N 0 0 317.311 2.425 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1CNC(=O)c2ccccc21 ZINC000624859687 365573198 /nfs/dbraw/zinc/57/31/98/365573198.db2.gz HAKRHYMMYPGGTB-LBPRGKRZSA-N 0 0 312.291 2.091 10 30 DEEERN C=C[C@H](CO)NC(=O)NCc1ccccc1CC(F)(F)F ZINC000624995280 365609841 /nfs/dbraw/zinc/60/98/41/365609841.db2.gz IGFAQNSAGYAKPS-GFCCVEGCSA-N 0 0 302.296 2.138 10 30 DEEERN C=CCCCN(C)c1nnc(-c2cn[nH]c2)n1C[C@H]1CCCO1 ZINC000625096531 365641375 /nfs/dbraw/zinc/64/13/75/365641375.db2.gz HXTOOWBBWTVEJI-CQSZACIVSA-N 0 0 316.409 2.250 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000278502661 214195514 /nfs/dbraw/zinc/19/55/14/214195514.db2.gz ZZTIBAPKLMTRCB-ZDUSSCGKSA-N 0 0 311.381 2.298 10 30 DEEERN C=CCN(C(C)=O)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000096775322 185387152 /nfs/dbraw/zinc/38/71/52/185387152.db2.gz OFOGAMIZFLBLHQ-NSHDSACASA-N 0 0 306.362 2.065 10 30 DEEERN C=CCN(C(C)=O)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000096775323 185387181 /nfs/dbraw/zinc/38/71/81/185387181.db2.gz OFOGAMIZFLBLHQ-LLVKDONJSA-N 0 0 306.362 2.065 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000278583543 214255720 /nfs/dbraw/zinc/25/57/20/214255720.db2.gz SHDOVXGYXJJVKT-RHSMWYFYSA-N 0 0 316.401 2.339 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@H]1C[C@H](OCC)C12CCC2 ZINC000612486679 361840626 /nfs/dbraw/zinc/84/06/26/361840626.db2.gz STVIWZBLFZNVEX-JYJNAYRXSA-N 0 0 322.449 2.263 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCc2ccc(F)c(F)c2C1 ZINC000612606317 361871941 /nfs/dbraw/zinc/87/19/41/361871941.db2.gz HROYRDSTUOMHPP-OAHLLOKOSA-N 0 0 322.355 2.320 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCOc1ccccc1Cl ZINC000612855519 361932296 /nfs/dbraw/zinc/93/22/96/361932296.db2.gz DJWFILAHKJMGOR-CQSZACIVSA-N 0 0 324.808 2.306 10 30 DEEERN C=CCOCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000612998521 361975516 /nfs/dbraw/zinc/97/55/16/361975516.db2.gz DHKMDMRKZYMSKQ-UHFFFAOYSA-N 0 0 310.325 2.330 10 30 DEEERN N#Cc1cnn(Cc2ccc(I)cc2)c1 ZINC000309061380 231097981 /nfs/dbraw/zinc/09/79/81/231097981.db2.gz WDQIBELZVGWZMO-UHFFFAOYSA-N 0 0 309.110 2.408 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCc1ccc(NC(C)=O)cc1 ZINC000278769201 214386723 /nfs/dbraw/zinc/38/67/23/214386723.db2.gz SQQPGJJIPADVFG-IAGOWNOFSA-N 0 0 316.401 2.285 10 30 DEEERN N#Cc1cnc(N2CCC(N3CCc4ccccc43)CC2)cn1 ZINC000328650146 231287420 /nfs/dbraw/zinc/28/74/20/231287420.db2.gz IYKHNQHTGCMVGE-UHFFFAOYSA-N 0 0 305.385 2.380 10 30 DEEERN CC[C@H](C#N)S(=O)(=O)NCc1cc(Br)cs1 ZINC000088474316 185252225 /nfs/dbraw/zinc/25/22/25/185252225.db2.gz QGJVXPHKDSHCSU-SECBINFHSA-N 0 0 323.237 2.232 10 30 DEEERN N#Cc1ccc(C(=O)Nc2ncccc2Br)nc1 ZINC000088447189 185251284 /nfs/dbraw/zinc/25/12/84/185251284.db2.gz NFHFTXBGQWGQIZ-UHFFFAOYSA-N 0 0 303.119 2.363 10 30 DEEERN N#Cc1ccc(N[C@H]2C=CS(=O)(=O)C2)cc1C(F)(F)F ZINC000088856898 185267239 /nfs/dbraw/zinc/26/72/39/185267239.db2.gz PZBOBMPKXFZLPJ-JTQLQIEISA-N 0 0 302.277 2.300 10 30 DEEERN C[C@H](C#N)CNC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000090043395 185279604 /nfs/dbraw/zinc/27/96/04/185279604.db2.gz QIKNGOYCYZKYME-LLVKDONJSA-N 0 0 308.328 2.289 10 30 DEEERN C=C(C)CN(C)C(=O)CN1CC[C@@H](c2ccccc2)NC1=O ZINC000613304393 362075187 /nfs/dbraw/zinc/07/51/87/362075187.db2.gz BQVPBVLGDJHKAX-HNNXBMFYSA-N 0 0 301.390 2.178 10 30 DEEERN C[C@@H](NC(=O)N(C)[C@@H]1COC[C@H]1O)C12CC3CC(CC(C3)C1)C2 ZINC000329490920 295691470 /nfs/dbraw/zinc/69/14/70/295691470.db2.gz VFXWQGYOGAVXFP-OAMVRSDCSA-N 0 0 322.449 2.197 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000625349655 365740959 /nfs/dbraw/zinc/74/09/59/365740959.db2.gz DDDYCVWIXJZUNZ-CYBMUJFWSA-N 0 0 308.403 2.232 10 30 DEEERN N#Cc1cc(S(=O)(=O)NCc2ccncc2)ccc1Cl ZINC000096996804 185395635 /nfs/dbraw/zinc/39/56/35/185395635.db2.gz ZYULXTSBYCMMNY-UHFFFAOYSA-N 0 0 307.762 2.085 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)C1 ZINC000625356077 365745080 /nfs/dbraw/zinc/74/50/80/365745080.db2.gz ZNSAOMTXLVBZGG-CHWSQXEVSA-N 0 0 309.435 2.367 10 30 DEEERN CNC(=O)[C@@H]1CCCCN1c1cccc(Br)c1C#N ZINC000168505962 197723775 /nfs/dbraw/zinc/72/37/75/197723775.db2.gz YVQLZBJVJSNBMT-ZDUSSCGKSA-N 0 0 322.206 2.426 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(c2ccncc2)CC1 ZINC000614006467 362261223 /nfs/dbraw/zinc/26/12/23/362261223.db2.gz WPCDFVNQURLQAV-QGZVFWFLSA-N 0 0 315.417 2.259 10 30 DEEERN C=CC[C@H](CC)NC(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC000614396177 362369791 /nfs/dbraw/zinc/36/97/91/362369791.db2.gz HTJVMDDWUPCCPG-SRVKXCTJSA-N 0 0 309.328 2.441 10 30 DEEERN C=C(C)C(=O)Nc1oc(C)c(C(=O)OCC)c1C(=O)OCC ZINC000170499615 197777794 /nfs/dbraw/zinc/77/77/94/197777794.db2.gz HGBJEDLTVNMJFW-UHFFFAOYSA-N 0 0 309.318 2.456 10 30 DEEERN CCOc1cccc(CCNC(=O)c2cccc(F)c2C#N)n1 ZINC000614504568 362397155 /nfs/dbraw/zinc/39/71/55/362397155.db2.gz ZNIPUZUIMSFSAY-UHFFFAOYSA-N 0 0 313.332 2.464 10 30 DEEERN CCC1(CC)CN(c2cccc(F)c2C#N)CCS1(=O)=O ZINC000302428261 282379564 /nfs/dbraw/zinc/37/95/64/282379564.db2.gz KRILJCARSBIQBP-UHFFFAOYSA-N 0 0 310.394 2.491 10 30 DEEERN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H](C#N)C1CC1 ZINC000108843023 185535987 /nfs/dbraw/zinc/53/59/87/185535987.db2.gz XAYRDUBFCZSWTM-KRWDZBQOSA-N 0 0 308.385 2.450 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)C3CCC3)cc2C1=O ZINC000131238911 539498872 /nfs/dbraw/zinc/49/88/72/539498872.db2.gz XVISLINTFATONC-NSHDSACASA-N 0 0 312.369 2.387 10 30 DEEERN C=CCCSCCNC(=O)NCCc1c(C)nn(C)c1C ZINC000595451485 358452766 /nfs/dbraw/zinc/45/27/66/358452766.db2.gz YUAKHHOBBRYYMU-UHFFFAOYSA-N 0 0 310.467 2.188 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@H](OCC2CC2)C1 ZINC000625531190 365815707 /nfs/dbraw/zinc/81/57/07/365815707.db2.gz ZHYBUJPCWGHWCJ-HNNXBMFYSA-N 0 0 322.449 2.123 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)CCc1ncc(C)s1 ZINC000625555948 365829475 /nfs/dbraw/zinc/82/94/75/365829475.db2.gz BWYNZMVNGJYNMN-UHFFFAOYSA-N 0 0 323.462 2.171 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc2c1C(=O)NC2 ZINC000119496550 185752737 /nfs/dbraw/zinc/75/27/37/185752737.db2.gz DLEMWYQJBFQHTA-LLVKDONJSA-N 0 0 321.336 2.208 10 30 DEEERN CCO[C@@H]1C[C@@H](Nc2nc(C)cc(C#N)n2)C12CCOCC2 ZINC000286880646 219208032 /nfs/dbraw/zinc/20/80/32/219208032.db2.gz OBLRFLYLRKRNHY-ZIAGYGMSSA-N 0 0 302.378 2.043 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](OC)c1cccc(OC)c1 ZINC000616409890 362850341 /nfs/dbraw/zinc/85/03/41/362850341.db2.gz YEMWXEHFRALOTD-CWRNSKLLSA-N 0 0 305.374 2.090 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC000616515426 362877945 /nfs/dbraw/zinc/87/79/45/362877945.db2.gz ISERFHAYASCPEE-AWEZNQCLSA-N 0 0 317.389 2.075 10 30 DEEERN N#Cc1cc(F)ccc1NC(=O)c1ccc(C#CCO)s1 ZINC000126894695 185901843 /nfs/dbraw/zinc/90/18/43/185901843.db2.gz JWSHDEIUGOIZTM-UHFFFAOYSA-N 0 0 300.314 2.355 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1nnc(-c2ccccn2)s1 ZINC000176775285 282619076 /nfs/dbraw/zinc/61/90/76/282619076.db2.gz KPQZWNHTMDTYSG-UHFFFAOYSA-N 0 0 310.342 2.063 10 30 DEEERN C=CCCCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000279936461 215251720 /nfs/dbraw/zinc/25/17/20/215251720.db2.gz XBHSVMMNNNRTML-UHFFFAOYSA-N 0 0 317.794 2.356 10 30 DEEERN C=CCN(CC=C)C(=O)Nc1cc2c(cc1C(=O)OC)OCO2 ZINC000277309665 213435941 /nfs/dbraw/zinc/43/59/41/213435941.db2.gz UYGMRGAWHFJURY-UHFFFAOYSA-N 0 0 318.329 2.408 10 30 DEEERN C[C@H]1SCCN(C(=O)c2cccc(C#CCCO)c2)[C@H]1C ZINC000133633937 186001939 /nfs/dbraw/zinc/00/19/39/186001939.db2.gz QVTVFKTWCDNIFF-UONOGXRCSA-N 0 0 303.427 2.387 10 30 DEEERN C[C@H]1SCCN(C(=O)c2sccc2C#CCCO)[C@H]1C ZINC000133642192 186002121 /nfs/dbraw/zinc/00/21/21/186002121.db2.gz KOZALLBVAYZGEC-NWDGAFQWSA-N 0 0 309.456 2.448 10 30 DEEERN CN[C@H](C#N)CCOc1c(Br)cccc1[N+](=O)[O-] ZINC000133641467 186002439 /nfs/dbraw/zinc/00/24/39/186002439.db2.gz LWOORCKODSDVGL-QMMMGPOBSA-N 0 0 314.139 2.238 10 30 DEEERN C[C@@H]1SCCN(C(=O)c2cc(F)ccc2C#CCO)[C@H]1C ZINC000133642609 186002556 /nfs/dbraw/zinc/00/25/56/186002556.db2.gz TZCGBJQIEFSQQJ-RYUDHWBXSA-N 0 0 307.390 2.136 10 30 DEEERN C[C@H]1SCCN(C(=O)c2ccc(C#CCCO)cc2)[C@@H]1C ZINC000133650994 186003667 /nfs/dbraw/zinc/00/36/67/186003667.db2.gz OICWBQMIYSCPEA-ZIAGYGMSSA-N 0 0 303.427 2.387 10 30 DEEERN CC#CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000133657094 186003854 /nfs/dbraw/zinc/00/38/54/186003854.db2.gz VLCOUNXMDUZHSI-HUUCEWRRSA-N 0 0 307.344 2.033 10 30 DEEERN N#Cc1ccc(Cl)cc1Nc1ccc(N)cc1S(N)(=O)=O ZINC000148453855 186044526 /nfs/dbraw/zinc/04/45/26/186044526.db2.gz UUXUNZPVYHVYAM-UHFFFAOYSA-N 0 0 322.777 2.185 10 30 DEEERN C#CCCCCNC(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000152520565 186081336 /nfs/dbraw/zinc/08/13/36/186081336.db2.gz YLHPLAHLCZYCJE-INIZCTEOSA-N 0 0 302.374 2.279 10 30 DEEERN Cn1cc([C@@H]2CCN(C(=O)Nc3ccc(F)cc3C#N)C2)cn1 ZINC000177901160 186201827 /nfs/dbraw/zinc/20/18/27/186201827.db2.gz UVZMQNYHWPWCMX-LLVKDONJSA-N 0 0 313.336 2.452 10 30 DEEERN Nn1c(SCC#Cc2ccccc2)nnc1[C@@H]1CCCCO1 ZINC000188049472 186249763 /nfs/dbraw/zinc/24/97/63/186249763.db2.gz KRHHHAHRPYWQIV-AWEZNQCLSA-N 0 0 314.414 2.377 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)c1c(C)nn(C)c1C ZINC000617038588 363006884 /nfs/dbraw/zinc/00/68/84/363006884.db2.gz ZCZTXKIKPAGYCJ-ZIAGYGMSSA-N 0 0 303.406 2.471 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000617044154 363007721 /nfs/dbraw/zinc/00/77/21/363007721.db2.gz JDOIOHRQKGZCOP-KFWWJZLASA-N 0 0 313.463 2.452 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CCCCCS(N)(=O)=O ZINC000617043594 363008259 /nfs/dbraw/zinc/00/82/59/363008259.db2.gz BXVNBDSHUWKUQO-UONOGXRCSA-N 0 0 316.467 2.086 10 30 DEEERN C=CCCC(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 ZINC000617163610 363043336 /nfs/dbraw/zinc/04/33/36/363043336.db2.gz WLEJXQZMPSDHJN-UHFFFAOYSA-N 0 0 308.403 2.127 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCSCC(=O)OC ZINC000595494833 358464630 /nfs/dbraw/zinc/46/46/30/358464630.db2.gz QHYHOJHSWACXRK-STQMWFEESA-N 0 0 314.451 2.327 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@@H](CO)C2CCC2)cc1OC ZINC000617301655 363083103 /nfs/dbraw/zinc/08/31/03/363083103.db2.gz YMJSBLJKOJFHTB-AWEZNQCLSA-N 0 0 305.374 2.151 10 30 DEEERN Cc1ccc([C@@H](C)NC(=O)N2C[C@@H]3COC[C@H](C2)O3)c(C)c1 ZINC000328760341 539910577 /nfs/dbraw/zinc/91/05/77/539910577.db2.gz XDNODRHDAJAZEM-KFWWJZLASA-N 0 0 304.390 2.378 10 30 DEEERN CC1(C)NC(=O)CC[C@@H]1NC(=O)NCc1cn2c(n1)CCCC2 ZINC000328757383 539910736 /nfs/dbraw/zinc/91/07/36/539910736.db2.gz UXYMHMXEWAWKCH-LBPRGKRZSA-N 0 0 319.409 2.121 10 30 DEEERN Cc1cnc([C@H](C)NC(=O)N2CC[C@H](c3cnn(C)c3)C2)o1 ZINC000329242341 539916384 /nfs/dbraw/zinc/91/63/84/539916384.db2.gz OFWILSDZPFNMKL-RYUDHWBXSA-N 0 0 303.366 2.181 10 30 DEEERN C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CCc2cncnc2C1 ZINC000329287589 539917262 /nfs/dbraw/zinc/91/72/62/539917262.db2.gz PGOBRGNUNYDJKV-CJNGLKHVSA-N 0 0 318.421 2.344 10 30 DEEERN C[C@]12CCCN1C[C@@H](c1noc(C3(C#N)CCCC3)n1)OC2 ZINC000329639910 539925337 /nfs/dbraw/zinc/92/53/37/539925337.db2.gz ZGSKMBBKIQPIHC-SWLSCSKDSA-N 0 0 302.378 2.331 10 30 DEEERN CO[C@](C)(CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)C1CC1 ZINC000329594546 539924032 /nfs/dbraw/zinc/92/40/32/539924032.db2.gz BLSUGFYLOCJXHU-USXIJHARSA-N 0 0 310.438 2.343 10 30 DEEERN C=CCCNC(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000617614703 363203722 /nfs/dbraw/zinc/20/37/22/363203722.db2.gz KSKPMTCNSLMXEX-UHFFFAOYSA-N 0 0 305.397 2.274 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)Nc1ncc(C(F)(F)F)s1 ZINC000338457728 539983245 /nfs/dbraw/zinc/98/32/45/539983245.db2.gz PKDMKAJCDYEVOY-SSDOTTSWSA-N 0 0 309.313 2.468 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)C1(C(=O)N(C)C)CC1 ZINC000413991619 404469271 /nfs/dbraw/zinc/46/92/71/404469271.db2.gz WEEFMTKXUMPETF-HNNXBMFYSA-N 0 0 300.402 2.158 10 30 DEEERN C=CC[C@H]1CCCN(C(=O)COc2cccc(C(=O)NC)c2)C1 ZINC000617781537 363263472 /nfs/dbraw/zinc/26/34/72/363263472.db2.gz OXXMNKXHQDCTBM-AWEZNQCLSA-N 0 0 316.401 2.240 10 30 DEEERN N#Cc1cccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000044577073 354237803 /nfs/dbraw/zinc/23/78/03/354237803.db2.gz YPARKUSBXXAHHX-CQSZACIVSA-N 0 0 307.357 2.203 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1cc(C)n([C@H]2CCCOC2)c1C ZINC000626362021 366161921 /nfs/dbraw/zinc/16/19/21/366161921.db2.gz YSMWHVPOJBEUQJ-CVEARBPZSA-N 0 0 320.433 2.371 10 30 DEEERN COc1ccc2c(c1)OC[C@H](C(=O)Nc1cc(C#N)ccn1)C2 ZINC000618138169 363392006 /nfs/dbraw/zinc/39/20/06/363392006.db2.gz VMFYOWCVRGZZSH-CYBMUJFWSA-N 0 0 309.325 2.152 10 30 DEEERN N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC3)C2)c(F)c1 ZINC000069475402 354865646 /nfs/dbraw/zinc/86/56/46/354865646.db2.gz MULDMOPSQMBJBE-ZDUSSCGKSA-N 0 0 302.353 2.081 10 30 DEEERN C=CCC1(NC(=O)C[C@H](O)Cc2ccccc2)CCOCC1 ZINC000618250460 363431168 /nfs/dbraw/zinc/43/11/68/363431168.db2.gz BRJLULFSFRRKMQ-MRXNPFEDSA-N 0 0 303.402 2.222 10 30 DEEERN C[C@H](c1nc(C2CC2)no1)N1CCN(c2ncccc2C#N)CC1 ZINC000076479535 355150551 /nfs/dbraw/zinc/15/05/51/355150551.db2.gz NQPZDIIMZBEVCJ-GFCCVEGCSA-N 0 0 324.388 2.097 10 30 DEEERN N#Cc1cc(C(F)(F)F)ccc1N1CCN2CCOC[C@@H]2C1 ZINC000371804436 283092324 /nfs/dbraw/zinc/09/23/24/283092324.db2.gz XJGYZCRUYGECMC-ZDUSSCGKSA-N 0 0 311.307 2.098 10 30 DEEERN N#Cc1ccc(C(F)(F)F)nc1NCCCCn1cnnc1 ZINC000078509538 355265422 /nfs/dbraw/zinc/26/54/22/355265422.db2.gz SQQVAVMPOKETOQ-UHFFFAOYSA-N 0 0 310.283 2.456 10 30 DEEERN N#Cc1cc(N2CCC[C@]3(CNC(=O)C3)C2)nc2ccccc12 ZINC000078569376 355268564 /nfs/dbraw/zinc/26/85/64/355268564.db2.gz BVQGCJATOBBLRP-SFHVURJKSA-N 0 0 306.369 2.213 10 30 DEEERN C[C@@H]1CO[C@@H](CO)CN1c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092685142 355646583 /nfs/dbraw/zinc/64/65/83/355646583.db2.gz XOLCAUQSRBUFPN-ZWNOBZJWSA-N 0 0 317.776 2.346 10 30 DEEERN N#C[C@H](NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)C1CC1 ZINC000108836362 355738654 /nfs/dbraw/zinc/73/86/54/355738654.db2.gz VGMBYCXRAVKULV-GPANFISMSA-N 0 0 317.433 2.270 10 30 DEEERN CCO[C@@H](CC)COS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000146075282 355907463 /nfs/dbraw/zinc/90/74/63/355907463.db2.gz SIVNJLIINKHTKB-NSHDSACASA-N 0 0 303.336 2.115 10 30 DEEERN CC(C)N(CC#N)S(=O)(=O)c1cccc(Br)c1 ZINC000080214790 192012855 /nfs/dbraw/zinc/01/28/55/192012855.db2.gz VHPLVRWWDYCPQS-UHFFFAOYSA-N 0 0 317.208 2.372 10 30 DEEERN C[C@@H](C#N)CNC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000182788725 356145608 /nfs/dbraw/zinc/14/56/08/356145608.db2.gz NXPPDLVFJIMVEH-STQMWFEESA-N 0 0 316.409 2.011 10 30 DEEERN N#Cc1ccc(F)c(CN2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000408043690 283165775 /nfs/dbraw/zinc/16/57/75/283165775.db2.gz LABIZOYSCGIWPE-KBAYOESNSA-N 0 0 318.392 2.449 10 30 DEEERN CCNC(=O)Nc1cccc(NC(=O)c2cc(C#N)cn2C)c1 ZINC000081726217 192318283 /nfs/dbraw/zinc/31/82/83/192318283.db2.gz PKNTXZDBQXAOCG-UHFFFAOYSA-N 0 0 311.345 2.290 10 30 DEEERN C=CCOCCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000618513388 363512719 /nfs/dbraw/zinc/51/27/19/363512719.db2.gz AEEWPDHYYMNDEY-MRXNPFEDSA-N 0 0 316.401 2.000 10 30 DEEERN C=CCOCCCNC(=O)C[C@H](C)NC(=O)C1CCCCC1 ZINC000618522571 363514377 /nfs/dbraw/zinc/51/43/77/363514377.db2.gz MTUNOXOBVWESRV-AWEZNQCLSA-N 0 0 310.438 2.170 10 30 DEEERN C=CCOCCCNC(=O)C[C@@H](C)NC(=O)C1CCCCC1 ZINC000618522572 363515057 /nfs/dbraw/zinc/51/50/57/363515057.db2.gz MTUNOXOBVWESRV-CQSZACIVSA-N 0 0 310.438 2.170 10 30 DEEERN C=CCOCCCNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000618523471 363516259 /nfs/dbraw/zinc/51/62/59/363516259.db2.gz IPUQNJDDUVZTNS-KRWDZBQOSA-N 0 0 320.408 2.499 10 30 DEEERN C=CCOCCCNC(=O)c1ccc2nnc(C(C)(C)C)n2c1 ZINC000618526508 363517531 /nfs/dbraw/zinc/51/75/31/363517531.db2.gz PVTIUGWRSXPEEB-UHFFFAOYSA-N 0 0 316.405 2.349 10 30 DEEERN C=CCCc1noc(CN2C(=O)NC3(CCC(C)CC3)C2=O)n1 ZINC000351128719 356618972 /nfs/dbraw/zinc/61/89/72/356618972.db2.gz JVOFHADGIZCPIP-UHFFFAOYSA-N 0 0 318.377 2.189 10 30 DEEERN C=CCOCCNc1ncc([N+](=O)[O-])cc1Br ZINC000384075199 356681944 /nfs/dbraw/zinc/68/19/44/356681944.db2.gz WELSUODMACOBFR-UHFFFAOYSA-N 0 0 302.128 2.367 10 30 DEEERN C=CCC(C)(C)C(=O)N[C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000579364065 356964810 /nfs/dbraw/zinc/96/48/10/356964810.db2.gz RVCDKBVTYNULTK-AWEZNQCLSA-N 0 0 305.422 2.342 10 30 DEEERN C=CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C2CC2)C1 ZINC000579437647 356972338 /nfs/dbraw/zinc/97/23/38/356972338.db2.gz HUPXNMKHZRNCCS-CABCVRRESA-N 0 0 318.421 2.321 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccccn1)C1CC1 ZINC000584777669 357307100 /nfs/dbraw/zinc/30/71/00/357307100.db2.gz QLDJGARTBDAHBP-BBRMVZONSA-N 0 0 301.390 2.347 10 30 DEEERN C[C@H](CCC1CC1)NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586859111 357377918 /nfs/dbraw/zinc/37/79/18/357377918.db2.gz SKESMDYCXHCHSC-LLVKDONJSA-N 0 0 317.364 2.008 10 30 DEEERN Cc1noc(C)c1CN1CCN(c2cc(C#N)cc(C)n2)CC1 ZINC000585703210 357347853 /nfs/dbraw/zinc/34/78/53/357347853.db2.gz OFPXUHRVCSKDLQ-UHFFFAOYSA-N 0 0 311.389 2.189 10 30 DEEERN N#Cc1cccc(CC(=O)NCCc2ccc3c[nH]nc3c2)c1 ZINC000585764041 357352363 /nfs/dbraw/zinc/35/23/63/357352363.db2.gz OWOLBUDTKJBOFT-UHFFFAOYSA-N 0 0 304.353 2.336 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588039383 357390393 /nfs/dbraw/zinc/39/03/93/357390393.db2.gz UYUQSWCFQYHEHF-MEBBXXQBSA-N 0 0 307.350 2.062 10 30 DEEERN CCN(CC)C(=O)C1CCN(c2snc(C)c2C#N)CC1 ZINC000587586324 357381854 /nfs/dbraw/zinc/38/18/54/357381854.db2.gz IDADUHYWWCXGAR-UHFFFAOYSA-N 0 0 306.435 2.408 10 30 DEEERN C=C[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)C(=O)OC ZINC000589267289 357460584 /nfs/dbraw/zinc/46/05/84/357460584.db2.gz LGSXCWNVDPMFIZ-RRFJBIMHSA-N 0 0 310.344 2.027 10 30 DEEERN CN(C)C(=O)C[C@]1(O)CCCN(c2cccc(Cl)c2C#N)C1 ZINC000591618430 357743497 /nfs/dbraw/zinc/74/34/97/357743497.db2.gz QLZXCERIEKGYRH-MRXNPFEDSA-N 0 0 321.808 2.021 10 30 DEEERN CC#CC[C@H](CO)NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000591976348 357809018 /nfs/dbraw/zinc/80/90/18/357809018.db2.gz RRQHTVPEJOZWKN-HIFRSBDPSA-N 0 0 319.361 2.119 10 30 DEEERN C=CCSCCNC(=O)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000179744486 199075509 /nfs/dbraw/zinc/07/55/09/199075509.db2.gz SPGAZJFWPHBVKN-UHFFFAOYSA-N 0 0 319.386 2.110 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCCNC(=O)c1cccc(OC)c1 ZINC000185150305 199816619 /nfs/dbraw/zinc/81/66/19/199816619.db2.gz HAEIWVXHWABUQK-ZDUSSCGKSA-N 0 0 304.390 2.144 10 30 DEEERN C=CCN(CCC#N)C(=O)Cc1c(C)nn(CC2CC2)c1C ZINC000593721143 358130300 /nfs/dbraw/zinc/13/03/00/358130300.db2.gz OMNRIIFVHLLKKG-UHFFFAOYSA-N 0 0 300.406 2.381 10 30 DEEERN C=CCN(CC=C)C(=O)COc1ccc(C)c(C(=O)OC)c1 ZINC000594912842 358356318 /nfs/dbraw/zinc/35/63/18/358356318.db2.gz ZQIQYXXZSOAWCK-UHFFFAOYSA-N 0 0 303.358 2.361 10 30 DEEERN C=CCCSCCNC(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000595272001 358410032 /nfs/dbraw/zinc/41/00/32/358410032.db2.gz SBBIRSLIBRIUJH-OAHLLOKOSA-N 0 0 320.462 2.047 10 30 DEEERN CC(=O)N(C)C1CCN(c2cc(C)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000596088966 358607894 /nfs/dbraw/zinc/60/78/94/358607894.db2.gz CXUJCYVDAWOFLX-UHFFFAOYSA-N 0 0 316.361 2.222 10 30 DEEERN C=CCN(C(=O)NCCOc1ccc(C#N)cc1)[C@@H](C)COC ZINC000596410915 358681278 /nfs/dbraw/zinc/68/12/78/358681278.db2.gz VBFJYAREPCTZST-AWEZNQCLSA-N 0 0 317.389 2.170 10 30 DEEERN C=CCOCCCNC(=O)Nc1ccc([S@](C)=O)c(F)c1 ZINC000596768659 358757259 /nfs/dbraw/zinc/75/72/59/358757259.db2.gz ASSCSYOWAYLBLH-NRFANRHFSA-N 0 0 314.382 2.277 10 30 DEEERN C=CCCCCNC(=O)C(=O)Nc1cn(C)nc1-c1ccco1 ZINC000627489888 366532951 /nfs/dbraw/zinc/53/29/51/366532951.db2.gz NZSAHEBBLWTQHD-UHFFFAOYSA-N 0 0 316.361 2.091 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000597864759 359028765 /nfs/dbraw/zinc/02/87/65/359028765.db2.gz QBNFRPYXZCEBRQ-TZMCWYRMSA-N 0 0 319.361 2.008 10 30 DEEERN C=CCCSCCNC(=O)CN1C(=O)Cc2ccccc21 ZINC000597970358 359055039 /nfs/dbraw/zinc/05/50/39/359055039.db2.gz PISWPPYWYLBOQX-UHFFFAOYSA-N 0 0 304.415 2.001 10 30 DEEERN C=CCC1(C(=O)NCc2ccoc2C(=O)OC)CCOCC1 ZINC000598244452 359136387 /nfs/dbraw/zinc/13/63/87/359136387.db2.gz DKMRBRQBJGDART-UHFFFAOYSA-N 0 0 307.346 2.055 10 30 DEEERN CCc1nn(C)c(CN2CCN([C@@H](C#N)CC)CC2)c1Cl ZINC000089319705 192766117 /nfs/dbraw/zinc/76/61/17/192766117.db2.gz RCZXBIOWIFRVTH-GFCCVEGCSA-N 0 0 309.845 2.056 10 30 DEEERN C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC2(C1)CCCO2 ZINC000599217363 359435125 /nfs/dbraw/zinc/43/51/25/359435125.db2.gz BKAYRZLRMOMTKG-UHFFFAOYSA-N 0 0 321.384 2.372 10 30 DEEERN C=CC(C)(C)CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000599116747 359406693 /nfs/dbraw/zinc/40/66/93/359406693.db2.gz MSIQNTBVNQULMB-UHFFFAOYSA-N 0 0 313.379 2.256 10 30 DEEERN C=CCCn1cc(CN[C@]2(C(=O)OC)CCCC(C)(C)C2)nn1 ZINC000599556566 359525120 /nfs/dbraw/zinc/52/51/20/359525120.db2.gz MTLIPBLDEKGKFO-QGZVFWFLSA-N 0 0 320.437 2.456 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000599397901 359488021 /nfs/dbraw/zinc/48/80/21/359488021.db2.gz QULKLOJLLKORMV-UHFFFAOYSA-N 0 0 313.401 2.235 10 30 DEEERN C=CC[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188352503 200232651 /nfs/dbraw/zinc/23/26/51/200232651.db2.gz HVULMKMXMOHNEU-DOMZBBRYSA-N 0 0 319.380 2.190 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@H]2C[C@@H](O)C23CCC3)cc1 ZINC000619069020 363691945 /nfs/dbraw/zinc/69/19/45/363691945.db2.gz GYYDAOCGTXGXCK-JKSUJKDBSA-N 0 0 301.386 2.214 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000601068546 359911776 /nfs/dbraw/zinc/91/17/76/359911776.db2.gz MZYANBVSBWQZNL-CYBMUJFWSA-N 0 0 303.318 2.024 10 30 DEEERN Cn1ccnc1C[C@H]1CCCN(C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000188681033 200286522 /nfs/dbraw/zinc/28/65/22/200286522.db2.gz YBVPEBYMHZYUBN-CYBMUJFWSA-N 0 0 324.384 2.092 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc3oc(C)nc3c2)C1 ZINC000627734336 366604480 /nfs/dbraw/zinc/60/44/80/366604480.db2.gz QBOCFWAVCBCHOM-LBPRGKRZSA-N 0 0 313.357 2.499 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)Oc3ccccc32)C1 ZINC000627734859 366604721 /nfs/dbraw/zinc/60/47/21/366604721.db2.gz FEKZBKWPHKXPNE-KGLIPLIRSA-N 0 0 314.385 2.225 10 30 DEEERN C=CCCn1cc(CNc2ncc([N+](=O)[O-])cc2Cl)nn1 ZINC000601179163 359954152 /nfs/dbraw/zinc/95/41/52/359954152.db2.gz NOCIRVUXQYBBAU-UHFFFAOYSA-N 0 0 308.729 2.423 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[C@H]1CSC ZINC000601471014 360050352 /nfs/dbraw/zinc/05/03/52/360050352.db2.gz RPOFKAVZTVXROJ-ZDUSSCGKSA-N 0 0 312.479 2.449 10 30 DEEERN C=CCN(C(=O)c1cc(C(=O)OC(C)(C)C)nn1C)C1CC1 ZINC000601405698 360032273 /nfs/dbraw/zinc/03/22/73/360032273.db2.gz YHNGXSOFCZYQGP-UHFFFAOYSA-N 0 0 305.378 2.166 10 30 DEEERN C=C(C)C[C@H](NS(=O)(=O)c1cc(C)c(C)s1)C(=O)OC ZINC000601502156 360055506 /nfs/dbraw/zinc/05/55/06/360055506.db2.gz MAGNOUCDAZOCPG-NSHDSACASA-N 0 0 317.432 2.151 10 30 DEEERN C=C(C)C[C@@H](NS(=O)(=O)c1cccc(CC)c1)C(=O)OC ZINC000601501845 360055520 /nfs/dbraw/zinc/05/55/20/360055520.db2.gz HQFMJHKRHQZSQR-CQSZACIVSA-N 0 0 311.403 2.035 10 30 DEEERN C=C(C)C[C@H](NS(=O)(=O)c1cccc2ccoc21)C(=O)OC ZINC000601501101 360055580 /nfs/dbraw/zinc/05/55/80/360055580.db2.gz HXPMOHGJSYAUEH-LBPRGKRZSA-N 0 0 323.370 2.219 10 30 DEEERN C=C(C)C[C@@H](NS(=O)(=O)c1ccc(CC)cc1)C(=O)OC ZINC000601502401 360055590 /nfs/dbraw/zinc/05/55/90/360055590.db2.gz PQPJCBBDKURWRK-CQSZACIVSA-N 0 0 311.403 2.035 10 30 DEEERN C=CCC[C@H](NC(=O)c1cn2c(n1)C[C@H](C)CC2)C(=O)OCC ZINC000601623189 360091309 /nfs/dbraw/zinc/09/13/09/360091309.db2.gz YASHSPMUOOFAKT-OLZOCXBDSA-N 0 0 319.405 2.093 10 30 DEEERN COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H](C)[C@@H](OC)C1 ZINC000189361185 200387896 /nfs/dbraw/zinc/38/78/96/200387896.db2.gz BFVKVIWKBJFPAH-RCBQFDQVSA-N 0 0 302.374 2.129 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H](C)n1cnc2ccccc21)C(=O)OC ZINC000601776534 360143464 /nfs/dbraw/zinc/14/34/64/360143464.db2.gz BIWKLAXZLGFLIY-JSGCOSHPSA-N 0 0 315.373 2.221 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCc1nc2ccccc2[nH]1)C(=O)OC ZINC000601780451 360144460 /nfs/dbraw/zinc/14/44/60/360144460.db2.gz YDMRFTYTYRAXPJ-AWEZNQCLSA-N 0 0 315.373 2.120 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCOc1cccc(F)c1)C(=O)OC ZINC000601780646 360144603 /nfs/dbraw/zinc/14/46/03/360144603.db2.gz ZQOZTBAXFWERTN-AWEZNQCLSA-N 0 0 309.337 2.219 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cc1ccc(C)c(OC)c1)C(=O)OC ZINC000601779204 360144679 /nfs/dbraw/zinc/14/46/79/360144679.db2.gz RUURISARIIVKII-AWEZNQCLSA-N 0 0 305.374 2.170 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc2c(n1)CCCC2)C(=O)OC ZINC000601783918 360147549 /nfs/dbraw/zinc/14/75/49/360147549.db2.gz ZYUTYTAHIKUCPH-HNNXBMFYSA-N 0 0 302.374 2.198 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cccc2c1ccn2C)C(=O)OC ZINC000601785642 360148874 /nfs/dbraw/zinc/14/88/74/360148874.db2.gz MKWPYQIGTPTATL-AWEZNQCLSA-N 0 0 300.358 2.416 10 30 DEEERN C=C(C)C[C@@H](NC(=O)COCc1cccc(C)c1)C(=O)OC ZINC000601785624 360148914 /nfs/dbraw/zinc/14/89/14/360148914.db2.gz SYZQLERBTCQHEP-OAHLLOKOSA-N 0 0 305.374 2.136 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1COc2cc(F)ccc2C1)C(=O)OC ZINC000601786118 360149426 /nfs/dbraw/zinc/14/94/26/360149426.db2.gz WRMDWFZIUXVIEA-GXTWGEPZSA-N 0 0 321.348 2.001 10 30 DEEERN C=CCn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC000601855232 360175758 /nfs/dbraw/zinc/17/57/58/360175758.db2.gz QLVLCKRXHLNHDM-HZSPNIEDSA-N 0 0 301.394 2.444 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H](CC(C)C)n1ccnc1)C(=O)OC ZINC000602193584 360307058 /nfs/dbraw/zinc/30/70/58/360307058.db2.gz CAZOMTAZQYYABY-KBPBESRZSA-N 0 0 307.394 2.094 10 30 DEEERN C=CCCSCCNC(=O)C(=O)NCC[C@@H]1CC=CCC1 ZINC000602280085 360329054 /nfs/dbraw/zinc/32/90/54/360329054.db2.gz ASBJXNFUILLPEU-CQSZACIVSA-N 0 0 310.463 2.275 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC([C@@H]2CCCCO2)CC1 ZINC000619177777 363726973 /nfs/dbraw/zinc/72/69/73/363726973.db2.gz RBOFQWYMQRIZGI-SJORKVTESA-N 0 0 322.449 2.265 10 30 DEEERN C=C(C)C[C@@H](NCc1cc(OC)c2c(c1)OCCO2)C(=O)OC ZINC000602732105 360524482 /nfs/dbraw/zinc/52/44/82/360524482.db2.gz NZWLDVRCAZTFIM-CYBMUJFWSA-N 0 0 321.373 2.064 10 30 DEEERN C=C(C)C[C@H](N[C@@H]1CC[C@H](C(=O)OCC)[C@H](C)C1)C(=O)OC ZINC000602733447 360524813 /nfs/dbraw/zinc/52/48/13/360524813.db2.gz IIKPQLHEXNZRJN-KBXIAJHMSA-N 0 0 311.422 2.452 10 30 DEEERN C=C(C)C[C@H](NCc1ccc(-n2cncn2)c(C)c1)C(=O)OC ZINC000602735080 360525899 /nfs/dbraw/zinc/52/58/99/360525899.db2.gz SIHAMMGQRBJPQK-HNNXBMFYSA-N 0 0 314.389 2.173 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)NCC1CCC(C#N)CC1 ZINC000443223314 238109886 /nfs/dbraw/zinc/10/98/86/238109886.db2.gz GTQODMAPECOUEU-UHFFFAOYSA-N 0 0 317.414 2.475 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000603119655 360707898 /nfs/dbraw/zinc/70/78/98/360707898.db2.gz XSTXNVBVOBCVSP-QLFBSQMISA-N 0 0 318.373 2.022 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(C(F)(F)F)ccn1)C(=O)OC ZINC000603218406 360751522 /nfs/dbraw/zinc/75/15/22/360751522.db2.gz LQPBRICHRAGQGJ-LLVKDONJSA-N 0 0 316.279 2.338 10 30 DEEERN CNC(=S)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006179202 181317892 /nfs/dbraw/zinc/31/78/92/181317892.db2.gz NFSKAXIDHHMSBF-OVCLIPMQSA-N 0 0 304.331 2.283 10 30 DEEERN C[C@@H](NC(=O)C1CCCC1)C(=O)NCc1ccc(C#N)cc1F ZINC000609232130 361291195 /nfs/dbraw/zinc/29/11/95/361291195.db2.gz YRCDKWROECCIBY-LLVKDONJSA-N 0 0 317.364 2.008 10 30 DEEERN Cc1ncc(CNC(=O)NCc2ccc(C#N)cc2F)s1 ZINC000609240155 361291948 /nfs/dbraw/zinc/29/19/48/361291948.db2.gz PAHCTMSUCIWQAI-UHFFFAOYSA-N 0 0 304.350 2.462 10 30 DEEERN C=CCN(C(=O)[C@@H]1COc2cc(F)ccc2C1)[C@@H](C)COC ZINC000628054736 366705470 /nfs/dbraw/zinc/70/54/70/366705470.db2.gz BTRQPJTWJWYWLG-JSGCOSHPSA-N 0 0 307.365 2.426 10 30 DEEERN C=CCN(C(=O)Cn1cc(C)c(C(F)(F)F)n1)[C@@H](C)COC ZINC000628055158 366706099 /nfs/dbraw/zinc/70/60/99/366706099.db2.gz TVZHZBBIEYVPBB-NSHDSACASA-N 0 0 319.327 2.260 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)Cc1cn[nH]c1 ZINC000609624580 361329902 /nfs/dbraw/zinc/32/99/02/361329902.db2.gz OQWQLEQFBOLIDA-INIZCTEOSA-N 0 0 312.373 2.343 10 30 DEEERN N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH+]ccn3c2)c(F)c1 ZINC000610105772 361360079 /nfs/dbraw/zinc/36/00/79/361360079.db2.gz RVULRHBXJHMZDB-UHFFFAOYSA-N 0 0 316.317 2.146 10 30 DEEERN N#Cc1cc(C(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)ccn1 ZINC000193745444 201117629 /nfs/dbraw/zinc/11/76/29/201117629.db2.gz DRLFROWWGVYDQS-GOSISDBHSA-N 0 0 321.380 2.367 10 30 DEEERN N#Cc1cccc(CC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000610520610 361414875 /nfs/dbraw/zinc/41/48/75/361414875.db2.gz MMCHFSUQNBAWJY-MRXNPFEDSA-N 0 0 319.364 2.022 10 30 DEEERN C=CC(C)(C)CCNC(=O)COc1cccc(C(=O)NC)c1 ZINC000628314822 366806367 /nfs/dbraw/zinc/80/63/67/366806367.db2.gz ODVUWMKGJGYWFI-UHFFFAOYSA-N 0 0 304.390 2.144 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000628311483 366806497 /nfs/dbraw/zinc/80/64/97/366806497.db2.gz NTXNGUSSEBNXNR-GOEBONIOSA-N 0 0 315.417 2.320 10 30 DEEERN C=CC(C)(C)CCNC(=O)Cn1nnnc1-c1ccsc1 ZINC000628312129 366806581 /nfs/dbraw/zinc/80/65/81/366806581.db2.gz POESJZQLTSAMBF-UHFFFAOYSA-N 0 0 305.407 2.120 10 30 DEEERN C=CC(C)(C)CCNC(=O)CCc1c(C)nc2ncnn2c1C ZINC000628317889 366807979 /nfs/dbraw/zinc/80/79/79/366807979.db2.gz DNEUCDQQIAUBGC-UHFFFAOYSA-N 0 0 315.421 2.392 10 30 DEEERN C=CC(C)(C)CCNC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000628318129 366808006 /nfs/dbraw/zinc/80/80/06/366808006.db2.gz PMSMLGIYMONMCD-UHFFFAOYSA-N 0 0 313.401 2.195 10 30 DEEERN C=CCn1cc(C(=O)NCC2CCc3ccccc3CC2)nn1 ZINC000628320777 366808714 /nfs/dbraw/zinc/80/87/14/366808714.db2.gz IXYGJNOQZHLNDZ-UHFFFAOYSA-N 0 0 310.401 2.389 10 30 DEEERN C=CC(C)(C)CCNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000628318500 366809363 /nfs/dbraw/zinc/80/93/63/366809363.db2.gz HPCCSAFDFJGABU-ZIAGYGMSSA-N 0 0 320.433 2.270 10 30 DEEERN N#Cc1ccc(CNC(=O)NCc2ccc(F)cn2)c(F)c1 ZINC000610795486 361469274 /nfs/dbraw/zinc/46/92/74/361469274.db2.gz UJMZFOQQSGIXJK-UHFFFAOYSA-N 0 0 302.284 2.231 10 30 DEEERN CC1(C#N)CCN(C(=O)Nc2cnn(Cc3ccccn3)c2)CC1 ZINC000611557714 361629910 /nfs/dbraw/zinc/62/99/10/361629910.db2.gz LQJPKXMRTMSOCE-UHFFFAOYSA-N 0 0 324.388 2.484 10 30 DEEERN Cc1csc(C2(NC(=O)Cc3noc(C)c3C#N)CCC2)n1 ZINC000611528529 361623167 /nfs/dbraw/zinc/62/31/67/361623167.db2.gz QHGXEQZRWBTLFH-UHFFFAOYSA-N 0 0 316.386 2.358 10 30 DEEERN CC1(C#N)CCN(S(=O)(=O)C2Cc3ccccc3C2)CC1 ZINC000611541621 361625630 /nfs/dbraw/zinc/62/56/30/361625630.db2.gz FPTOSLJXUCGLJJ-UHFFFAOYSA-N 0 0 304.415 2.109 10 30 DEEERN C=C[C@H](C(=O)OC)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000619718611 363864467 /nfs/dbraw/zinc/86/44/67/363864467.db2.gz SBDIXELUXPQJTF-OAHLLOKOSA-N 0 0 308.447 2.156 10 30 DEEERN C=C[C@H](C(=O)OC)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000619722849 363866392 /nfs/dbraw/zinc/86/63/92/363866392.db2.gz DMPYKSJMZQSDRY-UKRRQHHQSA-N 0 0 303.406 2.126 10 30 DEEERN CC[C@H]1c2ccccc2CCN1C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000619592648 363836694 /nfs/dbraw/zinc/83/66/94/363836694.db2.gz QDDUTXWFQSWWSS-WFASDCNBSA-N 0 0 309.373 2.247 10 30 DEEERN COC(=O)Cc1cccc(C(=O)NCC2CCC(C#N)CC2)c1 ZINC000619660244 363850298 /nfs/dbraw/zinc/85/02/98/363850298.db2.gz KCGZWGIXLWWFLW-UHFFFAOYSA-N 0 0 314.385 2.462 10 30 DEEERN C[S@@](=O)c1ccc(C(=O)NCC2CCC(C#N)CC2)cc1 ZINC000619664039 363851241 /nfs/dbraw/zinc/85/12/41/363851241.db2.gz ZIISPVQEKMKQEY-LFCMPWLRSA-N 0 0 304.415 2.484 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000620305841 364014076 /nfs/dbraw/zinc/01/40/76/364014076.db2.gz SQHMMANJAMALGL-PHIMTYICSA-N 0 0 311.428 2.475 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000620302354 364012808 /nfs/dbraw/zinc/01/28/08/364012808.db2.gz ZOVKXIAUCLVWNR-MCIONIFRSA-N 0 0 324.380 2.381 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Cn2cnc3c(C)cccc3c2=O)C1 ZINC000628483934 366863899 /nfs/dbraw/zinc/86/38/99/366863899.db2.gz AEVKXILCUOTNFB-CQSZACIVSA-N 0 0 311.385 2.130 10 30 DEEERN C=CC[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)C1 ZINC000628485835 366864119 /nfs/dbraw/zinc/86/41/19/366864119.db2.gz UXJCJHWIELWIAU-HOTGVXAUSA-N 0 0 319.449 2.339 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CN2C(=O)c3ccc(C)cc3C2=O)C1 ZINC000628483674 366864160 /nfs/dbraw/zinc/86/41/60/366864160.db2.gz TVPCVZPARRPSAN-ZDUSSCGKSA-N 0 0 312.369 2.016 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2C)C1 ZINC000628482909 366864172 /nfs/dbraw/zinc/86/41/72/366864172.db2.gz BIVUDZQIXINLQJ-CYBMUJFWSA-N 0 0 307.415 2.437 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CN2c3ccccc3O[C@@H](C)C2=O)C1 ZINC000628484065 366864228 /nfs/dbraw/zinc/86/42/28/366864228.db2.gz CYYQWBOOXIVMSU-UONOGXRCSA-N 0 0 314.385 2.225 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2ccnc(O[C@H]3CCOC3)c2)C1 ZINC000628491459 366865233 /nfs/dbraw/zinc/86/52/33/366865233.db2.gz YSUDMQJWHGFALY-HIFRSBDPSA-N 0 0 302.374 2.288 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cc(Cn3cc(C)cn3)on2)C1 ZINC000628490345 366865246 /nfs/dbraw/zinc/86/52/46/366865246.db2.gz WLCHZPGTDIAASU-ZDUSSCGKSA-N 0 0 300.362 2.266 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)C1 ZINC000628487400 366865426 /nfs/dbraw/zinc/86/54/26/366865426.db2.gz DVFVBYMCYYQIPK-HZPDHXFCSA-N 0 0 321.465 2.489 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CCc2cccc(C(=O)NC)c2)C1 ZINC000628489529 366865457 /nfs/dbraw/zinc/86/54/57/366865457.db2.gz YMVZCPJWPDVZEJ-HNNXBMFYSA-N 0 0 300.402 2.403 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)C1 ZINC000628492557 366866265 /nfs/dbraw/zinc/86/62/65/366866265.db2.gz XIXFCAHQCSIUTB-TZMCWYRMSA-N 0 0 300.406 2.143 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cn(-c3cccc(OC)c3)nn2)C1 ZINC000628493327 366866489 /nfs/dbraw/zinc/86/64/89/366866489.db2.gz NPDAUEKRIDQCDI-CYBMUJFWSA-N 0 0 312.373 2.314 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)C1 ZINC000628492827 366866664 /nfs/dbraw/zinc/86/66/64/366866664.db2.gz CNMVUPCNOYSUMA-AGIUHOORSA-N 0 0 321.339 2.395 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc(C(F)(F)F)co1 ZINC000622876260 364818587 /nfs/dbraw/zinc/81/85/87/364818587.db2.gz YEGHNMJKTYBSSG-MRVPVSSYSA-N 0 0 305.256 2.103 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000623638947 365114312 /nfs/dbraw/zinc/11/43/12/365114312.db2.gz XYKLESUTYZTXAQ-JTQLQIEISA-N 0 0 321.343 2.051 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCCC1CCS(=O)(=O)CC1 ZINC000623833900 365191030 /nfs/dbraw/zinc/19/10/30/365191030.db2.gz BFNQSJFRULMMPM-UHFFFAOYSA-N 0 0 316.467 2.103 10 30 DEEERN CSC1(C#N)CCN(S(=O)(=O)c2cccs2)CC1 ZINC000091473231 193061505 /nfs/dbraw/zinc/06/15/05/193061505.db2.gz GUHODKZLQCBRIG-UHFFFAOYSA-N 0 0 302.446 2.158 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCN(c2nccnc2C)CC1 ZINC000624463435 365430207 /nfs/dbraw/zinc/43/02/07/365430207.db2.gz IVYLKSNUIWQPGT-UHFFFAOYSA-N 0 0 317.437 2.219 10 30 DEEERN COC[C@@H](NC(=O)c1ccc(C#N)n1C)c1ccc(F)cc1 ZINC000450006775 241345758 /nfs/dbraw/zinc/34/57/58/241345758.db2.gz VLGYOWKPGXPZKS-CQSZACIVSA-N 0 0 301.321 2.153 10 30 DEEERN C=C(C)[C@H](CC(=O)NCC(C)(C)C(=O)N1CCCC1)OCC ZINC000629064716 367066066 /nfs/dbraw/zinc/06/60/66/367066066.db2.gz YTPJFLVUXHDLSN-AWEZNQCLSA-N 0 0 310.438 2.123 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NC[C@H]1c2ccccc2C(=O)N1C ZINC000628954529 367025876 /nfs/dbraw/zinc/02/58/76/367025876.db2.gz LTOXVIKBSZVRFD-YJBOKZPZSA-N 0 0 316.401 2.158 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2nc3c(s2)CSCC3)C1=O ZINC000630515994 367700689 /nfs/dbraw/zinc/70/06/89/367700689.db2.gz KHEOAVJJHFJXNB-SECBINFHSA-N 0 0 309.416 2.323 10 30 DEEERN C/C=C/C[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)C(=O)OCC ZINC000450917235 242389815 /nfs/dbraw/zinc/38/98/15/242389815.db2.gz SQPYANFFQRPWQX-WXVIGYHGSA-N 0 0 304.390 2.475 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000450921301 242396409 /nfs/dbraw/zinc/39/64/09/242396409.db2.gz GMTSHMOBIZCXKV-CQSZACIVSA-N 0 0 314.389 2.001 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2ccc3c(c2)OCCCO3)C1=O ZINC000630507595 367695858 /nfs/dbraw/zinc/69/58/58/367695858.db2.gz WWBRYNMVELIYRA-GFCCVEGCSA-N 0 0 302.330 2.239 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2ccc3c(c2)OC(F)(F)O3)C1=O ZINC000630506398 367696475 /nfs/dbraw/zinc/69/64/75/367696475.db2.gz OKZKOJIRZGVPCT-SECBINFHSA-N 0 0 310.256 2.399 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@@H]2CCN(c3ccccc3)C2)C1=O ZINC000630967748 367941553 /nfs/dbraw/zinc/94/15/53/367941553.db2.gz NOKRVCLLBSBJOX-GDBMZVCRSA-N 0 0 313.401 2.400 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCc2ccc(C)c(OC)c2)C1=O ZINC000630972188 367943731 /nfs/dbraw/zinc/94/37/31/367943731.db2.gz GWUFPISWRWQRHM-AWEZNQCLSA-N 0 0 302.374 2.433 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H](CCOC)Cc2ccco2)C1=O ZINC000630975871 367946587 /nfs/dbraw/zinc/94/65/87/367946587.db2.gz AFLLHDGCCJCXSW-TZMCWYRMSA-N 0 0 306.362 2.114 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2COc3cccc(C)c3C2)C1=O ZINC000630984165 367950582 /nfs/dbraw/zinc/95/05/82/367950582.db2.gz AKXWUPIIDKKQDW-GXTWGEPZSA-N 0 0 300.358 2.185 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2C[C@H]2c2cccc(OC)c2)C1=O ZINC000630986033 367952328 /nfs/dbraw/zinc/95/23/28/367952328.db2.gz XXGKJNXGXCHHKR-SOUVJXGZSA-N 0 0 300.358 2.438 10 30 DEEERN CC#CCCNS(=O)(=O)c1cc(OC)cc(C(F)(F)F)c1 ZINC000451378859 242906081 /nfs/dbraw/zinc/90/60/81/242906081.db2.gz BIRAQLWWDWXRQB-UHFFFAOYSA-N 0 0 321.320 2.406 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000452504586 244348711 /nfs/dbraw/zinc/34/87/11/244348711.db2.gz RJLSJCLPIRGCNX-UWWQBHOKSA-N 0 0 321.392 2.294 10 30 DEEERN CC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000093475241 193257606 /nfs/dbraw/zinc/25/76/06/193257606.db2.gz MQGBJZARGSRHIQ-AWEZNQCLSA-N 0 0 306.387 2.081 10 30 DEEERN N#Cc1csc(CN2c3cc(F)cc(F)c3[C@H](N)C2=O)c1 ZINC000093687583 193289753 /nfs/dbraw/zinc/28/97/53/193289753.db2.gz SQIDFVRPJJTUAO-ZDUSSCGKSA-N 0 0 305.309 2.445 10 30 DEEERN CC(C)N[C@]1(C#N)CC[C@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093807041 193309116 /nfs/dbraw/zinc/30/91/16/193309116.db2.gz QCXHHJZMWLNNKX-SMDDNHRTSA-N 0 0 309.439 2.057 10 30 DEEERN CN[C@]1(C#N)CC[C@@H](Sc2ccc(S(C)(=O)=O)cc2)C1 ZINC000093807103 193310144 /nfs/dbraw/zinc/31/01/44/193310144.db2.gz MZCBSUCEIZZNLO-TZMCWYRMSA-N 0 0 310.444 2.216 10 30 DEEERN CCC1CCC(C#N)(NS(=O)(=O)CCOC(C)C)CC1 ZINC000093666013 193287354 /nfs/dbraw/zinc/28/73/54/193287354.db2.gz PYNXCJDFIDMBOG-UHFFFAOYSA-N 0 0 302.440 2.193 10 30 DEEERN CN(CCS(C)(=O)=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N ZINC000094298613 193357744 /nfs/dbraw/zinc/35/77/44/193357744.db2.gz NPNKLXMNLCBOEC-HZSPNIEDSA-N 0 0 300.468 2.317 10 30 DEEERN Cc1cc(C(=O)N2CCO[C@H](C#N)C2)sc1Br ZINC000094494481 193373651 /nfs/dbraw/zinc/37/36/51/193373651.db2.gz IGAGJBKKBQKFLU-MRVPVSSYSA-N 0 0 315.192 2.184 10 30 DEEERN Cc1cc(C(=O)N[C@H](C)[C@H]2CCCO2)sc1C#CCCO ZINC000094533729 193377393 /nfs/dbraw/zinc/37/73/93/193377393.db2.gz RFKCQZAMMJGPHK-CHWSQXEVSA-N 0 0 307.415 2.088 10 30 DEEERN Cc1cc(C(=O)N[C@H](C)c2ccncc2)sc1C#CCO ZINC000094533702 193377554 /nfs/dbraw/zinc/37/75/54/193377554.db2.gz MWLOZTDLZMYJLP-GFCCVEGCSA-N 0 0 300.383 2.286 10 30 DEEERN Cc1cscc1CNC(=O)c1ccc(F)cc1C#CCO ZINC000094883530 193405234 /nfs/dbraw/zinc/40/52/34/193405234.db2.gz LLNZGQCFWBJASL-UHFFFAOYSA-N 0 0 303.358 2.469 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(OC)c(C#N)c1 ZINC000248822022 284207471 /nfs/dbraw/zinc/20/74/71/284207471.db2.gz JLQSNXAFPICTGY-UNEWFSDZSA-N 0 0 314.385 2.340 10 30 DEEERN C=C(C)CCNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000453868938 245331703 /nfs/dbraw/zinc/33/17/03/245331703.db2.gz BEQDROBNKYVOJH-UHFFFAOYSA-N 0 0 324.764 2.148 10 30 DEEERN C=CC(C)(C)CNC(=O)C(=O)Nc1cc(F)cc(F)c1F ZINC000453879071 245337466 /nfs/dbraw/zinc/33/74/66/245337466.db2.gz JFAGNLGMNRPBCE-UHFFFAOYSA-N 0 0 300.280 2.371 10 30 DEEERN Cc1ccc(S(=O)(=O)OC[C@@H]2C[C@H]3CC[C@@H]2[C@@H](O)C3)cc1 ZINC000013466718 181853123 /nfs/dbraw/zinc/85/31/23/181853123.db2.gz VCJFSTFQGVERGM-VRKREXBASA-N 0 0 310.415 2.497 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)C(=O)Nc1csc2ccccc12 ZINC000454059960 245419722 /nfs/dbraw/zinc/41/97/22/245419722.db2.gz RKGJTADLNIJAPB-NSHDSACASA-N 0 0 318.398 2.283 10 30 DEEERN N#Cc1nc(N2CCCN(c3cccnn3)CC2)ccc1Cl ZINC000265872712 204937403 /nfs/dbraw/zinc/93/74/03/204937403.db2.gz ZQHZGZPTSOKKSA-UHFFFAOYSA-N 0 0 314.780 2.113 10 30 DEEERN CC(=O)[C@H](NC(=O)COc1cc(Cl)ccc1C#N)C(C)C ZINC000161663288 197510956 /nfs/dbraw/zinc/51/09/56/197510956.db2.gz JTRGKKSAOFCIQI-OAHLLOKOSA-N 0 0 308.765 2.320 10 30 DEEERN Cc1ccc(C#CCCO)c(C(=O)NCc2cscn2)c1 ZINC000161638572 197508925 /nfs/dbraw/zinc/50/89/25/197508925.db2.gz GCNDVEBPTVYPBZ-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N1CCN(C2CC2)CC1 ZINC000266431976 205341299 /nfs/dbraw/zinc/34/12/99/205341299.db2.gz VCJISAXJJPFASJ-UHFFFAOYSA-N 0 0 317.364 2.150 10 30 DEEERN C=C(Cl)CN1C(=O)[C@H](c2ccccc2)NC(=O)[C@@H]1C(C)C ZINC000161286953 197482192 /nfs/dbraw/zinc/48/21/92/197482192.db2.gz NASSXHUMNAHAJI-KBPBESRZSA-N 0 0 306.793 2.463 10 30 DEEERN C#CCNC(=O)[C@@H](C)Oc1c(C)cc(Br)cc1C=O ZINC000160790745 197439331 /nfs/dbraw/zinc/43/93/31/197439331.db2.gz ZUDCMORCVCXXBL-SNVBAGLBSA-N 0 0 324.174 2.087 10 30 DEEERN C=CCC1(CNC(=O)N[C@@H]2CCN(C(=O)NCC)C2)CCCC1 ZINC000454691795 246070460 /nfs/dbraw/zinc/07/04/60/246070460.db2.gz ZVZDOFJGKQZDKO-CQSZACIVSA-N 0 0 322.453 2.226 10 30 DEEERN C=C(C)CCNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000454938946 246273415 /nfs/dbraw/zinc/27/34/15/246273415.db2.gz UMXANCBQGLTGJG-GDBMZVCRSA-N 0 0 315.417 2.441 10 30 DEEERN C=CCC[C@@H](NC(=O)c1ccc(OC(C)C)cn1)C(=O)OCC ZINC000456598742 247301278 /nfs/dbraw/zinc/30/12/78/247301278.db2.gz BPPCWGGLVJJIBB-OAHLLOKOSA-N 0 0 320.389 2.497 10 30 DEEERN C=CCC[C@@H](NC(=O)CCc1ccccc1O)C(=O)OCC ZINC000456632488 247325482 /nfs/dbraw/zinc/32/54/82/247325482.db2.gz UDULFAJCUXFLRT-CQSZACIVSA-N 0 0 305.374 2.339 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000456755008 247399004 /nfs/dbraw/zinc/39/90/04/247399004.db2.gz JNAWSNRGFGEIOG-GFCCVEGCSA-N 0 0 308.334 2.050 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000456753545 247399234 /nfs/dbraw/zinc/39/92/34/247399234.db2.gz AGCKVWBIFAFEKY-GFCCVEGCSA-N 0 0 320.364 2.009 10 30 DEEERN N#CCCNC(=O)CNc1cc(Br)ccc1F ZINC000036752122 182840747 /nfs/dbraw/zinc/84/07/47/182840747.db2.gz XYOCXKYVEBCURC-UHFFFAOYSA-N 0 0 300.131 2.030 10 30 DEEERN COc1ccc(Br)cc1[C@H](C#N)N1CCOCC1 ZINC000037357399 182883611 /nfs/dbraw/zinc/88/36/11/182883611.db2.gz CZCWSEKVTZNJBB-LBPRGKRZSA-N 0 0 311.179 2.355 10 30 DEEERN COc1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1SC ZINC000457895683 248062991 /nfs/dbraw/zinc/06/29/91/248062991.db2.gz BRPQWJDLLNMGSU-SECBINFHSA-N 0 0 317.374 2.080 10 30 DEEERN C=CCC1(CNC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)CCCC1 ZINC000458424287 248302068 /nfs/dbraw/zinc/30/20/68/248302068.db2.gz RWCJISZBSRFQJW-KBPBESRZSA-N 0 0 307.438 2.466 10 30 DEEERN C=CCC1(CNC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)CCCC1 ZINC000458424292 248303950 /nfs/dbraw/zinc/30/39/50/248303950.db2.gz RWCJISZBSRFQJW-UONOGXRCSA-N 0 0 307.438 2.466 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000458623230 248405745 /nfs/dbraw/zinc/40/57/45/248405745.db2.gz QGKUZKQWUKYSKF-CAOSSQGBSA-N 0 0 310.438 2.303 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000487052020 248745361 /nfs/dbraw/zinc/74/53/61/248745361.db2.gz XCTAKMZLLHRIOH-HUUCEWRRSA-N 0 0 307.438 2.193 10 30 DEEERN C=CCCCN(C)C(=O)c1c(C)nn(C)c1-n1cc(C)cn1 ZINC000489011314 248820302 /nfs/dbraw/zinc/82/03/02/248820302.db2.gz KZDPUPOTNSQITR-UHFFFAOYSA-N 0 0 301.394 2.261 10 30 DEEERN CCCCNc1ncnc(N(CCC#N)CCC#N)c1[N+](=O)[O-] ZINC000040595039 183106718 /nfs/dbraw/zinc/10/67/18/183106718.db2.gz WFAUQPJNHCHVHP-UHFFFAOYSA-N 0 0 317.353 2.231 10 30 DEEERN Cc1ccccc1[C@H](C#N)N1CCN(C(=O)c2cccnc2)CC1 ZINC000041258358 183181523 /nfs/dbraw/zinc/18/15/23/183181523.db2.gz PQUUNXGQKJRXOK-SFHVURJKSA-N 0 0 320.396 2.413 10 30 DEEERN CCOc1ccc([C@@H](C#N)N2CCN(C(=O)CC)CC2)cc1 ZINC000041261174 183181872 /nfs/dbraw/zinc/18/18/72/183181872.db2.gz CKPQJFKQGKXEFG-MRXNPFEDSA-N 0 0 301.390 2.204 10 30 DEEERN C[C@H](CN(C)C(=O)c1cc(Cl)cc(Cl)c1)/C(N)=N/O ZINC000042458773 183272836 /nfs/dbraw/zinc/27/28/36/183272836.db2.gz ATSNUOQTSAKCKA-SSDOTTSWSA-N 0 0 304.177 2.448 10 30 DEEERN CC(C)CN(C(C)C)S(=O)(=O)c1cccc(C#CCO)c1 ZINC000042598186 183289842 /nfs/dbraw/zinc/28/98/42/183289842.db2.gz NGHROJRABASWQM-UHFFFAOYSA-N 0 0 309.431 2.086 10 30 DEEERN C=CCNC(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000042925030 183319402 /nfs/dbraw/zinc/31/94/02/183319402.db2.gz LQFSZAZAMRSPQG-UHFFFAOYSA-N 0 0 311.788 2.492 10 30 DEEERN C[C@@H](N(C)S(=O)(=O)c1cccc(C#CCO)c1)C(C)(C)C ZINC000042798013 183310901 /nfs/dbraw/zinc/31/09/01/183310901.db2.gz IVOBGPMTYNYXDS-CYBMUJFWSA-N 0 0 309.431 2.086 10 30 DEEERN CC(=O)Nc1nc(CC(=O)Nc2cccc(C#N)c2)cs1 ZINC000044174807 183397472 /nfs/dbraw/zinc/39/74/72/183397472.db2.gz FIRYWKKXQUGSME-UHFFFAOYSA-N 0 0 300.343 2.154 10 30 DEEERN CC1(NS(=O)(=O)c2cccc(C#CCO)c2)CCCCC1 ZINC000045047661 183477160 /nfs/dbraw/zinc/47/71/60/183477160.db2.gz XAZPGFSSWBAOKT-UHFFFAOYSA-N 0 0 307.415 2.032 10 30 DEEERN Cn1cc([C@@]2(C)CN(c3ccc(F)cc3C#N)CCO2)cn1 ZINC000268425174 206704921 /nfs/dbraw/zinc/70/49/21/206704921.db2.gz YPEWZHXUHBEIIE-MRXNPFEDSA-N 0 0 300.337 2.183 10 30 DEEERN CCN(C[C@H]1CCCO1)C(=O)c1ccc(C#CCCO)s1 ZINC000048969125 183700157 /nfs/dbraw/zinc/70/01/57/183700157.db2.gz RCNBKRHBUOYTDU-CYBMUJFWSA-N 0 0 307.415 2.123 10 30 DEEERN N#C[C@@]1(NCCCO)CCc2cc(Br)ccc2C1 ZINC000110830294 194362108 /nfs/dbraw/zinc/36/21/08/194362108.db2.gz TYFLBIOQSDPYJL-CQSZACIVSA-N 0 0 309.207 2.172 10 30 DEEERN C=C(C)CN(CC)C(=O)c1c(Cl)cccc1S(N)(=O)=O ZINC000111012879 194382886 /nfs/dbraw/zinc/38/28/86/194382886.db2.gz JGSOWOMLKRQRJU-UHFFFAOYSA-N 0 0 316.810 2.026 10 30 DEEERN N#Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2F)cc1 ZINC000059773071 184140790 /nfs/dbraw/zinc/14/07/90/184140790.db2.gz YPUVCLBWAQBOKA-UHFFFAOYSA-N 0 0 301.252 2.414 10 30 DEEERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)CCC#N ZINC000060617524 184152835 /nfs/dbraw/zinc/15/28/35/184152835.db2.gz ZFXOTSNGONTZOF-AWEZNQCLSA-N 0 0 321.808 2.466 10 30 DEEERN Cc1ccccc1C(=O)N[C@@H](C(=O)N(C)CCC#N)C(C)C ZINC000060617746 184152922 /nfs/dbraw/zinc/15/29/22/184152922.db2.gz AFCNJSUOZUOZKF-OAHLLOKOSA-N 0 0 301.390 2.122 10 30 DEEERN Cc1cccc(N)c1S(=O)(=O)N(C)c1ccc(C#N)cc1 ZINC000061979693 184199886 /nfs/dbraw/zinc/19/98/86/184199886.db2.gz FTHRCUNHPIBDJI-UHFFFAOYSA-N 0 0 301.371 2.274 10 30 DEEERN CN(c1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000061980132 184200030 /nfs/dbraw/zinc/20/00/30/184200030.db2.gz MLVVHAWKSVMHGB-UHFFFAOYSA-N 0 0 307.762 2.432 10 30 DEEERN CC(C)N[C@H](C#N)CCSc1ccc(S(C)(=O)=O)cc1 ZINC000063131773 184272277 /nfs/dbraw/zinc/27/22/77/184272277.db2.gz CZUFNBHEBBEHPL-LBPRGKRZSA-N 0 0 312.460 2.462 10 30 DEEERN N#Cc1ccc(NC(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000192945543 207370720 /nfs/dbraw/zinc/37/07/20/207370720.db2.gz OINVSSCVXMSOIJ-CYBMUJFWSA-N 0 0 322.372 2.342 10 30 DEEERN C=CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000116934303 194785354 /nfs/dbraw/zinc/78/53/54/194785354.db2.gz YTJQMKLBOLZSRE-RYUDHWBXSA-N 0 0 310.419 2.415 10 30 DEEERN C#CCOc1ccc(CN2Cc3ccccc3C[C@@H]2C(N)=O)cc1 ZINC000119817128 195042800 /nfs/dbraw/zinc/04/28/00/195042800.db2.gz DCQLOVPWNLLTRI-LJQANCHMSA-N 0 0 320.392 2.111 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3sccc3C#N)[C@@H]2C1 ZINC000120165311 195109644 /nfs/dbraw/zinc/10/96/44/195109644.db2.gz GTGJBSKASRDJIF-JHJVBQTASA-N 0 0 306.387 2.028 10 30 DEEERN C=CCN(CC=C)C(=O)CN1CCO[C@H](c2ccc(C)o2)C1 ZINC000159095541 197326847 /nfs/dbraw/zinc/32/68/47/197326847.db2.gz CAUNIUFVUCIWRO-INIZCTEOSA-N 0 0 304.390 2.162 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000286412192 218972835 /nfs/dbraw/zinc/97/28/35/218972835.db2.gz FZXKZOOHYDFGOY-MRVPVSSYSA-N 0 0 308.281 2.114 10 30 DEEERN N#Cc1cc(C(F)(F)F)ccc1NC(=O)[C@@H]1CSCN1 ZINC000158375501 197267300 /nfs/dbraw/zinc/26/73/00/197267300.db2.gz BUPXZTFVFBNNDU-JTQLQIEISA-N 0 0 301.293 2.178 10 30 DEEERN CC[C@H]1CN(C(=O)c2csc(C#CCCO)c2)CCS1 ZINC000157972799 197232022 /nfs/dbraw/zinc/23/20/22/197232022.db2.gz QKNAAHAPRYOXEN-ZDUSSCGKSA-N 0 0 309.456 2.450 10 30 DEEERN C[C@H]1CC(=O)CC[C@@H]1C(=O)NCCOc1ccc(C#N)cc1 ZINC000120310990 195141649 /nfs/dbraw/zinc/14/16/49/195141649.db2.gz UJXDUBMWHJTPIB-LRDDRELGSA-N 0 0 300.358 2.059 10 30 DEEERN CC(C)N(CCS(=O)(=O)c1cccc(C#N)c1)CC(F)F ZINC000156866512 197146715 /nfs/dbraw/zinc/14/67/15/197146715.db2.gz VDOGTVYJXMWGTJ-UHFFFAOYSA-N 0 0 316.373 2.307 10 30 DEEERN O=C(NC[C@H]1CCCCS1)c1csc(C#CCCO)c1 ZINC000156563663 197124113 /nfs/dbraw/zinc/12/41/13/197124113.db2.gz SJCRVQFHISWAHB-CQSZACIVSA-N 0 0 309.456 2.498 10 30 DEEERN C[C@H](NC(=O)[C@H]1CCCCS1)c1ccc(C#CCO)cc1 ZINC000156270767 197100557 /nfs/dbraw/zinc/10/05/57/197100557.db2.gz BEAJIMHUZYHOAO-XJKSGUPXSA-N 0 0 303.427 2.493 10 30 DEEERN N#Cc1cccc(CC(=O)NC[C@H](O)CCc2ccccc2)c1 ZINC000542454478 285225489 /nfs/dbraw/zinc/22/54/89/285225489.db2.gz AUOOOIOVQGDKMT-GOSISDBHSA-N 0 0 308.381 2.211 10 30 DEEERN CCN(C(=O)c1nc(C)c(C)[nH]c1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000154867687 197000168 /nfs/dbraw/zinc/00/01/68/197000168.db2.gz FUQCNLNFHVHTKF-ZDUSSCGKSA-N 0 0 324.384 2.482 10 30 DEEERN COC(=O)CN(CC#N)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000154527341 196971601 /nfs/dbraw/zinc/97/16/01/196971601.db2.gz XMWBUJCJDDIKAC-UHFFFAOYSA-N 0 0 318.373 2.140 10 30 DEEERN C#CCCCCNC(=O)[C@@H]1CCC[C@@H]1C(=O)NCCCCC#C ZINC000154225144 196949467 /nfs/dbraw/zinc/94/94/67/196949467.db2.gz IMZYPVSQTYLBEX-CALCHBBNSA-N 0 0 316.445 2.242 10 30 DEEERN C[C@@H](CNc1ccc(C#N)cc1Br)[S@](C)=O ZINC000120430817 195165158 /nfs/dbraw/zinc/16/51/58/195165158.db2.gz RWLQDWXMGQKROJ-ZKANADHPSA-N 0 0 301.209 2.500 10 30 DEEERN C=CCO[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1ccc2c(c1)OCO2 ZINC000253375125 257105312 /nfs/dbraw/zinc/10/53/12/257105312.db2.gz OPXNAJWEEKDBCE-KYJSFNMBSA-N 0 0 317.385 2.350 10 30 DEEERN COC(=O)[C@H]1C[C@H]2C[C@@H](OS(=O)(=O)c3ccc(C)cc3)[C@@H]1C2 ZINC000004321995 291950200 /nfs/dbraw/zinc/95/02/00/291950200.db2.gz TZTQRSNAEGJCTL-PMOUVXMZSA-N 0 0 324.398 2.288 10 30 DEEERN N#Cc1ccc(OCCNC(=O)[C@@H]2OCCc3ccccc32)cc1 ZINC000123084892 195541900 /nfs/dbraw/zinc/54/19/00/195541900.db2.gz CVBIZCQGQWWAHR-GOSISDBHSA-N 0 0 322.364 2.367 10 30 DEEERN C=C(C)COc1cc(F)c(S(N)(=O)=O)cc1Br ZINC000127748624 195907060 /nfs/dbraw/zinc/90/70/60/195907060.db2.gz QTBYVYHQZNABBI-UHFFFAOYSA-N 0 0 324.171 2.191 10 30 DEEERN N#Cc1ccnc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c1 ZINC000357423566 133077328 /nfs/dbraw/zinc/07/73/28/133077328.db2.gz KWHPABOJKXCMDT-LBPRGKRZSA-N 0 0 310.288 2.157 10 30 DEEERN N#Cc1c(F)cccc1CN1CCCN(c2cccnn2)CC1 ZINC000362281459 133221548 /nfs/dbraw/zinc/22/15/48/133221548.db2.gz XYWDPCJEQMNASU-UHFFFAOYSA-N 0 0 311.364 2.200 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCCC[C@H]1CN1CCCC1=O ZINC000362779152 133251063 /nfs/dbraw/zinc/25/10/63/133251063.db2.gz XOFAOJIAZSTSPN-ZDUSSCGKSA-N 0 0 317.414 2.237 10 30 DEEERN CC[C@]1(C2CC2)NC(=O)N(Cc2cc(F)ccc2C#N)C1=O ZINC000548197248 285703257 /nfs/dbraw/zinc/70/32/57/285703257.db2.gz FOJJLCCWHJDLBG-MRXNPFEDSA-N 0 0 301.321 2.308 10 30 DEEERN C[C@H](CC(=O)N1CC[C@]2(CNC(=O)C2)C1)NC(=O)C1CCCC1 ZINC000329871591 404477969 /nfs/dbraw/zinc/47/79/69/404477969.db2.gz AWQVFLXXVJHBPN-PXAZEXFGSA-N 0 0 321.421 2.491 10 30 DEEERN CC(C)OC(=O)CCCNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000120450446 144672853 /nfs/dbraw/zinc/67/28/53/144672853.db2.gz RZZVOWQGMOLBLK-ZDUSSCGKSA-N 0 0 318.373 2.174 10 30 DEEERN CCN(CC(F)F)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000186449375 144982837 /nfs/dbraw/zinc/98/28/37/144982837.db2.gz OCKWZLGWMADYJY-UHFFFAOYSA-N 0 0 308.737 2.487 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000186950066 144991731 /nfs/dbraw/zinc/99/17/31/144991731.db2.gz KARMATIXGOTFHV-UHFFFAOYSA-N 0 0 315.402 2.070 10 30 DEEERN CCN1CN(C(=O)c2ccccc2-c2ccccc2C#N)CC1=O ZINC000190533827 145043884 /nfs/dbraw/zinc/04/38/84/145043884.db2.gz HYAASEIRPXKUOA-UHFFFAOYSA-N 0 0 319.364 2.487 10 30 DEEERN CCc1nnc(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)[nH]1 ZINC000191584021 145061117 /nfs/dbraw/zinc/06/11/17/145061117.db2.gz GMJLMNOYUYQXRX-UHFFFAOYSA-N 0 0 309.373 2.259 10 30 DEEERN N#Cc1ccc([C@H](O)CN2CCO[C@@H](c3nccs3)C2)cc1 ZINC000246132046 145093501 /nfs/dbraw/zinc/09/35/01/145093501.db2.gz ZRUZBKGOKMUKPR-HUUCEWRRSA-N 0 0 315.398 2.122 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(Cc3cc(C#N)ccc3F)[C@H]2C1 ZINC000246400795 145101236 /nfs/dbraw/zinc/10/12/36/145101236.db2.gz HULHNEDTHJHAJB-HYVNUMGLSA-N 0 0 304.365 2.466 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(C#N)ccc1OC ZINC000248870080 145171176 /nfs/dbraw/zinc/17/11/76/145171176.db2.gz UREDLTNGQQMIEW-QRTARXTBSA-N 0 0 314.385 2.340 10 30 DEEERN N#Cc1cnn(CC(=O)Nc2ccc(Br)cc2)c1 ZINC000336789300 145397743 /nfs/dbraw/zinc/39/77/43/145397743.db2.gz ITPVVOZMEVNBQK-UHFFFAOYSA-N 0 0 305.135 2.156 10 30 DEEERN CCN(Cc1c[nH]c2ccccc12)C(=O)c1cnn(C)c1C#N ZINC000356965040 147011498 /nfs/dbraw/zinc/01/14/98/147011498.db2.gz DJOJYPQQXSLLBO-UHFFFAOYSA-N 0 0 307.357 2.435 10 30 DEEERN COC[C@@H]1CN(c2nc3c(cc2C#N)CCC3)CC(C)(C)O1 ZINC000408030298 148555429 /nfs/dbraw/zinc/55/54/29/148555429.db2.gz FSYFXLBPOYJWAH-AWEZNQCLSA-N 0 0 301.390 2.072 10 30 DEEERN N#Cc1ccccc1/C=C/C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000073921106 401724560 /nfs/dbraw/zinc/72/45/60/401724560.db2.gz CVJQJVBHQRNBFZ-VBROQKIQSA-N 0 0 310.275 2.097 10 30 DEEERN COc1cc(OC)cc([C@H]2CCN(c3cnc(C#N)cn3)C2)c1 ZINC000126626697 401701847 /nfs/dbraw/zinc/70/18/47/401701847.db2.gz VUTXPZBORKDZIA-LBPRGKRZSA-N 0 0 310.357 2.359 10 30 DEEERN Cc1csc(C2CCN(S(=O)(=O)CCCC#N)CC2)n1 ZINC000111338895 401711981 /nfs/dbraw/zinc/71/19/81/401711981.db2.gz JMEOKTKVGVZBFG-UHFFFAOYSA-N 0 0 313.448 2.265 10 30 DEEERN C[N@@H+]1CCc2c(-c3ccccc3)cc3c(c2C1)NC(=O)/C3=N\[O-] ZINC000013906022 401805243 /nfs/dbraw/zinc/80/52/43/401805243.db2.gz BDCMBYGTKWTEOB-UHFFFAOYSA-N 0 0 307.353 2.472 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000128522289 401780853 /nfs/dbraw/zinc/78/08/53/401780853.db2.gz WFMIJKIJXWCBBX-GFCCVEGCSA-N 0 0 307.419 2.067 10 30 DEEERN C=CCCCN(C)C(=O)CCc1c(C)nc2ncnn2c1C ZINC000076489596 401796702 /nfs/dbraw/zinc/79/67/02/401796702.db2.gz VHAZZGXQCPAXHS-UHFFFAOYSA-N 0 0 301.394 2.098 10 30 DEEERN COc1ccc(O)c(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000130397857 401830431 /nfs/dbraw/zinc/83/04/31/401830431.db2.gz RWOIAGAAFUDMQL-UHFFFAOYSA-N 0 0 324.336 2.176 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1(C(=O)OC)CC1 ZINC000130546607 401834997 /nfs/dbraw/zinc/83/49/97/401834997.db2.gz MGJYIHCLKANUGK-UHFFFAOYSA-N 0 0 318.329 2.063 10 30 DEEERN C[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(S(C)(=O)=O)cc1 ZINC000025695552 401836770 /nfs/dbraw/zinc/83/67/70/401836770.db2.gz YTCWDCDIRCSCEH-CHWSQXEVSA-N 0 0 305.403 2.184 10 30 DEEERN N#C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000116757496 401858122 /nfs/dbraw/zinc/85/81/22/401858122.db2.gz YGIKZFCLGVQYGS-LLVKDONJSA-N 0 0 323.736 2.435 10 30 DEEERN C=CCN(C)C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000119168461 401930835 /nfs/dbraw/zinc/93/08/35/401930835.db2.gz AJRSTTHIWYKJGE-UHFFFAOYSA-N 0 0 315.417 2.366 10 30 DEEERN C=CCCCN(C)C(=O)Nc1cc(-n2cnnn2)ccc1C ZINC000133497446 401888767 /nfs/dbraw/zinc/88/87/67/401888767.db2.gz KKZWMVVFBGENLU-UHFFFAOYSA-N 0 0 300.366 2.401 10 30 DEEERN N#CCCN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)CC1CC1 ZINC000081514832 401896619 /nfs/dbraw/zinc/89/66/19/401896619.db2.gz LQXSTXZNXKENGQ-CYBMUJFWSA-N 0 0 317.355 2.413 10 30 DEEERN C=CCC[C@@H](O)CN(C)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000036207076 401903190 /nfs/dbraw/zinc/90/31/90/401903190.db2.gz IYIDGSKHSWIMQC-GFCCVEGCSA-N 0 0 321.446 2.360 10 30 DEEERN COCCCNC(=O)[C@@H](C)SCc1ccc(OC)c(C#N)c1 ZINC000135349034 401937144 /nfs/dbraw/zinc/93/71/44/401937144.db2.gz DVWAPWVBCHQECZ-GFCCVEGCSA-N 0 0 322.430 2.341 10 30 DEEERN C#CCCCCNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000119513038 401955455 /nfs/dbraw/zinc/95/54/55/401955455.db2.gz KZNCYZYBZZANPP-JTQLQIEISA-N 0 0 313.323 2.453 10 30 DEEERN N#Cc1cccc(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000135456215 401940912 /nfs/dbraw/zinc/94/09/12/401940912.db2.gz HLFKQRUXJLYKBB-KRWDZBQOSA-N 0 0 308.337 2.478 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000135550757 401944336 /nfs/dbraw/zinc/94/43/36/401944336.db2.gz XDYSBXWTHVKLHM-BBRMVZONSA-N 0 0 320.414 2.053 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000135550742 401944346 /nfs/dbraw/zinc/94/43/46/401944346.db2.gz XDYSBXWTHVKLHM-CJNGLKHVSA-N 0 0 320.414 2.053 10 30 DEEERN N#CCOc1ccccc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119404752 401948202 /nfs/dbraw/zinc/94/82/02/401948202.db2.gz HNGXUYJLHNQUHP-RDTXWAMCSA-N 0 0 314.385 2.356 10 30 DEEERN N#Cc1cc(C(F)(F)F)ccc1NC[C@@H]1CCS(=O)(=O)C1 ZINC000050602899 402029216 /nfs/dbraw/zinc/02/92/16/402029216.db2.gz JPKBHDVDOFYXCL-VIFPVBQESA-N 0 0 318.320 2.424 10 30 DEEERN CSCCCC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000121400378 402033488 /nfs/dbraw/zinc/03/34/88/402033488.db2.gz MXMSZFDNBWGSDY-MRXNPFEDSA-N 0 0 317.458 2.366 10 30 DEEERN N#Cc1ccc(OCc2cccc(C(=O)N3CC(CO)C3)c2)cc1 ZINC000122744428 402093115 /nfs/dbraw/zinc/09/31/15/402093115.db2.gz WRQUVXJQECHLGD-UHFFFAOYSA-N 0 0 322.364 2.202 10 30 DEEERN N#Cc1ccc(CNC(=O)N2CCC(Cn3cccn3)CC2)cc1 ZINC000123218474 402116581 /nfs/dbraw/zinc/11/65/81/402116581.db2.gz HPEBFTMCDSLVAT-UHFFFAOYSA-N 0 0 323.400 2.377 10 30 DEEERN C#CCN(C(=O)N[C@@H]1CCCn2nc(CC)nc21)C1CCCC1 ZINC000124510463 402183228 /nfs/dbraw/zinc/18/32/28/402183228.db2.gz OIJHNHWTUXYUKE-CQSZACIVSA-N 0 0 315.421 2.263 10 30 DEEERN CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000153782366 402170263 /nfs/dbraw/zinc/17/02/63/402170263.db2.gz WNUIUMSTWCMSNI-GDBMZVCRSA-N 0 0 315.417 2.124 10 30 DEEERN Cn1nccc1C1CCN(C(=O)c2sccc2C#N)CC1 ZINC000124393563 402177918 /nfs/dbraw/zinc/17/79/18/402177918.db2.gz RGUDRRRLZLYECR-UHFFFAOYSA-N 0 0 300.387 2.373 10 30 DEEERN C[C@@H](Nc1cnc(C#N)cn1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000125727410 402247432 /nfs/dbraw/zinc/24/74/32/402247432.db2.gz XLDYUAVUWCLYBL-SECBINFHSA-N 0 0 320.349 2.064 10 30 DEEERN N#C[C@H](NC(=O)COc1cccc(Br)c1)C1CC1 ZINC000108830507 402262377 /nfs/dbraw/zinc/26/23/77/402262377.db2.gz NAKOTHYVLBGFRF-LBPRGKRZSA-N 0 0 309.163 2.246 10 30 DEEERN N#C[C@@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)C1CC1 ZINC000108832986 402262394 /nfs/dbraw/zinc/26/23/94/402262394.db2.gz XQJFTXJQSWJAQS-CQSZACIVSA-N 0 0 310.357 2.478 10 30 DEEERN Cc1c(C(=O)N[C@@H](C#N)C2CC2)nnn1-c1ccccc1Cl ZINC000108834259 402262507 /nfs/dbraw/zinc/26/25/07/402262507.db2.gz ZGJVJYHUQPEOLQ-LBPRGKRZSA-N 0 0 315.764 2.261 10 30 DEEERN C=C[C@H](C)NC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1 ZINC000155737446 402266050 /nfs/dbraw/zinc/26/60/50/402266050.db2.gz WPZCPPGGWOETJW-WMLDXEAASA-N 0 0 323.396 2.113 10 30 DEEERN N#Cc1ccccc1OCC(=O)N1CCC(Cn2cccn2)CC1 ZINC000126305437 402274655 /nfs/dbraw/zinc/27/46/55/402274655.db2.gz RYOFACTZJGCQIV-UHFFFAOYSA-N 0 0 324.384 2.072 10 30 DEEERN COC(=O)c1ccc(F)c(NC(=O)c2cc(C#N)cn2C)c1 ZINC000176623216 402324168 /nfs/dbraw/zinc/32/41/68/402324168.db2.gz GOVMIZXWABIWMN-UHFFFAOYSA-N 0 0 301.277 2.075 10 30 DEEERN C#CCCCCNC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000156363742 402281163 /nfs/dbraw/zinc/28/11/63/402281163.db2.gz JRBUBNLKLDFQII-ZDUSSCGKSA-N 0 0 320.339 2.237 10 30 DEEERN Cc1cnc(CCN(C)CC(=O)Nc2ccc(C#N)cc2)s1 ZINC000157313773 402293838 /nfs/dbraw/zinc/29/38/38/402293838.db2.gz KVBOJNXSZMQEGS-UHFFFAOYSA-N 0 0 314.414 2.436 10 30 DEEERN CC(C)CCN(CCC#N)C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000176336283 402301112 /nfs/dbraw/zinc/30/11/12/402301112.db2.gz YPCKNBGSWNLICL-UHFFFAOYSA-N 0 0 312.373 2.325 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1cccnc1N1CCOCC1 ZINC000185050014 402320064 /nfs/dbraw/zinc/32/00/64/402320064.db2.gz RXLQHWWTHOCWLG-CQSZACIVSA-N 0 0 303.406 2.137 10 30 DEEERN N#C[C@H](NC(=O)c1cccc2c1OCC(=O)N2)C1CCCCC1 ZINC000176576545 402320556 /nfs/dbraw/zinc/32/05/56/402320556.db2.gz TZSDZJGHGXWJGZ-AWEZNQCLSA-N 0 0 313.357 2.220 10 30 DEEERN CN(C)C(=O)Sc1ccc(CN2CCO[C@@H](C#N)C2)cc1 ZINC000176920052 402350495 /nfs/dbraw/zinc/35/04/95/402350495.db2.gz ZIKGKSQXDNXRCX-ZDUSSCGKSA-N 0 0 305.403 2.185 10 30 DEEERN COc1ccccc1N1CC[C@H](NC(=O)C2(C#N)CCCC2)C1 ZINC000161137251 402374713 /nfs/dbraw/zinc/37/47/13/402374713.db2.gz DJVHGYYFQFSRLN-AWEZNQCLSA-N 0 0 313.401 2.474 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000185820032 402380193 /nfs/dbraw/zinc/38/01/93/402380193.db2.gz SCXBOANZCRMBQJ-GOEBONIOSA-N 0 0 302.374 2.015 10 30 DEEERN C=CC[C@H](CO)NC(=O)COc1ccc(/C=C/C)cc1OC ZINC000185865745 402383918 /nfs/dbraw/zinc/38/39/18/402383918.db2.gz ZRQXEOIARTVBMY-YVARQFDVSA-N 0 0 305.374 2.160 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cccnc1SC(F)(F)F ZINC000185883228 402385909 /nfs/dbraw/zinc/38/59/09/402385909.db2.gz CDEXBJNSGHYHDO-MRVPVSSYSA-N 0 0 306.309 2.360 10 30 DEEERN Cc1ccc(C#N)c(N[C@@H](C)Cn2ncc3ccccc3c2=O)n1 ZINC000162187531 402412771 /nfs/dbraw/zinc/41/27/71/402412771.db2.gz LIOJXOINQIGYOC-ZDUSSCGKSA-N 0 0 319.368 2.472 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@@H]2CCCn3nc(C)nc32)cc1 ZINC000177731092 402431010 /nfs/dbraw/zinc/43/10/10/402431010.db2.gz RZMDSOXWJPPURH-OAHLLOKOSA-N 0 0 312.373 2.416 10 30 DEEERN C=C(C)COCCNC(=O)N[C@H](C)COCc1ccccc1 ZINC000178003145 402451653 /nfs/dbraw/zinc/45/16/53/402451653.db2.gz POXJNMNEGTXYFA-OAHLLOKOSA-N 0 0 306.406 2.484 10 30 DEEERN N#Cc1ccc(CNC(=O)N2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000177924654 402444694 /nfs/dbraw/zinc/44/46/94/402444694.db2.gz VXOTVSRERZOBNY-KRWDZBQOSA-N 0 0 322.368 2.316 10 30 DEEERN CCO[C@H]1C[C@H](NC(=O)c2cccc(C#N)c2)C12CCOCC2 ZINC000187079939 402481711 /nfs/dbraw/zinc/48/17/11/402481711.db2.gz NCNAAZBUYCXRNV-HOTGVXAUSA-N 0 0 314.385 2.262 10 30 DEEERN C#CCOc1ccc(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000178352946 402487930 /nfs/dbraw/zinc/48/79/30/402487930.db2.gz PNRKKFDLDLPRIX-ZWKOTPCHSA-N 0 0 307.349 2.087 10 30 DEEERN C=C(C)CN(CC)C(=O)C[S@](=O)Cc1ccc(C)nc1C ZINC000187215394 402488351 /nfs/dbraw/zinc/48/83/51/402488351.db2.gz WYQJYOGWQOOIDL-OAQYLSRUSA-N 0 0 308.447 2.372 10 30 DEEERN C=C(C)CS(=O)(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000189692025 402552955 /nfs/dbraw/zinc/55/29/55/402552955.db2.gz ZBDYQVMFFKVSDE-UHFFFAOYSA-N 0 0 311.407 2.212 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(F)cc3C#N)[C@H]2C1 ZINC000246179340 402516454 /nfs/dbraw/zinc/51/64/54/402516454.db2.gz DALJONRXOAZKOF-IKGGRYGDSA-N 0 0 304.365 2.466 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000248389366 402589030 /nfs/dbraw/zinc/58/90/30/402589030.db2.gz ARCKURLQTMPMCE-RDBSUJKOSA-N 0 0 300.358 2.370 10 30 DEEERN C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(N)=O ZINC000171838571 402627476 /nfs/dbraw/zinc/62/74/76/402627476.db2.gz RUPQYAPVDDCAKH-LLVKDONJSA-N 0 0 324.340 2.346 10 30 DEEERN Cc1ccnc2c1NC(=O)CN2C(=O)CCc1ccc(C#N)cc1 ZINC000180856178 402628032 /nfs/dbraw/zinc/62/80/32/402628032.db2.gz KDUNAEMWVKAJGT-UHFFFAOYSA-N 0 0 320.352 2.180 10 30 DEEERN N#Cc1cccc(CNC(=O)N[C@H]2Cc3ccccc3[C@H]2O)c1 ZINC000171751284 402618546 /nfs/dbraw/zinc/61/85/46/402618546.db2.gz BTMIVKWTDPAPDC-DLBZAZTESA-N 0 0 307.353 2.016 10 30 DEEERN N#Cc1cccc(CNC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000171751294 402618699 /nfs/dbraw/zinc/61/86/99/402618699.db2.gz BTMIVKWTDPAPDC-SJORKVTESA-N 0 0 307.353 2.016 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000181088773 402635284 /nfs/dbraw/zinc/63/52/84/402635284.db2.gz FWJROERTLRVBQO-JYJNAYRXSA-N 0 0 309.454 2.093 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](C(F)(F)F)C1 ZINC000249722078 402638881 /nfs/dbraw/zinc/63/88/81/402638881.db2.gz NDSXXEHAJCQJEO-NWDGAFQWSA-N 0 0 305.344 2.269 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cc1 ZINC000172433743 402655559 /nfs/dbraw/zinc/65/55/59/402655559.db2.gz BTCDMXYLKSZCKX-KBPBESRZSA-N 0 0 302.374 2.025 10 30 DEEERN C=CC1CCN(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)CC1 ZINC000181753855 402656653 /nfs/dbraw/zinc/65/66/53/402656653.db2.gz YCVYNTJFNODXNP-CQSZACIVSA-N 0 0 317.437 2.324 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000182772973 402715375 /nfs/dbraw/zinc/71/53/75/402715375.db2.gz DSHVYNZDDGELGY-GFCCVEGCSA-N 0 0 302.296 2.442 10 30 DEEERN CCCNC(=O)c1c(N=Cc2ccccc2OC)cnn1C ZINC000254477965 402670876 /nfs/dbraw/zinc/67/08/76/402670876.db2.gz BODAGQYKSHMFSZ-UHFFFAOYSA-N 0 0 300.362 2.319 10 30 DEEERN O=C1[C@H]([n+]2cccc([O-])c2)CCN1c1ccc(F)c(Cl)c1 ZINC000182242255 402675245 /nfs/dbraw/zinc/67/52/45/402675245.db2.gz SUYIEBWOZCEIPZ-CQSZACIVSA-O 0 0 307.732 2.450 10 30 DEEERN N#CC1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000173334199 402692734 /nfs/dbraw/zinc/69/27/34/402692734.db2.gz UKYQXDHQDDTPDB-CABCVRRESA-N 0 0 312.369 2.323 10 30 DEEERN C#CCCCNC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000183122923 402741397 /nfs/dbraw/zinc/74/13/97/402741397.db2.gz HRYFCMZFUWDNRJ-AWEZNQCLSA-N 0 0 315.421 2.264 10 30 DEEERN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCOC[C@@H]1C ZINC000193975970 402780885 /nfs/dbraw/zinc/78/08/85/402780885.db2.gz MEEVKNUPDAYNJZ-YOEHRIQHSA-N 0 0 316.401 2.206 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000183220734 402747810 /nfs/dbraw/zinc/74/78/10/402747810.db2.gz SZWKMMAHCYNNNP-BRWVUGGUSA-N 0 0 318.417 2.391 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)CCc1ccc(OC)cc1 ZINC000183244822 402749564 /nfs/dbraw/zinc/74/95/64/402749564.db2.gz VPKBIKBRLFZAIZ-HIFRSBDPSA-N 0 0 306.406 2.253 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cnn(-c2ccccc2F)c1C ZINC000183300264 402754651 /nfs/dbraw/zinc/75/46/51/402754651.db2.gz VCUDBUVJWNUHMW-LBPRGKRZSA-N 0 0 318.352 2.378 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000183617485 402782189 /nfs/dbraw/zinc/78/21/89/402782189.db2.gz BQZPMGOUJZDOJD-YPMHNXCESA-N 0 0 312.797 2.344 10 30 DEEERN CC(C)[C@@H](NC(=O)c1ccnc(C#N)c1)c1nc(C2CC2)no1 ZINC000193125346 402765886 /nfs/dbraw/zinc/76/58/86/402765886.db2.gz QTRAWFRHGIOFSS-CYBMUJFWSA-N 0 0 311.345 2.341 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1cc(C)ccc1OC(F)F ZINC000183720728 402792332 /nfs/dbraw/zinc/79/23/32/402792332.db2.gz OHNPVSUSLPDFPM-LBPRGKRZSA-N 0 0 314.332 2.333 10 30 DEEERN CS(=O)(=O)c1ccc(NCc2c(F)cc(C#N)cc2F)cn1 ZINC000194415868 402796395 /nfs/dbraw/zinc/79/63/95/402796395.db2.gz OMRSTDZVGVZAHN-UHFFFAOYSA-N 0 0 323.324 2.247 10 30 DEEERN CC[C@@H](CC#N)NC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000183937847 402806238 /nfs/dbraw/zinc/80/62/38/402806238.db2.gz BVVDQQCEDRJDPN-JQWIXIFHSA-N 0 0 321.327 2.126 10 30 DEEERN Cc1cc(C)c(NC(=O)CNC(=O)c2ccnc(C#N)c2)c(C)c1 ZINC000195028030 402827324 /nfs/dbraw/zinc/82/73/24/402827324.db2.gz JZZZHFGWTCLKNX-UHFFFAOYSA-N 0 0 322.368 2.247 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000183638317 402784214 /nfs/dbraw/zinc/78/42/14/402784214.db2.gz KCAQOLMNHBIRBG-ZFWWWQNUSA-N 0 0 314.389 2.170 10 30 DEEERN CCCCO[C@@H](C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183657813 402785830 /nfs/dbraw/zinc/78/58/30/402785830.db2.gz VXNMXWCAENGGPW-LBPRGKRZSA-N 0 0 313.361 2.283 10 30 DEEERN CCc1cnccc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183674044 402787579 /nfs/dbraw/zinc/78/75/79/402787579.db2.gz MCNURWDWJIBWNV-UHFFFAOYSA-N 0 0 318.340 2.349 10 30 DEEERN COC[C@H]1CCCN(C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000175977706 402845999 /nfs/dbraw/zinc/84/59/99/402845999.db2.gz XFVZKWOCLQWOMO-HNNXBMFYSA-N 0 0 317.389 2.005 10 30 DEEERN C#CCC(CC#C)C(=O)NCC(=O)Nc1ccc(C)cc1Cl ZINC000278930640 402887375 /nfs/dbraw/zinc/88/73/75/402887375.db2.gz STMBICJUEOAEOU-UHFFFAOYSA-N 0 0 316.788 2.366 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N(C)C[C@@H]1CCCO1 ZINC000265115720 402895154 /nfs/dbraw/zinc/89/51/54/402895154.db2.gz BMFQCELGFBSNLK-HNNXBMFYSA-N 0 0 302.374 2.019 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC000279310432 402929363 /nfs/dbraw/zinc/92/93/63/402929363.db2.gz NIODTRTVKIRUMI-UXIGCNINSA-N 0 0 305.378 2.191 10 30 DEEERN C=CCCCN(C)C(=O)NCCS(=O)(=O)Cc1ccccc1 ZINC000265612499 402933529 /nfs/dbraw/zinc/93/35/29/402933529.db2.gz OHGIIXCDARHZPU-UHFFFAOYSA-N 0 0 324.446 2.209 10 30 DEEERN C=C(C)CS(=O)(=O)N[C@@H](CC(=O)OCC)c1ccccc1 ZINC000280543359 403011249 /nfs/dbraw/zinc/01/12/49/403011249.db2.gz IEPXZNSXEKUCLA-AWEZNQCLSA-N 0 0 311.403 2.176 10 30 DEEERN C=CCN1CC[C@H](N(C)C/C=C/c2ccccc2OC)C1=O ZINC000281383665 403067270 /nfs/dbraw/zinc/06/72/70/403067270.db2.gz WJUBVZMEAYPMSN-DYLHUKMJSA-N 0 0 300.402 2.427 10 30 DEEERN Cn1cc([C@@]2(C)CN(c3cccc(F)c3C#N)CCO2)cn1 ZINC000268386207 403078618 /nfs/dbraw/zinc/07/86/18/403078618.db2.gz KWLSRQWWGNCLJB-MRXNPFEDSA-N 0 0 300.337 2.183 10 30 DEEERN C=CCN1CC[C@H](N2CCC[C@H]2c2noc(C(C)C)n2)C1=O ZINC000282037293 403116077 /nfs/dbraw/zinc/11/60/77/403116077.db2.gz QNTFFBQFFPUZCH-STQMWFEESA-N 0 0 304.394 2.117 10 30 DEEERN C=CCn1c(C2CCC2)nnc1N1CC[C@](O)(C(F)(F)F)C1 ZINC000282133812 403125487 /nfs/dbraw/zinc/12/54/87/403125487.db2.gz AWMHSEDQCLMJBO-CYBMUJFWSA-N 0 0 316.327 2.235 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC000283123629 403173428 /nfs/dbraw/zinc/17/34/28/403173428.db2.gz BYYVSVNZAVKRMC-MCIONIFRSA-N 0 0 306.410 2.034 10 30 DEEERN C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC ZINC000282207582 403132585 /nfs/dbraw/zinc/13/25/85/403132585.db2.gz HMYXRWKUXVCJHL-AWEZNQCLSA-N 0 0 300.362 2.433 10 30 DEEERN C=CCn1c(C)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000282245346 403136229 /nfs/dbraw/zinc/13/62/29/403136229.db2.gz KICZBWHRDBBTDR-YPMHNXCESA-N 0 0 321.425 2.122 10 30 DEEERN C=CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC000282290146 403140535 /nfs/dbraw/zinc/14/05/35/403140535.db2.gz NSRDBTIVFUMVCC-CYBMUJFWSA-N 0 0 320.437 2.442 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC=C(Br)C1 ZINC000282360053 403146636 /nfs/dbraw/zinc/14/66/36/403146636.db2.gz VCYMSVGVIFVRCD-VXGBXAGGSA-N 0 0 300.196 2.479 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000277324915 403205511 /nfs/dbraw/zinc/20/55/11/403205511.db2.gz GAPRXSWXSODSBR-UHFFFAOYSA-N 0 0 322.408 2.070 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(C)CC1 ZINC000283665649 403213655 /nfs/dbraw/zinc/21/36/55/403213655.db2.gz QSKMXVHJOQBRGW-CQSZACIVSA-N 0 0 306.410 2.178 10 30 DEEERN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000277518455 403226397 /nfs/dbraw/zinc/22/63/97/403226397.db2.gz GKGLRXMHYRNHMR-RHSMWYFYSA-N 0 0 304.438 2.416 10 30 DEEERN C#CC[C@H](NC(=O)N1CCN(CC(F)F)CC1)c1ccccc1 ZINC000270378015 403185684 /nfs/dbraw/zinc/18/56/84/403185684.db2.gz FLUQESSWLTXDRG-HNNXBMFYSA-N 0 0 321.371 2.343 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1CCC(Cn2cccn2)CC1 ZINC000283429503 403197172 /nfs/dbraw/zinc/19/71/72/403197172.db2.gz HERBHPPERAQJQF-UHFFFAOYSA-N 0 0 312.421 2.455 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCS(=O)(=O)C(CC)(CC)C1 ZINC000331194696 403349869 /nfs/dbraw/zinc/34/98/69/403349869.db2.gz WOWSFDLFRLRRAQ-CYBMUJFWSA-N 0 0 301.452 2.405 10 30 DEEERN C=CCCCCCCNC(=O)C(=O)Nc1cn(C)nc1C1CC1 ZINC000292160573 403309126 /nfs/dbraw/zinc/30/91/26/403309126.db2.gz XSOLCAKROFFNHZ-UHFFFAOYSA-N 0 0 318.421 2.489 10 30 DEEERN C=CCC(C)(C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000292234324 403328385 /nfs/dbraw/zinc/32/83/85/403328385.db2.gz DBEKBJYLYYRPKL-AWEZNQCLSA-N 0 0 304.438 2.416 10 30 DEEERN C=CCSc1ccccc1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000345443054 403336807 /nfs/dbraw/zinc/33/68/07/403336807.db2.gz GHRPSSUGLKSTSB-KRWDZBQOSA-N 0 0 316.426 2.317 10 30 DEEERN C=CCCN(C)C(=O)C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000345793267 403486742 /nfs/dbraw/zinc/48/67/42/403486742.db2.gz GELIWAMIWMLZLP-LLVKDONJSA-N 0 0 310.344 2.219 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1(OC)CCC1 ZINC000286688894 403542856 /nfs/dbraw/zinc/54/28/56/403542856.db2.gz IIDSTWNIPRRHNX-INIZCTEOSA-N 0 0 300.402 2.489 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCC1(c2ccc(OC)cc2)CCC1 ZINC000346439598 403590204 /nfs/dbraw/zinc/59/02/04/403590204.db2.gz QIOOIVFEWJOQIZ-HNNXBMFYSA-N 0 0 318.417 2.353 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1scc(C)c1C(=O)OC ZINC000287456608 403603206 /nfs/dbraw/zinc/60/32/06/403603206.db2.gz DAHXPDHIVSCIPC-UHFFFAOYSA-N 0 0 324.402 2.206 10 30 DEEERN C=CCOc1ccc(CNC(=O)NCc2ncccc2O)cc1 ZINC000347133212 403617554 /nfs/dbraw/zinc/61/75/54/403617554.db2.gz MUTNKCFNOQMCQZ-UHFFFAOYSA-N 0 0 313.357 2.351 10 30 DEEERN CN1CCN(C(=O)N[C@H]2CCCCC23CCCC3)C[C@H]1C#N ZINC000332869495 403628151 /nfs/dbraw/zinc/62/81/51/403628151.db2.gz LNFGYJRORVBHRH-CABCVRRESA-N 0 0 304.438 2.339 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCCC[C@@H]1CC(=O)NCC)OCC ZINC000347290013 403652208 /nfs/dbraw/zinc/65/22/08/403652208.db2.gz LUBPUHWFGJUOBS-CABCVRRESA-N 0 0 310.438 2.265 10 30 DEEERN C=CC[C@H](CO)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000302163403 403709029 /nfs/dbraw/zinc/70/90/29/403709029.db2.gz ZCRYBJFVUCQBHN-MRVPVSSYSA-N 0 0 302.128 2.101 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000287841844 403677530 /nfs/dbraw/zinc/67/75/30/403677530.db2.gz CPYDWCSKWRYADY-KRWDZBQOSA-N 0 0 321.380 2.441 10 30 DEEERN N#Cc1cc2c(nc1NCCc1nnc3n1CCC3)CCCC2 ZINC000333213985 403696963 /nfs/dbraw/zinc/69/69/63/403696963.db2.gz CBXYWCDQRRSPOV-UHFFFAOYSA-N 0 0 308.389 2.024 10 30 DEEERN COc1ccc([C@@H](Nc2ccc(C#N)nn2)c2nccn2C)cc1 ZINC000301939599 403703654 /nfs/dbraw/zinc/70/36/54/403703654.db2.gz TWFAZQFRUGHRIM-MRXNPFEDSA-N 0 0 320.356 2.292 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@H](C)Oc1ccc(F)cc1 ZINC000287995093 403705892 /nfs/dbraw/zinc/70/58/92/403705892.db2.gz KATYAFPDOMESMQ-ZDUSSCGKSA-N 0 0 322.380 2.134 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000288778010 403767055 /nfs/dbraw/zinc/76/70/55/403767055.db2.gz YCQHFQKFJYFBHN-UHFFFAOYSA-N 0 0 317.392 2.420 10 30 DEEERN N#Cc1nc(Oc2ccc(C=O)cc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000302724245 403715696 /nfs/dbraw/zinc/71/56/96/403715696.db2.gz MUDIMZZFEUHPJH-UHFFFAOYSA-N 0 0 314.213 2.374 10 30 DEEERN C#CCNC(=O)CNc1ccc2cccc(Br)c2n1 ZINC000302736894 403718739 /nfs/dbraw/zinc/71/87/39/403718739.db2.gz PGYFAFPJDOQVQD-UHFFFAOYSA-N 0 0 318.174 2.159 10 30 DEEERN N#Cc1nc(NCC[C@@H]2C(=O)Nc3ccccc32)ccc1[N+](=O)[O-] ZINC000302744297 403720029 /nfs/dbraw/zinc/72/00/29/403720029.db2.gz SGIXUZDVQPXFTE-NSHDSACASA-N 0 0 323.312 2.399 10 30 DEEERN C#CCC(CC#C)C(=O)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000288158208 403736675 /nfs/dbraw/zinc/73/66/75/403736675.db2.gz MSJJENRRXRRXIT-KRWDZBQOSA-N 0 0 322.408 2.161 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC(Oc2ncccc2F)CC1 ZINC000288414067 403749928 /nfs/dbraw/zinc/74/99/28/403749928.db2.gz LPLQZXUWBRHGQR-UHFFFAOYSA-N 0 0 314.360 2.253 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000361904784 403910520 /nfs/dbraw/zinc/91/05/20/403910520.db2.gz FQRJLXQPJZQNBJ-LBPRGKRZSA-N 0 0 306.410 2.343 10 30 DEEERN C=CCSc1ccccc1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000362398959 403952617 /nfs/dbraw/zinc/95/26/17/403952617.db2.gz YBYSLTVSYMIIEM-LBPRGKRZSA-N 0 0 304.415 2.315 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N(CC(C)C)C(C)C ZINC000289645410 403989866 /nfs/dbraw/zinc/98/98/66/403989866.db2.gz LJJWRAIHWDVDGB-AWEZNQCLSA-N 0 0 308.426 2.423 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCc2ccccc21 ZINC000289864551 404004653 /nfs/dbraw/zinc/00/46/53/404004653.db2.gz YQFVZTBBXIVGEL-OAHLLOKOSA-N 0 0 312.373 2.246 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC000296006134 404049224 /nfs/dbraw/zinc/04/92/24/404049224.db2.gz OBYUBHKYWGBZIF-MGPQQGTHSA-N 0 0 306.410 2.319 10 30 DEEERN C=CCNC(=O)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000354854837 404058579 /nfs/dbraw/zinc/05/85/79/404058579.db2.gz IZDHPRMOSMOJLR-CYBMUJFWSA-N 0 0 314.345 2.006 10 30 DEEERN CC[C@H](SC)C(=O)N1CC[C@H](n2ccc(NC(C)=O)n2)C1 ZINC000328612077 404113599 /nfs/dbraw/zinc/11/35/99/404113599.db2.gz NWFYRIIESXPBFF-RYUDHWBXSA-N 0 0 310.423 2.406 10 30 DEEERN Cc1nnc([C@@H]2CCCCN2CC(=O)N[C@@](C)(C#N)C2CC2)[nH]1 ZINC000328672795 404128362 /nfs/dbraw/zinc/12/83/62/404128362.db2.gz IMHWNPARMZTZOG-BBRMVZONSA-N 0 0 316.409 2.289 10 30 DEEERN CC1(C)SC[C@@H]1NC(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000328726789 404139398 /nfs/dbraw/zinc/13/93/98/404139398.db2.gz ZUHZVWHNUARVQU-ZJUUUORDSA-N 0 0 303.449 2.052 10 30 DEEERN C=CCCCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000344452385 404148364 /nfs/dbraw/zinc/14/83/64/404148364.db2.gz XDGUSFGTRUFPEQ-NVXWUHKLSA-N 0 0 316.401 2.297 10 30 DEEERN C[C@H](NC(=O)N[C@@H]1CCCNC1=O)[C@@H]1COc2ccccc21 ZINC000328812676 404155691 /nfs/dbraw/zinc/15/56/91/404155691.db2.gz FQAXKFAVGZXALV-WCFLWFBJSA-N 0 0 303.362 2.174 10 30 DEEERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000329047756 404212483 /nfs/dbraw/zinc/21/24/83/404212483.db2.gz QIHOLCKSOUTLAJ-KBXIAJHMSA-N 0 0 303.406 2.414 10 30 DEEERN N#C[C@H]1CN(C(=O)Nc2cc(F)ccc2F)CCN1C1CC1 ZINC000363406196 404159140 /nfs/dbraw/zinc/15/91/40/404159140.db2.gz LIBJDVODIPTFIO-LBPRGKRZSA-N 0 0 306.316 2.169 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)[C@@H]1CCSC1)CCC2 ZINC000328875114 404164723 /nfs/dbraw/zinc/16/47/23/404164723.db2.gz RWQQPRSTGJUFET-QWHCGFSZSA-N 0 0 308.451 2.420 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCOCC1 ZINC000328915725 404172536 /nfs/dbraw/zinc/17/25/36/404172536.db2.gz ABJOMOBVRJOYPM-KCQAQPDRSA-N 0 0 307.394 2.271 10 30 DEEERN C=CCCCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000344490506 404175500 /nfs/dbraw/zinc/17/55/00/404175500.db2.gz ZQBRCPSSSGMDFK-UHFFFAOYSA-N 0 0 301.795 2.196 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCCC[C@H](C)C1 ZINC000290462455 404178647 /nfs/dbraw/zinc/17/86/47/404178647.db2.gz SSKLCGSVOVDFEC-KBPBESRZSA-N 0 0 306.410 2.178 10 30 DEEERN COc1cc(OC)cc(N2CC[C@@H](Nc3ccncc3C#N)C2)c1 ZINC000363948922 404264736 /nfs/dbraw/zinc/26/47/36/404264736.db2.gz MWDIHBGCSPAQCW-CQSZACIVSA-N 0 0 324.384 2.083 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H](C)c1ccncc1OC ZINC000352325051 404289628 /nfs/dbraw/zinc/28/96/28/404289628.db2.gz MDRBOQHDPIAJNB-STQMWFEESA-N 0 0 319.405 2.128 10 30 DEEERN C[C@H](NC(=O)N1CCO[C@@H](C2CC2)C1)c1c(F)cncc1F ZINC000329400581 404326352 /nfs/dbraw/zinc/32/63/52/404326352.db2.gz YSKVRRKUPPAPIX-TVQRCGJNSA-N 0 0 311.332 2.446 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@H]2CCc3n[nH]cc3C2)C[C@H]1c1ccccc1 ZINC000329448403 404340666 /nfs/dbraw/zinc/34/06/66/404340666.db2.gz LDCNHFGYHNRRJJ-UAGQMJEPSA-N 0 0 320.396 2.280 10 30 DEEERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCCOC1 ZINC000329483679 404351847 /nfs/dbraw/zinc/35/18/47/404351847.db2.gz WPDKVXLVHLHHSF-SDDRHHMPSA-N 0 0 300.424 2.070 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@H]2CCn3cncc3C2)C[C@H]1c1ccccc1 ZINC000329486918 404351909 /nfs/dbraw/zinc/35/19/09/404351909.db2.gz RGVAPOORHMZTFV-JZXOWHBKSA-N 0 0 320.396 2.211 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)c1ccc(CN2CCOCC2)cn1 ZINC000355666209 404357487 /nfs/dbraw/zinc/35/74/87/404357487.db2.gz HIRGFCPWSYKKAE-OAHLLOKOSA-N 0 0 317.433 2.388 10 30 DEEERN C=CCCC[C@H](C)NC(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC000364073159 404308364 /nfs/dbraw/zinc/30/83/64/404308364.db2.gz OVGVCVDEVALHIG-KBPBESRZSA-N 0 0 310.438 2.121 10 30 DEEERN C=CCSCCNC(=O)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000355303934 404321217 /nfs/dbraw/zinc/32/12/17/404321217.db2.gz XCSPZBVKGFSBNF-KRWDZBQOSA-N 0 0 322.474 2.371 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cc(-c3ccccc3)on2)CCN1C1CC1 ZINC000370970715 404431891 /nfs/dbraw/zinc/43/18/91/404431891.db2.gz ZDPAIEXXWVVFJL-HNNXBMFYSA-N 0 0 322.368 2.154 10 30 DEEERN C=C(CNS(=O)(=O)c1c(Cl)cnn1C)c1ccccc1 ZINC000344893037 404428141 /nfs/dbraw/zinc/42/81/41/404428141.db2.gz WKLDOYPIHFDSDB-UHFFFAOYSA-N 0 0 311.794 2.065 10 30 DEEERN Cn1cc(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(C2CC2)n1 ZINC000329603018 404388771 /nfs/dbraw/zinc/38/87/71/404388771.db2.gz GDGIDKNEYHFZKG-GLQYFDAESA-N 0 0 316.405 2.390 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CCC(c3ncc[nH]3)CC2)cc1 ZINC000296988146 404402262 /nfs/dbraw/zinc/40/22/62/404402262.db2.gz UEHVQIWXZJODSM-UHFFFAOYSA-N 0 0 308.385 2.480 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000342174903 404421166 /nfs/dbraw/zinc/42/11/66/404421166.db2.gz FARWCGLYOZRSEB-DVOMOZLQSA-N 0 0 316.401 2.196 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N(C)Cc3ccoc3)cc2C1=O ZINC000342308165 404498684 /nfs/dbraw/zinc/49/86/84/404498684.db2.gz PZICKVZLNXAUHD-UHFFFAOYSA-N 0 0 324.336 2.334 10 30 DEEERN Cc1cccc2c1OCC[C@H]2NC(=O)N1CC[C@@H](CCO)C1 ZINC000329948753 404504505 /nfs/dbraw/zinc/50/45/05/404504505.db2.gz ZIJIOAXWPRJERJ-DZGCQCFKSA-N 0 0 304.390 2.437 10 30 DEEERN CO[C@H](C(=O)N1CCC[C@H](c2n[nH]cc2NC(C)=O)C1)C1CC1 ZINC000329956381 404507360 /nfs/dbraw/zinc/50/73/60/404507360.db2.gz PLIPFRJOKJDCRP-WFASDCNBSA-N 0 0 320.393 2.149 10 30 DEEERN C=CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000351113871 404517404 /nfs/dbraw/zinc/51/74/04/404517404.db2.gz IUQINKHBUMBFGM-OLZOCXBDSA-N 0 0 319.453 2.143 10 30 DEEERN O=C(C[C@H]1CCOC1)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000329730713 404433946 /nfs/dbraw/zinc/43/39/46/404433946.db2.gz DGPAWLCGWMTWPL-GHMZBOCLSA-N 0 0 309.391 2.149 10 30 DEEERN C[C@H](CN1CCCC1=O)NC(=O)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000329736319 404435562 /nfs/dbraw/zinc/43/55/62/404435562.db2.gz SMHHSYPPJWFYCZ-DOMZBBRYSA-N 0 0 305.422 2.176 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1ccc2cc(OC)ccc2n1 ZINC000342206518 404441780 /nfs/dbraw/zinc/44/17/80/404441780.db2.gz JRICLANVYRKTIG-GFCCVEGCSA-N 0 0 300.358 2.158 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)COc1ccc(/C=C\C)cc1OC ZINC000342211388 404444956 /nfs/dbraw/zinc/44/49/56/404444956.db2.gz ONPOOHUEQLIZIZ-ZDTYVGOBSA-N 0 0 319.401 2.408 10 30 DEEERN C=CCn1c(C(=O)NC(CC)CC)nnc1N(CC)C1CC1 ZINC000350742005 404458076 /nfs/dbraw/zinc/45/80/76/404458076.db2.gz SPFFGGJEHVQPQS-UHFFFAOYSA-N 0 0 305.426 2.371 10 30 DEEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CNC(=O)CCC ZINC000342462661 404593222 /nfs/dbraw/zinc/59/32/22/404593222.db2.gz NOSHSURWWZSCNM-UHFFFAOYSA-N 0 0 320.437 2.285 10 30 DEEERN C[S@](=O)c1cccc(NC(=O)N2CCO[C@@H](C3CC3)C2)c1 ZINC000330123828 404557905 /nfs/dbraw/zinc/55/79/05/404557905.db2.gz HSIJMDXDOHVYAY-SZNDQCEHSA-N 0 0 308.403 2.080 10 30 DEEERN Cc1cn2cc(NC(=O)N3CCO[C@H](C4CC4)C3)ccc2n1 ZINC000330120994 404558315 /nfs/dbraw/zinc/55/83/15/404558315.db2.gz GQIGBYXIDCIJRG-AWEZNQCLSA-N 0 0 300.362 2.299 10 30 DEEERN CC[C@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)[C@@H]1CCCO1 ZINC000330124667 404558673 /nfs/dbraw/zinc/55/86/73/404558673.db2.gz IDLXEAXBHJRTIN-PAPYEOQZSA-N 0 0 307.394 2.412 10 30 DEEERN C=CCOc1cccnc1-c1nc(COC[C@H]2CCOC2)no1 ZINC000351408629 404578031 /nfs/dbraw/zinc/57/80/31/404578031.db2.gz LTPAJBIJBGTCCD-LBPRGKRZSA-N 0 0 317.345 2.250 10 30 DEEERN C#Cc1cccc(N(CC)C(=O)C2C[C@@H]3COC[C@H](C2)C3=O)c1 ZINC000365495955 404675397 /nfs/dbraw/zinc/67/53/97/404675397.db2.gz UVZPFQSDXFDWSF-MQVJKMGUSA-N 0 0 311.381 2.263 10 30 DEEERN C=CCN(C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)C1CC1 ZINC000357498140 404736197 /nfs/dbraw/zinc/73/61/97/404736197.db2.gz ZDQBOSGRNICKCK-NSHDSACASA-N 0 0 320.339 2.495 10 30 DEEERN C#Cc1ccccc1CC(=O)N[C@H](c1nc[nH]n1)c1ccccc1 ZINC000365981338 404748008 /nfs/dbraw/zinc/74/80/08/404748008.db2.gz NRIDWTYTATWVQO-SFHVURJKSA-N 0 0 316.364 2.234 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc2cc[nH]c2n1 ZINC000358090275 404753361 /nfs/dbraw/zinc/75/33/61/404753361.db2.gz ITSYMZKWJIWCOP-HIFRSBDPSA-N 0 0 314.389 2.343 10 30 DEEERN C=C(CC)CN1C(=O)N[C@]2(CCc3ccc(OC)cc32)C1=O ZINC000358555571 404766511 /nfs/dbraw/zinc/76/65/11/404766511.db2.gz NBMDOXYHOKJBCA-KRWDZBQOSA-N 0 0 300.358 2.355 10 30 DEEERN C=CCN(CCc1ccccc1)S(=O)(=O)c1cn(CC)cn1 ZINC000353301990 404796709 /nfs/dbraw/zinc/79/67/09/404796709.db2.gz CHVJEPMAVDDOHO-UHFFFAOYSA-N 0 0 319.430 2.322 10 30 DEEERN C[C@@](C#N)(CCc1ccccc1)NC(=O)c1cccc2ncnn21 ZINC000359639488 404799908 /nfs/dbraw/zinc/79/99/08/404799908.db2.gz FDGSVDYOEAVMJF-SFHVURJKSA-N 0 0 319.368 2.374 10 30 DEEERN C=C(CNC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccccc1 ZINC000360212591 404822331 /nfs/dbraw/zinc/82/23/31/404822331.db2.gz KCMPXUJHBLJDJL-UHFFFAOYSA-N 0 0 300.318 2.254 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCC1(OC)CCC(C)CC1 ZINC000360411314 404826826 /nfs/dbraw/zinc/82/68/26/404826826.db2.gz ONQIHIKNXNZJCS-UHFFFAOYSA-N 0 0 310.438 2.123 10 30 DEEERN N#Cc1ccc(CC(=O)NCC[C@H]2COc3ccccc3O2)cc1 ZINC000361155740 404950240 /nfs/dbraw/zinc/95/02/40/404950240.db2.gz PVYLJGUFLFFNGX-INIZCTEOSA-N 0 0 322.364 2.447 10 30 DEEERN N#CCN1CCN(Cc2ccsc2Br)CC1 ZINC000389050271 405036821 /nfs/dbraw/zinc/03/68/21/405036821.db2.gz GDQZTBVLZZOCBV-UHFFFAOYSA-N 0 0 300.225 2.152 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN[C@H](Cc1ccc(F)cc1)C(=O)OC ZINC000424122497 405014110 /nfs/dbraw/zinc/01/41/10/405014110.db2.gz GWVJHAQAVGRWFO-IMJJTQAJSA-N 0 0 307.365 2.091 10 30 DEEERN N#Cc1ccnc(NC(=O)[C@@H](c2ccccc2)n2cccn2)c1 ZINC000435989629 405034601 /nfs/dbraw/zinc/03/46/01/405034601.db2.gz LVSUKSIHGKHCQF-MRXNPFEDSA-N 0 0 303.325 2.378 10 30 DEEERN Cc1cc(C#N)nc(N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)n1 ZINC000367425780 405044282 /nfs/dbraw/zinc/04/42/82/405044282.db2.gz IFOYBPBZGCULGC-DOMZBBRYSA-N 0 0 307.357 2.263 10 30 DEEERN C=CCN1CC[C@@H](N(C)Cc2cncc(C(F)(F)F)c2)C1=O ZINC000361393518 405052487 /nfs/dbraw/zinc/05/24/87/405052487.db2.gz XRRAXFDHPLTNQV-CYBMUJFWSA-N 0 0 313.323 2.319 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408066577 405102277 /nfs/dbraw/zinc/10/22/77/405102277.db2.gz ZQYDTBTZXJBFTE-MCIONIFRSA-N 0 0 320.414 2.012 10 30 DEEERN C=CCC1(C(=O)N2CCN(CC(F)(F)F)CC2)CCOCC1 ZINC000424576114 405120666 /nfs/dbraw/zinc/12/06/66/405120666.db2.gz XTNXOLFEWXRSFD-UHFFFAOYSA-N 0 0 320.355 2.066 10 30 DEEERN C=C(C)C(C)(C)C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000424596650 405125652 /nfs/dbraw/zinc/12/56/52/405125652.db2.gz JEMIFUAWKSIKHT-ZDUSSCGKSA-N 0 0 306.381 2.188 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@H](NC(=O)C(C)C)C2)CCOCC1 ZINC000424634204 405133774 /nfs/dbraw/zinc/13/37/74/405133774.db2.gz FCPNCGSRAXGAEH-HNNXBMFYSA-N 0 0 322.449 2.123 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000437470010 405200464 /nfs/dbraw/zinc/20/04/64/405200464.db2.gz FRRVCJLHOSQIAI-LXZKKBNFSA-N 0 0 319.401 2.044 10 30 DEEERN CC[C@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1O ZINC000408452558 405209641 /nfs/dbraw/zinc/20/96/41/405209641.db2.gz NHJDTQOXEZKLSZ-CABZTGNLSA-N 0 0 323.190 2.164 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)OCc1ccc(F)cc1 ZINC000424928407 405214428 /nfs/dbraw/zinc/21/44/28/405214428.db2.gz ZCNWNICYKFEHIK-NOLJZWGESA-N 0 0 307.365 2.438 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccnc1OCC(F)F ZINC000424930243 405214534 /nfs/dbraw/zinc/21/45/34/405214534.db2.gz DQKYIFAPSGSCQK-JQWIXIFHSA-N 0 0 312.316 2.046 10 30 DEEERN C=CCCn1cc(C(=O)NCCCNc2ccccc2F)nn1 ZINC000424773149 405174353 /nfs/dbraw/zinc/17/43/53/405174353.db2.gz FSDQNUBHEYHFEL-UHFFFAOYSA-N 0 0 317.368 2.225 10 30 DEEERN C=CCc1ccc(OCC(=O)N2CCC[C@H](O)[C@@H]2C)c(OC)c1 ZINC000452708867 405230786 /nfs/dbraw/zinc/23/07/86/405230786.db2.gz QOEAAHYSYWFVJE-ZFWWWQNUSA-N 0 0 319.401 2.174 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)COc1cccc(F)c1 ZINC000425423164 405288541 /nfs/dbraw/zinc/28/85/41/405288541.db2.gz YVEBREYSWOPTFZ-WWGRRREGSA-N 0 0 322.380 2.483 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000425210463 405258249 /nfs/dbraw/zinc/25/82/49/405258249.db2.gz RFDHAPDHOCBKNP-OLZOCXBDSA-N 0 0 317.451 2.335 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCCC[C@H]1C ZINC000425881325 405326286 /nfs/dbraw/zinc/32/62/86/405326286.db2.gz HCDYTPNIWHVGCO-UGUYLWEFSA-N 0 0 322.449 2.026 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(C)(C)C1CCCC1 ZINC000425883688 405326668 /nfs/dbraw/zinc/32/66/68/405326668.db2.gz FVPFWDIYCOATPT-ZFWWWQNUSA-N 0 0 322.449 2.026 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C ZINC000425893019 405326870 /nfs/dbraw/zinc/32/68/70/405326870.db2.gz RQGYFSWFMZNITI-BARDWOONSA-N 0 0 322.449 2.025 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000426073490 405337805 /nfs/dbraw/zinc/33/78/05/405337805.db2.gz PYDZFNXJACVBAY-HUUCEWRRSA-N 0 0 317.437 2.139 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](COC)Cc1ccccc1 ZINC000425483637 405297864 /nfs/dbraw/zinc/29/78/64/405297864.db2.gz RSWWHVLEMZYCRB-BBWFWOEESA-N 0 0 318.417 2.134 10 30 DEEERN C=CCN(CC=C)C(=O)CN1c2ccccc2CC[C@H]1CCO ZINC000425485761 405298278 /nfs/dbraw/zinc/29/82/78/405298278.db2.gz IXTXXXDJAVOGNM-KRWDZBQOSA-N 0 0 314.429 2.391 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CCOCC1 ZINC000425544075 405300383 /nfs/dbraw/zinc/30/03/83/405300383.db2.gz DAZWXNJUCXSCLF-JKSUJKDBSA-N 0 0 306.450 2.302 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N1C[C@@H](O)CC[C@H]1C ZINC000420788316 405384393 /nfs/dbraw/zinc/38/43/93/405384393.db2.gz KVAXSENLUPPFLH-HIFRSBDPSA-N 0 0 304.390 2.306 10 30 DEEERN C=CCC[C@H](CO)NC(=O)Nc1ccc(F)c(C(=O)OC)c1C ZINC000455472377 405414490 /nfs/dbraw/zinc/41/44/90/405414490.db2.gz QBBBDTRTSIQLKO-LLVKDONJSA-N 0 0 324.352 2.369 10 30 DEEERN Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(C#N)n1C ZINC000448678106 405435507 /nfs/dbraw/zinc/43/55/07/405435507.db2.gz RSESNVIBHAGGQF-UHFFFAOYSA-N 0 0 324.384 2.294 10 30 DEEERN COc1ccc(OCCCNC(=O)c2ccc(C#N)n2C)cc1 ZINC000448788447 405448631 /nfs/dbraw/zinc/44/86/31/405448631.db2.gz SKWIEQMONHKMTA-UHFFFAOYSA-N 0 0 313.357 2.104 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000448847574 405455269 /nfs/dbraw/zinc/45/52/69/405455269.db2.gz VJSDPVFNJYDTEI-INIZCTEOSA-N 0 0 324.384 2.113 10 30 DEEERN CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)n1C ZINC000448845431 405455341 /nfs/dbraw/zinc/45/53/41/405455341.db2.gz PZEVZLCEZAKPOX-OAHLLOKOSA-N 0 0 302.422 2.281 10 30 DEEERN C=CCn1c(N2CCC[C@@](C)(OC)C2)nnc1[C@]1(C)CCCO1 ZINC000556444528 405481467 /nfs/dbraw/zinc/48/14/67/405481467.db2.gz FJQOZGQAUHSAFS-SJORKVTESA-N 0 0 320.437 2.495 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1sc(C(C)(C)OC)nc1C ZINC000456767122 405556203 /nfs/dbraw/zinc/55/62/03/405556203.db2.gz MKDLAPYFRLVSIM-LLVKDONJSA-N 0 0 312.435 2.390 10 30 DEEERN C=CCC[C@H](CO)NC(=O)COc1ccc(C(=O)CC)cc1 ZINC000456759298 405553157 /nfs/dbraw/zinc/55/31/57/405553157.db2.gz REFQQGCFYGBSCI-CQSZACIVSA-N 0 0 305.374 2.101 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1ccc2c(c1O)OC(C)(C)C2 ZINC000456765529 405555987 /nfs/dbraw/zinc/55/59/87/405555987.db2.gz KCVCHUODNGKMSR-GFCCVEGCSA-N 0 0 305.374 2.163 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@](C)(CC)C1 ZINC000580453586 405622819 /nfs/dbraw/zinc/62/28/19/405622819.db2.gz NVBXLGYALQHDBK-BBRMVZONSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC000633410820 405628060 /nfs/dbraw/zinc/62/80/60/405628060.db2.gz DCZGEYKTDKZLCY-GFCCVEGCSA-N 0 0 304.456 2.053 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000633411492 405629909 /nfs/dbraw/zinc/62/99/09/405629909.db2.gz UQZXJMCUNIDCPW-UHFFFAOYSA-N 0 0 316.467 2.197 10 30 DEEERN C=CCn1c(-c2scnc2C)nnc1N(C)C[C@@H]1CCOC1 ZINC000580073678 405579504 /nfs/dbraw/zinc/57/95/04/405579504.db2.gz OMTYSMFNFRBOJG-LBPRGKRZSA-N 0 0 319.434 2.369 10 30 DEEERN C=C(CC)CNC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000456825841 405581299 /nfs/dbraw/zinc/58/12/99/405581299.db2.gz HNUKULQPRYNVDQ-UHFFFAOYSA-N 0 0 324.446 2.006 10 30 DEEERN CCC[C@@H]1CCCC[C@@H]1CNC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000456857232 405592168 /nfs/dbraw/zinc/59/21/68/405592168.db2.gz JXNJYCCTARLRTK-BFHYXJOUSA-N 0 0 303.410 2.433 10 30 DEEERN CCOc1cccc(CN(CCO)C(=O)c2ccc(C#N)o2)c1 ZINC000456970972 405638913 /nfs/dbraw/zinc/63/89/13/405638913.db2.gz MVLCIENQROIUJK-UHFFFAOYSA-N 0 0 314.341 2.185 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N1CCN(c2ccc(OC)cn2)CC1 ZINC000457030010 405662708 /nfs/dbraw/zinc/66/27/08/405662708.db2.gz RJUUGXCARMMYKH-KRWDZBQOSA-N 0 0 303.406 2.341 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CC[C@H](C(C)C)C1 ZINC000558674680 405686835 /nfs/dbraw/zinc/68/68/35/405686835.db2.gz FUVVSPQPWDXOSJ-UONOGXRCSA-N 0 0 306.410 2.034 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000582354582 405713411 /nfs/dbraw/zinc/71/34/11/405713411.db2.gz HDFJRPADIYLCAM-BBRMVZONSA-N 0 0 301.390 2.392 10 30 DEEERN C=CCNC(=O)CNc1cc(N(CC)c2ccccc2)ncn1 ZINC000432150021 405730907 /nfs/dbraw/zinc/73/09/07/405730907.db2.gz KVOWLZAYGXZMHU-UHFFFAOYSA-N 0 0 311.389 2.349 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1csc([C@H]2CCCO2)n1 ZINC000583495156 405745612 /nfs/dbraw/zinc/74/56/12/405745612.db2.gz SEQGLJCLCGNBQV-WCFLWFBJSA-N 0 0 308.403 2.316 10 30 DEEERN C=C(CC)CNC(=O)N(C)C1CCN(c2cnccn2)CC1 ZINC000459100645 405746932 /nfs/dbraw/zinc/74/69/32/405746932.db2.gz SEHNMPIOASZVKK-UHFFFAOYSA-N 0 0 303.410 2.053 10 30 DEEERN C=CCCNC(=O)[C@@H]1C[C@@]1(C(=O)NCCC=C)c1ccccc1 ZINC000636170945 405792539 /nfs/dbraw/zinc/79/25/39/405792539.db2.gz VSCMUDHNMQEPJJ-QFBILLFUSA-N 0 0 312.413 2.329 10 30 DEEERN C=CCOc1ccc(CC(=O)NCC2(CCO)CCC2)cc1 ZINC000450174076 405767843 /nfs/dbraw/zinc/76/78/43/405767843.db2.gz RPMAVFIXJDXMHX-UHFFFAOYSA-N 0 0 303.402 2.463 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N(Cc1ccccc1)CC(C)(C)O ZINC000450418171 405887884 /nfs/dbraw/zinc/88/78/84/405887884.db2.gz DXVWQDHFJJSNNW-UHFFFAOYSA-N 0 0 311.385 2.310 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)Nc1ccc2[nH]c(C(N)=O)cc2c1 ZINC000633784714 405835447 /nfs/dbraw/zinc/83/54/47/405835447.db2.gz JXLTZYLRRGJKCJ-KRWDZBQOSA-N 0 0 315.373 2.434 10 30 DEEERN CS(=O)(=O)c1cccc(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000530670387 405843745 /nfs/dbraw/zinc/84/37/45/405843745.db2.gz HQNMNTAJBPTHCD-UHFFFAOYSA-N 0 0 314.366 2.143 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000450380418 405866870 /nfs/dbraw/zinc/86/68/70/405866870.db2.gz ROULHJDUERZVTC-VVLHAWIVSA-N 0 0 301.386 2.472 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1cn(C2CCOCC2)nn1 ZINC000633966979 405935348 /nfs/dbraw/zinc/93/53/48/405935348.db2.gz XDJVBEPLIJHKRF-UHFFFAOYSA-N 0 0 306.410 2.352 10 30 DEEERN C=CCNC(=O)CNC(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000450447654 405903423 /nfs/dbraw/zinc/90/34/23/405903423.db2.gz XBDJKFMENCZHEZ-DGCLKSJQSA-N 0 0 324.783 2.391 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@@](C)(CO)Cc1ccccc1F ZINC000634279260 406080293 /nfs/dbraw/zinc/08/02/93/406080293.db2.gz LHWQSGSDZYRVTO-SUMWQHHRSA-N 0 0 309.381 2.217 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000566478739 406088480 /nfs/dbraw/zinc/08/84/80/406088480.db2.gz TZFUADQBLWSVDQ-UHFFFAOYSA-N 0 0 324.446 2.413 10 30 DEEERN C=CCOc1ccccc1-c1nc(CCCCC(N)=O)no1 ZINC000632194551 406042698 /nfs/dbraw/zinc/04/26/98/406042698.db2.gz SETNASDUKJOIPV-UHFFFAOYSA-N 0 0 301.346 2.500 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccc3c(c2)CCN3C(N)=O)c1 ZINC000532796339 406101571 /nfs/dbraw/zinc/10/15/71/406101571.db2.gz PRHRIAYSMXFZAP-UHFFFAOYSA-N 0 0 320.352 2.181 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCc1sc(C)nc1C ZINC000636688121 406054225 /nfs/dbraw/zinc/05/42/25/406054225.db2.gz LMDMKBZHUVOYJW-UHFFFAOYSA-N 0 0 323.462 2.137 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N(C)Cc1cc(C)cc(C)c1 ZINC000459817760 406057111 /nfs/dbraw/zinc/05/71/11/406057111.db2.gz MWYGDMWNIFZIPV-UHFFFAOYSA-N 0 0 300.402 2.462 10 30 DEEERN COc1ccc(CN(C)C(=O)Cc2cccc(C#N)c2)cc1O ZINC000532863515 406105133 /nfs/dbraw/zinc/10/51/33/406105133.db2.gz WTZYLNWRHRGGHK-UHFFFAOYSA-N 0 0 310.353 2.474 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000636880795 406111731 /nfs/dbraw/zinc/11/17/31/406111731.db2.gz UBTHBSSFKLJBRW-CQSZACIVSA-N 0 0 322.449 2.313 10 30 DEEERN C=C(C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000516946658 406113766 /nfs/dbraw/zinc/11/37/66/406113766.db2.gz YLAOCBBIQGHOSG-ZNMIVQPWSA-N 0 0 300.406 2.306 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1ccc2c(c1)CCO2 ZINC000567727038 406128375 /nfs/dbraw/zinc/12/83/75/406128375.db2.gz RBYXJOBKPBEVED-HOTGVXAUSA-N 0 0 316.401 2.054 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1OC ZINC000636991397 406143975 /nfs/dbraw/zinc/14/39/75/406143975.db2.gz FVCYQYPZUXOZID-ZIAGYGMSSA-N 0 0 310.438 2.169 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)c1cscn1 ZINC000637004738 406146804 /nfs/dbraw/zinc/14/68/04/406146804.db2.gz VLWZWHYGZDDKNY-LLVKDONJSA-N 0 0 309.435 2.429 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1cc(COC)cs1 ZINC000637012369 406149690 /nfs/dbraw/zinc/14/96/90/406149690.db2.gz KXFOQFHPJDRMOG-UHFFFAOYSA-N 0 0 324.446 2.229 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1C[C@H](OC(C)(C)C)C1 ZINC000637025373 406154222 /nfs/dbraw/zinc/15/42/22/406154222.db2.gz WYMUGXANQHRLBB-JOCQHMNTSA-N 0 0 310.438 2.167 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc(OC(C)C)nc2)C1 ZINC000632591325 406193185 /nfs/dbraw/zinc/19/31/85/406193185.db2.gz UDRBCRWSCYXOGJ-ZDUSSCGKSA-N 0 0 310.419 2.456 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1C[C@H](C)[C@H](C)[C@H]1C ZINC000519359702 406193259 /nfs/dbraw/zinc/19/32/59/406193259.db2.gz BXQQLFABLDITIF-SDDRHHMPSA-N 0 0 315.425 2.049 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000632593653 406193501 /nfs/dbraw/zinc/19/35/01/406193501.db2.gz BHLMIFRVFNVXGL-ZFWWWQNUSA-N 0 0 322.449 2.121 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc(-n2cccn2)cc1 ZINC000519387656 406194253 /nfs/dbraw/zinc/19/42/53/406194253.db2.gz PDSIDWFAFDQQMG-RDJZCZTQSA-N 0 0 311.385 2.122 10 30 DEEERN C=C(C)CS(=O)(=O)N[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000632611837 406199540 /nfs/dbraw/zinc/19/95/40/406199540.db2.gz UJAUIWFZVKYPED-ZDUSSCGKSA-N 0 0 321.801 2.398 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1C[C@H](C)OC2(CCC2)C1 ZINC000632650534 406215225 /nfs/dbraw/zinc/21/52/25/406215225.db2.gz NEMHRTKOXGEZDN-AWEZNQCLSA-N 0 0 322.449 2.265 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)N1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000637265124 406234528 /nfs/dbraw/zinc/23/45/28/406234528.db2.gz QNCXUBJLTBMXOH-CIRFHOKZSA-N 0 0 324.465 2.144 10 30 DEEERN C=CC(C)(C)CCNC(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000637322245 406257632 /nfs/dbraw/zinc/25/76/32/406257632.db2.gz UMENVILPQBQRGM-CYBMUJFWSA-N 0 0 316.467 2.197 10 30 DEEERN N#Cc1cccc(CC(=O)N2CCN3CCOc4cccc2c43)c1 ZINC000536589889 406268861 /nfs/dbraw/zinc/26/88/61/406268861.db2.gz YXYSHQVMKNHOFT-UHFFFAOYSA-N 0 0 319.364 2.346 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)N[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000637354082 406271486 /nfs/dbraw/zinc/27/14/86/406271486.db2.gz LOLXFSFYLJMFSY-ARFHVFGLSA-N 0 0 300.402 2.252 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000537156918 406283402 /nfs/dbraw/zinc/28/34/02/406283402.db2.gz FLMXVJBVZKQKQQ-ZIAGYGMSSA-N 0 0 302.374 2.288 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1cn2cc(C)sc2n1 ZINC000632841110 406285765 /nfs/dbraw/zinc/28/57/65/406285765.db2.gz SODYQXMSKRSJHB-IUODEOHRSA-N 0 0 319.430 2.344 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C)cc(N)c2)C1 ZINC000633009466 406352315 /nfs/dbraw/zinc/35/23/15/406352315.db2.gz TWGCZLKVHGICSK-CYBMUJFWSA-N 0 0 301.390 2.330 10 30 DEEERN C=CCN(Cc1cc2cccnc2o1)[C@H]1CCS(=O)(=O)C1 ZINC000570156503 406353558 /nfs/dbraw/zinc/35/35/58/406353558.db2.gz BXRJXOASUTUFNI-ZDUSSCGKSA-N 0 0 306.387 2.003 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC000633027117 406356562 /nfs/dbraw/zinc/35/65/62/406356562.db2.gz KIYJLAFHNSDEOY-DVOMOZLQSA-N 0 0 307.390 2.490 10 30 DEEERN CNc1ccc(C(=O)N2CCC(C)(C#N)CC2)cc1[N+](=O)[O-] ZINC000540958311 406297659 /nfs/dbraw/zinc/29/76/59/406297659.db2.gz SOGPWAALGARBDK-UHFFFAOYSA-N 0 0 302.334 2.402 10 30 DEEERN CC1(C#N)CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000541859033 406300942 /nfs/dbraw/zinc/30/09/42/406300942.db2.gz JAOLQXVRIOBAJQ-AWEZNQCLSA-N 0 0 315.348 2.083 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)NC1CN(c2ccncn2)C1 ZINC000637715931 406403118 /nfs/dbraw/zinc/40/31/18/406403118.db2.gz IFOONOXEGARIAA-UHFFFAOYSA-N 0 0 323.400 2.063 10 30 DEEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1cc(F)cc(OC(F)F)c1 ZINC000635052097 406411807 /nfs/dbraw/zinc/41/18/07/406411807.db2.gz NTTCHDGBTPALIQ-MRVPVSSYSA-N 0 0 316.279 2.446 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCOC[C@@H]1c1ccnn1C ZINC000637621695 406368428 /nfs/dbraw/zinc/36/84/28/406368428.db2.gz RNSMKRHBKWPSGC-OAHLLOKOSA-N 0 0 320.437 2.495 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnc2ccc(C)cc2c1O ZINC000571040267 406469994 /nfs/dbraw/zinc/46/99/94/406469994.db2.gz ZFGYFZAKNRJCKE-LRDDRELGSA-N 0 0 312.369 2.157 10 30 DEEERN Cc1ccc(CNc2ccncc2C#N)c(N2CCOCC2)c1 ZINC000547834973 406452492 /nfs/dbraw/zinc/45/24/92/406452492.db2.gz MVGOMPYALJKQMT-UHFFFAOYSA-N 0 0 308.385 2.132 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc2c(c1)nc(C)n2C ZINC000524764250 406459323 /nfs/dbraw/zinc/45/93/23/406459323.db2.gz UXWGHFWRLJEPLD-UHFFFAOYSA-N 0 0 314.389 2.245 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cccc2c1NC(=O)CO2 ZINC000635449297 406542976 /nfs/dbraw/zinc/54/29/76/406542976.db2.gz UFCVMQXGGUOAAU-UHFFFAOYSA-N 0 0 314.263 2.208 10 30 DEEERN C=CCC1(CNS(=O)(=O)C[C@@H](OC)C2CC2)CCCC1 ZINC000571876912 406577280 /nfs/dbraw/zinc/57/72/80/406577280.db2.gz BCSALAPBTURKDB-CQSZACIVSA-N 0 0 301.452 2.467 10 30 DEEERN Cn1ncc(NC(=O)Cc2cccc(C#N)c2)c1C(F)(F)F ZINC000527085082 406581029 /nfs/dbraw/zinc/58/10/29/406581029.db2.gz AMWXUBUQLCRDPY-UHFFFAOYSA-N 0 0 308.263 2.492 10 30 DEEERN Cc1nc([C@@](C)(NC(=O)c2cc(C#N)oc2C)C2CC2)no1 ZINC000572791136 406739409 /nfs/dbraw/zinc/73/94/09/406739409.db2.gz AQZGKTKVCVINKG-HNNXBMFYSA-N 0 0 300.318 2.206 10 30 DEEERN N#CC1CCN(C(=O)c2ncsc2Br)CC1 ZINC000573933326 406778534 /nfs/dbraw/zinc/77/85/34/406778534.db2.gz SIGYUIBMNRBQPP-UHFFFAOYSA-N 0 0 300.181 2.281 10 30 DEEERN CCOc1c(C#N)cc(I)cc1[N+](=O)[O-] ZINC000575670462 406817271 /nfs/dbraw/zinc/81/72/71/406817271.db2.gz IBMVQSPJYQMWHO-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN CCOC(=O)Cc1cc(C#N)c([N+](=O)[O-])cc1Br ZINC000575383386 406807683 /nfs/dbraw/zinc/80/76/83/406807683.db2.gz DPJVXVYPDGQGIN-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN CCOC(=O)Cc1cc(C#N)c([N+](=O)[O-])cc1OC(F)(F)F ZINC000575395440 406808884 /nfs/dbraw/zinc/80/88/84/406808884.db2.gz CTIGSPWJMKTYAA-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN C=CCCCCCNC(=O)[C@H]1COCCN1CC(F)(F)F ZINC000576886412 406833441 /nfs/dbraw/zinc/83/34/41/406833441.db2.gz KVEBJRPOFVKNSF-GFCCVEGCSA-N 0 0 308.344 2.112 10 30 DEEERN COC(=O)[C@@H](C)N(C(=O)Cc1cccc(C#N)c1)C1CCC1 ZINC000570497873 292486607 /nfs/dbraw/zinc/48/66/07/292486607.db2.gz RNEJNBVRECSXLM-GFCCVEGCSA-N 0 0 300.358 2.043 10 30 DEEERN C[C@@H]1CSCCN1C(=O)c1ccc(C#CCO)c(Cl)c1 ZINC000128918097 196004004 /nfs/dbraw/zinc/00/40/04/196004004.db2.gz RDJKZMIRQGNXKP-LLVKDONJSA-N 0 0 309.818 2.261 10 30 DEEERN C#CC[C@@H](CC)NS(=O)(=O)c1cc(C)c(Cl)c(N)c1 ZINC000129156582 196024681 /nfs/dbraw/zinc/02/46/81/196024681.db2.gz MPDAKYUMPCDPCI-SNVBAGLBSA-N 0 0 300.811 2.311 10 30 DEEERN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000129406604 196046051 /nfs/dbraw/zinc/04/60/51/196046051.db2.gz FTGMLXMIVUSTEE-CJNGLKHVSA-N 0 0 302.374 2.101 10 30 DEEERN CN[C@H](C#N)c1ncc(Br)cc1Br ZINC000129870635 196081654 /nfs/dbraw/zinc/08/16/54/196081654.db2.gz WDCUIVUHXJMMAZ-SSDOTTSWSA-N 0 0 304.973 2.391 10 30 DEEERN CN1CC[C@@H](NC(=O)CSCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000133507446 196330908 /nfs/dbraw/zinc/33/09/08/196330908.db2.gz FLACHQGIWCYHCR-HIFRSBDPSA-N 0 0 323.849 2.458 10 30 DEEERN C=CCS(=O)(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000134196540 196370374 /nfs/dbraw/zinc/37/03/74/196370374.db2.gz VNESRDAQWNZDPL-CYBMUJFWSA-N 0 0 311.403 2.175 10 30 DEEERN Cn1ncc(NCc2cccc(C#N)c2)c(Br)c1=O ZINC000134574445 196402837 /nfs/dbraw/zinc/40/28/37/196402837.db2.gz MXTVKLYCBZRWSF-UHFFFAOYSA-N 0 0 319.162 2.027 10 30 DEEERN C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CCS1(=O)=O ZINC000135241908 196456765 /nfs/dbraw/zinc/45/67/65/196456765.db2.gz KVHIANWVDZBYHZ-CYBMUJFWSA-N 0 0 306.431 2.107 10 30 DEEERN CC(C)N(CCC#N)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000135589190 196490939 /nfs/dbraw/zinc/49/09/39/196490939.db2.gz FCXQMIJXHDCVBK-UHFFFAOYSA-N 0 0 315.326 2.047 10 30 DEEERN COc1ccc(F)cc1CNC(=O)c1ccc(C#N)c(O)c1 ZINC000188830794 225035591 /nfs/dbraw/zinc/03/55/91/225035591.db2.gz RXSTZLRIJJYYRI-UHFFFAOYSA-N 0 0 300.289 2.342 10 30 DEEERN CO[C@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC[C@@H]1C ZINC000189353701 225051535 /nfs/dbraw/zinc/05/15/35/225051535.db2.gz WFZOTZIRZCNYRU-RDJZCZTQSA-N 0 0 315.417 2.290 10 30 DEEERN CCc1noc(C)c1NC(=O)C(=O)Nc1cccc(C)c1C#N ZINC000192953169 225147346 /nfs/dbraw/zinc/14/73/46/225147346.db2.gz RNUNAPRXXNBBRR-UHFFFAOYSA-N 0 0 312.329 2.303 10 30 DEEERN N#CCOc1ccccc1C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000194199278 225176603 /nfs/dbraw/zinc/17/66/03/225176603.db2.gz NJGCKPJOXHFZIM-ZBFHGGJFSA-N 0 0 300.358 2.373 10 30 DEEERN Cc1cc[nH]c(=O)c1C(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1 ZINC000328628969 225776247 /nfs/dbraw/zinc/77/62/47/225776247.db2.gz OHAJEYGJWZJBNV-YPMHNXCESA-N 0 0 316.361 2.054 10 30 DEEERN CO[C@H](C(=O)N1CCC[C@@H](c2n[nH]cc2NC(C)=O)C1)C1CC1 ZINC000329956375 225950433 /nfs/dbraw/zinc/95/04/33/225950433.db2.gz PLIPFRJOKJDCRP-DOMZBBRYSA-N 0 0 320.393 2.149 10 30 DEEERN N#C[C@@H]1CN(C(=O)CCc2cc(F)ccc2F)CCN1C1CC1 ZINC000370995273 227061817 /nfs/dbraw/zinc/06/18/17/227061817.db2.gz YYMMCHDIILOASE-OAHLLOKOSA-N 0 0 319.355 2.096 10 30 DEEERN C[C@H](Cc1ccccc1F)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000371708675 227076455 /nfs/dbraw/zinc/07/64/55/227076455.db2.gz HCQNTEHAZLEVIB-CZUORRHYSA-N 0 0 315.392 2.203 10 30 DEEERN N#Cc1ccc(Cl)c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 ZINC000375805830 227157749 /nfs/dbraw/zinc/15/77/49/227157749.db2.gz NRRJKQWNRYRBPV-CYBMUJFWSA-N 0 0 314.776 2.024 10 30 DEEERN Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCC[C@H]2C#N)cc1F ZINC000408310241 227230867 /nfs/dbraw/zinc/23/08/67/227230867.db2.gz QZHSWIOSQLSQGE-JOYOIKCWSA-N 0 0 300.330 2.244 10 30 DEEERN C[C@H]1N(S(=O)(=O)CC(C)(C)CC#N)CCC12CCOCC2 ZINC000408459325 227233830 /nfs/dbraw/zinc/23/38/30/227233830.db2.gz IDURUXXJELLBBX-CYBMUJFWSA-N 0 0 314.451 2.147 10 30 DEEERN C=CCNc1ncc(C(=O)NCCc2ccc(OC)nc2)s1 ZINC000530272860 421590233 /nfs/dbraw/zinc/59/02/33/421590233.db2.gz FOYXEMKRNZSDNO-UHFFFAOYSA-N 0 0 318.402 2.117 10 30 DEEERN N#Cc1cc(Br)cnc1NCC[C@@H](O)C(F)F ZINC000601222822 422422923 /nfs/dbraw/zinc/42/29/23/422422923.db2.gz RLMMMVJQPSEWLZ-MRVPVSSYSA-N 0 0 306.110 2.144 10 30 DEEERN Cc1cccc(CC2CN(C(=O)Nc3nn(C)cc3C#N)C2)c1 ZINC000610634373 422471302 /nfs/dbraw/zinc/47/13/02/422471302.db2.gz IOCIJIODADNRIA-UHFFFAOYSA-N 0 0 309.373 2.307 10 30 DEEERN CN1C(=O)COc2cc(NC(=O)c3sccc3C#N)ccc21 ZINC000533253603 269996946 /nfs/dbraw/zinc/99/69/46/269996946.db2.gz SHXPLZBZFAKTMA-UHFFFAOYSA-N 0 0 313.338 2.227 10 30 DEEERN CC(=O)Nc1cccc2c1CCN(C(=O)c1ccnc(C#N)c1)C2 ZINC000192819383 424865351 /nfs/dbraw/zinc/86/53/51/424865351.db2.gz NIJXMNMYAXJLHI-UHFFFAOYSA-N 0 0 320.352 2.110 10 30 DEEERN Cc1cc(C#N)cc(NC[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000367425367 424868136 /nfs/dbraw/zinc/86/81/36/424868136.db2.gz DENGILSLZIFWBD-QGZVFWFLSA-N 0 0 320.396 2.722 10 30 DEEERN Cc1cc(C#N)nc(NCc2ccccc2-c2cnn(C)c2)n1 ZINC000367826061 424870042 /nfs/dbraw/zinc/87/00/42/424870042.db2.gz MGUVIRBSAQDSAX-UHFFFAOYSA-N 0 0 304.357 2.669 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cc(C2CC2)n(CC)n1 ZINC000572421734 424935140 /nfs/dbraw/zinc/93/51/40/424935140.db2.gz IJLMFRWTUVFBKE-UHFFFAOYSA-N 0 0 318.421 2.582 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cc(C)n([C@@H](C)CC)n1 ZINC000577003508 424951891 /nfs/dbraw/zinc/95/18/91/424951891.db2.gz UVZIQGGOOJSHAO-ZDUSSCGKSA-N 0 0 320.437 2.964 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1 ZINC000455130514 425094352 /nfs/dbraw/zinc/09/43/52/425094352.db2.gz CAUADDQUAMWPNX-JSGCOSHPSA-N 0 0 306.410 2.611 10 30 DEEERN CN(C[C@H]1COc2ccccc2O1)C(=O)Cc1cccc(C#N)c1 ZINC000530909218 267310369 /nfs/dbraw/zinc/31/03/69/267310369.db2.gz ZOXCXYAJPFFXAF-INIZCTEOSA-N 0 0 322.364 2.399 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000164186021 267458462 /nfs/dbraw/zinc/45/84/62/267458462.db2.gz LRRXHYIGWUDJEU-QGZVFWFLSA-N 0 0 319.364 2.180 10 30 DEEERN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCOC[C@H]1C ZINC000193975985 267771215 /nfs/dbraw/zinc/77/12/15/267771215.db2.gz MEEVKNUPDAYNJZ-RHSMWYFYSA-N 0 0 316.401 2.206 10 30 DEEERN N#Cc1cccc(CC(=O)N2CCN(c3ccccc3O)CC2)c1 ZINC000531928749 268272840 /nfs/dbraw/zinc/27/28/40/268272840.db2.gz YTEPLUYBZPYRIY-UHFFFAOYSA-N 0 0 321.380 2.155 10 30 DEEERN N#Cc1nccn1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000179863975 268331467 /nfs/dbraw/zinc/33/14/67/268331467.db2.gz RRPJQDVOYDCXNF-UHFFFAOYSA-N 0 0 324.340 2.435 10 30 DEEERN CC(C)N1C(=O)N[C@@H]2CN(c3c(F)cc(C#N)cc3F)CC[C@@H]21 ZINC000284691123 275624297 /nfs/dbraw/zinc/62/42/97/275624297.db2.gz ZBEIXTHKTYVWTC-KGLIPLIRSA-N 0 0 320.343 2.217 10 30 DEEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N(CCO)C1CCC1 ZINC000329718710 277245094 /nfs/dbraw/zinc/24/50/94/277245094.db2.gz ZGNMNNOTIYKOKY-TZMCWYRMSA-N 0 0 311.426 2.281 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000288327004 277669729 /nfs/dbraw/zinc/66/97/29/277669729.db2.gz XXCVYINYGWRPQJ-OWLYRPNTSA-N 0 0 301.430 2.437 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N1CC[C@](O)(C(F)(F)F)C1 ZINC000338828802 277784524 /nfs/dbraw/zinc/78/45/24/277784524.db2.gz MUBWMXAHPGNRHG-CYBMUJFWSA-N 0 0 318.343 2.481 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)CC)C1 ZINC000098105904 277843477 /nfs/dbraw/zinc/84/34/77/277843477.db2.gz BAHYNKGVVDATRC-NSHDSACASA-N 0 0 306.328 2.212 10 30 DEEERN CCN(CCC#N)C(=O)CN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000170762614 279172434 /nfs/dbraw/zinc/17/24/34/279172434.db2.gz XPDAZFITEXFMGB-DOTOQJQBSA-N 0 0 315.417 2.211 10 30 DEEERN N#Cc1ccc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)s1 ZINC000408360009 279510850 /nfs/dbraw/zinc/51/08/50/279510850.db2.gz QWHCNLMXYMHZQI-NSHDSACASA-N 0 0 304.293 2.149 10 30 DEEERN Cc1ccc(CN(C)CCS(=O)(=O)c2cccc(C#N)c2)o1 ZINC000128165512 281877808 /nfs/dbraw/zinc/87/78/08/281877808.db2.gz PABSWAOSLXMJJY-UHFFFAOYSA-N 0 0 318.398 2.365 10 30 DEEERN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)NC1(C#N)CC1)CC2 ZINC000133802650 293401319 /nfs/dbraw/zinc/40/13/19/293401319.db2.gz IZIDFNNCXMSDJK-VIFPVBQESA-N 0 0 324.306 2.081 10 30 DEEERN COc1cc(CN(C)C(=O)NCC2(C#N)CC2)cc(OC)c1 ZINC000570505452 332765198 /nfs/dbraw/zinc/76/51/98/332765198.db2.gz IJWBMWGECNDFTO-UHFFFAOYSA-N 0 0 303.362 2.149 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCCO[C@H]1CC(C)C ZINC000583930970 331473686 /nfs/dbraw/zinc/47/36/86/331473686.db2.gz KGCZBMVPDAGWHD-VGWMRTNUSA-N 0 0 310.438 2.470 10 30 DEEERN C=CCCCCCNC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000569589259 332147211 /nfs/dbraw/zinc/14/72/11/332147211.db2.gz ZARFEYTVKUOODQ-UHFFFAOYSA-N 0 0 314.407 2.006 10 30 DEEERN COc1cc(C)c(S(=O)(=O)NC(C)(C)C#N)cc1Cl ZINC000559452627 332260414 /nfs/dbraw/zinc/26/04/14/332260414.db2.gz NKWYZXZQOYIQEG-UHFFFAOYSA-N 0 0 302.783 2.238 10 30 DEEERN C=C1CCN(S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000555948330 332266316 /nfs/dbraw/zinc/26/63/16/332266316.db2.gz HVUPIGGBYDIJBH-UHFFFAOYSA-N 0 0 306.309 2.441 10 30 DEEERN C=CCN1CC[C@@H](n2cnc3c(Cl)scc3c2=O)C1=O ZINC000564960440 332301002 /nfs/dbraw/zinc/30/10/02/332301002.db2.gz DVYUVQWKOWBAPY-SECBINFHSA-N 0 0 309.778 2.071 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000583392031 332382352 /nfs/dbraw/zinc/38/23/52/332382352.db2.gz RGRFAAQIKNDCCJ-LSDHHAIUSA-N 0 0 310.438 2.169 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000561184838 332421810 /nfs/dbraw/zinc/42/18/10/332421810.db2.gz ZOXILVHZFIJEKN-BXKDBHETSA-N 0 0 322.352 2.017 10 30 DEEERN C=CCn1c(N2C[C@@H](C)OC(C)(C)C2)nnc1[C@]1(C)CCCO1 ZINC000562568805 332605941 /nfs/dbraw/zinc/60/59/41/332605941.db2.gz CLOJCBBPVHFFRI-DYVFJYSZSA-N 0 0 320.437 2.493 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(OCC2CC2)CC1 ZINC000563028274 333074841 /nfs/dbraw/zinc/07/48/41/333074841.db2.gz LDIUKUDIINSRBZ-HOCLYGCPSA-N 0 0 308.422 2.178 10 30 DEEERN CCCCOC(=O)CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180322448 333160819 /nfs/dbraw/zinc/16/08/19/333160819.db2.gz DREZMWWZYKZYDJ-UHFFFAOYSA-N 0 0 300.358 2.315 10 30 DEEERN Cc1cc(CCNS(=O)(=O)CCCCC#N)cc(C)c1O ZINC000191070332 333277446 /nfs/dbraw/zinc/27/74/46/333277446.db2.gz JAWVWWZXEVIGMM-UHFFFAOYSA-N 0 0 310.419 2.165 10 30 DEEERN COc1ccc(C(=O)NCC(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000015029005 335618027 /nfs/dbraw/zinc/61/80/27/335618027.db2.gz IFVITVPHUTWBKX-UHFFFAOYSA-N 0 0 323.352 2.130 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000356007230 336531922 /nfs/dbraw/zinc/53/19/22/336531922.db2.gz VGRVZIIWEPHGKT-KRWDZBQOSA-N 0 0 324.371 2.331 10 30 DEEERN N#CCN1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000375781432 337019403 /nfs/dbraw/zinc/01/94/03/337019403.db2.gz XDFQXZZZBNAYQK-CQSZACIVSA-N 0 0 309.373 2.365 10 30 DEEERN C=C(C)CN(C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000180299292 337175719 /nfs/dbraw/zinc/17/57/19/337175719.db2.gz IJZAJSKFPDPNCN-GFCCVEGCSA-N 0 0 310.419 2.369 10 30 DEEERN C=CCn1cc(CNC(=O)N2CC=C(c3ccccc3C)C2)nn1 ZINC000582901445 337213114 /nfs/dbraw/zinc/21/31/14/337213114.db2.gz HVLZWPKPGLMZEU-UHFFFAOYSA-N 0 0 323.400 2.381 10 30 DEEERN COc1ccc(C[C@@H](C)NC(=O)NCC2(C#N)CC2)cc1OC ZINC000584387516 337241851 /nfs/dbraw/zinc/24/18/51/337241851.db2.gz GOFSGSYHDVGKTL-GFCCVEGCSA-N 0 0 317.389 2.238 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000580438449 337676914 /nfs/dbraw/zinc/67/69/14/337676914.db2.gz VNKXGSRAXRINTR-ZNMIVQPWSA-N 0 0 318.421 2.464 10 30 DEEERN C=CCn1c(=O)[nH]nc1SCc1nc(C2CCCC2)no1 ZINC000119737744 337863230 /nfs/dbraw/zinc/86/32/30/337863230.db2.gz VGBKBQNSXQBWDX-UHFFFAOYSA-N 0 0 307.379 2.090 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CC[S@](=O)C(CC)(CC)C1 ZINC000186735072 340515567 /nfs/dbraw/zinc/51/55/67/340515567.db2.gz QLIBKEZSJVUPIW-RBZFPXEDSA-N 0 0 301.452 2.117 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)c2coc(C3CCCC3)n2)C1=O ZINC000546693184 341179237 /nfs/dbraw/zinc/17/92/37/341179237.db2.gz VRXOFKKVHFOEKJ-CQSZACIVSA-N 0 0 317.389 2.191 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000077861966 341231979 /nfs/dbraw/zinc/23/19/79/341231979.db2.gz IUYFFVPNORRPGP-UHFFFAOYSA-N 0 0 314.345 2.100 10 30 DEEERN C=CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](C2CC2)C1 ZINC000548849808 341278002 /nfs/dbraw/zinc/27/80/02/341278002.db2.gz ISJNGMGAOCTTAV-OAHLLOKOSA-N 0 0 311.389 2.141 10 30 DEEERN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N1CCO[C@@H](C#N)C1 ZINC000246595158 341354121 /nfs/dbraw/zinc/35/41/21/341354121.db2.gz VJKSOBCIZKDJKO-BFQNTYOBSA-N 0 0 317.364 2.383 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000564638547 341505808 /nfs/dbraw/zinc/50/58/08/341505808.db2.gz KLQKPFKNUPHALC-HHARLNAUSA-N 0 0 322.449 2.445 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCc2cc(OC)ccc2C1 ZINC000565610480 341532771 /nfs/dbraw/zinc/53/27/71/341532771.db2.gz VIRRBORCSNDWFG-UHFFFAOYSA-N 0 0 316.401 2.005 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000572934355 341709991 /nfs/dbraw/zinc/70/99/91/341709991.db2.gz MQCICBVJIDBSOJ-HZPDHXFCSA-N 0 0 312.373 2.246 10 30 DEEERN Cn1cc(OCC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000573743449 341737929 /nfs/dbraw/zinc/73/79/29/341737929.db2.gz OJEHVYZQCYWAMG-IAGOWNOFSA-N 0 0 324.384 2.097 10 30 DEEERN C=CCN(C)c1nnc([C@]2(C)CCCO2)n1C[C@H]1CCCO1 ZINC000576590591 341854007 /nfs/dbraw/zinc/85/40/07/341854007.db2.gz XUPYXBGRRWIZFE-CJNGLKHVSA-N 0 0 306.410 2.105 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000577351026 341905445 /nfs/dbraw/zinc/90/54/45/341905445.db2.gz SGHUZACUZNACMZ-SRMUXQRQSA-N 0 0 314.385 2.354 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)N[C@H](c2cc(C)cc(C)c2)C1=O ZINC000577602769 341922372 /nfs/dbraw/zinc/92/23/72/341922372.db2.gz MVQIROQMNISFMB-CWRNSKLLSA-N 0 0 314.385 2.487 10 30 DEEERN C[C@H]1C[C@H](C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC(=O)N1 ZINC000408200746 500940917 /nfs/dbraw/zinc/94/09/17/500940917.db2.gz DYZYLUFQWBFYEH-GUYCJALGSA-N 0 0 323.396 2.089 10 30 DEEERN COc1cc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)ccn1 ZINC000187490585 533833111 /nfs/dbraw/zinc/83/31/11/533833111.db2.gz FEQVABWARJEOHK-UHFFFAOYSA-N 0 0 307.353 2.310 10 30 DEEERN COC(=O)c1ccc(N(C)Cc2cccc(C#N)c2)nc1OC ZINC000302355281 534183986 /nfs/dbraw/zinc/18/39/86/534183986.db2.gz YWJKTHQBALMIIH-UHFFFAOYSA-N 0 0 311.341 2.385 10 30 DEEERN C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000271951411 534236397 /nfs/dbraw/zinc/23/63/97/534236397.db2.gz JPHLPMJGLGJGCM-VJBOLBCHSA-N 0 0 316.426 2.223 10 30 DEEERN COC(=O)c1cncc(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000188726637 534310698 /nfs/dbraw/zinc/31/06/98/534310698.db2.gz UQWXRQWRMQJETR-UHFFFAOYSA-N 0 0 321.336 2.410 10 30 DEEERN C#CCOC[C@H](O)CN(Cc1ccco1)Cc1ccccc1F ZINC000036103005 518313758 /nfs/dbraw/zinc/31/37/58/518313758.db2.gz UXKPEIXTOAHIJD-MRXNPFEDSA-N 0 0 317.360 2.432 10 30 DEEERN C=CC(C)(C)CNC(=O)N[C@@H]1C[C@@H](OCC)[C@H]1n1cccn1 ZINC000455111829 534512949 /nfs/dbraw/zinc/51/29/49/534512949.db2.gz RMLDDOGCSIGNKP-MCIONIFRSA-N 0 0 306.410 2.113 10 30 DEEERN Cc1ccc2oc(N3CCN(C(=O)C4(C#N)CCC4)CC3)nc2c1 ZINC000121104281 534538233 /nfs/dbraw/zinc/53/82/33/534538233.db2.gz LDXRFRCPEANGCA-UHFFFAOYSA-N 0 0 324.384 2.479 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NCCc1cccc(OCC)c1 ZINC000454694783 534601849 /nfs/dbraw/zinc/60/18/49/534601849.db2.gz OEHDGJGDPXGJGS-CVEARBPZSA-N 0 0 304.390 2.271 10 30 DEEERN Cc1nc2ccc(NC(=O)C[C@@H](C)N3CCCCC3=O)cn2n1 ZINC000328999685 534651527 /nfs/dbraw/zinc/65/15/27/534651527.db2.gz KUKQSGUJBHJPKY-LLVKDONJSA-N 0 0 315.377 2.417 10 30 DEEERN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2cccnc2C#N)C1 ZINC000377988174 534677452 /nfs/dbraw/zinc/67/74/52/534677452.db2.gz OHLOZGRBSNXUOG-GFCCVEGCSA-N 0 0 310.361 2.019 10 30 DEEERN O=C(C[C@@H]1CCCCNC1=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000329532218 534686748 /nfs/dbraw/zinc/68/67/48/534686748.db2.gz JUEALDIGYVEJSE-AAEUAGOBSA-N 0 0 307.394 2.243 10 30 DEEERN C=CCC[C@H](CO)NC(=O)Nc1ccc(OC)c(OC)c1OC ZINC000454705825 534803654 /nfs/dbraw/zinc/80/36/54/534803654.db2.gz KMPKCMNOQWLNRY-LLVKDONJSA-N 0 0 324.377 2.161 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000190718937 526291701 /nfs/dbraw/zinc/29/17/01/526291701.db2.gz NYZLCXHIZRULQK-GFCCVEGCSA-N 0 0 306.362 2.320 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnnn1CC ZINC000339379297 526349499 /nfs/dbraw/zinc/34/94/99/526349499.db2.gz RPNLKXHLDVHCIK-UHFFFAOYSA-N 0 0 315.333 2.035 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NC1CC1 ZINC000411193563 526349751 /nfs/dbraw/zinc/34/97/51/526349751.db2.gz OEWMLJGWCFMQHO-GFCCVEGCSA-N 0 0 303.362 2.250 10 30 DEEERN C=CCN1CC[C@@H](N(C#N)c2ccc(OC)c(Cl)c2)C1=O ZINC000347777301 526456478 /nfs/dbraw/zinc/45/64/78/526456478.db2.gz MEWLXGMNSHHRPZ-CYBMUJFWSA-N 0 0 305.765 2.423 10 30 DEEERN C=CCN1CC[C@@H](N(C)CC(=O)c2cc(C)n(CC)c2C)C1=O ZINC000337203146 526468718 /nfs/dbraw/zinc/46/87/18/526468718.db2.gz GBQPRYDIZXODMP-MRXNPFEDSA-N 0 0 317.433 2.026 10 30 DEEERN C=CCN1CC[C@@H](Nc2ccc(F)cc2-c2cnn(C)c2)C1=O ZINC000373983836 526485141 /nfs/dbraw/zinc/48/51/41/526485141.db2.gz CJMFJGLBQOVBFC-MRXNPFEDSA-N 0 0 314.364 2.425 10 30 DEEERN C=CCN1CC[C@H](N2CCO[C@H](c3ccc(F)c(C)c3)C2)C1=O ZINC000337193373 526509340 /nfs/dbraw/zinc/50/93/40/526509340.db2.gz VJJRGLOPJHQAMM-IRXDYDNUSA-N 0 0 318.392 2.294 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)NC[C@@H]1CC12CCSCC2 ZINC000422597433 526512114 /nfs/dbraw/zinc/51/21/14/526512114.db2.gz KJTYGZGGDKCZEO-ZDUSSCGKSA-N 0 0 310.463 2.061 10 30 DEEERN C=CCNC(=O)N1CCN(c2nccc3sccc32)CC1 ZINC000341117499 526584613 /nfs/dbraw/zinc/58/46/13/526584613.db2.gz AHTFQMFSDPIFTN-UHFFFAOYSA-N 0 0 302.403 2.314 10 30 DEEERN C=CCNC(=O)c1ccc(N2CC[C@@]3(C2)CCCOC3)nc1 ZINC000376426128 526642501 /nfs/dbraw/zinc/64/25/01/526642501.db2.gz JDUWSPCNHLHOGU-QGZVFWFLSA-N 0 0 301.390 2.004 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N2CCOCC[C@@H]2C)cc1 ZINC000370323236 526648489 /nfs/dbraw/zinc/64/84/89/526648489.db2.gz GAMYFKKFWKZADL-ZDUSSCGKSA-N 0 0 317.389 2.245 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2cn[nH]c2)cc1 ZINC000339858651 526649387 /nfs/dbraw/zinc/64/93/87/526649387.db2.gz CZQWDSVEDYCRER-NSHDSACASA-N 0 0 313.361 2.208 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000277392015 526675012 /nfs/dbraw/zinc/67/50/12/526675012.db2.gz KJRRKDUBRKLUSO-QGZVFWFLSA-N 0 0 323.371 2.428 10 30 DEEERN C#CCC1(C(=O)N2CC(NC(=O)C3CCC3)C2)CCCCC1 ZINC000376412765 526675701 /nfs/dbraw/zinc/67/57/01/526675701.db2.gz HJHMZWLIJNFMAD-UHFFFAOYSA-N 0 0 302.418 2.087 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000341942748 526699450 /nfs/dbraw/zinc/69/94/50/526699450.db2.gz CJNJZYXXHYQPEE-OCCSQVGLSA-N 0 0 306.381 2.188 10 30 DEEERN C#CCCCCNC(=O)N[C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000185851189 526702710 /nfs/dbraw/zinc/70/27/10/526702710.db2.gz NIIOSBZRTGYLQC-CABCVRRESA-N 0 0 308.422 2.063 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC000412840588 526703758 /nfs/dbraw/zinc/70/37/58/526703758.db2.gz NSIWFQINTNUWJT-SECBINFHSA-N 0 0 314.432 2.155 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCCN(C(=O)c2ccncc2)CC1 ZINC000375153249 526707402 /nfs/dbraw/zinc/70/74/02/526707402.db2.gz OLSYEMQZRWSSHR-HNNXBMFYSA-N 0 0 315.417 2.358 10 30 DEEERN C#CCCCNC(=O)C(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000370210010 526708547 /nfs/dbraw/zinc/70/85/47/526708547.db2.gz MTMPCVRESZJIFG-UHFFFAOYSA-N 0 0 311.341 2.118 10 30 DEEERN C=C(C)Cn1c(C2CCC2)nnc1N1CCN(C2CC2)CC1 ZINC000338865899 526725961 /nfs/dbraw/zinc/72/59/61/526725961.db2.gz PUFHSWTTZLTYTF-UHFFFAOYSA-N 0 0 301.438 2.406 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)CCC1CC1 ZINC000283333260 526737035 /nfs/dbraw/zinc/73/70/35/526737035.db2.gz QXCHGUJCCOOKFT-AWEZNQCLSA-N 0 0 306.410 2.178 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc(C(=O)OCC)cs1 ZINC000344315303 526764593 /nfs/dbraw/zinc/76/45/93/526764593.db2.gz IHOGOGXUHIMIMU-ONGXEEELSA-N 0 0 310.375 2.240 10 30 DEEERN C=CCOCCNC(=O)N1CCCC[C@@H]1c1nccn1CC ZINC000369861368 526773744 /nfs/dbraw/zinc/77/37/44/526773744.db2.gz GECPDHYPVFMSBS-CQSZACIVSA-N 0 0 306.410 2.342 10 30 DEEERN C=CCOCCNC(=O)N1CCC2(CC1)OCc1ccccc12 ZINC000368078948 526774671 /nfs/dbraw/zinc/77/46/71/526774671.db2.gz LYNXWHSUJVUXNM-UHFFFAOYSA-N 0 0 316.401 2.420 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@@H](C)c2ccc(OC)c(F)c2)C1=O ZINC000348490612 526799499 /nfs/dbraw/zinc/79/94/99/526799499.db2.gz HSVYIFTZTLZCNT-GWCFXTLKSA-N 0 0 322.336 2.018 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000368250775 526838938 /nfs/dbraw/zinc/83/89/38/526838938.db2.gz RXJYMYVPRZOHEL-MGPQQGTHSA-N 0 0 309.797 2.291 10 30 DEEERN C=CCOc1ccc(C(=O)NCC[C@H](O)C(F)(F)F)cc1 ZINC000337052674 526845241 /nfs/dbraw/zinc/84/52/41/526845241.db2.gz SJZMEVKIAXJMAC-LBPRGKRZSA-N 0 0 303.280 2.295 10 30 DEEERN C=CCOc1ccc(CNC(=O)c2ccnc3[nH]cnc32)cc1 ZINC000359107507 526884931 /nfs/dbraw/zinc/88/49/31/526884931.db2.gz UWOCJMGERLSUJX-UHFFFAOYSA-N 0 0 308.341 2.453 10 30 DEEERN CC(C)(C)c1nnsc1C(=O)NC[C@](C)(O)C(F)(F)F ZINC000331207542 526898057 /nfs/dbraw/zinc/89/80/57/526898057.db2.gz PLYJPPHRWCDWOB-JTQLQIEISA-N 0 0 311.329 2.454 10 30 DEEERN C=CCOc1ccccc1C(=O)NCC[C@H](O)C(F)(F)F ZINC000337041868 526925915 /nfs/dbraw/zinc/92/59/15/526925915.db2.gz MVNQOXGWWBCJLG-LBPRGKRZSA-N 0 0 303.280 2.295 10 30 DEEERN C=CCC(C)(C)CNC(=O)N1CCSC[C@H](C(=O)OC)C1 ZINC000413581615 527006017 /nfs/dbraw/zinc/00/60/17/527006017.db2.gz QOXSJHSVOSZBTK-GFCCVEGCSA-N 0 0 314.451 2.136 10 30 DEEERN C=CC[C@@H](C(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000189903070 527016839 /nfs/dbraw/zinc/01/68/39/527016839.db2.gz YWTDOIKULLGCNP-ZWKOTPCHSA-N 0 0 314.429 2.279 10 30 DEEERN C=CCC(CC=C)C(=O)N1C[C@@H](OC)C[C@H]1CC(=O)OCC ZINC000372234473 527026050 /nfs/dbraw/zinc/02/60/50/527026050.db2.gz YLKYEUXFMJXOOY-GJZGRUSLSA-N 0 0 309.406 2.324 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)CCC1 ZINC000189579025 527042191 /nfs/dbraw/zinc/04/21/91/527042191.db2.gz ARUMWRJBKZTASY-LSDHHAIUSA-N 0 0 317.433 2.439 10 30 DEEERN C=CCC1(C(=O)Nc2ccc(C(=O)NC)cc2)CCOCC1 ZINC000424547958 527060265 /nfs/dbraw/zinc/06/02/65/527060265.db2.gz SVRAHDQHTCUXDO-UHFFFAOYSA-N 0 0 302.374 2.358 10 30 DEEERN C#CCOCCC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000179276246 527065178 /nfs/dbraw/zinc/06/51/78/527065178.db2.gz BBTDIOIQYLTTHX-UHFFFAOYSA-N 0 0 300.333 2.232 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)Nc1cc(OC)c(OC)cc1C ZINC000341779454 527068957 /nfs/dbraw/zinc/06/89/57/527068957.db2.gz UTYPPQGTDIYBPO-GFCCVEGCSA-N 0 0 308.378 2.318 10 30 DEEERN C=CCCC(=O)NC[C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000370895611 527073498 /nfs/dbraw/zinc/07/34/98/527073498.db2.gz PNUVCPWOMBNSTQ-INIZCTEOSA-N 0 0 300.402 2.160 10 30 DEEERN C=CC[C@@H](CO)CNS(=O)(=O)c1cccc(Cl)c1C ZINC000341203947 527080574 /nfs/dbraw/zinc/08/05/74/527080574.db2.gz TUKYLDWGTIIHMB-LLVKDONJSA-N 0 0 303.811 2.111 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000376351347 527093146 /nfs/dbraw/zinc/09/31/46/527093146.db2.gz KJGQZMKEFNNWBG-IRXDYDNUSA-N 0 0 318.417 2.391 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000337066040 527099218 /nfs/dbraw/zinc/09/92/18/527099218.db2.gz JXEKIVFSWDPGDS-LBPRGKRZSA-N 0 0 322.364 2.348 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000413303430 527111113 /nfs/dbraw/zinc/11/11/13/527111113.db2.gz QICQMUDXRAXQNQ-HOTGVXAUSA-N 0 0 315.417 2.094 10 30 DEEERN C=CC[C@H](C(=O)NC[C@@H]1CN(C2CC2)CCO1)c1ccccc1 ZINC000189610077 527122057 /nfs/dbraw/zinc/12/20/57/527122057.db2.gz GMCZLJAXGWZFCZ-MSOLQXFVSA-N 0 0 314.429 2.326 10 30 DEEERN C#CCOc1ccccc1NC(=O)N1CCO[C@@H](C2CC2)C1 ZINC000373602099 527132178 /nfs/dbraw/zinc/13/21/78/527132178.db2.gz RFYITLOCIICGQP-MRXNPFEDSA-N 0 0 300.358 2.341 10 30 DEEERN C#CCOc1ccccc1NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000188068097 527132770 /nfs/dbraw/zinc/13/27/70/527132770.db2.gz HILRXLLIPQKBMN-AWEZNQCLSA-N 0 0 324.384 2.454 10 30 DEEERN C#CCOc1ccccc1NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000377810718 527133821 /nfs/dbraw/zinc/13/38/21/527133821.db2.gz DKQJPLQTJPQDAY-GFCCVEGCSA-N 0 0 310.357 2.101 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)CC(C)(C)O ZINC000298123028 527161286 /nfs/dbraw/zinc/16/12/86/527161286.db2.gz YEZZANHLWFWNII-ZBFHGGJFSA-N 0 0 302.418 2.470 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000287366081 527172274 /nfs/dbraw/zinc/17/22/74/527172274.db2.gz MCRWVVACVNXDSD-YQQAZPJKSA-N 0 0 300.402 2.440 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCc1nnc(C2CC2)[nH]1 ZINC000298139866 527172975 /nfs/dbraw/zinc/17/29/75/527172975.db2.gz ZEPSGPVVSNOPCM-OAHLLOKOSA-N 0 0 323.400 2.116 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NS(=O)(=O)N1CCCC[C@H]1C ZINC000285227217 527174114 /nfs/dbraw/zinc/17/41/14/527174114.db2.gz FROLMGPHEXCJHQ-NVXWUHKLSA-N 0 0 320.458 2.330 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341929368 527174722 /nfs/dbraw/zinc/17/47/22/527174722.db2.gz ALHFDBMRACFAAA-RYUDHWBXSA-N 0 0 307.350 2.140 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCCOC1CCCCC1 ZINC000339762980 527175260 /nfs/dbraw/zinc/17/52/60/527175260.db2.gz PYZWJHULXSMTNN-UHFFFAOYSA-N 0 0 310.438 2.267 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccccc1CCOC ZINC000190842861 527179930 /nfs/dbraw/zinc/17/99/30/527179930.db2.gz ANDUNSFBMWFFAY-UHFFFAOYSA-N 0 0 304.390 2.239 10 30 DEEERN CC(=O)c1cc(C#N)ccc1NC(=O)c1nnn(C(C)C)c1C ZINC000411051981 527184586 /nfs/dbraw/zinc/18/45/86/527184586.db2.gz ABISCGRCDJQQLI-UHFFFAOYSA-N 0 0 311.345 2.494 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1sccc1Br ZINC000295869442 527195056 /nfs/dbraw/zinc/19/50/56/527195056.db2.gz CMMRNGYCIDKYHA-MRVPVSSYSA-N 0 0 304.209 2.106 10 30 DEEERN C=CCCCNC(=O)C(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000342488186 527203845 /nfs/dbraw/zinc/20/38/45/527203845.db2.gz YUEWNTMZXOPKLM-INIZCTEOSA-N 0 0 318.392 2.442 10 30 DEEERN C#C[C@@H](C)NC(=O)[C@@H]1CCCCN1C(=O)c1cc(C)cc(C)c1 ZINC000368378272 527224372 /nfs/dbraw/zinc/22/43/72/527224372.db2.gz YDBDBHKFOWPMLX-WBVHZDCISA-N 0 0 312.413 2.436 10 30 DEEERN Cn1cc(C[C@@H]2CCN(C(=O)c3sccc3C#N)C2)cn1 ZINC000371844649 527232151 /nfs/dbraw/zinc/23/21/51/527232151.db2.gz RKZOTUPYTMXEFP-NSHDSACASA-N 0 0 300.387 2.058 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000352315899 527253935 /nfs/dbraw/zinc/25/39/35/527253935.db2.gz QDKTUHAGYSCCNC-QAPCUYQASA-N 0 0 322.449 2.267 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1CCOC1 ZINC000187929660 527257305 /nfs/dbraw/zinc/25/73/05/527257305.db2.gz OZFINBXJOLHWPJ-AWEZNQCLSA-N 0 0 316.401 2.382 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)N(CCO)CCO ZINC000191499850 527259160 /nfs/dbraw/zinc/25/91/60/527259160.db2.gz CRZKILXVTOWQRF-UHFFFAOYSA-N 0 0 306.406 2.357 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N1CCSC[C@H](C(=O)OC)C1 ZINC000413445967 527263975 /nfs/dbraw/zinc/26/39/75/527263975.db2.gz XAMYSHLVMBHAEO-CHWSQXEVSA-N 0 0 314.451 2.279 10 30 DEEERN C=CCn1c(-c2ncccc2C)nnc1N(C)CCCOC ZINC000337828258 527282363 /nfs/dbraw/zinc/28/23/63/527282363.db2.gz XOTYPZMDKSAGMK-UHFFFAOYSA-N 0 0 301.394 2.307 10 30 DEEERN CC(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000369233082 527304092 /nfs/dbraw/zinc/30/40/92/527304092.db2.gz RLTHRSPDSDKUBL-MRXNPFEDSA-N 0 0 312.373 2.093 10 30 DEEERN C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@@H]2CCC[C@H]21 ZINC000351171686 527357519 /nfs/dbraw/zinc/35/75/19/527357519.db2.gz TYLQIJVAVAMWKA-MELADBBJSA-N 0 0 306.410 2.177 10 30 DEEERN C=CCn1cc(CNC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)nn1 ZINC000333325984 527367237 /nfs/dbraw/zinc/36/72/37/527367237.db2.gz AGXZKLYJRYCHIK-RMRKRWHISA-N 0 0 315.421 2.042 10 30 DEEERN C=CCCO[C@H](C)C(=O)Nc1cn(C)nc1-c1ccccn1 ZINC000378148043 527403950 /nfs/dbraw/zinc/40/39/50/527403950.db2.gz XHQTZVHHVHOUPU-GFCCVEGCSA-N 0 0 300.362 2.402 10 30 DEEERN C#Cc1ccc(CNC(=O)NCC2(SC)CCOCC2)cc1 ZINC000296679341 527435041 /nfs/dbraw/zinc/43/50/41/527435041.db2.gz BFEUPWFQHJEPFK-UHFFFAOYSA-N 0 0 318.442 2.379 10 30 DEEERN C=CCC[C@@H](NC(=O)N(C)Cc1nnnn1C)c1ccccc1 ZINC000435101457 527437857 /nfs/dbraw/zinc/43/78/57/527437857.db2.gz PJIHDFONXSVUIX-CQSZACIVSA-N 0 0 314.393 2.059 10 30 DEEERN C=CCC[C@@H](NC(=O)N1CC(NC(C)=O)C1)c1ccccc1 ZINC000190280924 527438752 /nfs/dbraw/zinc/43/87/52/527438752.db2.gz AXULNKWHRUUTEY-MRXNPFEDSA-N 0 0 301.390 2.224 10 30 DEEERN C=CCC[C@H]1NC(=O)N(c2cc(OC)cc(OC)c2C)C1=O ZINC000414359195 527497634 /nfs/dbraw/zinc/49/76/34/527497634.db2.gz NOOFREBMBBCZIY-GFCCVEGCSA-N 0 0 304.346 2.403 10 30 DEEERN CC(C)(C(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccc(F)cc1 ZINC000370971011 527507632 /nfs/dbraw/zinc/50/76/32/527507632.db2.gz AVISHKQLIJXULD-MRXNPFEDSA-N 0 0 315.392 2.302 10 30 DEEERN CC(C)C(CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(C)C ZINC000373093515 527580888 /nfs/dbraw/zinc/58/08/88/527580888.db2.gz WLSVYKAVTLRPLK-HNNXBMFYSA-N 0 0 306.454 2.296 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000297566647 527600217 /nfs/dbraw/zinc/60/02/17/527600217.db2.gz QWXMIJKYNBAPHU-UHFFFAOYSA-N 0 0 306.793 2.499 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCN(c2cnccc2C)CC1 ZINC000341950054 527617478 /nfs/dbraw/zinc/61/74/78/527617478.db2.gz ODPSQVHJZMDJIQ-GOSISDBHSA-N 0 0 317.433 2.267 10 30 DEEERN C=CCN(CC=C)C(=O)Cn1c(=O)onc1-c1ccccc1C ZINC000337731837 527618935 /nfs/dbraw/zinc/61/89/35/527618935.db2.gz OMUSKXLQWYFQQU-UHFFFAOYSA-N 0 0 313.357 2.012 10 30 DEEERN C=CCN(CC=C)C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181706141 527622431 /nfs/dbraw/zinc/62/24/31/527622431.db2.gz NDYUCNWMUZTACP-CYBMUJFWSA-N 0 0 303.410 2.100 10 30 DEEERN CCCC1(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCC1 ZINC000370426391 528047885 /nfs/dbraw/zinc/04/78/85/528047885.db2.gz XQNRJSMTLQYEHU-HNNXBMFYSA-N 0 0 304.438 2.339 10 30 DEEERN CC(C)Oc1ccc(C#N)cc1NC(=O)CCCCC(N)=O ZINC000188802424 528133304 /nfs/dbraw/zinc/13/33/04/528133304.db2.gz SKRXPFYOLIOPOY-UHFFFAOYSA-N 0 0 303.362 2.330 10 30 DEEERN CCC1(CC)CN(c2nnc(C)c(C)c2C#N)CC[S@@]1=O ZINC000302230970 529086750 /nfs/dbraw/zinc/08/67/50/529086750.db2.gz XIJZVXDBYDUPIX-OAQYLSRUSA-N 0 0 306.435 2.093 10 30 DEEERN CCC1(CC)[C@H](NC(=O)N2CCc3cncnc3C2)C[C@@H]1OC ZINC000330147555 529095727 /nfs/dbraw/zinc/09/57/27/529095727.db2.gz IRJYFSOODGIPQW-CABCVRRESA-N 0 0 318.421 2.342 10 30 DEEERN CCSc1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cn1 ZINC000370980957 529241087 /nfs/dbraw/zinc/24/10/87/529241087.db2.gz XGDLYYHPWICVRG-CQSZACIVSA-N 0 0 316.430 2.006 10 30 DEEERN COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)c1sccc1C#N ZINC000357681984 536768769 /nfs/dbraw/zinc/76/87/69/536768769.db2.gz OPEMHBUSZPGFKO-ABAIWWIYSA-N 0 0 306.387 2.471 10 30 DEEERN C=CCC[C@@H](OC(=O)Cn1nnc2ccccc2c1=O)C1CC1 ZINC000159586446 625348106 /nfs/dbraw/zinc/34/81/06/625348106.db2.gz XBNMQGQGMPDAEL-OAHLLOKOSA-N 0 0 313.357 2.080 10 30 DEEERN Cc1cccc(NC(=O)[C@H](C#N)C(=O)CCc2ccnn2C)c1 ZINC000123603858 625582637 /nfs/dbraw/zinc/58/26/37/625582637.db2.gz OZHMAFOQNCOVEV-OAHLLOKOSA-N 0 0 310.357 2.009 10 30 DEEERN C[C@H](OC1CCCCCC1)C(=O)[C@H](C#N)C(=O)N1CCCC1 ZINC000162262661 625203232 /nfs/dbraw/zinc/20/32/32/625203232.db2.gz HDZVMBUSXOARLA-ZFWWWQNUSA-N 0 0 306.406 2.446 10 30 DEEERN CC(C)(CCC#N)COC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000195069093 625771111 /nfs/dbraw/zinc/77/11/11/625771111.db2.gz RMQCYBATJJAXFK-ABAIWWIYSA-N 0 0 310.419 2.314 10 30 DEEERN CCCCCCCS(=O)(=O)N1CCC[C@H](C(=O)OC)C1 ZINC000195211687 625780719 /nfs/dbraw/zinc/78/07/19/625780719.db2.gz FVFSXWGTMBHHQE-ZDUSSCGKSA-N 0 0 305.440 2.172 10 30 DEEERN C#CC[C@@H](OC(=O)[C@H](C)NC(=O)c1ccco1)c1ccccn1 ZINC000073294478 632998250 /nfs/dbraw/zinc/99/82/50/632998250.db2.gz XYOYZDUQMUBTMD-GXTWGEPZSA-N 0 0 312.325 2.101 10 30 DEEERN C=C(COC(=O)c1cnc2c(cnn2C(C)C)c1)C(=O)OCC ZINC000734028321 633312770 /nfs/dbraw/zinc/31/27/70/633312770.db2.gz GLBUPOAAYNLARQ-UHFFFAOYSA-N 0 0 317.345 2.288 10 30 DEEERN C=C(COC(=O)c1ccc2cccnc2c1N)C(=O)OCC ZINC000734031166 633313810 /nfs/dbraw/zinc/31/38/10/633313810.db2.gz QAKYMOCFJGVFHE-UHFFFAOYSA-N 0 0 300.314 2.093 10 30 DEEERN N#C[C@H](C(=O)CCCOc1ccccc1)C(=O)N1CCCC1 ZINC000124684571 633408475 /nfs/dbraw/zinc/40/84/75/633408475.db2.gz VSWPCOKHUGLGCU-OAHLLOKOSA-N 0 0 300.358 2.177 10 30 DEEERN CCC(=O)N[C@@H](C)C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735340681 633504084 /nfs/dbraw/zinc/50/40/84/633504084.db2.gz JHPVKOLOMPTZBZ-JTQLQIEISA-N 0 0 324.764 2.200 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)C[C@H]1CCOc2ccccc21 ZINC000735546021 633518365 /nfs/dbraw/zinc/51/83/65/633518365.db2.gz ZLDWQTNTSNWEMP-QWHCGFSZSA-N 0 0 303.358 2.177 10 30 DEEERN CCCCCCCCOC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000125991014 635586927 /nfs/dbraw/zinc/58/69/27/635586927.db2.gz YRJRFGGSDOBLIL-ZHACJKMWSA-N 0 0 322.405 2.001 10 30 DEEERN C#CCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)C(C)C)cc1 ZINC000108186798 636209986 /nfs/dbraw/zinc/20/99/86/636209986.db2.gz ZSHSXHMCUMWMQF-MRXNPFEDSA-N 0 0 314.385 2.284 10 30 DEEERN C=CCN(CC(F)(F)F)S(=O)(=O)c1ccc(Cl)nc1 ZINC000060208299 636380928 /nfs/dbraw/zinc/38/09/28/636380928.db2.gz CNHDSKCJJKQIOG-UHFFFAOYSA-N 0 0 314.716 2.474 10 30 DEEERN CN(C)C(=O)Sc1ccc(Cn2cnc(C#N)c2C#N)cc1 ZINC000126489284 636797758 /nfs/dbraw/zinc/79/77/58/636797758.db2.gz VMHFQPZTKIJYGZ-UHFFFAOYSA-N 0 0 311.370 2.448 10 30 DEEERN C#CCCOC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000727042474 637596564 /nfs/dbraw/zinc/59/65/64/637596564.db2.gz FAPBFJNGBQMZES-HNNXBMFYSA-N 0 0 317.360 2.173 10 30 DEEERN C=CCCOC(=O)c1cccnc1S(=O)(=O)C(F)(F)F ZINC000740236676 637828349 /nfs/dbraw/zinc/82/83/49/637828349.db2.gz JPMZXQFSJOXIDB-UHFFFAOYSA-N 0 0 309.265 2.108 10 30 DEEERN N#Cc1cc(F)ccc1N1CCN(CCc2ccccn2)CC1 ZINC000742389528 638066587 /nfs/dbraw/zinc/06/65/87/638066587.db2.gz IWHNNVLWCCQJNP-UHFFFAOYSA-N 0 0 310.376 2.457 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)CCN1C1CC1 ZINC000743643227 638164044 /nfs/dbraw/zinc/16/40/44/638164044.db2.gz XGNRRYBIVYMXOB-IXDOHACOSA-N 0 0 316.449 2.337 10 30 DEEERN CCC(CC)(CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)SC ZINC000743698352 638167948 /nfs/dbraw/zinc/16/79/48/638167948.db2.gz XOPIBNOVEMFVRI-AWEZNQCLSA-N 0 0 324.494 2.290 10 30 DEEERN C#CCN(CC)C(=O)N[C@@H](Cc1nccn1C)c1ccccc1 ZINC000745910532 638298501 /nfs/dbraw/zinc/29/85/01/638298501.db2.gz UFWRSVKAXDHBFF-INIZCTEOSA-N 0 0 310.401 2.369 10 30 DEEERN COc1ccc(CNC(=O)N(C)C[C@@H]2CCCCO2)cc1C#N ZINC000746768364 638376548 /nfs/dbraw/zinc/37/65/48/638376548.db2.gz LNKWVBPJUFZGAD-HNNXBMFYSA-N 0 0 317.389 2.277 10 30 DEEERN COc1ccc(CNC(=O)N2CCCOC(C)(C)C2)cc1C#N ZINC000747430821 638436679 /nfs/dbraw/zinc/43/66/79/638436679.db2.gz FJYIIEFVPYZRPC-UHFFFAOYSA-N 0 0 317.389 2.277 10 30 DEEERN C#CCOc1cccc(NS(=O)(=O)N(CCC)CCC)c1 ZINC000747616770 638454478 /nfs/dbraw/zinc/45/44/78/638454478.db2.gz XFCDZHQEPQUVPI-UHFFFAOYSA-N 0 0 310.419 2.477 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1ccc(OC)c(O)c1 ZINC000748203194 638528060 /nfs/dbraw/zinc/52/80/60/638528060.db2.gz XHHVUNWXTRKMNF-GFCCVEGCSA-N 0 0 319.357 2.147 10 30 DEEERN C#CCCCS(=O)(=O)NCCc1ccc2ccccc2n1 ZINC000804971974 638647351 /nfs/dbraw/zinc/64/73/51/638647351.db2.gz UOLGZFNVHCMZML-UHFFFAOYSA-N 0 0 302.399 2.110 10 30 DEEERN C#CCCCS(=O)(=O)N(CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000804973838 638654977 /nfs/dbraw/zinc/65/49/77/638654977.db2.gz YBPDKYVFNCGJEJ-UHFFFAOYSA-N 0 0 322.386 2.326 10 30 DEEERN C#CC[C@@H](OC(=O)Cc1ccc(S(=O)(=O)CC)cc1)C1CC1 ZINC000750777385 639026874 /nfs/dbraw/zinc/02/68/74/639026874.db2.gz DMXUEIBKQYDSEP-MRXNPFEDSA-N 0 0 320.410 2.368 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)/C=C(/C)c1cccc(OC)c1 ZINC000751757857 639117886 /nfs/dbraw/zinc/11/78/86/639117886.db2.gz FZTLGEGKQBHVST-UKVQZPPCSA-N 0 0 303.358 2.332 10 30 DEEERN C#CCCCS(=O)(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000805031250 639260937 /nfs/dbraw/zinc/26/09/37/639260937.db2.gz YNWRYLBIIUCYOJ-WOSRLPQWSA-N 0 0 307.415 2.272 10 30 DEEERN C#CCCCS(=O)(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000805064446 639435774 /nfs/dbraw/zinc/43/57/74/639435774.db2.gz NKEYBLCAAOQTOJ-ZDUSSCGKSA-N 0 0 311.451 2.340 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@]1(C)CCOC1 ZINC000805110613 639753445 /nfs/dbraw/zinc/75/34/45/639753445.db2.gz BCDKTTYSFZSFKS-WMZOPIPTSA-N 0 0 300.402 2.347 10 30 DEEERN C#CCCNC(=O)N1CCC([C@H](O)c2ccccc2C)CC1 ZINC000805113553 639757278 /nfs/dbraw/zinc/75/72/78/639757278.db2.gz XPLIQNBCEFAGAK-KRWDZBQOSA-N 0 0 300.402 2.473 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCC[C@@H](C)[S@@](C)=O ZINC000805216695 640255396 /nfs/dbraw/zinc/25/53/96/640255396.db2.gz BROPRBUOJIRNOF-VKIFBMEASA-N 0 0 320.458 2.077 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCc1cc(C)ncn1 ZINC000805234595 640364802 /nfs/dbraw/zinc/36/48/02/640364802.db2.gz NHWQNILAIWIEIU-MRXNPFEDSA-N 0 0 308.385 2.219 10 30 DEEERN N#Cc1cc(C(=O)N2CCO[C@@H](C(F)F)C2)ccc1Cl ZINC000801007217 640535632 /nfs/dbraw/zinc/53/56/32/640535632.db2.gz OJDIINRMKMALKW-LLVKDONJSA-N 0 0 300.692 2.318 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC1(C)OCCO1 ZINC000805282884 640621048 /nfs/dbraw/zinc/62/10/48/640621048.db2.gz ZGJQBXKBWLLVMI-INIZCTEOSA-N 0 0 316.401 2.073 10 30 DEEERN C=CCn1nnn(CN(C)CCc2ccccc2OC)c1=S ZINC000729464080 640750454 /nfs/dbraw/zinc/75/04/54/640750454.db2.gz PHYAKMRTRRCTPG-UHFFFAOYSA-N 0 0 319.434 2.136 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCn2ccnc2C1 ZINC000805310421 640810539 /nfs/dbraw/zinc/81/05/39/640810539.db2.gz MQRMWZPGCSKFRV-SJORKVTESA-N 0 0 322.412 2.132 10 30 DEEERN CCc1noc(CCCC(=O)NCc2ccc(C#N)cc2F)n1 ZINC000729845459 640847156 /nfs/dbraw/zinc/84/71/56/640847156.db2.gz BJZDORUHXGETCA-UHFFFAOYSA-N 0 0 316.336 2.282 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCOC(F)(F)F ZINC000805332061 640900570 /nfs/dbraw/zinc/90/05/70/640900570.db2.gz XAMVQJOFLRNKPT-CYBMUJFWSA-N 0 0 314.307 2.457 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCC1(O)CCC1 ZINC000805478055 641740365 /nfs/dbraw/zinc/74/03/65/641740365.db2.gz PJQVPCCOWWDZQM-MRXNPFEDSA-N 0 0 300.402 2.225 10 30 DEEERN C=CC[C@H](NC(=O)C(=O)N1C[C@@H](C)CC[C@@H]1C)c1ccncc1 ZINC000805807560 643372269 /nfs/dbraw/zinc/37/22/69/643372269.db2.gz KBPWOOJYDPAFSB-DZKIICNBSA-N 0 0 315.417 2.462 10 30 DEEERN C=CC[C@H](NC(=O)C(=O)N1C[C@@H](C)CC[C@H]1C)c1ccncc1 ZINC000805807562 643372730 /nfs/dbraw/zinc/37/27/30/643372730.db2.gz KBPWOOJYDPAFSB-LZWOXQAQSA-N 0 0 315.417 2.462 10 30 DEEERN C=CCCOCC(=O)OCc1cccnc1Br ZINC000805934478 643893107 /nfs/dbraw/zinc/89/31/07/643893107.db2.gz WEXYKKPKKVQSTN-UHFFFAOYSA-N 0 0 300.152 2.480 10 30 DEEERN Cc1cc(F)cc2c1CN(C(=O)Nc1nn(C)cc1C#N)CC2 ZINC000800546572 645286787 /nfs/dbraw/zinc/28/67/87/645286787.db2.gz OHLZTOFGSRFTND-UHFFFAOYSA-N 0 0 313.336 2.330 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](CCO)C1CC1 ZINC000800613781 645292287 /nfs/dbraw/zinc/29/22/87/645292287.db2.gz JOHLTTWOHLTJEU-INIZCTEOSA-N 0 0 316.401 2.021 10 30 DEEERN C#C[C@@H](C)Oc1ccc(COC(=O)c2cccn(C)c2=O)cc1 ZINC000802808427 645562075 /nfs/dbraw/zinc/56/20/75/645562075.db2.gz JXYQNFBOORSXDX-CYBMUJFWSA-N 0 0 311.337 2.143 10 30 DEEERN C#CCCn1c(-c2cnccn2)csc1=Nc1cnn(CC)c1 ZINC000803186866 645614861 /nfs/dbraw/zinc/61/48/61/645614861.db2.gz PYRDUNTZTASQNB-UHFFFAOYSA-N 0 0 324.413 2.479 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H]1CCCN(c2ccccc2)C1=O ZINC000803699334 645681674 /nfs/dbraw/zinc/68/16/74/645681674.db2.gz ZOUVANSJAJWDAP-KRWDZBQOSA-N 0 0 309.365 2.388 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 ZINC000803699372 645681753 /nfs/dbraw/zinc/68/17/53/645681753.db2.gz AQSDHFKIMBNDMJ-UHFFFAOYSA-N 0 0 319.320 2.314 10 30 DEEERN C=C(C)CN(CC)C(=O)COC(=O)c1nc(C2CC2)oc1C ZINC000803919115 645716572 /nfs/dbraw/zinc/71/65/72/645716572.db2.gz BZVQNIPRUJKHDC-UHFFFAOYSA-N 0 0 306.362 2.442 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(C(N)=O)c1 ZINC000804452546 645773081 /nfs/dbraw/zinc/77/30/81/645773081.db2.gz IOTNNRDAGFKWHL-KRWDZBQOSA-N 0 0 306.365 2.150 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc2nc[nH]c2n1 ZINC000804455848 645774250 /nfs/dbraw/zinc/77/42/50/645774250.db2.gz MCIMFUZMWSSKMH-AWEZNQCLSA-N 0 0 304.353 2.322 10 30 DEEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CSC(=O)N1 ZINC000804558330 645789406 /nfs/dbraw/zinc/78/94/06/645789406.db2.gz CKEMGPGDWMYWMA-CYBMUJFWSA-N 0 0 322.434 2.194 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccnc(OC)n1 ZINC000806438474 645831090 /nfs/dbraw/zinc/83/10/90/645831090.db2.gz GHHAOEASMYFNOZ-CQSZACIVSA-N 0 0 310.357 2.241 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)Cc2ccc(F)cn2)cc1 ZINC000806535849 645842688 /nfs/dbraw/zinc/84/26/88/645842688.db2.gz YVNDEYPCXMQATB-UHFFFAOYSA-N 0 0 313.332 2.318 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000807033924 645901979 /nfs/dbraw/zinc/90/19/79/645901979.db2.gz GBMWHKMPQPLQBD-RHSMWYFYSA-N 0 0 311.381 2.316 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@]1(C)CCCOC1 ZINC000807467546 645954102 /nfs/dbraw/zinc/95/41/02/645954102.db2.gz SVTAWPRYDGKDGJ-WMZOPIPTSA-N 0 0 300.402 2.489 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)NCCC2CCCC2)c1 ZINC000056387329 646487686 /nfs/dbraw/zinc/48/76/86/646487686.db2.gz OGKVLDIMUJVKCC-UHFFFAOYSA-N 0 0 313.401 2.486 10 30 DEEERN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CCSC ZINC000171481446 646702621 /nfs/dbraw/zinc/70/26/21/646702621.db2.gz PXLXLCJZWJDBRB-LLVKDONJSA-N 0 0 306.387 2.486 10 30 DEEERN N#C[C@@H](COC(=O)C[C@H]1COC(=O)C1)Cc1ccc(F)cc1 ZINC000151960439 647060934 /nfs/dbraw/zinc/06/09/34/647060934.db2.gz RQXMIILSPHWWDS-STQMWFEESA-N 0 0 305.305 2.004 10 30 DEEERN C#CCOc1cccc(NC(=O)[C@H]2CCCN2C(=O)C(C)C)c1 ZINC000730977587 647437603 /nfs/dbraw/zinc/43/76/03/647437603.db2.gz HJODLEQNQOIPPF-MRXNPFEDSA-N 0 0 314.385 2.284 10 30 DEEERN C=CCOc1ccccc1CNC(=S)NC[C@@H]1CCCO1 ZINC000731946636 647527911 /nfs/dbraw/zinc/52/79/11/647527911.db2.gz UNMYZHXEXLFTFR-AWEZNQCLSA-N 0 0 306.431 2.395 10 30 DEEERN C/C(=C\C(=O)NC1(C#N)CC[NH+](C)CC1)c1cccc(F)c1 ZINC000732081557 647540377 /nfs/dbraw/zinc/54/03/77/647540377.db2.gz ZPWCQKALCSNWGY-JLHYYAGUSA-N 0 0 301.365 2.333 10 30 DEEERN C=CCOc1ccc(C(=O)OCCN(C)C(=O)OCC)cc1 ZINC000732514215 647612023 /nfs/dbraw/zinc/61/20/23/647612023.db2.gz UTKZYOJKXOIMAR-UHFFFAOYSA-N 0 0 307.346 2.497 10 30 DEEERN COc1cccc(NC(=S)N2CCN(C3CC3)[C@H](C#N)C2)c1 ZINC000732625053 647632841 /nfs/dbraw/zinc/63/28/41/647632841.db2.gz BICJEXDDGLPISA-CQSZACIVSA-N 0 0 316.430 2.064 10 30 DEEERN CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1(C)C ZINC000732651989 647637397 /nfs/dbraw/zinc/63/73/97/647637397.db2.gz LWBKQVJHBFFNJM-ARFHVFGLSA-N 0 0 301.434 2.424 10 30 DEEERN N#C[C@H]1CN(C(=O)c2c[nH]cc2-c2ccccc2)CCN1C1CC1 ZINC000732664980 647637429 /nfs/dbraw/zinc/63/74/29/647637429.db2.gz SBZCLQPYPVVADB-INIZCTEOSA-N 0 0 320.396 2.494 10 30 DEEERN N#C[C@H]1CN(Cn2ccc(-c3ccccc3)n2)CCN1C1CC1 ZINC000732666151 647637998 /nfs/dbraw/zinc/63/79/98/647637998.db2.gz JGFXCSGOEXALPQ-KRWDZBQOSA-N 0 0 307.401 2.180 10 30 DEEERN N#C[C@@H]1CN(C(=O)Nc2cccc3cccnc32)CCN1C1CC1 ZINC000732674494 647640127 /nfs/dbraw/zinc/64/01/27/647640127.db2.gz JQZYOJZCSWTOFU-OAHLLOKOSA-N 0 0 321.384 2.439 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@@H]2CCCc3occc32)CCN1C1CC1 ZINC000732677241 647640400 /nfs/dbraw/zinc/64/04/00/647640400.db2.gz URLPYABSQFDAAW-UKRRQHHQSA-N 0 0 314.389 2.039 10 30 DEEERN N#C[C@H]1CN(C(=O)NC2CC(c3ccccc3)C2)CCN1C1CC1 ZINC000732677100 647640640 /nfs/dbraw/zinc/64/06/40/647640640.db2.gz IIPFBSGJZLCACZ-HTWSVDAQSA-N 0 0 324.428 2.314 10 30 DEEERN CC(C)c1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(O)c1 ZINC000732679323 647641501 /nfs/dbraw/zinc/64/15/01/647641501.db2.gz YABLLZAQCGMQQC-HNNXBMFYSA-N 0 0 313.401 2.328 10 30 DEEERN CC[C@@H](Cc1ccccc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732741687 647653695 /nfs/dbraw/zinc/65/36/95/647653695.db2.gz RCMXJANEIWEELF-FUHWJXTLSA-N 0 0 311.429 2.454 10 30 DEEERN N#C[C@@H](COC(=O)CCOC[C@H]1CCCO1)Cc1ccccc1 ZINC000175375713 648346151 /nfs/dbraw/zinc/34/61/51/648346151.db2.gz WPSRKUBGHCQIQV-DLBZAZTESA-N 0 0 317.385 2.498 10 30 DEEERN COC(=O)c1coc(C(=O)Nc2ccc(F)cc2OCC#N)c1 ZINC000185176226 649467248 /nfs/dbraw/zinc/46/72/48/649467248.db2.gz ZTRIXWVWXFVOHB-UHFFFAOYSA-N 0 0 318.260 2.360 10 30 DEEERN C#CCN(CC#C)CC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC000072906347 649538065 /nfs/dbraw/zinc/53/80/65/649538065.db2.gz NGGPPDVLDIJUSR-OAHLLOKOSA-N 0 0 300.377 2.304 10 30 DEEERN C#CCCNC(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000733339520 649550269 /nfs/dbraw/zinc/55/02/69/649550269.db2.gz XQCJWPJFSWGITD-UHFFFAOYSA-N 0 0 300.280 2.450 10 30 DEEERN C#CCN1CCN(C(=O)c2sccc2SC(F)F)CC1 ZINC000107358949 651435439 /nfs/dbraw/zinc/43/54/39/651435439.db2.gz BRPHQRKBRNUHCB-UHFFFAOYSA-N 0 0 316.398 2.454 10 30 DEEERN CCc1nc(CNC(=O)Cc2ccc(OCC#N)cc2)cs1 ZINC000110781063 652439499 /nfs/dbraw/zinc/43/94/99/652439499.db2.gz SQFXKSRNHYHYJZ-UHFFFAOYSA-N 0 0 315.398 2.467 10 30 DEEERN C=CCN(CC=C)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000037555533 683882871 /nfs/dbraw/zinc/88/28/71/683882871.db2.gz BARFHTJREKRLOQ-UHFFFAOYSA-N 0 0 311.794 2.350 10 30 DEEERN C#CCN(CC#C)CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000076185449 683940411 /nfs/dbraw/zinc/94/04/11/683940411.db2.gz KYFFAIDKUGMVMQ-SFHVURJKSA-N 0 0 300.377 2.207 10 30 DEEERN C=CCOc1ccccc1C(=O)OC[C@@H]1CC(=O)N(CC)C1 ZINC000123916464 684129337 /nfs/dbraw/zinc/12/93/37/684129337.db2.gz XDZYWQIIYRQWRD-CYBMUJFWSA-N 0 0 303.358 2.277 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)O[C@H](C#N)C2CC2)C1 ZINC000125111100 684141713 /nfs/dbraw/zinc/14/17/13/684141713.db2.gz YFMFQKCSUPMIJT-WCQYABFASA-N 0 0 308.378 2.479 10 30 DEEERN C=CCCO[C@H](C)C(=O)Nc1cnc(Br)cn1 ZINC000132996619 684215757 /nfs/dbraw/zinc/21/57/57/684215757.db2.gz NCZNFFVGOXDLLP-MRVPVSSYSA-N 0 0 300.156 2.159 10 30 DEEERN C=C(Cl)CNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000134854416 684230891 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COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000246642692 685133707 /nfs/dbraw/zinc/13/37/07/685133707.db2.gz VWFJJFNBTFJEDP-RRFJBIMHSA-N 0 0 306.406 2.064 10 30 DEEERN C[C@H](C#N)CNC(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000248460434 685160679 /nfs/dbraw/zinc/16/06/79/685160679.db2.gz WOMOSVBZSDPENH-VNQPRFMTSA-N 0 0 301.390 2.444 10 30 DEEERN COc1ccccc1C(=O)ON=C1c2ccccc2N(C)C1=O ZINC000252590900 685193898 /nfs/dbraw/zinc/19/38/98/685193898.db2.gz AXBTZVFTTUAHFI-UHFFFAOYSA-N 0 0 310.309 2.233 10 30 DEEERN N#Cc1ccccc1/C=C\C(=O)N1CCN[C@H](c2cccnc2)C1 ZINC000886027818 691986648 /nfs/dbraw/zinc/98/66/48/691986648.db2.gz ZFWHOIXHQLMFKK-ZEVQVBBLSA-N 0 0 318.380 2.140 10 30 DEEERN CC(=O)N1CCO[C@@H]2CCN(c3ccc(Cl)cc3C#N)C[C@H]21 ZINC000886034138 691988900 /nfs/dbraw/zinc/98/89/00/691988900.db2.gz UMAIDTABHINZPS-HZPDHXFCSA-N 0 0 319.792 2.038 10 30 DEEERN CC(=O)N1C[C@@H](Nc2cccc(C#N)n2)CC[C@H]1C(F)(F)F ZINC000886060658 691995073 /nfs/dbraw/zinc/99/50/73/691995073.db2.gz 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C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000612320621 361792021 /nfs/dbraw/zinc/79/20/21/361792021.db2.gz UQUGESXIVHYXDJ-HUUCEWRRSA-N 0 0 322.430 2.119 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N1CCO[C@@](C)(COC)C1 ZINC000624967599 365601772 /nfs/dbraw/zinc/60/17/72/365601772.db2.gz LGKLNWIQUVPUDS-MRXNPFEDSA-N 0 0 308.426 2.219 10 30 DEEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[C@H](C)[C@H](OC)C1 ZINC000624990573 365608745 /nfs/dbraw/zinc/60/87/45/365608745.db2.gz GCPZYULJUPMCBK-GXTWGEPZSA-N 0 0 316.409 2.106 10 30 DEEERN COc1ccc(Cn2cnc3cccc(F)c3c2=O)cc1C#N ZINC000163135723 197612972 /nfs/dbraw/zinc/61/29/72/197612972.db2.gz PZGQGFXPXKYZEQ-UHFFFAOYSA-N 0 0 309.300 2.464 10 30 DEEERN CC(C)C[C@H](C)NC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000163010851 197606811 /nfs/dbraw/zinc/60/68/11/197606811.db2.gz FFGMMBRRGACWFR-AWEZNQCLSA-N 0 0 315.421 2.219 10 30 DEEERN C=CCCN(C)S(=O)(=O)C[C@H](Cc1ccc(F)cc1)OC ZINC000625143895 365659701 /nfs/dbraw/zinc/65/97/01/365659701.db2.gz LETURAJDFYHPNN-HNNXBMFYSA-N 0 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/nfs/dbraw/zinc/05/94/94/362059494.db2.gz GFEBPBMTJXXLIK-CYBMUJFWSA-N 0 0 310.191 2.189 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cccn2cc(C(F)(F)F)nc12 ZINC000613490563 362126914 /nfs/dbraw/zinc/12/69/14/362126914.db2.gz ZHKBZTZZXJTTSH-VIFPVBQESA-N 0 0 313.279 2.020 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)C1 ZINC000625351367 365742085 /nfs/dbraw/zinc/74/20/85/365742085.db2.gz WASFWIRYRPXCNJ-AWEZNQCLSA-N 0 0 322.430 2.256 10 30 DEEERN CC1(C)C(CNS(=O)(=O)c2ccc(N)cc2C#N)C1(C)C ZINC000092804623 185342324 /nfs/dbraw/zinc/34/23/24/185342324.db2.gz GRUAOJTYWMJINZ-UHFFFAOYSA-N 0 0 307.419 2.101 10 30 DEEERN CC(C)OCCN(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000168871519 197730853 /nfs/dbraw/zinc/73/08/53/197730853.db2.gz BIAUTUYJTRRIIY-UHFFFAOYSA-N 0 0 316.810 2.257 10 30 DEEERN C=CCN(CCOC)C(=O)c1ccc(Nc2ccn(C)n2)cc1 ZINC000613934584 362248347 /nfs/dbraw/zinc/24/83/47/362248347.db2.gz YAJRILVPSKKPFR-UHFFFAOYSA-N 0 0 314.389 2.438 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000625449707 365790550 /nfs/dbraw/zinc/79/05/50/365790550.db2.gz FDTCONZDRNYBCX-ZDUSSCGKSA-N 0 0 318.421 2.182 10 30 DEEERN C=CCC1(C(=O)N2CC[C@@H](N3CCC3)[C@@H](F)C2)CCOCC1 ZINC000614103630 362288247 /nfs/dbraw/zinc/28/82/47/362288247.db2.gz MAQJQBIHJPNTMR-LSDHHAIUSA-N 0 0 310.413 2.004 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cnc(CC(C)C)nc1 ZINC000614256641 362330464 /nfs/dbraw/zinc/33/04/64/362330464.db2.gz ILYDDHYGHWVJRJ-AWEZNQCLSA-N 0 0 304.394 2.085 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](OC)C1CCC1 ZINC000614720678 362445880 /nfs/dbraw/zinc/44/58/80/362445880.db2.gz CVCDWSYHPVSPJD-MRXNPFEDSA-N 0 0 307.390 2.492 10 30 DEEERN C=CC[C@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000272743997 210148756 /nfs/dbraw/zinc/14/87/56/210148756.db2.gz BMCDTBAXXCCOOT-VIFPVBQESA-N 0 0 324.764 2.146 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(COC)CCCCC1 ZINC000615055754 362521371 /nfs/dbraw/zinc/52/13/71/362521371.db2.gz LUZILOIALUWPQN-HNNXBMFYSA-N 0 0 310.438 2.170 10 30 DEEERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)CC2 ZINC000114900486 185647414 /nfs/dbraw/zinc/64/74/14/185647414.db2.gz CXSVIAAVODGSQC-AWEZNQCLSA-N 0 0 324.388 2.043 10 30 DEEERN CO[C@H](C)[C@H](C)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000615668908 362676075 /nfs/dbraw/zinc/67/60/75/362676075.db2.gz GVEYBBIXTFFZOL-WOSRLPQWSA-N 0 0 301.390 2.067 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](c2cc(C)ccn2)C1 ZINC000615915441 362732206 /nfs/dbraw/zinc/73/22/06/362732206.db2.gz YHIZVRPEWIGOJA-WBVHZDCISA-N 0 0 315.417 2.177 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H](Cc1ccncc1)C(=O)OCC ZINC000616130474 362777584 /nfs/dbraw/zinc/77/75/84/362777584.db2.gz DGKAMHOQSQUTMZ-UKRRQHHQSA-N 0 0 304.390 2.274 10 30 DEEERN N#Cc1ccc(Cl)cc1Nc1cccc(S(N)(=O)=O)c1N ZINC000126724393 185888534 /nfs/dbraw/zinc/88/85/34/185888534.db2.gz PLSDPMCFQBNCTC-UHFFFAOYSA-N 0 0 322.777 2.185 10 30 DEEERN C=C[C@H](O)C(=O)NC1(c2ccccc2Br)CCC1 ZINC000616510387 362877635 /nfs/dbraw/zinc/87/76/35/362877635.db2.gz PECJYYZIBXDSOW-LBPRGKRZSA-N 0 0 310.191 2.491 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cccc(C)c1OC ZINC000616698169 362913854 /nfs/dbraw/zinc/91/38/54/362913854.db2.gz XOVFRZKQLIQGCY-HNNXBMFYSA-N 0 0 304.390 2.091 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000126983198 185909897 /nfs/dbraw/zinc/90/98/97/185909897.db2.gz CELKWMGWCREZNX-KRWDZBQOSA-N 0 0 318.417 2.190 10 30 DEEERN C[C@H](NC(=O)[C@@H]1CCCS1)c1cccc(C#CCCO)c1 ZINC000070438000 190892379 /nfs/dbraw/zinc/89/23/79/190892379.db2.gz JUJPLZKMBSNWFK-BBRMVZONSA-N 0 0 303.427 2.493 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)NCCCN1CCCC1=O ZINC000189405377 539689805 /nfs/dbraw/zinc/68/98/05/539689805.db2.gz YUSBXSJNZOEOCI-UHFFFAOYSA-N 0 0 321.446 2.458 10 30 DEEERN O=C(NCc1ccc(Cl)s1)c1ccc(C#CCCO)cn1 ZINC000071320859 190957244 /nfs/dbraw/zinc/95/72/44/190957244.db2.gz WPSDDSOGKGPVMR-UHFFFAOYSA-N 0 0 320.801 2.460 10 30 DEEERN Cc1nn(C)c(C)c1CCN1C(=O)c2ccc(F)cc2C1C#N ZINC000071678422 191004716 /nfs/dbraw/zinc/00/47/16/191004716.db2.gz BPACCANMHPCJFL-MRXNPFEDSA-N 0 0 312.348 2.439 10 30 DEEERN C[C@H]1SCCN(C(=O)c2cccc(C#CCCO)c2)[C@@H]1C ZINC000133633734 186001477 /nfs/dbraw/zinc/00/14/77/186001477.db2.gz QVTVFKTWCDNIFF-ZIAGYGMSSA-N 0 0 303.427 2.387 10 30 DEEERN Cc1ccc(F)cc1C(=O)NCc1sccc1C#CCO ZINC000148575312 186045238 /nfs/dbraw/zinc/04/52/38/186045238.db2.gz BTLZVRATNSJALS-UHFFFAOYSA-N 0 0 303.358 2.469 10 30 DEEERN N#CCc1ccc(S(=O)(=O)Nc2ccc(N)c(F)c2)cc1 ZINC000148717932 186045376 /nfs/dbraw/zinc/04/53/76/186045376.db2.gz CCRXYLQWCZVBRM-UHFFFAOYSA-N 0 0 305.334 2.275 10 30 DEEERN C=C(C)COCCNc1nc2c(Br)cccn2n1 ZINC000164003333 186145179 /nfs/dbraw/zinc/14/51/79/186145179.db2.gz QFTOAHIVAAZWJG-UHFFFAOYSA-N 0 0 311.183 2.496 10 30 DEEERN C=C[C@@H](C)NS(=O)(=O)c1cc(N)cc(Br)c1F ZINC000159692317 186135940 /nfs/dbraw/zinc/13/59/40/186135940.db2.gz GGXFLLHGQRLUIY-ZCFIWIBFSA-N 0 0 323.187 2.023 10 30 DEEERN C=C[C@H](C)NS(=O)(=O)c1cc(N)c(F)cc1Br ZINC000159702878 186136515 /nfs/dbraw/zinc/13/65/15/186136515.db2.gz MYPFRLPJRKWPQH-LURJTMIESA-N 0 0 323.187 2.023 10 30 DEEERN COCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cccc(C#N)c1 ZINC000181903398 186217195 /nfs/dbraw/zinc/21/71/95/186217195.db2.gz WOWTWIVRMUWXRD-IUODEOHRSA-N 0 0 311.389 2.482 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CC(=O)NCC(F)(F)F ZINC000617041849 363007729 /nfs/dbraw/zinc/00/77/29/363007729.db2.gz JXJOQQGNEPDINZ-GHMZBOCLSA-N 0 0 306.328 2.306 10 30 DEEERN CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C#N)c2ccccc2Cl)C1 ZINC000172027499 198028637 /nfs/dbraw/zinc/02/86/37/198028637.db2.gz PMSJBKGUQLCPHP-DOMZBBRYSA-N 0 0 319.792 2.279 10 30 DEEERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000172142626 198046550 /nfs/dbraw/zinc/04/65/50/198046550.db2.gz SWLHSUZETQGZFR-UONOGXRCSA-N 0 0 305.765 2.032 10 30 DEEERN C=CCCC1(CNC(=O)[C@@H](C)N2C(=O)CCC2=O)CCCC1 ZINC000617416515 363127860 /nfs/dbraw/zinc/12/78/60/363127860.db2.gz UEXDIDPOEMAZTK-CYBMUJFWSA-N 0 0 306.406 2.167 10 30 DEEERN C=CCOCCNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000617522848 363167271 /nfs/dbraw/zinc/16/72/71/363167271.db2.gz URHSDAIPKPBART-UHFFFAOYSA-N 0 0 324.384 2.396 10 30 DEEERN COc1cc(OC)c(CNCc2ccc(C#N)o2)c(OC)c1 ZINC000174279950 198314759 /nfs/dbraw/zinc/31/47/59/198314759.db2.gz ISAAOKZQHSKNFD-UHFFFAOYSA-N 0 0 302.330 2.467 10 30 DEEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CSC(=O)N1 ZINC000073121218 191280005 /nfs/dbraw/zinc/28/00/05/191280005.db2.gz YBYDGCQBCYQVCR-CYBMUJFWSA-N 0 0 303.387 2.120 10 30 DEEERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000026111338 354079641 /nfs/dbraw/zinc/07/96/41/354079641.db2.gz BAFVMYIZUYCABB-VXGBXAGGSA-N 0 0 311.341 2.147 10 30 DEEERN Nc1cccc(NC(=O)N2CCC(CCCC(=O)NO)CC2)c1 ZINC000036475794 354165150 /nfs/dbraw/zinc/16/51/50/354165150.db2.gz AHBUBJIHYMRKNS-UHFFFAOYSA-N 0 0 320.393 2.188 10 30 DEEERN O=C(NCC#Cc1ccccc1)NC[C@H]1COc2ccccc2O1 ZINC000045610855 354259435 /nfs/dbraw/zinc/25/94/35/354259435.db2.gz LIOHSIXOSRYSFB-INIZCTEOSA-N 0 0 322.364 2.177 10 30 DEEERN COC(=O)c1ccc(CNC(=O)NCC#Cc2ccccc2)cc1 ZINC000045610859 354259520 /nfs/dbraw/zinc/25/95/20/354259520.db2.gz HQAMMJGCMWHKDJ-UHFFFAOYSA-N 0 0 322.364 2.324 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(Br)c(OC)c1 ZINC000626448780 366191122 /nfs/dbraw/zinc/19/11/22/366191122.db2.gz LLXZLVRDFOCWSV-SNVBAGLBSA-N 0 0 314.179 2.125 10 30 DEEERN C=CCn1nnnc1S[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000052894734 354415814 /nfs/dbraw/zinc/41/58/14/354415814.db2.gz DBLLDYFABUUYQK-VXGBXAGGSA-N 0 0 317.418 2.217 10 30 DEEERN Cc1cc(S(=O)(=O)NC[C@H](C)c2ccncc2)ccc1C#N ZINC000618178243 363406044 /nfs/dbraw/zinc/40/60/44/363406044.db2.gz RKYASPWPVCIOFV-ZDUSSCGKSA-N 0 0 315.398 2.344 10 30 DEEERN C=CCC1(NC(=O)c2cnn(CC(F)(F)F)c2)CCOCC1 ZINC000618249355 363431181 /nfs/dbraw/zinc/43/11/81/363431181.db2.gz QLRKPCPHSYCCNB-UHFFFAOYSA-N 0 0 317.311 2.301 10 30 DEEERN N#Cc1c(N)c(C#N)c(N2CCOCC2)nc1-c1ccc(F)cc1 ZINC000096336697 283076835 /nfs/dbraw/zinc/07/68/35/283076835.db2.gz LVDCOMJGMOYFFB-UHFFFAOYSA-N 0 0 323.331 2.050 10 30 DEEERN C=CCN(Cc1ccccc1)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000075660980 355100653 /nfs/dbraw/zinc/10/06/53/355100653.db2.gz PENMCLXRKOLKKY-HUUCEWRRSA-N 0 0 324.446 2.029 10 30 DEEERN C=CCNC(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 ZINC000086989528 355503833 /nfs/dbraw/zinc/50/38/33/355503833.db2.gz FOWDQCWHBMPQDW-AWEZNQCLSA-N 0 0 304.390 2.396 10 30 DEEERN N#CC1(C(=O)NCCc2csc(N3CCCC3)n2)CCCC1 ZINC000114853926 355766425 /nfs/dbraw/zinc/76/64/25/355766425.db2.gz RKFPCZPROJFVJO-UHFFFAOYSA-N 0 0 318.446 2.486 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000130535811 355843013 /nfs/dbraw/zinc/84/30/13/355843013.db2.gz KANBNZHBTSNOOQ-UHFFFAOYSA-N 0 0 312.373 2.235 10 30 DEEERN C=C[C@H](CO)n1ncnc1C(O)(c1ccccc1)c1ccccc1 ZINC000005382875 181237404 /nfs/dbraw/zinc/23/74/04/181237404.db2.gz AUCKVYPGMZTVTG-QGZVFWFLSA-N 0 0 321.380 2.282 10 30 DEEERN CN(C)c1ncc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cn1 ZINC000182180741 356112849 /nfs/dbraw/zinc/11/28/49/356112849.db2.gz UWISJVDWNNCEFK-UHFFFAOYSA-N 0 0 307.357 2.350 10 30 DEEERN N#CC1(c2ccc(C(=O)N[C@@H]3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000181535069 356084914 /nfs/dbraw/zinc/08/49/14/356084914.db2.gz CMKHFWGHKRRQQL-UKRRQHHQSA-N 0 0 311.385 2.016 10 30 DEEERN CC(C)N(CC#N)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000080214768 192012571 /nfs/dbraw/zinc/01/25/71/192012571.db2.gz QNZJPKGEHZETTM-UHFFFAOYSA-N 0 0 317.754 2.171 10 30 DEEERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(CC#N)C(C)C)cc1C ZINC000080214498 192012669 /nfs/dbraw/zinc/01/26/69/192012669.db2.gz ZXGWQVPEBGUOQX-UHFFFAOYSA-N 0 0 311.363 2.134 10 30 DEEERN CC(C)N(CC#N)S(=O)(=O)c1ccc(Br)cc1 ZINC000080214622 192013088 /nfs/dbraw/zinc/01/30/88/192013088.db2.gz REPGLWREPCGBIK-UHFFFAOYSA-N 0 0 317.208 2.372 10 30 DEEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1-c1ccccc1 ZINC000183188508 356162836 /nfs/dbraw/zinc/16/28/36/356162836.db2.gz XBCPLEHQGUCVDD-OAHLLOKOSA-N 0 0 324.380 2.345 10 30 DEEERN COc1cccc(N2CCC[C@@H](NC(=O)NC[C@H](C)C#N)C2)c1 ZINC000182669332 356138387 /nfs/dbraw/zinc/13/83/87/356138387.db2.gz YICYXLRWPJMPMI-ZIAGYGMSSA-N 0 0 316.405 2.123 10 30 DEEERN C#C[C@@H](NN)c1cc(Br)sc1Br ZINC000236177150 356289380 /nfs/dbraw/zinc/28/93/80/356289380.db2.gz BLWQKVJPFWEDSY-RXMQYKEDSA-N 0 0 310.014 2.411 10 30 DEEERN C#C[C@@H](C)NC(=O)c1sccc1I ZINC000306489842 356403561 /nfs/dbraw/zinc/40/35/61/356403561.db2.gz XVFQJZHNHZXJEM-ZCFIWIBFSA-N 0 0 305.140 2.104 10 30 DEEERN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000048763645 283173677 /nfs/dbraw/zinc/17/36/77/283173677.db2.gz VZFDYIACDKWMNV-OAHLLOKOSA-N 0 0 321.336 2.137 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000081548905 192288900 /nfs/dbraw/zinc/28/89/00/192288900.db2.gz HZRUJVUPFJVMJI-HNNXBMFYSA-N 0 0 301.390 2.461 10 30 DEEERN C=CCOCCCNC(=O)Cc1csc(-c2ccccn2)n1 ZINC000618517787 363513787 /nfs/dbraw/zinc/51/37/87/363513787.db2.gz QLMQYPJKZLHFFB-UHFFFAOYSA-N 0 0 317.414 2.457 10 30 DEEERN C=CCOCCCNC(=O)c1cnn(C)c1Cc1ccccc1 ZINC000618524574 363515975 /nfs/dbraw/zinc/51/59/75/363515975.db2.gz KHGBROVZQHDTBN-UHFFFAOYSA-N 0 0 313.401 2.333 10 30 DEEERN CCCC1CCN(S(=O)(=O)c2ccc(C#N)cc2N)CC1 ZINC000085917767 192539936 /nfs/dbraw/zinc/53/99/36/192539936.db2.gz YQESYSMPGCKXQC-UHFFFAOYSA-N 0 0 307.419 2.341 10 30 DEEERN C=CCC1(c2nc(CS(=O)(=O)CCC)no2)CCOCC1 ZINC000351314316 356652071 /nfs/dbraw/zinc/65/20/71/356652071.db2.gz FHPSPXWFWTUHDQ-UHFFFAOYSA-N 0 0 314.407 2.019 10 30 DEEERN N#C[C@H]1CCC[C@H]1Nc1ncc(I)cn1 ZINC000380203972 356668998 /nfs/dbraw/zinc/66/89/98/356668998.db2.gz VMRYMYMIEVHDOC-VXNVDRBHSA-N 0 0 314.130 2.185 10 30 DEEERN C=CCNC(=O)CNC(=O)Nc1cccc(C2CCOCC2)c1 ZINC000626884158 366351383 /nfs/dbraw/zinc/35/13/83/366351383.db2.gz USMPEQXFCJECAU-UHFFFAOYSA-N 0 0 317.389 2.004 10 30 DEEERN C=CCn1c(N2CCO[C@H](CC)C2)nnc1[C@@]1(C)CCCO1 ZINC000578294983 356791244 /nfs/dbraw/zinc/79/12/44/356791244.db2.gz ZKPAPKNGMKXXEV-CZUORRHYSA-N 0 0 306.410 2.105 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C2CC2)C1 ZINC000578487400 356824374 /nfs/dbraw/zinc/82/43/74/356824374.db2.gz BABJGRKWTFQFIS-CABCVRRESA-N 0 0 318.421 2.321 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NC1CCC(c2nc(C)no2)CC1 ZINC000578490335 356825237 /nfs/dbraw/zinc/82/52/37/356825237.db2.gz VMXYTATUEKQQQU-PQAZSJQKSA-N 0 0 320.393 2.047 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000579583878 356997898 /nfs/dbraw/zinc/99/78/98/356997898.db2.gz PRILNHNSMSNKDX-GWCFXTLKSA-N 0 0 303.387 2.459 10 30 DEEERN C=CCCCCCNC(=O)N[C@H](C)C(=O)NCc1ccco1 ZINC000584788652 357310100 /nfs/dbraw/zinc/31/01/00/357310100.db2.gz OPIWUFJSTJYLHW-CYBMUJFWSA-N 0 0 307.394 2.330 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1Cc2ccccc2C1 ZINC000581940033 357271747 /nfs/dbraw/zinc/27/17/47/357271747.db2.gz HITAWWFRQPUYBJ-IRXDYDNUSA-N 0 0 300.402 2.292 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000584848654 357321843 /nfs/dbraw/zinc/32/18/43/357321843.db2.gz CMQZGCQNCIGVDL-UHFFFAOYSA-N 0 0 317.389 2.446 10 30 DEEERN Cc1c(Cl)cnc(N[C@@H](C)C2(S(C)(=O)=O)CC2)c1C#N ZINC000588072570 357391985 /nfs/dbraw/zinc/39/19/85/357391985.db2.gz LJOWZMYLOJMUII-VIFPVBQESA-N 0 0 313.810 2.293 10 30 DEEERN N#CCCCCCC(=O)NCc1cccc(N2CCOCC2)n1 ZINC000588164351 357399558 /nfs/dbraw/zinc/39/95/58/357399558.db2.gz FXJGCOKBSKTKEI-UHFFFAOYSA-N 0 0 316.405 2.008 10 30 DEEERN C=C[C@@H](C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588884174 357431386 /nfs/dbraw/zinc/43/13/86/357431386.db2.gz IVSXORJUIMOOTA-SNVBAGLBSA-N 0 0 302.334 2.492 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc(COC)n1C ZINC000589217922 357456533 /nfs/dbraw/zinc/45/65/33/357456533.db2.gz WILMVJPBEPIDAI-UHFFFAOYSA-N 0 0 317.349 2.062 10 30 DEEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@@](F)(C#N)C1 ZINC000591620366 357745044 /nfs/dbraw/zinc/74/50/44/357745044.db2.gz IJGPIAIHWARLAR-SMDDNHRTSA-N 0 0 307.398 2.474 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H](C)CC(F)F ZINC000592067614 357823753 /nfs/dbraw/zinc/82/37/53/357823753.db2.gz MEALGVDLGREGMK-SECBINFHSA-N 0 0 302.346 2.436 10 30 DEEERN CC(=O)N[C@H](C(=O)N1Cc2cccc(C#N)c2C1)C1CCCC1 ZINC000593362198 358061447 /nfs/dbraw/zinc/06/14/47/358061447.db2.gz CCWZCIMXKGXZOB-KRWDZBQOSA-N 0 0 311.385 2.095 10 30 DEEERN C=CCCn1cc(C[S@@](=O)c2c(OC)cccc2OC)nn1 ZINC000593941218 358175628 /nfs/dbraw/zinc/17/56/28/358175628.db2.gz OJSVVIUFTOFZHU-JOCHJYFZSA-N 0 0 321.402 2.179 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cc(C(=O)OC)cs1 ZINC000594318765 358242706 /nfs/dbraw/zinc/24/27/06/358242706.db2.gz SSTSHGOIDFLVEY-UHFFFAOYSA-N 0 0 324.402 2.336 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000180845489 199217440 /nfs/dbraw/zinc/21/74/40/199217440.db2.gz SYRQGNLRNBMKTO-INIZCTEOSA-N 0 0 315.417 2.302 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](CC(=O)OC)C1CC1 ZINC000595785841 358549341 /nfs/dbraw/zinc/54/93/41/358549341.db2.gz IYZYUIOALWKQLF-SOUVJXGZSA-N 0 0 306.406 2.468 10 30 DEEERN COC[C@@H](COc1ccc(Br)cc1C#N)OC ZINC000596266177 358655587 /nfs/dbraw/zinc/65/55/87/358655587.db2.gz OHVVHLSYOYBATH-NSHDSACASA-N 0 0 300.152 2.361 10 30 DEEERN COC[C@@H](COc1cc(Br)ccc1C#N)OC ZINC000596295595 358662260 /nfs/dbraw/zinc/66/22/60/358662260.db2.gz YZDWGTNAKGBRSP-NSHDSACASA-N 0 0 300.152 2.361 10 30 DEEERN C=C(C)CN(CC)C(=O)CSC[C@H](OC)[C@@H]1CCOC1 ZINC000596397988 358678808 /nfs/dbraw/zinc/67/88/08/358678808.db2.gz TVXKDRZVOWQEIT-KGLIPLIRSA-N 0 0 301.452 2.196 10 30 DEEERN C[C@@]1(C#N)CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000596531511 358707521 /nfs/dbraw/zinc/70/75/21/358707521.db2.gz WBSOPAJOQOWNBM-NSHDSACASA-N 0 0 311.139 2.492 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](OC)[C@@H]1CCOC1 ZINC000596975224 358797668 /nfs/dbraw/zinc/79/76/68/358797668.db2.gz ZBWRSCCHWMVFJB-IAGOWNOFSA-N 0 0 314.385 2.124 10 30 DEEERN C=CCOC[C@H](NCc1ccc(C2(C#N)CC2)cc1)C(=O)OC ZINC000597117617 358828375 /nfs/dbraw/zinc/82/83/75/358828375.db2.gz PPOYEJTYHCBDPT-INIZCTEOSA-N 0 0 314.385 2.076 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(Br)ccc1F ZINC000185805125 199889156 /nfs/dbraw/zinc/88/91/56/199889156.db2.gz DBTBBOYYOXXOST-VIFPVBQESA-N 0 0 302.143 2.255 10 30 DEEERN C=CCOCCCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000598208689 359122631 /nfs/dbraw/zinc/12/26/31/359122631.db2.gz NRBBCGHLHYIPIQ-UHFFFAOYSA-N 0 0 317.345 2.258 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(F)cc2nc(C)c(C)nc21 ZINC000185938410 199907125 /nfs/dbraw/zinc/90/71/25/199907125.db2.gz YOMZYMMXMNLOFL-LBPRGKRZSA-N 0 0 303.337 2.053 10 30 DEEERN C=CCNC(=O)NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000089099918 192726045 /nfs/dbraw/zinc/72/60/45/192726045.db2.gz CFQIEFOZBXMBEP-ZDUSSCGKSA-N 0 0 319.405 2.015 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C)c(C(=O)OC)s1 ZINC000598323700 359161586 /nfs/dbraw/zinc/16/15/86/359161586.db2.gz IMCQJACCTOHZJD-NSHDSACASA-N 0 0 324.402 2.253 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCC(C2N=NC(=S)N2C)CC1 ZINC000186261229 199935600 /nfs/dbraw/zinc/93/56/00/199935600.db2.gz GFIVQMAMNBCSNT-NSHDSACASA-N 0 0 308.451 2.412 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000598801635 359330408 /nfs/dbraw/zinc/33/04/08/359330408.db2.gz MIXXOVQMPWETIC-AWEZNQCLSA-N 0 0 305.334 2.313 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000598828796 359338063 /nfs/dbraw/zinc/33/80/63/359338063.db2.gz QVLYEGZSRKGYRO-CYBMUJFWSA-N 0 0 305.334 2.313 10 30 DEEERN C=CCCOCCNC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000599017407 359384340 /nfs/dbraw/zinc/38/43/40/359384340.db2.gz YMJCGGIDELXXSB-UHFFFAOYSA-N 0 0 313.401 2.413 10 30 DEEERN C=CC[C@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000599526467 359516319 /nfs/dbraw/zinc/51/63/19/359516319.db2.gz MHPBGFUUVKKGOA-HNNXBMFYSA-N 0 0 304.415 2.230 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2C)C1 ZINC000599375283 359482465 /nfs/dbraw/zinc/48/24/65/359482465.db2.gz QJIWVPMZTHCPFV-CYBMUJFWSA-N 0 0 323.414 2.368 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000599375444 359482799 /nfs/dbraw/zinc/48/27/99/359482799.db2.gz WJEWOEKZGLIBSI-GFCCVEGCSA-N 0 0 310.375 2.490 10 30 DEEERN C=CCCSCCNC(=O)C1(c2cc(C)no2)CCOCC1 ZINC000600090706 359646773 /nfs/dbraw/zinc/64/67/73/359646773.db2.gz MTPKXFFABCPASF-UHFFFAOYSA-N 0 0 324.446 2.457 10 30 DEEERN C#CCCCCNC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187546663 200126273 /nfs/dbraw/zinc/12/62/73/200126273.db2.gz ZARZOMMDHYMJBS-GJZGRUSLSA-N 0 0 306.431 2.269 10 30 DEEERN C=C[C@@](C)(O)CC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 ZINC000600477814 359749601 /nfs/dbraw/zinc/74/96/01/359749601.db2.gz YBNXWNMCKJYJAP-QGZVFWFLSA-N 0 0 314.385 2.007 10 30 DEEERN C=CCOCCCNC(=O)C(=O)Nc1ccc2occc2c1 ZINC000627643277 366575875 /nfs/dbraw/zinc/57/58/75/366575875.db2.gz AJWXDWWKUFXLGA-UHFFFAOYSA-N 0 0 302.330 2.080 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cnc(C2CC2)nc1 ZINC000627687534 366591354 /nfs/dbraw/zinc/59/13/54/366591354.db2.gz OEXWQAHZNDJWFK-UHFFFAOYSA-N 0 0 302.378 2.011 10 30 DEEERN COC(=O)C(C)(C)CS(=O)(=O)CCCCC(C)(C)C#N ZINC000600893036 359853451 /nfs/dbraw/zinc/85/34/51/359853451.db2.gz MFXQOIUDMSIGTH-UHFFFAOYSA-N 0 0 303.424 2.320 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2F)C1 ZINC000627733634 366603598 /nfs/dbraw/zinc/60/35/98/366603598.db2.gz ZFZNWQKJZRAKCP-SECBINFHSA-N 0 0 312.291 2.467 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000627736086 366604977 /nfs/dbraw/zinc/60/49/77/366604977.db2.gz MMHAQKBHOWRSOJ-LBPRGKRZSA-N 0 0 318.373 2.067 10 30 DEEERN C=CC1CCN(C(=O)CC2(C(=O)OCC)CCOCC2)CC1 ZINC000601148771 359941676 /nfs/dbraw/zinc/94/16/76/359941676.db2.gz AELKAEMPWBPDRH-UHFFFAOYSA-N 0 0 309.406 2.161 10 30 DEEERN CC(=O)N1CCC[C@@H]1C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000601661998 360104292 /nfs/dbraw/zinc/10/42/92/360104292.db2.gz COMBWDYKXJBTMQ-MRXNPFEDSA-N 0 0 311.385 2.065 10 30 DEEERN C=CCC(C)(C)CNC(=O)CC1(C(=O)OCC)CCOCC1 ZINC000601598067 360082536 /nfs/dbraw/zinc/08/25/36/360082536.db2.gz HWSWKATURFQPPH-UHFFFAOYSA-N 0 0 311.422 2.455 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CSc1ccc(OC)cc1)C(=O)OC ZINC000601770698 360140387 /nfs/dbraw/zinc/14/03/87/360140387.db2.gz CQSCXJUGOXYRGR-CQSZACIVSA-N 0 0 323.414 2.411 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H]1Cc2ccccc2S1)C(=O)OC ZINC000601777073 360143545 /nfs/dbraw/zinc/14/35/45/360143545.db2.gz FIHPJQZEOJQISD-GXTWGEPZSA-N 0 0 305.399 2.327 10 30 DEEERN C=C(C)C[C@H](NC(=O)C[C@H](C)n1nc(C)cc1C)C(=O)OC ZINC000601776475 360143626 /nfs/dbraw/zinc/14/36/26/360143626.db2.gz APXORUVDOJSOQT-KBPBESRZSA-N 0 0 307.394 2.075 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H]1CCc2ccc(OC)cc21)C(=O)OC ZINC000601781730 360145578 /nfs/dbraw/zinc/14/55/78/360145578.db2.gz LCADCZVTKZTQBP-GOEBONIOSA-N 0 0 317.385 2.349 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(OC(C)(C)C)cn1)C(=O)OC ZINC000601782432 360146774 /nfs/dbraw/zinc/14/67/74/360146774.db2.gz PDTYPHCWECKVKR-AWEZNQCLSA-N 0 0 320.389 2.497 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cc1cc(F)c(C)cc1F)C(=O)OC ZINC000601784707 360147902 /nfs/dbraw/zinc/14/79/02/360147902.db2.gz LGQQTZIWKKOHPY-CQSZACIVSA-N 0 0 311.328 2.440 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1CCCc2cccnc21)C(=O)OC ZINC000601783941 360148078 /nfs/dbraw/zinc/14/80/78/360148078.db2.gz YOUZXAVOVVBAAI-ZIAGYGMSSA-N 0 0 302.374 2.126 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1C[C@]1(F)c1ccccc1)C(=O)OC ZINC000601785799 360148438 /nfs/dbraw/zinc/14/84/38/360148438.db2.gz VBIBFQNQGYZYQW-ZQIUZPCESA-N 0 0 305.349 2.495 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H]1COc2cc(C)c(C)cc21)C(=O)OC ZINC000601785548 360148730 /nfs/dbraw/zinc/14/87/30/360148730.db2.gz BYWPZAAKDAJVBC-LSDHHAIUSA-N 0 0 317.385 2.403 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(F)c(NC(C)=O)c1)C(=O)OC ZINC000601786434 360149443 /nfs/dbraw/zinc/14/94/43/360149443.db2.gz QUQMNUICDLMLFQ-CQSZACIVSA-N 0 0 322.336 2.022 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H](O)[C@H](C)c1ccc(C)cc1)C(=O)OC ZINC000601788002 360150505 /nfs/dbraw/zinc/15/05/05/360150505.db2.gz NYXWYOWGPOYFDX-VNQPRFMTSA-N 0 0 319.401 2.083 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](C#N)CCc1ccccc1)C(=O)OC ZINC000601788695 360151487 /nfs/dbraw/zinc/15/14/87/360151487.db2.gz WSYCAOPZAXZGQD-CVEARBPZSA-N 0 0 314.385 2.383 10 30 DEEERN CC(=O)N1CCC[C@@H]1C(=O)N(c1ccc(C#N)cc1)C1CCC1 ZINC000602357405 360349621 /nfs/dbraw/zinc/34/96/21/360349621.db2.gz KDUMPVSCCIINFN-QGZVFWFLSA-N 0 0 311.385 2.455 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ncccc1C(F)(F)F)C(=O)OC ZINC000602416335 360362567 /nfs/dbraw/zinc/36/25/67/360362567.db2.gz WYCJHZUVBOTHGT-JTQLQIEISA-N 0 0 316.279 2.338 10 30 DEEERN C=C(C)C[C@H](NCc1ccc(Br)cn1)C(=O)OC ZINC000602733616 360525183 /nfs/dbraw/zinc/52/51/83/360525183.db2.gz JURRKFLWGABDBZ-LBPRGKRZSA-N 0 0 313.195 2.442 10 30 DEEERN C=C(C)C[C@H](NCc1cc2c(cc1OC)OCO2)C(=O)OC ZINC000602734668 360526091 /nfs/dbraw/zinc/52/60/91/360526091.db2.gz QUCCQIYXESTMSG-LBPRGKRZSA-N 0 0 307.346 2.021 10 30 DEEERN N#CC1CCC(CNC(=O)[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000441143316 238007972 /nfs/dbraw/zinc/00/79/72/238007972.db2.gz HTVIMZLQWLQWOD-BPCQOVAHSA-N 0 0 317.355 2.317 10 30 DEEERN N#Cc1ccc(C(=O)NCC[C@@H]2COc3ccccc3O2)cc1O ZINC000442673347 238061605 /nfs/dbraw/zinc/06/16/05/238061605.db2.gz UGBWQBDWGMSZDB-CQSZACIVSA-N 0 0 324.336 2.224 10 30 DEEERN C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)c1ccncc1 ZINC000610518473 361414949 /nfs/dbraw/zinc/41/49/49/361414949.db2.gz SBMVJGNJFGKMHG-LBPRGKRZSA-N 0 0 301.371 2.035 10 30 DEEERN C=CC(C)(C)CCNC(=O)Cc1ccccc1S(C)(=O)=O ZINC000628313533 366806420 /nfs/dbraw/zinc/80/64/20/366806420.db2.gz RMLIMFGXWBWPBJ-UHFFFAOYSA-N 0 0 309.431 2.351 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1nnn(Cc2ccncc2)c1C ZINC000628313634 366806473 /nfs/dbraw/zinc/80/64/73/366806473.db2.gz WJMQKVWUHHAVQT-UHFFFAOYSA-N 0 0 313.405 2.362 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000628317486 366807631 /nfs/dbraw/zinc/80/76/31/366807631.db2.gz MAROFJCIDOWORL-ZJUUUORDSA-N 0 0 306.328 2.162 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NC[C@@H](n1cccn1)C(F)(F)F ZINC000628330791 366814995 /nfs/dbraw/zinc/81/49/95/366814995.db2.gz QBEUZSLVRWLXAJ-YPMHNXCESA-N 0 0 319.327 2.332 10 30 DEEERN COC(=O)CC1(NC(=O)c2ccc(C#N)cc2C)CCCC1 ZINC000193889848 201140898 /nfs/dbraw/zinc/14/08/98/201140898.db2.gz GIGMYCDRWVZFOG-UHFFFAOYSA-N 0 0 300.358 2.472 10 30 DEEERN CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C#N)CC(C)C)c1 ZINC000611194332 361546483 /nfs/dbraw/zinc/54/64/83/361546483.db2.gz YVLXLMBYAKRGRO-CYBMUJFWSA-N 0 0 308.403 2.148 10 30 DEEERN C=CCOCCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000611544916 361626773 /nfs/dbraw/zinc/62/67/73/361626773.db2.gz ABVUOGARXDJOKZ-LLVKDONJSA-N 0 0 310.375 2.394 10 30 DEEERN C=CCOCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000611545124 361626977 /nfs/dbraw/zinc/62/69/77/361626977.db2.gz UCARUNHKYMUBHW-UHFFFAOYSA-N 0 0 301.302 2.075 10 30 DEEERN CC1(C#N)CCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 ZINC000611561017 361632610 /nfs/dbraw/zinc/63/26/10/361632610.db2.gz SGWZAFLSUOCXOX-UHFFFAOYSA-N 0 0 309.373 2.092 10 30 DEEERN C=CCN1CC[C@@H](N(C)c2cc(C#N)nc3ccccc32)C1=O ZINC000619588670 363835734 /nfs/dbraw/zinc/83/57/34/363835734.db2.gz SSBFISMIVJMHEJ-MRXNPFEDSA-N 0 0 306.369 2.330 10 30 DEEERN C[C@@H](CO)COc1ccc(C#N)cc1I ZINC000619586139 363833881 /nfs/dbraw/zinc/83/38/81/363833881.db2.gz HREZSFIMGIXKOW-QMMMGPOBSA-N 0 0 317.126 2.170 10 30 DEEERN CCCN(Cc1ccccc1F)C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000619585992 363834406 /nfs/dbraw/zinc/83/44/06/363834406.db2.gz IEESJWBIIHEOEU-LBPRGKRZSA-N 0 0 315.352 2.289 10 30 DEEERN N#CC1CCC(CNc2nccc(N3CCOCC3)n2)CC1 ZINC000619651687 363847883 /nfs/dbraw/zinc/84/78/83/363847883.db2.gz CCZGPZSNFRAWDK-UHFFFAOYSA-N 0 0 301.394 2.055 10 30 DEEERN C=CCC(CC=C)C(=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC000620101085 363956155 /nfs/dbraw/zinc/95/61/55/363956155.db2.gz GDLCXSGZYMOYMQ-HNNXBMFYSA-N 0 0 305.422 2.161 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000620310229 364013734 /nfs/dbraw/zinc/01/37/34/364013734.db2.gz JQNKRXDXCQVPOI-TXEJJXNPSA-N 0 0 309.387 2.147 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N[C@H]1CCc2ccccc2-n2ccnc21 ZINC000621174865 364291641 /nfs/dbraw/zinc/29/16/41/364291641.db2.gz DOTJGIXBYBIWGQ-KBXCAEBGSA-N 0 0 311.385 2.303 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C[C@@H](NC(N)=O)c2cccs2)C1 ZINC000628484527 366863863 /nfs/dbraw/zinc/86/38/63/366863863.db2.gz OZSSLDUCUVEGMR-NWDGAFQWSA-N 0 0 307.419 2.272 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cnc3scc(C)n3c2=O)C1 ZINC000628489898 366865434 /nfs/dbraw/zinc/86/54/34/366865434.db2.gz KKPUUHFLPPRFSI-NSHDSACASA-N 0 0 303.387 2.103 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000628487993 366865493 /nfs/dbraw/zinc/86/54/93/366865493.db2.gz PKCNTRVCIJSQBL-ZDUSSCGKSA-N 0 0 322.430 2.025 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(OC)cc1OC ZINC000622763864 364791959 /nfs/dbraw/zinc/79/19/59/364791959.db2.gz PHVOGZAYYWANTI-CQSZACIVSA-N 0 0 306.362 2.113 10 30 DEEERN C=CC(C)(C)CCNC(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000623405743 365017116 /nfs/dbraw/zinc/01/71/16/365017116.db2.gz YCXPUCMLLJGNAF-UHFFFAOYSA-N 0 0 307.438 2.289 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCCc2nnc3n2CCCCC3)C1 ZINC000623401397 365015487 /nfs/dbraw/zinc/01/54/87/365015487.db2.gz ZMQKPEHGNAPNNF-CQSZACIVSA-N 0 0 317.437 2.155 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2nncn2-c2ccccc2)C1 ZINC000623473109 365042730 /nfs/dbraw/zinc/04/27/30/365042730.db2.gz JSOOAEASKRYUAZ-AWEZNQCLSA-N 0 0 311.389 2.375 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC000623482923 365046258 /nfs/dbraw/zinc/04/62/58/365046258.db2.gz LZBJNNBYDVYMIG-ZDUSSCGKSA-N 0 0 318.373 2.402 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCc1nnnn1-c1ccccc1 ZINC000623583321 365089595 /nfs/dbraw/zinc/08/95/95/365089595.db2.gz DRWOKKHEMXCTHP-UHFFFAOYSA-N 0 0 314.393 2.064 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@@H](c1cccc(C)c1)C(C)C ZINC000623861983 365203150 /nfs/dbraw/zinc/20/31/50/365203150.db2.gz IGWYCXIBVZSTFT-MRXNPFEDSA-N 0 0 303.406 2.294 10 30 DEEERN C=CCOc1ccc(CNC(=O)NC[C@H]2C[C@@H](OC)C2)cc1 ZINC000624038605 365262429 /nfs/dbraw/zinc/26/24/29/365262429.db2.gz OMBZCZOYGSCZAG-FZNQNYSPSA-N 0 0 304.390 2.476 10 30 DEEERN C=CC(C)(C)CCNC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000624306666 365374124 /nfs/dbraw/zinc/37/41/24/365374124.db2.gz LITNKRFTZYFZSZ-KFWWJZLASA-N 0 0 311.470 2.386 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](CC)C1 ZINC000624462743 365430054 /nfs/dbraw/zinc/43/00/54/365430054.db2.gz BSUOLJKISXYQLI-OLZOCXBDSA-N 0 0 316.467 2.196 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NCc1cnc2cnc(Br)cn12 ZINC000092049989 193148170 /nfs/dbraw/zinc/14/81/70/193148170.db2.gz GDODKEMPNQHGSD-ONGXEEELSA-N 0 0 320.194 2.274 10 30 DEEERN N#Cc1ccc(CN2CCC(CC(=O)N3CCCC3)CC2)o1 ZINC000092056093 193149015 /nfs/dbraw/zinc/14/90/15/193149015.db2.gz BQLZOQUESQVHRJ-UHFFFAOYSA-N 0 0 301.390 2.376 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000449892175 241217699 /nfs/dbraw/zinc/21/76/99/241217699.db2.gz NEMFYIXYXOFJLE-SWLSCSKDSA-N 0 0 303.406 2.468 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000449918318 241247922 /nfs/dbraw/zinc/24/79/22/241247922.db2.gz YIHBBQONGPLGOU-UHFFFAOYSA-N 0 0 314.292 2.302 10 30 DEEERN C=C(C)[C@H](CC(=O)NC[C@H]1c2ccccc2C(=O)N1C)OCC ZINC000628955368 367025788 /nfs/dbraw/zinc/02/57/88/367025788.db2.gz JKHOOOMFSACULZ-HOTGVXAUSA-N 0 0 316.401 2.301 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)Nc1cnc(OC)c(OC)c1 ZINC000629253633 367134805 /nfs/dbraw/zinc/13/48/05/367134805.db2.gz AHSOOQAPYMKYEO-LBPRGKRZSA-N 0 0 305.378 2.100 10 30 DEEERN C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000629434846 367198550 /nfs/dbraw/zinc/19/85/50/367198550.db2.gz GUFAWPLJZMEYJQ-SJLPKXTDSA-N 0 0 317.433 2.001 10 30 DEEERN C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000629433551 367198594 /nfs/dbraw/zinc/19/85/94/367198594.db2.gz QDBRUHAJHWULOS-MRXNPFEDSA-N 0 0 317.433 2.001 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cccc(OCCCOC)c2)C1=O ZINC000630509871 367697887 /nfs/dbraw/zinc/69/78/87/367697887.db2.gz RUEGLHXAFYRDIZ-HNNXBMFYSA-N 0 0 318.373 2.493 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H](C)COc2cccc(F)c2)C1=O ZINC000630967877 367941753 /nfs/dbraw/zinc/94/17/53/367941753.db2.gz OEXPRNBMBYODOL-FZMZJTMJSA-N 0 0 306.337 2.480 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCc2ccc(OC)cc2OC)C1=O ZINC000630967818 367941779 /nfs/dbraw/zinc/94/17/79/367941779.db2.gz NZASVDSNLDKOAW-CQSZACIVSA-N 0 0 318.373 2.133 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccnc(N3CCCC3)c2)C1=O ZINC000630969118 367942483 /nfs/dbraw/zinc/94/24/83/367942483.db2.gz YOVOSFPPNNBKOD-AWEZNQCLSA-N 0 0 314.389 2.068 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H](COC)c2ccc(CC)o2)C1=O ZINC000630975990 367946750 /nfs/dbraw/zinc/94/67/50/367946750.db2.gz LRVPMDRNMWUOCR-QWHCGFSZSA-N 0 0 306.362 2.416 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCc2cc(C)c(O)c(C)c2)C1=O ZINC000630982537 367949336 /nfs/dbraw/zinc/94/93/36/367949336.db2.gz PKMHEJYVVPIUES-CQSZACIVSA-N 0 0 302.374 2.438 10 30 DEEERN C=CCOCCCNc1c2ccccc2ccc1S(N)(=O)=O ZINC000631370818 368184234 /nfs/dbraw/zinc/18/42/34/368184234.db2.gz WZNMRTWPOJMCBU-UHFFFAOYSA-N 0 0 320.414 2.492 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCC(=O)[C@H](C)C2)cc1OC ZINC000275200900 212192752 /nfs/dbraw/zinc/19/27/52/212192752.db2.gz DBIRAGLFCYAILQ-GFCCVEGCSA-N 0 0 303.358 2.311 10 30 DEEERN CC(C)N[C@@]1(C#N)CC[C@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093806738 193308954 /nfs/dbraw/zinc/30/89/54/193308954.db2.gz JHNNQFFPUZDIOE-HZMBPMFUSA-N 0 0 302.407 2.258 10 30 DEEERN CN(Cc1cnc2ccc(C#N)cn12)[C@H]1CCCc2c1cnn2C ZINC000093863926 193320128 /nfs/dbraw/zinc/32/01/28/193320128.db2.gz JSOIFXHTEBEBSC-INIZCTEOSA-N 0 0 320.400 2.449 10 30 DEEERN Cc1csc([C@@H](C)NC(=O)c2csc(C#CCO)c2)n1 ZINC000093975327 193332730 /nfs/dbraw/zinc/33/27/30/193332730.db2.gz ZBRITDYUMJFHOL-SNVBAGLBSA-N 0 0 306.412 2.348 10 30 DEEERN Cc1csc(CCNC(=O)c2cc(C)c(C#CCO)s2)n1 ZINC000094535333 193377106 /nfs/dbraw/zinc/37/71/06/193377106.db2.gz TZZZMUNMKDLRLP-UHFFFAOYSA-N 0 0 320.439 2.138 10 30 DEEERN CC[C@@H]1CN(C(=O)c2cc(C)c(C#CCCO)s2)CCO1 ZINC000094533987 193377701 /nfs/dbraw/zinc/37/77/01/193377701.db2.gz FSJZTTUNPRDNND-CYBMUJFWSA-N 0 0 307.415 2.041 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)c1cc(C(F)(F)F)ccc1NN ZINC000094596699 193382421 /nfs/dbraw/zinc/38/24/21/193382421.db2.gz KOIJJOSRDKNCSU-MRVPVSSYSA-N 0 0 300.284 2.365 10 30 DEEERN CCN(CCC#N)C(=O)c1cccc(C(F)(F)F)c1NN ZINC000094599460 193382882 /nfs/dbraw/zinc/38/28/82/193382882.db2.gz LYDHQLTYYSYGQE-UHFFFAOYSA-N 0 0 300.284 2.367 10 30 DEEERN C=CCCN(C)C(=O)C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000453742317 245269874 /nfs/dbraw/zinc/26/98/74/245269874.db2.gz UGKXUFRHPOKBDC-UHFFFAOYSA-N 0 0 318.421 2.441 10 30 DEEERN N#CCc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000453675676 245248918 /nfs/dbraw/zinc/24/89/18/245248918.db2.gz RNDPCOCCZQKPCD-GJZGRUSLSA-N 0 0 311.385 2.340 10 30 DEEERN C#CCOc1cccc(NC(=O)N2CCC([C@H](C)O)CC2)c1 ZINC000265351438 204550231 /nfs/dbraw/zinc/55/02/31/204550231.db2.gz JRQVQMSRLMSVRQ-ZDUSSCGKSA-N 0 0 302.374 2.323 10 30 DEEERN Cc1nc(C2(NC(=O)c3cc(C#N)ccn3)CCCCC2)no1 ZINC000282966668 217357352 /nfs/dbraw/zinc/35/73/52/217357352.db2.gz IFKWSTAJVXZMIC-UHFFFAOYSA-N 0 0 311.345 2.234 10 30 DEEERN O=C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000019678767 182136102 /nfs/dbraw/zinc/13/61/02/182136102.db2.gz VASGSQLROLFRQH-ZDUSSCGKSA-N 0 0 307.415 2.165 10 30 DEEERN CN(CC/C(N)=N/O)Cc1cc(F)ccc1Br ZINC000019834089 182155063 /nfs/dbraw/zinc/15/50/63/182155063.db2.gz DQKRGYPKVCRUPZ-UHFFFAOYSA-N 0 0 304.163 2.157 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000160449928 197411097 /nfs/dbraw/zinc/41/10/97/197411097.db2.gz SDTGCWJVVWSBTB-STQMWFEESA-N 0 0 302.378 2.205 10 30 DEEERN Cc1cc(CN2CCN(C(=O)c3ccc(C#N)cc3C)CC2)on1 ZINC000160144011 197389174 /nfs/dbraw/zinc/38/91/74/197389174.db2.gz LTTNZYRXQYGJMO-UHFFFAOYSA-N 0 0 324.384 2.121 10 30 DEEERN N#CCn1c2c3ccccc3oc2c(=O)n(Cc2ccco2)c1=O ZINC000020921345 182253223 /nfs/dbraw/zinc/25/32/23/182253223.db2.gz UDLWEMSBLCOLJO-UHFFFAOYSA-N 0 0 321.292 2.074 10 30 DEEERN C=CCOc1ccc(C(=O)NCCOC)cc1Br ZINC000021266503 182270477 /nfs/dbraw/zinc/27/04/77/182270477.db2.gz DXAJTVZCXGYNOD-UHFFFAOYSA-N 0 0 314.179 2.390 10 30 DEEERN C=C(C)CCNC(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000458995537 248563430 /nfs/dbraw/zinc/56/34/30/248563430.db2.gz HGHYFASJDCEHNT-UHFFFAOYSA-N 0 0 307.438 2.387 10 30 DEEERN C=CCN(CCC#N)S(=O)(=O)Cc1ccccc1COC ZINC000490103042 248863466 /nfs/dbraw/zinc/86/34/66/248863466.db2.gz LHZLRYBVYDMFTG-UHFFFAOYSA-N 0 0 308.403 2.064 10 30 DEEERN CC(C)(C)CNS(=O)(=O)c1ccc(C#CCO)cc1Cl ZINC000040495152 183081357 /nfs/dbraw/zinc/08/13/57/183081357.db2.gz QIPOXAJGNKMLAF-UHFFFAOYSA-N 0 0 315.822 2.008 10 30 DEEERN CCc1ccc(Nc2ncnc(N(CC#N)CC#N)c2N)cc1 ZINC000040688440 183118077 /nfs/dbraw/zinc/11/80/77/183118077.db2.gz RELRCQPIQOZAQS-UHFFFAOYSA-N 0 0 307.361 2.218 10 30 DEEERN CN(Cc1cc(C#CCCO)cs1)C(=O)CC(F)(F)F ZINC000042401281 183264647 /nfs/dbraw/zinc/26/46/47/183264647.db2.gz JUZNBKYVDKWLPE-UHFFFAOYSA-N 0 0 305.321 2.393 10 30 DEEERN COC(=O)CN(C(=O)c1ccccc1SCC#N)C(C)C ZINC000042712243 183300638 /nfs/dbraw/zinc/30/06/38/183300638.db2.gz HMLMJQYSWHEAND-UHFFFAOYSA-N 0 0 306.387 2.326 10 30 DEEERN C[C@@H](NC(=O)N1CCO[C@H](C#N)C1)c1ccc(F)c(Cl)c1 ZINC000106335200 194198044 /nfs/dbraw/zinc/19/80/44/194198044.db2.gz GDCKVCIANJWLPQ-MWLCHTKSSA-N 0 0 311.744 2.474 10 30 DEEERN Cc1nc(NC(=O)c2cncc(C#CCCO)c2)sc1C ZINC000049628818 183748749 /nfs/dbraw/zinc/74/87/49/183748749.db2.gz OINDIIZHPBQNMN-UHFFFAOYSA-N 0 0 301.371 2.141 10 30 DEEERN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)c1ccnc(C#N)c1 ZINC000285438331 218436611 /nfs/dbraw/zinc/43/66/11/218436611.db2.gz ISOGYEXHRMNCQU-NUJGCVRESA-N 0 0 313.401 2.499 10 30 DEEERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000109853144 194294005 /nfs/dbraw/zinc/29/40/05/194294005.db2.gz OJTWNIDSMJEVKE-OAHLLOKOSA-N 0 0 309.373 2.189 10 30 DEEERN CC(C)CC(=O)N[C@@H](C(=O)Nc1ccc(C#N)cn1)C(C)C ZINC000110288550 194320390 /nfs/dbraw/zinc/32/03/90/194320390.db2.gz JLPHGRYHZGTMCI-OAHLLOKOSA-N 0 0 302.378 2.079 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)[C@H](OC)c1ccc(OC)cc1 ZINC000273446409 210781813 /nfs/dbraw/zinc/78/18/13/210781813.db2.gz XEPUXCOFYCDABY-XPKDYRNWSA-N 0 0 322.405 2.007 10 30 DEEERN N#CC1(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CCCCC1 ZINC000057389154 184036909 /nfs/dbraw/zinc/03/69/09/184036909.db2.gz MYNGYAZHVNUMEX-CQSZACIVSA-N 0 0 313.405 2.036 10 30 DEEERN CC(C)n1c(N)nnc1SCC(=O)Nc1sccc1C#N ZINC000057952173 184064153 /nfs/dbraw/zinc/06/41/53/184064153.db2.gz VGWVIALDHRCQPS-UHFFFAOYSA-N 0 0 322.419 2.105 10 30 DEEERN N#C[C@]1([C@@H](O)c2csc3ccccc32)CCS(=O)(=O)C1 ZINC000157648351 197204588 /nfs/dbraw/zinc/20/45/88/197204588.db2.gz WWBJATCSZSTNGR-UONOGXRCSA-N 0 0 307.396 2.263 10 30 DEEERN CN(Cc1csc(C#CCCO)c1)C(=O)NCC(F)(F)F ZINC000158096147 197243595 /nfs/dbraw/zinc/24/35/95/197243595.db2.gz RCOVXNCCAWNREX-UHFFFAOYSA-N 0 0 320.336 2.186 10 30 DEEERN CCCN[C@](C)(C#N)CCCCSc1n[nH]c(=O)n1CC ZINC000061607193 184177829 /nfs/dbraw/zinc/17/78/29/184177829.db2.gz HXZXXIHEGUGCAC-AWEZNQCLSA-N 0 0 311.455 2.136 10 30 DEEERN COc1ccc([C@@H](CCO)NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000535662701 284902723 /nfs/dbraw/zinc/90/27/23/284902723.db2.gz UONADDGZKCYHIG-GOSISDBHSA-N 0 0 324.380 2.349 10 30 DEEERN CN(C(=O)c1cc(Cl)nc(NN)c1)c1cccc(C#N)c1 ZINC000061949951 184198471 /nfs/dbraw/zinc/19/84/71/184198471.db2.gz LZECUNYTFXVJAT-UHFFFAOYSA-N 0 0 301.737 2.169 10 30 DEEERN CCCN[C@@](C)(C#N)C[C@@H](C)Sc1n[nH]c(=O)n1C(C)C ZINC000068627018 184494105 /nfs/dbraw/zinc/49/41/05/184494105.db2.gz RYPVRRSJQUOFBG-BXUZGUMPSA-N 0 0 311.455 2.305 10 30 DEEERN CC(C)CC[C@H](C)NS(=O)(=O)c1cccc(C#CCO)c1 ZINC000069235795 184505096 /nfs/dbraw/zinc/50/50/96/184505096.db2.gz QCYWUSKVVGKQKP-AWEZNQCLSA-N 0 0 309.431 2.133 10 30 DEEERN C=C(C)[C@H](CC(=O)NCc1cccnc1-n1ccnc1)OCC ZINC000270018620 208071572 /nfs/dbraw/zinc/07/15/72/208071572.db2.gz IBIUGTBTONCSRC-HNNXBMFYSA-N 0 0 314.389 2.255 10 30 DEEERN C#CC[C@@H](CC)Nc1ncncc1I ZINC000159187265 197334023 /nfs/dbraw/zinc/33/40/23/197334023.db2.gz AVFSNFXODOKWMB-MRVPVSSYSA-N 0 0 301.131 2.295 10 30 DEEERN CC1(C)CN(C(=O)c2cc(F)ccc2C#CCO)CCS1 ZINC000159023259 197319929 /nfs/dbraw/zinc/31/99/29/197319929.db2.gz LSOKBPUZSUYMLU-UHFFFAOYSA-N 0 0 307.390 2.137 10 30 DEEERN C#CCCCCNC(=O)C(=O)Nc1cc(F)ccc1OC(C)C ZINC000159016397 197319115 /nfs/dbraw/zinc/31/91/15/197319115.db2.gz VXUUDJBTZGCALI-UHFFFAOYSA-N 0 0 320.364 2.471 10 30 DEEERN C[C@H](C(=O)N(C1CC1)[C@@H]1CCc2ccccc21)n1cnc(C#N)n1 ZINC000540958297 285145604 /nfs/dbraw/zinc/14/56/04/285145604.db2.gz OODALIMXPRXOND-MLGOLLRUSA-N 0 0 321.384 2.389 10 30 DEEERN C[C@@H]1[C@H](C)SCCN1S(=O)(=O)Cc1ccccc1C#N ZINC000158444966 197272898 /nfs/dbraw/zinc/27/28/98/197272898.db2.gz MGRXKONTALYROG-NEPJUHHUSA-N 0 0 310.444 2.214 10 30 DEEERN Cc1cc(NC(=O)NCC(F)(F)F)ccc1C#CCCO ZINC000158092783 197242492 /nfs/dbraw/zinc/24/24/92/197242492.db2.gz GCKZIBQHEWWSJP-UHFFFAOYSA-N 0 0 300.280 2.413 10 30 DEEERN C#CC[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1F ZINC000157840997 197219416 /nfs/dbraw/zinc/21/94/16/197219416.db2.gz ZRTHWDPRDRWHCD-MRVPVSSYSA-N 0 0 320.183 2.278 10 30 DEEERN C#CCCNc1c(Br)cnn(CC2CCC2)c1=O ZINC000157591818 197199690 /nfs/dbraw/zinc/19/96/90/197199690.db2.gz KMPTVAGSJRJBTC-UHFFFAOYSA-N 0 0 310.195 2.241 10 30 DEEERN COC(=O)[C@@]12CCC[C@@H]1CN(c1ncc(C#N)cc1Cl)C2 ZINC000302179446 533154057 /nfs/dbraw/zinc/15/40/57/533154057.db2.gz NPKYYFMINPTFBI-IAQYHMDHSA-N 0 0 305.765 2.386 10 30 DEEERN O=C(NCc1cccc(C#CCCO)c1)[C@H]1CCCCS1 ZINC000156273201 197100328 /nfs/dbraw/zinc/10/03/28/197100328.db2.gz AWWIWOFGEWILBL-MRXNPFEDSA-N 0 0 303.427 2.322 10 30 DEEERN C=CCCOCCNC(=O)C(=O)Nc1ccc(CC)c(F)c1 ZINC000154654187 196982466 /nfs/dbraw/zinc/98/24/66/196982466.db2.gz ZKBUUNZOUJNMIE-UHFFFAOYSA-N 0 0 308.353 2.036 10 30 DEEERN N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2nncs2)c1 ZINC000247647401 257118156 /nfs/dbraw/zinc/11/81/56/257118156.db2.gz KVUPCNDGFIALHB-LSDHHAIUSA-N 0 0 311.414 2.263 10 30 DEEERN C=CCOC[C@@H]1CC[C@@H]2[C@@H](CCN2C(=O)c2ccncc2)O1 ZINC000253375711 257106106 /nfs/dbraw/zinc/10/61/06/257106106.db2.gz QSTQZKYJFKIVTB-ARFHVFGLSA-N 0 0 302.374 2.046 10 30 DEEERN COc1cccnc1N(C)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000121169311 195301970 /nfs/dbraw/zinc/30/19/70/195301970.db2.gz RKPDZEHKSLCRNQ-LBPRGKRZSA-N 0 0 311.341 2.392 10 30 DEEERN COc1cc(Cl)c(C)cc1NC(=O)Cn1ccnc1C#N ZINC000124032565 195596717 /nfs/dbraw/zinc/59/67/17/195596717.db2.gz LUZQAUUNERXHRC-UHFFFAOYSA-N 0 0 304.737 2.364 10 30 DEEERN Cc1nnsc1C(=O)Nc1cc(Cl)ccc1C#CCCO ZINC000125400503 195745222 /nfs/dbraw/zinc/74/52/22/195745222.db2.gz KPCNCRSVWOVPKR-UHFFFAOYSA-N 0 0 321.789 2.486 10 30 DEEERN O=S1(=O)CCC(=NNc2ccccn2)c2cc(F)ccc21 ZINC000033043956 296475977 /nfs/dbraw/zinc/47/59/77/296475977.db2.gz FANNOWUSHOMCRC-ATVHPVEESA-N 0 0 305.334 2.214 10 30 DEEERN N#Cc1cc2c(nc1N1CCN(c3ccc(F)cn3)CC1)CCC2 ZINC000362307025 133223217 /nfs/dbraw/zinc/22/32/17/133223217.db2.gz RQZUBOOPFHWADE-UHFFFAOYSA-N 0 0 323.375 2.303 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000178626274 144862125 /nfs/dbraw/zinc/86/21/25/144862125.db2.gz DHGXZSRFWUHTAD-HNNXBMFYSA-N 0 0 319.364 2.402 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1ncnn1CC(C)C ZINC000180060816 144883426 /nfs/dbraw/zinc/88/34/26/144883426.db2.gz MIJQFIXONXSPLF-UHFFFAOYSA-N 0 0 321.388 2.421 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)c2ccc(C=O)cc2)cn1 ZINC000184276882 144942285 /nfs/dbraw/zinc/94/22/85/144942285.db2.gz XVUKIFWWMGCZDJ-UHFFFAOYSA-N 0 0 317.308 2.204 10 30 DEEERN CO[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CC[C@@H]1C ZINC000187577110 145000642 /nfs/dbraw/zinc/00/06/42/145000642.db2.gz JQDLILCHWWTWIM-BBRMVZONSA-N 0 0 317.389 2.003 10 30 DEEERN C[C@@H]1C(=O)NCCCN1Cc1ccc(C#N)cc1Br ZINC000189324367 145025744 /nfs/dbraw/zinc/02/57/44/145025744.db2.gz PNWGMSRODFDSRS-SNVBAGLBSA-N 0 0 322.206 2.031 10 30 DEEERN CS(=O)(=O)N(Cc1ccc(C#N)c(F)c1)Cc1ccccn1 ZINC000190034449 145036986 /nfs/dbraw/zinc/03/69/86/145036986.db2.gz RQNFZGXMGGOHEX-UHFFFAOYSA-N 0 0 319.361 2.054 10 30 DEEERN N#Cc1cc(C(=O)N2CCO[C@@H](c3ccccc3F)C2)ccn1 ZINC000193111954 145081897 /nfs/dbraw/zinc/08/18/97/145081897.db2.gz FJGRDJBXYDKXED-MRXNPFEDSA-N 0 0 311.316 2.306 10 30 DEEERN Cc1oc(NC(=O)CN2CC[C@H]3OCCC[C@H]3C2)c(C#N)c1C ZINC000246453899 145103683 /nfs/dbraw/zinc/10/36/83/145103683.db2.gz BYPIMKIRQIRLRL-DZGCQCFKSA-N 0 0 317.389 2.208 10 30 DEEERN C[C@H](C(=O)N1CCC=C(c2ccccc2)C1)n1cnc(C#N)n1 ZINC000551685244 285900703 /nfs/dbraw/zinc/90/07/03/285900703.db2.gz PSOSXNZOMLVBKM-CYBMUJFWSA-N 0 0 307.357 2.027 10 30 DEEERN N#Cc1ccc(S(=O)(=O)CCN2CCCC23CCC3)cc1 ZINC000373106966 148211539 /nfs/dbraw/zinc/21/15/39/148211539.db2.gz OHPLBTYZJQMEHF-UHFFFAOYSA-N 0 0 304.415 2.350 10 30 DEEERN CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)N(C)C1 ZINC000329006491 286079739 /nfs/dbraw/zinc/07/97/39/286079739.db2.gz ZAPZGELYIXRVOT-XGUBFFRZSA-N 0 0 306.410 2.042 10 30 DEEERN CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)N(C)C1 ZINC000329061072 286079811 /nfs/dbraw/zinc/07/98/11/286079811.db2.gz ZFFMYVGONGLRNG-XUWVNRHRSA-N 0 0 304.390 2.192 10 30 DEEERN CCOCCN1CCN(C(=O)C2(C#N)CCCCC2)C[C@H]1C ZINC000117278275 286083444 /nfs/dbraw/zinc/08/34/44/286083444.db2.gz KJHGIYZMSZAMJO-OAHLLOKOSA-N 0 0 307.438 2.030 10 30 DEEERN O=C(CO/N=C/c1cccc([N+](=O)[O-])c1)NCc1ccccc1 ZINC000003301166 401723980 /nfs/dbraw/zinc/72/39/80/401723980.db2.gz KQDPTXIIPFQYAX-WOJGMQOQSA-N 0 0 313.313 2.262 10 30 DEEERN C=C(C)COc1cc(C[NH2+][C@H](C)Cn2cncn2)ccc1OC ZINC000127290564 401727548 /nfs/dbraw/zinc/72/75/48/401727548.db2.gz WBCPFKVVBSZXHM-CQSZACIVSA-N 0 0 316.405 2.420 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N(CC)CC3CC3)cc2C1=O ZINC000112179997 401732418 /nfs/dbraw/zinc/73/24/18/401732418.db2.gz KPCBUFUPFNANMU-UHFFFAOYSA-N 0 0 312.369 2.341 10 30 DEEERN O=C(Cn1cnc(Cl)c1Cl)NOC(=O)c1cccs1 ZINC000000160962 401688780 /nfs/dbraw/zinc/68/87/80/401688780.db2.gz XOKWTHZCRTXDFX-UHFFFAOYSA-N 0 0 320.157 2.140 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)NCCn1cc(C)cn1 ZINC000127907651 401754877 /nfs/dbraw/zinc/75/48/77/401754877.db2.gz RHAWOLUICYQETI-UHFFFAOYSA-N 0 0 315.373 2.195 10 30 DEEERN C=CCCO[C@H](C)C(=O)N(C)Cc1nc(-c2cccnc2)no1 ZINC000114130001 401792822 /nfs/dbraw/zinc/79/28/22/401792822.db2.gz WZVFXAYCOKCSHI-GFCCVEGCSA-N 0 0 316.361 2.071 10 30 DEEERN C#CCSCCNC(=O)Cc1coc2cc(OC)ccc12 ZINC000130174397 401821672 /nfs/dbraw/zinc/82/16/72/401821672.db2.gz YPXXLULJIWKCDY-UHFFFAOYSA-N 0 0 303.383 2.467 10 30 DEEERN N#CCSCC(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000115220870 401821681 /nfs/dbraw/zinc/82/16/81/401821681.db2.gz MVPILDQKZAPFTD-UHFFFAOYSA-N 0 0 308.378 2.452 10 30 DEEERN N#CCCN(Cc1ccco1)C(=O)c1cccc(-n2cncn2)c1 ZINC000115352894 401825452 /nfs/dbraw/zinc/82/54/52/401825452.db2.gz IXRVFRGAEIZXLA-UHFFFAOYSA-N 0 0 321.340 2.416 10 30 DEEERN CC(C)Cn1ccnc1CNC(=O)COc1ccccc1C#N ZINC000131164065 401845368 /nfs/dbraw/zinc/84/53/68/401845368.db2.gz AGGHMPWCZAETAZ-UHFFFAOYSA-N 0 0 312.373 2.106 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)cn1 ZINC000116352169 401850722 /nfs/dbraw/zinc/85/07/22/401850722.db2.gz QSDCEBSGNXGPBG-CYBMUJFWSA-N 0 0 303.343 2.072 10 30 DEEERN CN(CCC(=O)N(C)CCC#N)Cc1nc2c(s1)CCCC2 ZINC000131748554 401856325 /nfs/dbraw/zinc/85/63/25/401856325.db2.gz MAQOJNUZLYIIEG-UHFFFAOYSA-N 0 0 320.462 2.216 10 30 DEEERN N#CCCN(CCN1CCOCC1)Cc1ccc2ccccc2n1 ZINC000078720020 401862967 /nfs/dbraw/zinc/86/29/67/401862967.db2.gz OQCGBMUNDRTBED-UHFFFAOYSA-N 0 0 324.428 2.283 10 30 DEEERN C=CC[C@@H](C)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000116905055 401863917 /nfs/dbraw/zinc/86/39/17/401863917.db2.gz PKKBKSYGSQDAMG-SECBINFHSA-N 0 0 317.794 2.354 10 30 DEEERN C=CCCCN(C)C(=O)CCN1c2ccccc2OCC1=O ZINC000078828000 401867310 /nfs/dbraw/zinc/86/73/10/401867310.db2.gz AFVXMCKIDNHPSN-UHFFFAOYSA-N 0 0 302.374 2.227 10 30 DEEERN COc1ccc(CN(CCS(C)(=O)=O)C(C)(C)C)cc1C#N ZINC000135167128 401929181 /nfs/dbraw/zinc/92/91/81/401929181.db2.gz WLCQQDRDFXPMQM-UHFFFAOYSA-N 0 0 324.446 2.212 10 30 DEEERN CCc1ncc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cn1 ZINC000133347591 401882665 /nfs/dbraw/zinc/88/26/65/401882665.db2.gz RPLCXXGCWIKWHV-UHFFFAOYSA-N 0 0 323.356 2.206 10 30 DEEERN C[C@@H](O)CCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000118721557 401905215 /nfs/dbraw/zinc/90/52/15/401905215.db2.gz BCQWFFPYQLPYQA-GFCCVEGCSA-N 0 0 314.341 2.231 10 30 DEEERN CCCC[C@@H](NC(=O)NCC)C(=O)NCc1ccc(C#N)cc1 ZINC000137308911 401981690 /nfs/dbraw/zinc/98/16/90/401981690.db2.gz ZGGCCXSERUIGPE-OAHLLOKOSA-N 0 0 316.405 2.052 10 30 DEEERN COC(=O)c1cc(F)ccc1Cn1ccc(C)c(C#N)c1=O ZINC000137615445 401985228 /nfs/dbraw/zinc/98/52/28/401985228.db2.gz AETVDTVNTSNFRW-UHFFFAOYSA-N 0 0 300.289 2.002 10 30 DEEERN CCO[C@H]1C[C@H]([N@H+](C)CC(=O)N(CC)CCC#N)C12CCCC2 ZINC000121175732 402018462 /nfs/dbraw/zinc/01/84/62/402018462.db2.gz HROPSMGUADBUQZ-HOTGVXAUSA-N 0 0 321.465 2.418 10 30 DEEERN CC(C)[C@](C)(C#N)NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000151464133 402038123 /nfs/dbraw/zinc/03/81/23/402038123.db2.gz MVULWRNZBHPRSA-LRDDRELGSA-N 0 0 309.410 2.298 10 30 DEEERN C#CCCCCNC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000151511158 402040712 /nfs/dbraw/zinc/04/07/12/402040712.db2.gz ZSYFYXFTPVORGY-UHFFFAOYSA-N 0 0 302.300 2.042 10 30 DEEERN C=CCOc1ccc(CN2CC(=O)N[C@H]3CCCC[C@@H]32)cc1 ZINC000092676513 402007413 /nfs/dbraw/zinc/00/74/13/402007413.db2.gz ABZLHYNZCVZHJX-IRXDYDNUSA-N 0 0 300.402 2.494 10 30 DEEERN C[C@@H]1CN(C(=O)CSCC#N)C[C@H](c2ccc(F)cc2)O1 ZINC000152266734 402085707 /nfs/dbraw/zinc/08/57/07/402085707.db2.gz UUDFGSJGHIXNHP-BXUZGUMPSA-N 0 0 308.378 2.371 10 30 DEEERN C=CCCOCCNC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000122711216 402091392 /nfs/dbraw/zinc/09/13/92/402091392.db2.gz IERCJZCWWXBYQE-HNNXBMFYSA-N 0 0 320.437 2.476 10 30 DEEERN CN(CC(=O)NC(C)(C)C)C(=O)Nc1ccc(F)cc1C#N ZINC000097472623 402125783 /nfs/dbraw/zinc/12/57/83/402125783.db2.gz XOQJJESYCUOZHJ-UHFFFAOYSA-N 0 0 306.341 2.076 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000103280628 402183378 /nfs/dbraw/zinc/18/33/78/402183378.db2.gz GUZXDABFFBFJDQ-DOMZBBRYSA-N 0 0 314.389 2.300 10 30 DEEERN N#C[C@H]1CN(C(=O)NC2CCC(C(F)(F)F)CC2)CCO1 ZINC000106330219 402213179 /nfs/dbraw/zinc/21/31/79/402213179.db2.gz QADBBUBQGLIVSB-ILDUYXDCSA-N 0 0 305.300 2.041 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CCO1 ZINC000106330150 402213475 /nfs/dbraw/zinc/21/34/75/402213475.db2.gz OFLFYKOTFRMSIM-OUAUKWLOSA-N 0 0 305.300 2.041 10 30 DEEERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(C#N)cn1 ZINC000107447582 402233287 /nfs/dbraw/zinc/23/32/87/402233287.db2.gz MAJLGMRFNWQGFN-SNVBAGLBSA-N 0 0 308.297 2.453 10 30 DEEERN C#CCCCCNC(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000154983779 402240909 /nfs/dbraw/zinc/24/09/09/402240909.db2.gz VRZNRNYLZYWYMG-UHFFFAOYSA-N 0 0 320.462 2.082 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)CCOCC1CC1 ZINC000155720001 402265194 /nfs/dbraw/zinc/26/51/94/402265194.db2.gz PPRNXNADXNFOIM-ZDUSSCGKSA-N 0 0 302.374 2.211 10 30 DEEERN CC(C)Cn1nc(C(=O)N[C@H](C#N)C2CC2)c2ccccc2c1=O ZINC000108831862 402262422 /nfs/dbraw/zinc/26/24/22/402262422.db2.gz NDEYCIRZSLQIQE-OAHLLOKOSA-N 0 0 324.384 2.084 10 30 DEEERN Cc1cc(C)cc(N2CC[C@H](C(=O)N[C@@H](C#N)C3CC3)C2=O)c1 ZINC000108834469 402262624 /nfs/dbraw/zinc/26/26/24/402262624.db2.gz BHCJYOYBHIMYLH-CVEARBPZSA-N 0 0 311.385 2.075 10 30 DEEERN CC(=O)c1ccc(OCCCC(=O)N[C@H](C#N)C2CC2)cc1 ZINC000108832057 402262638 /nfs/dbraw/zinc/26/26/38/402262638.db2.gz ZYIFESUYSRFGOS-MRXNPFEDSA-N 0 0 300.358 2.467 10 30 DEEERN N#C[C@@H](NC(=O)c1cccc(OC[C@H]2CCCO2)c1)C1CC1 ZINC000108829534 402262661 /nfs/dbraw/zinc/26/26/61/402262661.db2.gz OXIIORFENZSNPW-HZPDHXFCSA-N 0 0 300.358 2.276 10 30 DEEERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000070690348 402263055 /nfs/dbraw/zinc/26/30/55/402263055.db2.gz GXVZSUMZPZEBGI-CYBMUJFWSA-N 0 0 317.389 2.468 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000184746942 402296550 /nfs/dbraw/zinc/29/65/50/402296550.db2.gz MSGSVUYDWHNDCK-DZGCQCFKSA-N 0 0 305.422 2.294 10 30 DEEERN CC(C)C[C@@H](CCO)CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000176290069 402297275 /nfs/dbraw/zinc/29/72/75/402297275.db2.gz UHOIHNNEPLCHSD-LSDHHAIUSA-N 0 0 318.417 2.486 10 30 DEEERN C=CCOc1cccc(NC(=O)N[C@@H](C)Cn2cncn2)c1 ZINC000158489937 402306114 /nfs/dbraw/zinc/30/61/14/402306114.db2.gz CFBSAPHJUMSPPX-LBPRGKRZSA-N 0 0 301.350 2.053 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(C[C@@H](C)C(=O)OC)cc1 ZINC000184882546 402307016 /nfs/dbraw/zinc/30/70/16/402307016.db2.gz FEUHCCDSAWLWCW-IUODEOHRSA-N 0 0 320.389 2.097 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000184947587 402311980 /nfs/dbraw/zinc/31/19/80/402311980.db2.gz LOGGCVUDJDTFPK-ZDUSSCGKSA-N 0 0 303.362 2.020 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC(OCCCOC)C2)cc1 ZINC000176506151 402315695 /nfs/dbraw/zinc/31/56/95/402315695.db2.gz QXTABEAVECVTIZ-UHFFFAOYSA-N 0 0 305.374 2.129 10 30 DEEERN N#Cc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)nc1 ZINC000225539682 402320571 /nfs/dbraw/zinc/32/05/71/402320571.db2.gz MXCVTLMNYCXQSC-GDBMZVCRSA-N 0 0 311.316 2.040 10 30 DEEERN N#Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)c[nH]1 ZINC000225552403 402321157 /nfs/dbraw/zinc/32/11/57/402321157.db2.gz BXPYSRFJYYSYQZ-WFASDCNBSA-N 0 0 317.295 2.113 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NCCCC(C)(C)CO ZINC000160360099 402342317 /nfs/dbraw/zinc/34/23/17/402342317.db2.gz DVYKFHYBTYXKLH-ZDUSSCGKSA-N 0 0 304.390 2.240 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H](C)SCc1nnnn1C(C)C ZINC000176913878 402349932 /nfs/dbraw/zinc/34/99/32/402349932.db2.gz ZOCSBJGCOSSBPZ-GFCCVEGCSA-N 0 0 309.439 2.076 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N[C@@H]2COc3ccccc32)s1 ZINC000230340846 402350565 /nfs/dbraw/zinc/35/05/65/402350565.db2.gz ZILYZRXZIFDVKT-LLVKDONJSA-N 0 0 306.368 2.032 10 30 DEEERN N#C[C@@H](NC(=O)c1cc(COc2ccccc2F)on1)C1CC1 ZINC000185507876 402357950 /nfs/dbraw/zinc/35/79/50/402357950.db2.gz WOHKSISZQQDSHG-CQSZACIVSA-N 0 0 315.304 2.425 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@H](C)Oc1ccc(CCC(C)=O)cc1 ZINC000185702160 402370489 /nfs/dbraw/zinc/37/04/89/402370489.db2.gz MNLHIGLRKCHURF-GOEBONIOSA-N 0 0 319.401 2.029 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1csc(-n2c(C)ccc2C)n1 ZINC000185746182 402373723 /nfs/dbraw/zinc/37/37/23/402373723.db2.gz QPAIIAQKEIQTQQ-ZDUSSCGKSA-N 0 0 319.430 2.146 10 30 DEEERN C=CC[C@H](CO)NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000185775615 402376076 /nfs/dbraw/zinc/37/60/76/402376076.db2.gz YGIJEASVNJCZDR-LLVKDONJSA-N 0 0 304.173 2.425 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 ZINC000185847974 402382117 /nfs/dbraw/zinc/38/21/17/402382117.db2.gz MXLCTODPINBUGR-CYBMUJFWSA-N 0 0 322.380 2.477 10 30 DEEERN COc1ccc([C@@H](C)NC(=O)c2cc(C#N)cn2C)cc1OC ZINC000176663113 402327291 /nfs/dbraw/zinc/32/72/91/402327291.db2.gz BDGLVVXYJFIEFD-LLVKDONJSA-N 0 0 313.357 2.405 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 ZINC000185208056 402334243 /nfs/dbraw/zinc/33/42/43/402334243.db2.gz OITMUSAEOUJKCF-CQSZACIVSA-N 0 0 319.405 2.192 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCC(C2N=NC(=S)N2C)CC1 ZINC000186261249 402415931 /nfs/dbraw/zinc/41/59/31/402415931.db2.gz GFIVQMAMNBCSNT-LLVKDONJSA-N 0 0 308.451 2.412 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1nc2ccc(OC)cc2s1 ZINC000186352733 402424106 /nfs/dbraw/zinc/42/41/06/402424106.db2.gz BJMVAOUHRAKOQT-VIFPVBQESA-N 0 0 307.375 2.363 10 30 DEEERN C#CCN(C(=O)NCc1cccnc1-n1ccnc1)C1CCCC1 ZINC000163236121 402444957 /nfs/dbraw/zinc/44/49/57/402444957.db2.gz SVMMMTBWWFKYST-UHFFFAOYSA-N 0 0 323.400 2.355 10 30 DEEERN C#C[C@H](OC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)C1CC1 ZINC000187623935 402506883 /nfs/dbraw/zinc/50/68/83/402506883.db2.gz FXWPACCYOZHFRL-XQQFMLRXSA-N 0 0 311.353 2.289 10 30 DEEERN COc1ncccc1CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187662850 402506982 /nfs/dbraw/zinc/50/69/82/402506982.db2.gz PORCDXUGIOVQOY-UHFFFAOYSA-N 0 0 307.353 2.310 10 30 DEEERN C=CCOc1cccc(NC(=O)N[C@@H](C(=O)NC)C(C)C)c1 ZINC000178928763 402556243 /nfs/dbraw/zinc/55/62/43/402556243.db2.gz FJLVWRAAPTVDCN-CQSZACIVSA-N 0 0 305.378 2.144 10 30 DEEERN Cc1cccc(S(=O)(=O)NC[C@@H]2CCC(C)(C)O2)c1C#N ZINC000188739567 402524911 /nfs/dbraw/zinc/52/49/11/402524911.db2.gz KKTMHKKAKMYTOI-LBPRGKRZSA-N 0 0 308.403 2.103 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178681642 402525791 /nfs/dbraw/zinc/52/57/91/402525791.db2.gz XYURATNECAVMQA-XZOAIXRZSA-N 0 0 322.364 2.100 10 30 DEEERN C[C@@H]1C(=O)NCCCN1Cc1cccc(OCCCC#N)c1 ZINC000189071305 402531004 /nfs/dbraw/zinc/53/10/04/402531004.db2.gz UABIPKCMRLFJPS-CQSZACIVSA-N 0 0 301.390 2.080 10 30 DEEERN N#Cc1ccsc1C(=O)N1Cc2cnnn2Cc2ccccc21 ZINC000189300286 402534068 /nfs/dbraw/zinc/53/40/68/402534068.db2.gz CYTZJUBEBPQXSO-UHFFFAOYSA-N 0 0 321.365 2.420 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000171579768 402596850 /nfs/dbraw/zinc/59/68/50/402596850.db2.gz RNGJXYLABPIBBT-CQSZACIVSA-N 0 0 312.373 2.320 10 30 DEEERN COc1cc(OC)c(NC(=O)Cn2ccnc2C#N)cc1Cl ZINC000179877329 402602740 /nfs/dbraw/zinc/60/27/40/402602740.db2.gz NLKYKGATEKBWTI-UHFFFAOYSA-N 0 0 320.736 2.064 10 30 DEEERN C[C@H](NCc1cnc2ccc(C#N)cn12)C(=O)OC(C)(C)C ZINC000180033876 402605541 /nfs/dbraw/zinc/60/55/41/402605541.db2.gz HCYYZMDGDBJMIB-NSHDSACASA-N 0 0 300.362 2.026 10 30 DEEERN CCCN(CC(=O)OC)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180149778 402608191 /nfs/dbraw/zinc/60/81/91/402608191.db2.gz UAYYWTGYCNGFMH-UHFFFAOYSA-N 0 0 300.358 2.267 10 30 DEEERN C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)NC(C)(C)C ZINC000180163080 402608874 /nfs/dbraw/zinc/60/88/74/402608874.db2.gz TVFVUSVRMRTYIW-LBPRGKRZSA-N 0 0 313.401 2.275 10 30 DEEERN Cc1sc(NC(=O)CN2[C@H](C)C[C@@H](O)C[C@@H]2C)c(C#N)c1C ZINC000248990515 402617189 /nfs/dbraw/zinc/61/71/89/402617189.db2.gz FSAMPOGPNQBSNJ-DDFAGTSDSA-N 0 0 321.446 2.409 10 30 DEEERN CCn1cc([C@@H]2CN(Cc3cc(F)ccc3C#N)CCO2)cn1 ZINC000190816432 402624302 /nfs/dbraw/zinc/62/43/02/402624302.db2.gz AXXMWQAFHGMNII-KRWDZBQOSA-N 0 0 314.364 2.487 10 30 DEEERN N#CC1(c2ccc(C(=O)NCCCO[C@H]3CCOC3)cc2)CC1 ZINC000181552575 402649922 /nfs/dbraw/zinc/64/99/22/402649922.db2.gz VHHQZOZCXZUBKT-INIZCTEOSA-N 0 0 314.385 2.167 10 30 DEEERN COC1(CNC(=O)c2ccc(C3(C#N)CC3)cc2)CCOCC1 ZINC000181575949 402650196 /nfs/dbraw/zinc/65/01/96/402650196.db2.gz FKCSQTAEDFAQDT-UHFFFAOYSA-N 0 0 314.385 2.167 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCOc1ccc(C#N)cc1 ZINC000191228919 402653150 /nfs/dbraw/zinc/65/31/50/402653150.db2.gz MXPKXDWAPXCPOJ-OIISXLGYSA-N 0 0 314.385 2.211 10 30 DEEERN CC(C)(C)C[C@@H](O)CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000173798526 402713038 /nfs/dbraw/zinc/71/30/38/402713038.db2.gz CONHDAQVIXOHAI-CQSZACIVSA-N 0 0 319.405 2.033 10 30 DEEERN N#CC1(c2ccc(C(=O)N3CCC[C@@H]3C(=O)NC3CC3)cc2)CC1 ZINC000182753608 402714187 /nfs/dbraw/zinc/71/41/87/402714187.db2.gz WRYMXDNTMDEOAT-MRXNPFEDSA-N 0 0 323.396 2.125 10 30 DEEERN CCc1cc(NC(=O)NCCOc2ccc(C#N)cc2)n(C)n1 ZINC000173208402 402688113 /nfs/dbraw/zinc/68/81/13/402688113.db2.gz GGVFTYMZBODYGX-UHFFFAOYSA-N 0 0 313.361 2.055 10 30 DEEERN Cc1nnc([C@@H](NC(=O)C#Cc2ccccc2)c2ccccc2)[nH]1 ZINC000175114933 402780216 /nfs/dbraw/zinc/78/02/16/402780216.db2.gz BTUJKYCVUGYSLH-SFHVURJKSA-N 0 0 316.364 2.370 10 30 DEEERN C#CCSCCNC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000174283161 402735025 /nfs/dbraw/zinc/73/50/25/402735025.db2.gz UEQMFSFRZHGOST-KGLIPLIRSA-N 0 0 306.435 2.032 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1c(C)cccc1C(C)C ZINC000183193387 402746256 /nfs/dbraw/zinc/74/62/56/402746256.db2.gz NCDJYYNGTRRHBW-ZDUSSCGKSA-N 0 0 304.390 2.110 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1cccc(Br)c1 ZINC000183253819 402750926 /nfs/dbraw/zinc/75/09/26/402750926.db2.gz ODZFFOWYNBIAIT-GFCCVEGCSA-N 0 0 313.195 2.185 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000183552309 402775714 /nfs/dbraw/zinc/77/57/14/402775714.db2.gz JDQRWLOMWJXPTL-AWEZNQCLSA-N 0 0 305.378 2.340 10 30 DEEERN C[C@@H](NCc1ccccc1C#N)c1ccc(S(N)(=O)=O)cc1 ZINC000182856610 402722094 /nfs/dbraw/zinc/72/20/94/402722094.db2.gz ZRCOCMMKDQTAPY-GFCCVEGCSA-N 0 0 315.398 2.056 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCc1cccc(OCCC)c1 ZINC000183769925 402796381 /nfs/dbraw/zinc/79/63/81/402796381.db2.gz SQOZTVZARHYPFU-OAHLLOKOSA-N 0 0 306.406 2.254 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(OC)ccc1OC(F)F ZINC000183869666 402802290 /nfs/dbraw/zinc/80/22/90/402802290.db2.gz NOAYKARTJLIDBJ-VIFPVBQESA-N 0 0 316.304 2.355 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000183904980 402804130 /nfs/dbraw/zinc/80/41/30/402804130.db2.gz DZLXQZDGBHNVCL-XQQFMLRXSA-N 0 0 309.410 2.488 10 30 DEEERN N#C[C@]1(NC(=O)c2ncncc2Cl)CCc2ccccc2C1 ZINC000183950863 402807631 /nfs/dbraw/zinc/80/76/31/402807631.db2.gz BAFVSMHMCJBEGO-INIZCTEOSA-N 0 0 312.760 2.311 10 30 DEEERN CN(Cc1nc2c(s1)CCCC2)S(=O)(=O)CCCC#N ZINC000175472171 402809417 /nfs/dbraw/zinc/80/94/17/402809417.db2.gz RKVNLGWCAXJVOZ-UHFFFAOYSA-N 0 0 313.448 2.087 10 30 DEEERN CCN1CCc2nc(NC(=O)c3ccnc(C#N)c3)sc2C1 ZINC000195084195 402830497 /nfs/dbraw/zinc/83/04/97/402830497.db2.gz QICJXUZGYSPTIV-UHFFFAOYSA-N 0 0 313.386 2.040 10 30 DEEERN C=CCCCN(C)C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000183643538 402784861 /nfs/dbraw/zinc/78/48/61/402784861.db2.gz JHUYGXKXBWITQN-UHFFFAOYSA-N 0 0 319.361 2.058 10 30 DEEERN C=C1CCN(C(=O)Cc2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000264511510 402885639 /nfs/dbraw/zinc/88/56/39/402885639.db2.gz SLSKWRZBQSNIIJ-UHFFFAOYSA-N 0 0 307.415 2.201 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@H](C(=O)OC)c1cccc(O)c1 ZINC000271949488 402886947 /nfs/dbraw/zinc/88/69/47/402886947.db2.gz SZNHRYSPUQKUGJ-HNNXBMFYSA-N 0 0 303.358 2.491 10 30 DEEERN C#CCOc1cccc(NC(=O)C(=O)N[C@H](C)C2CCCC2)c1 ZINC000265117583 402895435 /nfs/dbraw/zinc/89/54/35/402895435.db2.gz ULOAYNZDCFEGDF-CYBMUJFWSA-N 0 0 314.385 2.332 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000279447036 402944111 /nfs/dbraw/zinc/94/41/11/402944111.db2.gz DVGYOKXIXXDMBV-AWEZNQCLSA-N 0 0 308.447 2.279 10 30 DEEERN CC(=O)c1ccc(C#N)c(N2CCO[C@](C)(c3cnn(C)c3)C2)c1 ZINC000272510703 402946335 /nfs/dbraw/zinc/94/63/35/402946335.db2.gz MNHOKAZMPZYILJ-SFHVURJKSA-N 0 0 324.384 2.246 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccccc1S[C@H](C)C(=O)OC ZINC000273464282 403006609 /nfs/dbraw/zinc/00/66/09/403006609.db2.gz DLFVVCSCRZVHCQ-VXGBXAGGSA-N 0 0 323.414 2.007 10 30 DEEERN Cc1nc(C(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)ccc1C#N ZINC000273615965 403020178 /nfs/dbraw/zinc/02/01/78/403020178.db2.gz QGSLSXNPWMHTPP-ZFWWWQNUSA-N 0 0 301.390 2.131 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000274341914 403046376 /nfs/dbraw/zinc/04/63/76/403046376.db2.gz MKVJAWCDWJSDGZ-AWEZNQCLSA-N 0 0 315.417 2.036 10 30 DEEERN C=CCN1CC[C@H](N(C)Cc2ncc(C(F)(F)F)s2)C1=O ZINC000281111546 403058836 /nfs/dbraw/zinc/05/88/36/403058836.db2.gz BGJCAFOYJNLIEQ-VIFPVBQESA-N 0 0 319.352 2.381 10 30 DEEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc2nc(C)cn2c1 ZINC000281478358 403069309 /nfs/dbraw/zinc/06/93/09/403069309.db2.gz OYHUKMCPKZKBNA-LBPRGKRZSA-N 0 0 300.362 2.052 10 30 DEEERN C=CCCCCNC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000274703321 403079922 /nfs/dbraw/zinc/07/99/22/403079922.db2.gz YYCIDWSMMFGTHR-HUUCEWRRSA-N 0 0 322.405 2.470 10 30 DEEERN C=CCOc1ccc(C(=O)N(C)CC2(CO)CC2)cc1OC ZINC000275914779 403132570 /nfs/dbraw/zinc/13/25/70/403132570.db2.gz UIJCSFHATHLXPF-UHFFFAOYSA-N 0 0 305.374 2.105 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC000282410937 403151347 /nfs/dbraw/zinc/15/13/47/403151347.db2.gz XFKWMRLNVNGLAS-MCIONIFRSA-N 0 0 306.410 2.034 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC000282410927 403151355 /nfs/dbraw/zinc/15/13/55/403151355.db2.gz XFKWMRLNVNGLAS-HZSPNIEDSA-N 0 0 306.410 2.034 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N(C)Cc1cnccn1 ZINC000282425864 403152807 /nfs/dbraw/zinc/15/28/07/403152807.db2.gz YHEDZIFIUWKBHM-UHFFFAOYSA-N 0 0 300.410 2.479 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(=C)CC1 ZINC000283331547 403190278 /nfs/dbraw/zinc/19/02/78/403190278.db2.gz QVMLNIOKYMOKPM-AWEZNQCLSA-N 0 0 304.394 2.099 10 30 DEEERN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc(C#N)ccn1 ZINC000285432497 403294839 /nfs/dbraw/zinc/29/48/39/403294839.db2.gz OZMLAEBMCSOVBT-HFTRVMKXSA-N 0 0 313.401 2.499 10 30 DEEERN C=CC[C@@H]1N(C(=O)N[C@@H](C)Cn2cncn2)CCCC1(C)C ZINC000277755921 403253575 /nfs/dbraw/zinc/25/35/75/403253575.db2.gz QPWTVBHAPHMOMR-KBPBESRZSA-N 0 0 305.426 2.443 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC000293118110 403391897 /nfs/dbraw/zinc/39/18/97/403391897.db2.gz DCWPWPYKFSBGGR-HNNXBMFYSA-N 0 0 310.401 2.398 10 30 DEEERN C#CCO[C@@H](C)C(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000298727264 403449363 /nfs/dbraw/zinc/44/93/63/403449363.db2.gz SIGLKPSSQYDVCD-ZVZYQTTQSA-N 0 0 312.413 2.168 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293387433 403459384 /nfs/dbraw/zinc/45/93/84/403459384.db2.gz DNUQMVHMEWMZHK-QMMMGPOBSA-N 0 0 318.251 2.280 10 30 DEEERN C=C(C)COc1cccc(NC(=O)C(=O)NCC[C@H](C)F)c1 ZINC000343172682 403487109 /nfs/dbraw/zinc/48/71/09/403487109.db2.gz VDTUFOXMDQYNSU-LBPRGKRZSA-N 0 0 308.353 2.444 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](CC)c1nc(C)cs1 ZINC000286485419 403532504 /nfs/dbraw/zinc/53/25/04/403532504.db2.gz JPANENNHRKAAGZ-LBPRGKRZSA-N 0 0 309.435 2.443 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccccc1CN1CCCC1=O ZINC000287166429 403556042 /nfs/dbraw/zinc/55/60/42/403556042.db2.gz OHYMHDAIFBOSRM-UHFFFAOYSA-N 0 0 322.408 2.088 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCc2ccc(OC)cc2C1 ZINC000298983876 403496193 /nfs/dbraw/zinc/49/61/93/403496193.db2.gz GKUJKWMITNRFBL-UHFFFAOYSA-N 0 0 316.401 2.005 10 30 DEEERN C=CC1CCN(C(=O)[C@H]2CSCN2C(=O)[C@H](C)CC)CC1 ZINC000346861861 403605024 /nfs/dbraw/zinc/60/50/24/403605024.db2.gz YTUNSQZIQZPYIJ-TZMCWYRMSA-N 0 0 310.463 2.359 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[C@H](O)CC1 ZINC000287403771 403592088 /nfs/dbraw/zinc/59/20/88/403592088.db2.gz OCEWWJFTKLADLW-ULQDDVLXSA-N 0 0 300.402 2.224 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000287241526 403558250 /nfs/dbraw/zinc/55/82/50/403558250.db2.gz BXRQYOVESJFJMI-MRXNPFEDSA-N 0 0 323.314 2.216 10 30 DEEERN C=C(C)CCc1noc(-c2cccc(S(N)(=O)=O)c2C)n1 ZINC000347201612 403621683 /nfs/dbraw/zinc/62/16/83/403621683.db2.gz ADAXFEIHKHHOTR-UHFFFAOYSA-N 0 0 307.375 2.201 10 30 DEEERN CC(C)C(=O)N[C@@H]1CCCN(c2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000302221632 403708793 /nfs/dbraw/zinc/70/87/93/403708793.db2.gz SKADIAFPYZAOMA-CYBMUJFWSA-N 0 0 316.361 2.207 10 30 DEEERN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1ccc(C#N)nn1 ZINC000302388109 403710525 /nfs/dbraw/zinc/71/05/25/403710525.db2.gz BGRSIPYDELAWBO-DGCLKSJQSA-N 0 0 317.393 2.406 10 30 DEEERN N#Cc1ccc(N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cn1 ZINC000302720117 403715284 /nfs/dbraw/zinc/71/52/84/403715284.db2.gz KXXHAWVPQNNCKS-INIZCTEOSA-N 0 0 310.332 2.305 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000288083555 403721438 /nfs/dbraw/zinc/72/14/38/403721438.db2.gz HJBZXRSXUFWVGF-BZSNNMDCSA-N 0 0 314.429 2.471 10 30 DEEERN N#Cc1nc(NCc2ccc(OC(F)F)cn2)ccc1[N+](=O)[O-] ZINC000302805216 403728388 /nfs/dbraw/zinc/72/83/88/403728388.db2.gz FMMGFNJWQSQMGT-UHFFFAOYSA-N 0 0 321.243 2.470 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCc1cc(F)ccc1F ZINC000347533082 403744638 /nfs/dbraw/zinc/74/46/38/403744638.db2.gz CQFNAGZFIOQMQK-UHFFFAOYSA-N 0 0 310.344 2.048 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccncc1OCC(F)(F)F ZINC000288314783 403745317 /nfs/dbraw/zinc/74/53/17/403745317.db2.gz XDQCNRRGKKGNTP-UHFFFAOYSA-N 0 0 324.302 2.302 10 30 DEEERN C=CCN1CC[C@@H](Sc2n[nH]c(-c3ccccc3)n2)C1=O ZINC000347659399 403795142 /nfs/dbraw/zinc/79/51/42/403795142.db2.gz AIGLXRUXJJWLQX-GFCCVEGCSA-N 0 0 300.387 2.351 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000347749955 403843089 /nfs/dbraw/zinc/84/30/89/403843089.db2.gz JAEORWOZCVJMSF-GXTWGEPZSA-N 0 0 308.353 2.276 10 30 DEEERN C=C(C)CN(CC)C(=O)CSCc1nnnn1C(C)(C)C ZINC000361914133 403909854 /nfs/dbraw/zinc/90/98/54/403909854.db2.gz NNMPVLLOMIZSLO-UHFFFAOYSA-N 0 0 311.455 2.086 10 30 DEEERN C=C(C)CN(Cc1ccccc1)C(=O)c1cc(C(N)=O)cn1C ZINC000347877109 403924497 /nfs/dbraw/zinc/92/44/97/403924497.db2.gz FOEXASUZUBWWGM-UHFFFAOYSA-N 0 0 311.385 2.343 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000341430090 403966062 /nfs/dbraw/zinc/96/60/62/403966062.db2.gz ILYLMSDNWHBLMD-JKSUJKDBSA-N 0 0 309.454 2.237 10 30 DEEERN CC(C)(C)[C@H](C#N)NC(=O)CCc1nc2ccccc2oc1=O ZINC000362341420 403946065 /nfs/dbraw/zinc/94/60/65/403946065.db2.gz HGFQDEGWKRIHDO-AWEZNQCLSA-N 0 0 313.357 2.175 10 30 DEEERN C=C[C@@H](C)NC(=O)N[C@H](c1nccn1C)c1ccc(OC)cc1 ZINC000362370304 403948494 /nfs/dbraw/zinc/94/84/94/403948494.db2.gz KKZGRCQFVJFXPQ-DOMZBBRYSA-N 0 0 314.389 2.392 10 30 DEEERN C=CCn1c(CC(C)C)nnc1N1CCc2cc[nH]c(=O)c2C1 ZINC000289538571 403983065 /nfs/dbraw/zinc/98/30/65/403983065.db2.gz DMRQRTXEJLMRDU-UHFFFAOYSA-N 0 0 313.405 2.326 10 30 DEEERN C[C@@H]1CC[C@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[C@@H](C)C1 ZINC000369287473 404034665 /nfs/dbraw/zinc/03/46/65/404034665.db2.gz HUODBARDVPVCCN-VRKREXBASA-N 0 0 304.438 2.193 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000290062649 404025147 /nfs/dbraw/zinc/02/51/47/404025147.db2.gz KLSFDSUAGMUQQN-TZMCWYRMSA-N 0 0 316.317 2.412 10 30 DEEERN C=CCOc1ccc(C(=O)NCc2nnc(CC)o2)cc1OC ZINC000348658397 404088693 /nfs/dbraw/zinc/08/86/93/404088693.db2.gz HEQNSGNCFSBVHE-UHFFFAOYSA-N 0 0 317.345 2.135 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)[C@@H]3CCCS3)C2)n1 ZINC000328608940 404113543 /nfs/dbraw/zinc/11/35/43/404113543.db2.gz BTAPGTIWMAVDIR-NEPJUHHUSA-N 0 0 308.407 2.160 10 30 DEEERN Cc1c([C@H]2OCC[C@@H]2C(=O)NCCc2cscn2)cnn1C ZINC000328610819 404114005 /nfs/dbraw/zinc/11/40/05/404114005.db2.gz JEXXGNJSXNACSL-JSGCOSHPSA-N 0 0 320.418 2.462 10 30 DEEERN COc1ccc(CN2CC[C@@H](n3ccc(NC(C)=O)n3)C2)cn1 ZINC000328619310 404115289 /nfs/dbraw/zinc/11/52/89/404115289.db2.gz FSGFWEYOLGEFOK-CQSZACIVSA-N 0 0 315.377 2.342 10 30 DEEERN Cc1nc(CNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)cs1 ZINC000328623475 404116575 /nfs/dbraw/zinc/11/65/75/404116575.db2.gz JFBBQYDHZXXCGH-QWHCGFSZSA-N 0 0 306.391 2.419 10 30 DEEERN CCCc1noc(CN2CC[C@@H](n3ccc(NC(C)=O)n3)C2)n1 ZINC000328638455 404122313 /nfs/dbraw/zinc/12/23/13/404122313.db2.gz WKHPDHOQQPLFTI-GFCCVEGCSA-N 0 0 318.381 2.274 10 30 DEEERN CCCc1nc(CN2CC[C@H](n3ccc(NC(C)=O)n3)C2)no1 ZINC000328643366 404122868 /nfs/dbraw/zinc/12/28/68/404122868.db2.gz YUXYOKQUAUNAGA-LBPRGKRZSA-N 0 0 318.381 2.274 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)COC[C@@H]1CCOC1)CCC2 ZINC000328694585 404132109 /nfs/dbraw/zinc/13/21/09/404132109.db2.gz CWXLZRAIZVGBGK-KGLIPLIRSA-N 0 0 307.394 2.079 10 30 DEEERN CCC[C@@H]1C[C@@H]1NC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000328701775 404134348 /nfs/dbraw/zinc/13/43/48/404134348.db2.gz NLSACQITFOXTSN-CBBWQLFWSA-N 0 0 310.438 2.246 10 30 DEEERN C=CCn1c(CC(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC000290328146 404126661 /nfs/dbraw/zinc/12/66/61/404126661.db2.gz IOFVOUJYJICCLU-CQSZACIVSA-N 0 0 315.425 2.096 10 30 DEEERN C[C@H]([C@H](C)NC(=O)C[C@@H]1CCCCC(=O)N1)N1CCOCC1 ZINC000328667378 404126848 /nfs/dbraw/zinc/12/68/48/404126848.db2.gz KUUCGNNQJIZBMP-MJBXVCDLSA-N 0 0 311.426 2.341 10 30 DEEERN Cc1cc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1F ZINC000363407432 404159875 /nfs/dbraw/zinc/15/98/75/404159875.db2.gz XSKDEMFVPSBHQN-CQSZACIVSA-N 0 0 302.353 2.338 10 30 DEEERN C#CCOc1ccc(CNC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000296247494 404161345 /nfs/dbraw/zinc/16/13/45/404161345.db2.gz HCZHCUZADMPILM-KBPBESRZSA-N 0 0 302.374 2.017 10 30 DEEERN Cc1cc(N2CCN(C3CC3)[C@@H](C#N)C2)nc(-c2ccccn2)n1 ZINC000363519922 404173230 /nfs/dbraw/zinc/17/32/30/404173230.db2.gz MQUQMTKDTKBENP-HNNXBMFYSA-N 0 0 320.400 2.024 10 30 DEEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000329020913 404203614 /nfs/dbraw/zinc/20/36/14/404203614.db2.gz HTWQWLDTPOVSTB-JHJVBQTASA-N 0 0 307.394 2.412 10 30 DEEERN CC(=O)N1CCC[C@@](O)(C(=O)NCc2ccc(C3CC3)cc2)C1 ZINC000329165770 404250213 /nfs/dbraw/zinc/25/02/13/404250213.db2.gz HJQXIBGFSBOLKU-SFHVURJKSA-N 0 0 316.401 2.394 10 30 DEEERN C=CCCCN(C)C(=O)Nc1cccc(C(=O)NCCOC)c1 ZINC000352289508 404270110 /nfs/dbraw/zinc/27/01/10/404270110.db2.gz JKROXYHPSVHASI-UHFFFAOYSA-N 0 0 319.405 2.493 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@H]1c1ccccc1 ZINC000329486920 404351930 /nfs/dbraw/zinc/35/19/30/404351930.db2.gz RGVAPOORHMZTFV-NUJGCVRESA-N 0 0 320.396 2.211 10 30 DEEERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329488986 404354341 /nfs/dbraw/zinc/35/43/41/404354341.db2.gz YFVZBMOAEFTOMV-CJNGLKHVSA-N 0 0 315.417 2.477 10 30 DEEERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)NC(C2CCC2)C2CCC2)C1 ZINC000329327229 404303925 /nfs/dbraw/zinc/30/39/25/404303925.db2.gz XBQAMJWSGGOYSZ-STQMWFEESA-N 0 0 309.410 2.494 10 30 DEEERN C#Cc1ccc(CNC(=O)N(C)CCCn2ccnc2C)cc1 ZINC000296566054 404309544 /nfs/dbraw/zinc/30/95/44/404309544.db2.gz DAXIIEZVYRTHOU-UHFFFAOYSA-N 0 0 310.401 2.405 10 30 DEEERN O=C(N[C@@H]1CCCCC[C@H]1O)[C@@H]1COCCN1CC1CCC1 ZINC000329348019 404310603 /nfs/dbraw/zinc/31/06/03/404310603.db2.gz VTUJTSBUMXWJNW-OWCLPIDISA-N 0 0 310.438 2.137 10 30 DEEERN CCC[C@@H]1[C@@H](C)CCCN1C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329535234 404368722 /nfs/dbraw/zinc/36/87/22/404368722.db2.gz ZDJJLUCYHSQOGG-BYNSBNAKSA-N 0 0 321.425 2.033 10 30 DEEERN [O-]C(=[NH+][C@H]1CCc2nc[nH]c2C1)N1CCc2ccsc2C1 ZINC000329542771 404371654 /nfs/dbraw/zinc/37/16/54/404371654.db2.gz FACWLOFJFUJPTF-NSHDSACASA-N 0 0 302.403 2.301 10 30 DEEERN C=CCN1C(=O)c2ccc(-c3nc(CC4CC4)no3)cc2C1=O ZINC000355965203 404382010 /nfs/dbraw/zinc/38/20/10/404382010.db2.gz VHEQFHORDYCKJW-UHFFFAOYSA-N 0 0 309.325 2.471 10 30 DEEERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCCOC1 ZINC000329585980 404384256 /nfs/dbraw/zinc/38/42/56/404384256.db2.gz WPDKVXLVHLHHSF-QJPTWQEYSA-N 0 0 300.424 2.070 10 30 DEEERN C=CCN(C(=O)[C@H]1CCO[C@@H]1C)c1nc(C(=O)OCC)cs1 ZINC000356017804 404386309 /nfs/dbraw/zinc/38/63/09/404386309.db2.gz VVDHFOOBMIRUFG-MNOVXSKESA-N 0 0 324.402 2.264 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N[C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000356053006 404387943 /nfs/dbraw/zinc/38/79/43/404387943.db2.gz MZCRSHXUQDNHBC-BXUZGUMPSA-N 0 0 322.371 2.093 10 30 DEEERN C=C[C@](C)(O)CC(=O)Nc1cccc(N(C)C(=O)NCC)c1 ZINC000356090101 404391479 /nfs/dbraw/zinc/39/14/79/404391479.db2.gz DNWQRHRSRIVFAP-INIZCTEOSA-N 0 0 305.378 2.118 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@H]1CCN(C(=O)c2cccnc2)C1 ZINC000370522668 404396494 /nfs/dbraw/zinc/39/64/94/404396494.db2.gz MIQYVWZBJPXLIF-INIZCTEOSA-N 0 0 313.401 2.181 10 30 DEEERN CN1CC[C@H](NC(=O)C[C@H]2Sc3ccccc3NC2=O)C1=O ZINC000329652829 404409746 /nfs/dbraw/zinc/40/97/46/404409746.db2.gz DNXAMUVMSPXATM-CMPLNLGQSA-N 0 0 319.386 2.326 10 30 DEEERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000329659859 404413089 /nfs/dbraw/zinc/41/30/89/404413089.db2.gz NWXUHVADQSOOFQ-RLFYNMQTSA-N 0 0 316.401 2.069 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000342173968 404419716 /nfs/dbraw/zinc/41/97/16/404419716.db2.gz CUADPFPTQSJOAH-DVOMOZLQSA-N 0 0 316.401 2.196 10 30 DEEERN C=CCn1c(-c2ccccc2)nnc1N(CC)Cc1cn(C)nn1 ZINC000350622876 404425335 /nfs/dbraw/zinc/42/53/35/404425335.db2.gz HWAOOPRSEWVFBE-UHFFFAOYSA-N 0 0 323.404 2.286 10 30 DEEERN C[C@@H]1C(=O)NCCCN1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000329949757 404503525 /nfs/dbraw/zinc/50/35/25/404503525.db2.gz MAHMPFXZWMLTAE-SNVBAGLBSA-N 0 0 305.334 2.054 10 30 DEEERN C[C@H](C(=O)N[C@@H]1CCCN(c2ccnn2C)C1)C1CCOCC1 ZINC000329949833 404504159 /nfs/dbraw/zinc/50/41/59/404504159.db2.gz LQKRVUXPOFZJTA-DZGCQCFKSA-N 0 0 320.437 2.408 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N1CCc2cc[nH]c(=O)c2C1 ZINC000351070449 404508370 /nfs/dbraw/zinc/50/83/70/404508370.db2.gz ANRQGZQAKCELGA-UHFFFAOYSA-N 0 0 323.356 2.387 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000291786063 404522830 /nfs/dbraw/zinc/52/28/30/404522830.db2.gz PBWDWSIDXFVTCN-UHFFFAOYSA-N 0 0 307.297 2.183 10 30 DEEERN Cc1cccc2[nH]cc(CC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c21 ZINC000370984910 404437074 /nfs/dbraw/zinc/43/70/74/404437074.db2.gz KCUHNIOFSBAWRC-INIZCTEOSA-N 0 0 322.412 2.218 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000342208097 404443707 /nfs/dbraw/zinc/44/37/07/404443707.db2.gz LKSFIXWROJKCCU-LLVKDONJSA-N 0 0 303.337 2.130 10 30 DEEERN C=CCn1c(C(=O)NC(C)C)nnc1N1CCCCC[C@H]1C ZINC000350740864 404457949 /nfs/dbraw/zinc/45/79/49/404457949.db2.gz IUVZOMKQZXQDAZ-CYBMUJFWSA-N 0 0 305.426 2.371 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N(CC)Cc1cn(C)nn1 ZINC000350742549 404458761 /nfs/dbraw/zinc/45/87/61/404458761.db2.gz XJFVINFORWDDKX-UHFFFAOYSA-N 0 0 317.441 2.208 10 30 DEEERN C=C(C)CCSCC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000350767694 404464580 /nfs/dbraw/zinc/46/45/80/404464580.db2.gz NPIXNQAGLAJYHP-UHFFFAOYSA-N 0 0 321.381 2.439 10 30 DEEERN C=CCC1(c2nc(COC[C@H]3CCOC3)no2)CCOCC1 ZINC000351430978 404581362 /nfs/dbraw/zinc/58/13/62/404581362.db2.gz DJYNBOJXHQZUBD-ZDUSSCGKSA-N 0 0 308.378 2.247 10 30 DEEERN C=CC[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)cc(F)c1C ZINC000351471306 404588360 /nfs/dbraw/zinc/58/83/60/404588360.db2.gz IYEVQFKVRNEAKE-VIFPVBQESA-N 0 0 315.366 2.164 10 30 DEEERN C[C@H]1OCC[C@H]1NC(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000330222145 404591251 /nfs/dbraw/zinc/59/12/51/404591251.db2.gz RNSZWFGCKCHEQJ-FRRDWIJNSA-N 0 0 314.451 2.112 10 30 DEEERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 ZINC000330033821 404532967 /nfs/dbraw/zinc/53/29/67/404532967.db2.gz ANDPUSXRAQEFAQ-PBOSXPJTSA-N 0 0 318.421 2.473 10 30 DEEERN C=CCCOCCNC(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000364930909 404545351 /nfs/dbraw/zinc/54/53/51/404545351.db2.gz QHOVPXLYHKKDLX-HNNXBMFYSA-N 0 0 320.437 2.213 10 30 DEEERN Cc1nccc(NC(=O)NC2CCN(c3ccccn3)CC2)n1 ZINC000330140370 404563394 /nfs/dbraw/zinc/56/33/94/404563394.db2.gz WXKHRPHQUHIFEF-UHFFFAOYSA-N 0 0 312.377 2.175 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)Cc1cccc(N(C)C)c1 ZINC000297652340 404580469 /nfs/dbraw/zinc/58/04/69/404580469.db2.gz FDAWICJDCWBABC-UHFFFAOYSA-N 0 0 317.433 2.136 10 30 DEEERN C#CCOc1cccc(-c2noc(-c3c(C)nnn3CC)n2)c1 ZINC000297750530 404611044 /nfs/dbraw/zinc/61/10/44/404611044.db2.gz OIGLYBWAZHHJIX-UHFFFAOYSA-N 0 0 309.329 2.335 10 30 DEEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)NC[C@@]2(C)CCOC2)cn1 ZINC000330349197 404633316 /nfs/dbraw/zinc/63/33/16/404633316.db2.gz JOEBRPCOBYTKQA-SQWLQELKSA-N 0 0 307.394 2.364 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N1CCO[C@@H](CF)C1 ZINC000414532971 404669189 /nfs/dbraw/zinc/66/91/89/404669189.db2.gz VEAQLEZWVQYADC-AWEZNQCLSA-N 0 0 320.368 2.017 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1cccc(OCC(=O)NC)c1 ZINC000356814536 404698733 /nfs/dbraw/zinc/69/87/33/404698733.db2.gz OHISEWHYGDOUSD-ZDUSSCGKSA-N 0 0 304.390 2.030 10 30 DEEERN C=CCCCC(=O)N1CCC(NC(=O)c2cccnc2)CC1 ZINC000365836841 404729886 /nfs/dbraw/zinc/72/98/86/404729886.db2.gz JWUXFEMDMUHQTN-UHFFFAOYSA-N 0 0 301.390 2.159 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C(=O)OC)c(OC)c1 ZINC000357975756 404749996 /nfs/dbraw/zinc/74/99/96/404749996.db2.gz JDRUSXWIESZSFE-ZFWWWQNUSA-N 0 0 319.357 2.402 10 30 DEEERN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCc1cn[nH]c1 ZINC000358193625 404756181 /nfs/dbraw/zinc/75/61/81/404756181.db2.gz KBGMAUUPBMOPHI-IRXDYDNUSA-N 0 0 323.400 2.434 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cc(F)cc(C(=O)OC)c1 ZINC000360234589 404823010 /nfs/dbraw/zinc/82/30/10/404823010.db2.gz NOYSABAEMVVSCT-UHFFFAOYSA-N 0 0 315.366 2.199 10 30 DEEERN C=CCOc1ccc(C(=O)NC[C@H](CO)c2cccnc2)cc1 ZINC000360442927 404828104 /nfs/dbraw/zinc/82/81/04/404828104.db2.gz OBZVVMWTODTSGU-MRXNPFEDSA-N 0 0 312.369 2.152 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCCN1CC(F)(F)F ZINC000360580781 404831914 /nfs/dbraw/zinc/83/19/14/404831914.db2.gz JDYSMUDKGISLEH-UPJWGTAASA-N 0 0 320.355 2.111 10 30 DEEERN C=CCNC(=O)c1ccc(N2CC[C@@H](Cc3ccncc3)C2)nc1 ZINC000360691348 404834303 /nfs/dbraw/zinc/83/43/03/404834303.db2.gz LYSKGABNXCSHQL-INIZCTEOSA-N 0 0 322.412 2.461 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)N[C@H](CCOC)COC ZINC000360683067 404834358 /nfs/dbraw/zinc/83/43/58/404834358.db2.gz OGMRRLCHPUWPQZ-MRXNPFEDSA-N 0 0 306.406 2.436 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC[C@H]1COc1cccnc1C ZINC000416671038 404876345 /nfs/dbraw/zinc/87/63/45/404876345.db2.gz MZZMBCIPAUQODH-AWEZNQCLSA-N 0 0 310.419 2.139 10 30 DEEERN CC[C@@](C)(C#N)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000367011734 404897801 /nfs/dbraw/zinc/89/78/01/404897801.db2.gz YOCJOVUDWDBCTP-KRWDZBQOSA-N 0 0 305.422 2.177 10 30 DEEERN CC#CCCCC(=O)N1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000366886137 404863423 /nfs/dbraw/zinc/86/34/23/404863423.db2.gz SNAPBDYRSKKZHU-OAHLLOKOSA-N 0 0 316.401 2.442 10 30 DEEERN C=CCOc1ccc(CN(C)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000353775706 404965690 /nfs/dbraw/zinc/96/56/90/404965690.db2.gz NQBZCUKNTPEAIW-OAHLLOKOSA-N 0 0 309.431 2.118 10 30 DEEERN CC[C@@H](CC#N)NC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000435019701 404951235 /nfs/dbraw/zinc/95/12/35/404951235.db2.gz FXBSNRATQFWMCK-UWVGGRQHSA-N 0 0 320.418 2.015 10 30 DEEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCN(C2CC2)CC1 ZINC000424132462 405017152 /nfs/dbraw/zinc/01/71/52/405017152.db2.gz XZCGEXUAOHTKKC-AWEZNQCLSA-N 0 0 319.478 2.317 10 30 DEEERN COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C#N)ccn1 ZINC000436000819 405034539 /nfs/dbraw/zinc/03/45/39/405034539.db2.gz MQEJXALNOSQEEO-UHFFFAOYSA-N 0 0 319.324 2.400 10 30 DEEERN COC[C@@H](NS(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000435430740 404980257 /nfs/dbraw/zinc/98/02/57/404980257.db2.gz FIMMJMHSCIWDQB-CYBMUJFWSA-N 0 0 322.411 2.286 10 30 DEEERN N#Cc1ccccc1CN1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408036558 405095070 /nfs/dbraw/zinc/09/50/70/405095070.db2.gz UUSJIMOGQQFSSA-KURKYZTESA-N 0 0 300.402 2.310 10 30 DEEERN CC#CCCNC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000361399299 405055249 /nfs/dbraw/zinc/05/52/49/405055249.db2.gz DDMHRYAPGXTVOV-OAHLLOKOSA-N 0 0 315.417 2.234 10 30 DEEERN Cc1c(Cl)cnc(N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c1C#N ZINC000408172637 405130087 /nfs/dbraw/zinc/13/00/87/405130087.db2.gz YWEZPADTZOIVAC-CFVMTHIKSA-N 0 0 321.808 2.281 10 30 DEEERN C=CCC1(C(=O)NC[C@@H]2COc3ccccc3O2)CCOCC1 ZINC000424528351 405110608 /nfs/dbraw/zinc/11/06/08/405110608.db2.gz DZDCDUPDEJETGM-CQSZACIVSA-N 0 0 317.385 2.316 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N1CCOCC[C@H]1C ZINC000367662715 405117214 /nfs/dbraw/zinc/11/72/14/405117214.db2.gz XVJPKWWCIWKXMZ-GFCCVEGCSA-N 0 0 306.337 2.480 10 30 DEEERN N#CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1 ZINC000361533037 405119352 /nfs/dbraw/zinc/11/93/52/405119352.db2.gz JXIPPGWSIIAXMS-CYBMUJFWSA-N 0 0 303.387 2.220 10 30 DEEERN CC(C)(C)[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C[C@@H]1O ZINC000408150060 405125671 /nfs/dbraw/zinc/12/56/71/405125671.db2.gz UBNHSWGRRFEQGD-CABCVRRESA-N 0 0 321.465 2.058 10 30 DEEERN C=CCC1(C(=O)N(CCOC)Cc2cccnc2)CCOCC1 ZINC000424642813 405137114 /nfs/dbraw/zinc/13/71/14/405137114.db2.gz PAABTIJOVMAJIU-UHFFFAOYSA-N 0 0 318.417 2.430 10 30 DEEERN C=CCN(CCOC)S(=O)(=O)c1ccc(Cl)c(OC)c1 ZINC000416473158 405149827 /nfs/dbraw/zinc/14/98/27/405149827.db2.gz VGMKBTNNMAYLDT-UHFFFAOYSA-N 0 0 319.810 2.172 10 30 DEEERN C=CCC1(C(=O)NCC2(SC)CCOCC2)CCOCC1 ZINC000424689134 405150923 /nfs/dbraw/zinc/15/09/23/405150923.db2.gz OREKLLRLAFJLIG-UHFFFAOYSA-N 0 0 313.463 2.388 10 30 DEEERN C=CCCn1cc(C(=O)N2CCO[C@@H](c3cccs3)C2)nn1 ZINC000424730699 405162379 /nfs/dbraw/zinc/16/23/79/405162379.db2.gz OBKNODONHHAWML-CYBMUJFWSA-N 0 0 318.402 2.129 10 30 DEEERN C=CCC1(C(=O)NCCOc2ncccc2F)CCOCC1 ZINC000424742265 405165459 /nfs/dbraw/zinc/16/54/59/405165459.db2.gz VDGLJRJRMKLATG-UHFFFAOYSA-N 0 0 308.353 2.089 10 30 DEEERN C=CCC1(C(=O)N[C@H](C)c2nnc(C(C)C)[nH]2)CCOCC1 ZINC000424743845 405165718 /nfs/dbraw/zinc/16/57/18/405165718.db2.gz HXTARNQBRKKIJT-GFCCVEGCSA-N 0 0 306.410 2.478 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N[C@@H]1CCN(c2ccccc2F)C1 ZINC000452124384 405183937 /nfs/dbraw/zinc/18/39/37/405183937.db2.gz OBBWFJSEQWVTSY-GFCCVEGCSA-N 0 0 312.348 2.045 10 30 DEEERN C=CCC1(C(=O)N2C[C@H](C)[S@@](=O)[C@@H](CC)C2)CCOCC1 ZINC000424830928 405190708 /nfs/dbraw/zinc/19/07/08/405190708.db2.gz HZNNXBZKADBPLA-DGCWBMGLSA-N 0 0 313.463 2.117 10 30 DEEERN C=C(C)C(C)(C)C(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2 ZINC000424853825 405196879 /nfs/dbraw/zinc/19/68/79/405196879.db2.gz MPUJHAVRCFTYJE-UHFFFAOYSA-N 0 0 315.417 2.071 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc2c(cc1OC)OCO2 ZINC000437507005 405202984 /nfs/dbraw/zinc/20/29/84/405202984.db2.gz KEOKZXNKUWDMDM-BDJLRTHQSA-N 0 0 319.357 2.135 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc2c(cc1OC)OCO2 ZINC000437507007 405203099 /nfs/dbraw/zinc/20/30/99/405203099.db2.gz KEOKZXNKUWDMDM-BZNIZROVSA-N 0 0 319.357 2.135 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(NC(C)=O)c1 ZINC000437520158 405204184 /nfs/dbraw/zinc/20/41/84/405204184.db2.gz QAJTYPGANQYTCY-ZBFHGGJFSA-N 0 0 302.374 2.356 10 30 DEEERN C=CCn1cc(CNC(=O)CCCc2ccc(F)c(F)c2)nn1 ZINC000424907201 405210275 /nfs/dbraw/zinc/21/02/75/405210275.db2.gz IEEDXLZZWDUFIA-UHFFFAOYSA-N 0 0 320.343 2.381 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CSCc1c(C)noc1C ZINC000424918460 405212514 /nfs/dbraw/zinc/21/25/14/405212514.db2.gz VGIJOZAZMJFDQT-JSGCOSHPSA-N 0 0 310.419 2.232 10 30 DEEERN C=CCCn1cc(C(=O)N[C@@]2(CO)C[C@H](C)CC(C)(C)C2)nn1 ZINC000424772446 405174205 /nfs/dbraw/zinc/17/42/05/405174205.db2.gz DVZAHHAPDFFNKH-DYVFJYSZSA-N 0 0 320.437 2.161 10 30 DEEERN CCN1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1=O ZINC000408330683 405175142 /nfs/dbraw/zinc/17/51/42/405175142.db2.gz JSELBEFMTVXWGY-UHFFFAOYSA-N 0 0 323.400 2.110 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000437935533 405225306 /nfs/dbraw/zinc/22/53/06/405225306.db2.gz RZFPCKMHSAQKDS-FPCVCCKLSA-N 0 0 324.465 2.406 10 30 DEEERN C=CCNC(=O)NC(=O)[C@H](C)Nc1ccc2c(c1)CCCC2 ZINC000419226205 405230539 /nfs/dbraw/zinc/23/05/39/405230539.db2.gz DDTGGGCPJZYEBY-LBPRGKRZSA-N 0 0 301.390 2.378 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NCC(C)(C)C=C)cc2C1=O ZINC000452775808 405240971 /nfs/dbraw/zinc/24/09/71/405240971.db2.gz JEPSTKPKYLWZHK-UHFFFAOYSA-N 0 0 312.369 2.411 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000425891561 405326724 /nfs/dbraw/zinc/32/67/24/405326724.db2.gz YOHYMGMMPDWVOG-JJXSEGSLSA-N 0 0 322.449 2.025 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000425909042 405328934 /nfs/dbraw/zinc/32/89/34/405328934.db2.gz LTRQVFQNYIRNGL-YXWQFLTLSA-N 0 0 322.449 2.119 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1CCC(C)C ZINC000425908468 405329110 /nfs/dbraw/zinc/32/91/10/405329110.db2.gz IAILVGKYHWQIES-XHSDSOJGSA-N 0 0 322.449 2.121 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](COC)c1ccc(CC)o1 ZINC000425460625 405294041 /nfs/dbraw/zinc/29/40/41/405294041.db2.gz SGXZWNBIIVBGGB-CFVMTHIKSA-N 0 0 322.405 2.420 10 30 DEEERN C=C(CC)CNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000454038239 405294082 /nfs/dbraw/zinc/29/40/82/405294082.db2.gz IECHSWYPHVJROY-UHFFFAOYSA-N 0 0 315.295 2.430 10 30 DEEERN C=C(C)COCCNC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439969316 405298554 /nfs/dbraw/zinc/29/85/54/405298554.db2.gz QRKREUYMZRTHLD-UHFFFAOYSA-N 0 0 303.362 2.138 10 30 DEEERN C=C(C)CCNC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000455304056 405395712 /nfs/dbraw/zinc/39/57/12/405395712.db2.gz BNXYIPHIQKAOAY-OAHLLOKOSA-N 0 0 301.390 2.447 10 30 DEEERN C=C(CC)CNC(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000455523146 405421587 /nfs/dbraw/zinc/42/15/87/405421587.db2.gz NIGKAPUTPKDQGO-MRXNPFEDSA-N 0 0 304.390 2.442 10 30 DEEERN C=CCCCCCN(C)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000429472074 405432251 /nfs/dbraw/zinc/43/22/51/405432251.db2.gz SDOSIAPZUKKAGY-ZNMIVQPWSA-N 0 0 307.438 2.384 10 30 DEEERN C=CCn1c(N2CCOC3(CCC3)C2)nnc1[C@]1(C)CCCO1 ZINC000577580126 405470876 /nfs/dbraw/zinc/47/08/76/405470876.db2.gz JDURMJLTRZDKHJ-INIZCTEOSA-N 0 0 318.421 2.249 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000633317681 405568910 /nfs/dbraw/zinc/56/89/10/405568910.db2.gz JYCRPKLMWLJTKD-YHUYYLMFSA-N 0 0 308.422 2.224 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H](COC)CC1 ZINC000458746984 405569391 /nfs/dbraw/zinc/56/93/91/405569391.db2.gz YOXZFVSQIBCICI-XHSDSOJGSA-N 0 0 310.438 2.426 10 30 DEEERN C=CCCCN(C)C(=O)N[C@H](CC(=O)NC)c1ccccc1 ZINC000431099387 405577583 /nfs/dbraw/zinc/57/75/83/405577583.db2.gz RJMOERIMLVFHKE-OAHLLOKOSA-N 0 0 303.406 2.471 10 30 DEEERN C=CCn1c(C2CCCC2)nnc1N(CC)Cc1cn(C)nn1 ZINC000558450620 405661920 /nfs/dbraw/zinc/66/19/20/405661920.db2.gz IOZRDGHZTFTKPS-UHFFFAOYSA-N 0 0 315.425 2.277 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)S(=O)(=O)Cc1ccccc1 ZINC000558480103 405665942 /nfs/dbraw/zinc/66/59/42/405665942.db2.gz AAQYAUISODTRCJ-AWEZNQCLSA-N 0 0 307.415 2.191 10 30 DEEERN C=C(CC)CNC(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000459082865 405735464 /nfs/dbraw/zinc/73/54/64/405735464.db2.gz SKUUBIPUBZSGRB-HNNXBMFYSA-N 0 0 301.390 2.225 10 30 DEEERN C[C@@H](NC(=O)c1ccc(C#N)n1C)c1ccc([S@@](C)=O)cc1 ZINC000450242149 405796109 /nfs/dbraw/zinc/79/61/09/405796109.db2.gz KTHUZPXQZYFFIQ-RKFFSXRUSA-N 0 0 315.398 2.125 10 30 DEEERN C=CCOCCCNC(=O)c1cc(C(F)(F)F)c[nH]c1=O ZINC000636201089 405811779 /nfs/dbraw/zinc/81/17/79/405811779.db2.gz TZKFRMMRAXMAOM-UHFFFAOYSA-N 0 0 304.268 2.129 10 30 DEEERN COc1cccc(CNC(=O)Cc2cccc(C#N)c2)c1OC ZINC000530670328 405843347 /nfs/dbraw/zinc/84/33/47/405843347.db2.gz BRNLUCDIAPPURS-UHFFFAOYSA-N 0 0 310.353 2.434 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1cn(CC2(CC)COC2)nn1 ZINC000633966055 405933367 /nfs/dbraw/zinc/93/33/67/405933367.db2.gz CTVSCTRZWFTSFP-UHFFFAOYSA-N 0 0 320.437 2.427 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1cnc2sccn2c1=O ZINC000633963749 405933520 /nfs/dbraw/zinc/93/35/20/405933520.db2.gz RWILRTQKWVUHRX-UHFFFAOYSA-N 0 0 305.403 2.478 10 30 DEEERN C=CCCC(C)(C)CNC(=O)CNC(=O)COc1ccccc1 ZINC000633963440 405933538 /nfs/dbraw/zinc/93/35/38/405933538.db2.gz KTIKYKQXFJYGAR-UHFFFAOYSA-N 0 0 318.417 2.290 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000633964282 405933629 /nfs/dbraw/zinc/93/36/29/405933629.db2.gz JGDPYWUQOJAJFZ-UHFFFAOYSA-N 0 0 324.446 2.197 10 30 DEEERN CC[C@@H](C)Oc1cc(CNC(=O)c2ccc(C#N)n2C)ccn1 ZINC000450446582 405901878 /nfs/dbraw/zinc/90/18/78/405901878.db2.gz OYNRRLHJFZADAJ-GFCCVEGCSA-N 0 0 312.373 2.399 10 30 DEEERN COC(=O)[C@H](CNC(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000531153027 405915872 /nfs/dbraw/zinc/91/58/72/405915872.db2.gz WGMYABWGCJESHZ-QGZVFWFLSA-N 0 0 322.364 2.174 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(O)cc1OCC ZINC000613924696 405920383 /nfs/dbraw/zinc/92/03/83/405920383.db2.gz RBVIQHRZJJZPBZ-CQSZACIVSA-N 0 0 306.362 2.200 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-c2nnc(C)o2)cc1 ZINC000566119630 406086022 /nfs/dbraw/zinc/08/60/22/406086022.db2.gz ISVRWOYEFXAVSB-GJZGRUSLSA-N 0 0 313.357 2.366 10 30 DEEERN C=CCn1cc(CNC(=O)N[C@H]2CCCC[C@@H]2C(C)C)nn1 ZINC000566141627 406086446 /nfs/dbraw/zinc/08/64/46/406086446.db2.gz LAMLOGICXKPQEV-CABCVRRESA-N 0 0 305.426 2.478 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@@H]1CCCCS1 ZINC000636860496 406104372 /nfs/dbraw/zinc/10/43/72/406104372.db2.gz VPSABZZMTMAYOO-ZDUSSCGKSA-N 0 0 312.479 2.497 10 30 DEEERN C=CCNC(=O)c1ccc(N2CCC[C@]3(CCOC3)C2)nc1 ZINC000515773158 406078510 /nfs/dbraw/zinc/07/85/10/406078510.db2.gz LHHIGLNJIXAEFE-KRWDZBQOSA-N 0 0 301.390 2.004 10 30 DEEERN C=CCn1c(COCCOC)nnc1N1CCCCC[C@H]1C ZINC000634339032 406106210 /nfs/dbraw/zinc/10/62/10/406106210.db2.gz UXNPPBJXFIQKPX-CQSZACIVSA-N 0 0 308.426 2.396 10 30 DEEERN C=CCn1c(COCCOC)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC000634340010 406106322 /nfs/dbraw/zinc/10/63/22/406106322.db2.gz YCXFPXKNUUHWEI-KBPBESRZSA-N 0 0 308.426 2.252 10 30 DEEERN CC(=O)CN(C(C)C)S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000632378314 406114247 /nfs/dbraw/zinc/11/42/47/406114247.db2.gz PSJCUNCQTGZLPB-UHFFFAOYSA-N 0 0 322.430 2.476 10 30 DEEERN C=CCCOCCNC(=O)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000636983120 406141321 /nfs/dbraw/zinc/14/13/21/406141321.db2.gz DJJHYIWJTPWPKU-OAHLLOKOSA-N 0 0 304.390 2.484 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1scc(Br)c1C ZINC000632446237 406142155 /nfs/dbraw/zinc/14/21/55/406142155.db2.gz ZHAOJROWRVGEIO-QMMMGPOBSA-N 0 0 304.209 2.486 10 30 DEEERN C=CCOCCCNS(=O)(=O)C[C@@H]1CCCC(F)(F)C1 ZINC000632557311 406181513 /nfs/dbraw/zinc/18/15/13/406181513.db2.gz KNKFWCJTZKWJSD-GFCCVEGCSA-N 0 0 311.394 2.324 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CC(COC)(C2CC2)C1 ZINC000637117421 406181528 /nfs/dbraw/zinc/18/15/28/406181528.db2.gz REVGPMSSKJHZOE-UKRRQHHQSA-N 0 0 308.422 2.036 10 30 DEEERN C=CC[C@@H](CC)NC(=O)NC[C@H]1c2ccccc2C(=O)N1C ZINC000637117964 406181637 /nfs/dbraw/zinc/18/16/37/406181637.db2.gz GNGSWTJOEVSFSG-DOMZBBRYSA-N 0 0 301.390 2.467 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(OC)ccc1O ZINC000632572178 406187272 /nfs/dbraw/zinc/18/72/72/406187272.db2.gz OHMONHVWNJUPAT-TXEJJXNPSA-N 0 0 309.387 2.273 10 30 DEEERN C=CCn1c(N2CCO[C@H](C3CC3)C2)nnc1[C@]1(C)CCCO1 ZINC000568190381 406207681 /nfs/dbraw/zinc/20/76/81/406207681.db2.gz FSQDJRQZWDSMGA-YOEHRIQHSA-N 0 0 318.421 2.105 10 30 DEEERN CC(=O)c1cccc(S(=O)(=O)N(C)[C@H]2CCC[C@H]2C#N)c1 ZINC000632665298 406219771 /nfs/dbraw/zinc/21/97/71/406219771.db2.gz LJFMHOJHFSUEJR-ZFWWWQNUSA-N 0 0 306.387 2.202 10 30 DEEERN C=CCNC(=O)c1ccccc1N[C@@H]1CCN(C2CCC2)C1=O ZINC000634562383 406173147 /nfs/dbraw/zinc/17/31/47/406173147.db2.gz RCXLXLDOKCCWJG-MRXNPFEDSA-N 0 0 313.401 2.168 10 30 DEEERN C=CCOCCCNC(=O)N[C@](C)(CO)Cc1ccc(F)cc1 ZINC000637274986 406238752 /nfs/dbraw/zinc/23/87/52/406238752.db2.gz JYEQIRWFBKFKOI-KRWDZBQOSA-N 0 0 324.396 2.011 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCN(c2ccnc(C)n2)CC1 ZINC000637321731 406257400 /nfs/dbraw/zinc/25/74/00/406257400.db2.gz KEIFUCMFAYAXGP-UHFFFAOYSA-N 0 0 317.437 2.219 10 30 DEEERN C=C1CC(C)(C(=O)NCc2nc(CN3CCCCC3)no2)C1 ZINC000632876710 406303804 /nfs/dbraw/zinc/30/38/04/406303804.db2.gz WDRVKCFAISOIRQ-UHFFFAOYSA-N 0 0 304.394 2.028 10 30 DEEERN CC#CC[C@H](CO)NC(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000637439236 406308712 /nfs/dbraw/zinc/30/87/12/406308712.db2.gz FDSQZXMTKFJGSL-UKRRQHHQSA-N 0 0 306.793 2.401 10 30 DEEERN C=CCCCCNC(=O)C(=O)Nc1ccnn1CC1CCC1 ZINC000635104710 406425324 /nfs/dbraw/zinc/42/53/24/406425324.db2.gz COMPPOGFXRFHCA-UHFFFAOYSA-N 0 0 304.394 2.094 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CC[C@H](C)S(=O)(=O)CC1 ZINC000637620206 406368436 /nfs/dbraw/zinc/36/84/36/406368436.db2.gz ABZVEFYPJVHNAX-ZDUSSCGKSA-N 0 0 316.467 2.197 10 30 DEEERN CN1C(=O)CN(C(=O)Cc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000526015713 406534104 /nfs/dbraw/zinc/53/41/04/406534104.db2.gz MNFVLMDIIPNCPR-IBGZPJMESA-N 0 0 319.364 2.100 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCCCC[C@H]1C ZINC000571809102 406569457 /nfs/dbraw/zinc/56/94/57/406569457.db2.gz CWXGDGGZKABVOV-KGLIPLIRSA-N 0 0 306.410 2.321 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(N2CCC2)nc1 ZINC000573296792 406772146 /nfs/dbraw/zinc/77/21/46/406772146.db2.gz UBRBMFUPUWUMET-XJKSGUPXSA-N 0 0 301.390 2.003 10 30 DEEERN CCOC(=O)Cc1cc(OC(F)(F)F)c(C=O)cc1C#N ZINC000575390909 406809074 /nfs/dbraw/zinc/80/90/74/406809074.db2.gz JAOSHHKLMSHQLE-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN CCOC(=O)Cc1c(OC(F)F)ccc([N+](=O)[O-])c1C#N ZINC000575388596 406809184 /nfs/dbraw/zinc/80/91/84/406809184.db2.gz ZJDZWLTXCBKSFA-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN N#CCOc1noc2ccc(I)cc21 ZINC000575422471 406809892 /nfs/dbraw/zinc/80/98/92/406809892.db2.gz MSAPSNDAPWNDBW-UHFFFAOYSA-N 0 0 300.055 2.335 10 30 DEEERN CCOc1ccc(I)c(CC#N)c1N ZINC000575718418 406823638 /nfs/dbraw/zinc/82/36/38/406823638.db2.gz SDZZPXQIISGEIP-UHFFFAOYSA-N 0 0 302.115 2.338 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000576032992 406828278 /nfs/dbraw/zinc/82/82/78/406828278.db2.gz FEYVBMLXOKRFDQ-IMJJTQAJSA-N 0 0 318.421 2.248 10 30 DEEERN CCOCc1nnc(N(C)C[C@H](C)C#N)n1Cc1ccccc1 ZINC000555151688 406834314 /nfs/dbraw/zinc/83/43/14/406834314.db2.gz BVYAIPNUCZPLKR-CQSZACIVSA-N 0 0 313.405 2.459 10 30 DEEERN C=CCCCCCNC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC000577125013 406835478 /nfs/dbraw/zinc/83/54/78/406835478.db2.gz WKHDROWUQAHMRY-KGLIPLIRSA-N 0 0 314.451 2.094 10 30 DEEERN Cc1cc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)c(C#N)cn1 ZINC000571160239 292529801 /nfs/dbraw/zinc/52/98/01/292529801.db2.gz NEDKIWHYJKVKSR-AWEZNQCLSA-N 0 0 313.361 2.346 10 30 DEEERN C=CC[C@H](C)NC(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000129217529 196030117 /nfs/dbraw/zinc/03/01/17/196030117.db2.gz RLEVKZZLKOCSGF-QWHCGFSZSA-N 0 0 314.389 2.049 10 30 DEEERN COc1cc(C#N)ccc1Oc1nc(N)ncc1Br ZINC000129378587 196043314 /nfs/dbraw/zinc/04/33/14/196043314.db2.gz HMYKJOMOBIFDGR-UHFFFAOYSA-N 0 0 321.134 2.494 10 30 DEEERN C[C@H](CC#N)N(C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000129665250 196065937 /nfs/dbraw/zinc/06/59/37/196065937.db2.gz KFYFUYWZWNRVTG-SECBINFHSA-N 0 0 302.403 2.207 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000130550834 196089541 /nfs/dbraw/zinc/08/95/41/196089541.db2.gz NEORXOASXJLXBO-UHFFFAOYSA-N 0 0 305.334 2.266 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000131688018 196191070 /nfs/dbraw/zinc/19/10/70/196191070.db2.gz BWNKMWKNCHBKGK-LLVKDONJSA-N 0 0 321.343 2.147 10 30 DEEERN C=CCNC(=O)[C@H](C)Nc1ccc(Br)cc1C#N ZINC000132366920 196249796 /nfs/dbraw/zinc/24/97/96/196249796.db2.gz HHJWGFHADDECST-VIFPVBQESA-N 0 0 308.179 2.423 10 30 DEEERN N#Cc1cccc(CNc2nc(N)ncc2Br)c1 ZINC000132606321 196269854 /nfs/dbraw/zinc/26/98/54/196269854.db2.gz DDZRXNOZHVITCG-UHFFFAOYSA-N 0 0 304.151 2.305 10 30 DEEERN O=C1CN(CC#Cc2ccc(Cl)cc2)[C@H]2CCCC[C@H]2N1 ZINC000133160259 196317633 /nfs/dbraw/zinc/31/76/33/196317633.db2.gz KWXLBASYSDPPEO-CVEARBPZSA-N 0 0 302.805 2.435 10 30 DEEERN CS(=O)(=O)CCn1nc(C2CCCC2)c(C#N)c1Cl ZINC000134264826 196374788 /nfs/dbraw/zinc/37/47/88/196374788.db2.gz YMLUGJSVBGSUBX-UHFFFAOYSA-N 0 0 301.799 2.110 10 30 DEEERN CN[C@](C)(C#N)COc1cccc([N+](=O)[O-])c1Br ZINC000135177532 196450311 /nfs/dbraw/zinc/45/03/11/196450311.db2.gz IOBBOYJLOULTBC-LLVKDONJSA-N 0 0 314.139 2.238 10 30 DEEERN C[C@H]1CC[C@H](C)N(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1 ZINC000136484370 196538935 /nfs/dbraw/zinc/53/89/35/196538935.db2.gz SONWVWXMXZSGNU-QWRGUYRKSA-N 0 0 303.337 2.283 10 30 DEEERN C=C(C)COc1cccc(NC(=O)c2cc(C(N)=O)cn2C)c1 ZINC000151101271 196630210 /nfs/dbraw/zinc/63/02/10/196630210.db2.gz NVUSWHUZRIHZEF-UHFFFAOYSA-N 0 0 313.357 2.331 10 30 DEEERN COc1cc(C)c(S(=O)(=O)N(CC#N)CC#N)cc1C(C)C ZINC000193718088 225165316 /nfs/dbraw/zinc/16/53/16/225165316.db2.gz IYGDPKZLJULCOQ-UHFFFAOYSA-N 0 0 321.402 2.165 10 30 DEEERN Cc1ccc([C@@H](O)CNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)o1 ZINC000328634812 225776840 /nfs/dbraw/zinc/77/68/40/225776840.db2.gz UGMBMOSDKDJBAW-KCQAQPDRSA-N 0 0 319.361 2.089 10 30 DEEERN C[C@@H]1CC(CNC(=O)N2CC[C@]3(CNC(=O)C3)C2)C[C@@H](C)O1 ZINC000329799096 225930633 /nfs/dbraw/zinc/93/06/33/225930633.db2.gz HCVAIVLHUUNTGM-HSMVNMDESA-N 0 0 309.410 2.156 10 30 DEEERN N#C[C@@H]1CN(Cc2cnn(Cc3ccccc3)c2)CCN1C1CC1 ZINC000362119031 226883583 /nfs/dbraw/zinc/88/35/83/226883583.db2.gz RDXZBTDSMWEVEU-LJQANCHMSA-N 0 0 321.428 2.104 10 30 DEEERN N#C[C@H]1CN(C(=O)C2(c3ccccc3)CC(F)(F)C2)CCO1 ZINC000368147326 227003882 /nfs/dbraw/zinc/00/38/82/227003882.db2.gz HOWJTOWBDQXQQX-ZDUSSCGKSA-N 0 0 306.312 2.104 10 30 DEEERN N#C[C@@H]1CN(C(=O)NC[C@@H]2CCc3ccccc32)CCN1C1CC1 ZINC000369220696 227027905 /nfs/dbraw/zinc/02/79/05/227027905.db2.gz UDFDUENOCOPRQP-DOTOQJQBSA-N 0 0 324.428 2.098 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCn2cncc2C1 ZINC000290998372 222061675 /nfs/dbraw/zinc/06/16/75/222061675.db2.gz ARFWFBOBZCGNNH-MRXNPFEDSA-N 0 0 308.385 2.043 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000407996490 227226196 /nfs/dbraw/zinc/22/61/96/227226196.db2.gz FMVARWNKXXWSBX-PELKAZGASA-N 0 0 302.758 2.450 10 30 DEEERN C[C@](O)(CNc1ncc(Br)cc1C#N)C(F)(F)F ZINC000297489957 227239834 /nfs/dbraw/zinc/23/98/34/227239834.db2.gz MIQKVLNBQURQGY-VIFPVBQESA-N 0 0 324.100 2.441 10 30 DEEERN CC1(C#N)CCN(C(=O)Nc2ncn(Cc3ccccc3)n2)CC1 ZINC000540949771 421778766 /nfs/dbraw/zinc/77/87/66/421778766.db2.gz SXKLZVIOMSTYRD-UHFFFAOYSA-N 0 0 324.388 2.484 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCO[C@H](C(F)F)CC2)s1 ZINC000634743044 422607556 /nfs/dbraw/zinc/60/75/56/422607556.db2.gz HOUBVSOUWOIFQW-VIFPVBQESA-N 0 0 317.361 2.237 10 30 DEEERN Cc1c(Cl)cnc(NC[C@H](C)N2CCCCC2=O)c1C#N ZINC000359712574 424832888 /nfs/dbraw/zinc/83/28/88/424832888.db2.gz HRENXWKATPKLTJ-JTQLQIEISA-N 0 0 306.797 2.728 10 30 DEEERN C=C(C)Cn1c(CCc2ccco2)nnc1Nc1cnn(C)c1 ZINC000359118113 424826590 /nfs/dbraw/zinc/82/65/90/424826590.db2.gz UOELXFPQPRKOJH-UHFFFAOYSA-N 0 0 312.377 2.710 10 30 DEEERN CCOCCOCCN(C)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188416703 266280958 /nfs/dbraw/zinc/28/09/58/266280958.db2.gz DHHLVFWXPWDIHK-UHFFFAOYSA-N 0 0 316.401 2.101 10 30 DEEERN C=CC[C@H](C)NC(=O)C(=O)Nc1nn(C2CCCCC2)cc1C ZINC000344493077 424989470 /nfs/dbraw/zinc/98/94/70/424989470.db2.gz XJHZWGHAODWOJZ-ZDUSSCGKSA-N 0 0 318.421 2.716 10 30 DEEERN C=C(CC)CNC(=O)Nc1ccn([C@H](CCC)C(=O)OCC)n1 ZINC000597036766 425030583 /nfs/dbraw/zinc/03/05/83/425030583.db2.gz AFXVDMBZVZVXFS-CYBMUJFWSA-N 0 0 322.409 2.875 10 30 DEEERN N#Cc1cc(Cl)ccc1N1CC[C@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000600879842 425047874 /nfs/dbraw/zinc/04/78/74/425047874.db2.gz KIATYJVXDTZNOH-VIFPVBQESA-N 0 0 315.764 2.283 10 30 DEEERN N#Cc1cccc(CC(=O)NCCCOCC2CCOCC2)c1 ZINC000531153478 268274698 /nfs/dbraw/zinc/27/46/98/268274698.db2.gz YYFRUQAQAZFFQE-UHFFFAOYSA-N 0 0 316.401 2.050 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2cccc(Cn3cncn3)c2)c1 ZINC000530668388 268278267 /nfs/dbraw/zinc/27/82/67/268278267.db2.gz VWMXIIPBVRWKMP-UHFFFAOYSA-N 0 0 317.352 2.379 10 30 DEEERN N#Cc1cccc(-c2cc(C(=O)N3C[C@@H]4CC[C@@H](O)[C@@H]4C3)on2)c1 ZINC000333316317 268925170 /nfs/dbraw/zinc/92/51/70/268925170.db2.gz OMULNBXTPANPGX-SQWLQELKSA-N 0 0 323.352 2.056 10 30 DEEERN C#CCOCCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000245910965 275384579 /nfs/dbraw/zinc/38/45/79/275384579.db2.gz RGWFLIJBDZNVGA-NVXWUHKLSA-N 0 0 320.820 2.241 10 30 DEEERN CC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)n2C)c2ccccc21 ZINC000450254067 275771580 /nfs/dbraw/zinc/77/15/80/275771580.db2.gz HESVGLBWYSWFNB-OAHLLOKOSA-N 0 0 322.368 2.124 10 30 DEEERN C=C(C)CNC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000156285260 276863772 /nfs/dbraw/zinc/86/37/72/276863772.db2.gz OOKPBBFAESGIKA-DZGCQCFKSA-N 0 0 321.808 2.487 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cccc(C(=O)OC)c1 ZINC000362522031 276868806 /nfs/dbraw/zinc/86/88/06/276868806.db2.gz AHSHNISRAHLTGY-GJZGRUSLSA-N 0 0 303.358 2.071 10 30 DEEERN C=CCNC(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000132057770 276901928 /nfs/dbraw/zinc/90/19/28/276901928.db2.gz VIUKLPBDUASJBA-JSGCOSHPSA-N 0 0 307.781 2.097 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N(CC)CC(C)C ZINC000293138632 277788419 /nfs/dbraw/zinc/78/84/19/277788419.db2.gz WFSLVEXZMJQTCV-CQSZACIVSA-N 0 0 308.426 2.424 10 30 DEEERN C[C@H](C(=O)Nc1nccs1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000330115577 279241047 /nfs/dbraw/zinc/24/10/47/279241047.db2.gz FSZUPLDNNIMRTG-NXEZZACHSA-N 0 0 306.395 2.117 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCC(=O)c1cccs1 ZINC000126954561 281844681 /nfs/dbraw/zinc/84/46/81/281844681.db2.gz HMKWRIQFSREZAX-LLVKDONJSA-N 0 0 314.366 2.386 10 30 DEEERN CCC(C)(C)NC(=O)CN1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000408453336 281994934 /nfs/dbraw/zinc/99/49/34/281994934.db2.gz TWTRLJHVFLGTOT-WMLDXEAASA-N 0 0 307.438 2.218 10 30 DEEERN CC(=O)Nc1cccnc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000135253237 282065291 /nfs/dbraw/zinc/06/52/91/282065291.db2.gz HVIQCMPXTQCZMX-NSHDSACASA-N 0 0 324.340 2.318 10 30 DEEERN O=C(NCCC1CCOCC1)N1CCOC[C@H]1CC(F)F ZINC000329273991 295377515 /nfs/dbraw/zinc/37/75/15/295377515.db2.gz JEJAMIOOVRBRCV-GFCCVEGCSA-N 0 0 306.353 2.073 10 30 DEEERN N#Cc1cccc(Cc2nc(-c3cnc4cnccn43)no2)c1 ZINC000574896508 326198005 /nfs/dbraw/zinc/19/80/05/326198005.db2.gz MTPZVJXKRAGPDV-UHFFFAOYSA-N 0 0 302.297 2.242 10 30 DEEERN C=CCn1cc(CNC(=O)NC[C@@H]2CC3CCC2CC3)nn1 ZINC000517735782 331461692 /nfs/dbraw/zinc/46/16/92/331461692.db2.gz XCOGNFCTEGHQEP-RUXDESIVSA-N 0 0 303.410 2.090 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000556678461 331724570 /nfs/dbraw/zinc/72/45/70/331724570.db2.gz KSHSSMNLFBPQOD-HIFRSBDPSA-N 0 0 314.385 2.380 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@](C)(O)[C@H](C)c1ccccc1 ZINC000564859364 331816953 /nfs/dbraw/zinc/81/69/53/331816953.db2.gz SIAJSWFHPWPJEO-GRZALLJUSA-N 0 0 303.402 2.248 10 30 DEEERN C=CCn1c(CC(F)(F)F)nnc1N1CCO[C@@H](C2CC2)C1 ZINC000584113014 331832059 /nfs/dbraw/zinc/83/20/59/331832059.db2.gz WMHNWHBHYPCWSV-LLVKDONJSA-N 0 0 316.327 2.184 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1CC[S@](=O)C(CC)(CC)C1 ZINC000558675701 331934227 /nfs/dbraw/zinc/93/42/27/331934227.db2.gz ZJCBIHBSJSZRGZ-QFIPXVFZSA-N 0 0 322.478 2.469 10 30 DEEERN C=CCN(C)c1nnc([C@H]2COCCO2)n1Cc1ccccc1 ZINC000558912475 331957641 /nfs/dbraw/zinc/95/76/41/331957641.db2.gz GLPOJNCZDNQEGO-OAHLLOKOSA-N 0 0 314.389 2.037 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CCC[C@@H](C)CC1 ZINC000560352766 332333295 /nfs/dbraw/zinc/33/32/95/332333295.db2.gz HTMDNFBYYQQEHK-GFCCVEGCSA-N 0 0 315.425 2.194 10 30 DEEERN C=CCn1c(N(C)Cc2cc(C)on2)nnc1[C@@]1(C)CCCO1 ZINC000562568994 332605964 /nfs/dbraw/zinc/60/59/64/332605964.db2.gz KLFUOMUUQHJDCL-MRXNPFEDSA-N 0 0 317.393 2.423 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@]2(CCOC2)C1 ZINC000562870450 332634523 /nfs/dbraw/zinc/63/45/23/332634523.db2.gz ANHVLNSYRAKZEH-VYDXJSESSA-N 0 0 308.422 2.180 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cn1cccn1 ZINC000062887694 333339886 /nfs/dbraw/zinc/33/98/86/333339886.db2.gz HSIIQMCCPAPRIA-UHFFFAOYSA-N 0 0 300.318 2.006 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)Nc2cccc(C3CC3)n2)C1=O ZINC000297038292 335148644 /nfs/dbraw/zinc/14/86/44/335148644.db2.gz ROITZPHDSBQORC-AWEZNQCLSA-N 0 0 314.389 2.210 10 30 DEEERN C=CCCCCCNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000563353951 333595200 /nfs/dbraw/zinc/59/52/00/333595200.db2.gz CDWBPXKMCPTWKQ-NSHDSACASA-N 0 0 306.328 2.260 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CN1CC(C)(C)C1 ZINC000563373173 333595539 /nfs/dbraw/zinc/59/55/39/333595539.db2.gz GONLKKVZKLWIGF-UHFFFAOYSA-N 0 0 317.389 2.451 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000582371647 336947576 /nfs/dbraw/zinc/94/75/76/336947576.db2.gz GZNXXQZMGXPUQU-BLLLJJGKSA-N 0 0 315.417 2.233 10 30 DEEERN C[C@H](CNS(=O)(=O)CCCC#N)c1ccc(F)cc1F ZINC000174005219 337140544 /nfs/dbraw/zinc/14/05/44/337140544.db2.gz YYBQYXPUESECII-SNVBAGLBSA-N 0 0 302.346 2.291 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000185419803 337205323 /nfs/dbraw/zinc/20/53/23/337205323.db2.gz JAIQLYISBSMCHP-NSHDSACASA-N 0 0 322.434 2.318 10 30 DEEERN CCN(CCC#N)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000583001108 337227396 /nfs/dbraw/zinc/22/73/96/337227396.db2.gz GPUCTMMRCOQJDC-UHFFFAOYSA-N 0 0 302.378 2.291 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000185705605 337250625 /nfs/dbraw/zinc/25/06/25/337250625.db2.gz SHQVHIDKJNSSEY-CYBMUJFWSA-N 0 0 306.410 2.015 10 30 DEEERN COC[C@@H]1CN(c2cc(C#N)ccc2C(C)=O)CC(C)(C)O1 ZINC000583743694 337328270 /nfs/dbraw/zinc/32/82/70/337328270.db2.gz IPQGVIUYWBWIJM-AWEZNQCLSA-N 0 0 302.374 2.391 10 30 DEEERN COC[C@H]1CN(c2cc(C#N)ccc2C(C)=O)CC(C)(C)O1 ZINC000583743695 337328361 /nfs/dbraw/zinc/32/83/61/337328361.db2.gz IPQGVIUYWBWIJM-CQSZACIVSA-N 0 0 302.374 2.391 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCCCC[C@H]1C ZINC000571809104 337577723 /nfs/dbraw/zinc/57/77/23/337577723.db2.gz CWXGDGGZKABVOV-ZIAGYGMSSA-N 0 0 306.410 2.321 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1cc(C)cc(OC)c1 ZINC000571940533 337583603 /nfs/dbraw/zinc/58/36/03/337583603.db2.gz XMWBXIFLNUSLGB-UHFFFAOYSA-N 0 0 318.417 2.482 10 30 DEEERN COC(=O)[C@@H](C)Sc1ccccc1C(=O)N[C@H](C#N)C1CC1 ZINC000161866334 337598243 /nfs/dbraw/zinc/59/82/43/337598243.db2.gz VGIVWESSOXHURR-ZWNOBZJWSA-N 0 0 318.398 2.372 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnc2onc(CC)c2c1 ZINC000516563772 340023762 /nfs/dbraw/zinc/02/37/62/340023762.db2.gz SSMPDTYQCGZLDE-HZMBPMFUSA-N 0 0 301.346 2.106 10 30 DEEERN CC#CCCCC(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000185964723 340507014 /nfs/dbraw/zinc/50/70/14/340507014.db2.gz XZSCLXDGVHGQGK-CQSZACIVSA-N 0 0 311.385 2.095 10 30 DEEERN C=CCC[C@H]1NC(=O)N(C[C@]2(C)COc3ccccc3O2)C1=O ZINC000530202761 340782469 /nfs/dbraw/zinc/78/24/69/340782469.db2.gz WRPNVKSKTGRUHF-SJKOYZFVSA-N 0 0 316.357 2.103 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000127151943 340845733 /nfs/dbraw/zinc/84/57/33/340845733.db2.gz ICLORZMGJUOBQA-UHFFFAOYSA-N 0 0 312.373 2.235 10 30 DEEERN C[C@H](C#N)CNC(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000541947541 340990878 /nfs/dbraw/zinc/99/08/78/340990878.db2.gz HXVLLCZEYDKTEU-OLZOCXBDSA-N 0 0 309.410 2.299 10 30 DEEERN C=C(C)COCCNC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000130861166 341050152 /nfs/dbraw/zinc/05/01/52/341050152.db2.gz WBZHBBALSAPDPA-UHFFFAOYSA-N 0 0 302.378 2.263 10 30 DEEERN C=CCn1c(N(C)C[C@H]2CCCCO2)nnc1[C@@]1(C)CCCO1 ZINC000564292835 341135190 /nfs/dbraw/zinc/13/51/90/341135190.db2.gz SHBLHUJKYABADK-RHSMWYFYSA-N 0 0 320.437 2.495 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000545929724 341146881 /nfs/dbraw/zinc/14/68/81/341146881.db2.gz PYJHLVPZVIEXIE-GTNSWQLSSA-N 0 0 315.373 2.282 10 30 DEEERN COc1ccc(COCCCC(=O)N[C@H](C#N)C2CC2)cc1 ZINC000134306763 341212613 /nfs/dbraw/zinc/21/26/13/341212613.db2.gz GQXCGDUBEBCGGM-MRXNPFEDSA-N 0 0 302.374 2.410 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000547764058 341231105 /nfs/dbraw/zinc/23/11/05/341231105.db2.gz QUOHFMUPTWRREZ-DYVFJYSZSA-N 0 0 303.358 2.406 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NCc1cc(C)on1 ZINC000548804298 341276397 /nfs/dbraw/zinc/27/63/97/341276397.db2.gz DCVJEAVDMCVWSY-UHFFFAOYSA-N 0 0 313.357 2.357 10 30 DEEERN C=CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC000564376636 341333600 /nfs/dbraw/zinc/33/36/00/341333600.db2.gz GTSUQNTUMZMJOZ-GJZGRUSLSA-N 0 0 312.421 2.314 10 30 DEEERN CC[C@H]1CN(c2ccccc2)CCN1C(=O)NC[C@H](C)C#N ZINC000248387012 341376111 /nfs/dbraw/zinc/37/61/11/341376111.db2.gz AAMQYTZRZJBGGF-CABCVRRESA-N 0 0 300.406 2.456 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](c1ccccc1F)[C@@H](C)O ZINC000568016633 341645685 /nfs/dbraw/zinc/64/56/85/341645685.db2.gz KMLPYGZZTDMLSF-FWYOQMDTSA-N 0 0 322.380 2.280 10 30 DEEERN C=CCCCCCNC(=O)NCCC1CCS(=O)(=O)CC1 ZINC000568193526 341657900 /nfs/dbraw/zinc/65/79/00/341657900.db2.gz LYMPUGMHBRAICW-UHFFFAOYSA-N 0 0 316.467 2.247 10 30 DEEERN Cc1cc(=O)[nH]cc1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000177579280 341921367 /nfs/dbraw/zinc/92/13/67/341921367.db2.gz MNWLBMSVVLZOGZ-UHFFFAOYSA-N 0 0 307.353 2.360 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC1(CF)CCOCC1 ZINC000454898488 534319950 /nfs/dbraw/zinc/31/99/50/534319950.db2.gz KOMNYBPZVLDNTE-KBPBESRZSA-N 0 0 314.401 2.033 10 30 DEEERN CC(C)(C(=O)NC[C@H](CO)C1CC1)c1cc(F)cc(C#N)c1 ZINC000358335648 534346329 /nfs/dbraw/zinc/34/63/29/534346329.db2.gz IAKLXSOMTJCYDN-CYBMUJFWSA-N 0 0 304.365 2.110 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCCC1CCOCC1 ZINC000454911467 534364875 /nfs/dbraw/zinc/36/48/75/534364875.db2.gz YAWGSVJORBFQPD-JKSUJKDBSA-N 0 0 310.438 2.474 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cn(CC(C)C)nc1C(F)F ZINC000450849951 534406112 /nfs/dbraw/zinc/40/61/12/534406112.db2.gz XSWJINQSCONZRR-SNVBAGLBSA-N 0 0 301.337 2.144 10 30 DEEERN CC(C)Oc1ccc(NC(=O)N[C@@H](C)[C@H](C)CO)cc1C#N ZINC000157880265 519780801 /nfs/dbraw/zinc/78/08/01/519780801.db2.gz VDNDXNHAUNETBR-NEPJUHHUSA-N 0 0 305.378 2.484 10 30 DEEERN C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)CCC1=O ZINC000329243907 534489336 /nfs/dbraw/zinc/48/93/36/534489336.db2.gz UAGMPXZHEDOOAD-GFQSEFKGSA-N 0 0 315.435 2.304 10 30 DEEERN N#CC1(NC(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)CCCC1 ZINC000179067674 534571519 /nfs/dbraw/zinc/57/15/19/534571519.db2.gz BMGCSFWTGBUXFR-ZDUSSCGKSA-N 0 0 319.311 2.410 10 30 DEEERN C=CCCCCNC(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000454818152 534683553 /nfs/dbraw/zinc/68/35/53/534683553.db2.gz SGQUHLYOQNABBR-ZDUSSCGKSA-N 0 0 322.430 2.213 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)Cc1ccc(OCC)cc1 ZINC000459852678 534697842 /nfs/dbraw/zinc/69/78/42/534697842.db2.gz WTWIUYSADNBPKX-UHFFFAOYSA-N 0 0 318.417 2.468 10 30 DEEERN CC#CCN(C)C(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000457942578 534704642 /nfs/dbraw/zinc/70/46/42/534704642.db2.gz KIKGYEMLFWXLJD-UHFFFAOYSA-N 0 0 323.396 2.061 10 30 DEEERN O=C(c1ccc(O)cc1)N1CCN(CC#Cc2ccccc2)CC1 ZINC000192084656 534715481 /nfs/dbraw/zinc/71/54/81/534715481.db2.gz CEDFYNKSOHHSPQ-UHFFFAOYSA-N 0 0 320.392 2.202 10 30 DEEERN Cn1cc(-c2cncc(C(=O)N3CCC(C)(C#N)CC3)c2)cn1 ZINC000378561911 534718198 /nfs/dbraw/zinc/71/81/98/534718198.db2.gz VOGVNINBWUTWDC-UHFFFAOYSA-N 0 0 309.373 2.248 10 30 DEEERN CC[C@]1(CO)CCCN1C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000189200494 523618238 /nfs/dbraw/zinc/61/82/38/523618238.db2.gz MVDZWJFKBLTQAA-CXAGYDPISA-N 0 0 302.374 2.089 10 30 DEEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC(C)(C)CC#N ZINC000457999003 534764801 /nfs/dbraw/zinc/76/48/01/534764801.db2.gz YEUZWTZUYAMACM-MRXNPFEDSA-N 0 0 307.394 2.304 10 30 DEEERN C[C@H]1OCC[C@@]12CN(C(=O)c1sccc1C#N)C[C@@H](C)O2 ZINC000365560939 525044376 /nfs/dbraw/zinc/04/43/76/525044376.db2.gz AAOCXEXHTRPFLF-UEKVPHQBSA-N 0 0 306.387 2.028 10 30 DEEERN C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(CC)c(OC)c1 ZINC000453769345 534831305 /nfs/dbraw/zinc/83/13/05/534831305.db2.gz VIXCTDDJHJNJEE-UHFFFAOYSA-N 0 0 315.373 2.124 10 30 DEEERN C=CCN(CCOC)C(=O)NCc1ccn(C2CCCC2)n1 ZINC000189621288 526289465 /nfs/dbraw/zinc/28/94/65/526289465.db2.gz FEJCADYVTXBRTA-UHFFFAOYSA-N 0 0 306.410 2.342 10 30 DEEERN C=CCN(CCc1ccccc1)S(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000135549987 526313555 /nfs/dbraw/zinc/31/35/55/526313555.db2.gz RJTSGXRPPFIPKC-ZBFHGGJFSA-N 0 0 309.431 2.224 10 30 DEEERN C=C(Br)CN1CCC(c2nnc3n2CCC3)CC1 ZINC000377563010 526426683 /nfs/dbraw/zinc/42/66/83/526426683.db2.gz WLWIGBHVEPWUEQ-UHFFFAOYSA-N 0 0 311.227 2.312 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)CCc2ccc(C)cc2)C1=O ZINC000337086501 526491707 /nfs/dbraw/zinc/49/17/07/526491707.db2.gz FDUJNNCPEUYNFL-INIZCTEOSA-N 0 0 300.402 2.173 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)c2cccc(F)c2OCC)C1=O ZINC000337083796 526498123 /nfs/dbraw/zinc/49/81/23/526498123.db2.gz YITHQKWSKSQPIF-AWEZNQCLSA-N 0 0 320.364 2.083 10 30 DEEERN C=C(C)CNC(=O)N1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000345823945 526614385 /nfs/dbraw/zinc/61/43/85/526614385.db2.gz NNQSEADHRVXGMS-NSHDSACASA-N 0 0 321.343 2.053 10 30 DEEERN C#CCCCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000192056446 526677697 /nfs/dbraw/zinc/67/76/97/526677697.db2.gz ZCDVAXKXIFSPOD-UHFFFAOYSA-N 0 0 304.434 2.431 10 30 DEEERN C#CCCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000376980737 526678741 /nfs/dbraw/zinc/67/87/41/526678741.db2.gz FJJFYFBTLCVNKA-MRXNPFEDSA-N 0 0 314.385 2.428 10 30 DEEERN C#CCCCC(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000191951110 526679631 /nfs/dbraw/zinc/67/96/31/526679631.db2.gz KDYSGOFYYLGOOW-OAHLLOKOSA-N 0 0 313.401 2.371 10 30 DEEERN C=C(C)CS(=O)(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000366627977 526684528 /nfs/dbraw/zinc/68/45/28/526684528.db2.gz WTMYXUDMDWYMLV-UHFFFAOYSA-N 0 0 303.387 2.139 10 30 DEEERN C#CCCCCC(=O)N[C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000375272831 526689413 /nfs/dbraw/zinc/68/94/13/526689413.db2.gz TZHGYVBNAJHFRQ-QGZVFWFLSA-N 0 0 312.413 2.140 10 30 DEEERN C#CCCCCNC(=O)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000373784397 526700162 /nfs/dbraw/zinc/70/01/62/526700162.db2.gz ATNICJYSCAZSKG-HLLBOEOZSA-N 0 0 308.422 2.158 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@](COC)(C(=O)OCC)C1 ZINC000343852076 526707629 /nfs/dbraw/zinc/70/76/29/526707629.db2.gz LJQKLLYTNJXJGO-YOEHRIQHSA-N 0 0 311.422 2.407 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N1CCC(C(=O)N(C)C)CC1 ZINC000338797262 526721530 /nfs/dbraw/zinc/72/15/30/526721530.db2.gz XKIGSTRJTQJXQL-UHFFFAOYSA-N 0 0 319.453 2.282 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCS(=O)CC1 ZINC000338810269 526728367 /nfs/dbraw/zinc/72/83/67/526728367.db2.gz GSRQJQQCQNGXLC-UHFFFAOYSA-N 0 0 310.467 2.012 10 30 DEEERN C=C(C)Cn1c(CCCC)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC000358954817 526729412 /nfs/dbraw/zinc/72/94/12/526729412.db2.gz QARKFBCVQDQOFI-CQSZACIVSA-N 0 0 319.453 2.254 10 30 DEEERN C#CCCNC(=O)N1CCOc2c(Br)cccc2C1 ZINC000372988049 526734069 /nfs/dbraw/zinc/73/40/69/526734069.db2.gz ZBABRFZHFPRSLZ-UHFFFAOYSA-N 0 0 323.190 2.376 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H]2CCC[C@H]21 ZINC000333672784 526738692 /nfs/dbraw/zinc/73/86/92/526738692.db2.gz JGJQAQQUKOAXST-QLFBSQMISA-N 0 0 318.421 2.463 10 30 DEEERN N#Cc1cccnc1N1CCN(c2nc3ccccc3o2)CC1 ZINC000247648635 526753220 /nfs/dbraw/zinc/75/32/20/526753220.db2.gz LQVNLBMZUCCHOM-UHFFFAOYSA-N 0 0 305.341 2.421 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCc1nc(C(C)(C)C)no1 ZINC000437464699 526768618 /nfs/dbraw/zinc/76/86/18/526768618.db2.gz CSGAWJOJFKEOJM-DOMZBBRYSA-N 0 0 321.421 2.397 10 30 DEEERN C=CCOCCNC(=O)N1CCO[C@@H](c2ccccc2C)C1 ZINC000371645969 526777536 /nfs/dbraw/zinc/77/75/36/526777536.db2.gz LVZITGPHCPHJEY-MRXNPFEDSA-N 0 0 304.390 2.281 10 30 DEEERN C=CCOCCNC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000369983687 526779963 /nfs/dbraw/zinc/77/99/63/526779963.db2.gz JRLXLWBZPSBXRY-JKSUJKDBSA-N 0 0 304.390 2.409 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CC)C1CC(C)(C)C1 ZINC000422427035 526790604 /nfs/dbraw/zinc/79/06/04/526790604.db2.gz CMUQWAPTIACAEU-ZFWWWQNUSA-N 0 0 322.449 2.121 10 30 DEEERN CC(C)(C)c1nnsc1C(=O)NCC[C@@H](O)C(F)(F)F ZINC000330392481 526898366 /nfs/dbraw/zinc/89/83/66/526898366.db2.gz PRAWECMSJAAFAC-ZCFIWIBFSA-N 0 0 311.329 2.454 10 30 DEEERN C=CC(C)(C)CNC(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC000417434184 526953418 /nfs/dbraw/zinc/95/34/18/526953418.db2.gz WTOBJQDFLUDWCZ-AWEZNQCLSA-N 0 0 303.362 2.245 10 30 DEEERN C=CC1CCN(C(=O)N[C@@H](C)c2noc(COCC)n2)CC1 ZINC000360436232 526967181 /nfs/dbraw/zinc/96/71/81/526967181.db2.gz HKWFJKSTVQQZED-NSHDSACASA-N 0 0 308.382 2.275 10 30 DEEERN C=CCC(C)(C)CNC(=O)CCC(=O)Nc1nnc(C2CC2)o1 ZINC000352546142 526999846 /nfs/dbraw/zinc/99/98/46/526999846.db2.gz QDQVRWDEBQGRJY-UHFFFAOYSA-N 0 0 320.393 2.384 10 30 DEEERN C=CCSc1ccccc1C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000337699511 527009313 /nfs/dbraw/zinc/00/93/13/527009313.db2.gz SNVHAEWQBPFPQT-GFCCVEGCSA-N 0 0 304.415 2.267 10 30 DEEERN C=CC[C@@H](C)NS(=O)(=O)c1ccccc1Cn1ccnc1 ZINC000442940378 527032762 /nfs/dbraw/zinc/03/27/62/527032762.db2.gz FIGTZTYQFSMXDZ-CYBMUJFWSA-N 0 0 305.403 2.174 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N(C)C1CCN(c2cnccn2)CC1 ZINC000374280634 527039346 /nfs/dbraw/zinc/03/93/46/527039346.db2.gz QXIMBSXQHMDTSS-CQSZACIVSA-N 0 0 317.437 2.442 10 30 DEEERN C=CCC1(C(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)CCC1 ZINC000191556176 527046633 /nfs/dbraw/zinc/04/66/33/527046633.db2.gz DMYBMTVLTBMIEU-INIZCTEOSA-N 0 0 317.433 2.474 10 30 DEEERN C=CCC1(C(=O)NC[C@H](CO)c2ccc(F)cc2)CCOCC1 ZINC000424884442 527055473 /nfs/dbraw/zinc/05/54/73/527055473.db2.gz QHKOVCJEDYMZSP-OAHLLOKOSA-N 0 0 321.392 2.391 10 30 DEEERN C#CCO[C@@H](C)C(=O)Nc1nc(-c2cccc(OC)c2)ns1 ZINC000294522154 527075908 /nfs/dbraw/zinc/07/59/08/527075908.db2.gz GTMXSIIJMOZDAI-JTQLQIEISA-N 0 0 317.370 2.191 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(C)nc2c1cnn2[C@H](C)CC ZINC000337069684 527098169 /nfs/dbraw/zinc/09/81/69/527098169.db2.gz MFNKVVMAYBHLMX-OLZOCXBDSA-N 0 0 316.405 2.378 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N1CC2(C1)CCCOC2 ZINC000377589029 527111836 /nfs/dbraw/zinc/11/18/36/527111836.db2.gz ZABNGWQYHRFEHC-UHFFFAOYSA-N 0 0 318.348 2.482 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000412810757 527112328 /nfs/dbraw/zinc/11/23/28/527112328.db2.gz BAVZBAWSQDPYDE-ZDUSSCGKSA-N 0 0 314.345 2.246 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N(C)[C@H]1C[C@@H](OC)C1 ZINC000287651020 527126886 /nfs/dbraw/zinc/12/68/86/527126886.db2.gz QIPFULNWQFKJTC-GASCZTMLSA-N 0 0 302.374 2.017 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C1(COC)CCOCC1 ZINC000292363965 527160147 /nfs/dbraw/zinc/16/01/47/527160147.db2.gz PZUCJKPULZGLJB-KRWDZBQOSA-N 0 0 315.413 2.180 10 30 DEEERN C=CCCCCNC(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC000417490469 527161822 /nfs/dbraw/zinc/16/18/22/527161822.db2.gz RKHXOXVFORIIHJ-HNNXBMFYSA-N 0 0 303.362 2.389 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](C)CCCO ZINC000297591776 527161810 /nfs/dbraw/zinc/16/18/10/527161810.db2.gz DCDYUUHQJZBLHT-RDJZCZTQSA-N 0 0 302.418 2.329 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](OC)C1CC1 ZINC000296756711 527161818 /nfs/dbraw/zinc/16/18/18/527161818.db2.gz YNRLDCKECCGVGO-IRXDYDNUSA-N 0 0 300.402 2.345 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@H]1CC12CCSCC2 ZINC000422589020 527177109 /nfs/dbraw/zinc/17/71/09/527177109.db2.gz IMLKUGQXGHHVPK-CYBMUJFWSA-N 0 0 310.463 2.061 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1coc(-c2cccs2)n1 ZINC000182827049 527197870 /nfs/dbraw/zinc/19/78/70/527197870.db2.gz SSGNZBHJDUGDNG-SNVBAGLBSA-N 0 0 307.375 2.139 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCCc2cnn(C(C)C)c21 ZINC000368147212 527199499 /nfs/dbraw/zinc/19/94/99/527199499.db2.gz INERZNPOUJYZKC-ZIAGYGMSSA-N 0 0 306.410 2.078 10 30 DEEERN C=CCCCNC(=O)C(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000342499200 527202279 /nfs/dbraw/zinc/20/22/79/527202279.db2.gz CUWGXHUSZWSGHS-OAHLLOKOSA-N 0 0 308.422 2.019 10 30 DEEERN C=CCCCS(=O)(=O)N1CCO[C@H](c2cccs2)C1 ZINC000292617387 527240084 /nfs/dbraw/zinc/24/00/84/527240084.db2.gz OHBRPWSJIRWHAV-LBPRGKRZSA-N 0 0 301.433 2.417 10 30 DEEERN CC(=O)c1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)[nH]1 ZINC000408071058 527241487 /nfs/dbraw/zinc/24/14/87/527241487.db2.gz OXERVUVFTDPLQL-RDJZCZTQSA-N 0 0 315.373 2.285 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@](C)(CO)C(C)C)c(OC)c1 ZINC000427376308 527254776 /nfs/dbraw/zinc/25/47/76/527254776.db2.gz LGHHDCFLPRMMMC-GOSISDBHSA-N 0 0 321.417 2.326 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC000337865817 527279764 /nfs/dbraw/zinc/27/97/64/527279764.db2.gz QBJKETGFKKOILB-LBPRGKRZSA-N 0 0 316.361 2.114 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)NC[C@H]1CC12CCSCC2 ZINC000422321800 527280861 /nfs/dbraw/zinc/28/08/61/527280861.db2.gz PDZXBJIRARPSCM-UONOGXRCSA-N 0 0 324.490 2.497 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CC[C@@H](OCCOC)C1 ZINC000337877022 527316106 /nfs/dbraw/zinc/31/61/06/527316106.db2.gz ZNGAJJKAIRQPDY-OAHLLOKOSA-N 0 0 322.453 2.294 10 30 DEEERN C=CCCOCCNC(=O)C(=O)N1CCC[C@H]1CC(C)(C)C ZINC000342005714 527340667 /nfs/dbraw/zinc/34/06/67/527340667.db2.gz OVVZAKAQCTXLMH-AWEZNQCLSA-N 0 0 310.438 2.123 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000161169010 527381726 /nfs/dbraw/zinc/38/17/26/527381726.db2.gz JCOWQVHPYQSJIB-LSDHHAIUSA-N 0 0 318.417 2.371 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000345633492 527399922 /nfs/dbraw/zinc/39/99/22/527399922.db2.gz NCUNWHHYFIFNOW-QWHCGFSZSA-N 0 0 306.410 2.163 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000353480320 527400837 /nfs/dbraw/zinc/40/08/37/527400837.db2.gz BSVQEIDONFNGGB-UKRRQHHQSA-N 0 0 305.422 2.419 10 30 DEEERN C#Cc1ccc(CNC(=O)CCc2nc(CSC)no2)cc1 ZINC000295573305 527434302 /nfs/dbraw/zinc/43/43/02/527434302.db2.gz VFEYIDNYKXEMSG-UHFFFAOYSA-N 0 0 315.398 2.163 10 30 DEEERN C#Cc1ccccc1CC(=O)N1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000368108949 527461786 /nfs/dbraw/zinc/46/17/86/527461786.db2.gz LTRSBELRLCTZOI-MJGOQNOKSA-N 0 0 313.397 2.007 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@@H](C)C1CCCCC1 ZINC000425887429 527489645 /nfs/dbraw/zinc/48/96/45/527489645.db2.gz AYOMRKTYSRNNHH-BPUTZDHNSA-N 0 0 322.449 2.121 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](OC)c1ccc(F)cc1 ZINC000425569745 527495570 /nfs/dbraw/zinc/49/55/70/527495570.db2.gz ZSFYTGQMRRKJCB-CWRNSKLLSA-N 0 0 322.380 2.404 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000425564190 527495652 /nfs/dbraw/zinc/49/56/52/527495652.db2.gz KZIUWYGRVPISTI-HUZOTTPUSA-N 0 0 302.418 2.431 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@](C)(OC)c1ccccc1F ZINC000424924869 527496547 /nfs/dbraw/zinc/49/65/47/527496547.db2.gz NFQAONJABXCCMB-YLQAJVPDSA-N 0 0 307.365 2.395 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(NCC)c([N+](=O)[O-])c1 ZINC000425603321 527498217 /nfs/dbraw/zinc/49/82/17/527498217.db2.gz BZAQKJHRBLZXCV-WFASDCNBSA-N 0 0 319.361 2.348 10 30 DEEERN CC(C)(C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccc(F)cc1 ZINC000370971010 527507525 /nfs/dbraw/zinc/50/75/25/527507525.db2.gz AVISHKQLIJXULD-INIZCTEOSA-N 0 0 315.392 2.302 10 30 DEEERN C=CCCc1nc(Cc2ccc(S(C)(=O)=O)c(OC)c2)no1 ZINC000356537208 527512999 /nfs/dbraw/zinc/51/29/99/527512999.db2.gz SCJANYHPQLJKDI-UHFFFAOYSA-N 0 0 322.386 2.191 10 30 DEEERN C=CCN(C(=O)C(=O)Nc1ccccc1-n1ccc(C)n1)C1CC1 ZINC000372629875 527530997 /nfs/dbraw/zinc/53/09/97/527530997.db2.gz FRVVKWWNCDPHIP-UHFFFAOYSA-N 0 0 324.384 2.296 10 30 DEEERN C=CCN(CCC#N)C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000359389690 527656103 /nfs/dbraw/zinc/65/61/03/527656103.db2.gz LYJKZDQIMPULRB-UHFFFAOYSA-N 0 0 315.348 2.494 10 30 DEEERN CCCC(C#N)(CCC)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191663603 527971933 /nfs/dbraw/zinc/97/19/33/527971933.db2.gz KBMBYTOANJLMQV-UHFFFAOYSA-N 0 0 307.354 2.404 10 30 DEEERN CCC(=O)N[C@H]1CCCN(C(=O)NCC(C)(C)CCC#N)C1 ZINC000358740309 528417635 /nfs/dbraw/zinc/41/76/35/528417635.db2.gz UHRXGGBXPPAXOX-ZDUSSCGKSA-N 0 0 308.426 2.017 10 30 DEEERN CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1CN(C)C(=O)c2ccccc21 ZINC000362796932 528610301 /nfs/dbraw/zinc/61/03/01/528610301.db2.gz XSBMEQRPMXWKOL-CRAIPNDOSA-N 0 0 313.401 2.300 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000195479764 528630846 /nfs/dbraw/zinc/63/08/46/528630846.db2.gz ZTSZIJRXQUFRMJ-HOCLYGCPSA-N 0 0 313.401 2.299 10 30 DEEERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC000329866981 528834588 /nfs/dbraw/zinc/83/45/88/528834588.db2.gz VISQZJQBDYLMLO-WWGRRREGSA-N 0 0 321.421 2.290 10 30 DEEERN CCCC[C@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)OC ZINC000189123043 528972058 /nfs/dbraw/zinc/97/20/58/528972058.db2.gz BDGVZFBKMHUGNN-HNNXBMFYSA-N 0 0 314.385 2.438 10 30 DEEERN COc1ccc(C#N)cc1CN1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246910504 536643557 /nfs/dbraw/zinc/64/35/57/536643557.db2.gz RQFARCGKIKJSIA-XYJFISCASA-N 0 0 316.401 2.335 10 30 DEEERN COCCCNC(=O)[C@@H](C#N)C(=O)C[C@@H](C)C1CCCCC1 ZINC000102117701 649925690 /nfs/dbraw/zinc/92/56/90/649925690.db2.gz GPUJJXBITFRWAQ-HIFRSBDPSA-N 0 0 308.422 2.454 10 30 DEEERN C#CC[C@H](OC(=O)CSc1nnnn1C1CC1)C(C)(C)C ZINC000159894120 625375431 /nfs/dbraw/zinc/37/54/31/625375431.db2.gz RSUKSIGOHGVOMU-NSHDSACASA-N 0 0 308.407 2.081 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)OC1CCN(CC(F)F)CC1 ZINC000187627502 622859330 /nfs/dbraw/zinc/85/93/30/622859330.db2.gz ZKEKQSXLWXPORC-OAHLLOKOSA-N 0 0 305.365 2.488 10 30 DEEERN C[C@H](NC(=O)/C=C\c1ccccc1C#N)c1nnc2n1CCCC2 ZINC000255118281 623516979 /nfs/dbraw/zinc/51/69/79/623516979.db2.gz WQBOBVQCPFQQMI-XPSMFNQNSA-N 0 0 321.384 2.377 10 30 DEEERN C#CC[C@@H](OC(=O)/C=C/c1cncc(C(=O)NC)c1)C(C)C ZINC000177738662 623775273 /nfs/dbraw/zinc/77/52/73/623775273.db2.gz SGMKWYBECFVEPN-MVGZEHJDSA-N 0 0 300.358 2.046 10 30 DEEERN CC[C@@H](C#N)OC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000084714002 624790488 /nfs/dbraw/zinc/79/04/88/624790488.db2.gz RHEAEMCKEDSECF-DZGCQCFKSA-N 0 0 304.346 2.108 10 30 DEEERN Cc1noc([C@H]2OCC[C@H]2CNc2nc(C)cc(C)c2C#N)n1 ZINC000888078736 625058161 /nfs/dbraw/zinc/05/81/61/625058161.db2.gz RMWIJWPBELYYSH-JSGCOSHPSA-N 0 0 313.361 2.451 10 30 DEEERN CCOC(=O)c1ccc(C#N)c(SC/C=C(/C)C(=O)OC)n1 ZINC000743453624 625109112 /nfs/dbraw/zinc/10/91/12/625109112.db2.gz GWBDJGJAHWPCQC-YFHOEESVSA-N 0 0 320.370 2.341 10 30 DEEERN C#CCCOC(=O)CCNS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000156686850 625162318 /nfs/dbraw/zinc/16/23/18/625162318.db2.gz QHKBTTSJQUZZRX-UHFFFAOYSA-N 0 0 323.414 2.045 10 30 DEEERN CCOC(=O)C1(C(=O)OC[C@H](C#N)Cc2ccccc2)CC1 ZINC000181236830 625252973 /nfs/dbraw/zinc/25/29/73/625252973.db2.gz YBPTXUVVBUMNOC-AWEZNQCLSA-N 0 0 301.342 2.255 10 30 DEEERN C#CCOc1cccc([C@@H](C)OC(=O)c2cccn(C)c2=O)c1 ZINC000733698019 633270174 /nfs/dbraw/zinc/27/01/74/633270174.db2.gz QCOFNJCEFXPBNZ-CYBMUJFWSA-N 0 0 311.337 2.315 10 30 DEEERN C#CCOc1ccc([C@@H](C)OC(=O)c2cccn(C)c2=O)cc1 ZINC000733697915 633270447 /nfs/dbraw/zinc/27/04/47/633270447.db2.gz PGBHBKBBISKJGJ-CYBMUJFWSA-N 0 0 311.337 2.315 10 30 DEEERN C=C(COC(=O)COc1ccc(F)cc1F)C(=O)OCC ZINC000734029465 633313148 /nfs/dbraw/zinc/31/31/48/633313148.db2.gz UUGIIDUBPKLKJZ-UHFFFAOYSA-N 0 0 300.257 2.006 10 30 DEEERN C=C(COC(=O)c1cnn(Cc2ccccc2)c1)C(=O)OCC ZINC000734025480 633317778 /nfs/dbraw/zinc/31/77/78/633317778.db2.gz RTBDJHNNRWMODF-UHFFFAOYSA-N 0 0 314.341 2.208 10 30 DEEERN C=C(COC(=O)c1cc(=O)[nH]c2ccccc21)C(=O)OCC ZINC000734025048 633317808 /nfs/dbraw/zinc/31/78/08/633317808.db2.gz YLFMXYGEIAVMOH-UHFFFAOYSA-N 0 0 301.298 2.217 10 30 DEEERN C=C(COC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(=O)OCC ZINC000734025280 633318124 /nfs/dbraw/zinc/31/81/24/633318124.db2.gz JGTKSAXRXCOQEX-ZDUSSCGKSA-N 0 0 310.733 2.306 10 30 DEEERN C=CC[C@H](NC(=O)NCCCCC(=O)OC)c1ccncc1 ZINC000734665310 633411888 /nfs/dbraw/zinc/41/18/88/633411888.db2.gz LEYZPAJTZTUDSU-AWEZNQCLSA-N 0 0 305.378 2.341 10 30 DEEERN C=C(C)COC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000734917208 633443658 /nfs/dbraw/zinc/44/36/58/633443658.db2.gz HNEXBKRIWLYLMQ-ZBFHGGJFSA-N 0 0 303.358 2.334 10 30 DEEERN N#CCOc1ccc(Cl)cc1CN1CCC[C@@H](OCCO)C1 ZINC000735311144 633501115 /nfs/dbraw/zinc/50/11/15/633501115.db2.gz LDZOCQQZIQDRRR-OAHLLOKOSA-N 0 0 324.808 2.216 10 30 DEEERN Cc1noc([C@]23CCC[C@H]2CN(c2ncc(C#N)cc2F)C3)n1 ZINC000888097128 635539258 /nfs/dbraw/zinc/53/92/58/635539258.db2.gz BONYSYFKEZQJCL-LRDDRELGSA-N 0 0 313.336 2.342 10 30 DEEERN C=CCNC(=S)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000726494753 636437643 /nfs/dbraw/zinc/43/76/43/636437643.db2.gz WFKASICORGOCHL-CYBMUJFWSA-N 0 0 305.447 2.172 10 30 DEEERN CC(=NNc1ccc(S(C)(=O)=O)cc1)c1cncc(F)c1 ZINC000737428853 637316755 /nfs/dbraw/zinc/31/67/55/637316755.db2.gz IBZINBDQUAUWQN-UHFFFAOYSA-N 0 0 307.350 2.460 10 30 DEEERN C=C(C)CN(C)C(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000183059298 637532068 /nfs/dbraw/zinc/53/20/68/637532068.db2.gz OLQLLFDBMAQVAG-VOTSOKGWSA-N 0 0 314.389 2.353 10 30 DEEERN C#CCCCOC(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000727038805 637594093 /nfs/dbraw/zinc/59/40/93/637594093.db2.gz AYWHLQWTHWQXON-LLVKDONJSA-N 0 0 307.296 2.274 10 30 DEEERN CNS(=O)(=O)c1cccc(C(C)=NNc2ccc(C)cn2)c1 ZINC000727260252 637798347 /nfs/dbraw/zinc/79/83/47/637798347.db2.gz UKRVZQZLIKZEBA-UHFFFAOYSA-N 0 0 318.402 2.134 10 30 DEEERN C#CCOc1cccc(NS(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000742029682 638032052 /nfs/dbraw/zinc/03/20/52/638032052.db2.gz MROLXOGZBSQQLO-ZDUSSCGKSA-N 0 0 308.403 2.087 10 30 DEEERN C[C@]1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCc2ccccc2C1 ZINC000742664024 638084298 /nfs/dbraw/zinc/08/42/98/638084298.db2.gz BULLBNJXHCOGQX-ICSRJNTNSA-N 0 0 323.440 2.380 10 30 DEEERN C#CCN(CC#CC)C[C@H](O)c1ccc(Br)cc1 ZINC000743855111 638180521 /nfs/dbraw/zinc/18/05/21/638180521.db2.gz YWLDDLJKFHWUSF-HNNXBMFYSA-N 0 0 306.203 2.441 10 30 DEEERN COc1ccc(NC(=O)NCc2ccc(OC)c(C#N)c2)cn1 ZINC000746669927 638366752 /nfs/dbraw/zinc/36/67/52/638366752.db2.gz QDFGMZHDESVYSD-UHFFFAOYSA-N 0 0 312.329 2.292 10 30 DEEERN COc1ccc(CNC(=O)NCc2cccc(O)c2)cc1C#N ZINC000746742747 638374547 /nfs/dbraw/zinc/37/45/47/638374547.db2.gz UFQZTAFOFGAYGQ-UHFFFAOYSA-N 0 0 311.341 2.272 10 30 DEEERN CC[C@H]1CN(C(=O)NCc2ccc(OC)c(C#N)c2)C[C@@H](C)O1 ZINC000746785681 638377493 /nfs/dbraw/zinc/37/74/93/638377493.db2.gz TXSCFPUPFNNFCA-DOMZBBRYSA-N 0 0 317.389 2.276 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)Cn1cccn1 ZINC000804950526 638497995 /nfs/dbraw/zinc/49/79/95/638497995.db2.gz DWOAWPHIFZVYGE-WBVHZDCISA-N 0 0 310.401 2.205 10 30 DEEERN CCNC(=O)c1ccccc1NC(=O)Cc1cccc(C#N)c1 ZINC000749324559 638635410 /nfs/dbraw/zinc/63/54/10/638635410.db2.gz VXINONSLHIEHCG-UHFFFAOYSA-N 0 0 307.353 2.489 10 30 DEEERN C/C(=C\c1ccc(F)cc1)C(=O)NC1CCN(CC#N)CC1 ZINC000749380502 638641172 /nfs/dbraw/zinc/64/11/72/638641172.db2.gz ATIBTWRYUJZBKF-OUKQBFOZSA-N 0 0 301.365 2.333 10 30 DEEERN CC1(O)CCC(NC(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000749596954 638662752 /nfs/dbraw/zinc/66/27/52/638662752.db2.gz XBNPNVQOZHKHHT-UHFFFAOYSA-N 0 0 305.353 2.190 10 30 DEEERN C=CCN(C(=O)NCCCNC(=O)c1ccccc1)C(C)C ZINC000750325905 638734347 /nfs/dbraw/zinc/73/43/47/638734347.db2.gz FWAQETRQXUWNMH-UHFFFAOYSA-N 0 0 303.406 2.413 10 30 DEEERN C#CCOCCNC(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000752771026 639218475 /nfs/dbraw/zinc/21/84/75/639218475.db2.gz HQXUHJNONNMZMQ-UHFFFAOYSA-N 0 0 306.410 2.434 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1cnn(-c2ccccc2)c1)C(C)(C)C ZINC000805146760 639840476 /nfs/dbraw/zinc/84/04/76/639840476.db2.gz KVTGUVVEADCLHU-HNNXBMFYSA-N 0 0 317.414 2.199 10 30 DEEERN C=CCNC(=O)NC(=O)COC(=O)/C=C(/CC)c1ccccc1 ZINC000729022099 639940828 /nfs/dbraw/zinc/94/08/28/639940828.db2.gz XTNMMEIRRGVXAG-QBFSEMIESA-N 0 0 316.357 2.035 10 30 DEEERN C=CCc1cc(C(=O)OC[C@H]2COCCO2)cc(OC)c1OC ZINC000729106585 640051055 /nfs/dbraw/zinc/05/10/55/640051055.db2.gz XJXZCBOHBFAXIT-CQSZACIVSA-N 0 0 322.357 2.005 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@]1(C)CCCO1 ZINC000805192944 640152367 /nfs/dbraw/zinc/15/23/67/640152367.db2.gz OYFYFJSKIZBESV-AEFFLSMTSA-N 0 0 300.402 2.489 10 30 DEEERN Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CCO[C@H](C#N)C1 ZINC000729978902 640865987 /nfs/dbraw/zinc/86/59/87/640865987.db2.gz XNUIGQYVRJMFEL-CYBMUJFWSA-N 0 0 315.304 2.154 10 30 DEEERN C=CCCO[C@@H](C)C(=O)OCCc1c[nH]nc1C(F)(F)F ZINC000067799698 641599105 /nfs/dbraw/zinc/59/91/05/641599105.db2.gz BARBOCVMQDHRFU-VIFPVBQESA-N 0 0 306.284 2.495 10 30 DEEERN C=CC[C@H](NC(=O)C(=O)NCCCCSC)c1ccncc1 ZINC000805810745 643382437 /nfs/dbraw/zinc/38/24/37/643382437.db2.gz JLWUBJYBBAHMRG-AWEZNQCLSA-N 0 0 321.446 2.074 10 30 DEEERN C=C[C@H](N[C@H](C)c1ccc(N2CCCC2=O)cc1)C(=O)OC ZINC000800368745 645263247 /nfs/dbraw/zinc/26/32/47/645263247.db2.gz BMYSFLXPYKXMNO-DOMZBBRYSA-N 0 0 302.374 2.192 10 30 DEEERN C#CCNC(=O)[C@@H](C)N1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000800474493 645278444 /nfs/dbraw/zinc/27/84/44/645278444.db2.gz KIRIIZKLTFKKMA-DYVFJYSZSA-N 0 0 306.356 2.143 10 30 DEEERN C#CCOc1cccc(Cl)c1CN1CC(=O)N(C)[C@H](C)C1 ZINC000800538103 645286006 /nfs/dbraw/zinc/28/60/06/645286006.db2.gz JXMHIBRTMQVJJZ-GFCCVEGCSA-N 0 0 306.793 2.015 10 30 DEEERN C#CCC[C@@H](O)CNC(=O)c1cnccc1Oc1ccccc1 ZINC000800559940 645287891 /nfs/dbraw/zinc/28/78/91/645287891.db2.gz BGIAABOLWCFDFW-CQSZACIVSA-N 0 0 310.353 2.378 10 30 DEEERN C#C[C@@H](NC(=O)Nc1cc(OC)cc(OC)c1C)[C@@H]1CCCO1 ZINC000800573154 645288419 /nfs/dbraw/zinc/28/84/19/645288419.db2.gz MOSWMMMHJGPYHE-HIFRSBDPSA-N 0 0 318.373 2.315 10 30 DEEERN C#CCOc1ccc(COC(=O)COCc2cc(C)no2)cc1 ZINC000800940572 645323305 /nfs/dbraw/zinc/32/33/05/645323305.db2.gz VJTWOELJOUXOFL-UHFFFAOYSA-N 0 0 315.325 2.255 10 30 DEEERN C[C@H](NC(=O)N1CCO[C@H](C(F)F)C1)c1cccc(C#N)c1 ZINC000801027718 645332364 /nfs/dbraw/zinc/33/23/64/645332364.db2.gz XKFOFYDRMZNXAS-GWCFXTLKSA-N 0 0 309.316 2.295 10 30 DEEERN C[C@H](NC(=O)N1CCO[C@@H](C(F)F)C1)c1cccc(C#N)c1 ZINC000801027719 645332480 /nfs/dbraw/zinc/33/24/80/645332480.db2.gz XKFOFYDRMZNXAS-GXFFZTMASA-N 0 0 309.316 2.295 10 30 DEEERN C[C@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccsc1 ZINC000801066172 645337730 /nfs/dbraw/zinc/33/77/30/645337730.db2.gz NVYABMYLNWPCRJ-SMDDNHRTSA-N 0 0 304.419 2.191 10 30 DEEERN CC(C)C1CCC2(CC1)NC(=O)N(CCO[C@@H](C)C#N)C2=O ZINC000801657023 645427465 /nfs/dbraw/zinc/42/74/65/645427465.db2.gz FLXALNROFRHYKF-FUJMWEONSA-N 0 0 307.394 2.052 10 30 DEEERN COc1cc(C#N)ccc1NC(=O)N1CCO[C@H](C(F)F)C1 ZINC000801715516 645433468 /nfs/dbraw/zinc/43/34/68/645433468.db2.gz UYCSCBXHDRKLLG-LBPRGKRZSA-N 0 0 311.288 2.065 10 30 DEEERN C#CCOc1ccccc1NC(=O)N1CCO[C@H](C(F)F)C1 ZINC000801723709 645434192 /nfs/dbraw/zinc/43/41/92/645434192.db2.gz YBPAPIXZPYVAPW-ZDUSSCGKSA-N 0 0 310.300 2.196 10 30 DEEERN C#CCN(C)c1nnc(CCCc2cccs2)n1CCOC ZINC000802422588 645524445 /nfs/dbraw/zinc/52/44/45/645524445.db2.gz YLVREVPYFNVXQO-UHFFFAOYSA-N 0 0 318.446 2.231 10 30 DEEERN C#Cc1cc(F)c(NC(=O)C(=O)N[C@H]2CC23CCCC3)c(F)c1 ZINC000802574105 645534974 /nfs/dbraw/zinc/53/49/74/645534974.db2.gz DRYPYWNWFCKNDQ-ZDUSSCGKSA-N 0 0 318.323 2.334 10 30 DEEERN C=C[C@](C)(CC)COC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000802796637 645561234 /nfs/dbraw/zinc/56/12/34/645561234.db2.gz ITFVTLDOJMNHAE-WCQYABFASA-N 0 0 309.328 2.395 10 30 DEEERN C#C[C@H](C)Oc1ccc(COC(=O)c2cn(CCC)nn2)cc1 ZINC000802809607 645562047 /nfs/dbraw/zinc/56/20/47/645562047.db2.gz LPSAUCWSJZLTRS-ZDUSSCGKSA-N 0 0 313.357 2.446 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccoc1C ZINC000803520445 645667584 /nfs/dbraw/zinc/66/75/84/645667584.db2.gz MRZZCHQVGGZQMY-INIZCTEOSA-N 0 0 324.380 2.069 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N(Cc1ccccc1)C1CC1 ZINC000803700109 645682695 /nfs/dbraw/zinc/68/26/95/645682695.db2.gz CEHMLRXTEFAHFZ-UHFFFAOYSA-N 0 0 323.392 2.384 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000803701610 645682828 /nfs/dbraw/zinc/68/28/28/645682828.db2.gz ZCNVOSBGTRBGLA-DOTOQJQBSA-N 0 0 315.413 2.374 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)OC[C@@H]1CCCO1 ZINC000804452150 645773186 /nfs/dbraw/zinc/77/31/86/645773186.db2.gz DDXIYNURUCTERX-NXHRZFHOSA-N 0 0 315.413 2.321 10 30 DEEERN C=CCCCN(C)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804466893 645775881 /nfs/dbraw/zinc/77/58/81/645775881.db2.gz QOVLIUYECWLRKH-UHFFFAOYSA-N 0 0 304.350 2.188 10 30 DEEERN C#Cc1cncc(C(=O)N[C@H](c2nnc3ccccn32)C(C)C)c1 ZINC000806926845 645890767 /nfs/dbraw/zinc/89/07/67/645890767.db2.gz VHAOAWHZYPCRHN-INIZCTEOSA-N 0 0 319.368 2.233 10 30 DEEERN C#Cc1cncc(C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000807070419 645909242 /nfs/dbraw/zinc/90/92/42/645909242.db2.gz UMUYTJOXDVKAMI-ZDUSSCGKSA-N 0 0 317.352 2.135 10 30 DEEERN C#Cc1cncc(C(=O)Nc2nc3c(cccc3OC)n2C)c1 ZINC000807263691 645931972 /nfs/dbraw/zinc/93/19/72/645931972.db2.gz RRAKQBNTMMUTSW-UHFFFAOYSA-N 0 0 306.325 2.211 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCOC[C@H]1CC ZINC000807469210 645954285 /nfs/dbraw/zinc/95/42/85/645954285.db2.gz FMOCXCGEODTLOK-IAGOWNOFSA-N 0 0 300.402 2.441 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@]1(C)CO ZINC000807470733 645955769 /nfs/dbraw/zinc/95/57/69/645955769.db2.gz UPMTUIKXQZUKOC-FUHWJXTLSA-N 0 0 300.402 2.177 10 30 DEEERN C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CCCC2(F)F)n1 ZINC000807598807 645969319 /nfs/dbraw/zinc/96/93/19/645969319.db2.gz ZZZZHIIWXVHZFF-CYBMUJFWSA-N 0 0 310.348 2.236 10 30 DEEERN C=C(C)CS(=O)(=O)NCCCn1nc2ccccc2c1C ZINC000223442441 646494965 /nfs/dbraw/zinc/49/49/65/646494965.db2.gz LFSBLQQGQCALDH-UHFFFAOYSA-N 0 0 307.419 2.230 10 30 DEEERN C[C@@H](C(=O)[C@H](C#N)c1nnc2n1CCCCC2)C1CCOCC1 ZINC000165671330 646504201 /nfs/dbraw/zinc/50/42/01/646504201.db2.gz CMKBCLAPMYMQLN-OCCSQVGLSA-N 0 0 316.405 2.243 10 30 DEEERN CCOCCOCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000171529092 646703765 /nfs/dbraw/zinc/70/37/65/646703765.db2.gz XDQNCWMONHHMPW-CYBMUJFWSA-N 0 0 324.764 2.040 10 30 DEEERN C=CCN1CCC(NS(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000171537806 646704366 /nfs/dbraw/zinc/70/43/66/646704366.db2.gz IXSIOBJDFDFRBZ-GXDHUFHOSA-N 0 0 306.431 2.227 10 30 DEEERN C=CCOCCCC(=O)OCCn1c(=O)oc2ccccc21 ZINC000174223960 646798330 /nfs/dbraw/zinc/79/83/30/646798330.db2.gz NAHNNBAXZZNLOY-UHFFFAOYSA-N 0 0 305.330 2.121 10 30 DEEERN C#C[C@@H](OC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1)C1CC1 ZINC000152879546 647295173 /nfs/dbraw/zinc/29/51/73/647295173.db2.gz WWASRFIAVMMYDT-KDHUCADRSA-N 0 0 319.382 2.026 10 30 DEEERN C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C2CC2)cc1 ZINC000193669149 647591315 /nfs/dbraw/zinc/59/13/15/647591315.db2.gz KYACTGHCJQEZRH-NSHDSACASA-N 0 0 309.387 2.106 10 30 DEEERN N#C[C@H]1CN(Cc2ccc(Br)cn2)CCN1C1CC1 ZINC000732668517 647638927 /nfs/dbraw/zinc/63/89/27/647638927.db2.gz NCYRILLPIOPPLG-AWEZNQCLSA-N 0 0 321.222 2.016 10 30 DEEERN C[C@@H](Cc1ccsc1)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732673590 647640054 /nfs/dbraw/zinc/64/00/54/647640054.db2.gz AFZHJCFHJVEDRS-SWLSCSKDSA-N 0 0 318.446 2.061 10 30 DEEERN CC(C)n1ccn(CN2CCN(C3CC3)[C@@H](C#N)C2)c1=S ZINC000732671868 647640118 /nfs/dbraw/zinc/64/01/18/647640118.db2.gz AMKQQIBWJKNRAU-AWEZNQCLSA-N 0 0 305.451 2.230 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180029343 648449263 /nfs/dbraw/zinc/44/92/63/648449263.db2.gz DEZIUQFZBOEWNZ-UHFFFAOYSA-N 0 0 312.369 2.433 10 30 DEEERN COC(=O)N[C@H](CC(C)C)C(=O)OCC#Cc1ccccc1 ZINC000068337222 648450963 /nfs/dbraw/zinc/45/09/63/648450963.db2.gz RSBODSZBIXQIDG-OAHLLOKOSA-N 0 0 303.358 2.352 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccncn1 ZINC000180544399 648499166 /nfs/dbraw/zinc/49/91/66/648499166.db2.gz RROCTEIEVMGANZ-BQYQJAHWSA-N 0 0 308.341 2.044 10 30 DEEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000183210440 649046486 /nfs/dbraw/zinc/04/64/86/649046486.db2.gz LRJIJXYJZJILEA-QGZVFWFLSA-N 0 0 324.380 2.345 10 30 DEEERN N#C[C@H](NC(=O)c1ccc(C2N=NC(=S)O2)cc1)C1CC1 ZINC000183566420 649107713 /nfs/dbraw/zinc/10/77/13/649107713.db2.gz DKKZUZHOQVUOPR-NSHDSACASA-N 0 0 300.343 2.057 10 30 DEEERN Cc1cccn2c1ncc(C(=O)OCC1(C#N)CCCC1)c2=O ZINC000183887013 649192687 /nfs/dbraw/zinc/19/26/87/649192687.db2.gz OYGUKYWFJUAOQA-UHFFFAOYSA-N 0 0 311.341 2.244 10 30 DEEERN C[C@H](CCn1cccn1)OC(=O)Cc1ccc(OCC#N)cc1 ZINC000183917222 649200371 /nfs/dbraw/zinc/20/03/71/649200371.db2.gz MOKKQNYHPRIMRO-CQSZACIVSA-N 0 0 313.357 2.350 10 30 DEEERN CC#CCCCCOC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000183938312 649204328 /nfs/dbraw/zinc/20/43/28/649204328.db2.gz JEXURITWXJWTQQ-UHFFFAOYSA-N 0 0 323.414 2.044 10 30 DEEERN N#CC1(COC(=O)c2cc3ccccc3oc2=O)CCOCC1 ZINC000183991780 649216700 /nfs/dbraw/zinc/21/67/00/649216700.db2.gz ISPBHVCLHHVQJC-UHFFFAOYSA-N 0 0 313.309 2.270 10 30 DEEERN C#CCCNC(=O)c1cnc(SC)n1-c1ccc(F)cc1 ZINC000733247293 649463270 /nfs/dbraw/zinc/46/32/70/649463270.db2.gz MRKVUNBGYNFQPY-UHFFFAOYSA-N 0 0 303.362 2.486 10 30 DEEERN C#CCCNC(=O)c1occc1CS(=O)(=O)c1ccccc1 ZINC000733248102 649463898 /nfs/dbraw/zinc/46/38/98/649463898.db2.gz YDPXIYROQLIPFB-UHFFFAOYSA-N 0 0 317.366 2.007 10 30 DEEERN C#CCC(C)(C)COC(=O)c1cnc2c(cnn2C)c1OC ZINC000185346309 649504271 /nfs/dbraw/zinc/50/42/71/649504271.db2.gz KXXAXFMKUXIQQK-UHFFFAOYSA-N 0 0 301.346 2.183 10 30 DEEERN C#CCCNC(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000733356264 649553785 /nfs/dbraw/zinc/55/37/85/649553785.db2.gz OMTVUVXYBHJKAS-CYBMUJFWSA-N 0 0 309.410 2.099 10 30 DEEERN C#CCCNC(=O)N[C@@H](CC(=O)OCC)c1cccc(OC)c1 ZINC000733355884 649553836 /nfs/dbraw/zinc/55/38/36/649553836.db2.gz FKNWBBCCHKDIQF-HNNXBMFYSA-N 0 0 318.373 2.012 10 30 DEEERN COC[C@@H](C)COC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000185768594 649612311 /nfs/dbraw/zinc/61/23/11/649612311.db2.gz FGOARRXWGFUJDD-GFCCVEGCSA-N 0 0 307.394 2.172 10 30 DEEERN CCc1nn(C)c(Cl)c1CN1CCN(CCCC#N)CC1 ZINC000105870359 651235119 /nfs/dbraw/zinc/23/51/19/651235119.db2.gz SVULMQZOLBHSGO-UHFFFAOYSA-N 0 0 309.845 2.057 10 30 DEEERN C#CCOc1cccc(NC(=O)CNC(=O)c2ccsc2)c1 ZINC000108452771 651645763 /nfs/dbraw/zinc/64/57/63/651645763.db2.gz GDLWDJOWJRMVCO-UHFFFAOYSA-N 0 0 314.366 2.129 10 30 DEEERN C#CCCOC(=O)c1c(N)cccc1I ZINC000389979435 685437315 /nfs/dbraw/zinc/43/73/15/685437315.db2.gz HQCUGOALAPCUCP-UHFFFAOYSA-N 0 0 315.110 2.054 10 30 DEEERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000017326678 683855207 /nfs/dbraw/zinc/85/52/07/683855207.db2.gz YZMFRECSVRIWRR-VXGBXAGGSA-N 0 0 313.357 2.500 10 30 DEEERN N#CCC1(COC(=O)[C@H]2CSCN2C(=O)C2CCCC2)CC1 ZINC000079168455 683970162 /nfs/dbraw/zinc/97/01/62/683970162.db2.gz SXVVXYXCVLKRIN-CYBMUJFWSA-N 0 0 322.430 2.315 10 30 DEEERN C#CCOCCC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000121901944 684110867 /nfs/dbraw/zinc/11/08/67/684110867.db2.gz KODNQXBKSWODME-OAQYLSRUSA-N 0 0 319.304 2.292 10 30 DEEERN C#CCOc1ccc(NC(=O)C(=O)N[C@H](C)C(C)(C)C)cc1 ZINC000123075663 684122404 /nfs/dbraw/zinc/12/24/04/684122404.db2.gz HQCFECIUQOQISO-GFCCVEGCSA-N 0 0 302.374 2.188 10 30 DEEERN C=CCN(CC(=O)N[C@@H](C)c1ccc(F)cc1)CC(=O)OCC ZINC000126159323 684151779 /nfs/dbraw/zinc/15/17/79/684151779.db2.gz PWOXOBIDERUZBX-ZDUSSCGKSA-N 0 0 322.380 2.054 10 30 DEEERN C#CCSCCNC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000128883661 684174079 /nfs/dbraw/zinc/17/40/79/684174079.db2.gz LOWHNKQFKFXGTG-UHFFFAOYSA-N 0 0 302.403 2.037 10 30 DEEERN C#CCSCCNC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000130249052 684187113 /nfs/dbraw/zinc/18/71/13/684187113.db2.gz KAZNHPHWKBVMHE-UHFFFAOYSA-N 0 0 313.382 2.347 10 30 DEEERN CS(=O)(=O)c1csc(C(=O)OCC#Cc2ccccc2)c1 ZINC000130299308 684187433 /nfs/dbraw/zinc/18/74/33/684187433.db2.gz PXDWNIPOLOJVNV-UHFFFAOYSA-N 0 0 320.391 2.360 10 30 DEEERN COc1ccc2c(c1)CCN2C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000135430163 684235645 /nfs/dbraw/zinc/23/56/45/684235645.db2.gz SYHZLIJVCBSFEO-UHFFFAOYSA-N 0 0 321.332 2.365 10 30 DEEERN COC(=O)CC1CCC(OC(=O)c2cc(C#N)cn2C)CC1 ZINC000156080664 684284477 /nfs/dbraw/zinc/28/44/77/684284477.db2.gz IYWXBHDRIBCRKP-UHFFFAOYSA-N 0 0 304.346 2.175 10 30 DEEERN C[C@H](OC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)C(C)(C)C#N ZINC000178811415 684333775 /nfs/dbraw/zinc/33/37/75/684333775.db2.gz PJJNJIVTITUDQY-UONOGXRCSA-N 0 0 321.421 2.396 10 30 DEEERN C=CC[C@@]1(C(=O)N[C@@H]2CCOC2)CCCN1C(=O)OC(C)(C)C ZINC000189715186 684386726 /nfs/dbraw/zinc/38/67/26/684386726.db2.gz QWFKGDDGXFYEOP-DYVFJYSZSA-N 0 0 324.421 2.237 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccn(C)c2C)c1 ZINC000195125861 685087539 /nfs/dbraw/zinc/08/75/39/685087539.db2.gz QBWQOKZMZSGWDA-UHFFFAOYSA-N 0 0 309.369 2.026 10 30 DEEERN CN(C)c1ccc([C@@H]2CCCN2Cc2cc(C#N)n(C)c2)nn1 ZINC000886027419 691986898 /nfs/dbraw/zinc/98/68/98/691986898.db2.gz XLHLHBVKNJOLOX-INIZCTEOSA-N 0 0 310.405 2.090 10 30 DEEERN N#Cc1cnc(NCc2nnc([C@H]3CCCOC3)o2)c(Cl)c1 ZINC000886079421 691998577 /nfs/dbraw/zinc/99/85/77/691998577.db2.gz XEGRQULSVVZUJN-JTQLQIEISA-N 0 0 319.752 2.496 10 30 DEEERN COCCCNC(=O)C(C#N)=C(O)C(C)=Cc1ccc(C)cc1 ZINC000588401934 777071947 /nfs/dbraw/zinc/07/19/47/777071947.db2.gz RJHDJKMWDPQUQX-SYCZXOQXSA-N 0 0 314.385 2.260 10 30 DEEERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C#N)cn1 ZINC000588438443 777195206 /nfs/dbraw/zinc/19/52/06/777195206.db2.gz QDIWTYCOUTUSRX-FLIBITNWSA-N 0 0 308.297 2.325 10 30 DEEERN C#Cc1ccc(C(=O)N[C@H](c2nnc3ccccn32)C(C)C)nc1 ZINC000728822333 778514681 /nfs/dbraw/zinc/51/46/81/778514681.db2.gz WXVGEYZYBFTCBQ-INIZCTEOSA-N 0 0 319.368 2.233 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)NCC[C@@H]1CCCS1 ZINC000715963967 792540606 /nfs/dbraw/zinc/54/06/06/792540606.db2.gz BBYXQZGCSUEAIE-ZDUSSCGKSA-N 0 0 310.444 2.431 10 30 DEEERN C#CC[C@H](COC)NC(=O)c1cccc(Br)c1F ZINC000716843118 793009889 /nfs/dbraw/zinc/00/98/89/793009889.db2.gz ADBDTWANDSIJFC-SECBINFHSA-N 0 0 314.154 2.356 10 30 DEEERN C#CC[C@H](CO)NC(=O)/C=C\c1ccc(C)cc1Br ZINC000717702997 799428603 /nfs/dbraw/zinc/42/86/03/799428603.db2.gz NDJJCKXKBZPGQR-MEJMFZKBSA-N 0 0 322.202 2.271 10 30 DEEERN CC#CC[C@H](CO)NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000717738605 799430371 /nfs/dbraw/zinc/43/03/71/799430371.db2.gz DVVFLESHHSLQFF-ATWMFIQVSA-N 0 0 313.806 2.004 10 30 DEEERN C#CCSCCNC(=O)c1nscc1Br ZINC000404819131 802032661 /nfs/dbraw/zinc/03/26/61/802032661.db2.gz RGNTWCQPCABYPV-UHFFFAOYSA-N 0 0 305.222 2.002 10 30 DEEERN CCCCCCCS(=O)(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000195289604 802516477 /nfs/dbraw/zinc/51/64/77/802516477.db2.gz NWTIZFVWIFBMAR-YIONKMFJSA-N 0 0 303.468 2.379 10 30 DEEERN C[C@]1(CNS(=O)(=O)c2cc(F)cc(C#N)c2)CCCS1 ZINC000720040989 1089441806 /nfs/dbraw/zinc/44/18/06/1089441806.db2.gz ZGESXWAEWYOUBR-CYBMUJFWSA-N 0 0 314.407 2.261 10 30 DEEERN C=CCOCC(=O)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000354945957 1138320816 /nfs/dbraw/zinc/32/08/16/1138320816.db2.gz FNHFMEHHTNIGHY-KRWDZBQOSA-N 0 0 314.385 2.164 10 30 DEEERN N#Cc1ccccc1NC(=O)[C@@H]1NC(=O)O[C@H]1c1ccccc1 ZINC000074695057 185009850 /nfs/dbraw/zinc/00/98/50/185009850.db2.gz KRDFEYJMNXNSTN-CABCVRRESA-N 0 0 307.309 2.346 10 30 DEEERN C=CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](CCF)C1 ZINC000624816592 365558721 /nfs/dbraw/zinc/55/87/21/365558721.db2.gz UMXVMKIIXKRAOL-AWEZNQCLSA-N 0 0 317.368 2.091 10 30 DEEERN C=CCCCN(C)S(=O)(=O)Cc1ccc(C(=O)OC)cc1 ZINC000076854069 185046985 /nfs/dbraw/zinc/04/69/85/185046985.db2.gz DSYJZVGIMTZNHF-UHFFFAOYSA-N 0 0 311.403 2.201 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000076959301 185060955 /nfs/dbraw/zinc/06/09/55/185060955.db2.gz IJXANRHYWHNWHU-CHWSQXEVSA-N 0 0 309.410 2.252 10 30 DEEERN C=CC[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2cscn2)C1 ZINC000612128948 361752925 /nfs/dbraw/zinc/75/29/25/361752925.db2.gz CQILTTKIDLKFHC-RYUDHWBXSA-N 0 0 307.419 2.135 10 30 DEEERN C=CCCN(C)S(=O)(=O)C[C@H](OC)c1ccc(F)cc1 ZINC000625143798 365659312 /nfs/dbraw/zinc/65/93/12/365659312.db2.gz JPKVPUURZLMCHU-AWEZNQCLSA-N 0 0 301.383 2.351 10 30 DEEERN C=CCN(CCOC)S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625187710 365675216 /nfs/dbraw/zinc/67/52/16/365675216.db2.gz BNUPXTQUSBDNND-UHFFFAOYSA-N 0 0 305.346 2.096 10 30 DEEERN CC(=O)c1ccc(C#N)c(N2CCO[C@@]3(CCCOC3)C2)c1 ZINC000286555837 219052831 /nfs/dbraw/zinc/05/28/31/219052831.db2.gz KFHRGAGIRNZYEU-KRWDZBQOSA-N 0 0 300.358 2.147 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1cc2ccccc2[nH]1 ZINC000612681962 361892294 /nfs/dbraw/zinc/89/22/94/361892294.db2.gz LHNKTXRGQYEJNO-KRWDZBQOSA-N 0 0 313.401 2.298 10 30 DEEERN CN(Cc1cc(C#CCO)cs1)C(=O)[C@@]1(C)CCCS1 ZINC000164887368 197666018 /nfs/dbraw/zinc/66/60/18/197666018.db2.gz MTHIFRKCURSHNM-OAHLLOKOSA-N 0 0 309.456 2.336 10 30 DEEERN C=C(C)CN(CC)c1nnc([C@@H]2COCCO2)n1CC1CC1 ZINC000612885995 361941817 /nfs/dbraw/zinc/94/18/17/361941817.db2.gz FHCPLSNRLPTRQG-AWEZNQCLSA-N 0 0 306.410 2.178 10 30 DEEERN CCc1nnsc1C(=O)Nc1ccc(C)c(C#CCO)c1 ZINC000087456343 185225621 /nfs/dbraw/zinc/22/56/21/185225621.db2.gz CBOSFCDTVPDJKR-UHFFFAOYSA-N 0 0 301.371 2.005 10 30 DEEERN C[C@H](CC[NH2+]CC(=O)Nc1sccc1C#N)CCC(=O)[O-] ZINC000087676149 185230323 /nfs/dbraw/zinc/23/03/23/185230323.db2.gz QQTRUJGAAVHEBZ-JTQLQIEISA-N 0 0 309.391 2.039 10 30 DEEERN CN1CCN([C@@H](C#N)c2ccc(Br)cc2F)CC1 ZINC000088044918 185237928 /nfs/dbraw/zinc/23/79/28/185237928.db2.gz JFCCCNKOGKHGHX-ZDUSSCGKSA-N 0 0 312.186 2.400 10 30 DEEERN N#Cc1cccc([C@H]2CN(C(=O)C3CCC(=O)CC3)CCO2)c1 ZINC000328863515 231369416 /nfs/dbraw/zinc/36/94/16/231369416.db2.gz BCJLKHJJCWYSIS-QGZVFWFLSA-N 0 0 312.369 2.217 10 30 DEEERN C=CCC[C@@H](CO)NS(=O)(=O)CC(C)(C)C(F)(F)CC ZINC000625239043 365694022 /nfs/dbraw/zinc/69/40/22/365694022.db2.gz NLBRFACDEKZBAF-NSHDSACASA-N 0 0 313.410 2.304 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cnn(CC(C)C)c1C ZINC000613167785 362025292 /nfs/dbraw/zinc/02/52/92/362025292.db2.gz XQDKDCXVGAEWOB-AWEZNQCLSA-N 0 0 306.410 2.257 10 30 DEEERN CC#CCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000613121916 362008799 /nfs/dbraw/zinc/00/87/99/362008799.db2.gz KRZAOLUCHSIJPB-OLZOCXBDSA-N 0 0 323.190 2.061 10 30 DEEERN C=C[C@H](O)C(=O)N1CCc2cc(Br)cc(C)c2C1 ZINC000613257452 362059292 /nfs/dbraw/zinc/05/92/92/362059292.db2.gz GFEBPBMTJXXLIK-ZDUSSCGKSA-N 0 0 310.191 2.189 10 30 DEEERN CCc1nn(C)c(C(=O)Nc2ccc(Cl)c(C#N)c2)c1N ZINC000090150635 185283731 /nfs/dbraw/zinc/28/37/31/185283731.db2.gz HMWKXCJVLKJXSE-UHFFFAOYSA-N 0 0 303.753 2.342 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(N(C)C)c1C ZINC000613271031 362065283 /nfs/dbraw/zinc/06/52/83/362065283.db2.gz RBBJVFWLLIQUQA-OAHLLOKOSA-N 0 0 303.406 2.470 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1ccc2c(c1)ncn2C ZINC000625327645 365731373 /nfs/dbraw/zinc/73/13/73/365731373.db2.gz JCHCOKRNEYDURZ-UHFFFAOYSA-N 0 0 307.419 2.454 10 30 DEEERN O=C(NCC#CCOc1ccc2c(c1)OCO2)c1ccccc1 ZINC000090730728 185311649 /nfs/dbraw/zinc/31/16/49/185311649.db2.gz DYDIUTVBCXGBBQ-UHFFFAOYSA-N 0 0 309.321 2.228 10 30 DEEERN CCNC(=O)NCC#CCOc1cccc2c1OC(C)(C)C2 ZINC000090733682 185311654 /nfs/dbraw/zinc/31/16/54/185311654.db2.gz MGEMGPMPKRZQNE-UHFFFAOYSA-N 0 0 302.374 2.101 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000613552899 362144827 /nfs/dbraw/zinc/14/48/27/362144827.db2.gz PZPAVWZMEHLJJJ-ZNMIVQPWSA-N 0 0 310.438 2.166 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)C1 ZINC000625356079 365744625 /nfs/dbraw/zinc/74/46/25/365744625.db2.gz ZNSAOMTXLVBZGG-QWHCGFSZSA-N 0 0 309.435 2.367 10 30 DEEERN N#Cc1ccccc1C=CC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181393243 199289869 /nfs/dbraw/zinc/28/98/69/199289869.db2.gz XHBUSKOMOKRRBB-HVHJFMEUSA-N 0 0 307.357 2.443 10 30 DEEERN C=CCN1CC[C@@H](N(C)Cc2ccncc2Br)C1=O ZINC000625388750 365757847 /nfs/dbraw/zinc/75/78/47/365757847.db2.gz YRBMDLDGAZEZCV-CYBMUJFWSA-N 0 0 324.222 2.063 10 30 DEEERN CC(C)c1nnc2n1C[C@H](Nc1nc3ccccn3c1C#N)CC2 ZINC000181518315 199310282 /nfs/dbraw/zinc/31/02/82/199310282.db2.gz DBNQVDUGFWRRGY-GFCCVEGCSA-N 0 0 321.388 2.348 10 30 DEEERN CN(C)c1ccc(CN2CCN(C3CC3)[C@@H](C#N)C2)cc1F ZINC000371332865 529780250 /nfs/dbraw/zinc/78/02/50/529780250.db2.gz BJYQAEDXLJECIC-HNNXBMFYSA-N 0 0 302.397 2.064 10 30 DEEERN CN1CCOc2ccc(NC(=O)N[C@H]3CCC[C@H]3C#N)cc21 ZINC000408235735 529791904 /nfs/dbraw/zinc/79/19/04/529791904.db2.gz LNECBCCJZHCECS-AAEUAGOBSA-N 0 0 300.362 2.329 10 30 DEEERN CN(C)c1cccnc1CNC(=O)NCC1CCC(C#N)CC1 ZINC000358147435 529796202 /nfs/dbraw/zinc/79/62/02/529796202.db2.gz WPPUARWHEQGGRC-UHFFFAOYSA-N 0 0 315.421 2.277 10 30 DEEERN C=CCNC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000053512409 539342031 /nfs/dbraw/zinc/34/20/31/539342031.db2.gz GVPWXKTZBWODIS-UHFFFAOYSA-N 0 0 323.824 2.232 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1ccc(=O)[nH]c1 ZINC000614720901 362445530 /nfs/dbraw/zinc/44/55/30/362445530.db2.gz FLSBPKNYIPKUPN-UHFFFAOYSA-N 0 0 316.357 2.020 10 30 DEEERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(C#N)cn1 ZINC000107447584 185480886 /nfs/dbraw/zinc/48/08/86/185480886.db2.gz MAJLGMRFNWQGFN-JTQLQIEISA-N 0 0 308.297 2.453 10 30 DEEERN CC1(C)CO[C@H](c2ccccc2)CN1S(=O)(=O)CCCC#N ZINC000111338644 185584553 /nfs/dbraw/zinc/58/45/53/185584553.db2.gz QGASJJFTBKAZMB-HNNXBMFYSA-N 0 0 322.430 2.472 10 30 DEEERN Cc1ccc(N2CCN(C(=O)c3ccsc3)CC2)nc1C#N ZINC000615696331 362683018 /nfs/dbraw/zinc/68/30/18/362683018.db2.gz LSEPRQXMCZDEAA-UHFFFAOYSA-N 0 0 312.398 2.286 10 30 DEEERN N#CC1(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000115468788 185686573 /nfs/dbraw/zinc/68/65/73/185686573.db2.gz APDKAMVMUYYBQY-NEPJUHHUSA-N 0 0 306.312 2.257 10 30 DEEERN CCOC(=O)c1cn(C)nc1NC(=O)c1ccc(C#N)cc1C ZINC000183342982 199577735 /nfs/dbraw/zinc/57/77/35/199577735.db2.gz ACEHBKNGQOCUHY-UHFFFAOYSA-N 0 0 312.329 2.029 10 30 DEEERN C=CC[C@@H]1CCN(CC(=O)Nc2nnc(-c3ccco3)o2)C1 ZINC000625700616 365875253 /nfs/dbraw/zinc/87/52/53/365875253.db2.gz CZMMQGNWYSNCSY-LLVKDONJSA-N 0 0 302.334 2.166 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCOC[C@@H]1C ZINC000277636258 213651646 /nfs/dbraw/zinc/65/16/46/213651646.db2.gz ZELRZXXOBZXJJW-AAEUAGOBSA-N 0 0 306.337 2.384 10 30 DEEERN C=CCCS(=O)(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000121505324 185810383 /nfs/dbraw/zinc/81/03/83/185810383.db2.gz ANDHOCVUOUGQFX-NSHDSACASA-N 0 0 316.373 2.039 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc2c1OC(F)(F)O2 ZINC000616409234 362849541 /nfs/dbraw/zinc/84/95/41/362849541.db2.gz KWHZJLOHRRKPJV-ONGXEEELSA-N 0 0 311.284 2.329 10 30 DEEERN C=CCCCCCNC(=O)c1cn(CC2(CC)COC2)nn1 ZINC000616697636 362912020 /nfs/dbraw/zinc/91/20/20/362912020.db2.gz BONMDNSXSQBRBX-UHFFFAOYSA-N 0 0 306.410 2.181 10 30 DEEERN C=C[C@@](C)(O)C(=O)N1CCC(c2ccc3cccnc3n2)CC1 ZINC000616700673 362913547 /nfs/dbraw/zinc/91/35/47/362913547.db2.gz HYDABXSQBZDSHZ-GOSISDBHSA-N 0 0 311.385 2.273 10 30 DEEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000083741695 192380705 /nfs/dbraw/zinc/38/07/05/192380705.db2.gz LHUCSWHZXZVWNL-OAHLLOKOSA-N 0 0 324.388 2.135 10 30 DEEERN COc1cc(C#N)ccc1Nc1nc(Cl)nc(N(C)C)n1 ZINC000130379384 185961527 /nfs/dbraw/zinc/96/15/27/185961527.db2.gz QVFKNNYLXIIWES-UHFFFAOYSA-N 0 0 304.741 2.215 10 30 DEEERN C=CCn1nnnc1S[C@H](Cc1ccc(C)cc1)C(=O)OC ZINC000279991383 215296493 /nfs/dbraw/zinc/29/64/93/215296493.db2.gz RAVZNDABKGGIPY-CYBMUJFWSA-N 0 0 318.402 2.044 10 30 DEEERN C#CCn1ncc(N[C@H](C)CC(C)C)c(Br)c1=O ZINC000133622584 186000470 /nfs/dbraw/zinc/00/04/70/186000470.db2.gz XTGJBPNNXBIJFO-SNVBAGLBSA-N 0 0 312.211 2.486 10 30 DEEERN N#CCC[C@@H](NC(=O)N[C@@H]1CCCn2ncnc21)c1ccccc1 ZINC000133722154 186009945 /nfs/dbraw/zinc/00/99/45/186009945.db2.gz ZBTNRIPTNADWGW-HUUCEWRRSA-N 0 0 324.388 2.457 10 30 DEEERN C[C@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000147423442 186039482 /nfs/dbraw/zinc/03/94/82/186039482.db2.gz RORALGQXAWIHGY-AWEZNQCLSA-N 0 0 306.431 2.454 10 30 DEEERN N#Cc1ccccc1CS(=O)(=O)NCCCC(F)(F)F ZINC000148275557 186043619 /nfs/dbraw/zinc/04/36/19/186043619.db2.gz XQFHNNWKCICWNW-UHFFFAOYSA-N 0 0 306.309 2.320 10 30 DEEERN Cc1cc([N+](=O)[O-])cn(Cc2cn3ccccc3c2C#N)c1=O ZINC000155828624 186116190 /nfs/dbraw/zinc/11/61/90/186116190.db2.gz POKBDGJQIKOSHN-UHFFFAOYSA-N 0 0 308.297 2.238 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000617039840 363006809 /nfs/dbraw/zinc/00/68/09/363006809.db2.gz MJNTXOVMWSEIHX-NIOBXDJOSA-N 0 0 305.418 2.479 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(=O)n(CCOC)c1 ZINC000617038475 363006966 /nfs/dbraw/zinc/00/69/66/363006966.db2.gz XPSKHMJCDDWTHQ-HOCLYGCPSA-N 0 0 318.417 2.359 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cccc(O)c1 ZINC000617043061 363008180 /nfs/dbraw/zinc/00/81/80/363008180.db2.gz YZSUHBZRDIKXRV-BBRMVZONSA-N 0 0 316.401 2.373 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CNC(=O)c1cccc(O)c1 ZINC000617043064 363008245 /nfs/dbraw/zinc/00/82/45/363008245.db2.gz YZSUHBZRDIKXRV-XJKSGUPXSA-N 0 0 316.401 2.373 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N(C)CCc1ccc(F)cc1 ZINC000297516224 186709838 /nfs/dbraw/zinc/70/98/38/186709838.db2.gz MTPQFIPQNTTWEQ-UHFFFAOYSA-N 0 0 304.365 2.027 10 30 DEEERN C=CCSCCNC(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595491086 358463630 /nfs/dbraw/zinc/46/36/30/358463630.db2.gz HNDCFSIMMMCEIS-ZWNOBZJWSA-N 0 0 308.394 2.360 10 30 DEEERN C=CC[C@@H](C(=O)N1CC[C@@H](Cn2ccnn2)C1)c1ccccc1 ZINC000617257414 363066890 /nfs/dbraw/zinc/06/68/90/363066890.db2.gz QYFSLDXHTOARND-NVXWUHKLSA-N 0 0 310.401 2.487 10 30 DEEERN C[C@@H]1COC[C@H](C)N1CC(=O)Nc1ccccc1SCC#N ZINC000072686033 191215366 /nfs/dbraw/zinc/21/53/66/191215366.db2.gz TZMAEJNSXPTELL-BETUJISGSA-N 0 0 319.430 2.350 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCn3cncc3C1)CCC2 ZINC000328916621 539911637 /nfs/dbraw/zinc/91/16/37/539911637.db2.gz ANMNNEUZVAPGQF-KBPBESRZSA-N 0 0 313.405 2.485 10 30 DEEERN O=C(NCc1ccsc1Br)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000328684751 539909266 /nfs/dbraw/zinc/90/92/66/539909266.db2.gz FFAAALUXWMUAJK-BRPSZJMVSA-N 0 0 317.208 2.159 10 30 DEEERN C=CCN(C(=O)c1ccc(CNC(C)=O)s1)[C@H](C)COC ZINC000617579177 363195246 /nfs/dbraw/zinc/19/52/46/363195246.db2.gz ZDGGTSSVLOTJLL-LLVKDONJSA-N 0 0 310.419 2.047 10 30 DEEERN CCC[C@@H]1C[C@@H]1NC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000330342399 539938242 /nfs/dbraw/zinc/93/82/42/539938242.db2.gz AVPDQNGNFYDEND-XJFOESAGSA-N 0 0 314.451 2.131 10 30 DEEERN C[C@@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000176003509 198535556 /nfs/dbraw/zinc/53/55/56/198535556.db2.gz CHIGFNUFVZAZMM-GHMZBOCLSA-N 0 0 303.337 2.283 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C1=O ZINC000016641798 354039692 /nfs/dbraw/zinc/03/96/92/354039692.db2.gz OEXBDOHSWQEUKT-GFCCVEGCSA-N 0 0 312.369 2.341 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)CCC)cc2C1=O ZINC000015652721 354034629 /nfs/dbraw/zinc/03/46/29/354034629.db2.gz QFUHUHABGMHXKY-LLVKDONJSA-N 0 0 300.358 2.387 10 30 DEEERN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@H](C)O[C@@H](C)C1 ZINC000025414135 354073478 /nfs/dbraw/zinc/07/34/78/354073478.db2.gz ULRAJHKJIXBODI-BFKWJSRZSA-N 0 0 321.465 2.415 10 30 DEEERN CCNC(=S)N/N=C/c1cc(OC)ccc1Br ZINC000048572439 354354064 /nfs/dbraw/zinc/35/40/64/354354064.db2.gz KXWURHVJKIVYJX-VGOFMYFVSA-N 0 0 316.224 2.276 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000626392257 366171353 /nfs/dbraw/zinc/17/13/53/366171353.db2.gz GDKWJTXYTMMMTA-GFCCVEGCSA-N 0 0 323.418 2.025 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2ccc3c(c2)OCC(=O)N3C)C1 ZINC000626553193 366224972 /nfs/dbraw/zinc/22/49/72/366224972.db2.gz DIWAHCKWAFZJJE-LBPRGKRZSA-N 0 0 315.373 2.472 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000061190267 354623777 /nfs/dbraw/zinc/62/37/77/354623777.db2.gz YNNILEYSTHVSPB-UHFFFAOYSA-N 0 0 320.271 2.067 10 30 DEEERN Cn1cc(-c2cncc(C(=O)Nc3cc(C#N)ccn3)c2)cn1 ZINC000618137443 363392366 /nfs/dbraw/zinc/39/23/66/363392366.db2.gz BFJYOXMUNFKGIW-UHFFFAOYSA-N 0 0 304.313 2.001 10 30 DEEERN CCOC(=O)C1(O)CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000075053482 355066097 /nfs/dbraw/zinc/06/60/97/355066097.db2.gz WAHNWWYSXQQDJU-UHFFFAOYSA-N 0 0 308.765 2.106 10 30 DEEERN N#Cc1ccc(NC(=O)Cc2ccc3c(c2)NC(=O)CO3)cc1 ZINC000074965547 191396729 /nfs/dbraw/zinc/39/67/29/191396729.db2.gz DUVBOSMSFYANSW-UHFFFAOYSA-N 0 0 307.309 2.070 10 30 DEEERN Cn1cc(N2CCC[C@@H](Nc3snc(Cl)c3C#N)C2)cn1 ZINC000078367854 355257041 /nfs/dbraw/zinc/25/70/41/355257041.db2.gz WPVLEHLSDQYBCW-SECBINFHSA-N 0 0 322.825 2.483 10 30 DEEERN N#Cc1cccnc1N1CCN(c2nc(C3CC3)ns2)CC1 ZINC000080766064 355385257 /nfs/dbraw/zinc/38/52/57/355385257.db2.gz MOHXEVNJLQRWNO-UHFFFAOYSA-N 0 0 312.402 2.009 10 30 DEEERN N#Cc1cc(N2CC[C@H](N3CCOCC3)C2)nc2ccccc12 ZINC000109706284 283106962 /nfs/dbraw/zinc/10/69/62/283106962.db2.gz BLPCMSRYKQMDMF-HNNXBMFYSA-N 0 0 308.385 2.017 10 30 DEEERN C=CCCCC(=O)NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000087423415 355509577 /nfs/dbraw/zinc/50/95/77/355509577.db2.gz CXKDHJMWODVTSS-UHFFFAOYSA-N 0 0 300.362 2.248 10 30 DEEERN N#C[C@@H](NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)C1CC1 ZINC000108836364 355738735 /nfs/dbraw/zinc/73/87/35/355738735.db2.gz VGMBYCXRAVKULV-UYSNPLJNSA-N 0 0 317.433 2.270 10 30 DEEERN COC[C@@H]1CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)O1 ZINC000145078844 355906153 /nfs/dbraw/zinc/90/61/53/355906153.db2.gz LKJVCWCGQKSQDC-INIZCTEOSA-N 0 0 308.337 2.453 10 30 DEEERN CCN(CCC#N)C(=O)CN[C@@H](C)c1c(F)cccc1OC ZINC000179890970 356035793 /nfs/dbraw/zinc/03/57/93/356035793.db2.gz HWEHPBXBFMAKSL-LBPRGKRZSA-N 0 0 307.369 2.247 10 30 DEEERN CCOC(=O)C(C)(C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180284596 356047094 /nfs/dbraw/zinc/04/70/94/356047094.db2.gz YPJXPIYNCVSQQB-UHFFFAOYSA-N 0 0 300.358 2.313 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cccc(-n2ccnn2)c1 ZINC000179384040 356024387 /nfs/dbraw/zinc/02/43/87/356024387.db2.gz IGKQLEDAALGYGH-UHFFFAOYSA-N 0 0 310.279 2.458 10 30 DEEERN N#Cc1nccn1CC(=O)Cc1ccccc1Br ZINC000182105709 356108972 /nfs/dbraw/zinc/10/89/72/356108972.db2.gz LHSJGRVALRUWJO-UHFFFAOYSA-N 0 0 304.147 2.329 10 30 DEEERN N#Cc1cnc2c(F)cc(F)cc2c1NCCCn1ccnn1 ZINC000182231148 356115659 /nfs/dbraw/zinc/11/56/59/356115659.db2.gz YMNCTAQYAKNQJY-UHFFFAOYSA-N 0 0 314.299 2.478 10 30 DEEERN COC(=O)[C@@](C)(NC(=O)c1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000180928525 356066687 /nfs/dbraw/zinc/06/66/87/356066687.db2.gz RJTORHWVWSLHLZ-KRWDZBQOSA-N 0 0 312.369 2.313 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccccc1COCCC ZINC000182977085 356154625 /nfs/dbraw/zinc/15/46/25/356154625.db2.gz HVUOBXNXWIPARW-INIZCTEOSA-N 0 0 306.406 2.349 10 30 DEEERN N#Cc1ccc(CN2Cc3ccccc3C[C@H]2C(N)=O)cc1F ZINC000191918874 283144126 /nfs/dbraw/zinc/14/41/26/283144126.db2.gz DYNLPHTVDUAJFN-KRWDZBQOSA-N 0 0 309.344 2.110 10 30 DEEERN Cc1nc(CNC(=O)NC[C@@H]2CCCc3sc(C)nc32)no1 ZINC000328629334 356464257 /nfs/dbraw/zinc/46/42/57/356464257.db2.gz ORNGPPVAGNQNAV-JTQLQIEISA-N 0 0 321.406 2.267 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)CCc3ccco3)C2)n1 ZINC000328609099 356459795 /nfs/dbraw/zinc/45/97/95/356459795.db2.gz CGHXYVLXNPVEMI-ZDUSSCGKSA-N 0 0 316.361 2.490 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)c3ccc(C)nc3)C2)n1 ZINC000328611016 356459902 /nfs/dbraw/zinc/45/99/02/356459902.db2.gz JZCQMHAPRREYAM-CQSZACIVSA-N 0 0 313.361 2.282 10 30 DEEERN CNC(=O)c1ccc([C@@H]2CCCCN2c2ccc(C#N)cn2)n1C ZINC000328618354 356460932 /nfs/dbraw/zinc/46/09/32/356460932.db2.gz DQXAQLSDDNOYIZ-HNNXBMFYSA-N 0 0 323.400 2.383 10 30 DEEERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC(C)(C)OC1=O ZINC000328631430 356465084 /nfs/dbraw/zinc/46/50/84/356465084.db2.gz QXEBSZOAAWUQRO-NTZNESFSSA-N 0 0 321.377 2.031 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000081547883 192288230 /nfs/dbraw/zinc/28/82/30/192288230.db2.gz QZMNYWDMWWKELZ-HNNXBMFYSA-N 0 0 311.341 2.317 10 30 DEEERN C=CCOCCCNC(=O)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000618517566 363513488 /nfs/dbraw/zinc/51/34/88/363513488.db2.gz ZLNBMEPKVSWYRA-UHFFFAOYSA-N 0 0 313.300 2.260 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000618517402 363513932 /nfs/dbraw/zinc/51/39/32/363513932.db2.gz JVGMAAGBLGWRKJ-UHFFFAOYSA-N 0 0 302.374 2.358 10 30 DEEERN C=CCOCCCNC(=O)C(C)(C)c1ccc2c(c1)OCCO2 ZINC000618522887 363515856 /nfs/dbraw/zinc/51/58/56/363515856.db2.gz XKDLPRMBHVAGFG-UHFFFAOYSA-N 0 0 319.401 2.444 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(Br)c(O)c1 ZINC000618526394 363517349 /nfs/dbraw/zinc/51/73/49/363517349.db2.gz NWQHDAQDBKCJAM-UHFFFAOYSA-N 0 0 314.179 2.477 10 30 DEEERN CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(C#N)cc1N ZINC000085916769 192540229 /nfs/dbraw/zinc/54/02/29/192540229.db2.gz KFRRKUWVWGVBKL-UHFFFAOYSA-N 0 0 321.324 2.103 10 30 DEEERN C=CCC1(c2nc(-c3c([N+](=O)[O-])ncn3C)no2)CCOCC1 ZINC000351285217 356647646 /nfs/dbraw/zinc/64/76/46/356647646.db2.gz FOTCYZKWKHRBSG-UHFFFAOYSA-N 0 0 319.321 2.003 10 30 DEEERN C=CCOCCNC(=O)Nc1cccc(-c2nccn2C)c1 ZINC000365013193 356666183 /nfs/dbraw/zinc/66/61/83/356666183.db2.gz GPOVZCAXZBSBAJ-UHFFFAOYSA-N 0 0 300.362 2.411 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2CCCc3c2cnn3C)CCOCC1 ZINC000578639716 356849059 /nfs/dbraw/zinc/84/90/59/356849059.db2.gz DKLAEEFEAJXKPN-CQSZACIVSA-N 0 0 303.406 2.287 10 30 DEEERN C=CCCCCCNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)OC ZINC000579972234 357062121 /nfs/dbraw/zinc/06/21/21/357062121.db2.gz RIFQNZNSGDZXGC-UONOGXRCSA-N 0 0 317.451 2.384 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1ncnc2c1cnn2-c1ccncc1 ZINC000580769015 357078522 /nfs/dbraw/zinc/07/85/22/357078522.db2.gz FEWJKYZWPAZISA-WFASDCNBSA-N 0 0 322.372 2.214 10 30 DEEERN C=CCOc1ccc(CC(=O)N2C[C@@H]3COC[C@]3(C)C2)cc1 ZINC000618699363 363576487 /nfs/dbraw/zinc/57/64/87/363576487.db2.gz MGIGIIHTMNDUML-QAPCUYQASA-N 0 0 301.386 2.289 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[C@@](C)(CC)C1 ZINC000581530569 357201543 /nfs/dbraw/zinc/20/15/43/357201543.db2.gz ALXXCNSUDQNVGG-MRXNPFEDSA-N 0 0 315.425 2.194 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000581648802 357221367 /nfs/dbraw/zinc/22/13/67/357221367.db2.gz LVSOPIKOWIAJQU-NEPJUHHUSA-N 0 0 319.785 2.409 10 30 DEEERN CC(C)CC[C@H](C)NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000585683198 357345935 /nfs/dbraw/zinc/34/59/35/357345935.db2.gz AXVWKKKIFJDMHK-LBPRGKRZSA-N 0 0 319.380 2.254 10 30 DEEERN Cc1noc(C(C)(C)NC(=O)NCc2ccc(C#N)cc2F)n1 ZINC000588339550 357406998 /nfs/dbraw/zinc/40/69/98/357406998.db2.gz FMTLTNJHOUXBCW-UHFFFAOYSA-N 0 0 317.324 2.123 10 30 DEEERN Cc1cc(C#N)nc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1 ZINC000587121295 357380289 /nfs/dbraw/zinc/38/02/89/357380289.db2.gz IJIMDKXBNJWJTG-UHFFFAOYSA-N 0 0 321.384 2.185 10 30 DEEERN Cc1cc(C)c(C#N)c(NC[C@@H]2CCO[C@H]2c2cnn(C)c2)n1 ZINC000591193143 357687791 /nfs/dbraw/zinc/68/77/91/357687791.db2.gz TYVUZJSUGAWMOP-XJKSGUPXSA-N 0 0 311.389 2.493 10 30 DEEERN Cc1nc(N2CCC[C@H]2c2ccc(N(C)C)nn2)ccc1C#N ZINC000591611692 357742473 /nfs/dbraw/zinc/74/24/73/357742473.db2.gz BQZOSRQZQKYTMH-HNNXBMFYSA-N 0 0 308.389 2.459 10 30 DEEERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2ccc(C#N)cc2C)C1 ZINC000591682316 357750740 /nfs/dbraw/zinc/75/07/40/357750740.db2.gz CISQMGOWECZTLM-HIFRSBDPSA-N 0 0 310.357 2.192 10 30 DEEERN C=CCC1(C(=O)NCc2ccc([S@@](C)=O)cc2)CCOCC1 ZINC000591770113 357758618 /nfs/dbraw/zinc/75/86/18/357758618.db2.gz BRJYPOCNVXHOIZ-JOCHJYFZSA-N 0 0 321.442 2.413 10 30 DEEERN C=CCOc1ccc(C(=O)NC[C@H](CC)C(=O)OC)cc1OC ZINC000592873155 357966658 /nfs/dbraw/zinc/96/66/58/357966658.db2.gz YRFIQCYMTCTNOH-LBPRGKRZSA-N 0 0 321.373 2.189 10 30 DEEERN C=C[C@H](C(=O)OC)N1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC000593077210 358002410 /nfs/dbraw/zinc/00/24/10/358002410.db2.gz OZMIQRUOAZERLG-FPMFFAJLSA-N 0 0 319.405 2.175 10 30 DEEERN C=CCCSCCNS(=O)(=O)CC1(C#N)CCCC1 ZINC000594815527 358342359 /nfs/dbraw/zinc/34/23/59/358342359.db2.gz UWIUEZSZBGCLMD-UHFFFAOYSA-N 0 0 302.465 2.299 10 30 DEEERN C=CCCSCCNC(=O)C(=O)Nc1cc(C)cnc1C ZINC000595116399 358390367 /nfs/dbraw/zinc/39/03/67/358390367.db2.gz SSZZTUNIBNRLQW-UHFFFAOYSA-N 0 0 307.419 2.062 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595158176 358396553 /nfs/dbraw/zinc/39/65/53/358396553.db2.gz HJZTYBMHJXDUMX-SFHVURJKSA-N 0 0 317.433 2.343 10 30 DEEERN C=CC[C@H]1N(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)CCCC1(C)C ZINC000595183640 358399329 /nfs/dbraw/zinc/39/93/29/358399329.db2.gz PLMVQCSIDWZWQL-KDOFPFPSSA-N 0 0 317.433 2.342 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000596622345 358725947 /nfs/dbraw/zinc/72/59/47/358725947.db2.gz COYVALKHHCESAE-HNNXBMFYSA-N 0 0 318.373 2.273 10 30 DEEERN CC(=O)N(C)c1ccc(NC(=O)CC2(C#N)CCOCC2)cc1 ZINC000596970622 358796767 /nfs/dbraw/zinc/79/67/67/358796767.db2.gz IJDRTBKWRQJHKO-UHFFFAOYSA-N 0 0 315.373 2.318 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cccnc1C(=O)OC(C)(C)C ZINC000596990429 358800897 /nfs/dbraw/zinc/80/08/97/358800897.db2.gz ZOYWXQGZPDMMGM-NSHDSACASA-N 0 0 321.377 2.095 10 30 DEEERN C=CCOC[C@@H](NCc1ccc(C2(C#N)CC2)cc1)C(=O)OC ZINC000597117618 358828253 /nfs/dbraw/zinc/82/82/53/358828253.db2.gz PPOYEJTYHCBDPT-MRXNPFEDSA-N 0 0 314.385 2.076 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C(=O)OC)c(C)c1 ZINC000597133879 358832929 /nfs/dbraw/zinc/83/29/29/358832929.db2.gz AOMUJBOVFMTJAS-OAHLLOKOSA-N 0 0 318.373 2.191 10 30 DEEERN C=CCn1c(Cc2ccccc2O)nnc1N(C)C[C@H](C)C#N ZINC000597283635 358878668 /nfs/dbraw/zinc/87/86/68/358878668.db2.gz ZSLWRKNAYZNNKK-CYBMUJFWSA-N 0 0 311.389 2.356 10 30 DEEERN C=CCC[C@H](NC(=O)c1onc2c1CCCC2)C(=O)OCC ZINC000597731397 358992089 /nfs/dbraw/zinc/99/20/89/358992089.db2.gz AWGSKJBEQQGXAA-ZDUSSCGKSA-N 0 0 306.362 2.181 10 30 DEEERN C=CCC[C@@H](NC(=O)c1cc(F)c(C#N)c(F)c1)C(=O)OCC ZINC000597732614 358993183 /nfs/dbraw/zinc/99/31/83/358993183.db2.gz KPGXJNHTFSNIJG-CQSZACIVSA-N 0 0 322.311 2.464 10 30 DEEERN C=CCOCCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000598206407 359121644 /nfs/dbraw/zinc/12/16/44/359121644.db2.gz GGIXVBGLJNTGLU-UHFFFAOYSA-N 0 0 303.318 2.399 10 30 DEEERN C=CCCSCCNC(=O)CCc1cccc(C(=O)NC)c1 ZINC000597968990 359054266 /nfs/dbraw/zinc/05/42/66/359054266.db2.gz UAXZESOQQQHOJK-UHFFFAOYSA-N 0 0 320.458 2.404 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000618936258 363643902 /nfs/dbraw/zinc/64/39/02/363643902.db2.gz JAKMOYHULVVZBM-FVQBIDKESA-N 0 0 305.422 2.229 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(OCCOC)cc1Cl ZINC000186369773 199949420 /nfs/dbraw/zinc/94/94/20/199949420.db2.gz RHBFKEGDHPRCMW-LLVKDONJSA-N 0 0 313.781 2.032 10 30 DEEERN C=CCSCCNC(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000598978221 359373636 /nfs/dbraw/zinc/37/36/36/359373636.db2.gz KMUXIHOSXWDFKF-HNNXBMFYSA-N 0 0 306.431 2.346 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C#N)ccc1OCC ZINC000598809503 359332169 /nfs/dbraw/zinc/33/21/69/359332169.db2.gz HBZQVNFRORMYLT-HNNXBMFYSA-N 0 0 315.373 2.366 10 30 DEEERN C=CCCCS(=O)(=O)NC[C@@H](C(=O)OC)C1CCCCC1 ZINC000599447995 359501105 /nfs/dbraw/zinc/50/11/05/359501105.db2.gz MWTFAUCETHSEIA-CQSZACIVSA-N 0 0 317.451 2.242 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000599374985 359482488 /nfs/dbraw/zinc/48/24/88/359482488.db2.gz PCFLYNXIXBYRIT-GFCCVEGCSA-N 0 0 310.375 2.323 10 30 DEEERN C=CCN1CC[C@@H](N(C)[C@H](CC(C)C)C(=O)OC(C)(C)C)C1=O ZINC000599395900 359488189 /nfs/dbraw/zinc/48/81/89/359488189.db2.gz DUSIYTITMBKQSY-HUUCEWRRSA-N 0 0 324.465 2.462 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2ncc(C(=O)OCC)n2C)C1 ZINC000599787467 359598474 /nfs/dbraw/zinc/59/84/74/359598474.db2.gz UONFYKRCKDUJQG-LLVKDONJSA-N 0 0 306.366 2.027 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599995583 359631276 /nfs/dbraw/zinc/63/12/76/359631276.db2.gz RWVLJEGZKBADFZ-UHFFFAOYSA-N 0 0 305.334 2.252 10 30 DEEERN C=CCOc1ccc(CN2CCO[C@]3(CCOC3)C2)cc1OC ZINC000187544975 200125512 /nfs/dbraw/zinc/12/55/12/200125512.db2.gz VDRFEVOVRCNOKO-GOSISDBHSA-N 0 0 319.401 2.251 10 30 DEEERN N#CC1(C(=O)NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)CCCCC1 ZINC000600614184 359784497 /nfs/dbraw/zinc/78/44/97/359784497.db2.gz MXJOWNXARBIVOX-DZGCQCFKSA-N 0 0 316.405 2.468 10 30 DEEERN C=CCCSCCN1C(=O)N[C@@H](C[C@@H]2CCCOC2)C1=O ZINC000600704584 359803536 /nfs/dbraw/zinc/80/35/36/359803536.db2.gz WTBCWIWVOIZYPY-STQMWFEESA-N 0 0 312.435 2.033 10 30 DEEERN Cc1ccc(-c2cnc(N3CCC[C@H](O)C3)nc2)cc1CC#N ZINC000600795230 359831433 /nfs/dbraw/zinc/83/14/33/359831433.db2.gz WAJIKZGNHRKSDO-KRWDZBQOSA-N 0 0 308.385 2.479 10 30 DEEERN C=CCn1c(C)nnc1S[C@@H](C)c1nc(C(=O)OC)co1 ZINC000601071178 359912662 /nfs/dbraw/zinc/91/26/62/359912662.db2.gz XBTAFIDTDOFMOK-QMMMGPOBSA-N 0 0 308.363 2.400 10 30 DEEERN C=CCN1C(=O)N=NC1S[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000601078614 359914151 /nfs/dbraw/zinc/91/41/51/359914151.db2.gz NDYXCIQEWQQMLA-JTQLQIEISA-N 0 0 311.407 2.382 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2nc(CCC)cs2)C1 ZINC000627733611 366603502 /nfs/dbraw/zinc/60/35/02/366603502.db2.gz YQIMAUSTYWZVCG-NSHDSACASA-N 0 0 307.419 2.459 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2c(C)cc(C)nc2C)C1 ZINC000627732906 366603716 /nfs/dbraw/zinc/60/37/16/366603716.db2.gz GRBNIBRVKBJQLF-AWEZNQCLSA-N 0 0 301.390 2.370 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc3nc(C)cn3c2)C1 ZINC000627733839 366603762 /nfs/dbraw/zinc/60/37/62/366603762.db2.gz FLEQXMYTXANWIR-CYBMUJFWSA-N 0 0 312.373 2.006 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000627736002 366604291 /nfs/dbraw/zinc/60/42/91/366604291.db2.gz JWGIQMVZRDFABD-ZDUSSCGKSA-N 0 0 302.374 2.448 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(F)c(F)c2)C1 ZINC000627735043 366604431 /nfs/dbraw/zinc/60/44/31/366604431.db2.gz JUTMBUBXFYIXTE-SECBINFHSA-N 0 0 312.291 2.467 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc(OC)ccc2OC)C1 ZINC000627735867 366604666 /nfs/dbraw/zinc/60/46/66/366604666.db2.gz FODWUTFOFDFFSJ-LBPRGKRZSA-N 0 0 318.373 2.067 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc3nc(C)oc3c2)C1 ZINC000627736231 366605003 /nfs/dbraw/zinc/60/50/03/366605003.db2.gz QRKHKDCAGUHIDD-LBPRGKRZSA-N 0 0 313.357 2.499 10 30 DEEERN CC(=O)N1CCN(c2ncc(C#N)c3ccsc32)[C@H](C)C1 ZINC000601130919 359933146 /nfs/dbraw/zinc/93/31/46/359933146.db2.gz QVIDERLZJWKCRX-SNVBAGLBSA-N 0 0 300.387 2.225 10 30 DEEERN C=CCCn1cc(CNc2nc(C)cc(C)c2[N+](=O)[O-])nn1 ZINC000601179114 359954528 /nfs/dbraw/zinc/95/45/28/359954528.db2.gz LWEPRPWZAMEJEE-UHFFFAOYSA-N 0 0 302.338 2.386 10 30 DEEERN C=C(C)C[C@H](Nc1ncncc1Br)C(=O)OC ZINC000601227784 359973267 /nfs/dbraw/zinc/97/32/67/359973267.db2.gz SJOMRTCUCCXNQR-VIFPVBQESA-N 0 0 300.156 2.159 10 30 DEEERN C=C(CC)CNC(=O)N1CCC(c2cc(C(=O)OC)on2)CC1 ZINC000601607521 360086186 /nfs/dbraw/zinc/08/61/86/360086186.db2.gz QPOHGNYPVNZITE-UHFFFAOYSA-N 0 0 321.377 2.316 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1[nH]c(C)c(C(C)=O)c1C)C(=O)OC ZINC000601771565 360140346 /nfs/dbraw/zinc/14/03/46/360140346.db2.gz IPTAYEQLYRJSAI-GFCCVEGCSA-N 0 0 306.362 2.072 10 30 DEEERN C=C(C)C[C@H](NC(=O)COc1ccc(C)c(C)c1)C(=O)OC ZINC000601771133 360140424 /nfs/dbraw/zinc/14/04/24/360140424.db2.gz HTHYUHNDDYENMX-HNNXBMFYSA-N 0 0 305.374 2.306 10 30 DEEERN C=C(C)C[C@@H](NC(=O)COc1ccccc1CC)C(=O)OC ZINC000601772735 360141403 /nfs/dbraw/zinc/14/14/03/360141403.db2.gz PZDLQBPEJYGMLQ-CQSZACIVSA-N 0 0 305.374 2.252 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1F)C(=O)OC ZINC000601777604 360143653 /nfs/dbraw/zinc/14/36/53/360143653.db2.gz HWZPQAZPBVSCRN-DGCLKSJQSA-N 0 0 309.337 2.217 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc2c(C)nn(C)c2s1)C(=O)OC ZINC000601780398 360144588 /nfs/dbraw/zinc/14/45/88/360144588.db2.gz XQVWXGXWZYSUON-NSHDSACASA-N 0 0 321.402 2.181 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCCc1nc(C)cs1)C(=O)OC ZINC000601783228 360146767 /nfs/dbraw/zinc/14/67/67/360146767.db2.gz VJEDHNKNXPOWHI-LBPRGKRZSA-N 0 0 310.419 2.398 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)OC ZINC000601783535 360147594 /nfs/dbraw/zinc/14/75/94/360147594.db2.gz AFHCPFFHVUZHJH-CYBMUJFWSA-N 0 0 306.318 2.141 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(NC(C)=O)c(F)c1)C(=O)OC ZINC000601783607 360147668 /nfs/dbraw/zinc/14/76/68/360147668.db2.gz XDRFIECKLYGQNA-AWEZNQCLSA-N 0 0 322.336 2.022 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCSCc1ccccn1)C(=O)OC ZINC000601785695 360148936 /nfs/dbraw/zinc/14/89/36/360148936.db2.gz NPKCQENPWSNWTA-CQSZACIVSA-N 0 0 322.430 2.329 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cc1cn(C)c2ccccc12)C(=O)OC ZINC000601786052 360149503 /nfs/dbraw/zinc/14/95/03/360149503.db2.gz PAPNGGXFTFLQTJ-HNNXBMFYSA-N 0 0 314.385 2.345 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CSc1cccc(OC)c1)C(=O)OC ZINC000601787594 360150507 /nfs/dbraw/zinc/15/05/07/360150507.db2.gz ZNSTUHCMNPLYLG-CQSZACIVSA-N 0 0 323.414 2.411 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(=O)[nH]c(C(C)C)c1)C(=O)OC ZINC000601788037 360150511 /nfs/dbraw/zinc/15/05/11/360150511.db2.gz OUOKAOSDXOKWIQ-CYBMUJFWSA-N 0 0 306.362 2.148 10 30 DEEERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC#Cc2ccc(F)cc2)C1 ZINC000189336655 200384309 /nfs/dbraw/zinc/38/43/09/200384309.db2.gz XOSFVPIHGIXWMU-JKSUJKDBSA-N 0 0 315.348 2.331 10 30 DEEERN C=C[C@](C)(O)CC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000601834459 360168919 /nfs/dbraw/zinc/16/89/19/360168919.db2.gz YGSVJAUWQUSXIV-VBQJREDUSA-N 0 0 303.358 2.229 10 30 DEEERN C=CCn1c(-c2ncccn2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC000601853534 360175081 /nfs/dbraw/zinc/17/50/81/360175081.db2.gz BRHBFMGDLZSNQI-QWHCGFSZSA-N 0 0 309.377 2.050 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000619177045 363726049 /nfs/dbraw/zinc/72/60/49/363726049.db2.gz AUHJFGXBZKSCKJ-IXDOHACOSA-N 0 0 322.449 2.265 10 30 DEEERN C=CCC[C@H](NCc1c2c(nn1C)CCCC2)C(=O)OCC ZINC000602679566 360493849 /nfs/dbraw/zinc/49/38/49/360493849.db2.gz HGYUOGGBIJFSSV-HNNXBMFYSA-N 0 0 305.422 2.286 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)[C@H](O)C1CCOCC1 ZINC000605426366 360969253 /nfs/dbraw/zinc/96/92/53/360969253.db2.gz JSDZBMIIGWVFEU-QGZVFWFLSA-N 0 0 303.402 2.031 10 30 DEEERN C=CCCCN(C)C(=O)Nc1ccc(S(=O)(=O)NC)cc1 ZINC000608311972 361196390 /nfs/dbraw/zinc/19/63/90/361196390.db2.gz WZMSPVZKNXECMB-UHFFFAOYSA-N 0 0 311.407 2.025 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)NC(C)=O ZINC000608847922 361272466 /nfs/dbraw/zinc/27/24/66/361272466.db2.gz NEGCYPQFNAVDGH-UHFFFAOYSA-N 0 0 319.361 2.024 10 30 DEEERN C=CC[C@H]1CCCN(C(=O)COCc2ccc(OC)nc2)C1 ZINC000628062599 366706559 /nfs/dbraw/zinc/70/65/59/366706559.db2.gz LIQKCJQQMFMYJM-AWEZNQCLSA-N 0 0 304.390 2.422 10 30 DEEERN N#CCN1CCC(NC(=O)N2CC3(CC3)c3ccccc32)CC1 ZINC000610100719 361358610 /nfs/dbraw/zinc/35/86/10/361358610.db2.gz PQIPEWRZXVVYKT-UHFFFAOYSA-N 0 0 310.401 2.236 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2[nH+]ccn2c1 ZINC000610149747 361363244 /nfs/dbraw/zinc/36/32/44/361363244.db2.gz TWDUNZCXORIBIC-UHFFFAOYSA-N 0 0 312.354 2.315 10 30 DEEERN COCCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000610387519 361391634 /nfs/dbraw/zinc/39/16/34/361391634.db2.gz ZJMQOMZLDBIJSZ-GXTWGEPZSA-N 0 0 308.328 2.457 10 30 DEEERN COc1cccc([C@@H]2CN(C(=O)c3ccnc(C#N)c3)CCO2)c1 ZINC000193579537 201078957 /nfs/dbraw/zinc/07/89/57/201078957.db2.gz SPZIFDVAHMOQSL-KRWDZBQOSA-N 0 0 323.352 2.176 10 30 DEEERN C[C@@H](NC(=O)C1(C#N)CCCCC1)c1nnc2n1CCCC2 ZINC000135417940 296039127 /nfs/dbraw/zinc/03/91/27/296039127.db2.gz XTRGEVXDXWJJDH-GFCCVEGCSA-N 0 0 301.394 2.266 10 30 DEEERN N#Cc1cc(C(=O)NC[C@H]2COC3(CCCCCC3)O2)ccn1 ZINC000193768869 201120022 /nfs/dbraw/zinc/12/00/22/201120022.db2.gz CUZDALMVGMTZBC-HNNXBMFYSA-N 0 0 315.373 2.149 10 30 DEEERN N#Cc1cccc(CC(=O)NCCCN2CCCCCC2=O)c1 ZINC000610519206 361414944 /nfs/dbraw/zinc/41/49/44/361414944.db2.gz UYUJTFYYSHWDCR-UHFFFAOYSA-N 0 0 313.401 2.010 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(C)(C)NC(=O)COC(C)(C)C ZINC000628311956 366805940 /nfs/dbraw/zinc/80/59/40/366805940.db2.gz IKCDSUIEHFZXIW-UHFFFAOYSA-N 0 0 312.454 2.415 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1nnn(Cc2cc(C)no2)c1C ZINC000628312503 366806270 /nfs/dbraw/zinc/80/62/70/366806270.db2.gz DXIRPPKBJJSPQG-UHFFFAOYSA-N 0 0 317.393 2.263 10 30 DEEERN C=CC(C)(C)CCNC(=O)Cc1cccc(NS(C)(=O)=O)c1 ZINC000628316324 366807352 /nfs/dbraw/zinc/80/73/52/366807352.db2.gz QYDIKBQMPQHYDF-UHFFFAOYSA-N 0 0 324.446 2.319 10 30 DEEERN Cn1ccnc1C[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1ccccc1 ZINC000610493700 361408533 /nfs/dbraw/zinc/40/85/33/361408533.db2.gz MTRTYEIQHLBBHW-OAHLLOKOSA-N 0 0 319.368 2.334 10 30 DEEERN N#Cc1ccc(CNC(=O)c2cccc3[nH]c(=O)oc32)c(F)c1 ZINC000611030305 361515817 /nfs/dbraw/zinc/51/58/17/361515817.db2.gz CUGFQMUEWVKZLM-UHFFFAOYSA-N 0 0 311.272 2.474 10 30 DEEERN CC(C)(C)OC(=O)C[C@@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC000611242039 361559185 /nfs/dbraw/zinc/55/91/85/361559185.db2.gz SYAKUORADDQTOW-LBPRGKRZSA-N 0 0 302.378 2.296 10 30 DEEERN C[C@@H](NC(=O)N1CCSC[C@H]1CCO)c1cccc(C#N)c1 ZINC000611396285 361591018 /nfs/dbraw/zinc/59/10/18/361591018.db2.gz YLSREAOKHOYBQM-IUODEOHRSA-N 0 0 319.430 2.129 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](CO)CC1CC1 ZINC000611295621 361574343 /nfs/dbraw/zinc/57/43/43/361574343.db2.gz GETRECACOLCYPN-DOTOQJQBSA-N 0 0 316.401 2.239 10 30 DEEERN CCN(C[C@H]1CCOC1)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000611555548 361630110 /nfs/dbraw/zinc/63/01/10/361630110.db2.gz IUPPYIZRWNCNDD-CXAGYDPISA-N 0 0 324.421 2.133 10 30 DEEERN CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(C2CCC2)n1C ZINC000611614549 361643725 /nfs/dbraw/zinc/64/37/25/361643725.db2.gz BHDZQSIHMQHRRD-OAHLLOKOSA-N 0 0 321.450 2.229 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC(C)(C)C(C)(C)O ZINC000611926888 361706089 /nfs/dbraw/zinc/70/60/89/361706089.db2.gz QQFRJACOBUVMDJ-KGLIPLIRSA-N 0 0 324.465 2.151 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000611971394 361716325 /nfs/dbraw/zinc/71/63/25/361716325.db2.gz KKBJFFXAHROVDO-SUJAAXHWSA-N 0 0 322.449 2.167 10 30 DEEERN C=CCCC1(CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CCCC1 ZINC000612031767 361727489 /nfs/dbraw/zinc/72/74/89/361727489.db2.gz VERYYJBHGQHAKG-KFWWJZLASA-N 0 0 320.433 2.065 10 30 DEEERN Cn1cc(C(=O)N[C@@]2(C#N)CCSC2)c2cc(F)ccc21 ZINC000619541767 363820803 /nfs/dbraw/zinc/82/08/03/363820803.db2.gz WMPTYLQSWFIJBY-OAHLLOKOSA-N 0 0 303.362 2.446 10 30 DEEERN C[C@@H](C(=O)Nc1cccc2c1OC(C)(C)C2)n1cnc(C#N)n1 ZINC000619599571 363837934 /nfs/dbraw/zinc/83/79/34/363837934.db2.gz MPAIHVOIHARVAI-JTQLQIEISA-N 0 0 311.345 2.063 10 30 DEEERN N#CC1CCC(CNC(=O)NCCCCn2ccnc2)CC1 ZINC000619657402 363849366 /nfs/dbraw/zinc/84/93/66/363849366.db2.gz CPKJCOYAWWNVLG-UHFFFAOYSA-N 0 0 303.410 2.292 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000620313967 364014101 /nfs/dbraw/zinc/01/41/01/364014101.db2.gz MEBAZUNKIFREBO-IATRGZMQSA-N 0 0 306.431 2.150 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CN1c2ccccc2OCC1=O ZINC000620317023 364014892 /nfs/dbraw/zinc/01/48/92/364014892.db2.gz CZPFIJCFJWRXNB-OKILXGFUSA-N 0 0 312.369 2.122 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000620314808 364015028 /nfs/dbraw/zinc/01/50/28/364015028.db2.gz RIVUSPHJQCUYBV-SDDRHHMPSA-N 0 0 316.323 2.107 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000620317637 364015051 /nfs/dbraw/zinc/01/50/51/364015051.db2.gz VCPXSBGPTOHYQD-OKILXGFUSA-N 0 0 305.399 2.413 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000620130609 363964598 /nfs/dbraw/zinc/96/45/98/363964598.db2.gz LFIKZFAVCGKMPN-HZPDHXFCSA-N 0 0 301.386 2.289 10 30 DEEERN C=CCc1cc(C(=O)N2CCC3(COC3)C2)cc(OC)c1OC ZINC000620298852 364012928 /nfs/dbraw/zinc/01/29/28/364012928.db2.gz XHWWXBFZNRFNJO-UHFFFAOYSA-N 0 0 317.385 2.295 10 30 DEEERN C=C(CNC(=O)[C@@H]1C[C@@H]1C(C)C)CNC(=O)[C@@H]1C[C@H]1C(C)C ZINC000620749892 364141252 /nfs/dbraw/zinc/14/12/52/364141252.db2.gz QWTWNDWJHAUOQA-QKPAOTATSA-N 0 0 306.450 2.359 10 30 DEEERN C=C(C)[C@H](CC(=O)NCC1(CC(N)=O)CCCCC1)OCC ZINC000620700946 364129247 /nfs/dbraw/zinc/12/92/47/364129247.db2.gz ZAFHSBGSKQZGCU-AWEZNQCLSA-N 0 0 310.438 2.300 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2ccc(OC)c(OCCO)c2)C1 ZINC000628492520 366866892 /nfs/dbraw/zinc/86/68/92/366866892.db2.gz WMUOULKIOVCILA-CYBMUJFWSA-N 0 0 305.374 2.105 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000628483498 366864033 /nfs/dbraw/zinc/86/40/33/366864033.db2.gz 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CC[C@@H](C)[C@@H](C)NS(=O)(=O)c1cccc(C#CCCO)c1 ZINC000049106135 183713334 /nfs/dbraw/zinc/71/33/34/183713334.db2.gz QUHSVWLLCGVWMT-ZIAGYGMSSA-N 0 0 309.431 2.133 10 30 DEEERN N#Cc1c2c(sc1NC(=O)Cc1csc(N)n1)CCC2 ZINC000055273036 183975912 /nfs/dbraw/zinc/97/59/12/183975912.db2.gz KSGRHFVIBYBNGX-UHFFFAOYSA-N 0 0 304.400 2.328 10 30 DEEERN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1/N=C/c1ccccc1Cl ZINC000059425605 184138265 /nfs/dbraw/zinc/13/82/65/184138265.db2.gz HITJUDSHLZGTSW-NRNJXQDRSA-N 0 0 300.745 2.481 10 30 DEEERN C[C@H](NS(=O)(=O)c1ccccc1C#CCO)c1ccsc1 ZINC000061372061 184169435 /nfs/dbraw/zinc/16/94/35/184169435.db2.gz XVQMQAFOIACKAT-LBPRGKRZSA-N 0 0 321.423 2.131 10 30 DEEERN CC1CC(=O)N(c2cc(C#CCCO)ccc2Cl)C(=O)C1 ZINC000061837673 184189546 /nfs/dbraw/zinc/18/95/46/184189546.db2.gz IPAUZKRSBDWCEO-UHFFFAOYSA-N 0 0 305.761 2.363 10 30 DEEERN CN(c1cccc(C#N)c1)S(=O)(=O)c1ccc(F)c(N)c1 ZINC000061979706 184199824 /nfs/dbraw/zinc/19/98/24/184199824.db2.gz QQJWSBHXJXKSSM-UHFFFAOYSA-N 0 0 305.334 2.105 10 30 DEEERN Cc1nc(Cl)sc1S(=O)(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000061890346 184193235 /nfs/dbraw/zinc/19/32/35/184193235.db2.gz FLUVSQUYCOCPSZ-HTQZYQBOSA-N 0 0 305.812 2.076 10 30 DEEERN N#Cc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000063911976 184290570 /nfs/dbraw/zinc/29/05/70/184290570.db2.gz TXYUQVUNIDSSON-UHFFFAOYSA-N 0 0 323.355 2.006 10 30 DEEERN Cc1ccc(C(=O)NC[C@@H]2CCCS2)c(C#CCCO)c1 ZINC000161330356 197485949 /nfs/dbraw/zinc/48/59/49/197485949.db2.gz SVEXRCADWCKMMG-HNNXBMFYSA-N 0 0 303.427 2.354 10 30 DEEERN CSCC[C@H](C)N(C)C(=O)c1cc(C#CCO)ccc1F ZINC000162041578 197539021 /nfs/dbraw/zinc/53/90/21/197539021.db2.gz STYKOUJBGQEBGF-LBPRGKRZSA-N 0 0 309.406 2.383 10 30 DEEERN O=c1c2ccccc2sn1-c1ncc(C#CCCO)s1 ZINC000159198040 197335124 /nfs/dbraw/zinc/33/51/24/197335124.db2.gz DMJFVFNJAZVTQG-UHFFFAOYSA-N 0 0 302.380 2.243 10 30 DEEERN C[C@H](C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1)n1cnc(C#N)n1 ZINC000540607055 285121477 /nfs/dbraw/zinc/12/14/77/285121477.db2.gz KVIUZMWDGGNVSA-YIYPIFLZSA-N 0 0 301.394 2.186 10 30 DEEERN C#CC[C@H](C)Nc1cnn(CC(C)C)c(=O)c1Br ZINC000158634526 197289855 /nfs/dbraw/zinc/28/98/55/197289855.db2.gz KBGTXYDAIDOZMM-JTQLQIEISA-N 0 0 312.211 2.486 10 30 DEEERN CC#CCCNS(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000158273852 197258888 /nfs/dbraw/zinc/25/88/88/197258888.db2.gz QWRDCJJHVZYJDW-UHFFFAOYSA-N 0 0 307.202 2.267 10 30 DEEERN O=C(NCC(F)(F)F)Nc1ccc(C#CCCO)cc1F ZINC000158092629 197243060 /nfs/dbraw/zinc/24/30/60/197243060.db2.gz MWYPNIQUYMYVTM-UHFFFAOYSA-N 0 0 304.243 2.243 10 30 DEEERN COc1ccc(Cn2ncc(Cl)c(Cl)c2=O)cc1C#N ZINC000158195705 197252322 /nfs/dbraw/zinc/25/23/22/197252322.db2.gz FMPQYVBVFNPEBI-UHFFFAOYSA-N 0 0 310.140 2.479 10 30 DEEERN CSCCCCNS(=O)(=O)c1ccc(F)cc1C#N ZINC000157745865 197212237 /nfs/dbraw/zinc/21/22/37/197212237.db2.gz RRTXGEDDPZZZFQ-UHFFFAOYSA-N 0 0 302.396 2.119 10 30 DEEERN N#C[C@@]1(Cc2ccc([N+](=O)[O-])cc2Cl)CCS(=O)(=O)C1 ZINC000157577771 197199287 /nfs/dbraw/zinc/19/92/87/197199287.db2.gz AQZZQEFAAGZDQT-LBPRGKRZSA-N 0 0 314.750 2.119 10 30 DEEERN CO[C@H](C)c1noc(CN2CCC[C@]3(CCCCO3)[C@@H]2C#N)n1 ZINC000369312029 533129630 /nfs/dbraw/zinc/12/96/30/533129630.db2.gz KEVGGIGSQGMQPA-DVOMOZLQSA-N 0 0 320.393 2.204 10 30 DEEERN CSC(C)(C)CNC(=O)c1ccc(C#CCCO)c(F)c1 ZINC000157171879 197167523 /nfs/dbraw/zinc/16/75/23/197167523.db2.gz HQXKVEGVJKFICT-UHFFFAOYSA-N 0 0 309.406 2.431 10 30 DEEERN N#CC1(C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)CCCC1 ZINC000156848280 197144920 /nfs/dbraw/zinc/14/49/20/197144920.db2.gz XOBFDSUKUASWGG-OAHLLOKOSA-N 0 0 317.433 2.368 10 30 DEEERN Cc1cccc(CNS(=O)(=O)c2cccc(Cl)c2C#N)n1 ZINC000156632978 197128794 /nfs/dbraw/zinc/12/87/94/197128794.db2.gz MGXISQLYLQSITP-UHFFFAOYSA-N 0 0 321.789 2.394 10 30 DEEERN O=C(NC[C@H]1CCCCS1)c1ccc(C#CCO)c(F)c1 ZINC000156562614 197123784 /nfs/dbraw/zinc/12/37/84/197123784.db2.gz SZBLARFLOVKGQJ-CQSZACIVSA-N 0 0 307.390 2.185 10 30 DEEERN COc1cnccc1[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000189147146 533149625 /nfs/dbraw/zinc/14/96/25/533149625.db2.gz JFBCTJATWTYEOT-NSHDSACASA-N 0 0 317.370 2.001 10 30 DEEERN COc1cnccc1[C@H](C)NS(=O)(=O)c1ccccc1C#N ZINC000189161228 533150202 /nfs/dbraw/zinc/15/02/02/533150202.db2.gz JEKIDTPAQTVJNE-NSHDSACASA-N 0 0 317.370 2.001 10 30 DEEERN COc1ccc(C#CCO)cc1NC(=O)[C@@H]1CCCCS1 ZINC000156272329 197100548 /nfs/dbraw/zinc/10/05/48/197100548.db2.gz LGFBPMFDRFUMQU-HNNXBMFYSA-N 0 0 305.399 2.263 10 30 DEEERN CCOC(=O)c1ccc(NC(=O)Cc2cccc(C#N)c2)cn1 ZINC000543006372 285266055 /nfs/dbraw/zinc/26/60/55/285266055.db2.gz JTLGMCLQBIDDCY-UHFFFAOYSA-N 0 0 309.325 2.311 10 30 DEEERN C=C(C)COCCNC(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000152835024 196827389 /nfs/dbraw/zinc/82/73/89/196827389.db2.gz LBXHYTGJWBPCRC-INIZCTEOSA-N 0 0 320.389 2.068 10 30 DEEERN CNC(=S)N/N=C1/c2ccccc2N(Cc2ccccc2)C1=O ZINC000104990124 256580380 /nfs/dbraw/zinc/58/03/80/256580380.db2.gz DERNAQZGXKIKJO-CYVLTUHYSA-N 0 0 324.409 2.031 10 30 DEEERN N#Cc1cccc(C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC2)c1 ZINC000247657092 257118504 /nfs/dbraw/zinc/11/85/04/257118504.db2.gz PUJYTPPDVOAZKV-IAGOWNOFSA-N 0 0 323.396 2.174 10 30 DEEERN Cc1cc(N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c(C#N)cn1 ZINC000521395878 257240091 /nfs/dbraw/zinc/24/00/91/257240091.db2.gz XACIXLWXSOKLRE-GRDNDAEWSA-N 0 0 301.390 2.425 10 30 DEEERN N#C[C@@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)C1CC1 ZINC000108835892 224571508 /nfs/dbraw/zinc/57/15/08/224571508.db2.gz VHMMBQSXXWPOEM-HZPDHXFCSA-N 0 0 300.358 2.276 10 30 DEEERN N#Cc1ccccc1OCc1cccc(C(=O)N2CC(CO)C2)c1 ZINC000122845521 195509569 /nfs/dbraw/zinc/50/95/69/195509569.db2.gz ZDLQXHONJYUFCN-UHFFFAOYSA-N 0 0 322.364 2.202 10 30 DEEERN C[C@H]1CCO[C@H]1C(=O)Nc1cc(Cl)ccc1C#CCCO ZINC000124456984 195643098 /nfs/dbraw/zinc/64/30/98/195643098.db2.gz JLUCIJXQSDXOOW-XHDPSFHLSA-N 0 0 307.777 2.437 10 30 DEEERN CC[C@@H](CSC)N(C)C(=O)c1ccc(C#CCO)cc1F ZINC000124504345 195648460 /nfs/dbraw/zinc/64/84/60/195648460.db2.gz FLRORDBHFDSNOE-ZDUSSCGKSA-N 0 0 309.406 2.383 10 30 DEEERN Cc1cc(NCc2ccc(S(N)(=O)=O)cc2)ccc1C#N ZINC000126324181 195829407 /nfs/dbraw/zinc/82/94/07/195829407.db2.gz AIHYKLZJBOGAHH-UHFFFAOYSA-N 0 0 301.371 2.126 10 30 DEEERN Cc1cc(F)ccc1C(=O)NCc1sccc1C#CCO ZINC000127433260 195876784 /nfs/dbraw/zinc/87/67/84/195876784.db2.gz MFBWWZBNZURRBT-UHFFFAOYSA-N 0 0 303.358 2.469 10 30 DEEERN COC(=O)C12CCC(C(=O)N[C@@H]3CCC[C@@H]3C#N)(CC1)CC2 ZINC000408020376 533262789 /nfs/dbraw/zinc/26/27/89/533262789.db2.gz HMYXVDZBGAWHCP-QJRTVWDNSA-N 0 0 304.390 2.308 10 30 DEEERN CO[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[C@@H]1C ZINC000187759894 533454535 /nfs/dbraw/zinc/45/45/35/533454535.db2.gz GCNUVZDHNURLJW-XJKSGUPXSA-N 0 0 302.374 2.015 10 30 DEEERN COC(=O)NCC#Cc1c[nH]c2cncc(Br)c12 ZINC000725246384 542770175 /nfs/dbraw/zinc/77/01/75/542770175.db2.gz XPDWLACCRYZFBQ-UHFFFAOYSA-N 0 0 308.135 2.033 10 30 DEEERN N#Cc1ccnc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c1 ZINC000357425996 133077405 /nfs/dbraw/zinc/07/74/05/133077405.db2.gz NMLIDHUAPREWIL-CQSZACIVSA-N 0 0 320.352 2.483 10 30 DEEERN COc1ccccc1N1CC[C@H](CNc2ccncc2C#N)C1 ZINC000376882569 133310843 /nfs/dbraw/zinc/31/08/43/133310843.db2.gz SOIRDMDCQXIVIH-CQSZACIVSA-N 0 0 308.385 2.322 10 30 DEEERN N#Cc1cc(S(=O)(=O)N2CC[C@H](c3ccco3)C2)ccc1F ZINC000377623511 133337561 /nfs/dbraw/zinc/33/75/61/133337561.db2.gz JIOXKNZVJGLOBN-NSHDSACASA-N 0 0 320.345 2.469 10 30 DEEERN Cc1cc(C(=O)NCc2cncs2)sc1C#CCCO ZINC000128573546 195975705 /nfs/dbraw/zinc/97/57/05/195975705.db2.gz XCERBEUQRODCPO-UHFFFAOYSA-N 0 0 306.412 2.177 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)C[C@@H]1CCCOC1 ZINC000107655392 144627447 /nfs/dbraw/zinc/62/74/47/144627447.db2.gz HBWGWCVOZBXBCK-KGLIPLIRSA-N 0 0 302.374 2.211 10 30 DEEERN C[C@@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CCC1=O ZINC000186563733 144984875 /nfs/dbraw/zinc/98/48/75/144984875.db2.gz FFGPHBAIFADMCE-GFCCVEGCSA-N 0 0 302.399 2.229 10 30 DEEERN COc1cnccc1[C@@H](C)NC(=O)COc1ccccc1C#N ZINC000189659514 145031775 /nfs/dbraw/zinc/03/17/75/145031775.db2.gz LLRSOQJJZIVCEH-GFCCVEGCSA-N 0 0 311.341 2.218 10 30 DEEERN Cc1cc(C)n(-c2ccc(NC(=O)c3ccnc(C#N)c3)cn2)n1 ZINC000192646480 145076684 /nfs/dbraw/zinc/07/66/84/145076684.db2.gz RZVQLNIWILBCSS-UHFFFAOYSA-N 0 0 318.340 2.403 10 30 DEEERN Cc1nc2ccccc2n1CCCNC(=O)c1ccnc(C#N)c1 ZINC000192683227 145077238 /nfs/dbraw/zinc/07/72/38/145077238.db2.gz PJGSUMLDOXEYIG-UHFFFAOYSA-N 0 0 319.368 2.432 10 30 DEEERN Cc1nc(C)n(-c2ccccc2NC(=O)c2ccnc(C#N)c2)n1 ZINC000193567094 145087284 /nfs/dbraw/zinc/08/72/84/145087284.db2.gz ZQOCETVFZPWDLB-UHFFFAOYSA-N 0 0 318.340 2.403 10 30 DEEERN CC[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2C#N)C[C@@H](C)O1 ZINC000247503778 145139854 /nfs/dbraw/zinc/13/98/54/145139854.db2.gz IPCKQCAJQVHWNB-VNHYZAJKSA-N 0 0 302.374 2.351 10 30 DEEERN C[C@H](C(=O)NC[C@@H]1CCCCC(F)(F)C1)n1cnc(C#N)n1 ZINC000358778152 147203113 /nfs/dbraw/zinc/20/31/13/147203113.db2.gz CBOWHGFCVXBYTM-GHMZBOCLSA-N 0 0 311.336 2.043 10 30 DEEERN Cc1nc[nH]c1CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000359508582 147339494 /nfs/dbraw/zinc/33/94/94/147339494.db2.gz HAACHKXQABGXPY-INIZCTEOSA-N 0 0 312.373 2.310 10 30 DEEERN Cc1noc(C)c1CO[C@@H]1CCN(c2nc(C)cc(C#N)n2)C1 ZINC000367325370 147744178 /nfs/dbraw/zinc/74/41/78/147744178.db2.gz COFVUXGGPCFUER-CQSZACIVSA-N 0 0 313.361 2.057 10 30 DEEERN CCc1noc([C@@]2(O)CCN(c3cc(Cl)ccc3C#N)C2)n1 ZINC000370122612 147986298 /nfs/dbraw/zinc/98/62/98/147986298.db2.gz OHEKJQIWCRDKGY-OAHLLOKOSA-N 0 0 318.764 2.255 10 30 DEEERN N#Cc1ccc(C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375567345 148387314 /nfs/dbraw/zinc/38/73/14/148387314.db2.gz URZLIOPUJMYWDA-AWEZNQCLSA-N 0 0 308.341 2.448 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408259432 148582312 /nfs/dbraw/zinc/58/23/12/148582312.db2.gz LHHPHEZLMVSQOL-QGZVFWFLSA-N 0 0 312.373 2.001 10 30 DEEERN N=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1nonc1N ZINC000003178271 401722466 /nfs/dbraw/zinc/72/24/66/401722466.db2.gz CLKCIYOGUHMMEK-VXLYETTFSA-N 0 0 322.328 2.393 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)Cn1cncn1 ZINC000112214921 401733745 /nfs/dbraw/zinc/73/37/45/401733745.db2.gz BRFLPFKIQKZKOM-AWEZNQCLSA-N 0 0 305.426 2.445 10 30 DEEERN N#CCCCS(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000111339355 401712116 /nfs/dbraw/zinc/71/21/16/401712116.db2.gz BLKQFSQPFDHFIS-CYBMUJFWSA-N 0 0 322.386 2.186 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126983431 401715779 /nfs/dbraw/zinc/71/57/79/401715779.db2.gz CELKWMGWCREZNX-QGZVFWFLSA-N 0 0 318.417 2.190 10 30 DEEERN CC(C)c1nc2c(n1C)CCN(C(=O)c1ccc(C#N)cn1)C2 ZINC000112665828 401752999 /nfs/dbraw/zinc/75/29/99/401752999.db2.gz XJYFRNBVEYPTQO-UHFFFAOYSA-N 0 0 309.373 2.009 10 30 DEEERN N#Cc1ccccc1OCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128056827 401760848 /nfs/dbraw/zinc/76/08/48/401760848.db2.gz XCEHYEXMYOZUFQ-CRAIPNDOSA-N 0 0 314.385 2.091 10 30 DEEERN C=CC1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000128667184 401786924 /nfs/dbraw/zinc/78/69/24/401786924.db2.gz SIMCQPVFMAXCGI-UHFFFAOYSA-N 0 0 304.415 2.230 10 30 DEEERN CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1nccs1 ZINC000078004521 401837945 /nfs/dbraw/zinc/83/79/45/401837945.db2.gz WMGKDXSJYFCEDX-LBPRGKRZSA-N 0 0 307.400 2.444 10 30 DEEERN C=CCCO[C@H](C)C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116670426 401856415 /nfs/dbraw/zinc/85/64/15/401856415.db2.gz DHFZRXCOAJXIGM-OAHLLOKOSA-N 0 0 317.433 2.456 10 30 DEEERN C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccc3c2OCC(=O)N3)C1 ZINC000116798728 401859978 /nfs/dbraw/zinc/85/99/78/401859978.db2.gz LPXACLHPXSVNFL-APPDUMDISA-N 0 0 313.357 2.220 10 30 DEEERN C=CC[C@H](C)NC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000116861821 401861925 /nfs/dbraw/zinc/86/19/25/401861925.db2.gz FYVYFDVIEANVML-LRDDRELGSA-N 0 0 304.390 2.343 10 30 DEEERN C=CC[C@H](C)NC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000116934309 401864657 /nfs/dbraw/zinc/86/46/57/401864657.db2.gz YTJQMKLBOLZSRE-NWDGAFQWSA-N 0 0 310.419 2.415 10 30 DEEERN C=CCOc1ccccc1CNCC(=O)NCc1ccco1 ZINC000030642164 401864866 /nfs/dbraw/zinc/86/48/66/401864866.db2.gz XQJVPQBEJIQAJB-UHFFFAOYSA-N 0 0 300.358 2.250 10 30 DEEERN N#C[C@H]1CN(C(=O)N[C@H]2CCCc3cc(F)ccc32)CCO1 ZINC000119100619 401925827 /nfs/dbraw/zinc/92/58/27/401925827.db2.gz FJDHEWVMCNHXFL-ZFWWWQNUSA-N 0 0 303.337 2.137 10 30 DEEERN CC(C)c1csc([C@H](C#N)C(=O)c2cc(C(N)=O)cn2C)n1 ZINC000088817906 401934692 /nfs/dbraw/zinc/93/46/92/401934692.db2.gz GPMQGHKSDIFGDS-SNVBAGLBSA-N 0 0 316.386 2.194 10 30 DEEERN N#CC1(NC(=O)C[C@H]2CCOc3ccccc32)CCOCC1 ZINC000117807086 401884684 /nfs/dbraw/zinc/88/46/84/401884684.db2.gz FCJGZMGATYINIU-CYBMUJFWSA-N 0 0 300.358 2.132 10 30 DEEERN CCCCOc1ncccc1CNC(=O)c1cc(C#N)cn1C ZINC000081053482 401893843 /nfs/dbraw/zinc/89/38/43/401893843.db2.gz LKDBLOZQYTYNBP-UHFFFAOYSA-N 0 0 312.373 2.401 10 30 DEEERN C#CCOc1ccccc1CN1Cc2ccccc2C[C@H]1C(N)=O ZINC000119824938 401968253 /nfs/dbraw/zinc/96/82/53/401968253.db2.gz RLXPLKQDOYXWKN-SFHVURJKSA-N 0 0 320.392 2.111 10 30 DEEERN C=CCCO[C@@H](C)C(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 ZINC000089200150 401938777 /nfs/dbraw/zinc/93/87/77/401938777.db2.gz GQCYHUNFWCAYDE-LBPRGKRZSA-N 0 0 311.403 2.318 10 30 DEEERN C=CCN(Cc1nc2cc(F)ccc2o1)[C@H]1CCS(=O)(=O)C1 ZINC000151258332 402026327 /nfs/dbraw/zinc/02/63/27/402026327.db2.gz WIVYLQGXDRMIJW-LBPRGKRZSA-N 0 0 324.377 2.142 10 30 DEEERN C[C@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CC[C@@H]1C ZINC000122850107 402097538 /nfs/dbraw/zinc/09/75/38/402097538.db2.gz UBALTOOTDNSEDZ-KBPBESRZSA-N 0 0 306.431 2.310 10 30 DEEERN C=CCOc1ccccc1C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000151861754 402061630 /nfs/dbraw/zinc/06/16/30/402061630.db2.gz VAYVRKWUOMMKHO-UHFFFAOYSA-N 0 0 321.340 2.479 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](NC(=O)C(C)C)C1 ZINC000101552292 402148008 /nfs/dbraw/zinc/14/80/08/402148008.db2.gz WACUAMGJFQPVEY-CVEARBPZSA-N 0 0 323.481 2.036 10 30 DEEERN C[C@@H](CC(=O)NC1(C#N)CCCC1)NC(=O)C1CCCCC1 ZINC000067152310 402153614 /nfs/dbraw/zinc/15/36/14/402153614.db2.gz PFNDTTAWLPMWSH-ZDUSSCGKSA-N 0 0 305.422 2.414 10 30 DEEERN N#Cc1nccn1Cc1cc2c(cc1Br)OCCO2 ZINC000123950721 402155658 /nfs/dbraw/zinc/15/56/58/402155658.db2.gz UOEBIGMBUTVMDW-UHFFFAOYSA-N 0 0 320.146 2.337 10 30 DEEERN Cn1nccc1C1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000124660290 402190404 /nfs/dbraw/zinc/19/04/04/402190404.db2.gz RQPLQORVQMCRBD-UHFFFAOYSA-N 0 0 324.384 2.077 10 30 DEEERN N#CC1(NC(=O)CNC(=O)c2cccc(Cl)c2)CCCC1 ZINC000067508761 402161451 /nfs/dbraw/zinc/16/14/51/402161451.db2.gz QAWMUMLLCWYQAO-UHFFFAOYSA-N 0 0 305.765 2.022 10 30 DEEERN C=C[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000153872334 402176335 /nfs/dbraw/zinc/17/63/35/402176335.db2.gz FTCZCUKDNNUXBP-UKRRQHHQSA-N 0 0 318.392 2.298 10 30 DEEERN C=CCCCN(C)C(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000125360642 402228137 /nfs/dbraw/zinc/22/81/37/402228137.db2.gz YUPUKIRUYFLIAA-GFCCVEGCSA-N 0 0 307.360 2.478 10 30 DEEERN Cc1nc(C)c(C#N)c(SCc2nsc(N(C)C)n2)n1 ZINC000125487884 402235438 /nfs/dbraw/zinc/23/54/38/402235438.db2.gz WZUIZHJGRHDRQU-UHFFFAOYSA-N 0 0 306.420 2.175 10 30 DEEERN C#CCCCCNC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000155034941 402242500 /nfs/dbraw/zinc/24/25/00/402242500.db2.gz HYBRZUAULOXKLP-AWEZNQCLSA-N 0 0 304.394 2.146 10 30 DEEERN CC(C)[C@](C)(C#N)NC(=O)CN1CCO[C@H](c2ccsc2)C1 ZINC000125737818 402247502 /nfs/dbraw/zinc/24/75/02/402247502.db2.gz RKIQSNIAWOJVPI-HOCLYGCPSA-N 0 0 321.446 2.176 10 30 DEEERN CCCN(C[C@H]1CCCCO1)S(=O)(=O)CCCCC#N ZINC000068916987 402209110 /nfs/dbraw/zinc/20/91/10/402209110.db2.gz ZMRQKOOUISYRFB-CQSZACIVSA-N 0 0 302.440 2.291 10 30 DEEERN N#C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C1CC1 ZINC000108842934 402263179 /nfs/dbraw/zinc/26/31/79/402263179.db2.gz CQIJWCJVELMIAS-DGCLKSJQSA-N 0 0 317.776 2.111 10 30 DEEERN Cn1c(NC(=O)C2(C#N)CCOCC2)nc2cc(Cl)ccc21 ZINC000109141700 402269090 /nfs/dbraw/zinc/26/90/90/402269090.db2.gz VHYHTTSJRUKZTI-UHFFFAOYSA-N 0 0 318.764 2.486 10 30 DEEERN CN(Cc1nc2ccccc2n1C)C(=O)c1cc(C#N)cn1C ZINC000176055339 402273975 /nfs/dbraw/zinc/27/39/75/402273975.db2.gz AFBFMEGMVFLXSU-UHFFFAOYSA-N 0 0 307.357 2.056 10 30 DEEERN C#CCC(C)(C)C(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000184784588 402299525 /nfs/dbraw/zinc/29/95/25/402299525.db2.gz LIQUOEGDEGYNHY-HIFRSBDPSA-N 0 0 302.418 2.038 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc2nc(OC)ccc2c1 ZINC000184809582 402301264 /nfs/dbraw/zinc/30/12/64/402301264.db2.gz QPPSYWXIESILGY-ZDUSSCGKSA-N 0 0 301.346 2.302 10 30 DEEERN N#Cc1ccc(OC2CN(C[C@H](O)Cc3ccccc3)C2)cc1 ZINC000158570998 402308795 /nfs/dbraw/zinc/30/87/95/402308795.db2.gz HGNXBNIYMVHNOE-QGZVFWFLSA-N 0 0 308.381 2.225 10 30 DEEERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)C(C)(C)C#N ZINC000176537334 402317811 /nfs/dbraw/zinc/31/78/11/402317811.db2.gz CBFDZWGFCGFKFD-CYBMUJFWSA-N 0 0 321.446 2.130 10 30 DEEERN C=CCNC(=O)c1ccc(NCc2c(C)nn(C)c2OC)cc1 ZINC000185439712 402352465 /nfs/dbraw/zinc/35/24/65/402352465.db2.gz LYHJBLYJUAZPCW-UHFFFAOYSA-N 0 0 314.389 2.265 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000185513328 402358128 /nfs/dbraw/zinc/35/81/28/402358128.db2.gz NEURDPXMVSOTJI-GOEBONIOSA-N 0 0 302.418 2.404 10 30 DEEERN Clc1ccc(C#CCN2CCN(c3cnccn3)CC2)cc1 ZINC000177020646 402360236 /nfs/dbraw/zinc/36/02/36/402360236.db2.gz SDIBUHQWFRKXLL-UHFFFAOYSA-N 0 0 312.804 2.304 10 30 DEEERN C#CCC(C)(C)C(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000185591746 402363590 /nfs/dbraw/zinc/36/35/90/402363590.db2.gz HXHFDVFYAZLYPR-OAHLLOKOSA-N 0 0 302.422 2.183 10 30 DEEERN N#Cc1ccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160875289 402363720 /nfs/dbraw/zinc/36/37/20/402363720.db2.gz SKHFWDBOTOPLNT-AEFFLSMTSA-N 0 0 313.401 2.395 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCCc1ccc(OC)cc1OC ZINC000185690004 402369242 /nfs/dbraw/zinc/36/92/42/402369242.db2.gz NJXGNGCWDSGIJW-AWEZNQCLSA-N 0 0 307.390 2.080 10 30 DEEERN C=CC[C@H](CO)NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1 ZINC000185761974 402374842 /nfs/dbraw/zinc/37/48/42/402374842.db2.gz XQCOXBSIYAMGDZ-VXGBXAGGSA-N 0 0 319.430 2.410 10 30 DEEERN COc1ccccc1N1CC[C@@H](NC(=O)C2(C#N)CCCC2)C1 ZINC000161137384 402374889 /nfs/dbraw/zinc/37/48/89/402374889.db2.gz DJVHGYYFQFSRLN-CQSZACIVSA-N 0 0 313.401 2.474 10 30 DEEERN CNc1cc(N2CCC[C@H]2CNc2nc(C)ccc2C#N)ncn1 ZINC000161212118 402377745 /nfs/dbraw/zinc/37/77/45/402377745.db2.gz MAIXSPDTZOGJMF-AWEZNQCLSA-N 0 0 323.404 2.174 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(Br)ccc1F ZINC000185805144 402378403 /nfs/dbraw/zinc/37/84/03/402378403.db2.gz DBTBBOYYOXXOST-SECBINFHSA-N 0 0 302.143 2.255 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC000185811907 402379468 /nfs/dbraw/zinc/37/94/68/402379468.db2.gz LOMIJOVCYBTEMJ-LBPRGKRZSA-N 0 0 309.797 2.002 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C1(c2ccccc2Cl)CCOCC1 ZINC000185879707 402385307 /nfs/dbraw/zinc/38/53/07/402385307.db2.gz SFCWRZDQKQJYTO-ZDUSSCGKSA-N 0 0 323.820 2.441 10 30 DEEERN C#C[C@H](C)NC(=O)N1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000185983453 402395040 /nfs/dbraw/zinc/39/50/40/402395040.db2.gz NIGVAPPJSXCQRS-STQMWFEESA-N 0 0 302.374 2.224 10 30 DEEERN C=C(Br)CNc1nc(N)cc(Br)n1 ZINC000161661540 402395213 /nfs/dbraw/zinc/39/52/13/402395213.db2.gz NNQQUWLRLPHEKP-UHFFFAOYSA-N 0 0 307.977 2.142 10 30 DEEERN N#C[C@H](NC(=O)C1(c2cccc(F)c2)CCOCC1)C1CC1 ZINC000161901890 402402887 /nfs/dbraw/zinc/40/28/87/402402887.db2.gz HKBSGXLWQGXWFN-HNNXBMFYSA-N 0 0 302.349 2.292 10 30 DEEERN C=C(C)COCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000162305145 402415997 /nfs/dbraw/zinc/41/59/97/402415997.db2.gz OZTLYCXGNPEULA-UHFFFAOYSA-N 0 0 303.318 2.399 10 30 DEEERN N#Cc1cccc(CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000162654867 402427315 /nfs/dbraw/zinc/42/73/15/402427315.db2.gz SWFLPRIVZSJTGG-FUHWJXTLSA-N 0 0 313.401 2.395 10 30 DEEERN C=CCOCCCC(=O)N1CCCN(c2ccccn2)CC1 ZINC000186399133 402428713 /nfs/dbraw/zinc/42/87/13/402428713.db2.gz DHSYCZBFXVFOFU-UHFFFAOYSA-N 0 0 303.406 2.103 10 30 DEEERN CCCC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)OC ZINC000186501864 402436884 /nfs/dbraw/zinc/43/68/84/402436884.db2.gz XAQKRPYNBRNQCF-GXTWGEPZSA-N 0 0 318.373 2.174 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000185932904 402390405 /nfs/dbraw/zinc/39/04/05/402390405.db2.gz NKTQGGQRBFLFCO-GFCCVEGCSA-N 0 0 318.348 2.467 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccccc1C[S@](C)=O ZINC000185934278 402390677 /nfs/dbraw/zinc/39/06/77/402390677.db2.gz PASHKBBSOGUJOY-NRFANRHFSA-N 0 0 301.371 2.028 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000185948354 402391948 /nfs/dbraw/zinc/39/19/48/402391948.db2.gz BJFLXLIODIGJBR-CQSZACIVSA-N 0 0 313.357 2.281 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)C#Cc2ccccc2)C12CCOCC2 ZINC000187149264 402485246 /nfs/dbraw/zinc/48/52/46/402485246.db2.gz FHGGROCTEFVFJB-DLBZAZTESA-N 0 0 313.397 2.129 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000178540483 402509358 /nfs/dbraw/zinc/50/93/58/402509358.db2.gz BZJITQKEIKYEOL-UHFFFAOYSA-N 0 0 314.389 2.199 10 30 DEEERN O=C(/C=C/c1cnc(N2CCOCC2)s1)c1cccnc1 ZINC000171044246 402552410 /nfs/dbraw/zinc/55/24/10/402552410.db2.gz XTOPGBOQAKKTOX-ONEGZZNKSA-N 0 0 301.371 2.271 10 30 DEEERN C=CCC[C@@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)c1ccccc1 ZINC000189720308 402554653 /nfs/dbraw/zinc/55/46/53/402554653.db2.gz SSBCIRZWTQMWAY-GOEBONIOSA-N 0 0 321.442 2.382 10 30 DEEERN N#Cc1ccccc1-c1ccc(CNC(=O)N2CC(CO)C2)cc1 ZINC000189779514 402557859 /nfs/dbraw/zinc/55/78/59/402557859.db2.gz XAGYLZWFTQDQKV-UHFFFAOYSA-N 0 0 321.380 2.359 10 30 DEEERN C=CCn1c(S[C@@H]2CCNC2=O)nnc1-c1ccoc1C ZINC000178998687 402563421 /nfs/dbraw/zinc/56/34/21/402563421.db2.gz IJSBEFMVTXGFNC-LLVKDONJSA-N 0 0 304.375 2.013 10 30 DEEERN CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCCC1(C)C ZINC000170847133 402532757 /nfs/dbraw/zinc/53/27/57/402532757.db2.gz WRCRZPVWYHKJDG-UHFFFAOYSA-N 0 0 315.373 2.296 10 30 DEEERN Cn1cc([C@H]2CCCN2CC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000171413180 402585546 /nfs/dbraw/zinc/58/55/46/402585546.db2.gz HMGMJKVEBVUJAI-MRXNPFEDSA-N 0 0 309.373 2.067 10 30 DEEERN N#CC1(C(=O)N[C@H]2CCCc3c(O)cccc32)CCOCC1 ZINC000190286510 402589929 /nfs/dbraw/zinc/58/99/29/402589929.db2.gz KKPIPKYUXMBORB-AWEZNQCLSA-N 0 0 300.358 2.206 10 30 DEEERN C[C@H](CC#N)NC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000179474081 402591328 /nfs/dbraw/zinc/59/13/28/402591328.db2.gz XRGSWEKUBHNHTG-LLVKDONJSA-N 0 0 308.328 2.431 10 30 DEEERN C[C@@H](C(=O)N(C)CCC#N)N1CCc2[nH]c3ccccc3c2C1 ZINC000171617331 402602174 /nfs/dbraw/zinc/60/21/74/402602174.db2.gz ZKBUEPYEORSVPT-ZDUSSCGKSA-N 0 0 310.401 2.287 10 30 DEEERN Cc1cc(C)cc(OCc2noc(Cn3ccnc3C#N)n2)c1 ZINC000179868243 402602576 /nfs/dbraw/zinc/60/25/76/402602576.db2.gz VEXQLLXZMJYVMP-UHFFFAOYSA-N 0 0 309.329 2.382 10 30 DEEERN C[C@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCS1 ZINC000171694816 402611166 /nfs/dbraw/zinc/61/11/66/402611166.db2.gz HUUGVGXLNFHQAH-SWLSCSKDSA-N 0 0 301.415 2.101 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCOC1 ZINC000179169487 402577407 /nfs/dbraw/zinc/57/74/07/402577407.db2.gz VLGFIFGDJOOBJU-CYBMUJFWSA-N 0 0 305.334 2.081 10 30 DEEERN Cn1cc(CNC(=O)c2cc(C#N)cn2C)c(-c2ccccc2)n1 ZINC000181242128 402638718 /nfs/dbraw/zinc/63/87/18/402638718.db2.gz BJIBKMFJKGUNQO-UHFFFAOYSA-N 0 0 319.368 2.227 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](C(F)(F)F)C1 ZINC000249722080 402639132 /nfs/dbraw/zinc/63/91/32/402639132.db2.gz NDSXXEHAJCQJEO-VXGBXAGGSA-N 0 0 305.344 2.269 10 30 DEEERN N#Cc1cc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)c[nH]1 ZINC000181338486 402642158 /nfs/dbraw/zinc/64/21/58/402642158.db2.gz QROZIRAMXKHYNJ-LLVKDONJSA-N 0 0 316.311 2.173 10 30 DEEERN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)C(C)C ZINC000172450024 402657000 /nfs/dbraw/zinc/65/70/00/402657000.db2.gz WDAXSYWVFVXLED-NSHDSACASA-N 0 0 303.406 2.204 10 30 DEEERN CCC(CC)[C@H](O)CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000173797014 402712810 /nfs/dbraw/zinc/71/28/10/402712810.db2.gz GLMODNRREHGYSC-MRXNPFEDSA-N 0 0 319.405 2.033 10 30 DEEERN C[C@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCS1 ZINC000182746474 402713267 /nfs/dbraw/zinc/71/32/67/402713267.db2.gz COKBOGFHDQBZGD-XJKSGUPXSA-N 0 0 315.442 2.491 10 30 DEEERN Cc1ccc(-n2nc(C#N)c(N3CCCC[C@@H]3CCO)n2)cc1 ZINC000256048780 402699908 /nfs/dbraw/zinc/69/99/08/402699908.db2.gz WDVILCGHZJUTGX-CQSZACIVSA-N 0 0 311.389 2.189 10 30 DEEERN CN(C)[C@@H](C(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000174154744 402728976 /nfs/dbraw/zinc/72/89/76/402728976.db2.gz REIZUXCKJPPWPI-GOSISDBHSA-N 0 0 323.396 2.356 10 30 DEEERN C[C@@H]1COC[C@H](C)N1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192600726 402739248 /nfs/dbraw/zinc/73/92/48/402739248.db2.gz CJJNGRANJQSGPS-JKIFEVAISA-N 0 0 313.401 2.163 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)CCc1ccc(OC)cc1 ZINC000183244865 402749672 /nfs/dbraw/zinc/74/96/72/402749672.db2.gz VPKBIKBRLFZAIZ-UKRRQHHQSA-N 0 0 306.406 2.253 10 30 DEEERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc(C#N)c[nH]1 ZINC000175136841 402782381 /nfs/dbraw/zinc/78/23/81/402782381.db2.gz QABSDWQJICHUGL-UHFFFAOYSA-N 0 0 305.341 2.344 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000183852996 402801744 /nfs/dbraw/zinc/80/17/44/402801744.db2.gz XJGDPVHUNUMBNV-KGLIPLIRSA-N 0 0 323.824 2.155 10 30 DEEERN CC[C@@H](CC#N)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000183887142 402803481 /nfs/dbraw/zinc/80/34/81/402803481.db2.gz FAHQWGJLQDOWGD-JSGCOSHPSA-N 0 0 319.430 2.090 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)OCC2(C#N)CCC2)C1 ZINC000183891361 402803605 /nfs/dbraw/zinc/80/36/05/402803605.db2.gz PFZGTTYVTOTXCX-LBPRGKRZSA-N 0 0 308.378 2.480 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)CCCF ZINC000175545882 402816105 /nfs/dbraw/zinc/81/61/05/402816105.db2.gz XUDKJYOPNOXINU-UHFFFAOYSA-N 0 0 316.354 2.272 10 30 DEEERN COc1ccc(NC(=O)c2cc(C#N)c[nH]2)c(OC)c1OC ZINC000175545241 402816270 /nfs/dbraw/zinc/81/62/70/402816270.db2.gz HFXSIIXNROQBST-UHFFFAOYSA-N 0 0 301.302 2.164 10 30 DEEERN CCOCCOCC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000194855703 402818792 /nfs/dbraw/zinc/81/87/92/402818792.db2.gz HNZXAXVKZZHALO-UHFFFAOYSA-N 0 0 302.374 2.102 10 30 DEEERN COc1ccccc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183673340 402787450 /nfs/dbraw/zinc/78/74/50/402787450.db2.gz HIHIPRBGBZVAIV-UHFFFAOYSA-N 0 0 319.324 2.400 10 30 DEEERN C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000278906532 402884184 /nfs/dbraw/zinc/88/41/84/402884184.db2.gz YXLPIPJOKRIYJS-OIISXLGYSA-N 0 0 324.371 2.153 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000278935361 402887818 /nfs/dbraw/zinc/88/78/18/402887818.db2.gz UAEYIBRZNATNRZ-OAHLLOKOSA-N 0 0 318.417 2.165 10 30 DEEERN N#CC1(c2ccc(C(=O)NCCN3CCSCC3)cc2)CC1 ZINC000271989717 402888423 /nfs/dbraw/zinc/88/84/23/402888423.db2.gz ZMUZWPXATAWLJI-UHFFFAOYSA-N 0 0 315.442 2.020 10 30 DEEERN CC(=O)c1ccc(C#N)c(N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000272446978 402938269 /nfs/dbraw/zinc/93/82/69/402938269.db2.gz FLGBXJHHTYLRKO-CQSZACIVSA-N 0 0 309.373 2.269 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCc1c[nH]c2cc(C)ccc12 ZINC000273394273 403000894 /nfs/dbraw/zinc/00/08/94/403000894.db2.gz AACULHOCNHDADW-AWEZNQCLSA-N 0 0 301.390 2.255 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccccc1S[C@@H](C)C(=O)OC ZINC000273464281 403006716 /nfs/dbraw/zinc/00/67/16/403006716.db2.gz DLFVVCSCRZVHCQ-RYUDHWBXSA-N 0 0 323.414 2.007 10 30 DEEERN N#Cc1ccc(C(F)(F)F)nc1NC[C@@]1(O)CCSC1 ZINC000267043703 403010664 /nfs/dbraw/zinc/01/06/64/403010664.db2.gz MPAWUHNLUBSGFQ-NSHDSACASA-N 0 0 303.309 2.252 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000274253265 403039025 /nfs/dbraw/zinc/03/90/25/403039025.db2.gz HRCWSRFWLDWUFA-RYUDHWBXSA-N 0 0 310.419 2.114 10 30 DEEERN C=CCCCCNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000274530053 403064492 /nfs/dbraw/zinc/06/44/92/403064492.db2.gz DFSBTLWTEGKXKN-AWEZNQCLSA-N 0 0 303.410 2.101 10 30 DEEERN C[C@H]1NC(=O)CC[C@H]1Nc1ccc(C#N)cc1Br ZINC000281589871 403072464 /nfs/dbraw/zinc/07/24/64/403072464.db2.gz GXLUTOWZHLJOLI-LDYMZIIASA-N 0 0 308.179 2.400 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N1CC[C@H](C)[C@@H](OC)C1 ZINC000275792532 403123962 /nfs/dbraw/zinc/12/39/62/403123962.db2.gz JZERIUIWSZGOFK-YOEHRIQHSA-N 0 0 316.401 2.265 10 30 DEEERN C=CCn1c(C2CCC2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC000282129896 403125253 /nfs/dbraw/zinc/12/52/53/403125253.db2.gz ANJRHFNIYBGDJC-CYBMUJFWSA-N 0 0 304.394 2.121 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H](CC)C1 ZINC000282420565 403152359 /nfs/dbraw/zinc/15/23/59/403152359.db2.gz XXVYCCGLWSKZKH-KGLIPLIRSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCCOCCNC(=O)N1CCC=C(Br)C1 ZINC000282750087 403159280 /nfs/dbraw/zinc/15/92/80/403159280.db2.gz PKBIPTLOZCKXSV-UHFFFAOYSA-N 0 0 303.200 2.273 10 30 DEEERN C#CCC(CC#C)C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000277358046 403209013 /nfs/dbraw/zinc/20/90/13/403209013.db2.gz IGMHZIFZNOOALQ-UHFFFAOYSA-N 0 0 305.381 2.194 10 30 DEEERN C=C(C)[C@@H](CC(=O)N(C)Cc1nc([C@@H](C)OC)no1)OCC ZINC000270201812 403179615 /nfs/dbraw/zinc/17/96/15/403179615.db2.gz QHAITTVDIJDUPX-VXGBXAGGSA-N 0 0 311.382 2.107 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1c(C)noc1C ZINC000285426011 403293898 /nfs/dbraw/zinc/29/38/98/403293898.db2.gz WDVYFWRBRBQTKA-OAHLLOKOSA-N 0 0 318.398 2.204 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000277753874 403253194 /nfs/dbraw/zinc/25/31/94/403253194.db2.gz RSTOYYQQOWWORF-INIZCTEOSA-N 0 0 318.367 2.347 10 30 DEEERN Cc1nnc(CCNc2nc(C(F)(F)F)ccc2C#N)n1C ZINC000277763042 403253908 /nfs/dbraw/zinc/25/39/08/403253908.db2.gz KLINZDSRDRTJKW-UHFFFAOYSA-N 0 0 310.283 2.064 10 30 DEEERN C=CCC(C)(C)CNC(=O)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000342908232 403392459 /nfs/dbraw/zinc/39/24/59/403392459.db2.gz AIGVPVLXLIZQJW-UHFFFAOYSA-N 0 0 316.405 2.086 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](COC)C1CC1 ZINC000286816841 403546905 /nfs/dbraw/zinc/54/69/05/403546905.db2.gz URGVHUMVKGEOCP-IAGOWNOFSA-N 0 0 300.402 2.345 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCCC(=O)c1cccc(OC)c1 ZINC000346673266 403598075 /nfs/dbraw/zinc/59/80/75/403598075.db2.gz UNCZUIYSHSBQJI-AWEZNQCLSA-N 0 0 305.374 2.101 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)c1nnc(COC)s1 ZINC000343590759 403652741 /nfs/dbraw/zinc/65/27/41/403652741.db2.gz MGTYYDGATMUFGS-UHFFFAOYSA-N 0 0 309.391 2.353 10 30 DEEERN C=CCN1CC[C@H](N(C)C/C=C\c2ccccc2OC)C1=O ZINC000343627946 403669184 /nfs/dbraw/zinc/66/91/84/403669184.db2.gz WJUBVZMEAYPMSN-GQSKFBFOSA-N 0 0 300.402 2.427 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1ccc(OC)c(OC)c1C ZINC000287868383 403683041 /nfs/dbraw/zinc/68/30/41/403683041.db2.gz DOYLLRXMHLEXOQ-CHWSQXEVSA-N 0 0 322.405 2.309 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000287935129 403694216 /nfs/dbraw/zinc/69/42/16/403694216.db2.gz WUWWCPJOJGAZOJ-GOSISDBHSA-N 0 0 317.429 2.226 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000288090699 403723280 /nfs/dbraw/zinc/72/32/80/403723280.db2.gz HVMHCNVIWBEUEY-NSHDSACASA-N 0 0 323.299 2.341 10 30 DEEERN Cn1c2c(nc1[C@@H]1CCCN1c1nccc(C#N)n1)CCCC2 ZINC000294954170 403738988 /nfs/dbraw/zinc/73/89/88/403738988.db2.gz KMZTYXXABORSCV-HNNXBMFYSA-N 0 0 308.389 2.302 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(C2CC2)CC1 ZINC000288187760 403740646 /nfs/dbraw/zinc/74/06/46/403740646.db2.gz OQJCUSHEHVJGBS-KRWDZBQOSA-N 0 0 311.429 2.111 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@H](C)Oc1ccccc1C ZINC000288256354 403744431 /nfs/dbraw/zinc/74/44/31/403744431.db2.gz VQJWSIOCTMYSLR-HNNXBMFYSA-N 0 0 318.417 2.303 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](C)C[C@@H](C)O ZINC000288299341 403744719 /nfs/dbraw/zinc/74/47/19/403744719.db2.gz WHAPCTHXQNVFGJ-BFYDXBDKSA-N 0 0 302.418 2.327 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCCO[C@@H](C)C1 ZINC000288288599 403745200 /nfs/dbraw/zinc/74/52/00/403745200.db2.gz VRYRHTMLFSXTRG-DOTOQJQBSA-N 0 0 300.402 2.441 10 30 DEEERN C=CCOc1ccc(CNC(=O)NC[C@H]2CCC[C@@H]2O)cc1 ZINC000288356500 403747066 /nfs/dbraw/zinc/74/70/66/403747066.db2.gz IIILGOCENPFQNB-ZBFHGGJFSA-N 0 0 304.390 2.212 10 30 DEEERN C=CCNC(=O)CNC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000361715447 403820739 /nfs/dbraw/zinc/82/07/39/403820739.db2.gz QKOVUQJAUULJNF-UHFFFAOYSA-N 0 0 314.307 2.056 10 30 DEEERN C=CCOc1cccc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1 ZINC000295194753 403791536 /nfs/dbraw/zinc/79/15/36/403791536.db2.gz XSYPIEQIJUHCDU-ROUUACIJSA-N 0 0 302.418 2.156 10 30 DEEERN N#Cc1cccnc1N1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000368757247 403848885 /nfs/dbraw/zinc/84/88/85/403848885.db2.gz MDNPRABNRGRLEF-AWEZNQCLSA-N 0 0 318.384 2.455 10 30 DEEERN C=CCC(F)(F)C(=O)NCCc1cnc2c(Cl)cnn2c1 ZINC000295360898 403880125 /nfs/dbraw/zinc/88/01/25/403880125.db2.gz KWOONPAIFPGKRI-UHFFFAOYSA-N 0 0 314.723 2.253 10 30 DEEERN C=C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000362585517 403967815 /nfs/dbraw/zinc/96/78/15/403967815.db2.gz CVPSLLHVTYNFEV-VXGBXAGGSA-N 0 0 304.415 2.452 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(CC(=O)OC)c1 ZINC000362532021 403962667 /nfs/dbraw/zinc/96/26/67/403962667.db2.gz HKMWPWSQRPAJCG-HOCLYGCPSA-N 0 0 303.358 2.322 10 30 DEEERN C#Cc1ccc(CNC(=O)CCc2c(C)nc(C)[nH]c2=O)cc1 ZINC000295511812 403965836 /nfs/dbraw/zinc/96/58/36/403965836.db2.gz PYABHIAPUKPSNB-UHFFFAOYSA-N 0 0 309.369 2.029 10 30 DEEERN C=C[C@@H](C)NC(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000362371609 403947335 /nfs/dbraw/zinc/94/73/35/403947335.db2.gz SQSBUFQLCJWAPS-CQSZACIVSA-N 0 0 315.417 2.413 10 30 DEEERN COC(=O)c1ccc(C#N)c(I)c1C ZINC000307472051 403952764 /nfs/dbraw/zinc/95/27/64/403952764.db2.gz YUOYUTNUPSEELT-UHFFFAOYSA-N 0 0 301.083 2.258 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NC2C3CC4CC(C3)CC2C4)o1 ZINC000344235202 403998542 /nfs/dbraw/zinc/99/85/42/403998542.db2.gz QZYVDOPSOMHSHC-UHFFFAOYSA-N 0 0 306.387 2.254 10 30 DEEERN C=CCOCC(=O)Nc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000348303305 404058405 /nfs/dbraw/zinc/05/84/05/404058405.db2.gz DAIQIBIYXDNSGB-GJZGRUSLSA-N 0 0 318.417 2.437 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CCN1C1CC1 ZINC000363080023 404064179 /nfs/dbraw/zinc/06/41/79/404064179.db2.gz QYUUSPWNMOVPPT-ZACQAIPSSA-N 0 0 313.376 2.128 10 30 DEEERN C=C(CN1C(=O)N[C@H](Cc2ccccn2)C1=O)c1ccccc1 ZINC000348949973 404110998 /nfs/dbraw/zinc/11/09/98/404110998.db2.gz AQQQMHKZSYVZGS-MRXNPFEDSA-N 0 0 307.353 2.258 10 30 DEEERN CCOc1cncc(N2CC[C@H](n3ccc(NC(C)=O)n3)C2)n1 ZINC000328611060 404113801 /nfs/dbraw/zinc/11/38/01/404113801.db2.gz KETRASCGFDGRNY-LBPRGKRZSA-N 0 0 316.365 2.131 10 30 DEEERN Cc1cc[nH]c(=O)c1C(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1 ZINC000328628968 404119442 /nfs/dbraw/zinc/11/94/42/404119442.db2.gz OHAJEYGJWZJBNV-DGCLKSJQSA-N 0 0 316.361 2.054 10 30 DEEERN Cc1cnc(CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)s1 ZINC000328643851 404122763 /nfs/dbraw/zinc/12/27/63/404122763.db2.gz YZSFXYWYUIHLSD-ZWNOBZJWSA-N 0 0 306.391 2.419 10 30 DEEERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328854596 404160911 /nfs/dbraw/zinc/16/09/11/404160911.db2.gz WMJLKUGUMUXIMC-UYJHQMFVSA-N 0 0 320.433 2.405 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000349964716 404276657 /nfs/dbraw/zinc/27/66/57/404276657.db2.gz KROTWTOAAOGJIH-LBPRGKRZSA-N 0 0 324.427 2.025 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000352315900 404284741 /nfs/dbraw/zinc/28/47/41/404284741.db2.gz QDKTUHAGYSCCNC-YJBOKZPZSA-N 0 0 322.449 2.267 10 30 DEEERN N#Cc1cc2c(nc1N1CCC[C@H](C(=O)N3CCCC3)C1)CCC2 ZINC000329411021 404329840 /nfs/dbraw/zinc/32/98/40/404329840.db2.gz CAAIRUDKAVMQMH-HNNXBMFYSA-N 0 0 324.428 2.281 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCC(C2N=NC(=O)N2CC)CC1 ZINC000364243023 404330814 /nfs/dbraw/zinc/33/08/14/404330814.db2.gz CCTZTGCVUQMJMO-LBPRGKRZSA-N 0 0 306.410 2.312 10 30 DEEERN C=CCCN(C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000342043932 404332246 /nfs/dbraw/zinc/33/22/46/404332246.db2.gz VCPVQGCOYFJMFU-RDJZCZTQSA-N 0 0 316.401 2.249 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000370105467 404336115 /nfs/dbraw/zinc/33/61/15/404336115.db2.gz OMPSNIDYAPKTJT-JYYAWHABSA-N 0 0 311.422 2.153 10 30 DEEERN C=CCOc1ccc(CN(CCO)Cc2ccnn2CC)cc1 ZINC000355567152 404351523 /nfs/dbraw/zinc/35/15/23/404351523.db2.gz OKTWJLFXHLEKSN-UHFFFAOYSA-N 0 0 315.417 2.462 10 30 DEEERN CCC[C@]1(C)CCCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)C1 ZINC000329371255 404317974 /nfs/dbraw/zinc/31/79/74/404317974.db2.gz IZEVJJIZWNTOBH-SQWLQELKSA-N 0 0 321.425 2.034 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CCN(c2ccccc2)C[C@H]1CC ZINC000355803985 404368726 /nfs/dbraw/zinc/36/87/26/404368726.db2.gz BIRYUTVXYMRZKW-CRAIPNDOSA-N 0 0 302.418 2.441 10 30 DEEERN CCc1nc(CNC(=O)[C@H]2CCCCS2(=O)=O)cs1 ZINC000329568371 404379577 /nfs/dbraw/zinc/37/95/77/404379577.db2.gz IAWOLFSQLRXKHA-SNVBAGLBSA-N 0 0 302.421 2.129 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1c1nc([C@H]2CN3CCCC[C@H]3CO2)no1 ZINC000329595726 404387055 /nfs/dbraw/zinc/38/70/55/404387055.db2.gz PAYYBXUHHSBCRS-GBJTYRQASA-N 0 0 319.405 2.444 10 30 DEEERN O=C(N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)[C@@H]1CCCSC1 ZINC000329602249 404388480 /nfs/dbraw/zinc/38/84/80/404388480.db2.gz XXKKOOADPNMCBN-VXGBXAGGSA-N 0 0 322.434 2.251 10 30 DEEERN Cn1cc(NC(=O)N2CCOC[C@H]2CC(F)F)c(C2CC2)n1 ZINC000329633998 404401690 /nfs/dbraw/zinc/40/16/90/404401690.db2.gz SUPAZLCZCIWHRU-SNVBAGLBSA-N 0 0 314.336 2.199 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000291499112 404404263 /nfs/dbraw/zinc/40/42/63/404404263.db2.gz HGYZVYMZYMVPPI-KDOFPFPSSA-N 0 0 317.433 2.253 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000342164929 404414321 /nfs/dbraw/zinc/41/43/21/404414321.db2.gz PZXVZOLTZCYVNU-GFCCVEGCSA-N 0 0 319.792 2.440 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000291569884 404431559 /nfs/dbraw/zinc/43/15/59/404431559.db2.gz XVOXHEMALVQLOX-AWEZNQCLSA-N 0 0 315.417 2.159 10 30 DEEERN C#Cc1ccc(CNC(=O)N[C@@H](C)CCC(=O)OCC)cc1 ZINC000297268397 404527539 /nfs/dbraw/zinc/52/75/39/404527539.db2.gz KMHFXOKCERDKJO-ZDUSSCGKSA-N 0 0 302.374 2.199 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](O)[C@H]1C ZINC000297083447 404442776 /nfs/dbraw/zinc/44/27/76/404442776.db2.gz XCNLPOQMZBNAAR-BXUZGUMPSA-N 0 0 306.337 2.215 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N1C[C@H](C(N)=O)CC[C@H]1C ZINC000350740318 404458288 /nfs/dbraw/zinc/45/82/88/404458288.db2.gz AFGHUDKNHVYXHF-JHJVBQTASA-N 0 0 305.426 2.068 10 30 DEEERN C=CCOCC(=O)N1CCN(c2nccc3sccc32)CC1 ZINC000345291371 404660496 /nfs/dbraw/zinc/66/04/96/404660496.db2.gz BYNUSBKWHAHALZ-UHFFFAOYSA-N 0 0 317.414 2.148 10 30 DEEERN C=CCc1ccc(OCC(=O)N(C)Cc2cc[nH]n2)c(OC)c1 ZINC000351601237 404665586 /nfs/dbraw/zinc/66/55/86/404665586.db2.gz PLEMRHKWJZVXOW-UHFFFAOYSA-N 0 0 315.373 2.184 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(CCOC)Cc1ccccc1 ZINC000297814187 404632770 /nfs/dbraw/zinc/63/27/70/404632770.db2.gz JXPVWXIJGKCOOO-UHFFFAOYSA-N 0 0 318.417 2.086 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H]1CCc2c1cccc2OC ZINC000342619046 404680702 /nfs/dbraw/zinc/68/07/02/404680702.db2.gz FJZHHGBLADQNFZ-OAHLLOKOSA-N 0 0 316.401 2.223 10 30 DEEERN C[C@@H]1OCC[C@]12CN(C(=O)c1sccc1C#N)C[C@@H](C)O2 ZINC000365560940 404691406 /nfs/dbraw/zinc/69/14/06/404691406.db2.gz AAOCXEXHTRPFLF-ZETOZRRWSA-N 0 0 306.387 2.028 10 30 DEEERN CS[C@@H](C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000365465299 404668137 /nfs/dbraw/zinc/66/81/37/404668137.db2.gz HVTPMGBLYVJAEJ-JKSUJKDBSA-N 0 0 315.442 2.289 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](OC)c1ccc(O)cc1 ZINC000357643299 404739655 /nfs/dbraw/zinc/73/96/55/404739655.db2.gz BURRWYVHYHHNOA-BPUTZDHNSA-N 0 0 305.374 2.177 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc2cc[nH]c2n1 ZINC000358090277 404753397 /nfs/dbraw/zinc/75/33/97/404753397.db2.gz ITSYMZKWJIWCOP-ZFWWWQNUSA-N 0 0 314.389 2.343 10 30 DEEERN C=CCN(C)C(=O)C(=O)N[C@@H](C)c1ccc2ncsc2c1 ZINC000358339784 404760142 /nfs/dbraw/zinc/76/01/42/404760142.db2.gz GWXUAKFECVXYEN-JTQLQIEISA-N 0 0 303.387 2.118 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)N[C@@H](CCOC)COC ZINC000358344264 404760495 /nfs/dbraw/zinc/76/04/95/404760495.db2.gz OCFROOOYPUAHQX-ZDUSSCGKSA-N 0 0 312.435 2.497 10 30 DEEERN C[C@@H](CC(=O)N1CCC(C)(C#N)CC1)NC(=O)c1ccccc1 ZINC000356990112 404723460 /nfs/dbraw/zinc/72/34/60/404723460.db2.gz SNGVWSAOBUMYNA-AWEZNQCLSA-N 0 0 313.401 2.347 10 30 DEEERN C=CCN(CCC#N)C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000359381262 404791851 /nfs/dbraw/zinc/79/18/51/404791851.db2.gz CBLOFGQZPILODN-UHFFFAOYSA-N 0 0 301.375 2.085 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](CC)c1c(C)nn(C)c1C ZINC000360104836 404818150 /nfs/dbraw/zinc/81/81/50/404818150.db2.gz ULMDFSUXOIZINT-AWEZNQCLSA-N 0 0 320.437 2.029 10 30 DEEERN COc1ccc(C#N)cc1CN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000366587740 404819387 /nfs/dbraw/zinc/81/93/87/404819387.db2.gz ZJXUBHDKDNSFRQ-SFHVURJKSA-N 0 0 316.401 2.337 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000360557200 404831085 /nfs/dbraw/zinc/83/10/85/404831085.db2.gz RTANQYNSWOLXFM-WBVHZDCISA-N 0 0 319.401 2.274 10 30 DEEERN C[C@H](C(=O)Nc1scnc1-c1ccccc1)n1cnc(C#N)n1 ZINC000361028293 404884657 /nfs/dbraw/zinc/88/46/57/404884657.db2.gz DQIVHXCCDQEIKO-SNVBAGLBSA-N 0 0 324.369 2.473 10 30 DEEERN C#CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000366751820 404842831 /nfs/dbraw/zinc/84/28/31/404842831.db2.gz ZNAKNYCIURPAKX-CABCVRRESA-N 0 0 304.434 2.333 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000434541849 404910430 /nfs/dbraw/zinc/91/04/30/404910430.db2.gz XTPDIRKGJHYCCC-AWEZNQCLSA-N 0 0 324.402 2.018 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)CO[C@@H]1CCCc2ccccc21 ZINC000435795507 405014155 /nfs/dbraw/zinc/01/41/55/405014155.db2.gz DOLDIBYAAKTQSO-RHSMWYFYSA-N 0 0 303.402 2.381 10 30 DEEERN C=C(C)COCCNC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000361338112 405029280 /nfs/dbraw/zinc/02/92/80/405029280.db2.gz VNRFXRCVFSWAMX-CQSZACIVSA-N 0 0 320.389 2.108 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NS(=O)(=O)N(CCCC)CCCC ZINC000451855285 405066866 /nfs/dbraw/zinc/06/68/66/405066866.db2.gz BBINHIGHAXCDKY-KGLIPLIRSA-N 0 0 304.456 2.067 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)[C@@H](c2ccccc2)N(C)C1=O ZINC000424616838 405130253 /nfs/dbraw/zinc/13/02/53/405130253.db2.gz GUHZYIRJSLOQKY-SOUVJXGZSA-N 0 0 300.358 2.213 10 30 DEEERN C=CCCn1cc(C(=O)N[C@@H](C)c2ccccc2OC)nn1 ZINC000424542176 405113016 /nfs/dbraw/zinc/11/30/16/405113016.db2.gz KYORJGRAFKPRHJ-LBPRGKRZSA-N 0 0 300.362 2.354 10 30 DEEERN C=CCC[C@H](CO)NS(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000452030009 405131811 /nfs/dbraw/zinc/13/18/11/405131811.db2.gz LNHYPEDXDIMMQK-CYBMUJFWSA-N 0 0 322.430 2.092 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cn(C(C)C)nn1 ZINC000354273166 405134249 /nfs/dbraw/zinc/13/42/49/405134249.db2.gz RWKQLTRGVBFFEN-UHFFFAOYSA-N 0 0 318.377 2.163 10 30 DEEERN C=CCn1c(SCc2nnnn2C(C)(C)C)nnc1C1CC1 ZINC000361569809 405135115 /nfs/dbraw/zinc/13/51/15/405135115.db2.gz UKHBXVKBKFSHRE-UHFFFAOYSA-N 0 0 319.438 2.375 10 30 DEEERN C=CCC1(C(=O)NCCCOC[C@H]2CCCO2)CCOCC1 ZINC000424661759 405142048 /nfs/dbraw/zinc/14/20/48/405142048.db2.gz WSDLMOVFAMALPR-OAHLLOKOSA-N 0 0 311.422 2.061 10 30 DEEERN C(#Cc1ccccc1)CN(CCN1CCOCC1)Cc1ccco1 ZINC000452047886 405142132 /nfs/dbraw/zinc/14/21/32/405142132.db2.gz LHUWIAXHYJTHHA-UHFFFAOYSA-N 0 0 324.424 2.466 10 30 DEEERN C=CCCn1cc(C(=O)N2CCc3ccc(F)c(F)c3C2)nn1 ZINC000424741845 405165675 /nfs/dbraw/zinc/16/56/75/405165675.db2.gz REUMYLQVYYTZEI-UHFFFAOYSA-N 0 0 318.327 2.331 10 30 DEEERN C=CCC1(C(=O)N(CC)C[C@H](O)C(F)(F)F)CCOCC1 ZINC000424796815 405180144 /nfs/dbraw/zinc/18/01/44/405180144.db2.gz QJWDCEUGVMVIGU-NSHDSACASA-N 0 0 309.328 2.131 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c[nH]cc1-c1cnn(C)c1 ZINC000437490365 405202377 /nfs/dbraw/zinc/20/23/77/405202377.db2.gz MHCGSIIXYLPAAF-BLLLJJGKSA-N 0 0 314.389 2.126 10 30 DEEERN C[C@H]1N(C(=O)c2ccc(C#N)c(O)c2)CCC12CCOCC2 ZINC000408428190 405204106 /nfs/dbraw/zinc/20/41/06/405204106.db2.gz CDKIUDZJNGCLFM-GFCCVEGCSA-N 0 0 300.358 2.295 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(NC(C)=O)c1 ZINC000437520155 405204359 /nfs/dbraw/zinc/20/43/59/405204359.db2.gz QAJTYPGANQYTCY-GDBMZVCRSA-N 0 0 302.374 2.356 10 30 DEEERN C=CCn1cc(CNC(=O)Cc2c[nH]c3c2cccc3CC)nn1 ZINC000424908341 405210228 /nfs/dbraw/zinc/21/02/28/405210228.db2.gz NWLUKDSEQGSOPJ-UHFFFAOYSA-N 0 0 323.400 2.367 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](NC(C)=O)c1cccs1 ZINC000424918067 405212304 /nfs/dbraw/zinc/21/23/04/405212304.db2.gz UQCHXXZEYYLDLV-MJBXVCDLSA-N 0 0 322.430 2.023 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)COc1ccccc1OCC ZINC000424919576 405212565 /nfs/dbraw/zinc/21/25/65/405212565.db2.gz XMWYBGVFNIPNHW-KBPBESRZSA-N 0 0 305.374 2.171 10 30 DEEERN C=CCCn1cc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000424755934 405169188 /nfs/dbraw/zinc/16/91/88/405169188.db2.gz PAOGLBQDPATLAI-NSHDSACASA-N 0 0 315.333 2.253 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000437838741 405222301 /nfs/dbraw/zinc/22/23/01/405222301.db2.gz LQNYUANJOHGHFL-QAPCUYQASA-N 0 0 322.449 2.076 10 30 DEEERN C=CC(C)(C)CNC(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000452784504 405242831 /nfs/dbraw/zinc/24/28/31/405242831.db2.gz PHPFZGQYSCEMAF-UHFFFAOYSA-N 0 0 305.378 2.374 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(C)c(F)cc1F ZINC000425182314 405254963 /nfs/dbraw/zinc/25/49/63/405254963.db2.gz ZVZIBCAITXFXPN-GWCFXTLKSA-N 0 0 317.357 2.143 10 30 DEEERN C=CC(C)(C)CNC(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000455370935 405402569 /nfs/dbraw/zinc/40/25/69/405402569.db2.gz RKJFZYBJIVKXFB-CQSZACIVSA-N 0 0 301.390 2.303 10 30 DEEERN N#Cc1cccc(-c2cc(C(=O)N3CCCn4nccc43)on2)c1 ZINC000447486378 405414990 /nfs/dbraw/zinc/41/49/90/405414990.db2.gz CZZFGVQBVMZMMC-UHFFFAOYSA-N 0 0 319.324 2.460 10 30 DEEERN C=CCOc1ccc(C[NH2+][C@@H](CN2CCCCC2)C(=O)[O-])cc1 ZINC000426716459 405375847 /nfs/dbraw/zinc/37/58/47/405375847.db2.gz MHNULPVJOORNBQ-KRWDZBQOSA-N 0 0 318.417 2.280 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000455725577 405447132 /nfs/dbraw/zinc/44/71/32/405447132.db2.gz OCFPJWZAANAVJL-SSDOTTSWSA-N 0 0 309.313 2.306 10 30 DEEERN C=CCN(C(=O)[C@@H]1CCN1Cc1ccc(OC)cc1)C1CC1 ZINC000635764311 405484597 /nfs/dbraw/zinc/48/45/97/405484597.db2.gz GLOHWEWIXOVARO-KRWDZBQOSA-N 0 0 300.402 2.447 10 30 DEEERN C=C1CC(C)(C(=O)NCc2cc(C)nc(N3CCCC3)n2)C1 ZINC000633185562 405490911 /nfs/dbraw/zinc/49/09/11/405490911.db2.gz AOKPIQDSSKWXRJ-UHFFFAOYSA-N 0 0 300.406 2.358 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCCCS(=O)(=O)CC ZINC000633313881 405566111 /nfs/dbraw/zinc/56/61/11/405566111.db2.gz ZBRWJZJRLCQOJV-UHFFFAOYSA-N 0 0 304.456 2.103 10 30 DEEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCC[C@H]1CCOC1 ZINC000456761567 405552767 /nfs/dbraw/zinc/55/27/67/405552767.db2.gz KTPHVPCMYDCQBW-SUMWQHHRSA-N 0 0 324.421 2.181 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)[C@@H](C)Cn1ncc2ccccc21 ZINC000456759007 405552813 /nfs/dbraw/zinc/55/28/13/405552813.db2.gz DMKZCIDLCBVYSK-ZFWWWQNUSA-N 0 0 301.390 2.116 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CC[C@@H](CS(C)(=O)=O)C1 ZINC000633411205 405628663 /nfs/dbraw/zinc/62/86/63/405628663.db2.gz KJVZOXRQIPUOGM-CYBMUJFWSA-N 0 0 316.467 2.055 10 30 DEEERN C=CCOCCCNC(=O)N1CCN(c2cccc(F)c2)CC1 ZINC000633353582 405589094 /nfs/dbraw/zinc/58/90/94/405589094.db2.gz FNBFRVPSALJBTM-UHFFFAOYSA-N 0 0 321.396 2.250 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1CCC ZINC000580641620 405658161 /nfs/dbraw/zinc/65/81/61/405658161.db2.gz CWABAQILAJGFFA-UGUYLWEFSA-N 0 0 322.449 2.169 10 30 DEEERN C=CC(C)(C)CNC(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000458989235 405680058 /nfs/dbraw/zinc/68/00/58/405680058.db2.gz PBAJJJUCBRCUHI-HNNXBMFYSA-N 0 0 315.417 2.471 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450087635 405733302 /nfs/dbraw/zinc/73/33/02/405733302.db2.gz OFQQVIMSCLJARF-UHFFFAOYSA-N 0 0 310.313 2.003 10 30 DEEERN C=CCN(C)CC(=O)N1CCN([C@H](C)c2ccccc2)CC1 ZINC000494647106 405736014 /nfs/dbraw/zinc/73/60/14/405736014.db2.gz LDLQLFANIRFJAU-MRXNPFEDSA-N 0 0 301.434 2.010 10 30 DEEERN C=CCN(C(=O)Cc1ccc(-n2ccnc2)cc1)[C@H](C)COC ZINC000633613359 405746160 /nfs/dbraw/zinc/74/61/60/405746160.db2.gz XHACTYHHARKRBK-OAHLLOKOSA-N 0 0 313.401 2.464 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@]1(C)Br ZINC000529246692 405753966 /nfs/dbraw/zinc/75/39/66/405753966.db2.gz MRVJSAVQWRMHEX-BLFANLJRSA-N 0 0 302.212 2.257 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CCC(Cc2nc(C(C)C)n[nH]2)CC1 ZINC000636118466 405756363 /nfs/dbraw/zinc/75/63/63/405756363.db2.gz WIKCENBZCODCKF-QGZVFWFLSA-N 0 0 320.437 2.036 10 30 DEEERN C=CCC1(NC(=O)c2cn(C[C@H]3CCOC3)nn2)CCCCC1 ZINC000529459916 405758755 /nfs/dbraw/zinc/75/87/55/405758755.db2.gz SFJPRIJRBPNRTP-CQSZACIVSA-N 0 0 318.421 2.323 10 30 DEEERN C=CCC(C)(C)C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000432875049 405827094 /nfs/dbraw/zinc/82/70/94/405827094.db2.gz FRFNWJXLEIROAV-CYBMUJFWSA-N 0 0 306.381 2.188 10 30 DEEERN Cn1c(C#N)ccc1C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000450162584 405763472 /nfs/dbraw/zinc/76/34/72/405763472.db2.gz QRUHADCDQXUTEV-CYBMUJFWSA-N 0 0 311.341 2.317 10 30 DEEERN C=CCCC(C)(C)CNC(=O)CNC(=O)NCc1ccco1 ZINC000633964323 405933730 /nfs/dbraw/zinc/93/37/30/405933730.db2.gz KQFXZAPNJAMCRN-UHFFFAOYSA-N 0 0 307.394 2.187 10 30 DEEERN CS(=O)(=O)c1ccccc1NC(=O)Cc1cccc(C#N)c1 ZINC000531391309 405952782 /nfs/dbraw/zinc/95/27/82/405952782.db2.gz WQEPEWARDATAEH-UHFFFAOYSA-N 0 0 314.366 2.143 10 30 DEEERN C=CCN(C[C@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000450565258 405957663 /nfs/dbraw/zinc/95/76/63/405957663.db2.gz WBGMJQCOSJBVND-OLZOCXBDSA-N 0 0 307.406 2.487 10 30 DEEERN C=CCNC(=O)CNC(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000450447653 405903280 /nfs/dbraw/zinc/90/32/80/405903280.db2.gz XBDJKFMENCZHEZ-AAEUAGOBSA-N 0 0 324.783 2.391 10 30 DEEERN C=CCCn1cc(C(=O)N[C@@H](CF)c2ccc(F)cc2)nn1 ZINC000636350564 405904060 /nfs/dbraw/zinc/90/40/60/405904060.db2.gz WAYNFKMHHGMJEF-ZDUSSCGKSA-N 0 0 306.316 2.434 10 30 DEEERN CNC(=O)c1ccc(OC)c(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000531150784 405917087 /nfs/dbraw/zinc/91/70/87/405917087.db2.gz ZTOFVXRPRVCZSP-UHFFFAOYSA-N 0 0 323.352 2.108 10 30 DEEERN COc1ccc(Cn2ccc(Nc3ccncc3C#N)n2)cc1 ZINC000561305779 405917684 /nfs/dbraw/zinc/91/76/84/405917684.db2.gz UXHWUZUNUXZAQD-UHFFFAOYSA-N 0 0 305.341 2.372 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1CCCc2occc21 ZINC000636568588 406012187 /nfs/dbraw/zinc/01/21/87/406012187.db2.gz LXTNJWVKASUVMF-ZDUSSCGKSA-N 0 0 304.390 2.492 10 30 DEEERN C=CCOc1ccccc1C(=O)N(C)[C@@H]1CCCCN(C)C1=O ZINC000634141834 406018663 /nfs/dbraw/zinc/01/86/63/406018663.db2.gz DTOXEMGROHJXSP-OAHLLOKOSA-N 0 0 316.401 2.334 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2cccc(C(=O)NC)c2)C1 ZINC000636587075 406019793 /nfs/dbraw/zinc/01/97/93/406019793.db2.gz PJQLACLCYUGNDV-ZDUSSCGKSA-N 0 0 301.390 2.154 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000636515207 405995987 /nfs/dbraw/zinc/99/59/87/405995987.db2.gz UXYVULFTFSYAMX-HRCADAONSA-N 0 0 323.481 2.482 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1cccc(OCC)c1 ZINC000636522309 405998745 /nfs/dbraw/zinc/99/87/45/405998745.db2.gz AZSAVOBOBBFWBD-UHFFFAOYSA-N 0 0 318.417 2.420 10 30 DEEERN C=CC[C@@H](CC)NS(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632302082 406085442 /nfs/dbraw/zinc/08/54/42/406085442.db2.gz XFOUJOYGWHYHPF-MRVPVSSYSA-N 0 0 311.329 2.072 10 30 DEEERN C=CCCCCCNC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000566434952 406089103 /nfs/dbraw/zinc/08/91/03/406089103.db2.gz KIRMTDMDNKOHGW-LSDHHAIUSA-N 0 0 307.438 2.433 10 30 DEEERN C[C@@H](NC(=O)Cc1cccc(C#N)c1)[C@@H](O)Cc1ccccc1 ZINC000532637463 406090280 /nfs/dbraw/zinc/09/02/80/406090280.db2.gz HYNADTHCXQKMPY-KDOFPFPSSA-N 0 0 308.381 2.209 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000636824242 406092075 /nfs/dbraw/zinc/09/20/75/406092075.db2.gz JRTOLSUYXHULKV-OAHLLOKOSA-N 0 0 315.417 2.367 10 30 DEEERN Cc1nc(NC(=O)Cc2cccc(C#N)c2)n(-c2ccccc2)n1 ZINC000532188929 406053099 /nfs/dbraw/zinc/05/30/99/406053099.db2.gz NEWTXEMWVSPDBD-UHFFFAOYSA-N 0 0 317.352 2.051 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000562855544 406056273 /nfs/dbraw/zinc/05/62/73/406056273.db2.gz KEIQYTZJOISPGA-LYRGGWFBSA-N 0 0 320.437 2.001 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000515450923 406070213 /nfs/dbraw/zinc/07/02/13/406070213.db2.gz NTBJGZFZCJHBCE-UKRRQHHQSA-N 0 0 315.373 2.350 10 30 DEEERN C=C(C)Cn1c(C2CCC2)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000516695255 406103106 /nfs/dbraw/zinc/10/31/06/406103106.db2.gz SIAYXYIOLMOHKY-GXTWGEPZSA-N 0 0 317.437 2.212 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1nc(C)c(C)s1 ZINC000636756760 406073612 /nfs/dbraw/zinc/07/36/12/406073612.db2.gz HLMWMQJIPCYXBV-UHFFFAOYSA-N 0 0 323.462 2.485 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)C1CCOCC1 ZINC000636765082 406075956 /nfs/dbraw/zinc/07/59/56/406075956.db2.gz QZHUFYOTMYVKAR-CYBMUJFWSA-N 0 0 310.438 2.026 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NC[C@H]1CCC(F)(F)C1 ZINC000636767870 406076712 /nfs/dbraw/zinc/07/67/12/406076712.db2.gz WQHGVJWLTNCRDU-NSHDSACASA-N 0 0 302.365 2.257 10 30 DEEERN CO[C@H]1CC[C@@H](NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C1 ZINC000471703101 406110274 /nfs/dbraw/zinc/11/02/74/406110274.db2.gz RXVKWNCJXBXVLX-ZBFHGGJFSA-N 0 0 324.384 2.350 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc2cccnc21 ZINC000567721549 406125985 /nfs/dbraw/zinc/12/59/85/406125985.db2.gz HVHISOQJRYKHBD-KBPBESRZSA-N 0 0 318.398 2.104 10 30 DEEERN C=CCn1cc(CNC(=O)NC[C@H]2CC3CCC2CC3)nn1 ZINC000517735781 406126510 /nfs/dbraw/zinc/12/65/10/406126510.db2.gz XCOGNFCTEGHQEP-JXQTWKCFSA-N 0 0 303.410 2.090 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C)[C@](C)(OC)C1CC1 ZINC000636962018 406134415 /nfs/dbraw/zinc/13/44/15/406134415.db2.gz CAIVTMDXYRIVNI-SJCJKPOMSA-N 0 0 310.438 2.025 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC[C@H]1CCCOC1 ZINC000637039156 406157976 /nfs/dbraw/zinc/15/79/76/406157976.db2.gz VCWFWSXGQXELPX-OAGGEKHMSA-N 0 0 322.449 2.170 10 30 DEEERN C=CCCC(C)(C)CNS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000632640931 406209463 /nfs/dbraw/zinc/20/94/63/406209463.db2.gz KBMRNZKYVPNGKZ-UHFFFAOYSA-N 0 0 321.393 2.419 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1COc2ccc(F)cc2C1 ZINC000568478295 406218245 /nfs/dbraw/zinc/21/82/45/406218245.db2.gz BCZAKIRDZDQVRK-KFWWJZLASA-N 0 0 320.364 2.162 10 30 DEEERN C=CCN(C)c1nnc([C@]2(C)CCCO2)n1C[C@@H]1CCCCO1 ZINC000568721794 406220720 /nfs/dbraw/zinc/22/07/20/406220720.db2.gz VAZAONCIOCMRBD-YOEHRIQHSA-N 0 0 320.437 2.495 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F ZINC000487745161 406260476 /nfs/dbraw/zinc/26/04/76/406260476.db2.gz XASNQMMTPOWZRK-KOLCDFICSA-N 0 0 305.300 2.121 10 30 DEEERN COC(=O)c1cccc(CCNC(=O)Cc2cccc(C#N)c2)c1 ZINC000536640337 406271915 /nfs/dbraw/zinc/27/19/15/406271915.db2.gz HEGIGUORMSPVKM-UHFFFAOYSA-N 0 0 322.364 2.246 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC000637411197 406299287 /nfs/dbraw/zinc/29/92/87/406299287.db2.gz OQYNFBUUTQKDGN-QWHCGFSZSA-N 0 0 322.405 2.391 10 30 DEEERN C=C[C@@H](C)NC(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1 ZINC000489214689 406384965 /nfs/dbraw/zinc/38/49/65/406384965.db2.gz DVBDYWAJGQGHDC-CYBMUJFWSA-N 0 0 317.389 2.163 10 30 DEEERN C=CCC[C@H](NC(=O)c1cnn2c1C[C@@H](C)CC2)C(=O)OCC ZINC000570635181 406419621 /nfs/dbraw/zinc/41/96/21/406419621.db2.gz YSWPEPNFAQTOIF-JSGCOSHPSA-N 0 0 319.405 2.093 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1c2c(ccc1F)OCO2 ZINC000635097380 406423227 /nfs/dbraw/zinc/42/32/27/406423227.db2.gz IRYYEHOOSCSSDQ-SNVBAGLBSA-N 0 0 322.336 2.354 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)Nc1c2c(ccc1F)OCO2 ZINC000635097379 406423441 /nfs/dbraw/zinc/42/34/41/406423441.db2.gz IRYYEHOOSCSSDQ-JTQLQIEISA-N 0 0 322.336 2.354 10 30 DEEERN C=CC[C@@H](C(=O)N(C)C[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000488996370 406368782 /nfs/dbraw/zinc/36/87/82/406368782.db2.gz YJIGRCCVEFWAPB-GDBMZVCRSA-N 0 0 321.442 2.239 10 30 DEEERN C=CCNC(=O)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000489112759 406378268 /nfs/dbraw/zinc/37/82/68/406378268.db2.gz YPWRDINPLXHIOU-LBPRGKRZSA-N 0 0 316.323 2.342 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccc(C)[nH]c1=O ZINC000635260159 406478648 /nfs/dbraw/zinc/47/86/48/406478648.db2.gz LGZIYMXYLAZXFZ-UHFFFAOYSA-N 0 0 305.378 2.143 10 30 DEEERN C[C@H]1CN(Cc2cccc(CNc3ccncc3C#N)c2)CCO1 ZINC000548153515 406486842 /nfs/dbraw/zinc/48/68/42/406486842.db2.gz NURPNXSVHYYYOZ-HNNXBMFYSA-N 0 0 322.412 2.208 10 30 DEEERN N#Cc1cnccc1NCc1cc(Cl)c2c(c1)OCCO2 ZINC000548154045 406486885 /nfs/dbraw/zinc/48/68/85/406486885.db2.gz OMWHRBQQRQDHTB-UHFFFAOYSA-N 0 0 301.733 2.412 10 30 DEEERN C=CCCN(C)C(=O)C(=O)Nc1cc(F)cc(OC(F)F)c1 ZINC000635138984 406437715 /nfs/dbraw/zinc/43/77/15/406437715.db2.gz NSEUSVSKROVKLC-UHFFFAOYSA-N 0 0 316.279 2.400 10 30 DEEERN CC#CCN(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000571522180 406531401 /nfs/dbraw/zinc/53/14/01/406531401.db2.gz FZCVTRJMJVCUOH-UHFFFAOYSA-N 0 0 314.345 2.283 10 30 DEEERN COC(=O)[C@H](CNc1ccncc1C#N)Cc1cccc(C)c1 ZINC000548480421 406521198 /nfs/dbraw/zinc/52/11/98/406521198.db2.gz WDXLJTUHJHGFAA-HNNXBMFYSA-N 0 0 309.369 2.127 10 30 DEEERN N#Cc1cnccc1NCCOc1cccc(C(F)(F)F)n1 ZINC000548491042 406522189 /nfs/dbraw/zinc/52/21/89/406522189.db2.gz SJVMWEZWOMSXLM-UHFFFAOYSA-N 0 0 308.263 2.280 10 30 DEEERN COc1cc(OC)cc(OCCCNc2ccncc2C#N)c1 ZINC000548491060 406522195 /nfs/dbraw/zinc/52/21/95/406522195.db2.gz VSMIWCKSZAEXBS-UHFFFAOYSA-N 0 0 313.357 2.273 10 30 DEEERN C#C[C@H](NC(=O)[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000491724555 406687895 /nfs/dbraw/zinc/68/78/95/406687895.db2.gz FVIISURZPRAXQW-QWHCGFSZSA-N 0 0 308.175 2.419 10 30 DEEERN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)cc1 ZINC000491831570 406739800 /nfs/dbraw/zinc/73/98/00/406739800.db2.gz JHQXNIXDLLAPTJ-GFCCVEGCSA-N 0 0 307.300 2.191 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1ccn(-c2ccccc2)n1 ZINC000574033559 406780074 /nfs/dbraw/zinc/78/00/74/406780074.db2.gz ONOFQEXJXXYOHF-YOEHRIQHSA-N 0 0 311.385 2.122 10 30 DEEERN CCOc1ccc([N+](=O)[O-])c(C#N)c1I ZINC000575670073 406817362 /nfs/dbraw/zinc/81/73/62/406817362.db2.gz CBXXOFLAEKVDGW-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN CCCS(=O)(=O)c1ccc([C@@](C)(C#N)C(=O)OCC)cc1 ZINC000128954707 196007477 /nfs/dbraw/zinc/00/74/77/196007477.db2.gz QZWLALPXKSWVDD-OAHLLOKOSA-N 0 0 309.387 2.215 10 30 DEEERN C=CCNc1ncc(C(=O)Nc2nnc3cc(C)ccn32)s1 ZINC000129836477 196079257 /nfs/dbraw/zinc/07/92/57/196079257.db2.gz APGNWIVPUKWDKS-UHFFFAOYSA-N 0 0 314.374 2.344 10 30 DEEERN Cc1cc(C(=O)N2CCS[C@H](C)C2)ccc1C#CCCO ZINC000137311688 196571755 /nfs/dbraw/zinc/57/17/55/196571755.db2.gz CQMYDPCTLHESDS-CQSZACIVSA-N 0 0 303.427 2.306 10 30 DEEERN N#Cc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1O ZINC000188682547 225029264 /nfs/dbraw/zinc/02/92/64/225029264.db2.gz WIYCTGNRQCAEQB-WMLDXEAASA-N 0 0 300.358 2.031 10 30 DEEERN CCn1cc([C@H]2CN(C(=O)C3(C#N)CCCCC3)CCO2)cn1 ZINC000191732080 225116480 /nfs/dbraw/zinc/11/64/80/225116480.db2.gz AHMOWKDFOGAWHF-OAHLLOKOSA-N 0 0 316.405 2.277 10 30 DEEERN C[C@H](NC(=O)N1CCC(C#N)CC1)c1ccc(-n2cncn2)cc1 ZINC000195325097 225202446 /nfs/dbraw/zinc/20/24/46/225202446.db2.gz NBYDFSKREGHTGF-ZDUSSCGKSA-N 0 0 324.388 2.273 10 30 DEEERN Cc1ccnc(NC(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)c1 ZINC000330813262 226033418 /nfs/dbraw/zinc/03/34/18/226033418.db2.gz KLLJDLZJYGZQOW-CYBMUJFWSA-N 0 0 304.394 2.172 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cnc2ccccc2c1 ZINC000333184493 226102024 /nfs/dbraw/zinc/10/20/24/226102024.db2.gz NPTORYQMGDHYIY-DOMZBBRYSA-N 0 0 301.371 2.205 10 30 DEEERN N#C[C@H]1CN(C(=O)NC2CCCCCCC2)CCN1C1CC1 ZINC000369230530 227027559 /nfs/dbraw/zinc/02/75/59/227027559.db2.gz IMXHKWDMUSEXSL-INIZCTEOSA-N 0 0 304.438 2.481 10 30 DEEERN N#CCCCCNC(=O)[C@H]1CCCN1c1ncnc2ccccc21 ZINC000369769119 227038278 /nfs/dbraw/zinc/03/82/78/227038278.db2.gz YZSVAHSNGNHOMB-MRXNPFEDSA-N 0 0 323.400 2.409 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2ccc3ncsc3c2)CCN1C1CC1 ZINC000370968091 227060424 /nfs/dbraw/zinc/06/04/24/227060424.db2.gz JXFUBWXWXJJREX-CYBMUJFWSA-N 0 0 312.398 2.109 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cc3ccccc3cc2O)CCN1C1CC1 ZINC000370975736 227061643 /nfs/dbraw/zinc/06/16/43/227061643.db2.gz ZXJRPSONINLQMU-MRXNPFEDSA-N 0 0 321.380 2.358 10 30 DEEERN N#C[C@H]1CN(C(=O)CCn2ccc3ccccc32)CCN1C1CC1 ZINC000371623229 227073614 /nfs/dbraw/zinc/07/36/14/227073614.db2.gz YAHPMQBBMMDBDJ-KRWDZBQOSA-N 0 0 322.412 2.230 10 30 DEEERN Cc1ccc(Cl)cc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000372232210 227086754 /nfs/dbraw/zinc/08/67/54/227086754.db2.gz GQGLFSMJJUJUDL-CQSZACIVSA-N 0 0 303.793 2.461 10 30 DEEERN C=CCN(CC=C)c1nnc([C@H]2COCCO2)n1CC(C)C ZINC000291315776 222307770 /nfs/dbraw/zinc/30/77/70/222307770.db2.gz DIGWMNVYPHCTKN-CQSZACIVSA-N 0 0 306.410 2.200 10 30 DEEERN N#C[C@@H]1CN(C(=O)NC(C2CCC2)C2CCC2)CCN1C1CC1 ZINC000376894064 227178623 /nfs/dbraw/zinc/17/86/23/227178623.db2.gz PKYOTBTTWRQRDF-MRXNPFEDSA-N 0 0 316.449 2.337 10 30 DEEERN N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000408017262 227226365 /nfs/dbraw/zinc/22/63/65/227226365.db2.gz LUFBLOWMKCBBIK-LDYMZIIASA-N 0 0 302.758 2.450 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1c(F)cccc1Cl ZINC000408245603 227228998 /nfs/dbraw/zinc/22/89/98/227228998.db2.gz WSURFYRKIUVYOK-KCJUWKMLSA-N 0 0 302.758 2.450 10 30 DEEERN N#Cc1ccc(N2CCC(C(=O)NCc3ccccc3)CC2)cn1 ZINC000301602185 229768720 /nfs/dbraw/zinc/76/87/20/229768720.db2.gz WCBPNKDBVQZQGE-UHFFFAOYSA-N 0 0 320.396 2.486 10 30 DEEERN N#Cc1ccc(CNC(=O)Nc2nc3ccccn3n2)c(F)c1 ZINC000612760249 422485130 /nfs/dbraw/zinc/48/51/30/422485130.db2.gz WINIOLQKOXFJRH-UHFFFAOYSA-N 0 0 310.292 2.062 10 30 DEEERN C=CCNc1nnc(SC[C@H](O)C[C@@](C)(O)C2CC2)s1 ZINC000634638111 422521665 /nfs/dbraw/zinc/52/16/65/422521665.db2.gz INIMCMARKODBTB-ZWNOBZJWSA-N 0 0 315.464 2.140 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCC[C@](O)(C3CC3)C2)s1 ZINC000622162428 422538049 /nfs/dbraw/zinc/53/80/49/422538049.db2.gz JRGZJFGYXVYERX-OAHLLOKOSA-N 0 0 307.419 2.118 10 30 DEEERN Cc1ccnc(N2CCN(C(=O)Cc3cccc(C#N)c3)CC2)c1 ZINC000532519344 269921793 /nfs/dbraw/zinc/92/17/93/269921793.db2.gz XTLKWWLQVKYLOZ-UHFFFAOYSA-N 0 0 320.396 2.153 10 30 DEEERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc(C#N)cn1)CC2 ZINC000533779559 269996903 /nfs/dbraw/zinc/99/69/03/269996903.db2.gz YHCDRUAAEBQELZ-UHFFFAOYSA-N 0 0 319.364 2.397 10 30 DEEERN CCC1(CC)CN(C(=O)Cc2ccc(C#N)cc2)CC[S@]1=O ZINC000186735724 266010974 /nfs/dbraw/zinc/01/09/74/266010974.db2.gz YBYYFWSTBIYZPT-QFIPXVFZSA-N 0 0 318.442 2.250 10 30 DEEERN C=CCOc1ccc(CNc2nccn(C(F)F)c2=O)cc1 ZINC000340885596 424950670 /nfs/dbraw/zinc/95/06/70/424950670.db2.gz VOUSDVDJQPXXSN-UHFFFAOYSA-N 0 0 307.300 2.815 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000342105298 424959790 /nfs/dbraw/zinc/95/97/90/424959790.db2.gz WYMABPOMGDDOAE-LBPRGKRZSA-N 0 0 309.373 2.988 10 30 DEEERN C=C(C)Cn1c(Nc2ccn(C)n2)nnc1[C@H]1CCCS1 ZINC000424248298 424992557 /nfs/dbraw/zinc/99/25/57/424992557.db2.gz OBENLPCBZRNJOA-LLVKDONJSA-N 0 0 304.423 2.899 10 30 DEEERN C=CCC1(C(=O)Nc2ccn(CC(F)(F)F)n2)CCOCC1 ZINC000424739676 424993821 /nfs/dbraw/zinc/99/38/21/424993821.db2.gz QPQBKNVWSJHJRU-UHFFFAOYSA-N 0 0 317.311 2.757 10 30 DEEERN N#Cc1cc(NC(=O)[C@@H]2CNC(=O)C2)ccc1Oc1ccccc1 ZINC000186260701 268010570 /nfs/dbraw/zinc/01/05/70/268010570.db2.gz JTWNZHCAPJIRLT-ZDUSSCGKSA-N 0 0 321.336 2.425 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccc(N3CCNC3=O)cc2)c1 ZINC000531149413 268277434 /nfs/dbraw/zinc/27/74/34/268277434.db2.gz XAVMLMRBSKIYFI-UHFFFAOYSA-N 0 0 320.352 2.269 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2cnn(CC(F)(F)F)c2)c1 ZINC000530669880 268278329 /nfs/dbraw/zinc/27/83/29/268278329.db2.gz QYFIXHQTCSYWFS-UHFFFAOYSA-N 0 0 308.263 2.498 10 30 DEEERN Cc1nccc(CN2CCN(c3cccc(F)c3C#N)CC2)n1 ZINC000507555573 269317956 /nfs/dbraw/zinc/31/79/56/269317956.db2.gz UFBNKVZWKDTBHT-UHFFFAOYSA-N 0 0 311.364 2.118 10 30 DEEERN CCNC(=O)c1ccc(NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000531146226 269658947 /nfs/dbraw/zinc/65/89/47/269658947.db2.gz BPSDGUAJCJGQTI-UHFFFAOYSA-N 0 0 307.353 2.489 10 30 DEEERN O=C1C=CC(Cl)=CC1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000136526860 275016800 /nfs/dbraw/zinc/01/68/00/275016800.db2.gz IFKJHZOFKNWNEB-JLHYYAGUSA-N 0 0 317.688 2.223 10 30 DEEERN C#CCCCS(=O)(=O)N(C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000367787808 275715989 /nfs/dbraw/zinc/71/59/89/275715989.db2.gz UCABGDWWVVRUKZ-CZUORRHYSA-N 0 0 307.415 2.054 10 30 DEEERN C#CCCNC(=O)[C@@H]1CCCCN1C(=O)c1cc(C)cc(C)c1 ZINC000367364364 277673964 /nfs/dbraw/zinc/67/39/64/277673964.db2.gz CWFJFCNTEUIUFW-KRWDZBQOSA-N 0 0 312.413 2.438 10 30 DEEERN C#C[C@H](C)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248507919 277706998 /nfs/dbraw/zinc/70/69/98/277706998.db2.gz ZDWWILVSZVLKNE-ZSGNIPIJSA-N 0 0 322.767 2.136 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000425210464 277778932 /nfs/dbraw/zinc/77/89/32/277778932.db2.gz RFDHAPDHOCBKNP-QWHCGFSZSA-N 0 0 317.451 2.335 10 30 DEEERN N#CC1(C(=O)N[C@@H]2CCCc3c(O)cccc32)CCOCC1 ZINC000190286529 279476259 /nfs/dbraw/zinc/47/62/59/279476259.db2.gz KKPIPKYUXMBORB-CQSZACIVSA-N 0 0 300.358 2.206 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000248391513 280814706 /nfs/dbraw/zinc/81/47/06/280814706.db2.gz DBECSUTUJBQXLS-INMHGKMJSA-N 0 0 313.401 2.405 10 30 DEEERN CC[C@H]1COCCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000115593838 288324565 /nfs/dbraw/zinc/32/45/65/288324565.db2.gz LECNGQCWNSSYSM-NSHDSACASA-N 0 0 314.794 2.011 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCCc1nccs1 ZINC000050450868 281467435 /nfs/dbraw/zinc/46/74/35/281467435.db2.gz WWCZRXUILHWXHR-LLVKDONJSA-N 0 0 301.371 2.141 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCOC[C@@H]1c1ccc(F)cc1 ZINC000456447359 294146353 /nfs/dbraw/zinc/14/63/53/294146353.db2.gz IWIWUMDNMWOFAP-MRXNPFEDSA-N 0 0 313.332 2.250 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CCO1 ZINC000106330148 294825553 /nfs/dbraw/zinc/82/55/53/294825553.db2.gz OFLFYKOTFRMSIM-GARJFASQSA-N 0 0 305.300 2.041 10 30 DEEERN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000329971316 295379603 /nfs/dbraw/zinc/37/96/03/295379603.db2.gz XRAQMRDEHQREHG-LXTVHRRPSA-N 0 0 304.394 2.144 10 30 DEEERN N#CC1(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)CCCCC1 ZINC000408128900 303139640 /nfs/dbraw/zinc/13/96/40/303139640.db2.gz LWDQAJSFQAQQIG-HNNXBMFYSA-N 0 0 317.433 2.321 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000184875172 335092558 /nfs/dbraw/zinc/09/25/58/335092558.db2.gz NAFGYLVWGILBRI-LBPRGKRZSA-N 0 0 310.419 2.478 10 30 DEEERN C=CCn1c([C@H]2CCOC2)nnc1N1CCC(C)(C#N)CC1 ZINC000558677431 331934709 /nfs/dbraw/zinc/93/47/09/331934709.db2.gz RUHJXBKMJOCBPR-ZDUSSCGKSA-N 0 0 301.394 2.098 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000186654515 332940064 /nfs/dbraw/zinc/94/00/64/332940064.db2.gz KMGVMWPLBMXXJE-GFCCVEGCSA-N 0 0 323.336 2.062 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000566275473 332307091 /nfs/dbraw/zinc/30/70/91/332307091.db2.gz CPIPIVXYAIVJIZ-KBXIAJHMSA-N 0 0 323.433 2.404 10 30 DEEERN Cc1nc(C(=O)N(C)c2ccc(C(F)(F)F)nn2)ccc1C#N ZINC000583360401 332352283 /nfs/dbraw/zinc/35/22/83/332352283.db2.gz CMCLWSJNRCPQBK-UHFFFAOYSA-N 0 0 321.262 2.347 10 30 DEEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCOCC1CCC1 ZINC000562279470 332567319 /nfs/dbraw/zinc/56/73/19/332567319.db2.gz VSTBKSHEWBVETM-QGZVFWFLSA-N 0 0 324.421 2.181 10 30 DEEERN N#Cc1ccc(C2(C(=O)Nc3nc4ccc(F)cn4n3)CC2)cc1 ZINC000189172107 333065303 /nfs/dbraw/zinc/06/53/03/333065303.db2.gz XPUOSWWUQZJKNF-UHFFFAOYSA-N 0 0 321.315 2.410 10 30 DEEERN C=CCCCCCNC(=O)c1cc(N2CCOCC2)ccn1 ZINC000516661904 333115282 /nfs/dbraw/zinc/11/52/82/333115282.db2.gz PZHDHEVPFZVFQN-UHFFFAOYSA-N 0 0 303.406 2.394 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000185708266 333370696 /nfs/dbraw/zinc/37/06/96/333370696.db2.gz CWLVIJLCONEFNT-ZDUSSCGKSA-N 0 0 305.765 2.193 10 30 DEEERN C=CCCCCCNC(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000571296652 333713479 /nfs/dbraw/zinc/71/34/79/333713479.db2.gz WGCVAOJZFANNIA-UHFFFAOYSA-N 0 0 305.426 2.430 10 30 DEEERN C[C@H](Oc1cccc(CO)c1)C(=O)N(CC#N)C1CCCC1 ZINC000163544290 333781883 /nfs/dbraw/zinc/78/18/83/333781883.db2.gz QIGYKGUFPLZDIV-ZDUSSCGKSA-N 0 0 302.374 2.241 10 30 DEEERN CCc1csc(NC(=O)C(=O)NCC2CCC(C#N)CC2)n1 ZINC000443339322 338448770 /nfs/dbraw/zinc/44/87/70/338448770.db2.gz CCVMHEVPKGVPMS-UHFFFAOYSA-N 0 0 320.418 2.090 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2C[C@@H](OCC)[C@@H]2n2cccn2)CCC1 ZINC000342134256 334513054 /nfs/dbraw/zinc/51/30/54/334513054.db2.gz YFMDJIVFRGTUEQ-RBSFLKMASA-N 0 0 303.406 2.464 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)N[C@H](CC2CCCCC2)C1=O ZINC000584345957 335651727 /nfs/dbraw/zinc/65/17/27/335651727.db2.gz LIXCPHKMLDOVAQ-ZNMIVQPWSA-N 0 0 306.406 2.468 10 30 DEEERN C=CCOC[C@@H](NC(=O)C[C@H]1CCCC(C)(C)C1)C(=O)OC ZINC000360724693 336720431 /nfs/dbraw/zinc/72/04/31/336720431.db2.gz DQCPQQAHSAHEHK-ZIAGYGMSSA-N 0 0 311.422 2.453 10 30 DEEERN C=CCC[C@H](CO)NS(=O)(=O)c1cccc(Cl)c1C ZINC000321123451 337199956 /nfs/dbraw/zinc/19/99/56/337199956.db2.gz QMDHOYDETNLUIN-LLVKDONJSA-N 0 0 303.811 2.254 10 30 DEEERN C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H](CO)CC(C)C)CC1 ZINC000185384206 337204661 /nfs/dbraw/zinc/20/46/61/337204661.db2.gz UFBQVQAHDFFRQB-MRXNPFEDSA-N 0 0 311.470 2.075 10 30 DEEERN CCOC(=O)[C@@]1(C)CC(=O)Nc2c1c(C#N)cn2C(C)(C)C ZINC000584662391 337378355 /nfs/dbraw/zinc/37/83/55/337378355.db2.gz ZIIFIBRYSIGZLM-INIZCTEOSA-N 0 0 303.362 2.278 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000135385484 337451592 /nfs/dbraw/zinc/45/15/92/337451592.db2.gz SJXNNTXKSBAKDA-XJKSGUPXSA-N 0 0 305.374 2.273 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N(C)CCc1ccccc1OC ZINC000572457242 337662176 /nfs/dbraw/zinc/66/21/76/337662176.db2.gz HLCYQMFEELIAFM-CABCVRRESA-N 0 0 304.390 2.223 10 30 DEEERN C=CCn1c(N2C[C@H](C)O[C@@H](CC)C2)nnc1[C@@]1(C)CCCO1 ZINC000515337308 337986054 /nfs/dbraw/zinc/98/60/54/337986054.db2.gz YHTXPKLXGAVMGW-GRDNDAEWSA-N 0 0 320.437 2.493 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[C@H](C)[C@@H]1C ZINC000516150953 338005511 /nfs/dbraw/zinc/00/55/11/338005511.db2.gz ROFXDMDSDLIION-RYUDHWBXSA-N 0 0 315.425 2.193 10 30 DEEERN CC#CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000542669982 341016571 /nfs/dbraw/zinc/01/65/71/341016571.db2.gz DZCVELKWSWIBDI-CYBMUJFWSA-N 0 0 316.426 2.291 10 30 DEEERN CC#CCCNC(=O)[C@H]1CCCN1c1ncnc2ccccc21 ZINC000543605098 341050856 /nfs/dbraw/zinc/05/08/56/341050856.db2.gz ITXAISAVQZRKHW-MRXNPFEDSA-N 0 0 308.385 2.128 10 30 DEEERN CC#CCCNC(=O)[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000543605097 341050878 /nfs/dbraw/zinc/05/08/78/341050878.db2.gz ITXAISAVQZRKHW-INIZCTEOSA-N 0 0 308.385 2.128 10 30 DEEERN C=CCn1c(CC)nnc1N1CCC(C(=O)N(CC)CC)CC1 ZINC000548852570 341278105 /nfs/dbraw/zinc/27/81/05/341278105.db2.gz RLSXYIRJPKDVMH-UHFFFAOYSA-N 0 0 319.453 2.111 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@H](CC(C)C)C1 ZINC000548853486 341278144 /nfs/dbraw/zinc/27/81/44/341278144.db2.gz AJHNPJPOUDKACE-CABCVRRESA-N 0 0 320.437 2.424 10 30 DEEERN C[C@H](C#N)CNC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000248453077 341378222 /nfs/dbraw/zinc/37/82/22/341378222.db2.gz QHPMGTULHKZUTO-JMSVASOKSA-N 0 0 305.353 2.457 10 30 DEEERN C=CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000554642331 341460230 /nfs/dbraw/zinc/46/02/30/341460230.db2.gz HRTRNNSUQYSWLQ-KBPBESRZSA-N 0 0 312.421 2.491 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CC12CCSCC2 ZINC000568154145 341654392 /nfs/dbraw/zinc/65/43/92/341654392.db2.gz VTCISCNLSXNWEY-MJBXVCDLSA-N 0 0 310.463 2.410 10 30 DEEERN C=CC[C@H](CO)CNC(=O)CC1CCC(C(=O)OCC)CC1 ZINC000568273539 341662932 /nfs/dbraw/zinc/66/29/32/341662932.db2.gz FJSQOIBHYQVJAG-SLTAFYQDSA-N 0 0 311.422 2.047 10 30 DEEERN C=CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC[C@H]21 ZINC000573527840 341730973 /nfs/dbraw/zinc/73/09/73/341730973.db2.gz GYGBFSBHGIBUJX-CHWSQXEVSA-N 0 0 324.388 2.100 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)Cn1ncc2ccccc21 ZINC000576030482 341821335 /nfs/dbraw/zinc/82/13/35/341821335.db2.gz YJVMAOPXMCCGKN-KMFMINBZSA-N 0 0 313.401 2.380 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1c(F)cncc1F ZINC000576509807 341849866 /nfs/dbraw/zinc/84/98/66/341849866.db2.gz FSEPUIFWUQMRPR-NRUUGDAUSA-N 0 0 311.332 2.311 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc2c(c1)CCO2 ZINC000576578631 341853213 /nfs/dbraw/zinc/85/32/13/341853213.db2.gz DFOPBSHIOOOOTR-GJZGRUSLSA-N 0 0 302.374 2.012 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000576578354 341853249 /nfs/dbraw/zinc/85/32/49/341853249.db2.gz OIRSHZYTDVHPTI-JQWIXIFHSA-N 0 0 303.387 2.459 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N(C)C[C@H]1CC=CCC1 ZINC000577771347 341936106 /nfs/dbraw/zinc/93/61/06/341936106.db2.gz ILMQNLNQZGRXGO-LSDHHAIUSA-N 0 0 318.421 2.345 10 30 DEEERN C=CCOC[C@H]1NC(=O)N([C@H]2C[C@H](c3ccccc3C)C2)C1=O ZINC000348650790 341954499 /nfs/dbraw/zinc/95/44/99/341954499.db2.gz HZEAGILSGIUZEL-IIAWOOMASA-N 0 0 314.385 2.364 10 30 DEEERN COc1ccc(C(=O)C#Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000013683349 500630827 /nfs/dbraw/zinc/63/08/27/500630827.db2.gz LMOLTVREAPCOOR-UHFFFAOYSA-N 0 0 314.362 2.333 10 30 DEEERN C[C@@H]1CCC[C@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000369219652 533848675 /nfs/dbraw/zinc/84/86/75/533848675.db2.gz PFJZVCQERYBNOY-YCPHGPKFSA-N 0 0 304.438 2.194 10 30 DEEERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc(C#N)[nH]1)CC2 ZINC000339466258 518412948 /nfs/dbraw/zinc/41/29/48/518412948.db2.gz IRSHEVHKOWZOQU-UHFFFAOYSA-N 0 0 307.353 2.330 10 30 DEEERN C=CC[C@H](CC)NC(=O)NCc1nn(C)cc1Br ZINC000454904856 534370717 /nfs/dbraw/zinc/37/07/17/534370717.db2.gz GDAHVPWSCUGQIC-VIFPVBQESA-N 0 0 315.215 2.337 10 30 DEEERN C=C(CC)CNC(=O)C(=O)Nc1cc(OC)cc(OC)c1C ZINC000454054943 534405477 /nfs/dbraw/zinc/40/54/77/534405477.db2.gz WLUVWRHSFMZQRA-UHFFFAOYSA-N 0 0 306.362 2.033 10 30 DEEERN C=C(CC)CNC(=O)NCc1ncn(Cc2cccc(F)c2)n1 ZINC000454823844 534410382 /nfs/dbraw/zinc/41/03/82/534410382.db2.gz JTWFQKSTTUPBTC-UHFFFAOYSA-N 0 0 317.368 2.231 10 30 DEEERN CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000157384618 519375583 /nfs/dbraw/zinc/37/55/83/519375583.db2.gz BYCKBJXWTMZSIT-HOCLYGCPSA-N 0 0 316.401 2.383 10 30 DEEERN CC(=O)N(C)c1cccc(NC(=O)Cc2noc(C)c2C#N)c1 ZINC000354546992 519456162 /nfs/dbraw/zinc/45/61/62/519456162.db2.gz ZLUZBTDJRNDJGO-UHFFFAOYSA-N 0 0 312.329 2.019 10 30 DEEERN C=CCn1c(N2CCSC[C@@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000453447002 534441724 /nfs/dbraw/zinc/44/17/24/534441724.db2.gz WZDMPVGVGWEWOA-SWLSCSKDSA-N 0 0 308.451 2.431 10 30 DEEERN C=CCn1c(N(CC)C[C@@H]2CCCO2)nnc1[C@]1(C)CCCO1 ZINC000453448147 534442733 /nfs/dbraw/zinc/44/27/33/534442733.db2.gz YCLPEUOTUCSVTE-YOEHRIQHSA-N 0 0 320.437 2.495 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC1(C)COC1 ZINC000112616654 519801174 /nfs/dbraw/zinc/80/11/74/519801174.db2.gz QVTULSUTPPLTMO-OAHLLOKOSA-N 0 0 302.374 2.114 10 30 DEEERN Cc1nc(N2C[C@@H](C)[C@H](N3CCOCC3)C2)c(Cl)cc1C#N ZINC000292354428 534450497 /nfs/dbraw/zinc/45/04/97/534450497.db2.gz CFYYZJHULPCHMA-IAQYHMDHSA-N 0 0 320.824 2.072 10 30 DEEERN N#CC1CCC(CNC(=O)NCCCOC[C@@H]2CCCO2)CC1 ZINC000442471041 534580522 /nfs/dbraw/zinc/58/05/22/534580522.db2.gz VBIUYOUXDZDJLE-GPANFISMSA-N 0 0 323.437 2.201 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000452156445 534582097 /nfs/dbraw/zinc/58/20/97/534582097.db2.gz CREYEXPIPRCAOF-DOMZBBRYSA-N 0 0 314.341 2.484 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000452933874 534604976 /nfs/dbraw/zinc/60/49/76/534604976.db2.gz UQXURILZCJSLJU-KGLIPLIRSA-N 0 0 301.321 2.289 10 30 DEEERN CC(=O)N[C@H](CC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000253490066 534622807 /nfs/dbraw/zinc/62/28/07/534622807.db2.gz HJQWUIKUGFRMNQ-GOSISDBHSA-N 0 0 321.380 2.442 10 30 DEEERN N#CCc1ccc(NC(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000174716368 534722797 /nfs/dbraw/zinc/72/27/97/534722797.db2.gz JXPQUKFGVZDUMO-HNNXBMFYSA-N 0 0 310.361 2.213 10 30 DEEERN Cc1ncsc1CNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000328631253 534787862 /nfs/dbraw/zinc/78/78/62/534787862.db2.gz QRUCFGPADGMOBT-WCQYABFASA-N 0 0 306.391 2.419 10 30 DEEERN N#Cc1ccnc(NC(=O)CCN2C(=O)CCc3ccccc32)c1 ZINC000435998174 534824181 /nfs/dbraw/zinc/82/41/81/534824181.db2.gz VMRBWELDZLTDJO-UHFFFAOYSA-N 0 0 320.352 2.261 10 30 DEEERN C=CCN(CCOC)C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000191962362 526295156 /nfs/dbraw/zinc/29/51/56/526295156.db2.gz VPDFGXBAPBSEPY-LSDHHAIUSA-N 0 0 317.385 2.222 10 30 DEEERN CC#CCN(C)C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000297586805 526347690 /nfs/dbraw/zinc/34/76/90/526347690.db2.gz IEHYKIXLCRHNCF-HNNXBMFYSA-N 0 0 315.417 2.186 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)COC(F)F ZINC000351590829 526348855 /nfs/dbraw/zinc/34/88/55/526348855.db2.gz ZMMMCIVKSSWYQV-UHFFFAOYSA-N 0 0 300.261 2.349 10 30 DEEERN CNC(=O)[C@@H]1CCCN(C(=O)Nc2cn(C)nc2C2CC2)C1 ZINC000329814869 526403900 /nfs/dbraw/zinc/40/39/00/526403900.db2.gz NTELQRDAKOTFEC-LLVKDONJSA-N 0 0 305.382 2.141 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)C(C)(C)c2cccs2)C1=O ZINC000281426214 526458956 /nfs/dbraw/zinc/45/89/56/526458956.db2.gz QKCURNBNYHHQAQ-GFCCVEGCSA-N 0 0 306.431 2.271 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@H](CC)c2c(C)noc2C)C1=O ZINC000341614054 526496215 /nfs/dbraw/zinc/49/62/15/526496215.db2.gz NTPMUIBEBMQBNH-KGLIPLIRSA-N 0 0 319.405 2.030 10 30 DEEERN C=CCNC(=O)[C@@H](C)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000245927342 526625522 /nfs/dbraw/zinc/62/55/22/526625522.db2.gz XULWXVYEGZMVOA-CJNGLKHVSA-N 0 0 306.381 2.198 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)c2ccc(C#N)nc2)cc1 ZINC000115037543 526651381 /nfs/dbraw/zinc/65/13/81/526651381.db2.gz IVHXBWAIBQWUOV-UHFFFAOYSA-N 0 0 306.325 2.121 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000369289565 526669720 /nfs/dbraw/zinc/66/97/20/526669720.db2.gz BJHCDOXXGYOZGM-UHFFFAOYSA-N 0 0 320.396 2.098 10 30 DEEERN C#CCCCCNC(=O)N1CCC(c2nccc(C)n2)CC1 ZINC000368217843 526696426 /nfs/dbraw/zinc/69/64/26/526696426.db2.gz ATAOBNSFSICZOY-UHFFFAOYSA-N 0 0 300.406 2.478 10 30 DEEERN C#CCCCCNC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000156531754 526704954 /nfs/dbraw/zinc/70/49/54/526704954.db2.gz MXYOECJHKLASIX-LBPRGKRZSA-N 0 0 320.339 2.237 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000341486089 526710534 /nfs/dbraw/zinc/71/05/34/526710534.db2.gz MQYFTIHOCSHTOX-ZDUSSCGKSA-N 0 0 306.381 2.203 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(C(=O)c2ccncc2)C1 ZINC000372012147 526713618 /nfs/dbraw/zinc/71/36/18/526713618.db2.gz VWLSBZQMODCVBD-ZFWWWQNUSA-N 0 0 301.390 2.015 10 30 DEEERN C#CCCCS(=O)(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000376291705 526719780 /nfs/dbraw/zinc/71/97/80/526719780.db2.gz WPGWNBSNCAYBHZ-UHFFFAOYSA-N 0 0 320.389 2.408 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CCC(C(=O)N(CC)CC)CC1 ZINC000338807973 526723659 /nfs/dbraw/zinc/72/36/59/526723659.db2.gz FJNRMDMRCJHAAT-UHFFFAOYSA-N 0 0 319.453 2.247 10 30 DEEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCOCC1 ZINC000338803258 526729476 /nfs/dbraw/zinc/72/94/76/526729476.db2.gz KMASWLAHBGCVRX-UHFFFAOYSA-N 0 0 302.378 2.069 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1cc(-c2ccccc2)cnc1C ZINC000371177843 526731212 /nfs/dbraw/zinc/73/12/12/526731212.db2.gz PZVWRZYVWFKXPV-UHFFFAOYSA-N 0 0 307.353 2.135 10 30 DEEERN C#CCCS(=O)(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000367959092 526752096 /nfs/dbraw/zinc/75/20/96/526752096.db2.gz WAKPCZIOEFZDBY-JTQLQIEISA-N 0 0 320.197 2.370 10 30 DEEERN C=CCOCCNC(=O)N1CCC(Oc2ccncc2C)CC1 ZINC000373092061 526774219 /nfs/dbraw/zinc/77/42/19/526774219.db2.gz GQZAVDHWNYUFHP-UHFFFAOYSA-N 0 0 319.405 2.145 10 30 DEEERN C=CCOCCNC(=O)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000371645604 526782114 /nfs/dbraw/zinc/78/21/14/526782114.db2.gz IUHPYSLFXUKHFU-CYBMUJFWSA-N 0 0 322.430 2.062 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000331794394 526799435 /nfs/dbraw/zinc/79/94/35/526799435.db2.gz QQLRSDIPQYSRHP-JDFRZJQESA-N 0 0 314.385 2.210 10 30 DEEERN C=C(C)[C@H](CC(=O)NCc1nccn1CC(F)(F)F)OCC ZINC000339303001 526813512 /nfs/dbraw/zinc/81/35/12/526813512.db2.gz QRTKHGBKJPNQHB-NSHDSACASA-N 0 0 319.327 2.433 10 30 DEEERN C=C(C)[C@H](CC(=O)Nc1cccnc1OCCOC)OCC ZINC000339302533 526816913 /nfs/dbraw/zinc/81/69/13/526816913.db2.gz CUMIWHFFMYVTBJ-AWEZNQCLSA-N 0 0 308.378 2.417 10 30 DEEERN C=C(C)[C@H](NC(=O)N[C@H]1CCCNC1=O)c1ccc(F)c(F)c1 ZINC000298530513 526818901 /nfs/dbraw/zinc/81/89/01/526818901.db2.gz XPJLHFGCXBXWCI-KBPBESRZSA-N 0 0 323.343 2.160 10 30 DEEERN C=C(CNC(=O)N1CCC[C@H](NC(=O)CC)C1)c1ccccc1 ZINC000358595840 526867435 /nfs/dbraw/zinc/86/74/35/526867435.db2.gz VJKARZONNMHCKK-INIZCTEOSA-N 0 0 315.417 2.400 10 30 DEEERN C=C(Cl)CNC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000373879656 526889255 /nfs/dbraw/zinc/88/92/55/526889255.db2.gz HORHQORVWUVCME-OLZOCXBDSA-N 0 0 313.829 2.219 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)N2CCC23CCC3)c1 ZINC000441533869 526906835 /nfs/dbraw/zinc/90/68/35/526906835.db2.gz IWJGJXIYHYLGPE-UHFFFAOYSA-N 0 0 300.358 2.345 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000370974881 526923982 /nfs/dbraw/zinc/92/39/82/526923982.db2.gz VSLOWNNRKNFDQJ-HNNXBMFYSA-N 0 0 311.385 2.064 10 30 DEEERN C=CCOc1ccccc1C(=O)NCc1ncnn1C(C)C ZINC000280839321 526926459 /nfs/dbraw/zinc/92/64/59/526926459.db2.gz VDWMDTBCMFUFNJ-UHFFFAOYSA-N 0 0 300.362 2.354 10 30 DEEERN C=CCSCCNC(=O)NCc1ccc(C#N)c(OC)c1 ZINC000357731588 526994266 /nfs/dbraw/zinc/99/42/66/526994266.db2.gz PWAGWXGEFOJBSO-UHFFFAOYSA-N 0 0 305.403 2.285 10 30 DEEERN C=CCC1(C(=O)N2CC[C@H](OCCOCC)C2)CCOCC1 ZINC000424728168 527047876 /nfs/dbraw/zinc/04/78/76/527047876.db2.gz AZXASFDPMIOESW-HNNXBMFYSA-N 0 0 311.422 2.013 10 30 DEEERN C=CCC1(c2nc(-c3ccc(S(N)(=O)=O)cc3)no2)CCC1 ZINC000338005039 527065214 /nfs/dbraw/zinc/06/52/14/527065214.db2.gz VTFPTGRPGJSPFE-UHFFFAOYSA-N 0 0 319.386 2.382 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000341661803 527066605 /nfs/dbraw/zinc/06/66/05/527066605.db2.gz UKCKDXUXRFJXQK-CHWSQXEVSA-N 0 0 322.405 2.249 10 30 DEEERN C=CCCC(=O)N1CCCN(C(=O)c2cc(Cl)cn2C)CC1 ZINC000368886030 527069730 /nfs/dbraw/zinc/06/97/30/527069730.db2.gz TUHYWIJDLYVUDE-UHFFFAOYSA-N 0 0 323.824 2.319 10 30 DEEERN C#CCO[C@@H](C)C(=O)N1CCC[C@H]1Cc1ccccc1OC ZINC000294811701 527070330 /nfs/dbraw/zinc/07/03/30/527070330.db2.gz VHBRRIDVFDZBGL-HOCLYGCPSA-N 0 0 301.386 2.267 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H](O)[C@H]1C ZINC000296802689 527111736 /nfs/dbraw/zinc/11/17/36/527111736.db2.gz ITIWELRPYJEGNZ-BXUZGUMPSA-N 0 0 306.337 2.215 10 30 DEEERN C#CCOc1ccccc1NC(=O)C[C@H]1CCOC[C@H]1OC ZINC000295676732 527132593 /nfs/dbraw/zinc/13/25/93/527132593.db2.gz GPRPZNYDVVHZFD-CZUORRHYSA-N 0 0 303.358 2.079 10 30 DEEERN C#CCOc1ccccc1NC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000373802030 527133581 /nfs/dbraw/zinc/13/35/81/527133581.db2.gz VLZSIZOBDKYTDS-UHFFFAOYSA-N 0 0 323.352 2.389 10 30 DEEERN C=CC[C@H](CC)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C ZINC000341644894 527159562 /nfs/dbraw/zinc/15/95/62/527159562.db2.gz GFIYTTDNDQWVBF-ZFWWWQNUSA-N 0 0 303.406 2.307 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](OC)C1 ZINC000287450442 527160868 /nfs/dbraw/zinc/16/08/68/527160868.db2.gz QOUDHZGINFSPLE-IRXDYDNUSA-N 0 0 300.402 2.441 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@](C)(O)CCC ZINC000288118941 527161540 /nfs/dbraw/zinc/16/15/40/527161540.db2.gz JXLNDXVZMCACSM-FUHWJXTLSA-N 0 0 302.418 2.471 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](O)C(C)(C)C1 ZINC000288238054 527172356 /nfs/dbraw/zinc/17/23/56/527172356.db2.gz SAZFPJMPQWNDMF-IAGOWNOFSA-N 0 0 314.429 2.423 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NS(=O)(=O)C[C@@H](C)COCC ZINC000295863360 527173420 /nfs/dbraw/zinc/17/34/20/527173420.db2.gz FFNPODWJIZFXTA-DOTOQJQBSA-N 0 0 323.458 2.213 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000376298616 527173455 /nfs/dbraw/zinc/17/34/55/527173455.db2.gz CVXDAQAINWKYLO-SJORKVTESA-N 0 0 322.412 2.201 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC000376219884 527174065 /nfs/dbraw/zinc/17/40/65/527174065.db2.gz GZUHEYWLHQLYBN-IAGOWNOFSA-N 0 0 307.397 2.196 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc2n[nH]cc2c(C)c1 ZINC000411263302 527180635 /nfs/dbraw/zinc/18/06/35/527180635.db2.gz UYXAQJCXRUZNIQ-UHFFFAOYSA-N 0 0 300.362 2.234 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000183659174 527197276 /nfs/dbraw/zinc/19/72/76/527197276.db2.gz SCJGHSAXHXWPTI-WCQYABFASA-N 0 0 307.350 2.200 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000248643698 527199988 /nfs/dbraw/zinc/19/99/88/527199988.db2.gz RVAHEHJUXKXXKG-KFWWJZLASA-N 0 0 310.438 2.351 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000337261486 527202026 /nfs/dbraw/zinc/20/20/26/527202026.db2.gz YBTIAHYZCGPSRO-GFCCVEGCSA-N 0 0 304.325 2.070 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000338805438 527209716 /nfs/dbraw/zinc/20/97/16/527209716.db2.gz BUGOAGNGSMBWGS-UHFFFAOYSA-N 0 0 315.295 2.430 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cccc(-c2nccc(C)n2)c1 ZINC000448376209 527210288 /nfs/dbraw/zinc/21/02/88/527210288.db2.gz OSMLEFTYSGYUBQ-UHFFFAOYSA-N 0 0 324.384 2.473 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cccc(-c2ccnc(C)n2)c1 ZINC000448378587 527211064 /nfs/dbraw/zinc/21/10/64/527211064.db2.gz VOBREYGEWSPFHU-UHFFFAOYSA-N 0 0 324.384 2.473 10 30 DEEERN C=CCCCNC(=O)N1CCN(c2cccc(OC)c2)CC1 ZINC000448031433 527218967 /nfs/dbraw/zinc/21/89/67/527218967.db2.gz PZEOKGDWQQUNMO-UHFFFAOYSA-N 0 0 303.406 2.493 10 30 DEEERN C#C[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000186108860 527223287 /nfs/dbraw/zinc/22/32/87/527223287.db2.gz CFYGMXAWFSYCHT-RLAWYHOSSA-N 0 0 321.421 2.238 10 30 DEEERN C=CCCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000344452387 527226062 /nfs/dbraw/zinc/22/60/62/527226062.db2.gz XDGUSFGTRUFPEQ-RDJZCZTQSA-N 0 0 316.401 2.297 10 30 DEEERN CC(=O)c1ccc(C#N)c(NC[C@H](C)N2CCOC[C@@H]2C)c1 ZINC000302041188 527226931 /nfs/dbraw/zinc/22/69/31/527226931.db2.gz RLLCMBFTGKOQBI-STQMWFEESA-N 0 0 301.390 2.282 10 30 DEEERN C=CCc1cc(C(=O)N2C[C@@H](O)CC[C@@H]2C)cc(OC)c1OC ZINC000422012375 527231871 /nfs/dbraw/zinc/23/18/71/527231871.db2.gz QKGJFUYFEOEHMV-WFASDCNBSA-N 0 0 319.401 2.418 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C ZINC000341466272 527291468 /nfs/dbraw/zinc/29/14/68/527291468.db2.gz VQURYWHMTVLNKQ-MJBXVCDLSA-N 0 0 300.443 2.188 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC000283375152 527305313 /nfs/dbraw/zinc/30/53/13/527305313.db2.gz CQOKDYKMGIVNIG-UHFFFAOYSA-N 0 0 312.421 2.459 10 30 DEEERN C=CCCN(C)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000342043933 527313921 /nfs/dbraw/zinc/31/39/21/527313921.db2.gz VCPVQGCOYFJMFU-WBVHZDCISA-N 0 0 316.401 2.249 10 30 DEEERN C=CCCOCCNC(=O)c1ccnc(N2CC[C@H](C)C2)c1 ZINC000339859043 527365149 /nfs/dbraw/zinc/36/51/49/527365149.db2.gz LXIASMKRPUBUOS-AWEZNQCLSA-N 0 0 303.406 2.250 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CC(O)(c2ccc(Cl)cc2)C1 ZINC000375026826 527388662 /nfs/dbraw/zinc/38/86/62/527388662.db2.gz FRJWZMGNJVPBRD-GFCCVEGCSA-N 0 0 309.793 2.351 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CCCN(CC(F)F)CC2)cc1 ZINC000297676849 527435936 /nfs/dbraw/zinc/43/59/36/527435936.db2.gz PKHFRILKCJJQHB-UHFFFAOYSA-N 0 0 321.371 2.150 10 30 DEEERN C#Cc1ccc(CNC(=O)NCc2ncnn2C(C)(C)C)cc1 ZINC000296728573 527437452 /nfs/dbraw/zinc/43/74/52/527437452.db2.gz FKTSKKOQOICNDX-UHFFFAOYSA-N 0 0 311.389 2.014 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000190149748 527443848 /nfs/dbraw/zinc/44/38/48/527443848.db2.gz UQSNOJIFZBKADM-MRXNPFEDSA-N 0 0 322.368 2.083 10 30 DEEERN CC(C)(C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1)S(=O)(=O)C1CC1 ZINC000328846659 527444991 /nfs/dbraw/zinc/44/49/91/527444991.db2.gz XTHGSFZUOFMHEQ-NXEZZACHSA-N 0 0 316.423 2.393 10 30 DEEERN C=CCC[C@H](C(=O)N1CC(C(=O)NCC)C1)c1ccccc1 ZINC000190099485 527462389 /nfs/dbraw/zinc/46/23/89/527462389.db2.gz TWYWXJZKPZIMRZ-INIZCTEOSA-N 0 0 300.402 2.331 10 30 DEEERN C#Cc1ccccc1CC(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000368112522 527464035 /nfs/dbraw/zinc/46/40/35/527464035.db2.gz DWMBSZJWPCVRTH-UHFFFAOYSA-N 0 0 316.364 2.108 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(C(F)F)c1 ZINC000425795962 527491491 /nfs/dbraw/zinc/49/14/91/527491491.db2.gz MKGQDBXPUDTHHL-AAEUAGOBSA-N 0 0 324.327 2.270 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000424931355 527493048 /nfs/dbraw/zinc/49/30/48/527493048.db2.gz JVLIMPCYEKNUDI-JSGCOSHPSA-N 0 0 320.345 2.071 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](COC)c1ccc(C)o1 ZINC000425568062 527495670 /nfs/dbraw/zinc/49/56/70/527495670.db2.gz VJVBCECMZPHGCZ-MJBXVCDLSA-N 0 0 308.378 2.166 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N[C@H]1COc2ccc(F)cc2C1 ZINC000292953023 527533973 /nfs/dbraw/zinc/53/39/73/527533973.db2.gz HGRYCFSJSKAJQC-PBHICJAKSA-N 0 0 307.365 2.474 10 30 DEEERN C=CCN(C)C(=O)C(=O)N(CCC)[C@@H]1CCCc2cccnc21 ZINC000410949765 527554369 /nfs/dbraw/zinc/55/43/69/527554369.db2.gz YKGZPDVOGKWKBH-OAHLLOKOSA-N 0 0 315.417 2.342 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](O)Cc1cccc(OC)c1 ZINC000442652685 527586230 /nfs/dbraw/zinc/58/62/30/527586230.db2.gz OFDHHFUBOXIFMS-ZDUSSCGKSA-N 0 0 317.307 2.176 10 30 DEEERN CC1CCC(N2C[C@H](C(=O)N[C@@H]3CCC[C@@H]3C#N)CC2=O)CC1 ZINC000408332385 528196194 /nfs/dbraw/zinc/19/61/94/528196194.db2.gz WKFLMGXMAWBAND-FSXGRMEGSA-N 0 0 317.433 2.222 10 30 DEEERN CCOC(=O)c1cnc(SCC#Cc2ccccc2)nc1N ZINC000178638239 528304171 /nfs/dbraw/zinc/30/41/71/528304171.db2.gz VOMCBCORUHYSDU-UHFFFAOYSA-N 0 0 313.382 2.379 10 30 DEEERN CC(C)c1nnc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)n1C ZINC000189028139 528429080 /nfs/dbraw/zinc/42/90/80/528429080.db2.gz RHFVPMFCGYDWPQ-UHFFFAOYSA-N 0 0 323.400 2.158 10 30 DEEERN CC1(C)CCCC[C@@H]1CC(=O)N1CCN(C(=O)CC#N)CC1 ZINC000408191553 528916408 /nfs/dbraw/zinc/91/64/08/528916408.db2.gz GSMYUQBZKULHMW-CQSZACIVSA-N 0 0 305.422 2.177 10 30 DEEERN COC(=O)[C@H]1CCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000189557151 536773697 /nfs/dbraw/zinc/77/36/97/536773697.db2.gz BMUNOPXTKHLSFJ-AWEZNQCLSA-N 0 0 312.369 2.001 10 30 DEEERN COc1ccc(O[C@H](C)CNC(=O)c2ccc(C#N)n2C)cc1 ZINC000449971983 536861413 /nfs/dbraw/zinc/86/14/13/536861413.db2.gz MBDHAFGWIQQRRP-GFCCVEGCSA-N 0 0 313.357 2.103 10 30 DEEERN C#CCCCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000186936709 622690825 /nfs/dbraw/zinc/69/08/25/622690825.db2.gz OFHMIFDGYUJLMT-UONOGXRCSA-N 0 0 323.437 2.345 10 30 DEEERN C=C[C@H](C)OC(=O)c1cnn(CCO[C@@H]2CCCCO2)c1C ZINC000187574485 622830925 /nfs/dbraw/zinc/83/09/25/622830925.db2.gz XXZHIFVQIJHPLQ-SWLSCSKDSA-N 0 0 308.378 2.466 10 30 DEEERN CCCn1cc(C=Nn2c(C)csc2=NCCCOC)cn1 ZINC000255011937 622955286 /nfs/dbraw/zinc/95/52/86/622955286.db2.gz YVORSMUVUUVLNI-UHFFFAOYSA-N 0 0 321.450 2.284 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)Nc1nnc(Cl)cc1C(N)=O ZINC000804807320 623250834 /nfs/dbraw/zinc/25/08/34/623250834.db2.gz DZRDMQSQOOMZOL-LBPRGKRZSA-N 0 0 314.776 2.275 10 30 DEEERN CCOc1cc2c(cc1/C=C\C(=O)N[C@H](C)C#N)O[C@H](C)C2 ZINC000255132485 623563022 /nfs/dbraw/zinc/56/30/22/623563022.db2.gz QUDJLPRGZDSTRQ-GKKDLHFNSA-N 0 0 300.358 2.450 10 30 DEEERN C#CCCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000289222943 623573791 /nfs/dbraw/zinc/57/37/91/623573791.db2.gz QZNPJTJSBXPTEB-ZDUSSCGKSA-N 0 0 323.418 2.217 10 30 DEEERN C/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000255140698 623602375 /nfs/dbraw/zinc/60/23/75/623602375.db2.gz RQWYVBDNYDNVQJ-WKGNEAPRSA-N 0 0 315.398 2.364 10 30 DEEERN COc1ccc(CNC(=O)CON=Cc2cccs2)cc1 ZINC000255160584 623661416 /nfs/dbraw/zinc/66/14/16/623661416.db2.gz PPQONHKLMTWVOB-UHFFFAOYSA-N 0 0 304.371 2.424 10 30 DEEERN Cc1ccc(C(=O)N[C@H](C(=O)N[C@@H](C#N)C2CC2)C(C)C)cc1 ZINC000161820032 625195169 /nfs/dbraw/zinc/19/51/69/625195169.db2.gz DUFRKILTCARUEJ-HOTGVXAUSA-N 0 0 313.401 2.168 10 30 DEEERN Cc1noc(CCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000190718084 634729285 /nfs/dbraw/zinc/72/92/85/634729285.db2.gz JQZPCINQBDIGKF-UHFFFAOYSA-N 0 0 323.274 2.107 10 30 DEEERN C=C(C)CN(CC)C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000725987347 634826224 /nfs/dbraw/zinc/82/62/24/634826224.db2.gz LGYWHXPPDTVHIN-UHFFFAOYSA-N 0 0 320.345 2.485 10 30 DEEERN C#CCOc1ccc([C@H](C)OC(=O)c2cccn(C)c2=O)cc1 ZINC000733697916 633270373 /nfs/dbraw/zinc/27/03/73/633270373.db2.gz PGBHBKBBISKJGJ-ZDUSSCGKSA-N 0 0 311.337 2.315 10 30 DEEERN C=C(COC(=O)c1ccccc1-n1cccn1)C(=O)OCC ZINC000734027746 633312724 /nfs/dbraw/zinc/31/27/24/633312724.db2.gz XIYXTALYHJSVLH-UHFFFAOYSA-N 0 0 300.314 2.148 10 30 DEEERN C=C(COC(=O)c1ccc(-c2ncon2)cc1)C(=O)OCC ZINC000734033669 633313832 /nfs/dbraw/zinc/31/38/32/633313832.db2.gz UUVAKWYXURYIGG-UHFFFAOYSA-N 0 0 302.286 2.013 10 30 DEEERN C=C(COC(=O)c1cc(Cl)c(N)cc1OC)C(=O)OCC ZINC000734024990 633317477 /nfs/dbraw/zinc/31/74/77/633317477.db2.gz WCLZRGONWWQWMR-UHFFFAOYSA-N 0 0 313.737 2.207 10 30 DEEERN N#CCOc1ccc(Cl)cc1COC(=O)c1cnccn1 ZINC000735333674 633503538 /nfs/dbraw/zinc/50/35/38/633503538.db2.gz KHPDLVIJUBKJCZ-UHFFFAOYSA-N 0 0 303.705 2.389 10 30 DEEERN C#CCOc1ccc([C@@H](C)OC(=O)COC2CCOCC2)cc1 ZINC000735396910 633507144 /nfs/dbraw/zinc/50/71/44/633507144.db2.gz FKKWXBQFWSEASK-CQSZACIVSA-N 0 0 318.369 2.498 10 30 DEEERN CC#CCCCC(=O)OC[C@@H]1CCCN1c1ccc(C)nn1 ZINC000186312675 634125997 /nfs/dbraw/zinc/12/59/97/634125997.db2.gz OUGFSMWJRNLJBE-HNNXBMFYSA-N 0 0 301.390 2.491 10 30 DEEERN C#Cc1cccc(NC(=S)N(C)CC(=O)NC(C)(C)C)c1 ZINC000726449098 636433243 /nfs/dbraw/zinc/43/32/43/636433243.db2.gz XBMGOZPZSDXDGK-UHFFFAOYSA-N 0 0 303.431 2.211 10 30 DEEERN C[C@H](C#N)CNC(=O)c1cnccc1NC(=O)OC(C)(C)C ZINC000186807129 636567701 /nfs/dbraw/zinc/56/77/01/636567701.db2.gz KCQZQUKEBVMNLJ-SNVBAGLBSA-N 0 0 304.350 2.318 10 30 DEEERN C#Cc1cccc(N(CC)C(=O)Cn2c3ccccc3[nH]c2=O)c1 ZINC000103101486 637583306 /nfs/dbraw/zinc/58/33/06/637583306.db2.gz ABIVELOFWZQLSZ-UHFFFAOYSA-N 0 0 319.364 2.364 10 30 DEEERN CC#CCCCC(=O)N(C)S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000186204770 637634674 /nfs/dbraw/zinc/63/46/74/637634674.db2.gz JPDYCYOAOKFKRT-UHFFFAOYSA-N 0 0 321.398 2.230 10 30 DEEERN C=CCn1c(C)nn(CN2CCOC[C@H]2C(F)(F)F)c1=S ZINC000739863269 637729784 /nfs/dbraw/zinc/72/97/84/637729784.db2.gz MEWJCTVXHJSTIG-JTQLQIEISA-N 0 0 322.356 2.129 10 30 DEEERN C=CCN(CC(F)(F)F)S(=O)(=O)c1ccc(C#N)cc1F ZINC000739947386 637758394 /nfs/dbraw/zinc/75/83/94/637758394.db2.gz ATUZTBRZEZESKR-UHFFFAOYSA-N 0 0 322.283 2.436 10 30 DEEERN C#CCCNC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000740061765 637784081 /nfs/dbraw/zinc/78/40/81/637784081.db2.gz PBNIACMDUIZZOU-UHFFFAOYSA-N 0 0 309.410 2.145 10 30 DEEERN C[C@@]1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCc2ccccc2C1 ZINC000742664026 638084506 /nfs/dbraw/zinc/08/45/06/638084506.db2.gz BULLBNJXHCOGQX-UYAOXDASSA-N 0 0 323.440 2.380 10 30 DEEERN CC(=NOCC(=O)N[C@@H](C)c1ccc(F)cc1)c1cnn(C)c1 ZINC000746330810 638336856 /nfs/dbraw/zinc/33/68/56/638336856.db2.gz MTZMMKNDKYQVAA-NSHDSACASA-N 0 0 318.352 2.177 10 30 DEEERN COc1ccc(CNS(=O)(=O)c2sccc2C)cc1C#N ZINC000746681179 638369413 /nfs/dbraw/zinc/36/94/13/638369413.db2.gz XCZVZWNLDPRMFP-UHFFFAOYSA-N 0 0 322.411 2.415 10 30 DEEERN COc1ccc(CNC(=O)NOCc2ccccc2)cc1C#N ZINC000746704274 638371698 /nfs/dbraw/zinc/37/16/98/638371698.db2.gz XPNDBDDNRXYUIZ-UHFFFAOYSA-N 0 0 311.341 2.498 10 30 DEEERN COc1ccc(CNC(=O)NCc2csc(C)n2)cc1C#N ZINC000746712350 638372573 /nfs/dbraw/zinc/37/25/73/638372573.db2.gz JRDVRETVDYVKCS-UHFFFAOYSA-N 0 0 316.386 2.331 10 30 DEEERN COc1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1C#N ZINC000746878482 638383721 /nfs/dbraw/zinc/38/37/21/638383721.db2.gz TYJZTMCNDWGONM-UHFFFAOYSA-N 0 0 311.297 2.405 10 30 DEEERN COc1ccc(CNC(=O)c2ccc(NC(C)=O)cc2)cc1C#N ZINC000746873473 638383789 /nfs/dbraw/zinc/38/37/89/638383789.db2.gz XGKLQDHIBIFFMJ-UHFFFAOYSA-N 0 0 323.352 2.455 10 30 DEEERN CC[C@@H]1CO[C@H](C)CN1C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747421666 638436701 /nfs/dbraw/zinc/43/67/01/638436701.db2.gz HJZIHMQGYVVKFY-IUODEOHRSA-N 0 0 317.389 2.276 10 30 DEEERN N#Cc1ccc(CNC(=O)NCc2cccc(F)n2)c(F)c1 ZINC000748044650 638503410 /nfs/dbraw/zinc/50/34/10/638503410.db2.gz UYADAZPQCQFAAM-UHFFFAOYSA-N 0 0 302.284 2.231 10 30 DEEERN N#Cc1cccc(C(=O)COC(=O)Cn2ncc3ccccc32)c1 ZINC000748275687 638537176 /nfs/dbraw/zinc/53/71/76/638537176.db2.gz HCOKFEXFAMZUGJ-UHFFFAOYSA-N 0 0 319.320 2.334 10 30 DEEERN C=C(Br)COC(=O)c1[nH]c(C)c(C(N)=O)c1CC ZINC000748401730 638551357 /nfs/dbraw/zinc/55/13/57/638551357.db2.gz YIYJOQWZCQSATE-UHFFFAOYSA-N 0 0 315.167 2.050 10 30 DEEERN Cc1c(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cnn1CCC#N ZINC000896850539 638722703 /nfs/dbraw/zinc/72/27/03/638722703.db2.gz HUGQNGQMULGFFG-OAHLLOKOSA-N 0 0 312.377 2.196 10 30 DEEERN C#Cc1cccc(N(C(=O)[C@@H]2CSCN2C(C)=O)C(C)C)c1 ZINC000728246240 639067636 /nfs/dbraw/zinc/06/76/36/639067636.db2.gz RSSSBAULYAPUQR-INIZCTEOSA-N 0 0 316.426 2.331 10 30 DEEERN C#Cc1cccc(N(C(=O)[C@H]2CSCN2C(C)=O)C(C)C)c1 ZINC000728246241 639067691 /nfs/dbraw/zinc/06/76/91/639067691.db2.gz RSSSBAULYAPUQR-MRXNPFEDSA-N 0 0 316.426 2.331 10 30 DEEERN C[C@H](CNS(=O)(=O)c1cccc(F)c1C#N)c1ccncc1 ZINC000751482249 639087276 /nfs/dbraw/zinc/08/72/76/639087276.db2.gz GSAYOLQOTBSNQT-LLVKDONJSA-N 0 0 319.361 2.174 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC000752724963 639211644 /nfs/dbraw/zinc/21/16/44/639211644.db2.gz MRXBFBSGDDHAHE-UHFFFAOYSA-N 0 0 302.374 2.080 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000805146679 639840835 /nfs/dbraw/zinc/84/08/35/639840835.db2.gz JIJZHVINHLXXKV-ZDUSSCGKSA-N 0 0 310.375 2.229 10 30 DEEERN C#C[C@H](NS(=O)(=O)C1=Cc2ccccc2OC1)C(C)(C)C ZINC000805147164 639842119 /nfs/dbraw/zinc/84/21/19/639842119.db2.gz SUAJNOSAGYMQMI-HNNXBMFYSA-N 0 0 305.399 2.387 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1F)C(C)(C)C ZINC000805148733 639848787 /nfs/dbraw/zinc/84/87/87/639848787.db2.gz LBBBPSZKHQIMMN-SNVBAGLBSA-N 0 0 305.321 2.430 10 30 DEEERN C=CC[C@@H](OC(=O)CCN1C(=O)CCC1=O)c1ccccc1 ZINC000189225799 640052351 /nfs/dbraw/zinc/05/23/51/640052351.db2.gz GKAQIFBXNHXRGZ-CQSZACIVSA-N 0 0 301.342 2.386 10 30 DEEERN CS(=O)(=O)c1ccc(NN=Cc2cnn3ccccc23)cc1 ZINC000729636926 640817697 /nfs/dbraw/zinc/81/76/97/640817697.db2.gz CZNJRBLKPLFRRW-UHFFFAOYSA-N 0 0 314.370 2.184 10 30 DEEERN C=CCOCC(=O)O[C@H](Cn1cncn1)c1ccc(Cl)cc1 ZINC000729893849 640852117 /nfs/dbraw/zinc/85/21/17/640852117.db2.gz HMBUMZMSHQJULM-CQSZACIVSA-N 0 0 321.764 2.419 10 30 DEEERN C=CCOCC(=O)OC[C@@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC000729900666 640852636 /nfs/dbraw/zinc/85/26/36/640852636.db2.gz TZIQYACKLMMLHP-CQSZACIVSA-N 0 0 321.373 2.186 10 30 DEEERN CC(C)Nc1ncnc2c1ncn2CN(CCC#N)CC1CC1 ZINC000104652952 650661781 /nfs/dbraw/zinc/66/17/81/650661781.db2.gz LEBDPQNINKMHPK-UHFFFAOYSA-N 0 0 313.409 2.230 10 30 DEEERN C#C[C@H](NC(=O)N[C@@H](CO)CC=C)c1ccc(Cl)cc1F ZINC000805777555 643233983 /nfs/dbraw/zinc/23/39/83/643233983.db2.gz HZVHVDFMARJSPB-RISCZKNCSA-N 0 0 310.756 2.390 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1COC ZINC000805781580 643247353 /nfs/dbraw/zinc/24/73/53/643247353.db2.gz AMCHHRMRNWTACB-IRXDYDNUSA-N 0 0 300.402 2.441 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cc2c(cc1O)OCO2 ZINC000436537308 643548276 /nfs/dbraw/zinc/54/82/76/643548276.db2.gz DTSPJDYUOCBUJV-UHFFFAOYSA-N 0 0 303.236 2.311 10 30 DEEERN C#CCOc1cccc(COC(=O)COCc2ccccn2)c1 ZINC000805875483 643645974 /nfs/dbraw/zinc/64/59/74/643645974.db2.gz WHKNUOYWXKQXRX-UHFFFAOYSA-N 0 0 311.337 2.354 10 30 DEEERN C=C(Br)COC(=O)C1CCN(CC(F)F)CC1 ZINC000805924276 643852691 /nfs/dbraw/zinc/85/26/91/643852691.db2.gz GPMXKNPHSXKLDX-UHFFFAOYSA-N 0 0 312.154 2.415 10 30 DEEERN C=CCOc1ccc(C(=O)O[C@H]2CC(=O)N(C)[C@@H]2C)cc1OC ZINC000806063754 644466806 /nfs/dbraw/zinc/46/68/06/644466806.db2.gz FJHPTCACRWUCFD-RISCZKNCSA-N 0 0 319.357 2.036 10 30 DEEERN N#CCn1c(C(=O)N2CCO[C@H](C(F)F)C2)cc2ccccc21 ZINC000801006147 645328888 /nfs/dbraw/zinc/32/88/88/645328888.db2.gz CXATWXWKGGLFRU-AWEZNQCLSA-N 0 0 319.311 2.271 10 30 DEEERN CC#CC(=O)N[C@@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000801187964 645350041 /nfs/dbraw/zinc/35/00/41/645350041.db2.gz SJBZNBBIDVUWHD-CZUORRHYSA-N 0 0 310.319 2.379 10 30 DEEERN CCC(CC)(CCO)NC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000802258311 645510659 /nfs/dbraw/zinc/51/06/59/645510659.db2.gz FEZGHCCXCDJKAD-UHFFFAOYSA-N 0 0 319.405 2.307 10 30 DEEERN C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCOC ZINC000802422364 645524841 /nfs/dbraw/zinc/52/48/41/645524841.db2.gz ULTXGRKNEIVCCD-UHFFFAOYSA-N 0 0 318.808 2.238 10 30 DEEERN C#Cc1ccc(C(=O)N2CC(O)(c3ccc(Cl)cc3)C2)nc1 ZINC000802668463 645542864 /nfs/dbraw/zinc/54/28/64/645542864.db2.gz ICXPHXVDBOYLAE-UHFFFAOYSA-N 0 0 312.756 2.060 10 30 DEEERN C=CCn1c(C)nn(CN2CC[C@H](OC(F)F)C2)c1=S ZINC000802747573 645551549 /nfs/dbraw/zinc/55/15/49/645551549.db2.gz XNXJZDPLUWGHGN-JTQLQIEISA-N 0 0 304.366 2.180 10 30 DEEERN C[C@H](C(=O)OCC(C1CCC1)C1CCC1)n1cnc(C#N)n1 ZINC000802942074 645581770 /nfs/dbraw/zinc/58/17/70/645581770.db2.gz PACPSVBYKHWXQR-LLVKDONJSA-N 0 0 302.378 2.470 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cnc2nccnc2c1 ZINC000803525148 645668994 /nfs/dbraw/zinc/66/89/94/645668994.db2.gz HJAFXLSWSWBYRH-MRXNPFEDSA-N 0 0 316.364 2.389 10 30 DEEERN C/C(=C/c1ccc(Cl)cc1)C(=O)NCCn1cnc(C#N)n1 ZINC000803550658 645671463 /nfs/dbraw/zinc/67/14/63/645671463.db2.gz NFJJHMZYRZZPKM-FLIBITNWSA-N 0 0 315.764 2.023 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1nc(-c2ccc(OC)cc2)no1 ZINC000803698329 645681508 /nfs/dbraw/zinc/68/15/08/645681508.db2.gz MUENJDXRRLMGIW-UHFFFAOYSA-N 0 0 324.336 2.451 10 30 DEEERN C#CCC(CC#C)C(=O)OC[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000803699045 645681679 /nfs/dbraw/zinc/68/16/79/645681679.db2.gz OKPQHSDCWVWOFW-MRXNPFEDSA-N 0 0 323.392 2.355 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000803698695 645681705 /nfs/dbraw/zinc/68/17/05/645681705.db2.gz WXVXANGGJAODBM-BBBYJDLNSA-N 0 0 303.402 2.276 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)NCc1ccc(CC)s1 ZINC000803698973 645681849 /nfs/dbraw/zinc/68/18/49/645681849.db2.gz LAWAFACZZFQHFS-UHFFFAOYSA-N 0 0 317.410 2.133 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000803700840 645682422 /nfs/dbraw/zinc/68/24/22/645682422.db2.gz ASYVGYSUIKVGML-LLVKDONJSA-N 0 0 319.307 2.498 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000803700943 645682435 /nfs/dbraw/zinc/68/24/35/645682435.db2.gz FUFUOUGNRXFRET-UHFFFAOYSA-N 0 0 312.281 2.442 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1csc(N(CC)C(C)=O)n1 ZINC000803700215 645682475 /nfs/dbraw/zinc/68/24/75/645682475.db2.gz GNYGOHQJDTVXOI-UHFFFAOYSA-N 0 0 318.398 2.222 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1cc(F)cc2c1OCOC2 ZINC000803700349 645682536 /nfs/dbraw/zinc/68/25/36/645682536.db2.gz MFAIIXKANDLZQC-UHFFFAOYSA-N 0 0 302.301 2.398 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C(=O)OC)c1ccccc1F ZINC000803701627 645682825 /nfs/dbraw/zinc/68/28/25/645682825.db2.gz ZTGZCOXQFOEZOC-HNNXBMFYSA-N 0 0 302.301 2.246 10 30 DEEERN CC[C@H](C)N1CC(=O)N(Cc2ccc(OC)c(C#N)c2)C1=O ZINC000804181272 645737512 /nfs/dbraw/zinc/73/75/12/645737512.db2.gz IKFYGVUMZPFRSK-NSHDSACASA-N 0 0 301.346 2.130 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(=O)c(OC)co1 ZINC000804453866 645774142 /nfs/dbraw/zinc/77/41/42/645774142.db2.gz KLBNHSJHHWKOSN-AWEZNQCLSA-N 0 0 311.337 2.013 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cn2cccnc2n1 ZINC000804459918 645775072 /nfs/dbraw/zinc/77/50/72/645775072.db2.gz RNTYIMGDUQUXQT-HNNXBMFYSA-N 0 0 304.353 2.094 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000806283054 645814736 /nfs/dbraw/zinc/81/47/36/645814736.db2.gz CMDSMOCMADWAHX-UHFFFAOYSA-N 0 0 316.788 2.400 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000806410953 645828595 /nfs/dbraw/zinc/82/85/95/645828595.db2.gz NLEVZSCXMJONIX-UHFFFAOYSA-N 0 0 322.408 2.200 10 30 DEEERN C#Cc1cncc(C(=O)NC2CCN(c3ccccc3)CC2)c1 ZINC000806553982 645844612 /nfs/dbraw/zinc/84/46/12/645844612.db2.gz FUCKBUSSVYCACD-UHFFFAOYSA-N 0 0 305.381 2.462 10 30 DEEERN COc1cc(NC(=O)NCc2ccc(OC)c(C#N)c2)ccn1 ZINC000806665338 645860132 /nfs/dbraw/zinc/86/01/32/645860132.db2.gz MYSSYALMBCJSBW-UHFFFAOYSA-N 0 0 312.329 2.292 10 30 DEEERN C#CC[C@H](NC(=O)NC[C@@H](CO)c1cccnc1)c1ccccc1 ZINC000807029059 645901995 /nfs/dbraw/zinc/90/19/95/645901995.db2.gz BZTSUAMQUQLULJ-ROUUACIJSA-N 0 0 323.396 2.221 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000807322142 645939036 /nfs/dbraw/zinc/93/90/36/645939036.db2.gz GVRZMJPMAJCUOE-ZFWWWQNUSA-N 0 0 315.335 2.249 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cc(OC)cc(-n2cccn2)c1 ZINC000807450203 645951976 /nfs/dbraw/zinc/95/19/76/645951976.db2.gz GIWOCIDOOUZTEC-UHFFFAOYSA-N 0 0 307.353 2.482 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@H]1CCCOC1 ZINC000807468540 645954407 /nfs/dbraw/zinc/95/44/07/645954407.db2.gz WYFRURUBHFXCPZ-IRXDYDNUSA-N 0 0 300.402 2.441 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@H](CO)c1ccc(Cl)cc1 ZINC000807852220 645998203 /nfs/dbraw/zinc/99/82/03/645998203.db2.gz MJDVEXNDTOKWIR-HNNXBMFYSA-N 0 0 303.789 2.195 10 30 DEEERN C=CCc1cc(C[NH+]2CCN(C3CC3)CC2)c(O)c(OC)c1 ZINC000164243386 646425780 /nfs/dbraw/zinc/42/57/80/646425780.db2.gz HXXKXGZRZYOCNR-UHFFFAOYSA-N 0 0 302.418 2.409 10 30 DEEERN CN1C(=O)CC[C@@H](C(=O)OCCCC#N)[C@@H]1c1ccccc1 ZINC000171858050 646715478 /nfs/dbraw/zinc/71/54/78/646715478.db2.gz APWPGPWTEYYUBR-ZBFHGGJFSA-N 0 0 300.358 2.443 10 30 DEEERN C=C(CSc1nnnn1-c1cccc(C)c1C)C(=O)OCC ZINC000172293830 646728398 /nfs/dbraw/zinc/72/83/98/646728398.db2.gz RKZCUACWUFIRHE-UHFFFAOYSA-N 0 0 318.402 2.491 10 30 DEEERN C#CCOc1ccc(C(=O)NCc2ccc(C(=O)OC)cc2)cc1 ZINC000172703001 646747840 /nfs/dbraw/zinc/74/78/40/646747840.db2.gz WWZDJAUUDRUOFR-UHFFFAOYSA-N 0 0 323.348 2.415 10 30 DEEERN C=C(Br)CNC(=O)NCCc1ncc(CC)s1 ZINC000174375879 646805711 /nfs/dbraw/zinc/80/57/11/646805711.db2.gz QPSBFJOAASZKIM-UHFFFAOYSA-N 0 0 318.240 2.456 10 30 DEEERN C#C[C@@H](C)OC(=O)c1ccccc1I ZINC000174411873 646808183 /nfs/dbraw/zinc/80/81/83/646808183.db2.gz ABZLYHCAIOPRQT-MRVPVSSYSA-N 0 0 300.095 2.470 10 30 DEEERN C#C[C@@H](C)OC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000174453114 646810440 /nfs/dbraw/zinc/81/04/40/646810440.db2.gz BLUUELSDAOZXRT-VXGBXAGGSA-N 0 0 303.383 2.326 10 30 DEEERN CC(C)OCCCNC(=O)[C@H](C#N)C(=O)C[C@H]1CC[C@@H](C)C1 ZINC000151543694 646899060 /nfs/dbraw/zinc/89/90/60/646899060.db2.gz SJNOIULGGCHXHH-QLFBSQMISA-N 0 0 308.422 2.453 10 30 DEEERN C#CCOc1cccc([C@H](C)OC(=O)CNC(=O)CCC)c1 ZINC000730701330 647383087 /nfs/dbraw/zinc/38/30/87/647383087.db2.gz JVKBIQSWGCFHNI-ZDUSSCGKSA-N 0 0 303.358 2.219 10 30 DEEERN C/C(=C/C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccc(F)cc1 ZINC000732649771 647636076 /nfs/dbraw/zinc/63/60/76/647636076.db2.gz RIYZHSLNNQLBPW-QFSNBGPKSA-N 0 0 313.376 2.428 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc(F)c(C(=O)OC)c1 ZINC000175297287 648342344 /nfs/dbraw/zinc/34/23/44/648342344.db2.gz AYCCZJCHZKUIGQ-UHFFFAOYSA-N 0 0 315.366 2.199 10 30 DEEERN Cc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2)c(=O)[nH]1 ZINC000069776536 648757343 /nfs/dbraw/zinc/75/73/43/648757343.db2.gz LMAYWFUGSTZMMH-CYBMUJFWSA-N 0 0 301.733 2.331 10 30 DEEERN CC(C)[C@@H](C)CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000181868147 648771458 /nfs/dbraw/zinc/77/14/58/648771458.db2.gz SZEAFMCHBJRGSB-QWHCGFSZSA-N 0 0 317.389 2.324 10 30 DEEERN C#C[C@H](OC(=O)CCC(=O)N1CCc2sccc2C1)C1CC1 ZINC000183582658 649114100 /nfs/dbraw/zinc/11/41/00/649114100.db2.gz MYEQTRUDEAKOCF-AWEZNQCLSA-N 0 0 317.410 2.368 10 30 DEEERN Cn1cc(-c2ncc(C(=O)OCC3(C#N)CCC3)s2)cn1 ZINC000183892403 649193003 /nfs/dbraw/zinc/19/30/03/649193003.db2.gz ILCKQQMLQJXMBJ-UHFFFAOYSA-N 0 0 302.359 2.394 10 30 DEEERN CC#CCCCCOC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000183953177 649205195 /nfs/dbraw/zinc/20/51/95/649205195.db2.gz HTXBTMSDONCXNB-UHFFFAOYSA-N 0 0 313.353 2.410 10 30 DEEERN N#CCOc1ccccc1C(=O)OCC1(C#N)CCOCC1 ZINC000183954742 649209337 /nfs/dbraw/zinc/20/93/37/649209337.db2.gz TWINVXVXVQSETH-UHFFFAOYSA-N 0 0 300.314 2.066 10 30 DEEERN C#CCCNC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1 ZINC000733247621 649463853 /nfs/dbraw/zinc/46/38/53/649463853.db2.gz VSYIDFZZFUYVRQ-NSHDSACASA-N 0 0 308.378 2.025 10 30 DEEERN C#CCC(C)(C)COC(=O)CSc1nnnn1C1CCCC1 ZINC000185357833 649508532 /nfs/dbraw/zinc/50/85/32/649508532.db2.gz CCJMYECABPXBIG-UHFFFAOYSA-N 0 0 322.434 2.473 10 30 DEEERN C#CCCNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000733288183 649537398 /nfs/dbraw/zinc/53/73/98/649537398.db2.gz COZUAGDCYIUTSG-CQSZACIVSA-N 0 0 302.374 2.392 10 30 DEEERN C#CCCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC000733287829 649537494 /nfs/dbraw/zinc/53/74/94/649537494.db2.gz RIKAWROFPVLDDS-DTQAZKPQSA-N 0 0 308.337 2.190 10 30 DEEERN C#CCCNC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000733355970 649553639 /nfs/dbraw/zinc/55/36/39/649553639.db2.gz HBWULRTXKXGCHY-GFCCVEGCSA-N 0 0 300.280 2.061 10 30 DEEERN C#CCOc1ccccc1OC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000107416806 651442496 /nfs/dbraw/zinc/44/24/96/651442496.db2.gz OIZXVMSZOLCPPB-GFCCVEGCSA-N 0 0 313.309 2.016 10 30 DEEERN CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H](C)COC)ccc1OC ZINC000113111332 651642865 /nfs/dbraw/zinc/64/28/65/651642865.db2.gz AQTJOLAHSNBLTR-JSGCOSHPSA-N 0 0 320.389 2.275 10 30 DEEERN C=C(Br)CNC(=O)[C@H](C)Oc1ccc(OC)cc1 ZINC000049297206 683920529 /nfs/dbraw/zinc/92/05/29/683920529.db2.gz MAKHZZOMRQAPOH-JTQLQIEISA-N 0 0 314.179 2.487 10 30 DEEERN O=C(COc1ccc(Cl)c2cccnc12)N=C1NCCS1 ZINC000048221893 683914931 /nfs/dbraw/zinc/91/49/31/683914931.db2.gz FNEBEIMMWSUXBE-UHFFFAOYSA-N 0 0 321.789 2.486 10 30 DEEERN C=CCCCOC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000080325807 683981040 /nfs/dbraw/zinc/98/10/40/683981040.db2.gz DDTKABMTDLFPOG-OBJOEFQTSA-N 0 0 312.435 2.222 10 30 DEEERN COCc1csc(NC(=O)Cc2cccc(OCC#N)c2)n1 ZINC000089810735 684026233 /nfs/dbraw/zinc/02/62/33/684026233.db2.gz STINXHWALHCXMS-UHFFFAOYSA-N 0 0 317.370 2.373 10 30 DEEERN C#CCCCOC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000119278826 684078902 /nfs/dbraw/zinc/07/89/02/684078902.db2.gz XQFUNQSWMAZQRG-ZBFHGGJFSA-N 0 0 303.333 2.302 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)[C@@H](C)C1CCOCC1 ZINC000123436370 684125414 /nfs/dbraw/zinc/12/54/14/684125414.db2.gz CBVISQWIWPYSRM-ZDUSSCGKSA-N 0 0 314.385 2.051 10 30 DEEERN C#CCOc1cccc(COC(=O)[C@H]2CCN(C(=O)CC)C2)c1 ZINC000123936792 684129657 /nfs/dbraw/zinc/12/96/57/684129657.db2.gz DUFVERATESUBMR-HNNXBMFYSA-N 0 0 315.369 2.000 10 30 DEEERN C#CCSCCNC(=O)c1cnc2onc(C(C)C)c2c1 ZINC000130052552 684184713 /nfs/dbraw/zinc/18/47/13/684184713.db2.gz ZZUJGWYOWNCXGV-UHFFFAOYSA-N 0 0 303.387 2.442 10 30 DEEERN COc1ccc2c(CC(=O)[C@@H](C#N)C(=O)NC(C)C)coc2c1 ZINC000130836002 684192999 /nfs/dbraw/zinc/19/29/99/684192999.db2.gz LOXNVLXYJHVOBP-CQSZACIVSA-N 0 0 314.341 2.217 10 30 DEEERN CNC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000133377016 684219271 /nfs/dbraw/zinc/21/92/71/684219271.db2.gz IAVZREMJBNKRRO-APPZFPTMSA-N 0 0 315.156 2.216 10 30 DEEERN C#C[C@@H](OC(=O)c1sccc1S(=O)(=O)C(F)F)C1CC1 ZINC000134041522 684224947 /nfs/dbraw/zinc/22/49/47/684224947.db2.gz JVCCMQXCBYBGBA-MRVPVSSYSA-N 0 0 320.338 2.313 10 30 DEEERN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)O[C@H](C#N)C1CC1 ZINC000155790234 684280071 /nfs/dbraw/zinc/28/00/71/684280071.db2.gz CYQBTLJHNSJKFC-GFCCVEGCSA-N 0 0 315.295 2.450 10 30 DEEERN N#C[C@H]1CCCN(S(=O)(=O)c2cccc3ncccc32)C1 ZINC000163234991 684330808 /nfs/dbraw/zinc/33/08/08/684330808.db2.gz YXLIVGBBPLQDPM-GFCCVEGCSA-N 0 0 301.371 2.159 10 30 DEEERN C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)C(C)(C)C#N ZINC000178811425 684333795 /nfs/dbraw/zinc/33/37/95/684333795.db2.gz PJJNJIVTITUDQY-ZIAGYGMSSA-N 0 0 321.421 2.396 10 30 DEEERN C=C[C@@H](C)OC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000187529690 684339739 /nfs/dbraw/zinc/33/97/39/684339739.db2.gz CWQPWBTUTMNKGC-XUIVZRPNSA-N 0 0 301.346 2.436 10 30 DEEERN C#CCOCCC(=O)N[C@@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000193860756 685051294 /nfs/dbraw/zinc/05/12/94/685051294.db2.gz ICAWBYVSFDKZHC-OAHLLOKOSA-N 0 0 323.776 2.100 10 30 DEEERN CCCCCCCS(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000195315236 685095271 /nfs/dbraw/zinc/09/52/71/685095271.db2.gz OWMUMMWPNILMAG-LLVKDONJSA-N 0 0 317.373 2.286 10 30 DEEERN CC[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000195525781 685101269 /nfs/dbraw/zinc/10/12/69/685101269.db2.gz NMJFMDOITJTNRK-VIFPVBQESA-N 0 0 320.292 2.012 10 30 DEEERN CN1C(=O)CC[C@H](C(=O)N[C@H](C#N)C2CC2)[C@@H]1c1ccccc1 ZINC000245505015 685112718 /nfs/dbraw/zinc/11/27/18/685112718.db2.gz LJELURZLVPOPFS-UXLLHSPISA-N 0 0 311.385 2.014 10 30 DEEERN N#Cc1cnc(N2CCC[C@H]2c2ccc(N)nn2)c(Cl)c1 ZINC000886085156 691999905 /nfs/dbraw/zinc/99/99/05/691999905.db2.gz AAAXGYXFPABQPR-LBPRGKRZSA-N 0 0 300.753 2.320 10 30 DEEERN CC(C)(CNc1c(F)cc(C#N)cc1F)CS(C)(=O)=O ZINC000723878339 777198117 /nfs/dbraw/zinc/19/81/17/777198117.db2.gz ABEWRIOMLCMRQW-UHFFFAOYSA-N 0 0 302.346 2.319 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)/C=C\c1ncccc1C ZINC000588452199 777215842 /nfs/dbraw/zinc/21/58/42/777215842.db2.gz OOIDZPNYIRDVRH-KHPPLWFESA-N 0 0 319.364 2.405 10 30 DEEERN C=CCC[C@H](CO)NS(=O)(=O)c1c(C)sc(C)c1C ZINC000722577861 778802405 /nfs/dbraw/zinc/80/24/05/778802405.db2.gz XPROXCYRLVTOJE-GFCCVEGCSA-N 0 0 303.449 2.279 10 30 DEEERN N#Cc1cc(Br)cn(C[C@H]2CC[C@@H](C3CC3)O2)c1=O ZINC000715429475 792436359 /nfs/dbraw/zinc/43/63/59/792436359.db2.gz WFAUEEUHNIODKL-OLZOCXBDSA-N 0 0 323.190 2.440 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NCC[C@@H]1CCCS1 ZINC000715966705 792540449 /nfs/dbraw/zinc/54/04/49/792540449.db2.gz KKVFCXLJVFUHKL-ZDUSSCGKSA-N 0 0 310.444 2.431 10 30 DEEERN C#CC[C@@H](COC)NC(=O)c1cc(F)ccc1Br ZINC000716889068 793020328 /nfs/dbraw/zinc/02/03/28/793020328.db2.gz RPTSYBQHQAQSMC-JTQLQIEISA-N 0 0 314.154 2.356 10 30 DEEERN C#CC[C@H](COC)NC(=O)c1ccc(F)cc1Br ZINC000716887874 793020314 /nfs/dbraw/zinc/02/03/14/793020314.db2.gz MUSLGUGSVNRDRJ-SNVBAGLBSA-N 0 0 314.154 2.356 10 30 DEEERN C#CCN1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000128339775 799218423 /nfs/dbraw/zinc/21/84/23/799218423.db2.gz JNHAFVGNBHFRNF-UHFFFAOYSA-N 0 0 312.344 2.477 10 30 DEEERN N#C[C@]1(F)CCN(C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000800014801 799296110 /nfs/dbraw/zinc/29/61/10/799296110.db2.gz DQBQIXOHZPXIMK-UKRRQHHQSA-N 0 0 307.756 2.454 10 30 DEEERN N#Cc1ccc(NC(=O)CN2CCC=C(Br)C2)cc1 ZINC000404454723 802021024 /nfs/dbraw/zinc/02/10/24/802021024.db2.gz FFOYFFRDFVEOAV-UHFFFAOYSA-N 0 0 320.190 2.481 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1ccc(NC(=O)C2CC2)s1 ZINC000321234665 802824116 /nfs/dbraw/zinc/82/41/16/802824116.db2.gz NCLOVKOTENVZMO-NSHDSACASA-N 0 0 308.403 2.154 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000050710008 1078476288 /nfs/dbraw/zinc/47/62/88/1078476288.db2.gz FYAAFTHRVYYELC-QMMMGPOBSA-N 0 0 310.741 2.452 10 30 DEEERN C#CCNC(=O)COc1cc(Cl)ccc1Br ZINC000708099159 1078623119 /nfs/dbraw/zinc/62/31/19/1078623119.db2.gz QFLUXUPPNZYFSC-UHFFFAOYSA-N 0 0 302.555 2.231 10 30 DEEERN Cc1nc(NCc2cn(C)nc2Br)ccc1C#N ZINC000720673067 1085842876 /nfs/dbraw/zinc/84/28/76/1085842876.db2.gz TZNITRNHDASMRP-UHFFFAOYSA-N 0 0 306.167 2.370 10 30 DEEERN N#Cc1cc(S(=O)(=O)NCC[C@H]2CCSC2)ccc1F ZINC000704787598 1086591368 /nfs/dbraw/zinc/59/13/68/1086591368.db2.gz QJLBKALJJAJQSV-JTQLQIEISA-N 0 0 314.407 2.119 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1c(Br)nnn1C ZINC000709467802 1086682987 /nfs/dbraw/zinc/68/29/87/1086682987.db2.gz GPRCYLVRGYLFDW-UHFFFAOYSA-N 0 0 315.215 2.300 10 30 DEEERN C#CCN(C1CCCCC1)S(=O)(=O)c1cc(OC)ns1 ZINC000717703915 1091258142 /nfs/dbraw/zinc/25/81/42/1091258142.db2.gz CERRMDBAMIOQPU-UHFFFAOYSA-N 0 0 314.432 2.108 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccnc2ccnn21 ZINC000076640210 185028114 /nfs/dbraw/zinc/02/81/14/185028114.db2.gz AYELQDJFRGVSID-NSHDSACASA-N 0 0 307.313 2.007 10 30 DEEERN C=CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](CCF)C1 ZINC000624814584 365558475 /nfs/dbraw/zinc/55/84/75/365558475.db2.gz DWVGJLOUVZOEKW-GFCCVEGCSA-N 0 0 305.357 2.024 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N1CC2(C1)CCCO2 ZINC000624826959 365562764 /nfs/dbraw/zinc/56/27/64/365562764.db2.gz GJIQUNGILMYQER-UHFFFAOYSA-N 0 0 314.389 2.212 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(C)cc1OC ZINC000612291765 361782910 /nfs/dbraw/zinc/78/29/10/361782910.db2.gz FIEMXTMDHJFPFY-HNNXBMFYSA-N 0 0 304.390 2.091 10 30 DEEERN C=CCN(CC(=O)OCC)Cc1nnc(-c2cccs2)o1 ZINC000096693123 185385564 /nfs/dbraw/zinc/38/55/64/185385564.db2.gz UUWPAWOQLXDBBP-UHFFFAOYSA-N 0 0 307.375 2.349 10 30 DEEERN C=CC[C@@H](C)NS(=O)(=O)C[C@@H](OC)c1ccc(F)cc1 ZINC000624975066 365603991 /nfs/dbraw/zinc/60/39/91/365603991.db2.gz QSIFGBYJMGKWFB-BXUZGUMPSA-N 0 0 301.383 2.397 10 30 DEEERN C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC2(C1)CCCO2 ZINC000624979964 365606634 /nfs/dbraw/zinc/60/66/34/365606634.db2.gz IUWMWLBBLNKNBG-ZIAGYGMSSA-N 0 0 318.421 2.463 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC000612434426 361826218 /nfs/dbraw/zinc/82/62/18/361826218.db2.gz PRJKGDSBHDTELP-UONOGXRCSA-N 0 0 322.792 2.361 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(N)c(Br)c1 ZINC000078894588 185123984 /nfs/dbraw/zinc/12/39/84/185123984.db2.gz YZPJPKFSISKOBT-CABZTGNLSA-N 0 0 308.179 2.453 10 30 DEEERN C#CCNCC(=O)Nc1ccc(Br)cc1Cl ZINC000082375480 185177910 /nfs/dbraw/zinc/17/79/10/185177910.db2.gz ZPVUJVHBMNDLIC-UHFFFAOYSA-N 0 0 301.571 2.264 10 30 DEEERN Cc1c(C#CCCO)cccc1C(=O)N1CCCSCC1 ZINC000088443203 185251005 /nfs/dbraw/zinc/25/10/05/185251005.db2.gz DVQJDGKVUCPLQA-UHFFFAOYSA-N 0 0 303.427 2.308 10 30 DEEERN C=CCN(CCC)S(=O)(=O)c1cncc(Br)c1 ZINC000165802509 197682433 /nfs/dbraw/zinc/68/24/33/197682433.db2.gz IWJURWLSTMPRDT-UHFFFAOYSA-N 0 0 319.224 2.431 10 30 DEEERN CN(Cc1cc(C#CCO)cs1)C(=O)CCC(F)(F)F ZINC000088834237 185266602 /nfs/dbraw/zinc/26/66/02/185266602.db2.gz OJMHVFMXCZMFFE-UHFFFAOYSA-N 0 0 305.321 2.393 10 30 DEEERN N#Cc1cc(C(F)(F)F)ccc1N[C@H]1C=CS(=O)(=O)C1 ZINC000088856886 185267336 /nfs/dbraw/zinc/26/73/36/185267336.db2.gz AOJZOFAQIDZWFK-JTQLQIEISA-N 0 0 302.277 2.300 10 30 DEEERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCCOC1 ZINC000329585981 529634483 /nfs/dbraw/zinc/63/44/83/529634483.db2.gz WPDKVXLVHLHHSF-TUAOUCFPSA-N 0 0 300.424 2.070 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000279015291 214573508 /nfs/dbraw/zinc/57/35/08/214573508.db2.gz IBWAZBNYIZDIOU-SFYZADRCSA-N 0 0 323.340 2.459 10 30 DEEERN CN(C)c1cccc(NC(=O)NCc2ccc(C#N)cc2F)n1 ZINC000613151176 362019981 /nfs/dbraw/zinc/01/99/81/362019981.db2.gz UTTZDNZMCGJAQA-UHFFFAOYSA-N 0 0 313.336 2.480 10 30 DEEERN COC(=O)C1(NC(=O)c2ccc(C#N)cc2C)CCSCC1 ZINC000090123236 185283214 /nfs/dbraw/zinc/28/32/14/185283214.db2.gz BYYZCNSAGJFPPT-UHFFFAOYSA-N 0 0 318.398 2.035 10 30 DEEERN Cc1nc(C)c([C@H](C)NS(=O)(=O)c2ccc(C#N)nc2)s1 ZINC000166006034 197686582 /nfs/dbraw/zinc/68/65/82/197686582.db2.gz WGEOOGNPXZYGII-VIFPVBQESA-N 0 0 322.415 2.066 10 30 DEEERN C=CCCCS(=O)(=O)NC[C@@]1(C)COc2ccccc2O1 ZINC000625327706 365730624 /nfs/dbraw/zinc/73/06/24/365730624.db2.gz LEOHHGBXVOHNGJ-HNNXBMFYSA-N 0 0 311.403 2.102 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cnc3onc(C)c3c2)C1 ZINC000625349639 365741289 /nfs/dbraw/zinc/74/12/89/365741289.db2.gz DAOYCGFVDGUIGV-LLVKDONJSA-N 0 0 307.375 2.118 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000613839237 362228647 /nfs/dbraw/zinc/22/86/47/362228647.db2.gz UKYMBCWUWHRKDS-OAHLLOKOSA-N 0 0 322.449 2.408 10 30 DEEERN CN(CCC#N)c1ccc(CN2CCOC[C@]23CCOC3)cc1 ZINC000249419819 529869851 /nfs/dbraw/zinc/86/98/51/529869851.db2.gz DFJZDXAWSNSIOY-GOSISDBHSA-N 0 0 315.417 2.028 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000614368984 362362122 /nfs/dbraw/zinc/36/21/22/362362122.db2.gz MOKQPBIDVWTSPJ-KCPJHIHWSA-N 0 0 322.355 2.408 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CC[C@H](OC)C1 ZINC000614723229 362445499 /nfs/dbraw/zinc/44/54/99/362445499.db2.gz WXCYXMXNOMSBTR-KBPBESRZSA-N 0 0 307.390 2.492 10 30 DEEERN CN1CCN(C(=O)NCc2cc(C3CC3)ccc2F)C[C@@H]1C#N ZINC000333305308 530068877 /nfs/dbraw/zinc/06/88/77/530068877.db2.gz CQCZIFCXQHJXMY-HNNXBMFYSA-N 0 0 316.380 2.052 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H](c2ccccn2)C1 ZINC000615250871 362566492 /nfs/dbraw/zinc/56/64/92/362566492.db2.gz MMTUVSLSDHIDGD-DOTOQJQBSA-N 0 0 315.417 2.259 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CSc2ccccc21 ZINC000615457900 362610609 /nfs/dbraw/zinc/61/06/09/362610609.db2.gz DSUDTBQTTKOXIU-UKRRQHHQSA-N 0 0 318.442 2.463 10 30 DEEERN O=C(c1sccc1C#CCO)N(CC(F)(F)F)C1CC1 ZINC000111534443 185611020 /nfs/dbraw/zinc/61/10/20/185611020.db2.gz HNCZWVQLKAIKGW-UHFFFAOYSA-N 0 0 303.305 2.259 10 30 DEEERN C[C@@H](NC(=O)c1sccc1C#CCCO)c1ccncc1 ZINC000111531718 185611083 /nfs/dbraw/zinc/61/10/83/185611083.db2.gz YLJRKXDCEQIKFU-GFCCVEGCSA-N 0 0 300.383 2.368 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC000616409846 362850419 /nfs/dbraw/zinc/85/04/19/362850419.db2.gz WTFORKHFFNWVSF-KWQFWETISA-N 0 0 316.279 2.127 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCOC[C@H]2C)cc1 ZINC000277495598 213566492 /nfs/dbraw/zinc/56/64/92/213566492.db2.gz NQWKRXJATJUUGI-DOMZBBRYSA-N 0 0 317.389 2.149 10 30 DEEERN CC[C@@H](C)N(CCOC)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000071140661 190935621 /nfs/dbraw/zinc/93/56/21/190935621.db2.gz JVFXAZYQRVTYTJ-LLVKDONJSA-N 0 0 314.382 2.133 10 30 DEEERN O=C(NCc1ccc(C#CCO)s1)c1cc(F)ccc1F ZINC000071322318 190958404 /nfs/dbraw/zinc/95/84/04/190958404.db2.gz IFJDHTGGCQGDOJ-UHFFFAOYSA-N 0 0 307.321 2.300 10 30 DEEERN COc1cccc2c1C(=O)N(CCc1c(C)nn(C)c1C)[C@@H]2C#N ZINC000071678730 191005107 /nfs/dbraw/zinc/00/51/07/191005107.db2.gz BBUHVNQXRORQPY-OAHLLOKOSA-N 0 0 324.384 2.309 10 30 DEEERN COC(=O)[C@@H](C)N1C(=O)c2c(cccc2C(F)(F)F)C1C#N ZINC000071681155 191006591 /nfs/dbraw/zinc/00/65/91/191006591.db2.gz GMJLKAXCUFQHKE-GMSGAONNSA-N 0 0 312.247 2.287 10 30 DEEERN COc1cc2c(c(OC)c1OC)C(C#N)N(CC(C)C)C2=O ZINC000071682231 191007521 /nfs/dbraw/zinc/00/75/21/191007521.db2.gz IGPDBQUDVKWPFN-LLVKDONJSA-N 0 0 304.346 2.389 10 30 DEEERN N#C[C@]1(N2CCCCCC2)CCS(=O)(=O)c2ccccc21 ZINC000147825235 186041891 /nfs/dbraw/zinc/04/18/91/186041891.db2.gz JBTDAQBFYUBJNZ-MRXNPFEDSA-N 0 0 304.415 2.459 10 30 DEEERN O=C(NCc1sccc1C#CCCO)c1ccc(O)cc1 ZINC000148593316 186044976 /nfs/dbraw/zinc/04/49/76/186044976.db2.gz JEYRQUJFQJRZPY-UHFFFAOYSA-N 0 0 301.367 2.118 10 30 DEEERN Cc1ccc(C(=O)NCc2sccc2C#CCCO)cn1 ZINC000148602698 186045247 /nfs/dbraw/zinc/04/52/47/186045247.db2.gz BCVDOWPCKWDHHU-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN C=C(C)COCCNc1ccccc1S(=O)(=O)NC1CC1 ZINC000163992990 186145417 /nfs/dbraw/zinc/14/54/17/186145417.db2.gz UFJPNWQMTFZRTF-UHFFFAOYSA-N 0 0 310.419 2.132 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000186057910 186236237 /nfs/dbraw/zinc/23/62/37/186236237.db2.gz XOUOQQUKALWOIS-AWEZNQCLSA-N 0 0 321.446 2.298 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)c(C(N)=O)cn1 ZINC000617044441 363007785 /nfs/dbraw/zinc/00/77/85/363007785.db2.gz NKTBEXMOEJERRG-TZMCWYRMSA-N 0 0 301.390 2.354 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000617044156 363008050 /nfs/dbraw/zinc/00/80/50/363008050.db2.gz JDOIOHRQKGZCOP-RRFJBIMHSA-N 0 0 313.463 2.452 10 30 DEEERN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)C1CCCC1 ZINC000172095054 198038744 /nfs/dbraw/zinc/03/87/44/198038744.db2.gz GJZDYMCSABEWQX-LBPRGKRZSA-N 0 0 315.417 2.491 10 30 DEEERN C=C(C)COCCNC(=O)c1cn(C)nc1-c1ccc(C)o1 ZINC000626125005 366063500 /nfs/dbraw/zinc/06/35/00/366063500.db2.gz AHPDYKAEJXKWSX-UHFFFAOYSA-N 0 0 303.362 2.311 10 30 DEEERN C=CCCCN(C)C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000172555591 198114835 /nfs/dbraw/zinc/11/48/35/198114835.db2.gz SUVIJGNAKGPQLZ-UHFFFAOYSA-N 0 0 300.358 2.097 10 30 DEEERN C=CCCn1cc(C(=O)N2CCC(c3ccco3)CC2)nn1 ZINC000617386843 363117072 /nfs/dbraw/zinc/11/70/72/363117072.db2.gz QBOXTKXTMFZUQA-UHFFFAOYSA-N 0 0 300.362 2.467 10 30 DEEERN N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)nc1 ZINC000172971504 198171957 /nfs/dbraw/zinc/17/19/57/198171957.db2.gz KVLLODCGWZFSJU-KBPBESRZSA-N 0 0 321.336 2.467 10 30 DEEERN C[C@@H](Cc1cccc(O)c1)NC(=O)N1CC2(C1)CCCOC2 ZINC000329233266 539915294 /nfs/dbraw/zinc/91/52/94/539915294.db2.gz GSYUOFWWKGVBRT-ZDUSSCGKSA-N 0 0 304.390 2.350 10 30 DEEERN Cc1nc([C@H](C)NC(=O)NCc2nnc(C3CC3)o2)cs1 ZINC000329426795 539920108 /nfs/dbraw/zinc/92/01/08/539920108.db2.gz JATDDYZRNLRXQT-ZETCQYMHSA-N 0 0 307.379 2.477 10 30 DEEERN O=C(CN1CC(=O)NC1=O)Nc1ccc(N2CCCCC2)cn1 ZINC000329411129 539920208 /nfs/dbraw/zinc/92/02/08/539920208.db2.gz BRPCMNYQIXRXKR-UHFFFAOYSA-N 0 0 317.349 2.052 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@@H](C)C[C@H](C)C1 ZINC000329821256 539930364 /nfs/dbraw/zinc/93/03/64/539930364.db2.gz HCDHPGLYBYEULW-ILXRZTDVSA-N 0 0 320.437 2.424 10 30 DEEERN C=CCN(C(=O)c1cnn(CCC(F)(F)F)c1)[C@H](C)COC ZINC000617581344 363196030 /nfs/dbraw/zinc/19/60/30/363196030.db2.gz QCWDDOKQYYHFQT-LLVKDONJSA-N 0 0 319.327 2.499 10 30 DEEERN C[C@@H]1C(=O)N(Cc2ccc(C#N)cc2F)C(=O)N1C1CCC1 ZINC000617675033 363220959 /nfs/dbraw/zinc/22/09/59/363220959.db2.gz IVOXWGQAEFLJND-SNVBAGLBSA-N 0 0 301.321 2.403 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NC1(c2noc(CC)n2)CCCC1 ZINC000175130607 198432098 /nfs/dbraw/zinc/43/20/98/198432098.db2.gz WXOYARZUPCILKM-LBPRGKRZSA-N 0 0 307.394 2.499 10 30 DEEERN C=CCCOCCNC(=O)c1cc(C)n([C@@H]2CCOC2)c1C ZINC000626273975 366131142 /nfs/dbraw/zinc/13/11/42/366131142.db2.gz PGDUDODDIYODRO-OAHLLOKOSA-N 0 0 306.406 2.389 10 30 DEEERN C=CCNC(=O)CN1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000015312493 354032621 /nfs/dbraw/zinc/03/26/21/354032621.db2.gz NIWUFKIEHFKJSE-OAHLLOKOSA-N 0 0 304.390 2.143 10 30 DEEERN C=CCC[C@@H](C(=O)NCc1nc(COC)n[nH]1)c1ccccc1 ZINC000617935418 363321233 /nfs/dbraw/zinc/32/12/33/363321233.db2.gz AAKXSQYUWGCISE-CQSZACIVSA-N 0 0 314.389 2.317 10 30 DEEERN S=C(N/N=C/c1ccc2c(c1)OCO2)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000004322321 181098168 /nfs/dbraw/zinc/09/81/68/181098168.db2.gz CIPLAOCVPWWWNA-RTLQYLEFSA-N 0 0 317.414 2.402 10 30 DEEERN S=C(N/N=C/c1cccnc1)N[C@H]1C[C@H]2C[C@@H]1[C@H]1C=CC[C@H]21 ZINC000004322410 181098214 /nfs/dbraw/zinc/09/82/14/181098214.db2.gz JJXPUKQXKASOFA-UHYUNTEPSA-N 0 0 312.442 2.480 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@@H](C)c2ccc(OCC)cc2)C1=O ZINC000348487638 540022759 /nfs/dbraw/zinc/02/27/59/540022759.db2.gz CGMBEXPLNLJCKY-WFASDCNBSA-N 0 0 318.373 2.269 10 30 DEEERN C=CCN(Cc1cccs1)S(=O)(=O)N1CCCCC1 ZINC000058176382 354587383 /nfs/dbraw/zinc/58/73/83/354587383.db2.gz PBDDVYYJFTXCCJ-UHFFFAOYSA-N 0 0 300.449 2.467 10 30 DEEERN C=CCOc1ccc(CC(=O)NCCO[C@@H]2CC2(F)F)cc1 ZINC000618135227 363390510 /nfs/dbraw/zinc/39/05/10/363390510.db2.gz GPUHCEKCLTZRAW-CQSZACIVSA-N 0 0 311.328 2.334 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000069354241 354861406 /nfs/dbraw/zinc/86/14/06/354861406.db2.gz WYAVFJJEDVGZNI-AWEZNQCLSA-N 0 0 303.406 2.148 10 30 DEEERN C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1OC ZINC000618261166 363433991 /nfs/dbraw/zinc/43/39/91/363433991.db2.gz CQBXLTCTTRGNOO-LAQFHYBYSA-N 0 0 319.401 2.349 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H](C)NC(=O)c1[nH]nc2ccccc21 ZINC000077108168 355182952 /nfs/dbraw/zinc/18/29/52/355182952.db2.gz PGBVWXNBNRUFMX-GFCCVEGCSA-N 0 0 314.389 2.106 10 30 DEEERN N#Cc1ccccc1S(=O)(=O)N[C@@H]1C[C@@H]1c1cccs1 ZINC000074777549 191358822 /nfs/dbraw/zinc/35/88/22/191358822.db2.gz ROIPBYCPZHVIAN-NWDGAFQWSA-N 0 0 304.396 2.454 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000077862428 355234289 /nfs/dbraw/zinc/23/42/89/355234289.db2.gz PFAWQHGJCUSJTG-CYBMUJFWSA-N 0 0 302.374 2.225 10 30 DEEERN N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CCS(=O)(=O)C1 ZINC000037333867 283092543 /nfs/dbraw/zinc/09/25/43/283092543.db2.gz HNJZBQDUZYYYBZ-SNVBAGLBSA-N 0 0 304.293 2.176 10 30 DEEERN CCN(CCc1ccncc1)S(=O)(=O)c1ccccc1C#N ZINC000074924144 191388235 /nfs/dbraw/zinc/38/82/35/191388235.db2.gz NWTSZHHAXLLBQK-UHFFFAOYSA-N 0 0 315.398 2.207 10 30 DEEERN C[C@H]1Oc2ccc(CC(=O)Nc3ccccc3C#N)cc2NC1=O ZINC000074966245 191397401 /nfs/dbraw/zinc/39/74/01/191397401.db2.gz OSSQNEIQXMLGIB-LLVKDONJSA-N 0 0 321.336 2.459 10 30 DEEERN C#CCNC(=O)c1ccc(NCCCc2c(C)noc2C)nc1 ZINC000084928242 355489314 /nfs/dbraw/zinc/48/93/14/355489314.db2.gz LZQZRUHYGIDJKZ-UHFFFAOYSA-N 0 0 312.373 2.094 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000076487068 191652799 /nfs/dbraw/zinc/65/27/99/191652799.db2.gz LJTDRQAOJPMUQE-UHFFFAOYSA-N 0 0 315.333 2.214 10 30 DEEERN N#Cc1cccc(-n2ccc(=O)c(Cc3cccc(N)c3)n2)c1 ZINC000098184121 355707580 /nfs/dbraw/zinc/70/75/80/355707580.db2.gz IJEXXKYOSZAYMW-UHFFFAOYSA-N 0 0 302.337 2.277 10 30 DEEERN C[C@@H](COS(C)(=O)=O)Nc1ccc2c(C#N)cccc2c1 ZINC000143962829 355901385 /nfs/dbraw/zinc/90/13/85/355901385.db2.gz HJGHDXQJEQKHAN-NSHDSACASA-N 0 0 304.371 2.488 10 30 DEEERN Cc1ccc([C@H](C)NC(=O)CNC(=O)c2ccc(C#N)cc2)o1 ZINC000171108284 355996913 /nfs/dbraw/zinc/99/69/13/355996913.db2.gz FADQWAZYFGPNKX-LBPRGKRZSA-N 0 0 311.341 2.067 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1c(F)cccc1OC ZINC000179906416 356037671 /nfs/dbraw/zinc/03/76/71/356037671.db2.gz UOONLSLDGTULJG-STQMWFEESA-N 0 0 321.396 2.493 10 30 DEEERN C=CCCC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000180850212 356063584 /nfs/dbraw/zinc/06/35/84/356063584.db2.gz CGLPWDNMOXNJAG-LBPRGKRZSA-N 0 0 310.419 2.069 10 30 DEEERN Cc1nn(C)c(C)c1CCNC(=O)Nc1ccc(F)cc1C#N ZINC000193724063 356228999 /nfs/dbraw/zinc/22/89/99/356228999.db2.gz FCKQKENWIOVYGZ-UHFFFAOYSA-N 0 0 315.352 2.412 10 30 DEEERN C=CCCC[C@H](C)NC(=O)Nc1nn(C)cc1C(=O)OCC ZINC000184000669 356183116 /nfs/dbraw/zinc/18/31/16/356183116.db2.gz UFXIOMLCRJZQDD-NSHDSACASA-N 0 0 308.382 2.463 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000184437847 356191381 /nfs/dbraw/zinc/19/13/81/356191381.db2.gz VQXBWQHSTAFJOZ-XHSDSOJGSA-N 0 0 304.390 2.143 10 30 DEEERN C#CC[C@@H](NN)c1cc(Cl)ccc1I ZINC000236283877 356289315 /nfs/dbraw/zinc/28/93/15/356289315.db2.gz MQDLHYMARXPTRS-SNVBAGLBSA-N 0 0 320.561 2.472 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000081154300 192230832 /nfs/dbraw/zinc/23/08/32/192230832.db2.gz UOSLKKUZHDFYTD-UHFFFAOYSA-N 0 0 308.341 2.424 10 30 DEEERN Cc1ncc(S(=O)(=O)N(CC2CC2)CC2CC2)cc1C#N ZINC000314199777 356415699 /nfs/dbraw/zinc/41/56/99/356415699.db2.gz SNMLKSNCRCUMNM-UHFFFAOYSA-N 0 0 305.403 2.072 10 30 DEEERN COC(=O)c1c(C)cc(I)cc1C#N ZINC000306606958 356405014 /nfs/dbraw/zinc/40/50/14/356405014.db2.gz SLXKIZFXZFJERJ-UHFFFAOYSA-N 0 0 301.083 2.258 10 30 DEEERN COC(=O)c1cc(C)cc(C#N)c1I ZINC000307610282 356409299 /nfs/dbraw/zinc/40/92/99/356409299.db2.gz GTMZUSBZTGMPRZ-UHFFFAOYSA-N 0 0 301.083 2.258 10 30 DEEERN C[C@H]1OCC[C@@H]1S(=O)(=O)Oc1ccc(C#N)cc1Cl ZINC000184318011 199702759 /nfs/dbraw/zinc/70/27/59/199702759.db2.gz ZGWATSCBVJRRPS-PELKAZGASA-N 0 0 301.751 2.098 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccccc1OCCCOC ZINC000184558609 199731223 /nfs/dbraw/zinc/73/12/23/199731223.db2.gz SKRIHFRJFHOVHF-CYBMUJFWSA-N 0 0 308.378 2.160 10 30 DEEERN CN1CCN(c2cncc(C#N)n2)C[C@H]1c1ccccc1Cl ZINC000575603894 540250329 /nfs/dbraw/zinc/25/03/29/540250329.db2.gz RRCITUDNMDFIOD-HNNXBMFYSA-N 0 0 313.792 2.495 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)c2cc(C#N)cn2C)C12CCCC2 ZINC000081550523 192290018 /nfs/dbraw/zinc/29/00/18/192290018.db2.gz YFRLDIHPKGRVKH-LSDHHAIUSA-N 0 0 301.390 2.364 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000081731659 192317678 /nfs/dbraw/zinc/31/76/78/192317678.db2.gz GPUYFRMLEDZHQH-MRXNPFEDSA-N 0 0 313.332 2.250 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1ccccc1-n1ccnc1 ZINC000081755867 192320467 /nfs/dbraw/zinc/32/04/67/192320467.db2.gz REVSKDCXYYBBNK-UHFFFAOYSA-N 0 0 305.341 2.012 10 30 DEEERN C=CCOCCCNC(=O)c1c[nH]nc1-c1ccc(OC)cc1 ZINC000618514378 363512794 /nfs/dbraw/zinc/51/27/94/363512794.db2.gz KBXJSZWQCRKUQP-UHFFFAOYSA-N 0 0 315.373 2.408 10 30 DEEERN C=CCOCCCNC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1 ZINC000618522243 363514519 /nfs/dbraw/zinc/51/45/19/363514519.db2.gz AUWZKLNBEHEYRE-HWOWSKLDSA-N 0 0 322.449 2.123 10 30 DEEERN C=CCOCCCNC(=O)C[C@H]1COc2cc(OC)ccc21 ZINC000618526346 363517201 /nfs/dbraw/zinc/51/72/01/363517201.db2.gz PYEOEWZCAVYIBA-ZDUSSCGKSA-N 0 0 305.374 2.270 10 30 DEEERN C=CCC1(c2nc(C3(COC)CCOCC3)no2)CCOCC1 ZINC000351306023 356650927 /nfs/dbraw/zinc/65/09/27/356650927.db2.gz JSDLJAGDVLFUQK-UHFFFAOYSA-N 0 0 322.405 2.389 10 30 DEEERN N#CCCOCC[S@@](=O)c1ccc(Br)cc1 ZINC000385175535 356686777 /nfs/dbraw/zinc/68/67/77/356686777.db2.gz BYGAOTZGVQJDII-MRXNPFEDSA-N 0 0 302.193 2.487 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cn(C)nc1C(F)(F)F ZINC000579230622 356942113 /nfs/dbraw/zinc/94/21/13/356942113.db2.gz XVLQFSMCNABSKT-WPRPVWTQSA-N 0 0 318.299 2.152 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CCOCC1 ZINC000581365103 357174414 /nfs/dbraw/zinc/17/44/14/357174414.db2.gz FESPRVDOMISEIU-GFCCVEGCSA-N 0 0 320.355 2.112 10 30 DEEERN CC(C)OC[C@@H]1C(=O)N(CC2CCC(C#N)CC2)C(=O)N1C ZINC000586868711 357377909 /nfs/dbraw/zinc/37/79/09/357377909.db2.gz MYQUTTQLWGPODT-JXQTWKCFSA-N 0 0 307.394 2.004 10 30 DEEERN Cc1c(Cl)cnc(N2CCC[C@@H](CC(N)=O)CC2)c1C#N ZINC000585783694 357355048 /nfs/dbraw/zinc/35/50/48/357355048.db2.gz CETPJAJFHGCMOM-LLVKDONJSA-N 0 0 306.797 2.397 10 30 DEEERN Cc1cc(C#N)cc(N2CCCN(Cc3cscn3)CC2)n1 ZINC000587820876 357383471 /nfs/dbraw/zinc/38/34/71/357383471.db2.gz FEZASYLCZYGRHY-UHFFFAOYSA-N 0 0 313.430 2.431 10 30 DEEERN Cc1cc(C#N)cc(N(C)CC(C)(C)CN2CCOCC2)n1 ZINC000588005485 357387494 /nfs/dbraw/zinc/38/74/94/357387494.db2.gz RHOHUADFKJCIMF-UHFFFAOYSA-N 0 0 302.422 2.056 10 30 DEEERN CC#CCCCC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000592729210 357931374 /nfs/dbraw/zinc/93/13/74/357931374.db2.gz ORQGAKAUEUDGHM-HNNXBMFYSA-N 0 0 319.405 2.113 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCc2cccc(C(=O)OC)c2C1 ZINC000592886845 357969730 /nfs/dbraw/zinc/96/97/30/357969730.db2.gz CHURVIMJQYLSNG-CYBMUJFWSA-N 0 0 317.385 2.339 10 30 DEEERN C=CCCCS(=O)(=O)N(CC(=O)OC(C)(C)C)CC1CC1 ZINC000593640119 358116405 /nfs/dbraw/zinc/11/64/05/358116405.db2.gz YGZIECYJAQBBBS-UHFFFAOYSA-N 0 0 317.451 2.336 10 30 DEEERN C=CCCn1cc(C[S@](=O)Cc2c(C)onc2CC)nn1 ZINC000593936671 358174983 /nfs/dbraw/zinc/17/49/83/358174983.db2.gz XMHLKTHOJGMCLZ-NRFANRHFSA-N 0 0 308.407 2.162 10 30 DEEERN C=CCCn1cc(C[S@](=O)Cc2ccc(C#N)c(F)c2)nn1 ZINC000593938576 358175134 /nfs/dbraw/zinc/17/51/34/358175134.db2.gz NGOMGNMGFANJTQ-JOCHJYFZSA-N 0 0 318.377 2.314 10 30 DEEERN C=CCCn1cc(CN2CCC[C@H](C(=O)OC(C)(C)C)C2)nn1 ZINC000593973218 358181455 /nfs/dbraw/zinc/18/14/55/358181455.db2.gz GUVAOFRHQPHINC-AWEZNQCLSA-N 0 0 320.437 2.408 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N[C@H](C(=O)OCC)C1CCCCCC1 ZINC000594407633 358259463 /nfs/dbraw/zinc/25/94/63/358259463.db2.gz CZRPMDOEPZJMDK-DOTOQJQBSA-N 0 0 311.422 2.332 10 30 DEEERN C=CCCn1cc(COc2ccc(OC)cc2[N+](=O)[O-])nn1 ZINC000594444394 358273540 /nfs/dbraw/zinc/27/35/40/358273540.db2.gz QPUNIHQOIWQQOI-UHFFFAOYSA-N 0 0 304.306 2.350 10 30 DEEERN C=CCCn1cc(CS[C@@H](C)C(=O)NCC(F)(F)F)nn1 ZINC000594565183 358295022 /nfs/dbraw/zinc/29/50/22/358295022.db2.gz RVIIUGSJWXVLKH-VIFPVBQESA-N 0 0 322.356 2.154 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC[C@@H]1c1cccc(F)c1 ZINC000618782638 363602804 /nfs/dbraw/zinc/60/28/04/363602804.db2.gz YXVUVHJTXUUDLA-OAGGEKHMSA-N 0 0 305.349 2.317 10 30 DEEERN C=CCCSCCNS(=O)(=O)c1cccc(N(C)C)c1 ZINC000594815332 358342365 /nfs/dbraw/zinc/34/23/65/358342365.db2.gz QPZGUVUZWWFSSZ-UHFFFAOYSA-N 0 0 314.476 2.340 10 30 DEEERN C=CCCSCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000594815176 358342697 /nfs/dbraw/zinc/34/26/97/358342697.db2.gz NJJIOLILXMEWMD-UHFFFAOYSA-N 0 0 322.433 2.244 10 30 DEEERN C=CCCSCCNC(=O)C(=O)N1CCC[C@@H](CCF)C1 ZINC000595200643 358400775 /nfs/dbraw/zinc/40/07/75/358400775.db2.gz JOLOYVQOYIFRDH-ZDUSSCGKSA-N 0 0 316.442 2.010 10 30 DEEERN C=CCOCCCNC(=O)N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000595768354 358544194 /nfs/dbraw/zinc/54/41/94/358544194.db2.gz ZDOQKMVRPWBTSH-DMZKTXOQSA-N 0 0 324.446 2.377 10 30 DEEERN C=C(Cn1ccnc1[C@@H](O)c1ccc(F)cc1)C(=O)OCC ZINC000276572835 212969872 /nfs/dbraw/zinc/96/98/72/212969872.db2.gz HRFBTUTYJNCLLU-AWEZNQCLSA-N 0 0 304.321 2.223 10 30 DEEERN C=CCCSCCNC(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000595722900 358533294 /nfs/dbraw/zinc/53/32/94/358533294.db2.gz IXLOACDGKCECMZ-ZDUSSCGKSA-N 0 0 308.394 2.361 10 30 DEEERN C=C(C)Cc1cccc(C(=O)OC)c1OC[C@H]1COCCO1 ZINC000596288541 358660787 /nfs/dbraw/zinc/66/07/87/358660787.db2.gz KZCIZPOUGKFGGR-CQSZACIVSA-N 0 0 306.358 2.386 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)SCc1nc(N(C)C)no1 ZINC000596412739 358681664 /nfs/dbraw/zinc/68/16/64/358681664.db2.gz VCECXVSAVUCAET-NSHDSACASA-N 0 0 312.439 2.182 10 30 DEEERN C=CCOCCCNC(=O)Nc1ccc(CC(=O)OC)cc1 ZINC000596704369 358743265 /nfs/dbraw/zinc/74/32/65/358743265.db2.gz LPZIUIRBSJLVGS-UHFFFAOYSA-N 0 0 306.362 2.116 10 30 DEEERN C=CC[C@H]1CCCN(C(=O)Nc2ncc(C(=O)OCC)n2C)C1 ZINC000596901343 358784636 /nfs/dbraw/zinc/78/46/36/358784636.db2.gz IZRSPRUQRMOASI-LBPRGKRZSA-N 0 0 320.393 2.417 10 30 DEEERN C=CCC[C@H](NCc1c(C(F)(F)F)cnn1C)C(=O)OCC ZINC000597149064 358835558 /nfs/dbraw/zinc/83/55/58/358835558.db2.gz BQVDRQINSZQNFS-NSHDSACASA-N 0 0 319.327 2.426 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC(C)(C)CC#N ZINC000597342305 358893225 /nfs/dbraw/zinc/89/32/25/358893225.db2.gz MCRROXQFUDCEKR-KGLIPLIRSA-N 0 0 305.422 2.294 10 30 DEEERN C=CCC[C@@H](NC(=O)[C@@]1(O)CCCC(C)(C)C1)C(=O)OCC ZINC000597732946 358993262 /nfs/dbraw/zinc/99/32/62/358993262.db2.gz MVMYBPMORVHSEE-CXAGYDPISA-N 0 0 311.422 2.332 10 30 DEEERN C=C[C@@H](O)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000597823684 359016723 /nfs/dbraw/zinc/01/67/23/359016723.db2.gz OXMRWOCHWMDOCR-YVECIDJPSA-N 0 0 311.422 2.042 10 30 DEEERN C=CCOCCCNC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C ZINC000598206970 359122647 /nfs/dbraw/zinc/12/26/47/359122647.db2.gz CDODXDPZYRJJJR-KRWDZBQOSA-N 0 0 311.422 2.453 10 30 DEEERN C=CCCSCCNC(=O)c1cnc(OCC2CC2)cn1 ZINC000597970539 359055081 /nfs/dbraw/zinc/05/50/81/359055081.db2.gz RSBHAJKJHSTFOV-UHFFFAOYSA-N 0 0 307.419 2.305 10 30 DEEERN C=CCCSCCNC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000597974196 359056321 /nfs/dbraw/zinc/05/63/21/359056321.db2.gz DJXFWXCCILJGAN-UHFFFAOYSA-N 0 0 320.458 2.459 10 30 DEEERN C=CCCO[C@H](C)C(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 ZINC000089200147 192741665 /nfs/dbraw/zinc/74/16/65/192741665.db2.gz GQCYHUNFWCAYDE-GFCCVEGCSA-N 0 0 311.403 2.318 10 30 DEEERN C=CCOCCCC(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000618940411 363644945 /nfs/dbraw/zinc/64/49/45/363644945.db2.gz SJHPSJXGMRUPIG-HZPDHXFCSA-N 0 0 305.422 2.230 10 30 DEEERN C=CCSCCNS(=O)(=O)c1ccc(C)c(F)c1F ZINC000599224989 359435826 /nfs/dbraw/zinc/43/58/26/359435826.db2.gz GLUWRQBWMINUMV-UHFFFAOYSA-N 0 0 307.387 2.471 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000600003923 359633144 /nfs/dbraw/zinc/63/31/44/359633144.db2.gz JBGBQXNVCFIRCU-NSHDSACASA-N 0 0 301.321 2.060 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N(C)CC1(CO)CC1 ZINC000187166314 200070603 /nfs/dbraw/zinc/07/06/03/200070603.db2.gz JCJVEHFCDTUZSQ-UHFFFAOYSA-N 0 0 304.390 2.165 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1c(C)csc1C(=O)OC ZINC000187417309 200110014 /nfs/dbraw/zinc/11/00/14/200110014.db2.gz ZKOCLGZBMKRODQ-UHFFFAOYSA-N 0 0 324.402 2.206 10 30 DEEERN C=C[C@H](CC(=O)N1CC[C@](OC)(C(=O)OC)C1)c1ccccc1 ZINC000600289778 359714364 /nfs/dbraw/zinc/71/43/64/359714364.db2.gz ZKRLCWUZXFKLFJ-RDTXWAMCSA-N 0 0 317.385 2.137 10 30 DEEERN C=CC[C@@H](C(=O)N1CC[C@@](OC)(C(=O)OC)C1)c1ccccc1 ZINC000600294270 359714546 /nfs/dbraw/zinc/71/45/46/359714546.db2.gz MJAJYRUHJSWLJU-QAPCUYQASA-N 0 0 317.385 2.137 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000627626445 366572316 /nfs/dbraw/zinc/57/23/16/366572316.db2.gz CBLLGPLSWHPLEA-BBRMVZONSA-N 0 0 316.401 2.029 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1cn(C)nc1-c1ccc(C)o1 ZINC000627678727 366589197 /nfs/dbraw/zinc/58/91/97/366589197.db2.gz ATXJPGZSNYCUTG-LBPRGKRZSA-N 0 0 303.362 2.045 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc2c(c1)CCO2 ZINC000627688151 366592663 /nfs/dbraw/zinc/59/26/63/366592663.db2.gz QXNAYWHXPFCWOW-UHFFFAOYSA-N 0 0 302.374 2.279 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 ZINC000627733060 366603295 /nfs/dbraw/zinc/60/32/95/366603295.db2.gz KDLZHKZXCSJOGM-LBPRGKRZSA-N 0 0 304.394 2.001 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ncc(CCC)s2)C1 ZINC000627734621 366604359 /nfs/dbraw/zinc/60/43/59/366604359.db2.gz YFCVZVXYVONQAW-LLVKDONJSA-N 0 0 307.419 2.459 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(OC)cc2F)C1 ZINC000627734375 366604708 /nfs/dbraw/zinc/60/47/08/366604708.db2.gz QZVSMTCPJJYSOA-JTQLQIEISA-N 0 0 324.327 2.337 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(F)c(F)c2)C1 ZINC000627735044 366604837 /nfs/dbraw/zinc/60/48/37/366604837.db2.gz JUTMBUBXFYIXTE-VIFPVBQESA-N 0 0 312.291 2.467 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1ccc(C)c(Br)c1 ZINC000188797397 200304434 /nfs/dbraw/zinc/30/44/34/200304434.db2.gz BLVGOHNZQSPXRJ-GFCCVEGCSA-N 0 0 312.207 2.353 10 30 DEEERN C=CCn1cc(CNC(=O)c2csc(C(F)(F)F)c2)nn1 ZINC000627830674 366635773 /nfs/dbraw/zinc/63/57/73/366635773.db2.gz HBGMGOJKVKGXRC-UHFFFAOYSA-N 0 0 316.308 2.474 10 30 DEEERN C=C1CC(C)(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000601193594 359959580 /nfs/dbraw/zinc/95/95/80/359959580.db2.gz LVSCMLSBLGYDHS-GFCCVEGCSA-N 0 0 316.361 2.359 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1Nc1cc(CCC(=O)OCC)nc(C)n1 ZINC000601170828 359951350 /nfs/dbraw/zinc/95/13/50/359951350.db2.gz DDEDDEZCNRDWIU-CABCVRRESA-N 0 0 319.405 2.426 10 30 DEEERN C=C[C@@H](CC(=O)NC1CC(N2CCOCC2)C1)c1ccccc1 ZINC000627937133 366665923 /nfs/dbraw/zinc/66/59/23/366665923.db2.gz JLMCKAWGSQTYBQ-ZLPCBKJTSA-N 0 0 314.429 2.326 10 30 DEEERN C=C(C)C[C@H](Nc1ncc(Br)cn1)C(=O)OC ZINC000601227013 359973693 /nfs/dbraw/zinc/97/36/93/359973693.db2.gz KQMXTOHRLWESOQ-VIFPVBQESA-N 0 0 300.156 2.159 10 30 DEEERN C=C(C)C[C@H](NC(=O)COc1ccccc1OCC)C(=O)OC ZINC000601772880 360141754 /nfs/dbraw/zinc/14/17/54/360141754.db2.gz RYPNLNYLXSMNKN-ZDUSSCGKSA-N 0 0 321.373 2.088 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCc1ccccc1OC)C(=O)OC ZINC000601772167 360141825 /nfs/dbraw/zinc/14/18/25/360141825.db2.gz NQPCHGGKLPYRSP-AWEZNQCLSA-N 0 0 305.374 2.252 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OC ZINC000601778083 360143617 /nfs/dbraw/zinc/14/36/17/360143617.db2.gz LGIGYOCTEIGXCG-SECBINFHSA-N 0 0 312.347 2.202 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc2ccc(OC)cc2[nH]1)C(=O)OC ZINC000601780630 360144432 /nfs/dbraw/zinc/14/44/32/360144432.db2.gz ZMZWSKYEGBJRLM-HNNXBMFYSA-N 0 0 316.357 2.414 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCc1cccc(OC)c1F)C(=O)OC ZINC000601781788 360146068 /nfs/dbraw/zinc/14/60/68/360146068.db2.gz LPYIPMREPJTYDA-ZDUSSCGKSA-N 0 0 323.364 2.391 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(=O)OC ZINC000601784437 360148074 /nfs/dbraw/zinc/14/80/74/360148074.db2.gz ISPCMAYTTQWKSX-XHSDSOJGSA-N 0 0 312.369 2.286 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)[nH]1)C(=O)OC ZINC000601784943 360148844 /nfs/dbraw/zinc/14/88/44/360148844.db2.gz OFRGNHKONIYLCV-VIFPVBQESA-N 0 0 304.268 2.271 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cccc(NC(C)=O)c1C)C(=O)OC ZINC000601786804 360149711 /nfs/dbraw/zinc/14/97/11/360149711.db2.gz IVSRKEVWNZDHQN-OAHLLOKOSA-N 0 0 318.373 2.191 10 30 DEEERN C=CCC[C@@H](C(=O)N1CC(NC(=O)C2CC2)C1)c1ccccc1 ZINC000189382265 200390742 /nfs/dbraw/zinc/39/07/42/200390742.db2.gz SSWUWYWBMGMHFJ-QGZVFWFLSA-N 0 0 312.413 2.473 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(COC(C)(C)C)on1)C(=O)OC ZINC000601788710 360151295 /nfs/dbraw/zinc/15/12/95/360151295.db2.gz XCSSJATVNPAXFK-ZDUSSCGKSA-N 0 0 324.377 2.227 10 30 DEEERN C=CCn1c(-c2ncccn2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC000601853531 360175247 /nfs/dbraw/zinc/17/52/47/360175247.db2.gz BRHBFMGDLZSNQI-OLZOCXBDSA-N 0 0 309.377 2.050 10 30 DEEERN C=CCC1(NC(=O)c2cnc3ccc(OC)nn32)CCCC1 ZINC000619110732 363708143 /nfs/dbraw/zinc/70/81/43/363708143.db2.gz OMITWXVWMKFODU-UHFFFAOYSA-N 0 0 300.362 2.357 10 30 DEEERN C=CCC[C@H](NC(=O)c1ocnc1C(F)(F)F)C(=O)OCC ZINC000602160824 360291989 /nfs/dbraw/zinc/29/19/89/360291989.db2.gz NKWMQZUIRMYGIR-QMMMGPOBSA-N 0 0 320.267 2.321 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@H](OC)C1 ZINC000602384139 360353918 /nfs/dbraw/zinc/35/39/18/360353918.db2.gz ADNGWQZCTLXKBL-CTYIDZIISA-N 0 0 319.361 2.470 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cccc(F)c1OCC)C(=O)OC ZINC000602414228 360361194 /nfs/dbraw/zinc/36/11/94/360361194.db2.gz MZUAWRBFEFBJHM-CYBMUJFWSA-N 0 0 309.337 2.462 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cccc2c1CCCN2)C(=O)OC ZINC000602601721 360452258 /nfs/dbraw/zinc/45/22/58/360452258.db2.gz SGQDOZOUKJLLMH-OAHLLOKOSA-N 0 0 302.374 2.282 10 30 DEEERN C=C(C)C[C@@H](NCc1ccc(OC)c(OC)c1OC)C(=O)OC ZINC000602730678 360522623 /nfs/dbraw/zinc/52/26/23/360522623.db2.gz DSDKSOUHIINYPG-CYBMUJFWSA-N 0 0 323.389 2.310 10 30 DEEERN C=C(C)C[C@H](NCc1ccc(C(=O)NC2CC2)cc1)C(=O)OC ZINC000602733016 360524779 /nfs/dbraw/zinc/52/47/79/360524779.db2.gz GSVYUZVVIKRLHT-INIZCTEOSA-N 0 0 316.401 2.176 10 30 DEEERN C=CCN(C)C(=O)c1ncc(I)s1 ZINC000603432866 360831396 /nfs/dbraw/zinc/83/13/96/360831396.db2.gz VMDMWBUHUGTGML-UHFFFAOYSA-N 0 0 308.144 2.006 10 30 DEEERN Cn1ncc(C(=O)NCc2ccc(C#N)cc2F)c1C(F)F ZINC000609228544 361290587 /nfs/dbraw/zinc/29/05/87/361290587.db2.gz JTNNIYFPRPYMQF-UHFFFAOYSA-N 0 0 308.263 2.298 10 30 DEEERN N#Cc1ccc(CNC(=O)c2c[nH]nc2-c2ccncc2)c(F)c1 ZINC000609240986 361291475 /nfs/dbraw/zinc/29/14/75/361291475.db2.gz BPYFWYMTVBTOPN-UHFFFAOYSA-N 0 0 321.315 2.412 10 30 DEEERN N#Cc1cc(C(=O)NCCc2nc3c(s2)CCCC3)ccn1 ZINC000193081407 200988485 /nfs/dbraw/zinc/98/84/85/200988485.db2.gz SDRWFDKSANQOKC-UHFFFAOYSA-N 0 0 312.398 2.261 10 30 DEEERN N#Cc1cc(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)ccn1 ZINC000193283932 201020400 /nfs/dbraw/zinc/02/04/00/201020400.db2.gz VRGPGXWFPCTGCV-HNNXBMFYSA-N 0 0 324.359 2.491 10 30 DEEERN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H](C)C(C)C)CC2)o1 ZINC000193322027 201029140 /nfs/dbraw/zinc/02/91/40/201029140.db2.gz GPELDRUOGJRVEO-GFCCVEGCSA-N 0 0 318.421 2.479 10 30 DEEERN N#Cc1cccc(CC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000610520609 361414786 /nfs/dbraw/zinc/41/47/86/361414786.db2.gz MMCHFSUQNBAWJY-INIZCTEOSA-N 0 0 319.364 2.022 10 30 DEEERN CCCN(CC(=O)OC(C)(C)C)C(=O)c1ccnc(C#N)c1 ZINC000193812912 201127491 /nfs/dbraw/zinc/12/74/91/201127491.db2.gz DLNWNJQWDJBYTI-UHFFFAOYSA-N 0 0 303.362 2.147 10 30 DEEERN C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)c1ccncc1 ZINC000610518339 361415058 /nfs/dbraw/zinc/41/50/58/361415058.db2.gz AMLMWBGXAGVLFM-NSHDSACASA-N 0 0 319.361 2.174 10 30 DEEERN C=CCCO[C@H](C)C(=O)NC[C@]1(C)COc2ccccc2O1 ZINC000628326792 366813109 /nfs/dbraw/zinc/81/31/09/366813109.db2.gz WGPHJSARHZMCDN-CXAGYDPISA-N 0 0 305.374 2.314 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1ccc(S(=O)(=O)NCC)cc1 ZINC000628318280 366807301 /nfs/dbraw/zinc/80/73/01/366807301.db2.gz WNERTBSRYBEGFN-UHFFFAOYSA-N 0 0 324.446 2.317 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCc1c(C(F)(F)F)cnn1C)OCC ZINC000628356053 366825528 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C=C[C@H](C(=O)OC)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000619716191 363863640 /nfs/dbraw/zinc/86/36/40/363863640.db2.gz ZEQUMSYKWAJCNH-GFCCVEGCSA-N 0 0 314.838 2.247 10 30 DEEERN CC[C@@H]1c2ccccc2CCN1C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000619592646 363836404 /nfs/dbraw/zinc/83/64/04/363836404.db2.gz QDDUTXWFQSWWSS-IUODEOHRSA-N 0 0 309.373 2.247 10 30 DEEERN CCOC(=O)CC1([C@@H]2CO2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000675052696 541285788 /nfs/dbraw/zinc/28/57/88/541285788.db2.gz HSPFXQYPGSSUDV-LBPRGKRZSA-N 0 0 313.394 2.356 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(=O)cnc2ccccc21 ZINC000620317174 364014725 /nfs/dbraw/zinc/01/47/25/364014725.db2.gz JKHVKTZIPCGNJY-OKILXGFUSA-N 0 0 309.369 2.106 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000620317712 364015176 /nfs/dbraw/zinc/01/51/76/364015176.db2.gz YIZHHBPZXSRHCL-ZENOOKHLSA-N 0 0 312.369 2.486 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(OCC)c(C)n1 ZINC000620647619 364109960 /nfs/dbraw/zinc/10/99/60/364109960.db2.gz 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C=CC(C)(C)CCNC(=O)N[C@H](CO)[C@@H]1CCC[C@H](OC)C1 ZINC000624459438 365428809 /nfs/dbraw/zinc/42/88/09/365428809.db2.gz CDFXLFUFILVOIQ-QLFBSQMISA-N 0 0 312.454 2.454 10 30 DEEERN C=CC(C)(C)CCNC(=O)N(C)Cc1nc(CCOC)no1 ZINC000624465619 365431160 /nfs/dbraw/zinc/43/11/60/365431160.db2.gz XLFAAWAYXRXVER-UHFFFAOYSA-N 0 0 310.398 2.002 10 30 DEEERN CC1CCN(C(=O)N(C)Cc2csc(C#CCO)c2)CC1 ZINC000091992325 193138305 /nfs/dbraw/zinc/13/83/05/193138305.db2.gz OHMCTZVVPKSCMG-UHFFFAOYSA-N 0 0 306.431 2.376 10 30 DEEERN C=CCSc1ccccc1C(=O)NC[C@@H](O)[C@H]1CCCO1 ZINC000628592937 366891241 /nfs/dbraw/zinc/89/12/41/366891241.db2.gz BCWIRBAMDADZHZ-ZIAGYGMSSA-N 0 0 307.415 2.234 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3C4CCC3CC4)cc2C1=O ZINC000628833260 366984196 /nfs/dbraw/zinc/98/41/96/366984196.db2.gz ZVMALWJQBYINQG-UHFFFAOYSA-N 0 0 310.353 2.236 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000629272164 367145274 /nfs/dbraw/zinc/14/52/74/367145274.db2.gz TWYCIUDUHMKKEV-IMJJTQAJSA-N 0 0 322.355 2.408 10 30 DEEERN C=CCCOCCCCC(=O)N[C@H]1CCO[C@H]1c1nc(C)no1 ZINC000629788297 367336476 /nfs/dbraw/zinc/33/64/76/367336476.db2.gz OTYFBETXYCYTEG-DZGCQCFKSA-N 0 0 323.393 2.087 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NC1(c2cc(C)no2)CCOCC1 ZINC000629727372 367316099 /nfs/dbraw/zinc/31/60/99/367316099.db2.gz CLRPLHGQZCEONX-ZDUSSCGKSA-N 0 0 308.378 2.086 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCO[C@@](C)(COC)C2)cc1 ZINC000629907701 367371749 /nfs/dbraw/zinc/37/17/49/367371749.db2.gz POKDPLPLOBTKJY-QGZVFWFLSA-N 0 0 305.374 2.129 10 30 DEEERN C=CCOCCCNC(=O)c1cc(-c2ccccc2O)n[nH]1 ZINC000630018189 367436715 /nfs/dbraw/zinc/43/67/15/367436715.db2.gz VADDWUWESQSBGL-UHFFFAOYSA-N 0 0 301.346 2.105 10 30 DEEERN CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2ccc(C#N)n2C)C1 ZINC000450658491 242077951 /nfs/dbraw/zinc/07/79/51/242077951.db2.gz NMKKOBHJDWLDIM-CYBMUJFWSA-N 0 0 317.389 2.091 10 30 DEEERN C=CCC[C@H](CO)Nc1ncnc2c(OC)cc(OC)cc12 ZINC000450914865 242387574 /nfs/dbraw/zinc/38/75/74/242387574.db2.gz 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CC#CCN(C)C(=O)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000452173462 244012485 /nfs/dbraw/zinc/01/24/85/244012485.db2.gz YZCSXCNDVYFZIS-UHFFFAOYSA-N 0 0 322.792 2.388 10 30 DEEERN CS[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000452556281 244383414 /nfs/dbraw/zinc/38/34/14/244383414.db2.gz FGMPLCSSVIPEAX-IAQYHMDHSA-N 0 0 312.435 2.212 10 30 DEEERN CC(C)N[C@]1(C#N)CCC[C@@H]1CCSc1nccc(=O)[nH]1 ZINC000093580107 193269727 /nfs/dbraw/zinc/26/97/27/193269727.db2.gz IRVMGHFIHBPYTC-DOMZBBRYSA-N 0 0 306.435 2.313 10 30 DEEERN CCN[C@@]1(C#N)CCC[C@@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093747557 193300631 /nfs/dbraw/zinc/30/06/31/193300631.db2.gz LYRSDZDIGLZQCW-RISCZKNCSA-N 0 0 309.439 2.059 10 30 DEEERN CC(C)N[C@]1(C#N)CC[C@@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093806739 193309269 /nfs/dbraw/zinc/30/92/69/193309269.db2.gz JHNNQFFPUZDIOE-QMTHXVAHSA-N 0 0 302.407 2.258 10 30 DEEERN CCCN[C@]1(C#N)CC[C@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093807033 193309316 /nfs/dbraw/zinc/30/93/16/193309316.db2.gz 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ZINC000040348911 183055760 /nfs/dbraw/zinc/05/57/60/183055760.db2.gz MWTUWBVAYUKROO-NSHDSACASA-N 0 0 301.371 2.180 10 30 DEEERN N#CCCN(CCC#N)c1ncnc(NNc2ccccc2)c1N ZINC000040737030 183126931 /nfs/dbraw/zinc/12/69/31/183126931.db2.gz SPHYLXLNABEJLX-UHFFFAOYSA-N 0 0 322.376 2.132 10 30 DEEERN Cc1ccccc1[C@@H](C#N)N1CCN(C(=O)c2ccncc2)CC1 ZINC000041258360 183182293 /nfs/dbraw/zinc/18/22/93/183182293.db2.gz WDEFEUPFYYXLRQ-GOSISDBHSA-N 0 0 320.396 2.413 10 30 DEEERN C[C@H](CN(C)Cc1cc(Br)ccc1F)/C(N)=N/O ZINC000042457820 183272610 /nfs/dbraw/zinc/27/26/10/183272610.db2.gz SJQIQTJJTFULOT-MRVPVSSYSA-N 0 0 318.190 2.403 10 30 DEEERN CCC[C@H](C#N)NS(=O)(=O)c1sccc1Br ZINC000042524370 183280041 /nfs/dbraw/zinc/28/00/41/183280041.db2.gz MHJVQLYOJJBBLL-SSDOTTSWSA-N 0 0 323.237 2.481 10 30 DEEERN CCC[C@@H](C#N)NS(=O)(=O)c1sccc1Br ZINC000042524369 183280100 /nfs/dbraw/zinc/28/01/00/183280100.db2.gz MHJVQLYOJJBBLL-ZETCQYMHSA-N 0 0 323.237 2.481 10 30 DEEERN CC(C)N(CC/C(N)=N/O)c1ccc(Br)cn1 ZINC000042529368 183281321 /nfs/dbraw/zinc/28/13/21/183281321.db2.gz DUUYDLQXXXCNKN-UHFFFAOYSA-N 0 0 301.188 2.195 10 30 DEEERN CC(C)N(CCC#N)S(=O)(=O)c1cc([N+](=O)[O-])ccc1F ZINC000042530545 183282071 /nfs/dbraw/zinc/28/20/71/183282071.db2.gz BVIRLIHOJPQJES-UHFFFAOYSA-N 0 0 315.326 2.047 10 30 DEEERN C#Cc1cccc(NC(=O)C2CCN(Cc3nccn3C)CC2)c1 ZINC000043269600 183349854 /nfs/dbraw/zinc/34/98/54/183349854.db2.gz APTZKLYGMMJTOP-UHFFFAOYSA-N 0 0 322.412 2.252 10 30 DEEERN CS(=O)(=O)c1ccc(OCc2ccc(C#CCO)s2)cc1 ZINC000043682988 183380236 /nfs/dbraw/zinc/38/02/36/183380236.db2.gz MRMROHBGAKDHLI-UHFFFAOYSA-N 0 0 322.407 2.074 10 30 DEEERN CC(C)(C)OCCNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000308568087 291692563 /nfs/dbraw/zinc/69/25/63/291692563.db2.gz UXXJLDQFWDCGBW-UHFFFAOYSA-N 0 0 316.810 2.305 10 30 DEEERN COC[C@@H](C)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104489108 194011261 /nfs/dbraw/zinc/01/12/61/194011261.db2.gz KOCHZWHMYSZRGO-CYBMUJFWSA-N 0 0 302.374 2.211 10 30 DEEERN COC[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CC(C)(C)O1 ZINC000284878675 218217508 /nfs/dbraw/zinc/21/75/08/218217508.db2.gz GINQTXUYVKBUCN-OAHLLOKOSA-N 0 0 315.417 2.462 10 30 DEEERN C[C@@H](C#N)N1CCN(Cc2cccc(Br)c2)CC1 ZINC000109452907 194264528 /nfs/dbraw/zinc/26/45/28/194264528.db2.gz ADTALGWMATVHHR-LBPRGKRZSA-N 0 0 308.223 2.479 10 30 DEEERN CN([C@@H]1CCSC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000159310159 197344334 /nfs/dbraw/zinc/34/43/34/197344334.db2.gz SEOSHWLCXIDCQD-SNVBAGLBSA-N 0 0 316.835 2.338 10 30 DEEERN COc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C#N)cc1 ZINC000058494908 184120616 /nfs/dbraw/zinc/12/06/16/184120616.db2.gz QQBSJEVWFFBZPD-UHFFFAOYSA-N 0 0 314.366 2.318 10 30 DEEERN CC[C@@H]1CN(C(=O)c2csc(C#CCCO)c2)CCS1 ZINC000157972668 197231968 /nfs/dbraw/zinc/23/19/68/197231968.db2.gz QKNAAHAPRYOXEN-CYBMUJFWSA-N 0 0 309.456 2.450 10 30 DEEERN CC[C@H](NC(=O)c1ccc(C#CCO)cn1)c1cccs1 ZINC000061862555 184190099 /nfs/dbraw/zinc/19/00/99/184190099.db2.gz GOXPRYZCWTZFTA-ZDUSSCGKSA-N 0 0 300.383 2.368 10 30 DEEERN CN(C)c1nc(Cl)nc(N(C)Cc2cccc(C#N)c2)n1 ZINC000061948861 184198410 /nfs/dbraw/zinc/19/84/10/184198410.db2.gz VAJGGIKJTJWWKN-UHFFFAOYSA-N 0 0 302.769 2.099 10 30 DEEERN C=CCNC(=O)[C@H](C)Oc1ccc(CO)cc1Br ZINC000062703113 184247893 /nfs/dbraw/zinc/24/78/93/184247893.db2.gz XTVQGLCVLHGEIT-VIFPVBQESA-N 0 0 314.179 2.011 10 30 DEEERN C=CCNC(=O)[C@@H](C)Oc1ccc(CO)cc1Br ZINC000062703114 184247900 /nfs/dbraw/zinc/24/79/00/184247900.db2.gz XTVQGLCVLHGEIT-SECBINFHSA-N 0 0 314.179 2.011 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000066311371 184402965 /nfs/dbraw/zinc/40/29/65/184402965.db2.gz ZLBSJMAWGQTJIS-JSGCOSHPSA-N 0 0 323.414 2.003 10 30 DEEERN CCCN[C@@](C)(C#N)C[C@@H](C)Sc1n[nH]c(=O)n1CCC ZINC000068626897 184494500 /nfs/dbraw/zinc/49/45/00/184494500.db2.gz XMBOJENETPDDTH-BXUZGUMPSA-N 0 0 311.455 2.134 10 30 DEEERN Cc1nnc([C@H]2CCCN(C(=O)c3ccc(C#N)cc3C)C2)[nH]1 ZINC000269599224 207665099 /nfs/dbraw/zinc/66/50/99/207665099.db2.gz HSANFVDUGGANSG-AWEZNQCLSA-N 0 0 309.373 2.313 10 30 DEEERN CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000377121176 285048659 /nfs/dbraw/zinc/04/86/59/285048659.db2.gz SZBHBLSESRAVMA-RBSFLKMASA-N 0 0 313.467 2.225 10 30 DEEERN C=CCNC(=O)CNC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000271987631 209362799 /nfs/dbraw/zinc/36/27/99/209362799.db2.gz LCFMGOWDEHJGCQ-ZDUSSCGKSA-N 0 0 321.808 2.141 10 30 DEEERN C[C@H](C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)n1cnc(C#N)n1 ZINC000540607052 285121392 /nfs/dbraw/zinc/12/13/92/285121392.db2.gz KVIUZMWDGGNVSA-XJFOESAGSA-N 0 0 301.394 2.186 10 30 DEEERN CC[C@@H]1CN(C(=O)c2ccc(C#CCO)c(C)c2)CCS1 ZINC000157976332 197231834 /nfs/dbraw/zinc/23/18/34/197231834.db2.gz GWWYDHJHUOXRHJ-MRXNPFEDSA-N 0 0 303.427 2.306 10 30 DEEERN CC[C@@H]1CN(C(=O)c2sccc2C#CCCO)CCS1 ZINC000157969633 197231472 /nfs/dbraw/zinc/23/14/72/197231472.db2.gz HRWYMQPLBIARAV-CYBMUJFWSA-N 0 0 309.456 2.450 10 30 DEEERN Cc1cc(Br)cn(Cc2cccnc2C#N)c1=O ZINC000156957553 197152788 /nfs/dbraw/zinc/15/27/88/197152788.db2.gz WDLLMGWPLINASR-UHFFFAOYSA-N 0 0 304.147 2.234 10 30 DEEERN CCN1CCCN(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)CC1=O ZINC000329859306 285206376 /nfs/dbraw/zinc/20/63/76/285206376.db2.gz ORJSWFIQXHQYLZ-DYVFJYSZSA-N 0 0 315.417 2.388 10 30 DEEERN N#Cc1cc(C[S@@](=O)c2ccc3c(c2)OCCO3)ccn1 ZINC000156388535 197109162 /nfs/dbraw/zinc/10/91/62/197109162.db2.gz QRCYUAGABPJROC-NRFANRHFSA-N 0 0 300.339 2.032 10 30 DEEERN O=C(NCc1ccccc1C#CCCO)[C@@H]1CCCCS1 ZINC000156272838 197100655 /nfs/dbraw/zinc/10/06/55/197100655.db2.gz CITPJBGVXQIEOK-INIZCTEOSA-N 0 0 303.427 2.322 10 30 DEEERN O=C(NC[C@@H]1CCCS1)c1ccc(F)cc1C#CCCO ZINC000155933883 197076059 /nfs/dbraw/zinc/07/60/59/197076059.db2.gz KKSMVKQXVMNLON-AWEZNQCLSA-N 0 0 307.390 2.185 10 30 DEEERN CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccc(C#N)cc1OC ZINC000120718312 195223237 /nfs/dbraw/zinc/22/32/37/195223237.db2.gz BGAYRIAEWQEHGK-INIZCTEOSA-N 0 0 315.417 2.400 10 30 DEEERN C=CCCS(=O)(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000120951127 195269515 /nfs/dbraw/zinc/26/95/15/195269515.db2.gz 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/nfs/dbraw/zinc/41/43/28/533414328.db2.gz HFIBPSWNGZFWRY-UHFFFAOYSA-N 0 0 304.350 2.416 10 30 DEEERN C[C@@H](CC(=O)N1CCc2ccc(C#N)cc21)N1CCCCC1=O ZINC000328759224 533421950 /nfs/dbraw/zinc/42/19/50/533421950.db2.gz WOPFSMOIRMQOTM-ZDUSSCGKSA-N 0 0 311.385 2.238 10 30 DEEERN CSC1(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000194011071 533510884 /nfs/dbraw/zinc/51/08/84/533510884.db2.gz KPCZLUCGVNYHGD-UHFFFAOYSA-N 0 0 316.835 2.386 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N(C)C[C@@H](C)CC ZINC000453461296 533536322 /nfs/dbraw/zinc/53/63/22/533536322.db2.gz OMSCOUVLPLUHPI-LBPRGKRZSA-N 0 0 317.441 2.440 10 30 DEEERN COC(=O)[C@]1(C)CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000181914644 533614314 /nfs/dbraw/zinc/61/43/14/533614314.db2.gz HJCIORVSZHWXLE-QGZVFWFLSA-N 0 0 312.369 2.267 10 30 DEEERN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ccc(C#N)nn1 ZINC000302388108 533620878 /nfs/dbraw/zinc/62/08/78/533620878.db2.gz BGRSIPYDELAWBO-AAEUAGOBSA-N 0 0 317.393 2.406 10 30 DEEERN CN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[C@@H]1CCSC1 ZINC000357393463 288915661 /nfs/dbraw/zinc/91/56/61/288915661.db2.gz PLFIBZZTPQOYFN-ABAIWWIYSA-N 0 0 312.435 2.212 10 30 DEEERN COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1sccc1C#N ZINC000357681987 133093303 /nfs/dbraw/zinc/09/33/03/133093303.db2.gz OPEMHBUSZPGFKO-XHDPSFHLSA-N 0 0 306.387 2.471 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000359626671 133135883 /nfs/dbraw/zinc/13/58/83/133135883.db2.gz AZGAWMDHBVPUHM-CYBMUJFWSA-N 0 0 306.387 2.030 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000359871146 133149910 /nfs/dbraw/zinc/14/99/10/133149910.db2.gz FMTPSQWXEOHRMJ-CXAGYDPISA-N 0 0 300.358 2.145 10 30 DEEERN CC(C)(C)n1cc(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)cn1 ZINC000362287871 133221711 /nfs/dbraw/zinc/22/17/11/133221711.db2.gz PKTWUJKIALWMKT-UHFFFAOYSA-N 0 0 314.320 2.470 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N(C)Cc1ncnn1CC(F)F ZINC000362844304 133254855 /nfs/dbraw/zinc/25/48/55/133254855.db2.gz UGGBCEIUKWMDPY-UHFFFAOYSA-N 0 0 319.315 2.254 10 30 DEEERN COc1cc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)ccc1C#N ZINC000368521097 133277040 /nfs/dbraw/zinc/27/70/40/133277040.db2.gz BMMWZUARRHWJMS-GOSISDBHSA-N 0 0 316.401 2.337 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@H]1CCCN(c2ccccc2)C1 ZINC000350839640 404480420 /nfs/dbraw/zinc/48/04/20/404480420.db2.gz ZWNAPHSOTKRNJX-HZPDHXFCSA-N 0 0 317.433 2.139 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000173905711 144851905 /nfs/dbraw/zinc/85/19/05/144851905.db2.gz QVRNFNPRNJQCCV-UHFFFAOYSA-N 0 0 324.336 2.138 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCC[C@@H]1CCCCO1 ZINC000181633083 144908220 /nfs/dbraw/zinc/90/82/20/144908220.db2.gz WEWGCKQLGMZWMN-HIFRSBDPSA-N 0 0 302.374 2.401 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NCC[C@H]1CCCCO1 ZINC000181633100 144908547 /nfs/dbraw/zinc/90/85/47/144908547.db2.gz WEWGCKQLGMZWMN-DZGCQCFKSA-N 0 0 302.374 2.401 10 30 DEEERN C[C@H](CCn1cccn1)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186013553 144973419 /nfs/dbraw/zinc/97/34/19/144973419.db2.gz KMUMZXHCDHFGBY-CYBMUJFWSA-N 0 0 307.361 2.226 10 30 DEEERN N#Cc1ccc(F)c(CNC(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)c1 ZINC000187582822 145000880 /nfs/dbraw/zinc/00/08/80/145000880.db2.gz MFOCYBQEELZCSM-YUELXQCFSA-N 0 0 303.337 2.064 10 30 DEEERN CN(CC(F)(F)F)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000188462720 145012075 /nfs/dbraw/zinc/01/20/75/145012075.db2.gz GZXLXFKSWSCXMM-UHFFFAOYSA-N 0 0 324.266 2.165 10 30 DEEERN N#Cc1c(F)cccc1C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000189399557 145027241 /nfs/dbraw/zinc/02/72/41/145027241.db2.gz FGZULCLPRDUHGR-ZDUSSCGKSA-N 0 0 317.345 2.368 10 30 DEEERN CN(C)C(=O)CCCC[S@@](=O)Cc1ccc(C#N)c(F)c1 ZINC000190824342 145048632 /nfs/dbraw/zinc/04/86/32/145048632.db2.gz XLTLFBLYZWBJQQ-OAQYLSRUSA-N 0 0 310.394 2.205 10 30 DEEERN N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000192752595 145078315 /nfs/dbraw/zinc/07/83/15/145078315.db2.gz XKBROUMBTCMZJE-LLVKDONJSA-N 0 0 324.344 2.223 10 30 DEEERN N#Cc1cc(C(=O)Nc2n[nH]c(Cc3cccc(F)c3)n2)ccn1 ZINC000193022714 145081362 /nfs/dbraw/zinc/08/13/62/145081362.db2.gz PJTGWEFRWLXSHD-UHFFFAOYSA-N 0 0 322.303 2.054 10 30 DEEERN COc1cccc(O[C@H](C)CNC(=O)c2ccnc(C#N)c2)c1 ZINC000193371622 145085116 /nfs/dbraw/zinc/08/51/16/145085116.db2.gz KEERRKBJVPKHAH-GFCCVEGCSA-N 0 0 311.341 2.159 10 30 DEEERN N#Cc1cnc(N2CCC[C@H](c3ccnc(N)n3)C2)c(Cl)c1 ZINC000193535720 145087160 /nfs/dbraw/zinc/08/71/60/145087160.db2.gz HHZCTVMPYTZNQN-NSHDSACASA-N 0 0 314.780 2.363 10 30 DEEERN CCOCCN1CCN(C(=O)C2(C#N)CCCCC2)C[C@H]1CC ZINC000116771842 286083585 /nfs/dbraw/zinc/08/35/85/286083585.db2.gz BKYWGOUATQSCHI-MRXNPFEDSA-N 0 0 321.465 2.420 10 30 DEEERN N#Cc1cnc(NCCC2CCN(CC(F)(F)F)CC2)cn1 ZINC000126342335 401689871 /nfs/dbraw/zinc/68/98/71/401689871.db2.gz HOWHBHHTHODJNO-UHFFFAOYSA-N 0 0 313.327 2.425 10 30 DEEERN CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)c1cnc(C#N)cn1 ZINC000126469413 401695642 /nfs/dbraw/zinc/69/56/42/401695642.db2.gz HSSOUHCBIQGSRK-KRWDZBQOSA-N 0 0 322.416 2.234 10 30 DEEERN N#Cc1cnc(N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)cn1 ZINC000126511988 401697662 /nfs/dbraw/zinc/69/76/62/401697662.db2.gz NSSDJUSRCZSSNX-CYBMUJFWSA-N 0 0 313.748 2.219 10 30 DEEERN CC#CCNC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000126671721 401703939 /nfs/dbraw/zinc/70/39/39/401703939.db2.gz UJKZCHZQRMEOKE-JTQLQIEISA-N 0 0 311.307 2.048 10 30 DEEERN N#Cc1cccc(C(=O)N2CCC(NC(=O)C3CCC3)CC2)c1 ZINC000075058054 401748160 /nfs/dbraw/zinc/74/81/60/401748160.db2.gz YDEPDRUZSJUYML-UHFFFAOYSA-N 0 0 311.385 2.079 10 30 DEEERN C=CCN(CC=C)CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000114723849 401808156 /nfs/dbraw/zinc/80/81/56/401808156.db2.gz KKRHXOGPRXIGCS-UHFFFAOYSA-N 0 0 310.401 2.163 10 30 DEEERN CC1(CNC(=O)CCCCOc2cccc(C#N)c2)COC1 ZINC000112618513 401751534 /nfs/dbraw/zinc/75/15/34/401751534.db2.gz XZKDAEAAZYXTJG-UHFFFAOYSA-N 0 0 302.374 2.260 10 30 DEEERN C#CCN(CC#C)C(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000075400028 401759033 /nfs/dbraw/zinc/75/90/33/401759033.db2.gz VOFWXDYOUPEWJU-GJZGRUSLSA-N 0 0 318.417 2.165 10 30 DEEERN C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccccn1 ZINC000128390945 401774984 /nfs/dbraw/zinc/77/49/84/401774984.db2.gz VYAOBUSJWNJPMJ-ZDUSSCGKSA-N 0 0 315.398 2.078 10 30 DEEERN N#Cc1cc(NC(=O)C(=O)NCCc2ccsc2)ccc1F ZINC000077538980 401819535 /nfs/dbraw/zinc/81/95/35/401819535.db2.gz KSCOUNALNLFMLM-UHFFFAOYSA-N 0 0 317.345 2.056 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(OC)cc1OC ZINC000077860924 401834694 /nfs/dbraw/zinc/83/46/94/401834694.db2.gz BTKZVEMOHBOWKI-UHFFFAOYSA-N 0 0 306.362 2.067 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000077861919 401835267 /nfs/dbraw/zinc/83/52/67/401835267.db2.gz ACRXEQUINRXRSR-UHFFFAOYSA-N 0 0 314.345 2.100 10 30 DEEERN C#CCSCCNC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000130727435 401838059 /nfs/dbraw/zinc/83/80/59/401838059.db2.gz ZRLBIVZGCZIKJL-DOMZBBRYSA-N 0 0 316.426 2.377 10 30 DEEERN C[C@H]1CCC[C@](C#N)(NC(=O)c2cccc3c2OCC(=O)N3)C1 ZINC000116798734 401859982 /nfs/dbraw/zinc/85/99/82/401859982.db2.gz LPXACLHPXSVNFL-GTNSWQLSSA-N 0 0 313.357 2.220 10 30 DEEERN C=CC[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000116849478 401861425 /nfs/dbraw/zinc/86/14/25/401861425.db2.gz RCIZYAHKNUNIMX-OCCSQVGLSA-N 0 0 306.431 2.362 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000119260450 401937201 /nfs/dbraw/zinc/93/72/01/401937201.db2.gz RISIZPKNNUTSRU-UHFFFAOYSA-N 0 0 313.279 2.057 10 30 DEEERN CNC(=O)CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000133027915 401878116 /nfs/dbraw/zinc/87/81/16/401878116.db2.gz PMERNZJZKJFDLF-UHFFFAOYSA-N 0 0 309.325 2.425 10 30 DEEERN CCc1ccc([C@@H](COC)NC(=O)c2cc(C#N)cn2C)o1 ZINC000081548442 401896823 /nfs/dbraw/zinc/89/68/23/401896823.db2.gz FNYZMEXOBDFAHZ-CYBMUJFWSA-N 0 0 301.346 2.170 10 30 DEEERN N#C[C@H]1COCCN1C(=O)c1ccc2nc(Cl)ccc2c1 ZINC000081739590 401897917 /nfs/dbraw/zinc/89/79/17/401897917.db2.gz NDXMOSMMQJMJOF-LBPRGKRZSA-N 0 0 301.733 2.253 10 30 DEEERN C#CCCCCNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000119512929 401955567 /nfs/dbraw/zinc/95/55/67/401955567.db2.gz KZNCYZYBZZANPP-SNVBAGLBSA-N 0 0 313.323 2.453 10 30 DEEERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000119550424 401958508 /nfs/dbraw/zinc/95/85/08/401958508.db2.gz ZWCDYROGYIPJTQ-GXSJLCMTSA-N 0 0 320.780 2.329 10 30 DEEERN COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(C#N)cc1 ZINC000151191676 402022331 /nfs/dbraw/zinc/02/23/31/402022331.db2.gz ZGMWWITWZQWDGQ-SWLSCSKDSA-N 0 0 311.389 2.482 10 30 DEEERN Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1cscn1 ZINC000050405355 402028083 /nfs/dbraw/zinc/02/80/83/402028083.db2.gz HUMOCBSYQODIQV-UHFFFAOYSA-N 0 0 317.418 2.119 10 30 DEEERN C=CCN(CC(=O)N[C@@H](C)CC)Cc1cccc([N+](=O)[O-])c1 ZINC000063297756 402112217 /nfs/dbraw/zinc/11/22/17/402112217.db2.gz DYSBGASSAPQBEL-ZDUSSCGKSA-N 0 0 305.378 2.498 10 30 DEEERN CCOCCN1CCN(C(=O)c2ccc(C#N)cc2C)C[C@@H]1C ZINC000123854096 402150362 /nfs/dbraw/zinc/15/03/62/402150362.db2.gz WWVMXWHDWBYBDF-HNNXBMFYSA-N 0 0 315.417 2.050 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000154004368 402186456 /nfs/dbraw/zinc/18/64/56/402186456.db2.gz VMSRLWYEYWCFPU-VIFPVBQESA-N 0 0 305.300 2.036 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN2CCC[C@H](C(=O)OC)C2)c1C ZINC000103481632 402191347 /nfs/dbraw/zinc/19/13/47/402191347.db2.gz MBKRVABQXCVBMV-HNNXBMFYSA-N 0 0 318.417 2.359 10 30 DEEERN CCC[C@@H](NC(=O)c1cc(C#N)cn1C)C(=O)OC(C)(C)C ZINC000154209848 402198630 /nfs/dbraw/zinc/19/86/30/402198630.db2.gz KMDIBMQFWGOYND-GFCCVEGCSA-N 0 0 305.378 2.137 10 30 DEEERN COc1ccc([C@H](NC(=O)Cn2ccnc2C#N)C(C)C)cc1 ZINC000124027448 402160270 /nfs/dbraw/zinc/16/02/70/402160270.db2.gz YNYOBRAKEYPKAV-QGZVFWFLSA-N 0 0 312.373 2.277 10 30 DEEERN C=CCCOCCNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000155451922 402257658 /nfs/dbraw/zinc/25/76/58/402257658.db2.gz XOBHQZXVUVEPQO-HUUCEWRRSA-N 0 0 317.385 2.270 10 30 DEEERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@@H](C#N)C2CC2)C1 ZINC000108842590 402262568 /nfs/dbraw/zinc/26/25/68/402262568.db2.gz NVTNDFOYFBZMGA-STQMWFEESA-N 0 0 307.394 2.052 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N(C)C)cn1 ZINC000068803161 402205969 /nfs/dbraw/zinc/20/59/69/402205969.db2.gz FRYVRCWKNPIHMH-LBPRGKRZSA-N 0 0 310.357 2.425 10 30 DEEERN CC[C@@H](CC#N)NC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 ZINC000156238610 402278715 /nfs/dbraw/zinc/27/87/15/402278715.db2.gz DGFJILIWLKYQLT-NSHDSACASA-N 0 0 309.391 2.212 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000157886989 402299320 /nfs/dbraw/zinc/29/93/20/402299320.db2.gz KZMUMGCKVFFQIU-HNNXBMFYSA-N 0 0 317.433 2.456 10 30 DEEERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)C#Cc3ccccc3)C2)n1 ZINC000176332485 402300538 /nfs/dbraw/zinc/30/05/38/402300538.db2.gz IURHDIAPNIIIRT-GOSISDBHSA-N 0 0 322.412 2.185 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)N[C@@H](C)Cn1cncn1 ZINC000158146297 402302373 /nfs/dbraw/zinc/30/23/73/402302373.db2.gz GAOSTZDZKWMCTB-LBPRGKRZSA-N 0 0 305.407 2.126 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC000185364701 402347027 /nfs/dbraw/zinc/34/70/27/402347027.db2.gz SISMNHLKDIBHDV-CYBMUJFWSA-N 0 0 309.431 2.450 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000185712697 402371015 /nfs/dbraw/zinc/37/10/15/402371015.db2.gz STTUBQYFEGEWRX-AWEZNQCLSA-N 0 0 315.373 2.113 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCCNC(=O)c1cccc(OC)c1 ZINC000185150325 402328603 /nfs/dbraw/zinc/32/86/03/402328603.db2.gz HAEIWVXHWABUQK-CYBMUJFWSA-N 0 0 304.390 2.144 10 30 DEEERN N#CC1(CS(=O)(=O)N2Cc3ccccc3C3(CC3)C2)CC1 ZINC000185996577 402395982 /nfs/dbraw/zinc/39/59/82/402395982.db2.gz TUWHMLBRHUNTRC-UHFFFAOYSA-N 0 0 302.399 2.167 10 30 DEEERN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C#N)C2CC2)cc1OC ZINC000161784673 402399161 /nfs/dbraw/zinc/39/91/61/402399161.db2.gz CRQDCHRZABQAEJ-NSHDSACASA-N 0 0 319.317 2.034 10 30 DEEERN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@H](C#N)C3CC3)c12 ZINC000161817898 402400315 /nfs/dbraw/zinc/40/03/15/402400315.db2.gz ANQDZYCXGKYLAW-CQSZACIVSA-N 0 0 309.373 2.186 10 30 DEEERN N#C[C@@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C1CC1 ZINC000161821942 402400503 /nfs/dbraw/zinc/40/05/03/402400503.db2.gz ZZECDMIRIUBQMO-BZNIZROVSA-N 0 0 313.382 2.034 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN2C[C@H](C(N)=O)CC[C@@H]2C)c1C ZINC000177596707 402418829 /nfs/dbraw/zinc/41/88/29/402418829.db2.gz NJPAODFPVJNLGH-SWLSCSKDSA-N 0 0 317.433 2.059 10 30 DEEERN C=CCn1c(SCC(=O)c2cc(C)n(CC)c2C)n[nH]c1=O ZINC000163466636 402450622 /nfs/dbraw/zinc/45/06/22/402450622.db2.gz PWVRLRBWIJASSK-UHFFFAOYSA-N 0 0 320.418 2.171 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000186461660 402432822 /nfs/dbraw/zinc/43/28/22/402432822.db2.gz ZQTBJFHHEIGZPJ-YPMHNXCESA-N 0 0 316.361 2.034 10 30 DEEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc(C#N)ccc1C ZINC000177810365 402438404 /nfs/dbraw/zinc/43/84/04/402438404.db2.gz AOHUITMOXYWPEE-ZDUSSCGKSA-N 0 0 310.361 2.423 10 30 DEEERN C[C@H](NC(=O)NCCCCC#N)c1cn(-c2ccccc2)nn1 ZINC000177971920 402447738 /nfs/dbraw/zinc/44/77/38/402447738.db2.gz AWOBWZFVTHSKLQ-ZDUSSCGKSA-N 0 0 312.377 2.321 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000185926868 402389904 /nfs/dbraw/zinc/38/99/04/402389904.db2.gz PKOSXXDZRIIEOK-QWRGUYRKSA-N 0 0 318.381 2.270 10 30 DEEERN CN1Cc2cc(NC(=O)NCCCCC#N)ccc2NC1=O ZINC000186691915 402456062 /nfs/dbraw/zinc/45/60/62/402456062.db2.gz TWROJECKVXXIBV-UHFFFAOYSA-N 0 0 301.350 2.479 10 30 DEEERN CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(C#N)cn2C)C12CCC2 ZINC000178112662 402461781 /nfs/dbraw/zinc/46/17/81/402461781.db2.gz HZOOZMVMIHBBGZ-CABCVRRESA-N 0 0 301.390 2.316 10 30 DEEERN CCOC(=O)CN(CC)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000186920754 402471045 /nfs/dbraw/zinc/47/10/45/402471045.db2.gz TVXVSUSIIISAQG-UHFFFAOYSA-N 0 0 300.358 2.001 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245709590 402481874 /nfs/dbraw/zinc/48/18/74/402481874.db2.gz SMNWKNTWMMGLAF-XFMPKHEZSA-N 0 0 302.374 2.398 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000169065012 402499979 /nfs/dbraw/zinc/49/99/79/402499979.db2.gz KWBFPSYDOGBQDE-OLZOCXBDSA-N 0 0 300.362 2.032 10 30 DEEERN C[C@@H](Sc1nnc(C(F)(F)F)s1)C(=O)N(C)CCC#N ZINC000187443247 402501401 /nfs/dbraw/zinc/50/14/01/402501401.db2.gz YUWSNYVWAKRKOP-ZCFIWIBFSA-N 0 0 324.353 2.410 10 30 DEEERN COC(=O)[C@H](NC[C@@H]1CCC(C)(C)O1)c1cccc(C#N)c1 ZINC000187649707 402507500 /nfs/dbraw/zinc/50/75/00/402507500.db2.gz VYLTUJQYRHCSTA-LSDHHAIUSA-N 0 0 302.374 2.320 10 30 DEEERN CC[C@H](O)CN(Cc1ccccc1)C(=O)c1cc(C#N)cn1C ZINC000178819027 402543387 /nfs/dbraw/zinc/54/33/87/402543387.db2.gz GVUXTEZUZOEUPW-INIZCTEOSA-N 0 0 311.385 2.310 10 30 DEEERN C[C@H]1OCC[C@@H]1S(=O)(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000190042393 402572813 /nfs/dbraw/zinc/57/28/13/402572813.db2.gz ZFWFNIMGBJMSGP-WBMJQRKESA-N 0 0 320.414 2.030 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000178596658 402515721 /nfs/dbraw/zinc/51/57/21/402515721.db2.gz PBQHEYSYWIOQRF-UHFFFAOYSA-N 0 0 322.303 2.234 10 30 DEEERN Cc1nc(-c2cccc(C#N)c2)nn1C[C@H](O)CC(F)(F)F ZINC000189398921 402536366 /nfs/dbraw/zinc/53/63/66/402536366.db2.gz LCKZCCSIKHYGLL-GFCCVEGCSA-N 0 0 310.279 2.439 10 30 DEEERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(C#N)s2)C1 ZINC000190150067 402579546 /nfs/dbraw/zinc/57/95/46/402579546.db2.gz XKLAFSPKJIJJSQ-MFKMUULPSA-N 0 0 304.375 2.273 10 30 DEEERN CC(C)c1nnc(Cn2cc(C#N)c(=O)c3ccccc32)n1C ZINC000171554610 402594094 /nfs/dbraw/zinc/59/40/94/402594094.db2.gz QMQGLBZJXLOJKR-UHFFFAOYSA-N 0 0 307.357 2.173 10 30 DEEERN CCCN(CC(=O)N(C)C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000179775606 402600405 /nfs/dbraw/zinc/60/04/05/402600405.db2.gz JGZDKJHPFJTKTQ-UHFFFAOYSA-N 0 0 313.401 2.182 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](C)C2CCCC2)c1 ZINC000172193243 402644605 /nfs/dbraw/zinc/64/46/05/402644605.db2.gz LSHWTCAOFYECJV-ZDUSSCGKSA-N 0 0 313.401 2.484 10 30 DEEERN N#Cc1cc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)ccc1F ZINC000172488141 402658326 /nfs/dbraw/zinc/65/83/26/402658326.db2.gz PYXWPJUQIHTBCY-CVEARBPZSA-N 0 0 311.316 2.477 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCOc1ccccc1C#N ZINC000191201915 402650310 /nfs/dbraw/zinc/65/03/10/402650310.db2.gz JQWOQGNRHHFQSG-VYDXJSESSA-N 0 0 314.385 2.211 10 30 DEEERN N#CC1(NC(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000172355432 402652184 /nfs/dbraw/zinc/65/21/84/402652184.db2.gz WEPIMZMTXOBVMR-UHFFFAOYSA-N 0 0 305.135 2.111 10 30 DEEERN N#CCCCCNC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000172400721 402654366 /nfs/dbraw/zinc/65/43/66/402654366.db2.gz ZSFSHTIIXYTWBV-UHFFFAOYSA-N 0 0 301.268 2.446 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1nnc2n1CCCC2 ZINC000173623907 402705518 /nfs/dbraw/zinc/70/55/18/402705518.db2.gz PKDWAMUUVQEGCV-ZIAGYGMSSA-N 0 0 319.453 2.078 10 30 DEEERN COC(C)(C)C[C@@H](C)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000173765655 402711758 /nfs/dbraw/zinc/71/17/58/402711758.db2.gz WDPDAKFEFKQVOG-CYBMUJFWSA-N 0 0 319.405 2.440 10 30 DEEERN CN(C[C@@H]1CCCOC1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000173792553 402712780 /nfs/dbraw/zinc/71/27/80/402712780.db2.gz CDPXKVLUBIJPBV-HNNXBMFYSA-N 0 0 317.389 2.005 10 30 DEEERN Cc1cc(C)n([C@H](C)C(=O)NCCOc2ccc(C#N)cc2)n1 ZINC000173885036 402716875 /nfs/dbraw/zinc/71/68/75/402716875.db2.gz AZQGFTMHODWLBT-CQSZACIVSA-N 0 0 312.373 2.128 10 30 DEEERN COc1cccc(CC(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000173882922 402717028 /nfs/dbraw/zinc/71/70/28/402717028.db2.gz CYESTOGJILTSSI-UHFFFAOYSA-N 0 0 310.353 2.305 10 30 DEEERN Cc1csc([C@@H]2CCCN(C(=O)C3(C#N)CCOCC3)C2)n1 ZINC000173411987 402696671 /nfs/dbraw/zinc/69/66/71/402696671.db2.gz WUWJMRFPMPAGEX-CYBMUJFWSA-N 0 0 319.430 2.478 10 30 DEEERN N#Cc1nn(-c2ccc(F)cc2)nc1N1CCCC[C@H]1CCO ZINC000256045913 402699510 /nfs/dbraw/zinc/69/95/10/402699510.db2.gz BQFFGQYFKOFBTE-ZDUSSCGKSA-N 0 0 315.352 2.019 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc2c(cc1OCC)C[C@H](C)O2 ZINC000183427351 402766232 /nfs/dbraw/zinc/76/62/32/402766232.db2.gz AZMPZFLPPRSLRG-WCQYABFASA-N 0 0 320.389 2.467 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000183759241 402795367 /nfs/dbraw/zinc/79/53/67/402795367.db2.gz CLNBROAFIKKLDT-QWHCGFSZSA-N 0 0 316.323 2.396 10 30 DEEERN C[C@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)CC1(C#N)CC1 ZINC000183874532 402803174 /nfs/dbraw/zinc/80/31/74/402803174.db2.gz IMPXGPBPHWJLLG-DZGCQCFKSA-N 0 0 320.414 2.082 10 30 DEEERN COCCOc1ccc(C#N)cc1NC(=O)[C@H]1CCOC[C@@H]1C ZINC000194856820 402818801 /nfs/dbraw/zinc/81/88/01/402818801.db2.gz MGBVSRPCCVNBKX-JSGCOSHPSA-N 0 0 318.373 2.195 10 30 DEEERN COc1ccc(COc2c(CO)cc(F)cc2CO)cc1C#N ZINC000184189036 402825269 /nfs/dbraw/zinc/82/52/69/402825269.db2.gz LRRXCMMBGCKTGF-UHFFFAOYSA-N 0 0 317.316 2.270 10 30 DEEERN Cc1csc(CCCCNC(=O)c2cc(C#N)cn2C)n1 ZINC000175956101 402844534 /nfs/dbraw/zinc/84/45/34/402844534.db2.gz KDKHETOGGNDDQV-UHFFFAOYSA-N 0 0 302.403 2.414 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000183666718 402786780 /nfs/dbraw/zinc/78/67/80/402786780.db2.gz ISHDSCOIGRZVNR-ZIAGYGMSSA-N 0 0 323.824 2.155 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(OCC#N)cc1 ZINC000278816636 402874432 /nfs/dbraw/zinc/87/44/32/402874432.db2.gz PBPDXRXBCVKUJU-HZPDHXFCSA-N 0 0 300.358 2.186 10 30 DEEERN C=C1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccccc2)CC1 ZINC000264490356 402883519 /nfs/dbraw/zinc/88/35/19/402883519.db2.gz NUVJMWAULXZVIM-OAHLLOKOSA-N 0 0 316.426 2.380 10 30 DEEERN C=CC[C@@H](CO)NC(=O)COc1c(Cl)cccc1Cl ZINC000273361012 402997750 /nfs/dbraw/zinc/99/77/50/402997750.db2.gz AGYZXJIITUMRTN-VIFPVBQESA-N 0 0 304.173 2.425 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)[C@H](OC)c1ccccc1F ZINC000273423131 403003597 /nfs/dbraw/zinc/00/35/97/403003597.db2.gz SDHZGMPQXCZKJY-ZOWXZIJZSA-N 0 0 310.369 2.138 10 30 DEEERN C=CC[C@H](CO)NC(=O)COc1cccc(C(F)(F)F)c1 ZINC000273467809 403007190 /nfs/dbraw/zinc/00/71/90/403007190.db2.gz JEKHQNGGZWTHSI-LLVKDONJSA-N 0 0 303.280 2.137 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)Cc1nc([C@H](C)OC)no1 ZINC000267083812 403013899 /nfs/dbraw/zinc/01/38/99/403013899.db2.gz JYQXROYMZIGCSU-OLZOCXBDSA-N 0 0 324.425 2.022 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C1(c2ccccc2C)CCOCC1 ZINC000273554528 403014880 /nfs/dbraw/zinc/01/48/80/403014880.db2.gz GRGOJVBTUBOUNR-HNNXBMFYSA-N 0 0 303.402 2.096 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(C)sc1Br ZINC000273574771 403016571 /nfs/dbraw/zinc/01/65/71/403016571.db2.gz LPUWXAUPUZJAFP-QMMMGPOBSA-N 0 0 304.209 2.486 10 30 DEEERN C#CCN(C(=O)NCc1c(OC)cc(OC)cc1OC)C1CC1 ZINC000274182164 403033019 /nfs/dbraw/zinc/03/30/19/403033019.db2.gz YFVUHSWCLHRDCA-UHFFFAOYSA-N 0 0 318.373 2.020 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CCC=C(Br)C1 ZINC000281666872 403079847 /nfs/dbraw/zinc/07/98/47/403079847.db2.gz PFLDBFKPJYWKLU-UHFFFAOYSA-N 0 0 301.228 2.396 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC000281944867 403107079 /nfs/dbraw/zinc/10/70/79/403107079.db2.gz RUOWQVQQFVCGFU-SNVBAGLBSA-N 0 0 301.312 2.102 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269310084 403129858 /nfs/dbraw/zinc/12/98/58/403129858.db2.gz YISBTJPHCCJCOF-UHFFFAOYSA-N 0 0 304.224 2.491 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N(C)CCCC(=O)NC ZINC000282725582 403158928 /nfs/dbraw/zinc/15/89/28/403158928.db2.gz WRLPNFAPNNFXHL-UHFFFAOYSA-N 0 0 307.442 2.015 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCN(Cc2cccc(C)c2)CC1 ZINC000277542768 403228887 /nfs/dbraw/zinc/22/88/87/403228887.db2.gz SFDYOWVYHNVGMT-UHFFFAOYSA-N 0 0 308.425 2.302 10 30 DEEERN C#C[C@H](C)NC(=O)N[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000276649345 403192458 /nfs/dbraw/zinc/19/24/58/403192458.db2.gz PTDJNQLUBHBJDX-GJZGRUSLSA-N 0 0 313.401 2.038 10 30 DEEERN C[C@H]1OCCN(C(=O)CC(C)(C)C#N)[C@@H]1c1nc(C2CC2)no1 ZINC000284959443 403274214 /nfs/dbraw/zinc/27/42/14/403274214.db2.gz JNIHDCKCOOWIOW-MFKMUULPSA-N 0 0 318.377 2.175 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000285634074 403344491 /nfs/dbraw/zinc/34/44/91/403344491.db2.gz KYRREITYADASGA-HLLBOEOZSA-N 0 0 300.402 2.440 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000285634077 403344829 /nfs/dbraw/zinc/34/48/29/403344829.db2.gz KYRREITYADASGA-UXLLHSPISA-N 0 0 300.402 2.440 10 30 DEEERN C=C[C@H](CC(=O)N[C@H](C)C1(S(C)(=O)=O)CC1)c1ccccc1 ZINC000342699954 403313865 /nfs/dbraw/zinc/31/38/65/403313865.db2.gz PTKQZQYBJYBONP-ZIAGYGMSSA-N 0 0 321.442 2.428 10 30 DEEERN C=CCOc1ccc(CNC(=O)NCC[C@@H](C)[S@@](C)=O)cc1 ZINC000345611859 403404537 /nfs/dbraw/zinc/40/45/37/403404537.db2.gz YROROJZCLADOPO-MCMMXHMISA-N 0 0 324.446 2.208 10 30 DEEERN CC(C)(C)[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)C[C@@H]1O ZINC000286136440 403456851 /nfs/dbraw/zinc/45/68/51/403456851.db2.gz GDBPPKFFAIIIGP-JSGCOSHPSA-N 0 0 318.377 2.282 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1nnc(OC)s1 ZINC000287005515 403551901 /nfs/dbraw/zinc/55/19/01/403551901.db2.gz DHQLBRFEFGYHEZ-LBPRGKRZSA-N 0 0 316.386 2.303 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(C)c2nccn2c1 ZINC000293549847 403501571 /nfs/dbraw/zinc/50/15/71/403501571.db2.gz YTLJERUIGRFCBS-UHFFFAOYSA-N 0 0 300.362 2.006 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000346414990 403588974 /nfs/dbraw/zinc/58/89/74/403588974.db2.gz AGFLQPXFNMTOMM-BZUAXINKSA-N 0 0 304.390 2.000 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000346251569 403581093 /nfs/dbraw/zinc/58/10/93/403581093.db2.gz YJXIJYRVXQASEW-HOCLYGCPSA-N 0 0 314.385 2.234 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(-n2ccc(C)n2)cc1 ZINC000347023779 403611744 /nfs/dbraw/zinc/61/17/44/403611744.db2.gz RSJATVJLFRDFSF-CQSZACIVSA-N 0 0 300.362 2.239 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000287654602 403642988 /nfs/dbraw/zinc/64/29/88/403642988.db2.gz JQGNXAQRDYPNNF-LRTDBIEQSA-N 0 0 301.411 2.264 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000287868388 403682873 /nfs/dbraw/zinc/68/28/73/403682873.db2.gz DOYLLRXMHLEXOQ-STQMWFEESA-N 0 0 322.405 2.309 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@@H](C)Oc1cccc(C)c1 ZINC000288062121 403717610 /nfs/dbraw/zinc/71/76/10/403717610.db2.gz NNYKISCNDLGGJP-OAHLLOKOSA-N 0 0 318.417 2.303 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000288164438 403737388 /nfs/dbraw/zinc/73/73/88/403737388.db2.gz MFXMZYWTCLIAEC-SFHVURJKSA-N 0 0 311.381 2.258 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@H](C)COc1ccccc1OC ZINC000288679704 403761594 /nfs/dbraw/zinc/76/15/94/403761594.db2.gz YUDUSCNCIKWFRM-OAHLLOKOSA-N 0 0 313.397 2.489 10 30 DEEERN C=CC[C@H]1N(C(=O)C(=O)Nc2ccnnc2C)CCCC1(C)C ZINC000411478055 403868576 /nfs/dbraw/zinc/86/85/76/403868576.db2.gz XMDODKTUFIGFKO-CQSZACIVSA-N 0 0 316.405 2.317 10 30 DEEERN C=CCC(C)(C)CNC(=O)C(=O)Nc1cnc(C)nc1C1CC1 ZINC000411553622 403891898 /nfs/dbraw/zinc/89/18/98/403891898.db2.gz DIHCUUNZUJIUIW-UHFFFAOYSA-N 0 0 316.405 2.319 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc(C(=O)OCC)c(C)o1 ZINC000362547523 403963915 /nfs/dbraw/zinc/96/39/15/403963915.db2.gz JYGDKTJFGONOOW-JQWIXIFHSA-N 0 0 308.334 2.079 10 30 DEEERN C=C[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000362585515 403967210 /nfs/dbraw/zinc/96/72/10/403967210.db2.gz CVPSLLHVTYNFEV-NWDGAFQWSA-N 0 0 304.415 2.452 10 30 DEEERN C=C[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000362587779 403969116 /nfs/dbraw/zinc/96/91/16/403969116.db2.gz MZNSXJPXBQGEOJ-CYBMUJFWSA-N 0 0 324.446 2.169 10 30 DEEERN C=CCOCC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000354840359 404046937 /nfs/dbraw/zinc/04/69/37/404046937.db2.gz MAGXXMMPRLFDMW-UHFFFAOYSA-N 0 0 304.321 2.342 10 30 DEEERN C=CCn1c(N2CCC[C@@H](n3cncn3)C2)nnc1C(C)(C)C ZINC000290134692 404055713 /nfs/dbraw/zinc/05/57/13/404055713.db2.gz GXFMHPPJVRDPCW-CYBMUJFWSA-N 0 0 315.425 2.195 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccc(F)cc1CSC ZINC000344327248 404061437 /nfs/dbraw/zinc/06/14/37/404061437.db2.gz OWGWSJSSGKOZRK-AWEZNQCLSA-N 0 0 312.410 2.425 10 30 DEEERN C=CCOc1ccc(CNS(=O)(=O)c2ccccc2N)cc1 ZINC000351996015 404064146 /nfs/dbraw/zinc/06/41/46/404064146.db2.gz SEZFZXNOJBDQQF-UHFFFAOYSA-N 0 0 318.398 2.312 10 30 DEEERN Cc1c([C@H]2OCC[C@@H]2C(=O)NCc2cscn2)cnn1C ZINC000328609916 404113781 /nfs/dbraw/zinc/11/37/81/404113781.db2.gz GDEZADWRILNLMA-AAEUAGOBSA-N 0 0 306.391 2.419 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)CC[C@@H]3CCCO3)C2)n1 ZINC000328612937 404113938 /nfs/dbraw/zinc/11/39/38/404113938.db2.gz QDOYJHKEBOSPDM-KGLIPLIRSA-N 0 0 320.393 2.224 10 30 DEEERN CO[C@@H](C)CCC(=O)N1CC[C@H](n2ccc(NC(C)=O)n2)C1 ZINC000328612741 404114018 /nfs/dbraw/zinc/11/40/18/404114018.db2.gz PQBAAGONFWHJCP-AAEUAGOBSA-N 0 0 308.382 2.080 10 30 DEEERN C[C@@H](C(=O)N[C@H]1CCO[C@@H]1c1nccn1C)[NH+]1CCCCCC1 ZINC000328615824 404115405 /nfs/dbraw/zinc/11/54/05/404115405.db2.gz BBCGSRUDSQJANB-KKUMJFAQSA-N 0 0 320.437 2.471 10 30 DEEERN O=C(CCc1ccoc1)N[C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000328637530 404119854 /nfs/dbraw/zinc/11/98/54/404119854.db2.gz ORIWHEWCNWWTLO-ZDUSSCGKSA-N 0 0 316.361 2.333 10 30 DEEERN Cc1nscc1C(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000328654929 404125300 /nfs/dbraw/zinc/12/53/00/404125300.db2.gz XVRXLXHPYKJETI-QWRGUYRKSA-N 0 0 321.381 2.163 10 30 DEEERN C[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)[C@H](C)N1CCOCC1 ZINC000328667377 404127439 /nfs/dbraw/zinc/12/74/39/404127439.db2.gz KUUCGNNQJIZBMP-IHRRRGAJSA-N 0 0 311.426 2.341 10 30 DEEERN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000328977630 404187687 /nfs/dbraw/zinc/18/76/87/404187687.db2.gz QNLOKXVVWPFCLM-RJZRQDKASA-N 0 0 307.394 2.148 10 30 DEEERN O=C(N[C@H]1COC[C@H]1n1ccnn1)C1CCC(F)(F)CC1 ZINC000329130720 404240237 /nfs/dbraw/zinc/24/02/37/404240237.db2.gz ONXJUDJNRUIPDG-WDEREUQCSA-N 0 0 300.309 2.000 10 30 DEEERN O=C(N[C@H]1COC[C@H]1n1ccnn1)[C@@H]1CCCc2sccc21 ZINC000329203802 404264659 /nfs/dbraw/zinc/26/46/59/404264659.db2.gz WMPYBVBVKROCOC-FRRDWIJNSA-N 0 0 318.402 2.356 10 30 DEEERN C=C(Cl)CNC(=O)N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000364002599 404280896 /nfs/dbraw/zinc/28/08/96/404280896.db2.gz NIIAAFUEHHWZIH-LBPRGKRZSA-N 0 0 313.785 2.344 10 30 DEEERN CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CCC[C@H]2Cn2ccnc2)C1(C)C ZINC000329258746 404281485 /nfs/dbraw/zinc/28/14/85/404281485.db2.gz FHVAUYFCOUAHHX-CBBWQLFWSA-N 0 0 320.437 2.321 10 30 DEEERN C[C@H](NC(=O)[C@H]1CCCO1)c1ncc(Br)cn1 ZINC000329094999 404228543 /nfs/dbraw/zinc/22/85/43/404228543.db2.gz BEOSSIYFELYSBG-IONNQARKSA-N 0 0 300.156 2.436 10 30 DEEERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC000329095874 404228648 /nfs/dbraw/zinc/22/86/48/404228648.db2.gz XZGSTIBAPLWOKL-ZSLBOAEBSA-N 0 0 309.410 2.494 10 30 DEEERN C=CCOc1ccc(C(=O)NCC[C@H]2CCOC2)cc1OC ZINC000344713646 404326037 /nfs/dbraw/zinc/32/60/37/404326037.db2.gz DOOYDPDFQRHHSH-ZDUSSCGKSA-N 0 0 305.374 2.416 10 30 DEEERN C=CCSCCNC(=O)C(=O)N[C@H](C)CCc1ccc(C)o1 ZINC000355304079 404321458 /nfs/dbraw/zinc/32/14/58/404321458.db2.gz XJOIZOWRTWVQRK-GFCCVEGCSA-N 0 0 324.446 2.061 10 30 DEEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)NCC1(C)COC1)C2 ZINC000329563854 404378258 /nfs/dbraw/zinc/37/82/58/404378258.db2.gz SBTONAQBBCJMLA-LBPRGKRZSA-N 0 0 320.437 2.036 10 30 DEEERN CCc1nc(CNC(=O)[C@@H]2CCCCS2(=O)=O)cs1 ZINC000329568369 404379350 /nfs/dbraw/zinc/37/93/50/404379350.db2.gz IAWOLFSQLRXKHA-JTQLQIEISA-N 0 0 302.421 2.129 10 30 DEEERN CC(=O)N1CCC[C@H]1C(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000291392036 404383238 /nfs/dbraw/zinc/38/32/38/404383238.db2.gz SSOKOPXXSPXDRA-FUHWJXTLSA-N 0 0 313.401 2.029 10 30 DEEERN C=CCN(c1nnc([C@H]2COCCO2)n1CC(C)C)C1CC1 ZINC000291483602 404397770 /nfs/dbraw/zinc/39/77/70/404397770.db2.gz HUKFJIGFZGKALI-CQSZACIVSA-N 0 0 306.410 2.177 10 30 DEEERN C=CC[C@H](C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccccc1 ZINC000364493023 404419612 /nfs/dbraw/zinc/41/96/12/404419612.db2.gz XOHWEHWBYQGINN-PQEBFOHHSA-N 0 0 312.413 2.472 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000342173970 404419728 /nfs/dbraw/zinc/41/97/28/404419728.db2.gz CUADPFPTQSJOAH-WWGRRREGSA-N 0 0 316.401 2.196 10 30 DEEERN C=CCn1c([C@@H](C)CC)nnc1N(CCOC)[C@H]1CCOC1 ZINC000350650919 404433211 /nfs/dbraw/zinc/43/32/11/404433211.db2.gz ATHAKAYYCQVFBL-KBPBESRZSA-N 0 0 308.426 2.219 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000370984265 404436341 /nfs/dbraw/zinc/43/63/41/404436341.db2.gz GDCXSYJJEBRCOQ-ZDUSSCGKSA-N 0 0 317.414 2.237 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@H]1C(C)(C)O)CCC2 ZINC000329805380 404456297 /nfs/dbraw/zinc/45/62/97/404456297.db2.gz AOPJXULENRETGH-UONOGXRCSA-N 0 0 320.437 2.218 10 30 DEEERN C=CCn1c(N(CCOC)[C@@H]2CCOC2)nnc1C(C)(C)C ZINC000350742272 404457784 /nfs/dbraw/zinc/45/77/84/404457784.db2.gz VLSAYTPWGDXXPB-CYBMUJFWSA-N 0 0 308.426 2.003 10 30 DEEERN Cc1cc(C(=O)Nc2cc([C@H]3CCCOC3)nn2C)nc(C)n1 ZINC000329821528 404462301 /nfs/dbraw/zinc/46/23/01/404462301.db2.gz AOFPIGJPDVQCGC-LBPRGKRZSA-N 0 0 315.377 2.357 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)cc1 ZINC000352737303 404584867 /nfs/dbraw/zinc/58/48/67/404584867.db2.gz KHTXNQQZWRELEY-HOCLYGCPSA-N 0 0 321.417 2.139 10 30 DEEERN C#Cc1ccc(CNC(=O)NC2CCC3(CC2)OCCO3)cc1 ZINC000297667967 404585798 /nfs/dbraw/zinc/58/57/98/404585798.db2.gz VLMUHYHKJNVYFJ-UHFFFAOYSA-N 0 0 314.385 2.153 10 30 DEEERN Cc1cccc2c1OCC[C@H]2NC(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000330057906 404539897 /nfs/dbraw/zinc/53/98/97/404539897.db2.gz YFGHAZYPBWWAFK-VNHYZAJKSA-N 0 0 304.390 2.293 10 30 DEEERN C#CCOc1ccc(CNC(=O)N[C@H]2CCOC2(C)C)cc1 ZINC000297641700 404576918 /nfs/dbraw/zinc/57/69/18/404576918.db2.gz CPJLGQDNXBNYFC-HNNXBMFYSA-N 0 0 302.374 2.065 10 30 DEEERN C=CCn1c(N(C[C@H]2CCC(=O)N2)C(C)C)nnc1C(C)(C)C ZINC000414518588 404665209 /nfs/dbraw/zinc/66/52/09/404665209.db2.gz VMJVNMJWBGSXEB-CYBMUJFWSA-N 0 0 319.453 2.255 10 30 DEEERN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)N[C@@H]2CCO[C@@H]2C)C1 ZINC000330270306 404608687 /nfs/dbraw/zinc/60/86/87/404608687.db2.gz TXRRERLQPHHBEI-HZSPNIEDSA-N 0 0 311.426 2.402 10 30 DEEERN Cc1nn(C)c(C)c1[C@H]1[C@H](Nc2ccc(C#N)cc2)CC(=O)N1C ZINC000330313526 404623480 /nfs/dbraw/zinc/62/34/80/404623480.db2.gz XFNIQSUNJQOMPU-CRAIPNDOSA-N 0 0 323.400 2.293 10 30 DEEERN C=CC[C@H](C)NC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000342511163 404624975 /nfs/dbraw/zinc/62/49/75/404624975.db2.gz OOWNEDITURUCNI-DZGCQCFKSA-N 0 0 301.390 2.446 10 30 DEEERN C=CCn1c(CC2CC2)nnc1N1CCO[C@@H](C2CCC2)C1 ZINC000414534719 404669326 /nfs/dbraw/zinc/66/93/26/404669326.db2.gz XEKSYPSSOHRVOE-OAHLLOKOSA-N 0 0 302.422 2.422 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)CN1CC(=O)NC1=O ZINC000356845583 404706486 /nfs/dbraw/zinc/70/64/86/404706486.db2.gz XSVWWJBCGLNYTG-UHFFFAOYSA-N 0 0 315.373 2.029 10 30 DEEERN C=CCN(C(=O)c1ocnc1C)c1nc(C(=O)OCC)cs1 ZINC000356829777 404702407 /nfs/dbraw/zinc/70/24/07/404702407.db2.gz RFTKMDYLSVFGQE-UHFFFAOYSA-N 0 0 321.358 2.449 10 30 DEEERN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]2C)c1 ZINC000357320272 404733035 /nfs/dbraw/zinc/73/30/35/404733035.db2.gz YCKPCJIYSSJOGH-SWLSCSKDSA-N 0 0 302.374 2.495 10 30 DEEERN CC(=O)c1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1C ZINC000366056734 404749014 /nfs/dbraw/zinc/74/90/14/404749014.db2.gz RTACMZCMLQORHA-MRXNPFEDSA-N 0 0 311.385 2.010 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(F)c(N2C(=O)CNC2=O)c1 ZINC000358203380 404756425 /nfs/dbraw/zinc/75/64/25/404756425.db2.gz RDRXEHBBEVBCBT-SNVBAGLBSA-N 0 0 319.336 2.423 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](CO)C1CC1 ZINC000358346046 404760793 /nfs/dbraw/zinc/76/07/93/404760793.db2.gz YCVXXMYQRZQRJG-ZDUSSCGKSA-N 0 0 305.374 2.008 10 30 DEEERN C=CCN(CC=C)C(=O)CSc1nnc(C2CCC2)n1C ZINC000358857376 404777875 /nfs/dbraw/zinc/77/78/75/404777875.db2.gz SVFDDQLMZAACRT-UHFFFAOYSA-N 0 0 306.435 2.375 10 30 DEEERN C=C(C)Cn1c(C2CCC2)nnc1N(CC)Cc1cn(C)nn1 ZINC000358962204 404780731 /nfs/dbraw/zinc/78/07/31/404780731.db2.gz XHFXCOLNKYWKRE-UHFFFAOYSA-N 0 0 315.425 2.277 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCC1(CCOC)CCCC1 ZINC000360779999 404837298 /nfs/dbraw/zinc/83/72/98/404837298.db2.gz ITHDOURNVWFYRL-UHFFFAOYSA-N 0 0 310.438 2.124 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N[C@@H](CC(=O)OCC)c1ccccc1 ZINC000353342407 404807193 /nfs/dbraw/zinc/80/71/93/404807193.db2.gz DTMSTRMZWCYTHX-WMLDXEAASA-N 0 0 305.374 2.124 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000377228829 404834885 /nfs/dbraw/zinc/83/48/85/404834885.db2.gz NWYSBUFBRYJPNW-OAHLLOKOSA-N 0 0 322.453 2.274 10 30 DEEERN C=CCOc1ccccc1CNC(=O)NC[C@@H](CO)C1CC1 ZINC000358725016 404773404 /nfs/dbraw/zinc/77/34/04/404773404.db2.gz POEBUSFFKWKSDY-HNNXBMFYSA-N 0 0 304.390 2.069 10 30 DEEERN C=CC[C@@H](CC)NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000366979697 404887215 /nfs/dbraw/zinc/88/72/15/404887215.db2.gz GQNKRRFYNJVEOS-CYBMUJFWSA-N 0 0 321.421 2.054 10 30 DEEERN COc1c(C)cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1C ZINC000367380752 405032223 /nfs/dbraw/zinc/03/22/23/405032223.db2.gz VNBLVSJOZGIRHP-INIZCTEOSA-N 0 0 313.401 2.124 10 30 DEEERN Cc1cccc(-n2cc(C(=O)Nc3cc(C#N)ccn3)nn2)c1 ZINC000435990011 405034423 /nfs/dbraw/zinc/03/44/23/405034423.db2.gz BEHDISHAUWYBHZ-UHFFFAOYSA-N 0 0 304.313 2.095 10 30 DEEERN C=CCN(CC(=O)N1c2ccccc2NC(=O)C1(C)C)C1CC1 ZINC000367390386 405034965 /nfs/dbraw/zinc/03/49/65/405034965.db2.gz OSRKVXQNFMADMH-UHFFFAOYSA-N 0 0 313.401 2.401 10 30 DEEERN COc1cccc(C2(CNC(=O)c3ccc(C#N)n3C)CC2)c1 ZINC000451811778 405049105 /nfs/dbraw/zinc/04/91/05/405049105.db2.gz NWFJLTMIDJJBTF-UHFFFAOYSA-N 0 0 309.369 2.367 10 30 DEEERN Cc1cc(C)c(C#N)c(N2CCC[C@@H](C(=O)N3CCCC3)C2)n1 ZINC000408123376 405116213 /nfs/dbraw/zinc/11/62/13/405116213.db2.gz GFCHCCJEOKXBMS-OAHLLOKOSA-N 0 0 312.417 2.409 10 30 DEEERN C=CCC1(C(=O)NC[C@H](CC(C)C)C(=O)OC)CCOCC1 ZINC000424677928 405147039 /nfs/dbraw/zinc/14/70/39/405147039.db2.gz AXIMZTCYNRDXSS-AWEZNQCLSA-N 0 0 311.422 2.311 10 30 DEEERN C#CCCCS(=O)(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000367782526 405152366 /nfs/dbraw/zinc/15/23/66/405152366.db2.gz PCNSVEAYFWPKGK-AWEZNQCLSA-N 0 0 317.414 2.266 10 30 DEEERN C=CCCCN1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000367866553 405177984 /nfs/dbraw/zinc/17/79/84/405177984.db2.gz SBRPCVFHNFBQHK-CABCVRRESA-N 0 0 300.402 2.462 10 30 DEEERN C=CCC1(C(=O)NC[C@H](CCC)C(=O)OCC)CCOCC1 ZINC000424845107 405194435 /nfs/dbraw/zinc/19/44/35/405194435.db2.gz DALLRPLGKKRHLT-AWEZNQCLSA-N 0 0 311.422 2.455 10 30 DEEERN C=CCC1(C(=O)N2CC(C(=O)OC(C)(C)C)C2)CCOCC1 ZINC000424861327 405198653 /nfs/dbraw/zinc/19/86/53/405198653.db2.gz GEKCFWVSQFESTJ-UHFFFAOYSA-N 0 0 309.406 2.159 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1[nH]c(C)c(C(C)=O)c1CC ZINC000424931084 405214325 /nfs/dbraw/zinc/21/43/25/405214325.db2.gz IRNSVKDSHQOLJM-JSGCOSHPSA-N 0 0 304.390 2.409 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000424932895 405215198 /nfs/dbraw/zinc/21/51/98/405215198.db2.gz OSZCFYFQVFOYEQ-HZMBPMFUSA-N 0 0 315.329 2.397 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NCc1cc(OC)c(O)c(OC)c1 ZINC000438150131 405235147 /nfs/dbraw/zinc/23/51/47/405235147.db2.gz IKYZFLPMWFNEII-QGZVFWFLSA-N 0 0 323.389 2.254 10 30 DEEERN CO[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C[C@H]1C ZINC000452832818 405249453 /nfs/dbraw/zinc/24/94/53/405249453.db2.gz KRXAFSJSFGUAPP-PBFPGSCMSA-N 0 0 324.421 2.131 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1c(F)cc(C)cc1F ZINC000425177172 405254505 /nfs/dbraw/zinc/25/45/05/405254505.db2.gz DZBZGJAQCGQWPW-GWCFXTLKSA-N 0 0 317.357 2.143 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H](C(C)C)C1 ZINC000425879619 405326339 /nfs/dbraw/zinc/32/63/39/405326339.db2.gz JAHDPEYHXXISFD-UGUYLWEFSA-N 0 0 322.449 2.025 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1(CC)CCCCC1 ZINC000425887514 405326542 /nfs/dbraw/zinc/32/65/42/405326542.db2.gz KHBCRDQJUYMLBA-GJZGRUSLSA-N 0 0 322.449 2.170 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1(C)CCCCCC1 ZINC000425886881 405326635 /nfs/dbraw/zinc/32/66/35/405326635.db2.gz NFWSLRVUBWENCF-GJZGRUSLSA-N 0 0 322.449 2.170 10 30 DEEERN C=C(C)Cn1c(N(C)C[C@H](C)C#N)nnc1[C@]1(C)CCCO1 ZINC000453464745 405292258 /nfs/dbraw/zinc/29/22/58/405292258.db2.gz LKNAPGHJWXIZTD-CJNGLKHVSA-N 0 0 303.410 2.476 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2ccccc2)CC1 ZINC000425589359 405305195 /nfs/dbraw/zinc/30/51/95/405305195.db2.gz TYDZQCHWQXUTPE-RDJZCZTQSA-N 0 0 315.417 2.109 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCN(C)c1ccccc1 ZINC000425591359 405305347 /nfs/dbraw/zinc/30/53/47/405305347.db2.gz VTBLKNFPGJAOGZ-HOCLYGCPSA-N 0 0 303.406 2.013 10 30 DEEERN Cc1ccccc1N1CCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000448578526 405422448 /nfs/dbraw/zinc/42/24/48/405422448.db2.gz OJUSRSZIKJQRFO-UHFFFAOYSA-N 0 0 308.385 2.168 10 30 DEEERN C[C@H](NC(=O)c1ccc(C#N)n1C)c1ccc2c(c1)CCC(=O)N2 ZINC000448723046 405441507 /nfs/dbraw/zinc/44/15/07/405441507.db2.gz SAOTVFODMSDZDU-NSHDSACASA-N 0 0 322.368 2.272 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000448727130 405442137 /nfs/dbraw/zinc/44/21/37/405442137.db2.gz VPMUJEOSHPPCTO-UHFFFAOYSA-N 0 0 323.400 2.212 10 30 DEEERN COc1c(C)cnc(CN(C)C(=O)c2ccc(C#N)n2C)c1C ZINC000448823270 405452217 /nfs/dbraw/zinc/45/22/17/405452217.db2.gz MJNUYMYJPHHDIF-UHFFFAOYSA-N 0 0 312.373 2.189 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(Br)cnc1C ZINC000455818957 405453885 /nfs/dbraw/zinc/45/38/85/405453885.db2.gz IBPPLYAYJQCCGP-JTQLQIEISA-N 0 0 314.183 2.211 10 30 DEEERN C=CCOc1ccc(CC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000448964491 405476615 /nfs/dbraw/zinc/47/66/15/405476615.db2.gz VPEHBKKCQMEGFZ-KRWDZBQOSA-N 0 0 314.429 2.489 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000456772376 405559581 /nfs/dbraw/zinc/55/95/81/405559581.db2.gz WRMUGAJPFLKYMU-STQMWFEESA-N 0 0 305.422 2.081 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000633283586 405548240 /nfs/dbraw/zinc/54/82/40/405548240.db2.gz OWOXCWIUKKDDLE-QKPAOTATSA-N 0 0 308.422 2.367 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](O)C(C)(C)CC ZINC000635918443 405604102 /nfs/dbraw/zinc/60/41/02/405604102.db2.gz BPYFNKLHCGQIQZ-OAHLLOKOSA-N 0 0 309.406 2.474 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCC(NC(=O)NC)CC1 ZINC000633411166 405627972 /nfs/dbraw/zinc/62/79/72/405627972.db2.gz ZHYURDHSJHMTRC-UHFFFAOYSA-N 0 0 310.442 2.082 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H](c2cccnc2)C1 ZINC000633532592 405700966 /nfs/dbraw/zinc/70/09/66/405700966.db2.gz ATPWDSHEYQAESX-IRXDYDNUSA-N 0 0 315.417 2.259 10 30 DEEERN C=CCOc1cccc(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)c1 ZINC000449726282 405713222 /nfs/dbraw/zinc/71/32/22/405713222.db2.gz XBJRDUPJBSTQIF-IAGOWNOFSA-N 0 0 321.442 2.403 10 30 DEEERN C=C(CC)CNC(=O)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000459099523 405745376 /nfs/dbraw/zinc/74/53/76/405745376.db2.gz RCQIHEMJRHPDPS-NVXWUHKLSA-N 0 0 306.381 2.462 10 30 DEEERN C=C(C)COc1cccc(NC(=O)NC[C@H](O)[C@@H]2CCCO2)c1 ZINC000528966668 405745445 /nfs/dbraw/zinc/74/54/45/405745445.db2.gz MHSUXCITBJIIGP-HOTGVXAUSA-N 0 0 320.389 2.303 10 30 DEEERN C=CCCOCC(=O)N1CCC(Cc2nc(C(C)C)n[nH]2)CC1 ZINC000636116736 405754294 /nfs/dbraw/zinc/75/42/94/405754294.db2.gz XXDNJLZDRYGZJV-UHFFFAOYSA-N 0 0 320.437 2.302 10 30 DEEERN C=CC[C@H]1CCCN(C(=O)c2cccc3c2NC(=O)CO3)C1 ZINC000636170531 405789691 /nfs/dbraw/zinc/78/96/91/405789691.db2.gz BARKYIRHXOJSIB-LBPRGKRZSA-N 0 0 300.358 2.446 10 30 DEEERN C[C@H](NC(=O)c1ccc(C#N)n1C)c1ccc([S@](C)=O)cc1 ZINC000450242150 405795551 /nfs/dbraw/zinc/79/55/51/405795551.db2.gz KTHUZPXQZYFFIQ-SAHAZLINSA-N 0 0 315.398 2.125 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCC[C@H](n2ccnn2)CC1)OCC ZINC000636191207 405802814 /nfs/dbraw/zinc/80/28/14/405802814.db2.gz YCPIRCFYDSTMOB-GJZGRUSLSA-N 0 0 306.410 2.203 10 30 DEEERN C=CCC1(C(=O)N2CCN([C@@H](CC)CO)CC2)CCCCC1 ZINC000450262310 405805039 /nfs/dbraw/zinc/80/50/39/405805039.db2.gz MMFHWODWEXFBFL-INIZCTEOSA-N 0 0 308.466 2.428 10 30 DEEERN C=CCOCCCNC(=O)C[C@H](n1ccnc1)C(F)(F)F ZINC000636200626 405809959 /nfs/dbraw/zinc/80/99/59/405809959.db2.gz QKRCBBUVLKPONG-NSHDSACASA-N 0 0 305.300 2.086 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000450179160 405769483 /nfs/dbraw/zinc/76/94/83/405769483.db2.gz VRAFIGUWXFBHIS-JJAZEVLHSA-N 0 0 301.386 2.428 10 30 DEEERN C=C[C@@](C)(O)C(=O)NCc1cc(F)c(Br)cc1F ZINC000529878487 405769978 /nfs/dbraw/zinc/76/99/78/405769978.db2.gz SDYONACOIISXKN-GFCCVEGCSA-N 0 0 320.133 2.281 10 30 DEEERN COc1ccc(CNC(=O)Cc2cccc(C#N)c2)cc1OC ZINC000530915815 405879587 /nfs/dbraw/zinc/87/95/87/405879587.db2.gz KIOIVAXBUUCFNH-UHFFFAOYSA-N 0 0 310.353 2.434 10 30 DEEERN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000457532682 405886739 /nfs/dbraw/zinc/88/67/39/405886739.db2.gz PCYJBYJZQODPJW-PMPSAXMXSA-N 0 0 303.406 2.418 10 30 DEEERN C=CCCO[C@@H](C)C(=O)Nc1ccc2[nH]c(C(N)=O)cc2c1 ZINC000633780536 405832761 /nfs/dbraw/zinc/83/27/61/405832761.db2.gz CTHVZBIKAFLSNC-JTQLQIEISA-N 0 0 301.346 2.187 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NCc1cccc(OC(C)(C)C)n1 ZINC000450328892 405837820 /nfs/dbraw/zinc/83/78/20/405837820.db2.gz INTARVKDJVXNSU-UHFFFAOYSA-N 0 0 312.373 2.399 10 30 DEEERN C=C(C)Cn1c(N2CC[C@H](COC)C2)nnc1[C@]1(C)CCCO1 ZINC000584214274 405849267 /nfs/dbraw/zinc/84/92/67/405849267.db2.gz PULGFUYBEXLWHZ-YOEHRIQHSA-N 0 0 320.437 2.353 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCOc2ccc(Cl)cn2)C1=O ZINC000630979987 405950275 /nfs/dbraw/zinc/95/02/75/405950275.db2.gz XTSLHYKDAOYQGP-NSHDSACASA-N 0 0 309.753 2.000 10 30 DEEERN COC(=O)[C@@H](NC(=O)Cc1cccc(C#N)c1)c1cccs1 ZINC000531386155 405952748 /nfs/dbraw/zinc/95/27/48/405952748.db2.gz ZUEWMJBZEFNICM-HNNXBMFYSA-N 0 0 314.366 2.193 10 30 DEEERN C=CCCOCCCCc1nc(-c2cnc(OC)cn2)no1 ZINC000632156922 406026251 /nfs/dbraw/zinc/02/62/51/406026251.db2.gz YDPRSAIFIZUREG-UHFFFAOYSA-N 0 0 304.350 2.451 10 30 DEEERN C=CCC1(C(=O)N2CCO[C@@H](C(F)F)CC2)CCOCC1 ZINC000634165281 406033053 /nfs/dbraw/zinc/03/30/53/406033053.db2.gz LJQGNLMBASASJX-GFCCVEGCSA-N 0 0 303.349 2.242 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000636515206 405996329 /nfs/dbraw/zinc/99/63/29/405996329.db2.gz UXYVULFTFSYAMX-BZUAXINKSA-N 0 0 323.481 2.482 10 30 DEEERN N#CC1(CNC(=O)[C@H]2CCCN2c2ncnc3ccccc32)CC1 ZINC000562437176 406009412 /nfs/dbraw/zinc/00/94/12/406009412.db2.gz YPMZMTZOZPCPBE-OAHLLOKOSA-N 0 0 321.384 2.019 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cncc(Br)c1 ZINC000565712868 406082818 /nfs/dbraw/zinc/08/28/18/406082818.db2.gz VAYXBYINBFRPSG-CABZTGNLSA-N 0 0 311.179 2.165 10 30 DEEERN C=CCN(CCOC)C(=O)C(=O)NCC(C)(C)C1=CCCCC1 ZINC000565744969 406083498 /nfs/dbraw/zinc/08/34/98/406083498.db2.gz XMEKJIXCYIIHHD-UHFFFAOYSA-N 0 0 322.449 2.290 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1ncc(CC)s1 ZINC000636795006 406084385 /nfs/dbraw/zinc/08/43/85/406084385.db2.gz MWOQOUNIGCOOSC-UHFFFAOYSA-N 0 0 309.435 2.040 10 30 DEEERN C=CCCCCCNC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000566570782 406089721 /nfs/dbraw/zinc/08/97/21/406089721.db2.gz UCJQBKHLJQOPIU-ZIAGYGMSSA-N 0 0 316.467 2.388 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)NCC1([C@H]2CCCCO2)CCC1 ZINC000632344922 406099964 /nfs/dbraw/zinc/09/99/64/406099964.db2.gz UKCNWIZZIIXSKZ-OAHLLOKOSA-N 0 0 320.433 2.043 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCOCc1ccccc1 ZINC000636658726 406043543 /nfs/dbraw/zinc/04/35/43/406043543.db2.gz IRYUEDQQFBSWCH-UHFFFAOYSA-N 0 0 318.417 2.038 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCCCNC(=O)c2ccccc2)C1 ZINC000636690885 406056214 /nfs/dbraw/zinc/05/62/14/406056214.db2.gz IOWPMFYGRYBIBS-OAHLLOKOSA-N 0 0 315.417 2.414 10 30 DEEERN C=CCCCCCNC(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC000515069784 406056698 /nfs/dbraw/zinc/05/66/98/406056698.db2.gz OELMNJOAADFSSC-UHFFFAOYSA-N 0 0 316.467 2.247 10 30 DEEERN Cn1cc([C@H](NC(=O)Cc2cccc(C#N)c2)C(F)(F)F)cn1 ZINC000515195856 406057322 /nfs/dbraw/zinc/05/73/22/406057322.db2.gz JMLFPEHANABANK-AWEZNQCLSA-N 0 0 322.290 2.254 10 30 DEEERN C=CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)OC2(CCC2)C1 ZINC000515382835 406064619 /nfs/dbraw/zinc/06/46/19/406064619.db2.gz BICNVPHJFAVAII-UONOGXRCSA-N 0 0 318.421 2.463 10 30 DEEERN C=CCCCCCNC(=O)N1CCNC[C@H]1c1cccnc1 ZINC000565221757 406070799 /nfs/dbraw/zinc/07/07/99/406070799.db2.gz LSGRZFRWRATSTH-INIZCTEOSA-N 0 0 302.422 2.484 10 30 DEEERN C=C(C)COCCNC(=O)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000636930554 406125710 /nfs/dbraw/zinc/12/57/10/406125710.db2.gz JAOPFENLRFHZKU-OAHLLOKOSA-N 0 0 304.390 2.484 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000632412444 406127146 /nfs/dbraw/zinc/12/71/46/406127146.db2.gz BESILOCCSGFFIE-OAHLLOKOSA-N 0 0 313.401 2.045 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000567735922 406130514 /nfs/dbraw/zinc/13/05/14/406130514.db2.gz YURJCBFKTBNSQK-WFASDCNBSA-N 0 0 315.373 2.284 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000637100327 406177793 /nfs/dbraw/zinc/17/77/93/406177793.db2.gz WCZZTXOUPVREQE-AWEZNQCLSA-N 0 0 306.793 2.478 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCCO[C@H](CC)C1 ZINC000632583955 406190322 /nfs/dbraw/zinc/19/03/22/406190322.db2.gz UHORFBLBBFIMEI-CQSZACIVSA-N 0 0 310.438 2.123 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H](C)c2noc(COCC)n2)C1 ZINC000637158142 406194706 /nfs/dbraw/zinc/19/47/06/406194706.db2.gz LONRHULHOYOZFW-VXGBXAGGSA-N 0 0 308.382 2.275 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000519390568 406195116 /nfs/dbraw/zinc/19/51/16/406195116.db2.gz ITBYXAVIVWENJE-CQDKDKBSSA-N 0 0 317.389 2.055 10 30 DEEERN CC(=O)c1cccc(S(=O)(=O)N(C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000632665296 406219687 /nfs/dbraw/zinc/21/96/87/406219687.db2.gz LJFMHOJHFSUEJR-HIFRSBDPSA-N 0 0 306.387 2.202 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000519761510 406248817 /nfs/dbraw/zinc/24/88/17/406248817.db2.gz DOSLGVQLBRUQDW-FZKCQIBNSA-N 0 0 308.422 2.178 10 30 DEEERN C=CC[C@@H](C(=O)NCC(=O)NCc1ccco1)c1ccccc1 ZINC000487737451 406260371 /nfs/dbraw/zinc/26/03/71/406260371.db2.gz FFDRNKSVFGLDOA-MRXNPFEDSA-N 0 0 312.369 2.372 10 30 DEEERN N#Cc1cccc(CC(=O)N[C@@H](CO)c2c(F)cccc2F)c1 ZINC000536220654 406253343 /nfs/dbraw/zinc/25/33/43/406253343.db2.gz LXGGNMGVICPVDU-HNNXBMFYSA-N 0 0 316.307 2.229 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccn(C2CCCC2)n1 ZINC000519865807 406265221 /nfs/dbraw/zinc/26/52/21/406265221.db2.gz DUPXIRMQMLSXNL-CABCVRRESA-N 0 0 304.394 2.141 10 30 DEEERN N#Cc1cnccc1NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000520345260 406283329 /nfs/dbraw/zinc/28/33/29/406283329.db2.gz SKYWLIPMMIRDJP-UHFFFAOYSA-N 0 0 315.760 2.454 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@H]2Cc3ccc(Cl)cc32)C1=O ZINC000632845713 406287460 /nfs/dbraw/zinc/28/74/60/406287460.db2.gz QGHOHXBRHRDEFZ-GJZGRUSLSA-N 0 0 318.804 2.225 10 30 DEEERN C=CCN(CCOC)C(=O)NCc1ccc(C(C)(C)C)[nH]c1=O ZINC000637611935 406364582 /nfs/dbraw/zinc/36/45/82/406364582.db2.gz VMRDUYABDNEWFF-UHFFFAOYSA-N 0 0 321.421 2.429 10 30 DEEERN C=CC[C@@H]1N(C(=O)NC[C@H]2COCCN2C)CCCC1(C)C ZINC000637442869 406309082 /nfs/dbraw/zinc/30/90/82/406309082.db2.gz URASQVOTRHDDDD-GJZGRUSLSA-N 0 0 309.454 2.093 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000637621950 406369392 /nfs/dbraw/zinc/36/93/92/406369392.db2.gz UEGXHQAPCNXREZ-CYBMUJFWSA-N 0 0 316.467 2.055 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCc2n[nH]c(=O)cc2C1 ZINC000637622061 406369413 /nfs/dbraw/zinc/36/94/13/406369413.db2.gz XXJLUQPLACHFJB-UHFFFAOYSA-N 0 0 304.394 2.242 10 30 DEEERN C=CCOc1ccc(C(=O)N(CCOC)[C@H]2CCOC2)cc1 ZINC000490317923 406459884 /nfs/dbraw/zinc/45/98/84/406459884.db2.gz XTPAUSPLKFYORF-HNNXBMFYSA-N 0 0 305.374 2.129 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cn(CC(F)(F)F)nc1C ZINC000571277734 406500674 /nfs/dbraw/zinc/50/06/74/406500674.db2.gz SJJYJQOUQWSFNI-JQWIXIFHSA-N 0 0 317.311 2.075 10 30 DEEERN C=CCn1c(C2CCCC2)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000571688192 406552537 /nfs/dbraw/zinc/55/25/37/406552537.db2.gz HSOZLMAGLRUOGR-GXTWGEPZSA-N 0 0 317.437 2.212 10 30 DEEERN C#C[C@H](NC(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1)C(C)C ZINC000491706298 406680548 /nfs/dbraw/zinc/68/05/48/406680548.db2.gz DQMZJRYFUYVDIN-KGLIPLIRSA-N 0 0 308.422 2.408 10 30 DEEERN Cc1cc(C#N)nc(N2CCC[C@@H](OCC(F)(F)F)C2)n1 ZINC000552952732 406728619 /nfs/dbraw/zinc/72/86/19/406728619.db2.gz QWWUQYQWKWWOFQ-LLVKDONJSA-N 0 0 300.284 2.204 10 30 DEEERN C=CCn1c(CC(F)(F)F)nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC000574156515 406780560 /nfs/dbraw/zinc/78/05/60/406780560.db2.gz BQWADDFPYZMBBO-QWRGUYRKSA-N 0 0 318.343 2.430 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C#N)c(F)c1 ZINC000573480663 406773536 /nfs/dbraw/zinc/77/35/36/406773536.db2.gz CRTCAJGPQBQNHC-ZFWWWQNUSA-N 0 0 303.337 2.088 10 30 DEEERN O=C(NC[C@@H]1CCCS1)c1ccc(C#CCO)c(Cl)c1 ZINC000128973445 196009024 /nfs/dbraw/zinc/00/90/24/196009024.db2.gz IIJACYCAJFCBDV-ZDUSSCGKSA-N 0 0 309.818 2.309 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCC(C)CC1 ZINC000129271173 196034518 /nfs/dbraw/zinc/03/45/18/196034518.db2.gz UWUFJMDYHUPKSM-UHFFFAOYSA-N 0 0 323.400 2.384 10 30 DEEERN C=CCNC(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000129572522 196058931 /nfs/dbraw/zinc/05/89/31/196058931.db2.gz HQXOLOPZABGOSM-UHFFFAOYSA-N 0 0 313.401 2.183 10 30 DEEERN C=CCN(C1CC1)S(=O)(=O)c1ccc(N)c2cccnc21 ZINC000130580699 196092487 /nfs/dbraw/zinc/09/24/87/196092487.db2.gz FICSOYDGRCZCSQ-UHFFFAOYSA-N 0 0 303.387 2.156 10 30 DEEERN C#CC[C@@H](C)NS(=O)(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000130963782 196128106 /nfs/dbraw/zinc/12/81/06/196128106.db2.gz PVRKQNYBAWVOAG-LLVKDONJSA-N 0 0 310.375 2.210 10 30 DEEERN N#Cc1cc(Br)ccc1N[C@@H]1CCCCNC1=O ZINC000132384848 196250964 /nfs/dbraw/zinc/25/09/64/196250964.db2.gz IBWDQCGPJLNSKX-GFCCVEGCSA-N 0 0 308.179 2.401 10 30 DEEERN N#Cc1cc(Br)ccc1NC(=O)c1nnc(N)s1 ZINC000133008121 196304556 /nfs/dbraw/zinc/30/45/56/196304556.db2.gz FBTYUDDVSUKCKG-UHFFFAOYSA-N 0 0 324.163 2.007 10 30 DEEERN C#CCn1ncc(NCc2ccccc2)c(Br)c1=O ZINC000133298947 196328704 /nfs/dbraw/zinc/32/87/04/196328704.db2.gz WYRSQARUHIYQSB-UHFFFAOYSA-N 0 0 318.174 2.251 10 30 DEEERN C#CC[C@@H](CC)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000133897200 196344330 /nfs/dbraw/zinc/34/43/30/196344330.db2.gz MVIVDTAMOLFAQJ-SECBINFHSA-N 0 0 316.766 2.328 10 30 DEEERN C#CC[C@@H](CC)NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000135105872 196444497 /nfs/dbraw/zinc/44/44/97/196444497.db2.gz HNSIWKGAZGRUFC-GFCCVEGCSA-N 0 0 310.375 2.292 10 30 DEEERN N#CCC1(O)CN(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000186839450 224967775 /nfs/dbraw/zinc/96/77/75/224967775.db2.gz APMSMRQALMZMTI-UHFFFAOYSA-N 0 0 306.365 2.378 10 30 DEEERN N#CCC[C@H](NC(=O)NCC1(CCO)CC1)c1ccccc1 ZINC000187666223 224994349 /nfs/dbraw/zinc/99/43/49/224994349.db2.gz GSIVJYOZTIXSKX-HNNXBMFYSA-N 0 0 301.390 2.493 10 30 DEEERN N#CC1(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)CCCC1 ZINC000188106383 225010565 /nfs/dbraw/zinc/01/05/65/225010565.db2.gz QBWUSCKDDKYQGL-UHFFFAOYSA-N 0 0 313.405 2.020 10 30 DEEERN CCc1noc(C)c1NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000192954771 225146846 /nfs/dbraw/zinc/14/68/46/225146846.db2.gz YNXSAHKKQZWYLQ-UHFFFAOYSA-N 0 0 316.292 2.133 10 30 DEEERN O[C@H](CN1CCN(CC#Cc2ccccc2)CC1)c1ccccc1 ZINC000192000339 225121949 /nfs/dbraw/zinc/12/19/49/225121949.db2.gz LDTFOXSJFDBZGV-OAQYLSRUSA-N 0 0 320.436 2.389 10 30 DEEERN C[C@H](C#N)CSc1ccccc1NC(=O)N1CC(CO)C1 ZINC000192216023 225128518 /nfs/dbraw/zinc/12/85/18/225128518.db2.gz IRRMTKKTWGLDBN-LLVKDONJSA-N 0 0 305.403 2.394 10 30 DEEERN N#CCOc1ccccc1C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000194199246 225177254 /nfs/dbraw/zinc/17/72/54/225177254.db2.gz NJGCKPJOXHFZIM-HOCLYGCPSA-N 0 0 300.358 2.373 10 30 DEEERN N#CCOc1ccccc1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245882007 225222997 /nfs/dbraw/zinc/22/29/97/225222997.db2.gz KKUACFYENWKWBS-FVQBIDKESA-N 0 0 312.369 2.276 10 30 DEEERN CN(C(=O)N[C@H](C1CC1)C1(CO)CCOCC1)C1CCCC1 ZINC000328845750 225804384 /nfs/dbraw/zinc/80/43/84/225804384.db2.gz QHMBIXMZDOAYJU-OAHLLOKOSA-N 0 0 310.438 2.343 10 30 DEEERN O=C(CNC(=O)c1ccc2c(c1)CCC2)NC[C@@H]1CCCCO1 ZINC000328878900 225809956 /nfs/dbraw/zinc/80/99/56/225809956.db2.gz JLCXAVFLJDTPKJ-INIZCTEOSA-N 0 0 316.401 2.431 10 30 DEEERN O=C(N[C@H]1CC[C@H](O)CC1)N1CCO[C@H](C2CCCCC2)C1 ZINC000329833422 225934999 /nfs/dbraw/zinc/93/49/99/225934999.db2.gz KRHJLPHUCNUHHN-JYJNAYRXSA-N 0 0 310.438 2.485 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)C[C@H]1c1ccccc1 ZINC000333752889 226110266 /nfs/dbraw/zinc/11/02/66/226110266.db2.gz NNNKAFRYEDCPBM-WFKFIOEPSA-N 0 0 308.381 2.367 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cccc(Cl)c2F)CCN1C1CC1 ZINC000370573850 227056141 /nfs/dbraw/zinc/05/61/41/227056141.db2.gz LZICSEVTOSPDQK-NSHDSACASA-N 0 0 307.756 2.291 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cccc3cccnc32)CCN1C1CC1 ZINC000370983704 227061074 /nfs/dbraw/zinc/06/10/74/227061074.db2.gz BUYWFTNMNMNGJB-HNNXBMFYSA-N 0 0 306.369 2.047 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCCC[C@@H]1CC ZINC000290462414 221673180 /nfs/dbraw/zinc/67/31/80/221673180.db2.gz SRHQDTJFGQPXFL-KBPBESRZSA-N 0 0 306.410 2.321 10 30 DEEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@H]1c1ccco1 ZINC000407974131 227224316 /nfs/dbraw/zinc/22/43/16/227224316.db2.gz CHYYNOLCUCHXRH-OLZOCXBDSA-N 0 0 311.407 2.285 10 30 DEEERN N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000408340059 227231760 /nfs/dbraw/zinc/23/17/60/227231760.db2.gz UAXRERDYUNNXHS-RDDDGLTNSA-N 0 0 304.293 2.074 10 30 DEEERN N#Cc1cnc(NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000302568493 230301560 /nfs/dbraw/zinc/30/15/60/230301560.db2.gz XTAILICRLIDSLX-SKDRFNHKSA-N 0 0 300.284 2.244 10 30 DEEERN N#Cc1nc(N2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000302694034 230355993 /nfs/dbraw/zinc/35/59/93/230355993.db2.gz DBPQRGXGQAJYTJ-UHFFFAOYSA-N 0 0 323.356 2.184 10 30 DEEERN C=CCNc1nnc(SC[C@H](O)C[C@](C)(O)C2CC2)s1 ZINC000634638110 422520562 /nfs/dbraw/zinc/52/05/62/422520562.db2.gz INIMCMARKODBTB-MFKMUULPSA-N 0 0 315.464 2.140 10 30 DEEERN N#CCCn1ccc(NC(=O)NCc2ccc(C#N)cc2F)n1 ZINC000609847859 422465098 /nfs/dbraw/zinc/46/50/98/422465098.db2.gz LOHFMLREFRQMIU-UHFFFAOYSA-N 0 0 312.308 2.129 10 30 DEEERN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1c1cccc(F)c1C#N ZINC000284524928 424891384 /nfs/dbraw/zinc/89/13/84/424891384.db2.gz JGZVRQHKBDUMST-COXVUDFISA-N 0 0 304.365 2.454 10 30 DEEERN Cc1cc(NC(=O)c2ccc3c(n2)CCCC3)nn1CCC#N ZINC000328975143 424902880 /nfs/dbraw/zinc/90/28/80/424902880.db2.gz BFZIHONXXWANET-UHFFFAOYSA-N 0 0 309.373 2.631 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(-c2ccccc2)nn1 ZINC000564884678 424903299 /nfs/dbraw/zinc/90/32/99/424903299.db2.gz QKLJXEJCBWWSIP-RHSMWYFYSA-N 0 0 309.369 3.063 10 30 DEEERN C=CCCn1cc(C(=O)Nc2cc(C3(C)CCCC3)on2)nn1 ZINC000584168907 424988623 /nfs/dbraw/zinc/98/86/23/424988623.db2.gz WTCLEJSVXWZIFF-UHFFFAOYSA-N 0 0 315.377 2.926 10 30 DEEERN C=CCSCCNc1ncnc2c(OC)cc(OC)cc12 ZINC000432823022 425018430 /nfs/dbraw/zinc/01/84/30/425018430.db2.gz PCQBARYVGKZYSI-UHFFFAOYSA-N 0 0 305.403 2.978 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434926762 425027063 /nfs/dbraw/zinc/02/70/63/425027063.db2.gz PKELNSCOEVIRDN-UHFFFAOYSA-N 0 0 319.405 2.869 10 30 DEEERN C=CC[C@@H](CO)CNc1nn2cc(C3CCCC3)nc2s1 ZINC000436463012 425032976 /nfs/dbraw/zinc/03/29/76/425032976.db2.gz WKAIJGLYGXRJRA-LLVKDONJSA-N 0 0 306.435 3.045 10 30 DEEERN C=CCC(CC=C)C(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1 ZINC000598545318 425038716 /nfs/dbraw/zinc/03/87/16/425038716.db2.gz NDJDEWHGEKESJM-UHFFFAOYSA-N 0 0 319.405 2.932 10 30 DEEERN C=CC[C@H](CO)CNc1nc(C)cc(OCc2ccccc2)n1 ZINC000450426767 425073529 /nfs/dbraw/zinc/07/35/29/425073529.db2.gz XXRUWFGDNBQWBQ-INIZCTEOSA-N 0 0 313.401 2.961 10 30 DEEERN C=CCNC(=O)c1ccc(NC[C@@H]2CCO[C@@H](C(C)C)C2)nc1 ZINC000450734253 425079524 /nfs/dbraw/zinc/07/95/24/425079524.db2.gz BRWWLPLQELWENH-GDBMZVCRSA-N 0 0 317.433 2.861 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](CCO)c1ccco1 ZINC000187814208 267204687 /nfs/dbraw/zinc/20/46/87/267204687.db2.gz ADYBTADSBUMUPZ-JSGCOSHPSA-N 0 0 314.341 2.158 10 30 DEEERN COC(=O)CN(C(=O)Cc1cccc(C#N)c1)C1CCCC1 ZINC000531890134 267363926 /nfs/dbraw/zinc/36/39/26/267363926.db2.gz UZNAMEYMWAWNHR-UHFFFAOYSA-N 0 0 300.358 2.045 10 30 DEEERN CN(CCOCC1CC1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000087126210 267392457 /nfs/dbraw/zinc/39/24/57/267392457.db2.gz CVFIGSPCNOCEIE-UHFFFAOYSA-N 0 0 317.389 2.005 10 30 DEEERN N#Cc1ccc(C(F)(F)F)nc1NCc1cc(C(N)=O)co1 ZINC000189224272 268051202 /nfs/dbraw/zinc/05/12/02/268051202.db2.gz AKOLKIQZTGIAFC-UHFFFAOYSA-N 0 0 310.235 2.276 10 30 DEEERN N#Cc1ccc(OCCNC(=O)NC2CCSCC2)cc1 ZINC000173169037 268174713 /nfs/dbraw/zinc/17/47/13/268174713.db2.gz ZXWFCWGZIZSRDF-UHFFFAOYSA-N 0 0 305.403 2.132 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)[C@@H]3CCc4cccnc43)C2)cc1 ZINC000333425232 268943965 /nfs/dbraw/zinc/94/39/65/268943965.db2.gz JXZKQIDOPBMLMZ-QGZVFWFLSA-N 0 0 319.364 2.273 10 30 DEEERN N#Cc1nc2ccccc2cc1N1CCO[C@]2(CCCOC2)C1 ZINC000334059364 269012868 /nfs/dbraw/zinc/01/28/68/269012868.db2.gz XUQOEQHMMIELBR-GOSISDBHSA-N 0 0 309.369 2.492 10 30 DEEERN N#Cc1c(N2CCN(c3ccc(F)cn3)CC2)nc2ccccn21 ZINC000363695321 269070607 /nfs/dbraw/zinc/07/06/07/269070607.db2.gz DLNGFSCSZROYDA-UHFFFAOYSA-N 0 0 322.347 2.067 10 30 DEEERN C=C(Br)CN1CCC(C2N=NC(=O)N2CC)CC1 ZINC000371290125 277761472 /nfs/dbraw/zinc/76/14/72/277761472.db2.gz SNTDKUTXNUVZMG-UHFFFAOYSA-N 0 0 315.215 2.092 10 30 DEEERN C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)CC(C)(C)O1 ZINC000328893360 277810024 /nfs/dbraw/zinc/81/00/24/277810024.db2.gz UIWJZBWMXKHSPS-QKCSRTOESA-N 0 0 309.410 2.297 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000358226516 277917564 /nfs/dbraw/zinc/91/75/64/277917564.db2.gz QMJBVUPUTKAZCJ-IAGOWNOFSA-N 0 0 311.422 2.012 10 30 DEEERN C[C@@H]1NC(=O)CC[C@@H]1Nc1ccc(C#N)cc1Br ZINC000281589869 278045988 /nfs/dbraw/zinc/04/59/88/278045988.db2.gz GXLUTOWZHLJOLI-KWQFWETISA-N 0 0 308.179 2.400 10 30 DEEERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H]1CCCCC12CCCC2 ZINC000330305365 278067851 /nfs/dbraw/zinc/06/78/51/278067851.db2.gz KVMQKSWBENXJTB-RRFJBIMHSA-N 0 0 308.422 2.428 10 30 DEEERN C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)C[C@@H]1CCCO1 ZINC000187829454 278135545 /nfs/dbraw/zinc/13/55/45/278135545.db2.gz SAQQNOXSWCLOJJ-WBVHZDCISA-N 0 0 315.417 2.433 10 30 DEEERN C[C@H]([C@H](C)S(C)(=O)=O)N(C)CC#Cc1ccc(Cl)cc1 ZINC000177170649 278304452 /nfs/dbraw/zinc/30/44/52/278304452.db2.gz CTLFPQXGXGULIM-OLZOCXBDSA-N 0 0 313.850 2.445 10 30 DEEERN Cc1c(Cl)cccc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000365494001 278597961 /nfs/dbraw/zinc/59/79/61/278597961.db2.gz VSYJINFOVBCLAB-ZDUSSCGKSA-N 0 0 303.793 2.461 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CCC[C@@H]3C2)[C@]12CCCO2 ZINC000329525325 279831219 /nfs/dbraw/zinc/83/12/19/279831219.db2.gz QXFIGVBPISDQOD-LVNYTYFRSA-N 0 0 308.422 2.359 10 30 DEEERN CCN(CCNC(=O)c1cc(C#N)cn1C)c1cccc(C)c1 ZINC000080954991 281601905 /nfs/dbraw/zinc/60/19/05/281601905.db2.gz VPXZNZPNOFGYJG-UHFFFAOYSA-N 0 0 310.401 2.462 10 30 DEEERN C[C@H]1OCC[C@H]1NC(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000330261647 300622787 /nfs/dbraw/zinc/62/27/87/300622787.db2.gz PGYMCMJWZNRYFE-QZKOUSHUSA-N 0 0 308.353 2.025 10 30 DEEERN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCCCO3)C2)n1 ZINC000364793583 301487061 /nfs/dbraw/zinc/48/70/61/301487061.db2.gz UWRSTKBKTYFWHQ-HNNXBMFYSA-N 0 0 314.389 2.032 10 30 DEEERN N#CC1CCN(S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000408429022 303148001 /nfs/dbraw/zinc/14/80/01/303148001.db2.gz HWOXOPZLNLWLCK-UHFFFAOYSA-N 0 0 319.308 2.025 10 30 DEEERN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)N1CCC1 ZINC000568112447 325914030 /nfs/dbraw/zinc/91/40/30/325914030.db2.gz KVDSSAVUOKGAMY-UHFFFAOYSA-N 0 0 315.760 2.067 10 30 DEEERN COc1cc(CN2CCC[C@H]2C(=O)OC(C)C)ccc1C#N ZINC000575863716 326251968 /nfs/dbraw/zinc/25/19/68/326251968.db2.gz IFEYTPAUDITQLY-HNNXBMFYSA-N 0 0 302.374 2.483 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(Cl)s1 ZINC000583930678 331473288 /nfs/dbraw/zinc/47/32/88/331473288.db2.gz AUGUBKLHKKZQSW-IUCAKERBSA-N 0 0 307.824 2.271 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CC(C)(C)C[C@H]1C ZINC000565644215 331756898 /nfs/dbraw/zinc/75/68/98/331756898.db2.gz IOMFQTMONZBOSE-CHWSQXEVSA-N 0 0 306.410 2.177 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCC[C@@H](COC)CC1 ZINC000573266716 331956235 /nfs/dbraw/zinc/95/62/35/331956235.db2.gz KYPJNEMMPGCZHH-OAHLLOKOSA-N 0 0 310.438 2.124 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N1CCC[C@H](NC(=O)CCC)C1 ZINC000558994060 331964837 /nfs/dbraw/zinc/96/48/37/331964837.db2.gz LFJAIQJDQIGQBE-AWEZNQCLSA-N 0 0 319.453 2.302 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000559011392 331965942 /nfs/dbraw/zinc/96/59/42/331965942.db2.gz SVGYMWCUERAPSN-PBHICJAKSA-N 0 0 320.437 2.191 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N(C)[C@@H](C)C1CC1 ZINC000560350610 332333556 /nfs/dbraw/zinc/33/35/56/332333556.db2.gz BTGFYYQUGIABGV-NSHDSACASA-N 0 0 315.425 2.193 10 30 DEEERN C[C@@H](Sc1ccc(C(F)(F)F)nn1)C(=O)N(C)CCC#N ZINC000186931279 333225083 /nfs/dbraw/zinc/22/50/83/333225083.db2.gz LHIFGFWUTJUGDC-MRVPVSSYSA-N 0 0 318.324 2.348 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NS(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000295959523 335138741 /nfs/dbraw/zinc/13/87/41/335138741.db2.gz JVLJDQSTGRRQSA-DJIMGWMZSA-N 0 0 321.442 2.108 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NC[C@@H](C)c1c(C)noc1C ZINC000570986002 333475536 /nfs/dbraw/zinc/47/55/36/333475536.db2.gz XUFUWTQYEQLQGJ-GFCCVEGCSA-N 0 0 321.421 2.374 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1C[C@H](C)C[C@H]1CC ZINC000571007765 333478486 /nfs/dbraw/zinc/47/84/86/333478486.db2.gz YTNLUGGZBYWFFP-MCIONIFRSA-N 0 0 306.410 2.177 10 30 DEEERN C=CCCCCCNC(=O)N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000563373056 333595600 /nfs/dbraw/zinc/59/56/00/333595600.db2.gz HITFZJYYIJZXPQ-OAGGEKHMSA-N 0 0 310.438 2.304 10 30 DEEERN CC#CCN(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000297137898 335150245 /nfs/dbraw/zinc/15/02/45/335150245.db2.gz CIVDWDIINXDLGW-HZPDHXFCSA-N 0 0 321.371 2.375 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@@H]1c1cccc(C)n1 ZINC000582167580 335681836 /nfs/dbraw/zinc/68/18/36/335681836.db2.gz UUGBWGRBXKKCIF-MRXNPFEDSA-N 0 0 315.417 2.478 10 30 DEEERN C=C(C)Cn1c(N2CCO[C@@H](CF)C2)nnc1[C@@]1(C)CCCO1 ZINC000582168886 335693995 /nfs/dbraw/zinc/69/39/95/335693995.db2.gz DZDTZNCZYODQJE-XJKSGUPXSA-N 0 0 324.400 2.055 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CCC(C)CC1 ZINC000582223452 336026706 /nfs/dbraw/zinc/02/67/06/336026706.db2.gz YPOFLUGMDPJPHL-UHFFFAOYSA-N 0 0 315.425 2.194 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 ZINC000580388079 336263159 /nfs/dbraw/zinc/26/31/59/336263159.db2.gz TVRVZSFJWKGWBJ-UKRRQHHQSA-N 0 0 323.414 2.318 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)OC)[C@@H]1CCC[C@H](OC)C1 ZINC000514606600 336385996 /nfs/dbraw/zinc/38/59/96/336385996.db2.gz CAFCYZKLGIQOGY-XGUBFFRZSA-N 0 0 311.422 2.452 10 30 DEEERN C=CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](COC)CC1 ZINC000563936981 336387040 /nfs/dbraw/zinc/38/70/40/336387040.db2.gz OIOQXAWSRGONIS-HUUCEWRRSA-N 0 0 320.437 2.221 10 30 DEEERN CCOC(=O)C1=C(O)C(I)=CC[C@@H]1C ZINC000584604463 337371316 /nfs/dbraw/zinc/37/13/16/337371316.db2.gz FLVMILNKUYAVIL-POYBYMJQSA-N 0 0 308.115 2.094 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000514931872 337974195 /nfs/dbraw/zinc/97/41/95/337974195.db2.gz AWGGGNKBOHVZOI-SRVKXCTJSA-N 0 0 308.403 2.316 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cccc2ccccc21 ZINC000517290576 340467593 /nfs/dbraw/zinc/46/75/93/340467593.db2.gz ALUILWTWQFRLDJ-CABCVRRESA-N 0 0 303.383 2.462 10 30 DEEERN CC(C)(C)OC(=O)NC1CCC(CCOS(C)(=O)=O)CC1 ZINC000116821459 340524735 /nfs/dbraw/zinc/52/47/35/340524735.db2.gz VJAZODDQBCCEBS-UHFFFAOYSA-N 0 0 321.439 2.436 10 30 DEEERN CC1(C#N)CCN(C(=O)NCCc2ccc3c(c2)OCO3)CC1 ZINC000541871070 340986584 /nfs/dbraw/zinc/98/65/84/340986584.db2.gz BUVXOSIDWNRDPZ-UHFFFAOYSA-N 0 0 315.373 2.293 10 30 DEEERN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C#N)cc1 ZINC000544621304 341089696 /nfs/dbraw/zinc/08/96/96/341089696.db2.gz ZXXQDRAKAXBKGR-UHFFFAOYSA-N 0 0 323.418 2.252 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1c(C)nn(Cc2ccccc2)c1C ZINC000545284439 341119268 /nfs/dbraw/zinc/11/92/68/341119268.db2.gz JILGFRPUJLIRGJ-INIZCTEOSA-N 0 0 313.401 2.215 10 30 DEEERN CCc1nc(C)c(NC(=O)C(=O)N2CCC(CC#N)CC2)s1 ZINC000547651313 341225288 /nfs/dbraw/zinc/22/52/88/341225288.db2.gz VFFKOPPPNWIYEV-UHFFFAOYSA-N 0 0 320.418 2.105 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000564353214 341264269 /nfs/dbraw/zinc/26/42/69/341264269.db2.gz ZRTMIXSPULEEHV-UHFFFAOYSA-N 0 0 316.810 2.026 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)cc1 ZINC000137654467 341277631 /nfs/dbraw/zinc/27/76/31/341277631.db2.gz TTXWMBPJLDNNQL-JKSUJKDBSA-N 0 0 316.401 2.415 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CC[C@H](C(C)C)C1 ZINC000549677294 341300323 /nfs/dbraw/zinc/30/03/23/341300323.db2.gz UOFQDICLGBFPOM-GJZGRUSLSA-N 0 0 320.437 2.424 10 30 DEEERN C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(C)(C#N)CC1 ZINC000549736333 341301885 /nfs/dbraw/zinc/30/18/85/341301885.db2.gz PHFWYQWLBGAULJ-AWEZNQCLSA-N 0 0 315.421 2.488 10 30 DEEERN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H](C)C#N)cc1Cl ZINC000091280791 341424067 /nfs/dbraw/zinc/42/40/67/341424067.db2.gz XZOPBWCVPQOFSD-SNVBAGLBSA-N 0 0 323.780 2.342 10 30 DEEERN C=CCCO[C@H](C)C(=O)Nc1ncc(C(=O)OC)cc1Cl ZINC000564872427 341511961 /nfs/dbraw/zinc/51/19/61/341511961.db2.gz LCGSEIPTJTWCLM-SECBINFHSA-N 0 0 312.753 2.441 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@](C)(O)C1CCCCC1 ZINC000564888360 341512436 /nfs/dbraw/zinc/51/24/36/341512436.db2.gz ZVHFBTJZAJTRRO-JLJPHGGASA-N 0 0 310.438 2.208 10 30 DEEERN Cc1cnc(CNC(=O)c2cn(C)nc2[C@H]2CCOC2)s1 ZINC000328615551 341734936 /nfs/dbraw/zinc/73/49/36/341734936.db2.gz AWULBDRICKVCJP-JTQLQIEISA-N 0 0 306.391 2.194 10 30 DEEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCC(CO)CC1 ZINC000574269200 341753672 /nfs/dbraw/zinc/75/36/72/341753672.db2.gz SAHCDTYOQZEMGG-ZDUSSCGKSA-N 0 0 308.451 2.241 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1c2ccccc2O[C@H]1C ZINC000576152269 341829879 /nfs/dbraw/zinc/82/98/79/341829879.db2.gz WEUHAQFLUPACCP-DUPGQFARSA-N 0 0 302.374 2.399 10 30 DEEERN Cn1cc(C#N)c(NC(=O)N2CCc3c(F)cc(F)cc3C2)n1 ZINC000610821385 483937488 /nfs/dbraw/zinc/93/74/88/483937488.db2.gz NXIIBHQHWGSFPW-UHFFFAOYSA-N 0 0 317.299 2.160 10 30 DEEERN COc1cc(Cl)ccc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000370988958 533956374 /nfs/dbraw/zinc/95/63/74/533956374.db2.gz ACCRLAWMGBPSDF-CYBMUJFWSA-N 0 0 319.792 2.161 10 30 DEEERN C[C@H]1COCC[C@@H]1C(=O)Nc1ccnn1-c1ccc(C#N)cc1 ZINC000194357532 534036178 /nfs/dbraw/zinc/03/61/78/534036178.db2.gz WMGASDFSPZFIQI-WFASDCNBSA-N 0 0 310.357 2.355 10 30 DEEERN O=C(NC1CCC2(CCOCC2)CC1)N1CC[C@H](CCO)C1 ZINC000329806868 534374221 /nfs/dbraw/zinc/37/42/21/534374221.db2.gz LKQJAADDBPQXGD-CQSZACIVSA-N 0 0 310.438 2.344 10 30 DEEERN C=C(CC)CNC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000456830571 534415782 /nfs/dbraw/zinc/41/57/82/534415782.db2.gz RJXSLOGDHFQFOZ-LBPRGKRZSA-N 0 0 308.328 2.400 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000450800046 534576912 /nfs/dbraw/zinc/57/69/12/534576912.db2.gz BQYNCCORORGHDW-NEPJUHHUSA-N 0 0 321.333 2.230 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000450380417 534580617 /nfs/dbraw/zinc/58/06/17/534580617.db2.gz ROULHJDUERZVTC-NCOADZHNSA-N 0 0 301.386 2.472 10 30 DEEERN N#CC1CCC(CNC(=O)N2CCC(O)(C(F)F)CC2)CC1 ZINC000442737368 534578125 /nfs/dbraw/zinc/57/81/25/534578125.db2.gz LROQNIWNCWXPMB-UHFFFAOYSA-N 0 0 315.364 2.118 10 30 DEEERN COCCCOCCN(C)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188999703 523402170 /nfs/dbraw/zinc/40/21/70/523402170.db2.gz OSMAHYMJAHUNTJ-UHFFFAOYSA-N 0 0 316.401 2.101 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)C[C@H]1c1ccccc1 ZINC000333752887 534736828 /nfs/dbraw/zinc/73/68/28/534736828.db2.gz NNNKAFRYEDCPBM-HCVDEJBSSA-N 0 0 308.381 2.367 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1cnc(-c2ccncc2)s1 ZINC000456776276 534791467 /nfs/dbraw/zinc/79/14/67/534791467.db2.gz LUDOGBZXTNGHRV-LBPRGKRZSA-N 0 0 303.387 2.262 10 30 DEEERN Cc1csc(C2(NCC(=O)N[C@@](C)(C#N)C(C)C)CCC2)n1 ZINC000265542739 534794718 /nfs/dbraw/zinc/79/47/18/534794718.db2.gz WZKDLAQLBMCHLU-HNNXBMFYSA-N 0 0 320.462 2.475 10 30 DEEERN C=CCN(CCC1(O)CC1)S(=O)(=O)c1cccc(Cl)c1 ZINC000442843008 526273440 /nfs/dbraw/zinc/27/34/40/526273440.db2.gz RHMQLPDBZKPRTA-UHFFFAOYSA-N 0 0 315.822 2.432 10 30 DEEERN CC(=O)CC(C)(C)CC(=O)NCCOc1ccc(C#N)cc1 ZINC000191874620 526401517 /nfs/dbraw/zinc/40/15/17/526401517.db2.gz VBUSZSYIAFXCIZ-UHFFFAOYSA-N 0 0 302.374 2.449 10 30 DEEERN CNC(=O)[C@@H]1CCCN1C(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC000329983784 526404287 /nfs/dbraw/zinc/40/42/87/526404287.db2.gz BNIQWLKYSGJBHH-RUXDESIVSA-N 0 0 321.421 2.489 10 30 DEEERN C=CCN1CC[C@@H](N(C)CC#Cc2ccccc2Cl)C1=O ZINC000337226437 526467688 /nfs/dbraw/zinc/46/76/88/526467688.db2.gz PJCXQAWXWQHSIR-MRXNPFEDSA-N 0 0 302.805 2.410 10 30 DEEERN C=CCN1CC[C@@H](N2CCC[C@@H]2c2noc(C(C)C)n2)C1=O ZINC000282037281 526479316 /nfs/dbraw/zinc/47/93/16/526479316.db2.gz QNTFFBQFFPUZCH-CHWSQXEVSA-N 0 0 304.394 2.117 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000180659896 526483497 /nfs/dbraw/zinc/48/34/97/526483497.db2.gz BIDXLERFWHYZTJ-UHFFFAOYSA-N 0 0 314.345 2.018 10 30 DEEERN C=CCN1CC[C@@H](N[C@@H](c2nccs2)C(F)(F)F)C1=O ZINC000292942927 526484193 /nfs/dbraw/zinc/48/41/93/526484193.db2.gz JZOLZNAGOLELPK-BDAKNGLRSA-N 0 0 305.325 2.123 10 30 DEEERN C=C(C)CN(C)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000182261701 526492951 /nfs/dbraw/zinc/49/29/51/526492951.db2.gz UFEYGWCMAOWTRJ-ZDUSSCGKSA-N 0 0 308.403 2.123 10 30 DEEERN C=CCN1CC[C@H](N2CCCN(c3ccccc3F)CC2)C1=O ZINC000375837175 526506631 /nfs/dbraw/zinc/50/66/31/526506631.db2.gz FWJSACBHUWWSEQ-KRWDZBQOSA-N 0 0 317.408 2.125 10 30 DEEERN C=CCN1CC[C@H](N2CCO[C@@H](c3ccc(F)c(C)c3)C2)C1=O ZINC000337193366 526509604 /nfs/dbraw/zinc/50/96/04/526509604.db2.gz VJJRGLOPJHQAMM-DLBZAZTESA-N 0 0 318.392 2.294 10 30 DEEERN C=CCNC(=O)NC(=O)[C@@H](C)Sc1ccc(N)cc1Cl ZINC000347740684 526605295 /nfs/dbraw/zinc/60/52/95/526605295.db2.gz ASQSSKWIKWXNSS-MRVPVSSYSA-N 0 0 313.810 2.415 10 30 DEEERN C=CCNC(=O)[C@@H](C)N(CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000411195944 526620974 /nfs/dbraw/zinc/62/09/74/526620974.db2.gz UBMLPZUDCPFEAZ-CYBMUJFWSA-N 0 0 303.362 2.274 10 30 DEEERN C#CCCCCC(=O)N1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000375006686 526687245 /nfs/dbraw/zinc/68/72/45/526687245.db2.gz VUBRCWIKMGBERI-OAHLLOKOSA-N 0 0 303.406 2.130 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000372005185 526701707 /nfs/dbraw/zinc/70/17/07/526701707.db2.gz XGSMTVZFSPWRIA-KGLIPLIRSA-N 0 0 315.417 2.083 10 30 DEEERN C=C(C)C[C@H](C)c1nc(CC(=O)N2C[C@H](C)O[C@@H](C)C2)no1 ZINC000289085494 526715556 /nfs/dbraw/zinc/71/55/56/526715556.db2.gz NLNPPYMNEDIJNM-AVGNSLFASA-N 0 0 307.394 2.318 10 30 DEEERN N#Cc1cccc(NC(=O)COc2ccccc2-c2nc[nH]n2)c1 ZINC000158103615 526718293 /nfs/dbraw/zinc/71/82/93/526718293.db2.gz DWNHEYXLYSESSU-UHFFFAOYSA-N 0 0 319.324 2.361 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCN(c2cnccc2C)CC1)OCC ZINC000337244217 526744473 /nfs/dbraw/zinc/74/44/73/526744473.db2.gz BZEZOOPCDJGYHJ-QGZVFWFLSA-N 0 0 317.433 2.410 10 30 DEEERN C=C(C)[C@@H](CC(=O)N[C@H](CC(=O)NC)c1ccccc1)OCC ZINC000362045811 526751104 /nfs/dbraw/zinc/75/11/04/526751104.db2.gz FAZRYKYALMJYGO-HZPDHXFCSA-N 0 0 318.417 2.351 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[C@H](OC)C(F)(F)F ZINC000437860472 526774690 /nfs/dbraw/zinc/77/46/90/526774690.db2.gz QGDJDQHIHPKOBC-WOPDTQHZSA-N 0 0 324.343 2.234 10 30 DEEERN C=CCOCCNC(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000371633062 526778017 /nfs/dbraw/zinc/77/80/17/526778017.db2.gz LAQPDWFWBUOWIV-UHFFFAOYSA-N 0 0 318.352 2.013 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000341535379 526796546 /nfs/dbraw/zinc/79/65/46/526796546.db2.gz SMMHPUJVURUPTQ-YQQAZPJKSA-N 0 0 308.422 2.180 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc2c(cc1OC)OCO2 ZINC000437507011 526801004 /nfs/dbraw/zinc/80/10/04/526801004.db2.gz KEOKZXNKUWDMDM-ZBEGNZNMSA-N 0 0 319.357 2.135 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CC(O)(c2ccc(F)cc2)C1)OCC ZINC000375011124 526806087 /nfs/dbraw/zinc/80/60/87/526806087.db2.gz ARUBKWJMUIWABC-HNNXBMFYSA-N 0 0 307.365 2.227 10 30 DEEERN C=C(C)[C@H](CC(=O)NCc1cc(OC)c(O)c(OC)c1)OCC ZINC000339514246 526813069 /nfs/dbraw/zinc/81/30/69/526813069.db2.gz JHFDAZNOMCEXPI-ZDUSSCGKSA-N 0 0 323.389 2.397 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](O)CC[C@@H]1C ZINC000422130099 526826367 /nfs/dbraw/zinc/82/63/67/526826367.db2.gz UQEJDFYVVGACAG-STQMWFEESA-N 0 0 305.374 2.245 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCCC[C@H]2CC(N)=O)cc1 ZINC000343055955 526838177 /nfs/dbraw/zinc/83/81/77/526838177.db2.gz MXKPNBAUYMHAQE-AWEZNQCLSA-N 0 0 302.374 2.122 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC[C@@]23CCOC3)cc1OC ZINC000422086107 526842360 /nfs/dbraw/zinc/84/23/60/526842360.db2.gz HRKXNHCBJVYRQB-KRWDZBQOSA-N 0 0 303.358 2.265 10 30 DEEERN C=CCSCCNC(=O)NCC[C@H](OC)C(F)(F)F ZINC000344542116 526990903 /nfs/dbraw/zinc/99/09/03/526990903.db2.gz QBFVFQWMSMIYGK-VIFPVBQESA-N 0 0 300.346 2.172 10 30 DEEERN C=CCC(C)(C)C(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C ZINC000294682350 526996963 /nfs/dbraw/zinc/99/69/63/526996963.db2.gz MAKHUYNXVXJHJZ-UHFFFAOYSA-N 0 0 303.362 2.123 10 30 DEEERN C=CCSc1ccccc1NC(=O)CN1CC(=O)N(CC)C1 ZINC000191575238 527012181 /nfs/dbraw/zinc/01/21/81/527012181.db2.gz PKPUYMSTPJTFEF-UHFFFAOYSA-N 0 0 319.430 2.025 10 30 DEEERN C=CCC1(C(=O)NC[C@H](O)Cc2cccc(F)c2)CCOCC1 ZINC000424851514 527055529 /nfs/dbraw/zinc/05/55/29/527055529.db2.gz MQBFDDGASBXLCK-MRXNPFEDSA-N 0 0 321.392 2.218 10 30 DEEERN C=CCC1(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CCC1 ZINC000190595181 527058139 /nfs/dbraw/zinc/05/81/39/527058139.db2.gz TUKCYTFXZRUHFK-GFCCVEGCSA-N 0 0 322.430 2.258 10 30 DEEERN C=CCC1(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CCC1 ZINC000188082447 527058903 /nfs/dbraw/zinc/05/89/03/527058903.db2.gz GVAFXTSGVQIVID-AWEZNQCLSA-N 0 0 302.422 2.252 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000341848049 527062939 /nfs/dbraw/zinc/06/29/39/527062939.db2.gz UQBWAPIAWSABAL-GFCCVEGCSA-N 0 0 319.380 2.333 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000293350179 527086264 /nfs/dbraw/zinc/08/62/64/527086264.db2.gz BFSGUQZXXASCOI-INIZCTEOSA-N 0 0 321.392 2.218 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccccc1NCc1cccnc1 ZINC000192689018 527100513 /nfs/dbraw/zinc/10/05/13/527100513.db2.gz NYAIYKJONDGXCP-HNNXBMFYSA-N 0 0 311.385 2.361 10 30 DEEERN C#CCOc1cccc(NC(=O)N[C@@H](CC)[C@@H](O)C(F)F)c1 ZINC000296681477 527123904 /nfs/dbraw/zinc/12/39/04/527123904.db2.gz PRUZBYDUUMXDJS-QWHCGFSZSA-N 0 0 312.316 2.225 10 30 DEEERN C=CCCCCNC(=O)N(C)C1CCN(c2cnccn2)CC1 ZINC000369493975 527148015 /nfs/dbraw/zinc/14/80/15/527148015.db2.gz NIAUFCDNSYRYCC-UHFFFAOYSA-N 0 0 317.437 2.443 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](CCO)C(C)C ZINC000288045698 527161783 /nfs/dbraw/zinc/16/17/83/527161783.db2.gz DZGSRJXWLYZFHV-DLBZAZTESA-N 0 0 302.418 2.327 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCC[C@@H](C)CCO ZINC000297572989 527162315 /nfs/dbraw/zinc/16/23/15/527162315.db2.gz BZHIACRFMYSGKQ-WBVHZDCISA-N 0 0 302.418 2.329 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCOCC2(CC2)C1 ZINC000377257289 527173116 /nfs/dbraw/zinc/17/31/16/527173116.db2.gz WRCOVMUIYOTJOY-QGZVFWFLSA-N 0 0 312.413 2.443 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@@H](C)Cc1cccc(OC)c1 ZINC000341799721 527174274 /nfs/dbraw/zinc/17/42/74/527174274.db2.gz HCYUIVVVUVQKRQ-ZFWWWQNUSA-N 0 0 306.406 2.110 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@@H](C)c1ncc(C)s1 ZINC000344301653 527177629 /nfs/dbraw/zinc/17/76/29/527177629.db2.gz UDQXRQCLOPATKT-LLVKDONJSA-N 0 0 309.435 2.096 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCc1ccc(F)c(F)c1 ZINC000286131673 527177708 /nfs/dbraw/zinc/17/77/08/527177708.db2.gz HHHFWDQABBNNCP-UHFFFAOYSA-N 0 0 310.344 2.048 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000192025983 527179743 /nfs/dbraw/zinc/17/97/43/527179743.db2.gz OAANTJTYEWFLGN-GFCCVEGCSA-N 0 0 304.394 2.217 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000360502244 527193825 /nfs/dbraw/zinc/19/38/25/527193825.db2.gz CQNATWLUPOCSMD-UHFFFAOYSA-N 0 0 310.419 2.256 10 30 DEEERN C=CCCCN(C)c1nnc(COCC)n1C[C@H]1CCCO1 ZINC000339023153 527196091 /nfs/dbraw/zinc/19/60/91/527196091.db2.gz YFTYZXFKEWJKGR-CQSZACIVSA-N 0 0 308.426 2.396 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000183333996 527196599 /nfs/dbraw/zinc/19/65/99/527196599.db2.gz BDWBHHPYHAUGGI-LLVKDONJSA-N 0 0 311.451 2.219 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC ZINC000337069685 527206327 /nfs/dbraw/zinc/20/63/27/527206327.db2.gz MFNKVVMAYBHLMX-QWHCGFSZSA-N 0 0 316.405 2.378 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000337077019 527209096 /nfs/dbraw/zinc/20/90/96/527209096.db2.gz RDXBLGIOCKPQFY-OAHLLOKOSA-N 0 0 324.384 2.131 10 30 DEEERN C=CC[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000182661749 527212415 /nfs/dbraw/zinc/21/24/15/527212415.db2.gz YDJONBUDOJOEHC-CYBMUJFWSA-N 0 0 319.361 2.180 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000412810756 527221535 /nfs/dbraw/zinc/22/15/35/527221535.db2.gz BAVZBAWSQDPYDE-CYBMUJFWSA-N 0 0 314.345 2.246 10 30 DEEERN CC(=O)c1ccc(C#N)cc1NC[C@@H](C)N1CCOC[C@@H]1C ZINC000302105418 527231581 /nfs/dbraw/zinc/23/15/81/527231581.db2.gz NIDLVZIZPGNOBC-OLZOCXBDSA-N 0 0 301.390 2.282 10 30 DEEERN C=CCc1cc(C(=O)N2C[C@H](O)C3(CC3)C2)cc(OC)c1OC ZINC000368751008 527232067 /nfs/dbraw/zinc/23/20/67/527232067.db2.gz QTVCBYWBWNCFEU-HNNXBMFYSA-N 0 0 317.385 2.029 10 30 DEEERN C#C[C@@H](NC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1)C(C)C ZINC000282153073 527281191 /nfs/dbraw/zinc/28/11/91/527281191.db2.gz HVWRMKAVUHHSRV-CZUORRHYSA-N 0 0 311.389 2.285 10 30 DEEERN C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC000350729881 527289357 /nfs/dbraw/zinc/28/93/57/527289357.db2.gz OHOLAXARYDFTID-JSGCOSHPSA-N 0 0 317.437 2.371 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN2C[C@@H](C(N)=O)CC[C@H]2C)c1C ZINC000247337708 527295972 /nfs/dbraw/zinc/29/59/72/527295972.db2.gz NJPAODFPVJNLGH-DOMZBBRYSA-N 0 0 317.433 2.059 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000410780016 527300786 /nfs/dbraw/zinc/30/07/86/527300786.db2.gz OHHBNDAXQOXDDZ-SFHVURJKSA-N 0 0 300.402 2.211 10 30 DEEERN C=CCn1c(CC(C)C)nnc1N(C[C@@H]1CCC(=O)N1)C(C)C ZINC000414518795 527311071 /nfs/dbraw/zinc/31/10/71/527311071.db2.gz SVIKZTUFOXQRLH-AWEZNQCLSA-N 0 0 319.453 2.156 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000337845499 527321253 /nfs/dbraw/zinc/32/12/53/527321253.db2.gz HDFAKZJBMIJNLK-GASCZTMLSA-N 0 0 314.389 2.210 10 30 DEEERN C=CCCOCCCCC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000342874915 527333377 /nfs/dbraw/zinc/33/33/77/527333377.db2.gz UGZJYCOWGJDEHP-CYBMUJFWSA-N 0 0 309.328 2.275 10 30 DEEERN C=CCCOCCNC(=O)C(=O)NCC(C)(C)C1=CCCCC1 ZINC000341995422 527340243 /nfs/dbraw/zinc/34/02/43/527340243.db2.gz JZIGHQFYZDDRGE-UHFFFAOYSA-N 0 0 322.449 2.338 10 30 DEEERN C=CCCOCCNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000155452142 527362716 /nfs/dbraw/zinc/36/27/16/527362716.db2.gz XOBHQZXVUVEPQO-LSDHHAIUSA-N 0 0 317.385 2.270 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NCC(=O)C1CCC(F)(F)CC1 ZINC000424882629 527376665 /nfs/dbraw/zinc/37/66/65/527376665.db2.gz WEPAQHCUUQHONR-NSHDSACASA-N 0 0 303.349 2.478 10 30 DEEERN C=CCCO[C@@H](C)C(=O)Nc1cn(C)nc1-c1ccccn1 ZINC000378148044 527386132 /nfs/dbraw/zinc/38/61/32/527386132.db2.gz XHQTZVHHVHOUPU-LBPRGKRZSA-N 0 0 300.362 2.402 10 30 DEEERN CC(=O)c1cccc(S(=O)(=O)N(C[C@H](C)C#N)C2CC2)c1 ZINC000338325861 527388242 /nfs/dbraw/zinc/38/82/42/527388242.db2.gz RGDCJPHWGRGNDJ-LLVKDONJSA-N 0 0 306.387 2.202 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000372024331 527393827 /nfs/dbraw/zinc/39/38/27/527393827.db2.gz FFZJIZOKXBQICM-CABCVRRESA-N 0 0 322.405 2.390 10 30 DEEERN C=CCCO[C@H](C)C(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000447679201 527403065 /nfs/dbraw/zinc/40/30/65/527403065.db2.gz CHSFOHPZOVWARM-GFCCVEGCSA-N 0 0 320.389 2.492 10 30 DEEERN C#Cc1ccccc1CC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000292673693 527462024 /nfs/dbraw/zinc/46/20/24/527462024.db2.gz BEQZTKRLNIHNHZ-JZXOWHBKSA-N 0 0 311.381 2.011 10 30 DEEERN C=CCC[C@H](NC(=O)[C@H](O)Cc1cnn(C)c1)c1ccccc1 ZINC000345893458 527480823 /nfs/dbraw/zinc/48/08/23/527480823.db2.gz SWEIPZWHIALMOA-DLBZAZTESA-N 0 0 313.401 2.147 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(SC)cc1 ZINC000425785341 527491583 /nfs/dbraw/zinc/49/15/83/527491583.db2.gz OHASTOBDMQNWHE-FZMZJTMJSA-N 0 0 320.414 2.054 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000424898718 527497098 /nfs/dbraw/zinc/49/70/98/527497098.db2.gz BKQWUQKWMQGSEW-BONVTDFDSA-N 0 0 315.329 2.397 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(OCCOC)cc1 ZINC000424934570 527498148 /nfs/dbraw/zinc/49/81/48/527498148.db2.gz VUPXSCPFGGCUKK-HOCLYGCPSA-N 0 0 305.374 2.033 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc(C(=O)CC)c1 ZINC000425177116 527498883 /nfs/dbraw/zinc/49/88/83/527498883.db2.gz DUFRVUWWUGOGNR-BBRMVZONSA-N 0 0 323.414 2.149 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NCC[C@H]1CCOC1 ZINC000337650830 527501014 /nfs/dbraw/zinc/50/10/14/527501014.db2.gz LBPOXNPNVKCWGA-AWEZNQCLSA-N 0 0 316.401 2.287 10 30 DEEERN C=CCN(C(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2)C1CC1 ZINC000435027073 527531040 /nfs/dbraw/zinc/53/10/40/527531040.db2.gz DFYMGVSRQDGMQO-JTQLQIEISA-N 0 0 319.430 2.383 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCc1cc(OC)c(O)c(OC)c1 ZINC000438150129 527532369 /nfs/dbraw/zinc/53/23/69/527532369.db2.gz IKYZFLPMWFNEII-KRWDZBQOSA-N 0 0 323.389 2.254 10 30 DEEERN C=CCN(C(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1)C1CC1 ZINC000357508748 527536088 /nfs/dbraw/zinc/53/60/88/527536088.db2.gz FCMBRMJWNKJDTB-QGZVFWFLSA-N 0 0 316.401 2.440 10 30 DEEERN C=C[C@H](C)NC(=O)N[C@H](c1nccn1C)c1ccc(OC)cc1 ZINC000362370307 527564155 /nfs/dbraw/zinc/56/41/55/527564155.db2.gz KKZGRCQFVJFXPQ-WFASDCNBSA-N 0 0 314.389 2.392 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000426073489 527600885 /nfs/dbraw/zinc/60/08/85/527600885.db2.gz PYDZFNXJACVBAY-GJZGRUSLSA-N 0 0 317.437 2.139 10 30 DEEERN C=C[C@](C)(O)CC(=O)N[C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000356053018 527637263 /nfs/dbraw/zinc/63/72/63/527637263.db2.gz MZCRSHXUQDNHBC-RISCZKNCSA-N 0 0 322.371 2.093 10 30 DEEERN CCCC(=O)NCC(=O)Nc1n[nH]c(-c2ccc(C)cc2)n1 ZINC000077442068 527920477 /nfs/dbraw/zinc/92/04/77/527920477.db2.gz HKZXCULBRUGZPS-UHFFFAOYSA-N 0 0 301.350 2.284 10 30 DEEERN CC(C)O[C@@H]1C[C@H](NC(=O)N2CCc3cncnc3C2)C1(C)C ZINC000329636223 528061771 /nfs/dbraw/zinc/06/17/71/528061771.db2.gz UYJNSEQCVCPMFP-LSDHHAIUSA-N 0 0 318.421 2.341 10 30 DEEERN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)CC#N ZINC000375447198 528116266 /nfs/dbraw/zinc/11/62/66/528116266.db2.gz IUDAEEFQKYRDCZ-QGZVFWFLSA-N 0 0 300.358 2.067 10 30 DEEERN CCN(CCC#N)C(=O)CN1CCCC[C@@H]1c1nccs1 ZINC000195370674 528359011 /nfs/dbraw/zinc/35/90/11/528359011.db2.gz NUGYNUMHAVCEIE-CYBMUJFWSA-N 0 0 306.435 2.432 10 30 DEEERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000181648060 528409973 /nfs/dbraw/zinc/40/99/73/528409973.db2.gz ISFIMXDWWDJYKS-NWDGAFQWSA-N 0 0 303.362 2.077 10 30 DEEERN CC(C)c1nnc2n1CCN(C(=O)NCC1(CC#N)CC1)[C@H]2C ZINC000374020656 528472146 /nfs/dbraw/zinc/47/21/46/528472146.db2.gz ZJXSCCFKKDGYMX-LBPRGKRZSA-N 0 0 316.409 2.182 10 30 DEEERN CC(C)[C@@H](O)C1(CNC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000440983617 528610067 /nfs/dbraw/zinc/61/00/67/528610067.db2.gz KNIRFUDJLPOSJW-YMAMQOFZSA-N 0 0 307.438 2.413 10 30 DEEERN CC(=O)Nc1ccccc1CC(=O)N1CC2(C1)CCCOC2 ZINC000329485689 528746805 /nfs/dbraw/zinc/74/68/05/528746805.db2.gz XEIBCWANZFAWCQ-UHFFFAOYSA-N 0 0 302.374 2.476 10 30 DEEERN CCOC(=O)CN(Cc1ccc(C#N)c(OC)c1)C1CCC1 ZINC000442833735 528803777 /nfs/dbraw/zinc/80/37/77/528803777.db2.gz IEBSXKZQDQBUEL-UHFFFAOYSA-N 0 0 302.374 2.484 10 30 DEEERN CC1(C)CCCN(CC(=O)Nc2ccc3c(c2)OCO3)[C@@H]1C#N ZINC000444729322 528933843 /nfs/dbraw/zinc/93/38/43/528933843.db2.gz GWPAVKPLQNSVPH-OAHLLOKOSA-N 0 0 315.373 2.368 10 30 DEEERN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N1CCO[C@@H](C#N)C1 ZINC000247776368 528949008 /nfs/dbraw/zinc/94/90/08/528949008.db2.gz QSFXSMXHRQLPNZ-WBVHZDCISA-N 0 0 315.417 2.036 10 30 DEEERN COC(=O)c1cc(NC(=O)c2ccnc(C#N)c2)c(F)cc1F ZINC000193474669 536562843 /nfs/dbraw/zinc/56/28/43/536562843.db2.gz NTFHKPQJWGGDLE-UHFFFAOYSA-N 0 0 317.251 2.270 10 30 DEEERN COc1ccc(NC(C)=O)c(NC(=O)c2ccnc(C#N)c2)c1 ZINC000192852570 536814204 /nfs/dbraw/zinc/81/42/04/536814204.db2.gz MXLJCNZMAGFYMD-UHFFFAOYSA-N 0 0 310.313 2.173 10 30 DEEERN COc1cccc(C(N)=O)c1OCc1ccc(C#N)c(F)c1 ZINC000189982090 537092454 /nfs/dbraw/zinc/09/24/54/537092454.db2.gz NGXMKRFABBVHOR-UHFFFAOYSA-N 0 0 300.289 2.384 10 30 DEEERN O=C1c2ccccc2CS(=O)(=O)N1CC#Cc1ccccc1 ZINC000187924551 622939612 /nfs/dbraw/zinc/93/96/12/622939612.db2.gz JVKMFTARRUSPMT-UHFFFAOYSA-N 0 0 311.362 2.024 10 30 DEEERN C#CCN(C(=O)NC1CCC(C(=O)OC)CC1)C1CCCC1 ZINC000120665538 623007710 /nfs/dbraw/zinc/00/77/10/623007710.db2.gz IZXULTVGNNQEPT-UHFFFAOYSA-N 0 0 306.406 2.306 10 30 DEEERN COC(=O)CCCCCNC(=O)/C=C\c1ccccc1C#N ZINC000255137857 623570820 /nfs/dbraw/zinc/57/08/20/623570820.db2.gz BGQODPKWMYBYAH-KHPPLWFESA-N 0 0 300.358 2.421 10 30 DEEERN N#C[C@]1(NC(=O)c2coc(Br)c2)CCSC1 ZINC000077036029 624069658 /nfs/dbraw/zinc/06/96/58/624069658.db2.gz CYBMGTSLLWDXBO-SNVBAGLBSA-N 0 0 301.165 2.171 10 30 DEEERN Cc1cc([N+](=O)[O-])cn(CCCOc2ccc(C#N)cc2)c1=O ZINC000155803196 624830540 /nfs/dbraw/zinc/83/05/40/624830540.db2.gz DEKREULIPQQJRV-UHFFFAOYSA-N 0 0 313.313 2.406 10 30 DEEERN C=C(C)[C@H]1CC=C(COC(=O)CCC(=O)N2CCOCC2)CC1 ZINC000177693412 625063458 /nfs/dbraw/zinc/06/34/58/625063458.db2.gz VEJNINRUTQNOAX-INIZCTEOSA-N 0 0 321.417 2.471 10 30 DEEERN CC(C)[C@H](C)CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000177889733 625103932 /nfs/dbraw/zinc/10/39/32/625103932.db2.gz QNWDKUMKMKOFSW-LLVKDONJSA-N 0 0 321.352 2.075 10 30 DEEERN C#CCOCCC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000161805211 625189809 /nfs/dbraw/zinc/18/98/09/625189809.db2.gz QCKJAIJDSNNTFQ-UHFFFAOYSA-N 0 0 313.313 2.430 10 30 DEEERN C#CCCCCC(=O)OC[C@H]1CCCN1c1ccc(C)nn1 ZINC000180762971 625223633 /nfs/dbraw/zinc/22/36/33/625223633.db2.gz TWXHJJKFJYMOSB-OAHLLOKOSA-N 0 0 301.390 2.491 10 30 DEEERN CC(C)[C@H](C#N)OC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000176797765 625237220 /nfs/dbraw/zinc/23/72/20/625237220.db2.gz IQMIMAFUYZTULY-KBPBESRZSA-N 0 0 307.394 2.006 10 30 DEEERN Cn1ccnc1C(=O)C(C#N)=C(O)C=Cc1ccnc(Cl)c1 ZINC000181321480 625266043 /nfs/dbraw/zinc/26/60/43/625266043.db2.gz KBDLXUZSXOGRIY-KXMPLOMGSA-N 0 0 314.732 2.073 10 30 DEEERN C=C(COC(=O)CCc1nc2ccccc2o1)C(=O)OCC ZINC000734027344 633312861 /nfs/dbraw/zinc/31/28/61/633312861.db2.gz KEYSGCYDXBHIOP-UHFFFAOYSA-N 0 0 303.314 2.423 10 30 DEEERN C=C(COC(=O)c1cc(Br)c[nH]1)C(=O)OCC ZINC000734026873 633313112 /nfs/dbraw/zinc/31/31/12/633313112.db2.gz CAEXTKNNGLDMNP-UHFFFAOYSA-N 0 0 302.124 2.053 10 30 DEEERN C=C(COC(=O)c1c[nH]nc1-c1ccccc1)C(=O)OCC ZINC000734028307 633313212 /nfs/dbraw/zinc/31/32/12/633313212.db2.gz FSOVSRNAKCAENQ-UHFFFAOYSA-N 0 0 300.314 2.353 10 30 DEEERN N#C[C@@H]1CN(C(=O)NCc2coc3ccccc23)CCN1C1CC1 ZINC000734013857 633315858 /nfs/dbraw/zinc/31/58/58/633315858.db2.gz XUSYTPQMAKRSOC-OAHLLOKOSA-N 0 0 324.384 2.315 10 30 DEEERN N#CCOc1ccc(Cl)cc1COC(=O)c1cnsn1 ZINC000735345536 633503985 /nfs/dbraw/zinc/50/39/85/633503985.db2.gz UAMGUYLOSIBSEH-UHFFFAOYSA-N 0 0 309.734 2.451 10 30 DEEERN C=CCNC(=S)NNc1nc(-c2cccnc2)nc(C)c1C ZINC000735983596 633558944 /nfs/dbraw/zinc/55/89/44/633558944.db2.gz CCKHOSUIJHLPBR-UHFFFAOYSA-N 0 0 314.418 2.132 10 30 DEEERN C=CCOC(=O)CSc1nnc(C)n1Cc1ccccc1 ZINC000073411911 633826750 /nfs/dbraw/zinc/82/67/50/633826750.db2.gz LHKNAHHCRZKVOP-UHFFFAOYSA-N 0 0 303.387 2.456 10 30 DEEERN Cc1noc([C@H]2CCN(C(=O)Nc3cc(C#N)ccc3F)C2)n1 ZINC000888367731 633849643 /nfs/dbraw/zinc/84/96/43/633849643.db2.gz OTDRVYDPXAITPB-NSHDSACASA-N 0 0 315.308 2.410 10 30 DEEERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2cc(C#N)n(C)c2)C1 ZINC000888102696 635562936 /nfs/dbraw/zinc/56/29/36/635562936.db2.gz GVOXXXOOJMLPEN-CVEARBPZSA-N 0 0 313.405 2.199 10 30 DEEERN C#Cc1cccc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)c1 ZINC000074043310 636650262 /nfs/dbraw/zinc/65/02/62/636650262.db2.gz KRIFXMDEDLQPJH-FUHWJXTLSA-N 0 0 319.364 2.221 10 30 DEEERN C#CCCOC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000727042813 637596733 /nfs/dbraw/zinc/59/67/33/637596733.db2.gz SANGNKXWZPQGAO-CYBMUJFWSA-N 0 0 305.761 2.255 10 30 DEEERN COc1cc2c(cc1OC)C(=NNc1ccc(C)cn1)C(=O)N2 ZINC000727259508 637798091 /nfs/dbraw/zinc/79/80/91/637798091.db2.gz HWMIENCNXKBJRU-UHFFFAOYSA-N 0 0 312.329 2.176 10 30 DEEERN C=CCCO[C@@H](C)C(=O)O[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000740237406 637829449 /nfs/dbraw/zinc/82/94/49/637829449.db2.gz HKVCPWXTZAHEJD-WFASDCNBSA-N 0 0 317.341 2.297 10 30 DEEERN C=CCCOCC(=O)OCC1CCN(CC(F)(F)F)CC1 ZINC000741116894 637941056 /nfs/dbraw/zinc/94/10/56/637941056.db2.gz CKOGQGDHNXMQGQ-UHFFFAOYSA-N 0 0 309.328 2.397 10 30 DEEERN N#CCOc1ccc(Cl)cc1CN1CCC2(C1)OCCO2 ZINC000741778567 638010504 /nfs/dbraw/zinc/01/05/04/638010504.db2.gz FIJKZJITIDQOAN-UHFFFAOYSA-N 0 0 308.765 2.191 10 30 DEEERN C#Cc1ccc(C(=O)NC[C@@H](C(=O)OCC)c2ccccc2)nc1 ZINC000742105328 638036051 /nfs/dbraw/zinc/03/60/51/638036051.db2.gz FNOJNGZNKMRIJL-MRXNPFEDSA-N 0 0 322.364 2.140 10 30 DEEERN C[C@H]1CC(Nc2ccc(S(N)(=O)=O)cc2C#N)C[C@H](C)C1 ZINC000742408939 638069076 /nfs/dbraw/zinc/06/90/76/638069076.db2.gz HUSIVJULFLLGLW-GHMZBOCLSA-N 0 0 307.419 2.442 10 30 DEEERN CC[S@@](=O)CCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000742406256 638069248 /nfs/dbraw/zinc/06/92/48/638069248.db2.gz IHECPONXAHFDTK-JOCHJYFZSA-N 0 0 318.358 2.195 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N(C)Cc1cc[nH]n1 ZINC000743198174 638123936 /nfs/dbraw/zinc/12/39/36/638123936.db2.gz NIIGETNFVOJUSK-UHFFFAOYSA-N 0 0 302.309 2.225 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N(C)C[C@H]1CCCO1 ZINC000743194424 638124215 /nfs/dbraw/zinc/12/42/15/638124215.db2.gz JIWFDMHZPRPAJU-CYBMUJFWSA-N 0 0 306.337 2.480 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N(C)Cc1cc[nH]n1 ZINC000743203143 638125112 /nfs/dbraw/zinc/12/51/12/638125112.db2.gz XEJVPWBPCYHEIF-UHFFFAOYSA-N 0 0 302.309 2.225 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)O[C@H]3CCSC3)cc2C1=O ZINC000727772147 638330684 /nfs/dbraw/zinc/33/06/84/638330684.db2.gz AKLOSALJBBKFJY-NSHDSACASA-N 0 0 317.366 2.131 10 30 DEEERN C#CCCN1CCN(C(=O)c2ccc(F)c(CSC)c2)CC1 ZINC000746591903 638360924 /nfs/dbraw/zinc/36/09/24/638360924.db2.gz GHBRWSHYIRCRKN-UHFFFAOYSA-N 0 0 320.433 2.470 10 30 DEEERN CCOCCCCNC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746709650 638371803 /nfs/dbraw/zinc/37/18/03/638371803.db2.gz DQRJLHCHLZPXRT-UHFFFAOYSA-N 0 0 305.378 2.183 10 30 DEEERN COc1ccc(CNC(=O)NCc2nccs2)cc1C#N ZINC000746714926 638372794 /nfs/dbraw/zinc/37/27/94/638372794.db2.gz PISDIDRBFWMVCD-UHFFFAOYSA-N 0 0 302.359 2.023 10 30 DEEERN COc1ccc(CNC(=O)NCCc2cscn2)cc1C#N ZINC000746768050 638376923 /nfs/dbraw/zinc/37/69/23/638376923.db2.gz HEXRLQZRUNBGMX-UHFFFAOYSA-N 0 0 316.386 2.065 10 30 DEEERN COc1ccc(CNC(=O)Cc2ccc3c(c2)OCO3)cc1C#N ZINC000746868037 638382682 /nfs/dbraw/zinc/38/26/82/638382682.db2.gz KZQYQDXXXXZXTN-UHFFFAOYSA-N 0 0 324.336 2.154 10 30 DEEERN COc1ccc(CNC(=O)NCc2cccc(F)n2)cc1C#N ZINC000747985862 638498076 /nfs/dbraw/zinc/49/80/76/638498076.db2.gz KHJFQEZFTHXVOB-UHFFFAOYSA-N 0 0 314.320 2.100 10 30 DEEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@@H]1C[C@H]2CC[C@H]1O2 ZINC000329431028 638635268 /nfs/dbraw/zinc/63/52/68/638635268.db2.gz HRTNLRPPCYLMRF-CBLPJQPBSA-N 0 0 309.410 2.344 10 30 DEEERN C=CC[C@@H](NC(=O)C(=O)Nc1cc(CC)on1)c1ccncc1 ZINC000749727135 638675409 /nfs/dbraw/zinc/67/54/09/638675409.db2.gz VXXVIYBDNRKAHO-CYBMUJFWSA-N 0 0 314.345 2.004 10 30 DEEERN C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)Cc2cccc(C#N)c2)C1 ZINC000750431678 638743593 /nfs/dbraw/zinc/74/35/93/638743593.db2.gz VUKAGANQTCQYEN-OKILXGFUSA-N 0 0 314.385 2.148 10 30 DEEERN C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)Cc1cccc(C#N)c1 ZINC000750432964 638745042 /nfs/dbraw/zinc/74/50/42/638745042.db2.gz RBNINJDCLRYRHB-BBRMVZONSA-N 0 0 314.385 2.339 10 30 DEEERN C[C@H]1CCCC[C@H]1NC(=O)COC(=O)Cc1cccc(C#N)c1 ZINC000750432967 638745222 /nfs/dbraw/zinc/74/52/22/638745222.db2.gz RBNINJDCLRYRHB-XJKSGUPXSA-N 0 0 314.385 2.339 10 30 DEEERN COC(=O)[C@@H](OC(=O)CCOCC(C)C)c1cccc(C#N)c1 ZINC000751647587 639101682 /nfs/dbraw/zinc/10/16/82/639101682.db2.gz UEDGPPAQSSGJTK-INIZCTEOSA-N 0 0 319.357 2.378 10 30 DEEERN C#CCN(CC#C)S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000751970749 639142195 /nfs/dbraw/zinc/14/21/95/639142195.db2.gz JKDWGCXRIBRYFY-UHFFFAOYSA-N 0 0 317.410 2.173 10 30 DEEERN C#CCN(CC#C)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000752074462 639153710 /nfs/dbraw/zinc/15/37/10/639153710.db2.gz BTKOREKRUFDRHA-UHFFFAOYSA-N 0 0 317.454 2.326 10 30 DEEERN C[C@H](NC(=O)Cc1cccc(C#N)c1)C(=O)OC1CCCC1 ZINC000752368732 639176641 /nfs/dbraw/zinc/17/66/41/639176641.db2.gz MHUFMJXMTJENEJ-LBPRGKRZSA-N 0 0 300.358 2.091 10 30 DEEERN C#CCOc1ccc(C(=O)N[C@@H](CC2CC2)C(=O)OCC)cc1 ZINC000752382608 639177604 /nfs/dbraw/zinc/17/76/04/639177604.db2.gz GGBIKEHOXAJLNV-INIZCTEOSA-N 0 0 315.369 2.160 10 30 DEEERN C=CC[C@H](CO)CNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000752755083 639216531 /nfs/dbraw/zinc/21/65/31/639216531.db2.gz RXBRXRFBFPDZED-SRXBQZRASA-N 0 0 304.346 2.299 10 30 DEEERN C#CCCCS(=O)(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000805031251 639260686 /nfs/dbraw/zinc/26/06/86/639260686.db2.gz YNWRYLBIIUCYOJ-XJKCOSOUSA-N 0 0 307.415 2.272 10 30 DEEERN C#CCCCS(=O)(=O)Oc1ccc(Cl)c2c1C(=O)OC2 ZINC000805083984 639568930 /nfs/dbraw/zinc/56/89/30/639568930.db2.gz FLHIVZNPAAETBV-UHFFFAOYSA-N 0 0 314.746 2.132 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)C(C)(C)C ZINC000805146632 639839854 /nfs/dbraw/zinc/83/98/54/639839854.db2.gz IWLWDBIIQXHWLH-AWEZNQCLSA-N 0 0 323.414 2.108 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1cc(F)c(F)c(F)c1)C(C)(C)C ZINC000805147054 639840964 /nfs/dbraw/zinc/84/09/64/639840964.db2.gz QPRORIFYLKVQHY-LLVKDONJSA-N 0 0 305.321 2.430 10 30 DEEERN C#Cc1ccc(C(=O)OCC(=O)Nc2cc(F)cc(F)c2)cn1 ZINC000729030367 639949634 /nfs/dbraw/zinc/94/96/34/639949634.db2.gz GJSBXJUVIQUYLQ-UHFFFAOYSA-N 0 0 316.263 2.137 10 30 DEEERN COc1ccc(CNC(=O)c2ccc3oc(=O)[nH]c3c2)cc1C#N ZINC000805192476 640142674 /nfs/dbraw/zinc/14/26/74/640142674.db2.gz GOPPENHCDRNBCY-UHFFFAOYSA-N 0 0 323.308 2.344 10 30 DEEERN C#Cc1ccc(C(=O)NCCOc2ccc(F)cc2F)nc1 ZINC000730184259 641592393 /nfs/dbraw/zinc/59/23/93/641592393.db2.gz USKTXWYOTFWXBT-UHFFFAOYSA-N 0 0 302.280 2.150 10 30 DEEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCCOC1CCC1 ZINC000805528889 641983030 /nfs/dbraw/zinc/98/30/30/641983030.db2.gz XZRVNPBEEXQUEG-INIZCTEOSA-N 0 0 311.378 2.360 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN2CCO[C@H](C(F)F)C2)c1C ZINC000801567488 645418154 /nfs/dbraw/zinc/41/81/54/645418154.db2.gz LMHQDJLUCFEXMA-HNNXBMFYSA-N 0 0 312.360 2.440 10 30 DEEERN C=CCCOC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O ZINC000103649522 645419072 /nfs/dbraw/zinc/41/90/72/645419072.db2.gz DHOBKDVPVPYRQG-CQSZACIVSA-N 0 0 301.342 2.427 10 30 DEEERN CCOc1ccc(C(=O)OCCO[C@@H](C)C#N)cc1[N+](=O)[O-] ZINC000801818379 645443094 /nfs/dbraw/zinc/44/30/94/645443094.db2.gz UZOWXGQASYFOOD-JTQLQIEISA-N 0 0 308.290 2.079 10 30 DEEERN COCCn1c(CC2CC2)nnc1N1CCC(C)(C#N)CC1 ZINC000802437865 645525686 /nfs/dbraw/zinc/52/56/86/645525686.db2.gz VLRUHKLFZYOKNY-UHFFFAOYSA-N 0 0 303.410 2.007 10 30 DEEERN C#C[C@@H](C)Oc1ccc(COC(=O)C2(C(=O)OCC)CC2)cc1 ZINC000802810961 645562363 /nfs/dbraw/zinc/56/23/63/645562363.db2.gz RUXQXXVLFUICOD-CYBMUJFWSA-N 0 0 316.353 2.474 10 30 DEEERN C=C(C)CCOC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000803290824 645631086 /nfs/dbraw/zinc/63/10/86/645631086.db2.gz VVQVFMSLMRTYGY-UHFFFAOYSA-N 0 0 315.366 2.199 10 30 DEEERN N#Cc1ccc(C(=O)NCC(=O)OC[C@H]2Cc3ccccc32)cc1 ZINC000803334812 645635916 /nfs/dbraw/zinc/63/59/16/645635916.db2.gz OBCSUZHNWXVKIS-MRXNPFEDSA-N 0 0 320.348 2.171 10 30 DEEERN C=C(C)CCOC(=O)c1cc(Cl)sc1S(N)(=O)=O ZINC000803517196 645667533 /nfs/dbraw/zinc/66/75/33/645667533.db2.gz CQBQFBWKTZNEQD-UHFFFAOYSA-N 0 0 309.796 2.172 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000803699309 645681583 /nfs/dbraw/zinc/68/15/83/645681583.db2.gz YPJBWEIWKPABFJ-KRWDZBQOSA-N 0 0 309.365 2.306 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)c1nc(-c2cccnc2)no1 ZINC000803699764 645681631 /nfs/dbraw/zinc/68/16/31/645681631.db2.gz PDNIHFJRKIRXBI-GFCCVEGCSA-N 0 0 309.325 2.399 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000803698602 645681648 /nfs/dbraw/zinc/68/16/48/645681648.db2.gz CMFYVRMKDGDCFG-HNNXBMFYSA-N 0 0 311.381 2.240 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000803699310 645681652 /nfs/dbraw/zinc/68/16/52/645681652.db2.gz YPJBWEIWKPABFJ-QGZVFWFLSA-N 0 0 309.365 2.306 10 30 DEEERN C=CCN(CC=C)C(=O)COC(=O)c1cnc(Cl)c(F)c1 ZINC000803827397 645701632 /nfs/dbraw/zinc/70/16/32/645701632.db2.gz WUPUUAMSJZIIPA-UHFFFAOYSA-N 0 0 312.728 2.232 10 30 DEEERN C#CCSCCN1C(=O)N[C@@H](Cc2cccc(Cl)c2)C1=O ZINC000804173557 645735454 /nfs/dbraw/zinc/73/54/54/645735454.db2.gz XARDMGAFGXAFMF-ZDUSSCGKSA-N 0 0 322.817 2.169 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc2nnc(C)n2c1 ZINC000804452585 645772983 /nfs/dbraw/zinc/77/29/83/645772983.db2.gz IZYXVEATMRCAFU-QGZVFWFLSA-N 0 0 318.380 2.402 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)OC[C@H]1CCCO1 ZINC000804452144 645773275 /nfs/dbraw/zinc/77/32/75/645773275.db2.gz DDXIYNURUCTERX-CGTJXYLNSA-N 0 0 315.413 2.321 10 30 DEEERN C#Cc1cncc(C(=O)N[C@@H](CC(=O)OCC)c2ccccc2)c1 ZINC000806611059 645852977 /nfs/dbraw/zinc/85/29/77/645852977.db2.gz JOJADQBIZFSRRK-KRWDZBQOSA-N 0 0 322.364 2.487 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](CCO)CSC ZINC000806849087 645879624 /nfs/dbraw/zinc/87/96/24/645879624.db2.gz OKPDMAHFCVPUHR-JKSUJKDBSA-N 0 0 320.458 2.034 10 30 DEEERN C#CCCCNC(=O)C(=O)N[C@H](C)c1ccc2ncsc2c1 ZINC000806913051 645888138 /nfs/dbraw/zinc/88/81/38/645888138.db2.gz UDVZLQZPHBTYFN-LLVKDONJSA-N 0 0 315.398 2.003 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@](C)(O)c1cccc(Cl)c1 ZINC000807254183 645930914 /nfs/dbraw/zinc/93/09/14/645930914.db2.gz VDOSLGBFDSTOSY-KRWDZBQOSA-N 0 0 303.789 2.327 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccnc1C ZINC000807337250 645941570 /nfs/dbraw/zinc/94/15/70/645941570.db2.gz PLUKCYILMGZSFK-INIZCTEOSA-N 0 0 321.380 2.079 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000807410868 645947348 /nfs/dbraw/zinc/94/73/48/645947348.db2.gz YPZOGOYLHFSKJE-HKUYNNGSSA-N 0 0 313.372 2.071 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC000807467867 645954708 /nfs/dbraw/zinc/95/47/08/645954708.db2.gz IUFBXANDPOTMNV-KZNAEPCWSA-N 0 0 314.429 2.471 10 30 DEEERN C#CCCOC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000151307401 646334756 /nfs/dbraw/zinc/33/47/56/646334756.db2.gz UMELUFBKMRBUNP-JTQLQIEISA-N 0 0 312.291 2.475 10 30 DEEERN Cc1cc(C)n(CCOC(=O)[C@H](C)Oc2ccccc2C#N)n1 ZINC000170728132 646661934 /nfs/dbraw/zinc/66/19/34/646661934.db2.gz JMMXATBDRWYDDR-AWEZNQCLSA-N 0 0 313.357 2.382 10 30 DEEERN Cn1ncc2c1CC/C(=C/c1cnc3ccc(C#N)cn13)C2=O ZINC000172522698 646741154 /nfs/dbraw/zinc/74/11/54/646741154.db2.gz JLXOUSZEKLCODI-SDQBBNPISA-N 0 0 303.325 2.152 10 30 DEEERN C[C@H](CCOc1ccccc1)C(=O)[C@@H](C#N)C(=O)N1CCCC1 ZINC000173967549 646784629 /nfs/dbraw/zinc/78/46/29/646784629.db2.gz AYIDTOFDMBUIBQ-GDBMZVCRSA-N 0 0 314.385 2.423 10 30 DEEERN C[C@@H](CCOc1ccccc1)C(=O)[C@H](C#N)C(=O)N1CCCC1 ZINC000173967566 646784697 /nfs/dbraw/zinc/78/46/97/646784697.db2.gz AYIDTOFDMBUIBQ-HOCLYGCPSA-N 0 0 314.385 2.423 10 30 DEEERN C#CCCCNC(=O)N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000174126730 646791933 /nfs/dbraw/zinc/79/19/33/646791933.db2.gz QTEYORWCUGCBKB-KGLIPLIRSA-N 0 0 323.437 2.392 10 30 DEEERN C[C@@H](OC(=O)c1cc(C#N)cn1C)c1cn(-c2ccccc2)nn1 ZINC000151922119 647049238 /nfs/dbraw/zinc/04/92/38/647049238.db2.gz RQESJNVNURZUCX-GFCCVEGCSA-N 0 0 321.340 2.395 10 30 DEEERN C#C[C@H](OC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1)C1CC1 ZINC000152797980 647279327 /nfs/dbraw/zinc/27/93/27/647279327.db2.gz FJDVHKDNLOBUET-UHDQLFAASA-N 0 0 303.402 2.369 10 30 DEEERN C#CCOc1cccc(NC(=O)[C@@H]2CCCN2C(=O)C(C)C)c1 ZINC000730977586 647437530 /nfs/dbraw/zinc/43/75/30/647437530.db2.gz HJODLEQNQOIPPF-INIZCTEOSA-N 0 0 314.385 2.284 10 30 DEEERN CC(C)Nc1ncnc2c1ncn2CN(CC#N)C1CCCC1 ZINC000153390360 647444032 /nfs/dbraw/zinc/44/40/32/647444032.db2.gz QZTBTHWKOXJHOQ-UHFFFAOYSA-N 0 0 313.409 2.372 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000732650484 647635721 /nfs/dbraw/zinc/63/57/21/647635721.db2.gz SZSPXLHHKSWSOD-MRXNPFEDSA-N 0 0 311.385 2.064 10 30 DEEERN COc1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(Cl)c1 ZINC000732648747 647635732 /nfs/dbraw/zinc/63/57/32/647635732.db2.gz YJLXLHORSLOHBV-GFCCVEGCSA-N 0 0 319.792 2.161 10 30 DEEERN Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732673955 647640056 /nfs/dbraw/zinc/64/00/56/647640056.db2.gz CQMPZBNLPQJMEG-FUHWJXTLSA-N 0 0 324.428 2.364 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)c1cnn2ccc(C)nc12 ZINC000155180784 648204586 /nfs/dbraw/zinc/20/45/86/648204586.db2.gz HWNKUNARZVHLJS-UHFFFAOYSA-N 0 0 324.315 2.441 10 30 DEEERN C=C(Br)COC(=O)C1CCC(C(=O)OC)CC1 ZINC000179707449 648410577 /nfs/dbraw/zinc/41/05/77/648410577.db2.gz GQMHDSIPEBHTPL-UHFFFAOYSA-N 0 0 305.168 2.418 10 30 DEEERN C=CCOc1ccc(COC(=O)c2cc(C(N)=O)cn2C)cc1 ZINC000183578403 649113983 /nfs/dbraw/zinc/11/39/83/649113983.db2.gz JWOOZKFSBBKOAG-UHFFFAOYSA-N 0 0 314.341 2.046 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)c1ccc2nnn(C)c2c1 ZINC000184248484 649248358 /nfs/dbraw/zinc/24/83/58/649248358.db2.gz WKBXXVCXFKKHCI-UHFFFAOYSA-N 0 0 324.315 2.372 10 30 DEEERN C#CCCNC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1 ZINC000733247620 649463715 /nfs/dbraw/zinc/46/37/15/649463715.db2.gz VSYIDFZZFUYVRQ-LLVKDONJSA-N 0 0 308.378 2.025 10 30 DEEERN C#CCCNC(=O)NCCc1ccc(-n2nc(C)cc2C)cc1 ZINC000733342427 649548358 /nfs/dbraw/zinc/54/83/58/649548358.db2.gz XKBMCGVOTOAPHY-UHFFFAOYSA-N 0 0 310.401 2.354 10 30 DEEERN C#CCOc1cccc(COC(=O)CCOC[C@H]2CCCO2)c1 ZINC000107022199 651408310 /nfs/dbraw/zinc/40/83/10/651408310.db2.gz SCGAYBLVKBZQMX-QGZVFWFLSA-N 0 0 318.369 2.328 10 30 DEEERN C#CCOc1ccc(NC(=O)NCc2cccc(OC)n2)cc1 ZINC000108522493 651661602 /nfs/dbraw/zinc/66/16/02/651661602.db2.gz KDHDHKSYEAGXNQ-UHFFFAOYSA-N 0 0 311.341 2.424 10 30 DEEERN CCCCCCCCOCC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000121794641 684109733 /nfs/dbraw/zinc/10/97/33/684109733.db2.gz QVJONYIDJWEDMC-AWEZNQCLSA-N 0 0 319.467 2.009 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCC(C#N)CC2)C1 ZINC000124392956 684134771 /nfs/dbraw/zinc/13/47/71/684134771.db2.gz WQMFZRPSMYENGS-CQSZACIVSA-N 0 0 321.421 2.396 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NC[C@H](C)CC1(C)OCCO1 ZINC000124846411 684138936 /nfs/dbraw/zinc/13/89/36/684138936.db2.gz PQCQMYWJUOJZQN-GFCCVEGCSA-N 0 0 302.374 2.386 10 30 DEEERN CCC(=O)N1CC[C@@H](C(=O)OC[C@@H](C#N)Cc2ccccc2)C1 ZINC000124855655 684139208 /nfs/dbraw/zinc/13/92/08/684139208.db2.gz AIOYUYCBSCJWOS-HZPDHXFCSA-N 0 0 314.385 2.171 10 30 DEEERN Cn1cc(C#N)cc1C(=O)O[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000132616032 684210966 /nfs/dbraw/zinc/21/09/66/684210966.db2.gz ZEESKWUGHZOIOZ-AEGPPILISA-N 0 0 300.358 2.401 10 30 DEEERN CN(C[C@H]1CCCO1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000135312045 684234206 /nfs/dbraw/zinc/23/42/06/684234206.db2.gz AWUVNQLVNPSYSZ-GFCCVEGCSA-N 0 0 307.325 2.371 10 30 DEEERN C=CCC[C@H](OC(=O)CSc1nnnn1C1CC1)C1CC1 ZINC000159669448 684318646 /nfs/dbraw/zinc/31/86/46/684318646.db2.gz WZDXXYIFSSUTQB-LBPRGKRZSA-N 0 0 308.407 2.388 10 30 DEEERN C=C[C@](C)(CCOC)COC(=O)c1ccc(N2CCCC2)nn1 ZINC000187520101 684339268 /nfs/dbraw/zinc/33/92/68/684339268.db2.gz LCNAWFWYYYCSFB-QGZVFWFLSA-N 0 0 319.405 2.462 10 30 DEEERN C#CCCCC(=O)OCCN1CCN(Cc2ccsc2)CC1 ZINC000191278870 684424644 /nfs/dbraw/zinc/42/46/44/684424644.db2.gz CKKPZGCSWDXHLO-UHFFFAOYSA-N 0 0 320.458 2.212 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CCOC[C@@H]1C ZINC000193897274 685052279 /nfs/dbraw/zinc/05/22/79/685052279.db2.gz VHLKPDACYMIJBH-STQMWFEESA-N 0 0 302.374 2.214 10 30 DEEERN C=CCOc1ccc(C(=O)OCCc2cnccn2)cc1OC ZINC000194243656 685062192 /nfs/dbraw/zinc/06/21/92/685062192.db2.gz ZRSMIBZRHUHMNG-UHFFFAOYSA-N 0 0 314.341 2.450 10 30 DEEERN CO[C@H]1CC[C@@H]1N(C)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000724119712 777246174 /nfs/dbraw/zinc/24/61/74/777246174.db2.gz BZPICNRQCNQWII-RYUDHWBXSA-N 0 0 314.794 2.010 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NCC[C@@H]2CCCS2)s1 ZINC000715967450 792540864 /nfs/dbraw/zinc/54/08/64/792540864.db2.gz NEGBLKBLFHHHGZ-VIFPVBQESA-N 0 0 302.446 2.184 10 30 DEEERN C#CC[C@H](COC)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000716329271 792952258 /nfs/dbraw/zinc/95/22/58/792952258.db2.gz QGJGDOAALINSGR-SECBINFHSA-N 0 0 314.139 2.203 10 30 DEEERN N#Cc1cc(N2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])s1 ZINC000407141356 802179226 /nfs/dbraw/zinc/17/92/26/802179226.db2.gz JRZBEMOXAUKCBY-VIFPVBQESA-N 0 0 307.253 2.031 10 30 DEEERN CCN(CCC#N)C(=O)CN1CCC(Oc2ccccc2)CC1 ZINC000064795022 1079766699 /nfs/dbraw/zinc/76/66/99/1079766699.db2.gz PNORNJCQFMORLB-UHFFFAOYSA-N 0 0 315.417 2.292 10 30 DEEERN N#Cc1cc(Br)cn(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1=O ZINC000720884197 1086493419 /nfs/dbraw/zinc/49/34/19/1086493419.db2.gz ZAMWPGTYPACJCE-XDTLVQLUSA-N 0 0 323.190 2.440 10 30 DEEERN C#CC1(O)CCN(C(=O)CSc2ccccc2Cl)CC1 ZINC000708134500 1086677202 /nfs/dbraw/zinc/67/72/02/1086677202.db2.gz RONRIYAVQDFHSY-UHFFFAOYSA-N 0 0 309.818 2.419 10 30 DEEERN CCSCCCNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000719974248 1089423713 /nfs/dbraw/zinc/42/37/13/1089423713.db2.gz KYLGALDHAICPFH-UHFFFAOYSA-N 0 0 302.396 2.119 10 30 DEEERN COC(C)(C)[C@H](C)NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000720054296 1089445759 /nfs/dbraw/zinc/44/57/59/1089445759.db2.gz URBPRRFPCNYARZ-VIFPVBQESA-N 0 0 316.810 2.303 10 30 DEEERN CC(C)N(CC(F)F)S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720078817 1089457437 /nfs/dbraw/zinc/45/74/37/1089457437.db2.gz QIHNRKLLOKGVCH-UHFFFAOYSA-N 0 0 306.309 2.362 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)c1nc([C@H](C)c2cnccn2)no1 ZINC000624738824 365530943 /nfs/dbraw/zinc/53/09/43/365530943.db2.gz NISJKQCHIYSBGY-PWSUYJOCSA-N 0 0 301.350 2.155 10 30 DEEERN C=CCCCN(C)C(=O)CCc1c(C)nc2cc(=O)[nH]n2c1C ZINC000076650588 185028538 /nfs/dbraw/zinc/02/85/38/185028538.db2.gz UMVLXESIAIZEHU-UHFFFAOYSA-N 0 0 316.405 2.409 10 30 DEEERN Cc1cc(C)c(C#N)c(N[C@H]2CCCN(c3ncccn3)C2)n1 ZINC000076839950 185045920 /nfs/dbraw/zinc/04/59/20/185045920.db2.gz XXGYNCBSXXRFGR-AWEZNQCLSA-N 0 0 308.389 2.441 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)Cc1cscn1 ZINC000149502340 282104225 /nfs/dbraw/zinc/10/42/25/282104225.db2.gz CACQBOJQRUEOPU-LLVKDONJSA-N 0 0 301.371 2.441 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000278379418 214127371 /nfs/dbraw/zinc/12/73/71/214127371.db2.gz QKMDHVLVSRTDMZ-GHMZBOCLSA-N 0 0 303.284 2.365 10 30 DEEERN Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(C#N)cc1N ZINC000096601545 185384310 /nfs/dbraw/zinc/38/43/10/185384310.db2.gz NBPVRZHGUVEZNB-UHFFFAOYSA-N 0 0 305.334 2.389 10 30 DEEERN COc1ccc(Cn2nnc(-c3cccc(F)c3)n2)cc1C#N ZINC000162725803 197587944 /nfs/dbraw/zinc/58/79/44/197587944.db2.gz XBCZQSITLJXPSP-UHFFFAOYSA-N 0 0 309.304 2.408 10 30 DEEERN CC(C)C[C@@H](C)NC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000163010767 197606170 /nfs/dbraw/zinc/60/61/70/197606170.db2.gz FFGMMBRRGACWFR-CQSZACIVSA-N 0 0 315.421 2.219 10 30 DEEERN N#Cc1ccc(NC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000163049749 197609593 /nfs/dbraw/zinc/60/95/93/197609593.db2.gz KMWBOIRYYFAYAI-KOLCDFICSA-N 0 0 320.780 2.377 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1COc2ccc(C)cc21 ZINC000612469803 361837078 /nfs/dbraw/zinc/83/70/78/361837078.db2.gz GHKHOQWYSPSFNY-LSDHHAIUSA-N 0 0 302.374 2.016 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000612560360 361861058 /nfs/dbraw/zinc/86/10/58/361861058.db2.gz ODVGTKLAQMEZRT-SNVBAGLBSA-N 0 0 312.753 2.185 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000612604845 361872114 /nfs/dbraw/zinc/87/21/14/361872114.db2.gz XNYURUFUVNYXNB-CABCVRRESA-N 0 0 308.422 2.065 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(-c2nncn2C)c1 ZINC000278639121 214293443 /nfs/dbraw/zinc/29/34/43/214293443.db2.gz YXHMAHGCXHEVPI-HUUCEWRRSA-N 0 0 312.373 2.402 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000278727377 214357983 /nfs/dbraw/zinc/35/79/83/214357983.db2.gz CVFHRQDXKQEFLE-HNNXBMFYSA-N 0 0 312.388 2.431 10 30 DEEERN CC[C@@H](CC#N)NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000183973045 529447176 /nfs/dbraw/zinc/44/71/76/529447176.db2.gz LDCYPQWVWSKDGY-IUCAKERBSA-N 0 0 314.311 2.342 10 30 DEEERN O=C(Nc1cc(Cl)ccc1C#CCO)c1cncc(F)c1 ZINC000165313816 197674257 /nfs/dbraw/zinc/67/42/57/197674257.db2.gz PILIAIPNGKTLLJ-UHFFFAOYSA-N 0 0 304.708 2.470 10 30 DEEERN CCc1nc2n(n1)CCC[C@H]2NC(=O)/C=C/c1ccccc1C#N ZINC000088198516 185241666 /nfs/dbraw/zinc/24/16/66/185241666.db2.gz KMEJNIDQHYBLBD-BOLDSZDNSA-N 0 0 321.384 2.377 10 30 DEEERN CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1ccc(C#CCO)cc1 ZINC000088310850 185245224 /nfs/dbraw/zinc/24/52/24/185245224.db2.gz HQSCAWQKKAIBMZ-KGLIPLIRSA-N 0 0 309.431 2.133 10 30 DEEERN N#CCCCCS(=O)(=O)c1ccc(Br)cc1N ZINC000165752734 197680841 /nfs/dbraw/zinc/68/08/41/197680841.db2.gz QEADVMVNDIFEDA-UHFFFAOYSA-N 0 0 317.208 2.499 10 30 DEEERN CN(CCC(F)(F)F)C(=O)c1ccc(F)cc1C#CCO ZINC000088436655 185250230 /nfs/dbraw/zinc/25/02/30/185250230.db2.gz SGSTWTMVCGEXSW-UHFFFAOYSA-N 0 0 303.255 2.194 10 30 DEEERN N#Cc1cccc(C(=O)Nc2c[nH]cc(Br)c2=O)c1 ZINC000089989928 185275023 /nfs/dbraw/zinc/27/50/23/185275023.db2.gz YAFBTIMNOOFYJH-UHFFFAOYSA-N 0 0 318.130 2.261 10 30 DEEERN CC[C@H](C#N)NC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000090040335 185279375 /nfs/dbraw/zinc/27/93/75/185279375.db2.gz QCOCCFXAWJDYAW-GFCCVEGCSA-N 0 0 308.328 2.431 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cnn(CC(C)C)c1C ZINC000613167787 362025872 /nfs/dbraw/zinc/02/58/72/362025872.db2.gz XQDKDCXVGAEWOB-CQSZACIVSA-N 0 0 306.410 2.257 10 30 DEEERN Cc1cc(N2CCN([C@@H](C)C#N)CC2)ncc1Br ZINC000166076079 197687434 /nfs/dbraw/zinc/68/74/34/197687434.db2.gz RLGNXZBUBUQRRG-NSHDSACASA-N 0 0 309.211 2.187 10 30 DEEERN CCNC(=O)N1CC[C@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613428921 362109958 /nfs/dbraw/zinc/10/99/58/362109958.db2.gz CKCGYBGACRDNQK-ZDUSSCGKSA-N 0 0 315.421 2.466 10 30 DEEERN C=CCc1ccccc1OCC#CCNS(=O)(=O)CCC ZINC000090731808 185311676 /nfs/dbraw/zinc/31/16/76/185311676.db2.gz IODXFKBUQQMVQV-UHFFFAOYSA-N 0 0 307.415 2.127 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1cnc2onc(C)c2c1 ZINC000625328113 365731908 /nfs/dbraw/zinc/73/19/08/365731908.db2.gz QMZWGFSBCHGNOP-UHFFFAOYSA-N 0 0 309.391 2.412 10 30 DEEERN Cc1noc(C)c1[C@@H](C)NC(=O)c1sccc1C#CCO ZINC000092341613 185313392 /nfs/dbraw/zinc/31/33/92/185313392.db2.gz HDVZGYYDZOZWMS-SECBINFHSA-N 0 0 304.371 2.188 10 30 DEEERN CC(C)c1nnc2n1C[C@@H](NC(=O)Nc1cccc(C#N)c1)CC2 ZINC000181362104 199285452 /nfs/dbraw/zinc/28/54/52/199285452.db2.gz KAAFJBYSAATNQW-AWEZNQCLSA-N 0 0 324.388 2.410 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)Cc1ccc(OC)cc1 ZINC000625361921 365748008 /nfs/dbraw/zinc/74/80/08/365748008.db2.gz PQBLEIOGHDEDBY-UHFFFAOYSA-N 0 0 318.417 2.372 10 30 DEEERN CN1CC[C@H](NC(=O)C[C@@H]2Sc3ccccc3NC2=O)C1=O ZINC000329652830 529802751 /nfs/dbraw/zinc/80/27/51/529802751.db2.gz DNXAMUVMSPXATM-JQWIXIFHSA-N 0 0 319.386 2.326 10 30 DEEERN CN1CC[C@H](NC(=O)C(C)(C)C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000245724868 529805258 /nfs/dbraw/zinc/80/52/58/529805258.db2.gz WZXCSCCDJQNNRF-KBPBESRZSA-N 0 0 307.344 2.376 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc2cc(F)ccc2[nH]1 ZINC000614134330 362295119 /nfs/dbraw/zinc/29/51/19/362295119.db2.gz SGYFSEPOMGFWPE-ZDUSSCGKSA-N 0 0 304.325 2.111 10 30 DEEERN C=CCCOCCCCC(=O)N1CC[C@@H](N2CCC2)[C@@H](F)C1 ZINC000614094783 362283042 /nfs/dbraw/zinc/28/30/42/362283042.db2.gz UZAJTDLHBOOPHP-JKSUJKDBSA-N 0 0 312.429 2.394 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCC1C[C@@H](C)O[C@H](C)C1 ZINC000614551629 362406507 /nfs/dbraw/zinc/40/65/07/362406507.db2.gz LCOONWDXQPYYBE-IOASZLSFSA-N 0 0 310.438 2.167 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(F)c(C(C)=O)c1 ZINC000614692554 362438870 /nfs/dbraw/zinc/43/88/70/362438870.db2.gz FPDYGAGMVRLBOO-HNNXBMFYSA-N 0 0 306.337 2.438 10 30 DEEERN Cc1ccc(CNC(=O)c2sccc2C#CCCO)cn1 ZINC000111536329 185610958 /nfs/dbraw/zinc/61/09/58/185610958.db2.gz VDEUIKQCTYGLLH-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN C=C(C)CCNC(=O)CN1CC[C@@H](c2ccccc2)NC1=O ZINC000615826129 362709210 /nfs/dbraw/zinc/70/92/10/362709210.db2.gz JHIKLWGLNLQXQN-HNNXBMFYSA-N 0 0 301.390 2.225 10 30 DEEERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(C#N)nc2)cc1F ZINC000119466336 185748397 /nfs/dbraw/zinc/74/83/97/185748397.db2.gz JISLLTHMUISEJU-NSHDSACASA-N 0 0 319.361 2.440 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@H]1CCN(c2ccccc2OC)C1 ZINC000277645670 213658621 /nfs/dbraw/zinc/65/86/21/213658621.db2.gz KLEOSWOGLMWWDH-MRXNPFEDSA-N 0 0 324.424 2.301 10 30 DEEERN C#CCN(C(=O)N[C@@H](C)c1nnc2n1CCCC2)C1CCCC1 ZINC000121488538 185807841 /nfs/dbraw/zinc/80/78/41/185807841.db2.gz HNPIFXAQDUMDBS-ZDUSSCGKSA-N 0 0 315.421 2.263 10 30 DEEERN C=C[C@@H](CC(=O)N1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000126539214 185871952 /nfs/dbraw/zinc/87/19/52/185871952.db2.gz JILZBCXGNHKYLQ-GOEBONIOSA-N 0 0 300.402 2.426 10 30 DEEERN C=C[C@@](C)(O)C(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000616508280 362876695 /nfs/dbraw/zinc/87/66/95/362876695.db2.gz HKHZSWQUFDGKOU-IUODEOHRSA-N 0 0 313.756 2.316 10 30 DEEERN CS(=O)(=O)N1CCc2ccccc2[C@@H]1c1cccc(C#N)c1 ZINC000616583113 362894029 /nfs/dbraw/zinc/89/40/29/362894029.db2.gz AAGROGAZZABASS-KRWDZBQOSA-N 0 0 312.394 2.465 10 30 DEEERN C[C@@H](CNc1ccc(Br)cc1C#N)[S@@](C)=O ZINC000130473062 185969736 /nfs/dbraw/zinc/96/97/36/185969736.db2.gz VGVINMSGYQXBQC-PWJLMRLQSA-N 0 0 301.209 2.500 10 30 DEEERN CN(CCC#N)C(=O)CC[S@](=O)c1ccc2c(c1)CCC2 ZINC000084262871 192418091 /nfs/dbraw/zinc/41/80/91/192418091.db2.gz ABGNSDZLOLAMBL-OAQYLSRUSA-N 0 0 304.415 2.045 10 30 DEEERN C=CCN(C[C@H](C)C(=O)OC)C(=O)c1cccc(NC(C)=O)c1 ZINC000071638914 190996176 /nfs/dbraw/zinc/99/61/76/190996176.db2.gz UYPFYZXMAOPWSE-LBPRGKRZSA-N 0 0 318.373 2.082 10 30 DEEERN COC(=O)[C@@H](C)N1C(=O)c2c(cccc2C(F)(F)F)C1C#N ZINC000071681160 191006397 /nfs/dbraw/zinc/00/63/97/191006397.db2.gz GMJLKAXCUFQHKE-XCBNKYQSSA-N 0 0 312.247 2.287 10 30 DEEERN CCOC(=O)CN1C(=O)c2c(cccc2C(F)(F)F)C1C#N ZINC000071681149 191007282 /nfs/dbraw/zinc/00/72/82/191007282.db2.gz QDSFJMFFJBDTNT-JTQLQIEISA-N 0 0 312.247 2.289 10 30 DEEERN C[C@H]1SCCN(C(=O)c2ccccc2C#CCCO)[C@@H]1C ZINC000133656702 186004106 /nfs/dbraw/zinc/00/41/06/186004106.db2.gz UQNIIWVXVDISNU-ZIAGYGMSSA-N 0 0 303.427 2.387 10 30 DEEERN COc1ccccc1N1CCC(NC(=O)C(C)(C)C#N)CC1 ZINC000138649625 186018332 /nfs/dbraw/zinc/01/83/32/186018332.db2.gz SINUOBJHUPBFJB-UHFFFAOYSA-N 0 0 301.390 2.330 10 30 DEEERN COc1ccc([C@H](C)NC(=O)c2ccc(C#N)cn2)cc1OC ZINC000170959524 197857904 /nfs/dbraw/zinc/85/79/04/197857904.db2.gz NFTUXFAKQOADDU-NSHDSACASA-N 0 0 311.341 2.461 10 30 DEEERN CC[C@H](NC(=O)c1ccc(C#CCCO)s1)c1ncc[nH]1 ZINC000141593572 186030392 /nfs/dbraw/zinc/03/03/92/186030392.db2.gz BGWPKSUCNPMBKW-LBPRGKRZSA-N 0 0 303.387 2.086 10 30 DEEERN C=C(C)COCCNC(=O)c1cc(Br)ccc1N ZINC000164063029 186147871 /nfs/dbraw/zinc/14/78/71/186147871.db2.gz FEUOHVQYRWDOAL-UHFFFAOYSA-N 0 0 313.195 2.354 10 30 DEEERN CC[C@@H](C#N)N1CCN(c2ccncc2Br)CC1 ZINC000163883059 186140843 /nfs/dbraw/zinc/14/08/43/186140843.db2.gz QDIVRDWMKCPVRN-NSHDSACASA-N 0 0 309.211 2.268 10 30 DEEERN CC(C)Oc1ccc(F)cc1NC(=O)C(=O)NCCCCC#N ZINC000171473659 186165440 /nfs/dbraw/zinc/16/54/40/186165440.db2.gz QMNTVHVEOHETFW-UHFFFAOYSA-N 0 0 321.352 2.361 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CNc1ccccc1C(N)=O ZINC000617042196 363008000 /nfs/dbraw/zinc/00/80/00/363008000.db2.gz OPOUJVDHTQYJMA-ZFWWWQNUSA-N 0 0 315.417 2.449 10 30 DEEERN C=CC1CCN(C(=O)C2CCN(Cc3nccn3C)CC2)CC1 ZINC000171882876 198000194 /nfs/dbraw/zinc/00/01/94/198000194.db2.gz ZGTDDPSZSBGRLW-UHFFFAOYSA-N 0 0 316.449 2.057 10 30 DEEERN N#CCCCS(=O)(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000171979851 198019756 /nfs/dbraw/zinc/01/97/56/198019756.db2.gz ZQRUJZQCTCSCNO-UHFFFAOYSA-N 0 0 321.377 2.299 10 30 DEEERN C[C@@H](CO)[C@H](C)NC(=O)NCCSCc1ccccc1C#N ZINC000172595622 198120881 /nfs/dbraw/zinc/12/08/81/198120881.db2.gz QLPFXVQQDUGXEK-STQMWFEESA-N 0 0 321.446 2.108 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@@H](COC)C2CCOCC2)cc1 ZINC000617374626 363114112 /nfs/dbraw/zinc/11/41/12/363114112.db2.gz CWGBKBDNCOIQMW-KRWDZBQOSA-N 0 0 319.401 2.423 10 30 DEEERN C[C@]1(CNC(=O)Nc2ccc3c(c2)OCC(=O)N3)CCOC1 ZINC000329365057 539919427 /nfs/dbraw/zinc/91/94/27/539919427.db2.gz GGIBBBXYUQMDMB-OAHLLOKOSA-N 0 0 305.334 2.420 10 30 DEEERN CC1(C)C(=O)NC(=O)N1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000329502911 539921655 /nfs/dbraw/zinc/92/16/55/539921655.db2.gz GRBPAQDRMDNNAQ-UHFFFAOYSA-N 0 0 305.290 2.174 10 30 DEEERN C=CCOCCCC(=O)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000173122714 198186305 /nfs/dbraw/zinc/18/63/05/198186305.db2.gz FSEHYBCPPVLZBY-AWEZNQCLSA-N 0 0 318.421 2.302 10 30 DEEERN CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1noc(C)n1 ZINC000173559102 198227331 /nfs/dbraw/zinc/22/73/31/198227331.db2.gz DASNPVDFJCFAAC-UHFFFAOYSA-N 0 0 313.361 2.372 10 30 DEEERN C=CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000617617846 363203807 /nfs/dbraw/zinc/20/38/07/363203807.db2.gz WTXFEPWCIGDWFP-KKUMJFAQSA-N 0 0 300.406 2.306 10 30 DEEERN C=C[C@H](CC(=O)N1CCC[C@@](CO)(OC)C1)c1ccccc1 ZINC000617799907 363269285 /nfs/dbraw/zinc/26/92/85/363269285.db2.gz FJIBQFDEZIBYFU-CRAIPNDOSA-N 0 0 303.402 2.346 10 30 DEEERN COC[C@](C)(CCO)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000176350144 198577449 /nfs/dbraw/zinc/57/74/49/198577449.db2.gz CEJYXLSJWWFFCJ-INIZCTEOSA-N 0 0 322.409 2.024 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2cc(C(=O)N(C)C)ccn2)C1 ZINC000626494822 366206525 /nfs/dbraw/zinc/20/65/25/366206525.db2.gz YUILEORUSPXTOJ-GFCCVEGCSA-N 0 0 302.378 2.213 10 30 DEEERN CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CCO1 ZINC000055220770 354489400 /nfs/dbraw/zinc/48/94/00/354489400.db2.gz LCXDNFPBUXDFSD-LLVKDONJSA-N 0 0 314.794 2.011 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)COC ZINC000063398972 354645144 /nfs/dbraw/zinc/64/51/44/354645144.db2.gz XXOHRCOHNZYVGK-LBPRGKRZSA-N 0 0 307.350 2.327 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CCNC(=O)c1cccs1 ZINC000066292160 354708034 /nfs/dbraw/zinc/70/80/34/354708034.db2.gz UDCLNAGSSBCSRA-UHFFFAOYSA-N 0 0 320.336 2.445 10 30 DEEERN N#Cc1cccnc1N1CCN(c2cnc3ccccc3n2)CC1 ZINC000068126268 354798675 /nfs/dbraw/zinc/79/86/75/354798675.db2.gz WHTNDFSFXBXRDO-UHFFFAOYSA-N 0 0 316.368 2.223 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCCCC[C@@H]1CCO ZINC000355844101 540084908 /nfs/dbraw/zinc/08/49/08/540084908.db2.gz MBYNKDUQLDYQDV-XHSDSOJGSA-N 0 0 310.438 2.304 10 30 DEEERN CNC(=O)CC1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000074777798 355049097 /nfs/dbraw/zinc/04/90/97/355049097.db2.gz VICWITWVCIWLOQ-UHFFFAOYSA-N 0 0 308.385 2.459 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccnn1C ZINC000080336282 355357902 /nfs/dbraw/zinc/35/79/02/355357902.db2.gz YJBICNQOLRHIHU-INIZCTEOSA-N 0 0 312.373 2.012 10 30 DEEERN Cc1nn(C)c(C)c1CCCNC(=O)c1cc(C#N)cs1 ZINC000180817127 356061880 /nfs/dbraw/zinc/06/18/80/356061880.db2.gz SXGIYOCXNVQLTK-UHFFFAOYSA-N 0 0 302.403 2.333 10 30 DEEERN COC(=O)c1cncc(NC(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC000179502052 356027318 /nfs/dbraw/zinc/02/73/18/356027318.db2.gz WKUJORIUYCDRGQ-UHFFFAOYSA-N 0 0 324.340 2.404 10 30 DEEERN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(C#N)cn1C ZINC000081027801 192217591 /nfs/dbraw/zinc/21/75/91/192217591.db2.gz ILQRKWGTRGUPNT-UHFFFAOYSA-N 0 0 322.368 2.350 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000081155950 192230967 /nfs/dbraw/zinc/23/09/67/192230967.db2.gz HDECTUPJFNWEHX-UHFFFAOYSA-N 0 0 308.341 2.058 10 30 DEEERN C#C[C@H](C)NC(=O)c1sccc1I ZINC000306489841 356403342 /nfs/dbraw/zinc/40/33/42/356403342.db2.gz XVFQJZHNHZXJEM-LURJTMIESA-N 0 0 305.140 2.104 10 30 DEEERN COC(=O)c1ccc(C#N)c(C)c1I ZINC000306583501 356404967 /nfs/dbraw/zinc/40/49/67/356404967.db2.gz RBRCNPLICVVZBT-UHFFFAOYSA-N 0 0 301.083 2.258 10 30 DEEERN [O-]C(N[C@H]1CCCC[C@H]1n1cc(CO)nn1)=[NH+]c1ccsc1 ZINC000328603511 356459682 /nfs/dbraw/zinc/45/96/82/356459682.db2.gz GHJIBNIPVVVCDB-QWHCGFSZSA-N 0 0 321.406 2.151 10 30 DEEERN CCCCN1CCOC[C@@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000184371652 199709009 /nfs/dbraw/zinc/70/90/09/199709009.db2.gz ZPBCVMBMLLAIDG-OAHLLOKOSA-N 0 0 305.353 2.137 10 30 DEEERN C=CCN(C(=O)Nc1cnc(OC)c(OC)c1)[C@@H](C)COC ZINC000626712068 366282246 /nfs/dbraw/zinc/28/22/46/366282246.db2.gz LRJHCFSCZRWWKD-NSHDSACASA-N 0 0 309.366 2.154 10 30 DEEERN C=CCNC(=O)Cc1noc(-c2ccc(C3(C#N)CC3)cc2)n1 ZINC000350691395 356558307 /nfs/dbraw/zinc/55/83/07/356558307.db2.gz CFTRTUCPSGJNGP-UHFFFAOYSA-N 0 0 308.341 2.136 10 30 DEEERN Cc1nccn1-c1ncccc1NC(=O)c1cc(C#N)cn1C ZINC000081702505 192314860 /nfs/dbraw/zinc/31/48/60/192314860.db2.gz OWXLAURKNIMNFD-UHFFFAOYSA-N 0 0 306.329 2.038 10 30 DEEERN C=CCNC(=O)Cc1noc(/C=C/c2cnc3ccccc3n2)n1 ZINC000350727361 356563388 /nfs/dbraw/zinc/56/33/88/356563388.db2.gz VIVVQZZEHULEQE-BQYQJAHWSA-N 0 0 321.340 2.028 10 30 DEEERN C=CCOCCCNC(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000618522648 363514747 /nfs/dbraw/zinc/51/47/47/363514747.db2.gz OOCNXDVELFOETO-OAHLLOKOSA-N 0 0 302.418 2.142 10 30 DEEERN C=CCOCCCNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000618522705 363516055 /nfs/dbraw/zinc/51/60/55/363516055.db2.gz QLMAQKMESWZXHG-JKSUJKDBSA-N 0 0 322.449 2.124 10 30 DEEERN C=CCOCCCNC(=O)c1ncccc1OCC(F)(F)F ZINC000618526841 363517270 /nfs/dbraw/zinc/51/72/70/363517270.db2.gz YMBUFIZLDACWQF-UHFFFAOYSA-N 0 0 318.295 2.345 10 30 DEEERN C=CCOCCCNC(=O)Nc1cn(C)nc1-c1ccco1 ZINC000626813744 366333043 /nfs/dbraw/zinc/33/30/43/366333043.db2.gz HTYXAQHJPCOAOY-UHFFFAOYSA-N 0 0 304.350 2.394 10 30 DEEERN Cc1ncc(S(=O)(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)cc1C#N ZINC000387001821 356700850 /nfs/dbraw/zinc/70/08/50/356700850.db2.gz WYOSNFNTELIWOH-MDZLAQPJSA-N 0 0 307.419 2.317 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)Cc2cccc3cnccc32)C1=O ZINC000626848520 366344749 /nfs/dbraw/zinc/34/47/49/366344749.db2.gz FDCYHMZREYHZAE-KRWDZBQOSA-N 0 0 323.396 2.023 10 30 DEEERN C=CCCOCCNC(=O)N[C@H](c1ccccc1F)[C@@H](C)O ZINC000578657186 356852928 /nfs/dbraw/zinc/85/29/28/356852928.db2.gz FFGBPAAVIPLFOS-DOMZBBRYSA-N 0 0 310.369 2.140 10 30 DEEERN C=CCCCCCNC(=O)c1cncc(N2CCOCC2)c1 ZINC000579369830 356965211 /nfs/dbraw/zinc/96/52/11/356965211.db2.gz ONNZFLSQKXPQTG-UHFFFAOYSA-N 0 0 303.406 2.394 10 30 DEEERN C=CCn1c(-c2scnc2C)nnc1N(C)CCOCC ZINC000579836627 357040248 /nfs/dbraw/zinc/04/02/48/357040248.db2.gz QCLSVKCAXNYUPU-UHFFFAOYSA-N 0 0 307.423 2.369 10 30 DEEERN CC(C)(C)CCCNC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586864128 357378010 /nfs/dbraw/zinc/37/80/10/357378010.db2.gz LQMSNWZEZOKOBM-UHFFFAOYSA-N 0 0 319.380 2.256 10 30 DEEERN CC1(C)CCC[C@@H]1NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586864509 357378025 /nfs/dbraw/zinc/37/80/25/357378025.db2.gz XGGFEGBAPSDDEW-AWEZNQCLSA-N 0 0 317.364 2.008 10 30 DEEERN C=CCCOCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000589063325 357440903 /nfs/dbraw/zinc/44/09/03/357440903.db2.gz CHTUXHZGODPMQL-UHFFFAOYSA-N 0 0 317.345 2.328 10 30 DEEERN C=CCn1c([C@H]2CCCOC2)nnc1N1CCC(C)(C#N)CC1 ZINC000591611721 357743018 /nfs/dbraw/zinc/74/30/18/357743018.db2.gz CDFFNTWMTMQYEQ-AWEZNQCLSA-N 0 0 315.421 2.488 10 30 DEEERN C=CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC000591613573 357743651 /nfs/dbraw/zinc/74/36/51/357743651.db2.gz PIMCFFUVXPJFNH-YOEHRIQHSA-N 0 0 315.421 2.488 10 30 DEEERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cccc(C#N)c2F)C1 ZINC000591652632 357748027 /nfs/dbraw/zinc/74/80/27/357748027.db2.gz CKPPHESNFFHCLM-KGLIPLIRSA-N 0 0 300.337 2.382 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 ZINC000591649755 357748131 /nfs/dbraw/zinc/74/81/31/357748131.db2.gz NPPOQBZKXFHGBF-XJKSGUPXSA-N 0 0 319.384 2.190 10 30 DEEERN C=CCCS(=O)(=O)NC1(CC(=O)OC(C)(C)C)CCC1 ZINC000593632605 358115736 /nfs/dbraw/zinc/11/57/36/358115736.db2.gz FMRVSVYTCCGULO-UHFFFAOYSA-N 0 0 303.424 2.136 10 30 DEEERN C=CCCn1cc(C[S@@](=O)Cc2ccc(OC)c(F)c2)nn1 ZINC000593936511 358175087 /nfs/dbraw/zinc/17/50/87/358175087.db2.gz BLYFMDWDDIJEOG-QFIPXVFZSA-N 0 0 323.393 2.451 10 30 DEEERN CCc1cccc(CC)c1NC(=O)Cn1cnc(C#N)c1C#N ZINC000180423549 199157290 /nfs/dbraw/zinc/15/72/90/199157290.db2.gz XGNFTAJBTUCDFW-UHFFFAOYSA-N 0 0 307.357 2.390 10 30 DEEERN C=CCOCCNC(=O)Nc1cncc(C(=O)OC(C)(C)C)c1 ZINC000594165718 358216812 /nfs/dbraw/zinc/21/68/12/358216812.db2.gz OZXQYUHZJZQTRO-UHFFFAOYSA-N 0 0 321.377 2.361 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)CC(C)(C)C(=O)OC ZINC000594789300 358337128 /nfs/dbraw/zinc/33/71/28/358337128.db2.gz KVJVDKHBNWVJCE-CHWSQXEVSA-N 0 0 317.451 2.240 10 30 DEEERN C=CCOCCCNC(=O)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000595767089 358544463 /nfs/dbraw/zinc/54/44/63/358544463.db2.gz NAYCWLBRNFXQRT-QFIPXVFZSA-N 0 0 324.446 2.158 10 30 DEEERN C=CCOCCCNC(=O)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000595767088 358544481 /nfs/dbraw/zinc/54/44/81/358544481.db2.gz NAYCWLBRNFXQRT-JOCHJYFZSA-N 0 0 324.446 2.158 10 30 DEEERN C=CCOCCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000596473948 358694625 /nfs/dbraw/zinc/69/46/25/358694625.db2.gz VIWPCAVMCBHTPL-UHFFFAOYSA-N 0 0 314.363 2.003 10 30 DEEERN CN1C[C@@H](CNc2cccc(Br)c2C#N)CC1=O ZINC000596492939 358698970 /nfs/dbraw/zinc/69/89/70/358698970.db2.gz WEVBLPUZRBNEFH-SECBINFHSA-N 0 0 308.179 2.211 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000596776536 358759095 /nfs/dbraw/zinc/75/90/95/358759095.db2.gz LIIISMOINRWUES-CQSZACIVSA-N 0 0 319.361 2.024 10 30 DEEERN C=CCOCCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597092049 358822033 /nfs/dbraw/zinc/82/20/33/358822033.db2.gz JDGDNJFZRUZMQF-UHFFFAOYSA-N 0 0 314.729 2.155 10 30 DEEERN C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(COC2)C1 ZINC000597293594 358880946 /nfs/dbraw/zinc/88/09/46/358880946.db2.gz XRJVMTLIPKPXLO-UHFFFAOYSA-N 0 0 321.384 2.229 10 30 DEEERN C=CCCC1(CNC(=O)[C@@H](C)n2cnc(C#N)n2)CCCC1 ZINC000597926520 359044014 /nfs/dbraw/zinc/04/40/14/359044014.db2.gz CPOKJQPJHZBFAG-CYBMUJFWSA-N 0 0 301.394 2.354 10 30 DEEERN C=CCCOCC(=O)N1CC[C@H](C(=O)OC)[C@H]2CCCC[C@@H]21 ZINC000598168322 359112789 /nfs/dbraw/zinc/11/27/89/359112789.db2.gz OERVQXOTEDPTLX-ILXRZTDVSA-N 0 0 309.406 2.159 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CCSC)NC(=O)CC ZINC000598422708 359194506 /nfs/dbraw/zinc/19/45/06/359194506.db2.gz DDCNNGXAMUGSDI-MJBXVCDLSA-N 0 0 310.463 2.344 10 30 DEEERN C=CCSCCNC(=O)C1(c2cc(C)no2)CCOCC1 ZINC000599201302 359431913 /nfs/dbraw/zinc/43/19/13/359431913.db2.gz ISANBZJHTTVZCQ-UHFFFAOYSA-N 0 0 310.419 2.067 10 30 DEEERN C=CC(C)(C)CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000599116433 359406776 /nfs/dbraw/zinc/40/67/76/359406776.db2.gz IFYYQXVBNOHVNY-UHFFFAOYSA-N 0 0 313.379 2.256 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000599361669 359477255 /nfs/dbraw/zinc/47/72/55/359477255.db2.gz WWOJDHJJOMDHSB-UHFFFAOYSA-N 0 0 311.403 2.354 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cccc(C)c2C(=O)OC)C1 ZINC000599373817 359481508 /nfs/dbraw/zinc/48/15/08/359481508.db2.gz DKPFPBJTMOBHCH-CYBMUJFWSA-N 0 0 323.414 2.368 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)C1 ZINC000599374362 359481712 /nfs/dbraw/zinc/48/17/12/359481712.db2.gz HRPCCSQHXVUMKN-CYBMUJFWSA-N 0 0 323.414 2.450 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 ZINC000599375329 359482943 /nfs/dbraw/zinc/48/29/43/359482943.db2.gz SAWUPANLURAOGR-LLVKDONJSA-N 0 0 313.375 2.043 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2cnn(C(C)(C)C(=O)OC)c2)C1 ZINC000599799963 359599546 /nfs/dbraw/zinc/59/95/46/359599546.db2.gz DBRXWNAIQFDUHM-GFCCVEGCSA-N 0 0 320.393 2.221 10 30 DEEERN C=CCC[C@H](NC(=O)c1ocnc1C(F)F)C(=O)OCC ZINC000599997002 359631571 /nfs/dbraw/zinc/63/15/71/359631571.db2.gz PWMCPVHAHXZODI-QMMMGPOBSA-N 0 0 302.277 2.240 10 30 DEEERN CCOC(=O)CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000089803981 192874222 /nfs/dbraw/zinc/87/42/22/192874222.db2.gz MBHZUYACFUIXRP-CHWSQXEVSA-N 0 0 318.373 2.174 10 30 DEEERN C#CCOc1ccc(C(=O)N[C@H](C)CCC(=O)OCC)cc1 ZINC000089805929 192874976 /nfs/dbraw/zinc/87/49/76/192874976.db2.gz CAEMRYHVPUYQRC-CYBMUJFWSA-N 0 0 303.358 2.160 10 30 DEEERN C=CCCC1(CNC(=O)Cn2cc(C(=O)OC)cn2)CCCC1 ZINC000600090471 359646445 /nfs/dbraw/zinc/64/64/45/359646445.db2.gz RZPLUWANDHIPRQ-UHFFFAOYSA-N 0 0 319.405 2.313 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)CCO ZINC000187860176 200167623 /nfs/dbraw/zinc/16/76/23/200167623.db2.gz ORVAVFIJZPMVMG-ZDUSSCGKSA-N 0 0 318.417 2.364 10 30 DEEERN C=CCCSCCN1C(=O)N[C@H](C[C@H]2CCCOC2)C1=O ZINC000600704581 359804064 /nfs/dbraw/zinc/80/40/64/359804064.db2.gz WTBCWIWVOIZYPY-CHWSQXEVSA-N 0 0 312.435 2.033 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cnn(CCF)c1 ZINC000627635458 366573896 /nfs/dbraw/zinc/57/38/96/366573896.db2.gz QTASXAAVOSETQK-TZMCWYRMSA-N 0 0 322.384 2.042 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000627687139 366591322 /nfs/dbraw/zinc/59/13/22/366591322.db2.gz VOQDIHZNVNCTLC-UHFFFAOYSA-N 0 0 318.373 2.115 10 30 DEEERN C=CCCC(C)(C)CN1C(=O)[C@@H]2C[C@H](C(=O)OC)CCN2C1=O ZINC000601069329 359911630 /nfs/dbraw/zinc/91/16/30/359911630.db2.gz CKQFURYVGYQSCN-OLZOCXBDSA-N 0 0 322.405 2.195 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CC2(C(=O)OC(C)(C)C)CCC2)C1=O ZINC000601071682 359912438 /nfs/dbraw/zinc/91/24/38/359912438.db2.gz SCUCEJWXQOHUDG-GFCCVEGCSA-N 0 0 322.405 2.385 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC)cc2OC)C1 ZINC000627736449 366606941 /nfs/dbraw/zinc/60/69/41/366606941.db2.gz YNFHRVZZOQEPLB-GFCCVEGCSA-N 0 0 318.373 2.067 10 30 DEEERN C=C1CC(C)(C(=O)NCCOc2ccc(C(=O)OC)cc2)C1 ZINC000601132100 359934776 /nfs/dbraw/zinc/93/47/76/359934776.db2.gz AIKGTGLJNHDOKL-UHFFFAOYSA-N 0 0 303.358 2.325 10 30 DEEERN C=CC[C@H](C(=O)NC1CC(N2CCOCC2)C1)c1ccccc1 ZINC000627939140 366667013 /nfs/dbraw/zinc/66/70/13/366667013.db2.gz DVXIJLIYGGDSPC-ABHNRTSZSA-N 0 0 314.429 2.326 10 30 DEEERN C=C1CC(C)(C(=O)N[C@H](Cc2ccncc2)C(=O)OCC)C1 ZINC000601283656 359993232 /nfs/dbraw/zinc/99/32/32/359993232.db2.gz ADTFAGDJUAHRMO-CQSZACIVSA-N 0 0 302.374 2.028 10 30 DEEERN C=C1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601339709 360012379 /nfs/dbraw/zinc/01/23/79/360012379.db2.gz GEPMCZBUPXGYNA-UHFFFAOYSA-N 0 0 302.377 2.305 10 30 DEEERN C=C1CC(C)(C(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)OC)C1 ZINC000601382498 360025697 /nfs/dbraw/zinc/02/56/97/360025697.db2.gz ZQLXNBPLEIOQDQ-AWEZNQCLSA-N 0 0 321.348 2.219 10 30 DEEERN C=CCC(CC=C)C(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189123708 200353027 /nfs/dbraw/zinc/35/30/27/200353027.db2.gz HITBXSUUWSQSFK-UONOGXRCSA-N 0 0 305.378 2.435 10 30 DEEERN C=C(C)C[C@@H](NS(=O)(=O)c1ccc(CC)s1)C(=O)OC ZINC000601503166 360056296 /nfs/dbraw/zinc/05/62/96/360056296.db2.gz YZPHGXGXZIYDOF-LLVKDONJSA-N 0 0 317.432 2.097 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1 ZINC000601664580 360105140 /nfs/dbraw/zinc/10/51/40/360105140.db2.gz NQTUQKFDGXWFJG-UXXRCYHCSA-N 0 0 309.406 2.204 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1CCc2cccc(OC)c21)C(=O)OC ZINC000601780887 360145450 /nfs/dbraw/zinc/14/54/50/360145450.db2.gz DVOFGTPJHVEDHE-ZIAGYGMSSA-N 0 0 317.385 2.349 10 30 DEEERN C=C(C)C[C@H](NC(=O)C[C@@H]1OCCc2ccccc21)C(=O)OC ZINC000601780967 360145785 /nfs/dbraw/zinc/14/57/85/360145785.db2.gz GGXOYGCYWKFUIB-HOTGVXAUSA-N 0 0 317.385 2.315 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000601782831 360146762 /nfs/dbraw/zinc/14/67/62/360146762.db2.gz RCPDIKCWDAWTKP-SMDDNHRTSA-N 0 0 320.345 2.322 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cnn(CCC(C)C)c1C)C(=O)OC ZINC000601783514 360147948 /nfs/dbraw/zinc/14/79/48/360147948.db2.gz XBQXRSADCCOOQK-HNNXBMFYSA-N 0 0 321.421 2.475 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](OCC)c1ccccc1)C(=O)OC ZINC000601785305 360148676 /nfs/dbraw/zinc/14/86/76/360148676.db2.gz LRSGCFVCROTUPO-GJZGRUSLSA-N 0 0 305.374 2.388 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cc1ccc(O)c(Cl)c1)C(=O)OC ZINC000601785405 360148862 /nfs/dbraw/zinc/14/88/62/360148862.db2.gz DLICXRDMSOQYJY-LBPRGKRZSA-N 0 0 311.765 2.212 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(C)cc2c[nH]nc21)C(=O)OC ZINC000601787583 360150441 /nfs/dbraw/zinc/15/04/41/360150441.db2.gz ZGSUCKALIPZMSD-CYBMUJFWSA-N 0 0 301.346 2.109 10 30 DEEERN C=C(C)C[C@H](NC(=O)C(=O)c1ccc(Cl)s1)C(=O)OC ZINC000601787665 360150587 /nfs/dbraw/zinc/15/05/87/360150587.db2.gz MHXSEJVQDKLYTE-QMMMGPOBSA-N 0 0 315.778 2.208 10 30 DEEERN C=CCC1(NC(=O)c2cccc(S(N)(=O)=O)c2C)CCCC1 ZINC000619107842 363708219 /nfs/dbraw/zinc/70/82/19/363708219.db2.gz KTQTZGLFIXSIKE-UHFFFAOYSA-N 0 0 322.430 2.261 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000189678133 200436630 /nfs/dbraw/zinc/43/66/30/200436630.db2.gz AJUONDRKTADFRZ-UHFFFAOYSA-N 0 0 317.432 2.430 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000602291883 360332055 /nfs/dbraw/zinc/33/20/55/360332055.db2.gz ISMJCTIMRULRTK-UHFFFAOYSA-N 0 0 305.422 2.295 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000602333147 360342442 /nfs/dbraw/zinc/34/24/42/360342442.db2.gz LSPPRBHDCUSODN-QPSCCSFWSA-N 0 0 324.421 2.093 10 30 DEEERN C[C@]12CCN(S(=O)(=O)c3ccccc3C#N)C[C@H]1C2(F)F ZINC000292407680 223058218 /nfs/dbraw/zinc/05/82/18/223058218.db2.gz UEURPESZZGBANO-OLZOCXBDSA-N 0 0 312.341 2.224 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC([C@@H]2CCCCO2)CC1 ZINC000619177776 363726684 /nfs/dbraw/zinc/72/66/84/363726684.db2.gz RBOFQWYMQRIZGI-IRXDYDNUSA-N 0 0 322.449 2.265 10 30 DEEERN C=C(C)C[C@H](N[C@@H]1CC[C@@H](C(=O)OCC)[C@H](C)C1)C(=O)OC ZINC000602733450 360524787 /nfs/dbraw/zinc/52/47/87/360524787.db2.gz IIKPQLHEXNZRJN-TUVASFSCSA-N 0 0 311.422 2.452 10 30 DEEERN C=C[C@@H](C)NC(=O)c1ncc(I)s1 ZINC000603437913 360831933 /nfs/dbraw/zinc/83/19/33/360831933.db2.gz UXSNSKALFBFILF-RXMQYKEDSA-N 0 0 308.144 2.052 10 30 DEEERN CC1(C)C[C@H]1NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000608984090 361276150 /nfs/dbraw/zinc/27/61/50/361276150.db2.gz OMGXLMSODJBNCO-CQSZACIVSA-N 0 0 313.405 2.020 10 30 DEEERN C=CCNC(=S)N/N=C/c1cc(Br)ccc1O ZINC000006293461 181327233 /nfs/dbraw/zinc/32/72/33/181327233.db2.gz GUTDAZJLDXFFDD-VGOFMYFVSA-N 0 0 314.208 2.139 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cocn1 ZINC000609356607 361306099 /nfs/dbraw/zinc/30/60/99/361306099.db2.gz PFCCXJYOKDPNRZ-UHFFFAOYSA-N 0 0 316.317 2.481 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000628038199 366699024 /nfs/dbraw/zinc/69/90/24/366699024.db2.gz XPGXJMNOXXGPCT-ZNMIVQPWSA-N 0 0 318.421 2.179 10 30 DEEERN C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)C[C@@H](C2CC2)O1 ZINC000619363117 363772793 /nfs/dbraw/zinc/77/27/93/363772793.db2.gz UOKSPJIEAMUGDO-BZNIZROVSA-N 0 0 317.364 2.406 10 30 DEEERN CC[C@H](O)CN(Cc1ccccc1)C(=O)c1ccnc(C#N)c1 ZINC000193616314 201087583 /nfs/dbraw/zinc/08/75/83/201087583.db2.gz VNGIQIHJJMVJOV-KRWDZBQOSA-N 0 0 309.369 2.367 10 30 DEEERN CC(C)(C)Oc1ccc(CNC(=O)c2ccnc(C#N)c2)cn1 ZINC000193778206 201121379 /nfs/dbraw/zinc/12/13/79/201121379.db2.gz NOGQNDPTTKCLEE-UHFFFAOYSA-N 0 0 310.357 2.456 10 30 DEEERN N#Cc1cc(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)ccn1 ZINC000193809782 201126351 /nfs/dbraw/zinc/12/63/51/201126351.db2.gz LEGUMHFYUJOOJR-SFHVURJKSA-N 0 0 321.380 2.427 10 30 DEEERN COc1ccc(OCCNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000610520199 361415004 /nfs/dbraw/zinc/41/50/04/361415004.db2.gz MYLZFLUTHNEMDI-UHFFFAOYSA-N 0 0 310.353 2.305 10 30 DEEERN C=CC(C)(C)CCNC(=O)CNC(=O)c1cccc(OC)c1 ZINC000628318495 366807918 /nfs/dbraw/zinc/80/79/18/366807918.db2.gz HMNJOASATNDUGZ-UHFFFAOYSA-N 0 0 304.390 2.144 10 30 DEEERN CC(C)(C)OCc1cc(CNC(=O)c2ccnc(C#N)c2)no1 ZINC000193952384 201151075 /nfs/dbraw/zinc/15/10/75/201151075.db2.gz PWHHDMGMLPVRIJ-UHFFFAOYSA-N 0 0 314.345 2.186 10 30 DEEERN CC(C)C[C@@H](C#N)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000611544267 361626784 /nfs/dbraw/zinc/62/67/84/361626784.db2.gz GAOXEPBHWZHPBX-LRDDRELGSA-N 0 0 307.394 2.303 10 30 DEEERN C[C@H](C[C@@H]1CCOC1)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000611543391 361627260 /nfs/dbraw/zinc/62/72/60/361627260.db2.gz GTTWMZUOFIESLL-IIYDPXPESA-N 0 0 324.421 2.179 10 30 DEEERN Cc1onc(CC(=O)N(C[C@H]2CCCO2)C2CCCC2)c1C#N ZINC000611528390 361623661 /nfs/dbraw/zinc/62/36/61/361623661.db2.gz XNQHDVXWRRMCHE-CQSZACIVSA-N 0 0 317.389 2.347 10 30 DEEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC(CC#N)CC1 ZINC000611678479 361656229 /nfs/dbraw/zinc/65/62/29/361656229.db2.gz GNRJCMLVFPYTHB-QGZVFWFLSA-N 0 0 319.405 2.400 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000611747992 361672032 /nfs/dbraw/zinc/67/20/32/361672032.db2.gz WDOHQCGUAMDZMS-INIZCTEOSA-N 0 0 317.389 2.079 10 30 DEEERN C=CCOCCCNC(=O)C(=O)NC[C@H]1CCCC(C)(C)C1 ZINC000611923918 361706108 /nfs/dbraw/zinc/70/61/08/361706108.db2.gz DMKVAAGYTYKXRO-AWEZNQCLSA-N 0 0 310.438 2.028 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CS[C@H](C)C1 ZINC000611961449 361713843 /nfs/dbraw/zinc/71/38/43/361713843.db2.gz IRFPGOSMWITYBU-MQYQWHSLSA-N 0 0 310.463 2.248 10 30 DEEERN CC[C@H]1c2ccccc2CCN1C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000619592645 363835370 /nfs/dbraw/zinc/83/53/70/363835370.db2.gz QDDUTXWFQSWWSS-DOMZBBRYSA-N 0 0 309.373 2.247 10 30 DEEERN C[C@H](C(=O)N1CCC[C@@H]1/C=C\c1ccccc1)n1cnc(C#N)n1 ZINC000619598848 363837299 /nfs/dbraw/zinc/83/72/99/363837299.db2.gz RGRIUSXELKKPKH-WGCVJFFOSA-N 0 0 321.384 2.415 10 30 DEEERN C[C@@H](C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1)n1cnc(C#N)n1 ZINC000619600152 363837785 /nfs/dbraw/zinc/83/77/85/363837785.db2.gz GBVYKFVZZUYKEC-TVYUQYBPSA-N 0 0 315.764 2.036 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccc(N3CCC3=O)cc2)c1 ZINC000619618257 363841332 /nfs/dbraw/zinc/84/13/32/363841332.db2.gz VLFSTSMTJJRAIB-UHFFFAOYSA-N 0 0 305.337 2.476 10 30 DEEERN CCOC(=O)C[C@]1([C@H]2CO2)CCCN(C(=O)OC(C)(C)C)C1 ZINC000675053547 541285705 /nfs/dbraw/zinc/28/57/05/541285705.db2.gz OLFRZCGZRHWFGF-MLGOLLRUSA-N 0 0 313.394 2.356 10 30 DEEERN CC(=O)c1cccc(O[C@@H](C)C(=O)N2CC[C@@](C)(C#N)C2)c1 ZINC000620302017 364013055 /nfs/dbraw/zinc/01/30/55/364013055.db2.gz ZZWGDQNAFJGFKG-GUYCJALGSA-N 0 0 300.358 2.419 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC[C@H]3COC[C@H]3C2)cc1OC ZINC000620151459 363975428 /nfs/dbraw/zinc/97/54/28/363975428.db2.gz HBCCIYJHONFUIX-LSDHHAIUSA-N 0 0 317.385 2.369 10 30 DEEERN C=C[C@H](CO)NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000620592084 364087474 /nfs/dbraw/zinc/08/74/74/364087474.db2.gz JVKJTOFVNOZGPW-YPMHNXCESA-N 0 0 310.191 2.142 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@H](c1ccncc1)C1(CO)CCC1 ZINC000621028342 364229546 /nfs/dbraw/zinc/22/95/46/364229546.db2.gz GQJCOEPNOPXBEW-GDBMZVCRSA-N 0 0 318.417 2.383 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](OCCC(C)C)C1 ZINC000621233744 364312828 /nfs/dbraw/zinc/31/28/28/364312828.db2.gz KRYVZIBBNMGOFD-HZPDHXFCSA-N 0 0 310.438 2.121 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cccc(N3C(=O)CCC3=O)c2)C1 ZINC000628482588 366862574 /nfs/dbraw/zinc/86/25/74/366862574.db2.gz SHBQMWXZGCDANW-ZDUSSCGKSA-N 0 0 312.369 2.378 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Cn2cc(C(N)=O)c3ccccc32)C1 ZINC000628486847 366863732 /nfs/dbraw/zinc/86/37/32/366863732.db2.gz RJIIVSUYNGIVRR-CYBMUJFWSA-N 0 0 311.385 2.165 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CSc2nnnn2C2CCCC2)C1 ZINC000628484025 366864198 /nfs/dbraw/zinc/86/41/98/366864198.db2.gz CBCSZMTVHIAZFL-GFCCVEGCSA-N 0 0 321.450 2.305 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C)c2ccc(F)cc21 ZINC000622815976 364802199 /nfs/dbraw/zinc/80/21/99/364802199.db2.gz OBUCHXZVSVNPCR-CQSZACIVSA-N 0 0 319.380 2.079 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccccc1OCCF ZINC000622878696 364818827 /nfs/dbraw/zinc/81/88/27/364818827.db2.gz JYBZLOIVTLWFIX-CQSZACIVSA-N 0 0 308.353 2.444 10 30 DEEERN C=CCCCCNC(=O)N[C@@H]1c2ccccc2CN(C)C1=O ZINC000623208861 364920560 /nfs/dbraw/zinc/92/05/60/364920560.db2.gz BLCFGQMUKVRSSE-OAHLLOKOSA-N 0 0 301.390 2.355 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1Cc2ccccc2N(C)C(=O)C1 ZINC000623285798 364966809 /nfs/dbraw/zinc/96/68/09/364966809.db2.gz VWLSGXOITKAAEP-GOSISDBHSA-N 0 0 316.401 2.220 10 30 DEEERN C=CCNC(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000623337493 364990929 /nfs/dbraw/zinc/99/09/29/364990929.db2.gz MSVBAFBJDGQRQZ-AWEZNQCLSA-N 0 0 309.797 2.030 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCCNC(=O)c1ccccc1 ZINC000623405614 365017236 /nfs/dbraw/zinc/01/72/36/365017236.db2.gz QIFIJRFQPAVVAB-UHFFFAOYSA-N 0 0 303.406 2.318 10 30 DEEERN C=CCNC(=O)CNCc1cccc(F)c1OCC(F)(F)F ZINC000623487046 365048121 /nfs/dbraw/zinc/04/81/21/365048121.db2.gz RBILPUIDWFPDJH-UHFFFAOYSA-N 0 0 320.286 2.159 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2n[nH]cc2Br)C1 ZINC000623639751 365114336 /nfs/dbraw/zinc/11/43/36/365114336.db2.gz HCPUQIQULQJEMU-SECBINFHSA-N 0 0 313.199 2.280 10 30 DEEERN O=[N+]([O-])c1cccc(S(=O)(=O)N/N=C/c2ccccc2F)c1 ZINC000006889414 181402214 /nfs/dbraw/zinc/40/22/14/181402214.db2.gz ULFJUYZACKAPBP-OQLLNIDSSA-N 0 0 323.305 2.046 10 30 DEEERN C=CCOCCNC(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC000623870489 365205588 /nfs/dbraw/zinc/20/55/88/365205588.db2.gz BOHJJIAAPGOBSH-LBPRGKRZSA-N 0 0 308.378 2.267 10 30 DEEERN C=C(C)CNC(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000623908416 365215973 /nfs/dbraw/zinc/21/59/73/365215973.db2.gz AAKDZBPMMCSLQN-OAHLLOKOSA-N 0 0 323.824 2.421 10 30 DEEERN C=CCOCCCNC(=O)NC[C@@]1(C)COc2ccccc2O1 ZINC000624368251 365398632 /nfs/dbraw/zinc/39/86/32/365398632.db2.gz JHRCXPMOPSUDIU-KRWDZBQOSA-N 0 0 320.389 2.108 10 30 DEEERN CCOc1cccc(N2CCN(Cc3ccc(C#N)o3)CC2)n1 ZINC000092033994 193144821 /nfs/dbraw/zinc/14/48/21/193144821.db2.gz LUMYKJWJBQBYRO-UHFFFAOYSA-N 0 0 312.373 2.267 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1nn(C)c2c1CCCC2 ZINC000449816390 241115791 /nfs/dbraw/zinc/11/57/91/241115791.db2.gz WQNYKBIDWOCADJ-UHFFFAOYSA-N 0 0 301.312 2.489 10 30 DEEERN C=CCC[C@@H](CO)Nc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000450898474 242366451 /nfs/dbraw/zinc/36/64/51/242366451.db2.gz RGJZIVFPKDUEDX-NSHDSACASA-N 0 0 308.334 2.429 10 30 DEEERN C=C1CC(C)(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)C1 ZINC000630639511 367769996 /nfs/dbraw/zinc/76/99/96/367769996.db2.gz BBPHKLGNKPKSLN-UHFFFAOYSA-N 0 0 312.366 2.492 10 30 DEEERN C=C1CCN(C(=O)Cc2nnc(-c3ccccc3OC)o2)CC1 ZINC000630930753 367919081 /nfs/dbraw/zinc/91/90/81/367919081.db2.gz HTAFCZKSNHYNPA-UHFFFAOYSA-N 0 0 313.357 2.466 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2nnc(C(C)(C)C)s2)C1=O ZINC000630978194 367947693 /nfs/dbraw/zinc/94/76/93/367947693.db2.gz KMSUFVLWYKETBM-VIFPVBQESA-N 0 0 308.407 2.222 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000630980773 367948550 /nfs/dbraw/zinc/94/85/50/367948550.db2.gz CJDCXVRMLLEOBN-LBPRGKRZSA-N 0 0 321.764 2.165 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H]2C[C@H](Oc3ccccc3)C2)C1=O ZINC000630985952 367951710 /nfs/dbraw/zinc/95/17/10/367951710.db2.gz HLHBZDDUGGPQMJ-BPLDGKMQSA-N 0 0 300.358 2.483 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2CCC[C@H]2Cc2cnn(C)c2)C1=O ZINC000630988923 367953209 /nfs/dbraw/zinc/95/32/09/367953209.db2.gz WRQSWHGIVCOBDF-SOUVJXGZSA-N 0 0 316.405 2.018 10 30 DEEERN C=CCC1(CNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000451952435 243674457 /nfs/dbraw/zinc/67/44/57/243674457.db2.gz PBVODSMXIXZPAS-OKILXGFUSA-N 0 0 316.467 2.067 10 30 DEEERN CS[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000452556279 244383305 /nfs/dbraw/zinc/38/33/05/244383305.db2.gz FGMPLCSSVIPEAX-ABAIWWIYSA-N 0 0 312.435 2.212 10 30 DEEERN CC[C@@H](C)CN(CC)S(=O)(=O)c1ccc(C#CCO)cc1 ZINC000093265081 193222885 /nfs/dbraw/zinc/22/28/85/193222885.db2.gz SRVJHXXTSDYMJH-CQSZACIVSA-N 0 0 309.431 2.087 10 30 DEEERN CCN[C@@]1(C#N)CCC[C@@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093747301 193299648 /nfs/dbraw/zinc/29/96/48/193299648.db2.gz UJNBFSXYPPNVNN-YGRLFVJLSA-N 0 0 302.407 2.259 10 30 DEEERN CC(C)N[C@@]1(C#N)CC[C@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093807042 193310256 /nfs/dbraw/zinc/31/02/56/193310256.db2.gz QCXHHJZMWLNNKX-FZMZJTMJSA-N 0 0 309.439 2.057 10 30 DEEERN O=C(NCc1ccc(F)cc1F)c1csc(C#CCO)c1 ZINC000093974918 193332583 /nfs/dbraw/zinc/33/25/83/193332583.db2.gz BZFPKIDOUVOKNE-UHFFFAOYSA-N 0 0 307.321 2.300 10 30 DEEERN CC[C@@H]1CO[C@H](C)CN1C(=O)c1csc(C#CCCO)c1 ZINC000093974256 193332894 /nfs/dbraw/zinc/33/28/94/193332894.db2.gz JPFGLAYIXNVNSG-TZMCWYRMSA-N 0 0 307.415 2.122 10 30 DEEERN COC(=O)CN(c1nc(C(F)(F)F)ccc1C#N)C(C)C ZINC000094335173 193360211 /nfs/dbraw/zinc/36/02/11/193360211.db2.gz FOHOUIQAUHVAHG-UHFFFAOYSA-N 0 0 301.268 2.360 10 30 DEEERN Cc1cc(CNC(=O)c2cc(C)c(C#CCCO)s2)on1 ZINC000094535016 193377321 /nfs/dbraw/zinc/37/73/21/193377321.db2.gz HJFDZCNNWFXBNR-UHFFFAOYSA-N 0 0 304.371 2.017 10 30 DEEERN Cc1cc(C(=O)NCc2nccs2)sc1C#CCCO ZINC000094534605 193377329 /nfs/dbraw/zinc/37/73/29/193377329.db2.gz SQQUZLIETJPATP-UHFFFAOYSA-N 0 0 306.412 2.177 10 30 DEEERN COc1ccccc1C#CCNC(=O)c1c(C)nc2ccccn21 ZINC000096345831 193614964 /nfs/dbraw/zinc/61/49/64/193614964.db2.gz IYRGKGGMWBQYJQ-UHFFFAOYSA-N 0 0 319.364 2.433 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCOC1(C)C ZINC000453819481 245306762 /nfs/dbraw/zinc/30/67/62/245306762.db2.gz FNKICIOKCBMBLG-OAHLLOKOSA-N 0 0 316.401 2.427 10 30 DEEERN C=C(C)CCNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000453882181 245339597 /nfs/dbraw/zinc/33/95/97/245339597.db2.gz RRMFCZSAXAEZJP-UHFFFAOYSA-N 0 0 307.297 2.183 10 30 DEEERN C=C(C)CN1c2cc(NC(=O)[C@H]3CCCO3)ccc2OCC1=O ZINC000012120771 181730663 /nfs/dbraw/zinc/73/06/63/181730663.db2.gz GBGPOAAOKITWHX-OAHLLOKOSA-N 0 0 316.357 2.106 10 30 DEEERN N#C[C@@H](NC(=O)C1(c2ccc(F)cc2)CCOCC1)C1CC1 ZINC000161757668 197516299 /nfs/dbraw/zinc/51/62/99/197516299.db2.gz DHUHLEURHHFHAO-OAHLLOKOSA-N 0 0 302.349 2.292 10 30 DEEERN C[C@@H](OS(C)(=O)=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095089560 296207615 /nfs/dbraw/zinc/20/76/15/296207615.db2.gz GJNHGTRDRKWTBE-MNOVXSKESA-N 0 0 307.412 2.141 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)C1CCC1 ZINC000456853406 247455998 /nfs/dbraw/zinc/45/59/98/247455998.db2.gz FMMVNTQSHFDYRN-DOTOQJQBSA-N 0 0 316.401 2.239 10 30 DEEERN C=CCCCN(C)C(=O)C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000457570462 247882118 /nfs/dbraw/zinc/88/21/18/247882118.db2.gz BPJSALUQGSDNMD-CYBMUJFWSA-N 0 0 323.414 2.036 10 30 DEEERN C=CCC[C@H](CO)NC(=O)NC1CCN(c2ccccc2)CC1 ZINC000457954285 248089416 /nfs/dbraw/zinc/08/94/16/248089416.db2.gz RRSMEPMUTZIRHT-MRXNPFEDSA-N 0 0 317.433 2.282 10 30 DEEERN C=CCC[C@H](NC(=O)N1CCC[C@](O)(CO)C1)c1ccccc1 ZINC000458566321 248376126 /nfs/dbraw/zinc/37/61/26/248376126.db2.gz HFPCNXTZXUCELM-FUHWJXTLSA-N 0 0 318.417 2.223 10 30 DEEERN Cc1ccc(S(=O)(=O)NCC(C)(C)C)c(C#CCCO)c1 ZINC000040495168 183081051 /nfs/dbraw/zinc/08/10/51/183081051.db2.gz VQTCCKBURPXWTG-UHFFFAOYSA-N 0 0 309.431 2.053 10 30 DEEERN CCOc1ccc([C@H](C#N)N2CCN(C(=O)OC)CC2)cc1 ZINC000041261347 183182019 /nfs/dbraw/zinc/18/20/19/183182019.db2.gz JZTFWAPKRRKTOS-HNNXBMFYSA-N 0 0 303.362 2.034 10 30 DEEERN N#CCCN(C1CC1)S(=O)(=O)c1c(F)cc(F)cc1F ZINC000042301743 183251839 /nfs/dbraw/zinc/25/18/39/183251839.db2.gz UCBHGCWCISMJRW-UHFFFAOYSA-N 0 0 304.293 2.171 10 30 DEEERN CCN(CC(F)(F)F)C(=O)c1ccc(C#CCO)cc1F ZINC000042797463 183310748 /nfs/dbraw/zinc/31/07/48/183310748.db2.gz QJOQJLOQJGQBIS-UHFFFAOYSA-N 0 0 303.255 2.194 10 30 DEEERN CS(=O)(=O)c1cccc(OCc2cc(C#CCO)cs2)c1 ZINC000043699355 183381877 /nfs/dbraw/zinc/38/18/77/183381877.db2.gz KUTGBQUTFLXTRF-UHFFFAOYSA-N 0 0 322.407 2.074 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCSC[C@@H]2CCO)cc1 ZINC000494920714 249572137 /nfs/dbraw/zinc/57/21/37/249572137.db2.gz KFIRRNJGTHYGBI-AWEZNQCLSA-N 0 0 307.415 2.191 10 30 DEEERN CC1(C)NC(C)(C)/C(=N\O)C(=NNc2ccccc2)/C1=N/O ZINC000103558972 193944560 /nfs/dbraw/zinc/94/45/60/193944560.db2.gz XVBNWGBNHBAXCD-BKHHGCLFSA-N 0 0 303.366 2.275 10 30 DEEERN CO[C@@H]1C[C@@H](CO)N(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000284582469 218087459 /nfs/dbraw/zinc/08/74/59/218087459.db2.gz PKZNQFKOYUQMHV-NWDGAFQWSA-N 0 0 300.280 2.163 10 30 DEEERN C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000284790574 218180011 /nfs/dbraw/zinc/18/00/11/218180011.db2.gz MDPODTFFYOYMIC-JQHSSLGASA-N 0 0 318.392 2.449 10 30 DEEERN N#Cc1cc(C#N)c(SCc2nc(-c3ccoc3)no2)nc1N ZINC000105572543 194111495 /nfs/dbraw/zinc/11/14/95/194111495.db2.gz WTTMKLLRXXTPOG-UHFFFAOYSA-N 0 0 324.325 2.342 10 30 DEEERN CC[C@@H](NC(=O)c1cncc(C#CCO)c1)c1cccs1 ZINC000049628884 183748334 /nfs/dbraw/zinc/74/83/34/183748334.db2.gz JNJLJTRCBPFFNX-CQSZACIVSA-N 0 0 300.383 2.368 10 30 DEEERN CC(C)c1csc(NC(=O)c2cncc(C#CCO)c2)n1 ZINC000049628870 183748537 /nfs/dbraw/zinc/74/85/37/183748537.db2.gz PXEBHGYPRRNPOU-UHFFFAOYSA-N 0 0 301.371 2.258 10 30 DEEERN Cc1nnsc1C(=O)Nc1ccc(C)c(C#CCCO)c1 ZINC000109434831 194262667 /nfs/dbraw/zinc/26/26/67/194262667.db2.gz UEMPSFMDZWMEHW-UHFFFAOYSA-N 0 0 301.371 2.141 10 30 DEEERN C[C@@H](C#N)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000109445242 194263408 /nfs/dbraw/zinc/26/34/08/194263408.db2.gz YZZHLVAMRWRYEI-NSHDSACASA-N 0 0 322.206 2.119 10 30 DEEERN CC[C@H](CC#N)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000054178719 183928305 /nfs/dbraw/zinc/92/83/05/183928305.db2.gz AJDFBYZNDCBIDC-MRVPVSSYSA-N 0 0 317.754 2.219 10 30 DEEERN C#CCn1ncc(NC[C@@H](C)C(C)C)c(Br)c1=O ZINC000157727137 197210544 /nfs/dbraw/zinc/21/05/44/197210544.db2.gz QUZFIXNXBRVVLV-SNVBAGLBSA-N 0 0 312.211 2.343 10 30 DEEERN CC[N@H+](CCC(=O)Nc1sccc1C#N)[C@H](C)CC(=O)[O-] ZINC000061182976 184165116 /nfs/dbraw/zinc/16/51/16/184165116.db2.gz BBQPARGNRZGIFL-SNVBAGLBSA-N 0 0 309.391 2.133 10 30 DEEERN CN(c1ccc(C#N)cc1)S(=O)(=O)Cc1cccc(N)c1 ZINC000061979687 184199567 /nfs/dbraw/zinc/19/95/67/184199567.db2.gz WSCNUHDVPQMAIZ-UHFFFAOYSA-N 0 0 301.371 2.107 10 30 DEEERN CN(c1cccc(C#N)c1)S(=O)(=O)c1c(N)cccc1F ZINC000061979708 184199912 /nfs/dbraw/zinc/19/99/12/184199912.db2.gz UCQNPXMOMTVZPP-UHFFFAOYSA-N 0 0 305.334 2.105 10 30 DEEERN N#Cc1cccc(C(=O)NC[C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000062573634 184243937 /nfs/dbraw/zinc/24/39/37/184243937.db2.gz QXJAIFLYMSJEGS-HNNXBMFYSA-N 0 0 319.364 2.341 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)c1ccc(NN)c(C(F)(F)F)c1 ZINC000063098516 184270499 /nfs/dbraw/zinc/27/04/99/184270499.db2.gz FUGQKLYDGZCRIT-MRVPVSSYSA-N 0 0 300.284 2.365 10 30 DEEERN Cc1cc(S(=O)(=O)N(C)[C@@H](C)CC#N)cc([N+](=O)[O-])c1C ZINC000063095293 184270553 /nfs/dbraw/zinc/27/05/53/184270553.db2.gz UVHQEFDEJUZDCH-JTQLQIEISA-N 0 0 311.363 2.134 10 30 DEEERN C=CCCOCCNC(=O)c1noc(-c2cccc(OC)c2)n1 ZINC000270272821 208338752 /nfs/dbraw/zinc/33/87/52/208338752.db2.gz SEBGFGTWRZUWFI-UHFFFAOYSA-N 0 0 317.345 2.068 10 30 DEEERN CC[C@@H](C#N)S(=O)(=O)Nc1cc(N)ccc1Br ZINC000159285029 197342174 /nfs/dbraw/zinc/34/21/74/197342174.db2.gz RIOISLJDVUMSJE-QMMMGPOBSA-N 0 0 318.196 2.075 10 30 DEEERN Cc1c(C#CCO)cccc1C(=O)N1CCSC(C)(C)C1 ZINC000159023988 197319485 /nfs/dbraw/zinc/31/94/85/197319485.db2.gz ADUFCZXGLJMVLY-UHFFFAOYSA-N 0 0 303.427 2.306 10 30 DEEERN C#CC[C@@H](C)Nc1cnn(CC(C)C)c(=O)c1Br ZINC000158634619 197289974 /nfs/dbraw/zinc/28/99/74/197289974.db2.gz KBGTXYDAIDOZMM-SNVBAGLBSA-N 0 0 312.211 2.486 10 30 DEEERN C=CCOc1cccc(NC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC000120235681 195124858 /nfs/dbraw/zinc/12/48/58/195124858.db2.gz DPBIQHQKLFVQFL-STQMWFEESA-N 0 0 317.389 2.369 10 30 DEEERN C=CCOc1cccc(NC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c1 ZINC000120235800 195124910 /nfs/dbraw/zinc/12/49/10/195124910.db2.gz DPBIQHQKLFVQFL-CHWSQXEVSA-N 0 0 317.389 2.369 10 30 DEEERN N#Cc1cccnc1OC1CCC(Nc2ccncc2C#N)CC1 ZINC000557657675 291874421 /nfs/dbraw/zinc/87/44/21/291874421.db2.gz KDJOAJQIMUDGEB-UHFFFAOYSA-N 0 0 319.368 2.444 10 30 DEEERN CC[C@@H]1CN(C(=O)c2ccc(C#CCCO)s2)CCS1 ZINC000157966877 197231521 /nfs/dbraw/zinc/23/15/21/197231521.db2.gz JXFRJOJCCUTASK-GFCCVEGCSA-N 0 0 309.456 2.450 10 30 DEEERN N#C[C@@]1([C@H](O)c2ccccc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000157643512 197204871 /nfs/dbraw/zinc/20/48/71/197204871.db2.gz XWBMDVKLSHMJOY-NEPJUHHUSA-N 0 0 319.304 2.067 10 30 DEEERN CC(C)OCCN(C)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000157235820 197172706 /nfs/dbraw/zinc/17/27/06/197172706.db2.gz MQHRFQUPDZRENC-UHFFFAOYSA-N 0 0 316.810 2.257 10 30 DEEERN CC[C@@H](NS(=O)(=O)c1cc(C#N)ccc1C)c1ncc[nH]1 ZINC000157191868 197168857 /nfs/dbraw/zinc/16/88/57/197168857.db2.gz FMEYJDVMWKKDDU-GFCCVEGCSA-N 0 0 304.375 2.019 10 30 DEEERN C#CCn1ncc(N[C@@H](C)[C@H](C)CC)c(Br)c1=O ZINC000156791762 197141189 /nfs/dbraw/zinc/14/11/89/197141189.db2.gz FATBMLTYSKVPDO-ZJUUUORDSA-N 0 0 312.211 2.486 10 30 DEEERN C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCOCC1CCC1 ZINC000558645977 291898028 /nfs/dbraw/zinc/89/80/28/291898028.db2.gz IMQQYHXFYDINGI-ZDUSSCGKSA-N 0 0 302.374 2.258 10 30 DEEERN O=C(NC[C@@H]1CCCCS1)c1ccc(F)cc1C#CCO ZINC000156563012 197124023 /nfs/dbraw/zinc/12/40/23/197124023.db2.gz MNYSHNGVJTVFLP-AWEZNQCLSA-N 0 0 307.390 2.185 10 30 DEEERN Cn1cc(CNC(=O)c2cccc(C#N)c2)c(C(F)(F)F)n1 ZINC000156277954 197100773 /nfs/dbraw/zinc/10/07/73/197100773.db2.gz LILPDFUHCABIFR-UHFFFAOYSA-N 0 0 308.263 2.241 10 30 DEEERN CC(C)N(CCc1nccs1)S(=O)(=O)CCCC#N ZINC000155562671 197067276 /nfs/dbraw/zinc/06/72/76/197067276.db2.gz IHGQBSVPFQOZRS-UHFFFAOYSA-N 0 0 301.437 2.030 10 30 DEEERN N#Cc1ccsc1NC(=O)CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC000155379683 197048726 /nfs/dbraw/zinc/04/87/26/197048726.db2.gz BOZUNDFPXMHDCD-OLZOCXBDSA-N 0 0 305.403 2.059 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000120550503 195188940 /nfs/dbraw/zinc/18/89/40/195188940.db2.gz PDJSDKYXACSMEE-CQSZACIVSA-N 0 0 301.371 2.172 10 30 DEEERN N#CCCN(CCC#N)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000122802586 224610768 /nfs/dbraw/zinc/61/07/68/224610768.db2.gz HBKDUPNWZBJDKC-INIZCTEOSA-N 0 0 321.808 2.347 10 30 DEEERN CCN(CC(=O)N(C)C)c1cc(Br)ccc1C#N ZINC000123151572 195548686 /nfs/dbraw/zinc/54/86/86/195548686.db2.gz YMFWQQUCDTVWLD-UHFFFAOYSA-N 0 0 310.195 2.235 10 30 DEEERN CC[C@@H](CSC)N(C)C(=O)c1ccncc1C#CCCO ZINC000124496417 195647642 /nfs/dbraw/zinc/64/76/42/195647642.db2.gz FBKTYMHMPHRHHI-AWEZNQCLSA-N 0 0 306.431 2.029 10 30 DEEERN CSC[C@H](C)N(C)C(=O)c1ccc(C#CCCO)c(F)c1 ZINC000124508051 195648741 /nfs/dbraw/zinc/64/87/41/195648741.db2.gz GXECQSNUYXJYHC-LBPRGKRZSA-N 0 0 309.406 2.383 10 30 DEEERN CC[C@H]1CN(C(=O)c2ccc(C#N)cc2)CCN1CC(F)F ZINC000125788631 195785080 /nfs/dbraw/zinc/78/50/80/195785080.db2.gz DWMHUASTTOGJBV-AWEZNQCLSA-N 0 0 307.344 2.360 10 30 DEEERN COCCCOc1ccc(C(=O)NC2(C#N)CCCC2)cn1 ZINC000101642236 533293707 /nfs/dbraw/zinc/29/37/07/533293707.db2.gz ZOAUYZPHTBWBKR-UHFFFAOYSA-N 0 0 303.362 2.063 10 30 DEEERN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]1CC(C)(C)C ZINC000407974801 533396648 /nfs/dbraw/zinc/39/66/48/533396648.db2.gz GHWJXPCIGXBJFF-QWHCGFSZSA-N 0 0 301.456 2.366 10 30 DEEERN COC(=O)CCN(CC#N)Cc1cccc(Br)c1 ZINC000192331022 533410591 /nfs/dbraw/zinc/41/05/91/533410591.db2.gz KBHIEOXQPJOEJJ-UHFFFAOYSA-N 0 0 311.179 2.338 10 30 DEEERN COc1cccc(CCNC(=O)N(C)Cc2cccc(C#N)c2)n1 ZINC000441457800 533460066 /nfs/dbraw/zinc/46/00/66/533460066.db2.gz PCVCAUFEHWNTRY-UHFFFAOYSA-N 0 0 324.384 2.346 10 30 DEEERN COc1cccc(F)c1[C@@H](C)NS(=O)(=O)CCCC#N ZINC000173596295 533569936 /nfs/dbraw/zinc/56/99/36/533569936.db2.gz RIWHAZNQFUYKGD-SNVBAGLBSA-N 0 0 300.355 2.118 10 30 DEEERN Cc1cc(C(=O)Nc2cc(C#N)ccn2)ccc1-n1cncn1 ZINC000357417199 133076845 /nfs/dbraw/zinc/07/68/45/133076845.db2.gz WZKAMKYVIFZJJH-UHFFFAOYSA-N 0 0 304.313 2.095 10 30 DEEERN N#Cc1ccnc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)c1 ZINC000357425995 133077442 /nfs/dbraw/zinc/07/74/42/133077442.db2.gz NMLIDHUAPREWIL-AWEZNQCLSA-N 0 0 320.352 2.483 10 30 DEEERN COc1ncc(CN2CCO[C@H](c3cccc(C#N)c3)C2)c(C)n1 ZINC000376748686 133305996 /nfs/dbraw/zinc/30/59/96/133305996.db2.gz CBRGHRCCALIEQS-KRWDZBQOSA-N 0 0 324.384 2.239 10 30 DEEERN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)cc1 ZINC000356355750 404472019 /nfs/dbraw/zinc/47/20/19/404472019.db2.gz HFFDHOYWVZOJTD-ZNMIVQPWSA-N 0 0 315.373 2.358 10 30 DEEERN C[C@H](NC(=O)c1cc(C#N)cs1)c1nnc2n1CCCC2 ZINC000178601877 144861229 /nfs/dbraw/zinc/86/12/29/144861229.db2.gz JRLZENZGTGIVFD-VIFPVBQESA-N 0 0 301.375 2.039 10 30 DEEERN CNC(=O)[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000178904578 144867836 /nfs/dbraw/zinc/86/78/36/144867836.db2.gz UWJYYMVTPHBVEN-GFCCVEGCSA-N 0 0 308.769 2.104 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)CCc2ccco2)cn1 ZINC000183679643 144933018 /nfs/dbraw/zinc/93/30/18/144933018.db2.gz OMTNDIMOWWQUJV-UHFFFAOYSA-N 0 0 307.313 2.303 10 30 DEEERN CO[C@H]1CN(C(=O)NCc2cc(C#N)ccc2F)CC[C@@H]1C ZINC000187582996 145000647 /nfs/dbraw/zinc/00/06/47/145000647.db2.gz GHEXJLSUPGOVBG-NHYWBVRUSA-N 0 0 305.353 2.264 10 30 DEEERN C[C@@]1(c2ccccn2)NC(=O)N(Cc2ccc(C#N)c(F)c2)C1=O ZINC000187884919 145004171 /nfs/dbraw/zinc/00/41/71/145004171.db2.gz LCPZEFUWUOWGJZ-KRWDZBQOSA-N 0 0 324.315 2.060 10 30 DEEERN N#Cc1c(F)cccc1C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000189399577 145027240 /nfs/dbraw/zinc/02/72/40/145027240.db2.gz FGZULCLPRDUHGR-CYBMUJFWSA-N 0 0 317.345 2.368 10 30 DEEERN CCOc1ccc(CNC(=O)c2ccnc(C#N)c2)cc1OC ZINC000192678382 145077205 /nfs/dbraw/zinc/07/72/05/145077205.db2.gz MBLMPKUABSZFRJ-UHFFFAOYSA-N 0 0 311.341 2.291 10 30 DEEERN COc1cc(NC(=O)c2ccnc(C#N)c2)ccc1NC(C)=O ZINC000192741178 145078271 /nfs/dbraw/zinc/07/82/71/145078271.db2.gz FQRUFNKQTMLFSX-UHFFFAOYSA-N 0 0 310.313 2.173 10 30 DEEERN COc1cccc2c1nc(NC(=O)c1ccnc(C#N)c1)n2C ZINC000193857956 145091067 /nfs/dbraw/zinc/09/10/67/145091067.db2.gz PXQDNEHIVUXUEF-UHFFFAOYSA-N 0 0 307.313 2.101 10 30 DEEERN C#CC[C@H](NC(=O)N[C@H](CC)[C@@H](O)C(F)F)c1ccccc1 ZINC000297179233 404486607 /nfs/dbraw/zinc/48/66/07/404486607.db2.gz FMTPTCRTUZJJDH-HZSPNIEDSA-N 0 0 310.344 2.455 10 30 DEEERN CCOCc1nc([C@@H](C)NC(=O)c2cccc(C#N)c2C)no1 ZINC000358422664 147131498 /nfs/dbraw/zinc/13/14/98/147131498.db2.gz NDJLSZCDLKISBG-LLVKDONJSA-N 0 0 314.345 2.277 10 30 DEEERN CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC[C@@H](C)C1 ZINC000358710246 147187027 /nfs/dbraw/zinc/18/70/27/147187027.db2.gz APFCUVFGGVZAJV-ZDUSSCGKSA-N 0 0 311.389 2.309 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCn2nccc21 ZINC000375586460 148388812 /nfs/dbraw/zinc/38/88/12/148388812.db2.gz GHRMVDFFYXTAIK-MRXNPFEDSA-N 0 0 310.357 2.205 10 30 DEEERN N#CCOc1ccccc1C(=O)N1CCC(Cn2cccn2)CC1 ZINC000126430490 401693701 /nfs/dbraw/zinc/69/37/01/401693701.db2.gz PMZWZGLXXPSYLR-UHFFFAOYSA-N 0 0 324.384 2.338 10 30 DEEERN CC#CCNC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000126528762 401698585 /nfs/dbraw/zinc/69/85/85/401698585.db2.gz XTYOCNUXFOEOFM-CQSZACIVSA-N 0 0 306.793 2.234 10 30 DEEERN C=CCc1ccc(OCC(=O)N(C)C[C@H]2CCCO2)c(OC)c1 ZINC000072013212 401700922 /nfs/dbraw/zinc/70/09/22/401700922.db2.gz HOJKRCIPLNADAM-OAHLLOKOSA-N 0 0 319.401 2.440 10 30 DEEERN N#Cc1ccc(SCC(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000077161206 401804402 /nfs/dbraw/zinc/80/44/02/401804402.db2.gz WLJCYUAXKDCYFG-ZFWWWQNUSA-N 0 0 304.415 2.318 10 30 DEEERN CN(CCC#N)S(=O)(=O)NCc1ccc(Cl)cc1Cl ZINC000027938085 401848731 /nfs/dbraw/zinc/84/87/31/401848731.db2.gz KXJNSQGUKIEPLP-UHFFFAOYSA-N 0 0 322.217 2.173 10 30 DEEERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n1 ZINC000116776358 401858595 /nfs/dbraw/zinc/85/85/95/401858595.db2.gz DJJMWFRSVALJSX-INIZCTEOSA-N 0 0 323.400 2.319 10 30 DEEERN CC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000079637579 401878509 /nfs/dbraw/zinc/87/85/09/401878509.db2.gz SQVNZAUVRHUCSN-ZDUSSCGKSA-N 0 0 320.780 2.344 10 30 DEEERN C=C(C)COCCNS(=O)(=O)c1c(F)cccc1Cl ZINC000133075688 401879027 /nfs/dbraw/zinc/87/90/27/401879027.db2.gz GKSWMMHKGVSVFI-UHFFFAOYSA-N 0 0 307.774 2.350 10 30 DEEERN Cc1ccc(NC(=O)Cc2noc(-c3cc(C#N)cn3C)n2)cc1 ZINC000081533096 401896661 /nfs/dbraw/zinc/89/66/61/401896661.db2.gz DZGCGUIOZMOYFF-UHFFFAOYSA-N 0 0 321.340 2.436 10 30 DEEERN C=CCN(CC=C)C(=O)CNc1ccccc1N(C)C(C)=O ZINC000118389075 401896982 /nfs/dbraw/zinc/89/69/82/401896982.db2.gz HMJBUUKXYSMCCY-UHFFFAOYSA-N 0 0 301.390 2.282 10 30 DEEERN N#CCCN(Cc1cccnc1)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000134223302 401900982 /nfs/dbraw/zinc/90/09/82/401900982.db2.gz OYZNRCWQTOYNJX-AWEZNQCLSA-N 0 0 309.373 2.167 10 30 DEEERN CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2Br)C1 ZINC000134665054 401910490 /nfs/dbraw/zinc/91/04/90/401910490.db2.gz UELKARXUUHFTBF-LBPRGKRZSA-N 0 0 322.206 2.426 10 30 DEEERN C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cc(C#N)cn1C ZINC000118984894 401917292 /nfs/dbraw/zinc/91/72/92/401917292.db2.gz RBQMLDUANMKIRU-LLVKDONJSA-N 0 0 313.332 2.427 10 30 DEEERN CCCC[C@H](NC(=O)NCC)C(=O)Nc1cccc(C#N)c1 ZINC000136411327 401967435 /nfs/dbraw/zinc/96/74/35/401967435.db2.gz MHTAYXOOJKHYTD-AWEZNQCLSA-N 0 0 302.378 2.375 10 30 DEEERN CCOC(=O)CC[C@@H](C)NC(=O)NCc1cccc(C#N)c1 ZINC000089889527 401971063 /nfs/dbraw/zinc/97/10/63/401971063.db2.gz KODAOERZEFSVEG-GFCCVEGCSA-N 0 0 303.362 2.089 10 30 DEEERN CC(=O)N(CCc1ccccc1)CC(=O)NC1(C#N)CCCC1 ZINC000090455937 401982659 /nfs/dbraw/zinc/98/26/59/401982659.db2.gz IRRUOOOTOKTWPW-UHFFFAOYSA-N 0 0 313.401 2.030 10 30 DEEERN O=C(ON1C(=O)CCC1=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000145733145 401991725 /nfs/dbraw/zinc/99/17/25/401991725.db2.gz QPVZCYNJSZSASF-AWEZNQCLSA-N 0 0 316.357 2.284 10 30 DEEERN N#Cc1ccc(CCC(=O)Nc2cnn(-c3ncccn3)c2)cc1 ZINC000151833313 402059671 /nfs/dbraw/zinc/05/96/71/402059671.db2.gz JNRJDWQRIPCELI-UHFFFAOYSA-N 0 0 318.340 2.105 10 30 DEEERN COc1cc(CNC(=O)c2sccc2C#N)cc(OC)c1O ZINC000052148516 402040107 /nfs/dbraw/zinc/04/01/07/402040107.db2.gz VLMJBAFHALQXJU-UHFFFAOYSA-N 0 0 318.354 2.273 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000122467396 402079878 /nfs/dbraw/zinc/07/98/78/402079878.db2.gz FEWAYDMTAHSRGP-UHFFFAOYSA-N 0 0 302.327 2.321 10 30 DEEERN COc1ccc2c(c1)OC[C@@H](C(=O)NC1(C#N)CCCC1)C2 ZINC000064656369 402120729 /nfs/dbraw/zinc/12/07/29/402120729.db2.gz BSVXPMOZEYPTOD-ZDUSSCGKSA-N 0 0 300.358 2.199 10 30 DEEERN Cc1cc(C)n(C[C@@H]2CN(Cc3ccc(C#N)s3)CCO2)n1 ZINC000122629256 402088008 /nfs/dbraw/zinc/08/80/08/402088008.db2.gz HQFRBALUEYPUOU-AWEZNQCLSA-N 0 0 316.430 2.334 10 30 DEEERN N#Cc1cccc(NC(=O)CN2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000152542036 402100006 /nfs/dbraw/zinc/10/00/06/402100006.db2.gz IQJJWKFTOVXYCY-QGZVFWFLSA-N 0 0 322.368 2.045 10 30 DEEERN Cc1nc(CN2CCN(Cc3ccc(C#N)o3)CC2)cs1 ZINC000123940640 402155349 /nfs/dbraw/zinc/15/53/49/402155349.db2.gz MWQICSKZQUHOPC-UHFFFAOYSA-N 0 0 302.403 2.234 10 30 DEEERN N#Cc1cccc(NC(=O)N2CCC(Nc3cccnn3)CC2)c1 ZINC000124482024 402182008 /nfs/dbraw/zinc/18/20/08/402182008.db2.gz JKAXDKHBMZJFNZ-UHFFFAOYSA-N 0 0 322.372 2.457 10 30 DEEERN C[C@@H](NS(=O)(=O)CCCCC#N)c1ccc2c(c1)OCCO2 ZINC000104111711 402198350 /nfs/dbraw/zinc/19/83/50/402198350.db2.gz MPQSGICQPFSBKL-GFCCVEGCSA-N 0 0 324.402 2.132 10 30 DEEERN N#Cc1cnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)cn1 ZINC000125522715 402237156 /nfs/dbraw/zinc/23/71/56/402237156.db2.gz DWQCURJLVKVQDI-UHFFFAOYSA-N 0 0 322.294 2.474 10 30 DEEERN C=CCCCN(C)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000125710513 402246449 /nfs/dbraw/zinc/24/64/49/402246449.db2.gz ZMWVTXLDSAGGTD-UHFFFAOYSA-N 0 0 307.369 2.163 10 30 DEEERN C=CCCOCCNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000155451247 402257617 /nfs/dbraw/zinc/25/76/17/402257617.db2.gz WEZHHCFLIDJQBT-UHFFFAOYSA-N 0 0 320.364 2.275 10 30 DEEERN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000108613383 402258664 /nfs/dbraw/zinc/25/86/64/402258664.db2.gz RZDGPOGLTSLHEY-ZYHUDNBSSA-N 0 0 303.387 2.155 10 30 DEEERN Cc1[nH]c(C(=O)N[C@H](C#N)C2CC2)c(C)c1C(=O)OC(C)C ZINC000108829774 402262658 /nfs/dbraw/zinc/26/26/58/402262658.db2.gz ITEZPBPJPYOQQM-GFCCVEGCSA-N 0 0 303.362 2.229 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CCO1 ZINC000106051870 402212123 /nfs/dbraw/zinc/21/21/23/402212123.db2.gz PSLQPEMYTDZQLO-CYBMUJFWSA-N 0 0 300.289 2.450 10 30 DEEERN C=C[C@@H](CC(=O)N1CCN(c2cccnn2)CC1)c1ccccc1 ZINC000125085018 402212752 /nfs/dbraw/zinc/21/27/52/402212752.db2.gz CBGWEULFDAUYGR-INIZCTEOSA-N 0 0 322.412 2.485 10 30 DEEERN N#CC1(C(=O)N2CCC[C@@H](c3nccs3)C2)CCOCC1 ZINC000109143288 402269123 /nfs/dbraw/zinc/26/91/23/402269123.db2.gz XBBCZGXMLWMTLB-GFCCVEGCSA-N 0 0 305.403 2.169 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000109997269 402279914 /nfs/dbraw/zinc/27/99/14/402279914.db2.gz IDRHHQHVDCOBGZ-KGLIPLIRSA-N 0 0 318.421 2.300 10 30 DEEERN Cc1ccc(CN(C)CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000176193177 402288771 /nfs/dbraw/zinc/28/87/71/402288771.db2.gz KIRZYYWZPROKMX-UHFFFAOYSA-N 0 0 318.398 2.365 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCC([C@H](O)c2nccn2C)CC1 ZINC000184746911 402296652 /nfs/dbraw/zinc/29/66/52/402296652.db2.gz MSGSVUYDWHNDCK-ZFWWWQNUSA-N 0 0 305.422 2.294 10 30 DEEERN COC[C@@](C)(CCO)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000176350161 402301968 /nfs/dbraw/zinc/30/19/68/402301968.db2.gz CEJYXLSJWWFFCJ-MRXNPFEDSA-N 0 0 322.409 2.024 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000184839964 402302882 /nfs/dbraw/zinc/30/28/82/402302882.db2.gz KTCQIAMESBAPDN-CQSZACIVSA-N 0 0 305.422 2.184 10 30 DEEERN N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000176412496 402307156 /nfs/dbraw/zinc/30/71/56/402307156.db2.gz PGRRVIPXLWYBCI-CQSZACIVSA-N 0 0 324.388 2.182 10 30 DEEERN C=C(C)CN(CC)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000161459614 402388348 /nfs/dbraw/zinc/38/83/48/402388348.db2.gz RYKVJPQUWCOCKK-ZDUSSCGKSA-N 0 0 305.426 2.324 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000185792454 402377418 /nfs/dbraw/zinc/37/74/18/402377418.db2.gz URVAYDOGORHEFW-GFCCVEGCSA-N 0 0 305.403 2.217 10 30 DEEERN N#C[C@@H](NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O)C1CC1 ZINC000161831739 402400916 /nfs/dbraw/zinc/40/09/16/402400916.db2.gz OHPAZNHMFXUCHH-NVXWUHKLSA-N 0 0 311.385 2.159 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000186226043 402412647 /nfs/dbraw/zinc/41/26/47/402412647.db2.gz YDHXIVMHOYBGIS-GJZGRUSLSA-N 0 0 321.396 2.031 10 30 DEEERN C=CC[C@@H](C(=O)N1CCS(=O)(=O)C(C)(C)C1)c1ccccc1 ZINC000186278932 402417111 /nfs/dbraw/zinc/41/71/11/402417111.db2.gz VMIWZPIJTAXTEM-OAHLLOKOSA-N 0 0 321.442 2.382 10 30 DEEERN N#Cc1cc(F)ccc1NC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000177905256 402442781 /nfs/dbraw/zinc/44/27/81/402442781.db2.gz DYPKFRCPOMSZOQ-JKSUJKDBSA-N 0 0 311.316 2.477 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(Br)cn1C(C)C ZINC000185946832 402391775 /nfs/dbraw/zinc/39/17/75/402391775.db2.gz WUELENJTVQXDSN-LLVKDONJSA-N 0 0 315.211 2.498 10 30 DEEERN C[C@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCS1 ZINC000246100211 402509969 /nfs/dbraw/zinc/50/99/69/402509969.db2.gz HUUGVGXLNFHQAH-WFASDCNBSA-N 0 0 301.415 2.101 10 30 DEEERN C=CC[C@H](C(=O)N1CCC[C@H](NC(C)=O)C1)c1ccccc1 ZINC000186835603 402466860 /nfs/dbraw/zinc/46/68/60/402466860.db2.gz XAXADPYXAGGSSP-IRXDYDNUSA-N 0 0 300.402 2.473 10 30 DEEERN CC(C)(NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(N)=O ZINC000171286571 402574551 /nfs/dbraw/zinc/57/45/51/402574551.db2.gz YTZSXAOBZMZRBR-UHFFFAOYSA-N 0 0 323.352 2.344 10 30 DEEERN C=C(C)CS(=O)(=O)N[C@H](CCCC)C(=O)OC(C)(C)C ZINC000189822426 402560237 /nfs/dbraw/zinc/56/02/37/402560237.db2.gz SXTIQAXIWLVLFK-GFCCVEGCSA-N 0 0 305.440 2.382 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc(C#N)cs1 ZINC000189859406 402563355 /nfs/dbraw/zinc/56/33/55/402563355.db2.gz HDKUKYSDNQGXCF-WZRBSPASSA-N 0 0 304.371 2.033 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)CN(C)S(C)(=O)=O ZINC000189899480 402565942 /nfs/dbraw/zinc/56/59/42/402565942.db2.gz IWPCRTWKRWUYNC-UHFFFAOYSA-N 0 0 324.446 2.368 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171235285 402569303 /nfs/dbraw/zinc/56/93/03/402569303.db2.gz YEBJNQYHHVOGBD-OCCSQVGLSA-N 0 0 307.394 2.140 10 30 DEEERN C=CCSCCNC(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000178664155 402523530 /nfs/dbraw/zinc/52/35/30/402523530.db2.gz CSUHCEUYRRZMBJ-OAHLLOKOSA-N 0 0 322.430 2.394 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000178663543 402523708 /nfs/dbraw/zinc/52/37/08/402523708.db2.gz BYEKSODRTUEXLG-CQSZACIVSA-N 0 0 300.358 2.092 10 30 DEEERN COc1ccc([C@@H](NC(=O)Cn2ccnc2C#N)C2CC2)cc1 ZINC000179873860 402602793 /nfs/dbraw/zinc/60/27/93/402602793.db2.gz FBADRCXFEMYLEU-KRWDZBQOSA-N 0 0 310.357 2.031 10 30 DEEERN Cc1ccc2c(n1)OCCN2C(=O)Cc1cccc(OCC#N)c1 ZINC000180474218 402617578 /nfs/dbraw/zinc/61/75/78/402617578.db2.gz CKBYRLRMMZNXKT-UHFFFAOYSA-N 0 0 323.352 2.261 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171777571 402621674 /nfs/dbraw/zinc/62/16/74/402621674.db2.gz HPDPJDNBORYUOP-INIZCTEOSA-N 0 0 315.417 2.241 10 30 DEEERN Cn1nccc1CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000171308698 402577051 /nfs/dbraw/zinc/57/70/51/402577051.db2.gz GBCIKILWFATJFJ-UHFFFAOYSA-N 0 0 309.373 2.166 10 30 DEEERN CNC(=O)c1ccc(C)c(NCc2cnc3ccc(C#N)cn23)c1 ZINC000180875003 402628956 /nfs/dbraw/zinc/62/89/56/402628956.db2.gz PPIAWBYKIABPPK-UHFFFAOYSA-N 0 0 319.368 2.486 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)CC(C)(C)C ZINC000172301554 402649193 /nfs/dbraw/zinc/64/91/93/402649193.db2.gz YCFVXCCQDJLYSV-JSGCOSHPSA-N 0 0 304.390 2.239 10 30 DEEERN CC(C)[C@H](C)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000181648080 402653156 /nfs/dbraw/zinc/65/31/56/402653156.db2.gz ISFIMXDWWDJYKS-RYUDHWBXSA-N 0 0 303.362 2.077 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1nnc2n1CCCC2 ZINC000173623894 402705508 /nfs/dbraw/zinc/70/55/08/402705508.db2.gz PKDWAMUUVQEGCV-KBPBESRZSA-N 0 0 319.453 2.078 10 30 DEEERN COc1cccc(C(=O)NCCOc2ccc(C#N)cc2)c1O ZINC000173886527 402716972 /nfs/dbraw/zinc/71/69/72/402716972.db2.gz PCRCJWJTADLRHH-UHFFFAOYSA-N 0 0 312.325 2.081 10 30 DEEERN COC(=O)c1cccc(C(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000173885162 402717139 /nfs/dbraw/zinc/71/71/39/402717139.db2.gz WEZCRJFSRUNSGR-UHFFFAOYSA-N 0 0 324.336 2.154 10 30 DEEERN CSc1cc(C(=O)NCCOc2ccc(C#N)cc2)ccn1 ZINC000173892897 402717612 /nfs/dbraw/zinc/71/76/12/402717612.db2.gz VZMBPKPCXYXGDH-UHFFFAOYSA-N 0 0 313.382 2.484 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2cccc3c2OCCO3)cc1 ZINC000173903010 402718158 /nfs/dbraw/zinc/71/81/58/402718158.db2.gz PMKLXZXEPQFKQV-UHFFFAOYSA-N 0 0 324.336 2.138 10 30 DEEERN C=CCOc1cccc(NC(=O)CNC(=O)c2ccccn2)c1 ZINC000172524213 402660489 /nfs/dbraw/zinc/66/04/89/402660489.db2.gz SFWQGNQTISRMNV-UHFFFAOYSA-N 0 0 311.341 2.015 10 30 DEEERN COC(=O)c1ccc(CON=C2CCCc3nonc32)cc1 ZINC000254847225 402671722 /nfs/dbraw/zinc/67/17/22/402671722.db2.gz YETFMPLEHLZWTJ-UHFFFAOYSA-N 0 0 301.302 2.113 10 30 DEEERN COc1ccc(S(=O)(=O)NN=C(C)c2cccs2)cc1 ZINC000254824967 402671816 /nfs/dbraw/zinc/67/18/16/402671816.db2.gz VAMKPRREGWLJJP-UHFFFAOYSA-N 0 0 310.400 2.459 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000182426748 402689154 /nfs/dbraw/zinc/68/91/54/402689154.db2.gz QQZXPYVTODGRCJ-OAHLLOKOSA-N 0 0 313.332 2.329 10 30 DEEERN CN(C)[C@H](C(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000174154731 402728980 /nfs/dbraw/zinc/72/89/80/402728980.db2.gz REIZUXCKJPPWPI-SFHVURJKSA-N 0 0 323.396 2.356 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2nc3cccnc3s2)cc1 ZINC000193962382 402780417 /nfs/dbraw/zinc/78/04/17/402780417.db2.gz DTFJFNSAWYBYBY-UHFFFAOYSA-N 0 0 324.365 2.372 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000183058000 402736241 /nfs/dbraw/zinc/73/62/41/402736241.db2.gz VOKTWGIEAROQNF-STQMWFEESA-N 0 0 322.405 2.309 10 30 DEEERN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(C)CCC1 ZINC000175085726 402778076 /nfs/dbraw/zinc/77/80/76/402778076.db2.gz ZPMUWRYONXCLQY-UHFFFAOYSA-N 0 0 301.390 2.102 10 30 DEEERN Cc1ccc(O)c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC000183687348 402789519 /nfs/dbraw/zinc/78/95/19/402789519.db2.gz ZZKHBVZNRSFJJO-UHFFFAOYSA-N 0 0 319.324 2.405 10 30 DEEERN CC[C@H](CC#N)NC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000183793488 402798000 /nfs/dbraw/zinc/79/80/00/402798000.db2.gz BYLSMZWKSFGIAO-LLVKDONJSA-N 0 0 303.337 2.375 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000183973031 402809954 /nfs/dbraw/zinc/80/99/54/402809954.db2.gz LDCYPQWVWSKDGY-RKDXNWHRSA-N 0 0 314.311 2.342 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CCCF ZINC000175508560 402813014 /nfs/dbraw/zinc/81/30/14/402813014.db2.gz NNPQBWOHWLUNBV-UHFFFAOYSA-N 0 0 303.311 2.392 10 30 DEEERN Cc1ccnc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 ZINC000184112187 402819554 /nfs/dbraw/zinc/81/95/54/402819554.db2.gz RCSLKCLRAFKMFR-UHFFFAOYSA-N 0 0 322.372 2.011 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(CC)c(S(N)(=O)=O)c1 ZINC000184245900 402830311 /nfs/dbraw/zinc/83/03/11/402830311.db2.gz FQGHBUVWQRAPGX-LLVKDONJSA-N 0 0 310.419 2.437 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000184262254 402831426 /nfs/dbraw/zinc/83/14/26/402831426.db2.gz LRGTZMOCCFIOKR-KBPBESRZSA-N 0 0 317.437 2.206 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000279015288 402895376 /nfs/dbraw/zinc/89/53/76/402895376.db2.gz IBWAZBNYIZDIOU-JGVFFNPUSA-N 0 0 323.340 2.459 10 30 DEEERN C=C(Cl)CNC(=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000265480117 402922628 /nfs/dbraw/zinc/92/26/28/402922628.db2.gz CNEIFGCFNVNVOO-GFCCVEGCSA-N 0 0 310.806 2.070 10 30 DEEERN C=C(Cl)CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000265478820 402922839 /nfs/dbraw/zinc/92/28/39/402922839.db2.gz OXGBCDTXRYLZHP-UHFFFAOYSA-N 0 0 324.185 2.142 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000280584393 403015484 /nfs/dbraw/zinc/01/54/84/403015484.db2.gz WZCIMEBKOLRQBE-UHFFFAOYSA-N 0 0 324.764 2.148 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000273661179 403023891 /nfs/dbraw/zinc/02/38/91/403023891.db2.gz GLEKVBAQBWNLDK-PQUAAJSLSA-N 0 0 318.417 2.053 10 30 DEEERN CC(C)(C)[C@H]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C[C@@H]1O ZINC000273180154 402979965 /nfs/dbraw/zinc/97/99/65/402979965.db2.gz AXQYYVNBMBCXLI-RYUDHWBXSA-N 0 0 304.350 2.095 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@H](C(=O)OC)C1 ZINC000283021256 403165016 /nfs/dbraw/zinc/16/50/16/403165016.db2.gz SVNUHIXOLOOBET-AWEZNQCLSA-N 0 0 320.437 2.442 10 30 DEEERN CC(=O)CCC(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000282175366 403129423 /nfs/dbraw/zinc/12/94/23/403129423.db2.gz VJIXFHQBVYSHDN-GFCCVEGCSA-N 0 0 309.163 2.499 10 30 DEEERN C=CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC ZINC000282207585 403132342 /nfs/dbraw/zinc/13/23/42/403132342.db2.gz HMYXRWKUXVCJHL-CQSZACIVSA-N 0 0 300.362 2.433 10 30 DEEERN C=CCn1c(-c2cccnc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000282545731 403156072 /nfs/dbraw/zinc/15/60/72/403156072.db2.gz IKMJNJPBTNYJRT-INIZCTEOSA-N 0 0 324.432 2.201 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CCC(C(=O)NC)CC1 ZINC000282539190 403156216 /nfs/dbraw/zinc/15/62/16/403156216.db2.gz HVVBKBIMLMSAEE-UHFFFAOYSA-N 0 0 319.453 2.015 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N(C)CCNC(=O)C(C)C ZINC000282523218 403156231 /nfs/dbraw/zinc/15/62/31/403156231.db2.gz GPMOPPCQQYTPNY-UHFFFAOYSA-N 0 0 321.469 2.261 10 30 DEEERN C#CCC(CC#C)C(=O)NCCc1nc2cc(F)ccc2n1C ZINC000277291043 403201596 /nfs/dbraw/zinc/20/15/96/403201596.db2.gz AHLVDZXNMMMMIG-UHFFFAOYSA-N 0 0 311.360 2.034 10 30 DEEERN C#CCOc1ccccc1CN1C(=O)[C@@H]2[C@@H]3CCC[C@H]3CN2C1=O ZINC000277433441 403217043 /nfs/dbraw/zinc/21/70/43/403217043.db2.gz BOBBOHNDSIBTKL-LXZKKBNFSA-N 0 0 324.380 2.261 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000277502972 403224542 /nfs/dbraw/zinc/22/45/42/403224542.db2.gz SAJSWERNZMDARI-UHFFFAOYSA-N 0 0 319.368 2.276 10 30 DEEERN N#CC1(c2ccc(C(=O)N3CC[C@H](N4CCCC4=O)C3)cc2)CC1 ZINC000276704797 403193040 /nfs/dbraw/zinc/19/30/40/403193040.db2.gz LBWSWJISJWIECD-INIZCTEOSA-N 0 0 323.396 2.079 10 30 DEEERN C#CCOc1ccc(CN(C)Cc2nc([C@@H](C)OC)no2)cc1 ZINC000271241256 403282695 /nfs/dbraw/zinc/28/26/95/403282695.db2.gz YSHYHCNICPJLHZ-CYBMUJFWSA-N 0 0 315.373 2.421 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCC(c2ccncc2)CC1 ZINC000297930334 403288016 /nfs/dbraw/zinc/28/80/16/403288016.db2.gz CPNLFQZUSISFKW-UHFFFAOYSA-N 0 0 315.417 2.212 10 30 DEEERN C=CCN(C(=O)CCOCC)c1nc(C(=O)OCC)cs1 ZINC000342689247 403309948 /nfs/dbraw/zinc/30/99/48/403309948.db2.gz NPRWQAKTJCFKPH-UHFFFAOYSA-N 0 0 312.391 2.265 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N[C@@H]1CCC[C@H](CO)C1 ZINC000298509968 403401138 /nfs/dbraw/zinc/40/11/38/403401138.db2.gz BFBQCHJKCLRBEM-GOEBONIOSA-N 0 0 316.401 2.049 10 30 DEEERN C#CCOc1ccc(CNC(=O)N[C@@H]2CCC[C@@H](CO)C2)cc1 ZINC000298738873 403452632 /nfs/dbraw/zinc/45/26/32/403452632.db2.gz XVTLKCOKALXLJW-HZPDHXFCSA-N 0 0 316.401 2.049 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1cscc1Br ZINC000346641876 403597110 /nfs/dbraw/zinc/59/71/10/403597110.db2.gz FIEMOEMQUWKOFE-VIFPVBQESA-N 0 0 304.209 2.106 10 30 DEEERN C=CCCCN(C)C(=O)c1cc2c(nc3ccccn3c2=O)n1C ZINC000346808068 403603086 /nfs/dbraw/zinc/60/30/86/403603086.db2.gz VAYQYAJHNKMAKV-UHFFFAOYSA-N 0 0 324.384 2.224 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCOCC1CC1 ZINC000287256189 403561015 /nfs/dbraw/zinc/56/10/15/403561015.db2.gz HOUBWIFXEBUBRX-KRWDZBQOSA-N 0 0 300.402 2.347 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCCN(c2ccccc2F)CC1 ZINC000343412867 403576961 /nfs/dbraw/zinc/57/69/61/403576961.db2.gz PIQONGFLMNZYEO-KRWDZBQOSA-N 0 0 306.381 2.192 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000346908623 403607610 /nfs/dbraw/zinc/60/76/10/403607610.db2.gz DFUUOQLUQSLARH-DLBZAZTESA-N 0 0 324.465 2.071 10 30 DEEERN C=CCO[C@H]1CCN(c2ncccc2C(=O)N2CCCCC2)C1 ZINC000302132522 403707527 /nfs/dbraw/zinc/70/75/27/403707527.db2.gz HAPLQOCGQPHZHD-HNNXBMFYSA-N 0 0 315.417 2.489 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1 ZINC000295129986 403768698 /nfs/dbraw/zinc/76/86/98/403768698.db2.gz ZTWSQRAGWUCSNP-CJNGLKHVSA-N 0 0 318.323 2.110 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NO[C@H]1CCCCO1 ZINC000288574834 403758370 /nfs/dbraw/zinc/75/83/70/403758370.db2.gz GFUDCFJNZIHIDU-CVEARBPZSA-N 0 0 302.374 2.378 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)CCOCc1ccccc1 ZINC000288926179 403794805 /nfs/dbraw/zinc/79/48/05/403794805.db2.gz XVZVBBSLKFTDOF-ZBFHGGJFSA-N 0 0 306.406 2.218 10 30 DEEERN C=CC[C@@H]1N(C(=O)C(=O)Nc2ccnnc2C)CCCC1(C)C ZINC000411478054 403867252 /nfs/dbraw/zinc/86/72/52/403867252.db2.gz XMDODKTUFIGFKO-AWEZNQCLSA-N 0 0 316.405 2.317 10 30 DEEERN C=CCN(C)C(=O)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000354564665 403879010 /nfs/dbraw/zinc/87/90/10/403879010.db2.gz YSNKJWQVGCXRFY-UHFFFAOYSA-N 0 0 316.357 2.013 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ncoc1-c1ccc(OC)cc1 ZINC000289241866 403882770 /nfs/dbraw/zinc/88/27/70/403882770.db2.gz AHYQIKWILXSYNI-GFCCVEGCSA-N 0 0 302.330 2.017 10 30 DEEERN C=CCC(C)(C)C(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2 ZINC000351833969 403949527 /nfs/dbraw/zinc/94/95/27/403949527.db2.gz CBZXRJOSBFTIJX-UHFFFAOYSA-N 0 0 315.417 2.071 10 30 DEEERN C#CCCOc1ccc(CN2CCO[C@]3(CCCOC3)C2)cc1 ZINC000289528159 403982732 /nfs/dbraw/zinc/98/27/32/403982732.db2.gz PULKLPJZBZJEKW-LJQANCHMSA-N 0 0 315.413 2.470 10 30 DEEERN C=CCCCCNS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000314337640 403995064 /nfs/dbraw/zinc/99/50/64/403995064.db2.gz OPXCDAWAVYGCON-UHFFFAOYSA-N 0 0 311.403 2.037 10 30 DEEERN C=CCn1c(C)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000289861911 404004763 /nfs/dbraw/zinc/00/47/63/404004763.db2.gz YMYYBXFCROWJFR-ZDUSSCGKSA-N 0 0 313.409 2.083 10 30 DEEERN C=CCC(CC=C)C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000354835910 404044114 /nfs/dbraw/zinc/04/41/14/404044114.db2.gz VJZAFUBNNUVWGN-UHFFFAOYSA-N 0 0 310.401 2.370 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cncc3ccccc32)CCN1C1CC1 ZINC000363079478 404064410 /nfs/dbraw/zinc/06/44/10/404064410.db2.gz AASAEPAKHXUFQF-HNNXBMFYSA-N 0 0 306.369 2.047 10 30 DEEERN C=CCOCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000354874722 404071967 /nfs/dbraw/zinc/07/19/67/404071967.db2.gz AXOWVPFQIHAWDB-UHFFFAOYSA-N 0 0 300.358 2.131 10 30 DEEERN Cc1cncc(NC(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)c1 ZINC000328617620 404114911 /nfs/dbraw/zinc/11/49/11/404114911.db2.gz CXTJRPGUPJKVQQ-LSDHHAIUSA-N 0 0 315.377 2.179 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(c3nc(C)cnc3C)C2)n1 ZINC000328614620 404115745 /nfs/dbraw/zinc/11/57/45/404115745.db2.gz WJLNKDATCKQJGN-ZDUSSCGKSA-N 0 0 300.366 2.349 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C([O-])=[NH+]c3cccnc3)C2)n1 ZINC000328630830 404119004 /nfs/dbraw/zinc/11/90/04/404119004.db2.gz QGIMPHSEYWABAZ-ZDUSSCGKSA-N 0 0 314.349 2.379 10 30 DEEERN C=CCCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000344452383 404148420 /nfs/dbraw/zinc/14/84/20/404148420.db2.gz XDGUSFGTRUFPEQ-DOTOQJQBSA-N 0 0 316.401 2.297 10 30 DEEERN C[C@](CO)(NC(=O)N[C@@H]1CCO[C@@H]1C1CC1)C1CCCCC1 ZINC000328822111 404157460 /nfs/dbraw/zinc/15/74/60/404157460.db2.gz FZYZLKYUTOFRIZ-BFYDXBDKSA-N 0 0 310.438 2.389 10 30 DEEERN C[C@@H]1CCC[C@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[C@@H]1C ZINC000363405347 404159654 /nfs/dbraw/zinc/15/96/54/404159654.db2.gz RNCCCJGVGBNEHV-VDERGJSUSA-N 0 0 304.438 2.193 10 30 DEEERN CCC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)CCO1 ZINC000328846798 404161696 /nfs/dbraw/zinc/16/16/96/404161696.db2.gz AMUPIPNOQSGNFL-NFAWXSAZSA-N 0 0 309.410 2.299 10 30 DEEERN O=C(N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000328874652 404165258 /nfs/dbraw/zinc/16/52/58/404165258.db2.gz FRMPXIZIIDYRFR-CFVMTHIKSA-N 0 0 306.406 2.061 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccc(C)cc1OC ZINC000290509906 404199478 /nfs/dbraw/zinc/19/94/78/404199478.db2.gz NHIZRZVAYZSJJH-UHFFFAOYSA-N 0 0 304.390 2.044 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000349964714 404276707 /nfs/dbraw/zinc/27/67/07/404276707.db2.gz KROTWTOAAOGJIH-GFCCVEGCSA-N 0 0 324.427 2.025 10 30 DEEERN C=C(Cl)CNC(=O)N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000364002598 404280899 /nfs/dbraw/zinc/28/08/99/404280899.db2.gz NIIAAFUEHHWZIH-GFCCVEGCSA-N 0 0 313.785 2.344 10 30 DEEERN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000329400546 404326564 /nfs/dbraw/zinc/32/65/64/404326564.db2.gz XUVWPBSLCOBHQS-OCCSQVGLSA-N 0 0 320.393 2.293 10 30 DEEERN Cc1cnn(CC(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000329441515 404336834 /nfs/dbraw/zinc/33/68/34/404336834.db2.gz BHQSEYBTFMLIAR-CQSZACIVSA-N 0 0 301.394 2.483 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@H]1CCN(c2ccccc2Cl)C1 ZINC000290914144 404355372 /nfs/dbraw/zinc/35/53/72/404355372.db2.gz PQSDOZLVRRERAZ-QWHCGFSZSA-N 0 0 308.809 2.220 10 30 DEEERN C#CCOc1ccccc1NC(=O)N[C@H](CC)[C@H](O)C(F)F ZINC000296555479 404304384 /nfs/dbraw/zinc/30/43/84/404304384.db2.gz CBRMIMYOEOPRME-MFKMUULPSA-N 0 0 312.316 2.225 10 30 DEEERN CO[C@@H]1C[C@@H](CO)N(C(=O)NCC2C3CC4CC(C3)CC2C4)C1 ZINC000329388252 404322735 /nfs/dbraw/zinc/32/27/35/404322735.db2.gz RFSXKPMTASQORI-KTLTXMRPSA-N 0 0 322.449 2.054 10 30 DEEERN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1ncnn1C ZINC000338400929 404368295 /nfs/dbraw/zinc/36/82/95/404368295.db2.gz UEIZPRYTBNTINJ-UHFFFAOYSA-N 0 0 313.748 2.012 10 30 DEEERN N#Cc1cnccc1NCc1nccn1CCc1ccccc1 ZINC000567440038 292313255 /nfs/dbraw/zinc/31/32/55/292313255.db2.gz UQPBAEKSVYKHBT-UHFFFAOYSA-N 0 0 303.369 2.426 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)NCc1ncccc1O ZINC000352508051 404422508 /nfs/dbraw/zinc/42/25/08/404422508.db2.gz LOJINJZEPVZTFD-UHFFFAOYSA-N 0 0 314.341 2.291 10 30 DEEERN C[C@@H](CC1CC1)NC(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000329929020 404498409 /nfs/dbraw/zinc/49/84/09/404498409.db2.gz YLFDMYKOMUNBEL-UBHSHLNASA-N 0 0 321.400 2.086 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000342312686 404501642 /nfs/dbraw/zinc/50/16/42/404501642.db2.gz FOURJCOPVQGCAV-HZPDHXFCSA-N 0 0 322.449 2.219 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NCC(C)(C)C)cc2C1=O ZINC000351052395 404507153 /nfs/dbraw/zinc/50/71/53/404507153.db2.gz KJYNMOJPEMGUBH-UHFFFAOYSA-N 0 0 300.358 2.245 10 30 DEEERN O=C(Nc1cccc2c1OCC(=O)N2)N1CCO[C@H](C2CC2)C1 ZINC000329795341 404454274 /nfs/dbraw/zinc/45/42/74/404454274.db2.gz WIEDMKTUHFENFJ-ZDUSSCGKSA-N 0 0 317.345 2.323 10 30 DEEERN C=CCN(C)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000342235737 404457794 /nfs/dbraw/zinc/45/77/94/404457794.db2.gz NMVGJRVMVPCWST-HIFRSBDPSA-N 0 0 301.390 2.003 10 30 DEEERN C=CCCN(C)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000342241900 404462090 /nfs/dbraw/zinc/46/20/90/404462090.db2.gz VGNPWTVOIQCCGD-HOCLYGCPSA-N 0 0 315.417 2.394 10 30 DEEERN O=C(CN1CCO[C@H](C2CC2)C1)Nc1ccc2c(c1)OCO2 ZINC000330141713 404563180 /nfs/dbraw/zinc/56/31/80/404563180.db2.gz QEHDVLQJDCNHLW-HNNXBMFYSA-N 0 0 304.346 2.114 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CCC[C@@H](C(=O)OCC)C2)cc1 ZINC000297509849 404565005 /nfs/dbraw/zinc/56/50/05/404565005.db2.gz GTKUPMHKVTUYDJ-MRXNPFEDSA-N 0 0 314.385 2.153 10 30 DEEERN C=CCCOCCCCc1nc([C@@H]2CC(=O)N(CC)C2)no1 ZINC000351410580 404578526 /nfs/dbraw/zinc/57/85/26/404578526.db2.gz WZYFWNZDHJPIJI-CYBMUJFWSA-N 0 0 307.394 2.321 10 30 DEEERN C=CCCCNC(=O)C(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000342476343 404602746 /nfs/dbraw/zinc/60/27/46/404602746.db2.gz HFCFEOYCRXLWNU-OAHLLOKOSA-N 0 0 302.418 2.467 10 30 DEEERN C#Cc1ccc(CNC(=O)N(CC)C[C@H](O)C(F)(F)F)cc1 ZINC000297745987 404609895 /nfs/dbraw/zinc/60/98/95/404609895.db2.gz UVQAOWAJRXFXLR-ZDUSSCGKSA-N 0 0 314.307 2.123 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cn(C)nc1C1CC1 ZINC000292010942 404626503 /nfs/dbraw/zinc/62/65/03/404626503.db2.gz IQDIBTMMNLPDPB-WFASDCNBSA-N 0 0 304.394 2.400 10 30 DEEERN N#CC1(c2ccccn2)CCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000374309208 404704191 /nfs/dbraw/zinc/70/41/91/404704191.db2.gz XSWRQPXDIGQLCU-UHFFFAOYSA-N 0 0 321.380 2.414 10 30 DEEERN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000375707161 404731598 /nfs/dbraw/zinc/73/15/98/404731598.db2.gz XWBSXVIFFNXNDO-GJZGRUSLSA-N 0 0 311.451 2.287 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000357714938 404741120 /nfs/dbraw/zinc/74/11/20/404741120.db2.gz KALWQPOONDRBNW-ZBFHGGJFSA-N 0 0 316.401 2.279 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000357760619 404742959 /nfs/dbraw/zinc/74/29/59/404742959.db2.gz YNLWHAVPEAYJHC-KBPBESRZSA-N 0 0 310.438 2.121 10 30 DEEERN CC(C)(CCC#N)CNC(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000358697696 404772149 /nfs/dbraw/zinc/77/21/49/404772149.db2.gz SICFKXZXPPRYEE-ZDUSSCGKSA-N 0 0 321.343 2.415 10 30 DEEERN C=CCOc1ccccc1CN1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000352976963 404708576 /nfs/dbraw/zinc/70/85/76/404708576.db2.gz MLWQNUORZYLIHC-HZPDHXFCSA-N 0 0 300.402 2.494 10 30 DEEERN CCc1[nH]c(C(=O)N2CCC(C)(C#N)CC2)c(C)c1C(=O)OC ZINC000356966906 404723142 /nfs/dbraw/zinc/72/31/42/404723142.db2.gz AKWGIGJIYVVODD-UHFFFAOYSA-N 0 0 317.389 2.438 10 30 DEEERN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CCC(C)(C#N)CC2)C1 ZINC000356986137 404723794 /nfs/dbraw/zinc/72/37/94/404723794.db2.gz YMKRIJJSZFPHAI-AWEZNQCLSA-N 0 0 319.449 2.423 10 30 DEEERN C=CCCCC(=O)N1CCCN(C(=O)c2scnc2C)CC1 ZINC000365823805 404726673 /nfs/dbraw/zinc/72/66/73/404726673.db2.gz IHLSYPLTUJFONX-UHFFFAOYSA-N 0 0 321.446 2.482 10 30 DEEERN C=CCN1CC[C@H](N(C)c2cc(C)nc(-c3ccncc3)n2)C1=O ZINC000358655720 404770756 /nfs/dbraw/zinc/77/07/56/404770756.db2.gz ARXUKNLASQVKRC-HNNXBMFYSA-N 0 0 323.400 2.070 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](C)c1c(F)cccc1OC ZINC000358969525 404780694 /nfs/dbraw/zinc/78/06/94/404780694.db2.gz CVQGSTHNSYYRHU-GFCCVEGCSA-N 0 0 322.380 2.436 10 30 DEEERN C=CCCCNC(=O)C(=O)NC[C@H]1SCCc2ccccc21 ZINC000359628870 404798798 /nfs/dbraw/zinc/79/87/98/404798798.db2.gz VDKBUZNNCWDAOT-OAHLLOKOSA-N 0 0 318.442 2.216 10 30 DEEERN C=CCc1ccc(OCC(=O)NC[C@H]2CCC[C@@H]2O)c(OC)c1 ZINC000360199405 404821466 /nfs/dbraw/zinc/82/14/66/404821466.db2.gz QFJOXNIGEOBXQN-CABCVRRESA-N 0 0 319.401 2.080 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCN1CC(F)(F)F ZINC000360580780 404831674 /nfs/dbraw/zinc/83/16/74/404831674.db2.gz JDYSMUDKGISLEH-AVGNSLFASA-N 0 0 320.355 2.111 10 30 DEEERN C(#CCN1CCC[C@H]1c1cc[nH]n1)CN1CCC[C@H]1c1cc[nH]n1 ZINC000367015662 404899082 /nfs/dbraw/zinc/89/90/82/404899082.db2.gz MBMLNTFDCWBMPZ-ROUUACIJSA-N 0 0 324.432 2.110 10 30 DEEERN C(#CCN1CCC[C@@H]1c1cc[nH]n1)CN1CCC[C@@H]1c1cc[nH]n1 ZINC000367015661 404899100 /nfs/dbraw/zinc/89/91/00/404899100.db2.gz MBMLNTFDCWBMPZ-QZTJIDSGSA-N 0 0 324.432 2.110 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CC(C)(CC)C3)cc2C1=O ZINC000360904439 404848811 /nfs/dbraw/zinc/84/88/11/404848811.db2.gz UZYRCPOBLMPMQB-UHFFFAOYSA-N 0 0 312.369 2.341 10 30 DEEERN C#CCN(CC#N)C(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000367180372 404957407 /nfs/dbraw/zinc/95/74/07/404957407.db2.gz LAZUNGAFLLWBQN-INIZCTEOSA-N 0 0 323.396 2.032 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](C)[C@@H](C)C3)cc2C1=O ZINC000435935571 405028971 /nfs/dbraw/zinc/02/89/71/405028971.db2.gz CJOILDCETHLGNE-RYUDHWBXSA-N 0 0 312.369 2.197 10 30 DEEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cc(C#N)ccn1 ZINC000436002147 405034595 /nfs/dbraw/zinc/03/45/95/405034595.db2.gz DHYNYEFVMWUELC-INIZCTEOSA-N 0 0 314.345 2.153 10 30 DEEERN CC#CCCNC(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000361230405 404983847 /nfs/dbraw/zinc/98/38/47/404983847.db2.gz DXHWYAIHQWTWSW-UHFFFAOYSA-N 0 0 313.401 2.004 10 30 DEEERN CC#CCCNC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000361399298 405055315 /nfs/dbraw/zinc/05/53/15/405055315.db2.gz DDMHRYAPGXTVOV-HNNXBMFYSA-N 0 0 315.417 2.234 10 30 DEEERN CCOC1(C)CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000399966025 405062963 /nfs/dbraw/zinc/06/29/63/405062963.db2.gz GPJWXLSSXMASPD-UHFFFAOYSA-N 0 0 314.794 2.011 10 30 DEEERN C[C@H]1N(S(=O)(=O)c2cccc(C#N)c2)CCC12CCOCC2 ZINC000408210591 405139758 /nfs/dbraw/zinc/13/97/58/405139758.db2.gz IYNXRLULNWCKHC-CYBMUJFWSA-N 0 0 320.414 2.138 10 30 DEEERN C=CCCn1cc(C(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)nn1 ZINC000424706716 405154554 /nfs/dbraw/zinc/15/45/54/405154554.db2.gz PFFGKNKYAXGRDD-CQSZACIVSA-N 0 0 316.409 2.105 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)CCOCC1 ZINC000424736356 405163358 /nfs/dbraw/zinc/16/33/58/405163358.db2.gz KCAURIPNSUGJQF-HZPDHXFCSA-N 0 0 301.386 2.134 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc2c(cc1OC)OCO2 ZINC000437507009 405202889 /nfs/dbraw/zinc/20/28/89/405202889.db2.gz KEOKZXNKUWDMDM-MEDUHNTESA-N 0 0 319.357 2.135 10 30 DEEERN C[C@@H]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@H]1O ZINC000408455825 405210949 /nfs/dbraw/zinc/21/09/49/405210949.db2.gz FPBDLTZDCJPMJW-BXKDBHETSA-N 0 0 323.190 2.164 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC000424922964 405213018 /nfs/dbraw/zinc/21/30/18/405213018.db2.gz ICKXEXSTKSRUFT-LXZKKBNFSA-N 0 0 301.386 2.432 10 30 DEEERN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000424770630 405173221 /nfs/dbraw/zinc/17/32/21/405173221.db2.gz BVYVRAAFUAIVAM-CQSZACIVSA-N 0 0 301.390 2.296 10 30 DEEERN C=CCc1cc(C(=O)N2CCC[C@H](O)[C@@H]2C)cc(OC)c1OC ZINC000452708034 405230979 /nfs/dbraw/zinc/23/09/79/405230979.db2.gz LDGYTFUQLOGPBA-WFASDCNBSA-N 0 0 319.401 2.418 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](OC)c1ccccc1 ZINC000425421526 405288143 /nfs/dbraw/zinc/28/81/43/405288143.db2.gz VLXYTXFHGWBRLN-HRCADAONSA-N 0 0 304.390 2.264 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(=O)OC)c(F)c1 ZINC000425652483 405310369 /nfs/dbraw/zinc/31/03/69/405310369.db2.gz BMZYSIFDDFHEMA-HZMBPMFUSA-N 0 0 322.336 2.325 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC)c(F)c1 ZINC000425796304 405320003 /nfs/dbraw/zinc/32/00/03/405320003.db2.gz OWJITAGAIKJJTO-WFASDCNBSA-N 0 0 320.364 2.034 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCO)Cc1ccc(C)cc1 ZINC000425847170 405323949 /nfs/dbraw/zinc/32/39/49/405323949.db2.gz CGRPOTBPPITAFD-IRXDYDNUSA-N 0 0 318.417 2.090 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](CO)CC1CCCC1 ZINC000425845769 405324024 /nfs/dbraw/zinc/32/40/24/405324024.db2.gz BAQCZIUXSMGNLB-PMPSAXMXSA-N 0 0 310.438 2.066 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C(C)C)[C@H](CO)C(C)C ZINC000425872974 405325907 /nfs/dbraw/zinc/32/59/07/405325907.db2.gz JOHPMNKYURBLFG-FZKCQIBNSA-N 0 0 312.454 2.166 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]1[C@@H](C)CCC ZINC000425910886 405328793 /nfs/dbraw/zinc/32/87/93/405328793.db2.gz YWQMOCNIYKNMCS-VGWMRTNUSA-N 0 0 322.449 2.121 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@](C)(O)C1CC1 ZINC000440225035 405306661 /nfs/dbraw/zinc/30/66/61/405306661.db2.gz HYPQWCSKTOOFHU-SJLPKXTDSA-N 0 0 316.401 2.239 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000455417863 405407040 /nfs/dbraw/zinc/40/70/40/405407040.db2.gz ISQDXZMGXLDFHC-KGLIPLIRSA-N 0 0 300.362 2.096 10 30 DEEERN Cc1cc(F)cc(-n2cc(C(=O)Nc3cc(C#N)ccn3)nn2)c1 ZINC000448399637 405421003 /nfs/dbraw/zinc/42/10/03/405421003.db2.gz GUMXQUQCSBOXDT-UHFFFAOYSA-N 0 0 322.303 2.234 10 30 DEEERN Cc1ccccc1CN1CCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000448587993 405423783 /nfs/dbraw/zinc/42/37/83/405423783.db2.gz RQQAGHKOTRRJEX-UHFFFAOYSA-N 0 0 322.412 2.163 10 30 DEEERN C=CCOc1cccc(N2C(=O)N[C@H](Cc3ccccn3)C2=O)c1 ZINC000445990430 405365604 /nfs/dbraw/zinc/36/56/04/405365604.db2.gz GQQVYDBXQRNMGH-MRXNPFEDSA-N 0 0 323.352 2.314 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)C2(CF)CCOCC2)cc1 ZINC000448747438 405443243 /nfs/dbraw/zinc/44/32/43/405443243.db2.gz AOOSAAKYWZVEPK-UHFFFAOYSA-N 0 0 320.364 2.307 10 30 DEEERN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000457828733 405474374 /nfs/dbraw/zinc/47/43/74/405474374.db2.gz JXCKGTVXGBVDNN-XAJHFOFHSA-N 0 0 307.434 2.367 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)S(=O)(=O)Cc1ccccc1 ZINC000577764757 405510698 /nfs/dbraw/zinc/51/06/98/405510698.db2.gz NTBPFEIKBOTFFZ-CQSZACIVSA-N 0 0 309.431 2.415 10 30 DEEERN C=CCNC(=O)N1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000431393749 405615654 /nfs/dbraw/zinc/61/56/54/405615654.db2.gz SCLKVROYBLWWFV-UHFFFAOYSA-N 0 0 320.389 2.009 10 30 DEEERN C=CCCO[C@H](C)C(=O)N(C)C1CCN(CC(F)(F)F)CC1 ZINC000456931106 405625223 /nfs/dbraw/zinc/62/52/23/405625223.db2.gz IMLRPUUIQCPNHN-GFCCVEGCSA-N 0 0 322.371 2.453 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C ZINC000633411841 405629308 /nfs/dbraw/zinc/62/93/08/405629308.db2.gz YUKGRIOVIKKKQP-KGLIPLIRSA-N 0 0 314.470 2.436 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1c(C)nn(CC)c1C ZINC000633319255 405570821 /nfs/dbraw/zinc/57/08/21/405570821.db2.gz KMAVUKPAGLNRLU-HOCLYGCPSA-N 0 0 320.437 2.252 10 30 DEEERN C=C1CC(C)(C(=O)N2CCN(c3ccc(OC)cn3)CC2)C1 ZINC000633365554 405597669 /nfs/dbraw/zinc/59/76/69/405597669.db2.gz RLBNKQVVASHQRO-UHFFFAOYSA-N 0 0 301.390 2.095 10 30 DEEERN C=CCCn1cc(C(=O)N2CCC[C@H](c3cccnc3)C2)nn1 ZINC000633534956 405702550 /nfs/dbraw/zinc/70/25/50/405702550.db2.gz QOLLJMFJNVYUJH-HNNXBMFYSA-N 0 0 311.389 2.269 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N1CCO[C@H](c2nccs2)C1 ZINC000558999202 405716114 /nfs/dbraw/zinc/71/61/14/405716114.db2.gz RGCAREUVBTYKOU-LBPRGKRZSA-N 0 0 319.434 2.451 10 30 DEEERN C=CCCCCCNC(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000582429146 405729829 /nfs/dbraw/zinc/72/98/29/405729829.db2.gz KNZJENWERAEEJJ-HOTGVXAUSA-N 0 0 309.454 2.237 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000494655786 405737794 /nfs/dbraw/zinc/73/77/94/405737794.db2.gz RUJFFYDKLRDZPE-GJZGRUSLSA-N 0 0 315.421 2.196 10 30 DEEERN C=C(CC)CNC(=O)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000459099520 405745168 /nfs/dbraw/zinc/74/51/68/405745168.db2.gz RCQIHEMJRHPDPS-DOTOQJQBSA-N 0 0 306.381 2.462 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000529026664 405746761 /nfs/dbraw/zinc/74/67/61/405746761.db2.gz WPJQENMQIRGMGC-HZPDHXFCSA-N 0 0 322.836 2.358 10 30 DEEERN C=C(C)COCCNC(=O)c1coc(-c2ccnc(C)c2)n1 ZINC000450138188 405752678 /nfs/dbraw/zinc/75/26/78/405752678.db2.gz YKIKWFSDYFAWSV-UHFFFAOYSA-N 0 0 301.346 2.368 10 30 DEEERN C=CCn1cc(CNC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)nn1 ZINC000529501414 405759911 /nfs/dbraw/zinc/75/99/11/405759911.db2.gz GVGNLVMGCQHDBV-HZPDHXFCSA-N 0 0 314.364 2.413 10 30 DEEERN C=CCC[C@H](O)CN[C@@H](C)c1ncc(Br)cn1 ZINC000433007163 405848065 /nfs/dbraw/zinc/84/80/65/405848065.db2.gz JXFGJYDUDOZEEY-ONGXEEELSA-N 0 0 300.200 2.217 10 30 DEEERN CCC1(CC)[C@H](NC(=O)c2ccc(C#N)n2C)[C@@H](C)[C@H]1OC ZINC000450373916 405864154 /nfs/dbraw/zinc/86/41/54/405864154.db2.gz DJNXBEMMPFZROM-KCPJHIHWSA-N 0 0 303.406 2.466 10 30 DEEERN C=CCC1(C(=O)Nc2cccc3c2NC(=O)CO3)CCOCC1 ZINC000636368375 405919673 /nfs/dbraw/zinc/91/96/73/405919673.db2.gz XBHLYECJFFBHHL-UHFFFAOYSA-N 0 0 316.357 2.329 10 30 DEEERN C=CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882092 406019215 /nfs/dbraw/zinc/01/92/15/406019215.db2.gz LOONUIFKLXDIQD-UHFFFAOYSA-N 0 0 313.313 2.485 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCCOC1CCCC1 ZINC000636591824 406020522 /nfs/dbraw/zinc/02/05/22/406020522.db2.gz RVEPKZLYCBSNHR-UHFFFAOYSA-N 0 0 310.438 2.170 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCc1cccc(C)c1 ZINC000636602676 406023032 /nfs/dbraw/zinc/02/30/32/406023032.db2.gz VRIOOEVDXTWILM-UHFFFAOYSA-N 0 0 302.418 2.372 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CCO[C@H](C(F)F)CC1 ZINC000634160911 406030412 /nfs/dbraw/zinc/03/04/12/406030412.db2.gz MIYOUPJDLZCRQW-LBPRGKRZSA-N 0 0 312.316 2.143 10 30 DEEERN C=CCCCNC(=O)NCc1cccc(NC(=O)COC)c1 ZINC000565696846 406081410 /nfs/dbraw/zinc/08/14/10/406081410.db2.gz WOVPJMUBTYLXQG-UHFFFAOYSA-N 0 0 305.378 2.037 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCc1ncc(CC)s1 ZINC000636796918 406084328 /nfs/dbraw/zinc/08/43/28/406084328.db2.gz ZOOKSEZFOUQHQN-UHFFFAOYSA-N 0 0 323.462 2.083 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000636813059 406088510 /nfs/dbraw/zinc/08/85/10/406088510.db2.gz GBKGSWBJDFUFCQ-CABCVRRESA-N 0 0 324.465 2.415 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCCC12CCOCC2 ZINC000567380284 406095796 /nfs/dbraw/zinc/09/57/96/406095796.db2.gz PMHMQRWBKKCULX-SOUVJXGZSA-N 0 0 308.422 2.226 10 30 DEEERN N#Cc1cccc(CC(=O)N2CCN(c3cccc(O)c3)CC2)c1 ZINC000532737288 406097032 /nfs/dbraw/zinc/09/70/32/406097032.db2.gz QAOUXHCHSLWFKM-UHFFFAOYSA-N 0 0 321.380 2.155 10 30 DEEERN C=CCCCNC(=O)C(=O)N1CC[C@H](c2ccc(C)cc2)C1 ZINC000567541465 406097769 /nfs/dbraw/zinc/09/77/69/406097769.db2.gz ATDWRSITAKXKDB-INIZCTEOSA-N 0 0 300.402 2.393 10 30 DEEERN C=CCNC(=O)c1ccc(N2CCO[C@H](C3CCC3)C2)nc1 ZINC000564713331 406064920 /nfs/dbraw/zinc/06/49/20/406064920.db2.gz PFUCFAIKQPIRHP-HNNXBMFYSA-N 0 0 301.390 2.003 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N(Cc1ccccn1)C1CC1 ZINC000565222251 406071214 /nfs/dbraw/zinc/07/12/14/406071214.db2.gz OIHNFTVQJGQGAA-UHFFFAOYSA-N 0 0 315.417 2.435 10 30 DEEERN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1COC1 ZINC000634256800 406071481 /nfs/dbraw/zinc/07/14/81/406071481.db2.gz VPLOYECWJVUHBW-UHFFFAOYSA-N 0 0 301.264 2.399 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000636763757 406074480 /nfs/dbraw/zinc/07/44/80/406074480.db2.gz XHXDHSQQCDOJDJ-GDBMZVCRSA-N 0 0 313.401 2.400 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000636875719 406109654 /nfs/dbraw/zinc/10/96/54/406109654.db2.gz GDECLNUIASIUPD-CQSZACIVSA-N 0 0 324.465 2.416 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccnn1CC1CCC1 ZINC000634466783 406141982 /nfs/dbraw/zinc/14/19/82/406141982.db2.gz GJPSIUHZQNXYCG-AWEZNQCLSA-N 0 0 304.394 2.093 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCC(CCO)(CCO)CC1 ZINC000637022802 406153552 /nfs/dbraw/zinc/15/35/52/406153552.db2.gz JIZXKEAWUSMJBV-HNNXBMFYSA-N 0 0 312.454 2.288 10 30 DEEERN C=C1CC(C)(C(=O)NCCc2nnc(-c3ccccc3)n2C)C1 ZINC000632481229 406155568 /nfs/dbraw/zinc/15/55/68/406155568.db2.gz KHCYWYHAKSKYHI-UHFFFAOYSA-N 0 0 310.401 2.497 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@@H](OC)C[C@@]1(C)CO ZINC000637264990 406234545 /nfs/dbraw/zinc/23/45/45/406234545.db2.gz OWWGQJAFINHOQF-AESZEHBQSA-N 0 0 310.438 2.303 10 30 DEEERN C=CCOCCCNC(=O)N[C@H]1COc2cccc(C)c2C1 ZINC000637274079 406237554 /nfs/dbraw/zinc/23/75/54/406237554.db2.gz AQOBSOLDZCOKKF-CQSZACIVSA-N 0 0 304.390 2.190 10 30 DEEERN C=C(C)COc1cccc(NC[C@@H](O)CC2(O)CCOCC2)c1 ZINC000634718767 406245108 /nfs/dbraw/zinc/24/51/08/406245108.db2.gz IOUAQJRUJKSNAQ-INIZCTEOSA-N 0 0 321.417 2.346 10 30 DEEERN C=CC(C)(C)CCNC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000637324686 406258655 /nfs/dbraw/zinc/25/86/55/406258655.db2.gz XWIKRQFCBHZBDH-CABCVRRESA-N 0 0 324.465 2.456 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCOC[C@H]1c1ccnn1C ZINC000637324705 406258732 /nfs/dbraw/zinc/25/87/32/406258732.db2.gz YGIVCTCDXCKGIF-AWEZNQCLSA-N 0 0 306.410 2.105 10 30 DEEERN C=CCOCCCC(=O)Nc1cn(-c2cccc(OC)c2)nn1 ZINC000637311346 406252961 /nfs/dbraw/zinc/25/29/61/406252961.db2.gz FYMFSZMZEWLFBE-UHFFFAOYSA-N 0 0 316.361 2.197 10 30 DEEERN C[C@@H]1CCc2nc(NC(=O)Cn3cccnc3=O)sc2C1 ZINC000328877677 296765161 /nfs/dbraw/zinc/76/51/61/296765161.db2.gz IRCUCOIBABJJJX-SECBINFHSA-N 0 0 304.375 2.113 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@H]1COc2cccc(C)c2C1 ZINC000637356795 406272426 /nfs/dbraw/zinc/27/24/26/406272426.db2.gz AJXNLQBISDXOIT-CQSZACIVSA-N 0 0 304.390 2.143 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000569924401 406321716 /nfs/dbraw/zinc/32/17/16/406321716.db2.gz QKKPPPGXCZHYBM-HIFRSBDPSA-N 0 0 317.345 2.006 10 30 DEEERN C=C(C)CN(CC)C(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC000637495312 406329334 /nfs/dbraw/zinc/32/93/34/406329334.db2.gz MCYODLDLKXVOHU-UHFFFAOYSA-N 0 0 303.362 2.239 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2ccccc2CC1 ZINC000570205965 406360883 /nfs/dbraw/zinc/36/08/83/406360883.db2.gz WFVQJXVQNKUVME-IRXDYDNUSA-N 0 0 300.402 2.388 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)NC2CC(C)(C)C2)c1 ZINC000570583636 406413114 /nfs/dbraw/zinc/41/31/14/406413114.db2.gz IKAPMLAPYJOYAL-UHFFFAOYSA-N 0 0 302.374 2.495 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC[C@@H]2C2CC2)C1=O ZINC000570334100 406378350 /nfs/dbraw/zinc/37/83/50/406378350.db2.gz OQNHTZJZNYOJKG-OAGGEKHMSA-N 0 0 304.434 2.448 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1ncc(OC)s1 ZINC000635261967 406478766 /nfs/dbraw/zinc/47/87/66/406478766.db2.gz ONXSDFSGRYPVLF-UHFFFAOYSA-N 0 0 311.407 2.199 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccn2ccnc2c1 ZINC000635261469 406479316 /nfs/dbraw/zinc/47/93/16/406479316.db2.gz BIIKSXASXCEFBH-UHFFFAOYSA-N 0 0 314.389 2.381 10 30 DEEERN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2ccncc2C#N)C1 ZINC000547825117 406451770 /nfs/dbraw/zinc/45/17/70/406451770.db2.gz AGYCUDRDSMBEPC-ZIAGYGMSSA-N 0 0 300.406 2.474 10 30 DEEERN C=CCOc1cccc(NC(=O)C[C@@H]2CCCS2(=O)=O)c1 ZINC000635416096 406528369 /nfs/dbraw/zinc/52/83/69/406528369.db2.gz HLCLJGLORXCWSU-AWEZNQCLSA-N 0 0 309.387 2.157 10 30 DEEERN C=CCOc1cccc(NC(=O)C[C@H]2CCCS2(=O)=O)c1 ZINC000635416097 406528419 /nfs/dbraw/zinc/52/84/19/406528419.db2.gz HLCLJGLORXCWSU-CQSZACIVSA-N 0 0 309.387 2.157 10 30 DEEERN CC1CC(C#N)(C(=O)NCC[C@@H]2COc3ccccc3O2)C1 ZINC000572092005 406604705 /nfs/dbraw/zinc/60/47/05/406604705.db2.gz NJHHUXAAPTYUAV-UIORMTCPSA-N 0 0 300.358 2.273 10 30 DEEERN Cc1c(NC(=O)C(=O)N(CCC#N)C(C)C)cccc1N(C)C ZINC000527354070 406622457 /nfs/dbraw/zinc/62/24/57/406622457.db2.gz DCHMMLIVYUQFGK-UHFFFAOYSA-N 0 0 316.405 2.150 10 30 DEEERN CN(C(=O)Cc1cccc(C#N)c1)[C@H](CC(N)=O)c1ccccc1 ZINC000527025896 406572794 /nfs/dbraw/zinc/57/27/94/406572794.db2.gz MKWJDIMGBBEJAH-QGZVFWFLSA-N 0 0 321.380 2.176 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000574606681 406784075 /nfs/dbraw/zinc/78/40/75/406784075.db2.gz VBZQGMROTVCCMA-BARDWOONSA-N 0 0 315.369 2.021 10 30 DEEERN C=CCn1c(C(C)C)nnc1N1CCO[C@]2(CCSC2)C1 ZINC000574082144 406779942 /nfs/dbraw/zinc/77/99/42/406779942.db2.gz KOUSCIHHKYNSTM-OAHLLOKOSA-N 0 0 308.451 2.300 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc2ccoc21 ZINC000574567683 406784041 /nfs/dbraw/zinc/78/40/41/406784041.db2.gz PYDMOZXBGJCUCF-STQMWFEESA-N 0 0 307.371 2.302 10 30 DEEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ncccc1F ZINC000554605352 406816852 /nfs/dbraw/zinc/81/68/52/406816852.db2.gz BONGVKJMAFKWCH-INIZCTEOSA-N 0 0 321.352 2.099 10 30 DEEERN CCOc1ccc(C#N)c([N+](=O)[O-])c1I ZINC000575671460 406817199 /nfs/dbraw/zinc/81/71/99/406817199.db2.gz SDJWGFIBGVAFQV-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN CCOC(=O)Cc1ccc(Br)c(C#N)c1[N+](=O)[O-] ZINC000575383629 406807855 /nfs/dbraw/zinc/80/78/55/406807855.db2.gz UDUNTECOZSXUGA-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN COC(=O)Cc1cc(OC(F)(F)F)c(C#N)c([N+](=O)[O-])c1 ZINC000575395874 406808912 /nfs/dbraw/zinc/80/89/12/406808912.db2.gz UIUUABIMMLJOCJ-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN CCOC(=O)Cc1cc([N+](=O)[O-])c(C#N)cc1OC(F)F ZINC000575388270 406809157 /nfs/dbraw/zinc/80/91/57/406809157.db2.gz QPMSXVQANAHJLK-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN N#CCc1ccc(F)c([N+](=O)[O-])c1I ZINC000575707219 406821380 /nfs/dbraw/zinc/82/13/80/406821380.db2.gz PYKYPPCPEFXAIX-UHFFFAOYSA-N 0 0 306.034 2.405 10 30 DEEERN CCN(C[C@@H](C)C#N)S(=O)(=O)c1cccc2ncccc21 ZINC000129362908 196042512 /nfs/dbraw/zinc/04/25/12/196042512.db2.gz VVWCFVQLNIIFLY-LBPRGKRZSA-N 0 0 303.387 2.405 10 30 DEEERN O=C(NCCCC(F)(F)F)c1ccc(F)cc1C#CCO ZINC000131044289 196134327 /nfs/dbraw/zinc/13/43/27/196134327.db2.gz NMZQYYOBMMTTCX-UHFFFAOYSA-N 0 0 303.255 2.242 10 30 DEEERN CN(c1ccc(C#N)cc1)c1nc(N)ncc1Br ZINC000133055991 196308281 /nfs/dbraw/zinc/30/82/81/196308281.db2.gz QLULKFYROKKCQR-UHFFFAOYSA-N 0 0 304.151 2.461 10 30 DEEERN C#CCCCOc1ccc(S(N)(=O)=O)c2ccc(Cl)nc12 ZINC000133862536 196341620 /nfs/dbraw/zinc/34/16/20/196341620.db2.gz KHKWGXNQBUFUMD-UHFFFAOYSA-N 0 0 324.789 2.328 10 30 DEEERN C[C@@H]1CC[C@H](C)N(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1 ZINC000136484328 196538856 /nfs/dbraw/zinc/53/88/56/196538856.db2.gz SONWVWXMXZSGNU-MNOVXSKESA-N 0 0 303.337 2.283 10 30 DEEERN CCc1noc(C)c1NC(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000192950913 225147715 /nfs/dbraw/zinc/14/77/15/225147715.db2.gz HVQXWZHKCHQAIT-UHFFFAOYSA-N 0 0 312.329 2.303 10 30 DEEERN Cc1ccc(-n2cccn2)cc1NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000190885781 225097286 /nfs/dbraw/zinc/09/72/86/225097286.db2.gz RRKPFUNZXSWNPF-GOSISDBHSA-N 0 0 323.400 2.401 10 30 DEEERN C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@@H](CO)O1 ZINC000191132849 225103334 /nfs/dbraw/zinc/10/33/34/225103334.db2.gz DMUHETLHLOMONT-DOMZBBRYSA-N 0 0 317.389 2.101 10 30 DEEERN C[C@H](C(=O)NCc1nnc(C(C)(C)C)s1)N1CCOCC1 ZINC000329862822 225938518 /nfs/dbraw/zinc/93/85/18/225938518.db2.gz RKOIRJGKBDTAKK-SNVBAGLBSA-N 0 0 312.439 2.013 10 30 DEEERN O=C(NCCC1CCOCC1)N1CCOC[C@@H](C2CCC2)C1 ZINC000330180478 225976188 /nfs/dbraw/zinc/97/61/88/225976188.db2.gz GAWHZEQCLYYSND-INIZCTEOSA-N 0 0 310.438 2.466 10 30 DEEERN O=C(NCCC1CCOCC1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000330314935 225994338 /nfs/dbraw/zinc/99/43/38/225994338.db2.gz PJLSVPSFFZEITR-KGLIPLIRSA-N 0 0 309.410 2.300 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000333261597 226103955 /nfs/dbraw/zinc/10/39/55/226103955.db2.gz CODKLYUSTJDVTQ-PLENUKSMSA-N 0 0 301.434 2.353 10 30 DEEERN C[C@@H](NC(=O)N1CCN(C)[C@@H](C#N)C1)c1cccc(C2CC2)c1 ZINC000333541974 226107642 /nfs/dbraw/zinc/10/76/42/226107642.db2.gz SFDCVKKYVKFRDO-DYVFJYSZSA-N 0 0 312.417 2.474 10 30 DEEERN N#CC1CCC(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000370195021 227046723 /nfs/dbraw/zinc/04/67/23/227046723.db2.gz RRXAFUOHIQRRLH-NRXISQOPSA-N 0 0 317.433 2.224 10 30 DEEERN N#C[C@@H]1CN(Cc2cnc([C@@H]3CCCO3)s2)CCN1C1CC1 ZINC000371328158 227068460 /nfs/dbraw/zinc/06/84/60/227068460.db2.gz SLIDQSJWFGIJIL-HIFRSBDPSA-N 0 0 318.446 2.167 10 30 DEEERN N#CCC1(CNC(=O)NCc2ccccc2-n2cccn2)CC1 ZINC000373736187 227117550 /nfs/dbraw/zinc/11/75/50/227117550.db2.gz MLXXQHJPSUMMMA-UHFFFAOYSA-N 0 0 309.373 2.365 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC=C(C)C1 ZINC000291017223 222073994 /nfs/dbraw/zinc/07/39/94/222073994.db2.gz MMMJTPYLPOZDLQ-CQSZACIVSA-N 0 0 304.394 2.099 10 30 DEEERN C[C@@H]1C[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)CC(C)(C)C1 ZINC000408066396 227227446 /nfs/dbraw/zinc/22/74/46/227227446.db2.gz XYYDFKSJNWXSTO-ZIAGYGMSSA-N 0 0 305.422 2.033 10 30 DEEERN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000408336512 227231791 /nfs/dbraw/zinc/23/17/91/227231791.db2.gz AYZQLWKRDSAEOM-QWRGUYRKSA-N 0 0 302.378 2.210 10 30 DEEERN C=CC(C)(C)C(=O)Nc1nn(C)cc1I ZINC000602391357 422433847 /nfs/dbraw/zinc/43/38/47/422433847.db2.gz TULVVRBUPZZBJC-UHFFFAOYSA-N 0 0 319.146 2.175 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CSCC(=O)Nc2cc(C)on2)C1 ZINC000600215081 422408324 /nfs/dbraw/zinc/40/83/24/422408324.db2.gz YIFVKJCNKXKFGR-LBPRGKRZSA-N 0 0 323.418 2.079 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cc(CC)on1 ZINC000606990155 422460722 /nfs/dbraw/zinc/46/07/22/422460722.db2.gz NAWSLDREIIHPAZ-UHFFFAOYSA-N 0 0 319.386 2.452 10 30 DEEERN Cc1cc(NC(=O)NC[C@H](C)c2ccncc2)nn1CCC#N ZINC000611481862 422477659 /nfs/dbraw/zinc/47/76/59/422477659.db2.gz HBVMIOXVTXOZFY-LBPRGKRZSA-N 0 0 312.377 2.425 10 30 DEEERN C=CCN1CC[C@H](Nc2ccn(C3CCSCC3)n2)C1=O ZINC000634569394 422487663 /nfs/dbraw/zinc/48/76/63/422487663.db2.gz YVFBEWDJYUAIKG-ZDUSSCGKSA-N 0 0 306.435 2.150 10 30 DEEERN C=CCNc1ncc(C(=O)NCC2(C(F)(F)F)CC2)s1 ZINC000359729166 424832640 /nfs/dbraw/zinc/83/26/40/424832640.db2.gz MMFOJUBDCRUSLG-UHFFFAOYSA-N 0 0 305.325 2.813 10 30 DEEERN CN(Cc1nccn1C(F)F)C(=O)Cc1cccc(C#N)c1 ZINC000531387940 267324694 /nfs/dbraw/zinc/32/46/94/267324694.db2.gz KRQFSVPPNATBQI-UHFFFAOYSA-N 0 0 304.300 2.351 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2cccc(F)c2C#N)cc1 ZINC000188264336 268176209 /nfs/dbraw/zinc/17/62/09/268176209.db2.gz AHKYSUVBEGYTGX-UHFFFAOYSA-N 0 0 309.300 2.378 10 30 DEEERN N#Cc1cccc(CC(=O)N[C@H](CC(N)=O)C2CCCCC2)c1 ZINC000531454588 268276624 /nfs/dbraw/zinc/27/66/24/268276624.db2.gz ILSPSEMYJJNFJR-MRXNPFEDSA-N 0 0 313.401 2.041 10 30 DEEERN N#Cc1cccc(CC(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1 ZINC000531151847 268277772 /nfs/dbraw/zinc/27/77/72/268277772.db2.gz AAUFSCBJQMGGOJ-KRWDZBQOSA-N 0 0 319.364 2.022 10 30 DEEERN C[C@@H]1C[C@@H](S(=O)(=O)NC2(c3cccc(C#N)c3)CC2)CCO1 ZINC000333388682 268937203 /nfs/dbraw/zinc/93/72/03/268937203.db2.gz GPEPEXSTUMJUSU-DOMZBBRYSA-N 0 0 320.414 2.034 10 30 DEEERN Cc1ncc(S(=O)(=O)NC2CCC(F)(F)CC2)cc1C#N ZINC000390481587 269097189 /nfs/dbraw/zinc/09/71/89/269097189.db2.gz JRIRRHOAGUWAFA-UHFFFAOYSA-N 0 0 315.345 2.118 10 30 DEEERN CC(C)C[C@@H]1C[C@H](NC(=O)N2CCc3cncnc3C2)CCO1 ZINC000329483577 275907515 /nfs/dbraw/zinc/90/75/15/275907515.db2.gz QFHMJNLLDZZIMH-HUUCEWRRSA-N 0 0 318.421 2.342 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CN1C(=O)[C@@H]2[C@H]3CCC[C@@H]3CN2C1=O ZINC000348763866 276869481 /nfs/dbraw/zinc/86/94/81/276869481.db2.gz WSXMNOXKPABFNX-MRLBHPIUSA-N 0 0 304.390 2.030 10 30 DEEERN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000334077549 277355140 /nfs/dbraw/zinc/35/51/40/277355140.db2.gz KDMJMQSEIDQCHG-NLWNOMGPSA-N 0 0 303.406 2.134 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(CC)CC(C)C ZINC000293138623 277787183 /nfs/dbraw/zinc/78/71/83/277787183.db2.gz WFSLVEXZMJQTCV-AWEZNQCLSA-N 0 0 308.426 2.424 10 30 DEEERN C=CCN1CC[C@@H](NC2(c3noc(C(C)C)n3)CCCC2)C1=O ZINC000281174598 277859403 /nfs/dbraw/zinc/85/94/03/277859403.db2.gz LLQGIRSVIIPABW-CYBMUJFWSA-N 0 0 318.421 2.339 10 30 DEEERN CC(=O)N(C)c1cccc(N[C@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000345111080 277968596 /nfs/dbraw/zinc/96/85/96/277968596.db2.gz KXHYCJKDXTVZMP-GFCCVEGCSA-N 0 0 314.389 2.032 10 30 DEEERN C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CC[S@](=O)C1 ZINC000407955112 278801923 /nfs/dbraw/zinc/80/19/23/278801923.db2.gz PWXAEORVSILFOA-BTKVJGODSA-N 0 0 317.336 2.177 10 30 DEEERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)[C@H]1CCCCO1 ZINC000329491433 289233487 /nfs/dbraw/zinc/23/34/87/289233487.db2.gz STUGSBTYSDPAFR-KLZNWCGWSA-N 0 0 310.438 2.485 10 30 DEEERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)C1 ZINC000329095873 294584736 /nfs/dbraw/zinc/58/47/36/294584736.db2.gz XZGSTIBAPLWOKL-HPCHECBXSA-N 0 0 309.410 2.494 10 30 DEEERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC000330033820 297297559 /nfs/dbraw/zinc/29/75/59/297297559.db2.gz ANDPUSXRAQEFAQ-IKVITTDRSA-N 0 0 318.421 2.473 10 30 DEEERN C=CCn1c(CC(F)(F)F)nnc1N1CCO[C@H](C2CC2)C1 ZINC000584113015 331831989 /nfs/dbraw/zinc/83/19/89/331831989.db2.gz WMHNWHBHYPCWSV-NSHDSACASA-N 0 0 316.327 2.184 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc2c1CC(=O)CC2 ZINC000558571173 331924945 /nfs/dbraw/zinc/92/49/45/331924945.db2.gz IVJMFJMOSMDIMU-KDOFPFPSSA-N 0 0 313.397 2.455 10 30 DEEERN C=CCn1c(CC)nnc1N1CCN(CC(F)F)[C@H](CC)C1 ZINC000558673884 331933846 /nfs/dbraw/zinc/93/38/46/331933846.db2.gz XFKXOQKEMNQILS-GFCCVEGCSA-N 0 0 313.396 2.192 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1C[C@@H](C)C[C@@H]1C ZINC000562787739 332626283 /nfs/dbraw/zinc/62/62/83/332626283.db2.gz LKNDGTPWPCNXIY-RYUDHWBXSA-N 0 0 315.425 2.193 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCC[C@@H]2C2CC2)C1=O ZINC000570334102 332740449 /nfs/dbraw/zinc/74/04/49/332740449.db2.gz OQNHTZJZNYOJKG-PMPSAXMXSA-N 0 0 304.434 2.448 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(C2CC2)nc2onc(C)c21 ZINC000185827752 335154100 /nfs/dbraw/zinc/15/41/00/335154100.db2.gz NMZKGEOWVRCFCO-LLVKDONJSA-N 0 0 301.346 2.075 10 30 DEEERN CC#CCNC(=O)c1cc(C)ccc1I ZINC000120981436 334341207 /nfs/dbraw/zinc/34/12/07/334341207.db2.gz XOTNYYMFSKKGOZ-UHFFFAOYSA-N 0 0 313.138 2.353 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cc[nH]n1 ZINC000519514606 335870800 /nfs/dbraw/zinc/87/08/00/335870800.db2.gz ZXWWMLYQGBCSLR-UHFFFAOYSA-N 0 0 315.333 2.216 10 30 DEEERN C=CCN(CCc1ccco1)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000352089543 336194112 /nfs/dbraw/zinc/19/41/12/336194112.db2.gz NJOOBMSZNQWTKD-AWEZNQCLSA-N 0 0 312.435 2.287 10 30 DEEERN CO[C@](C)(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1CC1 ZINC000360744232 336721176 /nfs/dbraw/zinc/72/11/76/336721176.db2.gz IUWKOOVFTONVAN-IAGOWNOFSA-N 0 0 324.421 2.179 10 30 DEEERN Cc1csc(NC2CCN(C(=O)NC[C@H](C)C#N)CC2)n1 ZINC000582335305 336927730 /nfs/dbraw/zinc/92/77/30/336927730.db2.gz FHZQGPLGMZLGEL-SNVBAGLBSA-N 0 0 307.423 2.197 10 30 DEEERN COc1ccc(C[C@H](C)NC(=O)NCC2(C#N)CC2)cc1OC ZINC000584387517 337241910 /nfs/dbraw/zinc/24/19/10/337241910.db2.gz GOFSGSYHDVGKTL-LBPRGKRZSA-N 0 0 317.389 2.238 10 30 DEEERN CCS(=O)(=O)Nc1ccc2c(c1)CCC(=O)[C@H]2[C@@H](C)C#N ZINC000584602189 337371056 /nfs/dbraw/zinc/37/10/56/337371056.db2.gz ZUUVAZBUGCYNGV-BONVTDFDSA-N 0 0 306.387 2.207 10 30 DEEERN CC(=O)N(c1ccccc1I)[C@@H](C)C=O ZINC000584607779 337371836 /nfs/dbraw/zinc/37/18/36/337371836.db2.gz CVKXJEZXNKLJOH-QMMMGPOBSA-N 0 0 317.126 2.232 10 30 DEEERN C=CCNC(=O)C[S@](=O)Cc1nc(-c2ccsc2)oc1C ZINC000505762082 340176984 /nfs/dbraw/zinc/17/69/84/340176984.db2.gz LCBVFIZJEATIOR-OAQYLSRUSA-N 0 0 324.427 2.262 10 30 DEEERN N#C[C@H](NC(=O)CCNC(=O)c1ccc2ccccc2c1)C1CC1 ZINC000174211717 340384074 /nfs/dbraw/zinc/38/40/74/340384074.db2.gz KHQAJORCYYUXHR-KRWDZBQOSA-N 0 0 321.380 2.378 10 30 DEEERN C=C(C)COc1cccc(NC(=O)NC[C@@H](O)[C@@H]2CCCO2)c1 ZINC000528966667 340741110 /nfs/dbraw/zinc/74/11/10/340741110.db2.gz MHSUXCITBJIIGP-CVEARBPZSA-N 0 0 320.389 2.303 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@@]1(C)Br ZINC000529246695 340750098 /nfs/dbraw/zinc/75/00/98/340750098.db2.gz MRVJSAVQWRMHEX-MPPDQPJWSA-N 0 0 302.212 2.257 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(C)n([C@@H]2CCOC2)c1C ZINC000529452052 340756159 /nfs/dbraw/zinc/75/61/59/340756159.db2.gz KISAUTRRBJSPAF-BMFZPTHFSA-N 0 0 304.390 2.140 10 30 DEEERN C=C[C@H](O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000529823392 340770266 /nfs/dbraw/zinc/77/02/66/340770266.db2.gz XLTWMYIGEKGWDE-LBPRGKRZSA-N 0 0 308.175 2.374 10 30 DEEERN C[C@@H]1C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000543735097 341055785 /nfs/dbraw/zinc/05/57/85/341055785.db2.gz FGQKDHCJAUXNJB-IPJQOSJUSA-N 0 0 324.421 2.320 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)N[C@@H](c2ccc(F)c(C)c2)C1=O ZINC000567688611 341627606 /nfs/dbraw/zinc/62/76/06/341627606.db2.gz UTHBEVKGVFAWOG-QEJZJMRPSA-N 0 0 318.348 2.318 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000573201929 341720873 /nfs/dbraw/zinc/72/08/73/341720873.db2.gz HXTCXQAHVXGHKU-UONOGXRCSA-N 0 0 303.410 2.417 10 30 DEEERN COc1ccc(NCC#Cc2ccccc2)cc1-n1nnnc1C ZINC000190366862 534184493 /nfs/dbraw/zinc/18/44/93/534184493.db2.gz ITDWEFZQBQCFMW-UHFFFAOYSA-N 0 0 319.368 2.443 10 30 DEEERN C[C@H](CNC(=O)COc1ccsc1Cl)N1CCOCC1 ZINC000328929289 534299223 /nfs/dbraw/zinc/29/92/23/534299223.db2.gz YLVSLUFPVOREET-SNVBAGLBSA-N 0 0 318.826 2.458 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1cnc(CCC)o1 ZINC000454911507 534365245 /nfs/dbraw/zinc/36/52/45/534365245.db2.gz YLANKLZCPJLALP-SWLSCSKDSA-N 0 0 307.394 2.408 10 30 DEEERN Cc1ccnc2ccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc12 ZINC000375804876 534407495 /nfs/dbraw/zinc/40/74/95/534407495.db2.gz JXUDIMCZPIOWOF-MRXNPFEDSA-N 0 0 320.396 2.356 10 30 DEEERN C=CCC(C)(C)CNC(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000458807822 534546042 /nfs/dbraw/zinc/54/60/42/534546042.db2.gz GQRBPNPFWZCXFZ-KGLIPLIRSA-N 0 0 307.438 2.289 10 30 DEEERN N#CC1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2)CC1 ZINC000195404323 534586729 /nfs/dbraw/zinc/58/67/29/534586729.db2.gz CGJSHPDCRSBOLB-INIZCTEOSA-N 0 0 311.385 2.053 10 30 DEEERN N#CCCCCNC(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000358431912 534598785 /nfs/dbraw/zinc/59/87/85/534598785.db2.gz RUPLGORYOKWTMC-INIZCTEOSA-N 0 0 317.389 2.170 10 30 DEEERN C=CCCCCCN(C)c1nnc(-c2nnn(C)c2C)n1C ZINC000453418407 534676501 /nfs/dbraw/zinc/67/65/01/534676501.db2.gz XHJJIOMYESDNPP-UHFFFAOYSA-N 0 0 303.414 2.102 10 30 DEEERN N#C[C@H]1CCC[C@H]1NCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000333261588 534750742 /nfs/dbraw/zinc/75/07/42/534750742.db2.gz CODKLYUSTJDVTQ-HYXCCBOESA-N 0 0 301.434 2.353 10 30 DEEERN N#Cc1c2c(cn(Cc3noc(-c4ccccc4)n3)c1=O)CCC2 ZINC000447419524 534766624 /nfs/dbraw/zinc/76/66/24/534766624.db2.gz UNUYBSREIMXFTI-UHFFFAOYSA-N 0 0 318.336 2.307 10 30 DEEERN Cc1nn(C)c2nc(C)cc(C(=O)Nc3cc(C#N)ccn3)c12 ZINC000436007427 534828508 /nfs/dbraw/zinc/82/85/08/534828508.db2.gz YCPVDKYXDYLGGH-UHFFFAOYSA-N 0 0 306.329 2.104 10 30 DEEERN CC(C)OCc1nc([C@H](C)NC(=O)c2sccc2C#N)no1 ZINC000359611685 534897015 /nfs/dbraw/zinc/89/70/15/534897015.db2.gz BOSUOAJKEAKHQR-VIFPVBQESA-N 0 0 320.374 2.419 10 30 DEEERN COc1cccc(N2CC[C@@H](CNc3ccncc3C#N)C2)c1 ZINC000363835071 526159657 /nfs/dbraw/zinc/15/96/57/526159657.db2.gz ZSFLVWQFKSNRGX-AWEZNQCLSA-N 0 0 308.385 2.322 10 30 DEEERN CC#CCCCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000192210070 526302469 /nfs/dbraw/zinc/30/24/69/526302469.db2.gz ZGMASWLJPBWKCE-INIZCTEOSA-N 0 0 316.376 2.236 10 30 DEEERN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N[C@H](C#N)C2CC2)cc1 ZINC000108839079 526429974 /nfs/dbraw/zinc/42/99/74/526429974.db2.gz IMUHAJNGFRNGNL-SUMWQHHRSA-N 0 0 314.385 2.394 10 30 DEEERN C=C(C)CN(C)C(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000183051673 526497404 /nfs/dbraw/zinc/49/74/04/526497404.db2.gz KYOMORONDOSNJC-GFCCVEGCSA-N 0 0 308.328 2.352 10 30 DEEERN C=C(C)CN(CC)C(=O)CSCc1nsc(N(C)C)n1 ZINC000180743112 526529341 /nfs/dbraw/zinc/52/93/41/526529341.db2.gz BMTLEKZOMVRECW-UHFFFAOYSA-N 0 0 314.480 2.262 10 30 DEEERN C#CCC(CC#C)C(=O)N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000376990219 526672223 /nfs/dbraw/zinc/67/22/23/526672223.db2.gz BUQWDQZCMNKASN-MRXNPFEDSA-N 0 0 314.385 2.072 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1nc(-c2cccc(F)c2)no1 ZINC000377212792 526673663 /nfs/dbraw/zinc/67/36/63/526673663.db2.gz MLNIEOUKKVZLSY-UHFFFAOYSA-N 0 0 311.316 2.155 10 30 DEEERN C#CCCCC(=O)NC1CCN(C(=O)c2ccoc2C)CC1 ZINC000370452159 526681175 /nfs/dbraw/zinc/68/11/75/526681175.db2.gz GNKQHPFHMZZMBU-UHFFFAOYSA-N 0 0 302.374 2.112 10 30 DEEERN C#CCCCC(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000192151143 526682188 /nfs/dbraw/zinc/68/21/88/526682188.db2.gz VGRLZYCMRMVUJO-OAHLLOKOSA-N 0 0 320.458 2.350 10 30 DEEERN C#CCCCNC(=O)[C@H]1CCCN1c1ncnc2ccccc21 ZINC000371020001 526715481 /nfs/dbraw/zinc/71/54/81/526715481.db2.gz VTALACYNPCKDNV-MRXNPFEDSA-N 0 0 308.385 2.128 10 30 DEEERN C#CCCCS(=O)(=O)N1CCCN(c2ccc(C)cc2)CC1 ZINC000376247091 526716386 /nfs/dbraw/zinc/71/63/86/526716386.db2.gz JZVJMIWPRLXCAN-UHFFFAOYSA-N 0 0 320.458 2.250 10 30 DEEERN C#CCCCS(=O)(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000376292439 526719433 /nfs/dbraw/zinc/71/94/33/526719433.db2.gz ZKYNXYSCEXIERP-HOCLYGCPSA-N 0 0 307.415 2.192 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCO[C@@H](COC)C1 ZINC000338808686 526728306 /nfs/dbraw/zinc/72/83/06/526728306.db2.gz IFJPOBMCDXHBMR-OAHLLOKOSA-N 0 0 322.453 2.294 10 30 DEEERN C#CCCNC(=O)N1CCC(CN2CCc3ccccc32)CC1 ZINC000364206338 526733085 /nfs/dbraw/zinc/73/30/85/526733085.db2.gz AWKXVTHPGXLAMA-UHFFFAOYSA-N 0 0 311.429 2.494 10 30 DEEERN C#CCCOc1ccc(C(=O)N2CCN(CC(F)F)CC2)cc1 ZINC000294360587 526739329 /nfs/dbraw/zinc/73/93/29/526739329.db2.gz AIIWEQCJXHQBIW-UHFFFAOYSA-N 0 0 322.355 2.112 10 30 DEEERN N#Cc1ccccc1N1CCC[C@@H](Nc2ccc(C(N)=O)cn2)C1 ZINC000364876347 526740602 /nfs/dbraw/zinc/74/06/02/526740602.db2.gz HYWYYOUFDPAHCS-OAHLLOKOSA-N 0 0 321.384 2.133 10 30 DEEERN C#CCCOc1ccc(C(=O)N[C@H](CC)[C@@H](O)C(F)F)cc1 ZINC000295581049 526742072 /nfs/dbraw/zinc/74/20/72/526742072.db2.gz WNHLRCZXABLTRY-ZIAGYGMSSA-N 0 0 311.328 2.223 10 30 DEEERN C=CCOCCNC(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000371641346 526779400 /nfs/dbraw/zinc/77/94/00/526779400.db2.gz FMCMRAAVRLSTOL-JKSUJKDBSA-N 0 0 304.390 2.266 10 30 DEEERN C=CCOCCNC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000371634629 526779664 /nfs/dbraw/zinc/77/96/64/526779664.db2.gz PATCVXHGVXQSOL-OAHLLOKOSA-N 0 0 321.396 2.296 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCC(c2nnc(CC)[nH]2)CC1)OCC ZINC000365135737 526806665 /nfs/dbraw/zinc/80/66/65/526806665.db2.gz LGSWGYJYVVWCQQ-AWEZNQCLSA-N 0 0 320.437 2.444 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCO[C@@H]2CC[C@@H](OC)C[C@H]21)OCC ZINC000339485998 526809340 /nfs/dbraw/zinc/80/93/40/526809340.db2.gz BNSXZSNJLLJJDJ-FPCVCCKLSA-N 0 0 311.422 2.153 10 30 DEEERN C=CCO[C@H]1CCN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1 ZINC000302156033 526820889 /nfs/dbraw/zinc/82/08/89/526820889.db2.gz MXNBJNYJTXRNDR-NSHDSACASA-N 0 0 317.393 2.068 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@H](CC)[C@H](O)C(F)F)cc1 ZINC000295404966 526860019 /nfs/dbraw/zinc/86/00/19/526860019.db2.gz HICMOFKSKXCUIS-HIFRSBDPSA-N 0 0 313.344 2.315 10 30 DEEERN C=CCOc1ccc(CNC(=O)N2CC[C@]23CCOC3)cc1 ZINC000422196172 526878407 /nfs/dbraw/zinc/87/84/07/526878407.db2.gz DFFCPKWCLYIHHZ-QGZVFWFLSA-N 0 0 302.374 2.326 10 30 DEEERN C=CCC(C)(C)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000292490667 526994444 /nfs/dbraw/zinc/99/44/44/526994444.db2.gz RDVFVTUOEPLZOH-UHFFFAOYSA-N 0 0 321.396 2.276 10 30 DEEERN C=CCC(C)(C)CNC(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000292889153 527004461 /nfs/dbraw/zinc/00/44/61/527004461.db2.gz VEDUHPXCLBCFER-UHFFFAOYSA-N 0 0 321.343 2.005 10 30 DEEERN C=CCC(C)(C)CNC(=O)N[C@H](CO)C[C@H](O)C(C)(C)C ZINC000432559199 527009725 /nfs/dbraw/zinc/00/97/25/527009725.db2.gz CIWABISVJMUGIG-STQMWFEESA-N 0 0 300.443 2.046 10 30 DEEERN C=CCC(CC=C)C(=O)N1CCC(C2N=NC(=O)N2CC)CC1 ZINC000369765753 527023603 /nfs/dbraw/zinc/02/36/03/527023603.db2.gz HWHKDAGGFSEXAO-UHFFFAOYSA-N 0 0 318.421 2.478 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000334053002 527039910 /nfs/dbraw/zinc/03/99/10/527039910.db2.gz HIFZPHDJILKDPR-LSDHHAIUSA-N 0 0 307.438 2.385 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)CCC1 ZINC000189579006 527041942 /nfs/dbraw/zinc/04/19/42/527041942.db2.gz ARUMWRJBKZTASY-CABCVRRESA-N 0 0 317.433 2.439 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000121866156 527042301 /nfs/dbraw/zinc/04/23/01/527042301.db2.gz UQFPTXXBAHLTAA-ZIAGYGMSSA-N 0 0 308.337 2.385 10 30 DEEERN C=CCC1(C(=O)N2CCSC[C@H](C(=O)OC)C2)CCCC1 ZINC000412973734 527046558 /nfs/dbraw/zinc/04/65/58/527046558.db2.gz WMLZRXFWSYTEDC-CYBMUJFWSA-N 0 0 311.447 2.488 10 30 DEEERN C=CCC1(C(=O)N[C@H]2CCN(C(=O)c3ccncc3)C2)CCC1 ZINC000372792403 527059415 /nfs/dbraw/zinc/05/94/15/527059415.db2.gz FPARWTXVEDWPGB-HNNXBMFYSA-N 0 0 313.401 2.159 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000341774203 527070147 /nfs/dbraw/zinc/07/01/47/527070147.db2.gz QOECHJSZTIFYMP-GFCCVEGCSA-N 0 0 316.361 2.351 10 30 DEEERN C#CCO[C@H](C)C(=O)NCc1cc(F)cc(Br)c1 ZINC000294430170 527081112 /nfs/dbraw/zinc/08/11/12/527081112.db2.gz KWHFREMZHVDMPM-SECBINFHSA-N 0 0 314.154 2.243 10 30 DEEERN C#CCO[C@H](C)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000294639906 527081800 /nfs/dbraw/zinc/08/18/00/527081800.db2.gz SZPQQWQZDUZJGM-GFCCVEGCSA-N 0 0 316.332 2.178 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)COc1c(C)cccc1C ZINC000183209537 527091711 /nfs/dbraw/zinc/09/17/11/527091711.db2.gz ICUQTIGNBLWWIR-GJZGRUSLSA-N 0 0 306.406 2.307 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000337261488 527095391 /nfs/dbraw/zinc/09/53/91/527095391.db2.gz YBTIAHYZCGPSRO-LBPRGKRZSA-N 0 0 304.325 2.070 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc2c(c1)nc(C(F)F)n2C ZINC000337069814 527099898 /nfs/dbraw/zinc/09/98/98/527099898.db2.gz MKGYUJVSILIMFW-JTQLQIEISA-N 0 0 309.316 2.178 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000442848514 527101306 /nfs/dbraw/zinc/10/13/06/527101306.db2.gz ZHFNRLFBOMRZSJ-VIFPVBQESA-N 0 0 314.172 2.308 10 30 DEEERN C#CCSCCNC(=O)N1CCC(c2ccccn2)CC1 ZINC000372200667 527139724 /nfs/dbraw/zinc/13/97/24/527139724.db2.gz YKHSTDOHZKKYIM-UHFFFAOYSA-N 0 0 303.431 2.337 10 30 DEEERN CC(=O)[C@H](C)CCCCC(=O)NCC1CCN(CC#N)CC1 ZINC000432187412 527141990 /nfs/dbraw/zinc/14/19/90/527141990.db2.gz PNSNACHVNGAMMC-CQSZACIVSA-N 0 0 307.438 2.124 10 30 DEEERN C#CCSCCNC(=O)N[C@H]1CCCc2nc(C)sc21 ZINC000374766532 527145220 /nfs/dbraw/zinc/14/52/20/527145220.db2.gz XGLCBUNLERDTLC-LBPRGKRZSA-N 0 0 309.460 2.495 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCCc1nc(C)no1 ZINC000287462760 527171428 /nfs/dbraw/zinc/17/14/28/527171428.db2.gz WHRQPIJAFJLRRQ-MRXNPFEDSA-N 0 0 311.385 2.452 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000410724478 527172948 /nfs/dbraw/zinc/17/29/48/527172948.db2.gz KSKSAMWMBSRYIX-ZIAGYGMSSA-N 0 0 310.438 2.073 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000375898017 527173409 /nfs/dbraw/zinc/17/34/09/527173409.db2.gz NVGNNXZDNOSSIP-FGTMMUONSA-N 0 0 307.397 2.274 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000341687726 527175274 /nfs/dbraw/zinc/17/52/74/527175274.db2.gz IBDZYSCKKVKGKM-NEPJUHHUSA-N 0 0 310.369 2.379 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1C[C@H](C)C[C@H]1c1cccnc1 ZINC000410598406 527175296 /nfs/dbraw/zinc/17/52/96/527175296.db2.gz OKBXYTZIWAPLSC-ZBFHGGJFSA-N 0 0 315.417 2.416 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H]1CCCc2cc(N)ccc21 ZINC000420104818 527178841 /nfs/dbraw/zinc/17/88/41/527178841.db2.gz TZAIBXMWULEDRZ-INIZCTEOSA-N 0 0 315.417 2.187 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000193316718 527179962 /nfs/dbraw/zinc/17/99/62/527179962.db2.gz YTPJOKPLHBJOOY-UHFFFAOYSA-N 0 0 315.295 2.464 10 30 DEEERN C=CCCCN(C)c1nnc(C(=O)NC(C)C)n1CC(C)C ZINC000338972952 527195092 /nfs/dbraw/zinc/19/50/92/527195092.db2.gz YKKHOPIXINOJCA-UHFFFAOYSA-N 0 0 307.442 2.475 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000339734304 527206126 /nfs/dbraw/zinc/20/61/26/527206126.db2.gz CSFOQOLVNVDXJD-NSHDSACASA-N 0 0 308.353 2.094 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(C)n(Cc2ccncc2)c1C ZINC000337038067 527206288 /nfs/dbraw/zinc/20/62/88/527206288.db2.gz KKQIAXXSKHLLGL-MRXNPFEDSA-N 0 0 313.401 2.215 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccccc1NCc1cccnc1 ZINC000192689029 527208089 /nfs/dbraw/zinc/20/80/89/527208089.db2.gz NYAIYKJONDGXCP-OAHLLOKOSA-N 0 0 311.385 2.361 10 30 DEEERN C=CCCCNC(=O)N[C@H](CC(=O)N(C)C)c1ccccc1 ZINC000448171471 527221003 /nfs/dbraw/zinc/22/10/03/527221003.db2.gz WKUAPKDKOHPADT-OAHLLOKOSA-N 0 0 303.406 2.471 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N(C)Cc1cnc(N(C)C)nc1 ZINC000302159543 527227711 /nfs/dbraw/zinc/22/77/11/527227711.db2.gz XQFNZWVQRUOCRR-UHFFFAOYSA-N 0 0 309.373 2.253 10 30 DEEERN C=CCCCS(=O)(=O)NCc1cnn(-c2ccccc2)c1 ZINC000292890475 527244642 /nfs/dbraw/zinc/24/46/42/527244642.db2.gz FYZQUHHSSVUGRV-UHFFFAOYSA-N 0 0 305.403 2.258 10 30 DEEERN C=CCn1c(COCC)nnc1N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000337855749 527322721 /nfs/dbraw/zinc/32/27/21/527322721.db2.gz LHKOECLXFFZYRB-CABCVRRESA-N 0 0 320.437 2.254 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000350740319 527356576 /nfs/dbraw/zinc/35/65/76/527356576.db2.gz AFGHUDKNHVYXHF-UPJWGTAASA-N 0 0 305.426 2.068 10 30 DEEERN CC(=O)c1cccc(OC[C@H](O)CN(C[C@@H](C)C#N)C2CC2)c1 ZINC000338364455 527379781 /nfs/dbraw/zinc/37/97/81/527379781.db2.gz ZEKHJNPVTAFFBL-SUMWQHHRSA-N 0 0 316.401 2.253 10 30 DEEERN C=CCCO[C@@H](C)C(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000447679202 527384614 /nfs/dbraw/zinc/38/46/14/527384614.db2.gz CHSFOHPZOVWARM-LBPRGKRZSA-N 0 0 320.389 2.492 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000109997275 527389675 /nfs/dbraw/zinc/38/96/75/527389675.db2.gz IDRHHQHVDCOBGZ-ZIAGYGMSSA-N 0 0 318.421 2.300 10 30 DEEERN C=CCCS(=O)(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189372057 527406406 /nfs/dbraw/zinc/40/64/06/527406406.db2.gz YWENRXFSITXCNU-UHFFFAOYSA-N 0 0 307.415 2.461 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@]2(C)CCCC[C@H]2O)cc1 ZINC000297554808 527437487 /nfs/dbraw/zinc/43/74/87/527437487.db2.gz KDAVQYBAGPOQSN-AEFFLSMTSA-N 0 0 300.402 2.408 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1c1cccn1C ZINC000425858732 527494224 /nfs/dbraw/zinc/49/42/24/527494224.db2.gz RAEUJRHGFPPXIX-IMJJTQAJSA-N 0 0 303.406 2.463 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(C(=O)NCCC)c1 ZINC000424931565 527497975 /nfs/dbraw/zinc/49/79/75/527497975.db2.gz KJZSDNUTJTVYFJ-HOTGVXAUSA-N 0 0 316.401 2.147 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000337616738 527502758 /nfs/dbraw/zinc/50/27/58/527502758.db2.gz DWLOUPAROVFKIQ-LBPRGKRZSA-N 0 0 312.373 2.344 10 30 DEEERN C=CCN(C(=O)[C@H](C)CC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000355621079 527546055 /nfs/dbraw/zinc/54/60/55/527546055.db2.gz LUPHGVCHMICFDC-CHWSQXEVSA-N 0 0 301.452 2.260 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161194311 527595890 /nfs/dbraw/zinc/59/58/90/527595890.db2.gz CBBXAVUULUXSDF-OAHLLOKOSA-N 0 0 317.437 2.371 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N(C)CCOc1ccc(C)cc1 ZINC000297429543 527598150 /nfs/dbraw/zinc/59/81/50/527598150.db2.gz FHUPCEPAHKFVQT-UHFFFAOYSA-N 0 0 316.401 2.033 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)Nc1cc(OC)cc(OC)c1C ZINC000337588723 527602694 /nfs/dbraw/zinc/60/26/94/527602694.db2.gz VJHJUKCWGFLYKU-UHFFFAOYSA-N 0 0 318.373 2.151 10 30 DEEERN C=CCN(CC=C)C(=O)CN1CCO[C@@H](c2nc(C)cs2)C1 ZINC000195392350 527612555 /nfs/dbraw/zinc/61/25/55/527612555.db2.gz NQMJMSFJMQUJHA-CQSZACIVSA-N 0 0 321.446 2.025 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCCN(C(=O)C(C)(C)C)CC1 ZINC000372460465 527615712 /nfs/dbraw/zinc/61/57/12/527615712.db2.gz QKEKKUXWRMVFIH-GOSISDBHSA-N 0 0 324.465 2.322 10 30 DEEERN C=CCN(CC=C)C(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000253491825 527618870 /nfs/dbraw/zinc/61/88/70/527618870.db2.gz NWVWMDGKIVDUAH-KRWDZBQOSA-N 0 0 316.401 2.463 10 30 DEEERN CC1(C)Cc2cccc(S(=O)(=O)N3CCC(C#N)CC3)c2O1 ZINC000192618348 527778769 /nfs/dbraw/zinc/77/87/69/527778769.db2.gz XYTXDGJDBOHRHH-UHFFFAOYSA-N 0 0 320.414 2.324 10 30 DEEERN CCC(=O)N[C@@H]1CCCN(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000442722791 528401581 /nfs/dbraw/zinc/40/15/81/528401581.db2.gz QBQIPFQNSCNSAK-YMAMQOFZSA-N 0 0 320.437 2.017 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@](C)(O)C1CC1 ZINC000440225028 528638156 /nfs/dbraw/zinc/63/81/56/528638156.db2.gz HYPQWCSKTOOFHU-AEFFLSMTSA-N 0 0 316.401 2.239 10 30 DEEERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188997290 529171865 /nfs/dbraw/zinc/17/18/65/529171865.db2.gz UKRGMUWJJGFMIL-STQMWFEESA-N 0 0 313.401 2.009 10 30 DEEERN CC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(F)F ZINC000452268608 535798944 /nfs/dbraw/zinc/79/89/44/535798944.db2.gz YEYLHYHNIKCQSW-OTYXRUKQSA-N 0 0 304.337 2.408 10 30 DEEERN Cc1cc([N+](=O)[O-])ccc1C(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000102122922 649936790 /nfs/dbraw/zinc/93/67/90/649936790.db2.gz LLUUAVMJPCFYCC-ZDUSSCGKSA-N 0 0 324.296 2.259 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)c2nc(C)sc2C)c1 ZINC000179168529 625423784 /nfs/dbraw/zinc/42/37/84/625423784.db2.gz GZXQCKKTAPCWDI-UHFFFAOYSA-N 0 0 313.382 2.110 10 30 DEEERN COc1ccc([C@@H](CC(=O)O[C@@H](C#N)C2CC2)NC(C)=O)cc1 ZINC000177007990 625598079 /nfs/dbraw/zinc/59/80/79/625598079.db2.gz VCLMPZFFCOGWDA-CVEARBPZSA-N 0 0 316.357 2.108 10 30 DEEERN N#C[C@@H](OC(=O)c1ccc(OCC(F)(F)F)nc1)C1CC1 ZINC000177021887 625599877 /nfs/dbraw/zinc/59/98/77/625599877.db2.gz KKWLQNAGDDIZSX-SNVBAGLBSA-N 0 0 300.236 2.482 10 30 DEEERN Cc1cccc(NC(=O)CON=Cc2ccc([N+](=O)[O-])o2)c1 ZINC000255695356 625629303 /nfs/dbraw/zinc/62/93/03/625629303.db2.gz MRUVAEBCGTYABL-UHFFFAOYSA-N 0 0 303.274 2.485 10 30 DEEERN C#CCNC(=O)[C@H](C)OC(=O)COc1cc(C(C)C)ccc1C ZINC000023623610 623316662 /nfs/dbraw/zinc/31/66/62/623316662.db2.gz CKRSLOVUVSPJOZ-AWEZNQCLSA-N 0 0 317.385 2.178 10 30 DEEERN C=CCn1c(C)nn(CN2CC[C@@]3(O)CCCC[C@H]3C2)c1=S ZINC000247237107 623447425 /nfs/dbraw/zinc/44/74/25/623447425.db2.gz YSLKNTGAEUGMOR-HOCLYGCPSA-N 0 0 322.478 2.493 10 30 DEEERN C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1)C1CCOCC1 ZINC000165496167 623663549 /nfs/dbraw/zinc/66/35/49/623663549.db2.gz QWFXAXYPTIXEEU-SWLSCSKDSA-N 0 0 300.358 2.397 10 30 DEEERN N#C[C@H](OC(=O)c1cccc(OCC(F)(F)F)n1)C1CC1 ZINC000177034438 625086704 /nfs/dbraw/zinc/08/67/04/625086704.db2.gz BKDMSHKQXFLETL-JTQLQIEISA-N 0 0 300.236 2.482 10 30 DEEERN C=C(COC(=O)CSCc1ccc(C#N)cc1)C(=O)OCC ZINC000734027607 633312717 /nfs/dbraw/zinc/31/27/17/633312717.db2.gz VHAHYYLKNRNXTQ-UHFFFAOYSA-N 0 0 319.382 2.454 10 30 DEEERN C=C(COC(=O)c1cc(F)cc2nccnc21)C(=O)OCC ZINC000734030059 633313358 /nfs/dbraw/zinc/31/33/58/633313358.db2.gz VFHUOWKUJFQBCN-UHFFFAOYSA-N 0 0 304.277 2.045 10 30 DEEERN C=C(COC(=O)c1c[nH]c2ccc(OC)cc12)C(=O)OCC ZINC000734034266 633314373 /nfs/dbraw/zinc/31/43/73/633314373.db2.gz ZUXQPCMVANDYHM-UHFFFAOYSA-N 0 0 303.314 2.453 10 30 DEEERN C#CCCNC(=O)CCCCCNC(=O)NC1CCCCC1 ZINC000734393123 633369583 /nfs/dbraw/zinc/36/95/83/633369583.db2.gz RSEYLTNESYNOMI-UHFFFAOYSA-N 0 0 307.438 2.318 10 30 DEEERN C=C(COC(=O)C[C@H]1OCCc2ccccc21)C(=O)OCC ZINC000734607888 633406186 /nfs/dbraw/zinc/40/61/86/633406186.db2.gz RCMRRBCEMGKUPC-OAHLLOKOSA-N 0 0 304.342 2.353 10 30 DEEERN Cc1noc(N)c1C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735336646 633503733 /nfs/dbraw/zinc/50/37/33/633503733.db2.gz JDBSIZQNUZMXOF-UHFFFAOYSA-N 0 0 321.720 2.478 10 30 DEEERN C=C(C)CNC(=S)N1CCN(c2ncc(CC)s2)CC1 ZINC000741871445 638021888 /nfs/dbraw/zinc/02/18/88/638021888.db2.gz CBXHSOPRWCUAMS-UHFFFAOYSA-N 0 0 310.492 2.278 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)Cc1ccon1 ZINC000742271558 638056473 /nfs/dbraw/zinc/05/64/73/638056473.db2.gz OAHKVKZLSZQTOK-UHFFFAOYSA-N 0 0 324.314 2.220 10 30 DEEERN C[C@H](Nc1ccc(S(N)(=O)=O)cc1C#N)c1cccc(O)c1 ZINC000742401045 638068498 /nfs/dbraw/zinc/06/84/98/638068498.db2.gz RRVZYQCFKQMRKM-JTQLQIEISA-N 0 0 317.370 2.084 10 30 DEEERN C[C@@H]1CC(Nc2ccc(S(N)(=O)=O)cc2C#N)C[C@@H](C)C1 ZINC000742408941 638069347 /nfs/dbraw/zinc/06/93/47/638069347.db2.gz HUSIVJULFLLGLW-QWRGUYRKSA-N 0 0 307.419 2.442 10 30 DEEERN CC(C)c1cc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)no1 ZINC000743221280 638125673 /nfs/dbraw/zinc/12/56/73/638125673.db2.gz SBRAYDWIYMRFMH-LBPRGKRZSA-N 0 0 303.366 2.002 10 30 DEEERN CC(C)c1cc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)no1 ZINC000743221275 638126034 /nfs/dbraw/zinc/12/60/34/638126034.db2.gz SBRAYDWIYMRFMH-GFCCVEGCSA-N 0 0 303.366 2.002 10 30 DEEERN CC(=NN1CCN(C)CC1)c1c(C)nn(-c2ccccc2)c1C ZINC000746484955 638348038 /nfs/dbraw/zinc/34/80/38/638348038.db2.gz OTNSOIPRYAEDTL-UHFFFAOYSA-N 0 0 311.433 2.461 10 30 DEEERN C#CCN(CC#C)S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000746668355 638367258 /nfs/dbraw/zinc/36/72/58/638367258.db2.gz BTKIHXUQDIAWCY-UHFFFAOYSA-N 0 0 324.814 2.207 10 30 DEEERN CCc1nnc2ccc(NCc3ccc(OC)c(C#N)c3)nn21 ZINC000746712045 638372429 /nfs/dbraw/zinc/37/24/29/638372429.db2.gz YYYAOFDFYGIHRA-UHFFFAOYSA-N 0 0 308.345 2.179 10 30 DEEERN COCCCCCNC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746723598 638372929 /nfs/dbraw/zinc/37/29/29/638372929.db2.gz XGPCXNZCCFEYPH-UHFFFAOYSA-N 0 0 305.378 2.183 10 30 DEEERN COc1ccc(CNC(=O)c2cc(C(C)=O)cn2C)cc1C#N ZINC000746939028 638388251 /nfs/dbraw/zinc/38/82/51/638388251.db2.gz QKRPXCAYKMNEEY-UHFFFAOYSA-N 0 0 311.341 2.038 10 30 DEEERN COc1ccc(CNC(=O)CCCn2ccnc2C)cc1C#N ZINC000747065385 638403556 /nfs/dbraw/zinc/40/35/56/638403556.db2.gz YDJCLGLTPYAEIB-UHFFFAOYSA-N 0 0 312.373 2.168 10 30 DEEERN C=CCCCOC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21 ZINC000747137881 638411319 /nfs/dbraw/zinc/41/13/19/638411319.db2.gz DDTKABMTDLFPOG-SGMGOOAPSA-N 0 0 312.435 2.222 10 30 DEEERN CC[C@@H](C)[C@@](C)(O)CNC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747430852 638436752 /nfs/dbraw/zinc/43/67/52/638436752.db2.gz FXSHABMBPIUCEE-PXAZEXFGSA-N 0 0 319.405 2.163 10 30 DEEERN COc1ccc(CNC(=O)[C@@](C)(O)Cc2ccccc2)cc1C#N ZINC000747446825 638438429 /nfs/dbraw/zinc/43/84/29/638438429.db2.gz IXJWGPKPNYBSLI-IBGZPJMESA-N 0 0 324.380 2.177 10 30 DEEERN Cc1c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cnc2ccccc12 ZINC000748710264 638585206 /nfs/dbraw/zinc/58/52/06/638585206.db2.gz ASSTUKOJGQDAGY-HNNXBMFYSA-N 0 0 320.396 2.356 10 30 DEEERN Cn1c(CNC(=O)Cc2cccc(C#N)c2)nc2cc(F)ccc21 ZINC000749387606 638641913 /nfs/dbraw/zinc/64/19/13/638641913.db2.gz BXTTWASGLLSECT-UHFFFAOYSA-N 0 0 322.343 2.443 10 30 DEEERN C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)Cc2cccc(C#N)c2)C1 ZINC000750431679 638743633 /nfs/dbraw/zinc/74/36/33/638743633.db2.gz VUKAGANQTCQYEN-ZIAGYGMSSA-N 0 0 314.385 2.148 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1cnn2c1CCCC2 ZINC000750629955 639008995 /nfs/dbraw/zinc/00/89/95/639008995.db2.gz HVNURFRXUSRMIZ-CYBMUJFWSA-N 0 0 319.405 2.189 10 30 DEEERN COc1ccc(CNC(=O)N2CCC[C@H]2C[C@@H](C)O)cc1C#N ZINC000752684620 639208636 /nfs/dbraw/zinc/20/86/36/639208636.db2.gz MAEZMGNZUSQEHF-DOMZBBRYSA-N 0 0 317.389 2.012 10 30 DEEERN COC(=O)c1ccc(S(=O)(=O)N(CCC#N)CC(C)C)cc1 ZINC000728710398 639292987 /nfs/dbraw/zinc/29/29/87/639292987.db2.gz IVFHHUNUBGZZCL-UHFFFAOYSA-N 0 0 324.402 2.034 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1c(F)cc(OC)cc1F)C(C)(C)C ZINC000805146837 639840480 /nfs/dbraw/zinc/84/04/80/639840480.db2.gz NAKFPCGNLAAHGB-LBPRGKRZSA-N 0 0 317.357 2.300 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(C)(C)C ZINC000805147003 639840500 /nfs/dbraw/zinc/84/05/00/639840500.db2.gz HASSNMLQFOXCAI-ZDUSSCGKSA-N 0 0 310.375 2.229 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccc(C)nc1Cl)C(C)(C)C ZINC000805147564 639842455 /nfs/dbraw/zinc/84/24/55/639842455.db2.gz ZVRRQOZUYOUJQK-NSHDSACASA-N 0 0 300.811 2.370 10 30 DEEERN C#Cc1ccc(C(=O)OCc2cnn(-c3ccccc3)n2)cn1 ZINC000729032038 639950911 /nfs/dbraw/zinc/95/09/11/639950911.db2.gz YEQZTDRZNQYSQJ-UHFFFAOYSA-N 0 0 304.309 2.001 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCC1(C)OCCO1 ZINC000805282885 640621212 /nfs/dbraw/zinc/62/12/12/640621212.db2.gz ZGJQBXKBWLLVMI-MRXNPFEDSA-N 0 0 316.401 2.073 10 30 DEEERN C=C(C)[C@H](NC(=O)NCc1cnn(C)n1)c1ccc(F)c(F)c1 ZINC000805302027 640754824 /nfs/dbraw/zinc/75/48/24/640754824.db2.gz BWBRKFQLFCRACK-AWEZNQCLSA-N 0 0 321.331 2.210 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NOC1CCOCC1 ZINC000805307278 640794495 /nfs/dbraw/zinc/79/44/95/640794495.db2.gz SWLFMUPOAVYRNC-HNNXBMFYSA-N 0 0 302.374 2.031 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1occc1C(=O)OC ZINC000800264118 645247272 /nfs/dbraw/zinc/24/72/72/645247272.db2.gz LMBBGSMLBXTDDH-NSHDSACASA-N 0 0 323.345 2.036 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(C(N)=O)cc1 ZINC000803524151 645668698 /nfs/dbraw/zinc/66/86/98/645668698.db2.gz WXAKVQUHYQSXEK-SFHVURJKSA-N 0 0 320.392 2.079 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1nnc(-c2ccc(OC)cc2)o1 ZINC000803697996 645681020 /nfs/dbraw/zinc/68/10/20/645681020.db2.gz ZPDSXPOWNXWRLR-UHFFFAOYSA-N 0 0 324.336 2.451 10 30 DEEERN C=CCOCCCOC(=O)c1cc2ccccc2c(=O)n1C ZINC000803871369 645708323 /nfs/dbraw/zinc/70/83/23/645708323.db2.gz HGDRBLFGWSLTFN-UHFFFAOYSA-N 0 0 301.342 2.288 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC000804459196 645774103 /nfs/dbraw/zinc/77/41/03/645774103.db2.gz SCINNGOZYYFHJO-APWZRJJASA-N 0 0 312.413 2.186 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)N1CCSCC1 ZINC000804457307 645774199 /nfs/dbraw/zinc/77/41/99/645774199.db2.gz SIEPVXGCUPWFMU-DOTOQJQBSA-N 0 0 316.470 2.175 10 30 DEEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CSC(=O)N1 ZINC000804558331 645789692 /nfs/dbraw/zinc/78/96/92/645789692.db2.gz CKEMGPGDWMYWMA-ZDUSSCGKSA-N 0 0 322.434 2.194 10 30 DEEERN C#Cc1cncc(C(=O)NCc2cn3cc(Cl)ccc3n2)c1 ZINC000806371826 645824245 /nfs/dbraw/zinc/82/42/45/645824245.db2.gz WUYUGBGHFHITBU-UHFFFAOYSA-N 0 0 310.744 2.294 10 30 DEEERN C#CCC(CC#C)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000806685779 645863241 /nfs/dbraw/zinc/86/32/41/645863241.db2.gz YNQTWIGEAQSKKZ-UHFFFAOYSA-N 0 0 311.381 2.472 10 30 DEEERN C#C[C@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000807013640 645900943 /nfs/dbraw/zinc/90/09/43/645900943.db2.gz YSSULZYGSMXIBY-ZETCQYMHSA-N 0 0 318.682 2.435 10 30 DEEERN C#Cc1cncc(C(=O)N[C@H]2CCOC3(CCSCC3)C2)c1 ZINC000807111093 645913035 /nfs/dbraw/zinc/91/30/35/645913035.db2.gz BJNCJSAXWRKHAK-HNNXBMFYSA-N 0 0 316.426 2.238 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC[C@@H](O)CC ZINC000807465607 645953254 /nfs/dbraw/zinc/95/32/54/645953254.db2.gz DCMYGHFUGHZTQJ-IRXDYDNUSA-N 0 0 302.418 2.471 10 30 DEEERN CC(=NNC(=S)NCC1CCC1)c1cn2c(n1)CCCC2 ZINC000807969581 646013021 /nfs/dbraw/zinc/01/30/21/646013021.db2.gz TYDBEYHMWRHIHA-UHFFFAOYSA-N 0 0 305.451 2.208 10 30 DEEERN CC(=NNC(=S)Nc1ccccn1)c1cn2c(n1)CCCC2 ZINC000807978180 646014441 /nfs/dbraw/zinc/01/44/41/646014441.db2.gz MQJCERURVDMTSD-UHFFFAOYSA-N 0 0 314.418 2.325 10 30 DEEERN C#CCOCCC(=O)OC1CCN(c2ccc(Cl)cn2)CC1 ZINC000166566121 646525974 /nfs/dbraw/zinc/52/59/74/646525974.db2.gz OUYCLGKSEFIUBF-UHFFFAOYSA-N 0 0 322.792 2.287 10 30 DEEERN C=CCN(CC(F)(F)F)S(=O)(=O)c1ccc(OC)cc1 ZINC000060208316 646608152 /nfs/dbraw/zinc/60/81/52/646608152.db2.gz GVNGBLXUILIPHK-UHFFFAOYSA-N 0 0 309.309 2.434 10 30 DEEERN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C2CC2)c1 ZINC000171497611 646703162 /nfs/dbraw/zinc/70/31/62/646703162.db2.gz PBHWUVQFUZCZQB-NSHDSACASA-N 0 0 309.387 2.106 10 30 DEEERN C#CCCCNC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000172937365 646755303 /nfs/dbraw/zinc/75/53/03/646755303.db2.gz UVEFWMIDHJRNBX-INIZCTEOSA-N 0 0 300.402 2.279 10 30 DEEERN C=CCC(CC=C)C(=O)Oc1ccc(OCC(=O)NC)cc1 ZINC000151541538 646896437 /nfs/dbraw/zinc/89/64/37/646896437.db2.gz MMQIOMHRMZHKPU-UHFFFAOYSA-N 0 0 303.358 2.485 10 30 DEEERN C=C(Cl)COC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000730316083 646911615 /nfs/dbraw/zinc/91/16/15/646911615.db2.gz UKOFRVHEPPCKIO-NSHDSACASA-N 0 0 303.811 2.374 10 30 DEEERN C#CCSCCNC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000153394834 647444654 /nfs/dbraw/zinc/44/46/54/647444654.db2.gz NWMDXYJIXDTSNY-GFCCVEGCSA-N 0 0 320.414 2.184 10 30 DEEERN Cc1ccc2c(CC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)coc2c1 ZINC000732648831 647635879 /nfs/dbraw/zinc/63/58/79/647635879.db2.gz IYOWBOZLKKVJEB-INIZCTEOSA-N 0 0 323.396 2.483 10 30 DEEERN CC(C)n1cc(C=NNc2ccc(S(C)(=O)=O)cc2)cn1 ZINC000732713031 647644746 /nfs/dbraw/zinc/64/47/46/647644746.db2.gz VKPOPMFRDGZKBN-UHFFFAOYSA-N 0 0 306.391 2.314 10 30 DEEERN C#CCN(C1CCCC1)S(=O)(=O)c1c(CC)nn(C)c1CC ZINC000154061177 647882511 /nfs/dbraw/zinc/88/25/11/647882511.db2.gz HXBVTEQLDKGQEM-UHFFFAOYSA-N 0 0 323.462 2.111 10 30 DEEERN Cn1cc(C#N)cc1C(=O)OCc1nc(-c2ccsc2)no1 ZINC000175568912 648354777 /nfs/dbraw/zinc/35/47/77/648354777.db2.gz WGKLNADHXHDZKW-UHFFFAOYSA-N 0 0 314.326 2.365 10 30 DEEERN N#CC1(c2ccc(C(=O)OCCN3CCCCC3=O)cc2)CC1 ZINC000180047169 648451453 /nfs/dbraw/zinc/45/14/53/648451453.db2.gz WDXVDLVQYVUFQC-UHFFFAOYSA-N 0 0 312.369 2.411 10 30 DEEERN COc1cccc(C#CCOC(=O)c2ccc3nnn(C)c3c2)c1 ZINC000183633336 649123617 /nfs/dbraw/zinc/12/36/17/649123617.db2.gz SXGPYZVTVJBNIN-UHFFFAOYSA-N 0 0 321.336 2.185 10 30 DEEERN C#CCOc1ccccc1NC(=O)C(=O)NC[C@H](C)C(C)C ZINC000184579277 649307704 /nfs/dbraw/zinc/30/77/04/649307704.db2.gz WTHIIUNZLFGITG-ZDUSSCGKSA-N 0 0 302.374 2.045 10 30 DEEERN C#CCCNC(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1 ZINC000733247274 649463413 /nfs/dbraw/zinc/46/34/13/649463413.db2.gz LUIXOCFNCKJCFX-UHFFFAOYSA-N 0 0 304.353 2.482 10 30 DEEERN C#CCCNC(=O)c1ccc(I)c(F)c1 ZINC000733247994 649463593 /nfs/dbraw/zinc/46/35/93/649463593.db2.gz ICKJDNKCYYKRJT-UHFFFAOYSA-N 0 0 317.101 2.183 10 30 DEEERN C#CCCN/C=C1\c2ccccc2C(=O)N(c2ccccn2)C1=O ZINC000733249036 649463930 /nfs/dbraw/zinc/46/39/30/649463930.db2.gz BBKGSDQVXJDCML-DTQAZKPQSA-N 0 0 317.348 2.222 10 30 DEEERN C=CCc1ccccc1OC(=O)c1cn(CC2(C)COC2)nn1 ZINC000185249931 649482032 /nfs/dbraw/zinc/48/20/32/649482032.db2.gz WVPOFICQXHFSRY-UHFFFAOYSA-N 0 0 313.357 2.262 10 30 DEEERN C#CCCNC(=O)NCc1ccc(C(=O)NCCCC)cc1 ZINC000733344319 649548707 /nfs/dbraw/zinc/54/87/07/649548707.db2.gz XNLYIAXILRBLKQ-UHFFFAOYSA-N 0 0 301.390 2.039 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)[C@H]1C[C@H]1c1cccc(OC)c1 ZINC000106635690 651373149 /nfs/dbraw/zinc/37/31/49/651373149.db2.gz ZMBBEGXAKOMGKG-HOTGVXAUSA-N 0 0 317.385 2.376 10 30 DEEERN C=CCn1nnn(CN(CCC)C[C@@H]2CCCCO2)c1=S ZINC000106856464 651395564 /nfs/dbraw/zinc/39/55/64/651395564.db2.gz RWENXFROQMYMJA-ZDUSSCGKSA-N 0 0 311.455 2.234 10 30 DEEERN C#CCOc1ccccc1OC(=O)c1ccc(-n2cncn2)cc1 ZINC000107416780 651442486 /nfs/dbraw/zinc/44/24/86/651442486.db2.gz MOFOFKFTUHQCEK-UHFFFAOYSA-N 0 0 319.320 2.499 10 30 DEEERN C=CCc1cc(C(=O)N[C@@H](C#N)C2CC2)cc(OC)c1OC ZINC000108828165 651721178 /nfs/dbraw/zinc/72/11/78/651721178.db2.gz RXYSUVLRIXODGT-AWEZNQCLSA-N 0 0 300.358 2.464 10 30 DEEERN C=CCOc1ccc(C(=O)OC[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000086059562 684011595 /nfs/dbraw/zinc/01/15/95/684011595.db2.gz OLIGITWPXIUGGL-ZDUSSCGKSA-N 0 0 315.369 2.419 10 30 DEEERN CCN(CC)C(=O)CCC(=O)OCC#Cc1cccc(OC)c1 ZINC000088815785 684019285 /nfs/dbraw/zinc/01/92/85/684019285.db2.gz YGCLAUYVECVGFM-UHFFFAOYSA-N 0 0 317.385 2.239 10 30 DEEERN C=CCC[C@H](C)OC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000089319090 684021973 /nfs/dbraw/zinc/02/19/73/684021973.db2.gz KYJIRRVOCUGGBJ-GDZNZVCISA-N 0 0 322.405 2.385 10 30 DEEERN C=CCC[C@H](C)OC(=O)CCc1nc(-c2ncccn2)no1 ZINC000089319498 684021997 /nfs/dbraw/zinc/02/19/97/684021997.db2.gz YLWUITGOTKUEKH-NSHDSACASA-N 0 0 302.334 2.357 10 30 DEEERN C=CCN(CC(=O)OCC)Cc1ccc(N2CCOCC2)cc1 ZINC000091773389 684039130 /nfs/dbraw/zinc/03/91/30/684039130.db2.gz BZRCHZTXMBEPSM-UHFFFAOYSA-N 0 0 318.417 2.074 10 30 DEEERN C#CCOCCC(=O)OCCNc1ccc(C(F)(F)F)cn1 ZINC000118955226 684075142 /nfs/dbraw/zinc/07/51/42/684075142.db2.gz MRDOTEJCAPUQDF-UHFFFAOYSA-N 0 0 316.279 2.095 10 30 DEEERN C=CCOc1ccccc1C(=O)OC1CCN(CC#N)CC1 ZINC000120842634 684101583 /nfs/dbraw/zinc/10/15/83/684101583.db2.gz GDLIHHJOJPTVRD-UHFFFAOYSA-N 0 0 300.358 2.396 10 30 DEEERN CNC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000133376389 684219079 /nfs/dbraw/zinc/21/90/79/684219079.db2.gz IAVZREMJBNKRRO-IONNQARKSA-N 0 0 315.156 2.216 10 30 DEEERN C#CCCCCNC(=O)C(=O)Nc1cc(-n2cccn2)ccc1C ZINC000187891311 684345105 /nfs/dbraw/zinc/34/51/05/684345105.db2.gz CGJURJPDUBNYSN-UHFFFAOYSA-N 0 0 324.384 2.039 10 30 DEEERN C#CCSCCNC(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000188119886 684349740 /nfs/dbraw/zinc/34/97/40/684349740.db2.gz KIXLIHATGXCFFP-UHFFFAOYSA-N 0 0 310.463 2.486 10 30 DEEERN C[C@H](C#N)NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000192455611 684450314 /nfs/dbraw/zinc/45/03/14/684450314.db2.gz PHFKYHALMIGYAA-PXAZEXFGSA-N 0 0 317.389 2.455 10 30 DEEERN CCO[C@H]1C[C@H]1COC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000193143980 685033168 /nfs/dbraw/zinc/03/31/68/685033168.db2.gz LQNPEQLWIGWOCV-HOCLYGCPSA-N 0 0 319.405 2.314 10 30 DEEERN CCO[C@@H]1C[C@H]1COC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000193143966 685033618 /nfs/dbraw/zinc/03/36/18/685033618.db2.gz LQNPEQLWIGWOCV-GOEBONIOSA-N 0 0 319.405 2.314 10 30 DEEERN CC(=O)N1C[C@H](Nc2cccc(C#N)n2)CC[C@@H]1C(F)(F)F ZINC000886060660 691995269 /nfs/dbraw/zinc/99/52/69/691995269.db2.gz ZSKLRJQAEIEPIJ-VXGBXAGGSA-N 0 0 312.295 2.307 10 30 DEEERN N#Cc1ccc(OCCNC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588406626 777081436 /nfs/dbraw/zinc/08/14/36/777081436.db2.gz SAEBHHFCKMIHEE-YWEYNIOJSA-N 0 0 324.336 2.178 10 30 DEEERN C#CCN1CCN(C(=O)/C(C)=C\c2ccc(OC)c(F)c2)CC1 ZINC000588445851 777202668 /nfs/dbraw/zinc/20/26/68/777202668.db2.gz NLBCODDWPZUGCC-OWBHPGMISA-N 0 0 316.376 2.015 10 30 DEEERN CCc1ccc(NC(=O)[C@H](C#N)C(=O)C=Cc2ccncn2)cc1 ZINC000588468216 777238835 /nfs/dbraw/zinc/23/88/35/777238835.db2.gz FBISTCUGYRQEBQ-XITLMJRVSA-N 0 0 320.352 2.400 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)S3)s1 ZINC000403585507 777248171 /nfs/dbraw/zinc/24/81/71/777248171.db2.gz XIFPNZIZOHKKRX-PBINXNQUSA-N 0 0 314.457 2.325 10 30 DEEERN N#Cc1cccc(-c2nnc(COC(=O)C3=COCCC3)o2)c1 ZINC000744986143 784649373 /nfs/dbraw/zinc/64/93/73/784649373.db2.gz CCDXLXPLEYLOFD-UHFFFAOYSA-N 0 0 311.297 2.346 10 30 DEEERN Cc1cc(S(=O)(=O)NCC[C@H]2CCCS2)ccc1C#N ZINC000715968554 792541378 /nfs/dbraw/zinc/54/13/78/792541378.db2.gz RLOVRFDWIOKERJ-CYBMUJFWSA-N 0 0 310.444 2.431 10 30 DEEERN C#CC[C@H](COC)NC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000716320246 792952310 /nfs/dbraw/zinc/95/23/10/792952310.db2.gz BGKDHGVISOEQGK-SECBINFHSA-N 0 0 301.173 2.344 10 30 DEEERN C#CC[C@H](COC)NC(=O)c1cc(Cl)c(Cl)nc1C ZINC000716830672 793007971 /nfs/dbraw/zinc/00/79/71/793007971.db2.gz XHLYVBGTJZDAGB-SECBINFHSA-N 0 0 301.173 2.465 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnc(Cl)c(Br)c1 ZINC000316101880 802498585 /nfs/dbraw/zinc/49/85/85/802498585.db2.gz DEQPKJQJWOBMOI-QMMMGPOBSA-N 0 0 319.586 2.164 10 30 DEEERN C#Cc1cccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 ZINC000023359275 1078170814 /nfs/dbraw/zinc/17/08/14/1078170814.db2.gz IXOHHLWKXFVSNX-GFCCVEGCSA-N 0 0 318.332 2.291 10 30 DEEERN COCCN(CCC#N)S(=O)(=O)CCC(C)(C)C1CC1 ZINC000718014790 1081864234 /nfs/dbraw/zinc/86/42/34/1081864234.db2.gz MPOQDDWWMNLCGT-UHFFFAOYSA-N 0 0 302.440 2.005 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)NCC[C@H]1CCSC1 ZINC000704785772 1086591391 /nfs/dbraw/zinc/59/13/91/1086591391.db2.gz DQIKTQCQCDYDHD-LBPRGKRZSA-N 0 0 310.444 2.288 10 30 DEEERN C#CC1(O)CCN(C(=O)c2cccn2Cc2ccccc2)CC1 ZINC000708094229 1086676862 /nfs/dbraw/zinc/67/68/62/1086676862.db2.gz LBUPYHYUOYPSDJ-UHFFFAOYSA-N 0 0 308.381 2.137 10 30 DEEERN COC(C)(C)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000720055520 1089445585 /nfs/dbraw/zinc/44/55/85/1089445585.db2.gz XQXQIDSSTZZNIR-VIFPVBQESA-N 0 0 316.810 2.303 10 30 DEEERN N#Cc1cccc(NC(=O)[C@@H]2NC(=O)O[C@@H]2c2ccccc2)c1 ZINC000074695060 185009931 /nfs/dbraw/zinc/00/99/31/185009931.db2.gz KVEFORXLRFHTOV-HUUCEWRRSA-N 0 0 307.309 2.346 10 30 DEEERN CN1c2cccc(C(=O)Nc3cccc(C#N)c3)c2OCC1=O ZINC000074733410 185014765 /nfs/dbraw/zinc/01/47/65/185014765.db2.gz CBRPXOLFTCFDGD-UHFFFAOYSA-N 0 0 307.309 2.166 10 30 DEEERN C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC2(C1)CCCO2 ZINC000624843162 365568481 /nfs/dbraw/zinc/56/84/81/365568481.db2.gz KBEJBLTWORWZGR-CHWSQXEVSA-N 0 0 304.394 2.073 10 30 DEEERN C=CCN(CC=C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000278375381 214127027 /nfs/dbraw/zinc/12/70/27/214127027.db2.gz LAJWCTDHIIKPMT-OAHLLOKOSA-N 0 0 317.437 2.081 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(OC(C)(C)C)CC1 ZINC000612338459 361797629 /nfs/dbraw/zinc/79/76/29/361797629.db2.gz XFWXCGZDWLNRKW-HNNXBMFYSA-N 0 0 310.438 2.263 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)Cc1cc(Cl)cn1C ZINC000612293056 361783217 /nfs/dbraw/zinc/78/32/17/361783217.db2.gz UFSPNZJHUDNKLW-CQSZACIVSA-N 0 0 311.813 2.108 10 30 DEEERN C=C(C)Cn1c(CC(C)C)nnc1N1CCO[C@@](C)(COC)C1 ZINC000624971675 365603045 /nfs/dbraw/zinc/60/30/45/365603045.db2.gz RWRAKTMDEXVDPA-QGZVFWFLSA-N 0 0 322.453 2.294 10 30 DEEERN C=C(C)Cn1c(CC(F)(F)F)nnc1N1CC2(C1)CCCO2 ZINC000624977643 365605402 /nfs/dbraw/zinc/60/54/02/365605402.db2.gz NUXJCJJHUZETEP-UHFFFAOYSA-N 0 0 316.327 2.328 10 30 DEEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[C@@H](C)[C@H](F)C1 ZINC000624990503 365609143 /nfs/dbraw/zinc/60/91/43/365609143.db2.gz DDQMGYBOPXGXQX-DGCLKSJQSA-N 0 0 304.373 2.429 10 30 DEEERN COc1cccc(N2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC000181273975 199274200 /nfs/dbraw/zinc/27/42/00/199274200.db2.gz AQHQDIMHXYNERZ-CYBMUJFWSA-N 0 0 324.384 2.151 10 30 DEEERN C=CCCCN(C)c1nnc(-c2cn[nH]c2)n1C[C@H]1CCOC1 ZINC000625171096 365668662 /nfs/dbraw/zinc/66/86/62/365668662.db2.gz YQECFMLBGMQPES-CYBMUJFWSA-N 0 0 316.409 2.107 10 30 DEEERN C=CCN(CC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)=O ZINC000096775369 185387058 /nfs/dbraw/zinc/38/70/58/185387058.db2.gz JDXWNIPVGYFJDE-UHFFFAOYSA-N 0 0 317.414 2.472 10 30 DEEERN C#CCOc1c(C)n(CCOc2ccc(OC)cc2)ccc1=O ZINC000096777184 185387070 /nfs/dbraw/zinc/38/70/70/185387070.db2.gz YLXWVFZMLJQDIN-UHFFFAOYSA-N 0 0 313.353 2.256 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccn(C2CCCC2)n1 ZINC000612670787 361887906 /nfs/dbraw/zinc/88/79/06/361887906.db2.gz OZOMIVHEKJBKKD-INIZCTEOSA-N 0 0 318.421 2.085 10 30 DEEERN CC[C@@H](CC#N)NC(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC000184162109 529445960 /nfs/dbraw/zinc/44/59/60/529445960.db2.gz GNCLHWIDNCEFBS-LBPRGKRZSA-N 0 0 323.393 2.306 10 30 DEEERN CC(C)c1nnsc1C(=O)Nc1ccc(C#CCO)cc1 ZINC000087443170 185225225 /nfs/dbraw/zinc/22/52/25/185225225.db2.gz KTILEMHPXAKMOX-UHFFFAOYSA-N 0 0 301.371 2.258 10 30 DEEERN CC[C@@H](NC(=O)NCC1CCC(C#N)CC1)[C@@H](O)C(F)(F)F ZINC000442741212 529621100 /nfs/dbraw/zinc/62/11/00/529621100.db2.gz UTYWDNSZSVQNQP-KIDURHIOSA-N 0 0 321.343 2.317 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1cccc2c1OCCO2 ZINC000625327551 365731384 /nfs/dbraw/zinc/73/13/84/365731384.db2.gz GDKYCTRYBXYQKE-UHFFFAOYSA-N 0 0 311.403 2.338 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@@H](C)c1nccs1 ZINC000613468697 362121764 /nfs/dbraw/zinc/12/17/64/362121764.db2.gz VKCKGKLAXWVWPA-DGCLKSJQSA-N 0 0 309.435 2.176 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@H](C)c1nccs1 ZINC000613468698 362121771 /nfs/dbraw/zinc/12/17/71/362121771.db2.gz VKCKGKLAXWVWPA-WCQYABFASA-N 0 0 309.435 2.176 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)C[C@H](Cc2ccccc2)OC)C1 ZINC000625356092 365745294 /nfs/dbraw/zinc/74/52/94/365745294.db2.gz ZUEXXTWXSBVVSU-SJORKVTESA-N 0 0 323.458 2.472 10 30 DEEERN COc1cccnc1NC(=O)NCc1ccc(C#N)cc1F ZINC000613864405 362235636 /nfs/dbraw/zinc/23/56/36/362235636.db2.gz MDPXMNDVQSCODW-UHFFFAOYSA-N 0 0 300.293 2.423 10 30 DEEERN COC(=NC(=O)c1cccs1)NCc1ccc2c(c1)OCO2 ZINC000004709058 539327235 /nfs/dbraw/zinc/32/72/35/539327235.db2.gz OSVULVAXLKKYGJ-UHFFFAOYSA-N 0 0 318.354 2.409 10 30 DEEERN CN(C)c1ncc(CN(C)c2c(F)cc(C#N)cc2F)cn1 ZINC000302032789 529806932 /nfs/dbraw/zinc/80/69/32/529806932.db2.gz NYEMGKFGODJHKZ-UHFFFAOYSA-N 0 0 303.316 2.329 10 30 DEEERN CN(CCn1cccn1)c1ncc(Br)cc1C#N ZINC000297121238 529940953 /nfs/dbraw/zinc/94/09/53/529940953.db2.gz MKTMBPFQXDELAV-UHFFFAOYSA-N 0 0 306.167 2.049 10 30 DEEERN C=CCN1C(=O)C(c2ccc(F)cc2)=C(N2CCCC2)C1=O ZINC000169985811 197763844 /nfs/dbraw/zinc/76/38/44/197763844.db2.gz NFAIMBPYWXDETB-UHFFFAOYSA-N 0 0 300.333 2.187 10 30 DEEERN C=CC[C@@H](C(=O)N1CC(CN2CCOCC2)C1)c1ccccc1 ZINC000615142114 362544828 /nfs/dbraw/zinc/54/48/28/362544828.db2.gz XHXZXDIQXIJQME-GOSISDBHSA-N 0 0 314.429 2.137 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)Cc1c(F)cccc1F ZINC000615368858 362596723 /nfs/dbraw/zinc/59/67/23/362596723.db2.gz JAOZISPPFYVJHA-OAHLLOKOSA-N 0 0 310.344 2.394 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000625504506 365808203 /nfs/dbraw/zinc/80/82/03/365808203.db2.gz WJQDGTDHQGUARA-HNNXBMFYSA-N 0 0 322.449 2.123 10 30 DEEERN COC(=O)CC1(CC(=O)N[C@]2(C#N)CCSC2)CCCC1 ZINC000615656277 362672329 /nfs/dbraw/zinc/67/23/29/362672329.db2.gz LMLJRWGYMAAVKG-HNNXBMFYSA-N 0 0 310.419 2.015 10 30 DEEERN CO[C@@H](C)[C@H](C)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000615668890 362676403 /nfs/dbraw/zinc/67/64/03/362676403.db2.gz GVEYBBIXTFFZOL-HEHGZKQESA-N 0 0 301.390 2.067 10 30 DEEERN COC(=O)C[C@@H](NC(=O)c1sccc1C#N)c1ccncc1 ZINC000615671736 362676852 /nfs/dbraw/zinc/67/68/52/362676852.db2.gz ZWNNFHFFOVEHTJ-GFCCVEGCSA-N 0 0 315.354 2.049 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCc2cccc(OC)c2C1 ZINC000615960104 362739421 /nfs/dbraw/zinc/73/94/21/362739421.db2.gz YOCXVCBUIJQLCU-INIZCTEOSA-N 0 0 316.401 2.051 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)Cc1cnccc1C ZINC000625526881 365814382 /nfs/dbraw/zinc/81/43/82/365814382.db2.gz MAHSTRYMNVQHOH-UHFFFAOYSA-N 0 0 303.406 2.067 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCSC(C)(C)CC1 ZINC000625613642 365849766 /nfs/dbraw/zinc/84/97/66/365849766.db2.gz QTRBDLXNPPKNTK-UHFFFAOYSA-N 0 0 312.479 2.449 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC000625678790 365869714 /nfs/dbraw/zinc/86/97/14/365869714.db2.gz YQDUJYJKIXUKMG-ZXFNITATSA-N 0 0 304.434 2.354 10 30 DEEERN C=C[C@@](C)(O)C(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000616508281 362876339 /nfs/dbraw/zinc/87/63/39/362876339.db2.gz HKHZSWQUFDGKOU-SWLSCSKDSA-N 0 0 313.756 2.316 10 30 DEEERN C[C@](O)(CNC(=O)c1cc(O)cc(C#N)c1)C1CCCCC1 ZINC000616537327 362884184 /nfs/dbraw/zinc/88/41/84/362884184.db2.gz BAECCEGDQOGFDV-KRWDZBQOSA-N 0 0 302.374 2.325 10 30 DEEERN CCOC(=O)c1cc(I)cc(C#N)c1 ZINC000616578707 362893651 /nfs/dbraw/zinc/89/36/51/362893651.db2.gz ZSPDYZVUHFJREL-UHFFFAOYSA-N 0 0 301.083 2.340 10 30 DEEERN CN(c1cccc(C#N)c1)S(=O)(=O)c1cccc(F)c1N ZINC000070446314 190894410 /nfs/dbraw/zinc/89/44/10/190894410.db2.gz RHESZDKHRIAIHM-UHFFFAOYSA-N 0 0 305.334 2.105 10 30 DEEERN C#CCC(CC#C)C(=O)N1C[C@@H](C(=O)NCCCC)CC[C@H]1C ZINC000277347443 213462640 /nfs/dbraw/zinc/46/26/40/213462640.db2.gz DYFNSLLVKRLXAJ-WBVHZDCISA-N 0 0 316.445 2.193 10 30 DEEERN N#C[C@H]1CCC[C@@H]1S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000084251601 192416710 /nfs/dbraw/zinc/41/67/10/192416710.db2.gz MJEGAJSGRDGXSG-ABAIWWIYSA-N 0 0 307.371 2.314 10 30 DEEERN COC(=O)[C@H](C)N1C(=O)c2c(cccc2C(F)(F)F)C1C#N ZINC000071681152 191007752 /nfs/dbraw/zinc/00/77/52/191007752.db2.gz GMJLKAXCUFQHKE-OIBJUYFYSA-N 0 0 312.247 2.287 10 30 DEEERN C[C@@H]1SCCN(C(=O)c2ccc(C#CCCO)s2)[C@H]1C ZINC000133634376 186001669 /nfs/dbraw/zinc/00/16/69/186001669.db2.gz DDRSCKAXGFVPBQ-RYUDHWBXSA-N 0 0 309.456 2.448 10 30 DEEERN C[C@H]1SCCN(C(=O)c2ccc(C#CCO)c(F)c2)[C@@H]1C ZINC000133637919 186002515 /nfs/dbraw/zinc/00/25/15/186002515.db2.gz OHPZGJUIUNWMFJ-VXGBXAGGSA-N 0 0 307.390 2.136 10 30 DEEERN Cc1cc(C#CCO)cc(C(=O)N2CCS[C@H](C)[C@H]2C)c1 ZINC000133659117 186004045 /nfs/dbraw/zinc/00/40/45/186004045.db2.gz WFKUZSOEPRYXEJ-ZIAGYGMSSA-N 0 0 303.427 2.305 10 30 DEEERN Cc1cc(C(=O)N[C@@H](C)c2ncc[nH]2)sc1C#CCCO ZINC000141608976 186030284 /nfs/dbraw/zinc/03/02/84/186030284.db2.gz LVAUIASUJQPPFD-NSHDSACASA-N 0 0 303.387 2.005 10 30 DEEERN C[C@@H]1CCC[C@H](C)N1NS(=O)(=O)c1ccc(CC#N)cc1 ZINC000147791129 186042144 /nfs/dbraw/zinc/04/21/44/186042144.db2.gz MECLTPNOSAITSV-BETUJISGSA-N 0 0 307.419 2.209 10 30 DEEERN C#C[C@@H](C)NC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000186010328 186231317 /nfs/dbraw/zinc/23/13/17/186231317.db2.gz MDDLNDLUFIBATD-GFCCVEGCSA-N 0 0 302.374 2.463 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cccnc1 ZINC000617039285 363006853 /nfs/dbraw/zinc/00/68/53/363006853.db2.gz FNAPFWBXZZFZOP-ZFWWWQNUSA-N 0 0 301.390 2.063 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CCCN1C(=O)CCC1=O ZINC000617037238 363006947 /nfs/dbraw/zinc/00/69/47/363006947.db2.gz JWHGWOUDWCELQX-ZIAGYGMSSA-N 0 0 306.406 2.167 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CC(=O)NCC(F)(F)F ZINC000617041852 363007624 /nfs/dbraw/zinc/00/76/24/363007624.db2.gz JXJOQQGNEPDINZ-WDEREUQCSA-N 0 0 306.328 2.306 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)C(C)(C)C ZINC000617042127 363007988 /nfs/dbraw/zinc/00/79/88/363007988.db2.gz NRJXZVGSPNKRKE-QWHCGFSZSA-N 0 0 301.452 2.451 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(CC#N)CC1 ZINC000595498853 358465088 /nfs/dbraw/zinc/46/50/88/358465088.db2.gz JRJYDSAVUKEZJE-GDBMZVCRSA-N 0 0 304.438 2.408 10 30 DEEERN C=C(C)COCCNC(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000626125000 366062684 /nfs/dbraw/zinc/06/26/84/366062684.db2.gz AEMMXCRWGPBEPJ-UHFFFAOYSA-N 0 0 302.296 2.352 10 30 DEEERN C=C(C)COCCNC(=O)c1cc(C)n([C@@H]2CCOC2)c1C ZINC000626125717 366062934 /nfs/dbraw/zinc/06/29/34/366062934.db2.gz VKPQJPPGWFNPSD-OAHLLOKOSA-N 0 0 306.406 2.389 10 30 DEEERN C=C(C)COc1cccc(NC(=O)[C@@H]2CCCN(C)C2=O)c1 ZINC000294623464 539844553 /nfs/dbraw/zinc/84/45/53/539844553.db2.gz PHTTWBYDSBMSHY-HNNXBMFYSA-N 0 0 302.374 2.448 10 30 DEEERN C[C@H](C[C@H]1CCCO1)NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000328746468 539910526 /nfs/dbraw/zinc/91/05/26/539910526.db2.gz LGFYYMIYNGTGHL-XABYNWHXSA-N 0 0 304.390 2.106 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000328778466 539910654 /nfs/dbraw/zinc/91/06/54/539910654.db2.gz GFFMYEZPGZSOFD-WMLDXEAASA-N 0 0 302.422 2.473 10 30 DEEERN C[C@]12CCCN1C(=O)N(CCC(=O)NC1CCCCC1)C2=O ZINC000329381677 539919304 /nfs/dbraw/zinc/91/93/04/539919304.db2.gz QKPBYAMTWUWJKM-MRXNPFEDSA-N 0 0 307.394 2.482 10 30 DEEERN COc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000329959720 539932212 /nfs/dbraw/zinc/93/22/12/539932212.db2.gz NLKGUCZYTWMKMI-XUWVNRHRSA-N 0 0 302.374 2.221 10 30 DEEERN Cc1c([C@H]2OCC[C@@H]2C(=O)NC[C@@H]2CCCC[C@H]2O)cnn1C ZINC000330316640 539937759 /nfs/dbraw/zinc/93/77/59/539937759.db2.gz ZMBJPWSEKUWTOR-UGQVUOCMSA-N 0 0 321.421 2.314 10 30 DEEERN C[C@@H](C#N)CN(C)c1ccc(N)cc1I ZINC000085110241 192480821 /nfs/dbraw/zinc/48/08/21/192480821.db2.gz XAOHLXNEEMYYKA-QMMMGPOBSA-N 0 0 315.158 2.469 10 30 DEEERN CCOc1ccc(S(=O)(=O)N/N=C/c2ccccc2O)cc1 ZINC000002654266 180944867 /nfs/dbraw/zinc/94/48/67/180944867.db2.gz HTFUSSUWITZVBZ-LFIBNONCSA-N 0 0 320.370 2.103 10 30 DEEERN C[C@@H](C(=O)Oc1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O ZINC000003372307 181012370 /nfs/dbraw/zinc/01/23/70/181012370.db2.gz XDZNEGPHEKEUGT-NSHDSACASA-N 0 0 320.304 2.148 10 30 DEEERN CC(=O)c1cccc(OCCCC(=O)N2CC(CC#N)C2)c1 ZINC000617896227 363299133 /nfs/dbraw/zinc/29/91/33/363299133.db2.gz NICMEMIRXMIJIJ-UHFFFAOYSA-N 0 0 300.358 2.420 10 30 DEEERN N#Cc1ccc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000032449136 354150023 /nfs/dbraw/zinc/15/00/23/354150023.db2.gz UMAVEOHQTZPKEG-AWEZNQCLSA-N 0 0 307.357 2.203 10 30 DEEERN CO[C@@H](COc1cccc2ccccc21)COS(C)(=O)=O ZINC000034309964 354160982 /nfs/dbraw/zinc/16/09/82/354160982.db2.gz YAEXFWXQZFURRA-ZDUSSCGKSA-N 0 0 310.371 2.210 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000626357893 366161141 /nfs/dbraw/zinc/16/11/41/366161141.db2.gz IINFBPJJAKQCMA-LLVKDONJSA-N 0 0 316.340 2.231 10 30 DEEERN COc1ccc(C#N)cc1NC(=O)N1CCO[C@H]2CCC[C@@H]21 ZINC000050089793 354367180 /nfs/dbraw/zinc/36/71/80/354367180.db2.gz MLIUFWCKXLUOCI-ZFWWWQNUSA-N 0 0 301.346 2.352 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(Br)c(OC)c1 ZINC000626448779 366191124 /nfs/dbraw/zinc/19/11/24/366191124.db2.gz LLXZLVRDFOCWSV-JTQLQIEISA-N 0 0 314.179 2.125 10 30 DEEERN C#CCNC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000054816009 354474986 /nfs/dbraw/zinc/47/49/86/354474986.db2.gz JDVNCXOOCBRURE-LLVKDONJSA-N 0 0 309.163 2.205 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cccc(C(=O)OC)n1 ZINC000058272395 354588766 /nfs/dbraw/zinc/58/87/66/354588766.db2.gz DOBYLLNTABFWHF-UHFFFAOYSA-N 0 0 302.252 2.059 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000063851501 354659259 /nfs/dbraw/zinc/65/92/59/354659259.db2.gz HVKFCBZQXOAMRO-UHFFFAOYSA-N 0 0 314.263 2.208 10 30 DEEERN CN1CCS/C1=N\C(/N=C1\SCCN1C)c1ccncc1 ZINC000060269426 354609695 /nfs/dbraw/zinc/60/96/95/354609695.db2.gz VIELIYZIEXGBOK-YKVSKMSXSA-N 0 0 321.475 2.149 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000618115335 363380001 /nfs/dbraw/zinc/38/00/01/363380001.db2.gz ZERPSQKRZJUBDE-HZPDHXFCSA-N 0 0 305.374 2.287 10 30 DEEERN Cc1nnc(NCc2ccnc(-n3ccnc3)c2)c(C#N)c1C ZINC000068320612 354808068 /nfs/dbraw/zinc/80/80/68/354808068.db2.gz KPBQIPSWJIKRBG-UHFFFAOYSA-N 0 0 305.345 2.158 10 30 DEEERN C#CCCN1CCN(C(=O)c2cc3c(cc2O)CCCC3)CC1 ZINC000068444140 354811841 /nfs/dbraw/zinc/81/18/41/354811841.db2.gz AXICNGPAVAEPPL-UHFFFAOYSA-N 0 0 312.413 2.052 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc(C(N)=O)cc2OC)C1 ZINC000626583059 366232869 /nfs/dbraw/zinc/23/28/69/366232869.db2.gz DTNWLCUWGQGHHQ-LLVKDONJSA-N 0 0 303.362 2.224 10 30 DEEERN C=CCNC(=O)N[C@@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000069718285 354874759 /nfs/dbraw/zinc/87/47/59/354874759.db2.gz YBNJHSYLYXKXNN-GFCCVEGCSA-N 0 0 301.350 2.314 10 30 DEEERN CC(=O)N(C)c1cccc(N[C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000073413838 354958472 /nfs/dbraw/zinc/95/84/72/354958472.db2.gz BZFPTHZNCKYLCZ-KRWDZBQOSA-N 0 0 322.368 2.179 10 30 DEEERN C=CCN(CC=C)C(=O)NCc1nccn1CC(F)(F)F ZINC000076095069 355125391 /nfs/dbraw/zinc/12/53/91/355125391.db2.gz YWCWIRYMFQHINP-UHFFFAOYSA-N 0 0 302.300 2.329 10 30 DEEERN CC(=O)N1CCC[C@H](CNC(=O)NCC2(C#N)CCCCC2)C1 ZINC000595592653 358494456 /nfs/dbraw/zinc/49/44/56/358494456.db2.gz HSIXRCFHCJAVCU-OAHLLOKOSA-N 0 0 320.437 2.018 10 30 DEEERN COCCN(CCO)c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092664376 355644871 /nfs/dbraw/zinc/64/48/71/355644871.db2.gz WCYFCSYOCWFOPH-UHFFFAOYSA-N 0 0 305.765 2.205 10 30 DEEERN CCOC(=O)c1nn(-c2ccc(F)cc2CC=O)cc1OCC ZINC000113240453 355758854 /nfs/dbraw/zinc/75/88/54/355758854.db2.gz RMSJROYGOLVOOV-UHFFFAOYSA-N 0 0 320.320 2.328 10 30 DEEERN Cc1cc2c(ccn2-c2[nH]c(=O)[nH]c(=O)c2C(C)C)c(C#N)c1 ZINC000116313386 355774068 /nfs/dbraw/zinc/77/40/68/355774068.db2.gz LYNMAXKONHXWGL-UHFFFAOYSA-N 0 0 308.341 2.311 10 30 DEEERN C=CCCC[C@H](C)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000179794430 356033278 /nfs/dbraw/zinc/03/32/78/356033278.db2.gz RDFFZIUCSZBQOM-YSVLISHTSA-N 0 0 315.417 2.462 10 30 DEEERN CC(C)COC[C@H](O)CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180612960 356055719 /nfs/dbraw/zinc/05/57/19/356055719.db2.gz HFWYZOFQIKDTJD-MRXNPFEDSA-N 0 0 316.401 2.005 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)NCCCn1ccnn1 ZINC000182474762 356128269 /nfs/dbraw/zinc/12/82/69/356128269.db2.gz WCDBXLKSWMGGMC-UHFFFAOYSA-N 0 0 317.368 2.205 10 30 DEEERN Cc1nn(C)c(C)c1CCCNC(=O)c1sccc1C#N ZINC000182220610 356115803 /nfs/dbraw/zinc/11/58/03/356115803.db2.gz JHMJCQCPEQLUBQ-UHFFFAOYSA-N 0 0 302.403 2.333 10 30 DEEERN C=CCNC(=O)CNC(=O)c1ncoc1-c1ccccc1Cl ZINC000181744718 356094304 /nfs/dbraw/zinc/09/43/04/356094304.db2.gz SPWKLBMWLLHSIH-UHFFFAOYSA-N 0 0 319.748 2.027 10 30 DEEERN C[C@@H](NS(=O)(=O)CC(C)(C)C)c1ccc(C#CCO)cc1 ZINC000080192644 192011001 /nfs/dbraw/zinc/01/10/01/192011001.db2.gz BQJUDCQMYAKRNJ-CYBMUJFWSA-N 0 0 309.431 2.057 10 30 DEEERN CC(C)N(CC#N)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000080214388 192012289 /nfs/dbraw/zinc/01/22/89/192012289.db2.gz XXWKBGVXRGPXBN-UHFFFAOYSA-N 0 0 317.754 2.171 10 30 DEEERN Cc1cc(S(=O)(=O)N(CC#N)C(C)C)cc([N+](=O)[O-])c1C ZINC000080214654 192012834 /nfs/dbraw/zinc/01/28/34/192012834.db2.gz LZBMUCAJLSPYKK-UHFFFAOYSA-N 0 0 311.363 2.134 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)C#N ZINC000182782490 356145973 /nfs/dbraw/zinc/14/59/73/356145973.db2.gz SBLUSEANANPJHQ-GFCCVEGCSA-N 0 0 302.334 2.452 10 30 DEEERN Cc1cc([C@H]2CN(C(=O)NC[C@@H](C)C#N)CCO2)ccc1F ZINC000182834305 356148720 /nfs/dbraw/zinc/14/87/20/356148720.db2.gz XQMVSMCMSIAJSS-XHDPSFHLSA-N 0 0 305.353 2.377 10 30 DEEERN C=CCSCCNC(=O)C[C@@H](NC(C)=O)c1ccccc1 ZINC000194505862 356240292 /nfs/dbraw/zinc/24/02/92/356240292.db2.gz SCAFNGWRXIOPBK-OAHLLOKOSA-N 0 0 306.431 2.289 10 30 DEEERN COc1ccc(NC(=O)c2cc(C#N)cn2C)c([N+](=O)[O-])c1 ZINC000080943339 192204472 /nfs/dbraw/zinc/20/44/72/192204472.db2.gz IZIJMKDNKFCNFP-UHFFFAOYSA-N 0 0 300.274 2.066 10 30 DEEERN C#C[C@H](NN)c1ccc(Br)cc1Br ZINC000236204656 356289184 /nfs/dbraw/zinc/28/91/84/356289184.db2.gz XYOBYXQZFLRJTR-VIFPVBQESA-N 0 0 303.985 2.349 10 30 DEEERN CCCNc1ncc(S(=O)(=O)N(C)CCC#N)cc1Cl ZINC000081679526 192311403 /nfs/dbraw/zinc/31/14/03/192311403.db2.gz YXHSCPBPGDVIMP-UHFFFAOYSA-N 0 0 316.814 2.091 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000618515799 363514002 /nfs/dbraw/zinc/51/40/02/363514002.db2.gz ZMNTZLZTRZNIFG-UHFFFAOYSA-N 0 0 318.295 2.345 10 30 DEEERN C=CCOCCCNC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000618522326 363514634 /nfs/dbraw/zinc/51/46/34/363514634.db2.gz CRMYECYAPNEFCE-UHFFFAOYSA-N 0 0 320.364 2.253 10 30 DEEERN C=CCOCCCNC(=O)C1(c2ccccc2)CCOCC1 ZINC000618520413 363514897 /nfs/dbraw/zinc/51/48/97/363514897.db2.gz CVOWFRZBVPLGBU-UHFFFAOYSA-N 0 0 303.402 2.444 10 30 DEEERN C=CCOCCCNC(=O)c1c(C)onc1-c1ccncc1 ZINC000618525855 363515802 /nfs/dbraw/zinc/51/58/02/363515802.db2.gz IPBQAAMEGRLKAP-UHFFFAOYSA-N 0 0 301.346 2.368 10 30 DEEERN C=CCOCCCNC(=O)c1cnc2c(C)cc(F)cc2c1O ZINC000618523899 363515993 /nfs/dbraw/zinc/51/59/93/363515993.db2.gz UZVKLULHUPJKAY-UHFFFAOYSA-N 0 0 318.348 2.298 10 30 DEEERN C=CCCSCCNC(=O)NCc1c2c(nn1C)CCCC2 ZINC000595635427 358508466 /nfs/dbraw/zinc/50/84/66/358508466.db2.gz UWJCLVCZKHCJBG-UHFFFAOYSA-N 0 0 322.478 2.407 10 30 DEEERN C=CCNC(=O)Cc1noc(-c2ccc(C(C)(C)C)cn2)n1 ZINC000351323646 356653575 /nfs/dbraw/zinc/65/35/75/356653575.db2.gz IIMXLXAGYIAVEC-UHFFFAOYSA-N 0 0 300.362 2.274 10 30 DEEERN N#Cc1cc(C(F)(F)F)c(C(F)(F)F)c(S(N)(=O)=O)c1 ZINC000514281161 356741779 /nfs/dbraw/zinc/74/17/79/356741779.db2.gz VDPACCHKNHTNHX-UHFFFAOYSA-N 0 0 318.198 2.243 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000581662524 357225796 /nfs/dbraw/zinc/22/57/96/357225796.db2.gz MTSAHBWPOGUZEU-ZLDLUXBVSA-N 0 0 304.346 2.406 10 30 DEEERN COC(=O)/C(=C/S(=O)(=O)OC(C)C)c1ccc(F)cc1F ZINC000584643640 357290633 /nfs/dbraw/zinc/29/06/33/357290633.db2.gz SIVQPLBMUPRZQC-YRNVUSSQSA-N 0 0 320.313 2.234 10 30 DEEERN CC[C@@]1(C2CC2)NC(=O)N(Cc2ccc(F)c(C#N)c2)C1=O ZINC000581831775 357252287 /nfs/dbraw/zinc/25/22/87/357252287.db2.gz DTMHDWYIDYRIMF-INIZCTEOSA-N 0 0 301.321 2.308 10 30 DEEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CC(C)(C)Cc2ccccc21 ZINC000590006471 357512098 /nfs/dbraw/zinc/51/20/98/357512098.db2.gz FUMSKIKBUZXNSY-CYBMUJFWSA-N 0 0 315.417 2.476 10 30 DEEERN Cc1ccc2ncc(C#N)c(N[C@@H]3CC(=O)N([C@H]4C[C@H]4C)C3)c2c1 ZINC000589863871 357501895 /nfs/dbraw/zinc/50/18/95/357501895.db2.gz JTQLKWDKJZBQRN-MRRJBJDNSA-N 0 0 320.396 2.258 10 30 DEEERN Cn1cc(CNC(=O)c2cc(C#N)cs2)c(C(F)(F)F)n1 ZINC000178643640 198903444 /nfs/dbraw/zinc/90/34/44/198903444.db2.gz FZAZCWKLENHMLQ-UHFFFAOYSA-N 0 0 314.292 2.302 10 30 DEEERN C=CCCOCC(=O)N1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000592817127 357950594 /nfs/dbraw/zinc/95/05/94/357950594.db2.gz QPUXNPRDVJADHC-KBPBESRZSA-N 0 0 311.422 2.405 10 30 DEEERN CCOC(=O)[C@@H](CC)/C(C)=N/n1c(C)cc(C)c(C#N)c1=O ZINC000005907152 181294924 /nfs/dbraw/zinc/29/49/24/181294924.db2.gz UIZBGDCAIBFOOE-HTMJNSLASA-N 0 0 303.362 2.150 10 30 DEEERN C=CCC[C@H](NC(=O)c1ncccc1SC)C(=O)OCC ZINC000593739262 358134485 /nfs/dbraw/zinc/13/44/85/358134485.db2.gz XMEZADNEUKFSTI-NSHDSACASA-N 0 0 308.403 2.431 10 30 DEEERN COC(=O)C1CCC(C(=O)Nc2nn(C(C)C)cc2C#N)CC1 ZINC000180232451 199134349 /nfs/dbraw/zinc/13/43/49/199134349.db2.gz REBCYCAQRZYFQA-UHFFFAOYSA-N 0 0 318.377 2.254 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1 ZINC000185211236 199824908 /nfs/dbraw/zinc/82/49/08/199824908.db2.gz XPZGAVDMKWQADM-CQSZACIVSA-N 0 0 319.405 2.192 10 30 DEEERN C=CCCn1cc(C[S@@](=O)Cc2ccc(C#N)c(F)c2)nn1 ZINC000593938578 358174791 /nfs/dbraw/zinc/17/47/91/358174791.db2.gz NGOMGNMGFANJTQ-QFIPXVFZSA-N 0 0 318.377 2.314 10 30 DEEERN C=CCCn1cc(C[S@](=O)Cc2noc(CCCC)n2)nn1 ZINC000593937310 358175057 /nfs/dbraw/zinc/17/50/57/358175057.db2.gz NYKZJDDFKBIUNT-QFIPXVFZSA-N 0 0 323.422 2.029 10 30 DEEERN C=CCCn1cc(C[S@](=O)CCc2ccc(OC)cc2)nn1 ZINC000593938168 358175132 /nfs/dbraw/zinc/17/51/32/358175132.db2.gz HQJCZTGIYRJFNS-JOCHJYFZSA-N 0 0 319.430 2.354 10 30 DEEERN C=CCCn1cc(CSCc2nc([C@H](C)OC)no2)nn1 ZINC000594557635 358294134 /nfs/dbraw/zinc/29/41/34/358294134.db2.gz PEZYGBVLQAMWKD-JTQLQIEISA-N 0 0 309.395 2.378 10 30 DEEERN C=CCCSCCNS(=O)(=O)c1nc(C)c(C)s1 ZINC000594814666 358342469 /nfs/dbraw/zinc/34/24/69/358342469.db2.gz DJDYSNCYWQOSLI-UHFFFAOYSA-N 0 0 306.478 2.348 10 30 DEEERN C=CCOCCCNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000594850497 358348423 /nfs/dbraw/zinc/34/84/23/358348423.db2.gz QFLRBMXNOGLGQC-UHFFFAOYSA-N 0 0 314.794 2.083 10 30 DEEERN CC(=O)N1CCC(Nc2cc(C)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000596062945 358601741 /nfs/dbraw/zinc/60/17/41/358601741.db2.gz PJOAJSNWQIZOPK-UHFFFAOYSA-N 0 0 302.334 2.198 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000181198206 199264504 /nfs/dbraw/zinc/26/45/04/199264504.db2.gz IQBYPWFTHYPRSB-SWLSCSKDSA-N 0 0 301.390 2.226 10 30 DEEERN CN1C[C@H](CNc2ccc(C#N)cc2Br)CC1=O ZINC000596491106 358698196 /nfs/dbraw/zinc/69/81/96/358698196.db2.gz OUMLGSLQASKUFN-JTQLQIEISA-N 0 0 308.179 2.211 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1nnn(C(C)(C)C)n1 ZINC000596974286 358797754 /nfs/dbraw/zinc/79/77/54/358797754.db2.gz RRYPOJAHWMZNPF-UHFFFAOYSA-N 0 0 324.388 2.128 10 30 DEEERN C=CCOC[C@@H](N[C@H](C)c1cc2cnccc2o1)C(=O)OC ZINC000597116856 358828202 /nfs/dbraw/zinc/82/82/02/358828202.db2.gz KAZBJVKSHABEAX-DGCLKSJQSA-N 0 0 304.346 2.223 10 30 DEEERN C=CCCC1(CNC(=O)C(=O)NC[C@H](C)SC)CCCC1 ZINC000597297097 358881937 /nfs/dbraw/zinc/88/19/37/358881937.db2.gz BHJRUFLZZRFBFP-ZDUSSCGKSA-N 0 0 312.479 2.497 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C1(C(=O)OC)CC2(CCC2)C1 ZINC000597608174 358962148 /nfs/dbraw/zinc/96/21/48/358962148.db2.gz ACGQHYAHZZWTPQ-KBPBESRZSA-N 0 0 321.417 2.207 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000597473985 358927461 /nfs/dbraw/zinc/92/74/61/358927461.db2.gz ITBHNOYSWKPHIH-FZMZJTMJSA-N 0 0 319.361 2.243 10 30 DEEERN C=CCOCCNC(=O)C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000627462262 366528642 /nfs/dbraw/zinc/52/86/42/366528642.db2.gz OHCOOAOOMLJQEF-ZDUSSCGKSA-N 0 0 304.390 2.457 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000597864130 359027597 /nfs/dbraw/zinc/02/75/97/359027597.db2.gz LALGWVPETMUPQU-GXTWGEPZSA-N 0 0 306.366 2.433 10 30 DEEERN C=CCC[C@@H](NC(=O)c1ncnc2sccc21)C(=O)OCC ZINC000597733113 358993149 /nfs/dbraw/zinc/99/31/49/358993149.db2.gz QEIKTAMKCJTTBW-LLVKDONJSA-N 0 0 319.386 2.319 10 30 DEEERN C=CCOCCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000598208282 359122907 /nfs/dbraw/zinc/12/29/07/359122907.db2.gz LIPUGDPBVQEABH-UHFFFAOYSA-N 0 0 303.318 2.399 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000598149364 359108204 /nfs/dbraw/zinc/10/82/04/359108204.db2.gz PNCUPIFVHCWLJK-JEBQAFNWSA-N 0 0 323.433 2.405 10 30 DEEERN C=CCCSCCNC(=O)[C@@H]1CCCN1CC(F)(F)F ZINC000597969974 359054156 /nfs/dbraw/zinc/05/41/56/359054156.db2.gz JCXLWVULYSSSKA-NSHDSACASA-N 0 0 310.385 2.439 10 30 DEEERN C=CCCSCCNC(=O)[C@H]1CCc2nnc(C3CC3)n2C1 ZINC000597970050 359055078 /nfs/dbraw/zinc/05/50/78/359055078.db2.gz LRPDPFJRDQJBRW-ZDUSSCGKSA-N 0 0 320.462 2.143 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(OC)C(=O)OC(C)(C)C ZINC000598421934 359194606 /nfs/dbraw/zinc/19/46/06/359194606.db2.gz PMHDXMBSLMPHTN-IIYDPXPESA-N 0 0 309.406 2.443 10 30 DEEERN C=C[C@](C)(O)C(=O)Nc1nc(C2CCCC2)c(C(=O)OC)s1 ZINC000598694661 359295117 /nfs/dbraw/zinc/29/51/17/359295117.db2.gz IUQNZNSGQMENKD-HNNXBMFYSA-N 0 0 324.402 2.463 10 30 DEEERN CC(=O)N1CCc2c(C#N)c(NC(=O)[C@H]3CC34CC4)sc2C1 ZINC000598889688 359351779 /nfs/dbraw/zinc/35/17/79/359351779.db2.gz AGCUMYIWLJTUTG-GFCCVEGCSA-N 0 0 315.398 2.263 10 30 DEEERN CCN(CC(F)F)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000186441808 199957117 /nfs/dbraw/zinc/95/71/17/199957117.db2.gz JJJJKFDXZMSIRZ-UHFFFAOYSA-N 0 0 310.272 2.112 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000599075135 359398144 /nfs/dbraw/zinc/39/81/44/359398144.db2.gz YDSOKSFJYRGIPI-SJORKVTESA-N 0 0 311.385 2.164 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)OC ZINC000599360669 359476786 /nfs/dbraw/zinc/47/67/86/359476786.db2.gz ONPVGALAIPRTRJ-STQMWFEESA-N 0 0 317.451 2.240 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000599374960 359482725 /nfs/dbraw/zinc/48/27/25/359482725.db2.gz ORGKCYCXGUIFGQ-JTQLQIEISA-N 0 0 314.338 2.321 10 30 DEEERN C=C[C@H](C(=O)OC)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000599658373 359560734 /nfs/dbraw/zinc/56/07/34/359560734.db2.gz BCVPJBRJGLOVFJ-QGZVFWFLSA-N 0 0 313.401 2.013 10 30 DEEERN COCCCCS(=O)(=O)Oc1ccc(C#N)c(Cl)c1 ZINC000187165358 200070443 /nfs/dbraw/zinc/07/04/43/200070443.db2.gz MQPWIZRZXALQML-UHFFFAOYSA-N 0 0 303.767 2.347 10 30 DEEERN CC(C)[C@H]1C[C@H]1C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000187728626 200150241 /nfs/dbraw/zinc/15/02/41/200150241.db2.gz WLIWANDMMWLBBV-HUUCEWRRSA-N 0 0 309.373 2.429 10 30 DEEERN O=C1C(=O)N(C2CCCCC2)C(=O)N1CC#Cc1ccccc1 ZINC000187861144 200168266 /nfs/dbraw/zinc/16/82/66/200168266.db2.gz BWJNUXWVDAWUNS-UHFFFAOYSA-N 0 0 310.353 2.162 10 30 DEEERN C=CCCOCC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 ZINC000600478533 359750492 /nfs/dbraw/zinc/75/04/92/359750492.db2.gz VGESCMWMAXNHFX-UHFFFAOYSA-N 0 0 314.385 2.273 10 30 DEEERN C#CCOc1ccccc1NC(=O)N1CCC([C@@H](C)O)CC1 ZINC000188106724 200195264 /nfs/dbraw/zinc/19/52/64/200195264.db2.gz YJGRYRFZFJUAAZ-CYBMUJFWSA-N 0 0 302.374 2.323 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1cc(C)n([C@@H]2CCOC2)c1C ZINC000627679510 366589536 /nfs/dbraw/zinc/58/95/36/366589536.db2.gz NHNAGYAJFATOIM-HUUCEWRRSA-N 0 0 306.406 2.123 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(OCC)c(C)n1 ZINC000627685724 366591506 /nfs/dbraw/zinc/59/15/06/366591506.db2.gz DFCKNGNFFSEEMO-UHFFFAOYSA-N 0 0 319.405 2.446 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N[C@H]1C[C@H](O)C12CCC2 ZINC000619072923 363694089 /nfs/dbraw/zinc/69/40/89/363694089.db2.gz DOIDWSHKFSDEAR-HOTGVXAUSA-N 0 0 317.385 2.293 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000188717280 200293010 /nfs/dbraw/zinc/29/30/10/200293010.db2.gz RXXHHXRLWJJJFS-QGZVFWFLSA-N 0 0 314.389 2.112 10 30 DEEERN C=CCn1c(SCCN(C#N)CC)nnc1-c1ccccn1 ZINC000601080978 359915083 /nfs/dbraw/zinc/91/50/83/359915083.db2.gz RGYLAMSQNWUNSM-UHFFFAOYSA-N 0 0 314.418 2.421 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cncc(Cl)c2C)C1 ZINC000627733023 366603317 /nfs/dbraw/zinc/60/33/17/366603317.db2.gz JKZMRKJPTMXGQP-LLVKDONJSA-N 0 0 307.781 2.407 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C)Oc3ccccc32)C1 ZINC000627734860 366604352 /nfs/dbraw/zinc/60/43/52/366604352.db2.gz FEKZBKWPHKXPNE-UONOGXRCSA-N 0 0 314.385 2.225 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cnn([C@H](C)C3CC3)c2)C1 ZINC000627734558 366604673 /nfs/dbraw/zinc/60/46/73/366604673.db2.gz WSJHABHIDHYOLC-OLZOCXBDSA-N 0 0 316.405 2.217 10 30 DEEERN C=C(C)C[C@@H](NS(=O)(=O)c1ccc(C(F)F)o1)C(=O)OC ZINC000601501394 360055570 /nfs/dbraw/zinc/05/55/70/360055570.db2.gz NIUPYEWSNVOZPW-MRVPVSSYSA-N 0 0 323.317 2.003 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1 ZINC000601664581 360104849 /nfs/dbraw/zinc/10/48/49/360104849.db2.gz NQTUQKFDGXWFJG-XLWJZTARSA-N 0 0 309.406 2.204 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(OC(C)C)cn1)C(=O)OC ZINC000601780343 360144494 /nfs/dbraw/zinc/14/44/94/360144494.db2.gz BHGABFWYILIPFK-AWEZNQCLSA-N 0 0 306.362 2.106 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCOc1ccc(F)cc1)C(=O)OC ZINC000601779051 360144592 /nfs/dbraw/zinc/14/45/92/360144592.db2.gz RFRGAOOXJSQRMY-AWEZNQCLSA-N 0 0 309.337 2.219 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(OC)c(OC)cc1C)C(=O)OC ZINC000601782407 360146746 /nfs/dbraw/zinc/14/67/46/360146746.db2.gz OSAMCJOJDHCRDB-CYBMUJFWSA-N 0 0 321.373 2.250 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cccc2c1O[C@H](C)C2)C(=O)OC ZINC000601785722 360148490 /nfs/dbraw/zinc/14/84/90/360148490.db2.gz UBLSMVFSLMDEDH-RISCZKNCSA-N 0 0 303.358 2.248 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)C(=O)OC ZINC000601787236 360149574 /nfs/dbraw/zinc/14/95/74/360149574.db2.gz LEBXOYKIWGWDBN-QWRGUYRKSA-N 0 0 324.402 2.232 10 30 DEEERN C=C(C)C[C@H](NC(=O)C[C@H]1CCO[C@H](C(C)C)C1)C(=O)OC ZINC000601786209 360149768 /nfs/dbraw/zinc/14/97/68/360149768.db2.gz GHVMBDOZWNSFRF-KKUMJFAQSA-N 0 0 311.422 2.452 10 30 DEEERN C=C1CC(C)(C(=O)NCC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000601734152 360128645 /nfs/dbraw/zinc/12/86/45/360128645.db2.gz FLODDPLABAGHTB-UHFFFAOYSA-N 0 0 318.329 2.259 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C1(C(=O)OCC)CCOCC1 ZINC000601744122 360130420 /nfs/dbraw/zinc/13/04/20/360130420.db2.gz IMPLDFBWXGSTPE-UHFFFAOYSA-N 0 0 311.422 2.455 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000189333737 200384131 /nfs/dbraw/zinc/38/41/31/200384131.db2.gz ZTTGRBAGHSERSY-LRDDRELGSA-N 0 0 306.410 2.020 10 30 DEEERN C=C(C)Cn1c(-c2ncccn2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC000601873267 360179844 /nfs/dbraw/zinc/17/98/44/360179844.db2.gz CJXFZIBIZBGMMF-KGLIPLIRSA-N 0 0 323.404 2.440 10 30 DEEERN C=C(C)C[C@@H](NCc1ccc(N2CCCC2)nc1)C(=O)OC ZINC000602732955 360524337 /nfs/dbraw/zinc/52/43/37/360524337.db2.gz FHFHSDGOGNVUPS-OAHLLOKOSA-N 0 0 303.406 2.279 10 30 DEEERN COCCCOCCN(C)C(=O)NCC1CCC(C#N)CC1 ZINC000442732417 238069345 /nfs/dbraw/zinc/06/93/45/238069345.db2.gz YGUUYEKOZWKASB-UHFFFAOYSA-N 0 0 311.426 2.011 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1c(C(=O)OC)cnn1C ZINC000603017246 360669422 /nfs/dbraw/zinc/66/94/22/360669422.db2.gz JZKXLLYXVAHKCD-AAEUAGOBSA-N 0 0 320.393 2.463 10 30 DEEERN CCOc1ccc(S(=O)(=O)N/N=C/c2cccs2)cc1 ZINC000006155709 181316657 /nfs/dbraw/zinc/31/66/57/181316657.db2.gz IGLPUDFZZVXKOO-GXDHUFHOSA-N 0 0 310.400 2.459 10 30 DEEERN Cc1cc(CN(C)C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)no1 ZINC000609101295 361278384 /nfs/dbraw/zinc/27/83/84/361278384.db2.gz LTBGQFQBRQHNJN-KRWDZBQOSA-N 0 0 324.384 2.482 10 30 DEEERN Cn1ncc2c1nc(CSCc1ccc(C#N)cc1)[nH]c2=O ZINC000609222950 361290066 /nfs/dbraw/zinc/29/00/66/361290066.db2.gz OCYAZRXMZVMNBK-UHFFFAOYSA-N 0 0 311.370 2.374 10 30 DEEERN COc1c(C)cnc(CN(C)C(=O)c2ccnc(C#N)c2)c1C ZINC000193006720 200975680 /nfs/dbraw/zinc/97/56/80/200975680.db2.gz RMSCVTFYNPRLDR-UHFFFAOYSA-N 0 0 310.357 2.246 10 30 DEEERN CCC[C@@H](C#N)NC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 ZINC000608814785 361267604 /nfs/dbraw/zinc/26/76/04/361267604.db2.gz HPGQNSZZYVHUPH-ZDUSSCGKSA-N 0 0 316.361 2.025 10 30 DEEERN C=C[C@H](CO)NC(=O)c1cc(C)cc(Br)c1F ZINC000628148972 366740036 /nfs/dbraw/zinc/74/00/36/366740036.db2.gz HRIRBCYRVJFBCL-MRVPVSSYSA-N 0 0 302.143 2.173 10 30 DEEERN N#Cc1ccc(CNC(=O)N[C@@H](CO)CC2CCC2)c(F)c1 ZINC000619427090 363790710 /nfs/dbraw/zinc/79/07/10/363790710.db2.gz XUUHTEZTKNETDG-CQSZACIVSA-N 0 0 305.353 2.048 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H](C)c1ccncc1 ZINC000610518545 361414879 /nfs/dbraw/zinc/41/48/79/361414879.db2.gz ZUAKYPFDYIKHSJ-ZDUSSCGKSA-N 0 0 315.398 2.344 10 30 DEEERN C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1F)c1ccncc1 ZINC000610518338 361414981 /nfs/dbraw/zinc/41/49/81/361414981.db2.gz AMLMWBGXAGVLFM-LLVKDONJSA-N 0 0 319.361 2.174 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000628317517 366807732 /nfs/dbraw/zinc/80/77/32/366807732.db2.gz NBNVLVVHXSYQEN-CQSZACIVSA-N 0 0 315.417 2.149 10 30 DEEERN C=CCOc1c(Cl)cc(CN2CC(C)(C(N)=O)C2)cc1OC ZINC000628321550 366810538 /nfs/dbraw/zinc/81/05/38/366810538.db2.gz OKXSGUIOSZVOFZ-UHFFFAOYSA-N 0 0 324.808 2.221 10 30 DEEERN C[C@@H]1CN(C(=O)Cc2cccc(C#N)c2)C[C@H](C(F)(F)F)O1 ZINC000610522792 361416134 /nfs/dbraw/zinc/41/61/34/361416134.db2.gz PBROEGSGAWTFMG-ZWNOBZJWSA-N 0 0 312.291 2.279 10 30 DEEERN Cc1ccn(C)c(=O)c1NC(=O)NCc1ccc(C#N)cc1F ZINC000610718210 361452445 /nfs/dbraw/zinc/45/24/45/361452445.db2.gz XBJHXZCDAWGRPA-UHFFFAOYSA-N 0 0 314.320 2.026 10 30 DEEERN C=C(C)[C@H](CO)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000611237340 361556278 /nfs/dbraw/zinc/55/62/78/361556278.db2.gz HLERGOLBZIAQAN-SFHVURJKSA-N 0 0 322.412 2.165 10 30 DEEERN Cc1nn(C)c(C)c1NC(=O)N(CCC#N)Cc1ccccn1 ZINC000611326773 361579683 /nfs/dbraw/zinc/57/96/83/361579683.db2.gz RCAOWRHEIKVAIT-UHFFFAOYSA-N 0 0 312.377 2.380 10 30 DEEERN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2ccnc(C#N)c2)C1 ZINC000194353953 201209037 /nfs/dbraw/zinc/20/90/37/201209037.db2.gz VWONEKGTZLVUAV-KRWDZBQOSA-N 0 0 315.373 2.005 10 30 DEEERN COC(=O)[C@@H]1CCCCCN1C(=O)Cc1cccc(C#N)c1 ZINC000611572097 361636419 /nfs/dbraw/zinc/63/64/19/361636419.db2.gz YXMCLZQEOGWEMG-HNNXBMFYSA-N 0 0 300.358 2.045 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC1(COC)CCC1 ZINC000611720155 361667012 /nfs/dbraw/zinc/66/70/12/361667012.db2.gz GQISWXZDFYRPHD-HUUCEWRRSA-N 0 0 322.449 2.170 10 30 DEEERN C[C@H](C(=O)NC1(c2ccc(F)cc2)CCC1)n1cnc(C#N)n1 ZINC000619588714 363835748 /nfs/dbraw/zinc/83/57/48/363835748.db2.gz LMTCBMZEVCESOW-LLVKDONJSA-N 0 0 313.336 2.045 10 30 DEEERN C=C[C@@H](NCc1ccc(C)cc1OC[C@@H]1CCOC1)C(=O)OC ZINC000619702226 363859949 /nfs/dbraw/zinc/85/99/49/363859949.db2.gz KCSQKMXGNVNVLY-GDBMZVCRSA-N 0 0 319.401 2.228 10 30 DEEERN C=C[C@@H](NCc1cccc(COC2CCOCC2)c1)C(=O)OC ZINC000619701620 363860232 /nfs/dbraw/zinc/86/02/32/363860232.db2.gz OWPDVAAZZAKUEQ-QGZVFWFLSA-N 0 0 319.401 2.199 10 30 DEEERN CC(C)[C@@H]1c2ccccc2CCN1C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000619596923 363836609 /nfs/dbraw/zinc/83/66/09/363836609.db2.gz KCTUTQWSGSMJKW-CXAGYDPISA-N 0 0 323.400 2.493 10 30 DEEERN CC(C)C[C@H](C#N)NC(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000619795535 363877878 /nfs/dbraw/zinc/87/78/78/363877878.db2.gz UOEHALAQTDNBDP-LLVKDONJSA-N 0 0 318.377 2.100 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000619968677 363921793 /nfs/dbraw/zinc/92/17/93/363921793.db2.gz BHZLQZLLBSUODP-ARFHVFGLSA-N 0 0 306.450 2.348 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCNC(=O)Cc1ccccc1 ZINC000620314072 364014297 /nfs/dbraw/zinc/01/42/97/364014297.db2.gz RHAFRAGCAFXYLQ-CALCHBBNSA-N 0 0 312.413 2.445 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C1(n2cnnn2)CCCCC1 ZINC000620301717 364012760 /nfs/dbraw/zinc/01/27/60/364012760.db2.gz TXZMNWLKSKFXHT-OKILXGFUSA-N 0 0 301.394 2.042 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cccc(OC)c1C ZINC000620757600 364142526 /nfs/dbraw/zinc/14/25/26/364142526.db2.gz WSUHVFQZAQVDFM-HNNXBMFYSA-N 0 0 304.390 2.091 10 30 DEEERN C=CCc1ccc(OCC(=O)Nc2nn(C)cc2C)c(OC)c1 ZINC000620918160 364201154 /nfs/dbraw/zinc/20/11/54/364201154.db2.gz DNYOIHWWPVZKIO-UHFFFAOYSA-N 0 0 315.373 2.483 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621518123 364434766 /nfs/dbraw/zinc/43/47/66/364434766.db2.gz ROQWMGIHGMMXRT-HIFRSBDPSA-N 0 0 322.430 2.310 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CCn2cnc3ccccc3c2=O)C1 ZINC000628484698 366863723 /nfs/dbraw/zinc/86/37/23/366863723.db2.gz SQOCOKUWQPWLQC-AWEZNQCLSA-N 0 0 311.385 2.211 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)CC)cc2)C1 ZINC000628487703 366865024 /nfs/dbraw/zinc/86/50/24/366865024.db2.gz KRGUCQZHWVMMCQ-HNNXBMFYSA-N 0 0 321.442 2.447 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000628487992 366865449 /nfs/dbraw/zinc/86/54/49/366865449.db2.gz PKCNTRVCIJSQBL-CYBMUJFWSA-N 0 0 322.430 2.025 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CC2(Cn3cnnn3)CCCCC2)C1 ZINC000628493272 366866673 /nfs/dbraw/zinc/86/66/73/366866673.db2.gz MPHLSVOOXCFYMJ-OAHLLOKOSA-N 0 0 317.437 2.438 10 30 DEEERN C=CCCn1cc(CS(=O)(=O)C[C@@H]2CC[C@H]3C[C@H]3C2)nn1 ZINC000621995842 364625754 /nfs/dbraw/zinc/62/57/54/364625754.db2.gz IXOPDPPBTFZSPL-HZSPNIEDSA-N 0 0 309.435 2.205 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(O)cc(C(F)(F)F)c1 ZINC000622089191 364659342 /nfs/dbraw/zinc/65/93/42/364659342.db2.gz LHQGUPAPLKMSCD-NEPJUHHUSA-N 0 0 301.264 2.484 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(N(C)C)cc1C ZINC000622783171 364796418 /nfs/dbraw/zinc/79/64/18/364796418.db2.gz GCBJSWGUCYJRDG-MRXNPFEDSA-N 0 0 303.406 2.470 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000623481042 365045419 /nfs/dbraw/zinc/04/54/19/365045419.db2.gz RGAWFGGRJHYYRP-LSDHHAIUSA-N 0 0 315.421 2.053 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000623481040 365045514 /nfs/dbraw/zinc/04/55/14/365045514.db2.gz RGAWFGGRJHYYRP-GJZGRUSLSA-N 0 0 315.421 2.053 10 30 DEEERN C=CCOc1ccccc1CNC(=O)NC[C@H]1C[C@@H](OC)C1 ZINC000623598254 365094414 /nfs/dbraw/zinc/09/44/14/365094414.db2.gz WQSBGIAVBUBKEN-OTVXOJSOSA-N 0 0 304.390 2.476 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000623800488 365177726 /nfs/dbraw/zinc/17/77/26/365177726.db2.gz LZHBSYWLKVZMJC-CABCVRRESA-N 0 0 300.406 2.268 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NC2CCN(c3cc(C)[nH]n3)CC2)C1 ZINC000623919218 365219403 /nfs/dbraw/zinc/21/94/03/365219403.db2.gz SCCZHXDLFYEHGX-CQSZACIVSA-N 0 0 317.437 2.295 10 30 DEEERN C=C(C)[C@@H](NC(=O)N[C@H]1C[C@H](C(N)=O)C1)c1ccc(F)c(F)c1 ZINC000623901835 365214868 /nfs/dbraw/zinc/21/48/68/365214868.db2.gz TXCSQEGDMLSQKO-JTNHKYCSSA-N 0 0 323.343 2.145 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCCCCCS(C)(=O)=O ZINC000623906012 365216216 /nfs/dbraw/zinc/21/62/16/365216216.db2.gz NOXISLSZHSGIOF-UHFFFAOYSA-N 0 0 304.456 2.103 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2c3c(nn2C)CCCC3)C1 ZINC000624095384 365286645 /nfs/dbraw/zinc/28/66/45/365286645.db2.gz BPVHIVOBFFSVKW-CYBMUJFWSA-N 0 0 302.422 2.407 10 30 DEEERN C=CCCOCC(=O)NCCc1cccc2c1OC(F)(F)O2 ZINC000628583885 366887229 /nfs/dbraw/zinc/88/72/29/366887229.db2.gz SIRVZCGCTAWTSW-UHFFFAOYSA-N 0 0 313.300 2.260 10 30 DEEERN C=CCCNC(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000624345812 365390652 /nfs/dbraw/zinc/39/06/52/365390652.db2.gz WKVBLJXPNUUOBY-HNNXBMFYSA-N 0 0 323.824 2.421 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C ZINC000624463714 365430002 /nfs/dbraw/zinc/43/00/02/365430002.db2.gz UTZRISHCIXRBGG-QWHCGFSZSA-N 0 0 300.443 2.046 10 30 DEEERN C=CCC(C)(C)c1noc(-c2ccnc(N3CCOCC3)n2)n1 ZINC000624633661 365498396 /nfs/dbraw/zinc/49/83/96/365498396.db2.gz ZWIQUPZXQFMNOW-UHFFFAOYSA-N 0 0 315.377 2.217 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000449878114 241200782 /nfs/dbraw/zinc/20/07/82/241200782.db2.gz WHLJEKRYSBDNHY-GWCFXTLKSA-N 0 0 301.296 2.461 10 30 DEEERN C=CCC[C@@H](C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1)c1ccccc1 ZINC000629206009 367119548 /nfs/dbraw/zinc/11/95/48/367119548.db2.gz FZNZLSBESFFIDJ-OWCLPIDISA-N 0 0 300.402 2.459 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](c2ccc(O)cc2)C1 ZINC000629654124 367286754 /nfs/dbraw/zinc/28/67/54/367286754.db2.gz BKGRNDUUSRTRLP-DOTOQJQBSA-N 0 0 316.401 2.179 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000629717967 367313015 /nfs/dbraw/zinc/31/30/15/367313015.db2.gz MXLJMLZZUVMTIQ-GUYCJALGSA-N 0 0 307.365 2.477 10 30 DEEERN C=CCCOCCCCC(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000629926624 367381594 /nfs/dbraw/zinc/38/15/94/367381594.db2.gz UWRNHJKVPZLNFG-OAHLLOKOSA-N 0 0 308.422 2.019 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cc(OC)cc(OC)c2C)C1=O ZINC000630520212 367703135 /nfs/dbraw/zinc/70/31/35/367703135.db2.gz XKRZIIHRUWHRLF-LBPRGKRZSA-N 0 0 304.346 2.403 10 30 DEEERN C=CCOc1cccc(N2C(=O)N3C[C@@H](OC)C[C@]3(C)C2=O)c1 ZINC000630504520 367694907 /nfs/dbraw/zinc/69/49/07/367694907.db2.gz JSEPGAVYAGIJPQ-WMLDXEAASA-N 0 0 316.357 2.197 10 30 DEEERN C=CCOc1cccc(NC(=O)C2(N3CCOCC3)CC2)c1 ZINC000630816132 367861073 /nfs/dbraw/zinc/86/10/73/367861073.db2.gz OMSTZRZVUFTASE-UHFFFAOYSA-N 0 0 302.374 2.055 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@@H](C)Oc2ccc(OC)cc2)C1=O ZINC000630970473 367942589 /nfs/dbraw/zinc/94/25/89/367942589.db2.gz MXEPFLWSOZJVTB-IUODEOHRSA-N 0 0 318.373 2.349 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H](C)c2nc(C(C)(C)C)no2)C1=O ZINC000630978632 367947769 /nfs/dbraw/zinc/94/77/69/367947769.db2.gz JBEBFHOTKLTYGU-VHSXEESVSA-N 0 0 306.366 2.315 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CC(=O)Nc2cccc(CC)c2)C1=O ZINC000630980461 367948521 /nfs/dbraw/zinc/94/85/21/367948521.db2.gz AXDWUNQBTOSGQP-CQSZACIVSA-N 0 0 315.373 2.074 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C2CCC(OC(F)F)CC2)C1=O ZINC000630983684 367949367 /nfs/dbraw/zinc/94/93/67/367949367.db2.gz QQXFCTGGBKLHAL-VQXHTEKXSA-N 0 0 302.321 2.423 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2Cc3ccccc3[C@@H]2OC)C1=O ZINC000630984650 367950467 /nfs/dbraw/zinc/95/04/67/367950467.db2.gz HCPNVECRDZQUHO-ZNMIVQPWSA-N 0 0 300.358 2.185 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(Cc2cccc3c2CCOC3)C1=O ZINC000630993626 367957283 /nfs/dbraw/zinc/95/72/83/367957283.db2.gz NNIVBZOIHFAFDY-HNNXBMFYSA-N 0 0 300.358 2.146 10 30 DEEERN C=C1CC(C)(C(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)C1 ZINC000631321913 368146005 /nfs/dbraw/zinc/14/60/05/368146005.db2.gz VOAWBYFJHIECAX-UHFFFAOYSA-N 0 0 312.413 2.388 10 30 DEEERN C=C1CC(C)(C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)C1 ZINC000631725242 368359683 /nfs/dbraw/zinc/35/96/83/368359683.db2.gz QJIVOLYECJQDHV-UHFFFAOYSA-N 0 0 314.385 2.033 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NCc1noc(-c2ccc(OC)cc2)n1 ZINC000451602997 243188273 /nfs/dbraw/zinc/18/82/73/243188273.db2.gz YCPJFSALZPNGHQ-KGLIPLIRSA-N 0 0 301.346 2.178 10 30 DEEERN CCS(=O)(=O)[C@H]1CSCCN1c1cccc(F)c1C#N ZINC000093406688 193245370 /nfs/dbraw/zinc/24/53/70/193245370.db2.gz VRBPVWWGRRSIQE-ZDUSSCGKSA-N 0 0 314.407 2.011 10 30 DEEERN C=CCN(CCO)Cc1cc(OC)ccc1Br ZINC000093511996 193261148 /nfs/dbraw/zinc/26/11/48/193261148.db2.gz FVIMKHBRYUHHLZ-UHFFFAOYSA-N 0 0 300.196 2.438 10 30 DEEERN Cc1cc(=O)[nH]c(S[C@H]2CCC[C@](C#N)(NC3CC3)C2)n1 ZINC000093746985 193299466 /nfs/dbraw/zinc/29/94/66/193299466.db2.gz IRLIHEVOKFLOKY-WFASDCNBSA-N 0 0 304.419 2.127 10 30 DEEERN C[C@H](O)c1ccc(N2CCO[C@H](C#N)C2)c(Br)c1 ZINC000093933050 193329655 /nfs/dbraw/zinc/32/96/55/193329655.db2.gz NHCBKWUMDKRYRO-GXSJLCMTSA-N 0 0 311.179 2.231 10 30 DEEERN C[C@@H](CCc1ccco1)NC(=O)c1csc(C#CCO)c1 ZINC000093974517 193332511 /nfs/dbraw/zinc/33/25/11/193332511.db2.gz VBLDIFLGDBUDNA-LBPRGKRZSA-N 0 0 303.383 2.436 10 30 DEEERN CC[C@H]1CO[C@H](C)CN1C(=O)c1csc(C#CCCO)c1 ZINC000093974257 193333125 /nfs/dbraw/zinc/33/31/25/193333125.db2.gz JPFGLAYIXNVNSG-OCCSQVGLSA-N 0 0 307.415 2.122 10 30 DEEERN Cc1cc(C(=O)N2C[C@H](C)OC[C@@H]2C)sc1C#CCCO ZINC000094533969 193377552 /nfs/dbraw/zinc/37/75/52/193377552.db2.gz ZKIAAHUHMVYTCI-STQMWFEESA-N 0 0 307.415 2.040 10 30 DEEERN CC[C@H]1CO[C@H](C)CN1C(=O)c1cc(C)c(C#CCO)s1 ZINC000094534226 193377716 /nfs/dbraw/zinc/37/77/16/193377716.db2.gz NBUSWFWLYSJVTK-OLZOCXBDSA-N 0 0 307.415 2.040 10 30 DEEERN C[C@H](C#N)CN(C)C(=O)c1cc(C(F)(F)F)ccc1NN ZINC000094596503 193382127 /nfs/dbraw/zinc/38/21/27/193382127.db2.gz FGGVQADXYNUVAQ-MRVPVSSYSA-N 0 0 300.284 2.223 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC[C@@H](CO)[C@@H]2CC)cc1OC ZINC000452944681 244755101 /nfs/dbraw/zinc/75/51/01/244755101.db2.gz VHSYDMOHTGYGPS-GJZGRUSLSA-N 0 0 319.401 2.493 10 30 DEEERN O=C(NCC#Cc1ccc(N2CCOC2=O)cc1)C1CCCC1 ZINC000096349667 193615247 /nfs/dbraw/zinc/61/52/47/193615247.db2.gz MNDJRSJMWPYWNE-UHFFFAOYSA-N 0 0 312.369 2.301 10 30 DEEERN C=C(C)CN(CC)c1nnc(-c2nnn(C)c2C)n1CC(=C)C ZINC000453465725 245150039 /nfs/dbraw/zinc/15/00/39/245150039.db2.gz UGULKSXFAAIEMR-UHFFFAOYSA-N 0 0 315.425 2.361 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000453652769 245243115 /nfs/dbraw/zinc/24/31/15/245243115.db2.gz OYIOARRPPMQRFK-UHFFFAOYSA-N 0 0 300.358 2.179 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C)CC(C)(C)O ZINC000453865661 245330430 /nfs/dbraw/zinc/33/04/30/245330430.db2.gz GIULKNGLAGJVMD-ZDUSSCGKSA-N 0 0 318.417 2.409 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N1CCC([C@H](C)O)CC1 ZINC000265723539 204824193 /nfs/dbraw/zinc/82/41/93/204824193.db2.gz HTHSMEWAQGFDOC-AWEZNQCLSA-N 0 0 316.401 2.001 10 30 DEEERN N#C[C@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C1CC1 ZINC000161821623 197521120 /nfs/dbraw/zinc/52/11/20/197521120.db2.gz ZZECDMIRIUBQMO-MEDUHNTESA-N 0 0 313.382 2.034 10 30 DEEERN N#Cc1ccc(S(=O)(=O)CCSc2ccncc2N)cc1 ZINC000159895418 197371721 /nfs/dbraw/zinc/37/17/21/197371721.db2.gz SOBVHOLRVLKNPU-UHFFFAOYSA-N 0 0 319.411 2.101 10 30 DEEERN C=CCOc1ccc(CNC(=O)NCC2=CCOCC2)cc1 ZINC000455051495 246350469 /nfs/dbraw/zinc/35/04/69/246350469.db2.gz SQUJSABLSZICON-UHFFFAOYSA-N 0 0 302.374 2.397 10 30 DEEERN C=CCC[C@@H](NC(=O)[C@H](C)n1nc(C)cc1C)C(=O)OCC ZINC000456631504 247326120 /nfs/dbraw/zinc/32/61/20/247326120.db2.gz SGPIJDMASYQCOF-UONOGXRCSA-N 0 0 307.394 2.075 10 30 DEEERN C#CCNC(=O)[C@H](C)Nc1c(F)cc(F)cc1Br ZINC000036963862 182855713 /nfs/dbraw/zinc/85/57/13/182855713.db2.gz QZIGRUWZSKLADB-ZETCQYMHSA-N 0 0 317.133 2.277 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)N[C@@H](CC)c1c(C)nn(C)c1C ZINC000458463036 248320549 /nfs/dbraw/zinc/32/05/49/248320549.db2.gz AETLENFDPQKMKL-KBPBESRZSA-N 0 0 308.426 2.114 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000461772467 248693100 /nfs/dbraw/zinc/69/31/00/248693100.db2.gz OGGKJZZTTBINEU-DJIMGWMZSA-N 0 0 318.417 2.391 10 30 DEEERN C=C(CNS(=O)(=O)c1cnc(C)c(C#N)c1)c1ccccc1 ZINC000489862432 248853377 /nfs/dbraw/zinc/85/33/77/248853377.db2.gz GEXXNQCNYNDLJN-UHFFFAOYSA-N 0 0 313.382 2.253 10 30 DEEERN COCCN(C(C)=O)C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000039365552 183017102 /nfs/dbraw/zinc/01/71/02/183017102.db2.gz QZUINWYTHMCTQK-UHFFFAOYSA-N 0 0 307.733 2.011 10 30 DEEERN N#CCN(CC#N)c1ncnc(Oc2ccccc2)c1[N+](=O)[O-] ZINC000040617997 183109414 /nfs/dbraw/zinc/10/94/14/183109414.db2.gz RCJNQOYWRGNWQD-UHFFFAOYSA-N 0 0 310.273 2.031 10 30 DEEERN N#C[C@@H](c1ccccc1F)N1CCN(C(=O)c2ccco2)CC1 ZINC000041257649 183181366 /nfs/dbraw/zinc/18/13/66/183181366.db2.gz ODLJRBSIWVNYKI-HNNXBMFYSA-N 0 0 313.332 2.441 10 30 DEEERN Cc1nc(NC(=O)c2cc(C#CCO)ccc2F)sc1C ZINC000049105618 183713388 /nfs/dbraw/zinc/71/33/88/183713388.db2.gz YLLUTIUIJUQCNK-UHFFFAOYSA-N 0 0 304.346 2.495 10 30 DEEERN COc1ccc(C#CCO)cc1NC(=O)c1cc(Cl)c[nH]1 ZINC000049589016 183744519 /nfs/dbraw/zinc/74/45/19/183744519.db2.gz YNQRLCRERXUFDY-UHFFFAOYSA-N 0 0 304.733 2.273 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](CO)C(C)C ZINC000553748926 291749192 /nfs/dbraw/zinc/74/91/92/291749192.db2.gz DWEFUUFNRIIEJC-DOTOQJQBSA-N 0 0 318.417 2.342 10 30 DEEERN C=CCNC(=O)[C@@H](C)Oc1ccc(C=O)cc1Br ZINC000058615351 184125098 /nfs/dbraw/zinc/12/50/98/184125098.db2.gz XLRPISWORDUJQJ-SECBINFHSA-N 0 0 312.163 2.331 10 30 DEEERN C[C@H](NS(=O)(=O)c1ccc(C#CCO)cc1)c1ccsc1 ZINC000061372068 184169729 /nfs/dbraw/zinc/16/97/29/184169729.db2.gz BNTHOJDHMFKIQX-LBPRGKRZSA-N 0 0 321.423 2.131 10 30 DEEERN C#CCN[C@](C)(C(=O)OC)c1ccc(F)c(Br)c1 ZINC000061689541 184182759 /nfs/dbraw/zinc/18/27/59/184182759.db2.gz CXBKACBSLQINIW-ZDUSSCGKSA-N 0 0 314.154 2.199 10 30 DEEERN C[C@@H](C(=O)c1ccc(Br)cc1)n1cnc(C#N)n1 ZINC000061842334 184189617 /nfs/dbraw/zinc/18/96/17/184189617.db2.gz DPDRDIRUIZOJBU-QMMMGPOBSA-N 0 0 305.135 2.356 10 30 DEEERN Cc1c(N)cccc1S(=O)(=O)N(C)c1ccc(C#N)cc1 ZINC000061979684 184199823 /nfs/dbraw/zinc/19/98/23/184199823.db2.gz AWNBIVWSHMSNDT-UHFFFAOYSA-N 0 0 301.371 2.274 10 30 DEEERN N#Cc1ccccc1CS(=O)(=O)Nc1cc(F)ccc1N ZINC000063209204 184278315 /nfs/dbraw/zinc/27/83/15/184278315.db2.gz AEWIGPVNWQWGER-UHFFFAOYSA-N 0 0 305.334 2.221 10 30 DEEERN O=C(NCCC(F)(F)F)c1ccc(C#CCCO)c(F)c1 ZINC000063102108 184271121 /nfs/dbraw/zinc/27/11/21/184271121.db2.gz UIQXSXFTXXHTRQ-UHFFFAOYSA-N 0 0 303.255 2.242 10 30 DEEERN C[C@H](OC1CCCCCC1)C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000329045201 299551020 /nfs/dbraw/zinc/55/10/20/299551020.db2.gz PPFVQMLZNJCXGF-AEGPPILISA-N 0 0 322.409 2.302 10 30 DEEERN COc1ccccc1[C@H](CO)NC(=O)c1sccc1C#N ZINC000537777219 285014878 /nfs/dbraw/zinc/01/48/78/285014878.db2.gz APMLIVCRRICLLO-LBPRGKRZSA-N 0 0 302.355 2.092 10 30 DEEERN N#Cc1cc(C(=O)NCC(=O)NC2CCCCC2)ccc1Cl ZINC000538267776 285029604 /nfs/dbraw/zinc/02/96/04/285029604.db2.gz VHZYGDQQVXFUFJ-UHFFFAOYSA-N 0 0 319.792 2.390 10 30 DEEERN COc1ccc(CSc2nnc(CO)n2C2CC2)cc1C#N ZINC000159043926 197322052 /nfs/dbraw/zinc/32/20/52/197322052.db2.gz QIAZXHZGSASSGJ-UHFFFAOYSA-N 0 0 316.386 2.278 10 30 DEEERN CCSC[C@@H](C)NS(=O)(=O)c1cccc(F)c1C#N ZINC000158956781 197314452 /nfs/dbraw/zinc/31/44/52/197314452.db2.gz SSKQJGVEFJBNDE-SECBINFHSA-N 0 0 302.396 2.117 10 30 DEEERN C=CCN(CCO)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000158799650 197301896 /nfs/dbraw/zinc/30/18/96/197301896.db2.gz MCGITJKLQJNIJO-UHFFFAOYSA-N 0 0 319.130 2.481 10 30 DEEERN N#C[C@]1([C@H](O)c2csc3ccccc32)CCS(=O)(=O)C1 ZINC000157648504 197204268 /nfs/dbraw/zinc/20/42/68/197204268.db2.gz WWBJATCSZSTNGR-ZIAGYGMSSA-N 0 0 307.396 2.263 10 30 DEEERN N#C[C@@]1([C@@H](O)c2cccc3ccccc32)CCS(=O)(=O)C1 ZINC000157640530 197204041 /nfs/dbraw/zinc/20/40/41/197204041.db2.gz RRPBFBZHXIKRFC-HOTGVXAUSA-N 0 0 301.367 2.202 10 30 DEEERN C=CCOc1ccc(C(=O)Nc2cc(CCOC)nn2C)cc1 ZINC000156590073 197125452 /nfs/dbraw/zinc/12/54/52/197125452.db2.gz GROHRQMZINNIFJ-UHFFFAOYSA-N 0 0 315.373 2.426 10 30 DEEERN Cc1cc(C(=O)NC[C@@H]2CCCS2)sc1C#CCCO ZINC000155931912 197075918 /nfs/dbraw/zinc/07/59/18/197075918.db2.gz AJBSMEAXIYJVEH-LBPRGKRZSA-N 0 0 309.456 2.416 10 30 DEEERN CCN(C(=O)[C@@H]1CSC(=O)N1)[C@@H](C)c1ccc(C#N)cc1 ZINC000155320504 197043568 /nfs/dbraw/zinc/04/35/68/197043568.db2.gz SBIVSXMZLRKLRX-GWCFXTLKSA-N 0 0 303.387 2.293 10 30 DEEERN C=C[C@H](CC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C)c1ccccc1 ZINC000155227677 197034735 /nfs/dbraw/zinc/03/47/35/197034735.db2.gz ZRQDQKSNAJSUAG-SQWLQELKSA-N 0 0 300.402 2.459 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000155091801 197020775 /nfs/dbraw/zinc/02/07/75/197020775.db2.gz IGYHIPRHXJVBNZ-CYBMUJFWSA-N 0 0 304.394 2.144 10 30 DEEERN CCOC(=O)[C@@]1(C)CCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000154920856 197005444 /nfs/dbraw/zinc/00/54/44/197005444.db2.gz DGNSBXMTCOMDRH-HNNXBMFYSA-N 0 0 303.318 2.246 10 30 DEEERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(CCC#N)CC1CC1 ZINC000112900657 533221822 /nfs/dbraw/zinc/22/18/22/533221822.db2.gz CUTONKAIQKDHRG-CYBMUJFWSA-N 0 0 314.389 2.349 10 30 DEEERN C=CCO[C@@H]1CCN(C(=O)[C@H]2CCOC2)[C@@H]1Cc1ccccc1 ZINC000253374359 257106049 /nfs/dbraw/zinc/10/60/49/257106049.db2.gz MAXYAKLAGPEEOW-RCCFBDPRSA-N 0 0 315.413 2.438 10 30 DEEERN C[C@@H]1[C@H](C)OCCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000121850224 195361213 /nfs/dbraw/zinc/36/12/13/195361213.db2.gz WCTXJTNLYNLYNI-ZJUUUORDSA-N 0 0 314.794 2.010 10 30 DEEERN C=CCCCN(C)S(=O)(=O)Cc1cccc(C(=O)OC)c1 ZINC000122455628 195453576 /nfs/dbraw/zinc/45/35/76/195453576.db2.gz NOTYRWHMSYCOEB-UHFFFAOYSA-N 0 0 311.403 2.201 10 30 DEEERN COCCc1cc(NC(=O)c2c(F)cc(C#N)cc2F)n(C)n1 ZINC000123044665 195537079 /nfs/dbraw/zinc/53/70/79/195537079.db2.gz AFMDNIQJLYEPKI-UHFFFAOYSA-N 0 0 320.299 2.011 10 30 DEEERN COc1cc(C(=O)N2CCC(C)(C#N)CC2)cc(OC)c1O ZINC000356991666 533515052 /nfs/dbraw/zinc/51/50/52/533515052.db2.gz UJYAUQMDANKEKR-UHFFFAOYSA-N 0 0 304.346 2.175 10 30 DEEERN COc1cccc(C[C@@H](O)C(=O)NCC2CCC(C#N)CC2)c1 ZINC000442976205 533542890 /nfs/dbraw/zinc/54/28/90/533542890.db2.gz WOCWETHLHBEXQC-MQBCKMQZSA-N 0 0 316.401 2.045 10 30 DEEERN COc1cccc(C[C@H](O)C(=O)NCC2CCC(C#N)CC2)c1 ZINC000442976201 533549161 /nfs/dbraw/zinc/54/91/61/533549161.db2.gz WOCWETHLHBEXQC-KVULBXGLSA-N 0 0 316.401 2.045 10 30 DEEERN COc1ccc(CNC(=O)NCC2CCC(C#N)CC2)cn1 ZINC000441030496 533609650 /nfs/dbraw/zinc/60/96/50/533609650.db2.gz ZZOOIOSZGYRRJO-UHFFFAOYSA-N 0 0 302.378 2.219 10 30 DEEERN COC(=O)[C@@H](N[C@@H]1COc2ccccc21)c1cccc(C#N)c1 ZINC000176744479 132521989 /nfs/dbraw/zinc/52/19/89/132521989.db2.gz SVYHZUHHNNYJSO-WBVHZDCISA-N 0 0 308.337 2.496 10 30 DEEERN CN1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1=O ZINC000359694869 133139481 /nfs/dbraw/zinc/13/94/81/133139481.db2.gz MPWOGBYEGWKNJV-UHFFFAOYSA-N 0 0 321.380 2.369 10 30 DEEERN C[C@@H](C(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C)n1cnc(C#N)n1 ZINC000360689351 133195024 /nfs/dbraw/zinc/19/50/24/133195024.db2.gz MOBIJEYOEQUBHE-FRRDWIJNSA-N 0 0 303.410 2.384 10 30 DEEERN N#Cc1cc2c(nc1NC(=O)c1cccc3ncnn31)CCCC2 ZINC000361883934 133197664 /nfs/dbraw/zinc/19/76/64/133197664.db2.gz AXHOMAPVJIFXFU-UHFFFAOYSA-N 0 0 318.340 2.127 10 30 DEEERN N#Cc1cc2c(nc1NC(=O)CCCn1cccn1)CCCC2 ZINC000361892162 133198151 /nfs/dbraw/zinc/19/81/51/133198151.db2.gz ZWGBIXQNQDGGPC-UHFFFAOYSA-N 0 0 309.373 2.447 10 30 DEEERN Cc1cc(C#N)nc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1 ZINC000376393372 133292831 /nfs/dbraw/zinc/29/28/31/133292831.db2.gz AOYHUMXEFYTKCT-MRXNPFEDSA-N 0 0 305.341 2.106 10 30 DEEERN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[C@@H]3C)C2)n1 ZINC000377900088 133350340 /nfs/dbraw/zinc/35/03/40/133350340.db2.gz GHWISZFYRQZXTE-GOEBONIOSA-N 0 0 312.417 2.489 10 30 DEEERN CC(C)N1CC[C@H](NC(=O)[C@@H]2CCN2Cc2ccccc2)C1=O ZINC000329874306 404479772 /nfs/dbraw/zinc/47/97/72/404479772.db2.gz CSXPKQRYVNVPTI-HOTGVXAUSA-N 0 0 315.417 2.227 10 30 DEEERN C#CC[C@@H](NC(=O)N1CC(F)(F)C[C@@H]1CO)c1ccccc1 ZINC000364644226 404482702 /nfs/dbraw/zinc/48/27/02/404482702.db2.gz ZCMLAHJCSAXJSI-ZIAGYGMSSA-N 0 0 308.328 2.163 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1CCO[C@]2(CCSC2)C1 ZINC000564905723 292119872 /nfs/dbraw/zinc/11/98/72/292119872.db2.gz TZZQQUJOZONAGD-MRXNPFEDSA-N 0 0 302.399 2.473 10 30 DEEERN CCOC[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000081427821 144584323 /nfs/dbraw/zinc/58/43/23/144584323.db2.gz AQSQIXXGJGWANC-ZIAGYGMSSA-N 0 0 302.374 2.211 10 30 DEEERN Cc1cccc(OCC(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000173902130 144852360 /nfs/dbraw/zinc/85/23/60/144852360.db2.gz ZHXOTAZCVVWCQM-UHFFFAOYSA-N 0 0 310.353 2.441 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)Nc2ccccn2)cn1 ZINC000185897805 144970057 /nfs/dbraw/zinc/97/00/57/144970057.db2.gz PQZZWMJOLWOOAG-UHFFFAOYSA-N 0 0 305.301 2.178 10 30 DEEERN N#Cc1cc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)ccn1 ZINC000192545448 145074876 /nfs/dbraw/zinc/07/48/76/145074876.db2.gz AULRIHMSLFQGLD-INIZCTEOSA-N 0 0 311.316 2.306 10 30 DEEERN N#Cc1cc(C(=O)NCc2ccc(Cn3cccn3)cc2)ccn1 ZINC000192547298 145075309 /nfs/dbraw/zinc/07/53/09/145075309.db2.gz QYUMDYRFVCGEPI-UHFFFAOYSA-N 0 0 317.352 2.128 10 30 DEEERN N#Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)ccn1 ZINC000193270392 145084599 /nfs/dbraw/zinc/08/45/99/145084599.db2.gz FDPNVOMIVGHRCI-GOSISDBHSA-N 0 0 320.396 2.348 10 30 DEEERN COCCN(C(=O)c1ccnc(C#N)c1)c1ccc(C#N)cc1 ZINC000193611745 145087769 /nfs/dbraw/zinc/08/77/69/145087769.db2.gz ZCVINFSZGCQQIK-UHFFFAOYSA-N 0 0 306.325 2.118 10 30 DEEERN Cc1ccc2c(c1)nc(CNC(=O)c1ccnc(C#N)c1)n2C ZINC000193850210 145091007 /nfs/dbraw/zinc/09/10/07/145091007.db2.gz AEABOSVIJYVNGM-UHFFFAOYSA-N 0 0 305.341 2.078 10 30 DEEERN CC(C)(O)C(C)(C)NC(=O)CSCc1ccc(C#N)cc1 ZINC000357095840 147040863 /nfs/dbraw/zinc/04/08/63/147040863.db2.gz VGHUNEQWIZNCFI-UHFFFAOYSA-N 0 0 306.431 2.457 10 30 DEEERN N#Cc1c(F)cccc1C(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000375012989 148316024 /nfs/dbraw/zinc/31/60/24/148316024.db2.gz YNGSNILGCKSRCH-UHFFFAOYSA-N 0 0 314.291 2.180 10 30 DEEERN COCc1nccc([C@@H]2CCCN(c3ccncc3C#N)C2)n1 ZINC000375402709 148368109 /nfs/dbraw/zinc/36/81/09/148368109.db2.gz KRTYVWGREVNINB-CYBMUJFWSA-N 0 0 309.373 2.274 10 30 DEEERN Cc1ccc(S(=O)(=O)O[C@H]2C[C@H]3C[C@@H]2[C@@H]([N+](=O)[O-])C3)cc1 ZINC000013466732 292185774 /nfs/dbraw/zinc/18/57/74/292185774.db2.gz DBUTUPHCSIRUQR-GHYVTOPFSA-N 0 0 311.359 2.144 10 30 DEEERN C=CCCOCCNC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000127268867 401726805 /nfs/dbraw/zinc/72/68/05/401726805.db2.gz GRYTVXKFBKRRKU-AWEZNQCLSA-N 0 0 310.419 2.424 10 30 DEEERN COCC1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000112312041 401738611 /nfs/dbraw/zinc/73/86/11/401738611.db2.gz BIACCGKXXKNWIN-ZDUSSCGKSA-N 0 0 302.374 2.211 10 30 DEEERN Cn1cc([C@H]2CCCN2C(=O)Cc2cccc(OCC#N)c2)cn1 ZINC000126463240 401695872 /nfs/dbraw/zinc/69/58/72/401695872.db2.gz SBIHYBJOTIIDJV-QGZVFWFLSA-N 0 0 324.384 2.229 10 30 DEEERN COc1cc(OC)cc([C@@H]2CCN(c3cnc(C#N)cn3)C2)c1 ZINC000126626451 401701539 /nfs/dbraw/zinc/70/15/39/401701539.db2.gz VUTXPZBORKDZIA-GFCCVEGCSA-N 0 0 310.357 2.359 10 30 DEEERN C=CCNC(=O)[C@H](C)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000126766001 401707336 /nfs/dbraw/zinc/70/73/36/401707336.db2.gz BMMVZNTXCQKVNS-HEHGZKQESA-N 0 0 306.381 2.278 10 30 DEEERN Cc1ccn2ncc(C(=O)N(CCC#N)Cc3ccco3)c2n1 ZINC000072572114 401711333 /nfs/dbraw/zinc/71/13/33/401711333.db2.gz LWOBEHXWRBEKMX-UHFFFAOYSA-N 0 0 309.329 2.187 10 30 DEEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)CCCC#N ZINC000111338507 401712160 /nfs/dbraw/zinc/71/21/60/401712160.db2.gz ZRMWPAAWPXLDKU-UKRRQHHQSA-N 0 0 308.403 2.082 10 30 DEEERN Cn1c(CNC(=O)c2cccc(CC#N)c2)nnc1C1CCC1 ZINC000129410723 401803238 /nfs/dbraw/zinc/80/32/38/401803238.db2.gz OQFRBOQWWOEPRO-UHFFFAOYSA-N 0 0 309.373 2.079 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccc(C#N)cc3C)[C@@H]2C1 ZINC000127858298 401752740 /nfs/dbraw/zinc/75/27/40/401752740.db2.gz NVZJCVVMVYWIOO-OIISXLGYSA-N 0 0 314.385 2.275 10 30 DEEERN CC[C@H](CC#N)NC(=O)C(=O)Nc1cc(F)ccc1OC(C)C ZINC000128154034 401765288 /nfs/dbraw/zinc/76/52/88/401765288.db2.gz SLTQFPALGRUKGQ-GFCCVEGCSA-N 0 0 321.352 2.360 10 30 DEEERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)o1 ZINC000077538252 401819452 /nfs/dbraw/zinc/81/94/52/401819452.db2.gz AFMVQKCMDLDLAN-SNVBAGLBSA-N 0 0 315.304 2.415 10 30 DEEERN C[C@@H](CO)[C@@H](C)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000077700941 401826272 /nfs/dbraw/zinc/82/62/72/401826272.db2.gz CDWKUYOQADZWPO-DTWKUNHWSA-N 0 0 313.304 2.298 10 30 DEEERN C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H](C)CO ZINC000077700944 401826883 /nfs/dbraw/zinc/82/68/83/401826883.db2.gz CDWKUYOQADZWPO-RKDXNWHRSA-N 0 0 313.304 2.298 10 30 DEEERN CNC(=O)CN(Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000031449182 401871124 /nfs/dbraw/zinc/87/11/24/401871124.db2.gz SRDZAZNLBKLMHG-UHFFFAOYSA-N 0 0 318.380 2.178 10 30 DEEERN CCN([C@H](C)c1cccnc1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000115588966 401832975 /nfs/dbraw/zinc/83/29/75/401832975.db2.gz UAAVDAHDRLIPCZ-GFCCVEGCSA-N 0 0 316.386 2.120 10 30 DEEERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1ccc(C#N)cc1)CC2 ZINC000133526127 401889465 /nfs/dbraw/zinc/88/94/65/401889465.db2.gz NYSCTCJSUBXIAY-AWEZNQCLSA-N 0 0 309.373 2.018 10 30 DEEERN N#CCCCCS(=O)(=O)NCCc1cc(F)ccc1F ZINC000080800996 401892283 /nfs/dbraw/zinc/89/22/83/401892283.db2.gz ILROFWYZELFKSH-UHFFFAOYSA-N 0 0 302.346 2.121 10 30 DEEERN CCc1ccc([C@H](COC)NC(=O)c2cc(C#N)cn2C)o1 ZINC000081548443 401896653 /nfs/dbraw/zinc/89/66/53/401896653.db2.gz FNYZMEXOBDFAHZ-ZDUSSCGKSA-N 0 0 301.346 2.170 10 30 DEEERN Cn1c(=O)[nH]cc(C(=O)C=Cc2ccc(C(C)(C)C)s2)c1=O ZINC000118946752 401914745 /nfs/dbraw/zinc/91/47/45/401914745.db2.gz TZUFIOBIORKNEZ-FNORWQNLSA-N 0 0 318.398 2.329 10 30 DEEERN C#CCNC(=O)[C@@H](C)N1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134826412 401916490 /nfs/dbraw/zinc/91/64/90/401916490.db2.gz QGFWDIBJQAQRLQ-CZUORRHYSA-N 0 0 316.376 2.001 10 30 DEEERN C[C@@H](C[S@@](C)=O)N(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000135790441 401953370 /nfs/dbraw/zinc/95/33/70/401953370.db2.gz WPWWHRLHGFVHNM-QKVFXAPYSA-N 0 0 304.415 2.081 10 30 DEEERN C#C[C@](NC(=O)OCc1ccccc1)(C(=O)OC)C(F)(F)F ZINC000043464657 401938449 /nfs/dbraw/zinc/93/84/49/401938449.db2.gz FWZVGAVQBUZNOJ-ZDUSSCGKSA-N 0 0 315.247 2.020 10 30 DEEERN C=CCN(C/C=C/c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000092361350 402004211 /nfs/dbraw/zinc/00/42/11/402004211.db2.gz BDJMBVUWESJLBY-IQIBNGDESA-N 0 0 321.442 2.384 10 30 DEEERN C=CCOc1ccccc1CN1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000092703205 402007191 /nfs/dbraw/zinc/00/71/91/402007191.db2.gz MLWQNUORZYLIHC-HOTGVXAUSA-N 0 0 300.402 2.494 10 30 DEEERN C[C@@H](Nc1ccn(CCC#N)n1)C(=O)N[C@@H](C)c1ccccc1 ZINC000152773469 402108285 /nfs/dbraw/zinc/10/82/85/402108285.db2.gz YTUHFIVEAACNOP-UONOGXRCSA-N 0 0 311.389 2.475 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000152959042 402119427 /nfs/dbraw/zinc/11/94/27/402119427.db2.gz QWZCNYQUZGMNBK-HNNXBMFYSA-N 0 0 306.369 2.270 10 30 DEEERN Cc1cc(C)c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[nH]1 ZINC000123549540 402133738 /nfs/dbraw/zinc/13/37/38/402133738.db2.gz RGNWZTXVJGMPNZ-QGZVFWFLSA-N 0 0 322.412 2.482 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)NCCc1nc(C)no1 ZINC000101618463 402151415 /nfs/dbraw/zinc/15/14/15/402151415.db2.gz BLCHCJFLZRKXAD-UHFFFAOYSA-N 0 0 314.389 2.361 10 30 DEEERN CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000102719014 402171467 /nfs/dbraw/zinc/17/14/67/402171467.db2.gz UCVQOVZGKLQXQW-GFCCVEGCSA-N 0 0 323.805 2.462 10 30 DEEERN C#Cc1cccc(N(CC)C(=O)[C@H]2CSCN2C(=O)CC)c1 ZINC000103027023 402176651 /nfs/dbraw/zinc/17/66/51/402176651.db2.gz IWTBHZVMQOAJAT-OAHLLOKOSA-N 0 0 316.426 2.332 10 30 DEEERN CC#CCNC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 ZINC000154523294 402216265 /nfs/dbraw/zinc/21/62/65/402216265.db2.gz XWFDHFYPEGIOLE-UHFFFAOYSA-N 0 0 308.337 2.331 10 30 DEEERN CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc(C#N)cn2)C1 ZINC000107596641 402235777 /nfs/dbraw/zinc/23/57/77/402235777.db2.gz XIQXCKYZMLTDQG-CQSZACIVSA-N 0 0 309.373 2.189 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000125712877 402246432 /nfs/dbraw/zinc/24/64/32/402246432.db2.gz ZSKRMAKQXJJCDF-OAHLLOKOSA-N 0 0 316.401 2.421 10 30 DEEERN Cc1ccc(N2CCC[C@@H](Nc3cnc(C#N)cn3)C2=O)cc1 ZINC000125731984 402247336 /nfs/dbraw/zinc/24/73/36/402247336.db2.gz MKGVJJMBUSOKHE-OAHLLOKOSA-N 0 0 307.357 2.264 10 30 DEEERN C=C[C@H](CC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C)c1ccccc1 ZINC000155227476 402249603 /nfs/dbraw/zinc/24/96/03/402249603.db2.gz ZRQDQKSNAJSUAG-LZWOXQAQSA-N 0 0 300.402 2.459 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1CCN(C2CC2)CC1 ZINC000126013640 402260596 /nfs/dbraw/zinc/26/05/96/402260596.db2.gz HINGNBZBHLRYKC-UHFFFAOYSA-N 0 0 316.401 2.180 10 30 DEEERN CC#CCCN1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000155817563 402267675 /nfs/dbraw/zinc/26/76/75/402267675.db2.gz WJLOCYYOPRBZIR-UHFFFAOYSA-N 0 0 304.821 2.440 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)NC(C2CC2)C2CC2)cn1 ZINC000184581137 402278937 /nfs/dbraw/zinc/27/89/37/402278937.db2.gz SMDLKVVRQJEQTQ-UHFFFAOYSA-N 0 0 322.372 2.449 10 30 DEEERN C[C@@H]1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@H]1C ZINC000184642876 402287264 /nfs/dbraw/zinc/28/72/64/402287264.db2.gz HOOMUSKCYQFOGT-NEPJUHHUSA-N 0 0 310.361 2.401 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cccc(-c2nccn2C)c1 ZINC000184906063 402308527 /nfs/dbraw/zinc/30/85/27/402308527.db2.gz HZOVZNKUUZTRFW-CQSZACIVSA-N 0 0 300.362 2.146 10 30 DEEERN CN(C)C(=O)[C@@H]1CCCN1Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000158729667 402310964 /nfs/dbraw/zinc/31/09/64/402310964.db2.gz VWUDAFDQNMDLSU-HNNXBMFYSA-N 0 0 324.384 2.266 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000185892754 402387038 /nfs/dbraw/zinc/38/70/38/402387038.db2.gz RMYRVULHNSMWNC-CQSZACIVSA-N 0 0 319.792 2.252 10 30 DEEERN CN(C)C(=O)Sc1ccc(CN2CCO[C@H](C#N)C2)cc1 ZINC000176920035 402350424 /nfs/dbraw/zinc/35/04/24/402350424.db2.gz ZIKGKSQXDNXRCX-CYBMUJFWSA-N 0 0 305.403 2.185 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000185518906 402358523 /nfs/dbraw/zinc/35/85/23/402358523.db2.gz VDAPFHKOEIRNOU-CZUORRHYSA-N 0 0 305.422 2.330 10 30 DEEERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1cc(C#N)cs1)CC2 ZINC000177017394 402359880 /nfs/dbraw/zinc/35/98/80/402359880.db2.gz HHQBMGJCEZRRDI-NSHDSACASA-N 0 0 315.402 2.079 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCN(c2nccc(OCC)n2)CC1 ZINC000185544208 402360092 /nfs/dbraw/zinc/36/00/92/402360092.db2.gz VNXYVIMIMROYMU-AWEZNQCLSA-N 0 0 318.421 2.126 10 30 DEEERN C[C@H](c1nccs1)N1CCN(Cc2ccc(C#N)o2)CC1 ZINC000185617454 402365203 /nfs/dbraw/zinc/36/52/03/402365203.db2.gz FDWGCDNHFMKUPQ-GFCCVEGCSA-N 0 0 302.403 2.487 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(F)c(F)cc1Br ZINC000185728532 402372513 /nfs/dbraw/zinc/37/25/13/402372513.db2.gz CIRXKYNXTSIFOT-ZETCQYMHSA-N 0 0 320.133 2.394 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCC(c2nncn2C)CC1 ZINC000161163381 402375730 /nfs/dbraw/zinc/37/57/30/402375730.db2.gz FBXWRNYXNNKFRA-UHFFFAOYSA-N 0 0 309.373 2.015 10 30 DEEERN N#Cc1cccnc1-n1cc(NCc2cnc3ccccn23)cn1 ZINC000185845618 402382408 /nfs/dbraw/zinc/38/24/08/402382408.db2.gz SOIOXAUFPZOGPT-UHFFFAOYSA-N 0 0 315.340 2.399 10 30 DEEERN C=CC[C@H](CO)NC(=O)C1(c2ccccc2Cl)CCOCC1 ZINC000185879727 402385098 /nfs/dbraw/zinc/38/50/98/402385098.db2.gz SFCWRZDQKQJYTO-CYBMUJFWSA-N 0 0 323.820 2.441 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)OC ZINC000186211289 402411004 /nfs/dbraw/zinc/41/10/04/402411004.db2.gz QJSFVWYIYVMXPL-HIFRSBDPSA-N 0 0 319.401 2.442 10 30 DEEERN N#CCC[C@H](C#N)CN1CCC(C(=O)NCc2ccccc2)CC1 ZINC000162231873 402414153 /nfs/dbraw/zinc/41/41/53/402414153.db2.gz ACIZTSGZLRJCDY-QGZVFWFLSA-N 0 0 324.428 2.458 10 30 DEEERN C#CCSCCNC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000177544325 402414239 /nfs/dbraw/zinc/41/42/39/402414239.db2.gz IIBOUMRYEWRQIL-GFCCVEGCSA-N 0 0 322.434 2.406 10 30 DEEERN CCCn1c(CO)nnc1SCc1ccc(OC)c(C#N)c1 ZINC000162315703 402415834 /nfs/dbraw/zinc/41/58/34/402415834.db2.gz SLTUZYDGIBZXHR-UHFFFAOYSA-N 0 0 318.402 2.353 10 30 DEEERN CN(C[C@@H]1CCCO1)C(=O)CSCc1ccc(C#N)cc1 ZINC000186394031 402428150 /nfs/dbraw/zinc/42/81/50/402428150.db2.gz JCSIXPCADHZQOF-HNNXBMFYSA-N 0 0 304.415 2.429 10 30 DEEERN CCN(CC(F)F)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000186441118 402431388 /nfs/dbraw/zinc/43/13/88/402431388.db2.gz OHZWQENNPGLHNX-UHFFFAOYSA-N 0 0 308.737 2.487 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000162911464 402436242 /nfs/dbraw/zinc/43/62/42/402436242.db2.gz KBXWLZMVKCZSLY-AWEZNQCLSA-N 0 0 319.380 2.144 10 30 DEEERN CC(C)CCN(CCC#N)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000245436991 402460634 /nfs/dbraw/zinc/46/06/34/402460634.db2.gz DPAOIPWEQXJARA-SJORKVTESA-N 0 0 321.465 2.418 10 30 DEEERN C=CCNC(=O)c1ccc(N(C)CCc2ncc(C)s2)nc1 ZINC000166032257 402480750 /nfs/dbraw/zinc/48/07/50/402480750.db2.gz WUEDTGVTONNXML-UHFFFAOYSA-N 0 0 316.430 2.441 10 30 DEEERN N#Cc1ccc(SCC(=O)N[C@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000178654342 402522480 /nfs/dbraw/zinc/52/24/80/402522480.db2.gz LOUMJKSBZPDGRF-FUHWJXTLSA-N 0 0 324.405 2.425 10 30 DEEERN CO[C@@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC[C@@H]1C ZINC000189277094 402533508 /nfs/dbraw/zinc/53/35/08/402533508.db2.gz MUKASRIMPFDKBW-ITDIGPHOSA-N 0 0 319.405 2.452 10 30 DEEERN N#CCCCCNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000171498846 402589870 /nfs/dbraw/zinc/58/98/70/402589870.db2.gz GVJHIYZWNDTXBT-CQSZACIVSA-N 0 0 319.430 2.092 10 30 DEEERN C[C@@H]1OCC[C@H]1S(=O)(=O)Oc1ccc(C#N)c(Cl)c1 ZINC000190545899 402609263 /nfs/dbraw/zinc/60/92/63/402609263.db2.gz OFSUNQYCBAACDJ-QPUJVOFHSA-N 0 0 301.751 2.098 10 30 DEEERN CCOc1ccccc1CN(C)CC(=O)N(CC)CCC#N ZINC000171859568 402629057 /nfs/dbraw/zinc/62/90/57/402629057.db2.gz ITAQPJBFWGLDAP-UHFFFAOYSA-N 0 0 303.406 2.279 10 30 DEEERN C[C@@H]1C[C@@H]1C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000249728300 402639601 /nfs/dbraw/zinc/63/96/01/402639601.db2.gz VBJLHYZOGAITQB-SWHYSGLUSA-N 0 0 315.398 2.054 10 30 DEEERN COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H](C)[C@H](OC)C1 ZINC000251442522 402647517 /nfs/dbraw/zinc/64/75/17/402647517.db2.gz BFVKVIWKBJFPAH-WQVCFCJDSA-N 0 0 302.374 2.129 10 30 DEEERN C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1cccc(C#N)c1 ZINC000181504689 402648019 /nfs/dbraw/zinc/64/80/19/402648019.db2.gz YUCVPOQGMGAMOB-ZDUSSCGKSA-N 0 0 304.357 2.385 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NCC[C@@H]1CCCCO1 ZINC000181633067 402652096 /nfs/dbraw/zinc/65/20/96/402652096.db2.gz WEWGCKQLGMZWMN-ZFWWWQNUSA-N 0 0 302.374 2.401 10 30 DEEERN CCOC(=O)C[C@H](NC(=O)CSCC#N)c1ccccc1C ZINC000173816238 402713976 /nfs/dbraw/zinc/71/39/76/402713976.db2.gz HXDUPWPLLKAXGO-AWEZNQCLSA-N 0 0 320.414 2.362 10 30 DEEERN CCc1ncc(C(=O)NCCOc2ccc(C#N)cc2)s1 ZINC000173888616 402717434 /nfs/dbraw/zinc/71/74/34/402717434.db2.gz SXJLANUOUDQLLZ-UHFFFAOYSA-N 0 0 301.371 2.386 10 30 DEEERN COc1ccc(CC(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000173901891 402718018 /nfs/dbraw/zinc/71/80/18/402718018.db2.gz WKZUXXSGNHOBNB-UHFFFAOYSA-N 0 0 310.353 2.305 10 30 DEEERN N#Cc1ccc(OCCNC(=O)CC[C@H]2CCCCO2)cc1 ZINC000173906153 402718110 /nfs/dbraw/zinc/71/81/10/402718110.db2.gz UKEXAEYLLONCOW-OAHLLOKOSA-N 0 0 302.374 2.403 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000182809098 402718151 /nfs/dbraw/zinc/71/81/51/402718151.db2.gz XJXSBBMPSDHJQG-NWDGAFQWSA-N 0 0 308.378 2.001 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1cc(Br)cs1 ZINC000183124938 402741056 /nfs/dbraw/zinc/74/10/56/402741056.db2.gz RXRPJAIRGZQAPH-VIFPVBQESA-N 0 0 319.224 2.247 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)CCc1ccc(OC)cc1 ZINC000183244805 402749969 /nfs/dbraw/zinc/74/99/69/402749969.db2.gz VPKBIKBRLFZAIZ-ZFWWWQNUSA-N 0 0 306.406 2.253 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](COCC(C)C)c1ccco1 ZINC000183280520 402753058 /nfs/dbraw/zinc/75/30/58/402753058.db2.gz LEMJBAQAFFNAKO-ZIAGYGMSSA-N 0 0 310.394 2.230 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCCc1nc2c(s1)CCCC2 ZINC000183300718 402754404 /nfs/dbraw/zinc/75/44/04/402754404.db2.gz NFUBONXVJAODKZ-GFCCVEGCSA-N 0 0 323.462 2.191 10 30 DEEERN N#Cc1cc(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)ccn1 ZINC000192920947 402757125 /nfs/dbraw/zinc/75/71/25/402757125.db2.gz CQLQFSGPMQZCKT-INIZCTEOSA-N 0 0 311.341 2.368 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000183554604 402775587 /nfs/dbraw/zinc/77/55/87/402775587.db2.gz GHCPATWKGZKXTK-CQSZACIVSA-N 0 0 303.362 2.094 10 30 DEEERN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccnc(C#N)c1 ZINC000195016882 402826872 /nfs/dbraw/zinc/82/68/72/402826872.db2.gz NXJCONLLKFCSIC-UHFFFAOYSA-N 0 0 322.368 2.281 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000184239510 402829513 /nfs/dbraw/zinc/82/95/13/402829513.db2.gz RHOUGBKJJSEMDK-STQMWFEESA-N 0 0 324.446 2.374 10 30 DEEERN CC1=C(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCCO1 ZINC000184284720 402832611 /nfs/dbraw/zinc/83/26/11/402832611.db2.gz ZNTGBTGHMJNNIY-UHFFFAOYSA-N 0 0 309.329 2.162 10 30 DEEERN N#Cc1cccc(NC(=O)CN2CCC(c3cc[nH]n3)CC2)c1 ZINC000195506869 402847977 /nfs/dbraw/zinc/84/79/77/402847977.db2.gz XQKMPIANLJLJLT-UHFFFAOYSA-N 0 0 309.373 2.099 10 30 DEEERN N#Cc1ccc(NC(=O)CN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000195506832 402848069 /nfs/dbraw/zinc/84/80/69/402848069.db2.gz CUFLSLXHWUNFEZ-UHFFFAOYSA-N 0 0 309.373 2.099 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000176027695 402848610 /nfs/dbraw/zinc/84/86/10/402848610.db2.gz NCIQQXFPZILPAF-UHFFFAOYSA-N 0 0 308.385 2.387 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000278141259 402859255 /nfs/dbraw/zinc/85/92/55/402859255.db2.gz AOSYKAHUDRYZKF-DZGCQCFKSA-N 0 0 304.438 2.416 10 30 DEEERN C=CCCCNC(=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000279178085 402912790 /nfs/dbraw/zinc/91/27/90/402912790.db2.gz IBCYJQJAXXLVJL-CQSZACIVSA-N 0 0 304.415 2.284 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1nc(C(C)(C)C)ns1 ZINC000265535565 402927603 /nfs/dbraw/zinc/92/76/03/402927603.db2.gz JCABUFNFCPBADK-UHFFFAOYSA-N 0 0 310.423 2.199 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1scc(C)c1C(=O)OCC ZINC000280388891 402994986 /nfs/dbraw/zinc/99/49/86/402994986.db2.gz FYHNEJILSJEBRG-UHFFFAOYSA-N 0 0 324.402 2.254 10 30 DEEERN C=CCNC(=O)c1ccc(N[C@H]2CC[C@@H](C(=O)OCC)C2)nc1 ZINC000280720618 403030154 /nfs/dbraw/zinc/03/01/54/403030154.db2.gz IUDHQEHFMAEIHR-OCCSQVGLSA-N 0 0 317.389 2.141 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000274253264 403039110 /nfs/dbraw/zinc/03/91/10/403039110.db2.gz HRCWSRFWLDWUFA-NWDGAFQWSA-N 0 0 310.419 2.114 10 30 DEEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000281447517 403068948 /nfs/dbraw/zinc/06/89/48/403068948.db2.gz MRXXGAOPJZRICV-CYBMUJFWSA-N 0 0 317.389 2.079 10 30 DEEERN C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000282102298 403122717 /nfs/dbraw/zinc/12/27/17/403122717.db2.gz DFXMXLATDXEFBL-SWLSCSKDSA-N 0 0 322.430 2.108 10 30 DEEERN C=CCn1c(-c2ccccn2)nnc1N1CCS[C@@H](C)C1 ZINC000282252225 403136970 /nfs/dbraw/zinc/13/69/70/403136970.db2.gz KWJYQGAQWHKDPY-LBPRGKRZSA-N 0 0 301.419 2.468 10 30 DEEERN C=CCn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1CCCO1 ZINC000282509955 403155708 /nfs/dbraw/zinc/15/57/08/403155708.db2.gz FPQCQXJZLXRWFC-CQSZACIVSA-N 0 0 313.405 2.450 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000283215872 403181219 /nfs/dbraw/zinc/18/12/19/403181219.db2.gz AWCNAAPVWITYIL-MRXNPFEDSA-N 0 0 300.402 2.085 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC000283266104 403185566 /nfs/dbraw/zinc/18/55/66/403185566.db2.gz MOXRRISJJKZUJU-UHFFFAOYSA-N 0 0 300.410 2.280 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](C)Cc1ccccc1F ZINC000284385225 403266995 /nfs/dbraw/zinc/26/69/95/403266995.db2.gz IALLCHJARPRFGV-ZDUSSCGKSA-N 0 0 306.381 2.298 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)Cn1ccnc1 ZINC000284953744 403273672 /nfs/dbraw/zinc/27/36/72/403273672.db2.gz DZTLNKNGVGJLJU-DOTOQJQBSA-N 0 0 310.401 2.205 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000345569356 403384705 /nfs/dbraw/zinc/38/47/05/403384705.db2.gz NCLQXNYXJAJAGM-NSHDSACASA-N 0 0 321.343 2.147 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@@H]2CCC[C@@H](CO)C2)cc1 ZINC000298552048 403411827 /nfs/dbraw/zinc/41/18/27/403411827.db2.gz YXZHGMGPOSVRPR-HZPDHXFCSA-N 0 0 303.402 2.461 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@H](C)c1ccc(F)cc1 ZINC000343296056 403528763 /nfs/dbraw/zinc/52/87/63/403528763.db2.gz CNYBSFJREYPNRD-ZDUSSCGKSA-N 0 0 306.381 2.470 10 30 DEEERN C=CC[C@H](C)NC(=O)C(=O)Nc1cc2cccnc2c(OC)c1 ZINC000340033330 403530125 /nfs/dbraw/zinc/53/01/25/403530125.db2.gz SQCRNMJAYCLHTK-NSHDSACASA-N 0 0 313.357 2.263 10 30 DEEERN COC[C@@H]1CN(CCOc2cccc(C#N)c2)CC(C)(C)O1 ZINC000343339623 403546470 /nfs/dbraw/zinc/54/64/70/403546470.db2.gz MZRVOXIGRAHUIN-INIZCTEOSA-N 0 0 304.390 2.063 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](COC)C1CC1 ZINC000286816844 403546732 /nfs/dbraw/zinc/54/67/32/403546732.db2.gz URGVHUMVKGEOCP-IRXDYDNUSA-N 0 0 300.402 2.345 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](c1nccn1C)c1ccccc1F ZINC000286968786 403550256 /nfs/dbraw/zinc/55/02/56/403550256.db2.gz DXQZJEKPCJJFSY-KRWDZBQOSA-N 0 0 323.371 2.428 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@H](C)[C@@H]1C ZINC000287366083 403583834 /nfs/dbraw/zinc/58/38/34/403583834.db2.gz MCRWVVACVNXDSD-ZMSDIMECSA-N 0 0 300.402 2.440 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000346908633 403607708 /nfs/dbraw/zinc/60/77/08/403607708.db2.gz DFUUOQLUQSLARH-IRXDYDNUSA-N 0 0 324.465 2.071 10 30 DEEERN C=CCNC(=O)Cc1noc(-c2ccc(C)nc2OCCC)n1 ZINC000346977803 403609447 /nfs/dbraw/zinc/60/94/47/403609447.db2.gz WZBWVXGJZWQRJU-UHFFFAOYSA-N 0 0 316.361 2.074 10 30 DEEERN C=CCNC(=O)Cc1noc(CC2CC(OC(C)(C)C)C2)n1 ZINC000346996111 403610938 /nfs/dbraw/zinc/61/09/38/403610938.db2.gz VODJXSKNHHBEJM-UHFFFAOYSA-N 0 0 307.394 2.051 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000287654612 403643136 /nfs/dbraw/zinc/64/31/36/403643136.db2.gz JQGNXAQRDYPNNF-ZSEKCTLFSA-N 0 0 301.411 2.264 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@H](C)N1CCc2sccc2C1 ZINC000287712574 403653679 /nfs/dbraw/zinc/65/36/79/403653679.db2.gz VCBXABRWZMNFMB-AWEZNQCLSA-N 0 0 314.454 2.274 10 30 DEEERN Cc1cc(N2CCC(C(=O)N3CCCC3)CC2)c(C#N)c(C)n1 ZINC000301794440 403681168 /nfs/dbraw/zinc/68/11/68/403681168.db2.gz SGFQNWKRAXMFLD-UHFFFAOYSA-N 0 0 312.417 2.409 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@](C)(O)C1 ZINC000288077752 403720418 /nfs/dbraw/zinc/72/04/18/403720418.db2.gz GWTGSGMVVGUICX-AEFFLSMTSA-N 0 0 300.402 2.177 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@](C)(CC)CCO ZINC000288154094 403735981 /nfs/dbraw/zinc/73/59/81/403735981.db2.gz MJPOTYIORHVEOM-FUHWJXTLSA-N 0 0 302.418 2.471 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C)[C@@H]1CO ZINC000288200142 403740669 /nfs/dbraw/zinc/74/06/69/403740669.db2.gz PLHGEPRPFSSDKK-OIISXLGYSA-N 0 0 300.402 2.033 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](C)C[C@H](C)O ZINC000288299361 403744799 /nfs/dbraw/zinc/74/47/99/403744799.db2.gz WHAPCTHXQNVFGJ-YQQAZPJKSA-N 0 0 302.418 2.327 10 30 DEEERN C=CCN1CC[C@H](Nc2ccc(NC(=O)C(C)C)cc2)C1=O ZINC000347849002 403907558 /nfs/dbraw/zinc/90/75/58/403907558.db2.gz ILSASXSHBFDVGJ-HNNXBMFYSA-N 0 0 301.390 2.480 10 30 DEEERN C=CCOc1ccc(CN2CCN3C(=O)N=NC3C2)cc1Cl ZINC000362090835 403926009 /nfs/dbraw/zinc/92/60/09/403926009.db2.gz PFFXATWFOBFOMU-UHFFFAOYSA-N 0 0 320.780 2.218 10 30 DEEERN C=CCNC(=O)CNC(=O)[C@@H](Sc1ccccc1)C(C)C ZINC000347893820 403937587 /nfs/dbraw/zinc/93/75/87/403937587.db2.gz OPCOZCHQQNLDBM-HNNXBMFYSA-N 0 0 306.431 2.222 10 30 DEEERN C=CCNC(=O)CNC(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000347893961 403938070 /nfs/dbraw/zinc/93/80/70/403938070.db2.gz PEEOWVHPIIMDKC-UHFFFAOYSA-N 0 0 315.398 2.151 10 30 DEEERN C=C[C@H](C)NC(=O)N[C@@H](c1nccn1C)c1ccc(OC)cc1 ZINC000362370306 403947496 /nfs/dbraw/zinc/94/74/96/403947496.db2.gz KKZGRCQFVJFXPQ-SWLSCSKDSA-N 0 0 314.389 2.392 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@@H](C)[C@@H]1CC ZINC000289519634 403982877 /nfs/dbraw/zinc/98/28/77/403982877.db2.gz CESSUGVMEMGJAA-RDBSUJKOSA-N 0 0 306.410 2.177 10 30 DEEERN CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)CC(C)(C)C#N ZINC000362733566 403985431 /nfs/dbraw/zinc/98/54/31/403985431.db2.gz KECGOSRUYCVNOZ-LBPRGKRZSA-N 0 0 312.410 2.179 10 30 DEEERN Cc1ncc(S(=O)(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1C#N ZINC000314799785 404001834 /nfs/dbraw/zinc/00/18/34/404001834.db2.gz WXMGMTXJUYRHTF-COPLHBTASA-N 0 0 307.419 2.365 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCc2ccccc21 ZINC000289864545 404004774 /nfs/dbraw/zinc/00/47/74/404004774.db2.gz YQFVZTBBXIVGEL-HNNXBMFYSA-N 0 0 312.373 2.246 10 30 DEEERN C=C[C@H](C)NC(=O)CCn1cnc2sc(C)c(C)c2c1=O ZINC000362587243 403969795 /nfs/dbraw/zinc/96/97/95/403969795.db2.gz KIPFEVYXDXWMGZ-VIFPVBQESA-N 0 0 305.403 2.156 10 30 DEEERN C#Cc1ccc(CNC(=O)[C@H]2CCCCN2C(=O)CCC)cc1 ZINC000295534062 403977380 /nfs/dbraw/zinc/97/73/80/403977380.db2.gz ROWPXDSLSZVHDP-QGZVFWFLSA-N 0 0 312.413 2.465 10 30 DEEERN CC1(C#N)CCN(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000369409874 404082819 /nfs/dbraw/zinc/08/28/19/404082819.db2.gz UOTRAMWOUKBMJF-CJNGLKHVSA-N 0 0 323.462 2.376 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N(c2cccc([C@H](C)OC)c2)C1=O ZINC000348647615 404086063 /nfs/dbraw/zinc/08/60/63/404086063.db2.gz QMMHQHIXXXJVET-FZMZJTMJSA-N 0 0 304.346 2.021 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N(CC)C3CCC3)cc2C1=O ZINC000348316477 404057742 /nfs/dbraw/zinc/05/77/42/404057742.db2.gz ILFAYKDWWOZRAM-UHFFFAOYSA-N 0 0 312.369 2.483 10 30 DEEERN Cc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Cl ZINC000363080210 404064370 /nfs/dbraw/zinc/06/43/70/404064370.db2.gz WUIHXBIZKBTDAE-AWEZNQCLSA-N 0 0 303.793 2.461 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)C[C@@H]3CCCCO3)C2)n1 ZINC000328612138 404113812 /nfs/dbraw/zinc/11/38/12/404113812.db2.gz OAMIHRUPGKOLDK-KBPBESRZSA-N 0 0 320.393 2.224 10 30 DEEERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cc(OC)no2)cn1 ZINC000328623143 404117802 /nfs/dbraw/zinc/11/78/02/404117802.db2.gz IXVVEUDWJQFVIQ-SMDDNHRTSA-N 0 0 320.349 2.125 10 30 DEEERN COc1ncccc1CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000328642236 404122594 /nfs/dbraw/zinc/12/25/94/404122594.db2.gz YIIOLADVTINHPT-TZMCWYRMSA-N 0 0 316.361 2.058 10 30 DEEERN C[C@H](CNC(=O)C[C@H]1CCCCC(=O)N1)CN1CCOCC1 ZINC000328644484 404122842 /nfs/dbraw/zinc/12/28/42/404122842.db2.gz GQDRYONKEWXMMF-ZIAGYGMSSA-N 0 0 311.426 2.200 10 30 DEEERN Cc1ccc(NC(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)cn1 ZINC000328639255 404122952 /nfs/dbraw/zinc/12/29/52/404122952.db2.gz WUUZHFGDIPTQMG-LSDHHAIUSA-N 0 0 315.377 2.179 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N(CC)C1CCCC1 ZINC000290538544 404211074 /nfs/dbraw/zinc/21/10/74/404211074.db2.gz XSJGUDXPPSTDPD-CQSZACIVSA-N 0 0 306.410 2.321 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)[C@H]1CCSC1)CCC2 ZINC000328875121 404164675 /nfs/dbraw/zinc/16/46/75/404164675.db2.gz RWQQPRSTGJUFET-STQMWFEESA-N 0 0 308.451 2.420 10 30 DEEERN C=CCN(CC=C)S(=O)(=O)c1ccccc1Cn1ccnc1 ZINC000349459920 404167445 /nfs/dbraw/zinc/16/74/45/404167445.db2.gz YYWYRBPESVBQLQ-UHFFFAOYSA-N 0 0 317.414 2.294 10 30 DEEERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328890513 404169688 /nfs/dbraw/zinc/16/96/88/404169688.db2.gz RSKZFGFRGRYIAS-ARFHVFGLSA-N 0 0 318.421 2.137 10 30 DEEERN C=CCNC(=O)CN1CCN(C/C(C)=C/c2ccccc2)CC1 ZINC000349730066 404178649 /nfs/dbraw/zinc/17/86/49/404178649.db2.gz NUWMVQBFXVLOAP-SAPNQHFASA-N 0 0 313.445 2.010 10 30 DEEERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NC[C@H]1CCCCC(F)(F)C1 ZINC000329166996 404250878 /nfs/dbraw/zinc/25/08/78/404250878.db2.gz IFBHFGHPGXHHBE-RWMBFGLXSA-N 0 0 318.364 2.140 10 30 DEEERN C#Cc1ccc(CNC(=O)N[C@H]2CCCc3c2cnn3C)cc1 ZINC000296490881 404272991 /nfs/dbraw/zinc/27/29/91/404272991.db2.gz YACCTULRXAFKIT-INIZCTEOSA-N 0 0 308.385 2.278 10 30 DEEERN CN(C(=O)Nc1csc(-c2ccccn2)n1)[C@H]1CCOC1 ZINC000329440665 404337167 /nfs/dbraw/zinc/33/71/67/404337167.db2.gz MYCRETZPLTZRLX-JTQLQIEISA-N 0 0 304.375 2.471 10 30 DEEERN C[C@@H]1C[C@@H](CNS(=O)(=O)CC2(C#N)CCCC2)C[C@H](C)O1 ZINC000329449660 404340427 /nfs/dbraw/zinc/34/04/27/404340427.db2.gz CJUQRPIFTLWDJY-BTTYYORXSA-N 0 0 314.451 2.193 10 30 DEEERN Cc1ccc2c(c1)CC[C@@H](C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C)O2 ZINC000329588996 292311345 /nfs/dbraw/zinc/31/13/45/292311345.db2.gz NDIIIDDFRILIPM-LNSITVRQSA-N 0 0 323.414 2.078 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000355564889 404349472 /nfs/dbraw/zinc/34/94/72/404349472.db2.gz OQWDYXWHIKTPFP-NVXWUHKLSA-N 0 0 307.365 2.361 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(C(=O)c2cccnc2)C1 ZINC000364059414 404302427 /nfs/dbraw/zinc/30/24/27/404302427.db2.gz WZDJGIBUESOARX-ZFWWWQNUSA-N 0 0 301.390 2.015 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000412603767 404369820 /nfs/dbraw/zinc/36/98/20/404369820.db2.gz QXYWOSYEOQUJME-BMFZPTHFSA-N 0 0 300.402 2.316 10 30 DEEERN COc1cnccc1[C@H](C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329556971 404374476 /nfs/dbraw/zinc/37/44/76/404374476.db2.gz HNRKORUIOIVFDJ-HTTKSJEASA-N 0 0 306.362 2.159 10 30 DEEERN N#CC1(c2ccc(C(=O)N3CCC(F)(F)[C@H](CO)C3)cc2)CC1 ZINC000291319028 404379465 /nfs/dbraw/zinc/37/94/65/404379465.db2.gz SLGLIFNLLCIWTF-AWEZNQCLSA-N 0 0 320.339 2.331 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000291499126 404404537 /nfs/dbraw/zinc/40/45/37/404404537.db2.gz HGYZVYMZYMVPPI-RDTXWAMCSA-N 0 0 317.433 2.253 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000291499108 404404589 /nfs/dbraw/zinc/40/45/89/404404589.db2.gz HGYZVYMZYMVPPI-KBXCAEBGSA-N 0 0 317.433 2.253 10 30 DEEERN C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2CCC[C@H]21 ZINC000350729883 404453321 /nfs/dbraw/zinc/45/33/21/404453321.db2.gz OHOLAXARYDFTID-TZMCWYRMSA-N 0 0 317.437 2.371 10 30 DEEERN C=CCn1c(CC(C)(C)C)nnc1N(CC)Cc1cn(C)nn1 ZINC000351174093 404525473 /nfs/dbraw/zinc/52/54/73/404525473.db2.gz XHXMIMOGCNQHHS-UHFFFAOYSA-N 0 0 317.441 2.208 10 30 DEEERN CN(C(=O)NC[C@@H]1CCC2(CCCCC2)O1)[C@@H]1CCNC1=O ZINC000330052959 404539809 /nfs/dbraw/zinc/53/98/09/404539809.db2.gz PVBDQLGHGBVQIQ-QWHCGFSZSA-N 0 0 309.410 2.443 10 30 DEEERN C=CCC1(c2nc([C@H]3CC(=O)N(CCC)C3)no2)CCOCC1 ZINC000351296005 404545977 /nfs/dbraw/zinc/54/59/77/404545977.db2.gz APROLLJVOQTYMC-ZDUSSCGKSA-N 0 0 319.405 2.420 10 30 DEEERN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CCO[C@H](C2CC2)C1 ZINC000330121821 404558118 /nfs/dbraw/zinc/55/81/18/404558118.db2.gz GZXNUQKCMBFQAG-PMPSAXMXSA-N 0 0 310.438 2.462 10 30 DEEERN Cc1ccc2c(c1)CC[C@H](C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C)O2 ZINC000329588997 292316339 /nfs/dbraw/zinc/31/63/39/292316339.db2.gz NDIIIDDFRILIPM-NJZAAPMLSA-N 0 0 323.414 2.078 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000330128116 404560350 /nfs/dbraw/zinc/56/03/50/404560350.db2.gz DLMBYQZORJOSTM-YRGRVCCFSA-N 0 0 307.394 2.412 10 30 DEEERN C=CCOCc1nc([C@H](C)n2cc(Br)cn2)no1 ZINC000351378392 404567766 /nfs/dbraw/zinc/56/77/66/404567766.db2.gz ICCAYEDEMCYGLX-QMMMGPOBSA-N 0 0 313.155 2.341 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C3CC3)C2)C12CCC2 ZINC000330183189 404576516 /nfs/dbraw/zinc/57/65/16/404576516.db2.gz PPZRRMSWJSWBOW-SOUVJXGZSA-N 0 0 308.422 2.359 10 30 DEEERN C[C@H]1OCC[C@H]1NC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000330273011 404609258 /nfs/dbraw/zinc/60/92/58/404609258.db2.gz YNZMLFWRKSHYNX-AQGHMYMLSA-N 0 0 310.438 2.339 10 30 DEEERN C=CC[C@@H](C)NC(=O)c1nc2ccc(Br)cn2n1 ZINC000414397702 404612124 /nfs/dbraw/zinc/61/21/24/404612124.db2.gz IDNMRELBHZQVCC-MRVPVSSYSA-N 0 0 309.167 2.186 10 30 DEEERN C=C(C)Cn1c(C2CC2)nnc1N(C[C@@H]1CCC(=O)N1)C(C)C ZINC000414541965 404672910 /nfs/dbraw/zinc/67/29/10/404672910.db2.gz QTGRELABZOIXED-AWEZNQCLSA-N 0 0 317.437 2.225 10 30 DEEERN C=CCSCCNC(=O)c1noc(-c2cccc(OC)c2)n1 ZINC000357296684 404731841 /nfs/dbraw/zinc/73/18/41/404731841.db2.gz DXLTWNCTTJDKNQ-UHFFFAOYSA-N 0 0 319.386 2.394 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)Cc2ccccc2)C1=O ZINC000357645578 404740641 /nfs/dbraw/zinc/74/06/41/404740641.db2.gz FCFKZJIHIUPUHO-GDBMZVCRSA-N 0 0 300.402 2.111 10 30 DEEERN C=CCOc1cccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000357963133 404749787 /nfs/dbraw/zinc/74/97/87/404749787.db2.gz GWBRPSKXCOAVSK-UHFFFAOYSA-N 0 0 302.290 2.145 10 30 DEEERN CC(C)(CCC#N)CNC(=O)NC[C@H](CO)c1ccccc1 ZINC000358707596 404772478 /nfs/dbraw/zinc/77/24/78/404772478.db2.gz LXIBWTSWZMKWJT-OAHLLOKOSA-N 0 0 303.406 2.392 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N1CCCC[C@H]1CCS(C)(=O)=O ZINC000366175447 404767571 /nfs/dbraw/zinc/76/75/71/404767571.db2.gz ZQJJIBBJLSOMCD-KGLIPLIRSA-N 0 0 316.467 2.340 10 30 DEEERN C[C@H](C(=O)N1CCC(C)(C#N)CC1)n1nnc(-c2ccccc2)n1 ZINC000356967107 404723109 /nfs/dbraw/zinc/72/31/09/404723109.db2.gz DYEKTWBVXYDNOY-CYBMUJFWSA-N 0 0 324.388 2.053 10 30 DEEERN C=CCCCN(C)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000366238667 404777304 /nfs/dbraw/zinc/77/73/04/404777304.db2.gz FBCXTBYHWLULIX-HOTGVXAUSA-N 0 0 309.454 2.237 10 30 DEEERN C=C(C)Cn1c(C2CC2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359116896 404784100 /nfs/dbraw/zinc/78/41/00/404784100.db2.gz QMZYRKQQMQHJOL-OAHLLOKOSA-N 0 0 301.438 2.405 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(C#N)cn1C ZINC000353350739 404809920 /nfs/dbraw/zinc/80/99/20/404809920.db2.gz JAMMWNFLCZPIHL-UHFFFAOYSA-N 0 0 313.357 2.201 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)NC1CCN(C(=O)C(C)C)CC1 ZINC000360137612 404819553 /nfs/dbraw/zinc/81/95/53/404819553.db2.gz VNBFWGOEQOJHBI-HNNXBMFYSA-N 0 0 307.438 2.384 10 30 DEEERN C=C(C)[C@@H](CC(=O)N[C@@](C)(c1noc(C)n1)C1CC1)OCC ZINC000353430410 404828970 /nfs/dbraw/zinc/82/89/70/404828970.db2.gz AGPLOISWRXCOHK-CZUORRHYSA-N 0 0 307.394 2.491 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCCc1cnc(C2CC2)nc1 ZINC000353625746 404889700 /nfs/dbraw/zinc/88/97/00/404889700.db2.gz WERXXURKPXOJPC-KRWDZBQOSA-N 0 0 303.406 2.242 10 30 DEEERN C=CCN(CC=C)C(=O)CN1CCOc2cccc(F)c2C1 ZINC000366887072 404864323 /nfs/dbraw/zinc/86/43/23/404864323.db2.gz UPFDAKRPAMWRFQ-UHFFFAOYSA-N 0 0 304.365 2.221 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000424104591 405007273 /nfs/dbraw/zinc/00/72/73/405007273.db2.gz HJNHTOYQNOHRQT-ZFWWWQNUSA-N 0 0 318.373 2.494 10 30 DEEERN C[C@@H]1C[C@H]1N1C[C@@H](Nc2nc3c(cc2C#N)CCCC3)CC1=O ZINC000408051622 405097966 /nfs/dbraw/zinc/09/79/66/405097966.db2.gz PZKOIDMNOHDCQT-DIOULYMOSA-N 0 0 310.401 2.253 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1nscc1Br ZINC000404954438 405069192 /nfs/dbraw/zinc/06/91/92/405069192.db2.gz RARJDOJILIPNFQ-POYBYMJQSA-N 0 0 300.181 2.328 10 30 DEEERN Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)CC#N)C1 ZINC000408058636 405101627 /nfs/dbraw/zinc/10/16/27/405101627.db2.gz KXRQEXSILCTPBI-SECBINFHSA-N 0 0 300.284 2.059 10 30 DEEERN C=CCC1(C(=O)Nc2cc(C(N)=O)ccc2F)CCOCC1 ZINC000424599199 405127248 /nfs/dbraw/zinc/12/72/48/405127248.db2.gz WAJXDIPCANQVHS-UHFFFAOYSA-N 0 0 306.337 2.236 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000361509128 405108476 /nfs/dbraw/zinc/10/84/76/405108476.db2.gz AFGPBFSCMYMEKF-CRAIPNDOSA-N 0 0 324.465 2.069 10 30 DEEERN C=CCCn1cc(C(=O)NCCCc2cccc(F)c2)nn1 ZINC000424669388 405144398 /nfs/dbraw/zinc/14/43/98/405144398.db2.gz UPHOQCGPGNPUCV-UHFFFAOYSA-N 0 0 302.353 2.356 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000367759427 405145744 /nfs/dbraw/zinc/14/57/44/405145744.db2.gz GNLGKWLBCABQMI-DLBZAZTESA-N 0 0 322.412 2.201 10 30 DEEERN C=CCC1(C(=O)N(C)CCCn2ccnc2C)CCOCC1 ZINC000424733917 405163395 /nfs/dbraw/zinc/16/33/95/405163395.db2.gz JFOPTASYOFLFSS-UHFFFAOYSA-N 0 0 305.422 2.413 10 30 DEEERN C=CCCn1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)nn1 ZINC000424867017 405200050 /nfs/dbraw/zinc/20/00/50/405200050.db2.gz OWXHOLMPDAQHOB-NUEKZKHPSA-N 0 0 318.421 2.010 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000424919620 405212384 /nfs/dbraw/zinc/21/23/84/405212384.db2.gz XSHYCIHIBVKOIZ-XEGUGMAKSA-N 0 0 307.777 2.351 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCC(=O)c1ccc(Cl)cn1 ZINC000424924317 405213126 /nfs/dbraw/zinc/21/31/26/405213126.db2.gz LNSAJQLODGHCSM-NHYWBVRUSA-N 0 0 322.792 2.405 10 30 DEEERN C=CCCn1cc(C(=O)N2CCCC[C@H](CCOC)C2)nn1 ZINC000424771903 405172842 /nfs/dbraw/zinc/17/28/42/405172842.db2.gz DITUDOYHGHWMQD-CQSZACIVSA-N 0 0 306.410 2.133 10 30 DEEERN C=CCN(C(=O)[C@@H]1CO[C@H](C)C1)c1nc(C(=O)OCC)cs1 ZINC000439106549 405265907 /nfs/dbraw/zinc/26/59/07/405265907.db2.gz IABUDAORERQGGX-MNOVXSKESA-N 0 0 324.402 2.264 10 30 DEEERN C=CCC[C@@H]1NC(=O)N([C@@H](C)c2ccc3c(c2)OCO3)C1=O ZINC000419925786 405272359 /nfs/dbraw/zinc/27/23/59/405272359.db2.gz PFJTWDUYPWVVNB-JQWIXIFHSA-N 0 0 302.330 2.363 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1N1C(=O)[C@H]2c3ccccc3CCN2C1=O ZINC000420014811 405280351 /nfs/dbraw/zinc/28/03/51/405280351.db2.gz KRTGSWWSYIHSRR-OWCLPIDISA-N 0 0 312.369 2.282 10 30 DEEERN C=C(C)CN(CC)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425389884 405283745 /nfs/dbraw/zinc/28/37/45/405283745.db2.gz ZYMOKZMVSVETMM-UHFFFAOYSA-N 0 0 302.465 2.396 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)Oc1cccc(F)c1 ZINC000425439054 405290988 /nfs/dbraw/zinc/29/09/88/405290988.db2.gz BBLMSGRRKDNFED-WWGRRREGSA-N 0 0 322.380 2.483 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CC(C)C)C1CCCC1 ZINC000425910588 405328814 /nfs/dbraw/zinc/32/88/14/405328814.db2.gz WREGNVWEUYMLGD-HOCLYGCPSA-N 0 0 322.449 2.121 10 30 DEEERN C=CCn1cc(CNC(=O)NCC[C@H]2CCC[C@H](C)C2)nn1 ZINC000425447618 405292207 /nfs/dbraw/zinc/29/22/07/405292207.db2.gz HAAOKKQUVMFMEW-UONOGXRCSA-N 0 0 305.426 2.480 10 30 DEEERN C=CCN1CC[C@H](N2CCC[C@H](C)[C@@H]2C(=O)OC(C)(C)C)C1=O ZINC000425505151 405299322 /nfs/dbraw/zinc/29/93/22/405299322.db2.gz ARCSLJOESKLPKM-SOUVJXGZSA-N 0 0 322.449 2.216 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@](C)(OC)c1ccccc1 ZINC000425593229 405305679 /nfs/dbraw/zinc/30/56/79/405305679.db2.gz WJGMDKBABJSLAO-ZVZYQTTQSA-N 0 0 318.417 2.439 10 30 DEEERN CCN(CC(=O)OC)C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000455439841 405410346 /nfs/dbraw/zinc/41/03/46/405410346.db2.gz GEVJLHYGMVVXHX-UHFFFAOYSA-N 0 0 302.374 2.148 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000448689016 405436935 /nfs/dbraw/zinc/43/69/35/405436935.db2.gz DUAXYUZLJAFPMC-CQSZACIVSA-N 0 0 308.385 2.153 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc2c(ccnc2OC)c1 ZINC000455808495 405452806 /nfs/dbraw/zinc/45/28/06/405452806.db2.gz APBPGEQFWAZZAN-ZDUSSCGKSA-N 0 0 301.346 2.302 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(F)c(OC)c(F)c1OC ZINC000455822674 405453900 /nfs/dbraw/zinc/45/39/00/405453900.db2.gz HLFBUJHQGMUILD-MRVPVSSYSA-N 0 0 316.304 2.041 10 30 DEEERN CC(C)C[C@@](C)(C#N)NC(=O)CCc1ccc(C(N)=O)cc1 ZINC000448846499 405455398 /nfs/dbraw/zinc/45/53/98/405455398.db2.gz IKDIAVSOCNXHGZ-KRWDZBQOSA-N 0 0 301.390 2.163 10 30 DEEERN C=CCn1c(N2CCC[C@@](C)(OC)C2)nnc1[C@@]1(C)CCCO1 ZINC000556444526 405481492 /nfs/dbraw/zinc/48/14/92/405481492.db2.gz FJQOZGQAUHSAFS-IAGOWNOFSA-N 0 0 320.437 2.495 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(Cc2nccs2)CC1 ZINC000633296748 405555973 /nfs/dbraw/zinc/55/59/73/405555973.db2.gz IBXBZYIASQIBGR-KGLIPLIRSA-N 0 0 321.446 2.451 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cnn(CC(C)C)c1 ZINC000580447524 405620385 /nfs/dbraw/zinc/62/03/85/405620385.db2.gz JQKINWSKRLEEFC-UHFFFAOYSA-N 0 0 306.410 2.340 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@H]1CCO[C@H]1c1nc(C)no1 ZINC000633411009 405628202 /nfs/dbraw/zinc/62/82/02/405628202.db2.gz XHKXIPSXGACACJ-QWHCGFSZSA-N 0 0 322.409 2.500 10 30 DEEERN C=C(C)CCNC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000459001470 405687678 /nfs/dbraw/zinc/68/76/78/405687678.db2.gz NBQVQFVZZNCWBL-HNNXBMFYSA-N 0 0 301.390 2.400 10 30 DEEERN CC#CC[C@H](CO)NC(=O)c1ccc(C2CCOCC2)cc1 ZINC000633591101 405731729 /nfs/dbraw/zinc/73/17/29/405731729.db2.gz YQKDRTNPSXZIGO-QGZVFWFLSA-N 0 0 301.386 2.085 10 30 DEEERN CC(=O)[C@@H](C)CCCCC(=O)NCC1CCN(CC#N)CC1 ZINC000432187411 405735973 /nfs/dbraw/zinc/73/59/73/405735973.db2.gz PNSNACHVNGAMMC-AWEZNQCLSA-N 0 0 307.438 2.124 10 30 DEEERN C=C[C@@H](O)C(=O)NCCCCc1nc(-c2ccccn2)cs1 ZINC000636153885 405779234 /nfs/dbraw/zinc/77/92/34/405779234.db2.gz BHSDAVSCLOJBHH-CQSZACIVSA-N 0 0 317.414 2.191 10 30 DEEERN C=C[C@@H](O)C(=O)N1CCc2cc(C)cc(Br)c2C1 ZINC000633732517 405813552 /nfs/dbraw/zinc/81/35/52/405813552.db2.gz IIJVHVDSGAXJGX-CYBMUJFWSA-N 0 0 310.191 2.189 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCc2c1cccc2O ZINC000584049648 405814218 /nfs/dbraw/zinc/81/42/18/405814218.db2.gz BHLNHENTKMTCQG-PJODQICGSA-N 0 0 302.374 2.270 10 30 DEEERN C=CCOCC(=O)N[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000633752814 405822044 /nfs/dbraw/zinc/82/20/44/405822044.db2.gz ZEEFKIXYNIOPIM-ZDUSSCGKSA-N 0 0 301.745 2.221 10 30 DEEERN CO[C@](C)(CO)CNc1cc(Br)c(C#N)cc1F ZINC000594587965 405889847 /nfs/dbraw/zinc/88/98/47/405889847.db2.gz CBHPUVKUDSNIML-LBPRGKRZSA-N 0 0 317.158 2.269 10 30 DEEERN C=CCC1(C(=O)N2CCN(c3cncc(OC)c3)CC2)CCC1 ZINC000636276559 405857340 /nfs/dbraw/zinc/85/73/40/405857340.db2.gz WKAWNCRVCNQTTF-UHFFFAOYSA-N 0 0 315.417 2.485 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000434042605 406013504 /nfs/dbraw/zinc/01/35/04/406013504.db2.gz PMWLONNCFTZXRY-WOPDTQHZSA-N 0 0 309.328 2.129 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCc1ccc(F)c(F)c1 ZINC000636626630 406032789 /nfs/dbraw/zinc/03/27/89/406032789.db2.gz VGEOCFLIFNKQOW-UHFFFAOYSA-N 0 0 324.371 2.342 10 30 DEEERN COc1cc(C#N)ccc1NC(=O)NCCc1cc(C)no1 ZINC000562248265 405970002 /nfs/dbraw/zinc/97/00/02/405970002.db2.gz SQOZKZFKYSXVRT-UHFFFAOYSA-N 0 0 300.318 2.228 10 30 DEEERN C=C[C@@](C)(O)C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000634037294 405972103 /nfs/dbraw/zinc/97/21/03/405972103.db2.gz PDVWVBRWVMQFEG-KYEXWDHISA-N 0 0 322.202 2.140 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000562307851 405982117 /nfs/dbraw/zinc/98/21/17/405982117.db2.gz MWLUOTYGLQBISL-CYBMUJFWSA-N 0 0 317.451 2.336 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc(F)c(C)c1 ZINC000636490608 405986847 /nfs/dbraw/zinc/98/68/47/405986847.db2.gz NZHIHOOKWBLWHM-UHFFFAOYSA-N 0 0 306.381 2.469 10 30 DEEERN C=C[C@H](CC(=O)N1C[C@@H](OC)C[C@]1(C)CO)c1ccccc1 ZINC000634065886 405989637 /nfs/dbraw/zinc/98/96/37/405989637.db2.gz FAJUOVGSXPGFJN-UWWQBHOKSA-N 0 0 303.402 2.345 10 30 DEEERN C=CCCOCCCCC(=O)Nc1cnc(C)c(C(N)=O)c1 ZINC000634115912 406008077 /nfs/dbraw/zinc/00/80/77/406008077.db2.gz QDTPEALBTGHMFE-UHFFFAOYSA-N 0 0 305.378 2.190 10 30 DEEERN CC#CCN(C)C(=O)Nc1ccc(F)cc1N1CCOCC1 ZINC000459697293 406008955 /nfs/dbraw/zinc/00/89/55/406008955.db2.gz MFNQTCNMPNDLSU-UHFFFAOYSA-N 0 0 305.353 2.149 10 30 DEEERN C=CCCCCCNC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000566570780 406089754 /nfs/dbraw/zinc/08/97/54/406089754.db2.gz UCJQBKHLJQOPIU-UONOGXRCSA-N 0 0 316.467 2.388 10 30 DEEERN C=CCn1c(COCCOC)nnc1N1CC2(CCC2)C[C@@H]1C ZINC000634338794 406104770 /nfs/dbraw/zinc/10/47/70/406104770.db2.gz NINRKYVOOMVICR-AWEZNQCLSA-N 0 0 320.437 2.396 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1CCc2c1cccc2O ZINC000636660672 406045124 /nfs/dbraw/zinc/04/51/24/406045124.db2.gz YDGDCAZJSUWPEN-CQSZACIVSA-N 0 0 316.401 2.214 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1C[C@@H](C)C[C@H]1C ZINC000562787737 406055726 /nfs/dbraw/zinc/05/57/26/406055726.db2.gz LKNDGTPWPCNXIY-NWDGAFQWSA-N 0 0 315.425 2.193 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N(C)CCc1ccccc1OC ZINC000459827396 406058483 /nfs/dbraw/zinc/05/84/83/406058483.db2.gz YHCIOZFWMATTLC-UHFFFAOYSA-N 0 0 318.417 2.121 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CO)[C@H]1C ZINC000563371425 406060228 /nfs/dbraw/zinc/06/02/28/406060228.db2.gz GZEZSTVNLAVKQW-QLFBSQMISA-N 0 0 320.437 2.303 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)Cc1ccncc1 ZINC000636755443 406072912 /nfs/dbraw/zinc/07/29/12/406072912.db2.gz BNHBQWQCTUOKQC-CQSZACIVSA-N 0 0 317.433 2.237 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000636754927 406073175 /nfs/dbraw/zinc/07/31/75/406073175.db2.gz YZEVRDWSHOYOPV-ZDUSSCGKSA-N 0 0 310.438 2.169 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000460004548 406073413 /nfs/dbraw/zinc/07/34/13/406073413.db2.gz AYCQBMWZXPWXFW-INIZCTEOSA-N 0 0 318.392 2.394 10 30 DEEERN C=CCn1c(COCCOC)nnc1N1CCCCC[C@@H]1C ZINC000634339031 406105972 /nfs/dbraw/zinc/10/59/72/406105972.db2.gz UXNPPBJXFIQKPX-AWEZNQCLSA-N 0 0 308.426 2.396 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCCc1nc(C)c(C)s1 ZINC000567627237 406108305 /nfs/dbraw/zinc/10/83/05/406108305.db2.gz ITCLPBRFWZJAKM-UHFFFAOYSA-N 0 0 323.462 2.281 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000636881288 406111608 /nfs/dbraw/zinc/11/16/08/406111608.db2.gz AEKMVUWHIIPAPF-RBSFLKMASA-N 0 0 322.449 2.169 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C)[C@](C)(OC)C1CC1 ZINC000636962015 406134605 /nfs/dbraw/zinc/13/46/05/406134605.db2.gz CAIVTMDXYRIVNI-PXAZEXFGSA-N 0 0 310.438 2.025 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(CC)C[C@H]1CCCO1 ZINC000632447521 406142111 /nfs/dbraw/zinc/14/21/11/406142111.db2.gz ORHZYKYUAYGWET-CQSZACIVSA-N 0 0 310.438 2.123 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1c[nH]c(=O)s1 ZINC000632544285 406176781 /nfs/dbraw/zinc/17/67/81/406176781.db2.gz BFKALXYCMUIWRS-VHSXEESVSA-N 0 0 302.421 2.262 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)CC1(N(C)C)CC1 ZINC000632544473 406177759 /nfs/dbraw/zinc/17/77/59/406177759.db2.gz HCLYLYDILYUISL-ZIAGYGMSSA-N 0 0 300.468 2.135 10 30 DEEERN C=CCCCCCNC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000519420885 406198940 /nfs/dbraw/zinc/19/89/40/406198940.db2.gz SVKZYPKCLKHGIZ-OLZOCXBDSA-N 0 0 304.456 2.196 10 30 DEEERN CC(=O)c1ccc(F)cc1OC[C@H](O)CC1(C#N)CCOCC1 ZINC000634647251 406205564 /nfs/dbraw/zinc/20/55/64/406205564.db2.gz UIEHHTGJJGPSSK-CQSZACIVSA-N 0 0 321.348 2.478 10 30 DEEERN C=CC1CCN(C(=O)NCc2c3c(nn2C)CCCC3)CC1 ZINC000569299358 406232741 /nfs/dbraw/zinc/23/27/41/406232741.db2.gz SCVZHIAJBNBXGV-UHFFFAOYSA-N 0 0 302.422 2.407 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCCC[C@@H]1C[C@H](C)O ZINC000569018643 406223185 /nfs/dbraw/zinc/22/31/85/406223185.db2.gz CBCXTWMSURAKFY-LSDHHAIUSA-N 0 0 310.438 2.001 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC2(CCOCC2)[C@@H]1C(C)C ZINC000569234187 406225701 /nfs/dbraw/zinc/22/57/01/406225701.db2.gz URALSFJPITUUEU-JYJNAYRXSA-N 0 0 322.449 2.424 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000637479085 406323666 /nfs/dbraw/zinc/32/36/66/406323666.db2.gz PXJPYWHMVFQVCQ-GCOQZVFPSA-N 0 0 320.820 2.462 10 30 DEEERN CC#CC[C@H](CO)NC(=O)NCc1ccsc1C(F)(F)F ZINC000637591549 406357913 /nfs/dbraw/zinc/35/79/13/406357913.db2.gz CYUIXEKYRIZLIO-SNVBAGLBSA-N 0 0 320.336 2.340 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCc1ccccc1C(F)(F)F ZINC000539786451 406296477 /nfs/dbraw/zinc/29/64/77/406296477.db2.gz JDKSQMKZQAOZMU-GFCCVEGCSA-N 0 0 316.323 2.484 10 30 DEEERN C=CC1CCN(C(=O)NCCCc2nnc3ccccn32)CC1 ZINC000489520016 406415652 /nfs/dbraw/zinc/41/56/52/406415652.db2.gz NMAGMSBQYAFHRC-UHFFFAOYSA-N 0 0 313.405 2.270 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1nc(C(F)(F)F)nc2nc[nH]c21 ZINC000571160290 406484816 /nfs/dbraw/zinc/48/48/16/406484816.db2.gz RIXWNCZNIGCVJZ-YUMQZZPRSA-N 0 0 313.283 2.326 10 30 DEEERN Cc1cc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)c(C#N)cn1 ZINC000571160241 406485342 /nfs/dbraw/zinc/48/53/42/406485342.db2.gz NEDKIWHYJKVKSR-CQSZACIVSA-N 0 0 313.361 2.346 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1ccc(C)c(C)n1 ZINC000570740127 406433835 /nfs/dbraw/zinc/43/38/35/406433835.db2.gz ZDJWUERHJLSRQJ-UHFFFAOYSA-N 0 0 303.406 2.177 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC(n2ccnc2)C1 ZINC000524401153 406447125 /nfs/dbraw/zinc/44/71/25/406447125.db2.gz SEWOVNDATSDTRA-KRWDZBQOSA-N 0 0 324.384 2.242 10 30 DEEERN C=C(C)CNC(=O)CCn1cnc2sc(C)c(C)c2c1=O ZINC000490043422 406448502 /nfs/dbraw/zinc/44/85/02/406448502.db2.gz KPQZWYSEHAFDTE-UHFFFAOYSA-N 0 0 305.403 2.157 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(OC)cc1F ZINC000572871664 406757033 /nfs/dbraw/zinc/75/70/33/406757033.db2.gz MOCJQSLMGKZTHM-WFASDCNBSA-N 0 0 308.353 2.225 10 30 DEEERN CC(C)[C@@H](CO)CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000553748933 406772696 /nfs/dbraw/zinc/77/26/96/406772696.db2.gz DWEFUUFNRIIEJC-WBVHZDCISA-N 0 0 318.417 2.342 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)c1ccncc1OC ZINC000572695862 406720269 /nfs/dbraw/zinc/72/02/69/406720269.db2.gz TUNYGMBRVMETKG-BNOWGMLFSA-N 0 0 305.378 2.184 10 30 DEEERN CC(=O)c1cccc(CNS(=O)(=O)CC2(C#N)CCC2)c1 ZINC000573934383 406778318 /nfs/dbraw/zinc/77/83/18/406778318.db2.gz VYNFZWUSUKPWRR-UHFFFAOYSA-N 0 0 306.387 2.002 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1ncc(C(=O)N(C)C)cc1Cl ZINC000574394863 406782698 /nfs/dbraw/zinc/78/26/98/406782698.db2.gz XWYOFNRKVXZSNT-GWCFXTLKSA-N 0 0 309.797 2.440 10 30 DEEERN CCOC(=O)Cc1cc(C#N)c(Br)cc1[N+](=O)[O-] ZINC000575383509 406807961 /nfs/dbraw/zinc/80/79/61/406807961.db2.gz MFEMHDDLFTYPPO-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN CCOC(=O)Cc1c(C#N)c(C=O)ccc1OC(F)(F)F ZINC000575390853 406808737 /nfs/dbraw/zinc/80/87/37/406808737.db2.gz GKCDTAKTRXGUGC-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN CCOC(=O)Cc1cc(OC(F)(F)F)c(C#N)cc1[N+](=O)[O-] ZINC000575395873 406809080 /nfs/dbraw/zinc/80/90/80/406809080.db2.gz UFVQLVQFORIWQY-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN CCOC(=O)Cc1c([N+](=O)[O-])ccc(C#N)c1OC(F)(F)F ZINC000575395959 406809894 /nfs/dbraw/zinc/80/98/94/406809894.db2.gz YESHOCUGJMEWPX-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN N#CCc1cc(F)c([N+](=O)[O-])c(I)c1 ZINC000575707227 406821452 /nfs/dbraw/zinc/82/14/52/406821452.db2.gz QIHLNKVGFGNKEC-UHFFFAOYSA-N 0 0 306.034 2.405 10 30 DEEERN CCOc1cc(N)c(CC#N)c(I)c1 ZINC000575717194 406823519 /nfs/dbraw/zinc/82/35/19/406823519.db2.gz CTFKPJGJECWGAY-UHFFFAOYSA-N 0 0 302.115 2.338 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000576222486 406829775 /nfs/dbraw/zinc/82/97/75/406829775.db2.gz SMMCEDHCKSLOPY-AJNGGQMLSA-N 0 0 308.422 2.177 10 30 DEEERN COC(=O)CC[C@H](Cc1ccccc1)Nc1cnc(C#N)cn1 ZINC000128685552 195983560 /nfs/dbraw/zinc/98/35/60/195983560.db2.gz DILUTJAYNXQHLR-CQSZACIVSA-N 0 0 310.357 2.325 10 30 DEEERN CC#CC[C@H](NN)c1ccccc1I ZINC000129370449 196042490 /nfs/dbraw/zinc/04/24/90/196042490.db2.gz YKQFRHJRVOQQRN-NSHDSACASA-N 0 0 300.143 2.209 10 30 DEEERN Cc1cc(C#CCO)cc(C(=O)NC[C@@]2(C)CCCS2)c1 ZINC000131688346 196191307 /nfs/dbraw/zinc/19/13/07/196191307.db2.gz MJQRQVSMRMEBQM-QGZVFWFLSA-N 0 0 303.427 2.354 10 30 DEEERN C#CCOc1ccc(Br)cc1CNOCCOC ZINC000134050843 196356558 /nfs/dbraw/zinc/35/65/58/196356558.db2.gz GKFLYYWHADRXAI-UHFFFAOYSA-N 0 0 314.179 2.129 10 30 DEEERN CN[C@H](C#N)CCOc1cccc([N+](=O)[O-])c1Br ZINC000135175016 196450540 /nfs/dbraw/zinc/45/05/40/196450540.db2.gz YWQLORULERHBQO-QMMMGPOBSA-N 0 0 314.139 2.238 10 30 DEEERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C#N)cc2F)o1 ZINC000135691413 196498366 /nfs/dbraw/zinc/49/83/66/196498366.db2.gz ZTXFLPNSWULPEN-JTQLQIEISA-N 0 0 315.304 2.415 10 30 DEEERN C=CCN(CCO)c1cc(Br)ccc1[C@@H](C)O ZINC000135882161 196506798 /nfs/dbraw/zinc/50/67/98/196506798.db2.gz GTTPBIGCGYFQEP-SNVBAGLBSA-N 0 0 300.196 2.487 10 30 DEEERN C=CCN(C(C)C)S(=O)(=O)c1cc(CO)cc(F)c1F ZINC000138069687 196582265 /nfs/dbraw/zinc/58/22/65/196582265.db2.gz BCDHXZLGQDQUMB-UHFFFAOYSA-N 0 0 305.346 2.042 10 30 DEEERN N#Cc1ccc(C2(C(=O)Nc3cc(C(N)=O)ccc3F)CC2)cc1 ZINC000188278385 225016036 /nfs/dbraw/zinc/01/60/36/225016036.db2.gz FTFJDTZRQSTALD-UHFFFAOYSA-N 0 0 323.327 2.467 10 30 DEEERN N#Cc1ccc(NC(=O)NCc2cc(C(N)=O)co2)cc1Cl ZINC000188386813 225018776 /nfs/dbraw/zinc/01/87/76/225018776.db2.gz YTXBWFYFUWPHMG-UHFFFAOYSA-N 0 0 318.720 2.225 10 30 DEEERN C[C@@H](CC(=O)N[C@H](C#N)C1CCCCC1)N1CCCCC1=O ZINC000189213713 225047599 /nfs/dbraw/zinc/04/75/99/225047599.db2.gz IJTGRYMSOXDNNV-DZGCQCFKSA-N 0 0 305.422 2.366 10 30 DEEERN N#C[C@H](NC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000189375210 225050505 /nfs/dbraw/zinc/05/05/05/225050505.db2.gz VQQSSDRGCNFRBC-QWHCGFSZSA-N 0 0 312.291 2.027 10 30 DEEERN C[C@@H](NC(=O)C(C)(C)C#N)C1CCN(CC(F)(F)F)CC1 ZINC000189669956 225059656 /nfs/dbraw/zinc/05/96/56/225059656.db2.gz SIIOSEWGHCDMSC-SNVBAGLBSA-N 0 0 305.344 2.315 10 30 DEEERN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1C[C@@H]1C ZINC000247145314 225231223 /nfs/dbraw/zinc/23/12/23/225231223.db2.gz NDMHBYPBAYPOKD-MDZLAQPJSA-N 0 0 317.414 2.401 10 30 DEEERN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1ccnc(C#N)c1 ZINC000193510087 225161733 /nfs/dbraw/zinc/16/17/33/225161733.db2.gz APIOCQBOFDOFSV-ZDUSSCGKSA-N 0 0 301.309 2.330 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1cn2cccnc2n1 ZINC000193645103 225165754 /nfs/dbraw/zinc/16/57/54/225165754.db2.gz DXMFANYJNCGKHP-UHFFFAOYSA-N 0 0 315.340 2.216 10 30 DEEERN N#Cc1ccc(C(=O)NCC(=O)Nc2ccc3cc[nH]c3c2)cc1 ZINC000194875998 225190874 /nfs/dbraw/zinc/19/08/74/225190874.db2.gz SNNSIMAVHGGZBF-UHFFFAOYSA-N 0 0 318.336 2.408 10 30 DEEERN O=C(C[C@@H]1CCCCC(=O)N1)NCCn1cnnc1C1CC1 ZINC000328648722 225779544 /nfs/dbraw/zinc/77/95/44/225779544.db2.gz ILTIRBOAZUQPDQ-LBPRGKRZSA-N 0 0 305.382 2.401 10 30 DEEERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000328849448 225805580 /nfs/dbraw/zinc/80/55/80/225805580.db2.gz UFDNXLHLRHVRMS-JQAFLVLXSA-N 0 0 320.437 2.039 10 30 DEEERN CCc1nn(C)cc1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000328893912 225812525 /nfs/dbraw/zinc/81/25/25/225812525.db2.gz UQZMWVJKYKCQNR-CABCVRRESA-N 0 0 306.410 2.040 10 30 DEEERN Cc1cc(N2CCC(NC(=O)[C@@H]3[C@@H]4CCCO[C@H]34)CC2)n[nH]1 ZINC000329958447 225950951 /nfs/dbraw/zinc/95/09/51/225950951.db2.gz MOMWZBOBEHNJQP-CFVMTHIKSA-N 0 0 304.394 2.068 10 30 DEEERN C[C@@H]1C[C@@H](CCNC(=O)N2CCC(C#N)(N(C)C)CC2)CCO1 ZINC000330093149 225965640 /nfs/dbraw/zinc/96/56/40/225965640.db2.gz RITJVXYYBRBXQX-CABCVRRESA-N 0 0 322.453 2.025 10 30 DEEERN N#CC[C@@H]1CC[C@H](NS(=O)(=O)C[C@@H]2CCCC2(F)F)C1 ZINC000333052838 226101270 /nfs/dbraw/zinc/10/12/70/226101270.db2.gz GYMYKDVLXLAMIT-SRVKXCTJSA-N 0 0 306.378 2.424 10 30 DEEERN N#CC[C@@H]1CC[C@H](NS(=O)(=O)C[C@H]2CCCC2(F)F)C1 ZINC000333052851 226101326 /nfs/dbraw/zinc/10/13/26/226101326.db2.gz GYMYKDVLXLAMIT-TUAOUCFPSA-N 0 0 306.378 2.424 10 30 DEEERN C[C@@H]1CCC[C@@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000373621155 287404106 /nfs/dbraw/zinc/40/41/06/287404106.db2.gz FIJMOJJCLFLBIY-IIAWOOMASA-N 0 0 304.438 2.337 10 30 DEEERN Cc1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Cl ZINC000363080211 226910099 /nfs/dbraw/zinc/91/00/99/226910099.db2.gz WUIHXBIZKBTDAE-CQSZACIVSA-N 0 0 303.793 2.461 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2ccc3ccccc3c2O)CCN1C1CC1 ZINC000370986064 227061932 /nfs/dbraw/zinc/06/19/32/227061932.db2.gz QIQZLRMYRBMIKX-OAHLLOKOSA-N 0 0 321.380 2.358 10 30 DEEERN N#C[C@H]1CN(C(=O)c2ccc(OC(F)F)cc2)CCN1C1CC1 ZINC000370983675 227062451 /nfs/dbraw/zinc/06/24/51/227062451.db2.gz BQYNCPWBEZPLOJ-ZDUSSCGKSA-N 0 0 321.327 2.100 10 30 DEEERN N#C[C@H]1CN(C(=O)[C@@H](c2ccccc2)C2CC2)CCN1C1CC1 ZINC000371373817 227070143 /nfs/dbraw/zinc/07/01/43/227070143.db2.gz BJXFHGURRCSVCZ-ROUUACIJSA-N 0 0 309.413 2.379 10 30 DEEERN Cc1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1Cl ZINC000371959156 227080649 /nfs/dbraw/zinc/08/06/49/227080649.db2.gz JHNZNUXZELMXHG-CQSZACIVSA-N 0 0 303.793 2.461 10 30 DEEERN C=C[C@](C)(O)CC(=O)NC1CCN(c2ccccc2OC)CC1 ZINC000290331422 221580366 /nfs/dbraw/zinc/58/03/66/221580366.db2.gz HLPBIGJPWMHQQR-SFHVURJKSA-N 0 0 318.417 2.107 10 30 DEEERN C=CCN(CCc1ccco1)S(=O)(=O)CC(C)(C)OC ZINC000290770814 221908873 /nfs/dbraw/zinc/90/88/73/221908873.db2.gz OKSCZMLXRRRQGU-UHFFFAOYSA-N 0 0 301.408 2.065 10 30 DEEERN N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000407996492 227226205 /nfs/dbraw/zinc/22/62/05/227226205.db2.gz FMVARWNKXXWSBX-PRHODGIISA-N 0 0 302.758 2.450 10 30 DEEERN C[C@H](N[C@H]1CCC[C@@H]1C#N)C(=O)N1CCc2sccc2C1 ZINC000408200022 227229387 /nfs/dbraw/zinc/22/93/87/227229387.db2.gz YSMAXTQTMZNKBI-SCRDCRAPSA-N 0 0 303.431 2.303 10 30 DEEERN N#Cc1cccc(Cl)c1N1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299741163 229376972 /nfs/dbraw/zinc/37/69/72/229376972.db2.gz DFVPEOVWLUTUIX-RKDXNWHRSA-N 0 0 317.698 2.312 10 30 DEEERN Cn1ccnc1C[C@H](Nc1ccc(C#N)nn1)c1ccccc1 ZINC000611241160 422474911 /nfs/dbraw/zinc/47/49/11/422474911.db2.gz LZJYKJKRLQZHKB-HNNXBMFYSA-N 0 0 304.357 2.478 10 30 DEEERN CCC(=O)N1CC[C@@H](Nc2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC000619696682 422531795 /nfs/dbraw/zinc/53/17/95/422531795.db2.gz MOUKJGIBUUSOMU-SECBINFHSA-N 0 0 312.295 2.395 10 30 DEEERN COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccn(C)c1C ZINC000195099016 424880004 /nfs/dbraw/zinc/88/00/04/424880004.db2.gz XYFPMWDPZZMZIB-UHFFFAOYSA-N 0 0 311.385 2.494 10 30 DEEERN C=CCCC(C)(C)CNC(=O)Nc1ccn(CCCOC)n1 ZINC000639695086 424858984 /nfs/dbraw/zinc/85/89/84/424858984.db2.gz BULRFOSVLPRMES-UHFFFAOYSA-N 0 0 308.426 3.034 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(-c2cccc(Cl)c2)on1 ZINC000365520712 424860826 /nfs/dbraw/zinc/86/08/26/424860826.db2.gz ZLBMWHMVWDMOOR-GFCCVEGCSA-N 0 0 321.764 3.054 10 30 DEEERN C=CCn1cc(CNc2nc(C)c(CC(C)C)c(C)n2)nn1 ZINC000425264918 424995933 /nfs/dbraw/zinc/99/59/33/424995933.db2.gz RSRZCCIVZYGDOT-UHFFFAOYSA-N 0 0 300.410 2.682 10 30 DEEERN N#Cc1c(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cn2ccccc12 ZINC000078532755 267376779 /nfs/dbraw/zinc/37/67/79/267376779.db2.gz VOXHYCLIRWLVTM-ZIAGYGMSSA-N 0 0 305.337 2.262 10 30 DEEERN C[C@@H](NC(=O)Cc1cccc(C#N)c1)C(=O)Nc1ccccc1 ZINC000530915107 267708810 /nfs/dbraw/zinc/70/88/10/267708810.db2.gz PMXYKVKUJPUYNA-CYBMUJFWSA-N 0 0 307.353 2.244 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)c1 ZINC000516527932 268277797 /nfs/dbraw/zinc/27/77/97/268277797.db2.gz IPTHPHDFXBVETR-UHFFFAOYSA-N 0 0 320.352 2.181 10 30 DEEERN COc1cc(N2CCN([C@H](C)c3ccc(C#N)cc3)CC2)ncn1 ZINC000184063838 274096461 /nfs/dbraw/zinc/09/64/61/274096461.db2.gz UGIIZEVWSBNFBM-CQSZACIVSA-N 0 0 323.400 2.240 10 30 DEEERN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc2c(n1)CCCC2 ZINC000328959777 276846153 /nfs/dbraw/zinc/84/61/53/276846153.db2.gz KEYJZLVLRAIMFU-TZMCWYRMSA-N 0 0 301.390 2.445 10 30 DEEERN CC(C)(C)[C@@H]1C[C@H](NC(=O)N2CCc3cncnc3C2)CCO1 ZINC000328909492 277242133 /nfs/dbraw/zinc/24/21/33/277242133.db2.gz DTAYEQXKCDXJSR-HIFRSBDPSA-N 0 0 318.421 2.342 10 30 DEEERN C=CCCCN(C)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000366238670 277828543 /nfs/dbraw/zinc/82/85/43/277828543.db2.gz FBCXTBYHWLULIX-JKSUJKDBSA-N 0 0 309.454 2.237 10 30 DEEERN CC(C)(C)OC(=O)CCNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187284879 278374265 /nfs/dbraw/zinc/37/42/65/278374265.db2.gz BFKDMDULOHOPCC-UHFFFAOYSA-N 0 0 314.385 2.438 10 30 DEEERN Cc1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(F)cc1F ZINC000364447802 278635504 /nfs/dbraw/zinc/63/55/04/278635504.db2.gz ZNMGSULRMSCQLV-LBPRGKRZSA-N 0 0 305.328 2.086 10 30 DEEERN C[C@@H]1CN(CC(=O)NC2(C#N)CCC2)C[C@H](c2ccccc2)O1 ZINC000364752052 288140532 /nfs/dbraw/zinc/14/05/32/288140532.db2.gz BMVCCUJUSUKHSP-GDBMZVCRSA-N 0 0 313.401 2.011 10 30 DEEERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000048666060 288384778 /nfs/dbraw/zinc/38/47/78/288384778.db2.gz VIQYYHWTFAEEQW-ZJUUUORDSA-N 0 0 314.794 2.010 10 30 DEEERN CCc1nnc(N2C[C@H](COC)OC(C)(C)C2)c(C#N)c1CC ZINC000285085144 288653528 /nfs/dbraw/zinc/65/35/28/288653528.db2.gz PWRMZCMBAGYOPV-GFCCVEGCSA-N 0 0 318.421 2.103 10 30 DEEERN CN(C)c1ccc(S(=O)(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1 ZINC000277482436 289410369 /nfs/dbraw/zinc/41/03/69/289410369.db2.gz MLGWYDUHXRMJDU-HNNXBMFYSA-N 0 0 321.446 2.455 10 30 DEEERN O=C(N[C@@H]1COc2ccccc21)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329584593 295388979 /nfs/dbraw/zinc/38/89/79/295388979.db2.gz XXCAYCNPAOOHKI-JHJVBQTASA-N 0 0 301.346 2.085 10 30 DEEERN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)CCCC#N ZINC000246920242 297164003 /nfs/dbraw/zinc/16/40/03/297164003.db2.gz CXNLRRZLCMARSJ-IIAWOOMASA-N 0 0 322.430 2.470 10 30 DEEERN C[C@H](CC#N)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000373256752 298279151 /nfs/dbraw/zinc/27/91/51/298279151.db2.gz RNTFVXRDOOOIDJ-TUVASFSCSA-N 0 0 313.405 2.032 10 30 DEEERN Cc1c(C(=O)NC2(C#N)CCCC2)cccc1N1CCNC1=O ZINC000173546481 300937684 /nfs/dbraw/zinc/93/76/84/300937684.db2.gz XDXRYWBQNVWLCF-UHFFFAOYSA-N 0 0 312.373 2.091 10 30 DEEERN Cc1nc([C@@H]2CCCCCN2C(=O)c2ccnc(C#N)c2)no1 ZINC000408322533 302621134 /nfs/dbraw/zinc/62/11/34/302621134.db2.gz UVOLWGBGSLVUKT-AWEZNQCLSA-N 0 0 311.345 2.402 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000570674214 332797198 /nfs/dbraw/zinc/79/71/98/332797198.db2.gz HTBXQPABGOZAGW-QXSJWSMHSA-N 0 0 308.422 2.178 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000516910002 331897072 /nfs/dbraw/zinc/89/70/72/331897072.db2.gz AJKZIFHBRRYGER-WCXIOVBPSA-N 0 0 316.401 2.407 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000570224525 332727537 /nfs/dbraw/zinc/72/75/37/332727537.db2.gz WLMJZEALBDTKPR-UHFFFAOYSA-N 0 0 304.346 2.216 10 30 DEEERN CCn1c(C)nnc1CN1C(=O)CS/C1=C/C(=O)C(C)(C)C ZINC000180319838 333160804 /nfs/dbraw/zinc/16/08/04/333160804.db2.gz BPQORGKKCSSQTD-VGOFMYFVSA-N 0 0 322.434 2.138 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(=O)[nH]c1 ZINC000062888381 333340084 /nfs/dbraw/zinc/34/00/84/333340084.db2.gz RLAZRFMIHDNLCR-UHFFFAOYSA-N 0 0 313.313 2.112 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2cnccc2C)CC1 ZINC000337289387 333445473 /nfs/dbraw/zinc/44/54/73/333445473.db2.gz NSPRQHCCAUMOAD-RDJZCZTQSA-N 0 0 315.417 2.020 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CCCCCC1 ZINC000571036027 333483961 /nfs/dbraw/zinc/48/39/61/333483961.db2.gz NVTYKNDFNGTQBD-UHFFFAOYSA-N 0 0 315.425 2.339 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](O)C1CCOCC1 ZINC000571052711 333494388 /nfs/dbraw/zinc/49/43/88/333494388.db2.gz FCDRBINBZWWSPG-SJORKVTESA-N 0 0 303.402 2.078 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc2c(c1O)OC(C)(C)C2 ZINC000563681462 334377548 /nfs/dbraw/zinc/37/75/48/334377548.db2.gz QARGUGBILLKGJY-OLZOCXBDSA-N 0 0 303.358 2.179 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1 ZINC000349508429 335678013 /nfs/dbraw/zinc/67/80/13/335678013.db2.gz XKZXREFCECPMAA-CQSZACIVSA-N 0 0 320.389 2.196 10 30 DEEERN C=C(C)Cn1c(N2CCO[C@H](CF)C2)nnc1[C@@]1(C)CCCO1 ZINC000582168885 335693988 /nfs/dbraw/zinc/69/39/88/335693988.db2.gz DZDTZNCZYODQJE-CZUORRHYSA-N 0 0 324.400 2.055 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000526993385 336278334 /nfs/dbraw/zinc/27/83/34/336278334.db2.gz YJTADGUUNPRAAH-ZSHCYNCHSA-N 0 0 302.374 2.038 10 30 DEEERN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[C@@H]2C)c1 ZINC000357320273 336580383 /nfs/dbraw/zinc/58/03/83/336580383.db2.gz YCKPCJIYSSJOGH-WFASDCNBSA-N 0 0 302.374 2.495 10 30 DEEERN C=CCNC(=O)CN1CCN(Cc2cccc(CCC)c2)CC1 ZINC000360816126 336722966 /nfs/dbraw/zinc/72/29/66/336722966.db2.gz ZFATWVOPTJAMPZ-UHFFFAOYSA-N 0 0 315.461 2.059 10 30 DEEERN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]2C)cc1 ZINC000170825575 337083098 /nfs/dbraw/zinc/08/30/98/337083098.db2.gz RCPSMWUADZPYQX-BXUZGUMPSA-N 0 0 323.418 2.023 10 30 DEEERN C=CCOCCCC(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000173078979 337131984 /nfs/dbraw/zinc/13/19/84/337131984.db2.gz CPGWHQFTVYPDNT-LSDHHAIUSA-N 0 0 313.463 2.482 10 30 DEEERN C#C[C@@H](C)NC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000185319582 337204958 /nfs/dbraw/zinc/20/49/58/337204958.db2.gz HJKLVTSGNWWMFF-PSASIEDQSA-N 0 0 311.307 2.047 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@]1(C)CCO[C@H]1C1CC1 ZINC000582842238 337208051 /nfs/dbraw/zinc/20/80/51/337208051.db2.gz MRWJRKPFCZZJIA-JKQORVJESA-N 0 0 308.422 2.082 10 30 DEEERN C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](O)C1CCOCC1 ZINC000525939530 337288126 /nfs/dbraw/zinc/28/81/26/337288126.db2.gz QCODOGAWANXUKY-KRWDZBQOSA-N 0 0 303.402 2.379 10 30 DEEERN C=CCC1(C(=O)N[C@H]2CCCc3nn(C)cc32)CCOCC1 ZINC000583807842 337335716 /nfs/dbraw/zinc/33/57/16/337335716.db2.gz DGVAWYICRNJOGT-AWEZNQCLSA-N 0 0 303.406 2.287 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)N1CC[C@H](OC(F)F)C1 ZINC000515043285 337978466 /nfs/dbraw/zinc/97/84/66/337978466.db2.gz ZEFLBDDLLCJEEK-LBPRGKRZSA-N 0 0 318.364 2.031 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@H]1C1CCC1 ZINC000516817545 340456499 /nfs/dbraw/zinc/45/64/99/340456499.db2.gz BJSFXSLTQWLWHO-LSDHHAIUSA-N 0 0 318.421 2.321 10 30 DEEERN C=CCCCN(C)C(=O)NCc1n[nH]cc1Br ZINC000523432433 340623849 /nfs/dbraw/zinc/62/38/49/340623849.db2.gz NBRWQPDQUILZOH-UHFFFAOYSA-N 0 0 301.188 2.280 10 30 DEEERN CC[C@H](CC#N)NC(=O)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000128508230 340891474 /nfs/dbraw/zinc/89/14/74/340891474.db2.gz ZDLMVGNNPKUVIQ-DGCLKSJQSA-N 0 0 303.362 2.141 10 30 DEEERN C[C@@H](C(=O)N(CCC#N)Cc1ccccn1)C1CCOCC1 ZINC000130622503 341033940 /nfs/dbraw/zinc/03/39/40/341033940.db2.gz XTZRAYMWXCJFMO-CQSZACIVSA-N 0 0 301.390 2.387 10 30 DEEERN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)NCCCC#N)C1 ZINC000543180815 341035414 /nfs/dbraw/zinc/03/54/14/341035414.db2.gz CAEPOWHKNBHRGS-ZDUSSCGKSA-N 0 0 309.410 2.444 10 30 DEEERN C=CCn1cc(CNC(=O)N[C@H]2c3ccccc3C[C@H]2C)nn1 ZINC000564322745 341217991 /nfs/dbraw/zinc/21/79/91/341217991.db2.gz HRTGIWFOJWSAHM-MLGOLLRUSA-N 0 0 311.389 2.197 10 30 DEEERN N#CC1(C(=O)N2CCN(c3ncccc3Cl)CC2)CCC1 ZINC000134709743 341222477 /nfs/dbraw/zinc/22/24/77/341222477.db2.gz CPTWZFBBVDFKRT-UHFFFAOYSA-N 0 0 304.781 2.077 10 30 DEEERN C=CCn1c(CC)nnc1N1CCO[C@H](c2nc(C)cs2)C1 ZINC000548853292 341278174 /nfs/dbraw/zinc/27/81/74/341278174.db2.gz ANBFBTXTYNXGLW-LBPRGKRZSA-N 0 0 319.434 2.369 10 30 DEEERN C=CCCc1ccccc1NC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000549016190 341283622 /nfs/dbraw/zinc/28/36/22/341283622.db2.gz QKYFPQJCXIIFBP-GASCZTMLSA-N 0 0 302.374 2.437 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000554610829 341459613 /nfs/dbraw/zinc/45/96/13/341459613.db2.gz SYGAVVHKOQKPMB-CXAGYDPISA-N 0 0 317.437 2.084 10 30 DEEERN C=CCn1c(CCCC)nnc1N(C)Cc1cnn(C)c1C ZINC000554626609 341459929 /nfs/dbraw/zinc/45/99/29/341459929.db2.gz QCNCOLWWTPSQLD-UHFFFAOYSA-N 0 0 302.426 2.485 10 30 DEEERN C=CCNC(=O)Nc1ccc(NC(=O)[C@](C)(CC)CO)cc1 ZINC000572897766 341708597 /nfs/dbraw/zinc/70/85/97/341708597.db2.gz WESZZRLQJAMITP-MRXNPFEDSA-N 0 0 305.378 2.341 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccn(C2CCCC2)n1 ZINC000573362488 341726108 /nfs/dbraw/zinc/72/61/08/341726108.db2.gz KXIUPRSSMUVGHN-BBRMVZONSA-N 0 0 318.421 2.389 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cn2cc(C)ccc2n1 ZINC000576102595 341826699 /nfs/dbraw/zinc/82/66/99/341826699.db2.gz KSHGWKOJKDFFAW-ZFWWWQNUSA-N 0 0 314.389 2.033 10 30 DEEERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C#N)C1CC1 ZINC000108830064 534007045 /nfs/dbraw/zinc/00/70/45/534007045.db2.gz BJRMGAIHQRMVLD-RNCFNFMXSA-N 0 0 305.359 2.494 10 30 DEEERN C=C(CC)CNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000454930384 534411365 /nfs/dbraw/zinc/41/13/65/534411365.db2.gz HZRKXHZCBDJWDK-GOEBONIOSA-N 0 0 315.417 2.441 10 30 DEEERN CCC[C@@H](C)CS(=O)(=O)NCCOc1ccc(C#N)cc1 ZINC000173537611 520634911 /nfs/dbraw/zinc/63/49/11/520634911.db2.gz AWXDNHYXFWKYNQ-CYBMUJFWSA-N 0 0 310.419 2.293 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCCNC(=O)[C@H]1C)CCC2 ZINC000329905381 534511474 /nfs/dbraw/zinc/51/14/74/534511474.db2.gz JOCZPXAMCPXAIC-OLZOCXBDSA-N 0 0 319.409 2.034 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000456273292 534570627 /nfs/dbraw/zinc/57/06/27/534570627.db2.gz IBWBKLYIHISIFE-OCCSQVGLSA-N 0 0 320.345 2.457 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1csc2ccccc12 ZINC000453922253 534595760 /nfs/dbraw/zinc/59/57/60/534595760.db2.gz FDDYVPDWEPGFBP-YPMHNXCESA-N 0 0 316.382 2.300 10 30 DEEERN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000374788559 534677331 /nfs/dbraw/zinc/67/73/31/534677331.db2.gz PMICDPPCFYTCEJ-GFCCVEGCSA-N 0 0 313.361 2.212 10 30 DEEERN C[C@H]1CCOCCN1C(=O)CSCc1ccc(C#N)cc1 ZINC000367753618 524317403 /nfs/dbraw/zinc/31/74/03/524317403.db2.gz ZZCJFUDYTJFSPC-ZDUSSCGKSA-N 0 0 304.415 2.429 10 30 DEEERN Cc1csc(N2CCC(C(=O)N3CCC(C#N)CC3)CC2)n1 ZINC000407984831 534824171 /nfs/dbraw/zinc/82/41/71/534824171.db2.gz CWPQOKOSJYFLHW-UHFFFAOYSA-N 0 0 318.446 2.430 10 30 DEEERN C=CCOc1ccc(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)cc1 ZINC000449715214 534883639 /nfs/dbraw/zinc/88/36/39/534883639.db2.gz DQGJNHMYPQIOHD-IAGOWNOFSA-N 0 0 321.442 2.403 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)NCc1ccn(C2CCCC2)n1 ZINC000344999354 526512798 /nfs/dbraw/zinc/51/27/98/526512798.db2.gz RPRTWKMSRCZXBX-UHFFFAOYSA-N 0 0 318.421 2.039 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000283215871 526515396 /nfs/dbraw/zinc/51/53/96/526515396.db2.gz AWCNAAPVWITYIL-INIZCTEOSA-N 0 0 300.402 2.085 10 30 DEEERN C=CCNC(=O)NC(=O)[C@H](C)N1CCC(C)=C(c2ccco2)C1 ZINC000374616935 526607088 /nfs/dbraw/zinc/60/70/88/526607088.db2.gz DBIMYBMFGQTUON-ZDUSSCGKSA-N 0 0 317.389 2.159 10 30 DEEERN C=C(C)CNC(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000441778356 526618999 /nfs/dbraw/zinc/61/89/99/526618999.db2.gz NXCJGLWRDIKAMN-UHFFFAOYSA-N 0 0 300.366 2.031 10 30 DEEERN C=C(C)COCCNC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000135010822 526636479 /nfs/dbraw/zinc/63/64/79/526636479.db2.gz KZEXXLFNERJHGM-AWEZNQCLSA-N 0 0 310.419 2.424 10 30 DEEERN C=C(C)COCCNC(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000413384506 526644045 /nfs/dbraw/zinc/64/40/45/526644045.db2.gz POIPGOXDNCFPPX-OAHLLOKOSA-N 0 0 321.396 2.296 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCOC[C@@H]2C)cc1 ZINC000194095997 526650503 /nfs/dbraw/zinc/65/05/03/526650503.db2.gz JDCPAZNHFQYVSF-SWLSCSKDSA-N 0 0 302.374 2.214 10 30 DEEERN C=C(C)COc1cccc(NC(=O)C(=O)NC2(C(F)F)CC2)c1 ZINC000337712794 526664757 /nfs/dbraw/zinc/66/47/57/526664757.db2.gz DADGPXAZBGCADZ-UHFFFAOYSA-N 0 0 324.327 2.494 10 30 DEEERN C#CCC(CC#C)C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC000288920593 526673651 /nfs/dbraw/zinc/67/36/51/526673651.db2.gz IBFJRGUHSHUBRA-UHFFFAOYSA-N 0 0 314.351 2.040 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000373024636 526673800 /nfs/dbraw/zinc/67/38/00/526673800.db2.gz JWNIRPYAXKTEIS-UHFFFAOYSA-N 0 0 309.344 2.290 10 30 DEEERN C=C(C)CS(=O)(=O)N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000248812786 526680522 /nfs/dbraw/zinc/68/05/22/526680522.db2.gz CKOGJCHFEIKKRP-AAEUAGOBSA-N 0 0 301.433 2.416 10 30 DEEERN C#CCCCCC(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000180451003 526687051 /nfs/dbraw/zinc/68/70/51/526687051.db2.gz GOTTVTVHRDUJSE-GDBMZVCRSA-N 0 0 302.418 2.182 10 30 DEEERN C=CCOCC(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000338047314 526691016 /nfs/dbraw/zinc/69/10/16/526691016.db2.gz FTJYHCYIFNVIGX-UHFFFAOYSA-N 0 0 318.392 2.382 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000341952462 526692022 /nfs/dbraw/zinc/69/20/22/526692022.db2.gz RLEHAAPIUQLTRA-OLZOCXBDSA-N 0 0 324.446 2.456 10 30 DEEERN C#CCCCS(=O)(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000376292437 526718820 /nfs/dbraw/zinc/71/88/20/526718820.db2.gz ZKYNXYSCEXIERP-GDBMZVCRSA-N 0 0 307.415 2.192 10 30 DEEERN C#CCCNC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000369286653 526733001 /nfs/dbraw/zinc/73/30/01/526733001.db2.gz WNGLMEXQQYSOOG-MRXNPFEDSA-N 0 0 304.365 2.304 10 30 DEEERN C#CCCOc1ccc(CN2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000371327376 526741536 /nfs/dbraw/zinc/74/15/36/526741536.db2.gz NGHFGKQVIOYBSN-GOSISDBHSA-N 0 0 309.413 2.261 10 30 DEEERN C=CCOCCNC(=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000371652425 526774837 /nfs/dbraw/zinc/77/48/37/526774837.db2.gz XSKPXQDBSHVOEY-KRWDZBQOSA-N 0 0 318.417 2.344 10 30 DEEERN C=C(CNC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccccc1 ZINC000376689229 526873041 /nfs/dbraw/zinc/87/30/41/526873041.db2.gz ROEDKPHZHVQAIZ-APHBMKBZSA-N 0 0 313.401 2.008 10 30 DEEERN C=CC1CCN(C(=O)NCc2ccnc(-n3ccnc3)c2)CC1 ZINC000377637855 526966874 /nfs/dbraw/zinc/96/68/74/526966874.db2.gz WFLJSZIZBIDPKV-UHFFFAOYSA-N 0 0 311.389 2.375 10 30 DEEERN C=CC[C@@H](CC)NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000337103001 527037425 /nfs/dbraw/zinc/03/74/25/527037425.db2.gz XQCNZTZFAFPONO-GOSISDBHSA-N 0 0 315.461 2.275 10 30 DEEERN C=CCC1(C(=O)N2C[C@@H](CC)O[C@@]3(CCOC3)C2)CCOCC1 ZINC000424809671 527050591 /nfs/dbraw/zinc/05/05/91/527050591.db2.gz IRFJXPCAAOXBEY-QAPCUYQASA-N 0 0 323.433 2.156 10 30 DEEERN C=CCC1(C(=O)N[C@@H](C)C2(OC)CCOCC2)CCOCC1 ZINC000425626696 527056074 /nfs/dbraw/zinc/05/60/74/527056074.db2.gz UJPMDVQEFLAUNZ-AWEZNQCLSA-N 0 0 311.422 2.060 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000338528162 527095724 /nfs/dbraw/zinc/09/57/24/527095724.db2.gz MFYWBTHPEBVBHE-VIFPVBQESA-N 0 0 303.284 2.467 10 30 DEEERN C#CCSCCNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000246349667 527145600 /nfs/dbraw/zinc/14/56/00/527145600.db2.gz MJENQLSAHFVMPB-ARFHVFGLSA-N 0 0 300.427 2.380 10 30 DEEERN C=CC[C@H](CC)NC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000341436173 527152893 /nfs/dbraw/zinc/15/28/93/527152893.db2.gz SDPRSEJHIWLNIP-HIFRSBDPSA-N 0 0 321.396 2.124 10 30 DEEERN C=CCCCCNC(=O)NCCCNC(=O)c1ccccc1 ZINC000351686191 527156064 /nfs/dbraw/zinc/15/60/64/527156064.db2.gz PUFKSAZVQUIEPP-UHFFFAOYSA-N 0 0 303.406 2.462 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCSCC(=O)OC ZINC000286636806 527171047 /nfs/dbraw/zinc/17/10/47/527171047.db2.gz DBYLNZBMLXSXOV-OAHLLOKOSA-N 0 0 319.426 2.034 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC([C@@H]2CCOC2)C1 ZINC000377252984 527172306 /nfs/dbraw/zinc/17/23/06/527172306.db2.gz XKNOXFWSJCLJME-SJLPKXTDSA-N 0 0 312.413 2.299 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCc1nccnc1C ZINC000296618794 527172524 /nfs/dbraw/zinc/17/25/24/527172524.db2.gz MOFDUXTXRRSSLE-QGZVFWFLSA-N 0 0 322.412 2.261 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(CCOC)[C@@H]1CC[C@@H](C)C1 ZINC000410932763 527174557 /nfs/dbraw/zinc/17/45/57/527174557.db2.gz YZFGUNNHXHWHMF-HUUCEWRRSA-N 0 0 310.438 2.075 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000341057523 527178566 /nfs/dbraw/zinc/17/85/66/527178566.db2.gz ZYPRXWRCRJWGET-CQSZACIVSA-N 0 0 308.422 2.019 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](C)CCCc1cccnc1 ZINC000410688413 527178704 /nfs/dbraw/zinc/17/87/04/527178704.db2.gz NFMUIPOHEXIKAW-OAHLLOKOSA-N 0 0 317.433 2.334 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](c1ncc(C)s1)C1CC1 ZINC000359043586 527179074 /nfs/dbraw/zinc/17/90/74/527179074.db2.gz VQOAETPFNLKYMV-ZDUSSCGKSA-N 0 0 321.446 2.443 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc2c(c1)nc(C(F)F)n2C ZINC000337069815 527208041 /nfs/dbraw/zinc/20/80/41/527208041.db2.gz MKGYUJVSILIMFW-SNVBAGLBSA-N 0 0 309.316 2.178 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000442848513 527208118 /nfs/dbraw/zinc/20/81/18/527208118.db2.gz ZHFNRLFBOMRZSJ-SECBINFHSA-N 0 0 314.172 2.308 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccc(Cl)c(NC(C)=O)c1 ZINC000448374690 527209777 /nfs/dbraw/zinc/20/97/77/527209777.db2.gz LABSFWDULAQLAM-UHFFFAOYSA-N 0 0 323.780 2.319 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000448371761 527210673 /nfs/dbraw/zinc/21/06/73/527210673.db2.gz AAOLKDMXERXLQR-UHFFFAOYSA-N 0 0 316.336 2.032 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@H](COC)CC1 ZINC000422316710 527278210 /nfs/dbraw/zinc/27/82/10/527278210.db2.gz CZLRMWVJOCCFDR-GJZGRUSLSA-N 0 0 310.438 2.123 10 30 DEEERN C=CCn1c(C(C)C)nnc1N(C)Cc1nc([C@H](C)OC)no1 ZINC000337769240 527289510 /nfs/dbraw/zinc/28/95/10/527289510.db2.gz CVNFDYNBUTVPTQ-NSHDSACASA-N 0 0 320.397 2.314 10 30 DEEERN C=CCn1c(C(C)C)nnc1N1CCC[C@@H](NC(=O)CCC)C1 ZINC000337819297 527291197 /nfs/dbraw/zinc/29/11/97/527291197.db2.gz QRGHDOWRHBIHND-CQSZACIVSA-N 0 0 319.453 2.473 10 30 DEEERN CC(=O)c1ccc(NC(=O)N[C@@H]2CCN(C(C)=O)C2)cc1Cl ZINC000330815738 527291256 /nfs/dbraw/zinc/29/12/56/527291256.db2.gz OOSNEWOMGYGUEW-GFCCVEGCSA-N 0 0 323.780 2.299 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000339735012 527303913 /nfs/dbraw/zinc/30/39/13/527303913.db2.gz JNVMHBYYNOHYNM-NSHDSACASA-N 0 0 308.353 2.046 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC000337866259 527316515 /nfs/dbraw/zinc/31/65/15/527316515.db2.gz QLOUVOVIOLDCTE-GJZGRUSLSA-N 0 0 322.453 2.293 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N(CCC)CC1CC1 ZINC000289705383 527360147 /nfs/dbraw/zinc/36/01/47/527360147.db2.gz OPINJRQSIJIDHJ-CQSZACIVSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171235299 527372245 /nfs/dbraw/zinc/37/22/45/527372245.db2.gz YEBJNQYHHVOGBD-GXTWGEPZSA-N 0 0 307.394 2.140 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000373881053 527384973 /nfs/dbraw/zinc/38/49/73/527384973.db2.gz LRQXPCLYWOUTHP-XHSDSOJGSA-N 0 0 322.449 2.265 10 30 DEEERN C=C[C@@H](C)NC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000352249397 527408329 /nfs/dbraw/zinc/40/83/29/527408329.db2.gz IZGDADWVQMEZFM-BXKDBHETSA-N 0 0 313.195 2.356 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@@]2(C)CCCC[C@@H]2O)cc1 ZINC000297554810 527436561 /nfs/dbraw/zinc/43/65/61/527436561.db2.gz KDAVQYBAGPOQSN-FUHWJXTLSA-N 0 0 300.402 2.408 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1 ZINC000248039172 527446890 /nfs/dbraw/zinc/44/68/90/527446890.db2.gz SGZPVVMIVXTXOO-RCCFBDPRSA-N 0 0 316.360 2.061 10 30 DEEERN C#Cc1ccccc1CC(=O)N1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000368108948 527461911 /nfs/dbraw/zinc/46/19/11/527461911.db2.gz LTRSBELRLCTZOI-IEBWSBKVSA-N 0 0 313.397 2.007 10 30 DEEERN C#Cc1ccccc1CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000292673703 527462361 /nfs/dbraw/zinc/46/23/61/527462361.db2.gz BEQZTKRLNIHNHZ-XYJFISCASA-N 0 0 311.381 2.011 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1cccc(N(C)C)c1 ZINC000424927427 527493319 /nfs/dbraw/zinc/49/33/19/527493319.db2.gz WMTCDMOHYJTJIP-RDJZCZTQSA-N 0 0 302.418 2.393 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C(=O)OCC)cc1 ZINC000424925873 527498190 /nfs/dbraw/zinc/49/81/90/527498190.db2.gz RDXGPXDXINUBJI-GJZGRUSLSA-N 0 0 303.358 2.184 10 30 DEEERN C/C(=C\C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1cccc(F)c1 ZINC000370974584 527513630 /nfs/dbraw/zinc/51/36/30/527513630.db2.gz UTMLLUZWMAPRGN-VEMDQMBVSA-N 0 0 313.376 2.428 10 30 DEEERN C=C[C@H](CC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccccc1 ZINC000340185350 527578264 /nfs/dbraw/zinc/57/82/64/527578264.db2.gz CBCANGFIBPRNRI-XOSAIJSUSA-N 0 0 312.413 2.472 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCC(NC(=O)C2CCC2)CC1 ZINC000370410016 527615572 /nfs/dbraw/zinc/61/55/72/527615572.db2.gz KVLQGZSAZUFSLA-GOSISDBHSA-N 0 0 322.449 2.123 10 30 DEEERN CCC1(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCCC1 ZINC000363880560 527715186 /nfs/dbraw/zinc/71/51/86/527715186.db2.gz WEXKULBLAAQZCE-OAHLLOKOSA-N 0 0 304.438 2.339 10 30 DEEERN CCC(=O)N1CSC[C@H]1C(=O)NCCC1CCOCC1 ZINC000329345596 528386949 /nfs/dbraw/zinc/38/69/49/528386949.db2.gz QYEYNLPCKWQROH-LBPRGKRZSA-N 0 0 300.424 2.071 10 30 DEEERN CCOC(=O)CN(C(=O)c1ccccc1OCC#N)C(C)(C)C ZINC000193830354 528779110 /nfs/dbraw/zinc/77/91/10/528779110.db2.gz VCQLJAKLALFOGS-UHFFFAOYSA-N 0 0 318.373 2.393 10 30 DEEERN CCC[C@@H](CCO)CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000176157301 528934224 /nfs/dbraw/zinc/93/42/24/528934224.db2.gz KUQOHHQMBVSHCS-KGLIPLIRSA-N 0 0 304.390 2.240 10 30 DEEERN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N1CCO[C@@H](C#N)C1 ZINC000247776366 528949344 /nfs/dbraw/zinc/94/93/44/528949344.db2.gz QSFXSMXHRQLPNZ-RDJZCZTQSA-N 0 0 315.417 2.036 10 30 DEEERN COCCN(CC#N)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000459535895 536807962 /nfs/dbraw/zinc/80/79/62/536807962.db2.gz PCMXWTCKBPWKFF-CYBMUJFWSA-N 0 0 316.323 2.081 10 30 DEEERN COc1ccccc1CC(=O)NCCOc1ccc(C#N)cc1 ZINC000173890992 537019741 /nfs/dbraw/zinc/01/97/41/537019741.db2.gz XUHIFZZWHXGKFT-UHFFFAOYSA-N 0 0 310.353 2.305 10 30 DEEERN C=C[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000187607473 622849252 /nfs/dbraw/zinc/84/92/52/622849252.db2.gz ALHKMNXVJIPWDU-LLVKDONJSA-N 0 0 306.318 2.163 10 30 DEEERN N#C[C@@H](OC(=O)C1CCN(C(=O)c2ccccc2)CC1)C1CC1 ZINC000177034921 625619542 /nfs/dbraw/zinc/61/95/42/625619542.db2.gz KCOYSXXMPMGXHO-MRXNPFEDSA-N 0 0 312.369 2.384 10 30 DEEERN C=CCN1CCC(NS(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000255117228 623468492 /nfs/dbraw/zinc/46/84/92/623468492.db2.gz IXSIOBJDFDFRBZ-UVTDQMKNSA-N 0 0 306.431 2.227 10 30 DEEERN C#CCSCCNS(=O)(=O)c1cccc(Cl)c1C ZINC000151708645 624754691 /nfs/dbraw/zinc/75/46/91/624754691.db2.gz FFBBWQWBWBLONE-UHFFFAOYSA-N 0 0 303.836 2.293 10 30 DEEERN N#Cc1ccncc1NC[C@@H]1CCO[C@@H]1c1nc(C2CC2)no1 ZINC000888078693 625057967 /nfs/dbraw/zinc/05/79/67/625057967.db2.gz MNUAGYUUXFQMIA-JSGCOSHPSA-N 0 0 311.345 2.403 10 30 DEEERN C#CC[C@H](OC(=O)Cc1csc(N2CCCC2=O)n1)C(C)C ZINC000177716617 625067238 /nfs/dbraw/zinc/06/72/38/625067238.db2.gz OSEVKCVBIMCBHC-ZDUSSCGKSA-N 0 0 320.414 2.404 10 30 DEEERN C#CC[C@@H](OC(=O)c1cccc(CS(C)(=O)=O)c1)C(C)C ZINC000177739730 625075189 /nfs/dbraw/zinc/07/51/89/625075189.db2.gz GWPPWOUXJQZWHZ-OAHLLOKOSA-N 0 0 308.399 2.436 10 30 DEEERN Cn1nccc1CCC(=O)[C@H](C#N)c1nc2ccccc2n1C ZINC000122685584 625119804 /nfs/dbraw/zinc/11/98/04/625119804.db2.gz XSPADIJUXHUIAI-ZDUSSCGKSA-N 0 0 307.357 2.116 10 30 DEEERN CC(=O)NCCCn1c(C)csc1=Nc1ccccc1C#N ZINC000255900006 625190672 /nfs/dbraw/zinc/19/06/72/625190672.db2.gz JEMRIVCSEQLQTL-UHFFFAOYSA-N 0 0 314.414 2.488 10 30 DEEERN C#CCCCCC(=O)OCCCc1nc2nc(C)cc(C)n2n1 ZINC000180744356 625223074 /nfs/dbraw/zinc/22/30/74/625223074.db2.gz YFLXHHOMUJAYMD-UHFFFAOYSA-N 0 0 314.389 2.411 10 30 DEEERN CC(C)[C@H](C#N)OC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000176797736 625236365 /nfs/dbraw/zinc/23/63/65/625236365.db2.gz IQMIMAFUYZTULY-KGLIPLIRSA-N 0 0 307.394 2.006 10 30 DEEERN C#CCCNC(=O)Nc1ccc(I)cc1 ZINC000733615654 633248313 /nfs/dbraw/zinc/24/83/13/633248313.db2.gz JDHXLBCSYHDLFD-UHFFFAOYSA-N 0 0 314.126 2.436 10 30 DEEERN C#CC[C@@H](OC(=O)CCOC[C@@H]1CCCO1)c1ccccn1 ZINC000733692960 633266284 /nfs/dbraw/zinc/26/62/84/633266284.db2.gz PPGJMPWSKBRNPF-GOEBONIOSA-N 0 0 303.358 2.275 10 30 DEEERN C=C(COC(=O)Cn1ccc2cc(OC)ccc21)C(=O)OCC ZINC000734026268 633312415 /nfs/dbraw/zinc/31/24/15/633312415.db2.gz ABSNQUSPAYWATG-UHFFFAOYSA-N 0 0 317.341 2.312 10 30 DEEERN C=C(COC(=O)[C@H](C)Oc1ccc(F)c(F)c1)C(=O)OCC ZINC000734029677 633312731 /nfs/dbraw/zinc/31/27/31/633312731.db2.gz UVHIOIHVCBVWAG-JTQLQIEISA-N 0 0 314.284 2.395 10 30 DEEERN C=C(COC(=O)c1cc(-c2cccs2)[nH]n1)C(=O)OCC ZINC000734027813 633313186 /nfs/dbraw/zinc/31/31/86/633313186.db2.gz ZIXQLSZRLMWYRK-UHFFFAOYSA-N 0 0 306.343 2.414 10 30 DEEERN C=C(COC(=O)c1[nH]c(C)c(C(=O)OCC)c1C)C(=O)OCC ZINC000734023275 633316801 /nfs/dbraw/zinc/31/68/01/633316801.db2.gz PRLGCCMGNGBAEN-UHFFFAOYSA-N 0 0 323.345 2.084 10 30 DEEERN C=C(COC(=O)c1cnn(-c2ccccc2)c1)C(=O)OCC ZINC000734025425 633317515 /nfs/dbraw/zinc/31/75/15/633317515.db2.gz PNZYYTVQJNCCJH-UHFFFAOYSA-N 0 0 300.314 2.148 10 30 DEEERN N#C[C@H]1CN(C(=O)C2(c3cccc(F)c3)CC2)CCN1C1CC1 ZINC000734327148 633357382 /nfs/dbraw/zinc/35/73/82/633357382.db2.gz SPTOQBUHIKKXDM-INIZCTEOSA-N 0 0 313.376 2.056 10 30 DEEERN COc1cccc(/C=N/C2CCN(C(=O)C(C)C)CC2)c1O ZINC000026432046 633392841 /nfs/dbraw/zinc/39/28/41/633392841.db2.gz ZQGFGLZRIHBCAL-WOJGMQOQSA-N 0 0 304.390 2.467 10 30 DEEERN N#C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCN1C1CC1 ZINC000734839049 633432667 /nfs/dbraw/zinc/43/26/67/633432667.db2.gz VEVFJMSGWJSCMG-AWEZNQCLSA-N 0 0 320.780 2.420 10 30 DEEERN CC#CCCCC(=O)OC[C@H]1CCCN1c1ccc(C)nn1 ZINC000186312693 634125883 /nfs/dbraw/zinc/12/58/83/634125883.db2.gz OUGFSMWJRNLJBE-OAHLLOKOSA-N 0 0 301.390 2.491 10 30 DEEERN C#CC[C@@H](OC(=O)c1ccc(N2CCOCC2)nc1)C(C)C ZINC000747192376 636426411 /nfs/dbraw/zinc/42/64/11/636426411.db2.gz BWVCQVDBKBBWAO-OAHLLOKOSA-N 0 0 302.374 2.123 10 30 DEEERN C=C(Br)CNC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000726707817 636456753 /nfs/dbraw/zinc/45/67/53/636456753.db2.gz CKMMNFUSFQFFJP-UHFFFAOYSA-N 0 0 313.199 2.207 10 30 DEEERN C=CCOCCCC(=O)Nc1ccc(-n2ccc(=O)cc2)nc1 ZINC000185199925 637591728 /nfs/dbraw/zinc/59/17/28/637591728.db2.gz FJYWQHRVXKKLBK-UHFFFAOYSA-N 0 0 313.357 2.154 10 30 DEEERN C=CCCO[C@@H](C)C(=O)O[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000740237405 637828369 /nfs/dbraw/zinc/82/83/69/637828369.db2.gz HKVCPWXTZAHEJD-SWLSCSKDSA-N 0 0 317.341 2.297 10 30 DEEERN C#CCCNS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000742297583 638058188 /nfs/dbraw/zinc/05/81/88/638058188.db2.gz ULXKTZYNATZRNX-UHFFFAOYSA-N 0 0 323.805 2.136 10 30 DEEERN C[C@H]1CCC[C@@H](CNc2ccc(S(N)(=O)=O)cc2C#N)C1 ZINC000742395767 638067344 /nfs/dbraw/zinc/06/73/44/638067344.db2.gz JYTHKWFRSVOATE-NWDGAFQWSA-N 0 0 307.419 2.444 10 30 DEEERN C=CCOc1ccccc1C=NN1C(=S)N=NC1CCOC ZINC000743445719 638146402 /nfs/dbraw/zinc/14/64/02/638146402.db2.gz DPZWRJKFTGBKTG-UHFFFAOYSA-N 0 0 318.402 2.203 10 30 DEEERN C=CCOc1ccc(C(=O)OCc2cnccn2)cc1OC ZINC000744165802 638198401 /nfs/dbraw/zinc/19/84/01/638198401.db2.gz DFGYMGYKVWUDJW-UHFFFAOYSA-N 0 0 300.314 2.407 10 30 DEEERN C#CCN(CC)C(=O)N[C@H](Cc1nccn1C)c1ccccc1 ZINC000745910533 638298271 /nfs/dbraw/zinc/29/82/71/638298271.db2.gz UFWRSVKAXDHBFF-MRXNPFEDSA-N 0 0 310.401 2.369 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1ccnn1C ZINC000747259817 638424057 /nfs/dbraw/zinc/42/40/57/638424057.db2.gz ZCTDWYGYPARZMS-INIZCTEOSA-N 0 0 313.357 2.439 10 30 DEEERN CC[C@@H](C[C@@H](C)CO)NC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747423661 638436839 /nfs/dbraw/zinc/43/68/39/638436839.db2.gz UHMUFEGAARAENM-DOMZBBRYSA-N 0 0 319.405 2.163 10 30 DEEERN CC(C)[C@H](C#N)OC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000747743704 638472568 /nfs/dbraw/zinc/47/25/68/638472568.db2.gz QQZKGVVXBKGEDQ-HNNXBMFYSA-N 0 0 316.357 2.284 10 30 DEEERN C[C@H]1C(=O)N(Cc2cc(Cl)ccc2OCC#N)C(=O)[C@@H]1C ZINC000747864470 638485619 /nfs/dbraw/zinc/48/56/19/638485619.db2.gz XNMTYDLSTOHYHY-NXEZZACHSA-N 0 0 306.749 2.383 10 30 DEEERN C=CCCOCC(=O)N(CC)C1CN(C(=O)OC(C)(C)C)C1 ZINC000747962066 638494789 /nfs/dbraw/zinc/49/47/89/638494789.db2.gz AETGNAHYUUOGCR-UHFFFAOYSA-N 0 0 312.410 2.047 10 30 DEEERN COc1cccc(NC(=O)COC(=O)Cc2cccc(C#N)c2)c1 ZINC000750431621 638743923 /nfs/dbraw/zinc/74/39/23/638743923.db2.gz UHMUWVMCGIHHCX-UHFFFAOYSA-N 0 0 324.336 2.291 10 30 DEEERN C[C@@H]1CCCCN1C(=O)COC(=O)Cc1cccc(C#N)c1 ZINC000750433380 638744983 /nfs/dbraw/zinc/74/49/83/638744983.db2.gz ZRGDNNOOGCXVJT-CYBMUJFWSA-N 0 0 300.358 2.045 10 30 DEEERN N#Cc1cccc(CC(=O)OCC(=O)N2CCc3ccccc32)c1 ZINC000750433284 638744994 /nfs/dbraw/zinc/74/49/94/638744994.db2.gz XEOGJTMSXSUHJL-UHFFFAOYSA-N 0 0 320.348 2.233 10 30 DEEERN CN(C)C(=O)c1ccccc1OC(=O)Cc1cccc(C#N)c1 ZINC000751318103 639072764 /nfs/dbraw/zinc/07/27/64/639072764.db2.gz OUQIPPIPHGCHDM-UHFFFAOYSA-N 0 0 308.337 2.408 10 30 DEEERN C#CCCCOC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000751539723 639093054 /nfs/dbraw/zinc/09/30/54/639093054.db2.gz DNLORYVXJQCBFD-SECBINFHSA-N 0 0 300.280 2.490 10 30 DEEERN C#Cc1cccc(N(C)C(=O)C(=O)c2cnn(C(C)(C)C)c2)c1 ZINC000728481671 639194756 /nfs/dbraw/zinc/19/47/56/639194756.db2.gz JSRNLVAFBSJVRP-UHFFFAOYSA-N 0 0 309.369 2.465 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000752755081 639216353 /nfs/dbraw/zinc/21/63/53/639216353.db2.gz RXBRXRFBFPDZED-KIWPFMIBSA-N 0 0 304.346 2.299 10 30 DEEERN C#Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)nc1 ZINC000728801677 639406995 /nfs/dbraw/zinc/40/69/95/639406995.db2.gz BNBUKNQSBYQXQR-UHFFFAOYSA-N 0 0 305.337 2.207 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)(C)C ZINC000805148573 639848675 /nfs/dbraw/zinc/84/86/75/639848675.db2.gz FZUGPVRZBGAFOL-SNVBAGLBSA-N 0 0 316.404 2.291 10 30 DEEERN C=CCCCCCCNC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000805190513 640138928 /nfs/dbraw/zinc/13/89/28/640138928.db2.gz QKVMQLDWZOYITA-KFWWJZLASA-N 0 0 307.438 2.431 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@]1(C)CCCO1 ZINC000805192945 640152755 /nfs/dbraw/zinc/15/27/55/640152755.db2.gz OYFYFJSKIZBESV-FUHWJXTLSA-N 0 0 300.402 2.489 10 30 DEEERN COc1ccc(CNC(=O)NC[C@H]2CCOC[C@@H]2C)cc1C#N ZINC000805224271 640305694 /nfs/dbraw/zinc/30/56/94/640305694.db2.gz UBRAEJBJESQGAE-GXTWGEPZSA-N 0 0 317.389 2.039 10 30 DEEERN Cc1nc2ccccc2c(=O)n1N=Cc1cnn2ccccc12 ZINC000729632914 640819058 /nfs/dbraw/zinc/81/90/58/640819058.db2.gz KDQXCKLZIMSKSQ-UHFFFAOYSA-N 0 0 303.325 2.235 10 30 DEEERN C=CCOCC(=O)OCCCc1nc(-c2cccs2)no1 ZINC000729758099 640838679 /nfs/dbraw/zinc/83/86/79/640838679.db2.gz HCHNQLCDWTVCSA-UHFFFAOYSA-N 0 0 308.359 2.477 10 30 DEEERN C=CCOCC(=O)OCCCc1cnc2c(C)c(C)nn2c1 ZINC000729903441 640852718 /nfs/dbraw/zinc/85/27/18/640852718.db2.gz VRSITSDSFUPQKJ-UHFFFAOYSA-N 0 0 303.362 2.025 10 30 DEEERN CC(C)(C)CN(CCC#N)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000104657965 650663919 /nfs/dbraw/zinc/66/39/19/650663919.db2.gz FWHDEVCNDCTFCT-KBPBESRZSA-N 0 0 303.406 2.157 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)O[C@H]1CC(=O)N(C)[C@@H]1C ZINC000806069684 644504061 /nfs/dbraw/zinc/50/40/61/644504061.db2.gz BBOXYVOJMMPQKW-RISCZKNCSA-N 0 0 319.357 2.036 10 30 DEEERN C=CC[C@H](C(=O)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1)c1ccccc1 ZINC000909177702 645118214 /nfs/dbraw/zinc/11/82/14/645118214.db2.gz FHXJPKNXDNMRJY-HZMVEIRTSA-N 0 0 311.385 2.034 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000800736816 645300676 /nfs/dbraw/zinc/30/06/76/645300676.db2.gz DDRHVZWJWDYOIM-NHYWBVRUSA-N 0 0 308.809 2.291 10 30 DEEERN CC#CC(=O)N(CCC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000801156368 645347217 /nfs/dbraw/zinc/34/72/17/645347217.db2.gz OZIFQCHGWHXTMB-UHFFFAOYSA-N 0 0 314.433 2.324 10 30 DEEERN C#C[C@H](NC(=O)Nc1ncc(C(F)(F)F)s1)[C@@H]1CCCO1 ZINC000801756393 645438136 /nfs/dbraw/zinc/43/81/36/645438136.db2.gz FVORIPNBFVHEBW-YUMQZZPRSA-N 0 0 319.308 2.464 10 30 DEEERN CC(C)Cn1ncc2cc(C(=O)OCCO[C@@H](C)C#N)cnc21 ZINC000801832461 645446567 /nfs/dbraw/zinc/44/65/67/645446567.db2.gz LQMIHOKIXZVLRI-LBPRGKRZSA-N 0 0 316.361 2.173 10 30 DEEERN CCn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC000801845626 645448714 /nfs/dbraw/zinc/44/87/14/645448714.db2.gz ORXZBTGWVMGZIG-CQSZACIVSA-N 0 0 316.453 2.063 10 30 DEEERN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCO[C@H](C(F)F)C1 ZINC000802308036 645515669 /nfs/dbraw/zinc/51/56/69/645515669.db2.gz SSNCCTFNVLCDKU-KBPBESRZSA-N 0 0 321.327 2.221 10 30 DEEERN C=CCN(C)c1nnc([C@H]2Cc3ccccc3O2)n1CCOC ZINC000802507652 645531304 /nfs/dbraw/zinc/53/13/04/645531304.db2.gz LKEUDANDGFIFQC-OAHLLOKOSA-N 0 0 314.389 2.223 10 30 DEEERN C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@H](C)C(C)C)c(F)c1 ZINC000802558475 645533832 /nfs/dbraw/zinc/53/38/32/645533832.db2.gz SXUIMOVAKILSLA-SNVBAGLBSA-N 0 0 308.328 2.293 10 30 DEEERN C[C@H](C(=O)OC1(Cc2ccc(F)cc2)CC1)n1cnc(C#N)n1 ZINC000802791723 645560269 /nfs/dbraw/zinc/56/02/69/645560269.db2.gz XWAIPIHROXKGCX-LLVKDONJSA-N 0 0 314.320 2.168 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)Nc1ccc(C)cc1F ZINC000803699098 645681803 /nfs/dbraw/zinc/68/18/03/645681803.db2.gz QJOWMKPFMJYEQJ-UHFFFAOYSA-N 0 0 301.317 2.279 10 30 DEEERN C#Cc1cccc(N2C(=O)N[C@H](CCOC(C)(C)C)C2=O)c1 ZINC000804201099 645739192 /nfs/dbraw/zinc/73/91/92/645739192.db2.gz JBWLYQLTRHYDMY-CQSZACIVSA-N 0 0 300.358 2.298 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1nccn2ccnc12 ZINC000804457089 645774096 /nfs/dbraw/zinc/77/40/96/645774096.db2.gz OITVXHWQQGFWNH-OAHLLOKOSA-N 0 0 304.353 2.094 10 30 DEEERN C=CCOCC(=O)N1CCC([C@H](O)c2ccccc2C)CC1 ZINC000804509548 645784620 /nfs/dbraw/zinc/78/46/20/645784620.db2.gz AIEQILRTVFMZBF-SFHVURJKSA-N 0 0 303.402 2.470 10 30 DEEERN C=CC[C@@H](CO)Nc1cc(C(F)(F)F)c(C(=O)OC)cn1 ZINC000804614569 645796080 /nfs/dbraw/zinc/79/60/80/645796080.db2.gz QWVJSCHRHAPWLD-QMMMGPOBSA-N 0 0 304.268 2.236 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(OC)n(C)n1 ZINC000806433242 645830034 /nfs/dbraw/zinc/83/00/34/645830034.db2.gz HRXYELMWWSRVSK-AWEZNQCLSA-N 0 0 312.373 2.185 10 30 DEEERN C=CCN(C(=O)C(=O)NCCc1cccc2[nH]ccc21)C(C)C ZINC000806583501 645848808 /nfs/dbraw/zinc/84/88/08/645848808.db2.gz VZNDBRXIVBOSGP-UHFFFAOYSA-N 0 0 313.401 2.250 10 30 DEEERN C#CCC(CC#C)C(=O)NCCc1c[nH]c2ccc(OC)cc12 ZINC000806851815 645879722 /nfs/dbraw/zinc/87/97/22/645879722.db2.gz XYBHSMYTABDLCI-UHFFFAOYSA-N 0 0 308.381 2.498 10 30 DEEERN C#CCC(CC#C)C(=O)NCC(=O)OCc1ccc(Cl)cc1 ZINC000807242039 645929347 /nfs/dbraw/zinc/92/93/47/645929347.db2.gz CCWRGDQWFZHSDH-UHFFFAOYSA-N 0 0 317.772 2.162 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807671185 645974955 /nfs/dbraw/zinc/97/49/55/645974955.db2.gz LXMADHNLDMXOJE-AWEZNQCLSA-N 0 0 317.433 2.354 10 30 DEEERN C#C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CC=C)C2=O)C(C)(C)C ZINC000807879985 646003327 /nfs/dbraw/zinc/00/33/27/646003327.db2.gz ACRZZPGGPYVBPI-OAHLLOKOSA-N 0 0 324.380 2.246 10 30 DEEERN CC(N=Nc1ccc([N+](=O)[O-])cn1)c1cn2c(n1)CCCC2 ZINC000807964126 646013380 /nfs/dbraw/zinc/01/33/80/646013380.db2.gz XIEYHKXWDOEOKL-UHFFFAOYSA-N 0 0 300.322 2.359 10 30 DEEERN C=CCN(CC=C)C(=O)CON=C(N)c1ccc(Cl)cc1 ZINC000029465287 646283103 /nfs/dbraw/zinc/28/31/03/646283103.db2.gz VTFXIMZSVMFCLM-UHFFFAOYSA-N 0 0 307.781 2.178 10 30 DEEERN C[C@H](C(=O)[C@H](C#N)C(=O)NCc1ccccc1)C1CCOCC1 ZINC000165475574 646500478 /nfs/dbraw/zinc/50/04/78/646500478.db2.gz FQYLKJLHJABRIE-BBRMVZONSA-N 0 0 314.385 2.074 10 30 DEEERN C#Cc1cccc(N(C)C(=O)CNC(=O)c2ccccc2C)c1 ZINC000171489445 646701778 /nfs/dbraw/zinc/70/17/78/646701778.db2.gz RCRWTFMBLCPDGQ-UHFFFAOYSA-N 0 0 306.365 2.369 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@H]1COC(=O)C1 ZINC000153355805 647425440 /nfs/dbraw/zinc/42/54/40/647425440.db2.gz BTSOGZYAYXOIAO-CYBMUJFWSA-N 0 0 318.329 2.063 10 30 DEEERN C[C@@H](Cc1ccccc1)C(=O)O[C@@H](C)C(=O)N(C)CCC#N ZINC000732584337 647627194 /nfs/dbraw/zinc/62/71/94/647627194.db2.gz SHMDVBDMZKBCPL-KBPBESRZSA-N 0 0 302.374 2.169 10 30 DEEERN N#C[C@H]1CN(C(=O)c2ncoc2-c2ccccc2)CCN1C1CC1 ZINC000732651009 647635863 /nfs/dbraw/zinc/63/58/63/647635863.db2.gz QDXYDYBFKCEXRQ-HNNXBMFYSA-N 0 0 322.368 2.154 10 30 DEEERN N#C[C@H]1CN(C(=O)Nc2nc(C3CC3)cs2)CCN1C1CC1 ZINC000732675627 647640728 /nfs/dbraw/zinc/64/07/28/647640728.db2.gz ZKIGMJANARCKJC-LBPRGKRZSA-N 0 0 317.418 2.225 10 30 DEEERN C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732702501 647644225 /nfs/dbraw/zinc/64/42/25/647644225.db2.gz URCGJSZWNNQYAM-IIAWOOMASA-N 0 0 304.438 2.194 10 30 DEEERN C=CCN(Cc1ccc(OCC(N)=O)cc1)CC(F)(F)F ZINC000732808666 647664342 /nfs/dbraw/zinc/66/43/42/647664342.db2.gz YHCAYADSCJWUSB-UHFFFAOYSA-N 0 0 302.296 2.101 10 30 DEEERN C#CCSCCNC(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC000153791097 647824478 /nfs/dbraw/zinc/82/44/78/647824478.db2.gz JYMVMYLANFQDRR-LBPRGKRZSA-N 0 0 322.430 2.430 10 30 DEEERN C#CCOCCC(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000154941278 648140965 /nfs/dbraw/zinc/14/09/65/648140965.db2.gz IXDINLAYNSOLOY-UHFFFAOYSA-N 0 0 305.378 2.118 10 30 DEEERN C=C[C@H](CC)OC(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000181253450 648594093 /nfs/dbraw/zinc/59/40/93/648594093.db2.gz AMQKPGKQAXWPPN-CQSZACIVSA-N 0 0 309.387 2.348 10 30 DEEERN CC(=O)Nc1ccc(C(=O)OCC2(C#N)CCOCC2)cc1 ZINC000183941126 649204235 /nfs/dbraw/zinc/20/42/35/649204235.db2.gz SGVRHFPXRVMYJB-UHFFFAOYSA-N 0 0 302.330 2.122 10 30 DEEERN CC#CCCCCOC(=O)CCn1c2ccccc2n(C)c1=O ZINC000183939001 649204450 /nfs/dbraw/zinc/20/44/50/649204450.db2.gz GHVRMPAVCHLDOW-UHFFFAOYSA-N 0 0 314.385 2.467 10 30 DEEERN CC(C)Oc1cccc(C(=O)OCC2(C#N)CCOCC2)n1 ZINC000183941981 649204500 /nfs/dbraw/zinc/20/45/00/649204500.db2.gz VQWRIQFTAVLRKF-UHFFFAOYSA-N 0 0 304.346 2.346 10 30 DEEERN CCc1noc(CC)c1CC(=O)OCC1(C#N)CCOCC1 ZINC000183952021 649205246 /nfs/dbraw/zinc/20/52/46/649205246.db2.gz GQXXQDXTCYHDBU-UHFFFAOYSA-N 0 0 306.362 2.205 10 30 DEEERN C=CCN(Cc1ccccc1F)Cn1nc(CO)n(C)c1=S ZINC000305149936 685278572 /nfs/dbraw/zinc/27/85/72/685278572.db2.gz ZSUSPSWTPQMVFK-UHFFFAOYSA-N 0 0 322.409 2.228 10 30 DEEERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000017326682 683855485 /nfs/dbraw/zinc/85/54/85/683855485.db2.gz YZMFRECSVRIWRR-TXEJJXNPSA-N 0 0 313.357 2.500 10 30 DEEERN C#C[C@H](OC(=O)C1CCN(C(=O)c2ccccc2)CC1)C1CC1 ZINC000089491124 684024027 /nfs/dbraw/zinc/02/40/27/684024027.db2.gz YAXURTDKMUNDAS-KRWDZBQOSA-N 0 0 311.381 2.494 10 30 DEEERN C#CCOc1ccc(F)cc1NCc1nsc(N(C)C)n1 ZINC000089660942 684024864 /nfs/dbraw/zinc/02/48/64/684024864.db2.gz YOGZZADOOURPIZ-UHFFFAOYSA-N 0 0 306.366 2.367 10 30 DEEERN C=CCCOC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000116594104 684065647 /nfs/dbraw/zinc/06/56/47/684065647.db2.gz XQBTVPCIQUOHOD-HOCLYGCPSA-N 0 0 303.358 2.334 10 30 DEEERN C=CCCCOC(=O)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000117992596 684069951 /nfs/dbraw/zinc/06/99/51/684069951.db2.gz MAPIGLVULQOQAT-UHFFFAOYSA-N 0 0 311.403 2.173 10 30 DEEERN CC(=O)c1c(C)cccc1NCC(=O)N(CCC#N)CCC#N ZINC000125129913 684142373 /nfs/dbraw/zinc/14/23/73/684142373.db2.gz PGAGHBORJUUTPN-UHFFFAOYSA-N 0 0 312.373 2.265 10 30 DEEERN C=CCC(CC=C)C(=O)OCCCc1nc2ncccn2n1 ZINC000133048608 684215821 /nfs/dbraw/zinc/21/58/21/684215821.db2.gz NUHVFNZPEVVKOH-UHFFFAOYSA-N 0 0 300.362 2.369 10 30 DEEERN C[C@H](OC(=O)c1cc(S(C)(=O)=O)cs1)C(C)(C)C#N ZINC000133074235 684216270 /nfs/dbraw/zinc/21/62/70/684216270.db2.gz ZVWHUDFTALLQMB-QMMMGPOBSA-N 0 0 301.389 2.247 10 30 DEEERN CCOCCCNC(=O)[C@@H](C#N)C(=O)C1CCC(F)(F)CC1 ZINC000136373716 684239907 /nfs/dbraw/zinc/23/99/07/684239907.db2.gz BPDRPFSBXXOMCV-LBPRGKRZSA-N 0 0 316.348 2.064 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)c1cnn2ccc(C)nc12 ZINC000156543111 684289614 /nfs/dbraw/zinc/28/96/14/684289614.db2.gz MDMVOCIWXAFEAV-UHFFFAOYSA-N 0 0 324.315 2.441 10 30 DEEERN C#CCSCCNC(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000189734035 684386530 /nfs/dbraw/zinc/38/65/30/684386530.db2.gz ANCHUULDVGMZTP-UHFFFAOYSA-N 0 0 306.431 2.217 10 30 DEEERN CCCCN1CCOC[C@@H]1C(=O)OCC#Cc1ccccc1 ZINC000194200039 685059949 /nfs/dbraw/zinc/05/99/49/685059949.db2.gz SWFLSUCVVWYSLU-QGZVFWFLSA-N 0 0 301.386 2.082 10 30 DEEERN C=C(Br)COC(=O)Cn1ccc(=O)c2ccccc21 ZINC000195353268 685095961 /nfs/dbraw/zinc/09/59/61/685095961.db2.gz GQAUFWFBYWGYQA-UHFFFAOYSA-N 0 0 322.158 2.453 10 30 DEEERN COc1ccc(OC(=O)c2cc(C#N)cn2C)c([N+](=O)[O-])c1 ZINC000176482407 782471611 /nfs/dbraw/zinc/47/16/11/782471611.db2.gz JIXUBLPVVCGKIJ-UHFFFAOYSA-N 0 0 301.258 2.033 10 30 DEEERN CCc1nc(C#N)cc(N2CCS[C@@H](C(F)(F)F)C2)n1 ZINC000721429104 776822489 /nfs/dbraw/zinc/82/24/89/776822489.db2.gz UHVBNAAQCFAIOT-SECBINFHSA-N 0 0 302.325 2.395 10 30 DEEERN CON=Cc1ccc(C(=O)O[C@@H](C)CCn2cccn2)cc1 ZINC000588448148 777211256 /nfs/dbraw/zinc/21/12/56/777211256.db2.gz NNDOHSBXHSECID-ZDUSSCGKSA-N 0 0 301.346 2.499 10 30 DEEERN C#CCCCNC(=O)C(=O)Nc1cc(F)ccc1OC(C)C ZINC000173516396 778257886 /nfs/dbraw/zinc/25/78/86/778257886.db2.gz HPLZQNOQFMPFPL-UHFFFAOYSA-N 0 0 306.337 2.081 10 30 DEEERN Cc1cc(S(=O)(=O)NCC[C@@H]2CCCS2)ccc1C#N ZINC000715969079 792540743 /nfs/dbraw/zinc/54/07/43/792540743.db2.gz RLOVRFDWIOKERJ-ZDUSSCGKSA-N 0 0 310.444 2.431 10 30 DEEERN N#Cc1c(F)cccc1S(=O)(=O)NCC[C@@H]1CCCS1 ZINC000715970020 792541199 /nfs/dbraw/zinc/54/11/99/792541199.db2.gz VAEDUXYXIKUWEC-JTQLQIEISA-N 0 0 314.407 2.261 10 30 DEEERN C#CC[C@H](COC)NC(=O)c1ccc(Br)s1 ZINC000716885818 793020381 /nfs/dbraw/zinc/02/03/81/793020381.db2.gz CFRWAFDPPZGBAT-MRVPVSSYSA-N 0 0 302.193 2.279 10 30 DEEERN C#CC[C@@H](CO)NC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000717705005 799428504 /nfs/dbraw/zinc/42/85/04/799428504.db2.gz XJLKEAJKGWQXQP-FZMZJTMJSA-N 0 0 324.218 2.443 10 30 DEEERN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)Nc1nc[nH]n1 ZINC000071869438 1080051721 /nfs/dbraw/zinc/05/17/21/1080051721.db2.gz WROQHAMTNVLSLJ-UHFFFAOYSA-N 0 0 321.340 2.490 10 30 DEEERN C[C@@]1(C#N)CCN(C(=O)c2cc(Br)cnc2F)C1 ZINC000700923020 1086344232 /nfs/dbraw/zinc/34/42/32/1086344232.db2.gz PONKLASEQGKCKJ-LBPRGKRZSA-N 0 0 312.142 2.359 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1C)C(C)(C)C ZINC000702265698 1086416143 /nfs/dbraw/zinc/41/61/43/1086416143.db2.gz CNPWVKXFOKZDOI-LLVKDONJSA-N 0 0 300.811 2.370 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NCC[C@H]1CCSC1 ZINC000704787978 1086591170 /nfs/dbraw/zinc/59/11/70/1086591170.db2.gz TZDJTIBGDGLQGR-LBPRGKRZSA-N 0 0 310.444 2.288 10 30 DEEERN CSC1(CNS(=O)(=O)c2cc(F)cc(C#N)c2)CCC1 ZINC000720035203 1089428824 /nfs/dbraw/zinc/42/88/24/1089428824.db2.gz DWSSLIGHEUAXEL-UHFFFAOYSA-N 0 0 314.407 2.261 10 30 DEEERN C[C@]1(CNS(=O)(=O)c2cc(F)cc(C#N)c2)CC1(F)F ZINC000720086083 1089496108 /nfs/dbraw/zinc/49/61/08/1089496108.db2.gz ZKQXMGLSYCTKHD-LLVKDONJSA-N 0 0 304.293 2.021 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)NC[C@H]2CCCSC2)c1 ZINC000720081534 1089496494 /nfs/dbraw/zinc/49/64/94/1089496494.db2.gz AZFJOJBWMBYBHY-SNVBAGLBSA-N 0 0 314.407 2.119 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCSCC(F)(F)F ZINC000425497067 334929470 /nfs/dbraw/zinc/92/94/70/334929470.db2.gz XNDMHHGUOZBAHR-UWVGGRQHSA-N 0 0 312.357 2.172 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CCO[C@](C)(COC)C1 ZINC000624822533 365560943 /nfs/dbraw/zinc/56/09/43/365560943.db2.gz POFLGVDIGFOOEK-KRWDZBQOSA-N 0 0 322.453 2.294 10 30 DEEERN C=CCn1c([C@@H](C)CC)nnc1N1CCO[C@@](C)(COC)C1 ZINC000624833598 365565371 /nfs/dbraw/zinc/56/53/71/365565371.db2.gz MWRJEECNQCRKIY-XJKSGUPXSA-N 0 0 308.426 2.219 10 30 DEEERN C=CCCCN(C)C(=O)NCc1ccc(C(=O)N(C)C)cc1 ZINC000076950485 185060523 /nfs/dbraw/zinc/06/05/23/185060523.db2.gz YDOKQSTVJLWTCK-UHFFFAOYSA-N 0 0 303.406 2.496 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1ccc(F)cc1C ZINC000612169445 361763262 /nfs/dbraw/zinc/76/32/62/361763262.db2.gz BFDQNWOPEDHUSR-MRXNPFEDSA-N 0 0 306.381 2.264 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000612321470 361792164 /nfs/dbraw/zinc/79/21/64/361792164.db2.gz SWYPVDYOJYKCJU-HUUCEWRRSA-N 0 0 310.438 2.169 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1cc(-c2cccnc2)nn1CCO ZINC000278449963 214162073 /nfs/dbraw/zinc/16/20/73/214162073.db2.gz XRCRKENICDVZJB-ZDUSSCGKSA-N 0 0 314.389 2.478 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000612399407 361815592 /nfs/dbraw/zinc/81/55/92/361815592.db2.gz AHXMMKYHPPCZNQ-UONOGXRCSA-N 0 0 322.430 2.119 10 30 DEEERN C=C(C)COCCNC(=O)CCc1cc(OC)c(O)c(OC)c1 ZINC000612436197 361826573 /nfs/dbraw/zinc/82/65/73/361826573.db2.gz NBPBUFXQWJIBHX-UHFFFAOYSA-N 0 0 323.389 2.051 10 30 DEEERN CC[C@@H](C)OCC(=O)N1CC[C@@H](n2ccc(NC(C)=O)n2)C1 ZINC000328614411 529376691 /nfs/dbraw/zinc/37/66/91/529376691.db2.gz VZFGBRVJYYLHEN-DGCLKSJQSA-N 0 0 308.382 2.080 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1cccc(OCC)c1 ZINC000612684808 361892573 /nfs/dbraw/zinc/89/25/73/361892573.db2.gz AILIRTMKYROIEN-QGZVFWFLSA-N 0 0 318.417 2.215 10 30 DEEERN CC(=O)[C@H](NC(=O)COc1cccc(Cl)c1C#N)C(C)C ZINC000079085235 185155972 /nfs/dbraw/zinc/15/59/72/185155972.db2.gz NABSBXMCGPHPIO-OAHLLOKOSA-N 0 0 308.765 2.320 10 30 DEEERN CN(C[C@@H](O)COCc1ccccc1)C(=O)C1(C#N)CCCC1 ZINC000081966809 192346925 /nfs/dbraw/zinc/34/69/25/192346925.db2.gz BERAFGPCEJQIBL-MRXNPFEDSA-N 0 0 316.401 2.106 10 30 DEEERN COc1ccc([C@@H](C#N)N2CCN(C)CC2)cc1Br ZINC000088045163 185237844 /nfs/dbraw/zinc/23/78/44/185237844.db2.gz YWHYAWMVFINUHA-CYBMUJFWSA-N 0 0 324.222 2.270 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000088232480 185242817 /nfs/dbraw/zinc/24/28/17/185242817.db2.gz ATURMGJBUBTWEU-UHFFFAOYSA-N 0 0 309.304 2.474 10 30 DEEERN CC[C@H](C#N)S(=O)(=O)NCc1cccc(C(F)(F)F)c1 ZINC000088474924 185252482 /nfs/dbraw/zinc/25/24/82/185252482.db2.gz PHTMGXYUDAHIHM-LLVKDONJSA-N 0 0 306.309 2.427 10 30 DEEERN C=CCNc1ncc(C(=O)N[C@H](C)CCC(=O)OCC)s1 ZINC000090002616 185276351 /nfs/dbraw/zinc/27/63/51/185276351.db2.gz GRVFFRQBNUTOAH-SNVBAGLBSA-N 0 0 311.407 2.203 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)C[C@@]1(OC(C)C)CCOC1 ZINC000625325461 365730257 /nfs/dbraw/zinc/73/02/57/365730257.db2.gz AYFDDHQMPICCPS-OAHLLOKOSA-N 0 0 319.467 2.092 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCOc1ccc(Cl)c(F)c1 ZINC000613484804 362125830 /nfs/dbraw/zinc/12/58/30/362125830.db2.gz FVGGFHUITGTYOF-JTQLQIEISA-N 0 0 301.745 2.301 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1 ZINC000613490515 362126694 /nfs/dbraw/zinc/12/66/94/362126694.db2.gz YQSDURRMXKERED-LBPRGKRZSA-N 0 0 316.323 2.438 10 30 DEEERN Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc(C#CCO)s1 ZINC000092341611 185313157 /nfs/dbraw/zinc/31/31/57/185313157.db2.gz VORCRIUIPYUNMH-SECBINFHSA-N 0 0 304.371 2.188 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)c1nc2ccccc2n1C ZINC000613530140 362138982 /nfs/dbraw/zinc/13/89/82/362138982.db2.gz LLCDIJBEDSXFHC-CQSZACIVSA-N 0 0 314.389 2.007 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)c1ccc(Cl)cn1 ZINC000613766755 362202331 /nfs/dbraw/zinc/20/23/31/362202331.db2.gz QURJKQBDNRKOII-HZMBPMFUSA-N 0 0 309.797 2.383 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC000625355548 365745347 /nfs/dbraw/zinc/74/53/47/365745347.db2.gz RTRVAQKUDALMDS-SECBINFHSA-N 0 0 323.340 2.026 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC000613931102 362247736 /nfs/dbraw/zinc/24/77/36/362247736.db2.gz MRHQBCWMNNPFNK-HZPDHXFCSA-N 0 0 322.449 2.455 10 30 DEEERN CCc1nnc(NCc2ccnc3ccnn32)c(C#N)c1CC ZINC000302053221 529769575 /nfs/dbraw/zinc/76/95/75/529769575.db2.gz PHUGXTWCMXMEEQ-UHFFFAOYSA-N 0 0 307.361 2.128 10 30 DEEERN CCc1nnc(NCc2nc(CO)cs2)c(C#N)c1CC ZINC000302255126 529769638 /nfs/dbraw/zinc/76/96/38/529769638.db2.gz BLLHJHOTANMUFK-UHFFFAOYSA-N 0 0 303.391 2.034 10 30 DEEERN CN(CC1(O)CCCC1)c1ncc(Br)cc1C#N ZINC000297610939 529856505 /nfs/dbraw/zinc/85/65/05/529856505.db2.gz VQYMIOAPHOJFDD-UHFFFAOYSA-N 0 0 310.195 2.457 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000614188779 362312452 /nfs/dbraw/zinc/31/24/52/362312452.db2.gz OESVQAUGXXXSNN-XHSDSOJGSA-N 0 0 304.365 2.269 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)c2cc(CCCCC)n[nH]2)C1=O ZINC000614394117 362370189 /nfs/dbraw/zinc/37/01/89/362370189.db2.gz NJWNPVDQBFFKBM-HNNXBMFYSA-N 0 0 318.421 2.001 10 30 DEEERN COCC(=O)Nc1c(C#N)cnn1-c1cc(C)c2ccccc2n1 ZINC000170509530 197777524 /nfs/dbraw/zinc/77/75/24/197777524.db2.gz GUVGYSKABMFOFG-UHFFFAOYSA-N 0 0 321.340 2.186 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H](c2ccncc2)C1 ZINC000614818324 362469904 /nfs/dbraw/zinc/46/99/04/362469904.db2.gz MSKOMNUMPZLNJQ-IRXDYDNUSA-N 0 0 315.417 2.259 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc2c(C)nn(C)c2c1 ZINC000615103408 362533387 /nfs/dbraw/zinc/53/33/87/362533387.db2.gz ILXJWXJEZZTQSD-OAHLLOKOSA-N 0 0 314.389 2.291 10 30 DEEERN COc1ccc([C@H](C)NC(=O)C2(C#N)CCOCC2)cc1F ZINC000109138639 185553973 /nfs/dbraw/zinc/55/39/73/185553973.db2.gz RWMXURWPKFLSIT-NSHDSACASA-N 0 0 306.337 2.332 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CSc2ccccc21 ZINC000615457901 362610567 /nfs/dbraw/zinc/61/05/67/362610567.db2.gz DSUDTBQTTKOXIU-ZFWWWQNUSA-N 0 0 318.442 2.463 10 30 DEEERN C=CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000111349004 185585443 /nfs/dbraw/zinc/58/54/43/185585443.db2.gz NFPQQNDYBWKRJK-UHFFFAOYSA-N 0 0 302.377 2.243 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCC(C)(C)c1ccc(C)cn1 ZINC000625516829 365811568 /nfs/dbraw/zinc/81/15/68/365811568.db2.gz DXTISRQBZDPFHV-UHFFFAOYSA-N 0 0 317.433 2.208 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@]2(CCSC2)C1 ZINC000616113200 362774583 /nfs/dbraw/zinc/77/45/83/362774583.db2.gz JSHWUDKKCAYCKF-GOEBONIOSA-N 0 0 310.463 2.203 10 30 DEEERN C=CCCCCCN(C)C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000625758974 365892565 /nfs/dbraw/zinc/89/25/65/365892565.db2.gz MDDGXBAPKKLUQF-AWEZNQCLSA-N 0 0 306.410 2.133 10 30 DEEERN C=CCCc1nc(-c2ccc(OCC(=O)N(C)C)cc2)no1 ZINC000356350105 404468598 /nfs/dbraw/zinc/46/85/98/404468598.db2.gz WREGVBHZKLNXCG-UHFFFAOYSA-N 0 0 301.346 2.322 10 30 DEEERN N#Cc1ccccc1[C@H]1CCN(S(N)(=O)=O)c2ccccc21 ZINC000616589791 362894337 /nfs/dbraw/zinc/89/43/37/362894337.db2.gz VHVCFBRUGOBZFZ-CQSZACIVSA-N 0 0 313.382 2.104 10 30 DEEERN N#Cc1cc(N)ccc1S(=O)(=O)NCCCCC(F)(F)F ZINC000130256467 185950088 /nfs/dbraw/zinc/95/00/88/185950088.db2.gz FRPUJSLZYWKYLE-UHFFFAOYSA-N 0 0 321.324 2.151 10 30 DEEERN COc1cc2c(c(OC)c1)C(C#N)N(Cc1ccncc1)C2=O ZINC000071680698 191006531 /nfs/dbraw/zinc/00/65/31/191006531.db2.gz BMPNGTQUZBZPJW-AWEZNQCLSA-N 0 0 309.325 2.319 10 30 DEEERN N#C[C@H]1c2cccc(OCc3ccccc3)c2C(=O)N1CCO ZINC000071682697 191006820 /nfs/dbraw/zinc/00/68/20/191006820.db2.gz RPWAFRPOFOZMJE-HNNXBMFYSA-N 0 0 308.337 2.278 10 30 DEEERN CN[C@](C)(C#N)COc1c(Br)cccc1[N+](=O)[O-] ZINC000133641235 186002345 /nfs/dbraw/zinc/00/23/45/186002345.db2.gz CZQCRWXHVFNMAD-LLVKDONJSA-N 0 0 314.139 2.238 10 30 DEEERN CCOC(=O)[C@H](CNc1nccnc1C#N)Cc1ccccc1 ZINC000072082235 191034549 /nfs/dbraw/zinc/03/45/49/191034549.db2.gz WJVSSUWBMDGTAY-AWEZNQCLSA-N 0 0 310.357 2.182 10 30 DEEERN C[C@H]1CCC[C@H](C)N1NS(=O)(=O)Cc1ccccc1C#N ZINC000147786378 186041736 /nfs/dbraw/zinc/04/17/36/186041736.db2.gz QFSAUYWAMWULRQ-STQMWFEESA-N 0 0 307.419 2.156 10 30 DEEERN CCOC(C)(C)CNC(=O)c1cc(C)c(C#CCCO)s1 ZINC000159701220 186136102 /nfs/dbraw/zinc/13/61/02/186136102.db2.gz OJBUBBNWVATGFD-UHFFFAOYSA-N 0 0 309.431 2.335 10 30 DEEERN CCC1(CC)CN(C(=O)c2sccc2C#N)CC[S@@]1=O ZINC000183847163 186223819 /nfs/dbraw/zinc/22/38/19/186223819.db2.gz HVJLVJCWSOPQNK-FQEVSTJZSA-N 0 0 310.444 2.383 10 30 DEEERN N#CCCCCNC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000171594759 197949007 /nfs/dbraw/zinc/94/90/07/197949007.db2.gz ZCZLKRHOJFRUDX-CYBMUJFWSA-N 0 0 303.387 2.300 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cn1c(C)cc(O)cc1=O ZINC000617040439 363006916 /nfs/dbraw/zinc/00/69/16/363006916.db2.gz UHSPHPQSUUSOJE-ZFWWWQNUSA-N 0 0 304.390 2.113 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CCC(=O)N1CCC(O)CC1 ZINC000617041796 363007981 /nfs/dbraw/zinc/00/79/81/363007981.db2.gz IYOFQEZTBKXZHS-GOEBONIOSA-N 0 0 322.449 2.001 10 30 DEEERN C=CCSCCNC(=O)N[C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595491999 358463914 /nfs/dbraw/zinc/46/39/14/358463914.db2.gz JVLRJOJXJFMHIW-LSDHHAIUSA-N 0 0 322.478 2.350 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCc1cnc(C(F)(F)F)nc1 ZINC000617222747 363055924 /nfs/dbraw/zinc/05/59/24/363055924.db2.gz XHUQCZRBAJPOBD-ZDUSSCGKSA-N 0 0 317.311 2.340 10 30 DEEERN C[C@H](CO)[C@H](C)NC(=O)NCCSCc1ccccc1C#N ZINC000172595627 198121197 /nfs/dbraw/zinc/12/11/97/198121197.db2.gz QLPFXVQQDUGXEK-OLZOCXBDSA-N 0 0 321.446 2.108 10 30 DEEERN C=CCCC1(CNC(=O)[C@@H](CCC)S(N)(=O)=O)CCCC1 ZINC000617418094 363129126 /nfs/dbraw/zinc/12/91/26/363129126.db2.gz RTCPIICLKGMIQJ-CYBMUJFWSA-N 0 0 316.467 2.086 10 30 DEEERN C=CCCC1(CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CCCC1 ZINC000617417838 363129149 /nfs/dbraw/zinc/12/91/49/363129149.db2.gz IPVCQLIORKPVQG-UHFFFAOYSA-N 0 0 321.377 2.153 10 30 DEEERN CC[C@@H]1COCCN1C(=O)NC[C@H]1CCCn2cc(C)nc21 ZINC000328721209 539909997 /nfs/dbraw/zinc/90/99/97/539909997.db2.gz RACHYHBOCHSWKV-ZIAGYGMSSA-N 0 0 306.410 2.094 10 30 DEEERN C[C@H](C[C@@H]1CCCO1)NC(=O)N[C@H]1CCCc2c1cnn2C ZINC000328714464 539910128 /nfs/dbraw/zinc/91/01/28/539910128.db2.gz DCROUDURPJMVBK-DYEKYZERSA-N 0 0 306.410 2.259 10 30 DEEERN O=C(N[C@@H]1CCN(c2ccccc2)C1)N1CCc2cncnc2C1 ZINC000329303775 539917860 /nfs/dbraw/zinc/91/78/60/539917860.db2.gz XPPVZHNBXJEAJN-OAHLLOKOSA-N 0 0 323.400 2.028 10 30 DEEERN C[C@H]1N(C(=O)N[C@H]2CCO[C@@H]2c2cccnc2)CCOC1(C)C ZINC000329426974 539920124 /nfs/dbraw/zinc/92/01/24/539920124.db2.gz GQAQWQRVDFRZMW-VHDGCEQUSA-N 0 0 319.405 2.325 10 30 DEEERN O=C(CN1CC(=O)NC1=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000329502616 539921474 /nfs/dbraw/zinc/92/14/74/539921474.db2.gz YWVBRQWRWSONKP-NSHDSACASA-N 0 0 321.308 2.388 10 30 DEEERN C=CCN(C(=O)c1ccc(CNC(C)=O)s1)[C@@H](C)COC ZINC000617579178 363195153 /nfs/dbraw/zinc/19/51/53/363195153.db2.gz ZDGGTSSVLOTJLL-NSHDSACASA-N 0 0 310.419 2.047 10 30 DEEERN C=CCN(C(=O)c1cnn(CC(F)(F)F)c1)[C@@H](C)COC ZINC000617582651 363195953 /nfs/dbraw/zinc/19/59/53/363195953.db2.gz RIDZDQQLRLDONX-JTQLQIEISA-N 0 0 305.300 2.109 10 30 DEEERN O=C(C[C@@H]1CCOC1)NCc1ccc(CN2CCOCC2)cc1 ZINC000329864452 539931045 /nfs/dbraw/zinc/93/10/45/539931045.db2.gz ZQOYJAOAWMXJCA-KRWDZBQOSA-N 0 0 318.417 2.402 10 30 DEEERN C=CCN(C(=O)c1ccnn1CC(F)(F)F)[C@@H](C)COC ZINC000617584117 363196822 /nfs/dbraw/zinc/19/68/22/363196822.db2.gz XBYVPJNGRRTSPX-JTQLQIEISA-N 0 0 305.300 2.109 10 30 DEEERN N#Cc1ccc(CN2C(=O)[C@@H]3CCCCCN3C2=O)c(F)c1 ZINC000617675056 363220696 /nfs/dbraw/zinc/22/06/96/363220696.db2.gz MRRKAZWEFJAWEM-AWEZNQCLSA-N 0 0 301.321 2.404 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2cccc(-n3nnnc3C)c2)C1 ZINC000626273086 366131714 /nfs/dbraw/zinc/13/17/14/366131714.db2.gz ZTFYCRATVDZADP-CYBMUJFWSA-N 0 0 312.377 2.401 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 ZINC000626307267 366142568 /nfs/dbraw/zinc/14/25/68/366142568.db2.gz UGNBQUHTZOHMKU-LLVKDONJSA-N 0 0 301.346 2.447 10 30 DEEERN C=CCNC(=O)Cc1noc([C@@H]2CC[C@H](C(F)(F)F)C2)n1 ZINC000346992580 540017856 /nfs/dbraw/zinc/01/78/56/540017856.db2.gz XWFGEVDGRWMGNP-BDAKNGLRSA-N 0 0 303.284 2.360 10 30 DEEERN C=CCN(CC=C)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000046943623 354298592 /nfs/dbraw/zinc/29/85/92/354298592.db2.gz WSGCVCRDEBVRBH-UHFFFAOYSA-N 0 0 300.406 2.434 10 30 DEEERN C=CCC1(C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)CCC1 ZINC000277024989 213246935 /nfs/dbraw/zinc/24/69/35/213246935.db2.gz KDFHCMLKMARUPB-DZGCQCFKSA-N 0 0 303.406 2.360 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCCc1ccc2c(c1)OCCCO2 ZINC000626448935 366191141 /nfs/dbraw/zinc/19/11/41/366191141.db2.gz RBOXLKCOPGSDRQ-HNNXBMFYSA-N 0 0 319.401 2.224 10 30 DEEERN C=CCCCN(C)C(=O)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000076650252 355159898 /nfs/dbraw/zinc/15/98/98/355159898.db2.gz IPVGIGMQALIPEQ-UHFFFAOYSA-N 0 0 324.446 2.088 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H]1Cc2ccccc2CN1C(C)=O ZINC000076650213 355159916 /nfs/dbraw/zinc/15/99/16/355159916.db2.gz QDZGUIJAHBFLGH-KRWDZBQOSA-N 0 0 300.402 2.384 10 30 DEEERN C=CCCCN(C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000076733997 355165405 /nfs/dbraw/zinc/16/54/05/355165405.db2.gz HCJOVWGTEFYUIC-CQSZACIVSA-N 0 0 324.384 2.410 10 30 DEEERN C=CCCCN(C)C(=O)NCc1cccc(NC(=O)COC)c1 ZINC000076946605 355174591 /nfs/dbraw/zinc/17/45/91/355174591.db2.gz IXWWXULFHIKFIA-UHFFFAOYSA-N 0 0 319.405 2.379 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc2c(c1)N(CC)CC2 ZINC000077860749 355233767 /nfs/dbraw/zinc/23/37/67/355233767.db2.gz DGJCGQOUJIFHCZ-UHFFFAOYSA-N 0 0 315.417 2.432 10 30 DEEERN N#Cc1ccccc1NC(=O)Cc1ccc2c(c1)NC(=O)CCO2 ZINC000074966883 191398130 /nfs/dbraw/zinc/39/81/30/191398130.db2.gz KKOLKJQVTNZKLJ-UHFFFAOYSA-N 0 0 321.336 2.460 10 30 DEEERN C[C@@H]1Oc2ccc([N+](=O)[O-])nc2N(Cc2ccccc2C#N)C1=O ZINC000075258075 191451143 /nfs/dbraw/zinc/45/11/43/191451143.db2.gz FTFHFHWNYIQLRL-JTQLQIEISA-N 0 0 324.296 2.176 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000078164405 191829940 /nfs/dbraw/zinc/82/99/40/191829940.db2.gz SQBXEIHGKXMMMW-YUDUHTQSSA-N 0 0 314.385 2.255 10 30 DEEERN N#CC1(NC(=O)CCCNC(=O)NC2CCCCC2)CCCC1 ZINC000124753740 355809443 /nfs/dbraw/zinc/80/94/43/355809443.db2.gz FNPNOURXZDDCMZ-UHFFFAOYSA-N 0 0 320.437 2.351 10 30 DEEERN Cc1cc(C)n([C@H](C)C(=O)NCc2ccc(C#N)cc2F)n1 ZINC000170931316 355995036 /nfs/dbraw/zinc/99/50/36/355995036.db2.gz PUWJMNUCSJFYCL-GFCCVEGCSA-N 0 0 300.337 2.388 10 30 DEEERN N#CC1(c2ccc(C(=O)Nc3ncc(C(N)=O)s3)cc2)CC1 ZINC000182591532 356132459 /nfs/dbraw/zinc/13/24/59/356132459.db2.gz MQVBHUSLZIFAAP-UHFFFAOYSA-N 0 0 312.354 2.049 10 30 DEEERN C=CCOCCCC(=O)Nc1ccc(S(C)(=O)=O)cc1C ZINC000080292665 192021539 /nfs/dbraw/zinc/02/15/39/192021539.db2.gz HCNJCQARXDOXES-UHFFFAOYSA-N 0 0 311.403 2.320 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1nc2ccccc2n1C1CC1 ZINC000185223042 356204624 /nfs/dbraw/zinc/20/46/24/356204624.db2.gz ISIFRXHFWVWVLK-GFCCVEGCSA-N 0 0 314.389 2.107 10 30 DEEERN C=CCSCCNC(=O)NCc1ccc(C(=O)OC)cc1 ZINC000194552901 356241147 /nfs/dbraw/zinc/24/11/47/356241147.db2.gz MNZNKNBDVHIEIY-UHFFFAOYSA-N 0 0 308.403 2.192 10 30 DEEERN N/C(=N/O)Nc1ccc(I)cc1Cl ZINC000232154704 356285210 /nfs/dbraw/zinc/28/52/10/356285210.db2.gz UCVFGODBKZDPQF-UHFFFAOYSA-N 0 0 311.510 2.060 10 30 DEEERN C#C[C@@](C)(CC)Nc1nc[n-]c(=O)c1I ZINC000306668723 356405312 /nfs/dbraw/zinc/40/53/12/356405312.db2.gz GBFGFPONCIIMMJ-JTQLQIEISA-N 0 0 317.130 2.001 10 30 DEEERN O=C[C@@H]1CC[C@H](c2ncc(I)s2)O1 ZINC000306972590 356406391 /nfs/dbraw/zinc/40/63/91/356406391.db2.gz WFHRFBDBYAEOCM-NTSWFWBYSA-N 0 0 309.128 2.167 10 30 DEEERN C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(CC#N)cc1 ZINC000081300226 192247669 /nfs/dbraw/zinc/24/76/69/192247669.db2.gz ULTBDBMVYAXSGG-LBPRGKRZSA-N 0 0 304.371 2.255 10 30 DEEERN Cc1nc2c(s1)CCC[C@H]2CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000328644767 356465373 /nfs/dbraw/zinc/46/53/73/356465373.db2.gz ZHRHMLGWVRXRAY-IUCAKERBSA-N 0 0 322.390 2.471 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000081611293 192302218 /nfs/dbraw/zinc/30/22/18/192302218.db2.gz MZNNUBYHOZFMTJ-CYBMUJFWSA-N 0 0 313.279 2.398 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NCCC(C)(C)F)cc2C1=O ZINC000618405166 363483489 /nfs/dbraw/zinc/48/34/89/363483489.db2.gz SUQHCPMGUUHVOJ-UHFFFAOYSA-N 0 0 318.348 2.337 10 30 DEEERN C=CCOCCCNC(=O)c1sc(-c2ncccn2)nc1C ZINC000618520541 363514421 /nfs/dbraw/zinc/51/44/21/363514421.db2.gz FYUJQABDWFFCOM-UHFFFAOYSA-N 0 0 318.402 2.231 10 30 DEEERN C=CCOCCCNC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1 ZINC000618522244 363514704 /nfs/dbraw/zinc/51/47/04/363514704.db2.gz AUWZKLNBEHEYRE-PCKAHOCUSA-N 0 0 322.449 2.123 10 30 DEEERN C=CCOCCCNC(=O)c1coc(-c2ccnc(C)c2)n1 ZINC000618525969 363517051 /nfs/dbraw/zinc/51/70/51/363517051.db2.gz OSXJPOTUIMTFCE-UHFFFAOYSA-N 0 0 301.346 2.368 10 30 DEEERN CCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)cc1N ZINC000085916875 192539592 /nfs/dbraw/zinc/53/95/92/192539592.db2.gz QVTCTKWRBLCFDS-UHFFFAOYSA-N 0 0 321.427 2.413 10 30 DEEERN C=CCC1(c2nc([C@H]3CC(=O)N(C4CC4)C3)no2)CCOCC1 ZINC000351298582 356649766 /nfs/dbraw/zinc/64/97/66/356649766.db2.gz PHSQOBBHIIKDFR-LBPRGKRZSA-N 0 0 317.389 2.172 10 30 DEEERN C=CCOCCNCc1ncc(I)s1 ZINC000393659274 356713455 /nfs/dbraw/zinc/71/34/55/356713455.db2.gz QTMHJKHMSGTGDQ-UHFFFAOYSA-N 0 0 324.187 2.040 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@H](C)C[C@@H]1C ZINC000578106310 356761271 /nfs/dbraw/zinc/76/12/71/356761271.db2.gz HTDVHQIUQIFSSQ-RDBSUJKOSA-N 0 0 306.410 2.177 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cnn(CC(F)(F)F)c1 ZINC000578411271 356810195 /nfs/dbraw/zinc/81/01/95/356810195.db2.gz RKNQNRCEOJLQSL-VXGBXAGGSA-N 0 0 317.311 2.043 10 30 DEEERN C=CCCCCCNC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000579254255 356948380 /nfs/dbraw/zinc/94/83/80/356948380.db2.gz CLKNQKVKFUTZHC-CYBMUJFWSA-N 0 0 321.421 2.102 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc2c[nH]nc2cc1C ZINC000276868316 213143552 /nfs/dbraw/zinc/14/35/52/213143552.db2.gz YDIQFWQHCCUPPG-UHFFFAOYSA-N 0 0 300.362 2.234 10 30 DEEERN C=CCC1(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CCOCC1 ZINC000581365104 357174190 /nfs/dbraw/zinc/17/41/90/357174190.db2.gz FESPRVDOMISEIU-LBPRGKRZSA-N 0 0 320.355 2.112 10 30 DEEERN Cc1cc(NCc2cccc(N3CCOCC3)n2)cc(C#N)n1 ZINC000588021746 357389067 /nfs/dbraw/zinc/38/90/67/357389067.db2.gz DZMINNDPPRXVHU-UHFFFAOYSA-N 0 0 309.373 2.105 10 30 DEEERN C=CCSCCNC(=O)N1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000588315853 357406378 /nfs/dbraw/zinc/40/63/78/357406378.db2.gz MTXXCZVFAJPLSJ-ZJUUUORDSA-N 0 0 312.357 2.267 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000618710810 363582945 /nfs/dbraw/zinc/58/29/45/363582945.db2.gz JMJZYMVJWGVIRP-UGSOOPFHSA-N 0 0 317.385 2.369 10 30 DEEERN C=CCOCCNC(=O)Nc1ccc(F)c(C(=O)OC)c1C ZINC000589358276 357466498 /nfs/dbraw/zinc/46/64/98/357466498.db2.gz YPMOTEJEJNJRML-UHFFFAOYSA-N 0 0 310.325 2.245 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CC(=O)Nc2cc(C(=O)OC)ccc21 ZINC000591001812 357658396 /nfs/dbraw/zinc/65/83/96/357658396.db2.gz DZNHVHIQCRMNKR-LLVKDONJSA-N 0 0 316.357 2.361 10 30 DEEERN C=CCCn1cc(C[S@@](=O)Cc2nc(CCCC)no2)nn1 ZINC000593936773 358174798 /nfs/dbraw/zinc/17/47/98/358174798.db2.gz GZDVIPPQGYZYGJ-JOCHJYFZSA-N 0 0 323.422 2.029 10 30 DEEERN C=CCCn1cc(C[S@@](=O)Cc2cccc(OC)c2)nn1 ZINC000593937146 358174966 /nfs/dbraw/zinc/17/49/66/358174966.db2.gz NZNHUQRCFRJYCM-NRFANRHFSA-N 0 0 305.403 2.312 10 30 DEEERN C=CCCn1cc(CSCCC(=O)N2CCC[C@H]2C)nn1 ZINC000594564697 358294877 /nfs/dbraw/zinc/29/48/77/358294877.db2.gz AEPJFZCCLOVATH-CYBMUJFWSA-N 0 0 308.451 2.488 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595209743 358401910 /nfs/dbraw/zinc/40/19/10/358401910.db2.gz OSNKNOLECCGTLI-BETUJISGSA-N 0 0 315.329 2.243 10 30 DEEERN C=CCNC(=O)NC(=O)CN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595675584 358519505 /nfs/dbraw/zinc/51/95/05/358519505.db2.gz NGPUFZZMUUNTLK-HNNXBMFYSA-N 0 0 317.389 2.209 10 30 DEEERN C[C@@]1(C#N)CCN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000595367217 358432016 /nfs/dbraw/zinc/43/20/16/358432016.db2.gz OKKWINMDCAGFPN-LBPRGKRZSA-N 0 0 302.758 2.403 10 30 DEEERN C=CCOCCCNC(=O)N[C@H]1CCC[C@]1(C)C(=O)OCC ZINC000595767599 358544584 /nfs/dbraw/zinc/54/45/84/358544584.db2.gz QDOQGYRQGADMEL-BBRMVZONSA-N 0 0 312.410 2.000 10 30 DEEERN C[C@@H]1CN(c2ncc(Br)cc2C#N)C[C@@H](C)C1O ZINC000596468258 358693244 /nfs/dbraw/zinc/69/32/44/358693244.db2.gz DBBKSMCOGIJWNL-RKDXNWHRSA-N 0 0 310.195 2.169 10 30 DEEERN C=CCOCCCNc1c(Br)cncc1[N+](=O)[O-] ZINC000596471887 358693615 /nfs/dbraw/zinc/69/36/15/358693615.db2.gz BWGLDIRNDGCEAU-UHFFFAOYSA-N 0 0 316.155 2.179 10 30 DEEERN C=CCN(C(=O)Nc1ccc(CC(=O)OC)cc1)[C@@H](C)COC ZINC000596703913 358743331 /nfs/dbraw/zinc/74/33/31/358743331.db2.gz CFCINVFIQPDGCX-ZDUSSCGKSA-N 0 0 320.389 2.457 10 30 DEEERN C=CCOCCCNC(=O)Nc1ccccc1C[S@@](C)=O ZINC000596846095 358774196 /nfs/dbraw/zinc/77/41/96/358774196.db2.gz VSHZTFSAUZPERF-OAQYLSRUSA-N 0 0 310.419 2.279 10 30 DEEERN C=CCOC[C@H](N[C@H](C)c1cc2cnccc2o1)C(=O)OC ZINC000597116858 358828414 /nfs/dbraw/zinc/82/84/14/358828414.db2.gz KAZBJVKSHABEAX-YPMHNXCESA-N 0 0 304.346 2.223 10 30 DEEERN C=CCSCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1CC=C ZINC000597217501 358857169 /nfs/dbraw/zinc/85/71/69/358857169.db2.gz DGCXQZFBZRBVFU-KBPBESRZSA-N 0 0 310.463 2.273 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCSCC ZINC000597310925 358885943 /nfs/dbraw/zinc/88/59/43/358885943.db2.gz CJYWAOOBYDPYTQ-KBPBESRZSA-N 0 0 312.479 2.497 10 30 DEEERN C=CCC1(C(=O)NCc2ccccc2C(=O)OC)CCOCC1 ZINC000597617633 358964248 /nfs/dbraw/zinc/96/42/48/358964248.db2.gz QNJXHNSFWQVXFC-UHFFFAOYSA-N 0 0 317.385 2.462 10 30 DEEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000627470808 366530199 /nfs/dbraw/zinc/53/01/99/366530199.db2.gz ZLRFJHZXFAUHJI-SWLSCSKDSA-N 0 0 304.390 2.192 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000597864133 359027702 /nfs/dbraw/zinc/02/77/02/359027702.db2.gz LALGWVPETMUPQU-OCCSQVGLSA-N 0 0 306.366 2.433 10 30 DEEERN C=CCC[C@H](NC(=O)[C@]1(O)CCCC(C)(C)C1)C(=O)OCC ZINC000597732948 358993162 /nfs/dbraw/zinc/99/31/62/358993162.db2.gz MVMYBPMORVHSEE-GUYCJALGSA-N 0 0 311.422 2.332 10 30 DEEERN C=CCOCC(=O)NC[C@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000598117759 359100839 /nfs/dbraw/zinc/10/08/39/359100839.db2.gz XPGUACJYLVMWTF-OAHLLOKOSA-N 0 0 317.385 2.212 10 30 DEEERN C=CCC1(NC(=O)c2ccc(C(=O)OC)c(F)c2)CCOCC1 ZINC000598179735 359114300 /nfs/dbraw/zinc/11/43/00/359114300.db2.gz VRYSGFJNHOLLBO-UHFFFAOYSA-N 0 0 321.348 2.467 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@@H]21 ZINC000598182873 359116151 /nfs/dbraw/zinc/11/61/51/359116151.db2.gz PYUYEEJWFREJEW-QMHWVQJVSA-N 0 0 321.417 2.158 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(OC)C(=O)OC(C)(C)C ZINC000598421933 359194214 /nfs/dbraw/zinc/19/42/14/359194214.db2.gz PMHDXMBSLMPHTN-AHIWAGSCSA-N 0 0 309.406 2.443 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC3CC2(C(=O)OCC)C3)cc1 ZINC000598445804 359202770 /nfs/dbraw/zinc/20/27/70/359202770.db2.gz 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/nfs/dbraw/zinc/12/53/15/200125315.db2.gz YADOFSVBGWAZAR-GOSISDBHSA-N 0 0 301.386 2.080 10 30 DEEERN C=CC(C)(C)CNC(=O)C(=O)Nc1cncc(OCCC)c1 ZINC000627594628 366560327 /nfs/dbraw/zinc/56/03/27/366560327.db2.gz BAWMVYZZYXZOPI-UHFFFAOYSA-N 0 0 305.378 2.137 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2ccc(F)c(C(=O)OC)c2C)C1=O ZINC000600946032 359867817 /nfs/dbraw/zinc/86/78/17/359867817.db2.gz CCTSTXAZNOXRJU-NSHDSACASA-N 0 0 320.320 2.312 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000627688451 366592700 /nfs/dbraw/zinc/59/27/00/366592700.db2.gz FWAPDXVCWRZQLP-UHFFFAOYSA-N 0 0 317.389 2.302 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000627688717 366592798 /nfs/dbraw/zinc/59/27/98/366592798.db2.gz UFXJCQVXNFBFHW-UHFFFAOYSA-N 0 0 304.346 2.072 10 30 DEEERN CC[C@@]1(C)CN(C(=O)[C@H](C)Oc2ccccc2C#N)CCO1 ZINC000188655230 200282214 /nfs/dbraw/zinc/28/22/14/200282214.db2.gz YGKHMPWNYZJODY-GUYCJALGSA-N 0 0 302.374 2.353 10 30 DEEERN Cn1ccnc1C[C@@H]1CCCN(C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000188681010 200286110 /nfs/dbraw/zinc/28/61/10/200286110.db2.gz YBVPEBYMHZYUBN-ZDUSSCGKSA-N 0 0 324.384 2.092 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@H]2C[C@@H](O)C23CCC3)cc1OC ZINC000619091046 363703268 /nfs/dbraw/zinc/70/32/68/363703268.db2.gz RZCSHTPJIHRKSS-JKSUJKDBSA-N 0 0 317.385 2.293 10 30 DEEERN C=CCC1(NC(=O)Cn2cnc3ccccc3c2=O)CCCC1 ZINC000619106395 363707274 /nfs/dbraw/zinc/70/72/74/363707274.db2.gz QWVCSLIBKDVNKO-UHFFFAOYSA-N 0 0 311.385 2.402 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccnn2-c2ccccc2)C1 ZINC000627734077 366603346 /nfs/dbraw/zinc/60/33/46/366603346.db2.gz KHMCFXKKSPLGBU-AWEZNQCLSA-N 0 0 324.384 2.235 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(F)F)nc2)C1 ZINC000627733507 366603612 /nfs/dbraw/zinc/60/36/12/366603612.db2.gz WKZCIKIOSNBVHX-JTQLQIEISA-N 0 0 309.316 2.382 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc(C)cnc2OCC)C1 ZINC000627732824 366603642 /nfs/dbraw/zinc/60/36/42/366603642.db2.gz DQPJQPFUWICZSK-ZDUSSCGKSA-N 0 0 317.389 2.152 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccccc2CCOC)C1 ZINC000627734097 366603651 /nfs/dbraw/zinc/60/36/51/366603651.db2.gz KTORBLBPRNWHNV-AWEZNQCLSA-N 0 0 316.401 2.239 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)c3nccn3c2)C1 ZINC000627733441 366603669 /nfs/dbraw/zinc/60/36/69/366603669.db2.gz VBPRASKHBMXEQQ-CYBMUJFWSA-N 0 0 312.373 2.006 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-n3cccn3)cc2)C1 ZINC000627733998 366603777 /nfs/dbraw/zinc/60/37/77/366603777.db2.gz IWVCFBGERDJLDF-CQSZACIVSA-N 0 0 324.384 2.235 10 30 DEEERN C=CCOc1ccc(CC(=O)NCc2c(C)nnn2CC)cc1 ZINC000627868693 366643706 /nfs/dbraw/zinc/64/37/06/366643706.db2.gz BTWFVUNMTFZSBL-UHFFFAOYSA-N 0 0 314.389 2.030 10 30 DEEERN C=CCOCCCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601195115 359960441 /nfs/dbraw/zinc/96/04/41/359960441.db2.gz DLDTVBJFWLRMHR-UHFFFAOYSA-N 0 0 308.260 2.352 10 30 DEEERN C=C1CC(C)(C(=O)Nc2nnc(CCCC(=O)OC)s2)C1 ZINC000601215386 359968372 /nfs/dbraw/zinc/96/83/72/359968372.db2.gz YSIYUDWZWKCPIP-UHFFFAOYSA-N 0 0 309.391 2.329 10 30 DEEERN C=CCN(CCC#N)S(=O)(=O)CCc1noc2ccccc21 ZINC000601419459 360035503 /nfs/dbraw/zinc/03/55/03/360035503.db2.gz JPFGCQNZTFFYIP-UHFFFAOYSA-N 0 0 319.386 2.102 10 30 DEEERN C=CCC1(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)OC)O2)CCCCC1 ZINC000601628387 360093324 /nfs/dbraw/zinc/09/33/24/360093324.db2.gz YUHNXFAQGBGBDO-MGPQQGTHSA-N 0 0 309.406 2.348 10 30 DEEERN C=C(C)C[C@H](NC(=O)COc1ccccc1Cl)C(=O)OC ZINC000601771638 360140555 /nfs/dbraw/zinc/14/05/55/360140555.db2.gz JLWFUUPMKQDKJM-LBPRGKRZSA-N 0 0 311.765 2.343 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCc1ccccc1OC)C(=O)OC ZINC000601772169 360141274 /nfs/dbraw/zinc/14/12/74/360141274.db2.gz NQPCHGGKLPYRSP-CQSZACIVSA-N 0 0 305.374 2.252 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OC ZINC000601778088 360143559 /nfs/dbraw/zinc/14/35/59/360143559.db2.gz LGIGYOCTEIGXCG-VIFPVBQESA-N 0 0 312.347 2.202 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cc1cnc2ccccc2c1)C(=O)OC ZINC000601781126 360145439 /nfs/dbraw/zinc/14/54/39/360145439.db2.gz 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C=CCC[C@@H](C(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000189470981 200407980 /nfs/dbraw/zinc/40/79/80/200407980.db2.gz LKQCUCZQWNIFFL-HZPDHXFCSA-N 0 0 310.401 2.459 10 30 DEEERN C=CCC(CC=C)C(=O)NC[C@]1(C(=O)OCC)CCCOC1 ZINC000601859832 360176525 /nfs/dbraw/zinc/17/65/25/360176525.db2.gz MUXMQZKQCXDPQE-QGZVFWFLSA-N 0 0 309.406 2.231 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 ZINC000602060752 360253804 /nfs/dbraw/zinc/25/38/04/360253804.db2.gz ZZRWHZQKXJSHRX-UHFFFAOYSA-N 0 0 314.389 2.309 10 30 DEEERN C=CCSCCNC(=O)NC[C@@H]1c2ccccc2C(=O)N1C ZINC000602244517 360321507 /nfs/dbraw/zinc/32/15/07/360321507.db2.gz GZLMBFICTQIPTF-CQSZACIVSA-N 0 0 319.430 2.032 10 30 DEEERN C=CCCSCCNC(=O)C(=O)NCC[C@H]1CC=CCC1 ZINC000602280084 360328945 /nfs/dbraw/zinc/32/89/45/360328945.db2.gz ASBJXNFUILLPEU-AWEZNQCLSA-N 0 0 310.463 2.275 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)OC ZINC000602413301 360361185 /nfs/dbraw/zinc/36/11/85/360361185.db2.gz LNBZSZXLEFOVJF-LBPRGKRZSA-N 0 0 306.318 2.141 10 30 DEEERN C[C@@H]1OCC[C@H]1S(=O)(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000190042377 200479785 /nfs/dbraw/zinc/47/97/85/200479785.db2.gz ZFWFNIMGBJMSGP-BLLLJJGKSA-N 0 0 320.414 2.030 10 30 DEEERN C=C(C)C[C@@H](NCc1cncc(Br)c1)C(=O)OC ZINC000602734450 360525172 /nfs/dbraw/zinc/52/51/72/360525172.db2.gz OMAXVSOWLDQXKH-GFCCVEGCSA-N 0 0 313.195 2.442 10 30 DEEERN C=C(C)C[C@H](NCc1c(C)[nH]c(C(=O)OCC)c1C)C(=O)OC ZINC000602737953 360528676 /nfs/dbraw/zinc/52/86/76/360528676.db2.gz DOIFGDYGDYYVTN-AWEZNQCLSA-N 0 0 322.405 2.406 10 30 DEEERN C=C1CC(C)(C(=O)N(CCCOCC)C[C@@H](C)C(=O)OC)C1 ZINC000602877697 360605067 /nfs/dbraw/zinc/60/50/67/360605067.db2.gz KIWAGHYTSYGPLF-CQSZACIVSA-N 0 0 311.422 2.407 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)cc1CS(N)(=O)=O ZINC000603413721 360824673 /nfs/dbraw/zinc/82/46/73/360824673.db2.gz YVZMJFPFPSGEKV-GASCZTMLSA-N 0 0 317.414 2.034 10 30 DEEERN CCCCOc1ncccc1CNC(=O)c1ccnc(C#N)c1 ZINC000192911109 200961360 /nfs/dbraw/zinc/96/13/60/200961360.db2.gz CQSQKKZRQQZOOX-UHFFFAOYSA-N 0 0 310.357 2.457 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000275792522 212538290 /nfs/dbraw/zinc/53/82/90/212538290.db2.gz JZERIUIWSZGOFK-PBHICJAKSA-N 0 0 316.401 2.265 10 30 DEEERN Cc1nn(C)c2ncc(C(=O)NCc3ccc(C#N)cc3F)cc12 ZINC000609228908 361290838 /nfs/dbraw/zinc/29/08/38/361290838.db2.gz KDVXJUDTOHSIKZ-UHFFFAOYSA-N 0 0 323.331 2.218 10 30 DEEERN C=CCN(C(=O)[C@H]1COc2cc(F)ccc2C1)[C@@H](C)COC ZINC000628054735 366705987 /nfs/dbraw/zinc/70/59/87/366705987.db2.gz BTRQPJTWJWYWLG-GXTWGEPZSA-N 0 0 307.365 2.426 10 30 DEEERN C=CCOCCCNC(=O)c1cc(C)n([C@H]2CCOC2)c1C ZINC000628088066 366716263 /nfs/dbraw/zinc/71/62/63/366716263.db2.gz TUBTXYJJKWBELG-HNNXBMFYSA-N 0 0 306.406 2.389 10 30 DEEERN N#CCN1CCC(NC(=O)N2CCC3(C2)CCCCC3)CC1 ZINC000610350945 361388861 /nfs/dbraw/zinc/38/88/61/361388861.db2.gz ZKDMIAPCCBUIES-UHFFFAOYSA-N 0 0 304.438 2.340 10 30 DEEERN COc1cccc([C@H]2CN(C(=O)c3ccnc(C#N)c3)CCO2)c1 ZINC000193579551 201078094 /nfs/dbraw/zinc/07/80/94/201078094.db2.gz SPZIFDVAHMOQSL-QGZVFWFLSA-N 0 0 323.352 2.176 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000628317803 366807494 /nfs/dbraw/zinc/80/74/94/366807494.db2.gz ZTLJRTBIRGAIAN-UHFFFAOYSA-N 0 0 300.358 2.245 10 30 DEEERN C=CC(C)(C)CCNC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000628318785 366808655 /nfs/dbraw/zinc/80/86/55/366808655.db2.gz UCQUVYLOHTXUET-UHFFFAOYSA-N 0 0 304.390 2.144 10 30 DEEERN Cc1nc(C2(NC(=O)c3cc(C#N)cn3C)CCCCC2)no1 ZINC000610575622 361424893 /nfs/dbraw/zinc/42/48/93/361424893.db2.gz HWUZQKPOAHLCCJ-UHFFFAOYSA-N 0 0 313.361 2.178 10 30 DEEERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N(C[C@H](C)C#N)C1CC1 ZINC000611088635 361526029 /nfs/dbraw/zinc/52/60/29/361526029.db2.gz AWWIGWXPDOQKCC-PXAZEXFGSA-N 0 0 311.385 2.115 10 30 DEEERN C=CCCOCC(=O)N1CC[C@H](C(=O)OC)c2ccccc21 ZINC000611161969 361537807 /nfs/dbraw/zinc/53/78/07/361537807.db2.gz MFOHWMYLEYQMGE-AWEZNQCLSA-N 0 0 303.358 2.273 10 30 DEEERN C=C(C)[C@@H](CO)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000611237338 361556443 /nfs/dbraw/zinc/55/64/43/361556443.db2.gz HLERGOLBZIAQAN-GOSISDBHSA-N 0 0 322.412 2.165 10 30 DEEERN CCOC1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000611538488 361625791 /nfs/dbraw/zinc/62/57/91/361625791.db2.gz QMEXMPZTBDRGNT-KRWDZBQOSA-N 0 0 324.421 2.276 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc2cc(F)ccc2n1C ZINC000611629568 361649325 /nfs/dbraw/zinc/64/93/25/361649325.db2.gz RUIMXQUTBAUUSR-CYBMUJFWSA-N 0 0 318.352 2.122 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCC(O)(CC)CC ZINC000611674970 361654674 /nfs/dbraw/zinc/65/46/74/361654674.db2.gz VVAHNIFHYOEVMD-GJZGRUSLSA-N 0 0 324.465 2.295 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000611747999 361672092 /nfs/dbraw/zinc/67/20/92/361672092.db2.gz WDOHQCGUAMDZMS-MRXNPFEDSA-N 0 0 317.389 2.079 10 30 DEEERN Cn1cc(CNc2c(C#N)cnc3c(F)cc(F)cc32)nn1 ZINC000611931136 361706800 /nfs/dbraw/zinc/70/68/00/361706800.db2.gz VWHIHBMZDQNBRG-UHFFFAOYSA-N 0 0 300.272 2.125 10 30 DEEERN C=CC[C@H]1CCCN(c2nnc(COC)n2C[C@H]2CCCO2)C1 ZINC000611875587 361698815 /nfs/dbraw/zinc/69/88/15/361698815.db2.gz UBGJGOQLVISFAM-LSDHHAIUSA-N 0 0 320.437 2.396 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1OC ZINC000612033265 361727823 /nfs/dbraw/zinc/72/78/23/361727823.db2.gz KEFAIAARETWSKV-KLHDSHLOSA-N 0 0 322.449 2.311 10 30 DEEERN COc1ccc(CCCNC(=O)NCC2(C#N)CC2)cc1OC ZINC000619527810 363817657 /nfs/dbraw/zinc/81/76/57/363817657.db2.gz GWNSTNUTUSVKRX-UHFFFAOYSA-N 0 0 317.389 2.239 10 30 DEEERN Cn1ccnc1C[C@H](NC(=O)NCC1(C#N)CC1)c1ccccc1 ZINC000619529923 363818578 /nfs/dbraw/zinc/81/85/78/363818578.db2.gz XNDSIRNJTDCVDB-HNNXBMFYSA-N 0 0 323.400 2.307 10 30 DEEERN C[C@H](C(=O)Nc1nc2ccccc2n1C1CC1)n1cnc(C#N)n1 ZINC000619598047 363836668 /nfs/dbraw/zinc/83/66/68/363836668.db2.gz KTRDKZRXYDHPHD-SNVBAGLBSA-N 0 0 321.344 2.034 10 30 DEEERN Cn1nccc1[C@@H]1CCCCN1C(=O)CNc1ccc(C#N)cc1 ZINC000619618322 363840983 /nfs/dbraw/zinc/84/09/83/363840983.db2.gz FAFDYYICFXPWSR-KRWDZBQOSA-N 0 0 323.400 2.457 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nn(C)c(=O)c2ccccc21 ZINC000620317289 364014694 /nfs/dbraw/zinc/01/46/94/364014694.db2.gz KRUJPIVWZPGFNI-OKILXGFUSA-N 0 0 323.396 2.186 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1ccc(OC)cc1 ZINC000620316554 364015001 /nfs/dbraw/zinc/01/50/01/364015001.db2.gz CWLBASXUFFXRNV-GASCZTMLSA-N 0 0 314.385 2.135 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(N2CCOCC2)c1 ZINC000620307036 364013791 /nfs/dbraw/zinc/01/37/91/364013791.db2.gz XHLPUDZKCIABHC-IYBDPMFKSA-N 0 0 313.401 2.241 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@H](C(=O)NC(C)C)C2)CCOCC1 ZINC000620408062 364037458 /nfs/dbraw/zinc/03/74/58/364037458.db2.gz OLMMUUQOPUHTAE-HNNXBMFYSA-N 0 0 322.449 2.123 10 30 DEEERN C=CCCC(C)(C)NC(=O)C1CCN(Cc2nccn2C)CC1 ZINC000620858639 364180552 /nfs/dbraw/zinc/18/05/52/364180552.db2.gz MDPZBGGRIGOIJI-UHFFFAOYSA-N 0 0 318.465 2.493 10 30 DEEERN C=CCC1(C(=O)Nc2ccnc3cc(C)nn32)CCOCC1 ZINC000621080107 364243904 /nfs/dbraw/zinc/24/39/04/364243904.db2.gz ZYFKMKKKIVEBEM-UHFFFAOYSA-N 0 0 300.362 2.349 10 30 DEEERN CCOc1ccc(S(=O)(=O)N/N=C(/C)c2ccco2)cc1 ZINC000006656887 181365760 /nfs/dbraw/zinc/36/57/60/181365760.db2.gz CAJOXPAAXHAWFA-PTNGSMBKSA-N 0 0 308.359 2.381 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)C1 ZINC000628485724 366864257 /nfs/dbraw/zinc/86/42/57/366864257.db2.gz ROANVEXEHTYNTL-ZDUSSCGKSA-N 0 0 322.430 2.405 10 30 DEEERN C=CC[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000628491593 366865252 /nfs/dbraw/zinc/86/52/52/366865252.db2.gz CCNDFPVPDZOYOZ-DZGCQCFKSA-N 0 0 319.426 2.372 10 30 DEEERN C=CCOc1ccc(CN2CCO[C@@](C)(COC)C2)cc1OC ZINC000628496203 366866832 /nfs/dbraw/zinc/86/68/32/366866832.db2.gz LFPDKJRSVRFBBU-GOSISDBHSA-N 0 0 321.417 2.497 10 30 DEEERN C=CCCCS(=O)(=O)N1Cc2ccccc2NC(=O)[C@H]1C ZINC000623282882 364966466 /nfs/dbraw/zinc/96/64/66/364966466.db2.gz FYPXHSSGUXIUDV-GFCCVEGCSA-N 0 0 308.403 2.125 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NC2CCN(C(=O)C(C)C)CC2)C1 ZINC000623406580 365017057 /nfs/dbraw/zinc/01/70/57/365017057.db2.gz CLXYSRXQEATTOD-CQSZACIVSA-N 0 0 307.438 2.241 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NC2CCN(C(=O)C(C)C)CC2)C1 ZINC000623406579 365016772 /nfs/dbraw/zinc/01/67/72/365016772.db2.gz CLXYSRXQEATTOD-AWEZNQCLSA-N 0 0 307.438 2.241 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@H]2CCN(c3ncccc3F)C2)C1 ZINC000623742476 365156777 /nfs/dbraw/zinc/15/67/77/365156777.db2.gz SATAMCLQFBQRFC-KBPBESRZSA-N 0 0 318.396 2.407 10 30 DEEERN Cc1cccn2c1ncc(C(=O)N(CC#N)c1ccccc1)c2=O ZINC000091196379 193016868 /nfs/dbraw/zinc/01/68/68/193016868.db2.gz PKIKDZIAFWRABX-UHFFFAOYSA-N 0 0 318.336 2.173 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000623770581 365168223 /nfs/dbraw/zinc/16/82/23/365168223.db2.gz OOKIBOYAMHUSBH-HOCLYGCPSA-N 0 0 319.449 2.385 10 30 DEEERN N#C[C@]1([C@H](O)c2cc(Cl)c3c(c2)OCCCO3)CCOC1 ZINC000091880961 193122038 /nfs/dbraw/zinc/12/20/38/193122038.db2.gz IMAMWPHZWDCUBB-HUUCEWRRSA-N 0 0 309.749 2.465 10 30 DEEERN N#C[C@@]1([C@@H](O)c2cc(Cl)c3c(c2)OCCCO3)CCOC1 ZINC000091880958 193122063 /nfs/dbraw/zinc/12/20/63/193122063.db2.gz IMAMWPHZWDCUBB-GJZGRUSLSA-N 0 0 309.749 2.465 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000624461868 365429749 /nfs/dbraw/zinc/42/97/49/365429749.db2.gz SRQPUBKLZRXLBT-UHFFFAOYSA-N 0 0 311.470 2.341 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000624463350 365429765 /nfs/dbraw/zinc/42/97/65/365429765.db2.gz FHRCJJPAWXISIK-CYBMUJFWSA-N 0 0 316.467 2.197 10 30 DEEERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)n2C)C12CCCC2 ZINC000449984872 241324627 /nfs/dbraw/zinc/32/46/27/241324627.db2.gz AEXKGJMHXKCTEH-HUUCEWRRSA-N 0 0 301.390 2.364 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000629428990 367198261 /nfs/dbraw/zinc/19/82/61/367198261.db2.gz DESVNHGMTVOHQA-GFCCVEGCSA-N 0 0 318.373 2.115 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NCCCNc1cccc(F)c1 ZINC000450574064 241966024 /nfs/dbraw/zinc/96/60/24/241966024.db2.gz YVXOXJZLBWGGIM-UHFFFAOYSA-N 0 0 300.337 2.268 10 30 DEEERN C=C(C)COc1cc(CN2CCC[C@H]2C(=O)NC)ccc1OC ZINC000092100219 193158442 /nfs/dbraw/zinc/15/84/42/193158442.db2.gz PFDKJKZCYRDZOP-HNNXBMFYSA-N 0 0 318.417 2.361 10 30 DEEERN CN(c1ccccc1N)S(=O)(=O)c1ccc(CC#N)cc1 ZINC000092130587 193166297 /nfs/dbraw/zinc/16/62/97/193166297.db2.gz DCSNKWWXEODUSF-UHFFFAOYSA-N 0 0 301.371 2.160 10 30 DEEERN C=C1CC(C)(C(=O)Nc2nc(CN3CCOCC3)cs2)C1 ZINC000630774429 367839808 /nfs/dbraw/zinc/83/98/08/367839808.db2.gz LLZQMGBXCPJPJC-UHFFFAOYSA-N 0 0 307.419 2.270 10 30 DEEERN C=C1CC(C)(C(=O)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000630902287 367903767 /nfs/dbraw/zinc/90/37/67/367903767.db2.gz IOBIOVMYELSDES-GFCCVEGCSA-N 0 0 322.430 2.128 10 30 DEEERN C=C(C)COc1cccc(NC(=O)CC2CS(=O)(=O)C2)c1 ZINC000630904241 367904296 /nfs/dbraw/zinc/90/42/96/367904296.db2.gz JEOZRPFIDGWOGD-UHFFFAOYSA-N 0 0 309.387 2.015 10 30 DEEERN C=C1CC(C)(C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)C1 ZINC000630888703 367898446 /nfs/dbraw/zinc/89/84/46/367898446.db2.gz FYBSXYUQGXNSTD-UHFFFAOYSA-N 0 0 324.384 2.283 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H](c2nccn2C)c2ccccc2)C1=O ZINC000630964464 367939167 /nfs/dbraw/zinc/93/91/67/367939167.db2.gz HRZARPPZXOYLJQ-LSDHHAIUSA-N 0 0 324.384 2.396 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCn2c(C)nc3ccccc32)C1=O ZINC000630965244 367940307 /nfs/dbraw/zinc/94/03/07/367940307.db2.gz OYGVBWFYUWUIGE-CQSZACIVSA-N 0 0 312.373 2.231 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@@H](C)N(C)c2ccccc2)C1=O ZINC000630972728 367944205 /nfs/dbraw/zinc/94/42/05/367944205.db2.gz ZPFJXSQNPNZBJY-UKRRQHHQSA-N 0 0 301.390 2.398 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H](C)Oc2cccc(OC)c2)C1=O ZINC000630977702 367947666 /nfs/dbraw/zinc/94/76/66/367947666.db2.gz WPBFGMFPZNLAEB-WFASDCNBSA-N 0 0 318.373 2.349 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H](C)Oc2cccc(OC)c2)C1=O ZINC000630977698 367947960 /nfs/dbraw/zinc/94/79/60/367947960.db2.gz WPBFGMFPZNLAEB-DOMZBBRYSA-N 0 0 318.373 2.349 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H]2CSc3ccccc3O2)C1=O ZINC000630986643 367951792 /nfs/dbraw/zinc/95/17/92/367951792.db2.gz OJUYYKUPUWPMFV-RYUDHWBXSA-N 0 0 318.398 2.426 10 30 DEEERN C=C1CC(C)(C(=O)N2CCN(c3cccc(OCC)n3)CC2)C1 ZINC000631129155 368034291 /nfs/dbraw/zinc/03/42/91/368034291.db2.gz WQVMQWJYYDPHIL-UHFFFAOYSA-N 0 0 315.417 2.485 10 30 DEEERN C=C1CC(C)(C(=O)NCc2cn(-c3ccc(OC)cc3)nn2)C1 ZINC000631726033 368359604 /nfs/dbraw/zinc/35/96/04/368359604.db2.gz GPMIZMAXZGHOKM-UHFFFAOYSA-N 0 0 312.373 2.248 10 30 DEEERN CN[C@@]1(C#N)CCC[C@H]1CCSc1nnc(N(C)C)s1 ZINC000093581564 193269393 /nfs/dbraw/zinc/26/93/93/193269393.db2.gz HAFIMPSFSUQFOE-GXFFZTMASA-N 0 0 311.480 2.368 10 30 DEEERN C[C@@H](C#N)N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000093633041 193277667 /nfs/dbraw/zinc/27/76/67/193277667.db2.gz ACNIJGNLHWLQQX-NSHDSACASA-N 0 0 308.769 2.278 10 30 DEEERN Cc1c(F)cc(N)cc1S(=O)(=O)Nc1ccc(C#N)cc1 ZINC000094359199 193365032 /nfs/dbraw/zinc/36/50/32/193365032.db2.gz POZUFOBQXNKXHC-UHFFFAOYSA-N 0 0 305.334 2.389 10 30 DEEERN CCC1(CC)CCN(S(=O)(=O)c2ccc(N)cc2C#N)C1 ZINC000094795251 193398327 /nfs/dbraw/zinc/39/83/27/193398327.db2.gz VNFQOWBJONLBQM-UHFFFAOYSA-N 0 0 307.419 2.341 10 30 DEEERN C=CCSCCNC(=O)C(=O)Nc1ccc(CC)c(OC)c1 ZINC000453655166 245243260 /nfs/dbraw/zinc/24/32/60/245243260.db2.gz PFEVUTBFTAHNPL-UHFFFAOYSA-N 0 0 322.430 2.232 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000274846268 211978036 /nfs/dbraw/zinc/97/80/36/211978036.db2.gz SUMNCOVPCBQVLN-AWEZNQCLSA-N 0 0 303.406 2.137 10 30 DEEERN C=C(Br)CN1C(=O)[C@@H](C(C)(C)C)NC(=O)[C@@H]1CC ZINC000161573948 197505791 /nfs/dbraw/zinc/50/57/91/197505791.db2.gz HNPOCUUOWNHMQQ-UWVGGRQHSA-N 0 0 317.227 2.047 10 30 DEEERN C=C(Br)CN1C(=O)[C@H](CCC)NC(=O)[C@@H]1C(C)C ZINC000161567334 197504255 /nfs/dbraw/zinc/50/42/55/197504255.db2.gz AEXBMEJURZSALK-QWRGUYRKSA-N 0 0 317.227 2.047 10 30 DEEERN C=C(Cl)CN1C(=O)[C@H](c2ccccc2)NC(=O)[C@H]1C(C)C ZINC000161286830 197481538 /nfs/dbraw/zinc/48/15/38/197481538.db2.gz NASSXHUMNAHAJI-UONOGXRCSA-N 0 0 306.793 2.463 10 30 DEEERN C#CCNc1nnc(C)c2nnn(Cc3ccccc3Cl)c21 ZINC000020447520 182217829 /nfs/dbraw/zinc/21/78/29/182217829.db2.gz RQOWWXBOCWNSFC-UHFFFAOYSA-N 0 0 312.764 2.277 10 30 DEEERN C=CCC[C@H](NC(=O)c1ccnc2ccncc21)C(=O)OCC ZINC000456598179 247299464 /nfs/dbraw/zinc/29/94/64/247299464.db2.gz AOHRLHNFGGJVJH-HNNXBMFYSA-N 0 0 313.357 2.258 10 30 DEEERN C=CCC[C@H](NC(=O)[C@@H](C)n1nc(C)cc1C)C(=O)OCC ZINC000456631503 247325012 /nfs/dbraw/zinc/32/50/12/247325012.db2.gz SGPIJDMASYQCOF-KGLIPLIRSA-N 0 0 307.394 2.075 10 30 DEEERN CC(C)O[C@H]1C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000457879257 248055953 /nfs/dbraw/zinc/05/59/53/248055953.db2.gz XTQKZIROMVQWFO-IIYDPXPESA-N 0 0 324.421 2.320 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@H](CC)c1c(C)nn(C)c1C ZINC000458463044 248322400 /nfs/dbraw/zinc/32/24/00/248322400.db2.gz AETLENFDPQKMKL-ZIAGYGMSSA-N 0 0 308.426 2.114 10 30 DEEERN CC#CCN(C)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000458535141 248360852 /nfs/dbraw/zinc/36/08/52/248360852.db2.gz PMSMUBHAMDZBAP-LBPRGKRZSA-N 0 0 307.344 2.208 10 30 DEEERN CCCOC(=O)c1oc2c(c1C)/C(=N/NC(N)=S)CCC2 ZINC000040824689 183137223 /nfs/dbraw/zinc/13/72/23/183137223.db2.gz NGBVLZYMPCGLAC-CXUHLZMHSA-N 0 0 309.391 2.028 10 30 DEEERN N#Cc1ccc(Sc2nc(N)cc(=O)[nH]2)cc1C(F)(F)F ZINC000041027184 183157303 /nfs/dbraw/zinc/15/73/03/183157303.db2.gz QIPGNUIHDOBLKC-UHFFFAOYSA-N 0 0 312.276 2.394 10 30 DEEERN C[C@H](NS(=O)(=O)c1cc(N)cs1)c1ccc(C#N)cc1 ZINC000041068543 183162443 /nfs/dbraw/zinc/16/24/43/183162443.db2.gz CPUAUNRHRQMBFO-VIFPVBQESA-N 0 0 307.400 2.241 10 30 DEEERN N#C[C@H](c1cccs1)N1CCN(C(=O)c2ccco2)CC1 ZINC000041257217 183181313 /nfs/dbraw/zinc/18/13/13/183181313.db2.gz UMAUAYRENJABKZ-GFCCVEGCSA-N 0 0 301.371 2.364 10 30 DEEERN CCN(CC/C(N)=N/O)C(=O)c1ccc(Br)s1 ZINC000042453820 183271795 /nfs/dbraw/zinc/27/17/95/183271795.db2.gz NQZWUOSQROMASP-UHFFFAOYSA-N 0 0 320.212 2.109 10 30 DEEERN CN(Cc1csc(C#CCO)c1)C(=O)c1cc(Cl)c[nH]1 ZINC000042363942 183259174 /nfs/dbraw/zinc/25/91/74/183259174.db2.gz PJUPBHRBPSJIQZ-UHFFFAOYSA-N 0 0 308.790 2.346 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)C[N@H+](C)CCCC(=O)[O-] ZINC000042717920 183302018 /nfs/dbraw/zinc/30/20/18/183302018.db2.gz XUCJEEBLJWLYNL-UHFFFAOYSA-N 0 0 310.419 2.059 10 30 DEEERN CCN(Cc1ccc(OC)c(C#CCO)c1)CC(F)(F)F ZINC000042780183 183308667 /nfs/dbraw/zinc/30/86/67/183308667.db2.gz CRDRZEJIODESKV-UHFFFAOYSA-N 0 0 301.308 2.423 10 30 DEEERN CC(C)CN(CCC#N)S(=O)(=O)c1ccc([C@H](C)O)cc1 ZINC000043423110 183361976 /nfs/dbraw/zinc/36/19/76/183361976.db2.gz ADOWDHSSJCBGRD-ZDUSSCGKSA-N 0 0 310.419 2.300 10 30 DEEERN CCCC[C@@H](C)NS(=O)(=O)c1cc(C#CCO)ccc1C ZINC000050891046 183807283 /nfs/dbraw/zinc/80/72/83/183807283.db2.gz YBHZVJPKKKGMHN-CQSZACIVSA-N 0 0 309.431 2.196 10 30 DEEERN CCCNc1cc(S(=O)(=O)N(CCC#N)C(C)C)ccn1 ZINC000050675866 183799404 /nfs/dbraw/zinc/79/94/04/183799404.db2.gz MQKVVLWUEFKHCD-UHFFFAOYSA-N 0 0 310.423 2.216 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)c1cc(Br)cnc1N ZINC000050710030 183801691 /nfs/dbraw/zinc/80/16/91/183801691.db2.gz PTBBTOCVWLQRPQ-QMMMGPOBSA-N 0 0 311.183 2.048 10 30 DEEERN CC[C@@H](C#N)N1CCN(C(=O)c2cc3c(s2)CCC3)CC1 ZINC000109446187 194263379 /nfs/dbraw/zinc/26/33/79/194263379.db2.gz GWMHXZKBNZXAMY-ZDUSSCGKSA-N 0 0 303.431 2.297 10 30 DEEERN C[C@H](C#N)N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000109444968 194264165 /nfs/dbraw/zinc/26/41/65/194264165.db2.gz YUCNESVLPAYBFA-LLVKDONJSA-N 0 0 322.206 2.119 10 30 DEEERN C=CCN(C(=O)[C@@H]1CSCN1C(=O)C1CCCC1)C1CC1 ZINC000273225835 210603753 /nfs/dbraw/zinc/60/37/53/210603753.db2.gz DXDYJNLGACCEBK-AWEZNQCLSA-N 0 0 308.447 2.255 10 30 DEEERN O=C(Nc1ccc(F)cc1Cl)c1ccc(C#CCO)cn1 ZINC000061861438 184190207 /nfs/dbraw/zinc/19/02/07/184190207.db2.gz KNUDZKZDINJZSY-UHFFFAOYSA-N 0 0 304.708 2.470 10 30 DEEERN CN(c1ccc(C#N)cc1)S(=O)(=O)c1cccnc1Cl ZINC000061980142 184199615 /nfs/dbraw/zinc/19/96/15/184199615.db2.gz VNBXRNSVKFGFIE-UHFFFAOYSA-N 0 0 307.762 2.432 10 30 DEEERN CN(c1cccc(C#N)c1)S(=O)(=O)c1ccc(N)cc1F ZINC000061979709 184199668 /nfs/dbraw/zinc/19/96/68/184199668.db2.gz OTLIDXZALCHYMR-UHFFFAOYSA-N 0 0 305.334 2.105 10 30 DEEERN C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000062189484 184217694 /nfs/dbraw/zinc/21/76/94/184217694.db2.gz ABCAVZCDOLNHMA-CYBMUJFWSA-N 0 0 300.383 2.468 10 30 DEEERN CCCN[C@](C)(C#N)CSc1ccc(S(C)(=O)=O)cc1 ZINC000063131805 184272226 /nfs/dbraw/zinc/27/22/26/184272226.db2.gz LEMHGANPVCOIQZ-CQSZACIVSA-N 0 0 312.460 2.464 10 30 DEEERN C=C(C)COc1cccc(-c2cc(C(=O)N(C)C)nc(N)n2)c1 ZINC000066138768 184392162 /nfs/dbraw/zinc/39/21/62/184392162.db2.gz MWBKRBDFYVBYTN-UHFFFAOYSA-N 0 0 312.373 2.383 10 30 DEEERN CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000407958616 285049564 /nfs/dbraw/zinc/04/95/64/285049564.db2.gz RCXRWRPQLBEIAU-AAVRWANBSA-N 0 0 301.456 2.079 10 30 DEEERN C=CCNC(=O)N[C@H](CC)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000270153397 208212461 /nfs/dbraw/zinc/21/24/61/208212461.db2.gz WQPACYRTVNVOHF-HZPDHXFCSA-N 0 0 313.405 2.440 10 30 DEEERN CC1(C)CN(C(=O)c2cccc(C#CCCO)c2)CCS1 ZINC000159021602 197319656 /nfs/dbraw/zinc/31/96/56/197319656.db2.gz XBCJNHJZGSHMGX-UHFFFAOYSA-N 0 0 303.427 2.388 10 30 DEEERN C=CCn1ncc(NC[C@H](C)SC)c(Br)c1=O ZINC000158561629 197283485 /nfs/dbraw/zinc/28/34/85/197283485.db2.gz QCUMYAUTXOMGMQ-QMMMGPOBSA-N 0 0 318.240 2.355 10 30 DEEERN CC1(C)CN(S(=O)(=O)Cc2ccccc2C#N)CCS1 ZINC000158451202 197274711 /nfs/dbraw/zinc/27/47/11/197274711.db2.gz LLSYDHCTFLLQFL-UHFFFAOYSA-N 0 0 310.444 2.215 10 30 DEEERN Cc1cc(N2CCN(CC3CCCC3)C(=O)C2)c(C#N)c(C)n1 ZINC000158427641 197272029 /nfs/dbraw/zinc/27/20/29/197272029.db2.gz QWZKTHRFSVFPGJ-UHFFFAOYSA-N 0 0 312.417 2.409 10 30 DEEERN CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@H](C)CO)cc1C#N ZINC000157880400 197223125 /nfs/dbraw/zinc/22/31/25/197223125.db2.gz VDNDXNHAUNETBR-VXGBXAGGSA-N 0 0 305.378 2.484 10 30 DEEERN C#CC[C@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000157388083 197183737 /nfs/dbraw/zinc/18/37/37/197183737.db2.gz FXILIUOIMJFJBU-QMMMGPOBSA-N 0 0 311.135 2.499 10 30 DEEERN C#CCn1ncc(N[C@H]2CCC[C@H]2C)c(Br)c1=O ZINC000157417332 197186653 /nfs/dbraw/zinc/18/66/53/197186653.db2.gz OEAWLSJHNUCHBL-ZJUUUORDSA-N 0 0 310.195 2.240 10 30 DEEERN Cc1cccc(S(=O)(=O)N[C@H]2COc3ccccc32)c1C#N ZINC000156906513 197149575 /nfs/dbraw/zinc/14/95/75/197149575.db2.gz AYIMNLPKUQBGGY-AWEZNQCLSA-N 0 0 314.366 2.279 10 30 DEEERN N#CC1(NC(=O)CCNc2ccccc2[N+](=O)[O-])CCCC1 ZINC000120398815 195158573 /nfs/dbraw/zinc/15/85/73/195158573.db2.gz JRZZBTOZAQATPT-UHFFFAOYSA-N 0 0 302.334 2.349 10 30 DEEERN Cn1cc([C@@H]2CCN(C(=O)c3c(F)cc(C#N)cc3F)C2)cn1 ZINC000151908785 196744872 /nfs/dbraw/zinc/74/48/72/196744872.db2.gz DCXKKVBLTRDYDX-LLVKDONJSA-N 0 0 316.311 2.200 10 30 DEEERN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H](C#N)C1CC1 ZINC000108843027 224572530 /nfs/dbraw/zinc/57/25/30/224572530.db2.gz XAYRDUBFCZSWTM-QGZVFWFLSA-N 0 0 308.385 2.450 10 30 DEEERN CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C(=O)NC2(C#N)CC2)C1 ZINC000120996175 195276621 /nfs/dbraw/zinc/27/66/21/195276621.db2.gz GBVVMDKQYDJNKP-RYUDHWBXSA-N 0 0 307.394 2.242 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C ZINC000122854681 195511240 /nfs/dbraw/zinc/51/12/40/195511240.db2.gz ADAKRAPBSIQHSN-ZIAGYGMSSA-N 0 0 313.401 2.386 10 30 DEEERN O=C(Nc1ccc(Cl)cc1C#CCO)c1ccncc1F ZINC000125113083 195713338 /nfs/dbraw/zinc/71/33/38/195713338.db2.gz YKLNWWOGDFSDQF-UHFFFAOYSA-N 0 0 304.708 2.470 10 30 DEEERN C=CCCCOc1ccc(S(N)(=O)=O)cc1Br ZINC000127376528 195871454 /nfs/dbraw/zinc/87/14/54/195871454.db2.gz SOVCSBJYUUDHOD-UHFFFAOYSA-N 0 0 320.208 2.442 10 30 DEEERN N#Cc1ccc(Cl)c(Nc2ccc(S(N)(=O)=O)cc2N)c1 ZINC000127696549 195901645 /nfs/dbraw/zinc/90/16/45/195901645.db2.gz UPQDWXTYVBPXPK-UHFFFAOYSA-N 0 0 322.777 2.185 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cccc(CC#N)c3)[C@H]2C1 ZINC000245697300 533441669 /nfs/dbraw/zinc/44/16/69/533441669.db2.gz KSBRIQUKNBTVGU-IXDOHACOSA-N 0 0 314.385 2.161 10 30 DEEERN COc1cc(C#N)ccc1CN1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000245867490 132572275 /nfs/dbraw/zinc/57/22/75/132572275.db2.gz GISNPHBLEBRLDB-BRWVUGGUSA-N 0 0 316.401 2.335 10 30 DEEERN OCCCOCC#Cc1c[nH]c2cncc(Br)c12 ZINC000725245025 542769747 /nfs/dbraw/zinc/76/97/47/542769747.db2.gz DFRPQLRHACPQAK-UHFFFAOYSA-N 0 0 309.163 2.076 10 30 DEEERN N#Cc1ccnc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1 ZINC000357411709 133076214 /nfs/dbraw/zinc/07/62/14/133076214.db2.gz IUNGRPXOGBQWFY-UHFFFAOYSA-N 0 0 320.352 2.328 10 30 DEEERN O=C(Nc1cccc2c1OCCO2)N1CC2(C1)CCCOC2 ZINC000329610174 296535407 /nfs/dbraw/zinc/53/54/07/296535407.db2.gz BZARHXRCCHQWGI-UHFFFAOYSA-N 0 0 304.346 2.116 10 30 DEEERN C=CCc1cc(CN2CC(F)(F)C[C@@H]2CO)cc(OC)c1O ZINC000364648950 404483577 /nfs/dbraw/zinc/48/35/77/404483577.db2.gz DRQBUVVLNHEMGH-CYBMUJFWSA-N 0 0 313.344 2.331 10 30 DEEERN N#Cc1ccccc1/C=C/C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178545545 144860316 /nfs/dbraw/zinc/86/03/16/144860316.db2.gz KBMHPAQGKJNTKP-OYEZICKXSA-N 0 0 304.349 2.346 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCc1cccnc1-n1cccn1 ZINC000178584703 144861493 /nfs/dbraw/zinc/86/14/93/144861493.db2.gz XBIHEXPHEJBFRB-UHFFFAOYSA-N 0 0 317.352 2.377 10 30 DEEERN N#Cc1ccc(C2(C(=O)NC[C@@H](O)Cc3ccccc3)CC2)cc1 ZINC000188327842 145010737 /nfs/dbraw/zinc/01/07/37/145010737.db2.gz NFMPIOHRLMSLNM-SFHVURJKSA-N 0 0 320.392 2.310 10 30 DEEERN N#Cc1ccc(C[S@](=O)Cc2nc(C3CC3)no2)cc1F ZINC000190790583 145048301 /nfs/dbraw/zinc/04/83/01/145048301.db2.gz YHTGRBAUIVRDBC-NRFANRHFSA-N 0 0 305.334 2.407 10 30 DEEERN CCc1nnc(C2CCN(C(=O)c3sccc3C#N)CC2)[nH]1 ZINC000191555353 145060984 /nfs/dbraw/zinc/06/09/84/145060984.db2.gz ONQQVMFVOUCXLF-UHFFFAOYSA-N 0 0 315.402 2.320 10 30 DEEERN Cn1cnnc1-c1ccc(NC(=O)c2ccnc(C#N)c2)cc1 ZINC000193479636 145086571 /nfs/dbraw/zinc/08/65/71/145086571.db2.gz GMTOUDSUQBKIKK-UHFFFAOYSA-N 0 0 304.313 2.001 10 30 DEEERN COC[C@@H](NC(=O)c1ccnc(C#N)c1)c1ccc(F)c(F)c1 ZINC000193750408 145089854 /nfs/dbraw/zinc/08/98/54/145089854.db2.gz DEPVGYCLDQYRLS-OAHLLOKOSA-N 0 0 317.295 2.349 10 30 DEEERN N#Cc1ccc(F)c(CNC(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)c1 ZINC000251800466 145196024 /nfs/dbraw/zinc/19/60/24/145196024.db2.gz MFOCYBQEELZCSM-CFVMTHIKSA-N 0 0 303.337 2.064 10 30 DEEERN CSCCCCCNS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000336844148 145399511 /nfs/dbraw/zinc/39/95/11/145399511.db2.gz YNBXVBJURXEDFY-UHFFFAOYSA-N 0 0 313.448 2.073 10 30 DEEERN CCOCc1nc([C@H](C)NC(=O)c2sccc2C#N)no1 ZINC000359492818 147337462 /nfs/dbraw/zinc/33/74/62/147337462.db2.gz JZSJRNSJNFQVTF-QMMMGPOBSA-N 0 0 306.347 2.030 10 30 DEEERN C[C@@H]1CN(C(=O)c2sccc2C#N)c2ccccc2C(=O)N1 ZINC000361140682 147453675 /nfs/dbraw/zinc/45/36/75/147453675.db2.gz COCVBOFIEMQXNH-SNVBAGLBSA-N 0 0 311.366 2.398 10 30 DEEERN N#Cc1ccc(CN2CCn3c(nnc3-c3cccnc3)C2)s1 ZINC000371331211 148088592 /nfs/dbraw/zinc/08/85/92/148088592.db2.gz FYMPFCSTYZWPNC-UHFFFAOYSA-N 0 0 322.397 2.289 10 30 DEEERN Cc1csc(NC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC000375077427 148328283 /nfs/dbraw/zinc/32/82/83/148328283.db2.gz UGZDLUPDMRSZFX-UHFFFAOYSA-N 0 0 315.402 2.368 10 30 DEEERN COCc1nccc([C@H]2CCCN(c3ccncc3C#N)C2)n1 ZINC000375402713 148367871 /nfs/dbraw/zinc/36/78/71/148367871.db2.gz KRTYVWGREVNINB-ZDUSSCGKSA-N 0 0 309.373 2.274 10 30 DEEERN N#Cc1cccc(C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375589934 148388735 /nfs/dbraw/zinc/38/87/35/148388735.db2.gz DUKNWPREDHOMHC-AWEZNQCLSA-N 0 0 308.341 2.448 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408066579 148559790 /nfs/dbraw/zinc/55/97/90/148559790.db2.gz ZQYDTBTZXJBFTE-MJBXVCDLSA-N 0 0 320.414 2.012 10 30 DEEERN CO[C@H]1C[C@@H](C(=O)NC2CCC3(CCOCC3)CC2)N(C)C1 ZINC000329001605 286079885 /nfs/dbraw/zinc/07/98/85/286079885.db2.gz XPQFSEPCQJOTNG-GJZGRUSLSA-N 0 0 310.438 2.401 10 30 DEEERN N#Cc1ccccc1/C=C/C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000073921107 401724665 /nfs/dbraw/zinc/72/46/65/401724665.db2.gz CVJQJVBHQRNBFZ-GJBLVYBDSA-N 0 0 310.275 2.097 10 30 DEEERN CN(C(=O)c1cnc(-c2cnn(C)c2)s1)C1(C#N)CCC1 ZINC000112195059 401733100 /nfs/dbraw/zinc/73/31/00/401733100.db2.gz QBOLTNLATWWEAP-UHFFFAOYSA-N 0 0 301.375 2.062 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCCc1cscn1 ZINC000110807802 401694764 /nfs/dbraw/zinc/69/47/64/401694764.db2.gz JSYQMSVKBACWTI-LLVKDONJSA-N 0 0 301.371 2.141 10 30 DEEERN Cc1ccc(S(=O)(=O)OC[C@H]2C[C@H]3CC[C@@H]2[C@@H](O)C3)cc1 ZINC000013466720 401799877 /nfs/dbraw/zinc/79/98/77/401799877.db2.gz VCJFSTFQGVERGM-VDERGJSUSA-N 0 0 310.415 2.497 10 30 DEEERN C=CCCCN(C)C(=O)NCCc1cccc(C(=O)NC)c1 ZINC000128203517 401767159 /nfs/dbraw/zinc/76/71/59/401767159.db2.gz VZTQOCWLJABLMS-UHFFFAOYSA-N 0 0 303.406 2.196 10 30 DEEERN COCc1csc(NC(=O)COc2ccccc2C#N)n1 ZINC000115245859 401822138 /nfs/dbraw/zinc/82/21/38/401822138.db2.gz BYZCQGCBCCVLAO-UHFFFAOYSA-N 0 0 303.343 2.179 10 30 DEEERN N#CC1(NC(=O)C2=Cc3cc(Cl)ccc3OC2)CCOCC1 ZINC000115464417 401829089 /nfs/dbraw/zinc/82/90/89/401829089.db2.gz OTLYSFITOJJSFS-UHFFFAOYSA-N 0 0 318.760 2.305 10 30 DEEERN C#CCSCCNC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000130387436 401829913 /nfs/dbraw/zinc/82/99/13/401829913.db2.gz YRWHCQLDWVYMQK-UHFFFAOYSA-N 0 0 318.320 2.119 10 30 DEEERN CCN([C@@H](C)c1cccnc1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000115588963 401833187 /nfs/dbraw/zinc/83/31/87/401833187.db2.gz UAAVDAHDRLIPCZ-LBPRGKRZSA-N 0 0 316.386 2.120 10 30 DEEERN C=CCNC(=O)c1ccccc1NCC(=O)NC(C)(C)CC ZINC000025722236 401836725 /nfs/dbraw/zinc/83/67/25/401836725.db2.gz GXBQWQJCSKRBIP-UHFFFAOYSA-N 0 0 303.406 2.319 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116112380 401841981 /nfs/dbraw/zinc/84/19/81/401841981.db2.gz ZBXFYXHVILOHNU-DZGCQCFKSA-N 0 0 324.384 2.075 10 30 DEEERN C=CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000116934306 401864759 /nfs/dbraw/zinc/86/47/59/401864759.db2.gz YTJQMKLBOLZSRE-NEPJUHHUSA-N 0 0 310.419 2.415 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2cc(F)ccc2O)cc1 ZINC000080031066 401887372 /nfs/dbraw/zinc/88/73/72/401887372.db2.gz LLTCRCWRJLGELC-UHFFFAOYSA-N 0 0 300.289 2.212 10 30 DEEERN COC(=O)Cc1ccccc1NC(=O)COc1ccccc1C#N ZINC000080060817 401887622 /nfs/dbraw/zinc/88/76/22/401887622.db2.gz PKHPJUVAKWYDKN-UHFFFAOYSA-N 0 0 324.336 2.291 10 30 DEEERN CN(CCOc1ccccc1F)C(=O)c1cc(C#N)cn1C ZINC000080973966 401893170 /nfs/dbraw/zinc/89/31/70/401893170.db2.gz FSYZKERGGIMZJI-UHFFFAOYSA-N 0 0 301.321 2.187 10 30 DEEERN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C#N)nc2)cc1F ZINC000119466203 401952686 /nfs/dbraw/zinc/95/26/86/401952686.db2.gz JISLLTHMUISEJU-LLVKDONJSA-N 0 0 319.361 2.440 10 30 DEEERN CC(C)(C)C1CCC(O)(CNC(=O)C2(C#N)CCOCC2)CC1 ZINC000136470682 401968524 /nfs/dbraw/zinc/96/85/24/401968524.db2.gz BZXOQQLPFLRXHD-UHFFFAOYSA-N 0 0 322.449 2.390 10 30 DEEERN C#CCCCCC(=O)NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000119983055 401973152 /nfs/dbraw/zinc/97/31/52/401973152.db2.gz OCDUDJRQJKNOBK-UHFFFAOYSA-N 0 0 312.373 2.086 10 30 DEEERN N#Cc1cccnc1N1CCN(CCC(=O)c2ccccc2)CC1 ZINC000144418719 401991146 /nfs/dbraw/zinc/99/11/46/401991146.db2.gz CMWBAPPIJWMFPY-UHFFFAOYSA-N 0 0 320.396 2.348 10 30 DEEERN CC(=O)N(C)CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091101531 401994095 /nfs/dbraw/zinc/99/40/95/401994095.db2.gz RMHOJPAHOJZDNZ-UHFFFAOYSA-N 0 0 321.380 2.320 10 30 DEEERN C=CCCCN(C)C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 ZINC000135658744 401949837 /nfs/dbraw/zinc/94/98/37/401949837.db2.gz SVBABEGPZKHUEF-UHFFFAOYSA-N 0 0 301.394 2.465 10 30 DEEERN COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(C#N)cc1 ZINC000151191865 402022238 /nfs/dbraw/zinc/02/22/38/402022238.db2.gz ZGMWWITWZQWDGQ-DOMZBBRYSA-N 0 0 311.389 2.482 10 30 DEEERN C=CCCS(=O)(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000121505192 402040719 /nfs/dbraw/zinc/04/07/19/402040719.db2.gz ANDHOCVUOUGQFX-LLVKDONJSA-N 0 0 316.373 2.039 10 30 DEEERN Cc1cccnc1CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000152565827 402101067 /nfs/dbraw/zinc/10/10/67/402101067.db2.gz OACFJMLORLNWCE-UHFFFAOYSA-N 0 0 322.368 2.235 10 30 DEEERN C#CCOCCC(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000153428735 402144401 /nfs/dbraw/zinc/14/44/01/402144401.db2.gz QNHUYXRGDDRMFC-XJKSGUPXSA-N 0 0 305.349 2.154 10 30 DEEERN CC(C)CCN(CCC#N)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000103440186 402187843 /nfs/dbraw/zinc/18/78/43/402187843.db2.gz FQJJPYDLBJMICD-UHFFFAOYSA-N 0 0 314.389 2.118 10 30 DEEERN C=CCOCCCC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000154052710 402189312 /nfs/dbraw/zinc/18/93/12/402189312.db2.gz DABJNYSYVJHSMB-UHFFFAOYSA-N 0 0 305.300 2.038 10 30 DEEERN C=CCOc1cccc(NC(=O)NCCc2nc(C)no2)c1 ZINC000102033415 402161976 /nfs/dbraw/zinc/16/19/76/402161976.db2.gz BRAFIEHTLKSMAV-UHFFFAOYSA-N 0 0 302.334 2.307 10 30 DEEERN C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CNC(=O)C1 ZINC000108981687 402265689 /nfs/dbraw/zinc/26/56/89/402265689.db2.gz MXDXEZUDIJAWGZ-MNOVXSKESA-N 0 0 303.387 2.155 10 30 DEEERN CCOCCN(CC)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000107702462 402238792 /nfs/dbraw/zinc/23/87/92/402238792.db2.gz UUNGMXOJRCPBEW-UHFFFAOYSA-N 0 0 316.810 2.259 10 30 DEEERN CCN(CC(=O)Nc1c(C)cccc1C)c1cnc(C#N)cn1 ZINC000125657946 402243666 /nfs/dbraw/zinc/24/36/66/402243666.db2.gz LRNGRLYENVHNQI-UHFFFAOYSA-N 0 0 309.373 2.430 10 30 DEEERN C=C[C@@H](CC(=O)N1CCC[C@H](NC(C)=O)C1)c1ccccc1 ZINC000155279739 402251537 /nfs/dbraw/zinc/25/15/37/402251537.db2.gz CRPOHJXDFBXAPX-RDJZCZTQSA-N 0 0 300.402 2.473 10 30 DEEERN CO[C@@H](C)c1cccc(NCC(=O)N(CCC#N)CCC#N)c1 ZINC000126058271 402262019 /nfs/dbraw/zinc/26/20/19/402262019.db2.gz GBFTYUNPXNODDD-AWEZNQCLSA-N 0 0 314.389 2.462 10 30 DEEERN N#C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000108831990 402262654 /nfs/dbraw/zinc/26/26/54/402262654.db2.gz KWQHTYLWINEJHQ-ZDUSSCGKSA-N 0 0 300.318 2.201 10 30 DEEERN C#CCC(C)(C)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000185065762 402321842 /nfs/dbraw/zinc/32/18/42/402321842.db2.gz YEHQYSQSRXLYPL-UHFFFAOYSA-N 0 0 310.401 2.485 10 30 DEEERN C[C@@H]1CN([C@@H](CNC(=O)C(C)(C)C#N)c2cccs2)CCO1 ZINC000176597187 402322139 /nfs/dbraw/zinc/32/21/39/402322139.db2.gz FWWUYFJMSGDGRJ-OLZOCXBDSA-N 0 0 321.446 2.176 10 30 DEEERN C=C(C)CNC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000156335166 402280076 /nfs/dbraw/zinc/28/00/76/402280076.db2.gz ZLFCEPYJCWTSGN-CQSZACIVSA-N 0 0 303.406 2.397 10 30 DEEERN CO[C@@H](C)c1nc(C)c(C(=O)N(CCC#N)CCC#N)s1 ZINC000176128521 402282001 /nfs/dbraw/zinc/28/20/01/402282001.db2.gz CZNFTWJAOHWPNL-NSHDSACASA-N 0 0 306.391 2.428 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000184790219 402300106 /nfs/dbraw/zinc/30/01/06/402300106.db2.gz ZRGZBMZIOMQMKO-UHFFFAOYSA-N 0 0 311.329 2.032 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(F)cc3C#N)[C@@H]2C1 ZINC000158006545 402300670 /nfs/dbraw/zinc/30/06/70/402300670.db2.gz DALJONRXOAZKOF-BRWVUGGUSA-N 0 0 304.365 2.466 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N(CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000185109836 402325419 /nfs/dbraw/zinc/32/54/19/402325419.db2.gz VLDIYPGWTXOMCC-KGLIPLIRSA-N 0 0 301.452 2.405 10 30 DEEERN C=CCCS(=O)(=O)NCc1nc2ccccc2n1C1CC1 ZINC000185119366 402325673 /nfs/dbraw/zinc/32/56/73/402325673.db2.gz MOPOUOIPUJXLKT-UHFFFAOYSA-N 0 0 305.403 2.367 10 30 DEEERN C[C@@H](C(=O)OC(C)(C)C)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000176421692 402307530 /nfs/dbraw/zinc/30/75/30/402307530.db2.gz FKALDBBOHYDWEX-LBPRGKRZSA-N 0 0 317.389 2.159 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000185901234 402387684 /nfs/dbraw/zinc/38/76/84/402387684.db2.gz GCBLSFJJKHWJBT-WDEREUQCSA-N 0 0 310.375 2.129 10 30 DEEERN C=CCN(CC=C)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160800162 402361430 /nfs/dbraw/zinc/36/14/30/402361430.db2.gz ZAVUFLDSYHBPRK-UHFFFAOYSA-N 0 0 302.300 2.323 10 30 DEEERN N#Cc1ccc(CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160875171 402363593 /nfs/dbraw/zinc/36/35/93/402363593.db2.gz SKHFWDBOTOPLNT-SJLPKXTDSA-N 0 0 313.401 2.395 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000185908468 402388119 /nfs/dbraw/zinc/38/81/19/402388119.db2.gz STHZFAJVROZVLC-UHFFFAOYSA-N 0 0 317.352 2.284 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(OC)c(Br)s1 ZINC000185690404 402369850 /nfs/dbraw/zinc/36/98/50/402369850.db2.gz XYLQYNDGPQAXJX-SSDOTTSWSA-N 0 0 320.208 2.186 10 30 DEEERN CN(C)C(=O)Sc1ccc(CN2CCOC[C@H]2C#N)cc1 ZINC000177107994 402370670 /nfs/dbraw/zinc/37/06/70/402370670.db2.gz DZBZTXSMQKIDFW-CYBMUJFWSA-N 0 0 305.403 2.185 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCCc1nc(-c2cccs2)no1 ZINC000185745759 402373494 /nfs/dbraw/zinc/37/34/94/402373494.db2.gz ADTNMNLBSUGPJF-NSHDSACASA-N 0 0 321.402 2.174 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC000185796646 402377503 /nfs/dbraw/zinc/37/75/03/402377503.db2.gz SDVXKZXICYKWGG-HNNXBMFYSA-N 0 0 313.401 2.085 10 30 DEEERN CNc1cc(N2CCC[C@@H]2CNc2nc(C)ccc2C#N)ncn1 ZINC000161212247 402377581 /nfs/dbraw/zinc/37/75/81/402377581.db2.gz MAIXSPDTZOGJMF-CQSZACIVSA-N 0 0 323.404 2.174 10 30 DEEERN Cc1ccc(C#N)c(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1 ZINC000161214603 402377918 /nfs/dbraw/zinc/37/79/18/402377918.db2.gz BSUBFMGPHUDQLT-OAHLLOKOSA-N 0 0 308.389 2.157 10 30 DEEERN Cc1nccn1C[C@H]1CCCN1C(=O)Cc1ccc(C#N)cc1 ZINC000177186297 402379755 /nfs/dbraw/zinc/37/97/55/402379755.db2.gz MDURKKDQVZDILX-QGZVFWFLSA-N 0 0 308.385 2.297 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000185873718 402384593 /nfs/dbraw/zinc/38/45/93/402384593.db2.gz OGZOUHZALMUTBF-DLBZAZTESA-N 0 0 320.408 2.233 10 30 DEEERN C=CCN(C)C(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000161377425 402385290 /nfs/dbraw/zinc/38/52/90/402385290.db2.gz VJDDMMQMMPFDLP-UHFFFAOYSA-N 0 0 305.397 2.226 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1 ZINC000185211217 402334900 /nfs/dbraw/zinc/33/49/00/402334900.db2.gz XPZGAVDMKWQADM-AWEZNQCLSA-N 0 0 319.405 2.192 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(COc2ccccc2F)on1 ZINC000185237591 402337569 /nfs/dbraw/zinc/33/75/69/402337569.db2.gz OTXHHMDCQNREBA-LLVKDONJSA-N 0 0 320.320 2.060 10 30 DEEERN C#C[C@@H](C)NC(=O)N1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000185983468 402395012 /nfs/dbraw/zinc/39/50/12/402395012.db2.gz NIGVAPPJSXCQRS-OLZOCXBDSA-N 0 0 302.374 2.224 10 30 DEEERN COC(=O)CN(CC#N)Cc1csc(Br)c1 ZINC000177617619 402420910 /nfs/dbraw/zinc/42/09/10/402420910.db2.gz RHRPPOKOTAMVKR-UHFFFAOYSA-N 0 0 303.181 2.009 10 30 DEEERN C=C(C)COCCNC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000178000408 402451090 /nfs/dbraw/zinc/45/10/90/402451090.db2.gz HRLGEJAHBONPQW-LBPRGKRZSA-N 0 0 306.362 2.368 10 30 DEEERN COC(=O)C[C@H](C)S(=O)(=O)Cc1ccc(C#N)cc1Cl ZINC000163125316 402442434 /nfs/dbraw/zinc/44/24/34/402442434.db2.gz MVQPPWCZFJXNKY-VIFPVBQESA-N 0 0 315.778 2.078 10 30 DEEERN C=CCOCCCC(=O)N1CC[S@@](=O)C(CC)(CC)C1 ZINC000186783217 402464125 /nfs/dbraw/zinc/46/41/25/402464125.db2.gz LUWUXOFFUDFMBK-HXUWFJFHSA-N 0 0 301.452 2.119 10 30 DEEERN C[C@H](NC(=O)c1cccc(CC#N)c1)c1nnc2n1CCCC2 ZINC000178340477 402487106 /nfs/dbraw/zinc/48/71/06/402487106.db2.gz MZQKWEOQLRDQAY-LBPRGKRZSA-N 0 0 309.373 2.171 10 30 DEEERN N#Cc1ccc(CCC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000178352155 402488079 /nfs/dbraw/zinc/48/80/79/402488079.db2.gz SFFZXBJIKRELNZ-MJGOQNOKSA-N 0 0 306.365 2.265 10 30 DEEERN C=C(C)CN(CC)C(=O)C[S@@](=O)Cc1ccc(C)nc1C ZINC000187215376 402488420 /nfs/dbraw/zinc/48/84/20/402488420.db2.gz WYQJYOGWQOOIDL-NRFANRHFSA-N 0 0 308.447 2.372 10 30 DEEERN CC#CCNC(=O)NCc1ccc(Br)cc1OC ZINC000187316898 402493975 /nfs/dbraw/zinc/49/39/75/402493975.db2.gz FHIYICCMFDWTCS-UHFFFAOYSA-N 0 0 311.179 2.280 10 30 DEEERN Cn1ccnc1CC1CCN(C(=O)NCCCCC#N)CC1 ZINC000178887916 402550629 /nfs/dbraw/zinc/55/06/29/402550629.db2.gz DLWIPENTPNBXAI-UHFFFAOYSA-N 0 0 303.410 2.078 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000189687693 402552161 /nfs/dbraw/zinc/55/21/61/402552161.db2.gz RHOSCUAOBRZWSI-SJORKVTESA-N 0 0 317.433 2.276 10 30 DEEERN Cn1ccnc1-c1cc(NC(=O)c2cccc(CC#N)c2)n(C)n1 ZINC000178647495 402521219 /nfs/dbraw/zinc/52/12/19/402521219.db2.gz CFYRPITYJYGKGW-UHFFFAOYSA-N 0 0 320.356 2.139 10 30 DEEERN N#Cc1ccccc1CN1CCN(c2ncccc2C#N)CC1 ZINC000247658420 402573840 /nfs/dbraw/zinc/57/38/40/402573840.db2.gz QWDXKWJRBSMINB-UHFFFAOYSA-N 0 0 303.369 2.147 10 30 DEEERN N#Cc1cccnc1N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000247658263 402573865 /nfs/dbraw/zinc/57/38/65/402573865.db2.gz QONUPCBZGIVGAU-UHFFFAOYSA-N 0 0 323.356 2.184 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cc(C#N)cs3)[C@@H]2C1 ZINC000179294433 402583946 /nfs/dbraw/zinc/58/39/46/402583946.db2.gz QQMVBGCCHWSAJB-UPJWGTAASA-N 0 0 306.387 2.028 10 30 DEEERN N#CCOc1cccc(CC(=O)NCCCc2ccccn2)c1 ZINC000179428452 402589289 /nfs/dbraw/zinc/58/92/89/402589289.db2.gz ZYOGUWRWTOTKEZ-UHFFFAOYSA-N 0 0 309.369 2.275 10 30 DEEERN N#CCCN(C(=O)Cn1ccnc1C#N)c1cccc(Cl)c1 ZINC000179870132 402602724 /nfs/dbraw/zinc/60/27/24/402602724.db2.gz RQGRZSJDLTWUBY-UHFFFAOYSA-N 0 0 313.748 2.355 10 30 DEEERN Cc1cc(C)c(C#N)c(N2CCN(c3ncccc3C#N)CC2)n1 ZINC000247876383 402577582 /nfs/dbraw/zinc/57/75/82/402577582.db2.gz AGMADRYMPCKQPQ-UHFFFAOYSA-N 0 0 318.384 2.163 10 30 DEEERN C#CCOc1ccc(C(=O)N2CC(=O)Nc3c(C)ccnc32)cc1 ZINC000181055352 402633795 /nfs/dbraw/zinc/63/37/95/402633795.db2.gz LKEZAEWTBBDUGO-UHFFFAOYSA-N 0 0 321.336 2.001 10 30 DEEERN CC(C)[C@H](C)CNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000172507474 402659531 /nfs/dbraw/zinc/65/95/31/402659531.db2.gz WLFCGPBHNWIHRG-CQSZACIVSA-N 0 0 315.421 2.077 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000172433751 402655668 /nfs/dbraw/zinc/65/56/68/402655668.db2.gz BTCDMXYLKSZCKX-KGLIPLIRSA-N 0 0 302.374 2.025 10 30 DEEERN C=CC[C@H](CO)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000182659848 402706749 /nfs/dbraw/zinc/70/67/49/402706749.db2.gz HMINNVKLIAMUSY-SNVBAGLBSA-N 0 0 309.309 2.329 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000182772957 402715151 /nfs/dbraw/zinc/71/51/51/402715151.db2.gz DSHVYNZDDGELGY-LBPRGKRZSA-N 0 0 302.296 2.442 10 30 DEEERN N#Cc1ccc(CNC(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000172539818 402661421 /nfs/dbraw/zinc/66/14/21/402661421.db2.gz UQGFLCQAPPGCBV-UHFFFAOYSA-N 0 0 309.373 2.371 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000253549769 402668486 /nfs/dbraw/zinc/66/84/86/402668486.db2.gz LPCIRNISAVYQIR-FRRDWIJNSA-N 0 0 309.410 2.440 10 30 DEEERN C[C@H](NC(=O)C1(C#N)CCOCC1)c1cccc(-n2ccnc2)c1 ZINC000173921206 402719183 /nfs/dbraw/zinc/71/91/83/402719183.db2.gz MASFLAWUCYYUOV-AWEZNQCLSA-N 0 0 324.384 2.370 10 30 DEEERN Cc1ccccc1-n1nc(C#N)c(N2CCCC[C@@H]2CCO)n1 ZINC000256046944 402699497 /nfs/dbraw/zinc/69/94/97/402699497.db2.gz JETAFRQUIMXCNS-CQSZACIVSA-N 0 0 311.389 2.189 10 30 DEEERN C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccc2)c1)C(N)=O ZINC000192912470 402756455 /nfs/dbraw/zinc/75/64/55/402756455.db2.gz PJJQOFYKPSHAAP-CYBMUJFWSA-N 0 0 307.353 2.082 10 30 DEEERN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000174910124 402762651 /nfs/dbraw/zinc/76/26/51/402762651.db2.gz YYEZKAWTKZAKPN-AWEZNQCLSA-N 0 0 300.358 2.362 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000183468811 402770313 /nfs/dbraw/zinc/77/03/13/402770313.db2.gz YSYHMKYGMYQRAS-AWEZNQCLSA-N 0 0 303.362 2.094 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(/C=C/C(=O)OCC)cc1 ZINC000183948618 402807603 /nfs/dbraw/zinc/80/76/03/402807603.db2.gz QNZKZPNQOMZDTI-KUCQQTCKSA-N 0 0 318.373 2.321 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000183973059 402809944 /nfs/dbraw/zinc/80/99/44/402809944.db2.gz LDCYPQWVWSKDGY-DTWKUNHWSA-N 0 0 314.311 2.342 10 30 DEEERN COc1cc(N2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)ncn1 ZINC000184063819 402815074 /nfs/dbraw/zinc/81/50/74/402815074.db2.gz UGIIZEVWSBNFBM-AWEZNQCLSA-N 0 0 323.400 2.240 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000183627928 402783320 /nfs/dbraw/zinc/78/33/20/402783320.db2.gz LDENECKLAMMHCB-AAEUAGOBSA-N 0 0 312.797 2.344 10 30 DEEERN CCc1ccnc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC000183646969 402785414 /nfs/dbraw/zinc/78/54/14/402785414.db2.gz TXZGCACOYLBNAT-UHFFFAOYSA-N 0 0 318.340 2.349 10 30 DEEERN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(c2cc[nH]n2)CC1 ZINC000195506439 402848036 /nfs/dbraw/zinc/84/80/36/402848036.db2.gz ORCUASSKZRWQNK-ZDUSSCGKSA-N 0 0 323.400 2.488 10 30 DEEERN C=CCC[C@@H](C(=O)N1CC[C@@]2(CNC(=O)C2)C1)c1ccccc1 ZINC000278878611 402881305 /nfs/dbraw/zinc/88/13/05/402881305.db2.gz CSPMIQARVYZAHG-VQIMIIECSA-N 0 0 312.413 2.475 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 ZINC000265783501 402949731 /nfs/dbraw/zinc/94/97/31/402949731.db2.gz KXNWBBBNBGJADF-HEHGZKQESA-N 0 0 314.385 2.495 10 30 DEEERN C=CCN(C(=O)[C@@H]1CSCN1C(=O)c1ccccc1)C1CC1 ZINC000273333410 402995407 /nfs/dbraw/zinc/99/54/07/402995407.db2.gz ZYDWPPSJFHSFNL-HNNXBMFYSA-N 0 0 316.426 2.379 10 30 DEEERN CC(=O)N(C)CCc1noc(-c2ccc(C3(C#N)CC3)cc2)n1 ZINC000273788018 403027987 /nfs/dbraw/zinc/02/79/87/403027987.db2.gz HLCQIZRTTSFKHP-UHFFFAOYSA-N 0 0 310.357 2.313 10 30 DEEERN C=CCCCNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000280238094 402978878 /nfs/dbraw/zinc/97/88/78/402978878.db2.gz YBRJNEIJSFSQGI-LBPRGKRZSA-N 0 0 310.419 2.417 10 30 DEEERN C=CC[C@H](CO)Nc1cnn(Cc2ccccc2)c(=O)c1Cl ZINC000273202228 402981981 /nfs/dbraw/zinc/98/19/81/402981981.db2.gz FJYNDINDNHBJNL-CYBMUJFWSA-N 0 0 319.792 2.294 10 30 DEEERN C#CCC1(C(=O)N2CCN(c3cccnn3)CC2)CCCCC1 ZINC000276280274 403160145 /nfs/dbraw/zinc/16/01/45/403160145.db2.gz LCNQPEGAUWPSGH-UHFFFAOYSA-N 0 0 312.417 2.099 10 30 DEEERN C=CCn1c(C)nnc1N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000282443373 403154366 /nfs/dbraw/zinc/15/43/66/403154366.db2.gz ZQGPDHRYKLEVER-ZDUSSCGKSA-N 0 0 306.410 2.331 10 30 DEEERN C=CCn1c(C2CC2)nnc1N(C)Cc1nc([C@H](C)OC)no1 ZINC000282672858 403158301 /nfs/dbraw/zinc/15/83/01/403158301.db2.gz SAYGCJBCPZGKFL-JTQLQIEISA-N 0 0 318.381 2.068 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000277323188 403205352 /nfs/dbraw/zinc/20/53/52/403205352.db2.gz CKCFTHUEKBZSCB-GOSISDBHSA-N 0 0 322.408 2.269 10 30 DEEERN C#CCCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000270647025 403208727 /nfs/dbraw/zinc/20/87/27/403208727.db2.gz LBNMUKXGCJMMLL-LSDHHAIUSA-N 0 0 307.344 2.033 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCOC[C@H]2C)cc1 ZINC000277495600 403223481 /nfs/dbraw/zinc/22/34/81/403223481.db2.gz NQWKRXJATJUUGI-IUODEOHRSA-N 0 0 317.389 2.149 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N[C@H]1CCOC[C@@H]1C ZINC000277687181 403245680 /nfs/dbraw/zinc/24/56/80/403245680.db2.gz QPVXEZJMLMYWQE-ZFWWWQNUSA-N 0 0 304.390 2.476 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@H](C)CO ZINC000284217621 403254781 /nfs/dbraw/zinc/25/47/81/403254781.db2.gz JCVTVLLWHWSRHM-CYBMUJFWSA-N 0 0 318.417 2.316 10 30 DEEERN C=CCCOCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342761201 403339049 /nfs/dbraw/zinc/33/90/49/403339049.db2.gz RWSCIRPZSOEULR-UHFFFAOYSA-N 0 0 314.288 2.124 10 30 DEEERN C=CCOc1ccccc1C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C ZINC000286006171 403429151 /nfs/dbraw/zinc/42/91/51/403429151.db2.gz SJVOUKALZWKMHS-CJNGLKHVSA-N 0 0 321.417 2.139 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000298527318 403404929 /nfs/dbraw/zinc/40/49/29/403404929.db2.gz ZZJDTZNRHFJDNE-INIZCTEOSA-N 0 0 300.402 2.427 10 30 DEEERN C=CCCCS(=O)(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000293442135 403473221 /nfs/dbraw/zinc/47/32/21/403473221.db2.gz OQYPLJNPGCKOTM-HNNXBMFYSA-N 0 0 322.430 2.020 10 30 DEEERN C=CCCN(C)C(=O)C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000345793268 403486526 /nfs/dbraw/zinc/48/65/26/403486526.db2.gz GELIWAMIWMLZLP-NSHDSACASA-N 0 0 310.344 2.219 10 30 DEEERN C=CCC(F)(F)C(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000293508017 403490567 /nfs/dbraw/zinc/49/05/67/403490567.db2.gz XSSVOHUKSIBIMX-NWDGAFQWSA-N 0 0 315.316 2.142 10 30 DEEERN C=CCCCCCCNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000286712069 403544135 /nfs/dbraw/zinc/54/41/35/403544135.db2.gz MUSJDCLPPAVFJN-UHFFFAOYSA-N 0 0 310.419 2.200 10 30 DEEERN C=CCCCCNC(=O)C(=O)NCCc1cccc2[nH]ccc21 ZINC000287021445 403552812 /nfs/dbraw/zinc/55/28/12/403552812.db2.gz GLRYDNKAUPINSL-UHFFFAOYSA-N 0 0 313.401 2.299 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000346366141 403587041 /nfs/dbraw/zinc/58/70/41/403587041.db2.gz HLZVDCFFZHDNHZ-RDTXWAMCSA-N 0 0 318.417 2.107 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC000287729673 403656168 /nfs/dbraw/zinc/65/61/68/403656168.db2.gz KJOXIJJJKXITTK-UHFFFAOYSA-N 0 0 300.333 2.129 10 30 DEEERN N#Cc1cc(F)ccc1NCCNc1nnnn1-c1ccccc1 ZINC000301769758 403676718 /nfs/dbraw/zinc/67/67/18/403676718.db2.gz CYLOUAAQXNPPPB-UHFFFAOYSA-N 0 0 323.335 2.197 10 30 DEEERN C#CCNC(=O)c1ccc(NCc2ccc(Cl)cn2)nc1 ZINC000301993598 403706233 /nfs/dbraw/zinc/70/62/33/403706233.db2.gz GTAGSGGJKSRMEI-UHFFFAOYSA-N 0 0 300.749 2.105 10 30 DEEERN C#CCNC(=O)c1ccc(NC[C@@]2(O)CCCC(C)(C)C2)nc1 ZINC000302469523 403711446 /nfs/dbraw/zinc/71/14/46/403711446.db2.gz CJNWKZUQSGDATD-GOSISDBHSA-N 0 0 315.417 2.188 10 30 DEEERN C#CCNC(=O)CNc1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000302721555 403716403 /nfs/dbraw/zinc/71/64/03/403716403.db2.gz HSADVCMQGNVYMX-UHFFFAOYSA-N 0 0 316.723 2.060 10 30 DEEERN N#Cc1ccc(N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)nc1 ZINC000302748175 403721148 /nfs/dbraw/zinc/72/11/48/403721148.db2.gz UFHHLBKAAKMVCD-OAHLLOKOSA-N 0 0 310.332 2.305 10 30 DEEERN C=CCOc1ccc(CNC(=O)N[C@H]2CCOC[C@H]2C)cc1 ZINC000288521263 403756835 /nfs/dbraw/zinc/75/68/35/403756835.db2.gz CJEFGJZGDOTSJJ-CJNGLKHVSA-N 0 0 304.390 2.476 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1Cc2ccccc2C1 ZINC000289317796 403909260 /nfs/dbraw/zinc/90/92/60/403909260.db2.gz BELXWRAMZZHRHD-OAHLLOKOSA-N 0 0 312.373 2.072 10 30 DEEERN C#Cc1ccc(CNC(=O)[C@@H]2CCCN2CC(F)(F)F)cc1 ZINC000295444133 403927902 /nfs/dbraw/zinc/92/79/02/403927902.db2.gz LQFMGWQDBWTMOH-AWEZNQCLSA-N 0 0 310.319 2.311 10 30 DEEERN C=C[C@](C)(CC)C(=O)N[C@@H](Cc1ccccn1)C(=O)OCC ZINC000362179661 403933221 /nfs/dbraw/zinc/93/32/21/403933221.db2.gz FVPWEFRJXXNSDG-WMLDXEAASA-N 0 0 304.390 2.274 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N(CC)C[C@@H](C)CC ZINC000289859671 404004060 /nfs/dbraw/zinc/00/40/60/404004060.db2.gz YMLVUSYCBLYDFM-UONOGXRCSA-N 0 0 308.426 2.424 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000290047355 404018027 /nfs/dbraw/zinc/01/80/27/404018027.db2.gz ACXXOQUSTGYAKA-UHFFFAOYSA-N 0 0 315.391 2.270 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@H](c1cccnc1)C(C)C ZINC000290241602 404095928 /nfs/dbraw/zinc/09/59/28/404095928.db2.gz SBTJMOBZWZHCIH-INIZCTEOSA-N 0 0 317.433 2.362 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cncn1C ZINC000348264361 404055067 /nfs/dbraw/zinc/05/50/67/404055067.db2.gz CZRPLUIKHWTDSW-UHFFFAOYSA-N 0 0 300.318 2.157 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N(Cc2ccc(SC)cc2)C1=O ZINC000348489472 404072701 /nfs/dbraw/zinc/07/27/01/404072701.db2.gz UWRRBWILQHAYFQ-ZDUSSCGKSA-N 0 0 306.387 2.032 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)c3ccc(C)n3C)C2)n1 ZINC000328615501 404115470 /nfs/dbraw/zinc/11/54/70/404115470.db2.gz YSXUNQOJYDDINJ-ZDUSSCGKSA-N 0 0 315.377 2.225 10 30 DEEERN CC[C@@H](C)OCC(=O)N1CC[C@H](n2ccc(NC(C)=O)n2)C1 ZINC000328614413 404115759 /nfs/dbraw/zinc/11/57/59/404115759.db2.gz VZFGBRVJYYLHEN-YPMHNXCESA-N 0 0 308.382 2.080 10 30 DEEERN CCc1nsc(N2CC[C@@H](n3ccc(NC(C)=O)n3)C2)n1 ZINC000328615155 404115798 /nfs/dbraw/zinc/11/57/98/404115798.db2.gz XWEQVCHHGHSMLN-SNVBAGLBSA-N 0 0 306.395 2.356 10 30 DEEERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@H]2COc3ccccc32)C1 ZINC000328627055 404118842 /nfs/dbraw/zinc/11/88/42/404118842.db2.gz FTKPGDBLVKKYJF-YIZWMMSDSA-N 0 0 318.373 2.057 10 30 DEEERN COc1ccc(CNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)cn1 ZINC000328629150 404120145 /nfs/dbraw/zinc/12/01/45/404120145.db2.gz OMMTXERZHQYFTF-DZGCQCFKSA-N 0 0 316.361 2.058 10 30 DEEERN C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC000290361140 404141025 /nfs/dbraw/zinc/14/10/25/404141025.db2.gz LHYYYBUJRJZXNM-UONOGXRCSA-N 0 0 315.425 2.411 10 30 DEEERN N#C[C@H]1CN(C(=O)NCCCc2ccccc2)CCN1C1CC1 ZINC000363521010 404173288 /nfs/dbraw/zinc/17/32/88/404173288.db2.gz XBJQCHYUQMXGPX-KRWDZBQOSA-N 0 0 312.417 2.001 10 30 DEEERN CCC1(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCCC1 ZINC000363880559 404236945 /nfs/dbraw/zinc/23/69/45/404236945.db2.gz WEXKULBLAAQZCE-HNNXBMFYSA-N 0 0 304.438 2.339 10 30 DEEERN C=CCCC(=O)Nc1cccc(N2C(=O)N[C@H](C)C2=O)c1C ZINC000290678756 404268746 /nfs/dbraw/zinc/26/87/46/404268746.db2.gz QCIRHTHFGFWXOS-LLVKDONJSA-N 0 0 301.346 2.344 10 30 DEEERN C#Cc1ccc(CNC(=O)N[C@@H]2CCCc3c2cnn3C)cc1 ZINC000296490884 404272380 /nfs/dbraw/zinc/27/23/80/404272380.db2.gz YACCTULRXAFKIT-MRXNPFEDSA-N 0 0 308.385 2.278 10 30 DEEERN C[C@@H]1CCN(C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)C[C@@H]1C ZINC000329245691 404277956 /nfs/dbraw/zinc/27/79/56/404277956.db2.gz VJKOFZIEIVZLFT-ORIJERBGSA-N 0 0 320.437 2.390 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](C2CC2)C1 ZINC000329411624 404329187 /nfs/dbraw/zinc/32/91/87/404329187.db2.gz CCFVVGJACHENCK-SQWLQELKSA-N 0 0 318.421 2.144 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@H](C)C(=O)OC(C)C)cc1 ZINC000296856629 404345415 /nfs/dbraw/zinc/34/54/15/404345415.db2.gz LSUWYAVFJFBVNZ-ZDUSSCGKSA-N 0 0 302.374 2.055 10 30 DEEERN C=CCSCCNC(=O)C(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000355304091 404321605 /nfs/dbraw/zinc/32/16/05/404321605.db2.gz XJOIZOWRTWVQRK-LBPRGKRZSA-N 0 0 324.446 2.061 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000342101894 404367305 /nfs/dbraw/zinc/36/73/05/404367305.db2.gz NBFKOLMFEKXVKN-OAGGEKHMSA-N 0 0 304.390 2.143 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1c(C)coc1CC(=O)OC ZINC000291480361 404395680 /nfs/dbraw/zinc/39/56/80/404395680.db2.gz KKFYJBHFENAOOU-UHFFFAOYSA-N 0 0 319.279 2.494 10 30 DEEERN O=C(NCCc1cn[nH]c1)N1CCO[C@H](C2CCCCC2)C1 ZINC000329634711 404401882 /nfs/dbraw/zinc/40/18/82/404401882.db2.gz XHGBLDPAKHSMMX-HNNXBMFYSA-N 0 0 306.410 2.147 10 30 DEEERN C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)CCO1 ZINC000329950306 404504379 /nfs/dbraw/zinc/50/43/79/404504379.db2.gz CFQGPZRXQZPBIF-RFGFWPKPSA-N 0 0 322.384 2.165 10 30 DEEERN C[C@H]1CN(CC(=O)NC2(C#N)CCC2)C[C@@H](c2ccccc2)O1 ZINC000364752056 404527585 /nfs/dbraw/zinc/52/75/85/404527585.db2.gz BMVCCUJUSUKHSP-HOCLYGCPSA-N 0 0 313.401 2.011 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N(CC)CC1CCC1 ZINC000351121203 404517984 /nfs/dbraw/zinc/51/79/84/404517984.db2.gz YQTICWDLFLYDOM-CQSZACIVSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N(CCOC)[C@H]1CCOC1 ZINC000350650920 404433109 /nfs/dbraw/zinc/43/31/09/404433109.db2.gz ATHAKAYYCQVFBL-KGLIPLIRSA-N 0 0 308.426 2.219 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000297665411 404583423 /nfs/dbraw/zinc/58/34/23/404583423.db2.gz FVICSLRFLSOJIV-CQSZACIVSA-N 0 0 322.430 2.073 10 30 DEEERN Cc1csc2c1ncnc2N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000330042711 404536510 /nfs/dbraw/zinc/53/65/10/404536510.db2.gz GVAUXAYVDDVRMB-LLVKDONJSA-N 0 0 317.418 2.244 10 30 DEEERN O=C(N[C@@H]1CCCc2c[nH]nc21)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330111715 404555138 /nfs/dbraw/zinc/55/51/38/404555138.db2.gz BHVWEHWYFNKZFT-CKEIUWERSA-N 0 0 318.421 2.328 10 30 DEEERN CN1CCOc2ccc(NC(=O)N3CCO[C@H](C4CC4)C3)cc21 ZINC000330144041 404565460 /nfs/dbraw/zinc/56/54/60/404565460.db2.gz RMHNMAXOMMHLLI-INIZCTEOSA-N 0 0 317.389 2.172 10 30 DEEERN Cn1nccc1N1CCC[C@H](NC(=O)C[C@@H]2C=CCC2)C1=O ZINC000330164492 404570718 /nfs/dbraw/zinc/57/07/18/404570718.db2.gz TYWKNMICPUKFNM-OLZOCXBDSA-N 0 0 302.378 2.228 10 30 DEEERN C[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)C1CCOCC1 ZINC000330160204 404570826 /nfs/dbraw/zinc/57/08/26/404570826.db2.gz RSLCWPVIOBHCEF-UXIGCNINSA-N 0 0 307.394 2.269 10 30 DEEERN C[C@H]1OCC[C@H]1NC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O ZINC000330261046 404605297 /nfs/dbraw/zinc/60/52/97/404605297.db2.gz OVHJTTJNSDLIAZ-JRBZFYFNSA-N 0 0 310.438 2.483 10 30 DEEERN C=C(C)CN(C)C(=O)CNC(=O)c1cc2c(s1)CCCC2 ZINC000351535380 404630184 /nfs/dbraw/zinc/63/01/84/404630184.db2.gz HRHOMENESGOVAT-UHFFFAOYSA-N 0 0 306.431 2.391 10 30 DEEERN CC1(C#N)CCN(C(=O)CCNC(=O)c2cccs2)CC1 ZINC000356968179 404722869 /nfs/dbraw/zinc/72/28/69/404722869.db2.gz GRNYDNGDEZQODU-UHFFFAOYSA-N 0 0 305.403 2.020 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)CC1CC1 ZINC000358841141 404777655 /nfs/dbraw/zinc/77/76/55/404777655.db2.gz KRBVMTWOTAHCHO-UHFFFAOYSA-N 0 0 310.375 2.323 10 30 DEEERN C=CCNC(=O)Nc1ccc(N[C@@H](C(=O)OC)C2CC2)cc1 ZINC000358845155 404778230 /nfs/dbraw/zinc/77/82/30/404778230.db2.gz FELZEQVTIPFJHN-CQSZACIVSA-N 0 0 303.362 2.358 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@@H](CC)c1c(C)nn(C)c1C ZINC000358914136 404778753 /nfs/dbraw/zinc/77/87/53/404778753.db2.gz HXHGEMRCXDINBT-AWEZNQCLSA-N 0 0 308.426 2.332 10 30 DEEERN CO[C@@](C)(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1CC1 ZINC000360744233 404836354 /nfs/dbraw/zinc/83/63/54/404836354.db2.gz IUWKOOVFTONVAN-IRXDYDNUSA-N 0 0 324.421 2.179 10 30 DEEERN C=CCCCC(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 ZINC000359193975 404786574 /nfs/dbraw/zinc/78/65/74/404786574.db2.gz WHSBXNHCVMVPHK-UHFFFAOYSA-N 0 0 306.328 2.402 10 30 DEEERN C=CCN(C(=O)[C@H](OC)C1CC1)c1nc(C(=O)OCC)cs1 ZINC000415019845 404789427 /nfs/dbraw/zinc/78/94/27/404789427.db2.gz WRHGWHILFRTERL-GFCCVEGCSA-N 0 0 324.402 2.264 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N[C@](C)(CO)C(C)C ZINC000358716439 404773191 /nfs/dbraw/zinc/77/31/91/404773191.db2.gz AYMWASZTWMOTKB-QGZVFWFLSA-N 0 0 306.406 2.458 10 30 DEEERN C=CCc1cc(CNc2cn(C)nc2OC)cc(OC)c1O ZINC000353223601 404774434 /nfs/dbraw/zinc/77/44/34/404774434.db2.gz JKCLERIWIXHEMH-UHFFFAOYSA-N 0 0 303.362 2.484 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)N1CC(=O)N(CC)C1 ZINC000416718629 404889986 /nfs/dbraw/zinc/88/99/86/404889986.db2.gz DPQQMWHGGRFGMJ-OAHLLOKOSA-N 0 0 301.390 2.005 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000353761494 404961493 /nfs/dbraw/zinc/96/14/93/404961493.db2.gz UUJUJHPTLTXKRR-LLVKDONJSA-N 0 0 314.307 2.382 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cnc(C(F)(F)F)cc1C ZINC000353812521 404967753 /nfs/dbraw/zinc/96/77/53/404967753.db2.gz FHVBGFZOLCJFRJ-SECBINFHSA-N 0 0 303.284 2.467 10 30 DEEERN C=CCOCCSCc1ccc(S(=O)(=O)N(C)C)s1 ZINC000424123661 405014488 /nfs/dbraw/zinc/01/44/88/405014488.db2.gz MTXBTLZYMFZBLB-UHFFFAOYSA-N 0 0 321.489 2.434 10 30 DEEERN C=CCN1CC[C@@H](Nc2cccc(Cl)c2C(=O)OC)C1=O ZINC000417059789 405023590 /nfs/dbraw/zinc/02/35/90/405023590.db2.gz ARJGEMJYMVQOSI-GFCCVEGCSA-N 0 0 308.765 2.325 10 30 DEEERN C=CCNC(=O)NC(=O)CN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000361350106 405033472 /nfs/dbraw/zinc/03/34/72/405033472.db2.gz BYZAAIRTISXOAS-OAHLLOKOSA-N 0 0 319.380 2.365 10 30 DEEERN CCOC(=O)c1ccc(C(=O)Nc2cc(C#N)ccn2)nc1C ZINC000435996042 405034985 /nfs/dbraw/zinc/03/49/85/405034985.db2.gz OQBUNSBAIYWNFC-UHFFFAOYSA-N 0 0 310.313 2.086 10 30 DEEERN C=CCCCCNC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000367236221 404977840 /nfs/dbraw/zinc/97/78/40/404977840.db2.gz GDPSQQZTFHXXTQ-HUUCEWRRSA-N 0 0 310.438 2.210 10 30 DEEERN CCc1csc(-n2cc(C(=O)Nc3cc(C#N)ccn3)cn2)n1 ZINC000436007554 405035922 /nfs/dbraw/zinc/03/59/22/405035922.db2.gz NMEQAIZRWUQRBZ-UHFFFAOYSA-N 0 0 324.369 2.410 10 30 DEEERN C=C(C)CCNS(=O)(=O)c1cc(C(=O)OC)cc(F)c1C ZINC000451800789 405042727 /nfs/dbraw/zinc/04/27/27/405042727.db2.gz FKWUKVWKBDROJB-UHFFFAOYSA-N 0 0 315.366 2.165 10 30 DEEERN C=C(C)CCNS(=O)(=O)c1ccccc1Cn1ccnc1 ZINC000451805295 405045106 /nfs/dbraw/zinc/04/51/06/405045106.db2.gz XQXRDRKPLAGRHI-UHFFFAOYSA-N 0 0 305.403 2.176 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)Nc1ncc(C(=O)OCC)n1C ZINC000417138753 405046229 /nfs/dbraw/zinc/04/62/29/405046229.db2.gz OXPJFQNJTXOIJR-LLVKDONJSA-N 0 0 308.382 2.463 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1nc(COC)cs1 ZINC000436387133 405076385 /nfs/dbraw/zinc/07/63/85/405076385.db2.gz QCACVHJWRMRKCH-PWSUYJOCSA-N 0 0 311.407 2.392 10 30 DEEERN Cc1nc([C@H]2CCCCCN2C(=O)c2cc(C#N)ccn2)no1 ZINC000408159437 405128077 /nfs/dbraw/zinc/12/80/77/405128077.db2.gz QNKQLTPODKXHLW-CQSZACIVSA-N 0 0 311.345 2.402 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cc2c(cn1)OCCO2 ZINC000424625496 405131217 /nfs/dbraw/zinc/13/12/17/405131217.db2.gz KVLFAZURMFBWKS-UHFFFAOYSA-N 0 0 302.252 2.043 10 30 DEEERN C=CCCn1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)nn1 ZINC000424556435 405115689 /nfs/dbraw/zinc/11/56/89/405115689.db2.gz HGMPRTBIRDFWFJ-NSHDSACASA-N 0 0 314.345 2.074 10 30 DEEERN C=CCC1(C(=O)NCCc2c(C)nn(C)c2C)CCOCC1 ZINC000424585642 405122714 /nfs/dbraw/zinc/12/27/14/405122714.db2.gz RSUKPSIIYQVJIO-UHFFFAOYSA-N 0 0 305.422 2.069 10 30 DEEERN CC(=O)N1CSC[C@H]1C(=O)Nc1sc(C)c(C)c1C#N ZINC000408144860 405123842 /nfs/dbraw/zinc/12/38/42/405123842.db2.gz OHACWDLDPMOMBD-NSHDSACASA-N 0 0 309.416 2.097 10 30 DEEERN CN(C)c1cccc(S(=O)(=O)N2CCCC(C)(C)[C@@H]2C#N)c1 ZINC000408402670 405197521 /nfs/dbraw/zinc/19/75/21/405197521.db2.gz PITUJDCGTNZLAQ-HNNXBMFYSA-N 0 0 321.446 2.455 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(C)(C)COCC(F)F ZINC000437477941 405200735 /nfs/dbraw/zinc/20/07/35/405200735.db2.gz BDKOYMGSVSTUHV-DGCLKSJQSA-N 0 0 305.365 2.392 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc(NC(C)=O)c1 ZINC000437520156 405204490 /nfs/dbraw/zinc/20/44/90/405204490.db2.gz QAJTYPGANQYTCY-GOEBONIOSA-N 0 0 302.374 2.356 10 30 DEEERN C=CCn1cc(CNC(=O)c2ccc(C)c(OCC)c2)nn1 ZINC000424907658 405210242 /nfs/dbraw/zinc/21/02/42/405210242.db2.gz KQPUJTMEBDXBDR-UHFFFAOYSA-N 0 0 300.362 2.101 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1(c2ccccc2OC)CC1 ZINC000424935240 405215808 /nfs/dbraw/zinc/21/58/08/405215808.db2.gz XJJFESPITUQEIR-ZFWWWQNUSA-N 0 0 301.386 2.434 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)COc1ccc(C(=O)CC)cc1 ZINC000452975866 405268862 /nfs/dbraw/zinc/26/88/62/405268862.db2.gz NFSBGIIDADDSKU-ZBFHGGJFSA-N 0 0 303.358 2.118 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCOc1ccc(F)cc1 ZINC000425396233 405284824 /nfs/dbraw/zinc/28/48/24/405284824.db2.gz PBBUZVGGOALGBZ-WFASDCNBSA-N 0 0 308.353 2.095 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CO)c1ccsc1 ZINC000438063898 405229551 /nfs/dbraw/zinc/22/95/51/405229551.db2.gz RRLRBJVNLAYLPO-UBHSHLNASA-N 0 0 310.419 2.062 10 30 DEEERN C=CCC1(C(=O)Nc2n[nH]c(-c3ccccn3)n2)CCOCC1 ZINC000425149379 405251262 /nfs/dbraw/zinc/25/12/62/405251262.db2.gz WEIKOXYDZMTVSB-UHFFFAOYSA-N 0 0 313.361 2.178 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc(Cl)c1F ZINC000425177259 405254429 /nfs/dbraw/zinc/25/44/29/405254429.db2.gz FGXNUYOMVHEBGP-ONGXEEELSA-N 0 0 319.785 2.349 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CCCO)c1ccccc1 ZINC000425682221 405313069 /nfs/dbraw/zinc/31/30/69/405313069.db2.gz JYNQYTKMYDPXJM-BBWFWOEESA-N 0 0 318.417 2.391 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC[C@H]1CCCC[C@H]1O ZINC000425846742 405324042 /nfs/dbraw/zinc/32/40/42/405324042.db2.gz BYTVNLBZSRAWOX-QXSJWSMHSA-N 0 0 310.438 2.208 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCOC)Cc1ccc(C)o1 ZINC000425858741 405324894 /nfs/dbraw/zinc/32/48/94/405324894.db2.gz RBJPAVMSDBJSTH-HOCLYGCPSA-N 0 0 322.405 2.337 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1nnc([C@@H](C)CC)[nH]1 ZINC000425862122 405325336 /nfs/dbraw/zinc/32/53/36/405325336.db2.gz WXEGZSDYRBWVSJ-CYDGBPFRSA-N 0 0 321.425 2.270 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)CCc1nccs1 ZINC000425568511 405304164 /nfs/dbraw/zinc/30/41/64/405304164.db2.gz WCCATPJGQAJFDM-STQMWFEESA-N 0 0 309.435 2.308 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N1C[C@H](O)CC[C@H]1C ZINC000420788317 405384419 /nfs/dbraw/zinc/38/44/19/405384419.db2.gz KVAXSENLUPPFLH-UKRRQHHQSA-N 0 0 304.390 2.306 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000427659736 405418030 /nfs/dbraw/zinc/41/80/30/405418030.db2.gz LMANKZAZBHWQRN-OCCSQVGLSA-N 0 0 316.405 2.360 10 30 DEEERN COc1cc(CN(C)C(=O)c2ccc(C#N)n2C)cc(OC)c1 ZINC000448669586 405433975 /nfs/dbraw/zinc/43/39/75/405433975.db2.gz GVWRPUPVIYIMGU-UHFFFAOYSA-N 0 0 313.357 2.186 10 30 DEEERN C=CCN(C)C(=O)N[C@H](c1c(C)nn(C)c1C)C(F)(F)F ZINC000429543989 405435569 /nfs/dbraw/zinc/43/55/69/405435569.db2.gz ZJLUGALMNNQTLG-LLVKDONJSA-N 0 0 304.316 2.468 10 30 DEEERN C[C@@H]1CN(C(=O)c2ccc(C#N)n2C)C[C@H](c2ccccc2)O1 ZINC000448792146 405448963 /nfs/dbraw/zinc/44/89/63/405448963.db2.gz HQPFRVOLWVBBRL-CXAGYDPISA-N 0 0 309.369 2.499 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NCCc1nc2c(s1)CCCC2 ZINC000448876532 405458266 /nfs/dbraw/zinc/45/82/66/405458266.db2.gz XLKWJZHKBVUFIE-UHFFFAOYSA-N 0 0 314.414 2.205 10 30 DEEERN C=C(C)Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C(=O)NC)C1 ZINC000421309967 405462971 /nfs/dbraw/zinc/46/29/71/405462971.db2.gz VKLXSVDBDAWSHZ-ZDUSSCGKSA-N 0 0 319.453 2.015 10 30 DEEERN C=CCNC(=O)CNC(=O)Nc1ccc(CCC(C)C)cn1 ZINC000455958551 405464302 /nfs/dbraw/zinc/46/43/02/405464302.db2.gz KAMVYCHOUYPHGF-UHFFFAOYSA-N 0 0 304.394 2.094 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000633411398 405629955 /nfs/dbraw/zinc/62/99/55/405629955.db2.gz QZGOUOQZLYAEEZ-UHFFFAOYSA-N 0 0 321.343 2.352 10 30 DEEERN C=C(CC)CNC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000456814466 405578405 /nfs/dbraw/zinc/57/84/05/405578405.db2.gz UIEPAVFGOYGIKT-ZDUSSCGKSA-N 0 0 324.446 2.123 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)C1CCC1 ZINC000456853408 405592459 /nfs/dbraw/zinc/59/24/59/405592459.db2.gz FMMVNTQSHFDYRN-NVXWUHKLSA-N 0 0 316.401 2.239 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1CCCS1(=O)=O ZINC000636028245 405690271 /nfs/dbraw/zinc/69/02/71/405690271.db2.gz LAIREFCZONXNDH-HOTGVXAUSA-N 0 0 321.442 2.257 10 30 DEEERN C=CC(C)(C)CNC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000458991615 405681196 /nfs/dbraw/zinc/68/11/96/405681196.db2.gz UJNLLQMMSKIXRP-HNNXBMFYSA-N 0 0 309.454 2.095 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633527262 405698982 /nfs/dbraw/zinc/69/89/82/405698982.db2.gz OJQYXXVMHQJHNC-CYBMUJFWSA-N 0 0 303.406 2.402 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H](c2cccnc2)C1 ZINC000633532590 405701098 /nfs/dbraw/zinc/70/10/98/405701098.db2.gz ATPWDSHEYQAESX-DLBZAZTESA-N 0 0 315.417 2.259 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000459038248 405707645 /nfs/dbraw/zinc/70/76/45/405707645.db2.gz WEEANKWBYUWYIH-MJBXVCDLSA-N 0 0 324.421 2.093 10 30 DEEERN C=CCCc1ccccc1NC(=O)NC[C@@H](O)[C@H]1CCCO1 ZINC000529089253 405748921 /nfs/dbraw/zinc/74/89/21/405748921.db2.gz GORRAJOZELUGFI-HZPDHXFCSA-N 0 0 304.390 2.467 10 30 DEEERN C=CCC1(C(=O)N2CCc3nc(COC)ncc3C2)CCC1 ZINC000633735643 405814997 /nfs/dbraw/zinc/81/49/97/405814997.db2.gz DPASSGMHBLJYNB-UHFFFAOYSA-N 0 0 301.390 2.254 10 30 DEEERN C=CCOc1ccc(CC(=O)NCc2noc(C3CC3)n2)cc1 ZINC000450300414 405823044 /nfs/dbraw/zinc/82/30/44/405823044.db2.gz CTLBEHKYDFGKRA-UHFFFAOYSA-N 0 0 313.357 2.371 10 30 DEEERN CO[C@@H]1C[C@@H](c2nncn2C)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000583616829 405775195 /nfs/dbraw/zinc/77/51/95/405775195.db2.gz LUSJEJITWQFMPQ-OCCSQVGLSA-N 0 0 317.780 2.307 10 30 DEEERN Cc1ccnc(OC2CCN(C(=O)c3ccc(C#N)n3C)CC2)c1 ZINC000450534191 405944855 /nfs/dbraw/zinc/94/48/55/405944855.db2.gz CEZJFKXUDOCNJA-UHFFFAOYSA-N 0 0 324.384 2.284 10 30 DEEERN CCOC(=O)[C@@H]1CN(c2c(Cl)cccc2C#N)CC12COC2 ZINC000450572511 405959170 /nfs/dbraw/zinc/95/91/70/405959170.db2.gz ULFWFUQCFAMXAH-LBPRGKRZSA-N 0 0 320.776 2.228 10 30 DEEERN C[C@H](NC(=O)Cc1cccc(C#N)c1)c1nnc2ccccn21 ZINC000531149137 405913949 /nfs/dbraw/zinc/91/39/49/405913949.db2.gz CUWULGKSOLITGY-LBPRGKRZSA-N 0 0 305.341 2.021 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000636468466 405973578 /nfs/dbraw/zinc/97/35/78/405973578.db2.gz KVIBYVKQRKDPDP-INIZCTEOSA-N 0 0 314.429 2.379 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)c1cccnc1 ZINC000636473943 405976748 /nfs/dbraw/zinc/97/67/48/405976748.db2.gz KRSIVNJTEQWTKT-ZDUSSCGKSA-N 0 0 303.406 2.367 10 30 DEEERN C=CCN(CCc1ccccc1)S(=O)(=O)c1cncn1CC ZINC000433837812 405990230 /nfs/dbraw/zinc/99/02/30/405990230.db2.gz VWIZJDXBVRTKEO-UHFFFAOYSA-N 0 0 319.430 2.322 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)C1 ZINC000636784960 406081497 /nfs/dbraw/zinc/08/14/97/406081497.db2.gz BNCKLZUXJGGSNP-ILXRZTDVSA-N 0 0 307.438 2.241 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N1CCO[C@]2(CCSC2)C1 ZINC000566217915 406087324 /nfs/dbraw/zinc/08/73/24/406087324.db2.gz BJQANTSSCIMTGX-OAHLLOKOSA-N 0 0 308.451 2.129 10 30 DEEERN C=CCCCCCNC(=O)CCn1nnc2ccccc2c1=O ZINC000566420632 406088597 /nfs/dbraw/zinc/08/85/97/406088597.db2.gz PHVVPVKPJYAUDP-UHFFFAOYSA-N 0 0 314.389 2.044 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OC2COC2)cc1 ZINC000567105727 406094518 /nfs/dbraw/zinc/09/45/18/406094518.db2.gz DRUJJHWLGGJTLC-LRDDRELGSA-N 0 0 318.373 2.177 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1Cc2ccccc2NC(=O)C1 ZINC000567288003 406095281 /nfs/dbraw/zinc/09/52/81/406095281.db2.gz AQQVJJNTONWDGO-CQSZACIVSA-N 0 0 315.417 2.254 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCCOC1CCCC1 ZINC000636645646 406041894 /nfs/dbraw/zinc/04/18/94/406041894.db2.gz QBKVAXAMOOWBAZ-UHFFFAOYSA-N 0 0 310.438 2.170 10 30 DEEERN N#Cc1cccc(CC(=O)NCc2cnn(CC(F)(F)F)c2)c1 ZINC000532182038 406053626 /nfs/dbraw/zinc/05/36/26/406053626.db2.gz YPAAJTYUTFOOMA-UHFFFAOYSA-N 0 0 322.290 2.176 10 30 DEEERN C=C(C)Cn1c(N2CCC[C@H](OC)C2)nnc1[C@]1(C)CCCO1 ZINC000562785112 406055650 /nfs/dbraw/zinc/05/56/50/406055650.db2.gz ZDRPYTRFALINKU-YOEHRIQHSA-N 0 0 320.437 2.495 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000459827761 406059277 /nfs/dbraw/zinc/05/92/77/406059277.db2.gz YOXYKTKRHLJWBM-INIZCTEOSA-N 0 0 322.449 2.219 10 30 DEEERN N#CCC1(CNC(=O)NCC[C@@H]2COc3ccccc3O2)CC1 ZINC000563261096 406059366 /nfs/dbraw/zinc/05/93/66/406059366.db2.gz KDAQWBUQYPGNAE-CYBMUJFWSA-N 0 0 315.373 2.210 10 30 DEEERN CC1CC(C#N)(C(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)C1 ZINC000564478032 406064111 /nfs/dbraw/zinc/06/41/11/406064111.db2.gz ZYXHLHMCOCOSQL-YZKWQOGNSA-N 0 0 300.362 2.203 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@H](OCC)[C@@H]1n1cccn1 ZINC000565643305 406075781 /nfs/dbraw/zinc/07/57/81/406075781.db2.gz MPIDMEBTUGMPNQ-LVQVYYBASA-N 0 0 318.421 2.352 10 30 DEEERN C=CCn1c(COCCOC)nnc1N1C[C@H](C)CC[C@@H]1C ZINC000634340011 406105786 /nfs/dbraw/zinc/10/57/86/406105786.db2.gz YCXFPXKNUUHWEI-KGLIPLIRSA-N 0 0 308.426 2.252 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000634373358 406118584 /nfs/dbraw/zinc/11/85/84/406118584.db2.gz YJRYTPWTYVYZQV-WDEREUQCSA-N 0 0 318.343 2.024 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1cc(C)nc(C)c1 ZINC000636974717 406137937 /nfs/dbraw/zinc/13/79/37/406137937.db2.gz ZXMZNWQYMQKJMB-UHFFFAOYSA-N 0 0 317.433 2.423 10 30 DEEERN C=CCCC[C@H](C)NC(=O)NCc1nnc(C2CCOCC2)[nH]1 ZINC000637022375 406152708 /nfs/dbraw/zinc/15/27/08/406152708.db2.gz FMKXPSHVHNQNFD-LBPRGKRZSA-N 0 0 321.425 2.243 10 30 DEEERN C=CCOCCNC(=O)NCc1ccc(C(C)(C)C)[nH]c1=O ZINC000637031933 406156134 /nfs/dbraw/zinc/15/61/34/406156134.db2.gz GDJADNSJEIEPPE-UHFFFAOYSA-N 0 0 307.394 2.087 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC(Cc2ccco2)C1 ZINC000637116919 406181488 /nfs/dbraw/zinc/18/14/88/406181488.db2.gz FMKBZAXARQECLZ-ZBFHGGJFSA-N 0 0 304.390 2.445 10 30 DEEERN CC(=O)N1CC[C@@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000568891766 406222635 /nfs/dbraw/zinc/22/26/35/406222635.db2.gz XXZRKNVZDRTBST-AWEZNQCLSA-N 0 0 313.401 2.086 10 30 DEEERN C=CCOCCCNC(=O)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000637276261 406238848 /nfs/dbraw/zinc/23/88/48/406238848.db2.gz ZHNKNIZQXSKCSQ-OAHLLOKOSA-N 0 0 304.390 2.484 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCN(C(=O)N(CC)CC)CC1 ZINC000637320200 406256901 /nfs/dbraw/zinc/25/69/01/406256901.db2.gz OIVAWWQJKPGXNJ-UHFFFAOYSA-N 0 0 324.469 2.378 10 30 DEEERN C=CCCCCCNC(=O)N1CCN(c2ccnc(C)n2)CC1 ZINC000519832345 406261582 /nfs/dbraw/zinc/26/15/82/406261582.db2.gz JYFVVYBXOXEJRW-UHFFFAOYSA-N 0 0 317.437 2.363 10 30 DEEERN CC#CC[C@H](CO)NC(=O)NCc1csc(C(F)(F)F)c1 ZINC000637528212 406338383 /nfs/dbraw/zinc/33/83/83/406338383.db2.gz TYTWGQXLLIAECL-SNVBAGLBSA-N 0 0 320.336 2.340 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)C1CCN(Cc2nccn2C)CC1 ZINC000488875548 406357182 /nfs/dbraw/zinc/35/71/82/406357182.db2.gz KNYOODGITVYSSS-INIZCTEOSA-N 0 0 316.449 2.199 10 30 DEEERN C=CCN(C(=O)c1cc(N2CCOCC2)ncn1)c1ccccc1 ZINC000633134777 406390140 /nfs/dbraw/zinc/39/01/40/406390140.db2.gz PHPMZFWTWLRZLE-UHFFFAOYSA-N 0 0 324.384 2.146 10 30 DEEERN CC#CCNC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000633142580 406394268 /nfs/dbraw/zinc/39/42/68/406394268.db2.gz OYZVHXTXXAJQOR-IACUBPJLSA-N 0 0 319.202 2.410 10 30 DEEERN C=CCn1c(-c2cn(C)nn2)nnc1N(C)C[C@@H](C)C(C)(C)C ZINC000635029191 406406468 /nfs/dbraw/zinc/40/64/68/406406468.db2.gz FKECTCMHVMRHMV-GFCCVEGCSA-N 0 0 317.441 2.378 10 30 DEEERN C=C(CNC(=O)[C@@]1(CC(C)C)CCNC1=O)c1ccccc1 ZINC000633073470 406371314 /nfs/dbraw/zinc/37/13/14/406371314.db2.gz WLYMHJGPXHQFIK-GOSISDBHSA-N 0 0 300.402 2.368 10 30 DEEERN C=CCCC(C)(C)NC(=O)NCc1nnc(C2CCOCC2)[nH]1 ZINC000637641463 406376285 /nfs/dbraw/zinc/37/62/85/406376285.db2.gz RGVABQFFZVXDBK-UHFFFAOYSA-N 0 0 321.425 2.243 10 30 DEEERN C=CCNC(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000489096405 406377571 /nfs/dbraw/zinc/37/75/71/406377571.db2.gz DAYTYSDISNTPMA-LLVKDONJSA-N 0 0 316.323 2.342 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000637648551 406378253 /nfs/dbraw/zinc/37/82/53/406378253.db2.gz JQOSUTIOYWQKAJ-DVOMOZLQSA-N 0 0 322.405 2.426 10 30 DEEERN COC(=O)c1cc(Oc2ccncc2C#N)cc(C(=O)OC)c1 ZINC000548152013 406486571 /nfs/dbraw/zinc/48/65/71/406486571.db2.gz SLRYHNAXHMZGEZ-UHFFFAOYSA-N 0 0 312.281 2.319 10 30 DEEERN C=C(C)CNC(=O)CCNS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000490064774 406449836 /nfs/dbraw/zinc/44/98/36/406449836.db2.gz QOFPZJZKVHQUAL-UHFFFAOYSA-N 0 0 324.446 2.171 10 30 DEEERN N#Cc1cnccc1NCCc1ccc(OCC(F)(F)F)nc1 ZINC000547827730 406451412 /nfs/dbraw/zinc/45/14/12/406451412.db2.gz YOXAVMQQMPPVTC-UHFFFAOYSA-N 0 0 322.290 2.366 10 30 DEEERN N#Cc1cccc(CC(=O)N2CC[C@H](OCc3ccncc3)C2)c1 ZINC000527011919 406570390 /nfs/dbraw/zinc/57/03/90/406570390.db2.gz HOMWKYZEHOIBKC-SFHVURJKSA-N 0 0 321.380 2.313 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000572151370 406613434 /nfs/dbraw/zinc/61/34/34/406613434.db2.gz PGDOBOWSJARTNU-JONQDZQNSA-N 0 0 318.421 2.067 10 30 DEEERN N#Cc1cccc(CC(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000551884434 406645067 /nfs/dbraw/zinc/64/50/67/406645067.db2.gz AYBKSUOXFFSBAE-HNNXBMFYSA-N 0 0 322.368 2.377 10 30 DEEERN Cn1c2cc(NC(=O)c3ccc(C#N)cn3)ccc2ccc1=O ZINC000572782841 406737919 /nfs/dbraw/zinc/73/79/19/406737919.db2.gz YGIFUCKCMZKUEV-UHFFFAOYSA-N 0 0 304.309 2.057 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(N2CCC2)nc1 ZINC000573296791 406772271 /nfs/dbraw/zinc/77/22/71/406772271.db2.gz UBRBMFUPUWUMET-CZUORRHYSA-N 0 0 301.390 2.003 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NC[C@H](C)c1nccs1 ZINC000574650829 406785451 /nfs/dbraw/zinc/78/54/51/406785451.db2.gz CMUDNVQKYPZLGU-LBPRGKRZSA-N 0 0 309.435 2.225 10 30 DEEERN CCOc1ccc(C#N)c(I)c1[N+](=O)[O-] ZINC000575671650 406817068 /nfs/dbraw/zinc/81/70/68/406817068.db2.gz VOZXGPSXHONLBS-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN CCOc1ccc([N+](=O)[O-])c(I)c1C#N ZINC000575671938 406817156 /nfs/dbraw/zinc/81/71/56/406817156.db2.gz ZJPRIEOKSYPUCJ-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN CCOC(=O)Cc1c(Br)cc([N+](=O)[O-])cc1C#N ZINC000575383666 406807899 /nfs/dbraw/zinc/80/78/99/406807899.db2.gz YDJBNOCPUUCIIT-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN CCOC(=O)Cc1cc(Br)cc([N+](=O)[O-])c1C#N ZINC000575383671 406808028 /nfs/dbraw/zinc/80/80/28/406808028.db2.gz YGHDHRSCUPBUCI-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN CCOC(=O)Cc1cc(OC(F)F)c(C#N)cc1[N+](=O)[O-] ZINC000575388284 406809015 /nfs/dbraw/zinc/80/90/15/406809015.db2.gz RLYNFGYPIBLYRD-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN COC(=O)Cc1cc(C#N)c(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575395491 406809062 /nfs/dbraw/zinc/80/90/62/406809062.db2.gz GADCHPITRGITGX-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN C[C@H]1CSCCN1C(=O)c1ccc(C#CCO)c(Cl)c1 ZINC000128918342 196003426 /nfs/dbraw/zinc/00/34/26/196003426.db2.gz RDJKZMIRQGNXKP-NSHDSACASA-N 0 0 309.818 2.261 10 30 DEEERN CSC[C@H](C)CNC(=O)c1ccc(C#CCO)c(Cl)c1 ZINC000128914739 196003616 /nfs/dbraw/zinc/00/36/16/196003616.db2.gz LYBRUDJZNQELCU-LLVKDONJSA-N 0 0 311.834 2.413 10 30 DEEERN N#CCCNC(=O)Cn1ccc2ccc(Br)cc21 ZINC000129352863 196041393 /nfs/dbraw/zinc/04/13/93/196041393.db2.gz FHLGUVBIDSCYTD-UHFFFAOYSA-N 0 0 306.163 2.434 10 30 DEEERN C=CCN(CC=C)C(=O)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000129432650 196047282 /nfs/dbraw/zinc/04/72/82/196047282.db2.gz UFICIVLKRJTGTN-UHFFFAOYSA-N 0 0 321.384 2.326 10 30 DEEERN Cc1cc(C#CCCO)cc(C(=O)NCc2cscn2)c1 ZINC000131653780 196188258 /nfs/dbraw/zinc/18/82/58/196188258.db2.gz DESMXCMTXXFODN-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN C[C@@H]1CN(c2ccc(Br)cc2C#N)S(=O)(=O)C1 ZINC000132569256 196266090 /nfs/dbraw/zinc/26/60/90/196266090.db2.gz QWSJMQJUWUIHNH-MRVPVSSYSA-N 0 0 315.192 2.107 10 30 DEEERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N1CCC(C#N)CC1 ZINC000133789710 196335891 /nfs/dbraw/zinc/33/58/91/196335891.db2.gz GZGMEKFQIWLUNL-CYBMUJFWSA-N 0 0 316.409 2.182 10 30 DEEERN C=CCCOc1ccc(S(N)(=O)=O)c2ccc(Cl)nc12 ZINC000136829109 196554194 /nfs/dbraw/zinc/55/41/94/196554194.db2.gz MFOVSXRZPYRRRP-UHFFFAOYSA-N 0 0 312.778 2.491 10 30 DEEERN Cc1ccc(C#CCCO)c(C(=O)N2CCS[C@@H](C)C2)c1 ZINC000137311626 196571994 /nfs/dbraw/zinc/57/19/94/196571994.db2.gz NFQNEEYUCZAICT-AWEZNQCLSA-N 0 0 303.427 2.306 10 30 DEEERN Cc1ccc(C#CCCO)cc1C(=O)N1CCS[C@@H](C)C1 ZINC000137311972 196572355 /nfs/dbraw/zinc/57/23/55/196572355.db2.gz ZHRNEYKYJCDZDZ-AWEZNQCLSA-N 0 0 303.427 2.306 10 30 DEEERN COc1ccccc1N1CC[C@H](NC(=O)NCCCCC#N)C1 ZINC000176542240 224824038 /nfs/dbraw/zinc/82/40/38/224824038.db2.gz PUCZVMRVNNBUKU-AWEZNQCLSA-N 0 0 316.405 2.267 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000177478391 224845343 /nfs/dbraw/zinc/84/53/43/224845343.db2.gz RAHFFFUMDXBRKC-UHFFFAOYSA-N 0 0 323.356 2.069 10 30 DEEERN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC1(C)CCC1 ZINC000181901971 224908289 /nfs/dbraw/zinc/90/82/89/224908289.db2.gz DSYGVFJHVGIREB-GFCCVEGCSA-N 0 0 315.373 2.222 10 30 DEEERN COC[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H](C)O1 ZINC000188233713 225014711 /nfs/dbraw/zinc/01/47/11/225014711.db2.gz VKVTXODWAQMMPY-CJNGLKHVSA-N 0 0 314.385 2.118 10 30 DEEERN N#Cc1ccc(C2(C(=O)NCc3cccc(CO)c3)CC2)cc1 ZINC000188320058 225016280 /nfs/dbraw/zinc/01/62/80/225016280.db2.gz SPBWDOGCXBVYCW-UHFFFAOYSA-N 0 0 306.365 2.399 10 30 DEEERN C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)NC(C)(C)C ZINC000188778400 225034520 /nfs/dbraw/zinc/03/45/20/225034520.db2.gz KKGUGSWUZIZVSD-LBPRGKRZSA-N 0 0 313.401 2.009 10 30 DEEERN COCCN(C(=O)[C@@H]1CCOC[C@H]1C)c1ccc(C#N)cc1 ZINC000194461033 225181609 /nfs/dbraw/zinc/18/16/09/225181609.db2.gz HSGQEKNGANGTEW-CZUORRHYSA-N 0 0 302.374 2.210 10 30 DEEERN Cc1ccc([C@@H]2CN(CC(=O)N[C@](C)(C#N)C(C)C)CCO2)o1 ZINC000246254158 225225542 /nfs/dbraw/zinc/22/55/42/225225542.db2.gz GVIVESZCRACXIV-DOTOQJQBSA-N 0 0 319.405 2.016 10 30 DEEERN C[C@](C#N)(NC(=O)CN1CCC[C@@H](c2nccs2)C1)C1CC1 ZINC000249861353 225245448 /nfs/dbraw/zinc/24/54/48/225245448.db2.gz GAFHQQUMBASMNZ-MLGOLLRUSA-N 0 0 318.446 2.131 10 30 DEEERN O=C(Cc1cncnc1)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000329731421 225923797 /nfs/dbraw/zinc/92/37/97/225923797.db2.gz PTHPVRRWYBSVEF-YPMHNXCESA-N 0 0 317.311 2.459 10 30 DEEERN Cc1noc(C)c1C[C@H](C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329580201 225899195 /nfs/dbraw/zinc/89/91/95/225899195.db2.gz PQPYJZHJJWKMNM-GCVYGYKWSA-N 0 0 308.378 2.230 10 30 DEEERN N#C[C@@H]1CN(Cc2cc3ccccc3[nH]c2=O)CCN1C1CC1 ZINC000360092870 226838657 /nfs/dbraw/zinc/83/86/57/226838657.db2.gz MKIOCCMYLVCLRR-MRXNPFEDSA-N 0 0 308.385 2.113 10 30 DEEERN N#C[C@H]1CN(C(=O)CCCOc2ccccc2)CCN1C1CC1 ZINC000370968775 227060555 /nfs/dbraw/zinc/06/05/55/227060555.db2.gz NOMJXDOEOZICJP-INIZCTEOSA-N 0 0 313.401 2.044 10 30 DEEERN N#C[C@H]1CN(C(=O)Cc2cccc(Cl)c2)CCN1C1CC1 ZINC000370972578 227062172 /nfs/dbraw/zinc/06/21/72/227062172.db2.gz KREXOTVZZCWSOR-HNNXBMFYSA-N 0 0 303.793 2.081 10 30 DEEERN N#C[C@H]1CN(C(=O)CCc2c[nH]c3ccccc23)CCN1C1CC1 ZINC000370994232 227062262 /nfs/dbraw/zinc/06/22/62/227062262.db2.gz SEMOSRCEPPCEOS-INIZCTEOSA-N 0 0 322.412 2.299 10 30 DEEERN C[C@H](C(=O)N(C)CCC#N)N1CC(Cc2ccccc2F)C1 ZINC000371344484 227068206 /nfs/dbraw/zinc/06/82/06/227068206.db2.gz LLNSKGKWKVJTDN-CYBMUJFWSA-N 0 0 303.381 2.061 10 30 DEEERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000372760873 227098165 /nfs/dbraw/zinc/09/81/65/227098165.db2.gz LFSJMGOADJKVNJ-ZNMIVQPWSA-N 0 0 315.442 2.359 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000290555759 221742256 /nfs/dbraw/zinc/74/22/56/221742256.db2.gz SAWFMSIZSHBFNR-LBPRGKRZSA-N 0 0 302.365 2.353 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@]1(C)OCCc2sccc21 ZINC000291699065 222567016 /nfs/dbraw/zinc/56/70/16/222567016.db2.gz YDIWSDNFTOYSIW-QGZVFWFLSA-N 0 0 301.411 2.315 10 30 DEEERN Cc1[nH]c2ccccc2c1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000377667212 227194796 /nfs/dbraw/zinc/19/47/96/227194796.db2.gz FNPZYECDKPVNOY-CQSZACIVSA-N 0 0 308.385 2.289 10 30 DEEERN N#Cc1ccc(Cl)cc1N1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299742463 229380088 /nfs/dbraw/zinc/38/00/88/229380088.db2.gz JJSFCLOSFPMQPO-NXEZZACHSA-N 0 0 317.698 2.312 10 30 DEEERN N#Cc1cccc(N2CCN(Cc3ccc(Cl)cn3)CC2)n1 ZINC000302199618 230155143 /nfs/dbraw/zinc/15/51/43/230155143.db2.gz YSXKLZLCMSGFKY-UHFFFAOYSA-N 0 0 313.792 2.324 10 30 DEEERN CCn1cnnc1[C@@H]1CCCN(c2c(C#N)cccc2C#N)C1 ZINC000302658386 230334240 /nfs/dbraw/zinc/33/42/40/230334240.db2.gz ALTFSJVOVRRXGY-OAHLLOKOSA-N 0 0 306.373 2.425 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccn(CC(F)(F)F)n2)c1 ZINC000533449573 421673911 /nfs/dbraw/zinc/67/39/11/421673911.db2.gz YPYNEEMYIJGBJP-UHFFFAOYSA-N 0 0 308.263 2.498 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccn(-c3ncccc3F)n2)c1 ZINC000611163833 422473895 /nfs/dbraw/zinc/47/38/95/422473895.db2.gz OEPGEWCQZVELDE-UHFFFAOYSA-N 0 0 321.315 2.459 10 30 DEEERN N#Cc1ccccc1CSCCNC(=O)Nc1nncs1 ZINC000043130012 269974561 /nfs/dbraw/zinc/97/45/61/269974561.db2.gz HZAWOJWSUQQXPN-UHFFFAOYSA-N 0 0 319.415 2.465 10 30 DEEERN N#Cc1cc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)ccn1 ZINC000193168517 424867164 /nfs/dbraw/zinc/86/71/64/424867164.db2.gz ARVJXBZFDZMWHU-LSDHHAIUSA-N 0 0 317.414 2.080 10 30 DEEERN Cc1c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)ccn1C ZINC000195263629 424881310 /nfs/dbraw/zinc/88/13/10/424881310.db2.gz NAKAKJJNKMWYCO-QGZVFWFLSA-N 0 0 322.412 2.184 10 30 DEEERN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)CC[C@H]1C ZINC000175194030 424863368 /nfs/dbraw/zinc/86/33/68/424863368.db2.gz SYPDXOSGZQQDCP-VXGBXAGGSA-N 0 0 315.417 2.443 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(-c2ccccc2F)on1 ZINC000570480204 424927647 /nfs/dbraw/zinc/92/76/47/424927647.db2.gz RMFDSKUVRRNHQX-YPMHNXCESA-N 0 0 302.305 3.010 10 30 DEEERN C=CCNc1ncc(C(=O)NCc2cnc(CCC)o2)s1 ZINC000412392667 424938840 /nfs/dbraw/zinc/93/88/40/424938840.db2.gz NRURGCONINUNNT-UHFFFAOYSA-N 0 0 306.391 2.612 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cc(C)n([C@H](C)CC)n1 ZINC000577003507 424951529 /nfs/dbraw/zinc/95/15/29/424951529.db2.gz UVZIQGGOOJSHAO-CYBMUJFWSA-N 0 0 320.437 2.964 10 30 DEEERN C=C(C)COCCNS(=O)(=O)c1ccc(Cl)c(OC)c1 ZINC000416430118 424957278 /nfs/dbraw/zinc/95/72/78/424957278.db2.gz ZSEANDPXWDYNJC-UHFFFAOYSA-N 0 0 319.810 2.220 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)Nc1nn(C2CCCCC2)cc1C ZINC000345282036 424995794 /nfs/dbraw/zinc/99/57/94/424995794.db2.gz PPARJFFNJGOBHY-CQSZACIVSA-N 0 0 320.437 3.003 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNc1nccn2c1nnc2C(C)C ZINC000435601079 425029572 /nfs/dbraw/zinc/02/95/72/425029572.db2.gz JBLLRUZEHPXEGO-OLZOCXBDSA-N 0 0 301.394 2.641 10 30 DEEERN CC(C)COCCCNC(=O)NCCOc1ccc(C#N)cc1 ZINC000174831043 267510926 /nfs/dbraw/zinc/51/09/26/267510926.db2.gz MNHJLCKVJPNUND-UHFFFAOYSA-N 0 0 319.405 2.299 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CCC(C)(C)O1 ZINC000188742406 267681075 /nfs/dbraw/zinc/68/10/75/267681075.db2.gz XPKVTGUZPACOHU-CYBMUJFWSA-N 0 0 308.403 2.103 10 30 DEEERN C[C@H]1CN(C(=O)c2ccc(C#N)o2)CCN1Cc1ccccc1 ZINC000396367136 269102731 /nfs/dbraw/zinc/10/27/31/269102731.db2.gz CLOUWPWZZMLRLB-AWEZNQCLSA-N 0 0 309.369 2.498 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)CCCO ZINC000452439566 269141899 /nfs/dbraw/zinc/14/18/99/269141899.db2.gz HSNOSXQLFUNSPK-RHSMWYFYSA-N 0 0 318.417 2.486 10 30 DEEERN CCC[C@H](CNC(=O)Cc1cccc(C#N)c1)C(=O)OCC ZINC000516847339 269370358 /nfs/dbraw/zinc/37/03/58/269370358.db2.gz RMMTXOBHUNBMOU-OAHLLOKOSA-N 0 0 302.374 2.196 10 30 DEEERN N=C(N)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000006454287 274941829 /nfs/dbraw/zinc/94/18/29/274941829.db2.gz NMGWKCHTMNJLNC-RGVLZGJSSA-N 0 0 304.357 2.147 10 30 DEEERN C=CCNC(=O)Cn1cc(C#N)c(=O)c2cc(C)cc(Cl)c21 ZINC000338396891 275430145 /nfs/dbraw/zinc/43/01/45/275430145.db2.gz DCCYHFNAYHPGBP-UHFFFAOYSA-N 0 0 315.760 2.137 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C ZINC000425893017 276919796 /nfs/dbraw/zinc/91/97/96/276919796.db2.gz RQGYFSWFMZNITI-AJNGGQMLSA-N 0 0 322.449 2.025 10 30 DEEERN C=C(C)CN(C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000180438290 277767629 /nfs/dbraw/zinc/76/76/29/277767629.db2.gz LMVXFVMJFJQENJ-GDBMZVCRSA-N 0 0 304.365 2.380 10 30 DEEERN C=C(C)[C@H](CC(=O)N1C[C@H](CC)O[C@@]2(CCOC2)C1)OCC ZINC000358202624 277799082 /nfs/dbraw/zinc/79/90/82/277799082.db2.gz CEJRWVCKWUXYMZ-ZOBUZTSGSA-N 0 0 311.422 2.154 10 30 DEEERN COc1cc(F)ccc1N1CCN(c2ncccc2C#N)CC1 ZINC000301306562 277823865 /nfs/dbraw/zinc/82/38/65/277823865.db2.gz VDXHWJOMVCZDKN-UHFFFAOYSA-N 0 0 312.348 2.428 10 30 DEEERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)C#Cc1ccccc1 ZINC000124405134 278077044 /nfs/dbraw/zinc/07/70/44/278077044.db2.gz JOZWQOSMXPLTSC-OAHLLOKOSA-N 0 0 308.385 2.404 10 30 DEEERN Cc1cccc(NC(=O)C(=O)N[C@@H]2COc3ccccc32)c1C#N ZINC000174810762 281234857 /nfs/dbraw/zinc/23/48/57/281234857.db2.gz NAJNOFBZVJHCFN-OAHLLOKOSA-N 0 0 321.336 2.055 10 30 DEEERN CC1(C)CN(S(=O)(=O)CCCCC#N)CC2(CCCC2)O1 ZINC000190773224 281250760 /nfs/dbraw/zinc/25/07/60/281250760.db2.gz YNRPVGUPTVKJEA-UHFFFAOYSA-N 0 0 314.451 2.434 10 30 DEEERN CN(C(=O)Nc1csc(-c2ccccn2)n1)[C@@H]1CCOC1 ZINC000329440666 281896311 /nfs/dbraw/zinc/89/63/11/281896311.db2.gz MYCRETZPLTZRLX-SNVBAGLBSA-N 0 0 304.375 2.471 10 30 DEEERN COc1ccc(CNC(=O)COc2cccc(F)c2C#N)cc1 ZINC000132169077 281982415 /nfs/dbraw/zinc/98/24/15/281982415.db2.gz CGJSCVPRKAPUAC-UHFFFAOYSA-N 0 0 314.316 2.401 10 30 DEEERN CCC(C)(C)NC(=O)CN1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000408453335 281994846 /nfs/dbraw/zinc/99/48/46/281994846.db2.gz TWTRLJHVFLGTOT-RHSMWYFYSA-N 0 0 307.438 2.218 10 30 DEEERN O=C(NCCC1CCOCC1)N1CCOC[C@@H]1CC(F)F ZINC000329273992 295377633 /nfs/dbraw/zinc/37/76/33/295377633.db2.gz JEJAMIOOVRBRCV-LBPRGKRZSA-N 0 0 306.353 2.073 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC000556444671 331704882 /nfs/dbraw/zinc/70/48/82/331704882.db2.gz RWKLKMSBBUIKRM-RYUDHWBXSA-N 0 0 315.425 2.050 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1CC[S@@](=O)C(CC)(CC)C1 ZINC000558675700 331934210 /nfs/dbraw/zinc/93/42/10/331934210.db2.gz ZJCBIHBSJSZRGZ-JOCHJYFZSA-N 0 0 322.478 2.469 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NCC3(C4CC4)CC3)cc2C1=O ZINC000160068333 332755168 /nfs/dbraw/zinc/75/51/68/332755168.db2.gz KDSBDYYIMBGSDG-UHFFFAOYSA-N 0 0 324.380 2.389 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc2nc[nH]c2cc1F ZINC000563018145 333059073 /nfs/dbraw/zinc/05/90/73/333059073.db2.gz DHNHXIPBUOLZIY-BMIGLBTASA-N 0 0 303.337 2.413 10 30 DEEERN CC(C)Oc1ccc(NC(=O)CCCCC(N)=O)cc1C#N ZINC000188945857 333059249 /nfs/dbraw/zinc/05/92/49/333059249.db2.gz ZJKDAPJIBNNVFJ-UHFFFAOYSA-N 0 0 303.362 2.330 10 30 DEEERN C=CCCCCCNC(=O)c1ccc(CN2CCOCC2)cn1 ZINC000582071869 333200260 /nfs/dbraw/zinc/20/02/60/333200260.db2.gz GHXDPLHIWLBIJI-UHFFFAOYSA-N 0 0 317.433 2.390 10 30 DEEERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)OCCCC#N ZINC000188527878 333371427 /nfs/dbraw/zinc/37/14/27/333371427.db2.gz SITQLPHAZBDLNF-WDEREUQCSA-N 0 0 300.330 2.181 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@@H](C)c1ccncc1OC ZINC000571537253 333815098 /nfs/dbraw/zinc/81/50/98/333815098.db2.gz FBUGHIZCODZCDD-ZDUSSCGKSA-N 0 0 319.405 2.130 10 30 DEEERN C=CCC[C@H](CO)NC(=O)CC1CCC(C(=O)OCC)CC1 ZINC000571645040 333995666 /nfs/dbraw/zinc/99/56/66/333995666.db2.gz LDMMUNAHULSWEK-YMAMQOFZSA-N 0 0 311.422 2.189 10 30 DEEERN C=CCCCCNC(=O)C(=O)NCc1ccc2ccccc2n1 ZINC000340045710 334113694 /nfs/dbraw/zinc/11/36/94/334113694.db2.gz HKYGOKXCEQEBHO-UHFFFAOYSA-N 0 0 311.385 2.324 10 30 DEEERN C=CCOCCCC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000366747648 334476845 /nfs/dbraw/zinc/47/68/45/334476845.db2.gz PTWCLWPBHULSJD-CVEARBPZSA-N 0 0 322.449 2.267 10 30 DEEERN C=CCCCCCNC(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000582554216 337108503 /nfs/dbraw/zinc/10/85/03/337108503.db2.gz GISNURNHXNBZBB-UHFFFAOYSA-N 0 0 311.407 2.353 10 30 DEEERN CCS(=O)(=O)Nc1ccc2c(c1)CCC(=O)[C@H]2CCC#N ZINC000584601615 337370931 /nfs/dbraw/zinc/37/09/31/337370931.db2.gz DKSYOOLCFLHXDY-AWEZNQCLSA-N 0 0 306.387 2.351 10 30 DEEERN CCOC(=O)c1cc(C#N)ccc1I ZINC000584604520 337371314 /nfs/dbraw/zinc/37/13/14/337371314.db2.gz NVXMAWYOEQFNQK-UHFFFAOYSA-N 0 0 301.083 2.340 10 30 DEEERN CC#CS(=O)(=O)Cc1ccccc1I ZINC000584625407 337375525 /nfs/dbraw/zinc/37/55/25/337375525.db2.gz QWSJYASNFOMQAY-UHFFFAOYSA-N 0 0 320.151 2.187 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000125712633 337413514 /nfs/dbraw/zinc/41/35/14/337413514.db2.gz ZSKRMAKQXJJCDF-HNNXBMFYSA-N 0 0 316.401 2.421 10 30 DEEERN C=CCOCCCC(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000135388548 337451584 /nfs/dbraw/zinc/45/15/84/337451584.db2.gz ALPMEZSCCLOMHB-MRXNPFEDSA-N 0 0 305.374 2.275 10 30 DEEERN N#CC1(C(=O)NCc2cccnc2-n2ccnc2)CCCCC1 ZINC000057430387 337457747 /nfs/dbraw/zinc/45/77/47/337457747.db2.gz IJVDMGQIZXAFJB-UHFFFAOYSA-N 0 0 309.373 2.358 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3[C@H](C)CC[C@@H]3C)cc2C1=O ZINC000162172061 337608394 /nfs/dbraw/zinc/60/83/94/337608394.db2.gz OPHZVFMHOBNBOM-TXEJJXNPSA-N 0 0 312.369 2.482 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000516054349 338003171 /nfs/dbraw/zinc/00/31/71/338003171.db2.gz HNQKGZKUFUPACS-HOTGVXAUSA-N 0 0 318.417 2.442 10 30 DEEERN C=CCN(CCc1ccco1)S(=O)(=O)C[C@@H](OC)C1CC1 ZINC000516179106 338005985 /nfs/dbraw/zinc/00/59/85/338005985.db2.gz ZKIVWDNZBBECNF-OAHLLOKOSA-N 0 0 313.419 2.065 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C ZINC000497072145 340019617 /nfs/dbraw/zinc/01/96/17/340019617.db2.gz MVPBXOGPEOQNHT-IGCXYCKISA-N 0 0 324.421 2.236 10 30 DEEERN C=CCCCCCNC(=O)c1cc(S(=O)(=O)NC)ccc1C ZINC000516876612 340457721 /nfs/dbraw/zinc/45/77/21/340457721.db2.gz CBZFSSOXYSEPDT-UHFFFAOYSA-N 0 0 324.446 2.379 10 30 DEEERN CCc1cc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)on1 ZINC000541868521 340986509 /nfs/dbraw/zinc/98/65/09/340986509.db2.gz FAFGCLLHKWOKKB-INIZCTEOSA-N 0 0 321.377 2.115 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1cccc(NC(=O)COC)c1 ZINC000545924383 341146523 /nfs/dbraw/zinc/14/65/23/341146523.db2.gz IJBVADFJZFOPCU-CYBMUJFWSA-N 0 0 304.390 2.490 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCn1c(CCC)nc2ccccc21 ZINC000546697745 341179222 /nfs/dbraw/zinc/17/92/22/341179222.db2.gz AHHLQAGMKQXWNM-CQSZACIVSA-N 0 0 315.417 2.432 10 30 DEEERN C=CCn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000548951606 341282113 /nfs/dbraw/zinc/28/21/13/341282113.db2.gz YBDIUDDDPTWJHA-ZIAGYGMSSA-N 0 0 317.437 2.229 10 30 DEEERN CC(C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1 ZINC000549135442 341286571 /nfs/dbraw/zinc/28/65/71/341286571.db2.gz YSTNQZGLSJHWMN-HNNXBMFYSA-N 0 0 311.389 2.179 10 30 DEEERN N#C[C@@H]1CN(c2nnc(CC3CC3)n2Cc2ccccc2)CCO1 ZINC000549538313 341296892 /nfs/dbraw/zinc/29/68/92/341296892.db2.gz BJFOZZJFGKBGAZ-MRXNPFEDSA-N 0 0 323.400 2.008 10 30 DEEERN C=CCn1c(CC)nnc1N1CCO[C@H](c2nccs2)C1 ZINC000554634866 341460065 /nfs/dbraw/zinc/46/00/65/341460065.db2.gz GUYXDXQYWDRCSS-NSHDSACASA-N 0 0 305.407 2.061 10 30 DEEERN C=CCOCCCC(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000154027200 341583371 /nfs/dbraw/zinc/58/33/71/341583371.db2.gz WSNIPQVDSIHWKN-AWEZNQCLSA-N 0 0 314.389 2.427 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000569000256 341687874 /nfs/dbraw/zinc/68/78/74/341687874.db2.gz DZIQKXDSXBYQGT-UHFFFAOYSA-N 0 0 307.366 2.173 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@H]2C(=O)OC(C)C)CCOCC1 ZINC000574193526 341751422 /nfs/dbraw/zinc/75/14/22/341751422.db2.gz XQXGPODUALSGKZ-AWEZNQCLSA-N 0 0 309.406 2.302 10 30 DEEERN C=CCn1c(N2CCC[C@@H](COC)C2)nnc1[C@@]1(C)CCCO1 ZINC000575089100 341776637 /nfs/dbraw/zinc/77/66/37/341776637.db2.gz JPSVXKHKSOVAEO-RHSMWYFYSA-N 0 0 320.437 2.353 10 30 DEEERN C[C@@H]1C[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)CC(C)(C)C1 ZINC000408066394 533764420 /nfs/dbraw/zinc/76/44/20/533764420.db2.gz XYYDFKSJNWXSTO-KGLIPLIRSA-N 0 0 305.422 2.033 10 30 DEEERN COc1ccccc1-n1ncc(C(=O)N[C@H](C#N)C2CC2)c1C ZINC000194830043 533932259 /nfs/dbraw/zinc/93/22/59/533932259.db2.gz CLVVPAXAPQAWIS-CQSZACIVSA-N 0 0 310.357 2.221 10 30 DEEERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329819443 534081367 /nfs/dbraw/zinc/08/13/67/534081367.db2.gz GNYWNQKMARHJAB-UXIGCNINSA-N 0 0 322.430 2.001 10 30 DEEERN C[C@@H]1Oc2ccc(NC(=O)N[C@H]3CCC[C@H]3C#N)cc2NC1=O ZINC000408238928 534213778 /nfs/dbraw/zinc/21/37/78/534213778.db2.gz ZHVMZSQPXYVCBM-NHCYSSNCSA-N 0 0 314.345 2.220 10 30 DEEERN COC(=O)c1coc(C(=O)N(CCC#N)Cc2cccnc2)c1 ZINC000184921934 534312867 /nfs/dbraw/zinc/31/28/67/534312867.db2.gz IRQAWRSLJNVQQT-UHFFFAOYSA-N 0 0 313.313 2.017 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457797554 534351571 /nfs/dbraw/zinc/35/15/71/534351571.db2.gz WEPZYFDFQGDMAD-CZUORRHYSA-N 0 0 317.385 2.493 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N(CC)C[C@H](C)CC ZINC000453427030 534427268 /nfs/dbraw/zinc/42/72/68/534427268.db2.gz OTQKGVSCXMNIRO-GFCCVEGCSA-N 0 0 317.441 2.440 10 30 DEEERN C=CC(C)(C)C(=O)NCc1ncn(Cc2cccc(F)c2)n1 ZINC000450981869 534499789 /nfs/dbraw/zinc/49/97/89/534499789.db2.gz AXRXSGGEEQLATC-UHFFFAOYSA-N 0 0 302.353 2.294 10 30 DEEERN N#CC1CCC(CNC(=O)NCCCOC[C@H]2CCOC2)CC1 ZINC000440996314 534580214 /nfs/dbraw/zinc/58/02/14/534580214.db2.gz GMCSEWABKACVTQ-UYSNPLJNSA-N 0 0 323.437 2.059 10 30 DEEERN C=CCC1(C(=O)N2CCN(c3cccnn3)CC2)CCCC1 ZINC000449828873 534585099 /nfs/dbraw/zinc/58/50/99/534585099.db2.gz LIUIIYNXBYZNBL-UHFFFAOYSA-N 0 0 300.406 2.262 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000189674052 526291672 /nfs/dbraw/zinc/29/16/72/526291672.db2.gz VJVVQZDQIUHOGX-HIFRSBDPSA-N 0 0 304.390 2.395 10 30 DEEERN CC#CCN(C)C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000341058191 526356168 /nfs/dbraw/zinc/35/61/68/526356168.db2.gz VNGMTFTXOBNAOK-UHFFFAOYSA-N 0 0 306.163 2.421 10 30 DEEERN CC#CCNC(=O)N1CCN(c2nccc3sccc32)CC1 ZINC000341443151 526372294 /nfs/dbraw/zinc/37/22/94/526372294.db2.gz SPYIIVASRSDIKB-UHFFFAOYSA-N 0 0 314.414 2.151 10 30 DEEERN C=CCN1CC(=O)N([C@@H](c2ccccc2)[C@@H]2CCOC2)C1=O ZINC000372952298 526412771 /nfs/dbraw/zinc/41/27/71/526412771.db2.gz GWFAGNAZCXURNE-ZBFHGGJFSA-N 0 0 300.358 2.214 10 30 DEEERN CC(=O)N1CCC[C@@H](CNC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000331053583 526568302 /nfs/dbraw/zinc/56/83/02/526568302.db2.gz JPYXFTBNXQNPES-HNNXBMFYSA-N 0 0 321.396 2.430 10 30 DEEERN C=C(C)COCCN1C(=O)N[C@@H](Cc2cccc(Cl)c2)C1=O ZINC000348589686 526628537 /nfs/dbraw/zinc/62/85/37/526628537.db2.gz GBWCYVXGGSDOJB-AWEZNQCLSA-N 0 0 322.792 2.396 10 30 DEEERN C=CCNC(=O)[C@H](C)N1CCCN(c2ccccc2F)CC1 ZINC000375837037 526632097 /nfs/dbraw/zinc/63/20/97/526632097.db2.gz FMQGMCBMZVHVAK-AWEZNQCLSA-N 0 0 305.397 2.029 10 30 DEEERN C=C(C)COCCNC(=O)[C@@H](C)Cn1ncc2ccccc21 ZINC000341473884 526648091 /nfs/dbraw/zinc/64/80/91/526648091.db2.gz IFGZXERMMDETQJ-AWEZNQCLSA-N 0 0 301.390 2.381 10 30 DEEERN C=CCNC(=O)c1ccccc1NCc1nnc(C2CC2)n1C ZINC000194992854 526661957 /nfs/dbraw/zinc/66/19/57/526661957.db2.gz KOGBARWKIZSJEC-UHFFFAOYSA-N 0 0 311.389 2.220 10 30 DEEERN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC23CC3)c1 ZINC000425809946 526665124 /nfs/dbraw/zinc/66/51/24/526665124.db2.gz XDRLRVXBSSFJAS-AWEZNQCLSA-N 0 0 300.358 2.249 10 30 DEEERN C=C(C)COc1cccc(NC(=O)C(=O)NCCCCF)c1 ZINC000361847745 526665805 /nfs/dbraw/zinc/66/58/05/526665805.db2.gz GCAOZUSQILHRCB-UHFFFAOYSA-N 0 0 308.353 2.446 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000341299782 526712251 /nfs/dbraw/zinc/71/22/51/526712251.db2.gz AHYIGMPEFDLEKQ-ZDUSSCGKSA-N 0 0 324.446 2.155 10 30 DEEERN C=C(C)Cn1c(-c2cccn2C)nnc1N1CCOC[C@@H](C)C1 ZINC000359217924 526719199 /nfs/dbraw/zinc/71/91/99/526719199.db2.gz CLZWVDRSCNOPCN-AWEZNQCLSA-N 0 0 315.421 2.332 10 30 DEEERN C#CCCCS(=O)(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000376292440 526719507 /nfs/dbraw/zinc/71/95/07/526719507.db2.gz ZKYNXYSCEXIERP-ZBFHGGJFSA-N 0 0 307.415 2.192 10 30 DEEERN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(CC)C1CC1 ZINC000292863002 526719582 /nfs/dbraw/zinc/71/95/82/526719582.db2.gz HADSDQFBINDJGY-UHFFFAOYSA-N 0 0 303.410 2.079 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC000283029866 526728107 /nfs/dbraw/zinc/72/81/07/526728107.db2.gz UHFDDQZRBIMBTM-AWEZNQCLSA-N 0 0 319.453 2.110 10 30 DEEERN C#CCN(C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)C1CCCC1 ZINC000368098154 526776669 /nfs/dbraw/zinc/77/66/69/526776669.db2.gz JCTCNFSXROINBT-INIZCTEOSA-N 0 0 316.405 2.472 10 30 DEEERN C=CCOCCNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000376850076 526779659 /nfs/dbraw/zinc/77/96/59/526779659.db2.gz BDPQLJMOMAMLPN-AWEZNQCLSA-N 0 0 323.824 2.421 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@]2(C(=O)OC)CCSC2)cc1 ZINC000340356005 526853222 /nfs/dbraw/zinc/85/32/22/526853222.db2.gz SFUYPBHJWQKQPO-MRXNPFEDSA-N 0 0 321.398 2.030 10 30 DEEERN Cc1nc(CNC(=O)CCCCOc2cccc(C#N)c2)no1 ZINC000134992450 526876368 /nfs/dbraw/zinc/87/63/68/526876368.db2.gz ADQZEBWQNZTMGN-UHFFFAOYSA-N 0 0 314.345 2.115 10 30 DEEERN C=CCOc1cccc(NC(=O)N[C@H](C(=O)NC)C(C)C)c1 ZINC000178928754 526916793 /nfs/dbraw/zinc/91/67/93/526916793.db2.gz FJLVWRAAPTVDCN-AWEZNQCLSA-N 0 0 305.378 2.144 10 30 DEEERN C=CCOc1cccnc1C(=O)N[C@H](C)CCC(=O)OCC ZINC000341540533 526966831 /nfs/dbraw/zinc/96/68/31/526966831.db2.gz ZZCUQAFCOJIKLX-GFCCVEGCSA-N 0 0 306.362 2.108 10 30 DEEERN C=CCSCCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000230214778 527006589 /nfs/dbraw/zinc/00/65/89/527006589.db2.gz UQKHJHFILOBFGJ-UHFFFAOYSA-N 0 0 309.347 2.257 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cc(CC)ccc1CC ZINC000341434181 527056589 /nfs/dbraw/zinc/05/65/89/527056589.db2.gz QMSIKOAVUWEPMH-CQSZACIVSA-N 0 0 318.417 2.051 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000356792680 527075586 /nfs/dbraw/zinc/07/55/86/527075586.db2.gz BZGJBFWRWXGILK-RHSMWYFYSA-N 0 0 303.402 2.495 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000350839639 527089950 /nfs/dbraw/zinc/08/99/50/527089950.db2.gz ZWNAPHSOTKRNJX-HOTGVXAUSA-N 0 0 317.433 2.139 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)CCOCc1ccccc1 ZINC000288926177 527091368 /nfs/dbraw/zinc/09/13/68/527091368.db2.gz XVZVBBSLKFTDOF-HOCLYGCPSA-N 0 0 306.406 2.218 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc2ccn(CCOC)c2c1 ZINC000183632251 527095852 /nfs/dbraw/zinc/09/58/52/527095852.db2.gz UQILARJXCDEVAE-HNNXBMFYSA-N 0 0 317.389 2.346 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000185948339 527099193 /nfs/dbraw/zinc/09/91/93/527099193.db2.gz BJFLXLIODIGJBR-AWEZNQCLSA-N 0 0 313.357 2.281 10 30 DEEERN C#CCOc1ccc(CN2CCN(c3cc(C)[nH]n3)CC2)cc1 ZINC000189023190 527099647 /nfs/dbraw/zinc/09/96/47/527099647.db2.gz KYIAOHOOSKXYOS-UHFFFAOYSA-N 0 0 310.401 2.052 10 30 DEEERN C=CC[C@@H](CO)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000182659829 527103760 /nfs/dbraw/zinc/10/37/60/527103760.db2.gz HMINNVKLIAMUSY-JTQLQIEISA-N 0 0 309.309 2.329 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000413303432 527110395 /nfs/dbraw/zinc/11/03/95/527110395.db2.gz QICQMUDXRAXQNQ-JKSUJKDBSA-N 0 0 315.417 2.094 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H](O)[C@@H]1C ZINC000296802693 527111223 /nfs/dbraw/zinc/11/12/23/527111223.db2.gz ITIWELRPYJEGNZ-FZMZJTMJSA-N 0 0 306.337 2.215 10 30 DEEERN C=CC[C@H](C)NC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000342071018 527131663 /nfs/dbraw/zinc/13/16/63/527131663.db2.gz CYONYVMCXQKSBG-SQWLQELKSA-N 0 0 315.417 2.440 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000376389347 527147154 /nfs/dbraw/zinc/14/71/54/527147154.db2.gz WFWKKXUTNSDYIZ-AWEZNQCLSA-N 0 0 317.437 2.468 10 30 DEEERN C=CC[C@H](CC)NC(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC000417490395 527158948 /nfs/dbraw/zinc/15/89/48/527158948.db2.gz REPJYOYEEQRVLI-XHDPSFHLSA-N 0 0 303.362 2.388 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000410724476 527172927 /nfs/dbraw/zinc/17/29/27/527172927.db2.gz KSKSAMWMBSRYIX-KGLIPLIRSA-N 0 0 310.438 2.073 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)[C@@H](CC)c1ccncc1 ZINC000298061933 527173270 /nfs/dbraw/zinc/17/32/70/527173270.db2.gz XZPLZMGVTIKWAM-HNNXBMFYSA-N 0 0 303.406 2.416 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000361128861 527179127 /nfs/dbraw/zinc/17/91/27/527179127.db2.gz CZQDSHGXGLWBAI-KGLIPLIRSA-N 0 0 310.438 2.121 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000341057522 527179258 /nfs/dbraw/zinc/17/92/58/527179258.db2.gz ZYPRXWRCRJWGET-AWEZNQCLSA-N 0 0 308.422 2.019 10 30 DEEERN C=CCCCN(C)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000345209768 527184481 /nfs/dbraw/zinc/18/44/81/527184481.db2.gz FQQGUXAQCBXEOZ-UHFFFAOYSA-N 0 0 316.448 2.259 10 30 DEEERN C=CCCCN(C)c1nnc(COCC)n1C[C@H]1CCOC1 ZINC000339141878 527195293 /nfs/dbraw/zinc/19/52/93/527195293.db2.gz NNTYLGQFNYMQGW-CQSZACIVSA-N 0 0 308.426 2.254 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc([C@@H](C)C(=O)OC)cc1 ZINC000417394256 527202078 /nfs/dbraw/zinc/20/20/78/527202078.db2.gz PUKCHTBJLQQOTQ-BXUZGUMPSA-N 0 0 306.362 2.022 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000376620569 527202582 /nfs/dbraw/zinc/20/25/82/527202582.db2.gz GJBXONDMKSHPDI-GFCCVEGCSA-N 0 0 318.373 2.489 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccnc(OCC(F)(F)F)c1 ZINC000350160285 527203668 /nfs/dbraw/zinc/20/36/68/527203668.db2.gz VDBPWGFWMYMXFI-SNVBAGLBSA-N 0 0 319.283 2.081 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(C)nc2c1cnn2[C@H](C)CC ZINC000337069677 527206826 /nfs/dbraw/zinc/20/68/26/527206826.db2.gz MFNKVVMAYBHLMX-CHWSQXEVSA-N 0 0 316.405 2.378 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccc(SC)cc1OC ZINC000448372566 527209709 /nfs/dbraw/zinc/20/97/09/527209709.db2.gz CJJRSDVZGUQXPD-UHFFFAOYSA-N 0 0 308.403 2.438 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](COC)CC1 ZINC000422316711 527253349 /nfs/dbraw/zinc/25/33/49/527253349.db2.gz CZLRMWVJOCCFDR-HUUCEWRRSA-N 0 0 310.438 2.123 10 30 DEEERN C=CCn1c(CC(C)(C)C)nnc1N(CCOC)[C@@H]1CCOC1 ZINC000350706349 527309306 /nfs/dbraw/zinc/30/93/06/527309306.db2.gz FNDYVRCEIAJURB-CQSZACIVSA-N 0 0 322.453 2.294 10 30 DEEERN C#C[C@H](C)NC(=O)Nc1c(C)cccc1-c1nnnn1[C@@H]1C[C@H]1C ZINC000287770980 527342702 /nfs/dbraw/zinc/34/27/02/527342702.db2.gz WCDSBLKREFZGRQ-MBNYWOFBSA-N 0 0 324.388 2.373 10 30 DEEERN C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC000337874019 527348338 /nfs/dbraw/zinc/34/83/38/527348338.db2.gz XJUNAKJDWMJKGF-GXTWGEPZSA-N 0 0 305.426 2.083 10 30 DEEERN C=CCCOCCNC(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375732918 527351994 /nfs/dbraw/zinc/35/19/94/527351994.db2.gz KRPOMYIGXJRINW-ZDUSSCGKSA-N 0 0 320.393 2.039 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC000337874022 527356830 /nfs/dbraw/zinc/35/68/30/527356830.db2.gz XJUNAKJDWMJKGF-TZMCWYRMSA-N 0 0 305.426 2.083 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CC(O)(c2ccc(Cl)cc2)C1 ZINC000375026827 527371377 /nfs/dbraw/zinc/37/13/77/527371377.db2.gz FRJWZMGNJVPBRD-LBPRGKRZSA-N 0 0 309.793 2.351 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1Cc2cnnn2Cc2ccccc21 ZINC000189036525 527377450 /nfs/dbraw/zinc/37/74/50/527377450.db2.gz OOOSPSMBDMWWRC-ZDUSSCGKSA-N 0 0 312.373 2.154 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCN(c2cnccc2C)CC1 ZINC000337316493 527391905 /nfs/dbraw/zinc/39/19/05/527391905.db2.gz YMPKZORVTLHQTP-OAHLLOKOSA-N 0 0 303.406 2.020 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CC[C@H](OCCOCC)C2)cc1 ZINC000296539132 527435277 /nfs/dbraw/zinc/43/52/77/527435277.db2.gz AWAXJWFEVQSRMM-KRWDZBQOSA-N 0 0 316.401 2.005 10 30 DEEERN C#Cc1ccccc1CC(=O)N1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000378022614 527462061 /nfs/dbraw/zinc/46/20/61/527462061.db2.gz AKEPTWHAZPCENC-FGTMMUONSA-N 0 0 313.397 2.005 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000333196302 527504251 /nfs/dbraw/zinc/50/42/51/527504251.db2.gz POZQKGOBNPBHOP-PMPSAXMXSA-N 0 0 308.422 2.321 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N(C)CC(=O)Nc1cccc(F)c1 ZINC000437570888 527526207 /nfs/dbraw/zinc/52/62/07/527526207.db2.gz UUOOVBWFZBIUOV-KRWDZBQOSA-N 0 0 322.380 2.451 10 30 DEEERN C=CCN(C(=O)NCc1nccn1CC(F)(F)F)C1CC1 ZINC000357577549 527539561 /nfs/dbraw/zinc/53/95/61/527539561.db2.gz ZGZAXFDRZLRLPQ-UHFFFAOYSA-N 0 0 302.300 2.305 10 30 DEEERN C=C[C@@](C)(O)CC(=O)NCc1ccc(OC)c(OC(F)F)c1 ZINC000339246112 527545612 /nfs/dbraw/zinc/54/56/12/527545612.db2.gz BOGDNJORQZQEHM-OAHLLOKOSA-N 0 0 315.316 2.240 10 30 DEEERN C=CCN(C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000298160318 527556202 /nfs/dbraw/zinc/55/62/02/527556202.db2.gz SHUJZGPKWPOYQP-LLVKDONJSA-N 0 0 318.339 2.212 10 30 DEEERN C=CCN(C)C(=O)C(=O)NCc1csc(-c2ccccc2)n1 ZINC000340455615 527557705 /nfs/dbraw/zinc/55/77/05/527557705.db2.gz MYQFYFZNEIUCPP-UHFFFAOYSA-N 0 0 315.398 2.071 10 30 DEEERN C=CCN(C)c1nnc(CCc2ccco2)n1C[C@@H]1CCOC1 ZINC000339163812 527579427 /nfs/dbraw/zinc/57/94/27/527579427.db2.gz QFAGNSIZHFSQAN-AWEZNQCLSA-N 0 0 316.405 2.315 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(C(=O)OC)nc1 ZINC000299372696 527588005 /nfs/dbraw/zinc/58/80/05/527588005.db2.gz HAOWSJFPNDPRPM-UHFFFAOYSA-N 0 0 302.252 2.059 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ccoc1CC(=O)OC ZINC000282971397 527588504 /nfs/dbraw/zinc/58/85/04/527588504.db2.gz IPUBCMDATWFQMI-UHFFFAOYSA-N 0 0 305.252 2.186 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000339737982 527601569 /nfs/dbraw/zinc/60/15/69/527601569.db2.gz YWLDTDCXARYUEP-LBPRGKRZSA-N 0 0 320.364 2.212 10 30 DEEERN CCN(CC)c1ncc(CN2CCN(C3CC3)[C@@H](C#N)C2)s1 ZINC000371326615 528317466 /nfs/dbraw/zinc/31/74/66/528317466.db2.gz JNOWTEQHOSLDHV-AWEZNQCLSA-N 0 0 319.478 2.161 10 30 DEEERN CCN(CCC#N)C(=O)CN1CCC[C@H](c2nccs2)C1 ZINC000195356498 528359053 /nfs/dbraw/zinc/35/90/53/528359053.db2.gz JKALXEJOYKZNPA-ZDUSSCGKSA-N 0 0 306.435 2.085 10 30 DEEERN CC(C)c1nnc(CNC(=O)C[C@@H](C)N2CCCCC2=O)n1C ZINC000330293114 528412589 /nfs/dbraw/zinc/41/25/89/528412589.db2.gz HMQRSRDDAGWDDU-GFCCVEGCSA-N 0 0 321.425 2.186 10 30 DEEERN CCCOc1cccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 ZINC000370974971 528732002 /nfs/dbraw/zinc/73/20/02/528732002.db2.gz WGDSLYXQDKSYFK-INIZCTEOSA-N 0 0 313.401 2.288 10 30 DEEERN CCC1(CC)CN(c2nnc(C)c(C)c2C#N)CC[S@]1=O ZINC000302230974 529086759 /nfs/dbraw/zinc/08/67/59/529086759.db2.gz XIJZVXDBYDUPIX-NRFANRHFSA-N 0 0 306.435 2.093 10 30 DEEERN CC[C@@H](SC)C(=O)N1CC[C@@H](n2ccc(NC(C)=O)n2)C1 ZINC000328612079 529251255 /nfs/dbraw/zinc/25/12/55/529251255.db2.gz NWFYRIIESXPBFF-VXGBXAGGSA-N 0 0 310.423 2.406 10 30 DEEERN CC(C)OC(=O)c1ccn(Cc2ccc(C#N)c(F)c2)c(=O)c1 ZINC000188142024 535314369 /nfs/dbraw/zinc/31/43/69/535314369.db2.gz YMKNEWVXOYHTQB-UHFFFAOYSA-N 0 0 314.316 2.473 10 30 DEEERN CCO[C@@H]1CCC[C@H]1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000456992449 535749743 /nfs/dbraw/zinc/74/97/43/535749743.db2.gz YMPGCFYANKFZLV-PBFPGSCMSA-N 0 0 324.421 2.322 10 30 DEEERN O=C(C=NOCc1cnn(-c2ccccc2)n1)Nc1ccccc1 ZINC000255622933 625531694 /nfs/dbraw/zinc/53/16/94/625531694.db2.gz WUWIOQJUXDWZKL-UHFFFAOYSA-N 0 0 321.340 2.408 10 30 DEEERN CN(C)c1ccc(CNC(=O)c2cc(C#N)cn2C)cc1F ZINC000176958602 625586858 /nfs/dbraw/zinc/58/68/58/625586858.db2.gz FERJPCMJTKUIOH-UHFFFAOYSA-N 0 0 300.337 2.032 10 30 DEEERN C#CCCCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000186936653 622691603 /nfs/dbraw/zinc/69/16/03/622691603.db2.gz OFHMIFDGYUJLMT-KGLIPLIRSA-N 0 0 323.437 2.345 10 30 DEEERN CC(=O)N1CSC[C@@H]1C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000175779558 623133168 /nfs/dbraw/zinc/13/31/68/623133168.db2.gz LYANKYAQPBWEJM-IINYFYTJSA-N 0 0 304.371 2.084 10 30 DEEERN C#CCN(Cc1ccccc1)C(=O)[C@H](C)NC(=O)c1ccco1 ZINC000804834270 623267532 /nfs/dbraw/zinc/26/75/32/623267532.db2.gz DUNZOWTZKUKIOA-AWEZNQCLSA-N 0 0 310.353 2.060 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)NCC[S@@](=O)CC ZINC000735112073 633472888 /nfs/dbraw/zinc/47/28/88/633472888.db2.gz TYQNBQDUMLBNHS-NRFANRHFSA-N 0 0 308.447 2.195 10 30 DEEERN CC#CCCCCOC(=O)CCS(=O)(=O)C1CCCC1 ZINC000183926523 637555128 /nfs/dbraw/zinc/55/51/28/637555128.db2.gz KCQDSERPPWDKTL-UHFFFAOYSA-N 0 0 300.420 2.471 10 30 DEEERN C#CCSCCNC(=O)N[C@@H]1COc2c1ccc(C)c2C ZINC000740046437 637778588 /nfs/dbraw/zinc/77/85/88/637778588.db2.gz HKNLMEIQWQAIFW-CQSZACIVSA-N 0 0 304.415 2.403 10 30 DEEERN CC[S@@](=O)CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000741421463 637980513 /nfs/dbraw/zinc/98/05/13/637980513.db2.gz QMBGYKVSPMVBPW-JOCHJYFZSA-N 0 0 319.430 2.001 10 30 DEEERN C#CCNC(=O)[C@H](C)OC(=O)c1cccc(-c2cscn2)c1 ZINC000745608418 638276937 /nfs/dbraw/zinc/27/69/37/638276937.db2.gz YJIOWSHGMPAUOR-NSHDSACASA-N 0 0 314.366 2.105 10 30 DEEERN COc1ccc(CNC(=O)NCCOC2CCCC2)cc1C#N ZINC000746722995 638372389 /nfs/dbraw/zinc/37/23/89/638372389.db2.gz URHAFJHUNRPCFV-UHFFFAOYSA-N 0 0 317.389 2.325 10 30 DEEERN COc1ccc(CNC(=O)NCc2ncccc2C)cc1C#N ZINC000746786116 638377811 /nfs/dbraw/zinc/37/78/11/638377811.db2.gz VWVDNBCGWJBSJV-UHFFFAOYSA-N 0 0 310.357 2.270 10 30 DEEERN COc1ccc(CNC(=O)[C@H]2COc3ccccc3C2)cc1C#N ZINC000746877229 638383993 /nfs/dbraw/zinc/38/39/93/638383993.db2.gz OWZRDMYRHGARQZ-MRXNPFEDSA-N 0 0 322.364 2.434 10 30 DEEERN C#CCNC(=O)[C@H](C)OC(=O)/C=C(\CC)c1ccc(OC)cc1 ZINC000747134707 638411092 /nfs/dbraw/zinc/41/10/92/638411092.db2.gz NFLCERHZOAKYMJ-REQDGWNSSA-N 0 0 315.369 2.170 10 30 DEEERN N#CCOc1ccc(Cl)cc1Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000747862792 638485412 /nfs/dbraw/zinc/48/54/12/638485412.db2.gz QBGDXZBTXZSASC-UHFFFAOYSA-N 0 0 319.704 2.361 10 30 DEEERN C[C@](O)(CNC(=O)Cc1cccc(C#N)c1)c1ccsc1 ZINC000749414900 638646560 /nfs/dbraw/zinc/64/65/60/638646560.db2.gz XLVRUYDMVMBYNV-INIZCTEOSA-N 0 0 300.383 2.186 10 30 DEEERN N#Cc1cccc(CC(=O)OCC(=O)NCC2CCCCC2)c1 ZINC000750429621 638743613 /nfs/dbraw/zinc/74/36/13/638743613.db2.gz DMQBWNSXYLFOFF-UHFFFAOYSA-N 0 0 314.385 2.340 10 30 DEEERN C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)Cc1cccc(C#N)c1 ZINC000750429804 638743622 /nfs/dbraw/zinc/74/36/22/638743622.db2.gz GFHISZYDQHZYOM-ZIAGYGMSSA-N 0 0 314.385 2.433 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)Cc1cccc(C#N)c1 ZINC000750431645 638743692 /nfs/dbraw/zinc/74/36/92/638743692.db2.gz UPNYEVHFKPRXFD-CQSZACIVSA-N 0 0 312.369 2.233 10 30 DEEERN C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)Cc1cccc(C#N)c1 ZINC000750429799 638744029 /nfs/dbraw/zinc/74/40/29/638744029.db2.gz GFHISZYDQHZYOM-KBPBESRZSA-N 0 0 314.385 2.433 10 30 DEEERN C#CCN(CC#C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000752074464 639153270 /nfs/dbraw/zinc/15/32/70/639153270.db2.gz BVXRTXNDTWBSRW-LBPRGKRZSA-N 0 0 312.196 2.302 10 30 DEEERN C#CCOc1ccc(C(=O)N[C@H](CC2CC2)C(=O)OCC)cc1 ZINC000752382609 639177299 /nfs/dbraw/zinc/17/72/99/639177299.db2.gz GGBIKEHOXAJLNV-MRXNPFEDSA-N 0 0 315.369 2.160 10 30 DEEERN CCOC(=O)[C@H](CC1CC1)NC(=O)CCc1ccc(C#N)cc1 ZINC000752385392 639178812 /nfs/dbraw/zinc/17/88/12/639178812.db2.gz PXIVKJCHBHMOMW-INIZCTEOSA-N 0 0 314.385 2.339 10 30 DEEERN C=CCC[C@H](OC(=O)c1ccc(=O)n(CCOC)c1)C1CC1 ZINC000752570673 639198489 /nfs/dbraw/zinc/19/84/89/639198489.db2.gz IIURFPIZRYJAPB-HNNXBMFYSA-N 0 0 305.374 2.396 10 30 DEEERN COc1ccc(CNC(=O)[C@@H](C)c2c(C)n[nH]c2C)cc1C#N ZINC000752615267 639202951 /nfs/dbraw/zinc/20/29/51/639202951.db2.gz ICZRTYHAOGISBZ-JTQLQIEISA-N 0 0 312.373 2.327 10 30 DEEERN COc1ccc(CNC(=O)N2CCC[C@@H]2C[C@@H](C)O)cc1C#N ZINC000752684625 639208355 /nfs/dbraw/zinc/20/83/55/639208355.db2.gz MAEZMGNZUSQEHF-IUODEOHRSA-N 0 0 317.389 2.012 10 30 DEEERN C=CCCCCCCNC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000805190515 640138541 /nfs/dbraw/zinc/13/85/41/640138541.db2.gz QKVMQLDWZOYITA-RRFJBIMHSA-N 0 0 307.438 2.431 10 30 DEEERN CCCCC1N=NC(=S)N1N=Cc1cnn2ccccc12 ZINC000729633377 640819407 /nfs/dbraw/zinc/81/94/07/640819407.db2.gz MUEFKDYPLBBFOJ-UHFFFAOYSA-N 0 0 300.391 2.439 10 30 DEEERN C#CC[C@@H](OC(=O)[C@H]1CC(=O)N(CC(C)C)C1)c1ccccn1 ZINC000729799100 640842372 /nfs/dbraw/zinc/84/23/72/640842372.db2.gz ZGBMCPVOUBRAJZ-GOEBONIOSA-N 0 0 314.385 2.194 10 30 DEEERN C#Cc1ccc(C(=O)N[C@H](C)Cc2ccc(OC)c(OC)c2)cn1 ZINC000730191375 643095307 /nfs/dbraw/zinc/09/53/07/643095307.db2.gz VHQQRVPDIKDNAU-CYBMUJFWSA-N 0 0 324.380 2.441 10 30 DEEERN C=CCC[C@H](O)C[N@H+]1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805787886 643284338 /nfs/dbraw/zinc/28/43/38/643284338.db2.gz AUZUNWCIWSXVOV-CYDGBPFRSA-N 0 0 322.371 2.091 10 30 DEEERN C=CC[C@H](NC(=O)C(=O)N1C[C@H](C)CC[C@H]1C)c1ccncc1 ZINC000805807561 643372630 /nfs/dbraw/zinc/37/26/30/643372630.db2.gz KBPWOOJYDPAFSB-FMKPAKJESA-N 0 0 315.417 2.462 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)O[C@@H]1CC(=O)N(C)[C@H]1C ZINC000806069685 644504455 /nfs/dbraw/zinc/50/44/55/644504455.db2.gz BBOXYVOJMMPQKW-SMDDNHRTSA-N 0 0 319.357 2.036 10 30 DEEERN C[C@]1(C#N)CCCN(C(=O)C2C[C@H]3CSC[C@@H](C2)C3=O)C1 ZINC000907338127 644508263 /nfs/dbraw/zinc/50/82/63/644508263.db2.gz ZULWZGGFJQEYKW-XQERAMJGSA-N 0 0 306.431 2.097 10 30 DEEERN C=CCCc1ccccc1NC(=O)N1CC(=O)N(C)C[C@@H]1C ZINC000800576825 645289680 /nfs/dbraw/zinc/28/96/80/645289680.db2.gz YQXXVTTWCZMWBZ-ZDUSSCGKSA-N 0 0 301.390 2.500 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800736814 645300955 /nfs/dbraw/zinc/30/09/55/645300955.db2.gz DDRHVZWJWDYOIM-IAQYHMDHSA-N 0 0 308.809 2.291 10 30 DEEERN C[C@@H](NC(=O)N1CCO[C@@H](C(F)F)C1)c1cccc(C#N)c1 ZINC000801027721 645332903 /nfs/dbraw/zinc/33/29/03/645332903.db2.gz XKFOFYDRMZNXAS-ZWNOBZJWSA-N 0 0 309.316 2.295 10 30 DEEERN C#C[C@H](NC(=O)N1CC[C@](F)(c2ccccc2)C1)[C@@H]1CCCO1 ZINC000801052299 645335446 /nfs/dbraw/zinc/33/54/46/645335446.db2.gz ZXHXMRLFISVPBO-XYJFISCASA-N 0 0 316.376 2.448 10 30 DEEERN C[C@@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccsc1 ZINC000801066171 645337581 /nfs/dbraw/zinc/33/75/81/645337581.db2.gz NVYABMYLNWPCRJ-RISCZKNCSA-N 0 0 304.419 2.191 10 30 DEEERN FC(F)[C@@H]1CN(CCOCC(F)(F)C(F)(F)F)CCO1 ZINC000801559129 645413943 /nfs/dbraw/zinc/41/39/43/645413943.db2.gz CYVWBIJGOLYEFB-ZETCQYMHSA-N 0 0 313.213 2.167 10 30 DEEERN N#Cc1cccc(-c2nnc(CN3CCO[C@H](C(F)F)C3)o2)c1 ZINC000801559464 645415414 /nfs/dbraw/zinc/41/54/14/645415414.db2.gz JKACXPRTXZHTMQ-LBPRGKRZSA-N 0 0 320.299 2.074 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)O[C@H]1CCN(CCF)C1 ZINC000802232219 645502997 /nfs/dbraw/zinc/50/29/97/645502997.db2.gz HBWYAYPOKVOMEO-AWEZNQCLSA-N 0 0 323.364 2.461 10 30 DEEERN C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCOC ZINC000802422014 645523705 /nfs/dbraw/zinc/52/37/05/645523705.db2.gz HMOVVGBWMVNLOJ-UHFFFAOYSA-N 0 0 323.400 2.153 10 30 DEEERN C=C[C@@](C)(CC)COC(=O)[C@H]1COCCN1CC(F)(F)F ZINC000802796639 645561098 /nfs/dbraw/zinc/56/10/98/645561098.db2.gz ITFVTLDOJMNHAE-YPMHNXCESA-N 0 0 309.328 2.395 10 30 DEEERN C#C[C@@H](C)Oc1ccc(COC(=O)[C@@H](C)CC(=O)OC)cc1 ZINC000802811848 645562988 /nfs/dbraw/zinc/56/29/88/645562988.db2.gz QKKQCJRTRFXSEZ-QWHCGFSZSA-N 0 0 304.342 2.330 10 30 DEEERN C#CCn1c(-c2cnnn2C)csc1=Nc1ccccc1C#N ZINC000803180806 645615240 /nfs/dbraw/zinc/61/52/40/645615240.db2.gz QYNDIBDTOKRCTP-UHFFFAOYSA-N 0 0 320.381 2.082 10 30 DEEERN C#CCOc1ccc(C(=O)N2CCCCC[C@@H]2CCO)cc1 ZINC000803621800 645675790 /nfs/dbraw/zinc/67/57/90/645675790.db2.gz NHTVLMIJEXNNHI-MRXNPFEDSA-N 0 0 301.386 2.466 10 30 DEEERN C#CCC(CC#C)C(=O)OCC1CN(C(=O)OC(C)(C)C)C1 ZINC000803698156 645681178 /nfs/dbraw/zinc/68/11/78/645681178.db2.gz GDSUXUVFCVYKDF-UHFFFAOYSA-N 0 0 305.374 2.059 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)c1nnnn1C1CCCCC1 ZINC000803699124 645681897 /nfs/dbraw/zinc/68/18/97/645681897.db2.gz RLOQWBGVBIUVNI-CYBMUJFWSA-N 0 0 314.389 2.445 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)C1CN(CC(F)(F)F)C1 ZINC000804454369 645774035 /nfs/dbraw/zinc/77/40/35/645774035.db2.gz OKQQYSDTFCIBTF-OAHLLOKOSA-N 0 0 324.346 2.231 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C(F)(F)C1(O)CCC1 ZINC000804454316 645774182 /nfs/dbraw/zinc/77/41/82/645774182.db2.gz OHPXYVTVARCMEN-AWEZNQCLSA-N 0 0 307.340 2.288 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1c(C)nc(N)nc1C ZINC000804459417 645775080 /nfs/dbraw/zinc/77/50/80/645775080.db2.gz VEJMCWLYCLYVTM-OAHLLOKOSA-N 0 0 308.385 2.040 10 30 DEEERN C#Cc1cncc(C(=O)NC[C@H](C(=O)OCC)c2ccccc2)c1 ZINC000806935966 645892968 /nfs/dbraw/zinc/89/29/68/645892968.db2.gz MNZJOWWJTWFRMM-KRWDZBQOSA-N 0 0 322.364 2.140 10 30 DEEERN C#Cc1cncc(C(=O)N2CCc3cc(OC)c(F)cc3C2)c1 ZINC000807202328 645923288 /nfs/dbraw/zinc/92/32/88/645923288.db2.gz RFRDILUESCHQEY-UHFFFAOYSA-N 0 0 310.328 2.409 10 30 DEEERN C#Cc1cncc(C(=O)NCc2ncc(-c3ccccc3)cn2)c1 ZINC000807252593 645929959 /nfs/dbraw/zinc/92/99/59/645929959.db2.gz GIPURXYMJBJNCS-UHFFFAOYSA-N 0 0 314.348 2.450 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnccc1C ZINC000807336844 645941057 /nfs/dbraw/zinc/94/10/57/645941057.db2.gz LBVBTLSWVTVHRO-MRXNPFEDSA-N 0 0 321.380 2.079 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1CCO ZINC000807465315 645953045 /nfs/dbraw/zinc/95/30/45/645953045.db2.gz AVUICMMEIBPGRI-IRXDYDNUSA-N 0 0 300.402 2.177 10 30 DEEERN CCc1nnc([C@]23CCC[C@H]2CN(c2cnccc2C#N)C3)o1 ZINC000912369794 646046521 /nfs/dbraw/zinc/04/65/21/646046521.db2.gz SNRXTZFKUQAHOB-GUYCJALGSA-N 0 0 309.373 2.457 10 30 DEEERN C#CCOCCC(=O)Oc1cccc(C(=O)N(CC)CC)c1 ZINC000166673259 646530954 /nfs/dbraw/zinc/53/09/54/646530954.db2.gz UQJTVYFIMDTQRP-UHFFFAOYSA-N 0 0 303.358 2.114 10 30 DEEERN C#C[C@H](C)OC(=O)c1cc(OC)c(OC(F)F)c(OC)c1 ZINC000174439719 646810848 /nfs/dbraw/zinc/81/08/48/646810848.db2.gz BZYPKLHMHQJFDC-QMMMGPOBSA-N 0 0 300.257 2.484 10 30 DEEERN C#C[C@H](C)OC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000151592534 646978137 /nfs/dbraw/zinc/97/81/37/646978137.db2.gz FZHRFKBEZVVEMY-WCBMZHEXSA-N 0 0 312.291 2.474 10 30 DEEERN C#C[C@H](OC(=O)[C@H](C)CS(=O)(=O)c1ccc(F)cc1)C1CC1 ZINC000152447307 647165876 /nfs/dbraw/zinc/16/58/76/647165876.db2.gz YYTVGKQBKAPDKH-ABAIWWIYSA-N 0 0 324.373 2.191 10 30 DEEERN C#C[C@H](OC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000152539927 647211199 /nfs/dbraw/zinc/21/11/99/647211199.db2.gz SCXNMANTHWEVTN-HLLBOEOZSA-N 0 0 315.344 2.300 10 30 DEEERN C[C@H](OC(=O)C1=COCCC1)C(=O)Nc1ccccc1C#N ZINC000730852199 647420751 /nfs/dbraw/zinc/42/07/51/647420751.db2.gz JTWLFYIGGAQDLF-NSHDSACASA-N 0 0 300.314 2.123 10 30 DEEERN CC[S@@](=O)CCNC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000741420947 647450012 /nfs/dbraw/zinc/45/00/12/647450012.db2.gz NESSQWQRWHIHLA-JOCHJYFZSA-N 0 0 321.446 2.247 10 30 DEEERN CS(=O)(=O)c1ccccc1NN=Cc1cnn2ccccc12 ZINC000731933933 647525262 /nfs/dbraw/zinc/52/52/62/647525262.db2.gz UMJDEAJLHVVDFH-UHFFFAOYSA-N 0 0 314.370 2.184 10 30 DEEERN Cc1ccc(NC(=S)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000732626344 647632814 /nfs/dbraw/zinc/63/28/14/647632814.db2.gz XTQVRZNBUZXYLH-HNNXBMFYSA-N 0 0 300.431 2.364 10 30 DEEERN N#C[C@@H]1CN(C(=S)Nc2ccc(F)cc2F)CCN1C1CC1 ZINC000732626012 647633119 /nfs/dbraw/zinc/63/31/19/647633119.db2.gz QJYAXGPEQFYIPV-GFCCVEGCSA-N 0 0 322.384 2.334 10 30 DEEERN C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732648592 647635991 /nfs/dbraw/zinc/63/59/91/647635991.db2.gz WATCGUFRRHGQTQ-SUMWQHHRSA-N 0 0 315.392 2.203 10 30 DEEERN N#C[C@@H]1CN(C(=O)CCc2ccc(Cl)cc2)CCN1C1CC1 ZINC000732652319 647637477 /nfs/dbraw/zinc/63/74/77/647637477.db2.gz VQFJVVMXXKVHGZ-MRXNPFEDSA-N 0 0 317.820 2.471 10 30 DEEERN C[C@@H]1CCCC[C@H]1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732702502 647644019 /nfs/dbraw/zinc/64/40/19/647644019.db2.gz URCGJSZWNNQYAM-IJEWVQPXSA-N 0 0 304.438 2.194 10 30 DEEERN C#CCN1CCN(C(=O)CCCc2ccc(F)c(F)c2)CC1 ZINC000154589622 648045717 /nfs/dbraw/zinc/04/57/17/648045717.db2.gz ZSPZIMCZRSZNBJ-UHFFFAOYSA-N 0 0 306.356 2.065 10 30 DEEERN CC(C)c1cc(C(=O)n2ncc(C#N)c2N)nn1C(C)(C)C ZINC000064447761 648337572 /nfs/dbraw/zinc/33/75/72/648337572.db2.gz XURCZUFJOBAFGC-UHFFFAOYSA-N 0 0 300.366 2.100 10 30 DEEERN Cn1cc(C#N)cc1C(=O)OCc1nccn1CC(F)(F)F ZINC000175569099 648354928 /nfs/dbraw/zinc/35/49/28/648354928.db2.gz AQMFMKAWKILQQR-UHFFFAOYSA-N 0 0 312.251 2.013 10 30 DEEERN Cc1nnc([C@@H](C)OC(=O)[C@@H](C)Oc2ccccc2C#N)o1 ZINC000068508669 648472249 /nfs/dbraw/zinc/47/22/49/648472249.db2.gz QXCPZHHSKCDEFC-NXEZZACHSA-N 0 0 301.302 2.321 10 30 DEEERN N#CC1(COC(=O)CN2C(=O)CSc3ccccc32)CCC1 ZINC000183918851 649201220 /nfs/dbraw/zinc/20/12/20/649201220.db2.gz FZJBOTHGUBSHOZ-UHFFFAOYSA-N 0 0 316.382 2.362 10 30 DEEERN C#CCCNC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000733288092 649537469 /nfs/dbraw/zinc/53/74/69/649537469.db2.gz ZMCUZOUBBUTAIR-SECBINFHSA-N 0 0 313.184 2.251 10 30 DEEERN C#CC[C@@H](OC(=O)c1cnn2ccc(C)nc12)c1ccccn1 ZINC000105549813 651137744 /nfs/dbraw/zinc/13/77/44/651137744.db2.gz XGSJYSMEYNCOJH-OAHLLOKOSA-N 0 0 306.325 2.354 10 30 DEEERN C#CCOc1ccccc1OC(=O)[C@H]1CCCN(C(=O)CC)C1 ZINC000107191403 651423811 /nfs/dbraw/zinc/42/38/11/651423811.db2.gz VJIUVGBRDRNYLX-AWEZNQCLSA-N 0 0 315.369 2.253 10 30 DEEERN CCOCCCNC(=O)[C@@H](C#N)C(=O)[C@H](C)CC1CCCC1 ZINC000114617565 651988608 /nfs/dbraw/zinc/98/86/08/651988608.db2.gz RQIHVUMAWRTOKA-HIFRSBDPSA-N 0 0 308.422 2.454 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C#N)nc1 ZINC000115011405 652092792 /nfs/dbraw/zinc/09/27/92/652092792.db2.gz OTWUYOWNRKVWPT-UHFFFAOYSA-N 0 0 306.325 2.121 10 30 DEEERN C#CCOc1ccccc1OC(=O)c1cccc(-n2cncn2)c1 ZINC000115914246 652265662 /nfs/dbraw/zinc/26/56/62/652265662.db2.gz OTIKCTPZRBUZJN-UHFFFAOYSA-N 0 0 319.320 2.499 10 30 DEEERN C=C(Br)CNC(=O)[C@@H](C)Oc1ccc(OC)cc1 ZINC000049297209 683920524 /nfs/dbraw/zinc/92/05/24/683920524.db2.gz MAKHZZOMRQAPOH-SNVBAGLBSA-N 0 0 314.179 2.487 10 30 DEEERN C#Cc1cccc(NC(=O)NC2CCN(C(=O)C(C)C)CC2)c1 ZINC000043984679 683901751 /nfs/dbraw/zinc/90/17/51/683901751.db2.gz KJBUDYQHPORZKS-UHFFFAOYSA-N 0 0 313.401 2.436 10 30 DEEERN C=CCOc1ccc(C(=O)OCc2nnc(CC)n2C)cc1 ZINC000118615794 684072653 /nfs/dbraw/zinc/07/26/53/684072653.db2.gz LGDXLSPXXZXODF-UHFFFAOYSA-N 0 0 301.346 2.299 10 30 DEEERN C#Cc1cccc(N(C)C(=O)COc2cccc(C(=O)NC)c2)c1 ZINC000129147451 684176408 /nfs/dbraw/zinc/17/64/08/684176408.db2.gz OIGNBRWGJDPFPA-UHFFFAOYSA-N 0 0 322.364 2.069 10 30 DEEERN C#CCSCCNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000130877754 684193597 /nfs/dbraw/zinc/19/35/97/684193597.db2.gz HFVMYBIBUHYWDK-UHFFFAOYSA-N 0 0 308.359 2.468 10 30 DEEERN CCOc1ccccc1CCC(=O)[C@H](C#N)C(=O)NC(C)C ZINC000130883994 684193738 /nfs/dbraw/zinc/19/37/38/684193738.db2.gz IWMQLLIVRDFAQL-AWEZNQCLSA-N 0 0 302.374 2.251 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CN(CCC#N)CCC#N ZINC000131009710 684195435 /nfs/dbraw/zinc/19/54/35/684195435.db2.gz VDVHOXGDVLWHAI-UHFFFAOYSA-N 0 0 319.372 2.212 10 30 DEEERN CC(=O)N1CCC(C(=O)OCc2ccc(C#N)cc2C)CC1 ZINC000131165359 684197344 /nfs/dbraw/zinc/19/73/44/684197344.db2.gz BTRWZQBNOADPHL-UHFFFAOYSA-N 0 0 300.358 2.168 10 30 DEEERN C=C[C@H](CC(=O)OCCn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000131746114 684202323 /nfs/dbraw/zinc/20/23/23/684202323.db2.gz YIXAUTUMWKBIBY-GFCCVEGCSA-N 0 0 316.317 2.089 10 30 DEEERN C#CCOCCC(=O)OCC1(c2ccccc2)CCOCC1 ZINC000193314953 685037507 /nfs/dbraw/zinc/03/75/07/685037507.db2.gz GOUWBGXARKWCRX-UHFFFAOYSA-N 0 0 302.370 2.318 10 30 DEEERN COc1ccccc1[C@H](O)CNC(=O)C1(C#N)CCCCC1 ZINC000194585569 685070221 /nfs/dbraw/zinc/07/02/21/685070221.db2.gz PWIHPDNWEVAUAC-CQSZACIVSA-N 0 0 302.374 2.319 10 30 DEEERN C=CCN(CC(=O)OCC)Cc1ccc2c(c1)sc(=O)n2C ZINC000194991539 685082944 /nfs/dbraw/zinc/08/29/44/685082944.db2.gz CRFAYHXSQXSODU-UHFFFAOYSA-N 0 0 320.414 2.151 10 30 DEEERN CC(C)NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246051899 685122187 /nfs/dbraw/zinc/12/21/87/685122187.db2.gz WETIIWJSBLTQTC-SDDRHHMPSA-N 0 0 306.312 2.302 10 30 DEEERN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000248119535 685154855 /nfs/dbraw/zinc/15/48/55/685154855.db2.gz DQOZOSZOBMTRIP-JMSVASOKSA-N 0 0 316.357 2.300 10 30 DEEERN CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)CC(C)(C)C#N)C1 ZINC000886063001 691995812 /nfs/dbraw/zinc/99/58/12/691995812.db2.gz DDYUESWZFLBISA-DZGCQCFKSA-N 0 0 317.389 2.016 10 30 DEEERN CC(=O)N1C[C@H](Nc2ccc(C#N)nc2)CC[C@H]1C(F)(F)F ZINC000886065993 691996160 /nfs/dbraw/zinc/99/61/60/691996160.db2.gz DRKRJRXSQUVMAY-OLZOCXBDSA-N 0 0 312.295 2.307 10 30 DEEERN COc1cccc(C#CCOC(=O)CCOC[C@@H]2CCCO2)c1 ZINC000176592130 782720023 /nfs/dbraw/zinc/72/00/23/782720023.db2.gz QFTJVRDIQRZUCS-KRWDZBQOSA-N 0 0 318.369 2.176 10 30 DEEERN CO[C@H]1CC[C@@H]1N(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000724118830 777246231 /nfs/dbraw/zinc/24/62/31/777246231.db2.gz CGCMQMBJXOMSQG-STQMWFEESA-N 0 0 314.794 2.010 10 30 DEEERN CN(C)C(=O)COc1cccc(C(=O)/C=C\c2cocn2)c1 ZINC000588579118 777496405 /nfs/dbraw/zinc/49/64/05/777496405.db2.gz WUMMXMQSXGPWCN-SREVYHEPSA-N 0 0 300.314 2.038 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@@H]1CNCc1nc(C#N)cs1 ZINC000724982319 777548970 /nfs/dbraw/zinc/54/89/70/777548970.db2.gz NHICFIQDUSMAPM-LLVKDONJSA-N 0 0 308.407 2.114 10 30 DEEERN C#CCOc1ccc(C(=O)OCC(=O)NC(C)(C)CC)cc1 ZINC000745212428 784699028 /nfs/dbraw/zinc/69/90/28/784699028.db2.gz HTFWWQXEOLMAQH-UHFFFAOYSA-N 0 0 303.358 2.160 10 30 DEEERN NS(=O)(=O)c1ccc(C/N=C/c2cc(Cl)ccc2O)cc1 ZINC000005287331 787093659 /nfs/dbraw/zinc/09/36/59/787093659.db2.gz CDWIMTMNEAKWNZ-RQZCQDPDSA-N 0 0 324.789 2.312 10 30 DEEERN C#CC[C@H](COC)NC(=O)c1cc(Br)ccc1F ZINC000716867154 793018667 /nfs/dbraw/zinc/01/86/67/793018667.db2.gz PFCOXLLTAIKUNP-SNVBAGLBSA-N 0 0 314.154 2.356 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)C(F)F ZINC000800146098 799322207 /nfs/dbraw/zinc/32/22/07/799322207.db2.gz VWLCGYOEDOERTJ-ZDUSSCGKSA-N 0 0 311.284 2.339 10 30 DEEERN C#CC1(O)CCN(c2ccc(C#N)c(Br)c2)CC1 ZINC000708101067 1078638854 /nfs/dbraw/zinc/63/88/54/1078638854.db2.gz GHVJPLHZHPQIOH-UHFFFAOYSA-N 0 0 305.175 2.285 10 30 DEEERN Cc1cc(S(=O)(=O)NCC[C@@H]2CCSC2)ccc1C#N ZINC000704786325 1086590821 /nfs/dbraw/zinc/59/08/21/1086590821.db2.gz HNCRCSLFPPQEAW-GFCCVEGCSA-N 0 0 310.444 2.288 10 30 DEEERN CSCC[C@H](C)N(C)S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720037564 1089428279 /nfs/dbraw/zinc/42/82/79/1089428279.db2.gz NULAKDHTUSFQQF-JTQLQIEISA-N 0 0 316.423 2.459 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCC(C)(C)O2)cc1 ZINC000278327142 214091993 /nfs/dbraw/zinc/09/19/93/214091993.db2.gz WGEGQYILAQSCEE-CQSZACIVSA-N 0 0 302.374 2.499 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1 ZINC000076650219 185028911 /nfs/dbraw/zinc/02/89/11/185028911.db2.gz CPOPPANHZUDINW-UHFFFAOYSA-N 0 0 310.419 2.405 10 30 DEEERN C=CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](CCF)C1 ZINC000624814585 365558780 /nfs/dbraw/zinc/55/87/80/365558780.db2.gz DWVGJLOUVZOEKW-LBPRGKRZSA-N 0 0 305.357 2.024 10 30 DEEERN C=CCn1c(N2CCO[C@@H](CCF)C2)nnc1[C@@]1(C)CCCO1 ZINC000624827578 365562305 /nfs/dbraw/zinc/56/23/05/365562305.db2.gz IYUCNILZUROBLV-XJKSGUPXSA-N 0 0 324.400 2.055 10 30 DEEERN C=CCn1c(N2CCO[C@H](CCF)C2)nnc1[C@@]1(C)CCCO1 ZINC000624827575 365562410 /nfs/dbraw/zinc/56/24/10/365562410.db2.gz IYUCNILZUROBLV-CZUORRHYSA-N 0 0 324.400 2.055 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000076854331 185047246 /nfs/dbraw/zinc/04/72/46/185047246.db2.gz CKKNDIWDAMUSMP-UHFFFAOYSA-N 0 0 315.366 2.199 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000076853645 185047286 /nfs/dbraw/zinc/04/72/86/185047286.db2.gz QGASEMQXQKRPBQ-UHFFFAOYSA-N 0 0 322.430 2.182 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCS[C@H]2CCCC[C@H]21 ZINC000612083290 361741369 /nfs/dbraw/zinc/74/13/69/361741369.db2.gz XTWMEWRGXBVXHR-ZNMIVQPWSA-N 0 0 310.463 2.344 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCCOc1cccc(C)c1C ZINC000278393239 214138198 /nfs/dbraw/zinc/13/81/98/214138198.db2.gz AGHFUKHXPKTYLG-HNNXBMFYSA-N 0 0 306.406 2.309 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1ccc(F)cc1C ZINC000612169438 361763379 /nfs/dbraw/zinc/76/33/79/361763379.db2.gz BFDQNWOPEDHUSR-INIZCTEOSA-N 0 0 306.381 2.264 10 30 DEEERN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C#N)cc1N ZINC000096601540 185384352 /nfs/dbraw/zinc/38/43/52/185384352.db2.gz DTFSZMWBXWZRQB-UHFFFAOYSA-N 0 0 305.334 2.389 10 30 DEEERN C=CC[C@H](C)NS(=O)(=O)c1cc(N)ccc1Br ZINC000162472655 197569186 /nfs/dbraw/zinc/56/91/86/197569186.db2.gz MAIHIAXPFOHGPB-QMMMGPOBSA-N 0 0 319.224 2.274 10 30 DEEERN C=C(C)Cn1c(-c2cccnc2)nnc1N1CC2(C1)CCCO2 ZINC000624966773 365602252 /nfs/dbraw/zinc/60/22/52/365602252.db2.gz UDXJRRDGTRIXFO-UHFFFAOYSA-N 0 0 311.389 2.285 10 30 DEEERN C=C(C)Cn1c([C@@H]2CCO[C@H]2C)nnc1N1CC2(C1)CCCO2 ZINC000624976789 365605307 /nfs/dbraw/zinc/60/53/07/365605307.db2.gz ISGYPRRFKYYESZ-UONOGXRCSA-N 0 0 318.421 2.116 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000625027239 365621316 /nfs/dbraw/zinc/62/13/16/365621316.db2.gz QMBQGUFZSQPDGE-ZNMIVQPWSA-N 0 0 303.406 2.032 10 30 DEEERN C=CCN(CC)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000096758728 185386501 /nfs/dbraw/zinc/38/65/01/185386501.db2.gz MOAZPDRWISAZMO-UHFFFAOYSA-N 0 0 300.358 2.097 10 30 DEEERN C=CCCCN(C)c1nnc(-c2cn[nH]c2)n1C[C@@H]1CCOC1 ZINC000625171098 365669207 /nfs/dbraw/zinc/66/92/07/365669207.db2.gz YQECFMLBGMQPES-ZDUSSCGKSA-N 0 0 316.409 2.107 10 30 DEEERN N#Cc1ccc(CS(=O)(=O)c2ncccc2N)c(Cl)c1 ZINC000163656220 197643618 /nfs/dbraw/zinc/64/36/18/197643618.db2.gz NYDDIYMTZJNWME-UHFFFAOYSA-N 0 0 307.762 2.163 10 30 DEEERN COC(=O)C[C@@H](C)SCC(=O)NC1(C#N)CCCCCC1 ZINC000078815973 185114271 /nfs/dbraw/zinc/11/42/71/185114271.db2.gz VKVJOKQQMRZNIE-GFCCVEGCSA-N 0 0 312.435 2.404 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccn(C2CCCC2)n1 ZINC000612670802 361888174 /nfs/dbraw/zinc/88/81/74/361888174.db2.gz OZOMIVHEKJBKKD-MRXNPFEDSA-N 0 0 318.421 2.085 10 30 DEEERN Cc1nnc([C@@H](C)NC(=O)NCc2ccc(C#N)cc2F)s1 ZINC000612704476 361897814 /nfs/dbraw/zinc/89/78/14/361897814.db2.gz AYPATSYXMMZDFT-MRVPVSSYSA-N 0 0 319.365 2.418 10 30 DEEERN N#Cc1cccc(C(=O)NCc2cnnn2-c2ccccc2)c1 ZINC000082358185 185177825 /nfs/dbraw/zinc/17/78/25/185177825.db2.gz JFAGIUPMXVZLPJ-UHFFFAOYSA-N 0 0 303.325 2.069 10 30 DEEERN Cc1ccnc(Cl)c1NS(=O)(=O)c1ccc(N)cc1C#N ZINC000088188771 185241312 /nfs/dbraw/zinc/24/13/12/185241312.db2.gz MSKXHAOSPMELBU-UHFFFAOYSA-N 0 0 322.777 2.298 10 30 DEEERN Cc1c(C#CCCO)cccc1C(=O)NCc1cscn1 ZINC000088443492 185250933 /nfs/dbraw/zinc/25/09/33/185250933.db2.gz MVQBMBNHBBBGQZ-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN Cc1cc(C)c(S(=O)(=O)N(CCC#N)C2CC2)c(C)c1N ZINC000165775316 197682394 /nfs/dbraw/zinc/68/23/94/197682394.db2.gz BDRGZEHIPNBYBN-UHFFFAOYSA-N 0 0 307.419 2.261 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCOC)c1ccc(C)o1 ZINC000613312959 362078057 /nfs/dbraw/zinc/07/80/57/362078057.db2.gz JGLQSZXRORFMGL-GJZGRUSLSA-N 0 0 322.405 2.253 10 30 DEEERN C=CCOCCNC(=O)c1c(C(F)(F)F)nc2n1CCCC2 ZINC000613360653 362090621 /nfs/dbraw/zinc/09/06/21/362090621.db2.gz HLEYLKBQZAHEAM-UHFFFAOYSA-N 0 0 317.311 2.171 10 30 DEEERN CC(=O)Nc1cccc(OCC#CCNC(=O)c2ccoc2)c1 ZINC000090732188 185311513 /nfs/dbraw/zinc/31/15/13/185311513.db2.gz RSTXSHPMRGXYLA-UHFFFAOYSA-N 0 0 312.325 2.050 10 30 DEEERN CC(=O)Nc1cccc(OCC#CCNC(=O)NC(C)(C)C)c1 ZINC000090732189 185311616 /nfs/dbraw/zinc/31/16/16/185311616.db2.gz CQABGARNQUOZRE-UHFFFAOYSA-N 0 0 317.389 2.125 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnn(-c2ccccc2)c1C(F)F ZINC000613486641 362126877 /nfs/dbraw/zinc/12/68/77/362126877.db2.gz RHLBSXARYIIHMI-LLVKDONJSA-N 0 0 321.327 2.477 10 30 DEEERN C=CC[NH2+]CC(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000092475389 185321040 /nfs/dbraw/zinc/32/10/40/185321040.db2.gz NMHXHPCJWGFUKG-UHFFFAOYSA-N 0 0 302.252 2.118 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)C1 ZINC000625351368 365742341 /nfs/dbraw/zinc/74/23/41/365742341.db2.gz WASFWIRYRPXCNJ-CQSZACIVSA-N 0 0 322.430 2.256 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2c(CC)nn(C)c2CC)C1 ZINC000625349947 365742389 /nfs/dbraw/zinc/74/23/89/365742389.db2.gz HLJOTMVOHARWKP-LBPRGKRZSA-N 0 0 311.451 2.132 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCc2cccc(C)c2C1 ZINC000614001977 362260107 /nfs/dbraw/zinc/26/01/07/362260107.db2.gz BJTISCTVJYSFTN-QGZVFWFLSA-N 0 0 300.402 2.351 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)c2cc(CCCCC)n[nH]2)C1=O ZINC000614394119 362370019 /nfs/dbraw/zinc/37/00/19/362370019.db2.gz NJWNPVDQBFFKBM-OAHLLOKOSA-N 0 0 318.421 2.001 10 30 DEEERN CN(C[C@H]1CCCO1)C(=O)Nc1ncccc1OCCCC#N ZINC000186443420 529967445 /nfs/dbraw/zinc/96/74/45/529967445.db2.gz VJLKHDXOUNKNDS-CYBMUJFWSA-N 0 0 318.377 2.407 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1nc(CN2CCCCC2)no1 ZINC000614465976 362388227 /nfs/dbraw/zinc/38/82/27/362388227.db2.gz HOMFQINKPNJXIY-CYBMUJFWSA-N 0 0 306.410 2.274 10 30 DEEERN COC(=O)Cc1cccc(C(=O)N[C@@](C)(C#N)CC(C)C)c1 ZINC000614503186 362397361 /nfs/dbraw/zinc/39/73/61/362397361.db2.gz PGNNATPPQVVMCO-QGZVFWFLSA-N 0 0 302.374 2.460 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CC[C@@H](OC)C1 ZINC000614723232 362445698 /nfs/dbraw/zinc/44/56/98/362445698.db2.gz WXCYXMXNOMSBTR-ZIAGYGMSSA-N 0 0 307.390 2.492 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C)c2nccn2c1 ZINC000615349926 362591302 /nfs/dbraw/zinc/59/13/02/362591302.db2.gz SBWVBTFIEYTXKP-CQSZACIVSA-N 0 0 300.362 2.052 10 30 DEEERN COc1ccc(OC)c([C@@H](C)NC(=O)C2(C#N)CCOCC2)c1 ZINC000109138615 185553808 /nfs/dbraw/zinc/55/38/08/185553808.db2.gz HDPJPNFFJGNIMN-GFCCVEGCSA-N 0 0 318.373 2.201 10 30 DEEERN CC[C@@H]1CO[C@@H](C)CN1C(=O)c1sccc1C#CCCO ZINC000111532987 185611289 /nfs/dbraw/zinc/61/12/89/185611289.db2.gz UQQMWSGPABKSOJ-GXTWGEPZSA-N 0 0 307.415 2.122 10 30 DEEERN COC(=O)CC1(CC(=O)N[C@@]2(C#N)CCSC2)CCCC1 ZINC000615656279 362672420 /nfs/dbraw/zinc/67/24/20/362672420.db2.gz LMLJRWGYMAAVKG-OAHLLOKOSA-N 0 0 310.419 2.015 10 30 DEEERN CC(C)[C@@H](CNC(=O)N1CCC(C)(C#N)CC1)c1ccnn1C ZINC000615960981 362739325 /nfs/dbraw/zinc/73/93/25/362739325.db2.gz QOKUMPBYXBOMIP-CQSZACIVSA-N 0 0 317.437 2.495 10 30 DEEERN Cc1nnc(NC(=O)c2ccc(C#CCCO)c(Cl)c2)s1 ZINC000123703565 185834364 /nfs/dbraw/zinc/83/43/64/185834364.db2.gz QKSMXAMDLZFQAN-UHFFFAOYSA-N 0 0 321.789 2.486 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CCC4(CCC4)C3)cc2C1=O ZINC000157860860 539573730 /nfs/dbraw/zinc/57/37/30/539573730.db2.gz YPBXRDIVTWGACH-UHFFFAOYSA-N 0 0 324.380 2.485 10 30 DEEERN CS(=O)(=O)N1CCc2ccccc2[C@H]1c1ccc(C#N)cc1 ZINC000616681487 362908682 /nfs/dbraw/zinc/90/86/82/362908682.db2.gz YIRDLSXBFYYNNU-QGZVFWFLSA-N 0 0 312.394 2.465 10 30 DEEERN C=C[C@H](O)C(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000616709511 362916563 /nfs/dbraw/zinc/91/65/63/362916563.db2.gz IBTCZBYJHANARO-NSHDSACASA-N 0 0 301.264 2.237 10 30 DEEERN COc1ccc(C(=O)CCC(=O)N[C@@H](C#N)C2CC2)cc1F ZINC000176035367 539625397 /nfs/dbraw/zinc/62/53/97/539625397.db2.gz PWFVIZODEAURGA-ZDUSSCGKSA-N 0 0 304.321 2.216 10 30 DEEERN CCCC(=O)NCC(=O)Nc1cccc(OCCCC#N)c1 ZINC000080374254 192153111 /nfs/dbraw/zinc/15/31/11/192153111.db2.gz XRSASICEUHWPBK-UHFFFAOYSA-N 0 0 303.362 2.224 10 30 DEEERN O=C(NCc1ccc(C#CCO)s1)c1ccc(F)c(F)c1 ZINC000071322407 190957781 /nfs/dbraw/zinc/95/77/81/190957781.db2.gz UYGGSMQFRFXWIR-UHFFFAOYSA-N 0 0 307.321 2.300 10 30 DEEERN C[C@@H]1[C@H](C)SCCN1C(=O)c1cccc(C#CCCO)c1 ZINC000133633349 186001882 /nfs/dbraw/zinc/00/18/82/186001882.db2.gz QVTVFKTWCDNIFF-KGLIPLIRSA-N 0 0 303.427 2.387 10 30 DEEERN Cc1cc(C#CCO)cc(C(=O)N2CCS[C@@H](C)[C@@H]2C)c1 ZINC000133658917 186003770 /nfs/dbraw/zinc/00/37/70/186003770.db2.gz WFKUZSOEPRYXEJ-KBPBESRZSA-N 0 0 303.427 2.305 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)CCC ZINC000245841950 539758745 /nfs/dbraw/zinc/75/87/45/539758745.db2.gz JZRHJQJXIUKXFY-KGLIPLIRSA-N 0 0 316.467 2.052 10 30 DEEERN CC(C)CN(CCS(=O)(=O)c1cccc(C#N)c1)C1CC1 ZINC000147417392 186039542 /nfs/dbraw/zinc/03/95/42/186039542.db2.gz KIPXZAHGYXNONY-UHFFFAOYSA-N 0 0 306.431 2.452 10 30 DEEERN Cc1cc(OCc2ccc(C#N)cc2)ccc1S(N)(=O)=O ZINC000147378543 186039612 /nfs/dbraw/zinc/03/96/12/186039612.db2.gz YTSMHVMHRCRANY-UHFFFAOYSA-N 0 0 302.355 2.093 10 30 DEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc(N)cc(Br)c1 ZINC000147762623 186041217 /nfs/dbraw/zinc/04/12/17/186041217.db2.gz OYOYPCCPFURPIZ-PRHODGIISA-N 0 0 308.179 2.453 10 30 DEEERN C=CCNC(=O)CSc1ccc(N)cc1Br ZINC000148235731 186043730 /nfs/dbraw/zinc/04/37/30/186043730.db2.gz ZEFHKYXDUVCFHW-UHFFFAOYSA-N 0 0 301.209 2.426 10 30 DEEERN Cc1cc(C(=O)NN2[C@@H](C)CCC[C@@H]2C)sc1C#CCO ZINC000149852287 186052891 /nfs/dbraw/zinc/05/28/91/186052891.db2.gz HGBPDODWSRARIG-STQMWFEESA-N 0 0 306.431 2.308 10 30 DEEERN O=C(NCc1sccc1C#CCO)c1ccc(F)cc1F ZINC000148570309 186045236 /nfs/dbraw/zinc/04/52/36/186045236.db2.gz FDONTDJUKWCLIM-UHFFFAOYSA-N 0 0 307.321 2.300 10 30 DEEERN C=CCNC(=O)NC(=O)[C@@H](C)Nc1cccc([C@H](C)OC)c1 ZINC000171088709 197878774 /nfs/dbraw/zinc/87/87/74/197878774.db2.gz JUDOJDOYZUPNIB-NEPJUHHUSA-N 0 0 305.378 2.206 10 30 DEEERN Cc1cc([N+](=O)[O-])cn(CCCOc2cccc(C#N)c2)c1=O ZINC000155805512 186114467 /nfs/dbraw/zinc/11/44/67/186114467.db2.gz YLQABEDMQMXAMK-UHFFFAOYSA-N 0 0 313.313 2.406 10 30 DEEERN C=C[C@H](C)NS(=O)(=O)c1cc(N)cc(Br)c1F ZINC000159692143 186135895 /nfs/dbraw/zinc/13/58/95/186135895.db2.gz GGXFLLHGQRLUIY-LURJTMIESA-N 0 0 323.187 2.023 10 30 DEEERN C#C[C@@H](C)NC(=O)N[C@H](CC(=O)OCC)c1ccccc1C ZINC000186058651 186236858 /nfs/dbraw/zinc/23/68/58/186236858.db2.gz HFBVFBNBWYXUTR-UKRRQHHQSA-N 0 0 302.374 2.310 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)CC(C)C ZINC000617037964 363006861 /nfs/dbraw/zinc/00/68/61/363006861.db2.gz TUHADKJWPOPMCJ-KGLIPLIRSA-N 0 0 301.452 2.308 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000617043762 363008145 /nfs/dbraw/zinc/00/81/45/363008145.db2.gz DRVYCJHOWIBPBV-KBPBESRZSA-N 0 0 317.433 2.388 10 30 DEEERN C[C@@H](NC(=O)NCCSCc1ccccc1C#N)[C@H](C)CO ZINC000172595619 198120612 /nfs/dbraw/zinc/12/06/12/198120612.db2.gz QLPFXVQQDUGXEK-CHWSQXEVSA-N 0 0 321.446 2.108 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(c2ccco2)CC1 ZINC000617386892 363118327 /nfs/dbraw/zinc/11/83/27/363118327.db2.gz RRRJDGUXSDWLFT-HNNXBMFYSA-N 0 0 304.390 2.457 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCCN(C)C1=O ZINC000294578761 539843792 /nfs/dbraw/zinc/84/37/92/539843792.db2.gz UXPNHNMFBIHVHF-MRXNPFEDSA-N 0 0 316.401 2.078 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)c1ccc3nnc(C)n3c1)CCC2 ZINC000328832332 539911162 /nfs/dbraw/zinc/91/11/62/539911162.db2.gz ROBSAYLHUXYBSY-ZDUSSCGKSA-N 0 0 324.388 2.425 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC([O-])=[NH+]CCc1cscn1)CCC2 ZINC000328657406 539909484 /nfs/dbraw/zinc/90/94/84/539909484.db2.gz OXYYJFUILNLMLG-LBPRGKRZSA-N 0 0 319.434 2.272 10 30 DEEERN O=C(N[C@@H]1CCCC12CCOCC2)N1CC2(C1)CCCOC2 ZINC000329477900 539921734 /nfs/dbraw/zinc/92/17/34/539921734.db2.gz CBHODYSRQVWUNH-CQSZACIVSA-N 0 0 308.422 2.362 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](CO)C1CCCC1 ZINC000292144352 222866178 /nfs/dbraw/zinc/86/61/78/222866178.db2.gz YLHZZJOFRLBPES-ZWKOTPCHSA-N 0 0 314.429 2.471 10 30 DEEERN C[C@H]1CCN2C(=O)N(Cc3ccc(C#N)cc3F)C(=O)[C@@H]2C1 ZINC000617675165 363220836 /nfs/dbraw/zinc/22/08/36/363220836.db2.gz RKPPTFGCAOZULS-HZMBPMFUSA-N 0 0 301.321 2.260 10 30 DEEERN C=CCNS(=O)(=O)c1cccc(C(=O)NCC2(C)CCC2)c1 ZINC000175084609 198425467 /nfs/dbraw/zinc/42/54/67/198425467.db2.gz DQICGFYSSDHMDW-UHFFFAOYSA-N 0 0 322.430 2.071 10 30 DEEERN CCn1cc(C=NNS(=O)(=O)c2ccc(C)cc2C)c(C)n1 ZINC000006961782 353998103 /nfs/dbraw/zinc/99/81/03/353998103.db2.gz TZWQLIIXXSRDBE-UHFFFAOYSA-N 0 0 320.418 2.141 10 30 DEEERN C=CCOCC(=O)N1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000618075613 363368771 /nfs/dbraw/zinc/36/87/71/363368771.db2.gz WDDFKWBTXBIQRV-JTQLQIEISA-N 0 0 315.295 2.362 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000626391275 366171504 /nfs/dbraw/zinc/17/15/04/366171504.db2.gz QPYNYOXRPBEIBK-GFCCVEGCSA-N 0 0 323.418 2.072 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000626391276 366171741 /nfs/dbraw/zinc/17/17/41/366171741.db2.gz QPYNYOXRPBEIBK-LBPRGKRZSA-N 0 0 323.418 2.072 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000618115333 363379864 /nfs/dbraw/zinc/37/98/64/363379864.db2.gz ZERPSQKRZJUBDE-CVEARBPZSA-N 0 0 305.374 2.287 10 30 DEEERN C=CCOCCCNC(=O)NCC1(C(=O)OC)CCCCC1 ZINC000595578831 358490820 /nfs/dbraw/zinc/49/08/20/358490820.db2.gz JTQNMAJVZJFKNJ-UHFFFAOYSA-N 0 0 312.410 2.002 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000076487384 355152292 /nfs/dbraw/zinc/15/22/92/355152292.db2.gz ZFGWMEZTTZWDPS-UHFFFAOYSA-N 0 0 300.358 2.378 10 30 DEEERN C=CCCCN(C)C(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000076954913 355175517 /nfs/dbraw/zinc/17/55/17/355175517.db2.gz KXXUJNJVIOFWAP-UHFFFAOYSA-N 0 0 315.417 2.179 10 30 DEEERN N#Cc1cc(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)ccc1F ZINC000408072605 283088928 /nfs/dbraw/zinc/08/89/28/283088928.db2.gz NXEINEDSNJYAAD-CYBMUJFWSA-N 0 0 316.254 2.227 10 30 DEEERN CN1c2ccc(CC(=O)Nc3cccc(C#N)c3)cc2CC1=O ZINC000074961503 191396377 /nfs/dbraw/zinc/39/63/77/191396377.db2.gz IIAMFQAZRDWKNA-UHFFFAOYSA-N 0 0 305.337 2.258 10 30 DEEERN C=CCOCCCC(=O)N(C)CC(=O)Nc1cccc(F)c1 ZINC000079285054 355304210 /nfs/dbraw/zinc/30/42/10/355304210.db2.gz IEGRLTDUNMAWAR-UHFFFAOYSA-N 0 0 308.353 2.205 10 30 DEEERN C=CCN(Cc1ccccc1F)S(=O)(=O)c1cn(CC)cn1 ZINC000080728784 355383111 /nfs/dbraw/zinc/38/31/11/355383111.db2.gz MHFAQPPSWQXAKZ-UHFFFAOYSA-N 0 0 323.393 2.419 10 30 DEEERN C#Cc1cccc(NC(=O)N(C)Cc2nc([C@H](C)OC)no2)c1 ZINC000081604882 355441526 /nfs/dbraw/zinc/44/15/26/355441526.db2.gz IDLDXGUUZKPQMU-NSHDSACASA-N 0 0 314.345 2.422 10 30 DEEERN C#Cc1cccc(NC(=O)N(C)Cc2nc([C@@H](C)OC)no2)c1 ZINC000081604885 355441558 /nfs/dbraw/zinc/44/15/58/355441558.db2.gz IDLDXGUUZKPQMU-LLVKDONJSA-N 0 0 314.345 2.422 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(N(C)C)cc1C ZINC000077862064 191786267 /nfs/dbraw/zinc/78/62/67/191786267.db2.gz QMNLMYWCDONIIH-UHFFFAOYSA-N 0 0 303.406 2.424 10 30 DEEERN N#Cc1nc2cc(N3CCOCC3)ccc2c(N2CCCCC2)n1 ZINC000118871457 355782122 /nfs/dbraw/zinc/78/21/22/355782122.db2.gz YMHMOEFKEWJWOM-UHFFFAOYSA-N 0 0 323.400 2.328 10 30 DEEERN N#CC1CCN(C(=O)NCc2cn3cc(Cl)ccc3n2)CC1 ZINC000144235898 355902728 /nfs/dbraw/zinc/90/27/28/355902728.db2.gz PTPBBRXYHMILDJ-UHFFFAOYSA-N 0 0 317.780 2.433 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)CCO1 ZINC000155600306 355948358 /nfs/dbraw/zinc/94/83/58/355948358.db2.gz IUWIWZODFSNYDZ-BREBYQMCSA-N 0 0 323.755 2.269 10 30 DEEERN COc1cccc(F)c1[C@H](C)NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000179895970 356036274 /nfs/dbraw/zinc/03/62/74/356036274.db2.gz CYBINSJDWCFLER-APPDUMDISA-N 0 0 319.380 2.293 10 30 DEEERN CCN(CCC#N)C(=O)CN[C@H](C)c1c(F)cccc1OC ZINC000179890981 356036433 /nfs/dbraw/zinc/03/64/33/356036433.db2.gz HWEHPBXBFMAKSL-GFCCVEGCSA-N 0 0 307.369 2.247 10 30 DEEERN CC(C)COC[C@@H](O)CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180612981 356055182 /nfs/dbraw/zinc/05/51/82/356055182.db2.gz HFWYZOFQIKDTJD-INIZCTEOSA-N 0 0 316.401 2.005 10 30 DEEERN COCCc1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)n(C)n1 ZINC000182021870 356106097 /nfs/dbraw/zinc/10/60/97/356106097.db2.gz XROOHWCKOOHVFS-UHFFFAOYSA-N 0 0 324.384 2.416 10 30 DEEERN CC(C)CS(=O)(=O)Nc1cc(C#CCCO)ccc1Cl ZINC000080192748 192011089 /nfs/dbraw/zinc/01/10/89/192011089.db2.gz ZFGWBJJUUCJZRP-UHFFFAOYSA-N 0 0 315.822 2.472 10 30 DEEERN Cc1cc([C@@H]2CN(C(=O)NC[C@@H](C)C#N)CCO2)ccc1F ZINC000182834285 356148638 /nfs/dbraw/zinc/14/86/38/356148638.db2.gz XQMVSMCMSIAJSS-NHYWBVRUSA-N 0 0 305.353 2.377 10 30 DEEERN N#Cc1cc(OC(F)(F)F)c(I)cn1 ZINC000238526495 356304088 /nfs/dbraw/zinc/30/40/88/356304088.db2.gz IXUYKNFRRWFPIJ-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN COCCOc1cc(C)ccc1NC(=O)c1cc(C#N)cn1C ZINC000081033541 192217824 /nfs/dbraw/zinc/21/78/24/192217824.db2.gz ITLRLOFVNVZGEA-UHFFFAOYSA-N 0 0 313.357 2.483 10 30 DEEERN Cc1nc(-c2ccc(NC(=O)c3cc(C#N)cn3C)cc2)n[nH]1 ZINC000081061380 192220766 /nfs/dbraw/zinc/22/07/66/192220766.db2.gz JWRKERYUDYYJGO-UHFFFAOYSA-N 0 0 306.329 2.243 10 30 DEEERN COC(=O)c1cc(I)c(C)c(C#N)c1 ZINC000306560820 356404473 /nfs/dbraw/zinc/40/44/73/356404473.db2.gz BKSZZNYTJDKNOP-UHFFFAOYSA-N 0 0 301.083 2.258 10 30 DEEERN COC(=O)c1c(I)ccc(C)c1C#N ZINC000306599763 356404595 /nfs/dbraw/zinc/40/45/95/356404595.db2.gz IBLZSDMVCPRNEY-UHFFFAOYSA-N 0 0 301.083 2.258 10 30 DEEERN COC(=O)c1cc(C#N)c(C)cc1I ZINC000306785649 356405330 /nfs/dbraw/zinc/40/53/30/356405330.db2.gz UCYFPYBYGXDDLW-UHFFFAOYSA-N 0 0 301.083 2.258 10 30 DEEERN C[N@H+](CC1CC1)C[C@@H]1CN(C(=O)N[C@H]2C=CCCC2)CCO1 ZINC000328625605 356462549 /nfs/dbraw/zinc/46/25/49/356462549.db2.gz DICWWJBTPNLYOH-JKSUJKDBSA-N 0 0 307.438 2.052 10 30 DEEERN CN(C[C@H]1CCn2ccnc2C1)C(=O)c1sccc1C#N ZINC000328627514 356463227 /nfs/dbraw/zinc/46/32/27/356463227.db2.gz MUPGCOADUQOWCB-NSHDSACASA-N 0 0 300.387 2.151 10 30 DEEERN Cc1cscc1NC(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 ZINC000328627193 356463423 /nfs/dbraw/zinc/46/34/23/356463423.db2.gz MOVQGPMPFDMHMM-LBPRGKRZSA-N 0 0 305.407 2.314 10 30 DEEERN C[C@@H](C(=O)OC(C)(C)C)N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000081567369 192292750 /nfs/dbraw/zinc/29/27/50/192292750.db2.gz IDCSNYQEXMPBTN-LBPRGKRZSA-N 0 0 317.389 2.159 10 30 DEEERN Cn1cc([C@H](NC(=O)c2cc(O)cc(C#N)c2)C(F)(F)F)cn1 ZINC000618541576 363520761 /nfs/dbraw/zinc/52/07/61/363520761.db2.gz BDBYKNPUOGBVSY-LBPRGKRZSA-N 0 0 324.262 2.031 10 30 DEEERN C=CCOCCCNC(=O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000618523796 363515773 /nfs/dbraw/zinc/51/57/73/363515773.db2.gz QDVVEBTUBPLOJQ-UHFFFAOYSA-N 0 0 304.321 2.402 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(OCC(F)(F)F)cn1 ZINC000618524507 363516129 /nfs/dbraw/zinc/51/61/29/363516129.db2.gz HQNXJPIJLFJTCG-UHFFFAOYSA-N 0 0 318.295 2.345 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(-c2n[nH]c(CC)n2)cc1 ZINC000618526280 363517581 /nfs/dbraw/zinc/51/75/81/363517581.db2.gz PKKMKEDLRIAKOU-UHFFFAOYSA-N 0 0 314.389 2.357 10 30 DEEERN C=CCCOCCNC(=O)Nc1cn(C)nc1-c1ccco1 ZINC000626819052 366335404 /nfs/dbraw/zinc/33/54/04/366335404.db2.gz YKPIVFLXKPCUMS-UHFFFAOYSA-N 0 0 304.350 2.394 10 30 DEEERN Cc1ncc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)cc1C#N ZINC000387001828 356700986 /nfs/dbraw/zinc/70/09/86/356700986.db2.gz WYOSNFNTELIWOH-WZRBSPASSA-N 0 0 307.419 2.317 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC000581190455 357145877 /nfs/dbraw/zinc/14/58/77/357145877.db2.gz QEKTXULCFOMROU-OCCSQVGLSA-N 0 0 300.362 2.339 10 30 DEEERN CC(=O)N1CC[C@@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000581731093 357240294 /nfs/dbraw/zinc/24/02/94/357240294.db2.gz KMHBVKMNMQJSQY-DOTOQJQBSA-N 0 0 313.401 2.059 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586860222 357377708 /nfs/dbraw/zinc/37/77/08/357377708.db2.gz XIRFVUNUPWSWOK-LBPRGKRZSA-N 0 0 317.364 2.175 10 30 DEEERN CC(=O)N1CC[C@H](CNc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000589101943 357442814 /nfs/dbraw/zinc/44/28/14/357442814.db2.gz OVIYUOAAVUZOKS-SNVBAGLBSA-N 0 0 312.295 2.252 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000590674583 357577432 /nfs/dbraw/zinc/57/74/32/357577432.db2.gz AVGXFHSBKNKVTM-ARFHVFGLSA-N 0 0 311.385 2.100 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NCCCc1ccccn1 ZINC000178913461 198952171 /nfs/dbraw/zinc/95/21/71/198952171.db2.gz DQBXXGKUSQEYCP-UHFFFAOYSA-N 0 0 315.398 2.173 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)CC#N ZINC000591650974 357747937 /nfs/dbraw/zinc/74/79/37/357747937.db2.gz JGUHLFJBNOEELA-KGLIPLIRSA-N 0 0 303.410 2.487 10 30 DEEERN C=CCn1c(-c2scnc2C)nnc1N1CC[C@](F)(C#N)C1 ZINC000592402317 357873866 /nfs/dbraw/zinc/87/38/66/357873866.db2.gz VRVHNOAGGKVBJT-AWEZNQCLSA-N 0 0 318.381 2.338 10 30 DEEERN C=CCSCCNC(=O)NC[C@@]1(CO)CCc2ccccc21 ZINC000593331072 358055819 /nfs/dbraw/zinc/05/58/19/358055819.db2.gz TVMVPASGNRCQAK-QGZVFWFLSA-N 0 0 320.458 2.081 10 30 DEEERN N#Cc1ccc(CN2CCN(C(=O)c3cccc(F)c3)CC2)o1 ZINC000179997504 199104784 /nfs/dbraw/zinc/10/47/84/199104784.db2.gz JXMKNFVLGBOWEY-UHFFFAOYSA-N 0 0 313.332 2.248 10 30 DEEERN C=CCCCCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593558223 358102361 /nfs/dbraw/zinc/10/23/61/358102361.db2.gz RZEMBOZMTQMQBL-UHFFFAOYSA-N 0 0 313.379 2.357 10 30 DEEERN C=CCC[C@H](CO)NC(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000593739407 358134368 /nfs/dbraw/zinc/13/43/68/358134368.db2.gz ZOLGPWHAQGRFCV-BFHYXJOUSA-N 0 0 311.422 2.188 10 30 DEEERN C#CCCCCC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000180188952 199128464 /nfs/dbraw/zinc/12/84/64/199128464.db2.gz MMRHVKWIXDARBW-MRXNPFEDSA-N 0 0 302.422 2.327 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000185222887 199826989 /nfs/dbraw/zinc/82/69/89/199826989.db2.gz KOSSIACEJMPOOF-WFASDCNBSA-N 0 0 316.405 2.496 10 30 DEEERN C=CCCn1cc(C[S@@](=O)Cc2ccc(C)nc2C)nn1 ZINC000593936387 358175062 /nfs/dbraw/zinc/17/50/62/358175062.db2.gz AIUNRWUVAMSWPJ-NRFANRHFSA-N 0 0 304.419 2.315 10 30 DEEERN C=CCCn1cc(C[S@](=O)Cc2ccc(C#N)cc2)nn1 ZINC000593939796 358175308 /nfs/dbraw/zinc/17/53/08/358175308.db2.gz KJYFHQACWHCVGK-OAQYLSRUSA-N 0 0 300.387 2.175 10 30 DEEERN C=CCCn1cc(CSc2nc(C)nc(C)c2C#N)nn1 ZINC000594456152 358277363 /nfs/dbraw/zinc/27/73/63/358277363.db2.gz KCDLALZPFLSFRP-UHFFFAOYSA-N 0 0 300.391 2.425 10 30 DEEERN C=CCn1c(-c2cccc(C#N)c2)nnc1N(C[C@@H](C)O)C1CC1 ZINC000594472202 358279247 /nfs/dbraw/zinc/27/92/47/358279247.db2.gz AQSQEKMDSZSTGF-CYBMUJFWSA-N 0 0 323.400 2.352 10 30 DEEERN C=CCCn1cc(CS[C@@H]2CCN(C(C)(C)C)C2=O)nn1 ZINC000594565393 358294793 /nfs/dbraw/zinc/29/47/93/358294793.db2.gz HJKFHCSKWLKRQT-CYBMUJFWSA-N 0 0 308.451 2.487 10 30 DEEERN C=CCCC1(CNS(=O)(=O)C[C@H](C)C(=O)OC)CCCC1 ZINC000594799145 358339157 /nfs/dbraw/zinc/33/91/57/358339157.db2.gz OYCQGBSRIALSOX-ZDUSSCGKSA-N 0 0 317.451 2.242 10 30 DEEERN C=CCN([C@H](C)COC)S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000594813319 358341598 /nfs/dbraw/zinc/34/15/98/358341598.db2.gz PKGQLKHBQUEHHI-CQSZACIVSA-N 0 0 322.430 2.105 10 30 DEEERN C=CCCSCCNS(=O)(=O)c1ccsc1C#N ZINC000594818050 358343490 /nfs/dbraw/zinc/34/34/90/358343490.db2.gz RYDMKKOQVOCUQO-UHFFFAOYSA-N 0 0 302.446 2.207 10 30 DEEERN CC(=O)N(C)c1cccc(NC(=O)N2CC[C@](C)(C#N)C2)c1 ZINC000596786805 358761810 /nfs/dbraw/zinc/76/18/10/358761810.db2.gz XVJNUFNIYWVCCD-MRXNPFEDSA-N 0 0 300.362 2.437 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000596840851 358772765 /nfs/dbraw/zinc/77/27/65/358772765.db2.gz DLOAVKBWHXESCJ-ABAIWWIYSA-N 0 0 319.361 2.243 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](OC)[C@H]1CCOC1 ZINC000596975215 358797485 /nfs/dbraw/zinc/79/74/85/358797485.db2.gz ZBWRSCCHWMVFJB-DLBZAZTESA-N 0 0 314.385 2.124 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H](CC)CSC ZINC000597304886 358884544 /nfs/dbraw/zinc/88/45/44/358884544.db2.gz GDUOFVCQKBYGQH-MGPQQGTHSA-N 0 0 312.479 2.495 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc([C@H](C)CC)c1 ZINC000627456692 366527466 /nfs/dbraw/zinc/52/74/66/366527466.db2.gz VASHTYFLVSZSEF-ZIAGYGMSSA-N 0 0 318.417 2.439 10 30 DEEERN C=CCN(CCC#N)C(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC000597683931 358978165 /nfs/dbraw/zinc/97/81/65/358978165.db2.gz LEXMWAFUQRKNMM-HZPDHXFCSA-N 0 0 300.358 2.071 10 30 DEEERN C=CCOCCCNC(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000598208675 359122985 /nfs/dbraw/zinc/12/29/85/359122985.db2.gz MZNRINMEHNMDIZ-UONOGXRCSA-N 0 0 311.422 2.453 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000598160701 359110617 /nfs/dbraw/zinc/11/06/17/359110617.db2.gz JSKKTOHNOZVADB-QGZVFWFLSA-N 0 0 309.406 2.372 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCc1cccc(OC(C)(C)C)n1 ZINC000185875022 199898485 /nfs/dbraw/zinc/89/84/85/199898485.db2.gz AKJKDEDTJOZLOW-AWEZNQCLSA-N 0 0 306.406 2.245 10 30 DEEERN C=C[C@H](C)NC(=O)N1CCc2c(F)ccc(C(=O)OC)c2C1 ZINC000599004695 359380748 /nfs/dbraw/zinc/38/07/48/359380748.db2.gz NWCYXNAGEZPKLD-JTQLQIEISA-N 0 0 306.337 2.255 10 30 DEEERN C=CC(C)(C)CNC(=O)NCc1ccc(CC(=O)OC)cc1 ZINC000599082051 359398988 /nfs/dbraw/zinc/39/89/88/359398988.db2.gz XBOYXQFQNOFDIZ-UHFFFAOYSA-N 0 0 304.390 2.414 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000599375277 359482560 /nfs/dbraw/zinc/48/25/60/359482560.db2.gz QFSUWSGNGVPUSS-NSHDSACASA-N 0 0 321.358 2.053 10 30 DEEERN C=CCC[C@@H](NC(=O)c1ocnc1C(F)F)C(=O)OCC ZINC000599997001 359631311 /nfs/dbraw/zinc/63/13/11/359631311.db2.gz PWMCPVHAHXZODI-MRVPVSSYSA-N 0 0 302.277 2.240 10 30 DEEERN CCOC(=O)CCN(C(=O)c1ccc(C#N)c(C)n1)C(C)(C)C ZINC000187203077 200077221 /nfs/dbraw/zinc/07/72/21/200077221.db2.gz REBDTYMRTYZBAW-UHFFFAOYSA-N 0 0 317.389 2.456 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)NS(C)(=O)=O ZINC000188058204 200187309 /nfs/dbraw/zinc/18/73/09/200187309.db2.gz YUVGIRWGAAYSHL-GFCCVEGCSA-N 0 0 324.446 2.415 10 30 DEEERN C=CCSCCN1C(=O)N[C@H](Cc2cccc(OC)c2)C1=O ZINC000600690692 359800705 /nfs/dbraw/zinc/80/07/05/359800705.db2.gz FVSXHCIBCFRIMJ-CQSZACIVSA-N 0 0 320.414 2.077 10 30 DEEERN C=CC(C)(C)CCN1C(=O)NC2(CCC(C(=O)OC)CC2)C1=O ZINC000600697660 359802802 /nfs/dbraw/zinc/80/28/02/359802802.db2.gz FMXJRFXPPIHNQL-UHFFFAOYSA-N 0 0 322.405 2.243 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cnn(CC(C)C)c1 ZINC000627687146 366591585 /nfs/dbraw/zinc/59/15/85/366591585.db2.gz VYDBSTKRSGPSMS-UHFFFAOYSA-N 0 0 306.410 2.196 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000627686662 366591988 /nfs/dbraw/zinc/59/19/88/366591988.db2.gz XSISJBOTEWJASV-UHFFFAOYSA-N 0 0 306.410 2.201 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000627688615 366592625 /nfs/dbraw/zinc/59/26/25/366592625.db2.gz NTNGUUKMMFYUCE-UHFFFAOYSA-N 0 0 320.389 2.361 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(C)C)c2C)C1 ZINC000627733902 366603276 /nfs/dbraw/zinc/60/32/76/366603276.db2.gz HAINVPQONAGLQE-CQSZACIVSA-N 0 0 318.421 2.211 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CCCC)c2C)C1 ZINC000627734683 366604941 /nfs/dbraw/zinc/60/49/41/366604941.db2.gz ZOUAVBHRVZCDSK-CQSZACIVSA-N 0 0 318.421 2.355 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCCO3)C1 ZINC000627735542 366604986 /nfs/dbraw/zinc/60/49/86/366604986.db2.gz VRESLGBMWPBWIX-CYBMUJFWSA-N 0 0 314.385 2.375 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccccc2COC)C1 ZINC000627736462 366606673 /nfs/dbraw/zinc/60/66/73/366606673.db2.gz YRZHYIFBWFPGDG-ZDUSSCGKSA-N 0 0 302.374 2.196 10 30 DEEERN C=CCN(CCC#N)C(=O)c1nn(C2CCOCC2)cc1C ZINC000601590226 360080603 /nfs/dbraw/zinc/08/06/03/360080603.db2.gz IVVGWFRJGOUTPW-UHFFFAOYSA-N 0 0 302.378 2.085 10 30 DEEERN C=CC[C@H](CC)NC(=O)NC[C@@]1(C(=O)OCC)CCCOC1 ZINC000601609189 360086290 /nfs/dbraw/zinc/08/62/90/360086290.db2.gz VBBVLFSABKOQNV-BBRMVZONSA-N 0 0 312.410 2.000 10 30 DEEERN C=C(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)OC ZINC000601770184 360140574 /nfs/dbraw/zinc/14/05/74/360140574.db2.gz AYJRYVZHRXAUBS-ZDUSSCGKSA-N 0 0 311.765 2.343 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1[nH]c2c(c1C)C(=O)CCC2)C(=O)OC ZINC000601779146 360144585 /nfs/dbraw/zinc/14/45/85/360144585.db2.gz RQLHMARCGIAKGY-GFCCVEGCSA-N 0 0 318.373 2.080 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cnc(C(C)(C)C)nc1)C(=O)OC ZINC000601782981 360146657 /nfs/dbraw/zinc/14/66/57/360146657.db2.gz SKCUHNILCJGPGL-LBPRGKRZSA-N 0 0 305.378 2.012 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cc1c(C)nn(C(C)C)c1C)C(=O)OC ZINC000601781989 360146679 /nfs/dbraw/zinc/14/66/79/360146679.db2.gz NECQQERYHNUEEA-HNNXBMFYSA-N 0 0 321.421 2.247 10 30 DEEERN C=C(C)C[C@H](NC(=O)COCc1ccc(C)cc1)C(=O)OC ZINC000601784566 360148070 /nfs/dbraw/zinc/14/80/70/360148070.db2.gz KQADGJKBUDDCJN-HNNXBMFYSA-N 0 0 305.374 2.136 10 30 DEEERN C=C(C)C[C@H](NC(=O)C[C@@H]1CCO[C@H](C(C)C)C1)C(=O)OC ZINC000601786206 360149415 /nfs/dbraw/zinc/14/94/15/360149415.db2.gz GHVMBDOZWNSFRF-ILXRZTDVSA-N 0 0 311.422 2.452 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)OC ZINC000601786036 360149775 /nfs/dbraw/zinc/14/97/75/360149775.db2.gz PACCDNFWGLSZLG-CYBMUJFWSA-N 0 0 306.318 2.141 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1CCCc2c(O)cccc21)C(=O)OC ZINC000601786767 360149831 /nfs/dbraw/zinc/14/98/31/360149831.db2.gz IVDGOULHUZPVDN-HUUCEWRRSA-N 0 0 317.385 2.436 10 30 DEEERN C=CCCSCCNC(=O)c1cccc2c1NC(=O)CO2 ZINC000602180501 360302021 /nfs/dbraw/zinc/30/20/21/360302021.db2.gz YURILPMLMZGJAN-UHFFFAOYSA-N 0 0 306.387 2.057 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCC1(CSC)CC1 ZINC000602282262 360329757 /nfs/dbraw/zinc/32/97/57/360329757.db2.gz KVQXUUDCDRVSAD-UHFFFAOYSA-N 0 0 312.479 2.354 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N1CCO[C@](C)(C(=O)OCC)C1 ZINC000602288084 360330536 /nfs/dbraw/zinc/33/05/36/360330536.db2.gz KCQGBJWHUUVSOL-CJNGLKHVSA-N 0 0 312.410 2.095 10 30 DEEERN C=CCOC[C@@H](NC[C@@H]1CCc2ccccc2C1)C(=O)OC ZINC000602642857 360473396 /nfs/dbraw/zinc/47/33/96/360473396.db2.gz AQXVPJYBJJFCLT-RHSMWYFYSA-N 0 0 303.402 2.125 10 30 DEEERN N#CC1CCC(CNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000441143333 238008190 /nfs/dbraw/zinc/00/81/90/238008190.db2.gz HTVIMZLQWLQWOD-WXRRBKDZSA-N 0 0 317.355 2.317 10 30 DEEERN C=C(C)[C@@H](CO)N[C@H](Cc1cccc(Cl)c1)C(=O)OCC ZINC000602937233 360634295 /nfs/dbraw/zinc/63/42/95/360634295.db2.gz IFYMJUIWBRFAQP-HUUCEWRRSA-N 0 0 311.809 2.341 10 30 DEEERN C=CCCOCCCCC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000603097484 360699268 /nfs/dbraw/zinc/69/92/68/360699268.db2.gz ROCFQWIHDJOOCF-IYBDPMFKSA-N 0 0 307.438 2.194 10 30 DEEERN C=CCOCCNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000603104747 360702834 /nfs/dbraw/zinc/70/28/34/360702834.db2.gz SPRCIEVUMAPFKV-LSDHHAIUSA-N 0 0 318.373 2.287 10 30 DEEERN N#Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c[nH]1 ZINC000271993625 209366576 /nfs/dbraw/zinc/36/65/76/209366576.db2.gz MIXFEVQXTJNMMR-IUODEOHRSA-N 0 0 317.295 2.113 10 30 DEEERN C=C(CC)CNC(=O)c1ncc(I)s1 ZINC000603434775 360832043 /nfs/dbraw/zinc/83/20/43/360832043.db2.gz NZPOQUDCKITTGT-UHFFFAOYSA-N 0 0 322.171 2.444 10 30 DEEERN N#Cc1ccc(CNC(=O)N[C@H](CO)C2CCCCC2)c(F)c1 ZINC000609254035 361291656 /nfs/dbraw/zinc/29/16/56/361291656.db2.gz VJISZZROOUOUKF-MRXNPFEDSA-N 0 0 319.380 2.438 10 30 DEEERN COCCC1(NC(=O)NCc2ccc(C#N)cc2F)CCC1 ZINC000619426936 363790523 /nfs/dbraw/zinc/79/05/23/363790523.db2.gz BQIGMXZXYCYTBE-UHFFFAOYSA-N 0 0 305.353 2.456 10 30 DEEERN C=CC(C)(C)CCNC(=O)CCCNC(=O)c1cccnc1 ZINC000628314982 366806568 /nfs/dbraw/zinc/80/65/68/366806568.db2.gz UVQSQKDTDDJYMT-UHFFFAOYSA-N 0 0 303.406 2.310 10 30 DEEERN C=CC(C)(C)CCNC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000628318499 366807372 /nfs/dbraw/zinc/80/73/72/366807372.db2.gz HPCCSAFDFJGABU-OKILXGFUSA-N 0 0 320.433 2.270 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccc3c(c2)C(=O)NCC3)c1 ZINC000610528504 361417239 /nfs/dbraw/zinc/41/72/39/361417239.db2.gz RCZJUYUFLCCKHP-UHFFFAOYSA-N 0 0 305.337 2.025 10 30 DEEERN C=CCCOCC(=O)N1CC[C@@H](C(=O)OC)c2ccccc21 ZINC000611161970 361537653 /nfs/dbraw/zinc/53/76/53/361537653.db2.gz MFOHWMYLEYQMGE-CQSZACIVSA-N 0 0 303.358 2.273 10 30 DEEERN COc1ccc(NC(=O)N2CCC(C)(C#N)CC2)c(OC)n1 ZINC000611556766 361630050 /nfs/dbraw/zinc/63/00/50/361630050.db2.gz DWIBVOJHGLSADZ-UHFFFAOYSA-N 0 0 304.350 2.256 10 30 DEEERN C=CCOCCNC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C ZINC000611561698 361632580 /nfs/dbraw/zinc/63/25/80/361632580.db2.gz UAVDQLPXPQBVHL-UHFFFAOYSA-N 0 0 308.378 2.129 10 30 DEEERN C[S@](=O)c1ccc(CNC(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000611563446 361632600 /nfs/dbraw/zinc/63/26/00/361632600.db2.gz YQPRALTZTUQQIN-QFIPXVFZSA-N 0 0 319.430 2.259 10 30 DEEERN C[C@H](c1ccccc1)[C@@H](CO)NC(=O)Cc1cccc(C#N)c1 ZINC000611508980 361618305 /nfs/dbraw/zinc/61/83/05/361618305.db2.gz WHNGPCHABCUKES-RDTXWAMCSA-N 0 0 308.381 2.382 10 30 DEEERN Cc1occc1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000611540866 361625986 /nfs/dbraw/zinc/62/59/86/361625986.db2.gz ITBHOVIYTVNZOA-MRXNPFEDSA-N 0 0 306.362 2.466 10 30 DEEERN COC(=O)[C@H]1CCCCCN1C(=O)Cc1cccc(C#N)c1 ZINC000611572098 361636905 /nfs/dbraw/zinc/63/69/05/361636905.db2.gz YXMCLZQEOGWEMG-OAHLLOKOSA-N 0 0 300.358 2.045 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CCCO[C@@H]1C(C)C ZINC000612009078 361723744 /nfs/dbraw/zinc/72/37/44/361723744.db2.gz SMQCWDWKCHKBCY-OWCLPIDISA-N 0 0 310.438 2.025 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C#N)cc1F ZINC000619562026 363826200 /nfs/dbraw/zinc/82/62/00/363826200.db2.gz SHHIPOQSZAYWBN-HOCLYGCPSA-N 0 0 317.364 2.478 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(C#N)cc1F ZINC000619562025 363826552 /nfs/dbraw/zinc/82/65/52/363826552.db2.gz SHHIPOQSZAYWBN-GOEBONIOSA-N 0 0 317.364 2.478 10 30 DEEERN COC(=O)[C@H]1CC[C@H](C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000619550693 363824070 /nfs/dbraw/zinc/82/40/70/363824070.db2.gz LTWJUWLRUARZLQ-JOCQHMNTSA-N 0 0 318.348 2.293 10 30 DEEERN C[C@H](C(=O)N1CCC[C@@H]1/C=C/c1ccccc1)n1cnc(C#N)n1 ZINC000619598847 363837673 /nfs/dbraw/zinc/83/76/73/363837673.db2.gz RGRIUSXELKKPKH-UFXRLHEYSA-N 0 0 321.384 2.415 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000620313091 364014032 /nfs/dbraw/zinc/01/40/32/364014032.db2.gz VOAKAGRQFFLKEG-OKILXGFUSA-N 0 0 323.396 2.450 10 30 DEEERN C=CCC1(C(=O)NCC2(O)CCC(F)(F)CC2)CCOCC1 ZINC000620331144 364018758 /nfs/dbraw/zinc/01/87/58/364018758.db2.gz OOUZZKDUADKNPC-UHFFFAOYSA-N 0 0 317.376 2.416 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccn2cc(C)nc2c1 ZINC000620648142 364110512 /nfs/dbraw/zinc/11/05/12/364110512.db2.gz VNKWMKNLJTTYJA-CQSZACIVSA-N 0 0 300.362 2.052 10 30 DEEERN C=CCCC(C)(C)NC(=O)COc1cccc(C(=O)NC)c1 ZINC000620857710 364181109 /nfs/dbraw/zinc/18/11/09/364181109.db2.gz GSIZKTNRPIIXKW-UHFFFAOYSA-N 0 0 304.390 2.286 10 30 DEEERN C[C@H](CNC(=O)c1ccc(C#N)n1C)N1CCc2ccccc21 ZINC000448681927 239518981 /nfs/dbraw/zinc/51/89/81/239518981.db2.gz PPOCASKYBRYHJG-CYBMUJFWSA-N 0 0 308.385 2.078 10 30 DEEERN C=CCCC1(CNC(=O)N[C@@H]2CCN(C(C)=O)C2)CCCC1 ZINC000621468010 364413585 /nfs/dbraw/zinc/41/35/85/364413585.db2.gz RTPYEQIWYWSQSE-OAHLLOKOSA-N 0 0 307.438 2.433 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000628402203 366842371 /nfs/dbraw/zinc/84/23/71/366842371.db2.gz IUEQGYDBWAGWRU-LOWVWBTDSA-N 0 0 302.365 2.207 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C2CCN(Cc3nccn3C)CC2)C1 ZINC000628485250 366864191 /nfs/dbraw/zinc/86/41/91/366864191.db2.gz FWPBRLJTHSLKLU-HNNXBMFYSA-N 0 0 316.449 2.057 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)C1 ZINC000628487398 366865238 /nfs/dbraw/zinc/86/52/38/366865238.db2.gz DVFVBYMCYYQIPK-CVEARBPZSA-N 0 0 321.465 2.489 10 30 DEEERN C=CCCn1cc(CS(=O)(=O)C[C@@H]2CC[C@@H]3C[C@@H]3C2)nn1 ZINC000621995843 364625966 /nfs/dbraw/zinc/62/59/66/364625966.db2.gz IXOPDPPBTFZSPL-MCIONIFRSA-N 0 0 309.435 2.205 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCCN(C)c2ccccc21 ZINC000622809666 364801173 /nfs/dbraw/zinc/80/11/73/364801173.db2.gz PHYSCIRHQUFVSR-HNNXBMFYSA-N 0 0 315.417 2.330 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000623003835 364853304 /nfs/dbraw/zinc/85/33/04/364853304.db2.gz XGLJGOHANDOFRU-WFASDCNBSA-N 0 0 307.415 2.375 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2nnc3n2CCCCC3)C1 ZINC000623399525 365015134 /nfs/dbraw/zinc/01/51/34/365015134.db2.gz POQXMKLFMFWWDT-ZDUSSCGKSA-N 0 0 303.410 2.112 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2ccc(OCCOC)nc2)C1 ZINC000623428931 365028214 /nfs/dbraw/zinc/02/82/14/365028214.db2.gz FPMBSFBHQWTTNM-CQSZACIVSA-N 0 0 319.405 2.214 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCC2(C(=O)N(C)C)CCCC2)C1 ZINC000623611035 365099494 /nfs/dbraw/zinc/09/94/94/365099494.db2.gz SNODRAXAYFORQS-CQSZACIVSA-N 0 0 307.438 2.243 10 30 DEEERN C=C[C@@H](C)NC(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000623747268 365160280 /nfs/dbraw/zinc/16/02/80/365160280.db2.gz UXBZNMMNXDDEJT-IUODEOHRSA-N 0 0 323.824 2.419 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC000623855748 365199916 /nfs/dbraw/zinc/19/99/16/365199916.db2.gz HBXMMQNGQXBOHG-UHTWSYAYSA-N 0 0 308.382 2.252 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCCc2cn3c(n2)SCC3)C1 ZINC000623896321 365213439 /nfs/dbraw/zinc/21/34/39/365213439.db2.gz NTVICPYOTHTEMJ-GFCCVEGCSA-N 0 0 306.435 2.139 10 30 DEEERN C=CCn1cc(CNC(=O)NCC(C2CCC2)C2CCC2)nn1 ZINC000624242586 365348719 /nfs/dbraw/zinc/34/87/19/365348719.db2.gz RRMMTWFSQDYLKB-UHFFFAOYSA-N 0 0 317.437 2.480 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000624306899 365375689 /nfs/dbraw/zinc/37/56/89/365375689.db2.gz STEAMOCSYFXPGP-JONQDZQNSA-N 0 0 309.454 2.092 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C ZINC000624463713 365429628 /nfs/dbraw/zinc/42/96/28/365429628.db2.gz UTZRISHCIXRBGG-OLZOCXBDSA-N 0 0 300.443 2.046 10 30 DEEERN C=CCN(C(=O)c1ccc(C(F)F)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000624489890 365441707 /nfs/dbraw/zinc/44/17/07/365441707.db2.gz GHIVXVCPAFLZFS-SECBINFHSA-N 0 0 319.329 2.033 10 30 DEEERN C[C@H]1CCCN(C(=O)NCc2ccc(C#CCCO)s2)C1 ZINC000091992378 193138683 /nfs/dbraw/zinc/13/86/83/193138683.db2.gz PKVRAJNLTYMYJY-ZDUSSCGKSA-N 0 0 306.431 2.424 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CCC(=O)CC(C)(C)C1 ZINC000628684866 366927896 /nfs/dbraw/zinc/92/78/96/366927896.db2.gz FYZRHYAGDBRTFM-UHFFFAOYSA-N 0 0 302.374 2.478 10 30 DEEERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)n2C)C12CCC2 ZINC000450138468 241475481 /nfs/dbraw/zinc/47/54/81/241475481.db2.gz AUCVVTQWFSHYSG-HUUCEWRRSA-N 0 0 301.390 2.316 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCO[C@](C)(COC)C2)cc1 ZINC000629907699 367371642 /nfs/dbraw/zinc/37/16/42/367371642.db2.gz POKDPLPLOBTKJY-KRWDZBQOSA-N 0 0 305.374 2.129 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2nc3c(s2)CSCC3)C1=O ZINC000630516000 367700870 /nfs/dbraw/zinc/70/08/70/367700870.db2.gz KHEOAVJJHFJXNB-VIFPVBQESA-N 0 0 309.416 2.323 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cccc(-c3n[nH]c(C)n3)c2)C1=O ZINC000630506215 367694851 /nfs/dbraw/zinc/69/48/51/367694851.db2.gz WHFBRFRGVQZKMC-ZDUSSCGKSA-N 0 0 311.345 2.171 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2ccc(O[C@@H]3CCOC3)cc2)C1=O ZINC000630505301 367695033 /nfs/dbraw/zinc/69/50/33/367695033.db2.gz GFRPYQWQXHVTNT-HUUCEWRRSA-N 0 0 316.357 2.245 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2ccc(N3CCCCC3)nc2)C1=O ZINC000630510090 367697493 /nfs/dbraw/zinc/69/74/93/367697493.db2.gz FAPZQBWRRWHNCN-CQSZACIVSA-N 0 0 314.389 2.463 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2ccc(N3CCCC3)nc2)C1=O ZINC000630512688 367698973 /nfs/dbraw/zinc/69/89/73/367698973.db2.gz SJNOQRJWQRMWLD-CYBMUJFWSA-N 0 0 300.362 2.073 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccc(N3CCCC3)nc2)C1=O ZINC000630966652 367940316 /nfs/dbraw/zinc/94/03/16/367940316.db2.gz HULWQHVXIBLEPE-CQSZACIVSA-N 0 0 314.389 2.068 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H]2CCN(c3ccccc3)C2)C1=O ZINC000630967751 367941719 /nfs/dbraw/zinc/94/17/19/367941719.db2.gz NOKRVCLLBSBJOX-HOCLYGCPSA-N 0 0 313.401 2.400 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2csc([C@H](C)OC)n2)C1=O ZINC000630977239 367947991 /nfs/dbraw/zinc/94/79/91/367947991.db2.gz HFAKKELLXWAOJU-ONGXEEELSA-N 0 0 309.391 2.237 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2CCO[C@H](c3ccncc3)C2)C1=O ZINC000630983773 367949388 /nfs/dbraw/zinc/94/93/88/367949388.db2.gz SHSLVCFNKMDDNT-ILXRZTDVSA-N 0 0 315.373 2.188 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H](CC)COCC(F)(F)F)C1=O ZINC000630986008 367951756 /nfs/dbraw/zinc/95/17/56/367951756.db2.gz XOZDHYRZPWRWSO-NXEZZACHSA-N 0 0 308.300 2.231 10 30 DEEERN CC(=O)c1cccc(C#N)c1OCCn1c(C)csc1=O ZINC000631028023 367975881 /nfs/dbraw/zinc/97/58/81/367975881.db2.gz IQEFOMPJNABPNC-UHFFFAOYSA-N 0 0 302.355 2.372 10 30 DEEERN C=C1CC(C)(C(=O)N[C@H]2CCCN(c3cc(CC)ncn3)C2)C1 ZINC000631264435 368110328 /nfs/dbraw/zinc/11/03/28/368110328.db2.gz JVTVKHZWRPCMRF-HNNXBMFYSA-N 0 0 314.433 2.480 10 30 DEEERN C=C1CC(C)(C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)C1 ZINC000631794939 368392285 /nfs/dbraw/zinc/39/22/85/368392285.db2.gz BKBBSSONOSKYKG-UHFFFAOYSA-N 0 0 314.385 2.033 10 30 DEEERN CN[C@]1(C#N)CCC[C@H](Sc2nnnn2C2CCCC2)C1 ZINC000093746910 193299356 /nfs/dbraw/zinc/29/93/56/193299356.db2.gz OJOGANPUTPTSFY-GXTWGEPZSA-N 0 0 306.439 2.305 10 30 DEEERN N#C[C@]1(NC2CC2)CC[C@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093806748 193309222 /nfs/dbraw/zinc/30/92/22/193309222.db2.gz QMVURXTYBXIPEQ-HZMBPMFUSA-N 0 0 300.391 2.012 10 30 DEEERN CCCN[C@]1(C#N)CC[C@@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093807035 193309429 /nfs/dbraw/zinc/30/94/29/193309429.db2.gz WSCOOJRPPPKGKH-BXUZGUMPSA-N 0 0 309.439 2.059 10 30 DEEERN COC(=O)c1sccc1NC(=O)c1csc(C#CCO)c1 ZINC000093973997 193332773 /nfs/dbraw/zinc/33/27/73/193332773.db2.gz MGZJCNUFJDSLLQ-UHFFFAOYSA-N 0 0 321.379 2.192 10 30 DEEERN N#Cc1cnc(C(N)=O)c(NCc2cccc(C(F)(F)F)c2)n1 ZINC000095595060 193447436 /nfs/dbraw/zinc/44/74/36/193447436.db2.gz KPFWOTAQGOOUEX-UHFFFAOYSA-N 0 0 321.262 2.078 10 30 DEEERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C#Cc1ccccc1 ZINC000176054707 284187972 /nfs/dbraw/zinc/18/79/72/284187972.db2.gz HEYXQDAUXTXDGE-IKGGRYGDSA-N 0 0 311.381 2.371 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(F)ccc1C#N ZINC000191215351 284207902 /nfs/dbraw/zinc/20/79/02/284207902.db2.gz UIFJIDNBZXUCPI-WQVCFCJDSA-N 0 0 302.349 2.471 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CC#Cc1ccc(F)cc1 ZINC000191223718 284214735 /nfs/dbraw/zinc/21/47/35/284214735.db2.gz VRNSHEBEUVBSQH-PVAVHDDUSA-N 0 0 301.361 2.451 10 30 DEEERN C#CCOc1cccc(NC(=O)C(=O)NCCC2CCCC2)c1 ZINC000264571055 204003022 /nfs/dbraw/zinc/00/30/22/204003022.db2.gz VDCLXHICSQEKBR-UHFFFAOYSA-N 0 0 314.385 2.334 10 30 DEEERN C=CCCCCNC(=O)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000274661975 211806004 /nfs/dbraw/zinc/80/60/04/211806004.db2.gz VSUCNAGDNUOBLM-UHFFFAOYSA-N 0 0 309.431 2.495 10 30 DEEERN N#Cc1ccc(CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000160875410 197445724 /nfs/dbraw/zinc/44/57/24/197445724.db2.gz SKHFWDBOTOPLNT-FUHWJXTLSA-N 0 0 313.401 2.395 10 30 DEEERN CN(CCC#N)CC(=O)Nc1ccc(N)c(C(F)(F)F)c1 ZINC000019833242 182154926 /nfs/dbraw/zinc/15/49/26/182154926.db2.gz PLXDDLMDALGLLR-UHFFFAOYSA-N 0 0 300.284 2.072 10 30 DEEERN C[C@@H](OS(C)(=O)=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095089562 296207708 /nfs/dbraw/zinc/20/77/08/296207708.db2.gz GJNHGTRDRKWTBE-GHMZBOCLSA-N 0 0 307.412 2.141 10 30 DEEERN C=CCC[C@H](NC(=O)c1c(CC)ncnc1CC)C(=O)OCC ZINC000456608184 247309055 /nfs/dbraw/zinc/30/90/55/247309055.db2.gz NEFFLRIQFSLZKN-AWEZNQCLSA-N 0 0 319.405 2.229 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457797552 248019660 /nfs/dbraw/zinc/01/96/60/248019660.db2.gz WEPZYFDFQGDMAD-CJNGLKHVSA-N 0 0 317.385 2.493 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)N[C@@H](C)Cc1cccc(OC)c1 ZINC000458397777 248290535 /nfs/dbraw/zinc/29/05/35/248290535.db2.gz XOTWWDBOHQDJAC-ZFWWWQNUSA-N 0 0 306.406 2.253 10 30 DEEERN C=CCC1(CNC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)CCCC1 ZINC000458424289 248302292 /nfs/dbraw/zinc/30/22/92/248302292.db2.gz RWCJISZBSRFQJW-KGLIPLIRSA-N 0 0 307.438 2.466 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000462480008 248694859 /nfs/dbraw/zinc/69/48/59/248694859.db2.gz OGGKJZZTTBINEU-OIISXLGYSA-N 0 0 318.417 2.391 10 30 DEEERN O=C(NC[C@H](O)C(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000487948780 248777783 /nfs/dbraw/zinc/77/77/83/248777783.db2.gz MLYQGONHIZTRFD-QMMMGPOBSA-N 0 0 319.176 2.498 10 30 DEEERN C=CCN(C)C(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1 ZINC000489268099 248828163 /nfs/dbraw/zinc/82/81/63/248828163.db2.gz UGQUGGOQXVCGNR-UHFFFAOYSA-N 0 0 317.389 2.117 10 30 DEEERN C=C(C)C(=O)NCc1nc2ccccc2n1CC(=O)OC(C)C ZINC000040194319 183044742 /nfs/dbraw/zinc/04/47/42/183044742.db2.gz WRXFRVBFXOHKNL-UHFFFAOYSA-N 0 0 315.373 2.180 10 30 DEEERN CCOC1CCN(C(=O)c2ccc(C#CCCO)s2)CC1 ZINC000040690505 183118537 /nfs/dbraw/zinc/11/85/37/183118537.db2.gz LOSUOWYNXHPZKC-UHFFFAOYSA-N 0 0 307.415 2.123 10 30 DEEERN N#C[C@@H](c1cccs1)N1CCN(C(=O)c2cccnc2)CC1 ZINC000041257375 183181558 /nfs/dbraw/zinc/18/15/58/183181558.db2.gz RHZBITAKBYMEBG-AWEZNQCLSA-N 0 0 312.398 2.166 10 30 DEEERN CCN(C[C@@H](C)/C(N)=N/O)c1ncccc1Br ZINC000042445409 183271643 /nfs/dbraw/zinc/27/16/43/183271643.db2.gz CKNCCBNHPTXWRC-MRVPVSSYSA-N 0 0 301.188 2.053 10 30 DEEERN CN(Cc1cscn1)C(=O)c1ccccc1C#CCCO ZINC000042871257 183316114 /nfs/dbraw/zinc/31/61/14/183316114.db2.gz YODOTUARVXMAHP-UHFFFAOYSA-N 0 0 300.383 2.149 10 30 DEEERN N#Cc1cc2c(nc1-n1cc(Br)c(N)n1)CCCC2 ZINC000043410017 183360056 /nfs/dbraw/zinc/36/00/56/183360056.db2.gz YGLPVIMTALYABB-UHFFFAOYSA-N 0 0 318.178 2.362 10 30 DEEERN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1S(=O)(=O)CCCC#N ZINC000159454798 197355318 /nfs/dbraw/zinc/35/53/18/197355318.db2.gz CXNLRRZLCMARSJ-YCPHGPKFSA-N 0 0 322.430 2.470 10 30 DEEERN C=CCCO[C@@H](C)c1nc(-c2ccnc(S(C)(=O)=O)c2)no1 ZINC000273789386 211060932 /nfs/dbraw/zinc/06/09/32/211060932.db2.gz GYOQZVXLQQLOBN-JTQLQIEISA-N 0 0 323.374 2.189 10 30 DEEERN Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)CCCCC#N ZINC000109343549 194257984 /nfs/dbraw/zinc/25/79/84/194257984.db2.gz GEMUNKCFVQNKFV-CQSZACIVSA-N 0 0 324.450 2.198 10 30 DEEERN COc1cc(Cl)ccc1C(=O)N1CCN([C@@H](C)C#N)CC1 ZINC000109445759 194264182 /nfs/dbraw/zinc/26/41/82/194264182.db2.gz BYDMIYNTZLHLAW-NSHDSACASA-N 0 0 307.781 2.018 10 30 DEEERN CC[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C)CC(=O)[O-] ZINC000061182974 184165315 /nfs/dbraw/zinc/16/53/15/184165315.db2.gz BBQPARGNRZGIFL-JTQLQIEISA-N 0 0 309.391 2.133 10 30 DEEERN CN(c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1N ZINC000061979864 184200077 /nfs/dbraw/zinc/20/00/77/184200077.db2.gz SGLCWWMRJOPLEX-UHFFFAOYSA-N 0 0 301.371 2.312 10 30 DEEERN COC(=O)[C@H](CNC(=O)Cc1cccc(C#N)c1)CC(C)C ZINC000531391887 269712846 /nfs/dbraw/zinc/71/28/46/269712846.db2.gz YTRJFIMQMIGXMR-HNNXBMFYSA-N 0 0 302.374 2.052 10 30 DEEERN COc1ccc(-n2ccc(C(=O)NC3(C#N)CCCC3)n2)cc1 ZINC000065640344 184375873 /nfs/dbraw/zinc/37/58/73/184375873.db2.gz PMCSOXUVDJEJCJ-UHFFFAOYSA-N 0 0 310.357 2.447 10 30 DEEERN C[C@H](C(=O)NCc1cccc(Cl)c1Cl)n1cnc(C#N)n1 ZINC000537414259 284992961 /nfs/dbraw/zinc/99/29/61/284992961.db2.gz HPJOWVBTRUAOPJ-MRVPVSSYSA-N 0 0 324.171 2.334 10 30 DEEERN C[C@H](C(=O)N(C)[C@@H]1CCCc2ccccc21)n1cnc(C#N)n1 ZINC000539504740 285078912 /nfs/dbraw/zinc/07/89/12/285078912.db2.gz PWJKBXJGJHQWHE-IUODEOHRSA-N 0 0 309.373 2.247 10 30 DEEERN C[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)c1ccc2c(c1)OCO2 ZINC000329851170 404471010 /nfs/dbraw/zinc/47/10/10/404471010.db2.gz QNSNNHORZOIFTE-RKOGSIPDSA-N 0 0 319.357 2.484 10 30 DEEERN C#C[C@@H](C)Nc1c(Br)cnn(CC2CCC2)c1=O ZINC000158997311 197318377 /nfs/dbraw/zinc/31/83/77/197318377.db2.gz SPONBHXAEBTJKH-SECBINFHSA-N 0 0 310.195 2.240 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(C#N)ccc3F)[C@@H]2C1 ZINC000158358841 197265198 /nfs/dbraw/zinc/26/51/98/197265198.db2.gz HULHNEDTHJHAJB-OIISXLGYSA-N 0 0 304.365 2.466 10 30 DEEERN C#C[C@H](NN)c1cc(Br)ccc1Br ZINC000158106612 197244288 /nfs/dbraw/zinc/24/42/88/197244288.db2.gz UKAWLGMRPANADW-VIFPVBQESA-N 0 0 303.985 2.349 10 30 DEEERN N#C[C@]1(Cc2c(Cl)cccc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000157579084 197198659 /nfs/dbraw/zinc/19/86/59/197198659.db2.gz RERKSKZJFMSQRX-GFCCVEGCSA-N 0 0 314.750 2.119 10 30 DEEERN N#C[C@@]1([C@@H](O)c2ccccc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000157643372 197204939 /nfs/dbraw/zinc/20/49/39/197204939.db2.gz XWBMDVKLSHMJOY-RYUDHWBXSA-N 0 0 319.304 2.067 10 30 DEEERN C[C@H]1CC(=O)CC[C@H]1C(=O)NCCOc1ccc(C#N)cc1 ZINC000120311241 195141423 /nfs/dbraw/zinc/14/14/23/195141423.db2.gz UJXDUBMWHJTPIB-BLLLJJGKSA-N 0 0 300.358 2.059 10 30 DEEERN CC[C@@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CCS1 ZINC000156804768 197141925 /nfs/dbraw/zinc/14/19/25/197141925.db2.gz GNHDPWFPILNOPC-CQSZACIVSA-N 0 0 324.471 2.159 10 30 DEEERN Cc1ccc(C#CCCO)cc1C(=O)NC[C@@H]1CCCS1 ZINC000155930929 197076116 /nfs/dbraw/zinc/07/61/16/197076116.db2.gz VIQANZDQTFYWKR-HNNXBMFYSA-N 0 0 303.427 2.354 10 30 DEEERN N#Cc1ccc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)o1 ZINC000120546066 195188130 /nfs/dbraw/zinc/18/81/30/195188130.db2.gz GFTMMCMTFCUWIY-GOSISDBHSA-N 0 0 311.385 2.002 10 30 DEEERN CCN(CCC#N)C(=O)CN[C@@H](C)c1cc(OC)ccc1OC ZINC000120609007 195201014 /nfs/dbraw/zinc/20/10/14/195201014.db2.gz GZWVTWILTKWVAK-ZDUSSCGKSA-N 0 0 319.405 2.117 10 30 DEEERN C=CCO[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)Cc1cccs1 ZINC000253377462 257106510 /nfs/dbraw/zinc/10/65/10/257106510.db2.gz XDSVNLUATLTSFL-IIAWOOMASA-N 0 0 307.415 2.252 10 30 DEEERN CCOC(=O)N1CCC(NC(=O)Nc2ccccc2C#N)CC1 ZINC000071827345 184857867 /nfs/dbraw/zinc/85/78/67/184857867.db2.gz XRIPLRYEQJRFBW-UHFFFAOYSA-N 0 0 316.361 2.301 10 30 DEEERN COc1cc(C(=O)NC2(C#N)CCCC2)c([N+](=O)[O-])cc1OC ZINC000121961724 195382721 /nfs/dbraw/zinc/38/27/21/195382721.db2.gz VSLZDGYLNMARCQ-UHFFFAOYSA-N 0 0 319.317 2.178 10 30 DEEERN Cn1ncc(CNc2cc(Br)ccc2C#N)c1N ZINC000124575418 195656382 /nfs/dbraw/zinc/65/63/82/195656382.db2.gz CZLUKUMHNLENRG-UHFFFAOYSA-N 0 0 306.167 2.249 10 30 DEEERN CO[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000441435675 533406650 /nfs/dbraw/zinc/40/66/50/533406650.db2.gz MVNAENHNOKANTC-XNJGSVPQSA-N 0 0 324.421 2.274 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000173527621 533598413 /nfs/dbraw/zinc/59/84/13/533598413.db2.gz LMRSXJNOJRKXLK-MRVWCRGKSA-N 0 0 300.358 2.322 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N[C@H]2COc3ccccc32)s1 ZINC000230340848 132552941 /nfs/dbraw/zinc/55/29/41/132552941.db2.gz ZILYZRXZIFDVKT-NSHDSACASA-N 0 0 306.368 2.032 10 30 DEEERN N#Cc1ccnc(NCc2nnc3n2C[C@H](C(F)(F)F)CC3)c1 ZINC000376394067 133292894 /nfs/dbraw/zinc/29/28/94/133292894.db2.gz HDMQBHRSGFIXAA-SNVBAGLBSA-N 0 0 322.294 2.282 10 30 DEEERN Cc1ccc(C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)cc1C#N ZINC000373007419 133373977 /nfs/dbraw/zinc/37/39/77/133373977.db2.gz URYJXJIQXBHKNE-GOSISDBHSA-N 0 0 314.385 2.277 10 30 DEEERN N#Cc1cccc(NC(=O)CN2CCC(Cn3cccn3)CC2)c1 ZINC000105886258 144624536 /nfs/dbraw/zinc/62/45/36/144624536.db2.gz GXVQOPWSWGRTGS-UHFFFAOYSA-N 0 0 323.400 2.105 10 30 DEEERN CC(=O)c1cnc(NC(=O)COc2ccc(C#N)cc2)s1 ZINC000118631305 144656204 /nfs/dbraw/zinc/65/62/04/144656204.db2.gz PFVHIBLPXOTSHQ-UHFFFAOYSA-N 0 0 301.327 2.235 10 30 DEEERN Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000130604055 144755075 /nfs/dbraw/zinc/75/50/75/144755075.db2.gz OSYRKWRFDVDOQS-NSHDSACASA-N 0 0 324.384 2.292 10 30 DEEERN N#Cc1ccccc1OCC(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000171297221 144808651 /nfs/dbraw/zinc/80/86/51/144808651.db2.gz ARZPXGQARGSMKO-UHFFFAOYSA-N 0 0 319.324 2.361 10 30 DEEERN CSC[C@H](C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183676387 144932624 /nfs/dbraw/zinc/93/26/24/144932624.db2.gz DSPKCIBWQZDLGN-JTQLQIEISA-N 0 0 301.375 2.077 10 30 DEEERN C[C@@H](CC1CC1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184640977 144947192 /nfs/dbraw/zinc/94/71/92/144947192.db2.gz CNBJSJOJHNUFQU-NSHDSACASA-N 0 0 310.361 2.449 10 30 DEEERN COC(=O)c1coc(C(=O)NCc2cc(C#N)ccc2F)c1 ZINC000185018849 144953747 /nfs/dbraw/zinc/95/37/47/144953747.db2.gz GORIPMWRGONBHV-UHFFFAOYSA-N 0 0 302.261 2.007 10 30 DEEERN N#Cc1cc(C(=O)NCc2ncc(-c3ccccc3)cn2)c[nH]1 ZINC000185908253 144971199 /nfs/dbraw/zinc/97/11/99/144971199.db2.gz JIRKDUQLYGJACC-UHFFFAOYSA-N 0 0 303.325 2.273 10 30 DEEERN Cc1noc([C@H]2COCCN2Cc2ccc(Cl)cc2C#N)n1 ZINC000187468639 144999506 /nfs/dbraw/zinc/99/95/06/144999506.db2.gz ZTGDFBMAFJVLSK-CQSZACIVSA-N 0 0 318.764 2.477 10 30 DEEERN C[C@@]1(c2cccnc2)NC(=O)N(Cc2ccc(C#N)c(F)c2)C1=O ZINC000188062524 145006146 /nfs/dbraw/zinc/00/61/46/145006146.db2.gz JGXNVAJJVGLPRP-KRWDZBQOSA-N 0 0 324.315 2.060 10 30 DEEERN N#Cc1cccc(C(=O)Nc2cn(Cc3ccccc3)nn2)c1 ZINC000188252017 145009330 /nfs/dbraw/zinc/00/93/30/145009330.db2.gz DFZBZAQOQOCTRN-UHFFFAOYSA-N 0 0 303.325 2.450 10 30 DEEERN N#Cc1ccc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cc1F ZINC000191441200 145058224 /nfs/dbraw/zinc/05/82/24/145058224.db2.gz RIYBTTFQXJEWKU-UHFFFAOYSA-N 0 0 324.271 2.364 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(C#N)cc3F)[C@H]2C1 ZINC000246231520 145095829 /nfs/dbraw/zinc/09/58/29/145095829.db2.gz FWEKILCKULOANW-HYVNUMGLSA-N 0 0 304.365 2.466 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000246902996 145118682 /nfs/dbraw/zinc/11/86/82/145118682.db2.gz DZPJMGPGMWAPBE-CRNXPOROSA-N 0 0 314.385 2.399 10 30 DEEERN COc1ccc(C2=NO[C@@H](CNc3ccncc3C#N)C2)cc1C ZINC000370668022 148042444 /nfs/dbraw/zinc/04/24/44/148042444.db2.gz RZSQLVHHRXARFD-OAHLLOKOSA-N 0 0 322.368 2.297 10 30 DEEERN COc1ccc(OC)c2c1CN(c1ccncc1C#N)C[C@@H]2O ZINC000375096104 148331329 /nfs/dbraw/zinc/33/13/29/148331329.db2.gz BFEVLCNCPWTEDQ-AWEZNQCLSA-N 0 0 311.341 2.024 10 30 DEEERN CCOCCOCC(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000110842646 401694745 /nfs/dbraw/zinc/69/47/45/401694745.db2.gz RZZCJZIYKLTQNC-QGZVFWFLSA-N 0 0 304.390 2.071 10 30 DEEERN CC#CCNC(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC000126482402 401696094 /nfs/dbraw/zinc/69/60/94/401696094.db2.gz BTENCFJUCCNKMV-UHFFFAOYSA-N 0 0 310.382 2.299 10 30 DEEERN C=CCCCN(C)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000076952325 401801741 /nfs/dbraw/zinc/80/17/41/401801741.db2.gz FOZWMIZYJMQURN-AWEZNQCLSA-N 0 0 303.410 2.053 10 30 DEEERN N#Cc1ccc(NC(=O)CN2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114482223 401801898 /nfs/dbraw/zinc/80/18/98/401801898.db2.gz KJTYBTGFEHFNTC-MRXNPFEDSA-N 0 0 309.373 2.447 10 30 DEEERN CN(CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccco1 ZINC000128176757 401765796 /nfs/dbraw/zinc/76/57/96/401765796.db2.gz QEVSYUTXYSQTOK-UHFFFAOYSA-N 0 0 304.371 2.057 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N(C)Cc1nc(-c2cccnc2)no1 ZINC000114129998 401792834 /nfs/dbraw/zinc/79/28/34/401792834.db2.gz WZVFXAYCOKCSHI-LBPRGKRZSA-N 0 0 316.361 2.071 10 30 DEEERN C[C@H](C(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1cccnc1 ZINC000130437249 401832084 /nfs/dbraw/zinc/83/20/84/401832084.db2.gz IFPREMJKKNIXRC-ZDUSSCGKSA-N 0 0 307.353 2.347 10 30 DEEERN CC(C)(C)n1cc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cn1 ZINC000130616688 401836009 /nfs/dbraw/zinc/83/60/09/401836009.db2.gz OPYSYSMZROUQMP-UHFFFAOYSA-N 0 0 324.384 2.413 10 30 DEEERN CC[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1nccs1 ZINC000078004530 401838002 /nfs/dbraw/zinc/83/80/02/401838002.db2.gz SNFYFOVPNZOHHD-GFCCVEGCSA-N 0 0 307.400 2.444 10 30 DEEERN COc1ccccc1CC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000130717731 401838063 /nfs/dbraw/zinc/83/80/63/401838063.db2.gz RLAICOQUDOEHQX-UHFFFAOYSA-N 0 0 322.364 2.399 10 30 DEEERN Cc1nnc(NC2CCN(C(=O)C(C)C)CC2)c(C#N)c1C ZINC000026716492 401841494 /nfs/dbraw/zinc/84/14/94/401841494.db2.gz VFNMKEFLIUGIDL-UHFFFAOYSA-N 0 0 301.394 2.024 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NCC[C@H]2CCCO2)cc1Cl ZINC000078296719 401846596 /nfs/dbraw/zinc/84/65/96/401846596.db2.gz AQJWQOUXBSWING-LLVKDONJSA-N 0 0 314.794 2.059 10 30 DEEERN Cn1cccc1[C@@H]1COCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000131787776 401856667 /nfs/dbraw/zinc/85/66/67/401856667.db2.gz WDHQURCONOBYKI-ROUUACIJSA-N 0 0 311.385 2.004 10 30 DEEERN C=CC[C@@H](C)NC(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000116936786 401864637 /nfs/dbraw/zinc/86/46/37/401864637.db2.gz HWAGVFTZYNWLJO-OAHLLOKOSA-N 0 0 317.433 2.283 10 30 DEEERN C=CCNC(=O)NC(=O)[C@H](C)N1CC=C(c2cccs2)CC1 ZINC000117893214 401886990 /nfs/dbraw/zinc/88/69/90/401886990.db2.gz XRDCMCKWBAXQNS-LBPRGKRZSA-N 0 0 319.430 2.238 10 30 DEEERN Cc1nc(C2CCCC2)sc1C(=O)N1CCO[C@H](C#N)C1 ZINC000080081018 401888257 /nfs/dbraw/zinc/88/82/57/401888257.db2.gz ZJKOHYNOKHQBJP-GFCCVEGCSA-N 0 0 305.403 2.474 10 30 DEEERN C=CCOCCCC(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000080294355 401889087 /nfs/dbraw/zinc/88/90/87/401889087.db2.gz IDNVTYTYXNLMEG-INIZCTEOSA-N 0 0 316.401 2.281 10 30 DEEERN C=C[C@H](CC(=O)NC[C@H]1CN(C2CC2)CCO1)c1ccccc1 ZINC000134813136 401915439 /nfs/dbraw/zinc/91/54/39/401915439.db2.gz ULJJGBUYGMDPKB-QAPCUYQASA-N 0 0 314.429 2.326 10 30 DEEERN CC#CCNC(=O)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000135934337 401955840 /nfs/dbraw/zinc/95/58/40/401955840.db2.gz KYRIJUQGJRJTGQ-UHFFFAOYSA-N 0 0 305.447 2.161 10 30 DEEERN C=CCNC(=O)c1ccccc1NCc1nsc(N(C)C)n1 ZINC000089658256 401956382 /nfs/dbraw/zinc/95/63/82/401956382.db2.gz NXCIMFKDYKZYQF-UHFFFAOYSA-N 0 0 317.418 2.132 10 30 DEEERN CCOC(=O)CC[C@@H](C)NC(=O)CSc1ccc(C#N)cc1 ZINC000089803794 401964664 /nfs/dbraw/zinc/96/46/64/401964664.db2.gz VZJGWNLQFGWBRB-GFCCVEGCSA-N 0 0 320.414 2.498 10 30 DEEERN CSCCCC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000119767933 401966219 /nfs/dbraw/zinc/96/62/19/401966219.db2.gz KIQYQHYCJHAZES-UHFFFAOYSA-N 0 0 303.431 2.350 10 30 DEEERN N#Cc1ccc(NC(=O)NC[C@]2(CCO)CCOC2)cc1Cl ZINC000136940345 401976470 /nfs/dbraw/zinc/97/64/70/401976470.db2.gz UVAOBGIWCFKMEV-HNNXBMFYSA-N 0 0 323.780 2.122 10 30 DEEERN CCOc1ccnc(N2CC[NH+](CC(C)(C)CCC#N)CC2)n1 ZINC000121522052 402041345 /nfs/dbraw/zinc/04/13/45/402041345.db2.gz HYRMCLYEGJTFCK-UHFFFAOYSA-N 0 0 317.437 2.327 10 30 DEEERN C=C[C@H](CC(=O)NCCCN1CCCC1=O)c1ccccc1 ZINC000121670763 402048170 /nfs/dbraw/zinc/04/81/70/402048170.db2.gz CULMOFOAJBTABE-OAHLLOKOSA-N 0 0 300.402 2.475 10 30 DEEERN C=CCC(CC=C)C(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000150997479 402010138 /nfs/dbraw/zinc/01/01/38/402010138.db2.gz CCAUSCCEHUEMGX-ZDUSSCGKSA-N 0 0 304.394 2.035 10 30 DEEERN CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccnn1C ZINC000054539075 402069286 /nfs/dbraw/zinc/06/92/86/402069286.db2.gz KYVIUASWJWXDAT-UHFFFAOYSA-N 0 0 313.361 2.401 10 30 DEEERN C=CCCCN(C)C(=O)NC1CCN(c2ncccn2)CC1 ZINC000152116859 402076350 /nfs/dbraw/zinc/07/63/50/402076350.db2.gz HMYDKCARUVKKMC-UHFFFAOYSA-N 0 0 303.410 2.053 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCOCC12CCC2 ZINC000152214495 402082722 /nfs/dbraw/zinc/08/27/22/402082722.db2.gz TWBCXROUERWOJC-CYBMUJFWSA-N 0 0 300.358 2.107 10 30 DEEERN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC(CO)C1 ZINC000122646421 402088864 /nfs/dbraw/zinc/08/88/64/402088864.db2.gz POEPPNNSRSMCSE-UHFFFAOYSA-N 0 0 315.291 2.335 10 30 DEEERN CN(C)C(=O)Nc1ccc(C(=O)N[C@@H](C#N)C2CC2)c(Cl)c1 ZINC000122864104 402099011 /nfs/dbraw/zinc/09/90/11/402099011.db2.gz SURJIXLYUCRJMT-ZDUSSCGKSA-N 0 0 320.780 2.465 10 30 DEEERN Cc1ncc(CNC(=O)[C@@H](C)Oc2ccccc2C#N)s1 ZINC000097726958 402131135 /nfs/dbraw/zinc/13/11/35/402131135.db2.gz XGOANEAXZXYWJD-SNVBAGLBSA-N 0 0 301.371 2.407 10 30 DEEERN COc1ccc(CN2C(=O)C[C@](C)(C(C)C)C2=O)cc1C#N ZINC000153344230 402140477 /nfs/dbraw/zinc/14/04/77/402140477.db2.gz VETDYUKJSAADOP-QGZVFWFLSA-N 0 0 300.358 2.488 10 30 DEEERN CC[C@@H]1CN(C(=O)c2ccc(C#N)cc2C)CCN1CCOC ZINC000123865910 402150743 /nfs/dbraw/zinc/15/07/43/402150743.db2.gz XVYZTVVYAAHJIC-MRXNPFEDSA-N 0 0 315.417 2.050 10 30 DEEERN CC[C@H]1CN(C(=O)c2ccc(C#N)cc2C)CCN1CCOC ZINC000123866160 402151046 /nfs/dbraw/zinc/15/10/46/402151046.db2.gz XVYZTVVYAAHJIC-INIZCTEOSA-N 0 0 315.417 2.050 10 30 DEEERN C=CCn1nnnc1SCc1noc(Cc2ccccc2)n1 ZINC000068051255 402183357 /nfs/dbraw/zinc/18/33/57/402183357.db2.gz MUTOVARTLYRCSA-UHFFFAOYSA-N 0 0 314.374 2.125 10 30 DEEERN Cc1ccccc1[C@@H](CC(=O)NC1(C#N)CCCC1)NC(N)=O ZINC000124798508 402197883 /nfs/dbraw/zinc/19/78/83/402197883.db2.gz MNMSZOLMIAFOMB-CQSZACIVSA-N 0 0 314.389 2.047 10 30 DEEERN CCNc1nc(C(=O)NCCOc2ccc(C#N)cc2)cs1 ZINC000154751917 402230024 /nfs/dbraw/zinc/23/00/24/402230024.db2.gz MDFNXRFWUKBVST-UHFFFAOYSA-N 0 0 316.386 2.255 10 30 DEEERN Cc1ccc(NC(=O)CSCC(=O)N[C@H](C#N)C2CC2)cc1 ZINC000108838163 402262667 /nfs/dbraw/zinc/26/26/67/402262667.db2.gz ZETSHDQCSOYIQV-CQSZACIVSA-N 0 0 317.414 2.085 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCN3CCCC[C@H]3C2)s1 ZINC000126217044 402270370 /nfs/dbraw/zinc/27/03/70/402270370.db2.gz KWYPVCLSYKKQDW-LBPRGKRZSA-N 0 0 306.435 2.051 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000184597974 402281878 /nfs/dbraw/zinc/28/18/78/402281878.db2.gz SAHWMRQVEMIAFW-NEPJUHHUSA-N 0 0 313.344 2.423 10 30 DEEERN Cc1csc(C2CCN([C@@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000156715078 402287435 /nfs/dbraw/zinc/28/74/35/402287435.db2.gz QNZHLVARIDRZMS-ZDUSSCGKSA-N 0 0 320.462 2.392 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000184733642 402295854 /nfs/dbraw/zinc/29/58/54/402295854.db2.gz MAXMATBZZZUHMK-ZNMIVQPWSA-N 0 0 305.422 2.294 10 30 DEEERN N#C[C@@H](NC(=O)CCSc1ccc2c(c1)OCCO2)C1CC1 ZINC000159573155 402325893 /nfs/dbraw/zinc/32/58/93/402325893.db2.gz ZVGOGAGQYAWHFP-CYBMUJFWSA-N 0 0 318.398 2.358 10 30 DEEERN COc1ccc(CN(C)C(=O)c2cc(C#N)cn2C)c(OC)c1 ZINC000176502216 402315242 /nfs/dbraw/zinc/31/52/42/402315242.db2.gz CXJHDJHCFJEJRG-UHFFFAOYSA-N 0 0 313.357 2.186 10 30 DEEERN N#Cc1ccccc1OCC(=O)Nc1cccc2c1OCC[C@@H]2O ZINC000185272746 402340649 /nfs/dbraw/zinc/34/06/49/402340649.db2.gz ZIUBGACODMMNAK-HNNXBMFYSA-N 0 0 324.336 2.392 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCCc1nnc2n1CCCCC2 ZINC000160388504 402343444 /nfs/dbraw/zinc/34/34/44/402343444.db2.gz JSYJHGXBHLRUHC-UHFFFAOYSA-N 0 0 323.400 2.157 10 30 DEEERN N#Cc1ccc(N[C@H](CO)c2cccc(Br)c2)nn1 ZINC000160673283 402356639 /nfs/dbraw/zinc/35/66/39/402356639.db2.gz ONDFZNYNURGIDG-GFCCVEGCSA-N 0 0 319.162 2.256 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccccc1NC(=O)C(C)(C)C ZINC000185706773 402370357 /nfs/dbraw/zinc/37/03/57/402370357.db2.gz RUVXJAUZSMRJLD-LBPRGKRZSA-N 0 0 304.390 2.338 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C ZINC000185710447 402370881 /nfs/dbraw/zinc/37/08/81/402370881.db2.gz NFRZEVXTBQQWGA-KGYLQXTDSA-N 0 0 320.364 2.087 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(C(C)C)nc2onc(C)c21 ZINC000185750787 402374029 /nfs/dbraw/zinc/37/40/29/402374029.db2.gz VEKHXKCDCRGVNS-LLVKDONJSA-N 0 0 303.362 2.321 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCc1c(C)nn(CC(C)C)c1C ZINC000185755313 402374383 /nfs/dbraw/zinc/37/43/83/402374383.db2.gz PVAGSYCKFFTDSX-HNNXBMFYSA-N 0 0 307.438 2.142 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnn(-c2cc(C)ccc2C)c1C ZINC000185807378 402379015 /nfs/dbraw/zinc/37/90/15/402379015.db2.gz ZYJQTZBDYHCKMB-OAHLLOKOSA-N 0 0 313.401 2.464 10 30 DEEERN Cc1cc(C[C@H](C)NC(=O)[C@H](C)Oc2ccccc2C#N)[nH]n1 ZINC000161654496 402394703 /nfs/dbraw/zinc/39/47/03/402394703.db2.gz YTZSIFDZVKDWQT-AAEUAGOBSA-N 0 0 312.373 2.105 10 30 DEEERN C#C[C@H](C)NC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000186031623 402397739 /nfs/dbraw/zinc/39/77/39/402397739.db2.gz NPKBXMUBPYJVIY-QWHCGFSZSA-N 0 0 321.371 2.250 10 30 DEEERN N#C[C@H](NC(=O)C1(c2ccc(F)cc2)CCOCC1)C1CC1 ZINC000161757568 402398063 /nfs/dbraw/zinc/39/80/63/402398063.db2.gz DHUHLEURHHFHAO-HNNXBMFYSA-N 0 0 302.349 2.292 10 30 DEEERN C[C@H](NC(=O)Nc1ncccc1OCCCC#N)[C@@H]1CCCO1 ZINC000186451752 402432356 /nfs/dbraw/zinc/43/23/56/402432356.db2.gz NYGCUEHJAYULPX-STQMWFEESA-N 0 0 318.377 2.453 10 30 DEEERN C=CCOc1cccc(NC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000163099329 402441562 /nfs/dbraw/zinc/44/15/62/402441562.db2.gz GVOONEQVWJJFDR-STQMWFEESA-N 0 0 317.389 2.417 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(F)ccc1OC(F)F ZINC000186619529 402448764 /nfs/dbraw/zinc/44/87/64/402448764.db2.gz BJZWMKIWZNCIFH-VIFPVBQESA-N 0 0 304.268 2.486 10 30 DEEERN C=CCNC(=O)CN1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000185945437 402391565 /nfs/dbraw/zinc/39/15/65/402391565.db2.gz VKBIBOWVSBYINZ-KKUMJFAQSA-N 0 0 322.449 2.263 10 30 DEEERN CN(CCC#N)C(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000161618133 402393438 /nfs/dbraw/zinc/39/34/38/402393438.db2.gz RDJWLXODIHCTQV-STQMWFEESA-N 0 0 309.410 2.442 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccnn1-c1ccc(C#N)cc1 ZINC000177361478 402394455 /nfs/dbraw/zinc/39/44/55/402394455.db2.gz QMFMIMQAEKZAQM-UHFFFAOYSA-N 0 0 316.324 2.206 10 30 DEEERN C[C@@H]1CC[C@@H](C(=O)N2CCCN(c3ccccc3C#N)CC2)O1 ZINC000178067889 402457078 /nfs/dbraw/zinc/45/70/78/402457078.db2.gz ZQKNSERFHUOZEU-PBHICJAKSA-N 0 0 313.401 2.164 10 30 DEEERN CCO[C@H]1C[C@H](NC(=O)C#Cc2ccccc2)C12CCOCC2 ZINC000187149275 402485220 /nfs/dbraw/zinc/48/52/20/402485220.db2.gz FHGGROCTEFVFJB-IRXDYDNUSA-N 0 0 313.397 2.129 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000169064846 402500123 /nfs/dbraw/zinc/50/01/23/402500123.db2.gz KWBFPSYDOGBQDE-STQMWFEESA-N 0 0 300.362 2.032 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)NCCC2=CCCC2)c1 ZINC000178834440 402544885 /nfs/dbraw/zinc/54/48/85/402544885.db2.gz OTLJSABNIGAZCK-UHFFFAOYSA-N 0 0 311.385 2.406 10 30 DEEERN C=CCn1c(S[C@@H]2CCNC2=O)nnc1-c1cccs1 ZINC000179007882 402564101 /nfs/dbraw/zinc/56/41/01/402564101.db2.gz HZPZVWCSSMVIDG-SNVBAGLBSA-N 0 0 306.416 2.173 10 30 DEEERN Cc1nc(C[C@@H]2CCCN(C(=O)c3sccc3C#N)C2)no1 ZINC000171235441 402569420 /nfs/dbraw/zinc/56/94/20/402569420.db2.gz MGVWVRYASGPDCR-NSHDSACASA-N 0 0 316.386 2.406 10 30 DEEERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000190042408 402572920 /nfs/dbraw/zinc/57/29/20/402572920.db2.gz ZFWFNIMGBJMSGP-LRDDRELGSA-N 0 0 320.414 2.030 10 30 DEEERN C=CCSCCNC(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000178664142 402523510 /nfs/dbraw/zinc/52/35/10/402523510.db2.gz CSUHCEUYRRZMBJ-HNNXBMFYSA-N 0 0 322.430 2.394 10 30 DEEERN Cc1sc(NC(=O)CN2C[C@H](C)OC[C@H]2C)c(C#N)c1C ZINC000246306607 402523873 /nfs/dbraw/zinc/52/38/73/402523873.db2.gz ZCCLAWJZOAOHIJ-ZJUUUORDSA-N 0 0 307.419 2.284 10 30 DEEERN N#Cc1cc(C#N)c(SCc2cn3ccsc3n2)nc1N ZINC000170813720 402527642 /nfs/dbraw/zinc/52/76/42/402527642.db2.gz DHVIALZOUCRPER-UHFFFAOYSA-N 0 0 312.383 2.409 10 30 DEEERN COCCOc1ccc(C#N)cc1NC(=O)[C@H]1CCCO[C@H]1C ZINC000190198641 402583785 /nfs/dbraw/zinc/58/37/85/402583785.db2.gz SBWGWRYUPAKKEW-JSGCOSHPSA-N 0 0 318.373 2.337 10 30 DEEERN C[C@@H](NCC(=O)NCC#N)c1c(Cl)ccc(F)c1Cl ZINC000179541637 402594417 /nfs/dbraw/zinc/59/44/17/402594417.db2.gz UDLHWNWISLUKGW-SSDOTTSWSA-N 0 0 304.152 2.423 10 30 DEEERN COC(=O)[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000179784216 402600217 /nfs/dbraw/zinc/60/02/17/402600217.db2.gz UOLICXQIEVWOAC-CQSZACIVSA-N 0 0 300.358 2.169 10 30 DEEERN COC(C)(C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000179858068 402602478 /nfs/dbraw/zinc/60/24/78/402602478.db2.gz BNWXFKKGBRIPFY-UHFFFAOYSA-N 0 0 317.389 2.184 10 30 DEEERN Cc1ccc2c(n1)OCCN2C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000180469898 402617280 /nfs/dbraw/zinc/61/72/80/402617280.db2.gz OZVFILDRAKWFAU-CYBMUJFWSA-N 0 0 323.352 2.455 10 30 DEEERN CCN(C[C@H](C)C#N)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181937078 402661466 /nfs/dbraw/zinc/66/14/66/402661466.db2.gz QNBJIEPHIFRTKX-SECBINFHSA-N 0 0 321.324 2.271 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1COc2ccccc21 ZINC000172674218 402669488 /nfs/dbraw/zinc/66/94/88/402669488.db2.gz GQAJWAUQDTXALQ-CQSZACIVSA-N 0 0 314.366 2.279 10 30 DEEERN N#CC(=NOCC(=O)c1ccccc1)C(=O)Nc1ccccc1 ZINC000254399555 402670849 /nfs/dbraw/zinc/67/08/49/402670849.db2.gz WONWNNBDFYKEDB-UHFFFAOYSA-N 0 0 307.309 2.404 10 30 DEEERN C=C(C)CN(CC)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172728208 402672395 /nfs/dbraw/zinc/67/23/95/402672395.db2.gz HWLUDJGVZZCAGC-UHFFFAOYSA-N 0 0 315.417 2.358 10 30 DEEERN N#Cc1nn(-c2ccccc2F)nc1N1CCCC[C@H]1CCO ZINC000256047757 402699583 /nfs/dbraw/zinc/69/95/83/402699583.db2.gz OMQIBYLNMJWABB-LBPRGKRZSA-N 0 0 315.352 2.019 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000182900672 402725497 /nfs/dbraw/zinc/72/54/97/402725497.db2.gz SNWYLXZMNSJPOB-SECBINFHSA-N 0 0 314.769 2.416 10 30 DEEERN C[C@@H](CNC(=O)c1ccnc(C#N)c1)N1CCc2ccccc21 ZINC000192632285 402741652 /nfs/dbraw/zinc/74/16/52/402741652.db2.gz YROZNSXBMMTUIN-ZDUSSCGKSA-N 0 0 306.369 2.134 10 30 DEEERN C=CCN(CCN1CCO[C@H](C)C1)Cc1cccc([N+](=O)[O-])c1 ZINC000192727124 402747007 /nfs/dbraw/zinc/74/70/07/402747007.db2.gz NPGUXOINCUBWEJ-OAHLLOKOSA-N 0 0 319.405 2.304 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1cccc(Br)c1 ZINC000183253802 402750426 /nfs/dbraw/zinc/75/04/26/402750426.db2.gz ODZFFOWYNBIAIT-LBPRGKRZSA-N 0 0 313.195 2.185 10 30 DEEERN C=CCCO[C@H](C)C(=O)NC1(c2noc(CC)n2)CCCC1 ZINC000175130592 402781809 /nfs/dbraw/zinc/78/18/09/402781809.db2.gz WXOYARZUPCILKM-GFCCVEGCSA-N 0 0 307.394 2.499 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(C)nn1Cc1ccccc1 ZINC000183540468 402775214 /nfs/dbraw/zinc/77/52/14/402775214.db2.gz ZLOFIYXKNDTGIU-OAHLLOKOSA-N 0 0 314.389 2.298 10 30 DEEERN CSCc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)ccc1F ZINC000175301883 402795148 /nfs/dbraw/zinc/79/51/48/402795148.db2.gz IDIIJMLSSIDAAE-UHFFFAOYSA-N 0 0 315.333 2.407 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NCc2ccc(C(F)F)cc2)cn1 ZINC000183861191 402802620 /nfs/dbraw/zinc/80/26/20/402802620.db2.gz NRGKUEGQNADAND-UHFFFAOYSA-N 0 0 323.324 2.369 10 30 DEEERN CC[C@@H](CC#N)NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000183956672 402808354 /nfs/dbraw/zinc/80/83/54/402808354.db2.gz WDRPNQQYQVONHW-DZGCQCFKSA-N 0 0 314.389 2.491 10 30 DEEERN COc1ccc(NC(C)=O)cc1NC(=O)c1ccnc(C#N)c1 ZINC000195008071 402826269 /nfs/dbraw/zinc/82/62/69/402826269.db2.gz BZYJRRCCDNGALA-UHFFFAOYSA-N 0 0 310.313 2.173 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)NCC)cc1 ZINC000184272620 402832114 /nfs/dbraw/zinc/83/21/14/402832114.db2.gz QSZRDEFGPWBTMB-CYBMUJFWSA-N 0 0 324.446 2.203 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccccc1-n1nccc1C ZINC000184326141 402835385 /nfs/dbraw/zinc/83/53/85/402835385.db2.gz DOOREQPHBDLPNK-ZDUSSCGKSA-N 0 0 300.362 2.239 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000183635193 402783763 /nfs/dbraw/zinc/78/37/63/402783763.db2.gz KLAIYWBPJAHJQS-HIFRSBDPSA-N 0 0 314.389 2.170 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1c(F)ccc(Br)c1F ZINC000280337397 402989987 /nfs/dbraw/zinc/98/99/87/402989987.db2.gz SYVDZYYUHJVBNR-SSDOTTSWSA-N 0 0 320.133 2.394 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000273380096 402999531 /nfs/dbraw/zinc/99/95/31/402999531.db2.gz AXWLBYBSGDHQFS-LURJTMIESA-N 0 0 316.231 2.270 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCC(C(N)=O)CC1 ZINC000282952063 403163796 /nfs/dbraw/zinc/16/37/96/403163796.db2.gz NLDMWFCKXKUHBU-UHFFFAOYSA-N 0 0 319.453 2.145 10 30 DEEERN C#CCC(CC#C)C(=O)N1C[C@H](C(=O)NCCCC)CC[C@H]1C ZINC000277347441 403208020 /nfs/dbraw/zinc/20/80/20/403208020.db2.gz DYFNSLLVKRLXAJ-NVXWUHKLSA-N 0 0 316.445 2.193 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000277392011 403213076 /nfs/dbraw/zinc/21/30/76/403213076.db2.gz KJRRKDUBRKLUSO-KRWDZBQOSA-N 0 0 323.371 2.428 10 30 DEEERN C#Cc1cccc(N(CC)S(=O)(=O)Cc2cc(C)on2)c1 ZINC000283773241 403222299 /nfs/dbraw/zinc/22/22/99/403222299.db2.gz BGMVWQLZXHCYBV-UHFFFAOYSA-N 0 0 304.371 2.321 10 30 DEEERN C=C(C)CS(=O)(=O)N1CC[C@@H](C(=O)OC)c2ccccc21 ZINC000276507068 403182028 /nfs/dbraw/zinc/18/20/28/403182028.db2.gz DGVOBZPCSWBINE-CYBMUJFWSA-N 0 0 309.387 2.059 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(C)(C)C1 ZINC000283249058 403183951 /nfs/dbraw/zinc/18/39/51/403183951.db2.gz LEZTZLHXJXVTTL-ZDUSSCGKSA-N 0 0 306.410 2.178 10 30 DEEERN CCc1nc(C2(NC(=O)c3cc(C#N)ccn3)CCCC2)no1 ZINC000283461457 403199137 /nfs/dbraw/zinc/19/91/37/403199137.db2.gz OMYRRHWNNHHLSX-UHFFFAOYSA-N 0 0 311.345 2.098 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1sc([C@H]2CCCOC2)nc1C ZINC000345356767 403299596 /nfs/dbraw/zinc/29/95/96/403299596.db2.gz SGAHWWVTOGOLBR-STQMWFEESA-N 0 0 324.446 2.260 10 30 DEEERN C=CC[C@H]1N(C(=O)N[C@H](C)Cn2cncn2)CCCC1(C)C ZINC000277755928 403253479 /nfs/dbraw/zinc/25/34/79/403253479.db2.gz QPWTVBHAPHMOMR-ZIAGYGMSSA-N 0 0 305.426 2.443 10 30 DEEERN C=CC[C@@H](C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccccc1 ZINC000342697366 403312966 /nfs/dbraw/zinc/31/29/66/403312966.db2.gz LPFAOTXRKAJDJD-DZGCQCFKSA-N 0 0 321.442 2.428 10 30 DEEERN C#CCOc1ccc(C(=O)N2CC=C(c3ccnn3C)CC2)cc1 ZINC000285768245 403376385 /nfs/dbraw/zinc/37/63/85/403376385.db2.gz ROKBPEMZVCKVEC-UHFFFAOYSA-N 0 0 321.380 2.362 10 30 DEEERN C=CCCOCCCCC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000342865326 403378048 /nfs/dbraw/zinc/37/80/48/403378048.db2.gz FFLHGZOCFLEMCL-UHFFFAOYSA-N 0 0 315.377 2.364 10 30 DEEERN C=C(C)[C@@H](NC(=O)N[C@H]1CCCNC1=O)c1ccc(F)c(F)c1 ZINC000298530515 403405697 /nfs/dbraw/zinc/40/56/97/403405697.db2.gz XPJLHFGCXBXWCI-UONOGXRCSA-N 0 0 323.343 2.160 10 30 DEEERN C#CCO[C@@H](C)C(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000298727251 403449428 /nfs/dbraw/zinc/44/94/28/403449428.db2.gz SIGLKPSSQYDVCD-YXJHDRRASA-N 0 0 312.413 2.168 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000346444379 403590513 /nfs/dbraw/zinc/59/05/13/403590513.db2.gz WZXXZBJTPNCBBN-HIFRSBDPSA-N 0 0 316.405 2.231 10 30 DEEERN C=CCNC(=O)CN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000287408370 403593488 /nfs/dbraw/zinc/59/34/88/403593488.db2.gz OJSFFBOAKZHGQC-ZDUSSCGKSA-N 0 0 304.394 2.166 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCCc1nc(C)no1 ZINC000287462755 403604467 /nfs/dbraw/zinc/60/44/67/403604467.db2.gz WHRQPIJAFJLRRQ-INIZCTEOSA-N 0 0 311.385 2.452 10 30 DEEERN C#CCC(CC#C)C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C ZINC000287367082 403583643 /nfs/dbraw/zinc/58/36/43/403583643.db2.gz KIPTVLPDEVROOT-ZDUSSCGKSA-N 0 0 306.406 2.069 10 30 DEEERN C#CCC(CC#C)C(=O)NCCOc1cccc(C(F)(F)F)n1 ZINC000287566199 403624769 /nfs/dbraw/zinc/62/47/69/403624769.db2.gz FLAIUHOQOSWFMY-UHFFFAOYSA-N 0 0 324.302 2.258 10 30 DEEERN C#CCN(CC#N)C(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C ZINC000287674818 403647291 /nfs/dbraw/zinc/64/72/91/403647291.db2.gz JCAANPGHUGXNQE-DGCLKSJQSA-N 0 0 313.332 2.019 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000287884105 403685472 /nfs/dbraw/zinc/68/54/72/403685472.db2.gz SVJIYFWVGBCWAO-NRFANRHFSA-N 0 0 301.411 2.045 10 30 DEEERN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1ccc(C#N)nn1 ZINC000302388110 403710776 /nfs/dbraw/zinc/71/07/76/403710776.db2.gz BGRSIPYDELAWBO-WCQYABFASA-N 0 0 317.393 2.406 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)c2nccnc2OC(C)C)c1 ZINC000302618623 403713295 /nfs/dbraw/zinc/71/32/95/403713295.db2.gz CZAHJOHARJBEBN-UHFFFAOYSA-N 0 0 324.384 2.320 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC000288081861 403721495 /nfs/dbraw/zinc/72/14/95/403721495.db2.gz HFCKPWRJVBNGGU-OWCLPIDISA-N 0 0 300.402 2.080 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)NC1(C#N)CCC1 ZINC000343811416 403742923 /nfs/dbraw/zinc/74/29/23/403742923.db2.gz IFYZWTSWBURFOL-UHFFFAOYSA-N 0 0 315.329 2.265 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H](C)OC[C@H]1C ZINC000288242783 403743325 /nfs/dbraw/zinc/74/33/25/403743325.db2.gz SJLXGQFHAVRDFZ-HLLBOEOZSA-N 0 0 300.402 2.440 10 30 DEEERN C=CCCCN(C)c1ncnc2ccc(S(C)(=O)=O)cc21 ZINC000302917424 403743585 /nfs/dbraw/zinc/74/35/85/403743585.db2.gz WYCOZAINIAVZAB-UHFFFAOYSA-N 0 0 305.403 2.436 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1cnccn1 ZINC000288304765 403744756 /nfs/dbraw/zinc/74/47/56/403744756.db2.gz WNUWHCFYWKFBDW-INIZCTEOSA-N 0 0 308.385 2.253 10 30 DEEERN C=CCN(CCc1ccco1)S(=O)(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000295158432 403778229 /nfs/dbraw/zinc/77/82/29/403778229.db2.gz MVQSHGYRWUERQN-DZGCQCFKSA-N 0 0 313.419 2.207 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1CCC([C@@H](C)O)CC1 ZINC000343937478 403799671 /nfs/dbraw/zinc/79/96/71/403799671.db2.gz YSWDXSBBBOHYLB-CYBMUJFWSA-N 0 0 319.401 2.493 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CCCCN1CCOCC1 ZINC000354568030 403881428 /nfs/dbraw/zinc/88/14/28/403881428.db2.gz AFZJPGRGJKLRPR-UHFFFAOYSA-N 0 0 308.344 2.066 10 30 DEEERN N#C[C@H]1CN(C(=O)N[C@@H]2CC23CCCCC3)CCN1C1CC1 ZINC000361990470 403915988 /nfs/dbraw/zinc/91/59/88/403915988.db2.gz JNTYLYRTGRIWCU-LSDHHAIUSA-N 0 0 302.422 2.091 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1COc2cc(OC)ccc2C1 ZINC000362828188 403992801 /nfs/dbraw/zinc/99/28/01/403992801.db2.gz CCDDHWDDKIKWDT-KMFMINBZSA-N 0 0 317.385 2.096 10 30 DEEERN C=CCn1c(Nc2cccc(OC)c2)nnc1[C@@H]1COCCO1 ZINC000289686872 403993155 /nfs/dbraw/zinc/99/31/55/403993155.db2.gz NPADUENLKNPHTM-AWEZNQCLSA-N 0 0 316.361 2.304 10 30 DEEERN C=CCCCN(C)C(=O)CNS(=O)(=O)c1ccc(C)c(C)c1 ZINC000289830950 404002694 /nfs/dbraw/zinc/00/26/94/404002694.db2.gz ADGINIHKPXIIIG-UHFFFAOYSA-N 0 0 324.446 2.006 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000289973926 404013950 /nfs/dbraw/zinc/01/39/50/404013950.db2.gz FXMPBOBAIZAOFT-VMGRFDJRSA-N 0 0 307.365 2.441 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCC[C@H](O)[C@@H]2C)cc1OC ZINC000295940630 404021260 /nfs/dbraw/zinc/02/12/60/404021260.db2.gz FYIMAPQNXWNEDE-JSGCOSHPSA-N 0 0 305.374 2.245 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)c1nc(C(=O)OCC)cs1 ZINC000362601281 403972750 /nfs/dbraw/zinc/97/27/50/403972750.db2.gz IGWLEQJFJWSIIO-JQWIXIFHSA-N 0 0 324.402 2.264 10 30 DEEERN C=CCOCC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)OC ZINC000354844041 404048805 /nfs/dbraw/zinc/04/88/05/404048805.db2.gz IKJMPADHFCFTMB-CQSZACIVSA-N 0 0 305.374 2.027 10 30 DEEERN C=CCOCC(=O)Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000348303306 404058702 /nfs/dbraw/zinc/05/87/02/404058702.db2.gz DAIQIBIYXDNSGB-HUUCEWRRSA-N 0 0 318.417 2.437 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)C[C@H]3CCCCO3)C2)n1 ZINC000328612221 404113621 /nfs/dbraw/zinc/11/36/21/404113621.db2.gz OAMIHRUPGKOLDK-ZIAGYGMSSA-N 0 0 320.393 2.224 10 30 DEEERN Cc1ccoc1C(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000328644657 404121618 /nfs/dbraw/zinc/12/16/18/404121618.db2.gz RYGIVDVTEWLELQ-UHFFFAOYSA-N 0 0 306.362 2.220 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000328688379 404129903 /nfs/dbraw/zinc/12/99/03/404129903.db2.gz HRCFEIKVPQEMIW-JJXSEGSLSA-N 0 0 323.433 2.492 10 30 DEEERN C[C@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1cccc(F)c1 ZINC000363254932 404130388 /nfs/dbraw/zinc/13/03/88/404130388.db2.gz OJODFQWMQKDIHN-BLLLJJGKSA-N 0 0 301.365 2.128 10 30 DEEERN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCCOC1 ZINC000328732312 404139878 /nfs/dbraw/zinc/13/98/78/404139878.db2.gz HCUUYVKKESNCQS-WIGRTHMWSA-N 0 0 318.421 2.224 10 30 DEEERN CN(C(=O)N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1CCNC1=O ZINC000328890503 404168988 /nfs/dbraw/zinc/16/89/88/404168988.db2.gz RRGDLRUQGPSEQA-CHWSQXEVSA-N 0 0 309.410 2.443 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)CCCCC(N)=O ZINC000352172125 404190535 /nfs/dbraw/zinc/19/05/35/404190535.db2.gz UGONXWZRZCJLCJ-UHFFFAOYSA-N 0 0 304.390 2.256 10 30 DEEERN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)[C@@H]1CCc2n[nH]nc2C1 ZINC000328996471 404195072 /nfs/dbraw/zinc/19/50/72/404195072.db2.gz WOGJYEVBEFNGFR-KYOSRNDESA-N 0 0 314.393 2.247 10 30 DEEERN Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@]2(C)CCOC2)CCC[N@@H+]1C ZINC000329166816 404251222 /nfs/dbraw/zinc/25/12/22/404251222.db2.gz HZAKLLUQTPNJKI-LXZKKBNFSA-N 0 0 320.437 2.186 10 30 DEEERN CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCO[C@@H]2C)C1 ZINC000329253926 404279820 /nfs/dbraw/zinc/27/98/20/404279820.db2.gz ZNIUGGSJCHYHDP-HZSPNIEDSA-N 0 0 311.426 2.402 10 30 DEEERN CN(C(=O)NCC1(C)Cc2ccccc2C1)[C@H]1CCNC1=O ZINC000329089854 404227195 /nfs/dbraw/zinc/22/71/95/404227195.db2.gz IREUNZIDNLOYOJ-AWEZNQCLSA-N 0 0 301.390 2.366 10 30 DEEERN C=C(Cl)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000364252197 404330531 /nfs/dbraw/zinc/33/05/31/404330531.db2.gz UXVKLZFANPQBPD-DZGCQCFKSA-N 0 0 322.792 2.083 10 30 DEEERN Cc1csc(CNS(=O)(=O)c2cnc(C)c(C#N)c2)c1 ZINC000344728234 404334018 /nfs/dbraw/zinc/33/40/18/404334018.db2.gz WHRQSFLLGWIMRK-UHFFFAOYSA-N 0 0 307.400 2.110 10 30 DEEERN COC[C@@H]1C[C@@H](OC)CN1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000329489181 404354264 /nfs/dbraw/zinc/35/42/64/404354264.db2.gz UREMZMVWWHVQKA-KTLTXMRPSA-N 0 0 322.449 2.461 10 30 DEEERN CCC(=O)N1CSC[C@H]1C(=O)Nc1cccc2c1OCO2 ZINC000329323111 404302226 /nfs/dbraw/zinc/30/22/26/404302226.db2.gz UYXUPTGOGMNCOO-JTQLQIEISA-N 0 0 308.359 2.315 10 30 DEEERN CN1C[C@H](NC(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1=O ZINC000329377995 404319567 /nfs/dbraw/zinc/31/95/67/404319567.db2.gz MJGWZEGFMOYGNT-SKDRFNHKSA-N 0 0 319.386 2.326 10 30 DEEERN CCCC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)C1 ZINC000329392350 404322702 /nfs/dbraw/zinc/32/27/02/404322702.db2.gz UBYHDBCRVLEBIX-UGQVUOCMSA-N 0 0 308.422 2.407 10 30 DEEERN C#CCOc1ccc(CNC(=O)CCCCC(=O)OC)cc1 ZINC000296795241 404325325 /nfs/dbraw/zinc/32/53/25/404325325.db2.gz BHQNHMJTFUIERZ-UHFFFAOYSA-N 0 0 303.358 2.048 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)CO[C@H](C)c1nccn1C ZINC000355808847 404368614 /nfs/dbraw/zinc/36/86/14/404368614.db2.gz CQGVYKTYCOCLSO-CQSZACIVSA-N 0 0 317.389 2.348 10 30 DEEERN C#C[C@H](C)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C ZINC000364378240 404372325 /nfs/dbraw/zinc/37/23/25/404372325.db2.gz AQCPKLJEBPYJJT-WMLDXEAASA-N 0 0 312.413 2.124 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCOC[C@H]1CC(F)F ZINC000355862205 404373412 /nfs/dbraw/zinc/37/34/12/404373412.db2.gz ODQVPTPVMHWJKA-SCRDCRAPSA-N 0 0 318.364 2.033 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000356016900 404386316 /nfs/dbraw/zinc/38/63/16/404386316.db2.gz ZVAOSWLJZYBJTG-GJZGRUSLSA-N 0 0 324.465 2.369 10 30 DEEERN O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)N[C@H]1CC=CCC1 ZINC000329917167 404495269 /nfs/dbraw/zinc/49/52/69/404495269.db2.gz QRBMXMQEHLZULW-IHRRRGAJSA-N 0 0 319.384 2.006 10 30 DEEERN C=CCn1c(-c2ccc[nH]2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC000351071632 404510610 /nfs/dbraw/zinc/51/06/10/404510610.db2.gz FAITZEPZLKGKOK-LBPRGKRZSA-N 0 0 301.394 2.463 10 30 DEEERN C=CCOc1ccc(CN2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000356300066 404432979 /nfs/dbraw/zinc/43/29/79/404432979.db2.gz IZQPPWHEUWYXLH-KRWDZBQOSA-N 0 0 301.386 2.431 10 30 DEEERN Cn1nccc1[C@@H]1CCCCN1C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000329753506 404440416 /nfs/dbraw/zinc/44/04/16/404440416.db2.gz KCSXWVKLBIOUDU-KBMXLJTQSA-N 0 0 318.421 2.429 10 30 DEEERN C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC[C@@H]1C ZINC000350751400 404461191 /nfs/dbraw/zinc/46/11/91/404461191.db2.gz DLAOHAAXYRQUBN-ZDUSSCGKSA-N 0 0 309.373 2.228 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)N2CCc3cncnc3C2)C12CCC2 ZINC000329821743 404461619 /nfs/dbraw/zinc/46/16/19/404461619.db2.gz YSYJTWMLSIJVGR-LSDHHAIUSA-N 0 0 316.405 2.096 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000297663467 404583806 /nfs/dbraw/zinc/58/38/06/404583806.db2.gz OOOIJHCJYAYMFY-MRXNPFEDSA-N 0 0 308.385 2.480 10 30 DEEERN CC(C)C(=O)N1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000291949286 404596459 /nfs/dbraw/zinc/59/64/59/404596459.db2.gz CMBUVIMREUVYPE-UHFFFAOYSA-N 0 0 312.417 2.137 10 30 DEEERN CC[C@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)[C@H]1CCCO1 ZINC000330124666 404558529 /nfs/dbraw/zinc/55/85/29/404558529.db2.gz IDLXEAXBHJRTIN-AYRXBEOTSA-N 0 0 307.394 2.412 10 30 DEEERN C=CCOc1ccccc1CN1C[C@@H](C)S(=O)(=O)[C@H](C)C1 ZINC000356524361 404570956 /nfs/dbraw/zinc/57/09/56/404570956.db2.gz KUTKSVJALCBOFJ-ZIAGYGMSSA-N 0 0 309.431 2.259 10 30 DEEERN Cc1ccccc1-n1nccc1CN1CCN(C2CC2)[C@H](C#N)C1 ZINC000365418680 404654412 /nfs/dbraw/zinc/65/44/12/404654412.db2.gz OVYANNOQNUSMNV-GOSISDBHSA-N 0 0 321.428 2.353 10 30 DEEERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC000330338391 404630939 /nfs/dbraw/zinc/63/09/39/404630939.db2.gz VISQZJQBDYLMLO-DVOMOZLQSA-N 0 0 321.421 2.290 10 30 DEEERN C=CC[C@H](CC)NC(=O)NCCCNC(=O)c1ccccc1 ZINC000352897572 404685637 /nfs/dbraw/zinc/68/56/37/404685637.db2.gz BRJYCXKBAKJVQU-HNNXBMFYSA-N 0 0 303.406 2.460 10 30 DEEERN C=CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2C[C@H]1CS2 ZINC000414531100 404668731 /nfs/dbraw/zinc/66/87/31/404668731.db2.gz SMVBZHZULFBPKI-AVGNSLFASA-N 0 0 306.435 2.400 10 30 DEEERN C=C(Cl)CNC(=O)N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000374014299 404669632 /nfs/dbraw/zinc/66/96/32/404669632.db2.gz MZRUVOGVEHUHQW-OBJOEFQTSA-N 0 0 302.802 2.107 10 30 DEEERN CC(=O)N[C@@H](CC(=O)N1CCC(C)(C#N)CC1)c1cccs1 ZINC000356968566 404723048 /nfs/dbraw/zinc/72/30/48/404723048.db2.gz BVFARHRPTBEQDE-ZDUSSCGKSA-N 0 0 319.430 2.468 10 30 DEEERN N#CCC[C@@H](NC(=O)NC[C@H](CO)C1CC1)c1ccccc1 ZINC000359241968 404788056 /nfs/dbraw/zinc/78/80/56/404788056.db2.gz MOHYIXWPKDANBK-HZPDHXFCSA-N 0 0 301.390 2.349 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N(CCO)CC1CC1 ZINC000359245787 404788334 /nfs/dbraw/zinc/78/83/34/404788334.db2.gz RDQGHMXZKKZNQX-UHFFFAOYSA-N 0 0 305.374 2.105 10 30 DEEERN C=CCCCNC(=O)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000359656456 404800590 /nfs/dbraw/zinc/80/05/90/404800590.db2.gz WZLLUNUJGMUYLI-UHFFFAOYSA-N 0 0 323.396 2.447 10 30 DEEERN C=CCOc1ccccc1C(=O)NC[C@@H](CO)c1cccnc1 ZINC000360463147 404828130 /nfs/dbraw/zinc/82/81/30/404828130.db2.gz TXQLLGBSASCUEO-HNNXBMFYSA-N 0 0 312.369 2.152 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN1CC(F)(F)F ZINC000360580782 404831961 /nfs/dbraw/zinc/83/19/61/404831961.db2.gz JDYSMUDKGISLEH-XQQFMLRXSA-N 0 0 320.355 2.111 10 30 DEEERN C=CCOC[C@@H](NC(=O)c1cccc2ccccc21)C(=O)OC ZINC000435139055 404959840 /nfs/dbraw/zinc/95/98/40/404959840.db2.gz MRJQKGSVFSYLOX-MRXNPFEDSA-N 0 0 313.353 2.314 10 30 DEEERN C=CCCO[C@H](C)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000435292208 404969426 /nfs/dbraw/zinc/96/94/26/404969426.db2.gz YFWKRGXMIWITCC-OCCSQVGLSA-N 0 0 302.374 2.210 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCCN(C(=O)CCC)CC1)OCC ZINC000361203542 404971638 /nfs/dbraw/zinc/97/16/38/404971638.db2.gz LASMOSDRRGTPSH-OAHLLOKOSA-N 0 0 310.438 2.219 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(OC)c(OC)c1 ZINC000424100925 405005926 /nfs/dbraw/zinc/00/59/26/405005926.db2.gz IKPSMIXPJHQCMP-KBPBESRZSA-N 0 0 320.389 2.094 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCOc1cccc(C)c1 ZINC000424106622 405008858 /nfs/dbraw/zinc/00/88/58/405008858.db2.gz SNNUREDYRPPSOU-HOCLYGCPSA-N 0 0 304.390 2.264 10 30 DEEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC000424132124 405016981 /nfs/dbraw/zinc/01/69/81/405016981.db2.gz XMORSAJFURYISK-NEPJUHHUSA-N 0 0 322.434 2.032 10 30 DEEERN CC1(C#N)CN(C(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)C1 ZINC000361247660 404992319 /nfs/dbraw/zinc/99/23/19/404992319.db2.gz YNHWJVJQWUVHCY-GOSISDBHSA-N 0 0 311.385 2.053 10 30 DEEERN C(#CCN1CCC[C@H]1c1ncc[nH]1)CN1CCC[C@@H]1c1ncc[nH]1 ZINC000367457901 405054613 /nfs/dbraw/zinc/05/46/13/405054613.db2.gz IKEKZPRDKBXFHF-IYBDPMFKSA-N 0 0 324.432 2.110 10 30 DEEERN Cc1cc(CNC(=O)c2ccc(C#N)n2C)cc(N2CCCC2)n1 ZINC000451844247 405062984 /nfs/dbraw/zinc/06/29/84/405062984.db2.gz VYRYZJKHNZMIOY-UHFFFAOYSA-N 0 0 323.400 2.130 10 30 DEEERN Cc1ccnc(N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)c1C#N ZINC000407980768 405082916 /nfs/dbraw/zinc/08/29/16/405082916.db2.gz NYEHHSLYCAECOX-UXLLHSPISA-N 0 0 301.390 2.018 10 30 DEEERN C=CCC[C@@H](CO)NS(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000452030014 405131630 /nfs/dbraw/zinc/13/16/30/405131630.db2.gz LNHYPEDXDIMMQK-ZDUSSCGKSA-N 0 0 322.430 2.092 10 30 DEEERN C=CCCn1cc(C(=O)Nc2cccc(N(C)C(C)=O)c2)nn1 ZINC000424720723 405159047 /nfs/dbraw/zinc/15/90/47/405159047.db2.gz ZQJLBHHZWMLBAH-UHFFFAOYSA-N 0 0 313.361 2.089 10 30 DEEERN C=CCC1(C(=O)N2CCS[C@@H]3COCC[C@H]32)CCOCC1 ZINC000424732448 405162161 /nfs/dbraw/zinc/16/21/61/405162161.db2.gz FQNGSOMQKBOHFN-ZIAGYGMSSA-N 0 0 311.447 2.092 10 30 DEEERN C=C(Cl)CN1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000367863017 405178150 /nfs/dbraw/zinc/17/81/50/405178150.db2.gz LYYQLYLHLQYPDV-STQMWFEESA-N 0 0 306.793 2.248 10 30 DEEERN C=CCN(CCC#N)C(=O)c1cnc(OC)c(Br)c1 ZINC000424838165 405193335 /nfs/dbraw/zinc/19/33/35/405193335.db2.gz VJNGNCNVSKMADF-UHFFFAOYSA-N 0 0 324.178 2.395 10 30 DEEERN C=CCOCCCC(=O)N1CCC(C(=O)N(CC)CC)CC1 ZINC000361676809 405195356 /nfs/dbraw/zinc/19/53/56/405195356.db2.gz DHKZQZYMHCTAIY-UHFFFAOYSA-N 0 0 310.438 2.076 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(CNC(C)=O)s1 ZINC000437514660 405203433 /nfs/dbraw/zinc/20/34/33/405203433.db2.gz CVGIPASDQKNJAU-IUODEOHRSA-N 0 0 322.430 2.095 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000437526206 405204114 /nfs/dbraw/zinc/20/41/14/405204114.db2.gz KNORBBHOPBIBMG-RISCZKNCSA-N 0 0 305.334 2.009 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1ccc(OC)c(OC)c1 ZINC000424918348 405212424 /nfs/dbraw/zinc/21/24/24/405212424.db2.gz UYUPTHOUKSYXSZ-GJZGRUSLSA-N 0 0 319.401 2.344 10 30 DEEERN C=CCn1cc(CNC(=O)CSc2ccccc2C)nn1 ZINC000424920778 405213266 /nfs/dbraw/zinc/21/32/66/405213266.db2.gz DBVXUNWLMXBZNS-UHFFFAOYSA-N 0 0 302.403 2.181 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000424935173 405215851 /nfs/dbraw/zinc/21/58/51/405215851.db2.gz XCNYRCQMPHWGPM-WFASDCNBSA-N 0 0 319.361 2.104 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(CCOC2)C1 ZINC000367846818 405172133 /nfs/dbraw/zinc/17/21/33/405172133.db2.gz GAWDVFAUMIMYAZ-PKOBYXMFSA-N 0 0 312.413 2.443 10 30 DEEERN Cc1cc(N[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c(C#N)cn1 ZINC000425255441 405264195 /nfs/dbraw/zinc/26/41/95/405264195.db2.gz GCLJGHZOPOTYCG-PBHICJAKSA-N 0 0 320.396 2.285 10 30 DEEERN Cc1cccc2c1CC(C)(C)N(C(=O)[C@@H](C)n1cnc(C#N)n1)C2 ZINC000452978912 405268843 /nfs/dbraw/zinc/26/88/43/405268843.db2.gz MHISHQVYBGOYCM-CYBMUJFWSA-N 0 0 323.400 2.383 10 30 DEEERN C=CCC[C@H]1NC(=O)N(CCc2cc(C)c(O)c(C)c2)C1=O ZINC000419937233 405273450 /nfs/dbraw/zinc/27/34/50/405273450.db2.gz MWGXHJRLPHYPOT-CQSZACIVSA-N 0 0 302.374 2.438 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)Nc2ccc3cc[nH]c3c2)C1=O ZINC000439401272 405276582 /nfs/dbraw/zinc/27/65/82/405276582.db2.gz CVCDNVJUMSAWIQ-HNNXBMFYSA-N 0 0 312.373 2.419 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000437838737 405222107 /nfs/dbraw/zinc/22/21/07/405222107.db2.gz LQNYUANJOHGHFL-MAUKXSAKSA-N 0 0 322.449 2.076 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](CO)c1sccc1C ZINC000437939089 405224828 /nfs/dbraw/zinc/22/48/28/405224828.db2.gz ZGDXLFIKAHRDII-MCIONIFRSA-N 0 0 324.446 2.370 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CC[C@@](O)(C(F)F)C2)cc1 ZINC000452687553 405226886 /nfs/dbraw/zinc/22/68/86/405226886.db2.gz QTNDPTRUFPMNDY-INIZCTEOSA-N 0 0 311.328 2.022 10 30 DEEERN C=C(C)CCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000452718490 405232983 /nfs/dbraw/zinc/23/29/83/405232983.db2.gz PTERZMMGAPVYDQ-DOTOQJQBSA-N 0 0 316.401 2.297 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCO)Cc1ccc(C)o1 ZINC000438454633 405247324 /nfs/dbraw/zinc/24/73/24/405247324.db2.gz LJEXRRPSUFRFEK-GOEBONIOSA-N 0 0 322.405 2.073 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)Nc1ccc(Cl)cc1COC ZINC000425746959 405316885 /nfs/dbraw/zinc/31/68/85/405316885.db2.gz SRIFKIHKEKZEHB-UHFFFAOYSA-N 0 0 310.781 2.459 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1c(C)cccc1CC ZINC000425787904 405319722 /nfs/dbraw/zinc/31/97/22/405319722.db2.gz SKNOJOCZBXWRFA-GJZGRUSLSA-N 0 0 316.401 2.203 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(CC)c1 ZINC000425796686 405320163 /nfs/dbraw/zinc/32/01/63/405320163.db2.gz RUGMHJMKONOFCG-WFASDCNBSA-N 0 0 320.364 2.034 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1nnc([C@H](C)CC)[nH]1 ZINC000425862125 405325286 /nfs/dbraw/zinc/32/52/86/405325286.db2.gz WXEGZSDYRBWVSJ-VOAKCMCISA-N 0 0 321.425 2.270 10 30 DEEERN C=CCC1(C(=O)N(CCC)CC(=O)NCCC)CCOCC1 ZINC000425452397 405293138 /nfs/dbraw/zinc/29/31/38/405293138.db2.gz NRVWOAMRFKDFGW-UHFFFAOYSA-N 0 0 310.438 2.124 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](COC)c1ccc(F)cc1 ZINC000425563560 405303473 /nfs/dbraw/zinc/30/34/73/405303473.db2.gz JHXRAOXTOCBIRY-IMJJTQAJSA-N 0 0 322.380 2.404 10 30 DEEERN C=CCCCN(C)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000455141132 405380677 /nfs/dbraw/zinc/38/06/77/405380677.db2.gz OLZGLKHLRFWTPZ-CYBMUJFWSA-N 0 0 322.430 2.165 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CC(=O)OCC)c1ccccc1 ZINC000448800612 405450064 /nfs/dbraw/zinc/45/00/64/405450064.db2.gz RJTMQOVTYQGHPX-PMPSAXMXSA-N 0 0 317.385 2.388 10 30 DEEERN C=C1CC(C)(C(=O)NCc2cccc(N3CCOCC3)c2)C1 ZINC000633197370 405498160 /nfs/dbraw/zinc/49/81/60/405498160.db2.gz PTTQKVPCBVFLRG-UHFFFAOYSA-N 0 0 300.402 2.496 10 30 DEEERN C=C(C)COc1cc(C[N@H+]2CC[C@@H](C(=O)NC)C2)ccc1OC ZINC000421374350 405480608 /nfs/dbraw/zinc/48/06/08/405480608.db2.gz FMMCXVPEZCJYPT-OAHLLOKOSA-N 0 0 318.417 2.218 10 30 DEEERN C=C(C)COc1cc(C[N@H+]2CC[C@H](C(=O)NC)C2)ccc1OC ZINC000421374349 405480939 /nfs/dbraw/zinc/48/09/39/405480939.db2.gz FMMCXVPEZCJYPT-HNNXBMFYSA-N 0 0 318.417 2.218 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N(C)[C@@H](C)CS(=O)(=O)CC ZINC000633410767 405628585 /nfs/dbraw/zinc/62/85/85/405628585.db2.gz CBCISJSPYNOXKS-ZDUSSCGKSA-N 0 0 318.483 2.443 10 30 DEEERN C=C(CC)CNC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000456825987 405581995 /nfs/dbraw/zinc/58/19/95/405581995.db2.gz HXEFATVWLWUVCU-NSHDSACASA-N 0 0 308.328 2.400 10 30 DEEERN C=C(CC)CNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000456830695 405583898 /nfs/dbraw/zinc/58/38/98/405583898.db2.gz RQIXCURSXAMGTJ-CQSZACIVSA-N 0 0 306.431 2.364 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCN(c2cnccn2)CC1 ZINC000633422957 405636601 /nfs/dbraw/zinc/63/66/01/405636601.db2.gz OHSVIMYVQYJBKL-UHFFFAOYSA-N 0 0 317.437 2.301 10 30 DEEERN C=C(C)CCNC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000459001471 405687235 /nfs/dbraw/zinc/68/72/35/405687235.db2.gz NBQVQFVZZNCWBL-OAHLLOKOSA-N 0 0 301.390 2.400 10 30 DEEERN C=CCOc1cccc(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)c1 ZINC000449726284 405712722 /nfs/dbraw/zinc/71/27/22/405712722.db2.gz XBJRDUPJBSTQIF-SJORKVTESA-N 0 0 321.442 2.403 10 30 DEEERN C=CCOc1cccc(NC(=O)N(CCO)[C@@H]2CCO[C@H]2C)c1 ZINC000431979496 405705617 /nfs/dbraw/zinc/70/56/17/405705617.db2.gz DTMWBWRCYLSOSY-XJKSGUPXSA-N 0 0 320.389 2.255 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)c1scc(Br)c1C ZINC000633583626 405727840 /nfs/dbraw/zinc/72/78/40/405727840.db2.gz DNZBWOSCBUBBIT-VIFPVBQESA-N 0 0 316.220 2.323 10 30 DEEERN C=CCC1(C(=O)Nc2nc3cccnc3n2C)CCOCC1 ZINC000583436428 405738987 /nfs/dbraw/zinc/73/89/87/405738987.db2.gz GQJPHTIGWODXIF-UHFFFAOYSA-N 0 0 300.362 2.280 10 30 DEEERN Cc1[nH]c(C#N)cc1C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000450142153 405754914 /nfs/dbraw/zinc/75/49/14/405754914.db2.gz BEMYILTXADNSJC-ZDUSSCGKSA-N 0 0 311.341 2.155 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCC(Cc2nc(C(C)C)n[nH]2)CC1 ZINC000636118464 405756500 /nfs/dbraw/zinc/75/65/00/405756500.db2.gz WIKCENBZCODCKF-KRWDZBQOSA-N 0 0 320.437 2.036 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000450213153 405781851 /nfs/dbraw/zinc/78/18/51/405781851.db2.gz DTKOVTPTFLQWGB-LJQANCHMSA-N 0 0 321.380 2.211 10 30 DEEERN C=CCC(C)(C)C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000432875051 405826827 /nfs/dbraw/zinc/82/68/27/405826827.db2.gz FRFNWJXLEIROAV-ZDUSSCGKSA-N 0 0 306.381 2.188 10 30 DEEERN C=C[C@H](CO)NC(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC000633647932 405764843 /nfs/dbraw/zinc/76/48/43/405764843.db2.gz APMCAGUIKLJPGE-NFAWXSAZSA-N 0 0 324.218 2.390 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCOC[C@H]1C ZINC000432429580 405765976 /nfs/dbraw/zinc/76/59/76/405765976.db2.gz GOQQBAQCSFMRMI-IUODEOHRSA-N 0 0 305.374 2.415 10 30 DEEERN C=CCCC(C)(C)CNC(=O)CN1C(=O)NC(CC)(CC)C1=O ZINC000633963258 405931591 /nfs/dbraw/zinc/93/15/91/405931591.db2.gz HQBBMOZZYIAJJW-UHFFFAOYSA-N 0 0 323.437 2.206 10 30 DEEERN COCC[C@H](NC(=O)c1ccc(C#N)n1C)c1ccc(C)o1 ZINC000450466915 405912660 /nfs/dbraw/zinc/91/26/60/405912660.db2.gz BROQUUOQAYACLW-ZDUSSCGKSA-N 0 0 301.346 2.306 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000566138362 406086037 /nfs/dbraw/zinc/08/60/37/406086037.db2.gz AXFLATPBWVVZKL-LLLHUVSDSA-N 0 0 316.401 2.441 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000566141200 406086691 /nfs/dbraw/zinc/08/66/91/406086691.db2.gz RPDVCRJIZTZYHU-BYNSBNAKSA-N 0 0 310.438 2.469 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1cc(CC)ccn1 ZINC000566487237 406089191 /nfs/dbraw/zinc/08/91/91/406089191.db2.gz VRVAMFKPWJSSDB-UHFFFAOYSA-N 0 0 303.406 2.123 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)c1c(C)ccc2ccccc21 ZINC000632207413 406049344 /nfs/dbraw/zinc/04/93/44/406049344.db2.gz HVYZTELCQUVMII-AWEZNQCLSA-N 0 0 305.399 2.364 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCC[C@@H]1CCO[C@@H](C)C1 ZINC000514872452 406056010 /nfs/dbraw/zinc/05/60/10/406056010.db2.gz HKUADDCKDALYHM-LSDHHAIUSA-N 0 0 310.438 2.170 10 30 DEEERN C=CCC(C)(C)CNC(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000564895928 406068413 /nfs/dbraw/zinc/06/84/13/406068413.db2.gz IFFAUCRVQNMPRF-ZDUSSCGKSA-N 0 0 303.410 2.275 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCC(OC(C)(C)C)CC1 ZINC000460026789 406074589 /nfs/dbraw/zinc/07/45/89/406074589.db2.gz AJGCWHJRFWRPOZ-UHFFFAOYSA-N 0 0 310.438 2.217 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000636763759 406074553 /nfs/dbraw/zinc/07/45/53/406074553.db2.gz XHXDHSQQCDOJDJ-HOCLYGCPSA-N 0 0 313.401 2.400 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C)c1cnccc1C ZINC000636767936 406076797 /nfs/dbraw/zinc/07/67/97/406076797.db2.gz KVKLWZWSYIMFLC-CYBMUJFWSA-N 0 0 303.406 2.286 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@H]2CCOC3(CCOCC3)C2)C1 ZINC000636946422 406130287 /nfs/dbraw/zinc/13/02/87/406130287.db2.gz NONKGEZXXMTWFJ-GJZGRUSLSA-N 0 0 308.422 2.322 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](CC)[C@H]1CCCCO1 ZINC000637007814 406147911 /nfs/dbraw/zinc/14/79/11/406147911.db2.gz SWSPMYFQLJJKRD-UONOGXRCSA-N 0 0 310.438 2.169 10 30 DEEERN C=C[C@@](C)(O)CC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC000634482800 406148110 /nfs/dbraw/zinc/14/81/10/406148110.db2.gz ZQJKZLKZUYNVRO-QGZVFWFLSA-N 0 0 318.373 2.309 10 30 DEEERN C=CCOc1cccc(NC(=O)NCC[C@@H](O)C(F)F)c1 ZINC000639586618 406157362 /nfs/dbraw/zinc/15/73/62/406157362.db2.gz JVPGCTRIZQLTBA-GFCCVEGCSA-N 0 0 300.305 2.389 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@@H](CC(=O)NC)c2ccccc2)C1 ZINC000637115987 406181463 /nfs/dbraw/zinc/18/14/63/406181463.db2.gz WEWLIKBQJZPLGM-HOCLYGCPSA-N 0 0 315.417 2.471 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H](C)c2noc(COCC)n2)C1 ZINC000637158140 406194565 /nfs/dbraw/zinc/19/45/65/406194565.db2.gz LONRHULHOYOZFW-NWDGAFQWSA-N 0 0 308.382 2.275 10 30 DEEERN C=CCCS(=O)(=O)N1CCC(Cc2nccs2)CC1 ZINC000632640283 406209395 /nfs/dbraw/zinc/20/93/95/406209395.db2.gz LNMGWZUMJPEENI-UHFFFAOYSA-N 0 0 300.449 2.304 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)CO ZINC000632662227 406219040 /nfs/dbraw/zinc/21/90/40/406219040.db2.gz VWCCQFQSROCQQF-LSDHHAIUSA-N 0 0 324.465 2.105 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1Cc2cncn2C1 ZINC000637223319 406220248 /nfs/dbraw/zinc/22/02/48/406220248.db2.gz KBYMVNHHTDKCGS-HZPDHXFCSA-N 0 0 310.401 2.294 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)c2cc[nH]c2C2CCC2)C1=O ZINC000487657689 406254618 /nfs/dbraw/zinc/25/46/18/406254618.db2.gz JIKTVVXEMDHSLY-CQSZACIVSA-N 0 0 301.390 2.141 10 30 DEEERN C=CCCCCCNC(=O)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000570106388 406347496 /nfs/dbraw/zinc/34/74/96/406347496.db2.gz JCABQWDWHIBODF-AWEZNQCLSA-N 0 0 307.369 2.398 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)NCc1ccc(C(C)(C)C)[nH]c1=O ZINC000637608954 406364030 /nfs/dbraw/zinc/36/40/30/406364030.db2.gz XYOHDQNUZXBOOY-ZDUSSCGKSA-N 0 0 321.421 2.211 10 30 DEEERN C=C1CC(C)(C(=O)Nc2cccc(C(=O)NCCOC)c2)C1 ZINC000633015397 406353641 /nfs/dbraw/zinc/35/36/41/406353641.db2.gz DJTMQQFUOKOQLR-UHFFFAOYSA-N 0 0 302.374 2.358 10 30 DEEERN C=CCn1c(-c2cc(C)oc2C)nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC000635031557 406407861 /nfs/dbraw/zinc/40/78/61/406407861.db2.gz QOKPYVBLPOLAQC-OKILXGFUSA-N 0 0 314.389 2.424 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H](C)O[C@H]2C)cc1 ZINC000637652106 406379596 /nfs/dbraw/zinc/37/95/96/406379596.db2.gz WCLIQJZRNIUGHI-TYNCELHUSA-N 0 0 317.389 2.290 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)C[C@H]1CCCS1(=O)=O ZINC000635263962 406480114 /nfs/dbraw/zinc/48/01/14/406480114.db2.gz WTWACKLGPJYDNZ-OAHLLOKOSA-N 0 0 307.415 2.169 10 30 DEEERN C=CCN(CCC#N)S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000490088710 406452324 /nfs/dbraw/zinc/45/23/24/406452324.db2.gz ITQWOWODNJOFQF-UHFFFAOYSA-N 0 0 319.308 2.191 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000571397482 406514792 /nfs/dbraw/zinc/51/47/92/406514792.db2.gz XAPPWMPQHBYCQN-QRJUGERDSA-N 0 0 310.438 2.470 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CCC[C@H](CC)C1 ZINC000572813395 406740813 /nfs/dbraw/zinc/74/08/13/406740813.db2.gz QMBZTYIEWDRQNG-ZDUSSCGKSA-N 0 0 315.425 2.194 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000574394491 406782984 /nfs/dbraw/zinc/78/29/84/406782984.db2.gz IXXIODSPNKZUNR-WFASDCNBSA-N 0 0 315.373 2.284 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1C[C@H](C)CC[C@H]1C ZINC000574608429 406785153 /nfs/dbraw/zinc/78/51/53/406785153.db2.gz UVKUFOMIGIELLV-VXGBXAGGSA-N 0 0 315.425 2.193 10 30 DEEERN C=CC1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC1 ZINC000574872277 406786446 /nfs/dbraw/zinc/78/64/46/406786446.db2.gz KYQCIDFOHOYFQF-UHFFFAOYSA-N 0 0 304.415 2.480 10 30 DEEERN CCOc1c(C#N)ccc(I)c1[N+](=O)[O-] ZINC000575670386 406817052 /nfs/dbraw/zinc/81/70/52/406817052.db2.gz GUKBGHTWRKGTDF-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN COC(=O)Cc1ccc(OC(F)(F)F)c(C#N)c1[N+](=O)[O-] ZINC000575395359 406808824 /nfs/dbraw/zinc/80/88/24/406808824.db2.gz ACFQVPHPQRDIKX-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN CCOc1cc(I)cc(CC#N)c1N ZINC000575718134 406823559 /nfs/dbraw/zinc/82/35/59/406823559.db2.gz QDQUTKXSCAZZTR-UHFFFAOYSA-N 0 0 302.115 2.338 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1CCO[C@H](C(C)C)C1 ZINC000575882534 406827166 /nfs/dbraw/zinc/82/71/66/406827166.db2.gz SETFQIAFAITDRT-WCVJEAGWSA-N 0 0 310.438 2.470 10 30 DEEERN C=CCCCCCNC(=O)N1C[C@H](C)S(=O)(=O)[C@@H](CC)C1 ZINC000576000998 406828124 /nfs/dbraw/zinc/82/81/24/406828124.db2.gz REJXOUBLAITJAK-KBPBESRZSA-N 0 0 316.467 2.340 10 30 DEEERN N#Cc1ccc(Cn2cnc3c4ccccc4oc3c2=O)nc1 ZINC000570883973 292512249 /nfs/dbraw/zinc/51/22/49/292512249.db2.gz YDYICKDVWDJREU-UHFFFAOYSA-N 0 0 302.293 2.458 10 30 DEEERN O=C(NCCC(F)(F)F)c1ccc(C#CCO)c(Cl)c1 ZINC000128879147 196000174 /nfs/dbraw/zinc/00/01/74/196000174.db2.gz XSGZPWIOFSKVBP-UHFFFAOYSA-N 0 0 305.683 2.366 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCCCC1 ZINC000129323433 196038924 /nfs/dbraw/zinc/03/89/24/196038924.db2.gz VOLCLDLKPFCDHQ-UHFFFAOYSA-N 0 0 309.373 2.138 10 30 DEEERN C=CCC[C@H](NC(=O)N1CCNC(=O)CC1)c1ccccc1 ZINC000131100052 196139285 /nfs/dbraw/zinc/13/92/85/196139285.db2.gz ATTCBEKPHUWVLF-HNNXBMFYSA-N 0 0 301.390 2.225 10 30 DEEERN C=C(C)CN(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000131471134 196171926 /nfs/dbraw/zinc/17/19/26/196171926.db2.gz ABUBZMPIGHLWOR-UHFFFAOYSA-N 0 0 304.755 2.445 10 30 DEEERN N#Cc1ccc(CS(=O)(=O)Nc2c(N)cccc2F)cc1 ZINC000132327227 196245893 /nfs/dbraw/zinc/24/58/93/196245893.db2.gz UEMCBRZLLZMWMR-UHFFFAOYSA-N 0 0 305.334 2.221 10 30 DEEERN C=CC1CCN(C(=O)N[C@@H]2CCCn3nc(CC)nc32)CC1 ZINC000133067344 196309088 /nfs/dbraw/zinc/30/90/88/196309088.db2.gz RLVXOFJKKXTRRV-CYBMUJFWSA-N 0 0 303.410 2.283 10 30 DEEERN C[C@@H]1CN(C(=O)c2ccc(C#CCCO)cc2F)CCS1 ZINC000137313269 196572154 /nfs/dbraw/zinc/57/21/54/196572154.db2.gz OJBZBIOQYIJBOP-GFCCVEGCSA-N 0 0 307.390 2.137 10 30 DEEERN Cc1cc(C(=O)NC[C@@H]2CCCCS2)ccc1C#CCO ZINC000137770745 196579303 /nfs/dbraw/zinc/57/93/03/196579303.db2.gz XCNNBPDTCOMGJT-INIZCTEOSA-N 0 0 303.427 2.354 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328692678 225785141 /nfs/dbraw/zinc/78/51/41/225785141.db2.gz FIHKFQYPPCEXNH-XUWVNRHRSA-N 0 0 314.389 2.498 10 30 DEEERN Cc1nnc([C@H](C)NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)s1 ZINC000329791601 225929392 /nfs/dbraw/zinc/92/93/92/225929392.db2.gz UQNAGFVIIGZIPE-JVLSTEMRSA-N 0 0 324.450 2.449 10 30 DEEERN Cc1cc2c(cc1NC(=O)N1CCO[C@H](C3CC3)C1)OCO2 ZINC000330150844 225973028 /nfs/dbraw/zinc/97/30/28/225973028.db2.gz VXDZGJOVYDUWHW-HNNXBMFYSA-N 0 0 304.346 2.380 10 30 DEEERN N#C[C@H]1CN(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)CCO1 ZINC000333426135 226106455 /nfs/dbraw/zinc/10/64/55/226106455.db2.gz IUWIWZODFSNYDZ-OPQQBVKSSA-N 0 0 323.755 2.269 10 30 DEEERN CCn1cc([C@@H]2OCCC[C@H]2C(=O)N[C@H]2CCC[C@@H]2C#N)cn1 ZINC000334114030 226115281 /nfs/dbraw/zinc/11/52/81/226115281.db2.gz FMVWDUYHCGPXJW-OJLVUWQFSA-N 0 0 316.405 2.179 10 30 DEEERN COC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000344653149 226584730 /nfs/dbraw/zinc/58/47/30/226584730.db2.gz URGMJZMPFVIWHT-JKSUJKDBSA-N 0 0 314.385 2.118 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cncc3ccccc32)CCN1C1CC1 ZINC000363079479 226909497 /nfs/dbraw/zinc/90/94/97/226909497.db2.gz AASAEPAKHXUFQF-OAHLLOKOSA-N 0 0 306.369 2.047 10 30 DEEERN C[C@H](Cc1cccs1)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369233639 227027087 /nfs/dbraw/zinc/02/70/87/227027087.db2.gz WQXFXFDQVISETB-OCCSQVGLSA-N 0 0 318.446 2.061 10 30 DEEERN N#C[C@H]1CN(C(=O)NC[C@H]2CCc3ccccc32)CCN1C1CC1 ZINC000369220699 227027706 /nfs/dbraw/zinc/02/77/06/227027706.db2.gz UDFDUENOCOPRQP-WBVHZDCISA-N 0 0 324.428 2.098 10 30 DEEERN N#C[C@@H]1CN(C(=O)Cc2ccc(F)cc2Cl)CCN1C1CC1 ZINC000370713826 227056503 /nfs/dbraw/zinc/05/65/03/227056503.db2.gz ALRCDLDVWDKZLA-CQSZACIVSA-N 0 0 321.783 2.220 10 30 DEEERN N#CC1CCC(CNC(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000373001220 227101430 /nfs/dbraw/zinc/10/14/30/227101430.db2.gz IUBKPLHCIITADN-QDIHITRGSA-N 0 0 305.422 2.384 10 30 DEEERN Cn1cc2c(n1)CCC[C@H]2C(=O)NCC1CCC(C#N)CC1 ZINC000373011739 227101733 /nfs/dbraw/zinc/10/17/33/227101733.db2.gz SPCCCLOJPVRXHI-JXQTWKCFSA-N 0 0 300.406 2.286 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)C[C@H](O)CC(C)(C)C ZINC000291411181 222372444 /nfs/dbraw/zinc/37/24/44/222372444.db2.gz CIGDNTCCIWLWQG-ZDUSSCGKSA-N 0 0 316.401 2.175 10 30 DEEERN C[C@@H]1CCC[C@](C#N)(NC(=O)C2CN(CC(F)(F)F)C2)C1 ZINC000408350886 227232127 /nfs/dbraw/zinc/23/21/27/227232127.db2.gz AVYSDWVJYJRXSD-MFKMUULPSA-N 0 0 303.328 2.069 10 30 DEEERN Cc1c(Cl)cnc(NC[C@@H](C)N2CCCCC2=O)c1C#N ZINC000359712575 424832583 /nfs/dbraw/zinc/83/25/83/424832583.db2.gz HRENXWKATPKLTJ-SNVBAGLBSA-N 0 0 306.797 2.728 10 30 DEEERN C=CCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000360390430 424838235 /nfs/dbraw/zinc/83/82/35/424838235.db2.gz SJPRROLDQPYUEJ-UHFFFAOYSA-N 0 0 301.737 2.705 10 30 DEEERN Cc1cc(NC(=O)C[C@H]2CCOc3ccccc32)nn1CCC#N ZINC000367209421 424867086 /nfs/dbraw/zinc/86/70/86/424867086.db2.gz PSPXDVHQUSHNJX-CQSZACIVSA-N 0 0 324.384 3.000 10 30 DEEERN N#CCCn1ccc(NC(=O)Nc2cccc3c2OCCC3)n1 ZINC000368959031 424874756 /nfs/dbraw/zinc/87/47/56/424874756.db2.gz QPNAKJLGKXRHPX-UHFFFAOYSA-N 0 0 311.345 2.766 10 30 DEEERN C=CCSCCNC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000194506525 424877245 /nfs/dbraw/zinc/87/72/45/424877245.db2.gz SVAKRSJGKGJRPI-LBPRGKRZSA-N 0 0 307.419 2.232 10 30 DEEERN C=CCn1c(N)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000127524773 424856142 /nfs/dbraw/zinc/85/61/42/424856142.db2.gz BPXHFZBVRLMZSU-UHFFFAOYSA-N 0 0 303.391 2.086 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000573696337 424940325 /nfs/dbraw/zinc/94/03/25/424940325.db2.gz IAQJTRJYDYZWFW-AAEUAGOBSA-N 0 0 307.350 2.780 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NS(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000416623957 424958175 /nfs/dbraw/zinc/95/81/75/424958175.db2.gz ANZIVKMDBDOMFD-NUEKZKHPSA-N 0 0 309.431 2.271 10 30 DEEERN C=CCOc1ccccc1CNc1ccc(-c2nncn2C)cn1 ZINC000347882168 425015468 /nfs/dbraw/zinc/01/54/68/425015468.db2.gz PLYIMLPBBNWWBS-UHFFFAOYSA-N 0 0 321.384 3.054 10 30 DEEERN C=CC[C@@H](C)NC(=O)Nc1ccn([C@@H](CCC)C(=O)OCC)n1 ZINC000597031714 425030749 /nfs/dbraw/zinc/03/07/49/425030749.db2.gz SUHVHNLFXOPVHC-OLZOCXBDSA-N 0 0 322.409 2.874 10 30 DEEERN C=CCCSCCNC(=O)Nc1ccn(C2CCOCC2)n1 ZINC000597064122 425031366 /nfs/dbraw/zinc/03/13/66/425031366.db2.gz DEZHLPQOFHIBTG-UHFFFAOYSA-N 0 0 324.450 2.665 10 30 DEEERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc(F)c1C#N ZINC000188558544 267145146 /nfs/dbraw/zinc/14/51/46/267145146.db2.gz SFTMLGINFDIBPA-SNVBAGLBSA-N 0 0 306.337 2.500 10 30 DEEERN CN(CCC(=O)OC(C)(C)C)C(=O)Cc1cccc(C#N)c1 ZINC000531827663 267304166 /nfs/dbraw/zinc/30/41/66/267304166.db2.gz YHXDPGOKJAIRQL-UHFFFAOYSA-N 0 0 302.374 2.291 10 30 DEEERN COC[C@@H](Cc1ccccc1)NC(=O)Cc1cccc(C#N)c1 ZINC000530676801 267479244 /nfs/dbraw/zinc/47/92/44/267479244.db2.gz IQWCHUYDDJTBKM-GOSISDBHSA-N 0 0 308.381 2.475 10 30 DEEERN Cc1nc(C2(NC(=O)Cc3cccc(C#N)c3)CCCC2)no1 ZINC000531384400 268075910 /nfs/dbraw/zinc/07/59/10/268075910.db2.gz SGSHQBPFXHBICC-UHFFFAOYSA-N 0 0 310.357 2.378 10 30 DEEERN Cn1cc(NC(=O)Cc2cccc(C#N)c2)cc(Cl)c1=O ZINC000531626620 268129968 /nfs/dbraw/zinc/12/99/68/268129968.db2.gz YOZZAUPQSPOCHT-UHFFFAOYSA-N 0 0 301.733 2.092 10 30 DEEERN N#Cc1cccc(CC(=O)N2CCN(Cc3ccco3)CC2)c1 ZINC000530910732 268272950 /nfs/dbraw/zinc/27/29/50/268272950.db2.gz LYEZAYRVGJGJCB-UHFFFAOYSA-N 0 0 309.369 2.038 10 30 DEEERN N#Cc1cccc(CC(=O)NCCOc2ccc(Cl)cn2)c1 ZINC000531608860 268275756 /nfs/dbraw/zinc/27/57/56/268275756.db2.gz IXZFQADAWOWDII-UHFFFAOYSA-N 0 0 315.760 2.344 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cc3c(cccc3F)[nH]2)CCN1C1CC1 ZINC000377665541 274917510 /nfs/dbraw/zinc/91/75/10/274917510.db2.gz CFJNZFHTYWIPHJ-LBPRGKRZSA-N 0 0 312.348 2.119 10 30 DEEERN C=CCCCNC(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000448380321 275422774 /nfs/dbraw/zinc/42/27/74/275422774.db2.gz FGOHEUWLLKNMBP-HRCADAONSA-N 0 0 309.454 2.236 10 30 DEEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC(CO)CC1 ZINC000329690854 277245017 /nfs/dbraw/zinc/24/50/17/277245017.db2.gz BQDIHPPKDKXRJD-TZMCWYRMSA-N 0 0 311.426 2.138 10 30 DEEERN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC12CCC2 ZINC000435052788 277282133 /nfs/dbraw/zinc/28/21/33/277282133.db2.gz JSANEKFFUPYDMQ-UHFFFAOYSA-N 0 0 314.389 2.208 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC1(C(N)=O)C2CC3CC(C2)CC1C3 ZINC000458305754 277781578 /nfs/dbraw/zinc/78/15/78/277781578.db2.gz OOCPUBFLJXHBJH-NSVFZLEXSA-N 0 0 304.434 2.385 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1COc2ccccc21 ZINC000195271193 280759246 /nfs/dbraw/zinc/75/92/46/280759246.db2.gz URWSHEJPVQMLFZ-HNNXBMFYSA-N 0 0 321.336 2.055 10 30 DEEERN CNC(=O)Cc1nc(COc2cccc(F)c2C#N)cs1 ZINC000132205743 281983337 /nfs/dbraw/zinc/98/33/37/281983337.db2.gz KZFWHQSFLSYBPL-UHFFFAOYSA-N 0 0 305.334 2.021 10 30 DEEERN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N1CCc2cncnc2C1 ZINC000329326439 288937503 /nfs/dbraw/zinc/93/75/03/288937503.db2.gz JIDUUWARULMQJN-ZBEGNZNMSA-N 0 0 310.357 2.271 10 30 DEEERN Cc1cccn2c1ncc(C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)c2=O ZINC000091056683 292712187 /nfs/dbraw/zinc/71/21/87/292712187.db2.gz GRXIYYCPNRCWBP-KZULUSFZSA-N 0 0 324.384 2.205 10 30 DEEERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)[C@H]1CCCOC1 ZINC000329392375 289233435 /nfs/dbraw/zinc/23/34/35/289233435.db2.gz UDGQTXADXLJSHH-LJIGWXMPSA-N 0 0 310.438 2.343 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NC1CCC2(CCOCC2)CC1 ZINC000450074271 294147006 /nfs/dbraw/zinc/14/70/06/294147006.db2.gz MYAKMLMKFSNGEQ-UHFFFAOYSA-N 0 0 301.390 2.366 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000408340642 303159657 /nfs/dbraw/zinc/15/96/57/303159657.db2.gz OWYMGQLSJXDXRF-CPCISQLKSA-N 0 0 304.293 2.074 10 30 DEEERN N#C[C@@H]1CN(c2nnc(C3CC3)o2)C[C@]12C(=O)Nc1ccccc12 ZINC000329380143 303162642 /nfs/dbraw/zinc/16/26/42/303162642.db2.gz NFOIDMCECXHCLY-DIFFPNOSSA-N 0 0 321.340 2.446 10 30 DEEERN N#C[C@@H]1N(C[C@H](O)CC(F)(F)F)CCC[C@]12CCCCO2 ZINC000366074451 303164579 /nfs/dbraw/zinc/16/45/79/303164579.db2.gz ROXIYITZQZBOKK-FRRDWIJNSA-N 0 0 306.328 2.227 10 30 DEEERN N#Cc1cc(F)ccc1S(=O)(=O)N1CCOc2ccccc21 ZINC000130874490 303184278 /nfs/dbraw/zinc/18/42/78/303184278.db2.gz WXAJLYUPSGROCL-UHFFFAOYSA-N 0 0 318.329 2.285 10 30 DEEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)C1(N2CCOCC2)CCC1 ZINC000328707722 303508745 /nfs/dbraw/zinc/50/87/45/303508745.db2.gz QDQPRGSKURPMFU-CYBMUJFWSA-N 0 0 321.421 2.239 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccnn1CCC(C)C ZINC000533462544 331536329 /nfs/dbraw/zinc/53/63/29/331536329.db2.gz OTKBDENABPHWEX-UHFFFAOYSA-N 0 0 306.410 2.292 10 30 DEEERN CC(C)C[C@](C)(C#N)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533876147 332229320 /nfs/dbraw/zinc/22/93/20/332229320.db2.gz QZTKZJQALRLKTQ-OAHLLOKOSA-N 0 0 319.317 2.382 10 30 DEEERN CC(C)C(=O)N(C)Cc1ccc(C(=O)N[C@H](C#N)C2CC2)cc1 ZINC000119734366 332281829 /nfs/dbraw/zinc/28/18/29/332281829.db2.gz LEAOOWGWDYEEHB-MRXNPFEDSA-N 0 0 313.401 2.333 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cccnc1OCC ZINC000569986331 332699248 /nfs/dbraw/zinc/69/92/48/332699248.db2.gz SZLSEIWSHRPFHO-UHFFFAOYSA-N 0 0 305.378 2.281 10 30 DEEERN C=CCN(CCC#N)C(=O)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000580342426 335116816 /nfs/dbraw/zinc/11/68/16/335116816.db2.gz WNYUEHMSGHSEBW-UHFFFAOYSA-N 0 0 315.348 2.473 10 30 DEEERN N#Cc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1[O-] ZINC000188464924 333046852 /nfs/dbraw/zinc/04/68/52/333046852.db2.gz QLSYGJCMDNEPFS-MRXNPFEDSA-N 0 0 313.401 2.354 10 30 DEEERN C=CCC[C@H]1NC(=O)N([C@H]2CCc3cnn(C(C)C)c3C2)C1=O ZINC000582112434 333273167 /nfs/dbraw/zinc/27/31/67/333273167.db2.gz MZWFWCDZGPNELQ-UONOGXRCSA-N 0 0 316.405 2.208 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)C[C@@H]1CCOC[C@@H]1OC ZINC000296752418 335148204 /nfs/dbraw/zinc/14/82/04/335148204.db2.gz KUFNGJJIMZMGMC-HOCLYGCPSA-N 0 0 307.390 2.278 10 30 DEEERN CC#CCN(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000297137895 335148732 /nfs/dbraw/zinc/14/87/32/335148732.db2.gz CIVDWDIINXDLGW-CVEARBPZSA-N 0 0 321.371 2.375 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000366758094 334507669 /nfs/dbraw/zinc/50/76/69/334507669.db2.gz OCVIEJMWPGPWPP-ORDFZIBCSA-N 0 0 323.433 2.153 10 30 DEEERN C=CCSCCNC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000344183810 335228275 /nfs/dbraw/zinc/22/82/75/335228275.db2.gz TWJMHVIXJNKMPY-STQMWFEESA-N 0 0 300.468 2.344 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)NCCCc1cccc(F)c1 ZINC000345483624 335329056 /nfs/dbraw/zinc/32/90/56/335329056.db2.gz JTWMQWRWWCZTQL-UHFFFAOYSA-N 0 0 306.381 2.299 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cnc2ccccc2c1 ZINC000582177652 335725788 /nfs/dbraw/zinc/72/57/88/335725788.db2.gz VWYXGVBJLMQEAU-BBRMVZONSA-N 0 0 318.398 2.104 10 30 DEEERN C=CC(C)(C)C(=O)NC[C@@H](Cc1ccc(F)cc1C)C(=O)NC ZINC000520409325 335975489 /nfs/dbraw/zinc/97/54/89/335975489.db2.gz GCZAKCLUBATDAP-CQSZACIVSA-N 0 0 320.408 2.367 10 30 DEEERN C=CCOCCCC(=O)N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000361779506 336772724 /nfs/dbraw/zinc/77/27/24/336772724.db2.gz CJAIEHMMLPRODQ-AWEZNQCLSA-N 0 0 310.438 2.123 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000362619290 336806759 /nfs/dbraw/zinc/80/67/59/336806759.db2.gz ACEMTRFZKKEYRG-QEJZJMRPSA-N 0 0 302.374 2.111 10 30 DEEERN C#CCCCNC(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000177836108 337160575 /nfs/dbraw/zinc/16/05/75/337160575.db2.gz UYDDWVAVMNJINS-MRXNPFEDSA-N 0 0 302.374 2.192 10 30 DEEERN N#CC1(c2ccc(C(=O)N3CCC(n4cncn4)CC3)cc2)CC1 ZINC000180199817 337175264 /nfs/dbraw/zinc/17/52/64/337175264.db2.gz OCSMCXIZBWGTSX-UHFFFAOYSA-N 0 0 321.384 2.311 10 30 DEEERN C=CC[C@H](CO)CNC(=O)NC[C@@H]1CSc2ccccc2O1 ZINC000582961652 337218998 /nfs/dbraw/zinc/21/89/98/337218998.db2.gz IQCPBTXHTZWIJR-QWHCGFSZSA-N 0 0 322.430 2.024 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cccc2c(OC)ccnc12 ZINC000583243578 337285477 /nfs/dbraw/zinc/28/54/77/337285477.db2.gz NRGOMODRTNHANY-UHFFFAOYSA-N 0 0 313.357 2.264 10 30 DEEERN C=CCC1(C(=O)Nc2cccc3c2CCNC3=O)CCOCC1 ZINC000572871114 337457743 /nfs/dbraw/zinc/45/77/43/337457743.db2.gz YQGHCRIIVYRILE-UHFFFAOYSA-N 0 0 314.385 2.284 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC2)c1 ZINC000430388046 338106150 /nfs/dbraw/zinc/10/61/50/338106150.db2.gz XEYLTPJUIXKKPS-LSDHHAIUSA-N 0 0 300.358 2.105 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(O)c3)cc2C1=O ZINC000507327239 340217323 /nfs/dbraw/zinc/21/73/23/340217323.db2.gz BYZIBMVYUDTZNA-UHFFFAOYSA-N 0 0 322.320 2.427 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(C[C@@]2(C)COc3ccccc3O2)C1=O ZINC000530202758 340782463 /nfs/dbraw/zinc/78/24/63/340782463.db2.gz WRPNVKSKTGRUHF-SJCJKPOMSA-N 0 0 316.357 2.103 10 30 DEEERN CCOC(=O)C1(CNC(=O)N2CCC(C)(C#N)CC2)CCC1 ZINC000543723812 341055196 /nfs/dbraw/zinc/05/51/96/341055196.db2.gz ZWBGDBNOASFNFX-UHFFFAOYSA-N 0 0 307.394 2.055 10 30 DEEERN CC(=O)c1ccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)cc1Cl ZINC000132134716 341117012 /nfs/dbraw/zinc/11/70/12/341117012.db2.gz BQOFTUJFMFAUDR-SECBINFHSA-N 0 0 321.764 2.242 10 30 DEEERN CO[C@H](C)c1cccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)c1 ZINC000132347949 341121133 /nfs/dbraw/zinc/12/11/33/341121133.db2.gz CKJHHERYPSLXES-NWDGAFQWSA-N 0 0 303.362 2.093 10 30 DEEERN C=CCNS(=O)(=O)c1cccc(-c2nc([C@H]3C[C@H]3C)no2)c1 ZINC000547188783 341200470 /nfs/dbraw/zinc/20/04/70/341200470.db2.gz BHPARZHIVIOJLQ-MFKMUULPSA-N 0 0 319.386 2.324 10 30 DEEERN C=CCn1c(C(C)C)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC000548962999 341282391 /nfs/dbraw/zinc/28/23/91/341282391.db2.gz ZPRDLCBQZWKVON-ZDUSSCGKSA-N 0 0 300.410 2.315 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000549603457 341298606 /nfs/dbraw/zinc/29/86/06/341298606.db2.gz FDGAMKUUZCODRC-QGZVFWFLSA-N 0 0 317.437 2.084 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CC[C@@H](C2CC2)C1 ZINC000549685683 341300487 /nfs/dbraw/zinc/30/04/87/341300487.db2.gz RSHWCNHZTGXOMC-HUUCEWRRSA-N 0 0 318.421 2.178 10 30 DEEERN N#C[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000246821610 341357441 /nfs/dbraw/zinc/35/74/41/341357441.db2.gz KQJDCAGLWFTWLC-OUAUKWLOSA-N 0 0 308.740 2.334 10 30 DEEERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H](CCC#N)c1ccccc1 ZINC000248987398 341391343 /nfs/dbraw/zinc/39/13/43/341391343.db2.gz WPNIBFYBOXFPQK-CFVMTHIKSA-N 0 0 308.403 2.128 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000556246110 341499127 /nfs/dbraw/zinc/49/91/27/341499127.db2.gz XDJIDULYSIURQB-LZWOXQAQSA-N 0 0 320.389 2.000 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(C)sc1C ZINC000567721344 341629739 /nfs/dbraw/zinc/62/97/39/341629739.db2.gz HQEOBVUSCHDLRL-RYUDHWBXSA-N 0 0 301.433 2.234 10 30 DEEERN C=CCCCCCNC(=O)C1CCN(Cc2nccn2C)CC1 ZINC000568996588 341687766 /nfs/dbraw/zinc/68/77/66/341687766.db2.gz LMBKLHSTELWSQK-UHFFFAOYSA-N 0 0 318.465 2.495 10 30 DEEERN Cc1ccc(CCNC(=O)c2c[nH]nc2[C@H]2CCOC2)cn1 ZINC000328620586 341734957 /nfs/dbraw/zinc/73/49/57/341734957.db2.gz HBFCTBOYHXJQHT-ZDUSSCGKSA-N 0 0 300.362 2.164 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1C[C@](C)(OC)C1(C)C ZINC000574871476 341771378 /nfs/dbraw/zinc/77/13/78/341771378.db2.gz JQJOPHFOXDVOTH-WSMBLCCSSA-N 0 0 310.438 2.423 10 30 DEEERN C=CCCCNC(=O)N[C@H]1CCCc2cn(CCOC)nc21 ZINC000580617885 341887201 /nfs/dbraw/zinc/88/72/01/341887201.db2.gz VTFNWMCKRSLDCE-AWEZNQCLSA-N 0 0 306.410 2.172 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000372101875 533730010 /nfs/dbraw/zinc/73/00/10/533730010.db2.gz LNCUPOIKTZNZTQ-HNNXBMFYSA-N 0 0 309.373 2.071 10 30 DEEERN COC(=O)c1cc(NC(=O)c2cc(C#N)cn2C)c(F)cc1F ZINC000176629241 533887713 /nfs/dbraw/zinc/88/77/13/533887713.db2.gz PIOAHANULPCUAN-UHFFFAOYSA-N 0 0 319.267 2.214 10 30 DEEERN COc1ccc(F)cc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371415566 533952259 /nfs/dbraw/zinc/95/22/59/533952259.db2.gz DJTGUSVNKYHULL-ZDUSSCGKSA-N 0 0 318.352 2.038 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CC[C@H]([C@@H](O)C(F)(F)F)C1)OCC ZINC000456679193 534330821 /nfs/dbraw/zinc/33/08/21/534330821.db2.gz HCNICKMFLWOGGG-GMXVVIOVSA-N 0 0 309.328 2.129 10 30 DEEERN Cc1noc(C)c1CN1CCN(c2ccc(C)c(C#N)n2)CC1 ZINC000302617078 534358889 /nfs/dbraw/zinc/35/88/89/534358889.db2.gz GEPCPJITOUXKDW-UHFFFAOYSA-N 0 0 311.389 2.189 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457797557 534366390 /nfs/dbraw/zinc/36/63/90/534366390.db2.gz WEPZYFDFQGDMAD-XJKSGUPXSA-N 0 0 317.385 2.493 10 30 DEEERN C[C@@H]1CN([C@H](CNC(=O)C(C)(C)C#N)c2cccs2)CCO1 ZINC000246716118 534479724 /nfs/dbraw/zinc/47/97/24/534479724.db2.gz FWWUYFJMSGDGRJ-CHWSQXEVSA-N 0 0 321.446 2.176 10 30 DEEERN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000372760871 534483787 /nfs/dbraw/zinc/48/37/87/534483787.db2.gz LFSJMGOADJKVNJ-RRFJBIMHSA-N 0 0 315.442 2.359 10 30 DEEERN C=CCC1(C(=O)N2CCC(O)(C(=O)OCC)CC2)CCCC1 ZINC000449916198 534582287 /nfs/dbraw/zinc/58/22/87/534582287.db2.gz WCURUPDRHGNAQQ-UHFFFAOYSA-N 0 0 309.406 2.040 10 30 DEEERN COC(=O)c1cc(I)ccc1CC#N ZINC000035570087 521871556 /nfs/dbraw/zinc/87/15/56/521871556.db2.gz IXXBFXVOULAWEL-UHFFFAOYSA-N 0 0 301.083 2.144 10 30 DEEERN N#C[C@H]1COCCN1C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000183367256 534759288 /nfs/dbraw/zinc/75/92/88/534759288.db2.gz DKEIGFNDCXTZNE-MCIGGMRASA-N 0 0 304.312 2.496 10 30 DEEERN Cc1ccc(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc1C#N ZINC000366181880 524971669 /nfs/dbraw/zinc/97/16/69/524971669.db2.gz FHNLNPCXASOYJG-CQSZACIVSA-N 0 0 305.341 2.186 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)OCC(=O)N1CCCCCC1 ZINC000159169316 526193553 /nfs/dbraw/zinc/19/35/53/526193553.db2.gz LKDOZANJJIQRKL-UHFFFAOYSA-N 0 0 300.358 2.426 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCCCC(N)=O ZINC000338729208 526347009 /nfs/dbraw/zinc/34/70/09/526347009.db2.gz UPOVYLNGTXAKAZ-UHFFFAOYSA-N 0 0 319.361 2.155 10 30 DEEERN C=CCN(Cc1ncnn1CC)Cc1cccc([N+](=O)[O-])c1 ZINC000193319925 526382607 /nfs/dbraw/zinc/38/26/07/526382607.db2.gz YHICMMKKQLZULN-UHFFFAOYSA-N 0 0 301.350 2.394 10 30 DEEERN CC(=O)C1(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC000293017080 526388813 /nfs/dbraw/zinc/38/88/13/526388813.db2.gz HQYVHRAQXCJKCZ-UHFFFAOYSA-N 0 0 312.369 2.297 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)Cc2cccc(CC)c2)C1=O ZINC000337041176 526461629 /nfs/dbraw/zinc/46/16/29/526461629.db2.gz BEIJXKNDJQVJPY-MRXNPFEDSA-N 0 0 300.402 2.037 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)C/C=C\c2ccc(F)cc2)C1=O ZINC000341602442 526491214 /nfs/dbraw/zinc/49/12/14/526491214.db2.gz CFURJOAVMCGKRM-AWFCHZOYSA-N 0 0 316.376 2.474 10 30 DEEERN C=CCNC(=O)c1ccc(N2CC=C(c3ccnn3C)CC2)nc1 ZINC000286399143 526640550 /nfs/dbraw/zinc/64/05/50/526640550.db2.gz HIHHLEJLXLSUEJ-UHFFFAOYSA-N 0 0 323.400 2.025 10 30 DEEERN C=CCNC(=O)c1cccc(S(=O)(=O)NCC2(C)CCC2)c1 ZINC000427277590 526659275 /nfs/dbraw/zinc/65/92/75/526659275.db2.gz SIRGMBGMFBWIFS-UHFFFAOYSA-N 0 0 322.430 2.071 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccc(C(=O)N(CC)CC)cc1 ZINC000286956239 526673256 /nfs/dbraw/zinc/67/32/56/526673256.db2.gz AOQQNIBDSOBRKC-UHFFFAOYSA-N 0 0 324.424 2.448 10 30 DEEERN C#CCCCCC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000374233664 526688837 /nfs/dbraw/zinc/68/88/37/526688837.db2.gz YWBGVPQADPPWJZ-DOTOQJQBSA-N 0 0 312.413 2.486 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000188539261 526712941 /nfs/dbraw/zinc/71/29/41/526712941.db2.gz DZWFWYSQLRKXEG-GDZNZVCISA-N 0 0 311.422 2.452 10 30 DEEERN C=CCOCCCC(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000447667517 526744421 /nfs/dbraw/zinc/74/44/21/526744421.db2.gz DZEMGGRXFQABBM-UHFFFAOYSA-N 0 0 320.389 2.494 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCCc1cnc(C2CC2)nc1)OCC ZINC000339464938 526749351 /nfs/dbraw/zinc/74/93/51/526749351.db2.gz FROCAMYNYFDEPB-OAHLLOKOSA-N 0 0 303.406 2.384 10 30 DEEERN C=C(C)[C@@H](CC(=O)NC[C@@H]1COc2ccccc2O1)OCC ZINC000339433574 526749360 /nfs/dbraw/zinc/74/93/60/526749360.db2.gz NASYGVFLVNSXKE-CZUORRHYSA-N 0 0 305.374 2.314 10 30 DEEERN C#CCCS(=O)(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000377342029 526751651 /nfs/dbraw/zinc/75/16/51/526751651.db2.gz HDLVUERGRXUPLR-HNNXBMFYSA-N 0 0 321.446 2.318 10 30 DEEERN N#Cc1ccncc1N[C@H]1CCCN(c2ccccc2C(N)=O)C1 ZINC000364804213 526765069 /nfs/dbraw/zinc/76/50/69/526765069.db2.gz TWYZFXUZJOWINA-AWEZNQCLSA-N 0 0 321.384 2.133 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC(C)(C)c1noc(CC)n1 ZINC000442594111 526772976 /nfs/dbraw/zinc/77/29/76/526772976.db2.gz LDYXYHHPBGZTMP-YPMHNXCESA-N 0 0 322.409 2.148 10 30 DEEERN C=CCOCCNC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000369866858 526775521 /nfs/dbraw/zinc/77/55/21/526775521.db2.gz DGXOAPCOMIKTPK-QKPAOTATSA-N 0 0 310.438 2.160 10 30 DEEERN C=CCOCCNC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000374830590 526777574 /nfs/dbraw/zinc/77/75/74/526777574.db2.gz ZFOFOWFYXLRQHF-CJNGLKHVSA-N 0 0 322.380 2.500 10 30 DEEERN C=CCOCCNC(=O)NC1CCN(c2cccs2)CC1 ZINC000378600338 526777913 /nfs/dbraw/zinc/77/79/13/526777913.db2.gz YUAPZJAYVQFFTL-UHFFFAOYSA-N 0 0 309.435 2.219 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCNC[C@@H]2c2cccnc2)cc1 ZINC000262053759 526839321 /nfs/dbraw/zinc/83/93/21/526839321.db2.gz VDIZEFAALZUAKU-GOSISDBHSA-N 0 0 323.396 2.433 10 30 DEEERN C=CCOc1ccc(CNC(=O)N2CCNC[C@@](C)(F)C2)cc1 ZINC000418171960 526876307 /nfs/dbraw/zinc/87/63/07/526876307.db2.gz VYKACXNPQKINKK-QGZVFWFLSA-N 0 0 321.396 2.094 10 30 DEEERN C=C(Cl)CNC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000369486614 526888867 /nfs/dbraw/zinc/88/88/67/526888867.db2.gz SBHXMOQCIIFUNH-CYBMUJFWSA-N 0 0 307.781 2.234 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000375927000 526923695 /nfs/dbraw/zinc/92/36/95/526923695.db2.gz JMJLJYRYBQQZTK-SFHVURJKSA-N 0 0 317.385 2.273 10 30 DEEERN C=CC(C)(C)C(=O)N[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000448862940 526945857 /nfs/dbraw/zinc/94/58/57/526945857.db2.gz XCVLVOCNGYLRAP-GFCCVEGCSA-N 0 0 302.374 2.129 10 30 DEEERN C=CCSc1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000338195642 527008166 /nfs/dbraw/zinc/00/81/66/527008166.db2.gz XUBGDVKMXWJGGI-BETUJISGSA-N 0 0 305.399 2.205 10 30 DEEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1cc(OC)cc(OC)c1C ZINC000337500831 527019088 /nfs/dbraw/zinc/01/90/88/527019088.db2.gz KGZGPOSBESAPLJ-SNVBAGLBSA-N 0 0 306.362 2.032 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000338776590 527094621 /nfs/dbraw/zinc/09/46/21/527094621.db2.gz LMXGCZMFMRGVBT-FZMZJTMJSA-N 0 0 308.353 2.058 10 30 DEEERN C#CCOc1cccc(NC(=O)N[C@H](CC)[C@H](O)C(F)F)c1 ZINC000296681475 527124319 /nfs/dbraw/zinc/12/43/19/527124319.db2.gz PRUZBYDUUMXDJS-OLZOCXBDSA-N 0 0 312.316 2.225 10 30 DEEERN C=CC[C@H](C)NC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000186730077 527128271 /nfs/dbraw/zinc/12/82/71/527128271.db2.gz DFMJJHLLGDYZFJ-LBPRGKRZSA-N 0 0 303.410 2.083 10 30 DEEERN C#CCSCCNC(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000190820132 527145108 /nfs/dbraw/zinc/14/51/08/527145108.db2.gz QTCYUEQCJZCZAK-CQSZACIVSA-N 0 0 304.415 2.484 10 30 DEEERN C=CCCCCNC(=O)C(=O)Nc1cnc(C)nc1C1CC1 ZINC000411368402 527145227 /nfs/dbraw/zinc/14/52/27/527145227.db2.gz JCKARESHODRQSD-UHFFFAOYSA-N 0 0 302.378 2.073 10 30 DEEERN C=CCCCCNC(=O)N1C[C@H](OC)C[C@H]1CC(=O)OCC ZINC000369964130 527155320 /nfs/dbraw/zinc/15/53/20/527155320.db2.gz KMWSRQWIMQJOGO-UONOGXRCSA-N 0 0 312.410 2.095 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(CCO)CCCC ZINC000288106938 527159845 /nfs/dbraw/zinc/15/98/45/527159845.db2.gz IXNRWLHNPPBREZ-KRWDZBQOSA-N 0 0 302.418 2.425 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCOCC2(CC2)C1 ZINC000377257288 527160692 /nfs/dbraw/zinc/16/06/92/527160692.db2.gz WRCOVMUIYOTJOY-KRWDZBQOSA-N 0 0 312.413 2.443 10 30 DEEERN C=CC[C@H](CO)CNC(=O)NCCc1ccc2ccccc2n1 ZINC000341850902 527171826 /nfs/dbraw/zinc/17/18/26/527171826.db2.gz UONVHLMGVMVJAD-AWEZNQCLSA-N 0 0 313.401 2.261 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCc1nnc(C2CC2)o1 ZINC000288259875 527172664 /nfs/dbraw/zinc/17/26/64/527172664.db2.gz UBEPMUZACRHNJS-OAHLLOKOSA-N 0 0 324.384 2.381 10 30 DEEERN C#CC[C@H](NC(=O)C[C@H]1CCOC[C@H]1OC)c1ccccc1 ZINC000296625765 527174332 /nfs/dbraw/zinc/17/43/32/527174332.db2.gz VIGCDYVPAURVIF-IXDOHACOSA-N 0 0 301.386 2.309 10 30 DEEERN C=CCCCN(C)C(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC000417464634 527188209 /nfs/dbraw/zinc/18/82/09/527188209.db2.gz QWBHRLZBXRLUFB-HNNXBMFYSA-N 0 0 303.362 2.341 10 30 DEEERN C=CC[C@H](CO)CNS(=O)(=O)c1cccc(Cl)c1C ZINC000341203949 527188287 /nfs/dbraw/zinc/18/82/87/527188287.db2.gz TUKYLDWGTIIHMB-NSHDSACASA-N 0 0 303.811 2.111 10 30 DEEERN C=CCCCN(C)S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000193461092 527192937 /nfs/dbraw/zinc/19/29/37/527192937.db2.gz SLPHVDSRTITDBU-UHFFFAOYSA-N 0 0 309.431 2.392 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@@H]1CCO[C@H](C(CC)CC)C1 ZINC000361121975 527208183 /nfs/dbraw/zinc/20/81/83/527208183.db2.gz XIOXOHYTFCNJKU-CABCVRRESA-N 0 0 310.438 2.169 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000448377440 527209634 /nfs/dbraw/zinc/20/96/34/527209634.db2.gz SIODDDWOTAEYTN-UHFFFAOYSA-N 0 0 316.336 2.032 10 30 DEEERN C=CCCCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000448028170 527218685 /nfs/dbraw/zinc/21/86/85/527218685.db2.gz CGMJACNCHOHYDE-UHFFFAOYSA-N 0 0 318.377 2.393 10 30 DEEERN C=CCCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000447932450 527234096 /nfs/dbraw/zinc/23/40/96/527234096.db2.gz RYXHIOHJJICVNY-UHFFFAOYSA-N 0 0 304.755 2.493 10 30 DEEERN C=CCc1cc(C(=O)Nc2nccn2C)cc(OC)c1OC ZINC000412736957 527234549 /nfs/dbraw/zinc/23/45/49/527234549.db2.gz PGXPGAFXVBIIDR-UHFFFAOYSA-N 0 0 301.346 2.418 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N1CCNC[C@H]1c1cccnc1 ZINC000417992313 527262977 /nfs/dbraw/zinc/26/29/77/527262977.db2.gz WMQAHESECDHJBX-ZBFHGGJFSA-N 0 0 302.422 2.482 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN2C[C@H](C(N)=O)CC[C@H]2C)c1C ZINC000247337725 527296289 /nfs/dbraw/zinc/29/62/89/527296289.db2.gz NJPAODFPVJNLGH-IUODEOHRSA-N 0 0 317.433 2.059 10 30 DEEERN C=CCCN(C)S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000342097587 527322532 /nfs/dbraw/zinc/32/25/32/527322532.db2.gz KZHYXVVYJVUXAL-UHFFFAOYSA-N 0 0 317.794 2.323 10 30 DEEERN C=CCCOCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000343299576 527342051 /nfs/dbraw/zinc/34/20/51/527342051.db2.gz GPRQUTLVLAVNOY-LSDHHAIUSA-N 0 0 310.438 2.026 10 30 DEEERN C=CCCOCCNC(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375732911 527351853 /nfs/dbraw/zinc/35/18/53/527351853.db2.gz KRPOMYIGXJRINW-CYBMUJFWSA-N 0 0 320.393 2.039 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCCC(C)(C)C1 ZINC000282161370 527353133 /nfs/dbraw/zinc/35/31/33/527353133.db2.gz CXFVFTJOANEKRV-ZDUSSCGKSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCCOCCNC(=O)c1ccnc(N2CC[C@@H](C)C2)c1 ZINC000339859044 527364759 /nfs/dbraw/zinc/36/47/59/527364759.db2.gz LXIASMKRPUBUOS-CQSZACIVSA-N 0 0 303.406 2.250 10 30 DEEERN CC(=O)c1cccc(OC[C@@H](O)CN(C[C@H](C)C#N)C2CC2)c1 ZINC000338364453 527378339 /nfs/dbraw/zinc/37/83/39/527378339.db2.gz ZEKHJNPVTAFFBL-DYVFJYSZSA-N 0 0 316.401 2.253 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1Cc2cnnn2Cc2ccccc21 ZINC000189036549 527395102 /nfs/dbraw/zinc/39/51/02/527395102.db2.gz OOOSPSMBDMWWRC-CYBMUJFWSA-N 0 0 312.373 2.154 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H](OCC)C12CCOCC2 ZINC000187140472 527402713 /nfs/dbraw/zinc/40/27/13/527402713.db2.gz RSOYQUQYCXMMTM-ILXRZTDVSA-N 0 0 311.422 2.058 10 30 DEEERN C=C[C@@H](CC(=O)NCCCN1CCCC1=O)c1ccccc1 ZINC000121670644 527421371 /nfs/dbraw/zinc/42/13/71/527421371.db2.gz CULMOFOAJBTABE-HNNXBMFYSA-N 0 0 300.402 2.475 10 30 DEEERN C#Cc1cccc(NC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000365622214 527457409 /nfs/dbraw/zinc/45/74/09/527457409.db2.gz TWNXDOVCHBGIPL-INIZCTEOSA-N 0 0 323.400 2.192 10 30 DEEERN C#Cc1ccccc1CC(=O)NCc1cccnc1-n1ccnc1 ZINC000377658263 527464113 /nfs/dbraw/zinc/46/41/13/527464113.db2.gz ZNTUVEGFHVTTHS-UHFFFAOYSA-N 0 0 316.364 2.108 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](C)NC(=O)C1CCCCC1 ZINC000424935799 527493084 /nfs/dbraw/zinc/49/30/84/527493084.db2.gz ZFBDSVYPINJVGW-KBMXLJTQSA-N 0 0 322.449 2.169 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccnc(OC(C)C)c1 ZINC000425569316 527495102 /nfs/dbraw/zinc/49/51/02/527495102.db2.gz YLUVMBOWMIEWKE-GJZGRUSLSA-N 0 0 319.405 2.259 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000188245952 527529586 /nfs/dbraw/zinc/52/95/86/527529586.db2.gz FJEUQPXACZEOPK-SFHVURJKSA-N 0 0 317.433 2.395 10 30 DEEERN C=C[C@H](CC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccccc1 ZINC000340185348 527578200 /nfs/dbraw/zinc/57/82/00/527578200.db2.gz CBCANGFIBPRNRI-MUIFIZLQSA-N 0 0 312.413 2.472 10 30 DEEERN C=CCN(C)c1nnc(CCc2ccco2)n1C[C@H]1CCCO1 ZINC000339013633 527579051 /nfs/dbraw/zinc/57/90/51/527579051.db2.gz OJRIZSMUFDEVGD-OAHLLOKOSA-N 0 0 316.405 2.458 10 30 DEEERN C=CCN(C)c1nnc(-c2ncccc2C)n1C[C@@H]1CCOC1 ZINC000339177049 527579302 /nfs/dbraw/zinc/57/93/02/527579302.db2.gz YWWNDTMVSOBBSH-AWEZNQCLSA-N 0 0 313.405 2.307 10 30 DEEERN C=CCN(CC=C)C(=O)CN1CCO[C@H](c2nc(C)cs2)C1 ZINC000195392342 527612330 /nfs/dbraw/zinc/61/23/30/527612330.db2.gz NQMJMSFJMQUJHA-AWEZNQCLSA-N 0 0 321.446 2.025 10 30 DEEERN CC(C)CC(C)(C)CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000370228927 527677114 /nfs/dbraw/zinc/67/71/14/527677114.db2.gz VJBVFWGOIIDCNB-OAHLLOKOSA-N 0 0 306.454 2.440 10 30 DEEERN CCC[C@H](CCCS(C)(=O)=O)C(=O)Nc1cc(C#N)ccn1 ZINC000448398666 528116150 /nfs/dbraw/zinc/11/61/50/528116150.db2.gz VFRFFYMSBPSUEF-CYBMUJFWSA-N 0 0 323.418 2.133 10 30 DEEERN CCN(C[C@H](C)C#N)S(=O)(=O)NC1CCC(C)(C)CC1 ZINC000407958908 528710975 /nfs/dbraw/zinc/71/09/75/528710975.db2.gz UBLOBRKBGOSRPD-GFCCVEGCSA-N 0 0 301.456 2.271 10 30 DEEERN CCOCCO[C@H]1CCN(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000440999190 528830475 /nfs/dbraw/zinc/83/04/75/528830475.db2.gz KRFBUSOBAZBULY-GPANFISMSA-N 0 0 323.437 2.153 10 30 DEEERN CC[C@@H]1CCC[C@@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000377792376 529303984 /nfs/dbraw/zinc/30/39/84/529303984.db2.gz NXEFJNFLWWFDAT-FMKPAKJESA-N 0 0 304.438 2.337 10 30 DEEERN CC(C)Oc1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)c(F)c1 ZINC000359718747 535009380 /nfs/dbraw/zinc/00/93/80/535009380.db2.gz QTCBEXBHIOAATA-SNVBAGLBSA-N 0 0 317.324 2.276 10 30 DEEERN CC[C@H](C)[C@H](C)NC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000194463629 535936660 /nfs/dbraw/zinc/93/66/60/535936660.db2.gz MKYWKLUFUQIYDL-KBPBESRZSA-N 0 0 315.421 2.219 10 30 DEEERN COC(=O)[C@H](C1CC1)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000359601940 536647121 /nfs/dbraw/zinc/64/71/21/536647121.db2.gz UFLYFCGGJCFYBW-KRWDZBQOSA-N 0 0 314.385 2.353 10 30 DEEERN C#CC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685962170 563961458 /nfs/dbraw/zinc/96/14/58/563961458.db2.gz XGDKYUXRXZGKST-HNNXBMFYSA-N 0 0 316.401 2.214 10 30 DEEERN C=C[C@H](C)OC(=O)CCCn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000187514571 622815921 /nfs/dbraw/zinc/81/59/21/622815921.db2.gz SKWFRKWNEWFWJC-JTQLQIEISA-N 0 0 320.301 2.401 10 30 DEEERN COc1ccc(O)c(/C=N\C2CCN(C(=O)C(C)C)CC2)c1 ZINC000255051583 623157528 /nfs/dbraw/zinc/15/75/28/623157528.db2.gz XXGUQADCWNOFKJ-WQRHYEAKSA-N 0 0 304.390 2.467 10 30 DEEERN Cc1nn(CCC#N)c(C)c1CCC(=O)OC[C@]1(C)CCCO1 ZINC000177245838 623454245 /nfs/dbraw/zinc/45/42/45/623454245.db2.gz BXRDXUHXAXAPHL-KRWDZBQOSA-N 0 0 319.405 2.459 10 30 DEEERN CCN(C)C(=O)c1cccc(OC(=O)c2cc(C#N)cn2C)c1 ZINC000177368617 623461013 /nfs/dbraw/zinc/46/10/13/623461013.db2.gz MWMSXEBPWGKISI-UHFFFAOYSA-N 0 0 311.341 2.208 10 30 DEEERN Cc1ccc2[nH]cc(CCC(=O)[C@H](C#N)C(=O)NC3CC3)c2c1 ZINC000177600686 623471130 /nfs/dbraw/zinc/47/11/30/623471130.db2.gz OHCFFUCLLNUXGC-HNNXBMFYSA-N 0 0 309.369 2.396 10 30 DEEERN N#Cc1ccc(Oc2ccc(OC(=O)[C@@H]3CNC(=O)C3)cc2)cc1 ZINC000175818232 623521082 /nfs/dbraw/zinc/52/10/82/623521082.db2.gz FJBBTRUBTBAZAF-ZDUSSCGKSA-N 0 0 322.320 2.392 10 30 DEEERN CCCCCCCCOC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000255326342 624166432 /nfs/dbraw/zinc/16/64/32/624166432.db2.gz YRJRFGGSDOBLIL-KHPPLWFESA-N 0 0 322.405 2.001 10 30 DEEERN C=CCN(CC(=O)OCC)S(=O)(=O)/C=C\c1ccccc1 ZINC000255360662 624191772 /nfs/dbraw/zinc/19/17/72/624191772.db2.gz IBOHCAMRFDXPQO-BENRWUELSA-N 0 0 309.387 2.038 10 30 DEEERN CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C#N)cn2C)cc1 ZINC000176091847 624623790 /nfs/dbraw/zinc/62/37/90/624623790.db2.gz HWEWUBKFMMFYHN-OAHLLOKOSA-N 0 0 320.352 2.420 10 30 DEEERN C#CC[C@H](OC(=O)CCOC1CCOCC1)c1ccccn1 ZINC000084694234 624787501 /nfs/dbraw/zinc/78/75/01/624787501.db2.gz HKEVELOBFYESEY-INIZCTEOSA-N 0 0 303.358 2.275 10 30 DEEERN C#CCCNC(=O)Nc1ccccc1I ZINC000733615353 633246971 /nfs/dbraw/zinc/24/69/71/633246971.db2.gz PJADGRYHDVCMSV-UHFFFAOYSA-N 0 0 314.126 2.436 10 30 DEEERN C#CCCNC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000733639576 633254459 /nfs/dbraw/zinc/25/44/59/633254459.db2.gz GCRYYIZDPLRQQD-UHFFFAOYSA-N 0 0 314.172 2.254 10 30 DEEERN N#Cc1ccc(CNC(=O)c2csc3cncn32)c(F)c1 ZINC000733934239 633298647 /nfs/dbraw/zinc/29/86/47/633298647.db2.gz IBZAQEAXPMFJRP-UHFFFAOYSA-N 0 0 300.318 2.337 10 30 DEEERN C=C(COC(=O)c1cccnc1OCC(C)C)C(=O)OCC ZINC000734031378 633313572 /nfs/dbraw/zinc/31/35/72/633313572.db2.gz UBPJKTSTVCNLJN-UHFFFAOYSA-N 0 0 307.346 2.393 10 30 DEEERN C=C(COC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)OCC ZINC000734023246 633317047 /nfs/dbraw/zinc/31/70/47/633317047.db2.gz OKOWZFJFUUITDW-UHFFFAOYSA-N 0 0 321.354 2.007 10 30 DEEERN N#C[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CC2)CCN1C1CC1 ZINC000734327149 633357296 /nfs/dbraw/zinc/35/72/96/633357296.db2.gz SPTOQBUHIKKXDM-MRXNPFEDSA-N 0 0 313.376 2.056 10 30 DEEERN Cc1nnc(SCc2cc(Cl)ccc2OCC#N)n1N ZINC000735230820 633488138 /nfs/dbraw/zinc/48/81/38/633488138.db2.gz JKPJTYRTGNIPCK-UHFFFAOYSA-N 0 0 309.782 2.148 10 30 DEEERN CN(CCN1CCCC1=O)Cc1cc(Cl)ccc1OCC#N ZINC000735310745 633501315 /nfs/dbraw/zinc/50/13/15/633501315.db2.gz DQLPERGONSWNFX-UHFFFAOYSA-N 0 0 321.808 2.297 10 30 DEEERN Cc1nnc([C@H]2OCC[C@H]2CNc2ncc(C#N)cc2Cl)[nH]1 ZINC000888094292 635500019 /nfs/dbraw/zinc/50/00/19/635500019.db2.gz ILBFUKBZFBCBOH-JQWIXIFHSA-N 0 0 318.768 2.223 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NC[C@@H](O)c1ccccc1OC ZINC000188435549 636256030 /nfs/dbraw/zinc/25/60/30/636256030.db2.gz ANYBWHYYINCOMR-PBHICJAKSA-N 0 0 307.390 2.074 10 30 DEEERN C=CCCCN(C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000076664732 636664895 /nfs/dbraw/zinc/66/48/95/636664895.db2.gz IRLSPEKLULHLOY-UHFFFAOYSA-N 0 0 303.318 2.046 10 30 DEEERN C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](Sc1ccccc1)C(C)C ZINC000727212343 637781960 /nfs/dbraw/zinc/78/19/60/637781960.db2.gz IHYGUBXXFCZBPH-HIFRSBDPSA-N 0 0 319.426 2.484 10 30 DEEERN N#Cc1cccc(CC(=O)OCC(=O)NCc2cccs2)c1 ZINC000750429024 638119765 /nfs/dbraw/zinc/11/97/65/638119765.db2.gz AMIAAHDWUAGNRU-UHFFFAOYSA-N 0 0 314.366 2.022 10 30 DEEERN N#C[C@@H]1CN(C(=O)Nc2c(F)cc(F)cc2F)CCN1C1CC1 ZINC000743222952 638126959 /nfs/dbraw/zinc/12/69/59/638126959.db2.gz YBCQVLWWBUXDNT-LLVKDONJSA-N 0 0 324.306 2.308 10 30 DEEERN C#CCOc1ccc(C(=O)O[C@@H](CC(C)C)C(=O)OC)cc1 ZINC000744158912 638196505 /nfs/dbraw/zinc/19/65/05/638196505.db2.gz LYVLNRRGHJMYDD-HNNXBMFYSA-N 0 0 304.342 2.443 10 30 DEEERN C=C(C)CCOC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000744304625 638207921 /nfs/dbraw/zinc/20/79/21/638207921.db2.gz UBGCCSIIBYDUCD-LLVKDONJSA-N 0 0 322.317 2.302 10 30 DEEERN C=C(C)CN(CC)C(=O)COC(=O)c1c(O)cc(F)cc1F ZINC000745522264 638269512 /nfs/dbraw/zinc/26/95/12/638269512.db2.gz AJVLRUQACSEBAB-UHFFFAOYSA-N 0 0 313.300 2.252 10 30 DEEERN CCn1cnc2c1ncnc2NCc1ccc(OC)c(C#N)c1 ZINC000746711320 638372032 /nfs/dbraw/zinc/37/20/32/638372032.db2.gz SXEVBGIIIOJDEM-UHFFFAOYSA-N 0 0 308.345 2.339 10 30 DEEERN COc1ccc(CNC(=O)Cn2ncc3ccccc32)cc1C#N ZINC000746869031 638382380 /nfs/dbraw/zinc/38/23/80/638382380.db2.gz PEEXHGKEAYBYCU-UHFFFAOYSA-N 0 0 320.352 2.233 10 30 DEEERN COc1ccc(CNC(=O)/C=C\c2cncc(F)c2)cc1C#N ZINC000747079787 638405620 /nfs/dbraw/zinc/40/56/20/638405620.db2.gz MEFKVEUDILMQSW-HYXAFXHYSA-N 0 0 311.316 2.431 10 30 DEEERN COc1ccc(CNC(=O)/C=C/c2cncc(F)c2)cc1C#N ZINC000747079785 638405878 /nfs/dbraw/zinc/40/58/78/638405878.db2.gz MEFKVEUDILMQSW-HWKANZROSA-N 0 0 311.316 2.431 10 30 DEEERN COc1ccc(CNC(=O)CCc2c(C)n[nH]c2C)cc1C#N ZINC000747447239 638438697 /nfs/dbraw/zinc/43/86/97/638438697.db2.gz ZLLUTNDCHMYFSL-UHFFFAOYSA-N 0 0 312.373 2.156 10 30 DEEERN COc1ccc(CNC(=O)c2cccc3n[nH]cc32)cc1C#N ZINC000747446992 638438730 /nfs/dbraw/zinc/43/87/30/638438730.db2.gz QBUDVAJDTHATSF-UHFFFAOYSA-N 0 0 306.325 2.373 10 30 DEEERN COc1ccc(CNC(=O)c2cc(F)ccc2O)cc1C#N ZINC000747614988 638454376 /nfs/dbraw/zinc/45/43/76/638454376.db2.gz WRQHQFWTGFGNHW-UHFFFAOYSA-N 0 0 300.289 2.342 10 30 DEEERN COc1ccc(-c2nc(COC(=O)c3cc(C#N)c[nH]3)no2)cc1 ZINC000748227675 638532411 /nfs/dbraw/zinc/53/24/11/638532411.db2.gz RUUNFGPEDBLNHC-UHFFFAOYSA-N 0 0 324.296 2.302 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccc(-n3ccnc3)nc2)c1 ZINC000749319900 638635034 /nfs/dbraw/zinc/63/50/34/638635034.db2.gz VJDMTPHGWMQMJW-UHFFFAOYSA-N 0 0 303.325 2.320 10 30 DEEERN COCC(=O)Nc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000749318482 638635084 /nfs/dbraw/zinc/63/50/84/638635084.db2.gz AEYHBWDOWDANNX-UHFFFAOYSA-N 0 0 323.352 2.324 10 30 DEEERN Cc1ccc(CNC(=O)COC(=O)Cc2cccc(C#N)c2)cc1 ZINC000750431525 638743766 /nfs/dbraw/zinc/74/37/66/638743766.db2.gz WWQXZXDLRCIICM-UHFFFAOYSA-N 0 0 322.364 2.269 10 30 DEEERN C[C@@H](CNS(=O)(=O)c1cccc(F)c1C#N)c1ccncc1 ZINC000751482250 639087225 /nfs/dbraw/zinc/08/72/25/639087225.db2.gz GSAYOLQOTBSNQT-NSHDSACASA-N 0 0 319.361 2.174 10 30 DEEERN C#CCCNC(=O)N[C@@H](CC(=O)OC)c1ccc(Cl)cc1 ZINC000752015545 639146435 /nfs/dbraw/zinc/14/64/35/639146435.db2.gz XSTYRPWVMZGXLY-ZDUSSCGKSA-N 0 0 308.765 2.267 10 30 DEEERN C#CCN(CC#C)CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000752077037 639153646 /nfs/dbraw/zinc/15/36/46/639153646.db2.gz XGRIGTSNGDLQNX-MRXNPFEDSA-N 0 0 308.425 2.311 10 30 DEEERN C#CCCCS(=O)(=O)NCc1ccccc1OC1CCC1 ZINC000805007478 639159899 /nfs/dbraw/zinc/15/98/99/639159899.db2.gz SKUAOCKVPYIFNX-UHFFFAOYSA-N 0 0 307.415 2.451 10 30 DEEERN N#Cc1cccc(CC(=O)NC[C@@]2(O)CCc3ccccc32)c1 ZINC000752554120 639196779 /nfs/dbraw/zinc/19/67/79/639196779.db2.gz GQEOKNZFEZXJIR-IBGZPJMESA-N 0 0 306.365 2.051 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)NCC[C@@H]1CCOC1 ZINC000752661616 639206340 /nfs/dbraw/zinc/20/63/40/639206340.db2.gz WGOLPPSZMXXRLM-GFCCVEGCSA-N 0 0 306.337 2.386 10 30 DEEERN Cc1cc(N)cc(C)c1C=[NH+][N-]c1ccc(-n2cccn2)nn1 ZINC000752727824 639211966 /nfs/dbraw/zinc/21/19/66/639211966.db2.gz TUGAFOSKIJFTRH-UHFFFAOYSA-N 0 0 307.361 2.307 10 30 DEEERN C#CCCNC(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000805112192 639755577 /nfs/dbraw/zinc/75/55/77/639755577.db2.gz HJMZHMPKSVBITH-GFCCVEGCSA-N 0 0 300.280 2.061 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccc(C(=O)OC)c(C)c1)C(C)(C)C ZINC000805147088 639840552 /nfs/dbraw/zinc/84/05/52/639840552.db2.gz RFOHPSDFFRLPRL-AWEZNQCLSA-N 0 0 323.414 2.108 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000805146676 639841034 /nfs/dbraw/zinc/84/10/34/639841034.db2.gz JIJZHVINHLXXKV-CYBMUJFWSA-N 0 0 310.375 2.229 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1)C(C)(C)C ZINC000805148645 639848128 /nfs/dbraw/zinc/84/81/28/639848128.db2.gz INYPVASYRISURS-JTQLQIEISA-N 0 0 320.336 2.427 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000321784903 640385000 /nfs/dbraw/zinc/38/50/00/640385000.db2.gz SQSUECGIWDUXCO-UHFFFAOYSA-N 0 0 314.341 2.132 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCn2ccnc2C1 ZINC000805310419 640810722 /nfs/dbraw/zinc/81/07/22/640810722.db2.gz MQRMWZPGCSKFRV-IRXDYDNUSA-N 0 0 322.412 2.132 10 30 DEEERN C#CCN1CCC[C@H]1COC(=O)c1ccc(OC(C)C)nc1 ZINC000729812007 640844458 /nfs/dbraw/zinc/84/44/58/640844458.db2.gz IZGVCXIFWGPJCZ-HNNXBMFYSA-N 0 0 302.374 2.123 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)CCc1ccccc1OCC ZINC000729878053 640849421 /nfs/dbraw/zinc/84/94/21/640849421.db2.gz ROOUGKQQNZGTAL-ZDUSSCGKSA-N 0 0 305.374 2.252 10 30 DEEERN C=CCNC(=O)[C@@H](C)OC(=O)CCc1ccccc1OCC ZINC000729878052 640849455 /nfs/dbraw/zinc/84/94/55/640849455.db2.gz ROOUGKQQNZGTAL-CYBMUJFWSA-N 0 0 305.374 2.252 10 30 DEEERN CCc1n[nH]cc1C(=O)OCCOc1ccc(C#N)cc1OC ZINC000805395953 641305546 /nfs/dbraw/zinc/30/55/46/641305546.db2.gz DYUCKHMZGHDMEE-UHFFFAOYSA-N 0 0 315.329 2.088 10 30 DEEERN C#Cc1ccc(C(=O)NCCOc2ccc(F)cc2F)cn1 ZINC000730184253 641591579 /nfs/dbraw/zinc/59/15/79/641591579.db2.gz UNDZXNRLGMRARL-UHFFFAOYSA-N 0 0 302.280 2.150 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1c[nH]cc2nc(C(F)(F)F)nc1-2 ZINC000900944166 642526087 /nfs/dbraw/zinc/52/60/87/642526087.db2.gz IARPKFSZWFCJJU-IONNQARKSA-N 0 0 323.278 2.399 10 30 DEEERN Cc1nc2c(nccc2C(=O)N(C)Cc2ccc(C#N)cc2)[nH]1 ZINC000436093186 643047067 /nfs/dbraw/zinc/04/70/67/643047067.db2.gz ZHNLHJZZVHGSCT-UHFFFAOYSA-N 0 0 305.341 2.410 10 30 DEEERN COC(=O)c1ccoc1C(=O)OCc1ccc(F)cc1C#N ZINC000800266068 645248326 /nfs/dbraw/zinc/24/83/26/645248326.db2.gz WZEJZZCIHHMMQA-UHFFFAOYSA-N 0 0 303.245 2.434 10 30 DEEERN C=CCCO[C@@H](C)C(=O)Nc1ccc(OCC)cc1C(N)=O ZINC000129285143 645274463 /nfs/dbraw/zinc/27/44/63/645274463.db2.gz OBBSRPJAYYJEFF-NSHDSACASA-N 0 0 306.362 2.104 10 30 DEEERN N#C[C@@H]1CN(C(=O)Cc2ccc(Cl)s2)CCN1C1CC1 ZINC000800888164 645316893 /nfs/dbraw/zinc/31/68/93/645316893.db2.gz RQZPBVLESOAKLC-LLVKDONJSA-N 0 0 309.822 2.143 10 30 DEEERN N#Cc1cccc(CC(=O)OCc2ncnn2-c2ccccc2)c1 ZINC000801278858 645367082 /nfs/dbraw/zinc/36/70/82/645367082.db2.gz QFVVEYXMABTCED-UHFFFAOYSA-N 0 0 318.336 2.425 10 30 DEEERN N#CCOc1cccc(NC(=O)N2CCO[C@@H](C(F)F)C2)c1 ZINC000801616917 645424103 /nfs/dbraw/zinc/42/41/03/645424103.db2.gz ICVMBDBESKQUNG-GFCCVEGCSA-N 0 0 311.288 2.087 10 30 DEEERN CCn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000801845625 645449149 /nfs/dbraw/zinc/44/91/49/645449149.db2.gz ORXZBTGWVMGZIG-AWEZNQCLSA-N 0 0 316.453 2.063 10 30 DEEERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCCO[C@@H](C)C#N ZINC000801855227 645451155 /nfs/dbraw/zinc/45/11/55/645451155.db2.gz CEBACWSZNVDVPM-ZKQHCESOSA-N 0 0 304.302 2.470 10 30 DEEERN C=CCNC(=O)COC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000801908855 645459514 /nfs/dbraw/zinc/45/95/14/645459514.db2.gz XRMXYDLZSVSPRD-ZDUSSCGKSA-N 0 0 317.385 2.474 10 30 DEEERN C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@H](C)[C@@H](F)C2)c(F)c1 ZINC000802565513 645534980 /nfs/dbraw/zinc/53/49/80/645534980.db2.gz YNARYSPSKVPYPX-ZANVPECISA-N 0 0 324.302 2.091 10 30 DEEERN C#C[C@H](C)Oc1ccc(COC(=O)[C@@H](C)CC(=O)OC)cc1 ZINC000802811849 645562457 /nfs/dbraw/zinc/56/24/57/645562457.db2.gz QKKQCJRTRFXSEZ-STQMWFEESA-N 0 0 304.342 2.330 10 30 DEEERN C#CCn1c(-c2cnn(C)n2)csc1=Nc1ccc(F)cc1 ZINC000803164464 645614404 /nfs/dbraw/zinc/61/44/04/645614404.db2.gz MNMXVUJLONBAAN-UHFFFAOYSA-N 0 0 313.361 2.350 10 30 DEEERN CNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC12OCCO2 ZINC000803309522 645634405 /nfs/dbraw/zinc/63/44/05/645634405.db2.gz ZDKYKBDBKLWCCG-LBPRGKRZSA-N 0 0 301.346 2.082 10 30 DEEERN C=C(C)CCOC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000803363339 645640470 /nfs/dbraw/zinc/64/04/70/645640470.db2.gz JTHOLDGOBWTJHK-CQSZACIVSA-N 0 0 301.342 2.015 10 30 DEEERN C=C(C)CCOC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000803404347 645647465 /nfs/dbraw/zinc/64/74/65/645647465.db2.gz MSFBGVFYEBGNPE-UHFFFAOYSA-N 0 0 321.757 2.250 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc2n(n1)CCCO2 ZINC000803522044 645667471 /nfs/dbraw/zinc/66/74/71/645667471.db2.gz WDEDIDPYWCQKNK-HNNXBMFYSA-N 0 0 309.369 2.030 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000803697513 645680712 /nfs/dbraw/zinc/68/07/12/645680712.db2.gz IFKSCJSFBCWKQO-UHFFFAOYSA-N 0 0 319.288 2.449 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N(CC)C1CCCCC1 ZINC000803698277 645681759 /nfs/dbraw/zinc/68/17/59/645681759.db2.gz LABDRSLAJHFQPN-UHFFFAOYSA-N 0 0 303.402 2.374 10 30 DEEERN C=C(COC(=O)c1[nH]c2ccccc2c1OC)C(=O)OCC ZINC000803818600 645700545 /nfs/dbraw/zinc/70/05/45/645700545.db2.gz YRFCRXJYOMTGTO-UHFFFAOYSA-N 0 0 303.314 2.453 10 30 DEEERN C=C(COC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)OCC ZINC000803922386 645717479 /nfs/dbraw/zinc/71/74/79/645717479.db2.gz KEHFVKVQOPCDCK-UHFFFAOYSA-N 0 0 317.316 2.391 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)Nc1ncc(-c2cccnc2)s1 ZINC000804224173 645742019 /nfs/dbraw/zinc/74/20/19/645742019.db2.gz MENHLUZWKKLOKR-ZDUSSCGKSA-N 0 0 312.398 2.241 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)OC[C@@H]1CCCO1 ZINC000804452147 645773203 /nfs/dbraw/zinc/77/32/03/645773203.db2.gz DDXIYNURUCTERX-JQHSSLGASA-N 0 0 315.413 2.321 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCCCC(=O)NC ZINC000804453184 645773238 /nfs/dbraw/zinc/77/32/38/645773238.db2.gz VFCTVHBWXNJZQR-INIZCTEOSA-N 0 0 300.402 2.044 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](O)c1cccc(OC)c1 ZINC000804458204 645774244 /nfs/dbraw/zinc/77/42/44/645774244.db2.gz INWHIDSEGQMOLF-PKOBYXMFSA-N 0 0 323.392 2.479 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C)cn(C)c1=O ZINC000806356025 645821493 /nfs/dbraw/zinc/82/14/93/645821493.db2.gz GTDPODVRMBMJAN-INIZCTEOSA-N 0 0 323.396 2.450 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](CC(=O)OC)c1cccs1 ZINC000806370398 645823679 /nfs/dbraw/zinc/82/36/79/645823679.db2.gz WYVNBLMKEUBSPR-ZDUSSCGKSA-N 0 0 303.383 2.131 10 30 DEEERN C#Cc1cncc(C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000807157646 645916242 /nfs/dbraw/zinc/91/62/42/645916242.db2.gz AUFNBASYPXTTAO-ZDUSSCGKSA-N 0 0 317.352 2.135 10 30 DEEERN C=CCCN(OCc1ccccc1)C(=O)C1(C(=O)N(C)C)CC1 ZINC000807330208 645940447 /nfs/dbraw/zinc/94/04/47/645940447.db2.gz BHGUTXSEULNZQC-UHFFFAOYSA-N 0 0 316.401 2.391 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cncc(C)c1 ZINC000807338208 645941706 /nfs/dbraw/zinc/94/17/06/645941706.db2.gz CKDSUSNFGDZHHU-INIZCTEOSA-N 0 0 321.380 2.079 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000807410869 645947825 /nfs/dbraw/zinc/94/78/25/645947825.db2.gz YPZOGOYLHFSKJE-IEBWSBKVSA-N 0 0 313.372 2.071 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@](O)(CC)C1 ZINC000807465883 645953842 /nfs/dbraw/zinc/95/38/42/645953842.db2.gz NEGWABQTSOVSSB-FUHWJXTLSA-N 0 0 300.402 2.177 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(CCO)CC1CC1 ZINC000807467442 645954250 /nfs/dbraw/zinc/95/42/50/645954250.db2.gz QNYJOQNYYPIJSE-QGZVFWFLSA-N 0 0 300.402 2.035 10 30 DEEERN COC(=O)CCCCCNC(=O)/C=C/c1ccccc1C#N ZINC000045197144 646471882 /nfs/dbraw/zinc/47/18/82/646471882.db2.gz BGQODPKWMYBYAH-ZHACJKMWSA-N 0 0 300.358 2.421 10 30 DEEERN CC[C@H]1CN(Cn2c(C)nnc2-c2cccc(C#N)c2)CCO1 ZINC000172607184 646745034 /nfs/dbraw/zinc/74/50/34/646745034.db2.gz VMCYIMDLMIOOEO-INIZCTEOSA-N 0 0 311.389 2.194 10 30 DEEERN C=CCC[C@H](C)OC(=O)CN1CCN(c2ccccn2)CC1 ZINC000153481877 647483777 /nfs/dbraw/zinc/48/37/77/647483777.db2.gz MAYMODLQMLXIFF-HNNXBMFYSA-N 0 0 303.406 2.102 10 30 DEEERN C[C@H](NC(=S)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000732626043 647633041 /nfs/dbraw/zinc/63/30/41/647633041.db2.gz RMPHUZXKERMFQL-BBRMVZONSA-N 0 0 314.458 2.294 10 30 DEEERN Cc1ccc2c(CC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c[nH]c2c1 ZINC000732650834 647635944 /nfs/dbraw/zinc/63/59/44/647635944.db2.gz IYNMDGGUZWSELJ-INIZCTEOSA-N 0 0 322.412 2.218 10 30 DEEERN C[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732648585 647636047 /nfs/dbraw/zinc/63/60/47/647636047.db2.gz WATCGUFRRHGQTQ-CXAGYDPISA-N 0 0 315.392 2.203 10 30 DEEERN N#C[C@H]1CN(C(=O)C(F)(F)c2ccc(F)cc2)CCN1C1CC1 ZINC000732648289 647636114 /nfs/dbraw/zinc/63/61/14/647636114.db2.gz CNBAWLAPZKMDGL-AWEZNQCLSA-N 0 0 323.318 2.116 10 30 DEEERN Cc1nc2ccccc2cc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732651814 647637436 /nfs/dbraw/zinc/63/74/36/647637436.db2.gz IWQNOCJRKPAQRJ-INIZCTEOSA-N 0 0 320.396 2.356 10 30 DEEERN Cc1ccc([C@@H](C)NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 ZINC000732699595 647643529 /nfs/dbraw/zinc/64/35/29/647643529.db2.gz ASWFXHRHPZFIPS-OCCSQVGLSA-N 0 0 318.446 2.499 10 30 DEEERN C#CCOc1ccccc1[C@@H](C)OC(=O)C[C@H]1COC(=O)C1 ZINC000153757528 647648811 /nfs/dbraw/zinc/64/88/11/647648811.db2.gz VGYTYUQLAKDPPX-OLZOCXBDSA-N 0 0 302.326 2.256 10 30 DEEERN C#CCNC(=O)c1ccc(N[C@H]2CCc3ccccc3C2)nc1 ZINC000732912836 647691455 /nfs/dbraw/zinc/69/14/55/647691455.db2.gz YKCQBJNBYZUPRL-KRWDZBQOSA-N 0 0 305.381 2.414 10 30 DEEERN C=C(C)CN(CC)C(=O)CNc1ccc(OCC)cc1C(N)=O ZINC000153939299 647858982 /nfs/dbraw/zinc/85/89/82/647858982.db2.gz FGVMCZHOPITCDY-UHFFFAOYSA-N 0 0 319.405 2.021 10 30 DEEERN C#Cc1ccc(C(=O)OCc2noc(-c3ccccc3)n2)cn1 ZINC000733107012 647877062 /nfs/dbraw/zinc/87/70/62/647877062.db2.gz YDTWMGPRDYJIML-UHFFFAOYSA-N 0 0 305.293 2.470 10 30 DEEERN C#CC[C@H](OC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)C1CC1 ZINC000175344612 648345130 /nfs/dbraw/zinc/34/51/30/648345130.db2.gz LACZLSAGDHTSQB-HOTGVXAUSA-N 0 0 318.417 2.259 10 30 DEEERN CC(=O)N(CCc1ccccc1)CC(=O)OCC(C)(C)C#N ZINC000180132123 648463258 /nfs/dbraw/zinc/46/32/58/648463258.db2.gz ZLFISXXRZSSZCM-UHFFFAOYSA-N 0 0 302.374 2.171 10 30 DEEERN C=C[C@@H](CC)OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000181222581 648585297 /nfs/dbraw/zinc/58/52/97/648585297.db2.gz BEKLZRKVZIHRRQ-MNXVOIDGSA-N 0 0 312.435 2.220 10 30 DEEERN C[C@@H](C#N)CNC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000182603993 648950991 /nfs/dbraw/zinc/95/09/91/648950991.db2.gz PRLHHKCTMYAQSE-ZDUSSCGKSA-N 0 0 314.389 2.162 10 30 DEEERN CCCCCCCC(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000183820758 649171512 /nfs/dbraw/zinc/17/15/12/649171512.db2.gz DKOOLPRGJFQKDH-UHFFFAOYSA-N 0 0 320.437 2.494 10 30 DEEERN N#CC1(C(=O)NCCc2nc(-c3ccco3)n[nH]2)CCCCC1 ZINC000071896249 649235751 /nfs/dbraw/zinc/23/57/51/649235751.db2.gz VFXQZQVFNZVDFM-UHFFFAOYSA-N 0 0 313.361 2.197 10 30 DEEERN C#CCCNC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC000733247279 649463257 /nfs/dbraw/zinc/46/32/57/649463257.db2.gz MCFFHPDJPBFVPZ-UHFFFAOYSA-N 0 0 304.434 2.381 10 30 DEEERN C#CCCNC(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000733347772 649549296 /nfs/dbraw/zinc/54/92/96/649549296.db2.gz JGPIBOCAQJNCLW-UHFFFAOYSA-N 0 0 316.401 2.205 10 30 DEEERN C#CCOc1ccc(NC(=O)N(C)CC(=O)NC(C)(C)C)cc1 ZINC000108522116 651661248 /nfs/dbraw/zinc/66/12/48/651661248.db2.gz YINZTFOIRLBWIH-UHFFFAOYSA-N 0 0 317.389 2.077 10 30 DEEERN Cn1cc(C#N)cc1C(=O)OCc1nnc(-c2ccccc2)o1 ZINC000081081193 683988576 /nfs/dbraw/zinc/98/85/76/683988576.db2.gz LGGJUYZGALGQHS-UHFFFAOYSA-N 0 0 308.297 2.304 10 30 DEEERN C#C[C@@H](OC(=O)CN1C(=O)CSc2ccccc21)C1CC1 ZINC000089491019 684023759 /nfs/dbraw/zinc/02/37/59/684023759.db2.gz UPQUJSWOCSWUQK-CYBMUJFWSA-N 0 0 301.367 2.080 10 30 DEEERN N#C[C@@H](C(=O)C[C@H]1CCOc2ccccc21)C(=O)N1CCCC1 ZINC000118141792 684070131 /nfs/dbraw/zinc/07/01/31/684070131.db2.gz GGHBVJKSOYMQAN-HIFRSBDPSA-N 0 0 312.369 2.274 10 30 DEEERN CCC(CC)CN(CCC#N)Cn1nc(CO)n(C)c1=S ZINC000120465462 684096281 /nfs/dbraw/zinc/09/62/81/684096281.db2.gz GTXOPDWUBGZDTL-UHFFFAOYSA-N 0 0 311.455 2.053 10 30 DEEERN C[C@@H](C#N)Oc1ccc(CN(C)CC(=O)NC(C)(C)C)cc1 ZINC000120665726 684099503 /nfs/dbraw/zinc/09/95/03/684099503.db2.gz IAUQFBUPNRWIAF-ZDUSSCGKSA-N 0 0 303.406 2.324 10 30 DEEERN C=CCOc1ccc(C(=O)OCc2nccn2C)cc1OC ZINC000125147708 684142156 /nfs/dbraw/zinc/14/21/56/684142156.db2.gz QZMHSDHHTVDHQW-UHFFFAOYSA-N 0 0 302.330 2.351 10 30 DEEERN C#CCN(CC#C)CC(=O)c1cc(C)n(-c2cc(C)on2)c1C ZINC000132155866 684205998 /nfs/dbraw/zinc/20/59/98/684205998.db2.gz VQTJNXHYXYMMKH-UHFFFAOYSA-N 0 0 309.369 2.142 10 30 DEEERN N#Cc1ccc2ncc(/C=C3\CCc4[nH]c(=O)ccc4C3=O)n2c1 ZINC000133326005 684218740 /nfs/dbraw/zinc/21/87/40/684218740.db2.gz NWCQNQPZUAISDS-KPKJPENVSA-N 0 0 316.320 2.107 10 30 DEEERN C#C[C@H](OC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1)C1CC1 ZINC000134081575 684225314 /nfs/dbraw/zinc/22/53/14/684225314.db2.gz KKKCURBWPQZDFM-IRXDYDNUSA-N 0 0 315.369 2.218 10 30 DEEERN COc1ccc(CN[C@](C)(C(N)=O)c2ccccc2)cc1C#N ZINC000135178104 684233254 /nfs/dbraw/zinc/23/32/54/684233254.db2.gz KECDHGUQGDUIND-SFHVURJKSA-N 0 0 309.369 2.057 10 30 DEEERN N#C[C@@H](C(=O)Cc1ccc2c(c1)CCC2)C(=O)Nc1ccccn1 ZINC000138956864 684248624 /nfs/dbraw/zinc/24/86/24/684248624.db2.gz VJWRTKNSXLSSPC-INIZCTEOSA-N 0 0 319.364 2.460 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)c1ccsc1 ZINC000155558075 684275703 /nfs/dbraw/zinc/27/57/03/684275703.db2.gz RZVJKPLVRDGHSM-FZMZJTMJSA-N 0 0 316.382 2.237 10 30 DEEERN CC[C@H](CC#N)OC(=O)CN1c2ccccc2SCC1=O ZINC000187933205 684345762 /nfs/dbraw/zinc/34/57/62/684345762.db2.gz VGJQVWDFIQFHKQ-LLVKDONJSA-N 0 0 304.371 2.361 10 30 DEEERN C=CC[C@H](OC(=O)CCN1C(=O)CCC1=O)c1ccccc1 ZINC000189225775 684377134 /nfs/dbraw/zinc/37/71/34/684377134.db2.gz GKAQIFBXNHXRGZ-AWEZNQCLSA-N 0 0 301.342 2.386 10 30 DEEERN Cc1cnn(CCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000191893071 684438119 /nfs/dbraw/zinc/43/81/19/684438119.db2.gz XCSFIMDWWOMDQP-UHFFFAOYSA-N 0 0 321.302 2.378 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000193938039 685053282 /nfs/dbraw/zinc/05/32/82/685053282.db2.gz DLMFIVMABLEDQE-GFCCVEGCSA-N 0 0 324.302 2.407 10 30 DEEERN COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccn(C)c2C)cc1 ZINC000194888363 685080965 /nfs/dbraw/zinc/08/09/65/685080965.db2.gz IEUUFDFHINGVJW-OAHLLOKOSA-N 0 0 311.341 2.303 10 30 DEEERN CO[C@@H]1C[C@@H](COc2cccnc2)N(c2ncccc2C#N)C1 ZINC000886048321 691992347 /nfs/dbraw/zinc/99/23/47/691992347.db2.gz DDEZKESBCRCIEI-GOEBONIOSA-N 0 0 310.357 2.021 10 30 DEEERN CC(=O)N1C[C@H](Nc2ccc(C#N)cn2)CC[C@H]1C(F)(F)F ZINC000886088767 692000734 /nfs/dbraw/zinc/00/07/34/692000734.db2.gz UZKBZCJLOOWBTO-NEPJUHHUSA-N 0 0 312.295 2.307 10 30 DEEERN COc1ccc(C=C(C)C(O)=C(C#N)C(=O)NC(C)C)cc1F ZINC000588447679 777210025 /nfs/dbraw/zinc/21/00/25/777210025.db2.gz PCOWGZBAJGHVJQ-YLBKJLTLSA-N 0 0 318.348 2.471 10 30 DEEERN Cc1nnc(NC/C=C\CNC(=O)OC(C)(C)C)c(C#N)c1C ZINC000588468111 777238826 /nfs/dbraw/zinc/23/88/26/777238826.db2.gz USECZJOGSSXTTO-SREVYHEPSA-N 0 0 317.393 2.458 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000588482980 777253002 /nfs/dbraw/zinc/25/30/02/777253002.db2.gz WIOSBVHSIAGXLB-WSROAFLRSA-N 0 0 301.795 2.167 10 30 DEEERN C#Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)cn1 ZINC000728810485 779836786 /nfs/dbraw/zinc/83/67/86/779836786.db2.gz RSWKLGLXLSHFQT-HOTGVXAUSA-N 0 0 316.426 2.190 10 30 DEEERN C=C(COC(=O)[C@H](c1ccccc1)N(C)CC)C(=O)OCC ZINC000745097828 784669202 /nfs/dbraw/zinc/66/92/02/784669202.db2.gz LIBMUNGBKKEWBG-HNNXBMFYSA-N 0 0 305.374 2.342 10 30 DEEERN C=C(COC(=O)c1ccccc1-c1nc(C)no1)C(=O)OCC ZINC000745257463 784701871 /nfs/dbraw/zinc/70/18/71/784701871.db2.gz JEKYLIYRLNKFQY-UHFFFAOYSA-N 0 0 316.313 2.321 10 30 DEEERN C=C(COC(=O)[C@H](O)[C@@H](C)c1ccc(C)cc1)C(=O)OCC ZINC000745754429 784752208 /nfs/dbraw/zinc/75/22/08/784752208.db2.gz VXUKOQMCRZMBBQ-DZGCQCFKSA-N 0 0 306.358 2.122 10 30 DEEERN COc1cccc(CS(=O)(=O)Oc2cccc(C#N)c2)c1 ZINC000117903037 799027970 /nfs/dbraw/zinc/02/79/70/799027970.db2.gz MADXPIRKZTXOTK-UHFFFAOYSA-N 0 0 303.339 2.476 10 30 DEEERN C#CCCCCNC(=O)N1CCN(CC(F)F)[C@H](CC)C1 ZINC000130707352 799239605 /nfs/dbraw/zinc/23/96/05/799239605.db2.gz UKTRZMWNCFIPQH-CYBMUJFWSA-N 0 0 301.381 2.161 10 30 DEEERN Cc1cc(C)n(CC(=O)OCCCC2(C#N)CCOCC2)n1 ZINC000800123626 799317467 /nfs/dbraw/zinc/31/74/67/799317467.db2.gz YJARCMWWLUBIQR-UHFFFAOYSA-N 0 0 305.378 2.144 10 30 DEEERN Cc1cc(S(=O)(=O)NCC[C@H]2CCSC2)ccc1C#N ZINC000704786327 1086590891 /nfs/dbraw/zinc/59/08/91/1086590891.db2.gz HNCRCSLFPPQEAW-LBPRGKRZSA-N 0 0 310.444 2.288 10 30 DEEERN N#CCN1CCN(c2nc3cc(Br)ccc3o2)CC1 ZINC000705914492 1086628846 /nfs/dbraw/zinc/62/88/46/1086628846.db2.gz WFXUFPFFIFMGKX-UHFFFAOYSA-N 0 0 321.178 2.236 10 30 DEEERN C#C[C@H](CO)NC(=O)CSc1cc(Cl)ccc1Cl ZINC000718166436 1088395273 /nfs/dbraw/zinc/39/52/73/1088395273.db2.gz ZANLULQWMCLOFV-SECBINFHSA-N 0 0 304.198 2.196 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CSCN1C(C)=O ZINC000413992426 1089235451 /nfs/dbraw/zinc/23/54/51/1089235451.db2.gz XUZGVRYCWKQVFH-HOTGVXAUSA-N 0 0 318.442 2.211 10 30 DEEERN C[C@H](CNS(=O)(=O)c1cc(F)cc(C#N)c1)CC(F)F ZINC000720077602 1089457759 /nfs/dbraw/zinc/45/77/59/1089457759.db2.gz DZXLIODQOFBRAN-QMMMGPOBSA-N 0 0 306.309 2.267 10 30 DEEERN C=CCCCCCN(C)C(=O)[C@@H]1COCCN1CC(F)F ZINC000353908948 1144003028 /nfs/dbraw/zinc/00/30/28/1144003028.db2.gz LSSOKYNDBQCUEI-ZDUSSCGKSA-N 0 0 304.381 2.157 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(N2CCC(O)CC2)cc1 ZINC000278298119 214075259 /nfs/dbraw/zinc/07/52/59/214075259.db2.gz HIHUFWICUMLMEX-UHFFFAOYSA-N 0 0 310.397 2.249 10 30 DEEERN C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[C@@H]2COC[C@H]2C1 ZINC000624844425 365568229 /nfs/dbraw/zinc/56/82/29/365568229.db2.gz TWTMDVIULZZACB-KBUPBQIOSA-N 0 0 318.421 2.177 10 30 DEEERN C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1C[C@H]2COC[C@]2(C)C1 ZINC000624842898 365568328 /nfs/dbraw/zinc/56/83/28/365568328.db2.gz FADJMXRAQUGOMY-OEUWWYETSA-N 0 0 318.421 2.177 10 30 DEEERN C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[C@H]2COC[C@H]2C1 ZINC000624844432 365568711 /nfs/dbraw/zinc/56/87/11/365568711.db2.gz TWTMDVIULZZACB-LXTVHRRPSA-N 0 0 318.421 2.177 10 30 DEEERN C=CCSCCNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000076965346 185062590 /nfs/dbraw/zinc/06/25/90/185062590.db2.gz DADCOUPAMJMNEM-LBPRGKRZSA-N 0 0 314.451 2.279 10 30 DEEERN N#Cc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)c(N)c1 ZINC000096601494 185384244 /nfs/dbraw/zinc/38/42/44/185384244.db2.gz WQARPYAWYNNKLQ-UHFFFAOYSA-N 0 0 309.297 2.219 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000278489810 214187539 /nfs/dbraw/zinc/18/75/39/214187539.db2.gz LIIIJEVZCUAXGQ-IUODEOHRSA-N 0 0 319.361 2.104 10 30 DEEERN C=CCCC[C@@H](C)NS(=O)(=O)CC1(OCC)CCOCC1 ZINC000625111743 365647615 /nfs/dbraw/zinc/64/76/15/365647615.db2.gz QPBCUUHWLMTTET-CQSZACIVSA-N 0 0 319.467 2.236 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1c(C)cccc1C ZINC000612531409 361853769 /nfs/dbraw/zinc/85/37/69/361853769.db2.gz BLGNMQZYETVMHE-KRWDZBQOSA-N 0 0 302.418 2.433 10 30 DEEERN C[C@@H](NC(=O)[C@@]1(C)CCCS1)c1cccc(C#CCO)c1 ZINC000164885775 197666337 /nfs/dbraw/zinc/66/63/37/197666337.db2.gz SHOZKANBKBCRSV-CXAGYDPISA-N 0 0 303.427 2.493 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)OCC(=O)Nc1ccccc1C ZINC000278753940 214377183 /nfs/dbraw/zinc/37/71/83/214377183.db2.gz MVVZSDMAHGYBPT-CZUORRHYSA-N 0 0 303.358 2.458 10 30 DEEERN C=CCN(CC)S(=O)(=O)c1cc(Br)ccc1N ZINC000165148854 197670789 /nfs/dbraw/zinc/67/07/89/197670789.db2.gz JRNWYGVLGKRLJC-UHFFFAOYSA-N 0 0 319.224 2.228 10 30 DEEERN Cc1ccc(C#CCO)cc1C(=O)N[C@@H](C)c1nccs1 ZINC000087746421 185231195 /nfs/dbraw/zinc/23/11/95/185231195.db2.gz ZMIMTFJAEFZNGM-LBPRGKRZSA-N 0 0 300.383 2.286 10 30 DEEERN N#Cc1cc(N)ccc1S(=O)(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000087766316 185231399 /nfs/dbraw/zinc/23/13/99/185231399.db2.gz XKOBXESWOIXZQT-FZMZJTMJSA-N 0 0 305.403 2.094 10 30 DEEERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CCc1ccc(C#N)cc1 ZINC000088198156 185241824 /nfs/dbraw/zinc/24/18/24/185241824.db2.gz CFAFBYPQLKHDKH-OAHLLOKOSA-N 0 0 323.400 2.296 10 30 DEEERN CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1ccc(C#CCO)cc1 ZINC000088310849 185245213 /nfs/dbraw/zinc/24/52/13/185245213.db2.gz HQSCAWQKKAIBMZ-UONOGXRCSA-N 0 0 309.431 2.133 10 30 DEEERN CN(CCC(F)(F)F)C(=O)c1ccc(C#CCO)c(F)c1 ZINC000088436706 185250465 /nfs/dbraw/zinc/25/04/65/185250465.db2.gz VVDSCJMABOMYNY-UHFFFAOYSA-N 0 0 303.255 2.194 10 30 DEEERN Cc1cc(C)c(S(=O)(=O)N(C)[C@@H](C)C#N)c(C)c1[N+](=O)[O-] ZINC000165839226 197682831 /nfs/dbraw/zinc/68/28/31/197682831.db2.gz FHKDXRQMUTVVLU-JTQLQIEISA-N 0 0 311.363 2.053 10 30 DEEERN COC(=O)C[C@H](C)SCC(=O)Nc1oc(C)c(C)c1C#N ZINC000090099595 185281958 /nfs/dbraw/zinc/28/19/58/185281958.db2.gz HVYGZBACSJOIOF-QMMMGPOBSA-N 0 0 310.375 2.391 10 30 DEEERN C[C@@H](CC#N)N(C)S(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000165947526 197684795 /nfs/dbraw/zinc/68/47/95/197684795.db2.gz OOCOCMRMJCYLBE-ZETCQYMHSA-N 0 0 322.217 2.498 10 30 DEEERN C=CCN(C(C)(C)C)S(=O)(=O)c1ccc(CCO)s1 ZINC000166033437 197686482 /nfs/dbraw/zinc/68/64/82/197686482.db2.gz NHSPNQPPQZVHRE-UHFFFAOYSA-N 0 0 303.449 2.258 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1[C@@H](C)[C@@H](OC)C1(CC)CC ZINC000613225265 362047875 /nfs/dbraw/zinc/04/78/75/362047875.db2.gz GDURAINSTPUFGN-SLBVQIDZSA-N 0 0 324.465 2.413 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1cc(C)n(C2CCOCC2)c1C ZINC000613253025 362058492 /nfs/dbraw/zinc/05/84/92/362058492.db2.gz MLTXTNYTHOBWTQ-HNNXBMFYSA-N 0 0 320.433 2.371 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](CCOC)c1ccc(C)o1 ZINC000613312961 362077869 /nfs/dbraw/zinc/07/78/69/362077869.db2.gz JGLQSZXRORFMGL-LSDHHAIUSA-N 0 0 322.405 2.253 10 30 DEEERN CC#CCCNC(=O)c1cncc2nc(C(F)(F)F)n(C)c21 ZINC000613320725 362079882 /nfs/dbraw/zinc/07/98/82/362079882.db2.gz NMVWNJRHWIBCBV-UHFFFAOYSA-N 0 0 310.279 2.130 10 30 DEEERN C=CCN([C@H](C)COC)S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625276535 365710986 /nfs/dbraw/zinc/71/09/86/365710986.db2.gz NQJHPLZTNQCJKR-LLVKDONJSA-N 0 0 319.373 2.485 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)CC1(OCC)CCOCC1 ZINC000625325430 365729958 /nfs/dbraw/zinc/72/99/58/365729958.db2.gz ANBXDBOGYBFZDP-UHFFFAOYSA-N 0 0 319.467 2.094 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccn2cc(C(F)(F)F)nc2c1 ZINC000613486168 362126966 /nfs/dbraw/zinc/12/69/66/362126966.db2.gz BUHQUBJLQXSISR-JTQLQIEISA-N 0 0 313.279 2.020 10 30 DEEERN COCc1cncc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1 ZINC000613681076 362179376 /nfs/dbraw/zinc/17/93/76/362179376.db2.gz GUTHGVSDRGPGKE-IBGZPJMESA-N 0 0 321.380 2.409 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000625349413 365741553 /nfs/dbraw/zinc/74/15/53/365741553.db2.gz ALQZAKKFRYZSKO-LBPRGKRZSA-N 0 0 309.387 2.045 10 30 DEEERN C=C[C@H](O)C(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000613865692 362235087 /nfs/dbraw/zinc/23/50/87/362235087.db2.gz IDJGIONSQMWVPB-KWQFWETISA-N 0 0 314.179 2.182 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(Cc1cccnc1)C1CC1 ZINC000625370525 365751234 /nfs/dbraw/zinc/75/12/34/365751234.db2.gz LWHZHZYFAWOIAJ-UHFFFAOYSA-N 0 0 315.417 2.291 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000613931100 362247657 /nfs/dbraw/zinc/24/76/57/362247657.db2.gz MRHQBCWMNNPFNK-HOTGVXAUSA-N 0 0 322.449 2.455 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)C1Cc2ccccc2C1 ZINC000625431652 365781042 /nfs/dbraw/zinc/78/10/42/365781042.db2.gz IPJXBPCSFOSEMY-UHFFFAOYSA-N 0 0 314.429 2.331 10 30 DEEERN C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1c1ccccc1 ZINC000188735830 529806305 /nfs/dbraw/zinc/80/63/05/529806305.db2.gz NLERYCPQCDFHEB-WMZOPIPTSA-N 0 0 321.380 2.439 10 30 DEEERN CN1C[C@H](CNC(=O)COC[C@H]2CCOC2)Cc2ccccc21 ZINC000329982541 529825001 /nfs/dbraw/zinc/82/50/01/529825001.db2.gz AJQRFCYKOKZIQP-GJZGRUSLSA-N 0 0 318.417 2.305 10 30 DEEERN CN(CCC#N)c1ccc(CN2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000371325955 529869784 /nfs/dbraw/zinc/86/97/84/529869784.db2.gz HEZTTYUOSQGJQV-LJQANCHMSA-N 0 0 323.444 2.209 10 30 DEEERN CN(CCNC(=O)NCC1CCC(C#N)CC1)CC(F)(F)F ZINC000440981732 529914418 /nfs/dbraw/zinc/91/44/18/529914418.db2.gz HXXIMDBQJFHSGU-UHFFFAOYSA-N 0 0 320.359 2.110 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1c(C(F)(F)F)cnn1C ZINC000614372511 362364599 /nfs/dbraw/zinc/36/45/99/362364599.db2.gz JQEGMWYNUMQNKI-CABZTGNLSA-N 0 0 317.311 2.150 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cn(C)nc1-c1ccco1 ZINC000614374706 362365240 /nfs/dbraw/zinc/36/52/40/362365240.db2.gz HOVCKDRYWZQTQM-MLGOLLRUSA-N 0 0 315.373 2.391 10 30 DEEERN COC(=O)Cc1cccc(C(=O)N[C@](C)(C#N)CC(C)C)c1 ZINC000614503185 362397153 /nfs/dbraw/zinc/39/71/53/362397153.db2.gz PGNNATPPQVVMCO-KRWDZBQOSA-N 0 0 302.374 2.460 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)c1c(F)cncc1F ZINC000614797720 362464268 /nfs/dbraw/zinc/46/42/68/362464268.db2.gz OXOUYRSZQYKFMT-NOZJJQNGSA-N 0 0 311.332 2.008 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1Cc2ccccc2O[C@@H](C)C1 ZINC000615207175 362558323 /nfs/dbraw/zinc/55/83/23/362558323.db2.gz XZQFOEDBMDCICT-BBRMVZONSA-N 0 0 316.401 2.267 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1Cc2ccccc2O[C@H](C)C1 ZINC000615207177 362558467 /nfs/dbraw/zinc/55/84/67/362558467.db2.gz XZQFOEDBMDCICT-CZUORRHYSA-N 0 0 316.401 2.267 10 30 DEEERN CCOC(=O)C1(CC(=O)NCc2ccc(C#N)cc2F)CCC1 ZINC000616058184 362763690 /nfs/dbraw/zinc/76/36/90/362763690.db2.gz RUCGQEKMWBXSHC-UHFFFAOYSA-N 0 0 318.348 2.437 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCCC[C@@H](CCOC)C1 ZINC000625610162 365848240 /nfs/dbraw/zinc/84/82/40/365848240.db2.gz DIBKROCEWBKTPR-HNNXBMFYSA-N 0 0 324.465 2.370 10 30 DEEERN Cc1c(C(=O)Nc2cc(C#N)ccn2)cnn1-c1ccccn1 ZINC000616175369 362787811 /nfs/dbraw/zinc/78/78/11/362787811.db2.gz QSZLPFBPGGRBBS-UHFFFAOYSA-N 0 0 304.313 2.095 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1cc(F)c(Cl)cc1F ZINC000279744240 215109357 /nfs/dbraw/zinc/10/93/57/215109357.db2.gz PHPOIRWPEKXGDQ-VIFPVBQESA-N 0 0 304.724 2.354 10 30 DEEERN N#Cc1ccc([C@@H]2CCc3ccccc3N2S(N)(=O)=O)cc1 ZINC000616594455 362895167 /nfs/dbraw/zinc/89/51/67/362895167.db2.gz ILYHPXVADCNNJF-INIZCTEOSA-N 0 0 313.382 2.256 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N2CCCCC[C@H]2N)cc1Cl ZINC000126935369 185905352 /nfs/dbraw/zinc/90/53/52/185905352.db2.gz AVYBBRHOBXUDBZ-ZDUSSCGKSA-N 0 0 313.810 2.061 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CCC2(CCCC2)O1 ZINC000616719514 362920492 /nfs/dbraw/zinc/92/04/92/362920492.db2.gz VQZRRJDGQMNOGC-GJZGRUSLSA-N 0 0 308.422 2.065 10 30 DEEERN C=CCN(CCOC)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000616760938 362930371 /nfs/dbraw/zinc/93/03/71/362930371.db2.gz QGZNNMSFUMXZLY-UHFFFAOYSA-N 0 0 306.362 2.448 10 30 DEEERN C#CCC(CC#C)C(=O)N1C[C@H](C(=O)NCCCC)CC[C@@H]1C ZINC000277347440 213462316 /nfs/dbraw/zinc/46/23/16/213462316.db2.gz DYFNSLLVKRLXAJ-DOTOQJQBSA-N 0 0 316.445 2.193 10 30 DEEERN C=CCN(C[C@H](C)C(=O)OC)C(=O)c1ccc(OC)c(OC)c1 ZINC000071619530 190994837 /nfs/dbraw/zinc/99/48/37/190994837.db2.gz GJTSVDILWTUQHL-LBPRGKRZSA-N 0 0 321.373 2.141 10 30 DEEERN COc1cccc2c1C(=O)N(Cc1c(C)nn(C)c1C)[C@@H]2C#N ZINC000071678716 191005404 /nfs/dbraw/zinc/00/54/04/191005404.db2.gz XFBJYQHFAYJUJF-CQSZACIVSA-N 0 0 310.357 2.266 10 30 DEEERN N#CC1c2ccc(Cl)c(Cl)c2C(=O)N1CCOCCO ZINC000071681901 191006905 /nfs/dbraw/zinc/00/69/05/191006905.db2.gz JHVOSVPKVRJVGG-SNVBAGLBSA-N 0 0 315.156 2.023 10 30 DEEERN COc1cc2c(c(OC)c1)C(C#N)N(C1CCC(O)CC1)C2=O ZINC000071680711 191007330 /nfs/dbraw/zinc/00/73/30/191007330.db2.gz JKLAKTPQXOAJGE-QIMFLAQGSA-N 0 0 316.357 2.028 10 30 DEEERN C[C@@H]1SCCN(C(=O)c2ccccc2C#CCCO)[C@H]1C ZINC000133656484 186004295 /nfs/dbraw/zinc/00/42/95/186004295.db2.gz UQNIIWVXVDISNU-KBPBESRZSA-N 0 0 303.427 2.387 10 30 DEEERN COC(=O)C1(N(C)C(=O)c2ccc(C#N)cc2C)CCCC1 ZINC000133783215 186011911 /nfs/dbraw/zinc/01/19/11/186011911.db2.gz XJPWNFFGLVBQMG-UHFFFAOYSA-N 0 0 300.358 2.425 10 30 DEEERN C[C@@H]1C[C@@H](C)CCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000147438920 186040224 /nfs/dbraw/zinc/04/02/24/186040224.db2.gz FVPLIVYNOIAFNN-UONOGXRCSA-N 0 0 306.431 2.452 10 30 DEEERN CC1(C)CCC[C@H](NS(=O)(=O)c2ccc(N)cc2C#N)C1 ZINC000149244332 186048645 /nfs/dbraw/zinc/04/86/45/186048645.db2.gz PPYNRZSAQIKRSJ-ZDUSSCGKSA-N 0 0 307.419 2.388 10 30 DEEERN CCC[C@@H](C#N)N1CCN(Cc2cn3ccsc3n2)CC1 ZINC000148715946 186045417 /nfs/dbraw/zinc/04/54/17/186045417.db2.gz IQZNPOWYYCMYLM-AWEZNQCLSA-N 0 0 303.435 2.206 10 30 DEEERN C=C(C)[C@H](CO)N1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000616879688 362956608 /nfs/dbraw/zinc/95/66/08/362956608.db2.gz JBFYIGNKQCRNDR-STQMWFEESA-N 0 0 310.419 2.394 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000617040624 363006833 /nfs/dbraw/zinc/00/68/33/363006833.db2.gz WOELVRRUXIRFAL-NHYWBVRUSA-N 0 0 312.369 2.435 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000617042707 363007645 /nfs/dbraw/zinc/00/76/45/363007645.db2.gz VFKHCXUFDMWRGA-DGAVXFQQSA-N 0 0 301.452 2.307 10 30 DEEERN CN(C)c1nc2sc(C(=O)N[C@@H](C#N)C3CC3)cc2s1 ZINC000171721462 197973556 /nfs/dbraw/zinc/97/35/56/197973556.db2.gz YRZGRQGFDKQLOP-QMMMGPOBSA-N 0 0 306.416 2.456 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)NC1CCN(CC#N)CC1 ZINC000595498854 358465030 /nfs/dbraw/zinc/46/50/30/358465030.db2.gz JRJYDSAVUKEZJE-GOEBONIOSA-N 0 0 304.438 2.408 10 30 DEEERN CC(=O)N1CCC[C@@H](C(=O)Nc2ccc3nc(C)cn3c2)C1 ZINC000328799259 539911199 /nfs/dbraw/zinc/91/11/99/539911199.db2.gz XMLSSFLRFWKXRT-CYBMUJFWSA-N 0 0 300.362 2.489 10 30 DEEERN Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCOCC3(CC3)C2)c1 ZINC000329336979 539918702 /nfs/dbraw/zinc/91/87/02/539918702.db2.gz PNJVEPXPBRLUFZ-CQSZACIVSA-N 0 0 316.401 2.327 10 30 DEEERN C=CCN(C(=O)C[C@H](NC(C)=O)c1ccccc1)[C@H](C)COC ZINC000617575052 363193024 /nfs/dbraw/zinc/19/30/24/363193024.db2.gz OSQTZYLGSNVUQJ-PBHICJAKSA-N 0 0 318.417 2.303 10 30 DEEERN C[C@@H]1N(C(=O)N[C@H]2CCO[C@@H]2c2cccnc2)CCOC1(C)C ZINC000329426972 539920158 /nfs/dbraw/zinc/92/01/58/539920158.db2.gz GQAQWQRVDFRZMW-AEGPPILISA-N 0 0 319.405 2.325 10 30 DEEERN C[C@H](Cn1cncn1)NC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000329551797 539923098 /nfs/dbraw/zinc/92/30/98/539923098.db2.gz JPSYSNWAXVDYND-HZSPNIEDSA-N 0 0 323.441 2.012 10 30 DEEERN C=CCN(C(=O)c1ccc(-c2ncon2)cc1)[C@H](C)COC ZINC000617578847 363195347 /nfs/dbraw/zinc/19/53/47/363195347.db2.gz RSALXMGAZAIKKJ-GFCCVEGCSA-N 0 0 301.346 2.400 10 30 DEEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C)c2nncn2C)cs1 ZINC000330192798 539935276 /nfs/dbraw/zinc/93/52/76/539935276.db2.gz NWXPUZDEEGYJFP-CABZTGNLSA-N 0 0 320.422 2.392 10 30 DEEERN Cc1c([C@H]2OCC[C@@H]2C(=O)NC[C@@H]2CCCC[C@@H]2O)cnn1C ZINC000330316639 539937911 /nfs/dbraw/zinc/93/79/11/539937911.db2.gz ZMBJPWSEKUWTOR-SDADXPQNSA-N 0 0 321.421 2.314 10 30 DEEERN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H]1c1cnn(C)c1 ZINC000173653925 198236430 /nfs/dbraw/zinc/23/64/30/198236430.db2.gz ULFHUYGJGBBDIA-SUMWQHHRSA-N 0 0 323.400 2.456 10 30 DEEERN COc1cccc(/C=N/N2C(=O)c3ccccc3C2=O)c1OC ZINC000003574359 181036300 /nfs/dbraw/zinc/03/63/00/181036300.db2.gz AXZQVUFLAUFQJX-VCHYOVAHSA-N 0 0 310.309 2.334 10 30 DEEERN CCOc1ccc(S(=O)(=O)N/N=C/c2cccc(O)c2)cc1 ZINC000003575208 181036781 /nfs/dbraw/zinc/03/67/81/181036781.db2.gz PHVUDMROJMUXDJ-LFIBNONCSA-N 0 0 320.370 2.103 10 30 DEEERN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC/C=C/C)cc1 ZINC000626290606 366136586 /nfs/dbraw/zinc/13/65/86/366136586.db2.gz VVJYBBGFYZZLRN-GQCTYLIASA-N 0 0 323.418 2.191 10 30 DEEERN CC#CCNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000626301863 366139962 /nfs/dbraw/zinc/13/99/62/366139962.db2.gz AERSOGPKPUOBQE-IACUBPJLSA-N 0 0 304.187 2.474 10 30 DEEERN COC(=O)[C@@H]1CCCCN1C(=O)CCc1ccc(C#N)cc1 ZINC000042647894 354201773 /nfs/dbraw/zinc/20/17/73/354201773.db2.gz BYKZJPXNJCRYTE-HNNXBMFYSA-N 0 0 300.358 2.045 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2cccnc2N2CCOCC2)C1 ZINC000626318204 366146981 /nfs/dbraw/zinc/14/69/81/366146981.db2.gz GYUJUKDYZLMDCM-CQSZACIVSA-N 0 0 316.405 2.348 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)C1 ZINC000626397597 366173262 /nfs/dbraw/zinc/17/32/62/366173262.db2.gz NCOPNWCCSXBXSA-LBPRGKRZSA-N 0 0 323.418 2.488 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595568582 358487655 /nfs/dbraw/zinc/48/76/55/358487655.db2.gz WYOCIUCRGZTHTN-GXTWGEPZSA-N 0 0 321.381 2.225 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)Nc3c(C)n[nH]c3C)cc2C1=O ZINC000072679514 354913664 /nfs/dbraw/zinc/91/36/64/354913664.db2.gz MJSVYXKCUFLRLA-UHFFFAOYSA-N 0 0 324.340 2.061 10 30 DEEERN N#Cc1cc(Br)cnc1N1CC[C@@]2(CCOC2)C1 ZINC000450380315 283088221 /nfs/dbraw/zinc/08/82/21/283088221.db2.gz QJEGQSHGUKWVGM-CYBMUJFWSA-N 0 0 308.179 2.333 10 30 DEEERN CC[C@@H](C)C(C)N=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000004964492 181180248 /nfs/dbraw/zinc/18/02/48/181180248.db2.gz GZUFRBNITNPUQW-JLDJTVBFSA-N 0 0 314.367 2.076 10 30 DEEERN N#Cc1cc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)ccn1 ZINC000193854909 283091837 /nfs/dbraw/zinc/09/18/37/283091837.db2.gz SSPXITPWPMJQLA-GOSISDBHSA-N 0 0 302.337 2.134 10 30 DEEERN C[C@H](c1cccc(F)c1)N1CCN(c2nccnc2C#N)CC1 ZINC000092191443 355620861 /nfs/dbraw/zinc/62/08/61/355620861.db2.gz NKHLRIZAVYYLAX-CYBMUJFWSA-N 0 0 311.364 2.371 10 30 DEEERN C=CCOc1ccccc1CN(CC=C)[C@H]1CCS(=O)(=O)C1 ZINC000092361264 355630078 /nfs/dbraw/zinc/63/00/78/355630078.db2.gz NGJBXGCPZAWPHT-INIZCTEOSA-N 0 0 321.442 2.427 10 30 DEEERN CC(C)[C@@H](C)NC(=O)C1CCN(c2cnccc2C#N)CC1 ZINC000094152445 355694459 /nfs/dbraw/zinc/69/44/59/355694459.db2.gz YKXRNMIPLVEHSJ-CYBMUJFWSA-N 0 0 300.406 2.330 10 30 DEEERN CCNC(=O)c1c[nH]c2ncc(Oc3cccc(C#N)c3)nc12 ZINC000115990091 355772334 /nfs/dbraw/zinc/77/23/34/355772334.db2.gz WFGDEXSUFKYLNC-UHFFFAOYSA-N 0 0 307.313 2.372 10 30 DEEERN CCOC(=O)CCN(C(=O)c1ccc(C#N)cn1)C(C)(C)C ZINC000122298700 355800090 /nfs/dbraw/zinc/80/00/90/355800090.db2.gz RMAPMWQMOGBLFI-UHFFFAOYSA-N 0 0 303.362 2.147 10 30 DEEERN N#Cc1ccc(C(=O)N2Cc3cnnn3Cc3ccccc32)cc1 ZINC000188992348 283128668 /nfs/dbraw/zinc/12/86/68/283128668.db2.gz QUTHVZFOLFROIS-UHFFFAOYSA-N 0 0 315.336 2.358 10 30 DEEERN CN(C)S(=O)(=O)c1ccc(C(=O)c2ccc(C#N)cc2)cc1 ZINC000143759871 355900094 /nfs/dbraw/zinc/90/00/94/355900094.db2.gz RZPHIFBUCYVXQG-UHFFFAOYSA-N 0 0 314.366 2.040 10 30 DEEERN COCCCOC1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000180518093 356052315 /nfs/dbraw/zinc/05/23/15/356052315.db2.gz AGFVCDZFZBGFFY-UHFFFAOYSA-N 0 0 314.385 2.119 10 30 DEEERN N#C[C@H]1CCCN1CC(=O)Nc1ccccc1Br ZINC000079808335 191975024 /nfs/dbraw/zinc/97/50/24/191975024.db2.gz BOCRAAFKKQPXMQ-SNVBAGLBSA-N 0 0 308.179 2.376 10 30 DEEERN CCOC(=O)c1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)[nH]n1 ZINC000183277646 356165511 /nfs/dbraw/zinc/16/55/11/356165511.db2.gz LAEVQZXSFQSBLJ-UHFFFAOYSA-N 0 0 324.340 2.394 10 30 DEEERN COc1ccnc(N2CCN([C@@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000182738156 356142761 /nfs/dbraw/zinc/14/27/61/356142761.db2.gz AMGVXLSYAZDUDN-AWEZNQCLSA-N 0 0 323.400 2.240 10 30 DEEERN N#CC1(c2ccc(C(=O)NCc3nc4cccnc4[nH]3)cc2)CC1 ZINC000194238535 356236011 /nfs/dbraw/zinc/23/60/11/356236011.db2.gz FSEZZDUMVFFTCL-UHFFFAOYSA-N 0 0 317.352 2.443 10 30 DEEERN C=CCSCCNC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000194581088 356242524 /nfs/dbraw/zinc/24/25/24/356242524.db2.gz PMTHEVIDNSGSNG-UHFFFAOYSA-N 0 0 306.431 2.069 10 30 DEEERN C#C[C@@H](NN)c1ccc(Br)cc1Br ZINC000236177977 356289159 /nfs/dbraw/zinc/28/91/59/356289159.db2.gz XYOBYXQZFLRJTR-SECBINFHSA-N 0 0 303.985 2.349 10 30 DEEERN CC(C)[C@@H](NC(=O)c1cc(C#N)cn1C)c1nc(C2CC2)no1 ZINC000081085493 192224925 /nfs/dbraw/zinc/22/49/25/192224925.db2.gz FKRZOKCJGMWESV-CYBMUJFWSA-N 0 0 313.361 2.284 10 30 DEEERN COC(=O)c1c(C)ccc(I)c1C#N ZINC000306910302 356406328 /nfs/dbraw/zinc/40/63/28/356406328.db2.gz IKPYEYPVOLYDAO-UHFFFAOYSA-N 0 0 301.083 2.258 10 30 DEEERN Cc1cnc(CCNC(=O)c2cn(C)nc2[C@H]2CCOC2)s1 ZINC000328628145 356464270 /nfs/dbraw/zinc/46/42/70/356464270.db2.gz NJSSSJMAWMQZLP-NSHDSACASA-N 0 0 320.418 2.236 10 30 DEEERN COc1cc(C#N)cc(I)c1OC(C)=O ZINC000005726370 181277341 /nfs/dbraw/zinc/27/73/41/181277341.db2.gz OHYMLRHHKMVSGF-UHFFFAOYSA-N 0 0 317.082 2.097 10 30 DEEERN CN(C)c1ccc(N[C@H]2CCCN(C(=O)NC3CC3)CC2)cn1 ZINC000328644092 356466022 /nfs/dbraw/zinc/46/60/22/356466022.db2.gz RRBFXJWRGOBPTP-ZDUSSCGKSA-N 0 0 317.437 2.490 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1cccc(C[S@@](C)=O)c1 ZINC000081539133 192286724 /nfs/dbraw/zinc/28/67/24/192286724.db2.gz FMDIYOOXOIAMCC-NRFANRHFSA-N 0 0 301.371 2.028 10 30 DEEERN C=CCOCCCNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000618523578 363515482 /nfs/dbraw/zinc/51/54/82/363515482.db2.gz KQBZWHGDGSSWPE-LSDHHAIUSA-N 0 0 317.385 2.270 10 30 DEEERN C=CCOCCCNC(=O)CCC(=O)c1ccc(Cl)cn1 ZINC000618527060 363516789 /nfs/dbraw/zinc/51/67/89/363516789.db2.gz ZZWORFWMTULXAE-UHFFFAOYSA-N 0 0 310.781 2.407 10 30 DEEERN C=C[C@@H](O)C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000618540818 363520884 /nfs/dbraw/zinc/52/08/84/363520884.db2.gz ZQBFJSPRUVVJCB-CYBMUJFWSA-N 0 0 324.218 2.435 10 30 DEEERN C=CCOCCCNC(=O)c1cc(-c2cccc(OC)c2)n[nH]1 ZINC000618526648 363516834 /nfs/dbraw/zinc/51/68/34/363516834.db2.gz VKKQUBKABBMHMS-UHFFFAOYSA-N 0 0 315.373 2.408 10 30 DEEERN C=CCOCCCNC(=O)Cc1c[nH]c2cccc(OC)c12 ZINC000618526133 363517336 /nfs/dbraw/zinc/51/73/36/363517336.db2.gz LEXRVKFUGVUVCJ-UHFFFAOYSA-N 0 0 302.374 2.428 10 30 DEEERN Cc1ncc(S(=O)(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)cc1C#N ZINC000387339057 356702833 /nfs/dbraw/zinc/70/28/33/356702833.db2.gz UYCNYJWDNJEWBN-ZIBATOQPSA-N 0 0 307.419 2.365 10 30 DEEERN C=CCn1c(N2CCO[C@@H](CC)C2)nnc1[C@]1(C)CCCO1 ZINC000578294981 356790826 /nfs/dbraw/zinc/79/08/26/356790826.db2.gz ZKPAPKNGMKXXEV-BBRMVZONSA-N 0 0 306.410 2.105 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)Cc1cccc(O)c1 ZINC000578317663 356796840 /nfs/dbraw/zinc/79/68/40/356796840.db2.gz RMVPSHFPYMIIMY-NOLJZWGESA-N 0 0 304.390 2.214 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000579346467 356960434 /nfs/dbraw/zinc/96/04/34/356960434.db2.gz YDQQTCVLYSGYCP-RDJZCZTQSA-N 0 0 321.442 2.435 10 30 DEEERN C[C@H]1N(c2nnc(-c3ccc(C#N)cc3)n2C)CCOC1(C)C ZINC000584682064 357291229 /nfs/dbraw/zinc/29/12/29/357291229.db2.gz FZZSQCKLCRKUCI-GFCCVEGCSA-N 0 0 311.389 2.357 10 30 DEEERN Cc1noc(C)c1CO/N=C/C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005858877 181290504 /nfs/dbraw/zinc/29/05/04/181290504.db2.gz AJQOAYQLMSUTNW-VIZOYTHASA-N 0 0 318.289 2.341 10 30 DEEERN CC[C@H]1CCC[C@@H]1NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586862542 357378029 /nfs/dbraw/zinc/37/80/29/357378029.db2.gz ZTNIWFIXSNPKKR-WFASDCNBSA-N 0 0 317.364 2.008 10 30 DEEERN CC[C@@H](NC(=O)c1cc(C#N)ccn1)c1nnc2n1CCCCC2 ZINC000287584596 219607030 /nfs/dbraw/zinc/60/70/30/219607030.db2.gz CKSGQJBAFIPIOP-CYBMUJFWSA-N 0 0 324.388 2.152 10 30 DEEERN Cc1cc(C#N)cc(N2CCN(C(=O)c3ccsc3)CC2)n1 ZINC000587368679 357381306 /nfs/dbraw/zinc/38/13/06/357381306.db2.gz LHSSKZKOSSJZBU-UHFFFAOYSA-N 0 0 312.398 2.286 10 30 DEEERN Cc1nc(N2CCC[C@@H]2c2ccc(N(C)C)nn2)ccc1C#N ZINC000591611694 357742758 /nfs/dbraw/zinc/74/27/58/357742758.db2.gz BQZOSRQZQKYTMH-OAHLLOKOSA-N 0 0 308.389 2.459 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC(=O)C1 ZINC000592755015 357936322 /nfs/dbraw/zinc/93/63/22/357936322.db2.gz IGYZIWWKGALJAX-CYBMUJFWSA-N 0 0 302.330 2.479 10 30 DEEERN C=CC[C@H](C)NC(=O)c1cnn2cc(Br)cnc12 ZINC000179583095 199058801 /nfs/dbraw/zinc/05/88/01/199058801.db2.gz CLOAUGMYRYOROA-QMMMGPOBSA-N 0 0 309.167 2.186 10 30 DEEERN C=CCC[C@@H](NC(=O)c1ncccc1SC)C(=O)OCC ZINC000593739256 358134415 /nfs/dbraw/zinc/13/44/15/358134415.db2.gz XMEZADNEUKFSTI-LLVKDONJSA-N 0 0 308.403 2.431 10 30 DEEERN C=CCCn1cc(C[S@](=O)Cc2cccc(OCC)n2)nn1 ZINC000593937774 358174916 /nfs/dbraw/zinc/17/49/16/358174916.db2.gz ZQDXJMULFGAEOO-JOCHJYFZSA-N 0 0 320.418 2.097 10 30 DEEERN C=CCCn1cc(C[S@@](=O)Cc2ccn(C(C)C)n2)nn1 ZINC000593935991 358175059 /nfs/dbraw/zinc/17/50/59/358175059.db2.gz MZYNPADTTVPIJX-NRFANRHFSA-N 0 0 307.423 2.081 10 30 DEEERN CC(=O)N[C@H](C(=O)N1Cc2ccc(C#N)cc2C1)C1CCCC1 ZINC000594137173 358212754 /nfs/dbraw/zinc/21/27/54/358212754.db2.gz MQIYPVCSUFYYHH-KRWDZBQOSA-N 0 0 311.385 2.095 10 30 DEEERN C=CCCn1cc(CS[C@@H](C)c2nc(COC)no2)nn1 ZINC000594560045 358294307 /nfs/dbraw/zinc/29/43/07/358294307.db2.gz ZIFPWMLBLGHVNO-JTQLQIEISA-N 0 0 309.395 2.378 10 30 DEEERN C=CCCn1cc(CS[C@H](C)C(=O)NCC(F)(F)F)nn1 ZINC000594565182 358294829 /nfs/dbraw/zinc/29/48/29/358294829.db2.gz RVIIUGSJWXVLKH-SECBINFHSA-N 0 0 322.356 2.154 10 30 DEEERN C=CCCn1cc(CS[C@H](Cc2ccccc2)C(N)=O)nn1 ZINC000594565042 358295052 /nfs/dbraw/zinc/29/50/52/358295052.db2.gz BXOUGAMCKQVIDB-OAHLLOKOSA-N 0 0 316.430 2.184 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cncc(C#N)c1 ZINC000594790148 358337461 /nfs/dbraw/zinc/33/74/61/358337461.db2.gz SIAHGURXHRBAJN-ZFWWWQNUSA-N 0 0 305.403 2.366 10 30 DEEERN C=CCCCS(=O)(=O)N(CC(=O)OC)C1CCCCC1 ZINC000594821132 358344218 /nfs/dbraw/zinc/34/42/18/358344218.db2.gz CISDDAXKGDANHC-UHFFFAOYSA-N 0 0 303.424 2.090 10 30 DEEERN C=CCSCCNS(=O)(=O)C[C@H](C)CC(F)(F)F ZINC000594752175 358333593 /nfs/dbraw/zinc/33/35/93/358333593.db2.gz MEQGHAMGCFDXJZ-SECBINFHSA-N 0 0 305.387 2.414 10 30 DEEERN C=CCOCCNC(=O)Nc1ccc2c(c1)[C@H](C)CC(=O)N2C ZINC000627052719 366422991 /nfs/dbraw/zinc/42/29/91/366422991.db2.gz FKRHONMKNONDAS-GFCCVEGCSA-N 0 0 317.389 2.481 10 30 DEEERN C=CCN(CC=C)C(=O)COc1ccc(C(=O)OC)c(C)c1 ZINC000594916208 358357298 /nfs/dbraw/zinc/35/72/98/358357298.db2.gz ZJGNCIDTQIDPME-UHFFFAOYSA-N 0 0 303.358 2.361 10 30 DEEERN C=CCOCCCNC(=O)C(=O)Nc1ccc(CSC)cc1 ZINC000595165372 358398201 /nfs/dbraw/zinc/39/82/01/358398201.db2.gz PSUGHDDKQNIRIU-UHFFFAOYSA-N 0 0 322.430 2.197 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000595209671 358401887 /nfs/dbraw/zinc/40/18/87/358401887.db2.gz MCRZHPPAAVOMEN-OKILXGFUSA-N 0 0 313.332 2.345 10 30 DEEERN CC(=O)N1CCC(CNc2cc(C)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000596114952 358614589 /nfs/dbraw/zinc/61/45/89/358614589.db2.gz PDOXNUJWIXAFJA-UHFFFAOYSA-N 0 0 316.361 2.445 10 30 DEEERN C=CCCn1cc(CSCc2onc(C)c2[N+](=O)[O-])nn1 ZINC000596369211 358673877 /nfs/dbraw/zinc/67/38/77/358673877.db2.gz FIPCXRPMJLLGSQ-UHFFFAOYSA-N 0 0 309.351 2.492 10 30 DEEERN C=CCCSCCNC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O ZINC000596718533 358745907 /nfs/dbraw/zinc/74/59/07/358745907.db2.gz ZNAFLZZXIKIAGV-QWHCGFSZSA-N 0 0 313.467 2.029 10 30 DEEERN C=CCOCCCNC(=O)Nc1ccc([S@@](C)=O)c(F)c1 ZINC000596768660 358756952 /nfs/dbraw/zinc/75/69/52/358756952.db2.gz ASSCSYOWAYLBLH-OAQYLSRUSA-N 0 0 314.382 2.277 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000596618988 358725159 /nfs/dbraw/zinc/72/51/59/358725159.db2.gz GHIQBSOGUCWCGI-ZDUSSCGKSA-N 0 0 305.334 2.313 10 30 DEEERN N#Cc1ccc(NC(=O)N2CCO[C@]3(CCOC3)C2)cc1Cl ZINC000185351215 199841739 /nfs/dbraw/zinc/84/17/39/199841739.db2.gz WFVAVWZBFWGNMY-OAHLLOKOSA-N 0 0 321.764 2.235 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(C(=O)OC(C)(C)C)ccn1 ZINC000596954453 358793248 /nfs/dbraw/zinc/79/32/48/358793248.db2.gz GLCGZAHIWHYWHD-GFCCVEGCSA-N 0 0 321.377 2.095 10 30 DEEERN C=CCOc1cccc(CN2CCC[C@@]2(COC)C(=O)OC)c1 ZINC000597223009 358859820 /nfs/dbraw/zinc/85/98/20/358859820.db2.gz YVUDGEBPLUMSGL-GOSISDBHSA-N 0 0 319.401 2.405 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C(=O)OC)cc1F ZINC000597157156 358837325 /nfs/dbraw/zinc/83/73/25/358837325.db2.gz RATKQTDXIGVQOC-CQSZACIVSA-N 0 0 322.336 2.022 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(COC)c(OC)c1 ZINC000627351622 366507344 /nfs/dbraw/zinc/50/73/44/366507344.db2.gz YJCTUSNVQYAVNI-UHFFFAOYSA-N 0 0 320.389 2.205 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](SC)C(C)(C)C ZINC000597493728 358932295 /nfs/dbraw/zinc/93/22/95/358932295.db2.gz DEYSZILGYGWGLN-QWHCGFSZSA-N 0 0 300.468 2.351 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC3CC2(C(=O)OC)C3)cc1 ZINC000598055088 359079982 /nfs/dbraw/zinc/07/99/82/359079982.db2.gz DCDYKXGXLCTSDU-UHFFFAOYSA-N 0 0 301.342 2.029 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000598160698 359110324 /nfs/dbraw/zinc/11/03/24/359110324.db2.gz JSKKTOHNOZVADB-KRWDZBQOSA-N 0 0 309.406 2.372 10 30 DEEERN C=CCCSCCNC(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC000597969796 359054144 /nfs/dbraw/zinc/05/41/44/359054144.db2.gz GSPFZNHTYIXEDT-UHFFFAOYSA-N 0 0 304.419 2.454 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnc(-c2ccc(OC)cc2)s1 ZINC000185876195 199898285 /nfs/dbraw/zinc/89/82/85/199898285.db2.gz NYZKMNAIZLGKGG-LBPRGKRZSA-N 0 0 318.398 2.486 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnn(-c2ccccc2C)c1CC ZINC000186370338 199950098 /nfs/dbraw/zinc/95/00/98/199950098.db2.gz QXWRORDUVFBBLL-AWEZNQCLSA-N 0 0 313.401 2.410 10 30 DEEERN C=CCOCCCC(=O)N1CCCc2nc(C(=O)OC)ccc21 ZINC000598877524 359349316 /nfs/dbraw/zinc/34/93/16/359349316.db2.gz NLUXILQWYFGVLZ-UHFFFAOYSA-N 0 0 318.373 2.130 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2csc(C(=O)OC)c2)C1 ZINC000599373845 359481372 /nfs/dbraw/zinc/48/13/72/359481372.db2.gz DVTJUHXHUHSZSH-SNVBAGLBSA-N 0 0 315.416 2.121 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000599373756 359481816 /nfs/dbraw/zinc/48/18/16/359481816.db2.gz DAXRSSMUFPVJNF-GFCCVEGCSA-N 0 0 310.375 2.490 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)C1 ZINC000599378251 359483448 /nfs/dbraw/zinc/48/34/48/359483448.db2.gz JJQSKQXKSWCHCR-OAHLLOKOSA-N 0 0 304.415 2.480 10 30 DEEERN CC#CCN(C)C(=O)Nc1ccc(O[C@@H](C)C(=O)OC)c(F)c1 ZINC000599865800 359614357 /nfs/dbraw/zinc/61/43/57/359614357.db2.gz HYVQBHNQGASBIS-NSHDSACASA-N 0 0 322.336 2.253 10 30 DEEERN C=C[C@H](C)NC(=O)Nc1ccc(O[C@@H](C)C(=O)OC)c(F)c1 ZINC000599870146 359614478 /nfs/dbraw/zinc/61/44/78/359614478.db2.gz NCKOHCYLDAJFBD-UWVGGRQHSA-N 0 0 310.325 2.462 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@@H](CC(=O)OCC)C(F)(F)F)C1 ZINC000599806070 359600642 /nfs/dbraw/zinc/60/06/42/359600642.db2.gz OVYHGXXPBSUEKN-QWRGUYRKSA-N 0 0 322.327 2.478 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000599995598 359631319 /nfs/dbraw/zinc/63/13/19/359631319.db2.gz SKEWLYOCLLQKOY-UHFFFAOYSA-N 0 0 303.337 2.354 10 30 DEEERN C=CC[C@H]1CCN(C(=O)COc2ccc(C#N)cc2OC)C1 ZINC000600213086 359692309 /nfs/dbraw/zinc/69/23/09/359692309.db2.gz AYJNPZCJRJHHAL-ZDUSSCGKSA-N 0 0 300.358 2.370 10 30 DEEERN C=C(C)[C@H](CC(=O)NCc1ccc(CC(=O)OC)cc1)OCC ZINC000600222440 359694459 /nfs/dbraw/zinc/69/44/59/359694459.db2.gz HKQJMIIFUXROPB-INIZCTEOSA-N 0 0 319.401 2.390 10 30 DEEERN C=CCCOCC(=O)N1CCc2c(F)ccc(C(=O)OC)c2C1 ZINC000600249815 359703621 /nfs/dbraw/zinc/70/36/21/359703621.db2.gz ZFPOBGMUKXXLPK-UHFFFAOYSA-N 0 0 321.348 2.090 10 30 DEEERN C=CCC1(C(=O)N2CC[C@@](OC)(C(=O)OC)C2)CCCCC1 ZINC000600298677 359715106 /nfs/dbraw/zinc/71/51/06/359715106.db2.gz HKKWPMHLGOXSII-KRWDZBQOSA-N 0 0 309.406 2.304 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000187911878 200175617 /nfs/dbraw/zinc/17/56/17/200175617.db2.gz DLXDJNWPDWRNHP-QAPCUYQASA-N 0 0 302.418 2.404 10 30 DEEERN C=CCCO[C@H](C)C(=O)NC[C@H](C(=O)OC)C1CCCCC1 ZINC000600414515 359737004 /nfs/dbraw/zinc/73/70/04/359737004.db2.gz MUGJAHLICSHLAX-HIFRSBDPSA-N 0 0 311.422 2.453 10 30 DEEERN C=CCCSCCN1C(=O)N[C@H](C[C@@H]2CCCOC2)C1=O ZINC000600704583 359803698 /nfs/dbraw/zinc/80/36/98/359803698.db2.gz WTBCWIWVOIZYPY-QWHCGFSZSA-N 0 0 312.435 2.033 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@@H]2C[C@@H](O)C23CCC3)cc1 ZINC000619069019 363691988 /nfs/dbraw/zinc/69/19/88/363691988.db2.gz GYYDAOCGTXGXCK-HZPDHXFCSA-N 0 0 301.386 2.214 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc3c(cc2C)OCO3)C1 ZINC000627734000 366603394 /nfs/dbraw/zinc/60/33/94/366603394.db2.gz IWZAQDCKBVHXMB-LBPRGKRZSA-N 0 0 316.357 2.087 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2c(C)noc2C2CC2)C1 ZINC000627733740 366603618 /nfs/dbraw/zinc/60/36/18/366603618.db2.gz BUKRKEZQEMFHHE-LLVKDONJSA-N 0 0 303.362 2.224 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000627735772 366604369 /nfs/dbraw/zinc/60/43/69/366604369.db2.gz BQJSDHAXBXCCLG-LBPRGKRZSA-N 0 0 318.373 2.067 10 30 DEEERN C=CCC[C@H](C(=O)NCC(=O)N1CCCO1)c1ccccc1 ZINC000627888530 366648563 /nfs/dbraw/zinc/64/85/63/366648563.db2.gz NCBSEKZUVRDGPV-HNNXBMFYSA-N 0 0 302.374 2.017 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1ccccc1C(=O)OC(C)(C)C ZINC000601438565 360040121 /nfs/dbraw/zinc/04/01/21/360040121.db2.gz BICXCPBCKMFJFY-CQSZACIVSA-N 0 0 319.401 2.238 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[C@@H]1CSC ZINC000601471013 360050191 /nfs/dbraw/zinc/05/01/91/360050191.db2.gz RPOFKAVZTVXROJ-CYBMUJFWSA-N 0 0 312.479 2.449 10 30 DEEERN C=C(C)C[C@H](NS(=O)(=O)c1cccc(CC)c1)C(=O)OC ZINC000601501844 360055495 /nfs/dbraw/zinc/05/54/95/360055495.db2.gz HQFMJHKRHQZSQR-AWEZNQCLSA-N 0 0 311.403 2.035 10 30 DEEERN C=C(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(=O)OC ZINC000601502347 360055587 /nfs/dbraw/zinc/05/55/87/360055587.db2.gz OENGWBARVBSAQX-MRVPVSSYSA-N 0 0 323.823 2.188 10 30 DEEERN C=C(C)C[C@@H](NS(=O)(=O)c1sccc1Cl)C(=O)OC ZINC000601501437 360055597 /nfs/dbraw/zinc/05/55/97/360055597.db2.gz NUWUWSQBIIKHEW-SECBINFHSA-N 0 0 323.823 2.188 10 30 DEEERN C=CCCSCCNC(=O)C(=O)N1CCC(CCF)CC1 ZINC000601518380 360061020 /nfs/dbraw/zinc/06/10/20/360061020.db2.gz CPDOILNOZPYJQQ-UHFFFAOYSA-N 0 0 316.442 2.010 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)CC1(C(=O)OCC)CCOCC1 ZINC000601537147 360065824 /nfs/dbraw/zinc/06/58/24/360065824.db2.gz VDXDIAYEHNGYLA-AWEZNQCLSA-N 0 0 309.406 2.304 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)cn1)C(=O)OC ZINC000601778775 360144675 /nfs/dbraw/zinc/14/46/75/360144675.db2.gz QKUAWLHGVJANAH-NSHDSACASA-N 0 0 316.279 2.338 10 30 DEEERN C=C(C)C[C@H](NC(=O)CSCc1cscn1)C(=O)OC ZINC000601783045 360146671 /nfs/dbraw/zinc/14/66/71/360146671.db2.gz UNGVGWKQIRZWJV-NSHDSACASA-N 0 0 314.432 2.000 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccnc(OC(C)C)c1)C(=O)OC ZINC000601783069 360146873 /nfs/dbraw/zinc/14/68/73/360146873.db2.gz UZPBOXXRSRKOIO-ZDUSSCGKSA-N 0 0 306.362 2.106 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)OC ZINC000601784831 360147427 /nfs/dbraw/zinc/14/74/27/360147427.db2.gz HRGUFAFZBCHWKA-ZDUSSCGKSA-N 0 0 300.358 2.416 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H]1C[C@@]1(F)c1ccccc1)C(=O)OC ZINC000601785796 360148472 /nfs/dbraw/zinc/14/84/72/360148472.db2.gz VBIBFQNQGYZYQW-JKIFEVAISA-N 0 0 305.349 2.495 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1)C(=O)OC ZINC000601785211 360148787 /nfs/dbraw/zinc/14/87/87/360148787.db2.gz QPMYEGTVWXFSEE-ARFHVFGLSA-N 0 0 317.385 2.423 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H]1CCc2cc(F)ccc21)C(=O)OC ZINC000601786283 360149463 /nfs/dbraw/zinc/14/94/63/360149463.db2.gz XSABTWLLIOJRKS-GJZGRUSLSA-N 0 0 305.349 2.480 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cnn([C@H](C)CC)c1C)C(=O)OC ZINC000601786690 360149782 /nfs/dbraw/zinc/14/97/82/360149782.db2.gz HUFUZCXHVFBSED-BXUZGUMPSA-N 0 0 307.394 2.400 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(C(=O)OCC)CCOCC1 ZINC000601671835 360107817 /nfs/dbraw/zinc/10/78/17/360107817.db2.gz RVXOXMRKPRXLNG-GASCZTMLSA-N 0 0 321.417 2.446 10 30 DEEERN C=C(C)Cn1c(-c2cc[nH]n2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC000601869567 360179360 /nfs/dbraw/zinc/17/93/60/360179360.db2.gz HSWITTDRMACALZ-GXTWGEPZSA-N 0 0 311.393 2.373 10 30 DEEERN C=CCSCCNC(=O)C[C@@H](n1ccnc1)C(F)(F)F ZINC000602088112 360259339 /nfs/dbraw/zinc/25/93/39/360259339.db2.gz KMQYUKLPWOKXRB-SNVBAGLBSA-N 0 0 307.341 2.412 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000602377042 360352999 /nfs/dbraw/zinc/35/29/99/360352999.db2.gz MZSISUUWCCHLCA-JTQLQIEISA-N 0 0 304.302 2.362 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000602242634 360321561 /nfs/dbraw/zinc/32/15/61/360321561.db2.gz OWPNJUFHNMJSBZ-ZDUSSCGKSA-N 0 0 313.401 2.454 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ncsc1C(F)(F)F)C(=O)OC ZINC000602410936 360360380 /nfs/dbraw/zinc/36/03/80/360360380.db2.gz AXJPADPXADPSSK-ZETCQYMHSA-N 0 0 322.308 2.400 10 30 DEEERN C=C(C)C[C@H](NCc1cc(OC)c(OC)cc1F)C(=O)OC ZINC000602740630 360529518 /nfs/dbraw/zinc/52/95/18/360529518.db2.gz XZBQLQFZINKBEC-ZDUSSCGKSA-N 0 0 311.353 2.440 10 30 DEEERN CC(=O)N(C)c1ccc(NC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)cn1 ZINC000603037409 360677454 /nfs/dbraw/zinc/67/74/54/360677454.db2.gz DWVYPFBJDDIGAL-TZMCWYRMSA-N 0 0 315.377 2.220 10 30 DEEERN C[C@H]1OCCC[C@@H]1C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000190905418 200602826 /nfs/dbraw/zinc/60/28/26/200602826.db2.gz AKEHFCPPCQMGMT-ZBFHGGJFSA-N 0 0 313.401 2.022 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NCC2CCC(C#N)CC2)s1 ZINC000443220524 238109551 /nfs/dbraw/zinc/10/95/51/238109551.db2.gz AEGPRWDZUCEWGF-UHFFFAOYSA-N 0 0 309.416 2.228 10 30 DEEERN N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCCn3nccc32)cc1 ZINC000609100290 361278277 /nfs/dbraw/zinc/27/82/77/361278277.db2.gz POYWKGPAGPYIKV-INIZCTEOSA-N 0 0 321.384 2.160 10 30 DEEERN C=CCC1(NC(=O)c2ncc3c(F)cccn32)CCOCC1 ZINC000628080133 366713802 /nfs/dbraw/zinc/71/38/02/366713802.db2.gz NTOQYXTVKRLNBY-UHFFFAOYSA-N 0 0 303.337 2.329 10 30 DEEERN C=CCOc1c(Cl)cc(CN2CCNC(=O)CC2)cc1OC ZINC000628163502 366747361 /nfs/dbraw/zinc/74/73/61/366747361.db2.gz FMIXLDRZHRYYDT-UHFFFAOYSA-N 0 0 324.808 2.235 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1cc(S(N)(=O)=O)cc(C)c1C ZINC000628315070 366806164 /nfs/dbraw/zinc/80/61/64/366806164.db2.gz XXERJEXVEWWYFF-UHFFFAOYSA-N 0 0 324.446 2.283 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000628312546 366806465 /nfs/dbraw/zinc/80/64/65/366806465.db2.gz GIDFRGCJBWUAHN-GOSISDBHSA-N 0 0 300.402 2.163 10 30 DEEERN C=CCCO[C@H](C)C(=O)NC[C@H](n1cccn1)C(F)(F)F ZINC000628333108 366816019 /nfs/dbraw/zinc/81/60/19/366816019.db2.gz NBLDEGRQHJVZRW-MNOVXSKESA-N 0 0 305.300 2.084 10 30 DEEERN N#Cc1ccc(CNC(=O)c2cnn(-c3cccnc3)c2)c(F)c1 ZINC000610729661 361454254 /nfs/dbraw/zinc/45/42/54/361454254.db2.gz PKDWNTZRHVGZMR-UHFFFAOYSA-N 0 0 321.315 2.208 10 30 DEEERN C=CCOCCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000611544860 361627181 /nfs/dbraw/zinc/62/71/81/361627181.db2.gz FLRPLOUJZBIJRH-LBPRGKRZSA-N 0 0 307.350 2.466 10 30 DEEERN COCC1(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC000611513465 361619932 /nfs/dbraw/zinc/61/99/32/361619932.db2.gz RQXOJDXGXSLCQD-UHFFFAOYSA-N 0 0 314.385 2.355 10 30 DEEERN C[C@H](C#N)CNC(=O)N[C@@H](Cc1nccn1C)c1ccccc1 ZINC000611626199 361648302 /nfs/dbraw/zinc/64/83/02/361648302.db2.gz CMCKKCSMMUIGGY-HIFRSBDPSA-N 0 0 311.389 2.163 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC1(CCOC)CC1 ZINC000611664574 361654134 /nfs/dbraw/zinc/65/41/34/361654134.db2.gz BVOHNGSILFGAKK-HUUCEWRRSA-N 0 0 322.449 2.170 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ncc(C(C)(C)C)o1 ZINC000611783696 361681004 /nfs/dbraw/zinc/68/10/04/361681004.db2.gz AQQWBKRLTNKMKI-LBPRGKRZSA-N 0 0 307.394 2.059 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[C@@H](C)O[C@H]1C ZINC000611971205 361716387 /nfs/dbraw/zinc/71/63/87/361716387.db2.gz KKBJFFXAHROVDO-LEOABGAYSA-N 0 0 322.449 2.167 10 30 DEEERN CCCN(Cc1ccccc1F)C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000619585990 363833798 /nfs/dbraw/zinc/83/37/98/363833798.db2.gz IEESJWBIIHEOEU-GFCCVEGCSA-N 0 0 315.352 2.289 10 30 DEEERN C=C[C@H](N[C@@H](C)c1nc(C)c(C(=O)OCC)s1)C(=O)OC ZINC000619701942 363860208 /nfs/dbraw/zinc/86/02/08/363860208.db2.gz ANVQRXUBEFUVAU-UWVGGRQHSA-N 0 0 312.391 2.006 10 30 DEEERN C=C[C@@H](C(=O)OC)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000619717544 363862710 /nfs/dbraw/zinc/86/27/10/363862710.db2.gz PDFOTFYTZBWPLN-INIZCTEOSA-N 0 0 300.358 2.129 10 30 DEEERN C[C@H](C(=O)Nc1nc(C2CCC2)cs1)n1cnc(C#N)n1 ZINC000619599866 363837734 /nfs/dbraw/zinc/83/77/34/363837734.db2.gz JIOUQHVJHDNLST-MRVPVSSYSA-N 0 0 302.363 2.073 10 30 DEEERN N#CC1CCC(CNC(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 ZINC000619659585 363849987 /nfs/dbraw/zinc/84/99/87/363849987.db2.gz MDGZDNJXKJDFHF-UHFFFAOYSA-N 0 0 318.352 2.376 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCCNC(=O)c1cccnc1 ZINC000620306649 364014094 /nfs/dbraw/zinc/01/40/94/364014094.db2.gz LLUSEOUSQYXDRF-IYBDPMFKSA-N 0 0 313.401 2.301 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000620135858 363967905 /nfs/dbraw/zinc/96/79/05/363967905.db2.gz DAZBQWHSRMTOGU-UONOGXRCSA-N 0 0 317.385 2.369 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCCN1C1CCCC1 ZINC000620304162 364012870 /nfs/dbraw/zinc/01/28/70/364012870.db2.gz RNVLPGOVGVVZPS-IXDOHACOSA-N 0 0 304.434 2.339 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCOc2ccc(O)cc2C1 ZINC000620346601 364020715 /nfs/dbraw/zinc/02/07/15/364020715.db2.gz QKKNDDGDTIOLNP-QGZVFWFLSA-N 0 0 305.374 2.342 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCc2c(cccc2C(N)=O)C1)OCC ZINC000620894828 364191347 /nfs/dbraw/zinc/19/13/47/364191347.db2.gz QTZHIQWIVMSJPK-MRXNPFEDSA-N 0 0 316.401 2.042 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)C1 ZINC000628482153 366862513 /nfs/dbraw/zinc/86/25/13/366862513.db2.gz GATXWNHYHYAEDL-WBVHZDCISA-N 0 0 312.413 2.460 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C[C@@H](NC(N)=O)c2cccs2)C1 ZINC000628484529 366863969 /nfs/dbraw/zinc/86/39/69/366863969.db2.gz OZSSLDUCUVEGMR-VXGBXAGGSA-N 0 0 307.419 2.272 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C[C@H]2Oc3ccccc3NC2=O)C1 ZINC000628484795 366864044 /nfs/dbraw/zinc/86/40/44/366864044.db2.gz VJPDXSXQKWXUEY-IUODEOHRSA-N 0 0 300.358 2.201 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCCN(C)c2ccccc21 ZINC000622809667 364800771 /nfs/dbraw/zinc/80/07/71/364800771.db2.gz PHYSCIRHQUFVSR-OAHLLOKOSA-N 0 0 315.417 2.330 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000623003834 364853432 /nfs/dbraw/zinc/85/34/32/364853432.db2.gz XGLJGOHANDOFRU-SWLSCSKDSA-N 0 0 307.415 2.375 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccnc(OC(C)C)c1 ZINC000622849008 364811569 /nfs/dbraw/zinc/81/15/69/364811569.db2.gz NBZHZGUOBNLXAC-CQSZACIVSA-N 0 0 305.378 2.278 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ncc(CCCC)cn1 ZINC000622881102 364819361 /nfs/dbraw/zinc/81/93/61/364819361.db2.gz QUYXSQNICUXZEN-AWEZNQCLSA-N 0 0 304.394 2.229 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(Cc2ccsc2)C1 ZINC000623041871 364865302 /nfs/dbraw/zinc/86/53/02/364865302.db2.gz BQNKBZXRQGAVOC-HNNXBMFYSA-N 0 0 306.431 2.220 10 30 DEEERN C=CC(C)(C)CNC(=O)N1Cc2ccccc2N(C)C(=O)C1 ZINC000623216942 364926132 /nfs/dbraw/zinc/92/61/32/364926132.db2.gz PZDSVTYNOMVQPE-UHFFFAOYSA-N 0 0 301.390 2.387 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000623481039 365046081 /nfs/dbraw/zinc/04/60/81/365046081.db2.gz RGAWFGGRJHYYRP-CABCVRRESA-N 0 0 315.421 2.053 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000623638948 365114372 /nfs/dbraw/zinc/11/43/72/365114372.db2.gz XYKLESUTYZTXAQ-SNVBAGLBSA-N 0 0 321.343 2.051 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000091241196 193025769 /nfs/dbraw/zinc/02/57/69/193025769.db2.gz FTQCBYHRQYASFB-HNNXBMFYSA-N 0 0 324.446 2.380 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000624463042 365429831 /nfs/dbraw/zinc/42/98/31/365429831.db2.gz OYYPUUBKNJWUGG-AWEZNQCLSA-N 0 0 307.438 2.243 10 30 DEEERN C=CCN(C(=O)c1coc(C(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000624490032 365441899 /nfs/dbraw/zinc/44/18/99/365441899.db2.gz LNTWGZCITXUMBA-SNVBAGLBSA-N 0 0 319.329 2.033 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NC[C@@H]2CCCN2CC(F)F)C1 ZINC000624565740 365474633 /nfs/dbraw/zinc/47/46/33/365474633.db2.gz GRLWPJRWTVWVDD-STQMWFEESA-N 0 0 301.381 2.324 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC(C)(C)c1ccc(C)cn1 ZINC000628716483 366940840 /nfs/dbraw/zinc/94/08/40/366940840.db2.gz ORIPCPNAQCFJJA-OAHLLOKOSA-N 0 0 317.433 2.255 10 30 DEEERN C=C[C@@](C)(O)C(=O)N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000629009304 367047392 /nfs/dbraw/zinc/04/73/92/367047392.db2.gz UFLMPFDOGWJHGH-QGZVFWFLSA-N 0 0 319.405 2.055 10 30 DEEERN C=CCCn1cc(CSc2ncc3c(n2)CCCC3=O)nn1 ZINC000629195018 367114818 /nfs/dbraw/zinc/11/48/18/367114818.db2.gz UWHQUXDFLIHYRM-UHFFFAOYSA-N 0 0 315.402 2.456 10 30 DEEERN C=CCSc1ccccc1C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629206256 367119044 /nfs/dbraw/zinc/11/90/44/367119044.db2.gz PMJXODIVAQGSIG-TXEJJXNPSA-N 0 0 304.415 2.301 10 30 DEEERN C=C[C@](C)(O)C(=O)N1CC(Cc2ccccc2Br)C1 ZINC000629604447 367271176 /nfs/dbraw/zinc/27/11/76/367271176.db2.gz VIMSLEYIYSMQOO-HNNXBMFYSA-N 0 0 324.218 2.387 10 30 DEEERN C=CCOc1ccc(C(=O)NC[C@H]2C[C@@H](OC)C2)cc1OC ZINC000629825518 367340990 /nfs/dbraw/zinc/34/09/90/367340990.db2.gz VMDVLQQLPPSEMW-XBXGTLAGSA-N 0 0 305.374 2.415 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H](CO)C[C@H]1C ZINC000629674246 367297112 /nfs/dbraw/zinc/29/71/12/367297112.db2.gz FUQCXILDDJNURN-ZIAGYGMSSA-N 0 0 319.401 2.493 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CCOCC3(CC3)C2)cc1 ZINC000450533330 241929616 /nfs/dbraw/zinc/92/96/16/241929616.db2.gz UAJBHFJFQPCYLM-UHFFFAOYSA-N 0 0 301.386 2.433 10 30 DEEERN C=C1CC(C)(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)C1 ZINC000630613849 367759030 /nfs/dbraw/zinc/75/90/30/367759030.db2.gz BQTSDYOOWOYEME-UHFFFAOYSA-N 0 0 324.428 2.335 10 30 DEEERN C=C1CC(C)(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000630624837 367763973 /nfs/dbraw/zinc/76/39/73/367763973.db2.gz QALPCZHCEMLGPZ-UHFFFAOYSA-N 0 0 320.414 2.422 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2ccc(OC)c(COC)c2)C1=O ZINC000630540755 367715644 /nfs/dbraw/zinc/71/56/44/367715644.db2.gz GNSANLFMCVWCOX-ZDUSSCGKSA-N 0 0 304.346 2.233 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2ccc(OC)c(COC)c2)C1=O ZINC000630540754 367715913 /nfs/dbraw/zinc/71/59/13/367715913.db2.gz GNSANLFMCVWCOX-CYBMUJFWSA-N 0 0 304.346 2.233 10 30 DEEERN C=C1CC(C)(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)C1 ZINC000630747449 367826979 /nfs/dbraw/zinc/82/69/79/367826979.db2.gz RIJBGRSWNUISGP-AWEZNQCLSA-N 0 0 315.417 2.279 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCc2cnn(-c3ccccc3)c2)C1=O ZINC000630964757 367939239 /nfs/dbraw/zinc/93/92/39/367939239.db2.gz KNFBRODNEDVVDD-MRXNPFEDSA-N 0 0 324.384 2.301 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCCn2cnc3ccccc32)C1=O ZINC000630966359 367940105 /nfs/dbraw/zinc/94/01/05/367940105.db2.gz WYHSIGNDQGYSMZ-CQSZACIVSA-N 0 0 312.373 2.313 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCCc2nc(C(C)C)no2)C1=O ZINC000630973305 367945229 /nfs/dbraw/zinc/94/52/29/367945229.db2.gz ZGNHQVODBNKNDL-LLVKDONJSA-N 0 0 306.366 2.012 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@@H](C)Oc2cccc(OC)c2)C1=O ZINC000630977699 367947790 /nfs/dbraw/zinc/94/77/90/367947790.db2.gz WPBFGMFPZNLAEB-IUODEOHRSA-N 0 0 318.373 2.349 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H](C[C@H](C)O)c2ccccc2)C1=O ZINC000630978858 367948539 /nfs/dbraw/zinc/94/85/39/367948539.db2.gz NDBAOYOGJXVRLU-IMJJTQAJSA-N 0 0 316.401 2.428 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1=O ZINC000630980188 367948657 /nfs/dbraw/zinc/94/86/57/367948657.db2.gz ZHJSRCUWZCRSEU-FQUUOJAGSA-N 0 0 304.390 2.221 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H](c2ccnn2C)C(C)C)C1=O ZINC000630983941 367949323 /nfs/dbraw/zinc/94/93/23/367949323.db2.gz XUSOMBKUNZMPRC-OLZOCXBDSA-N 0 0 304.394 2.046 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H]2COc3cccc(C)c3C2)C1=O ZINC000630984173 367950515 /nfs/dbraw/zinc/95/05/15/367950515.db2.gz AKXWUPIIDKKQDW-TZMCWYRMSA-N 0 0 300.358 2.185 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2Cc3ccccc3[C@@H]2OC)C1=O ZINC000630984649 367950586 /nfs/dbraw/zinc/95/05/86/367950586.db2.gz HCPNVECRDZQUHO-KFWWJZLASA-N 0 0 300.358 2.185 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H](COC)c2cccc(OC)c2)C1=O ZINC000630989281 367953142 /nfs/dbraw/zinc/95/31/42/367953142.db2.gz ZTQLAWRKQNJKJE-LSDHHAIUSA-N 0 0 318.373 2.269 10 30 DEEERN C=CCc1cc(C(=O)N2CCC(=O)[C@@H](C)C2)cc(OC)c1OC ZINC000275228461 212210051 /nfs/dbraw/zinc/21/00/51/212210051.db2.gz JBTDXSPHWYUDDC-LBPRGKRZSA-N 0 0 317.385 2.483 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2c1nnnn1Cc1ccc(OC)cc1 ZINC000631373034 368185637 /nfs/dbraw/zinc/18/56/37/368185637.db2.gz SDSIGQFQJHCQJB-GASCZTMLSA-N 0 0 311.389 2.417 10 30 DEEERN CC(=O)c1ccc(C#N)c(N2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000631490278 368252163 /nfs/dbraw/zinc/25/21/63/368252163.db2.gz JRVYRCQGIKMTDE-QWHCGFSZSA-N 0 0 312.291 2.368 10 30 DEEERN C=CCC[C@H](NC(=O)CC1CS(=O)(=O)C1)c1ccccc1 ZINC000632002412 368487993 /nfs/dbraw/zinc/48/79/93/368487993.db2.gz UWMGODUCAOUOFK-HNNXBMFYSA-N 0 0 307.415 2.245 10 30 DEEERN CC(C)N[C@]1(C#N)CCC[C@@H]1CCSCCS(C)(=O)=O ZINC000093581515 193269885 /nfs/dbraw/zinc/26/98/85/193269885.db2.gz PMPPKIWMESPVLJ-KGLIPLIRSA-N 0 0 318.508 2.215 10 30 DEEERN Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@@](C)(N)C#N ZINC000094296724 193357007 /nfs/dbraw/zinc/35/70/07/193357007.db2.gz VRNVUECYAWBSOB-NSHDSACASA-N 0 0 314.139 2.286 10 30 DEEERN Cc1cc(Cl)c(S(=O)(=O)N(C)C[C@@H](C)C#N)cc1N ZINC000094638104 193387225 /nfs/dbraw/zinc/38/72/25/193387225.db2.gz GLTCBPALSGSSBR-QMMMGPOBSA-N 0 0 301.799 2.011 10 30 DEEERN OCC#Cc1ccc(O[C@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000094408393 193367673 /nfs/dbraw/zinc/36/76/73/193367673.db2.gz IUUBWCQLSOLDNN-DLBZAZTESA-N 0 0 304.411 2.464 10 30 DEEERN Cc1csc(CNC(=O)c2cc(C)c(C#CCO)s2)n1 ZINC000094534614 193377487 /nfs/dbraw/zinc/37/74/87/193377487.db2.gz WYFCVYBJBUEFBN-UHFFFAOYSA-N 0 0 306.412 2.095 10 30 DEEERN Cc1cc(C(=O)N(CCC#N)CC(C)C)sc1C#CCO ZINC000094534942 193377614 /nfs/dbraw/zinc/37/76/14/193377614.db2.gz BBKWMWGMPXDXDF-UHFFFAOYSA-N 0 0 304.415 2.412 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)NC(=O)C1CCCC1 ZINC000264974303 204316852 /nfs/dbraw/zinc/31/68/52/204316852.db2.gz HKRVDWQYMWDLCV-JTQLQIEISA-N 0 0 306.328 2.258 10 30 DEEERN Cc1ccn(-c2ccccc2CNC(=O)CSCC#N)n1 ZINC000161403526 197493005 /nfs/dbraw/zinc/49/30/05/197493005.db2.gz RCJDPZTUQTYETE-UHFFFAOYSA-N 0 0 300.387 2.054 10 30 DEEERN CN(C)c1cccc(NC(=O)c2ccc(C#CCO)s2)c1 ZINC000161406223 197492496 /nfs/dbraw/zinc/49/24/96/197492496.db2.gz XOTZHFZJGKPBGF-UHFFFAOYSA-N 0 0 300.383 2.410 10 30 DEEERN C=CCCCN(C)C(=O)NCc1c(CC)c(CC)n[nH]c1=O ZINC000160381687 197405748 /nfs/dbraw/zinc/40/57/48/197405748.db2.gz UPODSNTZLLKNKQ-UHFFFAOYSA-N 0 0 306.410 2.002 10 30 DEEERN N/C(=N\O)c1ccc(Sc2nnc3n2CCCCC3)cc1 ZINC000019983517 182173471 /nfs/dbraw/zinc/17/34/71/182173471.db2.gz JQAPSVYSMVWNAI-UHFFFAOYSA-N 0 0 303.391 2.250 10 30 DEEERN Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2O)c(C)c1 ZINC000020357071 182211041 /nfs/dbraw/zinc/21/10/41/182211041.db2.gz UPBKWCNKRGKOTJ-MHWRWJLKSA-N 0 0 304.371 2.321 10 30 DEEERN Cc1cc(C#N)cc(NC(=O)NCC(=O)NC2CCCCC2)c1 ZINC000456015087 246887545 /nfs/dbraw/zinc/88/75/45/246887545.db2.gz YDORSGWWUAEFDX-UHFFFAOYSA-N 0 0 314.389 2.437 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@@H]2COCC2(C)C)cc1OC ZINC000456522221 247249431 /nfs/dbraw/zinc/24/94/31/247249431.db2.gz QMLYAERJAHZDML-OAHLLOKOSA-N 0 0 305.374 2.415 10 30 DEEERN C=CCC[C@H](NC(=O)[C@H](OC)c1ccc(O)cc1)C(=O)OCC ZINC000456600060 247301672 /nfs/dbraw/zinc/30/16/72/247301672.db2.gz DFGQSDNBQKGDGE-LSDHHAIUSA-N 0 0 321.373 2.094 10 30 DEEERN C=CCC[C@@H](NC(=O)[C@@H](C)c1ncccc1F)C(=O)OCC ZINC000456599789 247301682 /nfs/dbraw/zinc/30/16/82/247301682.db2.gz CRCPBKWNJWWILR-WCQYABFASA-N 0 0 308.353 2.338 10 30 DEEERN C=CCC[C@H](NC(=O)c1cccc(NC(C)=O)c1)C(=O)OCC ZINC000456623588 247317732 /nfs/dbraw/zinc/31/77/32/247317732.db2.gz GZLWUFQEZZDESD-HNNXBMFYSA-N 0 0 318.373 2.273 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCCS(=O)(=O)Cc1ccccc1 ZINC000274336160 211523892 /nfs/dbraw/zinc/52/38/92/211523892.db2.gz KRLFXMKKQXTYKG-CQSZACIVSA-N 0 0 309.431 2.320 10 30 DEEERN C#CCNC(=O)[C@@H](C)Nc1c(F)cc(F)cc1Br ZINC000036963863 182855449 /nfs/dbraw/zinc/85/54/49/182855449.db2.gz QZIGRUWZSKLADB-SSDOTTSWSA-N 0 0 317.133 2.277 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000458702625 248445922 /nfs/dbraw/zinc/44/59/22/248445922.db2.gz YYLUSTFOMMUQCY-UKRRQHHQSA-N 0 0 304.390 2.445 10 30 DEEERN CC(C)(C#N)N(C1CC1)S(=O)(=O)c1cnc(Cl)s1 ZINC000040691288 183118442 /nfs/dbraw/zinc/11/84/42/183118442.db2.gz QNDKKLALXLEUCY-UHFFFAOYSA-N 0 0 305.812 2.252 10 30 DEEERN CCN(CC)C(=O)N1CCN([C@H](C#N)c2ccccc2F)CC1 ZINC000041257841 183181512 /nfs/dbraw/zinc/18/15/12/183181512.db2.gz JTJBTMARGOIQLW-MRXNPFEDSA-N 0 0 318.396 2.470 10 30 DEEERN CCN(CC)C(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000041257432 183181569 /nfs/dbraw/zinc/18/15/69/183181569.db2.gz JCJHKGTZWIMIRS-CYBMUJFWSA-N 0 0 306.435 2.392 10 30 DEEERN C=CCOC(=O)c1sc(NC(=O)c2cccnc2)nc1C ZINC000041538204 183200541 /nfs/dbraw/zinc/20/05/41/183200541.db2.gz XZEVQZOJJVSNPI-UHFFFAOYSA-N 0 0 303.343 2.442 10 30 DEEERN CN(Cc1csc(C#CCO)c1)C(=O)c1ccccc1O ZINC000042363863 183259093 /nfs/dbraw/zinc/25/90/93/183259093.db2.gz LNWABSHQZSAGDG-UHFFFAOYSA-N 0 0 301.367 2.070 10 30 DEEERN NC(=O)c1ccc(OCc2sccc2C#CCCO)cc1 ZINC000043682826 183379915 /nfs/dbraw/zinc/37/99/15/183379915.db2.gz BXNMCGQUZYGBPI-UHFFFAOYSA-N 0 0 301.367 2.160 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273887588 211145448 /nfs/dbraw/zinc/14/54/48/211145448.db2.gz UQGXQBSNMCICRR-JTQLQIEISA-N 0 0 310.325 2.065 10 30 DEEERN N#C[C@H]1CC(=O)N(c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000159524436 197360400 /nfs/dbraw/zinc/36/04/00/197360400.db2.gz APAFWPBZYXUZJE-SSDOTTSWSA-N 0 0 310.107 2.234 10 30 DEEERN Cc1ncsc1C(=O)NCc1ccc(C#CCCO)cc1 ZINC000049589158 183744458 /nfs/dbraw/zinc/74/44/58/183744458.db2.gz PWFFYUQECMGVRR-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN CC1(C)COCCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000049997495 183766983 /nfs/dbraw/zinc/76/69/83/183766983.db2.gz VZIKHVHPNJTVKP-UHFFFAOYSA-N 0 0 314.794 2.011 10 30 DEEERN N#Cc1c(F)cccc1NC(=O)c1nc(NN)ccc1Cl ZINC000051090415 183813893 /nfs/dbraw/zinc/81/38/93/183813893.db2.gz CZNYXYRWTOQBJY-UHFFFAOYSA-N 0 0 305.700 2.284 10 30 DEEERN C#CCN[C@H](C(=O)OCC)c1ccc(OC(F)(F)F)cc1 ZINC000051965072 183844187 /nfs/dbraw/zinc/84/41/87/183844187.db2.gz NMHNIYSJDGJMHL-LBPRGKRZSA-N 0 0 301.264 2.412 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000273480011 210807323 /nfs/dbraw/zinc/80/73/23/210807323.db2.gz LUWPTBOZTKOLNY-ZDUSSCGKSA-N 0 0 302.399 2.406 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCOc2c(CC)cccc21 ZINC000273253869 210631399 /nfs/dbraw/zinc/63/13/99/210631399.db2.gz HNUWOKFDTYGDSD-UKRRQHHQSA-N 0 0 304.390 2.309 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H]1CCOc2c(CC)cccc21 ZINC000273253871 210631269 /nfs/dbraw/zinc/63/12/69/210631269.db2.gz HNUWOKFDTYGDSD-ZFWWWQNUSA-N 0 0 304.390 2.309 10 30 DEEERN C[C@@H](NS(=O)(=O)c1ccccc1C#CCO)c1ccsc1 ZINC000061372062 184169741 /nfs/dbraw/zinc/16/97/41/184169741.db2.gz XVQMQAFOIACKAT-GFCCVEGCSA-N 0 0 321.423 2.131 10 30 DEEERN CCCn1c(SCCCC[C@@](C)(C#N)NCC)n[nH]c1=O ZINC000061607393 184178111 /nfs/dbraw/zinc/17/81/11/184178111.db2.gz TYDADDNPEPQMTA-AWEZNQCLSA-N 0 0 311.455 2.136 10 30 DEEERN CN(Cc1cccc(C#N)c1)C(=O)c1nc(N)ccc1Cl ZINC000061949132 184198452 /nfs/dbraw/zinc/19/84/52/184198452.db2.gz TXHSIKUXHDLNND-UHFFFAOYSA-N 0 0 300.749 2.461 10 30 DEEERN Cc1ccc(S(=O)(=O)N(C)c2ccc(C#N)cc2)cc1N ZINC000061979683 184199974 /nfs/dbraw/zinc/19/99/74/184199974.db2.gz RMJTZZRWUVPVLD-UHFFFAOYSA-N 0 0 301.371 2.274 10 30 DEEERN Cc1ccc(CNC(=O)c2ccc(C#CCCO)s2)cn1 ZINC000062055773 184203434 /nfs/dbraw/zinc/20/34/34/184203434.db2.gz DSMYSBOKQFRJOC-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN N#Cc1ccccc1/C=C/C(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000064316394 184294494 /nfs/dbraw/zinc/29/44/94/184294494.db2.gz ZXCHPYGEMUVPBK-FVNWOWOISA-N 0 0 317.348 2.015 10 30 DEEERN COc1cc(CNC(=O)c2ccc(C#N)cc2)cc(OC)c1O ZINC000063586157 184285443 /nfs/dbraw/zinc/28/54/43/184285443.db2.gz HBNYABWZWUFOHM-UHFFFAOYSA-N 0 0 312.325 2.211 10 30 DEEERN C=CCOc1cccc(NC(=O)NCCCN2CCCC2=O)c1 ZINC000065615600 184374182 /nfs/dbraw/zinc/37/41/82/184374182.db2.gz BGQYQZLVPVCLSH-UHFFFAOYSA-N 0 0 317.389 2.385 10 30 DEEERN CC(C)[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000114582448 194672304 /nfs/dbraw/zinc/67/23/04/194672304.db2.gz WLXOVZQTNIKVGC-NVXWUHKLSA-N 0 0 314.433 2.450 10 30 DEEERN COc1ccccc1[C@@H](CO)NC(=O)c1sccc1C#N ZINC000537777214 285014994 /nfs/dbraw/zinc/01/49/94/285014994.db2.gz APMLIVCRRICLLO-GFCCVEGCSA-N 0 0 302.355 2.092 10 30 DEEERN C#CCSCCNC(=O)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000120078811 195091993 /nfs/dbraw/zinc/09/19/93/195091993.db2.gz FLMUTZOEURGVJB-GXTWGEPZSA-N 0 0 304.415 2.217 10 30 DEEERN C=C(C)[C@@H](CC(=O)Nc1ccc2c(c1)OCC(=O)N2)OCC ZINC000270051614 208107050 /nfs/dbraw/zinc/10/70/50/208107050.db2.gz RKVUOVOOVIMVGO-CYBMUJFWSA-N 0 0 304.346 2.327 10 30 DEEERN CC1(C)CN(C(=O)c2ccc(C#CCCO)cc2)CCS1 ZINC000159024694 197319522 /nfs/dbraw/zinc/31/95/22/197319522.db2.gz CVPJYTVSPBYVOX-UHFFFAOYSA-N 0 0 303.427 2.388 10 30 DEEERN C#CCn1ncc(N[C@H](C)C2CCC2)c(Br)c1=O ZINC000158883151 197308355 /nfs/dbraw/zinc/30/83/55/197308355.db2.gz DMAVMRBOSIURQX-SECBINFHSA-N 0 0 310.195 2.240 10 30 DEEERN C=CCNC(=O)N1C[C@@H](C(=O)OC)C[C@@H](c2ccccc2)C1 ZINC000158873321 197307006 /nfs/dbraw/zinc/30/70/06/197307006.db2.gz LPIWOQRYBQGMOB-CABCVRRESA-N 0 0 302.374 2.161 10 30 DEEERN COc1cc(S(=O)(=O)N(CCC#N)CC2CC2)ccc1F ZINC000190621124 533097289 /nfs/dbraw/zinc/09/72/89/533097289.db2.gz FLTIHWJXJFERSF-UHFFFAOYSA-N 0 0 312.366 2.149 10 30 DEEERN CC[C@@H](CSC)N(C)S(=O)(=O)Cc1ccccc1C#N ZINC000157969392 197231377 /nfs/dbraw/zinc/23/13/77/197231377.db2.gz CBIQURFDQHYHLU-AWEZNQCLSA-N 0 0 312.460 2.461 10 30 DEEERN C=CCN(CCO)c1ccc([N+](=O)[O-])cc1Br ZINC000157708635 197210246 /nfs/dbraw/zinc/21/02/46/197210246.db2.gz RYFNLFUPGWXGHM-UHFFFAOYSA-N 0 0 301.140 2.342 10 30 DEEERN C#CCn1ncc(NCCC(F)(F)F)c(Br)c1=O ZINC000157393878 197184129 /nfs/dbraw/zinc/18/41/29/197184129.db2.gz KCCUMQNEXIEQAW-UHFFFAOYSA-N 0 0 324.100 2.003 10 30 DEEERN CS(=O)(=O)c1csc(C(=O)Nc2ccc(CC#N)cc2)c1 ZINC000157324829 197179897 /nfs/dbraw/zinc/17/98/97/197179897.db2.gz QHWVMHULWHEORG-UHFFFAOYSA-N 0 0 320.395 2.470 10 30 DEEERN N#CCN(CCS(=O)(=O)c1cccc(C#N)c1)C1CCCC1 ZINC000156773794 197139001 /nfs/dbraw/zinc/13/90/01/197139001.db2.gz PSTHRWXERSQLPM-UHFFFAOYSA-N 0 0 317.414 2.100 10 30 DEEERN COc1cnccc1[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000189152932 533149735 /nfs/dbraw/zinc/14/97/35/533149735.db2.gz JIYJYSGPGNAWLZ-NSHDSACASA-N 0 0 317.370 2.001 10 30 DEEERN N#Cc1ncn(-c2ccc([N+](=O)[O-])cc2Br)c1C#N ZINC000156297234 197102892 /nfs/dbraw/zinc/10/28/92/197102892.db2.gz ARXUHGSBXXGUAV-UHFFFAOYSA-N 0 0 318.090 2.286 10 30 DEEERN N#Cc1cccc(CNC(=O)N2CCC(c3cc[nH]n3)CC2)c1 ZINC000156173071 197091599 /nfs/dbraw/zinc/09/15/99/197091599.db2.gz SKAQVNAZUIYTGI-UHFFFAOYSA-N 0 0 309.373 2.371 10 30 DEEERN CC(=O)NC1CCC(N(C)C(=O)Cc2cccc(C#N)c2)CC1 ZINC000543212707 285274250 /nfs/dbraw/zinc/27/42/50/285274250.db2.gz HPGGVBWOBCVTAW-UHFFFAOYSA-N 0 0 313.401 2.006 10 30 DEEERN CSC[C@@H]1CCCN1C(=O)NCCOc1ccc(C#N)cc1 ZINC000120804451 195240833 /nfs/dbraw/zinc/24/08/33/195240833.db2.gz PPMHMIYVSAJKFB-AWEZNQCLSA-N 0 0 319.430 2.474 10 30 DEEERN C#CCCCCNC(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000152194576 196785957 /nfs/dbraw/zinc/78/59/57/196785957.db2.gz YCRLQOLWSYZFEL-ZDUSSCGKSA-N 0 0 303.410 2.339 10 30 DEEERN C=CCO[C@H]1CCN(Cc2nccs2)[C@@H]1Cc1cnn(C)c1 ZINC000248107424 257108986 /nfs/dbraw/zinc/10/89/86/257108986.db2.gz GJHSFXMOVGGFLW-CABCVRRESA-N 0 0 318.446 2.265 10 30 DEEERN C=CCO[C@@H]1CCN(Cc2nccs2)[C@@H]1Cc1cnn(C)c1 ZINC000248107429 257109798 /nfs/dbraw/zinc/10/97/98/257109798.db2.gz GJHSFXMOVGGFLW-HUUCEWRRSA-N 0 0 318.446 2.265 10 30 DEEERN CC(C)(C)CCNS(=O)(=O)c1cccc(C#CCCO)c1 ZINC000124344747 195630588 /nfs/dbraw/zinc/63/05/88/195630588.db2.gz ZNWKEEOFKFZVAP-UHFFFAOYSA-N 0 0 309.431 2.135 10 30 DEEERN CC(C)(C)CCNS(=O)(=O)c1ccc(C#CCCO)cc1 ZINC000124344278 195630788 /nfs/dbraw/zinc/63/07/88/195630788.db2.gz RQEMDBSCJCWADE-UHFFFAOYSA-N 0 0 309.431 2.135 10 30 DEEERN N#Cc1ccc(Br)cc1NCCn1cc(N)cn1 ZINC000125099066 195712394 /nfs/dbraw/zinc/71/23/94/195712394.db2.gz ZOIWVVJDLXNDTJ-UHFFFAOYSA-N 0 0 306.167 2.212 10 30 DEEERN C[C@H](C(=O)NCc1c(Cl)cccc1Cl)n1cnc(C#N)n1 ZINC000545966488 285465093 /nfs/dbraw/zinc/46/50/93/285465093.db2.gz YTSQVWDABCDOCW-MRVPVSSYSA-N 0 0 324.171 2.334 10 30 DEEERN N#Cc1cnccc1N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000546653653 285509585 /nfs/dbraw/zinc/50/95/85/285509585.db2.gz WPQUJMDQROVFGW-UHFFFAOYSA-N 0 0 313.405 2.118 10 30 DEEERN Cc1cc(CCNC(=O)[C@H](C)n2cnc(C#N)n2)ccc1Cl ZINC000360616116 133192900 /nfs/dbraw/zinc/19/29/00/133192900.db2.gz DRKCHIBNCGLRTI-NSHDSACASA-N 0 0 317.780 2.032 10 30 DEEERN CCc1nn(C)cc1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000362654650 133243514 /nfs/dbraw/zinc/24/35/14/133243514.db2.gz ZOHGVBQLFJYJNO-QGZVFWFLSA-N 0 0 324.384 2.068 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCN(c2cncc(F)c2)CC1 ZINC000548390494 285730118 /nfs/dbraw/zinc/73/01/18/285730118.db2.gz HAFTYEMQCRNGED-UHFFFAOYSA-N 0 0 316.361 2.116 10 30 DEEERN CC(C)N1CC[C@H](NC(=O)[C@H]2CCN2Cc2ccccc2)C1=O ZINC000329874307 404479839 /nfs/dbraw/zinc/47/98/39/404479839.db2.gz CSXPKQRYVNVPTI-JKSUJKDBSA-N 0 0 315.417 2.227 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@]1(C)OCCc2sccc21 ZINC000291699055 404483666 /nfs/dbraw/zinc/48/36/66/404483666.db2.gz YDIWSDNFTOYSIW-KRWDZBQOSA-N 0 0 301.411 2.315 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2ccc(Cl)cn2)cc1 ZINC000173902287 144852573 /nfs/dbraw/zinc/85/25/73/144852573.db2.gz WLDOWLDSTRPMSY-UHFFFAOYSA-N 0 0 301.733 2.415 10 30 DEEERN C[C@H](NC(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1cccnc1 ZINC000184414064 144943933 /nfs/dbraw/zinc/94/39/33/144943933.db2.gz LMAORJIBQRGKNC-ZDUSSCGKSA-N 0 0 322.368 2.487 10 30 DEEERN N#Cc1cc(Cl)ccc1CN1CCO[C@H](Cn2cccn2)C1 ZINC000186986406 144992526 /nfs/dbraw/zinc/99/25/26/144992526.db2.gz BVDZFXXTRQGMIY-INIZCTEOSA-N 0 0 316.792 2.309 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(C#N)c(F)c1 ZINC000192217632 145071934 /nfs/dbraw/zinc/07/19/34/145071934.db2.gz WEAUVSKAINTZST-YCPHGPKFSA-N 0 0 302.349 2.471 10 30 DEEERN N#Cc1c(Cl)nsc1N1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000192755666 145078336 /nfs/dbraw/zinc/07/83/36/145078336.db2.gz BJDJVYBDZCGQHU-MRVPVSSYSA-N 0 0 320.809 2.424 10 30 DEEERN C[C@@H](COc1ccc(F)cc1F)NC(=O)c1ccnc(C#N)c1 ZINC000192881214 145079956 /nfs/dbraw/zinc/07/99/56/145079956.db2.gz GXZIJWGCPOYIHQ-JTQLQIEISA-N 0 0 317.295 2.429 10 30 DEEERN N#Cc1cc(C(=O)NCc2cccc3c2OCCCO3)ccn1 ZINC000193605419 145088196 /nfs/dbraw/zinc/08/81/96/145088196.db2.gz IOHNOELDWPSWGM-UHFFFAOYSA-N 0 0 309.325 2.045 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000246733886 145112873 /nfs/dbraw/zinc/11/28/73/145112873.db2.gz OUGAQEWCLQKFFR-CWRNSKLLSA-N 0 0 314.385 2.353 10 30 DEEERN N#Cc1ccc(NC(=O)CN2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000248028841 145146637 /nfs/dbraw/zinc/14/66/37/145146637.db2.gz PSLLQUUJPAZKCS-YJBOKZPZSA-N 0 0 313.401 2.124 10 30 DEEERN C[C@H](C(=O)Nc1cccc(-c2nccs2)c1)n1cnc(C#N)n1 ZINC000356979021 147015332 /nfs/dbraw/zinc/01/53/32/147015332.db2.gz ZWCCGSDRFJNGMA-SNVBAGLBSA-N 0 0 324.369 2.473 10 30 DEEERN Cc1ncn(Cc2ccc(C#N)cc2OC(F)F)c(=O)c1C ZINC000358515496 147148791 /nfs/dbraw/zinc/14/87/91/147148791.db2.gz XPPKYUAAARQLRM-UHFFFAOYSA-N 0 0 305.284 2.382 10 30 DEEERN CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC[C@H](C)C1 ZINC000358710245 147186828 /nfs/dbraw/zinc/18/68/28/147186828.db2.gz APFCUVFGGVZAJV-CYBMUJFWSA-N 0 0 311.389 2.309 10 30 DEEERN N#Cc1c(F)cccc1C(=O)N[C@@H]1CCN(c2cccnc2)C1 ZINC000372408137 148203719 /nfs/dbraw/zinc/20/37/19/148203719.db2.gz GENZSMSISCXFGN-GFCCVEGCSA-N 0 0 310.332 2.101 10 30 DEEERN Cc1oc(NC(=O)[C@H](C)N2CCO[C@@H](C3CC3)C2)c(C#N)c1C ZINC000375334217 148360175 /nfs/dbraw/zinc/36/01/75/148360175.db2.gz RXKNHCCGNQSXKW-XHDPSFHLSA-N 0 0 317.389 2.206 10 30 DEEERN O=[N+]([O-])c1ccc(/C=N/NC(=S)N[C@@H]2C[C@@H]3C=C[C@H]2C3)cc1 ZINC000000137329 401688354 /nfs/dbraw/zinc/68/83/54/401688354.db2.gz NGSNIKMIAFFSKP-XFNFIDHJSA-N 0 0 316.386 2.357 10 30 DEEERN CC(C)CCN(CCC#N)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000072692333 401711568 /nfs/dbraw/zinc/71/15/68/401711568.db2.gz DPAOIPWEQXJARA-IRXDYDNUSA-N 0 0 321.465 2.418 10 30 DEEERN C=CCCCN(C)C(=O)NCc1cccnc1N1CCOCC1 ZINC000076946074 401800681 /nfs/dbraw/zinc/80/06/81/401800681.db2.gz ZCAQWBZHONDONF-UHFFFAOYSA-N 0 0 318.421 2.026 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N[C@@H](C)C(C)C ZINC000129266783 401801516 /nfs/dbraw/zinc/80/15/16/401801516.db2.gz PUKQUSROMCXDHT-LBPRGKRZSA-N 0 0 311.389 2.286 10 30 DEEERN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC1(C)C ZINC000077353939 401811669 /nfs/dbraw/zinc/81/16/69/401811669.db2.gz NNEJNDJYTIFHLN-UHFFFAOYSA-N 0 0 301.390 2.197 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1COc2ccccc21 ZINC000114738482 401809039 /nfs/dbraw/zinc/80/90/39/401809039.db2.gz LPZOFSWXKRDMCW-AWEZNQCLSA-N 0 0 314.366 2.279 10 30 DEEERN C[C@@H]1C[C@@H]1C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000128293361 401770462 /nfs/dbraw/zinc/77/04/62/401770462.db2.gz VBJLHYZOGAITQB-DDTOSNHZSA-N 0 0 315.398 2.054 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1c(F)cc(F)cc1F ZINC000076312434 401790260 /nfs/dbraw/zinc/79/02/60/401790260.db2.gz KDMWGVNMUPBOIV-UHFFFAOYSA-N 0 0 300.280 2.467 10 30 DEEERN COc1ccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c(O)c1 ZINC000130397604 401830465 /nfs/dbraw/zinc/83/04/65/401830465.db2.gz PKKQKIPEYBKGOS-UHFFFAOYSA-N 0 0 324.336 2.176 10 30 DEEERN CNC(=O)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000133608601 401892274 /nfs/dbraw/zinc/89/22/74/401892274.db2.gz JKXIESHMCQJQGL-UHFFFAOYSA-N 0 0 309.325 2.425 10 30 DEEERN N#Cc1ccccc1OCC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135712939 401951158 /nfs/dbraw/zinc/95/11/58/401951158.db2.gz CYKLFSVLPZSQAS-MRXNPFEDSA-N 0 0 323.352 2.012 10 30 DEEERN N#CCOc1cccc(CC(=O)N[C@@H]2COc3ccccc32)c1 ZINC000089760019 401961046 /nfs/dbraw/zinc/96/10/46/401961046.db2.gz LUPDRXMLOPWZTI-MRXNPFEDSA-N 0 0 308.337 2.381 10 30 DEEERN C#Cc1cccc(NC(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)c1 ZINC000136507901 401968435 /nfs/dbraw/zinc/96/84/35/401968435.db2.gz XNLDMUIWTRTYEO-ZBFHGGJFSA-N 0 0 311.385 2.190 10 30 DEEERN CCOC(=O)CC[C@@H](C)NC(=O)NCc1ccc(C#N)cc1 ZINC000089889557 401970917 /nfs/dbraw/zinc/97/09/17/401970917.db2.gz DGRCCAYWAFBZBO-GFCCVEGCSA-N 0 0 303.362 2.089 10 30 DEEERN COCCCOC1CN(C(=O)Nc2cc(C#N)ccc2C)C1 ZINC000136850498 401975049 /nfs/dbraw/zinc/97/50/49/401975049.db2.gz UDXMDHPYZZGEBA-UHFFFAOYSA-N 0 0 303.362 2.136 10 30 DEEERN O=C(C#Cc1ccc2c(c1)OCO2)N[C@H]1COc2ccccc21 ZINC000135431457 401938866 /nfs/dbraw/zinc/93/88/66/401938866.db2.gz RTGABGLWOBWOCA-AWEZNQCLSA-N 0 0 307.305 2.017 10 30 DEEERN C#CCOCCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000121444871 402035976 /nfs/dbraw/zinc/03/59/76/402035976.db2.gz MQADMIKKOKPLFJ-HNNXBMFYSA-N 0 0 307.777 2.280 10 30 DEEERN CC(C)C[C@H](CNC(=O)c1sccc1C#N)N1CCOCC1 ZINC000052034402 402039519 /nfs/dbraw/zinc/03/95/19/402039519.db2.gz QTEDSSRWPGEHQP-CQSZACIVSA-N 0 0 321.446 2.096 10 30 DEEERN C#CCN(C(=O)N[C@H](C)c1nnc2n1CCCC2)C1CCCC1 ZINC000121488688 402039577 /nfs/dbraw/zinc/03/95/77/402039577.db2.gz HNPIFXAQDUMDBS-CYBMUJFWSA-N 0 0 315.421 2.263 10 30 DEEERN C=CCCOCCNC(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000122559630 402084350 /nfs/dbraw/zinc/08/43/50/402084350.db2.gz NGEGZGHLTSCLIZ-HNNXBMFYSA-N 0 0 306.410 2.131 10 30 DEEERN C#CCCCCNC(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000152255908 402085155 /nfs/dbraw/zinc/08/51/55/402085155.db2.gz BDLSBHVTAHYXKT-HNNXBMFYSA-N 0 0 315.417 2.377 10 30 DEEERN C=C(C)CNC(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C ZINC000152999305 402121499 /nfs/dbraw/zinc/12/14/99/402121499.db2.gz QRLULNZJJBWWIN-HNNXBMFYSA-N 0 0 304.390 2.142 10 30 DEEERN N#Cc1ccc(OCCNc2cc(-n3cnnn3)ccc2F)cc1 ZINC000066469456 402134425 /nfs/dbraw/zinc/13/44/25/402134425.db2.gz IVTBBZGKKBRHMB-UHFFFAOYSA-N 0 0 324.319 2.164 10 30 DEEERN C#CCOCCC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000153428787 402144589 /nfs/dbraw/zinc/14/45/89/402144589.db2.gz QNHUYXRGDDRMFC-CJNGLKHVSA-N 0 0 305.349 2.154 10 30 DEEERN C=C(C)COc1cccc(NC(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000153485829 402147992 /nfs/dbraw/zinc/14/79/92/402147992.db2.gz KQCFUMQENSBSKH-AWEZNQCLSA-N 0 0 317.389 2.384 10 30 DEEERN Cc1noc(CCNC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000102035391 402161790 /nfs/dbraw/zinc/16/17/90/402161790.db2.gz LMSVVZCSSOBAOZ-UHFFFAOYSA-N 0 0 305.725 2.267 10 30 DEEERN C=CCc1cc(C(=O)N(C)[C@H]2CCOC2)cc(OC)c1OC ZINC000106839684 402217298 /nfs/dbraw/zinc/21/72/98/402217298.db2.gz ZXKDZSWOJVPZGB-AWEZNQCLSA-N 0 0 305.374 2.293 10 30 DEEERN COc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](C)CC[C@H]1C ZINC000185805993 286192143 /nfs/dbraw/zinc/19/21/43/286192143.db2.gz IKGYPZAGWZHPEX-VXGBXAGGSA-N 0 0 308.403 2.376 10 30 DEEERN Cc1c(C(=O)N(CC#N)CC#N)cnn1-c1ccccc1Cl ZINC000069699497 402239032 /nfs/dbraw/zinc/23/90/32/402239032.db2.gz RGHIOBUGTSQECI-UHFFFAOYSA-N 0 0 313.748 2.323 10 30 DEEERN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1Nc1cnc(C#N)cn1 ZINC000125653622 402243648 /nfs/dbraw/zinc/24/36/48/402243648.db2.gz YMPSHMKXFCPMQU-AAEUAGOBSA-N 0 0 317.393 2.454 10 30 DEEERN CC(=O)N[C@H](CC(=O)N[C@@H](C#N)C1CC1)c1ccc(Cl)cc1 ZINC000108833604 402262490 /nfs/dbraw/zinc/26/24/90/402262490.db2.gz SMNJTXXSDPAQLU-CABCVRRESA-N 0 0 319.792 2.326 10 30 DEEERN Cc1c(C(=O)N[C@H](C#N)C2CC2)nnn1-c1cccc(Cl)c1 ZINC000108836637 402262537 /nfs/dbraw/zinc/26/25/37/402262537.db2.gz NBZAVBKGLPJJEL-CYBMUJFWSA-N 0 0 315.764 2.261 10 30 DEEERN N#C[C@H](NC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CC1 ZINC000108836657 402262675 /nfs/dbraw/zinc/26/26/75/402262675.db2.gz CRLWIOGTCWLWEC-KGLIPLIRSA-N 0 0 317.776 2.111 10 30 DEEERN C#CCCCCNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000155873505 402269817 /nfs/dbraw/zinc/26/98/17/402269817.db2.gz BLDTUBWNDQIHPH-OAHLLOKOSA-N 0 0 318.442 2.201 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc2ccc(OC)cc2nc1C ZINC000185892891 402386950 /nfs/dbraw/zinc/38/69/50/402386950.db2.gz GROVDYCPFUBAJY-CYBMUJFWSA-N 0 0 300.358 2.219 10 30 DEEERN COc1cccc([C@H](C)N2CCN(c3cnc(C#N)cn3)CC2)c1 ZINC000185355495 402346376 /nfs/dbraw/zinc/34/63/76/402346376.db2.gz QSFBLKJAKMZZOM-AWEZNQCLSA-N 0 0 323.400 2.240 10 30 DEEERN CN(Cc1ccccc1N)S(=O)(=O)c1ccc(C#N)s1 ZINC000230321584 402350311 /nfs/dbraw/zinc/35/03/11/402350311.db2.gz SWIRVIQKNVXJDV-UHFFFAOYSA-N 0 0 307.400 2.023 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 ZINC000185672023 402368538 /nfs/dbraw/zinc/36/85/38/402368538.db2.gz NCEUMJRNYPJCHM-GFCCVEGCSA-N 0 0 322.430 2.086 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1 ZINC000185702179 402370595 /nfs/dbraw/zinc/37/05/95/402370595.db2.gz MNLHIGLRKCHURF-GDBMZVCRSA-N 0 0 319.401 2.029 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnn(Cc2ccccc2)c1CC ZINC000185790869 402377515 /nfs/dbraw/zinc/37/75/15/402377515.db2.gz WTHIOOJVKKHMJW-HNNXBMFYSA-N 0 0 313.401 2.161 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000185891579 402386341 /nfs/dbraw/zinc/38/63/41/402386341.db2.gz WZVJNHIPSQYYHX-MJBXVCDLSA-N 0 0 301.452 2.403 10 30 DEEERN COc1ccc(C(C)(C)C(=O)N[C@@H](C#N)C2CC2)cc1OC ZINC000161684215 402395944 /nfs/dbraw/zinc/39/59/44/402395944.db2.gz TWLQLUUXFKZUMF-ZDUSSCGKSA-N 0 0 302.374 2.400 10 30 DEEERN N#Cc1csc(C(=O)NCc2cccnc2-n2ccnc2)c1 ZINC000177411654 402399993 /nfs/dbraw/zinc/39/99/93/402399993.db2.gz HDSZFJMOCVTXOR-UHFFFAOYSA-N 0 0 309.354 2.130 10 30 DEEERN CCCC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)OC ZINC000186501814 402437004 /nfs/dbraw/zinc/43/70/04/402437004.db2.gz XAQKRPYNBRNQCF-OCCSQVGLSA-N 0 0 318.373 2.174 10 30 DEEERN N#Cc1ccc(CCC(=O)N2CCC[C@H]2Cn2ccnc2)cc1 ZINC000177800408 402437396 /nfs/dbraw/zinc/43/73/96/402437396.db2.gz ATBXDNUZKAIISX-KRWDZBQOSA-N 0 0 308.385 2.379 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000185946201 402391778 /nfs/dbraw/zinc/39/17/78/402391778.db2.gz CEACKUBYQBBXBS-AWEZNQCLSA-N 0 0 313.357 2.281 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cn1 ZINC000170654023 402511115 /nfs/dbraw/zinc/51/11/15/402511115.db2.gz YIFOHIPHOOSLLG-INIZCTEOSA-N 0 0 313.382 2.309 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CC[S@@](=O)C(CC)(CC)C1 ZINC000186735092 402460746 /nfs/dbraw/zinc/46/07/46/402460746.db2.gz QLIBKEZSJVUPIW-RNODOKPDSA-N 0 0 301.452 2.117 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000245709585 402481738 /nfs/dbraw/zinc/48/17/38/402481738.db2.gz SMNWKNTWMMGLAF-UPJWGTAASA-N 0 0 302.374 2.398 10 30 DEEERN Cc1nnc([C@@H]2CN(Cc3ccc(Cl)cc3C#N)CCO2)[nH]1 ZINC000187089663 402482722 /nfs/dbraw/zinc/48/27/22/402482722.db2.gz BCQCICJKZCUVEQ-AWEZNQCLSA-N 0 0 317.780 2.212 10 30 DEEERN N#CCCCOc1cccc(CN2CCO[C@]3(CCOC3)C2)c1 ZINC000187532884 402503732 /nfs/dbraw/zinc/50/37/32/402503732.db2.gz QUTZAJQHTBZDGS-GOSISDBHSA-N 0 0 316.401 2.360 10 30 DEEERN COC(=O)[C@@H](NCCCc1ccccn1)c1cccc(C#N)c1 ZINC000178798565 402541157 /nfs/dbraw/zinc/54/11/57/402541157.db2.gz DBKYBUKPSDWMRJ-KRWDZBQOSA-N 0 0 309.369 2.390 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000178915049 402554505 /nfs/dbraw/zinc/55/45/05/402554505.db2.gz PCURLETVVMGSRU-CABCVRRESA-N 0 0 320.414 2.056 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171235290 402569455 /nfs/dbraw/zinc/56/94/55/402569455.db2.gz YEBJNQYHHVOGBD-TZMCWYRMSA-N 0 0 307.394 2.140 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1cccnc1N1CCOCC1 ZINC000178609076 402517183 /nfs/dbraw/zinc/51/71/83/402517183.db2.gz IODVOZOVAVSQEU-UHFFFAOYSA-N 0 0 322.368 2.351 10 30 DEEERN C[C@@H](C(=O)N[C@H](C#N)c1ccccc1Cl)N1CCSCC1 ZINC000179172129 402577999 /nfs/dbraw/zinc/57/79/99/402577999.db2.gz UXYPKGKPACWEKY-SMDDNHRTSA-N 0 0 323.849 2.458 10 30 DEEERN CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000180833526 402627479 /nfs/dbraw/zinc/62/74/79/402627479.db2.gz SWIJJSCBSBTGLP-ZDUSSCGKSA-N 0 0 319.405 2.117 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCCOC1 ZINC000171680176 402608792 /nfs/dbraw/zinc/60/87/92/402608792.db2.gz NRLUSBCODXYSHP-GDBMZVCRSA-N 0 0 302.374 2.257 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CC(=O)Nc2c(C)ccnc21 ZINC000180864943 402628243 /nfs/dbraw/zinc/62/82/43/402628243.db2.gz PXZFFHJFJALZBJ-UHFFFAOYSA-N 0 0 306.325 2.169 10 30 DEEERN C=CCN(CC=C)C(=O)CSCc1nsc(N(C)C)n1 ZINC000180748878 402625091 /nfs/dbraw/zinc/62/50/91/402625091.db2.gz WVILHJLDNDXWKB-UHFFFAOYSA-N 0 0 312.464 2.038 10 30 DEEERN C=CCOc1ccccc1C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000172431277 402655714 /nfs/dbraw/zinc/65/57/14/402655714.db2.gz BOCYFZYGHQQUOD-STQMWFEESA-N 0 0 302.374 2.025 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc(OC)c(N2CCNC2=O)c1 ZINC000173844611 402715399 /nfs/dbraw/zinc/71/53/99/402715399.db2.gz UREFXANOHRNTQB-UHFFFAOYSA-N 0 0 317.389 2.263 10 30 DEEERN CC(=NNS(=O)(=O)c1ccc(C)cc1)c1cccc(N)c1 ZINC000254626275 402671092 /nfs/dbraw/zinc/67/10/92/402671092.db2.gz CFNCMZNTZJVDFF-UHFFFAOYSA-N 0 0 303.387 2.280 10 30 DEEERN C=CCOCCCC(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000173030536 402683304 /nfs/dbraw/zinc/68/33/04/402683304.db2.gz GGQZZRJZMXNSPC-INIZCTEOSA-N 0 0 314.389 2.302 10 30 DEEERN N#CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000173334212 402692703 /nfs/dbraw/zinc/69/27/03/402692703.db2.gz UKYQXDHQDDTPDB-LSDHHAIUSA-N 0 0 312.369 2.323 10 30 DEEERN COc1ccc(Br)cc1CC(=O)N[C@H](C)CC#N ZINC000173329506 402692834 /nfs/dbraw/zinc/69/28/34/402692834.db2.gz YEXXHZPNDDLDJV-SECBINFHSA-N 0 0 311.179 2.419 10 30 DEEERN CC(C)(C)n1cc(C#N)cc1NC(=O)NCC1(C)OCCCO1 ZINC000192268157 402720436 /nfs/dbraw/zinc/72/04/36/402720436.db2.gz YYMFXVOKPKNCPJ-UHFFFAOYSA-N 0 0 320.393 2.389 10 30 DEEERN CC(C)COC1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000173336286 402693166 /nfs/dbraw/zinc/69/31/66/402693166.db2.gz FIJPKKAHKJEKJW-UHFFFAOYSA-N 0 0 319.409 2.466 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCOc1cccc2ccccc21 ZINC000182988090 402731355 /nfs/dbraw/zinc/73/13/55/402731355.db2.gz XDXGRTQQJPDHJR-HNNXBMFYSA-N 0 0 314.385 2.455 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CCCC)cc1 ZINC000183183430 402745429 /nfs/dbraw/zinc/74/54/29/402745429.db2.gz HAGHODIEIDZHOK-HNNXBMFYSA-N 0 0 304.390 2.021 10 30 DEEERN C[C@H]1COCCN1c1ccc(NC(=O)c2ccnc(C#N)c2)cc1 ZINC000192709997 402745852 /nfs/dbraw/zinc/74/58/52/402745852.db2.gz LUFBXYCYHHYITE-ZDUSSCGKSA-N 0 0 322.368 2.431 10 30 DEEERN COC(=O)COc1ccc(N(C)Cc2ccc(C#N)o2)cc1 ZINC000183229501 402748581 /nfs/dbraw/zinc/74/85/81/402748581.db2.gz KUZYQCAUVHZKHG-UHFFFAOYSA-N 0 0 300.314 2.339 10 30 DEEERN C[C@@H]1Cc2ccccc2N1CCNC(=O)c1ccnc(C#N)c1 ZINC000192970651 402758681 /nfs/dbraw/zinc/75/86/81/402758681.db2.gz KPCUKDQIKYCOLM-CYBMUJFWSA-N 0 0 306.369 2.134 10 30 DEEERN C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183681985 402788689 /nfs/dbraw/zinc/78/86/89/402788689.db2.gz WDXBXUUUISKCKF-NHYWBVRUSA-N 0 0 323.356 2.083 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000183879765 402803034 /nfs/dbraw/zinc/80/30/34/402803034.db2.gz DBECSUTUJBQXLS-BFYDXBDKSA-N 0 0 313.401 2.405 10 30 DEEERN CSCCC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000194928901 402823370 /nfs/dbraw/zinc/82/33/70/402823370.db2.gz PLTSRGZPXBYSFJ-UHFFFAOYSA-N 0 0 307.394 2.099 10 30 DEEERN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccnc(C#N)c2)c1 ZINC000195057644 402829604 /nfs/dbraw/zinc/82/96/04/402829604.db2.gz NHCARPFWHGHMAI-LLVKDONJSA-N 0 0 311.341 2.461 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000183628345 402783070 /nfs/dbraw/zinc/78/30/70/402783070.db2.gz JRQGOJDIZVUOFL-HIFRSBDPSA-N 0 0 314.389 2.170 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@H](CC)Oc1ccccc1C ZINC000183660728 402786379 /nfs/dbraw/zinc/78/63/79/402786379.db2.gz DBLCNLHRHPMDRY-CABCVRRESA-N 0 0 306.406 2.389 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@H](CC)Oc1cccc(F)c1 ZINC000183670892 402787494 /nfs/dbraw/zinc/78/74/94/402787494.db2.gz SOPGKAIMISYYJN-KBPBESRZSA-N 0 0 310.369 2.219 10 30 DEEERN C=CCc1cc(C(=O)NC(C)(C)[C@H](C)O)cc(OC)c1OC ZINC000271271410 402851083 /nfs/dbraw/zinc/85/10/83/402851083.db2.gz IPUJUZPTQVQCRM-NSHDSACASA-N 0 0 307.390 2.322 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 ZINC000278905731 402884199 /nfs/dbraw/zinc/88/41/99/402884199.db2.gz QBMSYCPEFYZVDE-NVXWUHKLSA-N 0 0 316.445 2.193 10 30 DEEERN C#CCCNC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000265108698 402894547 /nfs/dbraw/zinc/89/45/47/402894547.db2.gz WGRFSNQLOOKZTF-UHFFFAOYSA-N 0 0 301.321 2.346 10 30 DEEERN C=CCOc1ccccc1CNC(=O)NC[C@@H]1CCC[C@H]1O ZINC000266773840 402990060 /nfs/dbraw/zinc/99/00/60/402990060.db2.gz GAAYFHZEJYDQBG-DZGCQCFKSA-N 0 0 304.390 2.212 10 30 DEEERN CC(=O)N1CCc2c1cccc2NC(=O)c1cc(C#N)ccn1 ZINC000566580149 292253603 /nfs/dbraw/zinc/25/36/03/292253603.db2.gz DFARCMUXIZMKHN-UHFFFAOYSA-N 0 0 306.325 2.115 10 30 DEEERN C#Cc1cccc(N(C(C)C)S(=O)(=O)c2ccnn2CC)c1 ZINC000274473354 403058994 /nfs/dbraw/zinc/05/89/94/403058994.db2.gz MTTWLZDALCRTAX-UHFFFAOYSA-N 0 0 317.414 2.488 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC000281291087 403062804 /nfs/dbraw/zinc/06/28/04/403062804.db2.gz CMRDSPXHAJBWIS-SNVBAGLBSA-N 0 0 309.322 2.052 10 30 DEEERN C=CCN1CC[C@@H](N2CCc3[nH]c4ccc(F)cc4c3C2)C1=O ZINC000281964137 403108944 /nfs/dbraw/zinc/10/89/44/403108944.db2.gz KQVYIJWBFYGHIA-QGZVFWFLSA-N 0 0 313.376 2.452 10 30 DEEERN C=C(C)COc1cccc(NC(=O)N2CC(=O)N(C)[C@H](C)C2)c1 ZINC000282745031 403159447 /nfs/dbraw/zinc/15/94/47/403159447.db2.gz NOHUHLSINQROEK-CYBMUJFWSA-N 0 0 317.389 2.336 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CCC(C(=O)OC)CC1 ZINC000282300856 403141273 /nfs/dbraw/zinc/14/12/73/403141273.db2.gz OPYATFADTOPNKX-UHFFFAOYSA-N 0 0 320.437 2.442 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](C)c1cc(F)ccc1OC ZINC000284574875 403269177 /nfs/dbraw/zinc/26/91/77/403269177.db2.gz XBDHGWOESLWFDU-LBPRGKRZSA-N 0 0 322.380 2.436 10 30 DEEERN C=CCCC(=O)NC[C@@](C)(NC(=O)CCC=C)C(F)(F)F ZINC000284603786 403269800 /nfs/dbraw/zinc/26/98/00/403269800.db2.gz HWEGNKRGYFLXFZ-CYBMUJFWSA-N 0 0 306.328 2.472 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cnc(OC)c(Cl)c1 ZINC000285148047 403278424 /nfs/dbraw/zinc/27/84/24/403278424.db2.gz YNUUQWAVLDQVRY-GWCFXTLKSA-N 0 0 310.781 2.455 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)N1CCCC[C@@H]1C ZINC000285227222 403279834 /nfs/dbraw/zinc/27/98/34/403279834.db2.gz FROLMGPHEXCJHQ-RDJZCZTQSA-N 0 0 320.458 2.330 10 30 DEEERN CN(C)C(=O)C1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000292247947 403333060 /nfs/dbraw/zinc/33/30/60/403333060.db2.gz JVLXYNSMECFVLO-UHFFFAOYSA-N 0 0 312.417 2.137 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@H]2CCC[C@@H](CO)C2)cc1 ZINC000298552045 403411529 /nfs/dbraw/zinc/41/15/29/403411529.db2.gz YXZHGMGPOSVRPR-CVEARBPZSA-N 0 0 303.402 2.461 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)CCCOc1ccccc1 ZINC000298703617 403443570 /nfs/dbraw/zinc/44/35/70/403443570.db2.gz ZFHIDTUYGDJXHU-UHFFFAOYSA-N 0 0 318.417 2.339 10 30 DEEERN C=CCC(F)(F)C(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000293508025 403490549 /nfs/dbraw/zinc/49/05/49/403490549.db2.gz XSSVOHUKSIBIMX-VXGBXAGGSA-N 0 0 315.316 2.142 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000286831899 403547454 /nfs/dbraw/zinc/54/74/54/403547454.db2.gz XGORTYBGMXXIPS-SMDDNHRTSA-N 0 0 308.809 2.455 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCCCC(=O)OC ZINC000287208730 403556140 /nfs/dbraw/zinc/55/61/40/403556140.db2.gz IHAFROKVLGIJBL-INIZCTEOSA-N 0 0 301.386 2.471 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)CSC(C)(C)C)c1 ZINC000299080488 403516356 /nfs/dbraw/zinc/51/63/56/403516356.db2.gz ZKSCUAWZQWBRTN-UHFFFAOYSA-N 0 0 304.415 2.254 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1c(CC)nn(C)c1CC ZINC000346329262 403585908 /nfs/dbraw/zinc/58/59/08/403585908.db2.gz FEAKJRGTLJZOQD-LRDDRELGSA-N 0 0 305.422 2.142 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H](Cc1ccccn1)C(=O)OCC ZINC000346950420 403608597 /nfs/dbraw/zinc/60/85/97/403608597.db2.gz GTXLIAVOEDCAIP-ZFWWWQNUSA-N 0 0 304.390 2.274 10 30 DEEERN C=CCNC(=O)Cc1noc(-c2csc(C(F)(F)F)n2)n1 ZINC000346956360 403608673 /nfs/dbraw/zinc/60/86/73/403608673.db2.gz BLWVVLTXHKZCIG-UHFFFAOYSA-N 0 0 318.280 2.057 10 30 DEEERN CCNC(=O)C1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000301355674 403619534 /nfs/dbraw/zinc/61/95/34/403619534.db2.gz OHHAASMYMDPFPS-UHFFFAOYSA-N 0 0 308.385 2.459 10 30 DEEERN N#Cc1ccc(N2CCC[C@@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000301484763 403636144 /nfs/dbraw/zinc/63/61/44/403636144.db2.gz YREVTDLFFVPHEF-GFCCVEGCSA-N 0 0 311.307 2.453 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](CCC(=O)OC)c1ccccc1 ZINC000287768182 403663752 /nfs/dbraw/zinc/66/37/52/403663752.db2.gz XTQVYCPIFGOHKY-KRWDZBQOSA-N 0 0 311.381 2.460 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)c2ccc(C)c(C#N)n2)c1 ZINC000302681299 403713210 /nfs/dbraw/zinc/71/32/10/403713210.db2.gz WYFAYXNOXJQQHU-UHFFFAOYSA-N 0 0 304.353 2.318 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C)[C@H]1CO ZINC000288200152 403740975 /nfs/dbraw/zinc/74/09/75/403740975.db2.gz PLHGEPRPFSSDKK-USXIJHARSA-N 0 0 300.402 2.033 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@H]1CCc2ccccc21 ZINC000347834484 403898701 /nfs/dbraw/zinc/89/87/01/403898701.db2.gz QIGQSQPYMKENMT-OAHLLOKOSA-N 0 0 300.402 2.257 10 30 DEEERN CC(C)(C)n1cc(C(=O)C(=O)N[C@](C)(C#N)C(C)(C)C)cn1 ZINC000361949907 403911406 /nfs/dbraw/zinc/91/14/06/403911406.db2.gz RNCNWVMAHYQPCY-MRXNPFEDSA-N 0 0 304.394 2.265 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN2CCCC[C@@H]2CC(N)=O)c1C ZINC000362229797 403937754 /nfs/dbraw/zinc/93/77/54/403937754.db2.gz SNVWBWGTAAFUOE-OAHLLOKOSA-N 0 0 317.433 2.204 10 30 DEEERN C=CCOCC(=O)NCc1ccc(OC)c(OC(F)F)c1 ZINC000354677202 403942608 /nfs/dbraw/zinc/94/26/08/403942608.db2.gz HQTCQJQRWYYHDG-UHFFFAOYSA-N 0 0 301.289 2.115 10 30 DEEERN C=CCN(C(=O)c1cc2[nH]ccc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000354795685 404017341 /nfs/dbraw/zinc/01/73/41/404017341.db2.gz VBHUAWFQWWUUFZ-JTQLQIEISA-N 0 0 324.427 2.045 10 30 DEEERN CC(C)(C)SCCCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000363113080 404078007 /nfs/dbraw/zinc/07/80/07/404078007.db2.gz XTHGONWEQNLQHE-CQSZACIVSA-N 0 0 309.479 2.497 10 30 DEEERN CC[C@H](C)OCC(=O)N1CC[C@H](n2ccc(NC(C)=O)n2)C1 ZINC000328614410 404114664 /nfs/dbraw/zinc/11/46/64/404114664.db2.gz VZFGBRVJYYLHEN-AAEUAGOBSA-N 0 0 308.382 2.080 10 30 DEEERN C=CCCOCCN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000349005294 404116262 /nfs/dbraw/zinc/11/62/62/404116262.db2.gz ZMHRCYWDPOHREX-MRXNPFEDSA-N 0 0 306.337 2.185 10 30 DEEERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)C2(CCOC)CCC2)C1 ZINC000328629664 404120486 /nfs/dbraw/zinc/12/04/86/404120486.db2.gz ILUNFEKYPYLTNV-UHFFFAOYSA-N 0 0 312.410 2.087 10 30 DEEERN Cc1ccc([C@H](O)CNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)o1 ZINC000328634811 404120540 /nfs/dbraw/zinc/12/05/40/404120540.db2.gz UGMBMOSDKDJBAW-GZBFAFLISA-N 0 0 319.361 2.089 10 30 DEEERN CO[C@@H]1C[C@@H](CO)N(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000329023814 404205709 /nfs/dbraw/zinc/20/57/09/404205709.db2.gz IVONMBDQYPCHRN-CQJMVSDSSA-N 0 0 310.438 2.341 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@H]2C[C@]2(F)c2ccccc2)C1=O ZINC000412312546 404242013 /nfs/dbraw/zinc/24/20/13/404242013.db2.gz HKJZOTIBKOMSOF-VKJFTORMSA-N 0 0 316.376 2.117 10 30 DEEERN Cc1cn2c(n1)[C@@H](CNC(=O)N1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000329237202 404274113 /nfs/dbraw/zinc/27/41/13/404274113.db2.gz OVKUBKWLFOYCOM-HZSPNIEDSA-N 0 0 306.410 2.092 10 30 DEEERN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC[C@H](C2CC2)C1 ZINC000329253103 404279166 /nfs/dbraw/zinc/27/91/66/404279166.db2.gz YWUMWUOXLIDAME-KKUMJFAQSA-N 0 0 318.421 2.379 10 30 DEEERN CC(C)(C)N1C[C@H](NC(=O)C[C@@H]2CCCCNC2=O)CC1=O ZINC000329260816 404282435 /nfs/dbraw/zinc/28/24/35/404282435.db2.gz CYRKKHDPDYPSGP-NWDGAFQWSA-N 0 0 309.410 2.489 10 30 DEEERN C[C@@H]1CC(CNS(=O)(=O)CC2(C#N)CCCC2)C[C@@H](C)O1 ZINC000329449663 404340817 /nfs/dbraw/zinc/34/08/17/404340817.db2.gz CJUQRPIFTLWDJY-CHWSQXEVSA-N 0 0 314.451 2.193 10 30 DEEERN C=CCSc1ccccc1NC(=O)CN1C[C@@H](O)C2(CC2)C1 ZINC000364318361 404347119 /nfs/dbraw/zinc/34/71/19/404347119.db2.gz QNGBIORFCAIVDI-OAHLLOKOSA-N 0 0 318.442 2.360 10 30 DEEERN CN1C(=O)COc2ccc(NC(=O)[C@@H]3[C@@H]4CCCO[C@H]34)cc21 ZINC000329476471 404347916 /nfs/dbraw/zinc/34/79/16/404347916.db2.gz BNQHDIWNRIMHKP-VQISRLSMSA-N 0 0 302.330 2.055 10 30 DEEERN COc1nnccc1NC(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329306636 404296275 /nfs/dbraw/zinc/29/62/75/404296275.db2.gz BFGUOMFDNUGZRJ-CQSZACIVSA-N 0 0 320.393 2.312 10 30 DEEERN O=C(C[C@H]1C=CCC1)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000329311395 404298260 /nfs/dbraw/zinc/29/82/60/404298260.db2.gz ZSGFIMKUJJXXLK-QWHCGFSZSA-N 0 0 312.435 2.256 10 30 DEEERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@@H]2CCC[C@H](C)CC2)nn1 ZINC000329337373 404306969 /nfs/dbraw/zinc/30/69/69/404306969.db2.gz PSUHWNBLDLVJBV-CTHBEMJXSA-N 0 0 322.409 2.138 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCc1ccc(Cl)c(OC)c1 ZINC000296948954 404385329 /nfs/dbraw/zinc/38/53/29/404385329.db2.gz QCQSKKZQWCDDLV-GFCCVEGCSA-N 0 0 312.797 2.127 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000356016899 404385977 /nfs/dbraw/zinc/38/59/77/404385977.db2.gz ZVAOSWLJZYBJTG-CABCVRRESA-N 0 0 324.465 2.369 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1c1nc([C@H]2CN3CCCC[C@@H]3CO2)no1 ZINC000329595728 404387801 /nfs/dbraw/zinc/38/78/01/404387801.db2.gz PAYYBXUHHSBCRS-KBUPBQIOSA-N 0 0 319.405 2.444 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)NC1CCC(C(N)=O)CC1 ZINC000356097064 404391160 /nfs/dbraw/zinc/39/11/60/404391160.db2.gz UACYOWNNULFVHQ-UHFFFAOYSA-N 0 0 315.417 2.428 10 30 DEEERN Cn1cccc1[C@@H]1CCCCN1CC(=O)NC1(C#N)CCC1 ZINC000372610008 404503962 /nfs/dbraw/zinc/50/39/62/404503962.db2.gz BABRGDILIXDMFL-HNNXBMFYSA-N 0 0 300.406 2.115 10 30 DEEERN C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)CCO1 ZINC000329950305 404504325 /nfs/dbraw/zinc/50/43/25/404504325.db2.gz CFQGPZRXQZPBIF-MQYQWHSLSA-N 0 0 322.384 2.165 10 30 DEEERN O=C(CC[C@H]1CCCO1)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000329985855 404516103 /nfs/dbraw/zinc/51/61/03/404516103.db2.gz RJUCNXKLLVZEIZ-MELADBBJSA-N 0 0 322.384 2.309 10 30 DEEERN CC#CCN(C)C(=O)NC1CCN(c2ccccc2OC)CC1 ZINC000297249621 404518259 /nfs/dbraw/zinc/51/82/59/404518259.db2.gz OJHVYUBHKDKPFD-UHFFFAOYSA-N 0 0 315.417 2.329 10 30 DEEERN Cn1nccc1[C@@H]1CCCCN1C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000329753507 404440655 /nfs/dbraw/zinc/44/06/55/404440655.db2.gz KCSXWVKLBIOUDU-VNQPRFMTSA-N 0 0 318.421 2.429 10 30 DEEERN C=CCC(C)(C)CNC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000352540665 404444079 /nfs/dbraw/zinc/44/40/79/404444079.db2.gz OBECSYAHGGVUIE-UHFFFAOYSA-N 0 0 313.401 2.195 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@H]1C(C)(C)O)CCC2 ZINC000329805377 404456673 /nfs/dbraw/zinc/45/66/73/404456673.db2.gz AOPJXULENRETGH-KBPBESRZSA-N 0 0 320.437 2.218 10 30 DEEERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000330198398 404581441 /nfs/dbraw/zinc/58/14/41/404581441.db2.gz TZXZIQPQFAKFBI-NWDGAFQWSA-N 0 0 312.435 2.356 10 30 DEEERN C=CCNC(=O)[C@H](C)N1CC(c2nc3ccccc3s2)C1 ZINC000342559222 404650556 /nfs/dbraw/zinc/65/05/56/404650556.db2.gz YCPWQWSOYQFUCT-NSHDSACASA-N 0 0 301.415 2.386 10 30 DEEERN C[C@H]1OCC[C@H]1NC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000330261047 404605644 /nfs/dbraw/zinc/60/56/44/404605644.db2.gz OVHJTTJNSDLIAZ-YCCFLXJFSA-N 0 0 310.438 2.483 10 30 DEEERN Cc1ncsc1CNC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000330272392 404609342 /nfs/dbraw/zinc/60/93/42/404609342.db2.gz XOUPHKVDMUJHBB-UHFFFAOYSA-N 0 0 304.375 2.024 10 30 DEEERN C=CCCCNC(=O)C(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000342499199 404618247 /nfs/dbraw/zinc/61/82/47/404618247.db2.gz CUWGXHUSZWSGHS-HNNXBMFYSA-N 0 0 308.422 2.019 10 30 DEEERN Cn1nccc1[C@@H]1CCCN(C(=O)c2sccc2C#N)C1 ZINC000373863246 404618709 /nfs/dbraw/zinc/61/87/09/404618709.db2.gz AOCBLEAPRPEMJS-GFCCVEGCSA-N 0 0 300.387 2.373 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000297821592 404633862 /nfs/dbraw/zinc/63/38/62/404633862.db2.gz KKRSPNZMSNQKDC-CYBMUJFWSA-N 0 0 322.430 2.073 10 30 DEEERN C=CCOc1ccc(CN2CCO[C@H]([C@@H](C)O)C2)cc1Cl ZINC000414561828 404682431 /nfs/dbraw/zinc/68/24/31/404682431.db2.gz AGHDHGFZWUYGAX-WBMJQRKESA-N 0 0 311.809 2.486 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)NCc1csc(CC)n1 ZINC000345310489 404670211 /nfs/dbraw/zinc/67/02/11/404670211.db2.gz OOMSFWHHJLCICQ-NSHDSACASA-N 0 0 309.435 2.183 10 30 DEEERN CC1(C#N)CCN(C(=O)[C@@H](O)Cc2ccccc2Cl)CC1 ZINC000358152777 404755261 /nfs/dbraw/zinc/75/52/61/404755261.db2.gz PFEOPONLSAJEQR-AWEZNQCLSA-N 0 0 306.793 2.396 10 30 DEEERN C=C(C)[C@@H](CC(=O)N[C@H](C)c1noc(COCC)n1)OCC ZINC000358377695 404761116 /nfs/dbraw/zinc/76/11/16/404761116.db2.gz AWWJXCNCKIMQER-VXGBXAGGSA-N 0 0 311.382 2.155 10 30 DEEERN Cc1nnc([C@H]2CN(Cc3cn4ccccc4c3C#N)CCO2)o1 ZINC000365817480 404725797 /nfs/dbraw/zinc/72/57/97/404725797.db2.gz BSCQCIUHFGNZFO-MRXNPFEDSA-N 0 0 323.356 2.076 10 30 DEEERN C=C(C)CS(=O)(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000366619220 404824742 /nfs/dbraw/zinc/82/47/42/404824742.db2.gz IHJPJEGQIKCHCT-GJZGRUSLSA-N 0 0 312.410 2.066 10 30 DEEERN C=C(C)CS(=O)(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000366619219 404824794 /nfs/dbraw/zinc/82/47/94/404824794.db2.gz IHJPJEGQIKCHCT-CABCVRRESA-N 0 0 312.410 2.066 10 30 DEEERN C#Cc1cccc(NC(=O)N2C[C@H](CC)O[C@@]3(CCOC3)C2)c1 ZINC000366812407 404851394 /nfs/dbraw/zinc/85/13/94/404851394.db2.gz UCECNQVMXVUXIL-WMZOPIPTSA-N 0 0 314.385 2.470 10 30 DEEERN C=CCOc1ccccc1CN(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000353783501 404966459 /nfs/dbraw/zinc/96/64/59/404966459.db2.gz XPWWMTOZSIOAHW-AWEZNQCLSA-N 0 0 309.431 2.118 10 30 DEEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000434603430 404913131 /nfs/dbraw/zinc/91/31/31/404913131.db2.gz BBOHHJNACWYYSB-NXEZZACHSA-N 0 0 307.419 2.287 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN[C@@H](Cc1ccc(F)cc1)C(=O)OC ZINC000424122492 405014080 /nfs/dbraw/zinc/01/40/80/405014080.db2.gz GWVJHAQAVGRWFO-BPUTZDHNSA-N 0 0 307.365 2.091 10 30 DEEERN Cn1c(C#N)ccc1C(=O)Nc1nc(C2CCOCC2)cs1 ZINC000451750628 405023995 /nfs/dbraw/zinc/02/39/95/405023995.db2.gz VUGQJHVHUHWRQS-UHFFFAOYSA-N 0 0 316.386 2.500 10 30 DEEERN N#Cc1ccnc(N[C@H]2CCCN(c3ccccc3C(N)=O)C2)c1 ZINC000367272692 404990177 /nfs/dbraw/zinc/99/01/77/404990177.db2.gz WNSIHBPRSMDNFY-AWEZNQCLSA-N 0 0 321.384 2.133 10 30 DEEERN C=CCC[C@H](CO)NS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000452022327 405128555 /nfs/dbraw/zinc/12/85/55/405128555.db2.gz KXEYFVHPBMDKAE-SNVBAGLBSA-N 0 0 321.801 2.393 10 30 DEEERN C[C@@H]1CCOCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000367661516 405117303 /nfs/dbraw/zinc/11/73/03/405117303.db2.gz LLCMFCJIRRQGQV-OAHLLOKOSA-N 0 0 301.390 2.044 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@H](C(=O)NCCC)C2)CCOCC1 ZINC000424628647 405132293 /nfs/dbraw/zinc/13/22/93/405132293.db2.gz PZQTTXOUGJUTMN-HNNXBMFYSA-N 0 0 322.449 2.124 10 30 DEEERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(F)c(C#N)c2)no1 ZINC000367736936 405140304 /nfs/dbraw/zinc/14/03/04/405140304.db2.gz GFJVMDMWULAXAU-ZDUSSCGKSA-N 0 0 300.293 2.366 10 30 DEEERN C=CCC1(C(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)CCOCC1 ZINC000424661763 405142008 /nfs/dbraw/zinc/14/20/08/405142008.db2.gz WSGGURFQLUGOAJ-LSDHHAIUSA-N 0 0 322.449 2.265 10 30 DEEERN C=CCCn1cc(C(=O)NCCc2cc(F)ccc2F)nn1 ZINC000424715647 405156859 /nfs/dbraw/zinc/15/68/59/405156859.db2.gz UYFCHDIGXCONPB-UHFFFAOYSA-N 0 0 306.316 2.105 10 30 DEEERN C=CCC1(C(=O)NCCc2cccc(OC)n2)CCOCC1 ZINC000424719927 405158080 /nfs/dbraw/zinc/15/80/80/405158080.db2.gz SUJZCJKRZJGKIH-UHFFFAOYSA-N 0 0 304.390 2.122 10 30 DEEERN C=CCC1(C(=O)Nc2cc(C(=O)OC)n(C)c2)CCOCC1 ZINC000424720036 405158082 /nfs/dbraw/zinc/15/80/82/405158082.db2.gz ZNNCVFSRJPIRBC-UHFFFAOYSA-N 0 0 306.362 2.123 10 30 DEEERN C=CCC1(C(=O)NCCc2cnc(C3CC3)nc2)CCOCC1 ZINC000424749101 405166415 /nfs/dbraw/zinc/16/64/15/405166415.db2.gz IYKABXUPHRYICD-UHFFFAOYSA-N 0 0 315.417 2.386 10 30 DEEERN C=CCC1(C(=O)NCc2nccc(C(F)F)n2)CCOCC1 ZINC000424820419 405188041 /nfs/dbraw/zinc/18/80/41/405188041.db2.gz AKGUNWMADHSLSI-UHFFFAOYSA-N 0 0 311.332 2.403 10 30 DEEERN C=C(C)CN(C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000367940776 405197737 /nfs/dbraw/zinc/19/77/37/405197737.db2.gz GUTOEAUAOUTGFC-NVXWUHKLSA-N 0 0 316.401 2.249 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cncn1CC ZINC000416628430 405201035 /nfs/dbraw/zinc/20/10/35/405201035.db2.gz GGFZMANSMXNOMU-HNNXBMFYSA-N 0 0 319.430 2.369 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000424930893 405214740 /nfs/dbraw/zinc/21/47/40/405214740.db2.gz HVASWFOWDWXJHX-ZVZYQTTQSA-N 0 0 314.429 2.141 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CO)c1ccsc1 ZINC000438063899 405229718 /nfs/dbraw/zinc/22/97/18/405229718.db2.gz RRLRBJVNLAYLPO-XBFCOCLRSA-N 0 0 310.419 2.062 10 30 DEEERN C=C(C)CCNC(=O)c1cnn(-c2ccc(OCC)nn2)c1C ZINC000452722716 405233566 /nfs/dbraw/zinc/23/35/66/405233566.db2.gz KSEYMTXERLOTNH-UHFFFAOYSA-N 0 0 315.377 2.065 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1nn(C)cc1Br ZINC000452767894 405239208 /nfs/dbraw/zinc/23/92/08/405239208.db2.gz RQLXTBPSGOHUIX-SECBINFHSA-N 0 0 300.200 2.401 10 30 DEEERN C=CCN(CC=C)C(=O)CSCc1cn(CC2CC2)nn1 ZINC000419567949 405258032 /nfs/dbraw/zinc/25/80/32/405258032.db2.gz JTVKYFPPWKROLP-UHFFFAOYSA-N 0 0 306.435 2.122 10 30 DEEERN C=C(C)CCNC(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000454210406 405310343 /nfs/dbraw/zinc/31/03/43/405310343.db2.gz IRDWUIMZRHTAHU-UHFFFAOYSA-N 0 0 317.433 2.284 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1C ZINC000425784292 405319696 /nfs/dbraw/zinc/31/96/96/405319696.db2.gz MHENZKFDMHRPDX-FZMZJTMJSA-N 0 0 322.792 2.294 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C(C)C)[C@@H](CO)C(C)C ZINC000425872982 405325801 /nfs/dbraw/zinc/32/58/01/405325801.db2.gz JOHPMNKYURBLFG-YHUYYLMFSA-N 0 0 312.454 2.166 10 30 DEEERN C=CCCCC(=O)NCc1ncn(Cc2cccc(F)c2)n1 ZINC000440844511 405329036 /nfs/dbraw/zinc/32/90/36/405329036.db2.gz IGRDRMQTSZVIMZ-UHFFFAOYSA-N 0 0 302.353 2.438 10 30 DEEERN CCn1ncc2cc(C(=O)Nc3cc(C#N)ccn3)c(C)nc21 ZINC000440871923 405329560 /nfs/dbraw/zinc/32/95/60/405329560.db2.gz PUNBYONPRPKGLG-UHFFFAOYSA-N 0 0 306.329 2.279 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N(CCOC)Cc1ccnn1C ZINC000426221797 405345607 /nfs/dbraw/zinc/34/56/07/405345607.db2.gz DROSQTQYPGBYHA-AWEZNQCLSA-N 0 0 308.426 2.323 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(OCCC)nc1 ZINC000425451033 405292730 /nfs/dbraw/zinc/29/27/30/405292730.db2.gz ZQRIRVJHCAHNKT-GJZGRUSLSA-N 0 0 319.405 2.261 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CCOCC1 ZINC000425544070 405300669 /nfs/dbraw/zinc/30/06/69/405300669.db2.gz DAZWXNJUCXSCLF-HZPDHXFCSA-N 0 0 306.450 2.302 10 30 DEEERN Cn1cc([C@H](NC(=O)c2ccc(C#N)c(O)c2)C(F)(F)F)cn1 ZINC000446920664 405396674 /nfs/dbraw/zinc/39/66/74/405396674.db2.gz BNIDLACZGPORDE-LBPRGKRZSA-N 0 0 324.262 2.031 10 30 DEEERN CN(CCOc1ccccc1F)C(=O)c1ccc(C#N)n1C ZINC000448616924 405427671 /nfs/dbraw/zinc/42/76/71/405427671.db2.gz SHCLFCVAPVHMNJ-UHFFFAOYSA-N 0 0 301.321 2.187 10 30 DEEERN CN(CCCNC(=O)c1ccc(C#N)n1C)c1ccccc1F ZINC000448759505 405444844 /nfs/dbraw/zinc/44/48/44/405444844.db2.gz OKIUGSAKWWGMOB-UHFFFAOYSA-N 0 0 314.364 2.292 10 30 DEEERN CC(C)[C@@H](NC(=O)c1ccc(C#N)n1C)c1nc(C2CC2)no1 ZINC000448891161 405460046 /nfs/dbraw/zinc/46/00/46/405460046.db2.gz PWVCPYFYWVUGNX-CYBMUJFWSA-N 0 0 313.361 2.284 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC000527976193 405468243 /nfs/dbraw/zinc/46/82/43/405468243.db2.gz AHMNDCASVJTVDU-GLQYFDAESA-N 0 0 320.389 2.408 10 30 DEEERN C=C(C)Cn1c(N(C)[C@@H]2CCOC2)nnc1[C@]1(C)CCCO1 ZINC000556440421 405482510 /nfs/dbraw/zinc/48/25/10/405482510.db2.gz ONKJPBZBQSLPCN-CJNGLKHVSA-N 0 0 306.410 2.105 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000456772366 405558902 /nfs/dbraw/zinc/55/89/02/405558902.db2.gz WRMUGAJPFLKYMU-OLZOCXBDSA-N 0 0 305.422 2.081 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)c1sc([C@H]2CCCOC2)nc1C ZINC000456772482 405559188 /nfs/dbraw/zinc/55/91/88/405559188.db2.gz WXHUCDGYWVXKIK-STQMWFEESA-N 0 0 324.446 2.402 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1ncsc1Br ZINC000556804759 405537103 /nfs/dbraw/zinc/53/71/03/405537103.db2.gz DIAAFXBGWZLHFU-SFYZADRCSA-N 0 0 317.208 2.369 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000456764745 405555491 /nfs/dbraw/zinc/55/54/91/405555491.db2.gz FTEWGCPSPIZRRZ-SNVBAGLBSA-N 0 0 303.318 2.133 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)Cc1sccc1Br ZINC000456767044 405555750 /nfs/dbraw/zinc/55/57/50/405555750.db2.gz LVGRWRKYDIRVKT-VIFPVBQESA-N 0 0 318.236 2.496 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(C(F)(F)F)cnc1C ZINC000635989365 405661406 /nfs/dbraw/zinc/66/14/06/405661406.db2.gz PZJMVYFYTZDEQR-NEPJUHHUSA-N 0 0 300.280 2.482 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@H](C(C)C)C1 ZINC000558674678 405687050 /nfs/dbraw/zinc/68/70/50/405687050.db2.gz FUVVSPQPWDXOSJ-KBPBESRZSA-N 0 0 306.410 2.034 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C(F)(F)F)c[nH]c1=O ZINC000636056733 405710573 /nfs/dbraw/zinc/71/05/73/405710573.db2.gz VWQMBHPZUONKEQ-KWQFWETISA-N 0 0 316.279 2.127 10 30 DEEERN C=CCOc1cccc(NC(=O)N(CCO)[C@@H]2CCO[C@@H]2C)c1 ZINC000431979495 405704352 /nfs/dbraw/zinc/70/43/52/405704352.db2.gz DTMWBWRCYLSOSY-CZUORRHYSA-N 0 0 320.389 2.255 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000529026663 405746675 /nfs/dbraw/zinc/74/66/75/405746675.db2.gz WPJQENMQIRGMGC-HOTGVXAUSA-N 0 0 322.836 2.358 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1cn(C)nc1-c1ccc(C)o1 ZINC000529452086 405758733 /nfs/dbraw/zinc/75/87/33/405758733.db2.gz KUWJIHNPKDTAIY-OLZOCXBDSA-N 0 0 301.346 2.062 10 30 DEEERN C=CCC(C)(C)CNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000432554510 405780600 /nfs/dbraw/zinc/78/06/00/405780600.db2.gz CUBYDUSQSXLAON-AWEZNQCLSA-N 0 0 319.453 2.290 10 30 DEEERN COCCOc1ccccc1CNC(=O)Cc1cccc(C#N)c1 ZINC000530907894 405879829 /nfs/dbraw/zinc/87/98/29/405879829.db2.gz JDSKRDOMVYYISO-UHFFFAOYSA-N 0 0 324.380 2.442 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCc1nnc2ccc(Cl)cn21)OCC ZINC000636256342 405842235 /nfs/dbraw/zinc/84/22/35/405842235.db2.gz DHKGVGCAYGRGHG-GFCCVEGCSA-N 0 0 322.796 2.370 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N[C@@H]1Cc2ccccc2N(C)C1 ZINC000636263663 405848460 /nfs/dbraw/zinc/84/84/60/405848460.db2.gz GQWUDYORWNHYLW-QAPCUYQASA-N 0 0 302.418 2.393 10 30 DEEERN C=C(C)C(C)(C)C(=O)N1CCN(c2cncc(OC)c2)CC1 ZINC000636274983 405856001 /nfs/dbraw/zinc/85/60/01/405856001.db2.gz YPUHTQPGZOUEMH-UHFFFAOYSA-N 0 0 303.406 2.341 10 30 DEEERN C=CCCC(C)(C)CNC(=O)CNc1ccccc1C(N)=O ZINC000633965666 405933384 /nfs/dbraw/zinc/93/33/84/405933384.db2.gz YVRJVQGPRIOWMA-UHFFFAOYSA-N 0 0 303.406 2.306 10 30 DEEERN COCC[C@@H](NC(=O)c1ccc(C#N)n1C)c1ccc(C)o1 ZINC000450466909 405911880 /nfs/dbraw/zinc/91/18/80/405911880.db2.gz BROQUUOQAYACLW-CYBMUJFWSA-N 0 0 301.346 2.306 10 30 DEEERN C=CCOc1ccccc1C(=O)N(C)[C@H]1CCCCN(C)C1=O ZINC000634141832 406018358 /nfs/dbraw/zinc/01/83/58/406018358.db2.gz DTOXEMGROHJXSP-HNNXBMFYSA-N 0 0 316.401 2.334 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000636515208 405996163 /nfs/dbraw/zinc/99/61/63/405996163.db2.gz UXYVULFTFSYAMX-OWCLPIDISA-N 0 0 323.481 2.482 10 30 DEEERN N#CC1(CNC(=O)NCCOCc2ccc(Cl)cc2)CC1 ZINC000562384631 405998897 /nfs/dbraw/zinc/99/88/97/405998897.db2.gz VFFWPVNUMPPZIL-UHFFFAOYSA-N 0 0 307.781 2.460 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000566565265 406089649 /nfs/dbraw/zinc/08/96/49/406089649.db2.gz GENIYZOTZPOHFI-DZGCQCFKSA-N 0 0 305.422 2.342 10 30 DEEERN C=CCn1c([C@H]2CCCS2)nnc1N(C)Cc1cnccn1 ZINC000567462946 406096789 /nfs/dbraw/zinc/09/67/89/406096789.db2.gz PEMOWTYYQTXIFN-CYBMUJFWSA-N 0 0 316.434 2.459 10 30 DEEERN C=CCn1c(N(C)CC2CCOCC2)nnc1[C@@]1(C)CCCO1 ZINC000567575207 406098816 /nfs/dbraw/zinc/09/88/16/406098816.db2.gz YSGQPELYTGPHPQ-QGZVFWFLSA-N 0 0 320.437 2.353 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000514858369 406055972 /nfs/dbraw/zinc/05/59/72/406055972.db2.gz UOLLHKUWFKDXBP-CWRNSKLLSA-N 0 0 301.390 2.423 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000515782732 406079321 /nfs/dbraw/zinc/07/93/21/406079321.db2.gz KWOWXOFTNDNYDX-PWXKEOIMSA-N 0 0 316.401 2.364 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2ccc3c(c2)C(=O)NCC3)C1 ZINC000637042307 406160162 /nfs/dbraw/zinc/16/01/62/406160162.db2.gz LUJMZCFOWOQHQQ-CYBMUJFWSA-N 0 0 313.401 2.080 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC000637070011 406167415 /nfs/dbraw/zinc/16/74/15/406167415.db2.gz JWNLWSSVTXRZGR-MRXNPFEDSA-N 0 0 315.417 2.464 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCCC1(C)C ZINC000636979880 406139469 /nfs/dbraw/zinc/13/94/69/406139469.db2.gz ILOZQOGBNZWWCR-KKUMJFAQSA-N 0 0 322.449 2.026 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000636993036 406144034 /nfs/dbraw/zinc/14/40/34/406144034.db2.gz WYMUGXANQHRLBB-BETUJISGSA-N 0 0 310.438 2.167 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000632572025 406186889 /nfs/dbraw/zinc/18/68/89/406186889.db2.gz NIQCSCOYCJYOHC-DTORHVGOSA-N 0 0 321.324 2.300 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCS[C@@H](C)CC1 ZINC000632610114 406199225 /nfs/dbraw/zinc/19/92/25/406199225.db2.gz WPVMETGRQWRNTH-ZDUSSCGKSA-N 0 0 312.479 2.449 10 30 DEEERN C=CCCS(=O)(=O)N[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000632611728 406199265 /nfs/dbraw/zinc/19/92/65/406199265.db2.gz QQEBDMWKPCSUME-ZDUSSCGKSA-N 0 0 321.801 2.398 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000568241473 406216839 /nfs/dbraw/zinc/21/68/39/406216839.db2.gz NUXLPRIMAFPSMF-UHFFFAOYSA-N 0 0 315.391 2.399 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](O)[C@H]1CCCO1 ZINC000637224890 406219742 /nfs/dbraw/zinc/21/97/42/406219742.db2.gz RYGDMUNNDHUGIF-IXDOHACOSA-N 0 0 318.417 2.013 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCc1nc([C@H]2CCCO2)n[nH]1 ZINC000637253284 406229576 /nfs/dbraw/zinc/22/95/76/406229576.db2.gz GPTBOPOOZZSYPR-GFCCVEGCSA-N 0 0 321.425 2.448 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCCc3c2ccc(=O)n3C)C1 ZINC000637256061 406230327 /nfs/dbraw/zinc/23/03/27/406230327.db2.gz OYKKXAASQYDFDF-HIFRSBDPSA-N 0 0 315.417 2.370 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1c2c(nn1C)CCCC2 ZINC000632536530 406173937 /nfs/dbraw/zinc/17/39/37/406173937.db2.gz NUVXAJBTVOKJPS-UHFFFAOYSA-N 0 0 311.451 2.324 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000637319755 406256639 /nfs/dbraw/zinc/25/66/39/406256639.db2.gz HQCOFNCJFJISHF-OAHLLOKOSA-N 0 0 309.454 2.095 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000637319754 406256721 /nfs/dbraw/zinc/25/67/21/406256721.db2.gz HQCOFNCJFJISHF-HNNXBMFYSA-N 0 0 309.454 2.095 10 30 DEEERN C=CCN(CC=C)C(=O)NC[C@H](n1cccn1)C(F)(F)F ZINC000637334676 406264086 /nfs/dbraw/zinc/26/40/86/406264086.db2.gz PMMKRWAUVFQHIX-NSHDSACASA-N 0 0 302.300 2.370 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cc1cn2cc(C)sc2n1 ZINC000632841109 406285515 /nfs/dbraw/zinc/28/55/15/406285515.db2.gz SODYQXMSKRSJHB-DOMZBBRYSA-N 0 0 319.430 2.344 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cnnn2-c2cccc(F)c2)C1 ZINC000637498645 406329534 /nfs/dbraw/zinc/32/95/34/406329534.db2.gz OQNWFVQUSSTVDI-GFCCVEGCSA-N 0 0 300.337 2.445 10 30 DEEERN CC#CCNC(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633141512 406394118 /nfs/dbraw/zinc/39/41/18/406394118.db2.gz KYTNROSFGJJDBA-LBPRGKRZSA-N 0 0 300.280 2.061 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)Nc1cnn2c1CCCC2 ZINC000635062939 406414843 /nfs/dbraw/zinc/41/48/43/406414843.db2.gz GEDLTBPXRYMOBX-UHFFFAOYSA-N 0 0 318.421 2.363 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000637621951 406369636 /nfs/dbraw/zinc/36/96/36/406369636.db2.gz UEGXHQAPCNXREZ-ZDUSSCGKSA-N 0 0 316.467 2.055 10 30 DEEERN C=C(C)CS(=O)(=O)NC(C)(C)c1cc(C(F)(F)F)on1 ZINC000490466271 406466282 /nfs/dbraw/zinc/46/62/82/406466282.db2.gz ZOHGDOOTSDBVMY-UHFFFAOYSA-N 0 0 312.313 2.424 10 30 DEEERN Cn1nccc1[C@H]1CCCN(C(=O)Cc2cccc(C#N)c2)C1 ZINC000549085266 406575396 /nfs/dbraw/zinc/57/53/96/406575396.db2.gz LKRCDXRFVVGSEM-INIZCTEOSA-N 0 0 308.385 2.240 10 30 DEEERN C=CCn1c(CC)nnc1N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000574772337 406785719 /nfs/dbraw/zinc/78/57/19/406785719.db2.gz GVEPRDUKGHNRFL-LBPRGKRZSA-N 0 0 306.410 2.195 10 30 DEEERN N#Cc1c(O)cc(I)cc1OC(F)F ZINC000575662187 406817103 /nfs/dbraw/zinc/81/71/03/406817103.db2.gz SWAOVWFDGUBIIW-UHFFFAOYSA-N 0 0 311.025 2.470 10 30 DEEERN CCOc1cc([N+](=O)[O-])cc(I)c1C#N ZINC000575669997 406817339 /nfs/dbraw/zinc/81/73/39/406817339.db2.gz BBBZEWGLMPDDBL-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN CCOC(=O)Cc1cc(OC(F)(F)F)cc(C#N)c1C=O ZINC000575390882 406809092 /nfs/dbraw/zinc/80/90/92/406809092.db2.gz ICTSZWZTBCHJFL-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN CCOC(=O)Cc1cc(C#N)c([N+](=O)[O-])c(OC(F)(F)F)c1 ZINC000575395955 406809809 /nfs/dbraw/zinc/80/98/09/406809809.db2.gz XXLLUNXZRQICMY-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN C#CCN1C(=O)c2cc(Br)ccc2C(C)(C)C1=O ZINC000575423011 406809843 /nfs/dbraw/zinc/80/98/43/406809843.db2.gz POCKMUKTGNGMFI-UHFFFAOYSA-N 0 0 306.159 2.342 10 30 DEEERN C=CCN(CCC#N)C(=O)c1ncsc1Br ZINC000575974089 406828069 /nfs/dbraw/zinc/82/80/69/406828069.db2.gz NYKTXFSHBQPYNE-UHFFFAOYSA-N 0 0 300.181 2.447 10 30 DEEERN Cc1cc(CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)on1 ZINC000569719998 292437933 /nfs/dbraw/zinc/43/79/33/292437933.db2.gz NMKUITSYIHTPBC-UHFFFAOYSA-N 0 0 313.332 2.384 10 30 DEEERN CCOC(=O)[C@](C)(C#N)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000128896859 196001983 /nfs/dbraw/zinc/00/19/83/196001983.db2.gz ZBMVSPRJYQFLMH-CYBMUJFWSA-N 0 0 317.313 2.027 10 30 DEEERN Cc1ccc(C(=O)NC[C@]2(C)CCCS2)cc1C#CCO ZINC000130187053 196084617 /nfs/dbraw/zinc/08/46/17/196084617.db2.gz BVCRNDMLKVRHEY-KRWDZBQOSA-N 0 0 303.427 2.354 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(C(=O)OC)c(C)c1 ZINC000130540205 196088283 /nfs/dbraw/zinc/08/82/83/196088283.db2.gz RHPMYGYOLALNNQ-UHFFFAOYSA-N 0 0 318.373 2.145 10 30 DEEERN COc1cccc(CNC(=O)c2c(F)cc(C#N)cc2F)n1 ZINC000130645187 196097737 /nfs/dbraw/zinc/09/77/37/196097737.db2.gz ADGKUAZHSUWYIT-UHFFFAOYSA-N 0 0 303.268 2.170 10 30 DEEERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000131501002 196175197 /nfs/dbraw/zinc/17/51/97/196175197.db2.gz ARQDCZLBENBTFP-GFCCVEGCSA-N 0 0 314.389 2.368 10 30 DEEERN C=CCNc1ncc(C(=O)N[C@H]2CC[C@@H](C(=O)OCC)C2)s1 ZINC000131945766 196212784 /nfs/dbraw/zinc/21/27/84/196212784.db2.gz WOXMXUXXPYIZLY-MNOVXSKESA-N 0 0 323.418 2.203 10 30 DEEERN CC(C)(C)S(=O)(=O)Nc1ccc(Cl)cc1C#CCO ZINC000131955743 196213374 /nfs/dbraw/zinc/21/33/74/196213374.db2.gz MHSNYEUZQLTOGS-UHFFFAOYSA-N 0 0 301.795 2.224 10 30 DEEERN CCN1CCO[C@@H](CNc2ccc(Br)cc2C#N)C1 ZINC000132381932 196250955 /nfs/dbraw/zinc/25/09/55/196250955.db2.gz FBKDZTIZXVNVDF-ZDUSSCGKSA-N 0 0 324.222 2.453 10 30 DEEERN CC(C)Cc1nn(-c2ncnc3[nH]cnc32)c(Cl)c1C#N ZINC000132452643 196257073 /nfs/dbraw/zinc/25/70/73/196257073.db2.gz AHNUVOWHKRMCMV-UHFFFAOYSA-N 0 0 301.741 2.262 10 30 DEEERN CN(c1cccc(C#N)c1)c1nc(N)ncc1Br ZINC000133059153 196308515 /nfs/dbraw/zinc/30/85/15/196308515.db2.gz DOQPUFYPZGCIKT-UHFFFAOYSA-N 0 0 304.151 2.461 10 30 DEEERN C#CC[C@@H](CC)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000135106621 196445068 /nfs/dbraw/zinc/44/50/68/196445068.db2.gz XCRJKARSYGFJIS-SNVBAGLBSA-N 0 0 311.794 2.068 10 30 DEEERN C=CCN(C1CC1)S(=O)(=O)c1cc(CO)ccc1Cl ZINC000135369588 196469304 /nfs/dbraw/zinc/46/93/04/196469304.db2.gz NPWYRPPRFXJJPC-UHFFFAOYSA-N 0 0 301.795 2.171 10 30 DEEERN CCSC[C@@H](C)NC(=O)c1ccc(C#CCCO)c(F)c1 ZINC000135452819 196475336 /nfs/dbraw/zinc/47/53/36/196475336.db2.gz IMJSLHTVLVCALJ-GFCCVEGCSA-N 0 0 309.406 2.431 10 30 DEEERN C=CCN(CCc1ccccc1)S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000135550004 196486696 /nfs/dbraw/zinc/48/66/96/196486696.db2.gz RJTSGXRPPFIPKC-HOCLYGCPSA-N 0 0 309.431 2.224 10 30 DEEERN Cc1cc(C(=O)N2CCSC[C@@H]2C)ccc1C#CCCO ZINC000137759392 196580004 /nfs/dbraw/zinc/58/00/04/196580004.db2.gz JQTWQOFEJJYKJH-AWEZNQCLSA-N 0 0 303.427 2.306 10 30 DEEERN N#Cc1ccc(SCC(=O)N[C@@H]2CCCC[C@H]2CO)cc1 ZINC000151121984 196634374 /nfs/dbraw/zinc/63/43/74/196634374.db2.gz XSYRFPYMOBCIBC-DZGCQCFKSA-N 0 0 304.415 2.318 10 30 DEEERN C[C@H](CO[C@H]1CCOC1)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181548477 224905305 /nfs/dbraw/zinc/90/53/05/224905305.db2.gz LJAOUWDFUFTSEA-CJNGLKHVSA-N 0 0 314.385 2.166 10 30 DEEERN C[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)Cn1cccn1 ZINC000188308329 225017118 /nfs/dbraw/zinc/01/71/18/225017118.db2.gz WKJORVGTTHVEIO-CQSZACIVSA-N 0 0 308.385 2.239 10 30 DEEERN Cc1cc(C)n(C[C@H]2CN(CC#Cc3ccccc3)CCO2)n1 ZINC000192008268 225121520 /nfs/dbraw/zinc/12/15/20/225121520.db2.gz DMMMGUGJMKVFTI-LJQANCHMSA-N 0 0 309.413 2.252 10 30 DEEERN C[C@@H]1CC[C@H](C(=O)N[C@H](c2nccn2C)C2CCOCC2)O1 ZINC000328970789 225821951 /nfs/dbraw/zinc/82/19/51/225821951.db2.gz BHOSABQLCDXKSA-BNOWGMLFSA-N 0 0 307.394 2.412 10 30 DEEERN Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)C2CC=CC2)CC(=O)N1C ZINC000330111471 225967449 /nfs/dbraw/zinc/96/74/49/225967449.db2.gz BCWYFTXNKKUYMQ-CZUORRHYSA-N 0 0 316.405 2.231 10 30 DEEERN Cc1cc2c(cc1NC(=O)N1CCO[C@@H](C3CC3)C1)OCO2 ZINC000330150845 225972697 /nfs/dbraw/zinc/97/26/97/225972697.db2.gz VXDZGJOVYDUWHW-OAHLLOKOSA-N 0 0 304.346 2.380 10 30 DEEERN O=C(NC[C@H]1CCC(F)(F)C1)N1CCc2cc[nH]c(=O)c2C1 ZINC000330290744 225990850 /nfs/dbraw/zinc/99/08/50/225990850.db2.gz GCAPNWAJZFFIIZ-JTQLQIEISA-N 0 0 311.332 2.495 10 30 DEEERN N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000333748947 226110032 /nfs/dbraw/zinc/11/00/32/226110032.db2.gz NKFMQOBBWYMXQH-DRPJVOAASA-N 0 0 314.389 2.293 10 30 DEEERN C=CCN(CC=C)c1nnc([C@H]2COCCO2)n1CC(=C)C ZINC000291016976 222074493 /nfs/dbraw/zinc/07/44/93/222074493.db2.gz MKSSLUIEXLEYSS-CQSZACIVSA-N 0 0 304.394 2.121 10 30 DEEERN N#CC1(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CCCCC1 ZINC000408308276 227230877 /nfs/dbraw/zinc/23/08/77/227230877.db2.gz VCYFPCSVKMDTDQ-ZDUSSCGKSA-N 0 0 304.312 2.376 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000408338641 227231905 /nfs/dbraw/zinc/23/19/05/227231905.db2.gz LTVFXJZUBCNUIM-JJXSEGSLSA-N 0 0 317.433 2.224 10 30 DEEERN N#CC1CCN(S(=O)(=O)c2cnc3ccc(F)cc3c2)CC1 ZINC000408379920 227232873 /nfs/dbraw/zinc/23/28/73/227232873.db2.gz QWSVOGHHYRBOKQ-UHFFFAOYSA-N 0 0 319.361 2.298 10 30 DEEERN CN(Cc1ncc(C2CC2)o1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000534032433 269997103 /nfs/dbraw/zinc/99/71/03/269997103.db2.gz PIUDSZFNHCLXKK-UHFFFAOYSA-N 0 0 317.370 2.244 10 30 DEEERN CC#CCCNC(=O)N[C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000361525592 424844458 /nfs/dbraw/zinc/84/44/58/424844458.db2.gz OHKLMRLWHUMYCS-NSHDSACASA-N 0 0 323.418 2.402 10 30 DEEERN COC(=O)CCN(Cc1ccccc1)C(=O)c1ccnc(C#N)c1 ZINC000192900895 424865988 /nfs/dbraw/zinc/86/59/88/424865988.db2.gz UCEVKTCLPVKIOF-UHFFFAOYSA-N 0 0 323.352 2.159 10 30 DEEERN N#CCc1ccc(NC(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cc1 ZINC000548099971 424869340 /nfs/dbraw/zinc/86/93/40/424869340.db2.gz HZEXMPLARPQUMD-AWEZNQCLSA-N 0 0 311.345 2.971 10 30 DEEERN CCCCCCCCCN(C)C(=O)C1CC2(C1)NC(=O)NC2=O ZINC000155663950 424862292 /nfs/dbraw/zinc/86/22/92/424862292.db2.gz SEIFUJJAUKIYAN-UHFFFAOYSA-N 0 0 323.437 2.184 10 30 DEEERN C=CCNc1nnc(S[C@H]2CCN(C(C)(C)C)C2=O)s1 ZINC000424086259 424991760 /nfs/dbraw/zinc/99/17/60/424991760.db2.gz QGMUFWXKYAGGBB-VIFPVBQESA-N 0 0 312.464 2.628 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434758611 425027363 /nfs/dbraw/zinc/02/73/63/425027363.db2.gz QVTMUBZIUOQFEL-UHFFFAOYSA-N 0 0 317.389 2.645 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccn(CCC#N)n1 ZINC000596754348 425028808 /nfs/dbraw/zinc/02/88/08/425028808.db2.gz WCSWYIJOEQKPQF-KGLIPLIRSA-N 0 0 301.394 3.053 10 30 DEEERN COC(=O)CC1(NC(=O)Cc2cccc(C#N)c2)CCCCC1 ZINC000531154514 267358458 /nfs/dbraw/zinc/35/84/58/267358458.db2.gz IOHDMGXAMUUYMS-UHFFFAOYSA-N 0 0 314.385 2.483 10 30 DEEERN N#Cc1cccc(CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000530670399 268274887 /nfs/dbraw/zinc/27/48/87/268274887.db2.gz CYYKAKAZUOSICZ-UHFFFAOYSA-N 0 0 324.340 2.237 10 30 DEEERN N#Cc1cccc(CC(=O)NC[C@H](CCO)c2ccccc2)c1 ZINC000531280638 268275763 /nfs/dbraw/zinc/27/57/63/268275763.db2.gz TVWFWABLOALKNT-SFHVURJKSA-N 0 0 308.381 2.383 10 30 DEEERN Cc1ncc(S(=O)(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1C#N ZINC000314611404 268844323 /nfs/dbraw/zinc/84/43/23/268844323.db2.gz VKDUXONTWHTMHZ-STQMWFEESA-N 0 0 305.403 2.072 10 30 DEEERN N#Cc1ccc(CNS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)cc1F ZINC000333160619 268894332 /nfs/dbraw/zinc/89/43/32/268894332.db2.gz LVYIIAMFMIYVTQ-IFUGULHKSA-N 0 0 308.378 2.305 10 30 DEEERN N#C[C@H]1CN(C(=O)c2ccc3ncsc3c2)CCN1C1CC1 ZINC000370968092 274917459 /nfs/dbraw/zinc/91/74/59/274917459.db2.gz JXFUBWXWXJJREX-ZDUSSCGKSA-N 0 0 312.398 2.109 10 30 DEEERN C#C[C@H](CCC)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000491803772 275386780 /nfs/dbraw/zinc/38/67/80/275386780.db2.gz KEVVMBGUVQHZCU-HLLBOEOZSA-N 0 0 316.376 2.263 10 30 DEEERN CC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)nc2)c2ccccc21 ZINC000366900833 275773161 /nfs/dbraw/zinc/77/31/61/275773161.db2.gz FVQQNYZDCYMWRW-INIZCTEOSA-N 0 0 320.352 2.181 10 30 DEEERN C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000189222846 277574275 /nfs/dbraw/zinc/57/42/75/277574275.db2.gz RFEXZFPOUKBHBV-ZDUSSCGKSA-N 0 0 301.390 2.258 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000377963419 277669705 /nfs/dbraw/zinc/66/97/05/277669705.db2.gz DGKNQLACJMJPEU-GOSISDBHSA-N 0 0 306.409 2.313 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)[C@H](C)C1CC1 ZINC000290913648 277787128 /nfs/dbraw/zinc/78/71/28/277787128.db2.gz DSEAELFRKVMSET-OCCSQVGLSA-N 0 0 306.410 2.177 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000370105466 277833064 /nfs/dbraw/zinc/83/30/64/277833064.db2.gz OMPSNIDYAPKTJT-DLTWYDFYSA-N 0 0 311.422 2.153 10 30 DEEERN CC(C)[C@H](C#N)NC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 ZINC000362057758 277859162 /nfs/dbraw/zinc/85/91/62/277859162.db2.gz OTBHAHWVIIJADW-MAUKXSAKSA-N 0 0 313.401 2.346 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000408338643 303159215 /nfs/dbraw/zinc/15/92/15/303159215.db2.gz LTVFXJZUBCNUIM-VGWMRTNUSA-N 0 0 317.433 2.224 10 30 DEEERN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328854595 303511684 /nfs/dbraw/zinc/51/16/84/303511684.db2.gz WMJLKUGUMUXIMC-GCSSGZNBSA-N 0 0 320.433 2.405 10 30 DEEERN C=CCn1cc(CNC(=O)Nc2ccc(C3CCC3)cn2)nn1 ZINC000570510259 332766454 /nfs/dbraw/zinc/76/64/54/332766454.db2.gz CGZQFTWZIVOATL-UHFFFAOYSA-N 0 0 312.377 2.448 10 30 DEEERN C=CCOCCCC(=O)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000363416352 331902470 /nfs/dbraw/zinc/90/24/70/331902470.db2.gz ZZIATQXTEFTPRB-ZDUSSCGKSA-N 0 0 306.410 2.165 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000559011394 331965994 /nfs/dbraw/zinc/96/59/94/331965994.db2.gz SVGYMWCUERAPSN-RHSMWYFYSA-N 0 0 320.437 2.191 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000569598473 332191756 /nfs/dbraw/zinc/19/17/56/332191756.db2.gz DWMSZUHLZZNSIV-XHSDSOJGSA-N 0 0 308.422 2.036 10 30 DEEERN C=CCn1c(C2CCCC2)nnc1N(CCOC)[C@H]1CCOC1 ZINC000562906473 332639094 /nfs/dbraw/zinc/63/90/94/332639094.db2.gz RRTLCZAFJINOPU-HNNXBMFYSA-N 0 0 320.437 2.363 10 30 DEEERN CC(=O)NC(C)(C)c1noc(C2(c3ccc(C#N)cc3)CC2)n1 ZINC000188019103 333014040 /nfs/dbraw/zinc/01/40/40/333014040.db2.gz LONPXQIAJNYMLS-UHFFFAOYSA-N 0 0 310.357 2.392 10 30 DEEERN C=CC[C@H](CO)NC(=O)C(C)(C)c1ccc(OC)c(OC)c1 ZINC000185693777 333370822 /nfs/dbraw/zinc/37/08/22/333370822.db2.gz FFPVTXLXIIHNOL-CYBMUJFWSA-N 0 0 307.390 2.035 10 30 DEEERN C=CCCCCCNC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000563404589 333601356 /nfs/dbraw/zinc/60/13/56/333601356.db2.gz YNMIKCMATHOFEM-UHFFFAOYSA-N 0 0 318.373 2.008 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)c1cccn(C)c1=O ZINC000354194992 336462985 /nfs/dbraw/zinc/46/29/85/336462985.db2.gz JPUJRMUNEFPXAC-UHFFFAOYSA-N 0 0 300.333 2.353 10 30 DEEERN CCN(C[C@@H](C)OC)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000361045671 336734934 /nfs/dbraw/zinc/73/49/34/336734934.db2.gz SIGAECJCHFYZTD-MLGOLLRUSA-N 0 0 312.410 2.131 10 30 DEEERN N#CC1CCC(CNC(=O)NCc2cnc3n2CCCC3)CC1 ZINC000375106711 337003477 /nfs/dbraw/zinc/00/34/77/337003477.db2.gz UJSVIMQPTMFULI-UHFFFAOYSA-N 0 0 315.421 2.349 10 30 DEEERN C=CCCCCCNC(=O)N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000582794058 337170864 /nfs/dbraw/zinc/17/08/64/337170864.db2.gz AMLFRZHFOZTJAN-CQSZACIVSA-N 0 0 316.467 2.342 10 30 DEEERN C=CCOc1ccc(CC(=O)NC2(CC(=O)OC)CC2)cc1 ZINC000572165291 337594603 /nfs/dbraw/zinc/59/46/03/337594603.db2.gz QXUTUAOOSBHYHY-UHFFFAOYSA-N 0 0 303.358 2.006 10 30 DEEERN C=CCNc1nnc(SCc2nsc(N(C)C)n2)s1 ZINC000162018117 337603406 /nfs/dbraw/zinc/60/34/06/337603406.db2.gz BXCCYWZSWVAVON-UHFFFAOYSA-N 0 0 314.465 2.346 10 30 DEEERN C=CCN(CCc1ccco1)S(=O)(=O)C[C@H](OC)C1CC1 ZINC000516179105 338006086 /nfs/dbraw/zinc/00/60/86/338006086.db2.gz ZKIVWDNZBBECNF-HNNXBMFYSA-N 0 0 313.419 2.065 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000516863697 340457574 /nfs/dbraw/zinc/45/75/74/340457574.db2.gz MPOLUHMMXIHOST-BYNSBNAKSA-N 0 0 310.438 2.423 10 30 DEEERN C=CCCCCCNC(=O)N1CCC[C@H](CS(C)(=O)=O)C1 ZINC000565180527 340527923 /nfs/dbraw/zinc/52/79/23/340527923.db2.gz XRUBDXUTMRRWNZ-AWEZNQCLSA-N 0 0 316.467 2.199 10 30 DEEERN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)NCCCC#N)C1 ZINC000543180812 341035563 /nfs/dbraw/zinc/03/55/63/341035563.db2.gz CAEPOWHKNBHRGS-CYBMUJFWSA-N 0 0 309.410 2.444 10 30 DEEERN COc1cccc(-c2nc(C)c(C(=O)N[C@@H](C#N)C3CC3)[nH]2)c1 ZINC000132815183 341146226 /nfs/dbraw/zinc/14/62/26/341146226.db2.gz MOIGLHQGEYTNEH-AWEZNQCLSA-N 0 0 310.357 2.426 10 30 DEEERN C=CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000548951604 341282159 /nfs/dbraw/zinc/28/21/59/341282159.db2.gz YBDIUDDDPTWJHA-KBPBESRZSA-N 0 0 317.437 2.229 10 30 DEEERN C=CCn1c(C(C)C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC000548962998 341282427 /nfs/dbraw/zinc/28/24/27/341282427.db2.gz ZPRDLCBQZWKVON-CYBMUJFWSA-N 0 0 300.410 2.315 10 30 DEEERN N#CC1(c2ccccn2)CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000554522488 341456410 /nfs/dbraw/zinc/45/64/10/341456410.db2.gz JIQSDUJMBUZBDX-UHFFFAOYSA-N 0 0 309.329 2.447 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000566674765 341564861 /nfs/dbraw/zinc/56/48/61/341564861.db2.gz KXJOGBCAYMAMMY-VGWMRTNUSA-N 0 0 308.422 2.036 10 30 DEEERN C=CCC1(C(=O)N(C)Cc2noc(C3CC3)n2)CCOCC1 ZINC000566910563 341571473 /nfs/dbraw/zinc/57/14/73/341571473.db2.gz RKDCVZVOPUXTIX-UHFFFAOYSA-N 0 0 305.378 2.278 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c(F)cccc1-n1cccn1 ZINC000567162478 341583510 /nfs/dbraw/zinc/58/35/10/341583510.db2.gz RNTZXJPHTLENKW-WFASDCNBSA-N 0 0 315.348 2.332 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1nc(C)c(C)s1 ZINC000568252260 341661189 /nfs/dbraw/zinc/66/11/89/341661189.db2.gz MKTNYPLMPJQDQC-UHFFFAOYSA-N 0 0 309.435 2.239 10 30 DEEERN C=CCC[C@@H](NC(=O)[C@H]1CCc2cccc(O)c21)C(=O)OCC ZINC000574771679 341768519 /nfs/dbraw/zinc/76/85/19/341768519.db2.gz FRFMXRMDLVFUOH-UONOGXRCSA-N 0 0 317.385 2.436 10 30 DEEERN C=CCn1c(CC)nnc1N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000574772336 341768571 /nfs/dbraw/zinc/76/85/71/341768571.db2.gz GVEPRDUKGHNRFL-GFCCVEGCSA-N 0 0 306.410 2.195 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000574871475 341771443 /nfs/dbraw/zinc/77/14/43/341771443.db2.gz JQJOPHFOXDVOTH-SZOQZIPDSA-N 0 0 310.438 2.423 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000575881511 341812624 /nfs/dbraw/zinc/81/26/24/341812624.db2.gz UDKISKJHOIFTSB-INIZCTEOSA-N 0 0 322.449 2.267 10 30 DEEERN C=CCC1(C(=O)NCCCOCC(F)(F)F)CCOCC1 ZINC000576576828 341853186 /nfs/dbraw/zinc/85/31/86/341853186.db2.gz JXKRDEVUHCIJGY-UHFFFAOYSA-N 0 0 309.328 2.445 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2c(cccc2OC)C1 ZINC000576698979 341859031 /nfs/dbraw/zinc/85/90/31/341859031.db2.gz TTWHMBKORRFPPY-BBRMVZONSA-N 0 0 316.401 2.354 10 30 DEEERN C=CCCCCCNC(=O)N1CCCC[C@H]1CS(C)(=O)=O ZINC000577623256 341924686 /nfs/dbraw/zinc/92/46/86/341924686.db2.gz JPMZCZACXXDGMO-AWEZNQCLSA-N 0 0 316.467 2.342 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccc2c(c1)CCN2 ZINC000577768692 341935965 /nfs/dbraw/zinc/93/59/65/341935965.db2.gz LVTGXYMZUFGOKJ-UHFFFAOYSA-N 0 0 301.390 2.456 10 30 DEEERN C=CC(C)(C)CNC(=O)NCCCc1nnc2ccccn21 ZINC000458509476 534508935 /nfs/dbraw/zinc/50/89/35/534508935.db2.gz PKZMPKGJDZMEKV-UHFFFAOYSA-N 0 0 301.394 2.173 10 30 DEEERN CC(=O)N(C)c1ccc(C(=O)NCC#Cc2ccccc2)cc1 ZINC000493255069 534740432 /nfs/dbraw/zinc/74/04/32/534740432.db2.gz LOTRYKYKBFZHMV-UHFFFAOYSA-N 0 0 306.365 2.451 10 30 DEEERN Cc1nn(C)cc1CC(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000448943642 534832515 /nfs/dbraw/zinc/83/25/15/534832515.db2.gz AAPLUWXPMSTLEJ-SFHVURJKSA-N 0 0 310.401 2.302 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CSC(=O)N1 ZINC000155252440 526338814 /nfs/dbraw/zinc/33/88/14/526338814.db2.gz LKESYJGVEFQLRG-CYBMUJFWSA-N 0 0 306.387 2.035 10 30 DEEERN CC#CCNC(=O)[C@H]1CCCCN1C(=O)c1cc(C)cc(C)c1 ZINC000378409170 526381357 /nfs/dbraw/zinc/38/13/57/526381357.db2.gz YSENFGKLTQRWIH-QGZVFWFLSA-N 0 0 312.413 2.438 10 30 DEEERN CC(=O)N(C)c1cccc(NC(=O)N2CCC(C#N)CC2)c1 ZINC000408259376 526479529 /nfs/dbraw/zinc/47/95/29/526479529.db2.gz KJXQTVQHDIODBR-UHFFFAOYSA-N 0 0 300.362 2.437 10 30 DEEERN CC(=O)N(C)c1cccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000425657834 526481686 /nfs/dbraw/zinc/48/16/86/526481686.db2.gz VQARZAVKMTUACN-GXTWGEPZSA-N 0 0 300.362 2.483 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)C/C=C/c2ccc(F)cc2)C1=O ZINC000341602439 526491101 /nfs/dbraw/zinc/49/11/01/526491101.db2.gz CFURJOAVMCGKRM-APHBUQMISA-N 0 0 316.376 2.474 10 30 DEEERN C=CCN1CC[C@H](N(C)Cc2nc3cc(F)ccc3o2)C1=O ZINC000337228051 526502300 /nfs/dbraw/zinc/50/23/00/526502300.db2.gz QRNCJTRCFAUOCJ-ZDUSSCGKSA-N 0 0 303.337 2.186 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000341415847 526513665 /nfs/dbraw/zinc/51/36/65/526513665.db2.gz BIWXEPZOIRTBJR-OAHLLOKOSA-N 0 0 301.390 2.074 10 30 DEEERN C=CCN1CC[C@H](N[C@H](c2nccs2)C(F)(F)F)C1=O ZINC000292942929 526516197 /nfs/dbraw/zinc/51/61/97/526516197.db2.gz JZOLZNAGOLELPK-DTWKUNHWSA-N 0 0 305.325 2.123 10 30 DEEERN C=CCNC(=O)CN(C)Cc1ccc(Br)cc1C ZINC000444698013 526525548 /nfs/dbraw/zinc/52/55/48/526525548.db2.gz LMPGYRAXTHIARW-UHFFFAOYSA-N 0 0 311.223 2.492 10 30 DEEERN C=C(C)CN(CC)C(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC000417464669 526533921 /nfs/dbraw/zinc/53/39/21/526533921.db2.gz RAOYGVABUOTHST-OAHLLOKOSA-N 0 0 303.362 2.341 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCCOCC2)cc1 ZINC000377266249 526651502 /nfs/dbraw/zinc/65/15/02/526651502.db2.gz JLJHITXLIKVIHE-ZDUSSCGKSA-N 0 0 302.374 2.358 10 30 DEEERN C=CCNC(=O)c1ccc(N[C@H](C)C(=O)OC(C)(C)C)nc1 ZINC000418903368 526655657 /nfs/dbraw/zinc/65/56/57/526655657.db2.gz RGACGKIGWHHXAU-LLVKDONJSA-N 0 0 305.378 2.140 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000377060523 526671526 /nfs/dbraw/zinc/67/15/26/526671526.db2.gz GQSLPYLVEHLICA-HXUWFJFHSA-N 0 0 307.393 2.350 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H]1CCN(C(C)=O)c2ccccc21 ZINC000376960893 526674624 /nfs/dbraw/zinc/67/46/24/526674624.db2.gz MWBHCFUYLCMNIX-KRWDZBQOSA-N 0 0 308.381 2.263 10 30 DEEERN C=C(C)CS(=O)(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000248812791 526680332 /nfs/dbraw/zinc/68/03/32/526680332.db2.gz CKOGJCHFEIKKRP-YPMHNXCESA-N 0 0 301.433 2.416 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000248721433 526707221 /nfs/dbraw/zinc/70/72/21/526707221.db2.gz MAXMATBZZZUHMK-RRFJBIMHSA-N 0 0 305.422 2.294 10 30 DEEERN C=C(C)Cn1c(-c2ccccn2)nnc1N1CCOC[C@@H](C)C1 ZINC000358959241 526717315 /nfs/dbraw/zinc/71/73/15/526717315.db2.gz QRFYCDBOJCFQQQ-AWEZNQCLSA-N 0 0 313.405 2.389 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CCC[C@H](NC(=O)CCC)C1 ZINC000338860907 526723933 /nfs/dbraw/zinc/72/39/33/526723933.db2.gz PIWZAGYLTFUCJG-AWEZNQCLSA-N 0 0 305.426 2.048 10 30 DEEERN C#CCCNC(=O)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000369287148 526732726 /nfs/dbraw/zinc/73/27/26/526732726.db2.gz FIOQKRYOKMKDAW-AWEZNQCLSA-N 0 0 300.358 2.328 10 30 DEEERN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC000338859262 526734040 /nfs/dbraw/zinc/73/40/40/526734040.db2.gz JLUSNSWDUDAEHU-DZGCQCFKSA-N 0 0 319.453 2.473 10 30 DEEERN C#CCCNC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000369287766 526734249 /nfs/dbraw/zinc/73/42/49/526734249.db2.gz KKUZGJPLYXTOOR-CYBMUJFWSA-N 0 0 305.809 2.489 10 30 DEEERN C#CCCNC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000369427728 526735641 /nfs/dbraw/zinc/73/56/41/526735641.db2.gz RUEMXSRFKSCBAE-GFCCVEGCSA-N 0 0 323.343 2.189 10 30 DEEERN C=C(C)[C@@H](CC(=O)NC[C@H]1COc2ccccc2O1)OCC ZINC000339433576 526748554 /nfs/dbraw/zinc/74/85/54/526748554.db2.gz NASYGVFLVNSXKE-XJKSGUPXSA-N 0 0 305.374 2.314 10 30 DEEERN C=CCOCCNC(=O)CCc1nc(-c2ccsc2)no1 ZINC000370357010 526774771 /nfs/dbraw/zinc/77/47/71/526774771.db2.gz HAOMNFFCFUODHG-UHFFFAOYSA-N 0 0 307.375 2.050 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000334089676 526777996 /nfs/dbraw/zinc/77/79/96/526777996.db2.gz XIMZFORLKBWOGY-MQYQWHSLSA-N 0 0 309.410 2.361 10 30 DEEERN C#CCN(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)CC ZINC000191018978 526797261 /nfs/dbraw/zinc/79/72/61/526797261.db2.gz KSAVXTRPUCCVGA-HOCLYGCPSA-N 0 0 316.401 2.419 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)NCC1(CCO)CC1 ZINC000188056664 526826907 /nfs/dbraw/zinc/82/69/07/526826907.db2.gz OKEXYVDZWSGIQG-UHFFFAOYSA-N 0 0 305.374 2.152 10 30 DEEERN C=C(Cl)CNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000374276576 526889287 /nfs/dbraw/zinc/88/92/87/526889287.db2.gz CECSHOFLILRJQK-TZMCWYRMSA-N 0 0 321.808 2.228 10 30 DEEERN C=C(Cl)CNC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000369488470 526890799 /nfs/dbraw/zinc/89/07/99/526890799.db2.gz SIKLKMBXHMXKAR-JTQLQIEISA-N 0 0 314.719 2.186 10 30 DEEERN CC(C)(C)n1cc(C(=O)C(=O)NCC2CCC(C#N)CC2)cn1 ZINC000441140479 526912378 /nfs/dbraw/zinc/91/23/78/526912378.db2.gz BFVITRUIDJCVED-UHFFFAOYSA-N 0 0 316.405 2.267 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N1CC[C@@]12CCOC2 ZINC000422162630 526939218 /nfs/dbraw/zinc/93/92/18/526939218.db2.gz LNYRVQAODCVMPN-KRWDZBQOSA-N 0 0 302.374 2.326 10 30 DEEERN C=CC1CCN(C(=O)C(=O)Nc2cccc3c2OCCC3)CC1 ZINC000372004012 526960703 /nfs/dbraw/zinc/96/07/03/526960703.db2.gz LZYYDERXZUDBGC-UHFFFAOYSA-N 0 0 314.385 2.375 10 30 DEEERN C=CCOc1cccnc1C(=O)NCc1cccnc1N(C)C ZINC000341350888 526964622 /nfs/dbraw/zinc/96/46/22/526964622.db2.gz DQPCUOBGYPANFO-UHFFFAOYSA-N 0 0 312.373 2.037 10 30 DEEERN C=CCSCCNC(=O)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000352456807 526993688 /nfs/dbraw/zinc/99/36/88/526993688.db2.gz AYOBJGJURZUJEH-LBPRGKRZSA-N 0 0 323.466 2.284 10 30 DEEERN C=CCSCCNC(=O)N[C@@H]1COc2ccc(F)cc2C1 ZINC000341308946 526995608 /nfs/dbraw/zinc/99/56/08/526995608.db2.gz LQZGTWAGEYIKHO-ZDUSSCGKSA-N 0 0 310.394 2.348 10 30 DEEERN C=CC[C@@H](CO)NC(=O)COc1ccc(/C=C\C)cc1OC ZINC000337085724 527088603 /nfs/dbraw/zinc/08/86/03/527088603.db2.gz ZRQXEOIARTVBMY-SDQPKGBYSA-N 0 0 305.374 2.160 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000183659126 527093470 /nfs/dbraw/zinc/09/34/70/527093470.db2.gz SCJGHSAXHXWPTI-YPMHNXCESA-N 0 0 307.350 2.200 10 30 DEEERN C#CCOc1ccc(C(=O)NC2(CC(=O)OC)CCCC2)cc1 ZINC000193886963 527098160 /nfs/dbraw/zinc/09/81/60/527098160.db2.gz WQBSRNQMCGMTST-UHFFFAOYSA-N 0 0 315.369 2.304 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@]1(COC)CCOC1 ZINC000413992839 527111343 /nfs/dbraw/zinc/11/13/43/527111343.db2.gz YPLBJCOBZWPMIR-FUHWJXTLSA-N 0 0 303.402 2.343 10 30 DEEERN C=CC[C@H](CC)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000374156696 527160874 /nfs/dbraw/zinc/16/08/74/527160874.db2.gz DBSNCZLGYSOGFE-DZGCQCFKSA-N 0 0 316.401 2.468 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCc1nccnc1C ZINC000296618792 527161125 /nfs/dbraw/zinc/16/11/25/527161125.db2.gz MOFDUXTXRRSSLE-KRWDZBQOSA-N 0 0 322.412 2.261 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C)nc(NC)n1 ZINC000287444401 527162277 /nfs/dbraw/zinc/16/22/77/527162277.db2.gz RGPLYPWCZLNKHO-HNNXBMFYSA-N 0 0 308.385 2.191 10 30 DEEERN C=CC[C@H](CO)CNC(=O)CO[C@H]1CCCc2ccccc21 ZINC000435795509 527168547 /nfs/dbraw/zinc/16/85/47/527168547.db2.gz DOLDIBYAAKTQSO-YOEHRIQHSA-N 0 0 303.402 2.381 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CCc1cnccn1 ZINC000287387098 527171138 /nfs/dbraw/zinc/17/11/38/527171138.db2.gz NETMPXYBSKYPKI-QGZVFWFLSA-N 0 0 322.412 2.295 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC(OC)CC1 ZINC000285335482 527172746 /nfs/dbraw/zinc/17/27/46/527172746.db2.gz OFWVQSCMGJENKZ-MRXNPFEDSA-N 0 0 300.402 2.441 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](C)C[C@@H](C)O ZINC000288299368 527172980 /nfs/dbraw/zinc/17/29/80/527172980.db2.gz WHAPCTHXQNVFGJ-ZMSDIMECSA-N 0 0 302.418 2.327 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@]1(CCC)COC ZINC000410954982 527174469 /nfs/dbraw/zinc/17/44/69/527174469.db2.gz PITPKWLYBRHKNT-QGZVFWFLSA-N 0 0 310.438 2.219 10 30 DEEERN C#CC[C@H](NC(=O)C[C@@H]1CCOC[C@H]1OC)c1ccccc1 ZINC000296625771 527174749 /nfs/dbraw/zinc/17/47/49/527174749.db2.gz VIGCDYVPAURVIF-YESZJQIVSA-N 0 0 301.386 2.309 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1Cc2ccccc2C[C@@H]1C ZINC000410744383 527175233 /nfs/dbraw/zinc/17/52/33/527175233.db2.gz FJHQZGNVJJPDIT-AWEZNQCLSA-N 0 0 300.402 2.384 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCc2cccc(F)c2C1 ZINC000297801956 527175522 /nfs/dbraw/zinc/17/55/22/527175522.db2.gz NKCZJYGLZSWONZ-UHFFFAOYSA-N 0 0 304.365 2.135 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCCOc1ccc(F)cc1 ZINC000285656944 527175984 /nfs/dbraw/zinc/17/59/84/527175984.db2.gz IKFLGSYHGKAINC-UHFFFAOYSA-N 0 0 322.380 2.135 10 30 DEEERN C#CCn1cc(CN(C)c2cc(Cl)nc(C3CC3)n2)cn1 ZINC000301909289 527176676 /nfs/dbraw/zinc/17/66/76/527176676.db2.gz AWUKSTPPAOJUQK-UHFFFAOYSA-N 0 0 301.781 2.474 10 30 DEEERN C=CC[C@H](CO)CNC(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000341774204 527178160 /nfs/dbraw/zinc/17/81/60/527178160.db2.gz QOECHJSZTIFYMP-LBPRGKRZSA-N 0 0 316.361 2.351 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCCCOc1ccc(C)cc1 ZINC000182970401 527195246 /nfs/dbraw/zinc/19/52/46/527195246.db2.gz QGKQSVCCEGVTBH-OAHLLOKOSA-N 0 0 306.406 2.390 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000376351349 527198308 /nfs/dbraw/zinc/19/83/08/527198308.db2.gz KJGQZMKEFNNWBG-SJORKVTESA-N 0 0 318.417 2.391 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1nccn1-c1ccccc1 ZINC000348008354 527198346 /nfs/dbraw/zinc/19/83/46/527198346.db2.gz JZKWMCRUDPZNIA-UONOGXRCSA-N 0 0 314.389 2.170 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000248643695 527201165 /nfs/dbraw/zinc/20/11/65/527201165.db2.gz RVAHEHJUXKXXKG-ILXRZTDVSA-N 0 0 310.438 2.351 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000188104559 527207120 /nfs/dbraw/zinc/20/71/20/527207120.db2.gz MXLGZUTVOXWOPA-MRVPVSSYSA-N 0 0 311.794 2.458 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cc(-c2ccsc2)nn1C ZINC000448372177 527209000 /nfs/dbraw/zinc/20/90/00/527209000.db2.gz BEHXZJOCYHOYEI-UHFFFAOYSA-N 0 0 318.402 2.170 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cn(-c2ccccc2)nc1C ZINC000448374484 527211081 /nfs/dbraw/zinc/21/10/81/527211081.db2.gz LCAHZXLWLUNTEO-UHFFFAOYSA-N 0 0 312.373 2.202 10 30 DEEERN C=CC[C@H](CO)Nc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000182663012 527212268 /nfs/dbraw/zinc/21/22/68/527212268.db2.gz NKOMZQBXHVQZPF-XYLWRLHESA-N 0 0 306.318 2.130 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)NCCc1nc(C)no1 ZINC000413223583 527217601 /nfs/dbraw/zinc/21/76/01/527217601.db2.gz XBKIEWMRUCOGMZ-OAHLLOKOSA-N 0 0 314.389 2.407 10 30 DEEERN C#C[C@@H](C)NC(=O)[C@]1(CC=C)CCCN1C(=O)OC(C)(C)C ZINC000190383390 527226033 /nfs/dbraw/zinc/22/60/33/527226033.db2.gz DGUBHWRZEBBZOV-DYVFJYSZSA-N 0 0 306.406 2.470 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N1CC[C@@](C)(C(=O)OC)C1 ZINC000337855723 527280859 /nfs/dbraw/zinc/28/08/59/527280859.db2.gz LGQOZCAIHPOEFY-MRXNPFEDSA-N 0 0 316.361 2.114 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCNC[C@H]1c1cccnc1 ZINC000417992312 527287048 /nfs/dbraw/zinc/28/70/48/527287048.db2.gz WMQAHESECDHJBX-HOCLYGCPSA-N 0 0 302.422 2.482 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N(C)C[C@@H]1CCOC1 ZINC000337821716 527320326 /nfs/dbraw/zinc/32/03/26/527320326.db2.gz SEHZCDFRMYJDRW-AWEZNQCLSA-N 0 0 316.405 2.315 10 30 DEEERN C=CCn1c(SCC(=O)Nc2ccncc2)nnc1C1CC1 ZINC000119890864 527337236 /nfs/dbraw/zinc/33/72/36/527337236.db2.gz RCSXLWWINPUXBR-UHFFFAOYSA-N 0 0 315.402 2.467 10 30 DEEERN CC(=O)c1cccc(S(=O)(=O)NCC2CCC(C#N)CC2)c1 ZINC000443227913 527388809 /nfs/dbraw/zinc/38/88/09/527388809.db2.gz QMRYKACSVGDMNY-UHFFFAOYSA-N 0 0 320.414 2.497 10 30 DEEERN C#Cc1ccccc1CC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000292673698 527462189 /nfs/dbraw/zinc/46/21/89/527462189.db2.gz BEQZTKRLNIHNHZ-LZLYRXPVSA-N 0 0 311.381 2.011 10 30 DEEERN C=CCN(CC=C)C(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000253491826 527618765 /nfs/dbraw/zinc/61/87/65/527618765.db2.gz NWVWMDGKIVDUAH-QGZVFWFLSA-N 0 0 316.401 2.463 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCC[C@H](C)O ZINC000447610014 527745816 /nfs/dbraw/zinc/74/58/16/527745816.db2.gz OSHXIOGDCYRPAY-BBRMVZONSA-N 0 0 304.390 2.239 10 30 DEEERN CC1(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)COC1 ZINC000329460461 527901685 /nfs/dbraw/zinc/90/16/85/527901685.db2.gz SBTZEGSSTSIRNL-ZIAGYGMSSA-N 0 0 308.422 2.408 10 30 DEEERN CCN(CCC#N)C(=O)CN1CCC[C@H](c2nc(C)cs2)C1 ZINC000195337448 528359445 /nfs/dbraw/zinc/35/94/45/528359445.db2.gz CFKDADYDFCIDTF-AWEZNQCLSA-N 0 0 320.462 2.393 10 30 DEEERN CCOC(C)(C)CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000188635504 528431602 /nfs/dbraw/zinc/43/16/02/528431602.db2.gz OEHMVNBKLLGCLX-UHFFFAOYSA-N 0 0 316.810 2.305 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC1(CCO)CC1 ZINC000187969276 528637848 /nfs/dbraw/zinc/63/78/48/528637848.db2.gz TVBZEFKHLCEBBB-MRXNPFEDSA-N 0 0 316.401 2.240 10 30 DEEERN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H](c2nccs2)C1 ZINC000195355365 528849475 /nfs/dbraw/zinc/84/94/75/528849475.db2.gz KCNNYQBAXHJXDM-XJKSGUPXSA-N 0 0 320.462 2.377 10 30 DEEERN CC(C)[C@H](NCC#Cc1ccccc1)c1nc(-c2nc[nH]n2)no1 ZINC000192184525 529119293 /nfs/dbraw/zinc/11/92/93/529119293.db2.gz GIFJPGCMEZIFOF-AWEZNQCLSA-N 0 0 322.372 2.193 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@@H]1CCC[C@@H]1C(=O)N[C@H](CC)CC#N ZINC000248395828 529298824 /nfs/dbraw/zinc/29/88/24/529298824.db2.gz JORZGUAEMJQXEE-TUVASFSCSA-N 0 0 318.421 2.020 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(C#N)c(F)c1 ZINC000248904499 536552225 /nfs/dbraw/zinc/55/22/25/536552225.db2.gz WEAUVSKAINTZST-LZWOXQAQSA-N 0 0 302.349 2.471 10 30 DEEERN COC[C@](C)(NC(=O)COc1ccc(C#N)cc1)C(F)(F)F ZINC000362203029 536633452 /nfs/dbraw/zinc/63/34/52/536633452.db2.gz JBWMAYSOFBOLCY-ZDUSSCGKSA-N 0 0 316.279 2.021 10 30 DEEERN CCOC[C@H](C)OC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000190786590 625487988 /nfs/dbraw/zinc/48/79/88/625487988.db2.gz YVLDJTQIZWTASC-LBPRGKRZSA-N 0 0 307.394 2.314 10 30 DEEERN C#CCCS(=O)(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000288788790 625490834 /nfs/dbraw/zinc/49/08/34/625490834.db2.gz HPZVQIFJUZYAKM-AWEZNQCLSA-N 0 0 313.806 2.066 10 30 DEEERN CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ccnn2C)cc1 ZINC000123616726 625583771 /nfs/dbraw/zinc/58/37/71/625583771.db2.gz WWACLIJTIWNLCL-INIZCTEOSA-N 0 0 324.384 2.263 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)Nc1ncnc(-n2cccn2)c1N ZINC000804808755 623250925 /nfs/dbraw/zinc/25/09/25/623250925.db2.gz XWOUJPUHUGOPCY-HNNXBMFYSA-N 0 0 318.384 2.291 10 30 DEEERN C#CCNC(=O)c1ccc(N[C@H](CC#C)Cc2ccccc2)nc1 ZINC000804807636 623251016 /nfs/dbraw/zinc/25/10/16/623251016.db2.gz JGMWWMDRFKDXSU-GOSISDBHSA-N 0 0 317.392 2.491 10 30 DEEERN Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@H](C#N)C1CC1)C(C)C ZINC000161922687 625249541 /nfs/dbraw/zinc/24/95/41/625249541.db2.gz MXXPVYAYKJDEIE-HZPDHXFCSA-N 0 0 313.401 2.168 10 30 DEEERN C=C(COC(=O)Cc1cc2ccccc2[nH]c1=O)C(=O)OCC ZINC000734027015 633312939 /nfs/dbraw/zinc/31/29/39/633312939.db2.gz NQYXKAFZYATGNF-UHFFFAOYSA-N 0 0 315.325 2.145 10 30 DEEERN C=C(COC(=O)Cc1ccc(OC(F)F)cc1)C(=O)OCC ZINC000734026898 633313050 /nfs/dbraw/zinc/31/30/50/633313050.db2.gz DIFZEEHGHPMHQL-UHFFFAOYSA-N 0 0 314.284 2.493 10 30 DEEERN C=CC[C@@H](NC(=O)[C@H](C)NC(=O)c1ccco1)c1ccncc1 ZINC000734237784 633348718 /nfs/dbraw/zinc/34/87/18/633348718.db2.gz UPDPEVRLLLOSKI-GXTWGEPZSA-N 0 0 313.357 2.227 10 30 DEEERN C=CC[C@H](NS(=O)(=O)N1CCC[C@@H](C)C1)c1ccncc1 ZINC000734500763 633380285 /nfs/dbraw/zinc/38/02/85/633380285.db2.gz GAVPBFYIXYKQCJ-HIFRSBDPSA-N 0 0 309.435 2.265 10 30 DEEERN C=CC[C@H](NC(=O)N(C)CC(=O)NC(C)(C)C)c1ccncc1 ZINC000734683769 633415300 /nfs/dbraw/zinc/41/53/00/633415300.db2.gz QDJCOXTWRQMKTM-AWEZNQCLSA-N 0 0 318.421 2.255 10 30 DEEERN N#CCOc1ccc(Cl)cc1Cn1cccc([N+](=O)[O-])c1=O ZINC000735233259 633488443 /nfs/dbraw/zinc/48/84/43/633488443.db2.gz ODVXVFDTNZXVCU-UHFFFAOYSA-N 0 0 319.704 2.361 10 30 DEEERN N#CCOc1ccc(Cl)cc1CN1CCC[C@H](OCCO)C1 ZINC000735311142 633500825 /nfs/dbraw/zinc/50/08/25/633500825.db2.gz LDZOCQQZIQDRRR-HNNXBMFYSA-N 0 0 324.808 2.216 10 30 DEEERN N#C[C@H](C(=O)CCCOc1cccc(F)c1)C(=O)N1CCCC1 ZINC000125278678 633518942 /nfs/dbraw/zinc/51/89/42/633518942.db2.gz LHGDKMWBOHHKKR-OAHLLOKOSA-N 0 0 318.348 2.316 10 30 DEEERN C=CCNC(=S)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000737452928 637320480 /nfs/dbraw/zinc/32/04/80/637320480.db2.gz POVMVLYBJHIIHJ-UHFFFAOYSA-N 0 0 309.504 2.489 10 30 DEEERN C=C(Br)CNC(=O)CCc1nc(C(C)(C)C)no1 ZINC000049280600 637534906 /nfs/dbraw/zinc/53/49/06/637534906.db2.gz NGTWARCVGLQEFI-UHFFFAOYSA-N 0 0 316.199 2.325 10 30 DEEERN C#CCCOC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000727042475 637596705 /nfs/dbraw/zinc/59/67/05/637596705.db2.gz FAPBFJNGBQMZES-OAHLLOKOSA-N 0 0 317.360 2.173 10 30 DEEERN C=CCOc1ccc(C(=O)O[C@@H](C)CCS(C)(=O)=O)cc1 ZINC000185701396 637622942 /nfs/dbraw/zinc/62/29/42/637622942.db2.gz YZCZYQIKNIDLPB-LBPRGKRZSA-N 0 0 312.387 2.231 10 30 DEEERN COCCn1cc(C=NNCc2cccc3cccnc32)cn1 ZINC000743438466 638146488 /nfs/dbraw/zinc/14/64/88/638146488.db2.gz UDSNYCZBSFKNTC-UHFFFAOYSA-N 0 0 309.373 2.201 10 30 DEEERN C=CC(=O)Nc1ccc(C(=O)OCc2ccnc(C#N)c2)cc1 ZINC000747029703 638400618 /nfs/dbraw/zinc/40/06/18/638400618.db2.gz MBUWAPZJFPFMBA-UHFFFAOYSA-N 0 0 307.309 2.435 10 30 DEEERN COc1ccc(CNC(=O)N(C)Cc2ccccn2)cc1C#N ZINC000747423720 638436203 /nfs/dbraw/zinc/43/62/03/638436203.db2.gz VNQSSBLIIRQSCS-UHFFFAOYSA-N 0 0 310.357 2.303 10 30 DEEERN C=CCCCC(=O)OCC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000748235443 638533452 /nfs/dbraw/zinc/53/34/52/638533452.db2.gz NYWXFTXQHUUKPE-LLVKDONJSA-N 0 0 317.341 2.488 10 30 DEEERN COC(=O)CCCCCCNC(=O)Cc1cccc(C#N)c1 ZINC000749317521 638634148 /nfs/dbraw/zinc/63/41/48/638634148.db2.gz VRTCEKKVAYOSQE-UHFFFAOYSA-N 0 0 302.374 2.340 10 30 DEEERN N#Cc1cccc(CC(=O)NCCN2CCc3ccccc32)c1 ZINC000749529155 638657620 /nfs/dbraw/zinc/65/76/20/638657620.db2.gz CPLLHAVDZWDTRN-UHFFFAOYSA-N 0 0 305.381 2.280 10 30 DEEERN C[C@H](OC(=O)Cc1cccc(C#N)c1)C(=O)N1CCC(C)CC1 ZINC000750431002 638744062 /nfs/dbraw/zinc/74/40/62/638744062.db2.gz UVJJTMTYDHOKPW-AWEZNQCLSA-N 0 0 314.385 2.291 10 30 DEEERN N#Cc1ccc(COC(=O)c2ccccc2-n2ccnn2)cc1 ZINC000752307574 639171737 /nfs/dbraw/zinc/17/17/37/639171737.db2.gz WSYGNJCRFCMMHS-UHFFFAOYSA-N 0 0 304.309 2.496 10 30 DEEERN C#CCN(CC#C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000752302358 639171786 /nfs/dbraw/zinc/17/17/86/639171786.db2.gz ITIWFIOBUPWDAF-ZDUSSCGKSA-N 0 0 307.378 2.041 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)NCC1(C)OCCCO1 ZINC000752834118 639226692 /nfs/dbraw/zinc/22/66/92/639226692.db2.gz OTXGWXVWZXNJCY-UHFFFAOYSA-N 0 0 322.336 2.112 10 30 DEEERN C#CCCCS(=O)(=O)N(CCc1nccs1)C(C)C ZINC000805047326 639330253 /nfs/dbraw/zinc/33/02/53/639330253.db2.gz VRXABDJZKRSYLO-UHFFFAOYSA-N 0 0 300.449 2.139 10 30 DEEERN C#Cc1ccc(C(=O)N2CCN(c3cccc(F)c3)CC2)nc1 ZINC000728812981 639435465 /nfs/dbraw/zinc/43/54/65/639435465.db2.gz ROARYDXHCFSEFU-UHFFFAOYSA-N 0 0 309.344 2.164 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccc(C(=O)OCC)cc1)C(C)(C)C ZINC000805147537 639842935 /nfs/dbraw/zinc/84/29/35/639842935.db2.gz ZHLYTWYWEPYFKI-AWEZNQCLSA-N 0 0 323.414 2.190 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1cc(F)c(F)cc1F)C(C)(C)C ZINC000805148404 639848191 /nfs/dbraw/zinc/84/81/91/639848191.db2.gz ASFBYPJWDXDFGC-GFCCVEGCSA-N 0 0 305.321 2.430 10 30 DEEERN CN1C(=O)C[C@@H](C(=O)OCCCC#N)[C@@H]1c1ccc(F)cc1 ZINC000179151713 640482219 /nfs/dbraw/zinc/48/22/19/640482219.db2.gz ANCQVWFVUHFVFG-HIFRSBDPSA-N 0 0 304.321 2.192 10 30 DEEERN C=CCNC(=O)[C@@H](C)OC(=O)CSCc1cccc(C)c1 ZINC000729382289 640495333 /nfs/dbraw/zinc/49/53/33/640495333.db2.gz VTZZUWZGLSREAS-CYBMUJFWSA-N 0 0 307.415 2.462 10 30 DEEERN C=CCOCC(=O)OCC(=O)c1ccccc1Br ZINC000729765411 640840110 /nfs/dbraw/zinc/84/01/10/640840110.db2.gz IVTVKBMIEIPSNQ-UHFFFAOYSA-N 0 0 313.147 2.378 10 30 DEEERN C#CCN1CCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000729812429 640842463 /nfs/dbraw/zinc/84/24/63/640842463.db2.gz VJJBZULEPBSGRG-AWEZNQCLSA-N 0 0 302.330 2.158 10 30 DEEERN C=CCc1cc(C(=O)N[C@H](C)C(C)(C)O)cc(OC)c1OC ZINC000746338110 642888949 /nfs/dbraw/zinc/88/89/49/642888949.db2.gz WMLBELORGLNFDC-LLVKDONJSA-N 0 0 307.390 2.322 10 30 DEEERN Cc1nc2c(nccc2C(=O)N(C)Cc2cccc(C#N)c2)[nH]1 ZINC000436084090 643034493 /nfs/dbraw/zinc/03/44/93/643034493.db2.gz QTNJCFRIYAKIBU-UHFFFAOYSA-N 0 0 305.341 2.410 10 30 DEEERN COC(=O)c1ccoc1C(=O)OCc1cc(C#N)ccc1F ZINC000800266262 645248492 /nfs/dbraw/zinc/24/84/92/645248492.db2.gz LLZZGQOBGXAPTH-UHFFFAOYSA-N 0 0 303.245 2.434 10 30 DEEERN C#CC[C@H](NC(=O)N1CCO[C@H](C(F)F)C1)c1ccccc1 ZINC000801045818 645334843 /nfs/dbraw/zinc/33/48/43/645334843.db2.gz JEPPBFISSPEMRQ-KBPBESRZSA-N 0 0 308.328 2.427 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)Nc1nnc(OC)s1 ZINC000801747330 645437452 /nfs/dbraw/zinc/43/74/52/645437452.db2.gz NQDRCQASCZYGSN-UHFFFAOYSA-N 0 0 322.321 2.342 10 30 DEEERN C#CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CCCC1 ZINC000801920926 645463066 /nfs/dbraw/zinc/46/30/66/645463066.db2.gz UVGBVTKQCIFBNU-UHFFFAOYSA-N 0 0 305.309 2.334 10 30 DEEERN C=CCOc1ccc(C(=O)O[C@@H]2CCN(CCF)C2)cc1OC ZINC000802231851 645502834 /nfs/dbraw/zinc/50/28/34/645502834.db2.gz MTQUQNAAEYFCCT-CQSZACIVSA-N 0 0 323.364 2.461 10 30 DEEERN COCCn1c(-c2ccc[nH]2)nnc1N1CCC(C)(C#N)CC1 ZINC000802483669 645529192 /nfs/dbraw/zinc/52/91/92/645529192.db2.gz PRANHLURAQVHRJ-UHFFFAOYSA-N 0 0 314.393 2.050 10 30 DEEERN N#Cc1ccc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)s1 ZINC000802622873 645537575 /nfs/dbraw/zinc/53/75/75/645537575.db2.gz LAJMBBKUEZPNDK-UHFFFAOYSA-N 0 0 302.330 2.102 10 30 DEEERN C=C[C@@](C)(CC)COC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000802796634 645560407 /nfs/dbraw/zinc/56/04/07/645560407.db2.gz ITFVTLDOJMNHAE-AAEUAGOBSA-N 0 0 309.328 2.395 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000803701520 645682504 /nfs/dbraw/zinc/68/25/04/645682504.db2.gz VVVGPRSMMHSVFP-GOSISDBHSA-N 0 0 323.392 2.386 10 30 DEEERN C#CCN(C(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1)C1CCCC1 ZINC000804402249 645766755 /nfs/dbraw/zinc/76/67/55/645766755.db2.gz JDNAZCZDEYEJOM-AWEZNQCLSA-N 0 0 323.396 2.140 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)C1(C(=O)NC2CC2)CCC1 ZINC000804452075 645772913 /nfs/dbraw/zinc/77/29/13/645772913.db2.gz BGCNPSMWWVYMIP-QGZVFWFLSA-N 0 0 324.424 2.186 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cnn2ncccc12 ZINC000804451980 645773361 /nfs/dbraw/zinc/77/33/61/645773361.db2.gz BNIBPVGTJJHUIJ-OAHLLOKOSA-N 0 0 304.353 2.094 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1nccc(N(C)C)n1 ZINC000806395920 645826912 /nfs/dbraw/zinc/82/69/12/645826912.db2.gz CPYVRNBMBRKXAK-OAHLLOKOSA-N 0 0 323.400 2.299 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc2cnn(CCOC)c2c1 ZINC000806616556 645853650 /nfs/dbraw/zinc/85/36/50/645853650.db2.gz FUWYJADDTKRFJU-UHFFFAOYSA-N 0 0 309.369 2.284 10 30 DEEERN C#Cc1cncc(C(=O)N2CCO[C@H](c3cccc(OC)c3)C2)c1 ZINC000807091521 645910919 /nfs/dbraw/zinc/91/09/19/645910919.db2.gz MIZQHUGCKLFRFV-SFHVURJKSA-N 0 0 322.364 2.285 10 30 DEEERN C#Cc1cncc(C(=O)N2CCC(CCC(=O)OCC)CC2)c1 ZINC000807129069 645913741 /nfs/dbraw/zinc/91/37/41/645913741.db2.gz ALVXZAUVIHXSDR-UHFFFAOYSA-N 0 0 314.385 2.258 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(C)c(N2CCNC2=O)c1 ZINC000807434726 645949622 /nfs/dbraw/zinc/94/96/22/645949622.db2.gz ZNQXUJNKTGFJIV-UHFFFAOYSA-N 0 0 309.369 2.126 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@](C)(O)CSC ZINC000807466667 645954169 /nfs/dbraw/zinc/95/41/69/645954169.db2.gz YQAPPPNWUCLVAD-DOTOQJQBSA-N 0 0 320.458 2.034 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](CO)C(C)C ZINC000807470081 645954293 /nfs/dbraw/zinc/95/42/93/645954293.db2.gz NYHHKQAHPUSQDY-DLBZAZTESA-N 0 0 302.418 2.185 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC(C)(COC)C1 ZINC000807469349 645954351 /nfs/dbraw/zinc/95/43/51/645954351.db2.gz DWWQFZNJTKRSQY-INIZCTEOSA-N 0 0 300.402 2.299 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](CO)C(C)C ZINC000807470084 645954464 /nfs/dbraw/zinc/95/44/64/645954464.db2.gz NYHHKQAHPUSQDY-IRXDYDNUSA-N 0 0 302.418 2.185 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@](C)(O)C(C)C ZINC000807466959 645954570 /nfs/dbraw/zinc/95/45/70/645954570.db2.gz HVQBZOPPXJIIIF-WMZOPIPTSA-N 0 0 302.418 2.327 10 30 DEEERN C#CCN(C(=O)CNc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000163859908 646403239 /nfs/dbraw/zinc/40/32/39/646403239.db2.gz YOPVQMSJEDUYAN-UHFFFAOYSA-N 0 0 301.346 2.411 10 30 DEEERN C#CCN(C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C1CCCC1 ZINC000163992708 646410528 /nfs/dbraw/zinc/41/05/28/646410528.db2.gz QWORCDQYXZYEDZ-QGZVFWFLSA-N 0 0 324.424 2.440 10 30 DEEERN COCc1ccc(C(=O)NCc2ccc(OCC#N)cc2)o1 ZINC000170785195 646667106 /nfs/dbraw/zinc/66/71/06/646667106.db2.gz GEVPUQVZKLUCQN-UHFFFAOYSA-N 0 0 300.314 2.258 10 30 DEEERN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@@H](C)C1CC1 ZINC000171495669 646703114 /nfs/dbraw/zinc/70/31/14/646703114.db2.gz RUWUASFKMSDEEY-LBPRGKRZSA-N 0 0 312.373 2.492 10 30 DEEERN C=C(Cl)COC(=O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000730300635 646899401 /nfs/dbraw/zinc/89/94/01/646899401.db2.gz XLOJHPBVBFUHMX-LBPRGKRZSA-N 0 0 311.790 2.497 10 30 DEEERN C=CCNC(=O)COC(=O)Cc1c[nH]c2c1cccc2CC ZINC000731747343 647505922 /nfs/dbraw/zinc/50/59/22/647505922.db2.gz RRUICLRJPYKWHL-UHFFFAOYSA-N 0 0 300.358 2.118 10 30 DEEERN C#Cc1ccc(C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)nc1 ZINC000732084747 647540449 /nfs/dbraw/zinc/54/04/49/647540449.db2.gz APPRDKGPGMMVSL-AWEZNQCLSA-N 0 0 321.384 2.009 10 30 DEEERN C[C@@H](Cc1ccccc1)C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 ZINC000732584084 647627237 /nfs/dbraw/zinc/62/72/37/647627237.db2.gz PJIXXWFRFQOBCX-SCLBCKFNSA-N 0 0 314.385 2.217 10 30 DEEERN CC(C)Oc1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000732648216 647635888 /nfs/dbraw/zinc/63/58/88/647635888.db2.gz AMMOJIVJEWTJQN-MRXNPFEDSA-N 0 0 313.401 2.286 10 30 DEEERN C[C@@H](C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1F ZINC000732650579 647635898 /nfs/dbraw/zinc/63/58/98/647635898.db2.gz XUTXHIQYKNNIHW-OCCSQVGLSA-N 0 0 301.365 2.128 10 30 DEEERN C#CC[C@H](OC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)C1CC1 ZINC000175344568 648345427 /nfs/dbraw/zinc/34/54/27/648345427.db2.gz LACZLSAGDHTSQB-CVEARBPZSA-N 0 0 318.417 2.259 10 30 DEEERN CC(=O)N1CCC[C@H](C(=O)OC[C@@H](C#N)Cc2cccs2)C1 ZINC000180109652 648457652 /nfs/dbraw/zinc/45/76/52/648457652.db2.gz SYWSCIFHOMCEFL-KGLIPLIRSA-N 0 0 320.414 2.232 10 30 DEEERN CN(C1(C#N)CCC1)S(=O)(=O)c1cccc2ncccc21 ZINC000180680086 648506030 /nfs/dbraw/zinc/50/60/30/648506030.db2.gz YCJHITOZZXJBDM-UHFFFAOYSA-N 0 0 301.371 2.302 10 30 DEEERN CCOC(=O)C1(C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)CC1 ZINC000181057803 648541686 /nfs/dbraw/zinc/54/16/86/648541686.db2.gz TXTJNLCCHOCFTN-CYBMUJFWSA-N 0 0 319.332 2.394 10 30 DEEERN CC(=O)N[C@@H](CC(=O)OCC1(C#N)CCC1)c1ccccc1 ZINC000183923331 649201468 /nfs/dbraw/zinc/20/14/68/649201468.db2.gz YIKNRIHAOIYPQV-HNNXBMFYSA-N 0 0 300.358 2.491 10 30 DEEERN Cc1ccc([N+](=O)[O-])cc1C(=O)OCC1(C#N)CCOCC1 ZINC000183959359 649210462 /nfs/dbraw/zinc/21/04/62/649210462.db2.gz JAQDEMHRFAXDSE-UHFFFAOYSA-N 0 0 304.302 2.380 10 30 DEEERN C#CCOc1ccc(C(=O)NCc2nnc(C3CCC3)n2C)cc1 ZINC000184034811 649228658 /nfs/dbraw/zinc/22/86/58/649228658.db2.gz XUVWIDCSHTXSAQ-UHFFFAOYSA-N 0 0 324.384 2.025 10 30 DEEERN C#CCCNC(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000733356265 649553627 /nfs/dbraw/zinc/55/36/27/649553627.db2.gz OMTVUVXYBHJKAS-ZDUSSCGKSA-N 0 0 309.410 2.099 10 30 DEEERN C#CC[C@H](OC(=O)c1cnn2ccc(C)nc12)c1ccccn1 ZINC000105549810 651137698 /nfs/dbraw/zinc/13/76/98/651137698.db2.gz XGSJYSMEYNCOJH-HNNXBMFYSA-N 0 0 306.325 2.354 10 30 DEEERN CCOCCCNC(=O)[C@@H](C#N)C(=O)[C@@H](C)CC1CCCC1 ZINC000114617561 651989338 /nfs/dbraw/zinc/98/93/38/651989338.db2.gz RQIHVUMAWRTOKA-ZFWWWQNUSA-N 0 0 308.422 2.454 10 30 DEEERN C=CCC[C@H](C)OC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000089312019 684021947 /nfs/dbraw/zinc/02/19/47/684021947.db2.gz HHFZDHMQXACCQA-NWDGAFQWSA-N 0 0 308.378 2.137 10 30 DEEERN C#C[C@H](OC(=O)CN1C(=O)CSc2ccccc21)C1CC1 ZINC000089491017 684023896 /nfs/dbraw/zinc/02/38/96/684023896.db2.gz UPQUJSWOCSWUQK-ZDUSSCGKSA-N 0 0 301.367 2.080 10 30 DEEERN CC#CCOC(=O)CSc1nnc(C)n1Cc1ccccc1 ZINC000091112367 684034766 /nfs/dbraw/zinc/03/47/66/684034766.db2.gz WOEJLCBNJLTLOM-UHFFFAOYSA-N 0 0 315.398 2.293 10 30 DEEERN C=C(C)COC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1 ZINC000096995812 684054860 /nfs/dbraw/zinc/05/48/60/684054860.db2.gz ZRCSPSGMHXICPO-ZDUSSCGKSA-N 0 0 303.358 2.476 10 30 DEEERN C#CCN[C@@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000104366208 684059502 /nfs/dbraw/zinc/05/95/02/684059502.db2.gz URVQKWQRALZYOU-HNNXBMFYSA-N 0 0 322.202 2.072 10 30 DEEERN C#CCOc1cccc(COC(=O)[C@@H]2CCN(C(=O)CC)C2)c1 ZINC000123937011 684129406 /nfs/dbraw/zinc/12/94/06/684129406.db2.gz DUFVERATESUBMR-OAHLLOKOSA-N 0 0 315.369 2.000 10 30 DEEERN C#C[C@@H](C)OC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000125312007 684144701 /nfs/dbraw/zinc/14/47/01/684144701.db2.gz URYDHIRGNJWUPY-HIFRSBDPSA-N 0 0 301.342 2.353 10 30 DEEERN N#C[C@@H](NC(=O)c1ccc(-n2cnc3ccccc32)nc1)C1CC1 ZINC000129464659 684179996 /nfs/dbraw/zinc/17/99/96/684179996.db2.gz YOURUTDLZRKRPK-OAHLLOKOSA-N 0 0 317.352 2.452 10 30 DEEERN C=CCOCCCC(=O)Nc1cnc(Br)cn1 ZINC000132941495 684215266 /nfs/dbraw/zinc/21/52/66/684215266.db2.gz UPGXRSZRAQUNLW-UHFFFAOYSA-N 0 0 300.156 2.160 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=O)c1cc(C)nn1CC ZINC000133869349 684223701 /nfs/dbraw/zinc/22/37/01/684223701.db2.gz RGYLIBZKYCFSAO-UHFFFAOYSA-N 0 0 312.373 2.380 10 30 DEEERN N#CCOc1cc(F)ccc1NC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000135256315 684233653 /nfs/dbraw/zinc/23/36/53/684233653.db2.gz ACTAEQDIWUCKNG-FZMZJTMJSA-N 0 0 321.352 2.401 10 30 DEEERN COC(=O)C1(C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)CC1 ZINC000155816552 684280706 /nfs/dbraw/zinc/28/07/06/684280706.db2.gz ZKXRFEYMSOUDIF-GFCCVEGCSA-N 0 0 305.305 2.004 10 30 DEEERN C=CCC[C@@H](OC(=O)Cc1ccc(-n2cnnn2)cc1)C1CC1 ZINC000159735980 684320397 /nfs/dbraw/zinc/32/03/97/684320397.db2.gz QWYUDVSHUXFUCU-MRXNPFEDSA-N 0 0 312.373 2.493 10 30 DEEERN CC[C@@H](CC#N)OC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000188087052 684349221 /nfs/dbraw/zinc/34/92/21/684349221.db2.gz VTVXIDUWWHSFMR-GOEBONIOSA-N 0 0 318.373 2.498 10 30 DEEERN O=[N+]([O-])c1ccc(NCCO)c(NCC#Cc2ccccc2)c1 ZINC000190317128 684402942 /nfs/dbraw/zinc/40/29/42/684402942.db2.gz DSPXBPBHRONHDS-UHFFFAOYSA-N 0 0 311.341 2.463 10 30 DEEERN COc1ccc([C@H](CC(=O)OC(C)(C)C#N)NC(C)=O)cc1 ZINC000194481432 685067164 /nfs/dbraw/zinc/06/71/64/685067164.db2.gz OACZKJRALBQGNT-AWEZNQCLSA-N 0 0 304.346 2.108 10 30 DEEERN C#CCN(C(=O)c1ncn(-c2ccccc2)n1)c1nccs1 ZINC000092363325 777662724 /nfs/dbraw/zinc/66/27/24/777662724.db2.gz QLOFKQNODRBSEK-UHFFFAOYSA-N 0 0 309.354 2.004 10 30 DEEERN C#Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)nc1 ZINC000728804506 779830936 /nfs/dbraw/zinc/83/09/36/779830936.db2.gz IDNRJUMBQIXNIL-ZDUSSCGKSA-N 0 0 317.352 2.135 10 30 DEEERN C=C(COC(=O)c1cnc(-c2ccncc2)s1)C(=O)OCC ZINC000745170037 784693303 /nfs/dbraw/zinc/69/33/03/784693303.db2.gz UHNBIKHLMRRDCB-UHFFFAOYSA-N 0 0 318.354 2.481 10 30 DEEERN CC[C@@](C)(C#N)C(=O)NCc1ncc(Br)s1 ZINC000714616994 792321073 /nfs/dbraw/zinc/32/10/73/792321073.db2.gz APMFSERBTSEIPL-JTQLQIEISA-N 0 0 302.197 2.462 10 30 DEEERN C#CC[C@H](COC)NC(=O)c1ccc(Br)c(F)c1 ZINC000716846037 793009856 /nfs/dbraw/zinc/00/98/56/793009856.db2.gz JXPKTGYEXIBCAH-SNVBAGLBSA-N 0 0 314.154 2.356 10 30 DEEERN C#CCN1CCN(C(=O)/C=C/c2ccnc3ccccc23)CC1 ZINC000117803172 799026983 /nfs/dbraw/zinc/02/69/83/799026983.db2.gz ZUTMHNWBKUHJET-BQYQJAHWSA-N 0 0 305.381 2.025 10 30 DEEERN C#CC1(O)CCN(Cc2cc(Br)cs2)CC1 ZINC000708132540 1086677283 /nfs/dbraw/zinc/67/72/83/1086677283.db2.gz AQDXWKWKFNXVRZ-UHFFFAOYSA-N 0 0 300.221 2.471 10 30 DEEERN C=CCCC(C)(C)CNS(=O)(=O)c1ncn(C)c1Cl ZINC000709413312 1086682927 /nfs/dbraw/zinc/68/29/27/1086682927.db2.gz SPLDXVWKLXVQHH-UHFFFAOYSA-N 0 0 305.831 2.344 10 30 DEEERN CSCC[C@@H](C)N(C)S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720037566 1089429159 /nfs/dbraw/zinc/42/91/59/1089429159.db2.gz NULAKDHTUSFQQF-SNVBAGLBSA-N 0 0 316.423 2.459 10 30 DEEERN C=CCCO[C@@H](C)C(=O)Nc1ccc(S(C)(=O)=O)cc1C ZINC000074630114 185004494 /nfs/dbraw/zinc/00/44/94/185004494.db2.gz XAJKQNUNMMYMCU-LBPRGKRZSA-N 0 0 311.403 2.318 10 30 DEEERN CN1c2cccc(C(=O)Nc3ccc(C#N)cc3)c2OCC1=O ZINC000074733411 185014965 /nfs/dbraw/zinc/01/49/65/185014965.db2.gz JHKRMDOROUNDBI-UHFFFAOYSA-N 0 0 307.309 2.166 10 30 DEEERN C=CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](CCF)C1 ZINC000624827383 365562435 /nfs/dbraw/zinc/56/24/35/365562435.db2.gz ICVZVPXOXUDTIM-KBPBESRZSA-N 0 0 324.400 2.271 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CCOC)Cc1ccco1 ZINC000425500685 334930399 /nfs/dbraw/zinc/93/03/99/334930399.db2.gz CGGHUULAOWNQDP-DZKIICNBSA-N 0 0 322.405 2.118 10 30 DEEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC000624848655 365569396 /nfs/dbraw/zinc/56/93/96/365569396.db2.gz DEHHYZGJUPGCQK-ZDUSSCGKSA-N 0 0 306.320 2.090 10 30 DEEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC000624846762 365569558 /nfs/dbraw/zinc/56/95/58/365569558.db2.gz SEQQOXDSJOAOII-AWEZNQCLSA-N 0 0 316.409 2.106 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1CCn2cc(C)nc2C1 ZINC000624859268 365572429 /nfs/dbraw/zinc/57/24/29/365572429.db2.gz DQMBIGRYMLHOJJ-NSHDSACASA-N 0 0 301.312 2.331 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)Cc1cscn1 ZINC000149502142 282104250 /nfs/dbraw/zinc/10/42/50/282104250.db2.gz CACQBOJQRUEOPU-NSHDSACASA-N 0 0 301.371 2.441 10 30 DEEERN Cn1ccnc1C[C@@H](NC(=O)NCCCC#N)c1ccccc1 ZINC000612161302 361760229 /nfs/dbraw/zinc/76/02/29/361760229.db2.gz AGOMYYGKUXNUPV-OAHLLOKOSA-N 0 0 311.389 2.307 10 30 DEEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N(CC)[C@H]1CCCOC1 ZINC000624998254 365610289 /nfs/dbraw/zinc/61/02/89/365610289.db2.gz SYWTXDJXPNJYIL-AWEZNQCLSA-N 0 0 316.409 2.250 10 30 DEEERN C=CCN(C(C)=O)[C@H](C)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000096775550 185387261 /nfs/dbraw/zinc/38/72/61/185387261.db2.gz DWTLSGDNIIXEEZ-MNOVXSKESA-N 0 0 316.357 2.012 10 30 DEEERN C#CCN(CCC)S(=O)(=O)c1cc(N)c(C)c(Cl)c1 ZINC000164427173 197653187 /nfs/dbraw/zinc/65/31/87/197653187.db2.gz KJWYAOIBLZOTNG-UHFFFAOYSA-N 0 0 300.811 2.265 10 30 DEEERN CN(Cc1csc(C#CCO)c1)C(=O)[C@]1(C)CCCS1 ZINC000164886986 197666038 /nfs/dbraw/zinc/66/60/38/197666038.db2.gz MYVJPSWZNRGQOZ-HNNXBMFYSA-N 0 0 309.456 2.336 10 30 DEEERN Cc1ccc(C#CCCO)cc1C(=O)N1CCSC[C@H]1C ZINC000087746395 185231202 /nfs/dbraw/zinc/23/12/02/185231202.db2.gz IRFUNUGUFRNDSU-CQSZACIVSA-N 0 0 303.427 2.306 10 30 DEEERN CN[C@@H](C#N)CCOc1ccc(Br)cc1[N+](=O)[O-] ZINC000088086792 185239393 /nfs/dbraw/zinc/23/93/93/185239393.db2.gz KLCAUHWPNLZPTP-SECBINFHSA-N 0 0 314.139 2.238 10 30 DEEERN C[C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(N)cc1C#N ZINC000088506975 185254378 /nfs/dbraw/zinc/25/43/78/185254378.db2.gz CDBJGGUNAHRBAD-FZMZJTMJSA-N 0 0 307.419 2.388 10 30 DEEERN CCc1ccc(CCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000370971689 529625498 /nfs/dbraw/zinc/62/54/98/529625498.db2.gz FNIOQFCGPKUDOX-SFHVURJKSA-N 0 0 311.429 2.380 10 30 DEEERN CC(C)CN(CCC#N)C(=O)c1sc2nccnc2c1N ZINC000088642368 185260988 /nfs/dbraw/zinc/26/09/88/185260988.db2.gz MPVONMUKYKUEHE-UHFFFAOYSA-N 0 0 303.391 2.285 10 30 DEEERN CC[C@H](NS(=O)(=O)CCCC#N)c1cccc([N+](=O)[O-])c1 ZINC000090221976 185286930 /nfs/dbraw/zinc/28/69/30/185286930.db2.gz NMOWXACVANMLNE-ZDUSSCGKSA-N 0 0 311.363 2.269 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000613245579 362055916 /nfs/dbraw/zinc/05/59/16/362055916.db2.gz HDRBNQXWTAKFDD-ULQDDVLXSA-N 0 0 322.449 2.123 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000613245581 362056425 /nfs/dbraw/zinc/05/64/25/362056425.db2.gz HDRBNQXWTAKFDD-ZACQAIPSSA-N 0 0 322.449 2.123 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000613407203 362103019 /nfs/dbraw/zinc/10/30/19/362103019.db2.gz QMXNYUWROJWUAO-MRXNPFEDSA-N 0 0 301.390 2.370 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)CN1C(=O)Cc2ccccc21 ZINC000613329587 362081062 /nfs/dbraw/zinc/08/10/62/362081062.db2.gz HOSOGMPAILEGPF-UHFFFAOYSA-N 0 0 324.380 2.426 10 30 DEEERN COc1cccc(C(=O)Nc2nc3n(c2C#N)CCS3)c1F ZINC000090559770 185303442 /nfs/dbraw/zinc/30/34/42/185303442.db2.gz UZVWVOIUPASSKN-UHFFFAOYSA-N 0 0 318.333 2.260 10 30 DEEERN CCNC(=O)NCC#CCOc1cccc(C(F)(F)F)c1 ZINC000090730561 185311538 /nfs/dbraw/zinc/31/15/38/185311538.db2.gz NDDRLYJZDRYWSI-UHFFFAOYSA-N 0 0 300.280 2.407 10 30 DEEERN CC(C)(C)CC(=O)NCC#CCOc1ccc2c(c1)OCO2 ZINC000090730707 185311658 /nfs/dbraw/zinc/31/16/58/185311658.db2.gz CTUBXAVVAGNNLO-UHFFFAOYSA-N 0 0 303.358 2.350 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCC1CCC(OC)CC1 ZINC000613479496 362124575 /nfs/dbraw/zinc/12/45/75/362124575.db2.gz LTDZPDUJCZZGRH-GPANFISMSA-N 0 0 310.438 2.169 10 30 DEEERN CC(C)(C)OC(=O)CS(=O)(=O)[C@H]1CCCCC[C@@H]1C#N ZINC000166989187 197702587 /nfs/dbraw/zinc/70/25/87/197702587.db2.gz RQAGNNKENZBGSD-NEPJUHHUSA-N 0 0 301.408 2.215 10 30 DEEERN CC(C)(C)OC(=O)N1CCC[C@](C#N)(NCC(F)(F)F)C1 ZINC000092595165 185328430 /nfs/dbraw/zinc/32/84/30/185328430.db2.gz GIWVRWXUYXRMSH-GFCCVEGCSA-N 0 0 307.316 2.432 10 30 DEEERN CCc1nc(C(C)(C)NC(=O)NCC#Cc2ccccc2)no1 ZINC000441901938 529712054 /nfs/dbraw/zinc/71/20/54/529712054.db2.gz POGLYUBZUUCDSE-UHFFFAOYSA-N 0 0 312.373 2.218 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1c(Cl)cccc1OC ZINC000613915817 362245105 /nfs/dbraw/zinc/24/51/05/362245105.db2.gz MXZYEAANYGTRFQ-AWEZNQCLSA-N 0 0 324.808 2.436 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)CC3)C1 ZINC000625354179 365743713 /nfs/dbraw/zinc/74/37/13/365743713.db2.gz HTSHNTAFMUHUNT-GFCCVEGCSA-N 0 0 305.399 2.402 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)CCOCC2CCCC2)C1 ZINC000625356056 365744615 /nfs/dbraw/zinc/74/46/15/365744615.db2.gz ZDXAFQFBBKJXDH-AWEZNQCLSA-N 0 0 301.452 2.421 10 30 DEEERN C=C[C@H](O)C(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000613865691 362235711 /nfs/dbraw/zinc/23/57/11/362235711.db2.gz IDJGIONSQMWVPB-KCJUWKMLSA-N 0 0 314.179 2.182 10 30 DEEERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(C#N)cn1C ZINC000177511362 529786081 /nfs/dbraw/zinc/78/60/81/529786081.db2.gz CUSPACLNCXNYLA-UHFFFAOYSA-N 0 0 310.357 2.002 10 30 DEEERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnc(C#N)c1 ZINC000193394880 282296268 /nfs/dbraw/zinc/29/62/68/282296268.db2.gz DAMUTMBKXUEKGG-UHFFFAOYSA-N 0 0 308.341 2.058 10 30 DEEERN CNC(=O)[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)C(C)C ZINC000178818202 529919843 /nfs/dbraw/zinc/91/98/43/529919843.db2.gz KNUXDBNTUPPOKL-LSDHHAIUSA-N 0 0 316.405 2.101 10 30 DEEERN N#CCc1ccc(C[C@@H]2CC(=O)N(Cc3cccnc3)C2=O)cc1 ZINC000169940370 197761569 /nfs/dbraw/zinc/76/15/69/197761569.db2.gz VPFPZAPYVMPXPB-QGZVFWFLSA-N 0 0 319.364 2.265 10 30 DEEERN CN(C[C@H](O)COCc1ccccc1)C(=O)C1(C#N)CCCC1 ZINC000081966808 529961032 /nfs/dbraw/zinc/96/10/32/529961032.db2.gz BERAFGPCEJQIBL-INIZCTEOSA-N 0 0 316.401 2.106 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(c2ccccn2)CCC1 ZINC000614781249 362461247 /nfs/dbraw/zinc/46/12/47/362461247.db2.gz XLIKNEPYMDPMGP-OAHLLOKOSA-N 0 0 315.417 2.090 10 30 DEEERN COC(=O)c1ccc(CNC(=O)c2sccc2C#N)cc1 ZINC000052027865 190681304 /nfs/dbraw/zinc/68/13/04/190681304.db2.gz DABHDLVWPXIESD-UHFFFAOYSA-N 0 0 300.339 2.336 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCCCC1(F)F ZINC000615474616 362616763 /nfs/dbraw/zinc/61/67/63/362616763.db2.gz YKFPUHSLQWVKHS-QWHCGFSZSA-N 0 0 302.365 2.399 10 30 DEEERN COc1ccc(-c2nc(CN3CC[C@@](F)(C#N)C3)no2)cc1 ZINC000615647651 362670626 /nfs/dbraw/zinc/67/06/26/362670626.db2.gz XKTZNLFMNCFGFQ-OAHLLOKOSA-N 0 0 302.309 2.183 10 30 DEEERN CO[C@@H](C)[C@H](C)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000615668910 362675982 /nfs/dbraw/zinc/67/59/82/362675982.db2.gz GVEYBBIXTFFZOL-XEZPLFJOSA-N 0 0 301.390 2.067 10 30 DEEERN C=C(C)CS(=O)(=O)NCC(=O)c1ccc(F)cc1Cl ZINC000625607827 365847777 /nfs/dbraw/zinc/84/77/77/365847777.db2.gz JTYKBURDFDGFIV-UHFFFAOYSA-N 0 0 305.758 2.157 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1COC[C@H]1c1ccccc1 ZINC000616409028 362849186 /nfs/dbraw/zinc/84/91/86/362849186.db2.gz GUQQLVKRFNRQHE-QAETUUGQSA-N 0 0 301.386 2.124 10 30 DEEERN C=CCn1cc(CNC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)nn1 ZINC000616409633 362849410 /nfs/dbraw/zinc/84/94/10/362849410.db2.gz TVNXANLSTVCDMK-JSGCOSHPSA-N 0 0 310.348 2.296 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1Cc2ccc(OC)cc2C1 ZINC000616708468 362916801 /nfs/dbraw/zinc/91/68/01/362916801.db2.gz VNSNNOFIJYFUKZ-INIZCTEOSA-N 0 0 302.374 2.008 10 30 DEEERN CN(C)c1ccc2c(c1)[C@H](C#N)N(CCCCn1ccnc1)C2=O ZINC000071679184 191005613 /nfs/dbraw/zinc/00/56/13/191005613.db2.gz SLOSZANEJQEASH-KRWDZBQOSA-N 0 0 323.400 2.450 10 30 DEEERN COc1ccc2c(c1)[C@@H](C#N)N(CCc1c(C)nn(C)c1C)C2=O ZINC000071678562 191006113 /nfs/dbraw/zinc/00/61/13/191006113.db2.gz GZDVAFSCVLNFLZ-QGZVFWFLSA-N 0 0 324.384 2.309 10 30 DEEERN CC#CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000133657281 186004080 /nfs/dbraw/zinc/00/40/80/186004080.db2.gz VLCOUNXMDUZHSI-LSDHHAIUSA-N 0 0 307.344 2.033 10 30 DEEERN N#CCC[C@H](NC(=O)N[C@@H]1CCCn2ncnc21)c1ccccc1 ZINC000133722371 186009925 /nfs/dbraw/zinc/00/99/25/186009925.db2.gz ZBTNRIPTNADWGW-LSDHHAIUSA-N 0 0 324.388 2.457 10 30 DEEERN CCN[C@H](C#N)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000138346700 186016331 /nfs/dbraw/zinc/01/63/31/186016331.db2.gz SSUYVZBBAMQRIM-SECBINFHSA-N 0 0 303.240 2.494 10 30 DEEERN CC[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ncc[nH]1 ZINC000139682506 186023290 /nfs/dbraw/zinc/02/32/90/186023290.db2.gz YIEIBKOYEFXJGV-NSHDSACASA-N 0 0 324.793 2.364 10 30 DEEERN C[C@H]1CCC[C@H](C)N1NS(=O)(=O)c1ccc(CC#N)cc1 ZINC000147791282 186042093 /nfs/dbraw/zinc/04/20/93/186042093.db2.gz MECLTPNOSAITSV-STQMWFEESA-N 0 0 307.419 2.209 10 30 DEEERN CC[C@@H](C#N)N1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000148410281 186044222 /nfs/dbraw/zinc/04/42/22/186044222.db2.gz WGEKCPRBABDZND-NSHDSACASA-N 0 0 309.757 2.067 10 30 DEEERN C[C@H](NCC(=O)NCCC#N)c1ccccc1Br ZINC000149034069 186047279 /nfs/dbraw/zinc/04/72/79/186047279.db2.gz MKJIQMCLBCHSJE-JTQLQIEISA-N 0 0 310.195 2.130 10 30 DEEERN Cc1cc(C(=O)NN2[C@H](C)CCC[C@@H]2C)sc1C#CCO ZINC000149852109 186053273 /nfs/dbraw/zinc/05/32/73/186053273.db2.gz HGBPDODWSRARIG-BETUJISGSA-N 0 0 306.431 2.308 10 30 DEEERN CC(C)[C@@]1(C)CC(=O)N(Cc2sccc2C#CCO)C1=O ZINC000148749289 186045849 /nfs/dbraw/zinc/04/58/49/186045849.db2.gz OKAKBDHVYVOSCD-MRXNPFEDSA-N 0 0 305.399 2.013 10 30 DEEERN Cc1nc(C(=O)N[C@H](CCC#N)c2ccccc2)c(=O)[nH]c1C ZINC000164161474 186150727 /nfs/dbraw/zinc/15/07/27/186150727.db2.gz CAMSOBOGSASREO-CQSZACIVSA-N 0 0 310.357 2.162 10 30 DEEERN Cc1nc(C(=O)N[C@@H](CCC#N)c2ccccc2)c(=O)[nH]c1C ZINC000164161351 186150833 /nfs/dbraw/zinc/15/08/33/186150833.db2.gz CAMSOBOGSASREO-AWEZNQCLSA-N 0 0 310.357 2.162 10 30 DEEERN C#CCOc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1CO ZINC000188039202 186247828 /nfs/dbraw/zinc/24/78/28/186247828.db2.gz VJQQCKAOBNBSAA-KBPBESRZSA-N 0 0 302.374 2.371 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C)c(C(N)=O)cn1 ZINC000617044438 363008066 /nfs/dbraw/zinc/00/80/66/363008066.db2.gz NKTBEXMOEJERRG-GXTWGEPZSA-N 0 0 301.390 2.354 10 30 DEEERN C=CCSCCNC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000595492431 358464067 /nfs/dbraw/zinc/46/40/67/358464067.db2.gz MBGJXADCYBLFSK-NXEZZACHSA-N 0 0 312.357 2.267 10 30 DEEERN C=CCCC1(CNC(=O)CCN2C(=O)CCC2=O)CCCC1 ZINC000617416436 363127345 /nfs/dbraw/zinc/12/73/45/363127345.db2.gz QCHNCGGETOBQLB-UHFFFAOYSA-N 0 0 306.406 2.168 10 30 DEEERN C=CCCC1(CNC(=O)c2cccc(C(N)=O)n2)CCCC1 ZINC000617417152 363127497 /nfs/dbraw/zinc/12/74/97/363127497.db2.gz NRSOTJLZMBKRDD-UHFFFAOYSA-N 0 0 301.390 2.437 10 30 DEEERN C=CCCC1(CNC(=O)[C@H]2CCc3nnnn3CC2)CCCC1 ZINC000617419057 363129046 /nfs/dbraw/zinc/12/90/46/363129046.db2.gz VKSZHBDJVPSCPV-AWEZNQCLSA-N 0 0 317.437 2.268 10 30 DEEERN C=C(C)COc1cccc(NC(=O)[C@H]2CCCN(C)C2=O)c1 ZINC000294623467 539844671 /nfs/dbraw/zinc/84/46/71/539844671.db2.gz PHTTWBYDSBMSHY-OAHLLOKOSA-N 0 0 302.374 2.448 10 30 DEEERN CC(C)[C@H](NC(=O)N[C@@H]1CCO[C@H]1C)c1nnc2ccccn21 ZINC000328952074 539912616 /nfs/dbraw/zinc/91/26/16/539912616.db2.gz XMRKXLVSWSHUGY-SCRDCRAPSA-N 0 0 317.393 2.107 10 30 DEEERN C[C@H](Cn1cncn1)NC(=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329592988 539923700 /nfs/dbraw/zinc/92/37/00/539923700.db2.gz CBBQKSNAQOLDGM-HACGYAERSA-N 0 0 312.373 2.364 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCc2ccc(C)cc2C1 ZINC000617601407 363200464 /nfs/dbraw/zinc/20/04/64/363200464.db2.gz JHSJRPIVNCIIII-QGZVFWFLSA-N 0 0 300.402 2.351 10 30 DEEERN C=CC[C@@H](C(=O)N1CCC[C@@](CO)(OC)C1)c1ccccc1 ZINC000617801526 363269269 /nfs/dbraw/zinc/26/92/69/363269269.db2.gz QXIXTPCFMFDQAM-SJLPKXTDSA-N 0 0 303.402 2.346 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc(CC(=O)NC)cc2)C1 ZINC000626259185 366126717 /nfs/dbraw/zinc/12/67/17/366126717.db2.gz KPHZZDLOYGFNSZ-CQSZACIVSA-N 0 0 301.390 2.405 10 30 DEEERN C=C1C(=O)O[C@@H]2C[C@H](C)C([C@@H](CC(C)=O)OC(C)=O)=CC[C@H]12 ZINC000004098228 181072475 /nfs/dbraw/zinc/07/24/75/181072475.db2.gz DPSCQKGSAHTWSP-LDYRWJSCSA-N 0 0 306.358 2.351 10 30 biogenic,in-vitro DEEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc(N3CCOCC3)cn2)C1 ZINC000626528913 366218566 /nfs/dbraw/zinc/21/85/66/366218566.db2.gz DSLNPPNDAGXGIU-CQSZACIVSA-N 0 0 316.405 2.348 10 30 DEEERN N#C[C@@H]1CN(CC2CCC(=O)CC2)C[C@@]12c1ccccc1NC2=O ZINC000333654989 283061163 /nfs/dbraw/zinc/06/11/63/283061163.db2.gz FPSZMNHRPXNBJS-KUHUBIRLSA-N 0 0 323.396 2.091 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000076953334 355175402 /nfs/dbraw/zinc/17/54/02/355175402.db2.gz MMFOAZOBUCDJLW-CQSZACIVSA-N 0 0 301.390 2.400 10 30 DEEERN C[C@H](CNC(=O)N1CCO[C@H](C#N)C1)c1ccc(F)cc1F ZINC000074886377 191378734 /nfs/dbraw/zinc/37/87/34/191378734.db2.gz FCHAOBJZJHVPLF-ZYHUDNBSSA-N 0 0 309.316 2.002 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN(C)C1=O ZINC000412837726 540151021 /nfs/dbraw/zinc/15/10/21/540151021.db2.gz ILLQFRYPGKUMTD-JKSUJKDBSA-N 0 0 300.402 2.158 10 30 DEEERN C=C(C)Cn1c([C@H]2CCOC2)nnc1N1C[C@@H]2C[C@H]1CS2 ZINC000414544135 540156242 /nfs/dbraw/zinc/15/62/42/540156242.db2.gz UJVLUOXMBPMORX-AVGNSLFASA-N 0 0 306.435 2.052 10 30 DEEERN N#C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CC1 ZINC000108827548 355738740 /nfs/dbraw/zinc/73/87/40/355738740.db2.gz HKZMDKNPCKNUDO-RISCZKNCSA-N 0 0 317.776 2.111 10 30 DEEERN Cn1cc(N2CCC[C@H](Nc3ccc(Cl)c(C#N)n3)C2)cn1 ZINC000078368001 191854811 /nfs/dbraw/zinc/85/48/11/191854811.db2.gz CGLKZJKSEHFRET-NSHDSACASA-N 0 0 316.796 2.421 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000128637236 355829062 /nfs/dbraw/zinc/82/90/62/355829062.db2.gz UTZRICVPBGPMJC-UONOGXRCSA-N 0 0 314.385 2.353 10 30 DEEERN COC[C@H]1CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)O1 ZINC000145079054 355905884 /nfs/dbraw/zinc/90/58/84/355905884.db2.gz LKJVCWCGQKSQDC-MRXNPFEDSA-N 0 0 308.337 2.453 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000139738446 355879600 /nfs/dbraw/zinc/87/96/00/355879600.db2.gz WKGWWJMENGHJTP-INIZCTEOSA-N 0 0 317.433 2.487 10 30 DEEERN N#CC1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000142087577 355893255 /nfs/dbraw/zinc/89/32/55/355893255.db2.gz WMWVIOVRPZGSCB-UHFFFAOYSA-N 0 0 301.434 2.307 10 30 DEEERN CCC[C@H](NC(=O)c1ccc(C#N)cn1)C(=O)OC(C)(C)C ZINC000161285242 355967856 /nfs/dbraw/zinc/96/78/56/355967856.db2.gz MOYAQJMOLGQKTH-ZDUSSCGKSA-N 0 0 303.362 2.193 10 30 DEEERN COc1cccc(F)c1[C@H](C)NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000179895939 356036355 /nfs/dbraw/zinc/03/63/55/356036355.db2.gz CYBINSJDWCFLER-GTNSWQLSSA-N 0 0 319.380 2.293 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)NCCNC(=O)c1ccccc1 ZINC000180444308 356051646 /nfs/dbraw/zinc/05/16/46/356051646.db2.gz FKMPCXXNMUQGGO-CQSZACIVSA-N 0 0 303.406 2.460 10 30 DEEERN C[C@H](C#N)CNC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000182709517 356141409 /nfs/dbraw/zinc/14/14/09/356141409.db2.gz OIMOVXIMMTVVBX-MNOVXSKESA-N 0 0 308.332 2.002 10 30 DEEERN C=CC[C@H](CO)NC(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000185786711 356211547 /nfs/dbraw/zinc/21/15/47/356211547.db2.gz ISYZEGKICZNYLE-OAHLLOKOSA-N 0 0 323.820 2.441 10 30 DEEERN C=CCN(CCOC)C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000192197748 356220333 /nfs/dbraw/zinc/22/03/33/356220333.db2.gz BAXUCELFECKUDW-UHFFFAOYSA-N 0 0 302.334 2.403 10 30 DEEERN C=CCSCCNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000194493889 356240343 /nfs/dbraw/zinc/24/03/43/356240343.db2.gz SPHRGHYKQZKSAT-UHFFFAOYSA-N 0 0 307.415 2.426 10 30 DEEERN COCCN(CCC#N)c1ncc(Br)cc1F ZINC000234623423 356287707 /nfs/dbraw/zinc/28/77/07/356287707.db2.gz UFCBGECADHGOFA-UHFFFAOYSA-N 0 0 302.147 2.350 10 30 DEEERN N/C(=N/O)Nc1cc(I)ccc1Cl ZINC000300885282 356390400 /nfs/dbraw/zinc/39/04/00/356390400.db2.gz AELZQWIEAXHKGX-UHFFFAOYSA-N 0 0 311.510 2.060 10 30 DEEERN O=C(C#CBr)Nc1ccc(Br)cn1 ZINC000306407552 356403411 /nfs/dbraw/zinc/40/34/11/356403411.db2.gz GOWQLGINFKBVMG-UHFFFAOYSA-N 0 0 303.941 2.138 10 30 DEEERN CN1CCN(C(=O)NCCC2=CCCC2)C[C@@H]1c1ncc[nH]1 ZINC000328633994 356465041 /nfs/dbraw/zinc/46/50/41/356465041.db2.gz SZXSGEWZHANDON-CQSZACIVSA-N 0 0 303.410 2.113 10 30 DEEERN C=CCOCCCNC(=O)Cc1csc(-c2cccnc2)n1 ZINC000618517764 363513703 /nfs/dbraw/zinc/51/37/03/363513703.db2.gz PLGUPXZNIOENST-UHFFFAOYSA-N 0 0 317.414 2.457 10 30 DEEERN C=CCOCCCNC(=O)c1ccc2[nH]c(=O)n(CC)c2c1 ZINC000618516034 363513797 /nfs/dbraw/zinc/51/37/97/363513797.db2.gz JBGMUVPOMFRDKH-UHFFFAOYSA-N 0 0 303.362 2.084 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(-n2nc(C)cc2C)nc1 ZINC000618520359 363514664 /nfs/dbraw/zinc/51/46/64/363514664.db2.gz AUNXHTNYCHAHFN-UHFFFAOYSA-N 0 0 314.389 2.207 10 30 DEEERN C=CCOCCCNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000618525616 363515752 /nfs/dbraw/zinc/51/57/52/363515752.db2.gz GCLTUMTZNFMKCL-UHFFFAOYSA-N 0 0 302.374 2.239 10 30 DEEERN C=CCCc1noc(CCNS(=O)(=O)c2ccc(C)cc2)n1 ZINC000351128547 356618992 /nfs/dbraw/zinc/61/89/92/356618992.db2.gz BFJMUKGTLFHYCG-UHFFFAOYSA-N 0 0 321.402 2.018 10 30 DEEERN N#C[C@H]1CCC[C@@H]1Nc1ncc(I)cn1 ZINC000380203961 356669400 /nfs/dbraw/zinc/66/94/00/356669400.db2.gz VMRYMYMIEVHDOC-APPZFPTMSA-N 0 0 314.130 2.185 10 30 DEEERN N#Cc1cccc(C(=O)N2Cc3cnnn3Cc3ccccc32)c1 ZINC000188985879 283204520 /nfs/dbraw/zinc/20/45/20/283204520.db2.gz JFZUOHGROIYBMU-UHFFFAOYSA-N 0 0 315.336 2.358 10 30 DEEERN N#Cc1cc(Br)cn(CCC[C@H]2CCOC2)c1=O ZINC000400932371 356725499 /nfs/dbraw/zinc/72/54/99/356725499.db2.gz OVHBLOXGIOOHNL-JTQLQIEISA-N 0 0 311.179 2.299 10 30 DEEERN CC1CC(C#N)(C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)C1 ZINC000578854093 356882773 /nfs/dbraw/zinc/88/27/73/356882773.db2.gz IQDCHAKUFNKFFQ-UHFFFAOYSA-N 0 0 324.388 2.212 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC(C)(C)c1c(C)noc1C ZINC000579116301 356924062 /nfs/dbraw/zinc/92/40/62/356924062.db2.gz PEQFRMYIKYOBKK-STQMWFEESA-N 0 0 307.394 2.417 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)c1ccc2c(c1)OCO2 ZINC000579223382 356940730 /nfs/dbraw/zinc/94/07/30/356940730.db2.gz ZQNAYAHUYQRBGU-UBHSHLNASA-N 0 0 303.358 2.226 10 30 DEEERN CC(C)c1ccc2ncc(C#N)c(N[C@@H]3CC(=O)N(C)C3)c2c1 ZINC000618678225 363570191 /nfs/dbraw/zinc/57/01/91/363570191.db2.gz GDXOJYJTEZWLPO-CQSZACIVSA-N 0 0 308.385 2.294 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)C[C@@H](NC(C)=O)c1ccccc1 ZINC000579560700 356993542 /nfs/dbraw/zinc/99/35/42/356993542.db2.gz FOUCJISIJXJBEK-ZACQAIPSSA-N 0 0 316.401 2.104 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1c(F)cccc1F ZINC000579829846 357038323 /nfs/dbraw/zinc/03/83/23/357038323.db2.gz MVOPTVKFAFZFCH-NHYWBVRUSA-N 0 0 310.344 2.398 10 30 DEEERN C=CCCCCCNc1cc(C)nc2nc(C(=O)OC)nn21 ZINC000581142131 357139343 /nfs/dbraw/zinc/13/93/43/357139343.db2.gz JNRYIMYOUCYEJT-UHFFFAOYSA-N 0 0 303.366 2.378 10 30 DEEERN CCC[C@@]1(NC(=O)NCc2ccc(C#N)cc2F)CCOC1 ZINC000588339635 357408450 /nfs/dbraw/zinc/40/84/50/357408450.db2.gz JASILXXTAIUBCW-MRXNPFEDSA-N 0 0 305.353 2.456 10 30 DEEERN Cc1nc([C@](C)(NC(=O)c2sccc2C#N)C2CC2)no1 ZINC000590495341 357551449 /nfs/dbraw/zinc/55/14/49/357551449.db2.gz VEYBMHLPZSOKLX-CQSZACIVSA-N 0 0 302.359 2.366 10 30 DEEERN C=C(C)Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(C)CCCO1 ZINC000590780707 357610458 /nfs/dbraw/zinc/61/04/58/357610458.db2.gz UJVRWRVHQYDMII-HOTGVXAUSA-N 0 0 319.384 2.322 10 30 DEEERN C=CCOc1ccc(C(=O)N2C[C@H]3COC[C@@]3(C)C2)cc1OC ZINC000618722407 363586772 /nfs/dbraw/zinc/58/67/72/363586772.db2.gz MTNOBPZKMMZEBU-KBXCAEBGSA-N 0 0 317.385 2.369 10 30 DEEERN Cc1ccnc(N2CCC[C@@H]2c2ccc(N(C)C)nn2)c1C#N ZINC000591614066 357743901 /nfs/dbraw/zinc/74/39/01/357743901.db2.gz TUQOEBZXRJBFKX-OAHLLOKOSA-N 0 0 308.389 2.459 10 30 DEEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@](F)(C#N)C1 ZINC000591620361 357744914 /nfs/dbraw/zinc/74/49/14/357744914.db2.gz IJGPIAIHWARLAR-FZMZJTMJSA-N 0 0 307.398 2.474 10 30 DEEERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CCOc2ccccc2C#N)C1 ZINC000591653093 357748044 /nfs/dbraw/zinc/74/80/44/357748044.db2.gz KBUFEUBSOLFSNS-CABCVRRESA-N 0 0 312.373 2.122 10 30 DEEERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000591682915 357750900 /nfs/dbraw/zinc/75/09/00/357750900.db2.gz RKVWFIQAMYIWKR-OCCSQVGLSA-N 0 0 314.320 2.023 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)CC(F)F ZINC000592067284 357822624 /nfs/dbraw/zinc/82/26/24/357822624.db2.gz CVVJOXYMJWIQIX-SECBINFHSA-N 0 0 302.346 2.436 10 30 DEEERN C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)CC(F)F ZINC000592067845 357823620 /nfs/dbraw/zinc/82/36/20/357823620.db2.gz VKOIHZSGWWTFLO-JTQLQIEISA-N 0 0 302.346 2.269 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ncn(CC(=O)OC(C)(C)C)n1 ZINC000592652670 357920293 /nfs/dbraw/zinc/92/02/93/357920293.db2.gz ICBQXBSNJXORPM-NSHDSACASA-N 0 0 308.382 2.161 10 30 DEEERN CSCC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000179493926 199045327 /nfs/dbraw/zinc/04/53/27/199045327.db2.gz GKFGQFUTPJRRAS-UHFFFAOYSA-N 0 0 305.403 2.122 10 30 DEEERN C=C[C@](C)(CC)C(=O)Nc1ncn(CC(=O)OC(C)(C)C)n1 ZINC000592655085 357921017 /nfs/dbraw/zinc/92/10/17/357921017.db2.gz VDKBOISOAVDWHG-OAHLLOKOSA-N 0 0 308.382 2.161 10 30 DEEERN C=CCC(CC=C)C(=O)Nc1ncn(CC(=O)OC(C)(C)C)n1 ZINC000592655121 357921042 /nfs/dbraw/zinc/92/10/42/357921042.db2.gz LWMJRPOUWIXAGS-UHFFFAOYSA-N 0 0 320.393 2.327 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000184947610 199785605 /nfs/dbraw/zinc/78/56/05/199785605.db2.gz LOGGCVUDJDTFPK-CYBMUJFWSA-N 0 0 303.362 2.020 10 30 DEEERN C=CCCn1cc(C[S@@](=O)Cc2csc(CC)n2)nn1 ZINC000593937298 358174869 /nfs/dbraw/zinc/17/48/69/358174869.db2.gz SZWKRNOUBBCQMY-HXUWFJFHSA-N 0 0 310.448 2.322 10 30 DEEERN C=CCCn1cc(COc2ccc(C(=O)OC)c(OC)c2)nn1 ZINC000594448186 358274947 /nfs/dbraw/zinc/27/49/47/358274947.db2.gz FEWDKGYGNHBHBY-UHFFFAOYSA-N 0 0 317.345 2.228 10 30 DEEERN C=CCCn1cc(CS(=O)(=O)CCCC(C)(C)C#N)nn1 ZINC000594571749 358295586 /nfs/dbraw/zinc/29/55/86/358295586.db2.gz HZJZKSJLCJQAEV-UHFFFAOYSA-N 0 0 310.423 2.099 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccccc1-c1nncn1CC ZINC000185292538 199834407 /nfs/dbraw/zinc/83/44/07/199834407.db2.gz SVUGFUAFIQKZFS-LBPRGKRZSA-N 0 0 315.377 2.024 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cncc(C#N)c1 ZINC000594790143 358337093 /nfs/dbraw/zinc/33/70/93/358337093.db2.gz SIAHGURXHRBAJN-DZGCQCFKSA-N 0 0 305.403 2.366 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)CC(C)(C)C(=O)OC ZINC000594789301 358337298 /nfs/dbraw/zinc/33/72/98/358337298.db2.gz KVJVDKHBNWVJCE-OLZOCXBDSA-N 0 0 317.451 2.240 10 30 DEEERN C=CCCSCCNS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000594816342 358342849 /nfs/dbraw/zinc/34/28/49/358342849.db2.gz AJZUIYCNKQPBFF-UHFFFAOYSA-N 0 0 324.471 2.481 10 30 DEEERN C[C@@]1(CNS(=O)(=O)Cc2ccc(C#N)cc2)CC1(F)F ZINC000594853474 358349346 /nfs/dbraw/zinc/34/93/46/358349346.db2.gz YFXIZAPIJDFXKH-LBPRGKRZSA-N 0 0 300.330 2.023 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(C)sc1C(=O)OC ZINC000594985911 358374176 /nfs/dbraw/zinc/37/41/76/358374176.db2.gz PSNSECXBYZAMPN-UHFFFAOYSA-N 0 0 324.402 2.206 10 30 DEEERN C=CCOCCCNC(=O)N[C@@H]1CCC[C@@]1(C)C(=O)OCC ZINC000595767601 358544435 /nfs/dbraw/zinc/54/44/35/358544435.db2.gz QDOQGYRQGADMEL-CZUORRHYSA-N 0 0 312.410 2.000 10 30 DEEERN C=CCCSCCNC(=O)N[C@@H](CO)c1ccsc1 ZINC000595724573 358533188 /nfs/dbraw/zinc/53/31/88/358533188.db2.gz NXDSBURXXJKKOZ-LBPRGKRZSA-N 0 0 300.449 2.390 10 30 DEEERN C=CCOCCCNC(=O)Nc1ccc(C(=O)OC)cc1F ZINC000596730397 358748380 /nfs/dbraw/zinc/74/83/80/358748380.db2.gz ZZULSTFUAXDUKH-UHFFFAOYSA-N 0 0 310.325 2.327 10 30 DEEERN N#Cc1cc(Br)cnc1N1CC[C@H]2COC[C@@H]2C1 ZINC000596531810 358707482 /nfs/dbraw/zinc/70/74/82/358707482.db2.gz XJGOUSYDHGAMKZ-ONGXEEELSA-N 0 0 308.179 2.188 10 30 DEEERN C[C@]1(C#N)CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000596531510 358707672 /nfs/dbraw/zinc/70/76/72/358707672.db2.gz WBSOPAJOQOWNBM-LLVKDONJSA-N 0 0 311.139 2.492 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000596641993 358730342 /nfs/dbraw/zinc/73/03/42/358730342.db2.gz RTMQSJVXCAPZHG-HNNXBMFYSA-N 0 0 318.373 2.191 10 30 DEEERN CC(=O)N(C)C1CCN(C(=O)NCC2(C#N)CCCCC2)CC1 ZINC000596866894 358779042 /nfs/dbraw/zinc/77/90/42/358779042.db2.gz RDOHVICPEWBKPN-UHFFFAOYSA-N 0 0 320.437 2.113 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)Nc1cncc(OCCC)c1 ZINC000627213121 366481135 /nfs/dbraw/zinc/48/11/35/366481135.db2.gz VPEDHXAXOTVFAV-UHFFFAOYSA-N 0 0 303.362 2.010 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000597273438 358875784 /nfs/dbraw/zinc/87/57/84/358875784.db2.gz GRHLLASAUVWSIR-AWEZNQCLSA-N 0 0 305.422 2.438 10 30 DEEERN C=CCCC1(CNC(=O)C(=O)NC[C@@H](C)SC)CCCC1 ZINC000597297096 358881893 /nfs/dbraw/zinc/88/18/93/358881893.db2.gz BHJRUFLZZRFBFP-CYBMUJFWSA-N 0 0 312.479 2.497 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)Nc1cc(C)nn1CC ZINC000627356203 366507536 /nfs/dbraw/zinc/50/75/36/366507536.db2.gz BNPUYSSIATZWEM-UHFFFAOYSA-N 0 0 306.410 2.355 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000597473984 358927903 /nfs/dbraw/zinc/92/79/03/358927903.db2.gz ITBHNOYSWKPHIH-BXUZGUMPSA-N 0 0 319.361 2.243 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1CCc2cc(N)ccc21 ZINC000627428167 366522643 /nfs/dbraw/zinc/52/26/43/366522643.db2.gz XXUGWSUIAXIOID-HNNXBMFYSA-N 0 0 315.417 2.091 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000185841815 199894253 /nfs/dbraw/zinc/89/42/53/199894253.db2.gz VTHIZVFPLAYGNO-CQSZACIVSA-N 0 0 305.374 2.309 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000185862475 199897063 /nfs/dbraw/zinc/89/70/63/199897063.db2.gz ALAGSBLWQQATNY-UHFFFAOYSA-N 0 0 319.409 2.146 10 30 DEEERN CN1CCOC[C@@H]1CNc1ccc(C#N)cc1Br ZINC000599160936 359419641 /nfs/dbraw/zinc/41/96/41/359419641.db2.gz MAIIHIACSRCSNG-NSHDSACASA-N 0 0 310.195 2.063 10 30 DEEERN CN1CCOC[C@H]1CNc1ccc(C#N)cc1Br ZINC000599160935 359420103 /nfs/dbraw/zinc/42/01/03/359420103.db2.gz MAIIHIACSRCSNG-LLVKDONJSA-N 0 0 310.195 2.063 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)COCC(F)F ZINC000599200506 359431769 /nfs/dbraw/zinc/43/17/69/359431769.db2.gz UWBNNMGVKOAISN-UHFFFAOYSA-N 0 0 314.288 2.391 10 30 DEEERN C=CCn1c(COC)nnc1N1CCc2c(CC#N)cccc2C1 ZINC000599223820 359436139 /nfs/dbraw/zinc/43/61/39/359436139.db2.gz XBIAONHCPLDWMP-UHFFFAOYSA-N 0 0 323.400 2.239 10 30 DEEERN C=CCN(CC=C)C(=O)CN1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000599499189 359512646 /nfs/dbraw/zinc/51/26/46/359512646.db2.gz XGUVOFSMLILOPD-GOSISDBHSA-N 0 0 322.449 2.383 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000599374437 359481447 /nfs/dbraw/zinc/48/14/47/359481447.db2.gz JOTPGALRAQSFHG-JTQLQIEISA-N 0 0 312.341 2.423 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000599378200 359483750 /nfs/dbraw/zinc/48/37/50/359483750.db2.gz HHMDKSMUXARQPJ-LBPRGKRZSA-N 0 0 308.378 2.425 10 30 DEEERN C=C[C@@H](C(=O)OC)N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000599644293 359553790 /nfs/dbraw/zinc/55/37/90/359553790.db2.gz QIMYUTXMDJLZIH-AWEZNQCLSA-N 0 0 319.405 2.319 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000599996007 359630980 /nfs/dbraw/zinc/63/09/80/359630980.db2.gz XXVMEVVKVJKNKN-UHFFFAOYSA-N 0 0 303.337 2.354 10 30 DEEERN C=CC[C@H](C(=O)NCCCN1CCCC1=O)c1ccccc1 ZINC000187281208 200088322 /nfs/dbraw/zinc/08/83/22/200088322.db2.gz UAKILZVRTGQSND-INIZCTEOSA-N 0 0 300.402 2.475 10 30 DEEERN C=C[C@H](CC(=O)N1CC[C@@](OC)(C(=O)OC)C1)c1ccccc1 ZINC000600289774 359714502 /nfs/dbraw/zinc/71/45/02/359714502.db2.gz ZKRLCWUZXFKLFJ-KDOFPFPSSA-N 0 0 317.385 2.137 10 30 DEEERN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCO[C@H]1C ZINC000188200617 200208497 /nfs/dbraw/zinc/20/84/97/200208497.db2.gz LHMWUHYTDHQRJB-WMLDXEAASA-N 0 0 316.401 2.348 10 30 DEEERN C=CCNC(=O)Nc1ccc(NC[C@H](O)CC2(C#N)CC2)cc1 ZINC000600739154 359816870 /nfs/dbraw/zinc/81/68/70/359816870.db2.gz NBOGCBVQSCMQQW-OAHLLOKOSA-N 0 0 314.389 2.461 10 30 DEEERN C=CCC1(C(=O)N2CCO[C@@H](c3nnc(CC)[nH]3)C2)CCC1 ZINC000188399018 200240138 /nfs/dbraw/zinc/24/01/38/200240138.db2.gz PUXDMWULQDFURZ-GFCCVEGCSA-N 0 0 304.394 2.013 10 30 DEEERN CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000627626448 366571867 /nfs/dbraw/zinc/57/18/67/366571867.db2.gz CBLLGPLSWHPLEA-XJKSGUPXSA-N 0 0 316.401 2.029 10 30 DEEERN N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)cc1O ZINC000188597758 200272519 /nfs/dbraw/zinc/27/25/19/200272519.db2.gz LEHXHZHZBADKFM-CABCVRRESA-N 0 0 310.357 2.374 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@H](C(=O)OC(C)(C)C)C(C)C)C1=O ZINC000601072008 359912520 /nfs/dbraw/zinc/91/25/20/359912520.db2.gz ZAWLDIMPSCZCTP-QWHCGFSZSA-N 0 0 324.421 2.487 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC3=O)C1 ZINC000627733627 366603472 /nfs/dbraw/zinc/60/34/72/366603472.db2.gz ZCIWHICMJJEEIS-LBPRGKRZSA-N 0 0 312.369 2.179 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(N(C)C)c2)C1 ZINC000627733307 366603633 /nfs/dbraw/zinc/60/36/33/366603633.db2.gz QSVXBPTYWGOJLK-LBPRGKRZSA-N 0 0 319.380 2.255 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC)cc2C)C1 ZINC000627735158 366604438 /nfs/dbraw/zinc/60/44/38/366604438.db2.gz MFNDDGGQGDMQJU-CYBMUJFWSA-N 0 0 302.374 2.367 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cccc(OCC)c2)C1 ZINC000627735203 366604698 /nfs/dbraw/zinc/60/46/98/366604698.db2.gz NHYIDOALTHJUOR-ZDUSSCGKSA-N 0 0 302.374 2.448 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(SC)nc2)C1 ZINC000627735522 366604750 /nfs/dbraw/zinc/60/47/50/366604750.db2.gz VJIOUCCHSDLSKR-LLVKDONJSA-N 0 0 305.403 2.167 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCCO3)C1 ZINC000627735543 366605024 /nfs/dbraw/zinc/60/50/24/366605024.db2.gz VRESLGBMWPBWIX-ZDUSSCGKSA-N 0 0 314.385 2.375 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000627736389 366606701 /nfs/dbraw/zinc/60/67/01/366606701.db2.gz WNDBAGUOGVNSBQ-CYBMUJFWSA-N 0 0 300.358 2.252 10 30 DEEERN C=C(C)C[C@@H](Nc1cc(C(C)C)nc2ncnn21)C(=O)OC ZINC000601227674 359973232 /nfs/dbraw/zinc/97/32/32/359973232.db2.gz QQEDFOQUYVGNLL-GFCCVEGCSA-N 0 0 303.366 2.167 10 30 DEEERN C=CCN(CCC#N)C(=O)c1c(C)c(Br)c[nH]c1=O ZINC000601589540 360080781 /nfs/dbraw/zinc/08/07/81/360080781.db2.gz GTEQPKOUYZEHEU-UHFFFAOYSA-N 0 0 324.178 2.400 10 30 DEEERN C=C(C)C[C@@H](NC(=O)COc1cc(C)cc(C)c1)C(=O)OC ZINC000601772759 360141957 /nfs/dbraw/zinc/14/19/57/360141957.db2.gz QNNBJMXQSPDYFH-OAHLLOKOSA-N 0 0 305.374 2.306 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc2ccc(OC)cc2[nH]1)C(=O)OC ZINC000601780634 360144652 /nfs/dbraw/zinc/14/46/52/360144652.db2.gz ZMZWSKYEGBJRLM-OAHLLOKOSA-N 0 0 316.357 2.414 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000601782926 360146633 /nfs/dbraw/zinc/14/66/33/360146633.db2.gz SVEJGVNXWRDNMT-CQSZACIVSA-N 0 0 320.345 2.151 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1CCc2cc(C)ccc2O1)C(=O)OC ZINC000601784052 360147639 /nfs/dbraw/zinc/14/76/39/360147639.db2.gz ZKKLRAACGBWVTR-ZBFHGGJFSA-N 0 0 317.385 2.313 10 30 DEEERN C=C(C)Cn1c(-c2cc[nH]n2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC000601869913 360179306 /nfs/dbraw/zinc/17/93/06/360179306.db2.gz HSWITTDRMACALZ-OCCSQVGLSA-N 0 0 311.393 2.373 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC000602048566 360250526 /nfs/dbraw/zinc/25/05/26/360250526.db2.gz BOGJSKKQHJHJJB-LLVKDONJSA-N 0 0 301.321 2.060 10 30 DEEERN Cc1noc(C)c1CCNC(=O)NCC1CCC(C#N)CC1 ZINC000441003041 238000926 /nfs/dbraw/zinc/00/09/26/238000926.db2.gz WSDNSROHOMTMOT-UHFFFAOYSA-N 0 0 304.394 2.463 10 30 DEEERN C=C(C)C[C@@H](NCc1cc(OC)c(OC)cc1F)C(=O)OC ZINC000602740628 360529604 /nfs/dbraw/zinc/52/96/04/360529604.db2.gz XZBQLQFZINKBEC-CYBMUJFWSA-N 0 0 311.353 2.440 10 30 DEEERN C[C@@H](O)C[C@H](CNC(=O)c1ccnc(C#N)c1)c1ccccc1 ZINC000193526806 201068874 /nfs/dbraw/zinc/06/88/74/201068874.db2.gz CGYDHHMXLQJDMH-CZUORRHYSA-N 0 0 309.369 2.238 10 30 DEEERN N#C[C@@H](NC(=O)c1ccc(OC2CCOCC2)cc1)C1CC1 ZINC000610240064 361371787 /nfs/dbraw/zinc/37/17/87/361371787.db2.gz KGKIOIDHWXCJIA-MRXNPFEDSA-N 0 0 300.358 2.276 10 30 DEEERN COCCN(CCC#N)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000610387520 361391525 /nfs/dbraw/zinc/39/15/25/361391525.db2.gz ZJMQOMZLDBIJSZ-JSGCOSHPSA-N 0 0 308.328 2.457 10 30 DEEERN N#Cc1cc(C(=O)NCC2([C@@H](O)c3ccccc3)CC2)ccn1 ZINC000193662312 201097559 /nfs/dbraw/zinc/09/75/59/201097559.db2.gz SOTJQGIINFXGAJ-INIZCTEOSA-N 0 0 307.353 2.197 10 30 DEEERN N#Cc1ccc(CNC(=O)Cn2cc3ccccc3n2)c(F)c1 ZINC000610497808 361411047 /nfs/dbraw/zinc/41/10/47/361411047.db2.gz HQXQZVKDIOCDMY-UHFFFAOYSA-N 0 0 308.316 2.363 10 30 DEEERN CCOC(=O)CN(C(=O)Cc1ccc(C#N)cc1)C(C)(C)C ZINC000193838533 201131599 /nfs/dbraw/zinc/13/15/99/201131599.db2.gz MRNDFKFVHXPBRY-UHFFFAOYSA-N 0 0 302.374 2.291 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000610495590 361409887 /nfs/dbraw/zinc/40/98/87/361409887.db2.gz AVGXFHSBKNKVTM-JYJNAYRXSA-N 0 0 311.385 2.100 10 30 DEEERN N#Cc1cccc(CC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000610870498 361482345 /nfs/dbraw/zinc/48/23/45/361482345.db2.gz JBSUENJYXUYTNI-NVXWUHKLSA-N 0 0 316.426 2.272 10 30 DEEERN C[C@H](C#N)NC(=O)c1cccc(F)c1I ZINC000611002495 361510367 /nfs/dbraw/zinc/51/03/67/361510367.db2.gz SXZRBAISTHEMTA-ZCFIWIBFSA-N 0 0 318.089 2.072 10 30 DEEERN C[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)c1ccncc1 ZINC000611025366 361514703 /nfs/dbraw/zinc/51/47/03/361514703.db2.gz UQMSITXIHFEPNW-NSHDSACASA-N 0 0 319.361 2.174 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](CO)CC1CC1 ZINC000611295624 361574224 /nfs/dbraw/zinc/57/42/24/361574224.db2.gz GETRECACOLCYPN-NVXWUHKLSA-N 0 0 316.401 2.239 10 30 DEEERN CCO[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000611538523 361626025 /nfs/dbraw/zinc/62/60/25/361626025.db2.gz RXPIZMLWIJFHMC-SUMWQHHRSA-N 0 0 324.421 2.276 10 30 DEEERN CC(C)C[C@H](C#N)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000611544269 361627379 /nfs/dbraw/zinc/62/73/79/361627379.db2.gz GAOXEPBHWZHPBX-WBMJQRKESA-N 0 0 307.394 2.303 10 30 DEEERN Cc1nc(CN(C)C(=O)c2cc3ccccc3n2CC#N)no1 ZINC000611593221 361642934 /nfs/dbraw/zinc/64/29/34/361642934.db2.gz AODJKWWIZHMFAV-UHFFFAOYSA-N 0 0 309.329 2.129 10 30 DEEERN C=C1CCN(c2nnc(-c3cc[nH]n3)n2C[C@H]2CCCO2)CC1 ZINC000611903828 361703064 /nfs/dbraw/zinc/70/30/64/361703064.db2.gz YGULMBPGOYUBKU-CYBMUJFWSA-N 0 0 314.393 2.004 10 30 DEEERN Cc1nccc(CSCC(=O)NCc2ccc(C#N)cc2)n1 ZINC000619469710 363806113 /nfs/dbraw/zinc/80/61/13/363806113.db2.gz LQDIGFXHUORTBP-UHFFFAOYSA-N 0 0 312.398 2.206 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NC[C@@H](C)c1ccccn1 ZINC000612037346 361729104 /nfs/dbraw/zinc/72/91/04/361729104.db2.gz KINQDGQLJFCBJE-CQSZACIVSA-N 0 0 303.406 2.164 10 30 DEEERN C[C@H](C(=O)NCCC(C)(C)c1ccccc1)n1cnc(C#N)n1 ZINC000619588367 363835164 /nfs/dbraw/zinc/83/51/64/363835164.db2.gz YUBVJBBFBGMWOD-CYBMUJFWSA-N 0 0 311.389 2.195 10 30 DEEERN C=C[C@H](C(=O)OC)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000619717545 363863020 /nfs/dbraw/zinc/86/30/20/363863020.db2.gz PDFOTFYTZBWPLN-MRXNPFEDSA-N 0 0 300.358 2.129 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@](F)(C#N)C1 ZINC000619742769 363869581 /nfs/dbraw/zinc/86/95/81/363869581.db2.gz OUTRGEUFEHXQJK-INIZCTEOSA-N 0 0 315.352 2.284 10 30 DEEERN N#Cc1cc(O)cc(C(=O)N2CCOc3cccc(F)c3C2)c1 ZINC000619777683 363874712 /nfs/dbraw/zinc/87/47/12/363874712.db2.gz MEBZYIXJVCGVOJ-UHFFFAOYSA-N 0 0 312.300 2.438 10 30 DEEERN C=CCC1(C(=O)NCCN2C[C@@H]3CCCCN3C2=O)CCC1 ZINC000620104675 363957041 /nfs/dbraw/zinc/95/70/41/363957041.db2.gz DWKUZPRIWZWMNK-AWEZNQCLSA-N 0 0 305.422 2.139 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2sc(C)cn2c1=O ZINC000620305886 364013600 /nfs/dbraw/zinc/01/36/00/364013600.db2.gz USLWYNOICLPREW-TXEJJXNPSA-N 0 0 315.398 2.388 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](OC)C1CCCCC1 ZINC000620381613 364032569 /nfs/dbraw/zinc/03/25/69/364032569.db2.gz MKXBIJNMLFZKNJ-JKSUJKDBSA-N 0 0 310.438 2.169 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)N2CC(CC3CC3)C2)c1 ZINC000621673196 364499700 /nfs/dbraw/zinc/49/97/00/364499700.db2.gz JYEYJIIZEJFAMV-UHFFFAOYSA-N 0 0 314.385 2.448 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CNC(=O)NCc2ccc(F)cc2)C1 ZINC000628484477 366863687 /nfs/dbraw/zinc/86/36/87/366863687.db2.gz NRENJNCBEQTHQO-AWEZNQCLSA-N 0 0 319.380 2.050 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Cn2cnc3c(C)cccc3c2=O)C1 ZINC000628483933 366863997 /nfs/dbraw/zinc/86/39/97/366863997.db2.gz AEVKXILCUOTNFB-AWEZNQCLSA-N 0 0 311.385 2.130 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CNC(=O)c2ccc(F)c(F)c2)C1 ZINC000628491167 366865479 /nfs/dbraw/zinc/86/54/79/366865479.db2.gz QPDUZACYRZFPIX-NSHDSACASA-N 0 0 308.328 2.119 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@]2(c3ccccc3)CCC(=O)NC2)C1 ZINC000628492668 366866380 /nfs/dbraw/zinc/86/63/80/366866380.db2.gz ZGSIRKUNCFAZKL-DNVCBOLYSA-N 0 0 312.413 2.259 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000622829686 364807397 /nfs/dbraw/zinc/80/73/97/364807397.db2.gz MHKAODUUAATTOJ-CQSZACIVSA-N 0 0 302.378 2.072 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCOc2ccccc2[C@H]1C ZINC000622988444 364848403 /nfs/dbraw/zinc/84/84/03/364848403.db2.gz GSWUTNFDPSMEBM-CJNGLKHVSA-N 0 0 316.401 2.440 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1Cc2ccccc2OC[C@@H]1C ZINC000622843695 364811058 /nfs/dbraw/zinc/81/10/58/364811058.db2.gz GJWXIFLKHQLPHQ-BBRMVZONSA-N 0 0 316.401 2.267 10 30 DEEERN C=CCC1(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CCCC1 ZINC000449063039 240004347 /nfs/dbraw/zinc/00/43/47/240004347.db2.gz ZXCITIXOJDEHGQ-UHFFFAOYSA-N 0 0 322.430 2.087 10 30 DEEERN C=CC(C)(C)CCNC(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000623403688 365017507 /nfs/dbraw/zinc/01/75/07/365017507.db2.gz CZFDDFSKNGPNIF-OAHLLOKOSA-N 0 0 311.470 2.245 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000623472531 365042863 /nfs/dbraw/zinc/04/28/63/365042863.db2.gz SAKHUNUYABJZTP-QWHCGFSZSA-N 0 0 319.371 2.478 10 30 DEEERN O=C(NCc1ccc(Cl)cc1)c1ccncc1C#CCO ZINC000091457787 193058604 /nfs/dbraw/zinc/05/86/04/193058604.db2.gz GMMHWRKPUCYRSO-UHFFFAOYSA-N 0 0 300.745 2.009 10 30 DEEERN CC[C@H](NC(=O)c1ccncc1C#CCO)c1cccs1 ZINC000091458629 193058738 /nfs/dbraw/zinc/05/87/38/193058738.db2.gz GLKWBDBPPTZVJK-AWEZNQCLSA-N 0 0 300.383 2.368 10 30 DEEERN C=CC[C@@H](CC)NC(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC000623991059 365246470 /nfs/dbraw/zinc/24/64/70/365246470.db2.gz WZXJRWOOBPQSGH-GFCCVEGCSA-N 0 0 303.362 2.285 10 30 DEEERN COc1ccccc1CC(=O)N1CCC(C#N)(SC)CC1 ZINC000091473193 193061743 /nfs/dbraw/zinc/06/17/43/193061743.db2.gz CIMHYIZYTZQLGC-UHFFFAOYSA-N 0 0 304.415 2.485 10 30 DEEERN N#Cc1ccc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000092047883 193147703 /nfs/dbraw/zinc/14/77/03/193147703.db2.gz FXSYUQVPSOKLFS-UHFFFAOYSA-N 0 0 312.329 2.382 10 30 DEEERN Cc1nc2sccn2c1CN(C)C(=O)c1ccc(C#N)n1C ZINC000449839683 241152119 /nfs/dbraw/zinc/15/21/19/241152119.db2.gz CQOCBWKGYUFUQQ-UHFFFAOYSA-N 0 0 313.386 2.187 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C(=O)OCC)c1ccccc1 ZINC000449952896 241290813 /nfs/dbraw/zinc/29/08/13/241290813.db2.gz XAJFMRVFLWLOQZ-OAGGEKHMSA-N 0 0 317.385 2.041 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NCC(F)(F)CC)cc2C1=O ZINC000628847937 366988401 /nfs/dbraw/zinc/98/84/01/366988401.db2.gz RNJJWYIMJNQSFO-UHFFFAOYSA-N 0 0 322.311 2.244 10 30 DEEERN COC[C@H](NC(=O)c1cc(C#N)[nH]c1C)c1ccc(F)cc1 ZINC000450006270 241345638 /nfs/dbraw/zinc/34/56/38/241345638.db2.gz ROCISYVIKAMFCM-HNNXBMFYSA-N 0 0 301.321 2.451 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)Nc1cnc(OC)c(OC)c1 ZINC000629254370 367134556 /nfs/dbraw/zinc/13/45/56/367134556.db2.gz KMMZDRQOTCJUHX-GFCCVEGCSA-N 0 0 307.394 2.324 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)NCC(=O)c1ccc(F)cc1Cl ZINC000629367166 367175959 /nfs/dbraw/zinc/17/59/59/367175959.db2.gz LLYMPVCBIXVVAB-RISCZKNCSA-N 0 0 311.740 2.369 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(C[C@@H]2Cc3ccccc3CO2)C1=O ZINC000629481539 367216084 /nfs/dbraw/zinc/21/60/84/367216084.db2.gz LYSHIIWFMUSCDR-GJZGRUSLSA-N 0 0 300.358 2.015 10 30 DEEERN C=CCCn1cc(C(=O)N2CC(Cc3cccs3)C2)nn1 ZINC000629628408 367279796 /nfs/dbraw/zinc/27/97/96/367279796.db2.gz JJFJIPMFGZRVNS-UHFFFAOYSA-N 0 0 302.403 2.230 10 30 DEEERN C=C(C)COc1cc(CN2CCC[C@@H]2C(=O)NC)ccc1OC ZINC000092100218 193157858 /nfs/dbraw/zinc/15/78/58/193157858.db2.gz PFDKJKZCYRDZOP-OAHLLOKOSA-N 0 0 318.417 2.361 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1COc2ccc(O)cc2O1 ZINC000630852508 367880521 /nfs/dbraw/zinc/88/05/21/367880521.db2.gz SSNUFGMUEBAQLT-LBPRGKRZSA-N 0 0 317.263 2.109 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H](C)Oc2ccc(OC)cc2)C1=O ZINC000630970476 367942443 /nfs/dbraw/zinc/94/24/43/367942443.db2.gz MXEPFLWSOZJVTB-WFASDCNBSA-N 0 0 318.373 2.349 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccc(OCC)c(OC)c2)C1=O ZINC000630969054 367942881 /nfs/dbraw/zinc/94/28/81/367942881.db2.gz XXFYMCFKYSUBRX-ZDUSSCGKSA-N 0 0 318.373 2.481 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2COc3cc(F)ccc3C2)C1=O ZINC000630986273 367952026 /nfs/dbraw/zinc/95/20/26/367952026.db2.gz IIIYHBJDVOPCFK-STQMWFEESA-N 0 0 304.321 2.016 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC[C@@H](C)CCO ZINC000452248167 244071227 /nfs/dbraw/zinc/07/12/27/244071227.db2.gz ORUHGEHXVNNBRG-RHSMWYFYSA-N 0 0 318.417 2.486 10 30 DEEERN Cc1cc(C(=O)N(C)CC(F)(F)F)sc1C#CCCO ZINC000094534129 193377481 /nfs/dbraw/zinc/37/74/81/193377481.db2.gz BOPNAWPGNSRHLB-UHFFFAOYSA-N 0 0 305.321 2.425 10 30 DEEERN N#Cc1ccc(NC(=O)C[S@](=O)c2cccc(F)c2)cc1 ZINC000094627006 193385244 /nfs/dbraw/zinc/38/52/44/193385244.db2.gz ZFQDQWQDHPCMMA-OAQYLSRUSA-N 0 0 302.330 2.444 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC[C@H](CO)[C@@H]2CC)cc1OC ZINC000452944677 244757655 /nfs/dbraw/zinc/75/76/55/244757655.db2.gz VHSYDMOHTGYGPS-CABCVRRESA-N 0 0 319.401 2.493 10 30 DEEERN COC(=O)COc1cc2c(Cl)c(C#N)cnc2cc1OC ZINC000095938018 193451326 /nfs/dbraw/zinc/45/13/26/193451326.db2.gz XCATUHBYTRDKCR-UHFFFAOYSA-N 0 0 306.705 2.320 10 30 DEEERN COc1ccccc1C#CCNC(=O)COc1ccc(F)cc1 ZINC000096345673 193615179 /nfs/dbraw/zinc/61/51/79/193615179.db2.gz NVLQCMHFDJBVPV-UHFFFAOYSA-N 0 0 313.328 2.381 10 30 DEEERN C=CCN(Cc1ccccc1)c1nnc(-c2nnn(C)c2C)n1C ZINC000453411746 245121891 /nfs/dbraw/zinc/12/18/91/245121891.db2.gz AYVYWXAWAYFHGL-UHFFFAOYSA-N 0 0 323.404 2.112 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1OC ZINC000453923789 245356202 /nfs/dbraw/zinc/35/62/02/245356202.db2.gz XBZNMGIBXHALSJ-HZPDHXFCSA-N 0 0 316.401 2.427 10 30 DEEERN C=CC(C)(C)CNC(=O)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000453880637 245336162 /nfs/dbraw/zinc/33/61/62/245336162.db2.gz NDVMHXMFKKORHR-UHFFFAOYSA-N 0 0 301.346 2.403 10 30 DEEERN C=C(Br)CN1C(=O)[C@H](CC(C)C)NC(=O)[C@H]1CC ZINC000161575364 197505075 /nfs/dbraw/zinc/50/50/75/197505075.db2.gz VEZXFWVBAWPAPV-WDEREUQCSA-N 0 0 317.227 2.047 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000154406052 291587989 /nfs/dbraw/zinc/58/79/89/291587989.db2.gz FCCMZSKWIFHCGR-UHFFFAOYSA-N 0 0 319.320 2.345 10 30 DEEERN C=CCC1(CNC(=O)N[C@H]2CCN(C(=O)NCC)C2)CCCC1 ZINC000454691793 246070684 /nfs/dbraw/zinc/07/06/84/246070684.db2.gz ZVZDOFJGKQZDKO-AWEZNQCLSA-N 0 0 322.453 2.226 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000456753909 247399990 /nfs/dbraw/zinc/39/99/90/247399990.db2.gz BABSQCOUWCXYNR-AWEZNQCLSA-N 0 0 318.348 2.467 10 30 DEEERN C[C@@H]1CCc2c(sc3nc(CN(C)C)n(CC#N)c(=O)c23)C1 ZINC000036069555 182794303 /nfs/dbraw/zinc/79/43/03/182794303.db2.gz USZLTROISVVUNJ-SNVBAGLBSA-N 0 0 316.430 2.168 10 30 DEEERN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1ccccc1OCCO ZINC000457626424 247913464 /nfs/dbraw/zinc/91/34/64/247913464.db2.gz HLCPMCAQVMMANR-RDJZCZTQSA-N 0 0 319.401 2.045 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@@H](C)Cc1cccc(OC)c1 ZINC000458397770 248291093 /nfs/dbraw/zinc/29/10/93/248291093.db2.gz XOTWWDBOHQDJAC-DZGCQCFKSA-N 0 0 306.406 2.253 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@@H](CC)c1c(C)nn(C)c1C ZINC000458463039 248320465 /nfs/dbraw/zinc/32/04/65/248320465.db2.gz AETLENFDPQKMKL-KGLIPLIRSA-N 0 0 308.426 2.114 10 30 DEEERN C=CCC1(NC(=O)N[C@H]2CCN(C(=O)NCC)C2)CCCCC1 ZINC000458541371 248364668 /nfs/dbraw/zinc/36/46/68/248364668.db2.gz JDQZEOBWILRHIC-AWEZNQCLSA-N 0 0 322.453 2.368 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N(CC(F)F)C1CCS(=O)(=O)CC1 ZINC000487054484 248744954 /nfs/dbraw/zinc/74/49/54/248744954.db2.gz DNJNLPMJUUVYPP-LLVKDONJSA-N 0 0 323.405 2.260 10 30 DEEERN COCC(/C=N/NC(=S)SC)=C\c1ccc([N+](=O)[O-])o1 ZINC000038802305 183010028 /nfs/dbraw/zinc/01/00/28/183010028.db2.gz IHZVNLCJBRYDKS-JFZKZVACSA-N 0 0 315.376 2.441 10 30 DEEERN CCN(CC)C(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000041257430 183181613 /nfs/dbraw/zinc/18/16/13/183181613.db2.gz JCJHKGTZWIMIRS-ZDUSSCGKSA-N 0 0 306.435 2.392 10 30 DEEERN NC(=O)c1ccc(OCc2ccc(C#CCCO)s2)cc1 ZINC000043682824 183380165 /nfs/dbraw/zinc/38/01/65/183380165.db2.gz ROVGGJAGTBEZOL-UHFFFAOYSA-N 0 0 301.367 2.160 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000274293643 211492998 /nfs/dbraw/zinc/49/29/98/211492998.db2.gz CFIQRAURPOVDIQ-HOCLYGCPSA-N 0 0 315.417 2.291 10 30 DEEERN Cc1noc([C@H]2CN(c3ccc(Cl)cc3C#N)CCN2C)n1 ZINC000284611856 218100205 /nfs/dbraw/zinc/10/02/05/218100205.db2.gz RRCQUSJMRFEMDC-CQSZACIVSA-N 0 0 317.780 2.396 10 30 DEEERN Cc1noc([C@H]2CN(c3ccc(C#N)c(Cl)c3)CCN2C)n1 ZINC000284675476 218128699 /nfs/dbraw/zinc/12/86/99/218128699.db2.gz WVNLZWAGYRZMRQ-CQSZACIVSA-N 0 0 317.780 2.396 10 30 DEEERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1ccc(C#N)[nH]1)CCCC2 ZINC000284753241 218163296 /nfs/dbraw/zinc/16/32/96/218163296.db2.gz ZEPRUSQVVIOYFB-INIZCTEOSA-N 0 0 323.400 2.476 10 30 DEEERN CC1(C)CN(c2nccnc2C#N)C[C@H](COc2ccccc2)O1 ZINC000284864640 218213320 /nfs/dbraw/zinc/21/33/20/218213320.db2.gz FOBFRGGSKKBLHG-OAHLLOKOSA-N 0 0 324.384 2.411 10 30 DEEERN C=CCCC(=O)N1CCN(Cc2c(Cl)n(C)nc2CC)CC1 ZINC000105838753 194144831 /nfs/dbraw/zinc/14/48/31/194144831.db2.gz LSODXOHYDUCRSX-UHFFFAOYSA-N 0 0 324.856 2.246 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159405159 197351523 /nfs/dbraw/zinc/35/15/23/197351523.db2.gz DZQALWQMHMLTHU-BDAKNGLRSA-N 0 0 314.311 2.294 10 30 DEEERN C=CCN[C@H](C(=O)OC)c1ccc(OC)c(OC(F)F)c1 ZINC000051961102 183843191 /nfs/dbraw/zinc/84/31/91/183843191.db2.gz CXRONZWIOKLFTF-LBPRGKRZSA-N 0 0 301.289 2.286 10 30 DEEERN CN(Cc1csc(C#CCCO)c1)S(=O)(=O)C(C)(C)C ZINC000111073222 194389291 /nfs/dbraw/zinc/38/92/91/194389291.db2.gz BOGZZZIOEFRQAJ-UHFFFAOYSA-N 0 0 315.460 2.042 10 30 DEEERN C=CCN(CC=C)C(=O)CCS(=O)(=O)Cc1ccccc1 ZINC000059244894 184135745 /nfs/dbraw/zinc/13/57/45/184135745.db2.gz AGDBHIKIHGRJGK-UHFFFAOYSA-N 0 0 307.415 2.192 10 30 DEEERN O=C(NCc1cccc(Cl)c1)c1ccc(C#CCO)cn1 ZINC000061863241 184190666 /nfs/dbraw/zinc/19/06/66/184190666.db2.gz LFJPPLPWYDXNDV-UHFFFAOYSA-N 0 0 300.745 2.009 10 30 DEEERN CN[C@](C)(C#N)CCCSc1ccc(S(C)(=O)=O)cc1 ZINC000063131792 184272387 /nfs/dbraw/zinc/27/23/87/184272387.db2.gz JYKILWRKYBFSLE-AWEZNQCLSA-N 0 0 312.460 2.464 10 30 DEEERN COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)Cc1cccc(C#N)c1 ZINC000537903512 285020367 /nfs/dbraw/zinc/02/03/67/285020367.db2.gz OBONNZOZCNEJSF-QAPCUYQASA-N 0 0 314.385 2.339 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCc1ccnc(-n2ccnc2)c1)OCC ZINC000270098699 208157278 /nfs/dbraw/zinc/15/72/78/208157278.db2.gz QBHNAXBLZULLKE-OAHLLOKOSA-N 0 0 314.389 2.255 10 30 DEEERN C=CCN(CC=C)C(=O)CN1CCO[C@@H](c2ccc(C)o2)C1 ZINC000159095687 197326657 /nfs/dbraw/zinc/32/66/57/197326657.db2.gz CAUNIUFVUCIWRO-MRXNPFEDSA-N 0 0 304.390 2.162 10 30 DEEERN Cc1ccc(C(=O)N2CCSC(C)(C)C2)c(C#CCO)c1 ZINC000159021876 197319567 /nfs/dbraw/zinc/31/95/67/197319567.db2.gz QUIUBBFNUDETRY-UHFFFAOYSA-N 0 0 303.427 2.306 10 30 DEEERN COc1cc(OC)cc([C@@H](O)CNc2ccc(C)c(C#N)n2)c1 ZINC000302666086 533085255 /nfs/dbraw/zinc/08/52/55/533085255.db2.gz QDVCTINEWIKFOO-INIZCTEOSA-N 0 0 313.357 2.424 10 30 DEEERN CC#CCCNS(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000158267400 197258196 /nfs/dbraw/zinc/25/81/96/197258196.db2.gz SNJKBYRIUFRBST-UHFFFAOYSA-N 0 0 307.202 2.267 10 30 DEEERN CC[C@H]1CN(C(=O)c2cc(F)ccc2C#CCO)CCS1 ZINC000157970070 197231031 /nfs/dbraw/zinc/23/10/31/197231031.db2.gz XLZZDYJIAKLHBM-AWEZNQCLSA-N 0 0 307.390 2.137 10 30 DEEERN N#C[C@]1([C@@H](O)c2ccc3ccccc3c2)CCS(=O)(=O)C1 ZINC000157644857 197204475 /nfs/dbraw/zinc/20/44/75/197204475.db2.gz XPJCWQWVPCKIHU-JKSUJKDBSA-N 0 0 301.367 2.202 10 30 DEEERN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H]1CC(C)(C)C ZINC000407955661 533141871 /nfs/dbraw/zinc/14/18/71/533141871.db2.gz RYLGKRHATOEQHL-STQMWFEESA-N 0 0 301.456 2.223 10 30 DEEERN O=C(NC[C@H]1CCCCS1)c1ccc(C#CCCO)s1 ZINC000156560568 197124127 /nfs/dbraw/zinc/12/41/27/197124127.db2.gz WHVNDVWJXILQNW-CYBMUJFWSA-N 0 0 309.456 2.498 10 30 DEEERN COc1ccc(C#CCO)cc1NC(=O)[C@H]1CCCCS1 ZINC000156272462 197100551 /nfs/dbraw/zinc/10/05/51/197100551.db2.gz LGFBPMFDRFUMQU-OAHLLOKOSA-N 0 0 305.399 2.263 10 30 DEEERN N#Cc1ccccc1OCC(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000155503907 197060737 /nfs/dbraw/zinc/06/07/37/197060737.db2.gz UVCZLJHRBLXLMJ-UHFFFAOYSA-N 0 0 319.324 2.361 10 30 DEEERN N#CCOc1ccc(CC(=O)N2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000120392060 195156807 /nfs/dbraw/zinc/15/68/07/195156807.db2.gz IZEIIRBSKVWPFU-DOTOQJQBSA-N 0 0 314.385 2.159 10 30 DEEERN C#CCSCCNC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000153397159 196875101 /nfs/dbraw/zinc/87/51/01/196875101.db2.gz YIGZWEBHEMGYSW-GFCCVEGCSA-N 0 0 322.430 2.430 10 30 DEEERN CCc1ccc(S(C)(=O)=O)cc1C(=O)NC1(C#N)CCCC1 ZINC000120415840 195161625 /nfs/dbraw/zinc/16/16/25/195161625.db2.gz AGNDPWYLRNXEOQ-UHFFFAOYSA-N 0 0 320.414 2.219 10 30 DEEERN Cc1ccc(OCCN(C)S(=O)(=O)CCCCC#N)cc1 ZINC000104108867 224558913 /nfs/dbraw/zinc/55/89/13/224558913.db2.gz ASWJBODBNNDYLQ-UHFFFAOYSA-N 0 0 310.419 2.329 10 30 DEEERN C=CCn1c(Sc2cnc(C#N)cn2)nnc1-c1ccncc1 ZINC000120952694 195271343 /nfs/dbraw/zinc/27/13/43/195271343.db2.gz DNEGMNJRZNSSMS-UHFFFAOYSA-N 0 0 321.369 2.339 10 30 DEEERN CC(=O)N[C@H]1CCN(c2cc(Br)ccc2C#N)C1 ZINC000123395530 195576369 /nfs/dbraw/zinc/57/63/69/195576369.db2.gz TZGKCZKLDLJGKK-LBPRGKRZSA-N 0 0 308.179 2.036 10 30 DEEERN Cn1nccc1C(=O)Nc1cc(Cl)ccc1C#CCCO ZINC000125383795 195742733 /nfs/dbraw/zinc/74/27/33/195742733.db2.gz ZYCKATMFQJAKIJ-UHFFFAOYSA-N 0 0 303.749 2.060 10 30 DEEERN CN(C)c1ncc(NC(=O)CSc2ccc(C#N)cc2)cn1 ZINC000125788032 195785245 /nfs/dbraw/zinc/78/52/45/195785245.db2.gz ALNMWBQJMZOOGG-UHFFFAOYSA-N 0 0 313.386 2.145 10 30 DEEERN C[C@@H](CC(=O)N[C@@H](C#N)C1CCCCC1)N1CCCCC1=O ZINC000189213669 533440714 /nfs/dbraw/zinc/44/07/14/533440714.db2.gz IJTGRYMSOXDNNV-ZFWWWQNUSA-N 0 0 305.422 2.366 10 30 DEEERN C=C(C)CN(C)c1nnc(-c2nnn(C)c2C)n1CC(C)C ZINC000453522792 533497066 /nfs/dbraw/zinc/49/70/66/533497066.db2.gz RZMLZFUAZJJVFH-UHFFFAOYSA-N 0 0 303.414 2.050 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000175196197 132513540 /nfs/dbraw/zinc/51/35/40/132513540.db2.gz YJLAPMQWDURRKM-MRXNPFEDSA-N 0 0 313.332 2.250 10 30 DEEERN N#Cc1cc(CNc2cc(-n3cnnn3)ccc2F)ccc1F ZINC000176971655 132524142 /nfs/dbraw/zinc/52/41/42/132524142.db2.gz WHQSJGQDMAYKKW-UHFFFAOYSA-N 0 0 312.283 2.424 10 30 DEEERN C[C@@H]1CC(CNS(=O)(=O)c2ccc(C#N)s2)C[C@@H](C)O1 ZINC000355510525 133030418 /nfs/dbraw/zinc/03/04/18/133030418.db2.gz KEUINEAUYZYWOO-NXEZZACHSA-N 0 0 314.432 2.102 10 30 DEEERN N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@H](CO)C1CC1 ZINC000357772844 133098859 /nfs/dbraw/zinc/09/88/59/133098859.db2.gz DEQCQRQKOFKUMB-SNVBAGLBSA-N 0 0 321.302 2.376 10 30 DEEERN N#Cc1ccc(N2CCC[C@H](Cc3nnc4ccccn43)C2)cn1 ZINC000373346309 133387594 /nfs/dbraw/zinc/38/75/94/133387594.db2.gz IZSRKBWZZUCCJH-CQSZACIVSA-N 0 0 318.384 2.455 10 30 DEEERN N#Cc1cccc(-c2c[nH]c(CNc3ccncc3C#N)n2)c1 ZINC000373460280 133392056 /nfs/dbraw/zinc/39/20/56/133392056.db2.gz IPJFHYHLDMHQEM-UHFFFAOYSA-N 0 0 300.325 2.249 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CCC(CC)(CO)CC2)cc1 ZINC000297171796 404483101 /nfs/dbraw/zinc/48/31/01/404483101.db2.gz AGRRRCSWXGJLBX-UHFFFAOYSA-N 0 0 300.402 2.362 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2cc(Cl)ccn2)cc1 ZINC000173901123 144851866 /nfs/dbraw/zinc/85/18/66/144851866.db2.gz AMAHWYKUCHMMMF-UHFFFAOYSA-N 0 0 301.733 2.415 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccnn1-c1cccc(F)c1 ZINC000183891112 144936786 /nfs/dbraw/zinc/93/67/86/144936786.db2.gz FXKMEAXYLKBYFV-UHFFFAOYSA-N 0 0 309.304 2.474 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000185923866 144971550 /nfs/dbraw/zinc/97/15/50/144971550.db2.gz MXNNRZJWTQZRKR-SFHVURJKSA-N 0 0 307.353 2.168 10 30 DEEERN N#Cc1cc(C(=O)Nc2ccc(Br)cn2)ccn1 ZINC000192821885 145079637 /nfs/dbraw/zinc/07/96/37/145079637.db2.gz MWMPBMYJTDILJB-UHFFFAOYSA-N 0 0 303.119 2.363 10 30 DEEERN C[C@H](COc1ccc(F)cc1F)NC(=O)c1ccnc(C#N)c1 ZINC000192881223 145080248 /nfs/dbraw/zinc/08/02/48/145080248.db2.gz GXZIJWGCPOYIHQ-SNVBAGLBSA-N 0 0 317.295 2.429 10 30 DEEERN N#Cc1cc(C(=O)NCc2ccc3c(c2)OCCCO3)ccn1 ZINC000193118246 145082463 /nfs/dbraw/zinc/08/24/63/145082463.db2.gz RDMDLVJUFKAJOO-UHFFFAOYSA-N 0 0 309.325 2.045 10 30 DEEERN COC(=O)c1ccc(-c2noc(-c3ccnc(C#N)c3)n2)cc1 ZINC000193194406 145083543 /nfs/dbraw/zinc/08/35/43/145083543.db2.gz HIPUUJCDYMUCKE-UHFFFAOYSA-N 0 0 306.281 2.457 10 30 DEEERN N#Cc1cc(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)ccn1 ZINC000193323963 145085410 /nfs/dbraw/zinc/08/54/10/145085410.db2.gz QCWNEFULRIXGRH-INIZCTEOSA-N 0 0 309.325 2.373 10 30 DEEERN N#Cc1cc(C(=O)Nc2ccccc2O[C@@H]2CCOC2)ccn1 ZINC000193532129 145086993 /nfs/dbraw/zinc/08/69/93/145086993.db2.gz XCRAANZGNRTSRL-CQSZACIVSA-N 0 0 309.325 2.373 10 30 DEEERN COC(=O)[C@H](N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)c1cccc(C#N)c1 ZINC000246294938 145097972 /nfs/dbraw/zinc/09/79/72/145097972.db2.gz UUTMQXUBRYXNMK-KBRIMQKVSA-N 0 0 315.417 2.091 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000247279175 145131713 /nfs/dbraw/zinc/13/17/13/145131713.db2.gz SQBXEIHGKXMMMW-DDUYRFODSA-N 0 0 314.385 2.255 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000247531504 145140225 /nfs/dbraw/zinc/14/02/25/145140225.db2.gz PCURLETVVMGSRU-LSDHHAIUSA-N 0 0 320.414 2.056 10 30 DEEERN COc1c(Cl)cccc1NC(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000358556352 147156315 /nfs/dbraw/zinc/15/63/15/147156315.db2.gz AQFPCWKCBPZZJR-MRVPVSSYSA-N 0 0 305.725 2.011 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CCOC[C@@H]2CC(F)F)cc1 ZINC000297180670 404487578 /nfs/dbraw/zinc/48/75/78/404487578.db2.gz ASZRWOFLUPOXFY-AWEZNQCLSA-N 0 0 308.328 2.234 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000371424092 148101856 /nfs/dbraw/zinc/10/18/56/148101856.db2.gz GBFSYQDHIRKOHX-UHFFFAOYSA-N 0 0 316.361 2.116 10 30 DEEERN N#Cc1csc(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)c1 ZINC000408399339 148599463 /nfs/dbraw/zinc/59/94/63/148599463.db2.gz GVPLUIMSPBZQQI-LLVKDONJSA-N 0 0 304.293 2.149 10 30 DEEERN C=CC1CCN(C(=O)Cc2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000110362447 401689568 /nfs/dbraw/zinc/68/95/68/401689568.db2.gz OJOJLXNNLBOIKA-UHFFFAOYSA-N 0 0 321.442 2.447 10 30 DEEERN C=CCCCN(C)C(=O)NCCS(=O)(=O)c1ccccc1 ZINC000077285346 401808741 /nfs/dbraw/zinc/80/87/41/401808741.db2.gz KWRDQYVKKXXZGZ-UHFFFAOYSA-N 0 0 310.419 2.068 10 30 DEEERN C=CCNC(=O)CN1CCc2cc(Br)cc(C)c2C1 ZINC000342290952 404488803 /nfs/dbraw/zinc/48/88/03/404488803.db2.gz IHIDCNLHONBRQB-UHFFFAOYSA-N 0 0 323.234 2.418 10 30 DEEERN N#Cc1ccccc1OCC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113895649 401787052 /nfs/dbraw/zinc/78/70/52/401787052.db2.gz JVFWYEMHOXXDEN-OAHLLOKOSA-N 0 0 310.357 2.414 10 30 DEEERN CN1C(=O)C[C@H](NC(=O)C(C)(C)C#N)[C@H]1c1ccc(Cl)cc1 ZINC000130092264 401817874 /nfs/dbraw/zinc/81/78/74/401817874.db2.gz MHWOQBVWWFPIPS-GXTWGEPZSA-N 0 0 319.792 2.278 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000077862618 401835240 /nfs/dbraw/zinc/83/52/40/401835240.db2.gz PSTOEXJEQFRYPI-UHFFFAOYSA-N 0 0 300.280 2.467 10 30 DEEERN C=CCN(CC=C)C(=O)CNc1cc(Cl)ccc1C(N)=O ZINC000025746475 401836769 /nfs/dbraw/zinc/83/67/69/401836769.db2.gz QYSJOBXPOAJIRX-UHFFFAOYSA-N 0 0 307.781 2.051 10 30 DEEERN C=CC[C@@H](C)NC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000116855155 401861838 /nfs/dbraw/zinc/86/18/38/401861838.db2.gz YSKFDDPGDBQMCV-ZYHUDNBSSA-N 0 0 308.328 2.399 10 30 DEEERN C=CC[C@H](C)NC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000116855150 401861903 /nfs/dbraw/zinc/86/19/03/401861903.db2.gz YSKFDDPGDBQMCV-JQWIXIFHSA-N 0 0 308.328 2.399 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000117287390 401872850 /nfs/dbraw/zinc/87/28/50/401872850.db2.gz YZDPVRDRSZVVLP-HNNXBMFYSA-N 0 0 318.417 2.044 10 30 DEEERN C#CCOc1ccc(CN[C@H]2CCCn3nc(CC)nc32)cc1 ZINC000088757553 401934914 /nfs/dbraw/zinc/93/49/14/401934914.db2.gz FIDGGMAFZKYAAV-INIZCTEOSA-N 0 0 310.401 2.477 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1cc(-c2nccn2C)nn1C ZINC000133402674 401885088 /nfs/dbraw/zinc/88/50/88/401885088.db2.gz SQOWJHCEOGVKEK-UHFFFAOYSA-N 0 0 320.356 2.253 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)C1CCOCC1 ZINC000135917025 401955382 /nfs/dbraw/zinc/95/53/82/401955382.db2.gz BQEMPMSJYAJFTD-STQMWFEESA-N 0 0 302.374 2.257 10 30 DEEERN C=C[C@@H](CC(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000136088468 401960399 /nfs/dbraw/zinc/96/03/99/401960399.db2.gz LLBCTBLPAIRSSH-FUHWJXTLSA-N 0 0 314.429 2.279 10 30 DEEERN C=C(C)COCCNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000136162000 401962063 /nfs/dbraw/zinc/96/20/63/401962063.db2.gz VKEHRNCXSHJZQQ-GJZGRUSLSA-N 0 0 317.385 2.270 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC2(C#N)CCCC2)C1 ZINC000151665366 402049119 /nfs/dbraw/zinc/04/91/19/402049119.db2.gz QTWQSMPNLGZSQH-LBPRGKRZSA-N 0 0 307.394 2.196 10 30 DEEERN N#Cc1cc(S(=O)(=O)NCc2ccccn2)ccc1Cl ZINC000048660245 402004892 /nfs/dbraw/zinc/00/48/92/402004892.db2.gz BSYKRHCSCMSINO-UHFFFAOYSA-N 0 0 307.762 2.085 10 30 DEEERN CCCCCCNC(=O)[C@@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC000123055369 402108446 /nfs/dbraw/zinc/10/84/46/402108446.db2.gz SXROBHCXOZWICH-CQSZACIVSA-N 0 0 315.421 2.261 10 30 DEEERN N#CC1(NC(=O)CCCNC(=O)c2ccc(F)cc2)CCCC1 ZINC000065640318 402126907 /nfs/dbraw/zinc/12/69/07/402126907.db2.gz PZFYIORGEUGMJK-UHFFFAOYSA-N 0 0 317.364 2.288 10 30 DEEERN Cc1ccc(S(=O)(=O)NNC2=CC(=O)CC(C)(C)C2)cc1 ZINC000100074251 402139687 /nfs/dbraw/zinc/13/96/87/402139687.db2.gz HZAPVISLNYOUOE-FOWTUZBSSA-N 0 0 308.403 2.409 10 30 DEEERN C=CCOc1ccccc1CNC(=O)NCC[C@H](C)[S@@](C)=O ZINC000123731841 402143649 /nfs/dbraw/zinc/14/36/49/402143649.db2.gz JMPZJNPPQOLGKW-XMHCIUCPSA-N 0 0 324.446 2.208 10 30 DEEERN C=C(C)COc1cccc(NC(=O)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000153485753 402147965 /nfs/dbraw/zinc/14/79/65/402147965.db2.gz KQCFUMQENSBSKH-CQSZACIVSA-N 0 0 317.389 2.384 10 30 DEEERN C=CCNC(=O)NC(=O)CN1CCCC[C@@H]1c1ccc(C)o1 ZINC000124736771 402195021 /nfs/dbraw/zinc/19/50/21/402195021.db2.gz FZAOIYFBZRKJLW-CYBMUJFWSA-N 0 0 305.378 2.127 10 30 DEEERN COc1ccc2c(c1)C[C@H](C(=O)NC1(C#N)CCCC1)CO2 ZINC000124784534 402196619 /nfs/dbraw/zinc/19/66/19/402196619.db2.gz STMOMGHCDAUODM-ZDUSSCGKSA-N 0 0 300.358 2.199 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000154169055 402196823 /nfs/dbraw/zinc/19/68/23/402196823.db2.gz DFXIONZBHZMIDJ-ZDUSSCGKSA-N 0 0 312.410 2.047 10 30 DEEERN CCC(CC)(CO)CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000153741115 402167579 /nfs/dbraw/zinc/16/75/79/402167579.db2.gz WRIDTRCVHKXLLB-CYBMUJFWSA-N 0 0 304.390 2.240 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NCCC(=O)OC(C)(C)C ZINC000124326119 402174753 /nfs/dbraw/zinc/17/47/53/402174753.db2.gz FMEUXJMWYQNOPM-LBPRGKRZSA-N 0 0 318.373 2.174 10 30 DEEERN N#Cc1cnc(NCCc2csc(N3CCCC3)n2)cn1 ZINC000125498793 402235724 /nfs/dbraw/zinc/23/57/24/402235724.db2.gz KIFSNWJDRGAPPC-UHFFFAOYSA-N 0 0 300.391 2.060 10 30 DEEERN C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CNC(=O)C1 ZINC000108981685 402265573 /nfs/dbraw/zinc/26/55/73/402265573.db2.gz MXDXEZUDIJAWGZ-QWRGUYRKSA-N 0 0 303.387 2.155 10 30 DEEERN CCOc1ccc(C(=O)CCC(=O)N[C@H](C#N)C2CC2)cc1 ZINC000108833963 402262677 /nfs/dbraw/zinc/26/26/77/402262677.db2.gz GPNNEYJZNMKRRY-OAHLLOKOSA-N 0 0 300.358 2.467 10 30 DEEERN CNC(=O)c1cccc(CCNC(=O)c2ccc(C#N)cc2C)c1 ZINC000124930101 402204458 /nfs/dbraw/zinc/20/44/58/402204458.db2.gz AWQUKOCCFBYWSW-UHFFFAOYSA-N 0 0 321.380 2.199 10 30 DEEERN COc1ccccc1CCN(C)S(=O)(=O)CCCCC#N ZINC000068915407 402209124 /nfs/dbraw/zinc/20/91/24/402209124.db2.gz RZEPCLROULQRMC-UHFFFAOYSA-N 0 0 310.419 2.193 10 30 DEEERN CC1(C)CC[C@@H](CN2CCN(c3ncccc3C#N)CC2)O1 ZINC000184664742 402289802 /nfs/dbraw/zinc/28/98/02/402289802.db2.gz YJLFUQJCTHUBHC-HNNXBMFYSA-N 0 0 300.406 2.033 10 30 DEEERN Cc1ccc(C2=[N+]([O-])[C@]3(CCCC/C3=N\O)N(O)C2(C)C)o1 ZINC000225411175 402316497 /nfs/dbraw/zinc/31/64/97/402316497.db2.gz OUOLKYYQGWFYGK-XYGUXCPDSA-O 0 0 308.358 2.363 10 30 DEEERN N#Cc1nccnc1N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000225519578 402319678 /nfs/dbraw/zinc/31/96/78/402319678.db2.gz XWZYQMGNQQVBQG-SECBINFHSA-N 0 0 322.294 2.474 10 30 DEEERN N#Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)c[nH]1 ZINC000225552312 402320956 /nfs/dbraw/zinc/32/09/56/402320956.db2.gz BXPYSRFJYYSYQZ-IUODEOHRSA-N 0 0 317.295 2.113 10 30 DEEERN CCCNC(=O)C1CCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000160416672 402344990 /nfs/dbraw/zinc/34/49/90/402344990.db2.gz QBTRMSRRKOZGDT-UHFFFAOYSA-N 0 0 313.401 2.245 10 30 DEEERN N#Cc1ccccc1COc1ccc(C(=O)NC2(CO)CC2)cc1 ZINC000160491194 402348312 /nfs/dbraw/zinc/34/83/12/402348312.db2.gz VCTJJCYHAZPELM-UHFFFAOYSA-N 0 0 322.364 2.392 10 30 DEEERN COc1cccc(Cl)c1CC(=O)Nc1nn(C)cc1C#N ZINC000185431403 402351934 /nfs/dbraw/zinc/35/19/34/402351934.db2.gz LJMASEJRBFXYGI-UHFFFAOYSA-N 0 0 304.737 2.135 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnc(SC)n1-c1ccccc1 ZINC000185901095 402387492 /nfs/dbraw/zinc/38/74/92/402387492.db2.gz KSQBQNAPBSRILP-GFCCVEGCSA-N 0 0 317.414 2.261 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)NCc2ccco2)cn1 ZINC000185898218 402387640 /nfs/dbraw/zinc/38/76/40/402387640.db2.gz ZMSZNOXHEBEDFL-UHFFFAOYSA-N 0 0 308.301 2.054 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnc(Cc2ccccc2)s1 ZINC000185730722 402372674 /nfs/dbraw/zinc/37/26/74/402372674.db2.gz NNXNOAUFNRTHSC-ZDUSSCGKSA-N 0 0 302.399 2.401 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cncc(-c2ccc(OC)cc2)c1 ZINC000185730309 402372698 /nfs/dbraw/zinc/37/26/98/402372698.db2.gz ATNLEVPBYQUSBI-INIZCTEOSA-N 0 0 312.369 2.424 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnn(Cc2ccccc2)c1CC ZINC000185790885 402377847 /nfs/dbraw/zinc/37/78/47/402377847.db2.gz WTHIOOJVKKHMJW-OAHLLOKOSA-N 0 0 313.401 2.161 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000185806097 402379079 /nfs/dbraw/zinc/37/90/79/402379079.db2.gz MTRDDQGLYPQLMY-NSHDSACASA-N 0 0 322.792 2.134 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000185828115 402380696 /nfs/dbraw/zinc/38/06/96/402380696.db2.gz BLEWXSDMFNECKG-SECBINFHSA-N 0 0 310.300 2.436 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1c[nH]nc1-c1ccccc1Cl ZINC000185919577 402389257 /nfs/dbraw/zinc/38/92/57/402389257.db2.gz WPELZDSPQVRYJH-SNVBAGLBSA-N 0 0 305.765 2.397 10 30 DEEERN N#Cc1cccnc1-n1cc(NCc2cnn3ccccc23)cn1 ZINC000185849430 402382078 /nfs/dbraw/zinc/38/20/78/402382078.db2.gz USXDAXSWOAFMHX-UHFFFAOYSA-N 0 0 315.340 2.399 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000185855552 402382706 /nfs/dbraw/zinc/38/27/06/402382706.db2.gz QSXOZLXKJKCFQZ-NSHDSACASA-N 0 0 303.280 2.181 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCCOc1cccc(C(C)=O)c1 ZINC000185853368 402382771 /nfs/dbraw/zinc/38/27/71/402382771.db2.gz BGQZBSWYSQHMJB-OAHLLOKOSA-N 0 0 305.374 2.101 10 30 DEEERN Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3[C@@H]4CCCO[C@H]34)C2)n(C)n1 ZINC000329911099 404491360 /nfs/dbraw/zinc/49/13/60/404491360.db2.gz WEHLRVUSOLQJMF-UGQVUOCMSA-N 0 0 318.421 2.079 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NCCc1cccc(O)c1 ZINC000160185312 402337571 /nfs/dbraw/zinc/33/75/71/402337571.db2.gz PTUWZHZJKSDHPX-ZDUSSCGKSA-N 0 0 310.353 2.390 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)OC ZINC000186211254 402410658 /nfs/dbraw/zinc/41/06/58/402410658.db2.gz QJSFVWYIYVMXPL-UKRRQHHQSA-N 0 0 319.401 2.442 10 30 DEEERN N#CC1CCN(C(=O)c2cc(N3CCCC3=O)ccc2F)CC1 ZINC000162362259 402417898 /nfs/dbraw/zinc/41/78/98/402417898.db2.gz IUOLOROIRXXFKZ-UHFFFAOYSA-N 0 0 315.348 2.328 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000186345714 402423237 /nfs/dbraw/zinc/42/32/37/402423237.db2.gz RHEVUUMPULLHPB-AAEUAGOBSA-N 0 0 322.409 2.415 10 30 DEEERN C#C[C@H](C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)CC ZINC000185971238 402394095 /nfs/dbraw/zinc/39/40/95/402394095.db2.gz LFHKJGRFSUIQCH-DZKIICNBSA-N 0 0 316.401 2.465 10 30 DEEERN CO[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[C@@H]1C ZINC000187747852 402510001 /nfs/dbraw/zinc/51/00/01/402510001.db2.gz UBSKSKHCBQINNX-XJKSGUPXSA-N 0 0 302.374 2.015 10 30 DEEERN CO[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[C@@H]1C ZINC000187747812 402510049 /nfs/dbraw/zinc/51/00/49/402510049.db2.gz UBSKSKHCBQINNX-BBRMVZONSA-N 0 0 302.374 2.015 10 30 DEEERN C[C@H]1CC[C@H](C(=O)N2CCCN(c3ccccc3C#N)CC2)O1 ZINC000178067872 402457205 /nfs/dbraw/zinc/45/72/05/402457205.db2.gz ZQKNSERFHUOZEU-WMLDXEAASA-N 0 0 313.401 2.164 10 30 DEEERN CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@H]1C[C@@H]1C(C)C ZINC000186881434 402469347 /nfs/dbraw/zinc/46/93/47/402469347.db2.gz VHCPNZFJBZTCSC-NEPJUHHUSA-N 0 0 318.377 2.204 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000187307993 402493334 /nfs/dbraw/zinc/49/33/34/402493334.db2.gz XBKVBHDXEVTLPS-TZMCWYRMSA-N 0 0 302.374 2.399 10 30 DEEERN N#Cc1c(Br)cccc1NCCCn1ccnn1 ZINC000168595413 402497337 /nfs/dbraw/zinc/49/73/37/402497337.db2.gz DXXWTDDKUNSKQD-UHFFFAOYSA-N 0 0 306.167 2.414 10 30 DEEERN C=CC[C@@H](C(=O)N1CCN(c2cccnn2)CC1)c1ccccc1 ZINC000187390045 402497452 /nfs/dbraw/zinc/49/74/52/402497452.db2.gz MIGWWKICHYXSED-QGZVFWFLSA-N 0 0 322.412 2.485 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N2CCCSCC2)c(Cl)c1 ZINC000169281249 402501123 /nfs/dbraw/zinc/50/11/23/402501123.db2.gz FZBOCKBGTDVONT-UHFFFAOYSA-N 0 0 316.835 2.339 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cccc(CC#N)c3)[C@@H]2C1 ZINC000178835683 402545258 /nfs/dbraw/zinc/54/52/58/402545258.db2.gz KSBRIQUKNBTVGU-BRWVUGGUSA-N 0 0 314.385 2.161 10 30 DEEERN C=CCNC(=O)NC(=O)[C@@H](C)Nc1cccc([C@@H](C)OC)c1 ZINC000171088715 402556376 /nfs/dbraw/zinc/55/63/76/402556376.db2.gz JUDOJDOYZUPNIB-VXGBXAGGSA-N 0 0 305.378 2.206 10 30 DEEERN Cn1cc(CNC(=O)Cc2ccc(C#N)cc2)c(C(F)(F)F)n1 ZINC000178953614 402558855 /nfs/dbraw/zinc/55/88/55/402558855.db2.gz WJPDXUHTYPVYJW-UHFFFAOYSA-N 0 0 322.290 2.169 10 30 DEEERN N#CC1(NC(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)CCCC1 ZINC000179067684 402570069 /nfs/dbraw/zinc/57/00/69/402570069.db2.gz BMGCSFWTGBUXFR-CYBMUJFWSA-N 0 0 319.311 2.410 10 30 DEEERN Cc1nc(C[C@@H]2CCCN(C(=O)C3(C#N)CCCC3)C2)no1 ZINC000171240976 402570332 /nfs/dbraw/zinc/57/03/32/402570332.db2.gz UTJYZRODRPUZNE-ZDUSSCGKSA-N 0 0 302.378 2.243 10 30 DEEERN CCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(C#N)c1C ZINC000178630426 402519542 /nfs/dbraw/zinc/51/95/42/402519542.db2.gz VHWFQKNOKCPMML-ZDUSSCGKSA-N 0 0 303.387 2.117 10 30 DEEERN C[C@H](C(=O)N[C@H](C#N)c1ccccc1Cl)N1CCSCC1 ZINC000179172138 402578087 /nfs/dbraw/zinc/57/80/87/402578087.db2.gz UXYPKGKPACWEKY-BXUZGUMPSA-N 0 0 323.849 2.458 10 30 DEEERN C=CCSCCNC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171359428 402580893 /nfs/dbraw/zinc/58/08/93/402580893.db2.gz ZPKZFONVHKCUPL-CYBMUJFWSA-N 0 0 324.450 2.261 10 30 DEEERN N#CCOc1ccc(CNC(=O)NCCCc2ccccn2)cc1 ZINC000179207604 402581141 /nfs/dbraw/zinc/58/11/41/402581141.db2.gz JGXKPEACIYIOKD-UHFFFAOYSA-N 0 0 324.384 2.416 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000248389365 402588378 /nfs/dbraw/zinc/58/83/78/402588378.db2.gz ARCKURLQTMPMCE-HZSPNIEDSA-N 0 0 300.358 2.370 10 30 DEEERN C=CCCOCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000179493514 402592251 /nfs/dbraw/zinc/59/22/51/402592251.db2.gz XTRHWJAQSVATRC-INIZCTEOSA-N 0 0 316.401 2.000 10 30 DEEERN C[C@H](c1cnn(C)c1)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000180357351 402613845 /nfs/dbraw/zinc/61/38/45/402613845.db2.gz KXOJLUQFENGZRB-CQSZACIVSA-N 0 0 317.437 2.098 10 30 DEEERN CCOC(=O)[C@@H](C)CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180545284 402619783 /nfs/dbraw/zinc/61/97/83/402619783.db2.gz NAPVJTKJXMZYSP-LBPRGKRZSA-N 0 0 300.358 2.171 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1ccc(OC(C)(C)C)nc1 ZINC000181005854 402632194 /nfs/dbraw/zinc/63/21/94/402632194.db2.gz URTFEYGLOSKCLF-UHFFFAOYSA-N 0 0 312.373 2.399 10 30 DEEERN CCO[C@@H]1C[C@@H](NC(=O)N2CC3(C2)CCCOC3)C12CCC2 ZINC000329308286 286232665 /nfs/dbraw/zinc/23/26/65/286232665.db2.gz ZPCJPYQVTYTERA-ZIAGYGMSSA-N 0 0 308.422 2.361 10 30 DEEERN N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1 ZINC000181365262 402643050 /nfs/dbraw/zinc/64/30/50/402643050.db2.gz AQJQAFBHRDGDRH-HNNXBMFYSA-N 0 0 309.373 2.363 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(C#N)c(F)c3)[C@@H]2C1 ZINC000192130253 402713299 /nfs/dbraw/zinc/71/32/99/402713299.db2.gz MDVVGMBETKBYIP-DJIMGWMZSA-N 0 0 304.365 2.466 10 30 DEEERN C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C)C(C)C)c1 ZINC000172581645 402663874 /nfs/dbraw/zinc/66/38/74/402663874.db2.gz MHJKNHILRKHNFN-ZDUSSCGKSA-N 0 0 324.446 2.173 10 30 DEEERN COc1cc(C=NN2CN=NC2=S)ccc1OC(F)F ZINC000254487070 402670839 /nfs/dbraw/zinc/67/08/39/402670839.db2.gz OYTPILULGNVHSK-UHFFFAOYSA-N 0 0 300.290 2.059 10 30 DEEERN C#CCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000172927511 402680097 /nfs/dbraw/zinc/68/00/97/402680097.db2.gz MLYQAJRIGRCRJU-CYBMUJFWSA-N 0 0 316.426 2.291 10 30 DEEERN C#CCOc1ccc(CN[C@H](C)c2nnc3n2CCCC3)cc1 ZINC000173361332 402693792 /nfs/dbraw/zinc/69/37/92/402693792.db2.gz VSLJNMJGRDMUDZ-CQSZACIVSA-N 0 0 310.401 2.477 10 30 DEEERN CC[C@@](NC(=O)c1ccc(C2(C#N)CC2)cc1)(C(N)=O)C(C)C ZINC000182491407 402694680 /nfs/dbraw/zinc/69/46/80/402694680.db2.gz GBTJMEIZBDPORE-SFHVURJKSA-N 0 0 313.401 2.262 10 30 DEEERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1sccc1C#N ZINC000173454644 402698183 /nfs/dbraw/zinc/69/81/83/402698183.db2.gz KHIDFSZYXAAFCQ-SECBINFHSA-N 0 0 302.403 2.331 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000183601505 402780530 /nfs/dbraw/zinc/78/05/30/402780530.db2.gz ARRAUPIMIZKGDC-AWEZNQCLSA-N 0 0 321.377 2.154 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@@H](C)COCc1ccccc1 ZINC000183192416 402746474 /nfs/dbraw/zinc/74/64/74/402746474.db2.gz QAOWXCAPOWNWMO-ZBFHGGJFSA-N 0 0 306.406 2.076 10 30 DEEERN Cc1nn(C)c2ncc(C[NH2+]CCOc3ccc(C#N)cc3)cc12 ZINC000174560317 402747045 /nfs/dbraw/zinc/74/70/45/402747045.db2.gz WGWDWDOEZCBOPB-UHFFFAOYSA-N 0 0 321.384 2.317 10 30 DEEERN CCCn1nccc1NC(=O)NCCOc1ccc(C#N)cc1 ZINC000174697688 402753004 /nfs/dbraw/zinc/75/30/04/402753004.db2.gz XXXCXUOBWZILFL-UHFFFAOYSA-N 0 0 313.361 2.365 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000183303041 402754658 /nfs/dbraw/zinc/75/46/58/402754658.db2.gz ZUSYUQDLOFTKCD-AWEZNQCLSA-N 0 0 303.362 2.404 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000183736704 402793644 /nfs/dbraw/zinc/79/36/44/402793644.db2.gz GFHZDHGBJIOYCT-KBPBESRZSA-N 0 0 314.389 2.170 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@@H](C)Cc1ccc(OC)cc1 ZINC000183802277 402798742 /nfs/dbraw/zinc/79/87/42/402798742.db2.gz AGZFFPKYOYWWCI-ZFWWWQNUSA-N 0 0 306.406 2.110 10 30 DEEERN C=CCN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cnn(C)c1 ZINC000184023740 402812630 /nfs/dbraw/zinc/81/26/30/402812630.db2.gz YXBWKPIBNBYGNU-AWEZNQCLSA-N 0 0 306.410 2.200 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000184264996 402831473 /nfs/dbraw/zinc/83/14/73/402831473.db2.gz UERJEMRZYPLCRC-GFCCVEGCSA-N 0 0 310.419 2.277 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)COc2ccccc2)cn1 ZINC000183673451 402787810 /nfs/dbraw/zinc/78/78/10/402787810.db2.gz WEFJOWPUQWDYLR-UHFFFAOYSA-N 0 0 319.324 2.156 10 30 DEEERN C=CCSCCNC(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000176026429 402848507 /nfs/dbraw/zinc/84/85/07/402848507.db2.gz SUIHFDJQQSXOGW-LBPRGKRZSA-N 0 0 314.451 2.279 10 30 DEEERN C=CCN1CCC(NS(=O)(=O)c2ccc(CC)s2)CC1 ZINC000264426549 402877670 /nfs/dbraw/zinc/87/76/70/402877670.db2.gz YHDLMZSXOYIZSM-UHFFFAOYSA-N 0 0 314.476 2.239 10 30 DEEERN C=CCOc1ccccc1CNS(=O)(=O)Cc1cc(C)on1 ZINC000265373654 402913669 /nfs/dbraw/zinc/91/36/69/402913669.db2.gz WTINIPFPNDQJGY-UHFFFAOYSA-N 0 0 322.386 2.167 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1coc(-c2ccc(C)cc2)n1 ZINC000273413332 403002654 /nfs/dbraw/zinc/00/26/54/403002654.db2.gz JDZRWDIIVPYFOZ-CQSZACIVSA-N 0 0 315.373 2.386 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000274341917 403046401 /nfs/dbraw/zinc/04/64/01/403046401.db2.gz MKVJAWCDWJSDGZ-CQSZACIVSA-N 0 0 315.417 2.036 10 30 DEEERN C=CCCCCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000274446614 403056271 /nfs/dbraw/zinc/05/62/71/403056271.db2.gz GDDQFOGZZIBCLW-GDBMZVCRSA-N 0 0 301.390 2.074 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(-c2ncon2)cc1 ZINC000281237918 403061929 /nfs/dbraw/zinc/06/19/29/403061929.db2.gz FHWQCMRPMFVSCO-CABCVRRESA-N 0 0 313.357 2.448 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)C1=O ZINC000281452256 403069067 /nfs/dbraw/zinc/06/90/67/403069067.db2.gz SCKXZSYWCBKKJW-INIZCTEOSA-N 0 0 323.396 2.101 10 30 DEEERN C=CCCCCNC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000274703322 403079670 /nfs/dbraw/zinc/07/96/70/403079670.db2.gz YYCIDWSMMFGTHR-LSDHHAIUSA-N 0 0 322.405 2.470 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N(C)[C@@H](CO)CC(C)C ZINC000274942293 403097838 /nfs/dbraw/zinc/09/78/38/403097838.db2.gz OAMKMBZIWVHCJR-MRXNPFEDSA-N 0 0 318.417 2.247 10 30 DEEERN C#CCCNC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282092503 403121602 /nfs/dbraw/zinc/12/16/02/403121602.db2.gz INZYPSCGLJIQLN-CQSZACIVSA-N 0 0 300.406 2.132 10 30 DEEERN C#C[C@H](NC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1)C(C)C ZINC000282153069 403127435 /nfs/dbraw/zinc/12/74/35/403127435.db2.gz HVWRMKAVUHHSRV-CJNGLKHVSA-N 0 0 311.389 2.285 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000276343361 403165868 /nfs/dbraw/zinc/16/58/68/403165868.db2.gz YYAXCDYTYKLUMO-ZDUSSCGKSA-N 0 0 319.327 2.284 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC000282410940 403151116 /nfs/dbraw/zinc/15/11/16/403151116.db2.gz XFKWMRLNVNGLAS-MJBXVCDLSA-N 0 0 306.410 2.034 10 30 DEEERN C#C[C@@H](C)NC(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000282767505 403159276 /nfs/dbraw/zinc/15/92/76/403159276.db2.gz NUVPXXFIEYAMQF-CYBMUJFWSA-N 0 0 315.392 2.384 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCc1cc(C)ccc1OC ZINC000283515953 403202825 /nfs/dbraw/zinc/20/28/25/403202825.db2.gz OKSWCQHRQUFXLU-UHFFFAOYSA-N 0 0 318.417 2.087 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1cccc(C(=O)N[C@@H](C)CC)c1 ZINC000277546025 403229401 /nfs/dbraw/zinc/22/94/01/403229401.db2.gz VSNXIMBDAZMANS-HNNXBMFYSA-N 0 0 324.424 2.494 10 30 DEEERN C#C[C@H](C)NC(=O)N[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000276649349 403192560 /nfs/dbraw/zinc/19/25/60/403192560.db2.gz PTDJNQLUBHBJDX-LSDHHAIUSA-N 0 0 313.401 2.038 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN2C(=O)CC(C)CC2=O)c1C ZINC000270450868 403192749 /nfs/dbraw/zinc/19/27/49/403192749.db2.gz NHIDWLYRBPSZGU-UHFFFAOYSA-N 0 0 302.374 2.259 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCc2cccc(C)c2C1 ZINC000297950652 403292295 /nfs/dbraw/zinc/29/22/95/403292295.db2.gz WDEIJRUKLHNDHG-UHFFFAOYSA-N 0 0 300.402 2.304 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)CCCCC#N ZINC000285449230 403298695 /nfs/dbraw/zinc/29/86/95/403298695.db2.gz YIJKMSZCZXQRIV-INIZCTEOSA-N 0 0 304.415 2.234 10 30 DEEERN N#CC1(NC(=O)c2cc3c(cc2O)CCCC3)CCOCC1 ZINC000271218550 403281157 /nfs/dbraw/zinc/28/11/57/403281157.db2.gz CGMLUQDLIABEPL-UHFFFAOYSA-N 0 0 300.358 2.074 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC000285886974 403403383 /nfs/dbraw/zinc/40/33/83/403403383.db2.gz RDEMBNSWPILXKF-AEFFLSMTSA-N 0 0 321.424 2.276 10 30 DEEERN C=CCCOCCCCC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000343047793 403443078 /nfs/dbraw/zinc/44/30/78/403443078.db2.gz YLXOOTUXUOHAPU-JKSUJKDBSA-N 0 0 322.449 2.267 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](c1nccn1C)c1ccc(F)cc1 ZINC000287017977 403552900 /nfs/dbraw/zinc/55/29/00/403552900.db2.gz HYHMKJGKHJVNTR-KRWDZBQOSA-N 0 0 323.371 2.428 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCCCc1c[nH]nn1 ZINC000287292099 403568965 /nfs/dbraw/zinc/56/89/65/403568965.db2.gz LCBOLTUNHUNCBZ-INIZCTEOSA-N 0 0 310.401 2.268 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)c1cccc(S(N)(=O)=O)c1C ZINC000343518700 403620325 /nfs/dbraw/zinc/62/03/25/403620325.db2.gz GRHXUBMAVMCABW-LLVKDONJSA-N 0 0 310.419 2.117 10 30 DEEERN C=CCO[C@@H]1CCN(c2ncnc3c2cnn3C(C)(C)C)C1 ZINC000302202324 403709344 /nfs/dbraw/zinc/70/93/44/403709344.db2.gz ZUKSCTXSUOGMNE-GFCCVEGCSA-N 0 0 301.394 2.363 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCCc1ccccc1F ZINC000287962132 403700051 /nfs/dbraw/zinc/70/00/51/403700051.db2.gz UGOULPGDINLKMZ-UHFFFAOYSA-N 0 0 306.381 2.299 10 30 DEEERN CCOC(=O)c1sc([C@H](C)Nc2ccc(C#N)nn2)nc1C ZINC000301916709 403701024 /nfs/dbraw/zinc/70/10/24/403701024.db2.gz DQBDXXZDUBLKCU-VIFPVBQESA-N 0 0 317.374 2.463 10 30 DEEERN C#CCNC(=O)CNc1ccc2cc(Br)ccc2n1 ZINC000302721578 403716096 /nfs/dbraw/zinc/71/60/96/403716096.db2.gz HTNNNUHKECAAMZ-UHFFFAOYSA-N 0 0 318.174 2.159 10 30 DEEERN N#Cc1nc(NCCc2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC000302747728 403721216 /nfs/dbraw/zinc/72/12/16/403721216.db2.gz UCIDOXBCHPEQAY-UHFFFAOYSA-N 0 0 308.301 2.392 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCC1(O)CCCC1 ZINC000288092993 403722877 /nfs/dbraw/zinc/72/28/77/403722877.db2.gz HZKGGHAUPZXSOL-MRXNPFEDSA-N 0 0 300.402 2.225 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCC[C@@H](C)CO ZINC000288124909 403729944 /nfs/dbraw/zinc/72/99/44/403729944.db2.gz YQSJJLXRCDMJAQ-NVXWUHKLSA-N 0 0 302.418 2.329 10 30 DEEERN C=CCOc1ccccc1CNc1nc2c(cnn2C)c(N)n1 ZINC000302886710 403741100 /nfs/dbraw/zinc/74/11/00/403741100.db2.gz NFXJRQAKBCJDOL-UHFFFAOYSA-N 0 0 310.361 2.122 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC000288291117 403745446 /nfs/dbraw/zinc/74/54/46/403745446.db2.gz VVWKAMMJGPCHBZ-QGZVFWFLSA-N 0 0 308.381 2.267 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cnc(C)nc1C1CC1 ZINC000411469311 403866590 /nfs/dbraw/zinc/86/65/90/403866590.db2.gz AIULAVNFJJPAHX-CYBMUJFWSA-N 0 0 314.389 2.168 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N1CCS(=O)(=O)C(CC)(CC)C1 ZINC000362071051 403924122 /nfs/dbraw/zinc/92/41/22/403924122.db2.gz VMTHHBXCBQEPOT-CYBMUJFWSA-N 0 0 316.467 2.340 10 30 DEEERN C=CCNC(=O)CNC(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000347891061 403935197 /nfs/dbraw/zinc/93/51/97/403935197.db2.gz JMDRLAPHSXOYJZ-UHFFFAOYSA-N 0 0 306.365 2.290 10 30 DEEERN C#Cc1ccc(CNC(=O)[C@H](C)OC[C@H]2CCCCO2)cc1 ZINC000295474673 403946915 /nfs/dbraw/zinc/94/69/15/403946915.db2.gz NNOPQHDDDHPVNV-WMLDXEAASA-N 0 0 301.386 2.258 10 30 DEEERN C=C[C@H](C)NC(=O)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000362380337 403950150 /nfs/dbraw/zinc/95/01/50/403950150.db2.gz PRFKTUFIGMNJFU-AWEZNQCLSA-N 0 0 315.417 2.473 10 30 DEEERN C#CCCOc1ccc(CN2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000289528156 403983118 /nfs/dbraw/zinc/98/31/18/403983118.db2.gz PULKLPJZBZJEKW-IBGZPJMESA-N 0 0 315.413 2.470 10 30 DEEERN N#CCC1(CNC(=O)c2ncsc2Br)CC1 ZINC000344231042 403994213 /nfs/dbraw/zinc/99/42/13/403994213.db2.gz XNOBLIIDKNBTKX-UHFFFAOYSA-N 0 0 300.181 2.329 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000289896542 404007981 /nfs/dbraw/zinc/00/79/81/404007981.db2.gz XLSNDHYSULBSDR-ZDUSSCGKSA-N 0 0 303.358 2.368 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CC(Cc2cc(OC)cc(OC)c2)C1 ZINC000354884811 404080374 /nfs/dbraw/zinc/08/03/74/404080374.db2.gz SCIYOCFOVMJSKV-GOSISDBHSA-N 0 0 319.401 2.032 10 30 DEEERN C=CCCCN(C)C(=O)c1cn(-c2cccc(OC)c2)nn1 ZINC000295985135 404038368 /nfs/dbraw/zinc/03/83/68/404038368.db2.gz WOZWGRIVITVARY-UHFFFAOYSA-N 0 0 300.362 2.314 10 30 DEEERN CCOc1cc(N2CC[C@H](n3ccc(NC(C)=O)n3)C2)ncn1 ZINC000328608883 404113696 /nfs/dbraw/zinc/11/36/96/404113696.db2.gz BNZPIBMQHDKPJQ-LBPRGKRZSA-N 0 0 316.365 2.131 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)CCc3ccoc3)C2)n1 ZINC000328613695 404115533 /nfs/dbraw/zinc/11/55/33/404115533.db2.gz TUTDBSVZXCSSFF-CQSZACIVSA-N 0 0 316.361 2.490 10 30 DEEERN COCCC1(CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)CCC1 ZINC000328620606 404116508 /nfs/dbraw/zinc/11/65/08/404116508.db2.gz HCVBYBCSIPTNQO-CYBMUJFWSA-N 0 0 321.421 2.435 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C([O-])=[NH+]Cc3ccco3)C2)n1 ZINC000328629553 404118666 /nfs/dbraw/zinc/11/86/66/404118666.db2.gz OYZDXBZDUHBHQR-GFCCVEGCSA-N 0 0 317.349 2.445 10 30 DEEERN C=CCn1c(C2CCC2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC000290343590 404134244 /nfs/dbraw/zinc/13/42/44/404134244.db2.gz JVOJSAAZESJOTQ-CQSZACIVSA-N 0 0 313.409 2.165 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@H](C)c1cnn(C)c1)CCC2 ZINC000328662404 404126868 /nfs/dbraw/zinc/12/68/68/404126868.db2.gz XIMPQQBWEFSZSE-OLZOCXBDSA-N 0 0 316.409 2.067 10 30 DEEERN C=C[C@@](C)(O)CC(=O)NC1CCN(c2ccccc2OC)CC1 ZINC000290331419 404128167 /nfs/dbraw/zinc/12/81/67/404128167.db2.gz HLPBIGJPWMHQQR-GOSISDBHSA-N 0 0 318.417 2.107 10 30 DEEERN O=C(N[C@@H]1CCCC12CCOCC2)N1CCO[C@H](C2CC2)C1 ZINC000328808985 404153754 /nfs/dbraw/zinc/15/37/54/404153754.db2.gz MJQRZQRQCKEEMH-LSDHHAIUSA-N 0 0 308.422 2.361 10 30 DEEERN C=CCCCNC(=O)c1cnn(-c2ccc(OCC)nn2)c1C ZINC000344463409 404155247 /nfs/dbraw/zinc/15/52/47/404155247.db2.gz VCKVZTHDOJXOOA-UHFFFAOYSA-N 0 0 315.377 2.065 10 30 DEEERN C=CC[C@H](CO)NCc1nc2ccccn2c1Br ZINC000290380832 404145427 /nfs/dbraw/zinc/14/54/27/404145427.db2.gz NXMFAZJFQTVTDJ-SNVBAGLBSA-N 0 0 310.195 2.123 10 30 DEEERN Cc1ccc([C@H]2CCCN2S(=O)(=O)N(C)[C@H](C)CC#N)o1 ZINC000363469688 404162540 /nfs/dbraw/zinc/16/25/40/404162540.db2.gz DEQPDLYPHXYVTK-DGCLKSJQSA-N 0 0 311.407 2.204 10 30 DEEERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCO[C@H]1C ZINC000328930002 404176923 /nfs/dbraw/zinc/17/69/23/404176923.db2.gz HIAIWHUDDALAPF-NNYUYHANSA-N 0 0 300.424 2.068 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CCC(c2nccc(C)n2)CC1 ZINC000363800411 404223956 /nfs/dbraw/zinc/22/39/56/404223956.db2.gz MZHWVZQJPAJZLV-UHFFFAOYSA-N 0 0 316.449 2.389 10 30 DEEERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC000329027793 404207088 /nfs/dbraw/zinc/20/70/88/404207088.db2.gz KGVJUGLAIOJEOG-AAVRWANBSA-N 0 0 303.406 2.270 10 30 DEEERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC000329027794 404207172 /nfs/dbraw/zinc/20/71/72/404207172.db2.gz KGVJUGLAIOJEOG-SYQHCUMBSA-N 0 0 303.406 2.270 10 30 DEEERN C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H]2Cn2ccnn2)[C@@H](C)C1 ZINC000329102104 404231122 /nfs/dbraw/zinc/23/11/22/404231122.db2.gz ZXFNOAWHEDQHDE-QPSCCSFWSA-N 0 0 305.426 2.481 10 30 DEEERN C[C@H](NC(=O)N1CCO[C@H](C2CC2)C1)c1c(F)cncc1F ZINC000329400583 404326243 /nfs/dbraw/zinc/32/62/43/404326243.db2.gz YSKVRRKUPPAPIX-ZANVPECISA-N 0 0 311.332 2.446 10 30 DEEERN C=CCSCCNC(=O)C(=O)N(C)Cc1cc(C)ccc1C ZINC000355285895 404320492 /nfs/dbraw/zinc/32/04/92/404320492.db2.gz DRBDTFPXSSWKSJ-UHFFFAOYSA-N 0 0 320.458 2.297 10 30 DEEERN C=CCOCCCN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000356035712 404386970 /nfs/dbraw/zinc/38/69/70/404386970.db2.gz GBTPVLQAZPFRTF-QGZVFWFLSA-N 0 0 302.374 2.436 10 30 DEEERN C#Cc1ccc(CNC(=O)NCCNC(=O)[C@@H](C)CCC)cc1 ZINC000296992047 404403865 /nfs/dbraw/zinc/40/38/65/404403865.db2.gz HUNHGCNHPPHKMT-AWEZNQCLSA-N 0 0 315.417 2.020 10 30 DEEERN O=C(NC[C@@H]1COc2ccccc21)N1CCO[C@H](C2CC2)C1 ZINC000329658896 404411336 /nfs/dbraw/zinc/41/13/36/404411336.db2.gz NWABPUWLKMXNBD-CJNGLKHVSA-N 0 0 302.374 2.187 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CCCN(C(=O)CCC)CC1 ZINC000372464629 404500759 /nfs/dbraw/zinc/50/07/59/404500759.db2.gz RCHRTXNSXRPLOU-KRWDZBQOSA-N 0 0 310.438 2.076 10 30 DEEERN Cn1cccc1[C@H]1CCCCN1CC(=O)NC1(C#N)CCC1 ZINC000372610010 404504021 /nfs/dbraw/zinc/50/40/21/404504021.db2.gz BABRGDILIXDMFL-OAHLLOKOSA-N 0 0 300.406 2.115 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000372675122 404506721 /nfs/dbraw/zinc/50/67/21/404506721.db2.gz NTCKJLNIGQUNSV-GUYCJALGSA-N 0 0 320.437 2.411 10 30 DEEERN C[C@@H]1C(=O)NCCCN1CC(=O)Nc1nc2c(s1)CCC2 ZINC000329976293 404513228 /nfs/dbraw/zinc/51/32/28/404513228.db2.gz FGROLJFQEAHDER-SECBINFHSA-N 0 0 308.407 2.271 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCc1ncccc1C ZINC000297097048 404449290 /nfs/dbraw/zinc/44/92/90/404449290.db2.gz XTTBRKCSRHFVJS-GDBMZVCRSA-N 0 0 303.406 2.213 10 30 DEEERN O=C(NCc1ccc(C2CC2)cc1)N1CCC[C@@H](OCCO)C1 ZINC000330037062 404535009 /nfs/dbraw/zinc/53/50/09/404535009.db2.gz DALYQULXSRHNPB-QGZVFWFLSA-N 0 0 318.417 2.451 10 30 DEEERN C#Cc1ccc(CNC(=O)N(CC2CCOCC2)OC)cc1 ZINC000297697380 404594284 /nfs/dbraw/zinc/59/42/84/404594284.db2.gz QYJMJVOQTYRCNN-UHFFFAOYSA-N 0 0 302.374 2.168 10 30 DEEERN C=CCn1cc(-c2nc([C@H](Cc3ccccc3)OC)no2)nn1 ZINC000351375059 404565906 /nfs/dbraw/zinc/56/59/06/404565906.db2.gz JECWSFSPVWYUIR-AWEZNQCLSA-N 0 0 311.345 2.444 10 30 DEEERN C=CCn1c(C2CCC2)nnc1N(C[C@H]1CCC(=O)N1)C(C)C ZINC000414519211 404664974 /nfs/dbraw/zinc/66/49/74/404664974.db2.gz WNRVUPQFHZAEFH-CQSZACIVSA-N 0 0 317.437 2.225 10 30 DEEERN C#Cc1ccc(CNC(=O)N(CCOC)Cc2ccccn2)cc1 ZINC000297722901 404603176 /nfs/dbraw/zinc/60/31/76/404603176.db2.gz SPUNMPWLFXSOGR-UHFFFAOYSA-N 0 0 323.396 2.421 10 30 DEEERN C[C@H]1OCC[C@H]1NC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000330261645 404605784 /nfs/dbraw/zinc/60/57/84/404605784.db2.gz PGYMCMJWZNRYFE-JUDXGUMMSA-N 0 0 308.353 2.025 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N1CCC[C@H](CO)[C@@H]1C ZINC000414530743 404669048 /nfs/dbraw/zinc/66/90/48/404669048.db2.gz SBWRVQGFLNBELB-QWHCGFSZSA-N 0 0 302.378 2.321 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CC(=O)OCC ZINC000357637257 404739407 /nfs/dbraw/zinc/73/94/07/404739407.db2.gz HOYBAUWVUCBHLS-UHFFFAOYSA-N 0 0 306.318 2.063 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000357714930 404741273 /nfs/dbraw/zinc/74/12/73/404741273.db2.gz KALWQPOONDRBNW-GDBMZVCRSA-N 0 0 316.401 2.279 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1cccc2cccnc21 ZINC000357918460 404748228 /nfs/dbraw/zinc/74/82/28/404748228.db2.gz RQTULASOHZPNRZ-UHFFFAOYSA-N 0 0 311.385 2.276 10 30 DEEERN CC[C@H](OC1CCCCC1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000366184382 404768736 /nfs/dbraw/zinc/76/87/36/404768736.db2.gz VVRMWZCURTYAMN-RDJZCZTQSA-N 0 0 319.449 2.313 10 30 DEEERN CC(C)(C#N)CNC(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000358616691 404769244 /nfs/dbraw/zinc/76/92/44/404769244.db2.gz HVBLZQPNZJDQIJ-OAHLLOKOSA-N 0 0 317.389 2.026 10 30 DEEERN CCOC(=O)c1cnc(C)c(C(=O)N2CCC(C)(C#N)CC2)c1 ZINC000356975900 404723872 /nfs/dbraw/zinc/72/38/72/404723872.db2.gz OGFLUPHBROBMCT-UHFFFAOYSA-N 0 0 315.373 2.333 10 30 DEEERN C=CCN(CCC#N)C(=O)c1cc(C)n(-c2nc(C)cc(C)n2)n1 ZINC000359396416 404791886 /nfs/dbraw/zinc/79/18/86/404791886.db2.gz BBAISJIIRCDQOB-UHFFFAOYSA-N 0 0 324.388 2.129 10 30 DEEERN N#C[C@H]1CCC[C@H]1NC(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000360082364 404816752 /nfs/dbraw/zinc/81/67/52/404816752.db2.gz KZXKEFQUVSDZRQ-IAGOWNOFSA-N 0 0 323.400 2.423 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)NC1CCN(C(=O)C(C)C)CC1 ZINC000360137613 404819688 /nfs/dbraw/zinc/81/96/88/404819688.db2.gz VNBFWGOEQOJHBI-OAHLLOKOSA-N 0 0 307.438 2.384 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000366758093 404843209 /nfs/dbraw/zinc/84/32/09/404843209.db2.gz OCVIEJMWPGPWPP-DXWTWGPWSA-N 0 0 323.433 2.153 10 30 DEEERN N#Cc1ccnc(NC(=O)Cc2cnn(-c3ccccc3)c2)c1 ZINC000435987227 405033879 /nfs/dbraw/zinc/03/38/79/405033879.db2.gz CAWZJEAZHMLDLT-UHFFFAOYSA-N 0 0 303.325 2.320 10 30 DEEERN C=CCCCCNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000367236220 404977614 /nfs/dbraw/zinc/97/76/14/404977614.db2.gz GDPSQQZTFHXXTQ-GJZGRUSLSA-N 0 0 310.438 2.210 10 30 DEEERN C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CC[S@](=O)C1 ZINC000407955116 405075387 /nfs/dbraw/zinc/07/53/87/405075387.db2.gz PWXAEORVSILFOA-FPVGNUTFSA-N 0 0 317.336 2.177 10 30 DEEERN C=CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000436797735 405141114 /nfs/dbraw/zinc/14/11/14/405141114.db2.gz PCUUSCONGCECCS-AWEZNQCLSA-N 0 0 302.374 2.079 10 30 DEEERN C=CCCn1cc(C(=O)N[C@H](CC)c2c(C)nn(C)c2C)nn1 ZINC000424690477 405150793 /nfs/dbraw/zinc/15/07/93/405150793.db2.gz LXDPQRVJIZNLDP-CYBMUJFWSA-N 0 0 316.409 2.086 10 30 DEEERN C=CCC1(C(=O)NCC(=O)N(C)C2CCCCC2)CCOCC1 ZINC000424709475 405155916 /nfs/dbraw/zinc/15/59/16/405155916.db2.gz SXKWNGLRKNAIPS-UHFFFAOYSA-N 0 0 322.449 2.267 10 30 DEEERN C#CC[C@@H](NC(=O)N1CCn2cc(C)nc2C1)c1ccccc1 ZINC000367785710 405153225 /nfs/dbraw/zinc/15/32/25/405153225.db2.gz WCBSIPVSOQWYGT-MRXNPFEDSA-N 0 0 308.385 2.481 10 30 DEEERN C=CCCCN1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000367866556 405178027 /nfs/dbraw/zinc/17/80/27/405178027.db2.gz SBRPCVFHNFBQHK-LSDHHAIUSA-N 0 0 300.402 2.462 10 30 DEEERN Cc1ncc(S(=O)(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)cc1C#N ZINC000408363358 405185947 /nfs/dbraw/zinc/18/59/47/405185947.db2.gz WHPSXWJWVUNZQS-BLLLJJGKSA-N 0 0 319.430 2.463 10 30 DEEERN C=C(C)C(C)(C)C(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000424870453 405201887 /nfs/dbraw/zinc/20/18/87/405201887.db2.gz YUYIXABIBZKQLJ-LBPRGKRZSA-N 0 0 321.446 2.418 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1ccc(C(=O)OC)cc1 ZINC000424935130 405215390 /nfs/dbraw/zinc/21/53/90/405215390.db2.gz WTSLCQSDKJUTHN-HOTGVXAUSA-N 0 0 317.385 2.113 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCc1nc(C(C)C)no1 ZINC000425431942 405289577 /nfs/dbraw/zinc/28/95/77/405289577.db2.gz GOEORDKJWFMZRS-STQMWFEESA-N 0 0 322.409 2.016 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@@H]2CCCc3c(F)cccc32)C1=O ZINC000419965587 405275788 /nfs/dbraw/zinc/27/57/88/405275788.db2.gz KBQCHMTVTDBWBD-LSDHHAIUSA-N 0 0 318.348 2.326 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1ncc(CC)s1 ZINC000425441002 405290776 /nfs/dbraw/zinc/29/07/76/405290776.db2.gz DYIFDUQYGCZZLW-AAEUAGOBSA-N 0 0 309.435 2.138 10 30 DEEERN C=C(C)CCNC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 ZINC000452722797 405233537 /nfs/dbraw/zinc/23/35/37/405233537.db2.gz LGFMZAXOOHKZQL-UHFFFAOYSA-N 0 0 303.362 2.299 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)SCc1ccnc(OC)n1 ZINC000419511824 405254126 /nfs/dbraw/zinc/25/41/26/405254126.db2.gz YUNQRFWLAJVZFQ-LBPRGKRZSA-N 0 0 307.419 2.308 10 30 DEEERN C=CCCS(=O)(=O)NC[C@H](CC(C)C)C(=O)OC(C)(C)C ZINC000425189357 405255326 /nfs/dbraw/zinc/25/53/26/405255326.db2.gz MHOMDHBXGKXEEK-ZDUSSCGKSA-N 0 0 319.467 2.486 10 30 DEEERN C=CCn1cc(CNC(=O)Nc2ccc(CC)c(OC)c2)nn1 ZINC000425674133 405312655 /nfs/dbraw/zinc/31/26/55/405312655.db2.gz CCSYDLZSBJUNBB-UHFFFAOYSA-N 0 0 315.377 2.357 10 30 DEEERN CC#CCCNC(=O)c1cnn(-c2ccncc2)c1C(F)F ZINC000427067562 405387862 /nfs/dbraw/zinc/38/78/62/405387862.db2.gz PYPJIBZSCFYQKZ-UHFFFAOYSA-N 0 0 304.300 2.348 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000455431231 405408795 /nfs/dbraw/zinc/40/87/95/405408795.db2.gz WLKAGRSNAKDLQX-OWTLIXCDSA-N 0 0 300.349 2.407 10 30 DEEERN C=CCCCCCN(C)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000429472071 405432220 /nfs/dbraw/zinc/43/22/20/405432220.db2.gz SDOSIAPZUKKAGY-KFWWJZLASA-N 0 0 307.438 2.384 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N1CCc2nc(COC)ncc2C1 ZINC000633154764 405469227 /nfs/dbraw/zinc/46/92/27/405469227.db2.gz XFJFRDFXSSJJPH-CYBMUJFWSA-N 0 0 318.421 2.436 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)C1 ZINC000633157725 405473086 /nfs/dbraw/zinc/47/30/86/405473086.db2.gz CJGYHHRIPBJLNV-GFCCVEGCSA-N 0 0 302.349 2.404 10 30 DEEERN C=CCn1c(N2CC[C@H](C)[C@H](OC)C2)nnc1[C@@]1(C)CCCO1 ZINC000556444507 405482216 /nfs/dbraw/zinc/48/22/16/405482216.db2.gz AANYSGHPLMTHKJ-JJRVBVJISA-N 0 0 320.437 2.351 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000633174128 405483047 /nfs/dbraw/zinc/48/30/47/405483047.db2.gz YSZKLVFLRFXXJM-MRXNPFEDSA-N 0 0 324.513 2.304 10 30 DEEERN C=CCCCNC(=O)N(CCN1CCOCC1)Cc1ccco1 ZINC000458723464 405558517 /nfs/dbraw/zinc/55/85/17/405558517.db2.gz KXCYVDJGKSQJSG-UHFFFAOYSA-N 0 0 321.421 2.090 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000633283588 405547829 /nfs/dbraw/zinc/54/78/29/405547829.db2.gz OWOXCWIUKKDDLE-UGUYLWEFSA-N 0 0 308.422 2.367 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000456762821 405555013 /nfs/dbraw/zinc/55/50/13/405555013.db2.gz GLRRAIWOGCNJSO-HNNXBMFYSA-N 0 0 314.385 2.316 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)Cc1cscc1Br ZINC000456763418 405555172 /nfs/dbraw/zinc/55/51/72/405555172.db2.gz HDZBOGXUQRRAQC-JTQLQIEISA-N 0 0 318.236 2.496 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000633410720 405628076 /nfs/dbraw/zinc/62/80/76/405628076.db2.gz ATXSEVZCEKKJIW-STQMWFEESA-N 0 0 316.467 2.196 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1C[C@@H](C)S(=O)(=O)[C@H](C)C1 ZINC000633410893 405628344 /nfs/dbraw/zinc/62/83/44/405628344.db2.gz GDVNJRSVWXFQAT-CHWSQXEVSA-N 0 0 316.467 2.196 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1nn(C2CCOCC2)cc1C ZINC000633321738 405572403 /nfs/dbraw/zinc/57/24/03/405572403.db2.gz ZXQGCDAFJVDEOP-CABCVRRESA-N 0 0 319.405 2.006 10 30 DEEERN C=CCCCCCNC(=O)N1CCc2nc(COC)ncc2C1 ZINC000633338684 405578481 /nfs/dbraw/zinc/57/84/81/405578481.db2.gz WJCDAOWZALVYLP-UHFFFAOYSA-N 0 0 318.421 2.437 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H](C)S(=O)(=O)Cc1ccccc1 ZINC000558480105 405665866 /nfs/dbraw/zinc/66/58/66/405665866.db2.gz AAQYAUISODTRCJ-CQSZACIVSA-N 0 0 307.415 2.191 10 30 DEEERN C=CCOCCCNC(=O)[C@@H](C)n1ccc(C(F)(F)F)n1 ZINC000633628968 405754299 /nfs/dbraw/zinc/75/42/99/405754299.db2.gz ZSNWYSADUWCEEN-SNVBAGLBSA-N 0 0 305.300 2.172 10 30 DEEERN Cc1nnc(N2CC[C@@H](c3nc(C4CC4)no3)C2)c(C#N)c1C ZINC000583617599 405776326 /nfs/dbraw/zinc/77/63/26/405776326.db2.gz IVKLODYUTRCFRN-GFCCVEGCSA-N 0 0 310.361 2.219 10 30 DEEERN C=CCC(C)(C)CNC(=O)N(CCOC)Cc1ccnn1C ZINC000432562041 405782220 /nfs/dbraw/zinc/78/22/20/405782220.db2.gz HJWYEPWKOLGSJX-UHFFFAOYSA-N 0 0 308.426 2.180 10 30 DEEERN CNC(=O)Nc1cccc(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000530671601 405842563 /nfs/dbraw/zinc/84/25/63/405842563.db2.gz KNXCLTXGMYEHRI-UHFFFAOYSA-N 0 0 308.341 2.491 10 30 DEEERN C=C1CC(C)(C(=O)N2CCN(c3cncc(OC)c3)CC2)C1 ZINC000636274363 405856104 /nfs/dbraw/zinc/85/61/04/405856104.db2.gz OQXUHTYZCCNFQG-UHFFFAOYSA-N 0 0 301.390 2.095 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1ccc(=O)n(CCCOC)n1 ZINC000633966865 405935389 /nfs/dbraw/zinc/93/53/89/405935389.db2.gz URGNITBHZHKYCV-UHFFFAOYSA-N 0 0 321.421 2.002 10 30 DEEERN CC(=O)Nc1cccc(CNC(=O)Cc2cccc(C#N)c2)c1 ZINC000531384845 405950362 /nfs/dbraw/zinc/95/03/62/405950362.db2.gz QPNLGJRXAPBRNH-UHFFFAOYSA-N 0 0 307.353 2.376 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCC1(NC(=O)[C@@H](C)CC(=C)C)COC1 ZINC000633918066 405907382 /nfs/dbraw/zinc/90/73/82/405907382.db2.gz ZWFAOFCSNNKSPO-GJZGRUSLSA-N 0 0 322.449 2.192 10 30 DEEERN CC#CCCNC(=O)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000450473922 405917532 /nfs/dbraw/zinc/91/75/32/405917532.db2.gz IJLCPXXUGJKSJM-UHFFFAOYSA-N 0 0 322.792 2.436 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)Nc1cccc2c1NC(=O)CO2 ZINC000636368808 405919372 /nfs/dbraw/zinc/91/93/72/405919372.db2.gz LOSMZHKNBDYYPW-MRXNPFEDSA-N 0 0 304.346 2.185 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1c(C)noc1C ZINC000636620317 406028657 /nfs/dbraw/zinc/02/86/57/406028657.db2.gz BSLCFRMUJFUESH-UHFFFAOYSA-N 0 0 307.394 2.016 10 30 DEEERN C=CCC1(C(=O)NCCc2ccc3c(c2)OCO3)CCOCC1 ZINC000566106887 406085906 /nfs/dbraw/zinc/08/59/06/406085906.db2.gz BPHPYPSCQLPZSR-UHFFFAOYSA-N 0 0 317.385 2.447 10 30 DEEERN C=CCOCC(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000464987652 406090653 /nfs/dbraw/zinc/09/06/53/406090653.db2.gz UKXVDOVWUQGSFF-HUUCEWRRSA-N 0 0 309.406 2.159 10 30 DEEERN C=C(C)CN(C)C(=O)Cc1nnc(-c2ccccc2OC)o1 ZINC000632323835 406092582 /nfs/dbraw/zinc/09/25/82/406092582.db2.gz HABXDVOMEWABLN-UHFFFAOYSA-N 0 0 301.346 2.322 10 30 DEEERN CC#CCCNC(=O)C(C)(C)n1cc(C)c(C(F)(F)F)n1 ZINC000632331697 406094339 /nfs/dbraw/zinc/09/43/39/406094339.db2.gz RRLVIEMCRZGWBN-UHFFFAOYSA-N 0 0 301.312 2.475 10 30 DEEERN CC(=O)N(C)c1ccc(C(=O)Nc2cc(CC#N)ccn2)cc1 ZINC000567165867 406094453 /nfs/dbraw/zinc/09/44/53/406094453.db2.gz YUBNYKAZKSWAOW-UHFFFAOYSA-N 0 0 308.341 2.383 10 30 DEEERN C=CCOc1cccc(NS(=O)(=O)C[C@@H](OC)C2CC2)c1 ZINC000567265207 406095321 /nfs/dbraw/zinc/09/53/21/406095321.db2.gz DCYSVSCGBGQBIC-OAHLLOKOSA-N 0 0 311.403 2.418 10 30 DEEERN C=CCN(CCc1ccco1)S(=O)(=O)CC1(OC)CCC1 ZINC000632187532 406039315 /nfs/dbraw/zinc/03/93/15/406039315.db2.gz BMVWMBGFPPTGSI-UHFFFAOYSA-N 0 0 313.419 2.209 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](COC)c1ccccc1 ZINC000636643764 406040344 /nfs/dbraw/zinc/04/03/44/406040344.db2.gz XRPPKPWWBSZZLN-OAHLLOKOSA-N 0 0 318.417 2.209 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCC[C@H]1CCO[C@@H](C)C1 ZINC000514872450 406056036 /nfs/dbraw/zinc/05/60/36/406056036.db2.gz HKUADDCKDALYHM-GJZGRUSLSA-N 0 0 310.438 2.170 10 30 DEEERN C=CCOCCCC(=O)N1CCc2nnn(C3CC(C)C3)c2C1 ZINC000634226370 406062973 /nfs/dbraw/zinc/06/29/73/406062973.db2.gz PDCLDDIXFFMYNK-UHFFFAOYSA-N 0 0 318.421 2.117 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000564772627 406065627 /nfs/dbraw/zinc/06/56/27/406065627.db2.gz YEUWCQIWPOUGTK-QZWWFDLISA-N 0 0 322.449 2.426 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@](C)(O)[C@H](C)c1ccccc1 ZINC000564859370 406066412 /nfs/dbraw/zinc/06/64/12/406066412.db2.gz SIAJSWFHPWPJEO-VKZRIFJHSA-N 0 0 303.402 2.248 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000636737918 406068216 /nfs/dbraw/zinc/06/82/16/406068216.db2.gz RRCGTKIENWXGNJ-BTTYYORXSA-N 0 0 310.438 2.167 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@]1(COC)CCOC1 ZINC000460006204 406073054 /nfs/dbraw/zinc/07/30/54/406073054.db2.gz FOPJEUCKNMJDSX-SFHVURJKSA-N 0 0 319.401 2.263 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H](C)c1nc(C)cs1 ZINC000636757508 406073588 /nfs/dbraw/zinc/07/35/88/406073588.db2.gz MTBKGRFTWKMPBS-LLVKDONJSA-N 0 0 323.462 2.390 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000636772090 406077130 /nfs/dbraw/zinc/07/71/30/406077130.db2.gz SWAUFZYHNCJBQL-MGPQQGTHSA-N 0 0 322.449 2.025 10 30 DEEERN C=C(C)Cn1c(N(C)C[C@H]2CCCO2)nnc1[C@]1(C)CCCO1 ZINC000517294896 406125478 /nfs/dbraw/zinc/12/54/78/406125478.db2.gz AGOYBEVTQMPUTF-PBHICJAKSA-N 0 0 320.437 2.495 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)[C@](C)(OC)C1CC1 ZINC000636962273 406134270 /nfs/dbraw/zinc/13/42/70/406134270.db2.gz DSZGOBKDQPQWQC-UGSOOPFHSA-N 0 0 324.465 2.415 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)C[C@H]1CCCCO1 ZINC000632448875 406143541 /nfs/dbraw/zinc/14/35/41/406143541.db2.gz IFZZIPLDMCSXMU-CQSZACIVSA-N 0 0 310.438 2.123 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(OC)c(COC)c1 ZINC000634480137 406147286 /nfs/dbraw/zinc/14/72/86/406147286.db2.gz AVOVSAQDGNHCRU-OAHLLOKOSA-N 0 0 320.389 2.251 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000567901002 406158143 /nfs/dbraw/zinc/15/81/43/406158143.db2.gz VFOBBTDXDPOJQW-IHRRRGAJSA-N 0 0 311.422 2.308 10 30 DEEERN C=CCCCCCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000519181767 406185284 /nfs/dbraw/zinc/18/52/84/406185284.db2.gz PYZCFFWERQXPPZ-UHFFFAOYSA-N 0 0 313.379 2.401 10 30 DEEERN C=C(CNC(=O)N1CCO[C@@](C)(COC)C1)c1ccccc1 ZINC000637147210 406190680 /nfs/dbraw/zinc/19/06/80/406190680.db2.gz GSVLGTQMOKJNFB-QGZVFWFLSA-N 0 0 304.390 2.147 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000519390569 406194781 /nfs/dbraw/zinc/19/47/81/406194781.db2.gz ITBYXAVIVWENJE-GLQYFDAESA-N 0 0 317.389 2.055 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000569234324 406226405 /nfs/dbraw/zinc/22/64/05/406226405.db2.gz WZQKJGGXGFCERP-IHRRRGAJSA-N 0 0 304.394 2.237 10 30 DEEERN C=CCCCCCNC(=O)NCc1nnc(C2CCOCC2)[nH]1 ZINC000637255912 406230444 /nfs/dbraw/zinc/23/04/44/406230444.db2.gz PPFSGUHHABVRPR-UHFFFAOYSA-N 0 0 321.425 2.244 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)N1CC(COC)(C2CC2)C1 ZINC000632716556 406239090 /nfs/dbraw/zinc/23/90/90/406239090.db2.gz YVFSEKAIIVDSQZ-UHFFFAOYSA-N 0 0 322.449 2.076 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCOC[C@@H]1c1ccnn1C ZINC000637324707 406258822 /nfs/dbraw/zinc/25/88/22/406258822.db2.gz YGIVCTCDXCKGIF-CQSZACIVSA-N 0 0 306.410 2.105 10 30 DEEERN C=CCN(C(=O)NC[C@H](n1cccn1)C(F)(F)F)C1CC1 ZINC000637334389 406263836 /nfs/dbraw/zinc/26/38/36/406263836.db2.gz QLJUXRMCUNBUIY-NSHDSACASA-N 0 0 302.300 2.347 10 30 DEEERN C=CCN(CC=C)C(=O)NC[C@@H](n1cccn1)C(F)(F)F ZINC000637334675 406263850 /nfs/dbraw/zinc/26/38/50/406263850.db2.gz PMMKRWAUVFQHIX-LLVKDONJSA-N 0 0 302.300 2.370 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)NCC(C)(C)C(=O)N1CCCC1 ZINC000637500312 406329137 /nfs/dbraw/zinc/32/91/37/406329137.db2.gz YSGKXGPCEAJZFY-CQSZACIVSA-N 0 0 307.438 2.385 10 30 DEEERN CC1(C#N)CCN(C(=O)Nc2cnn(-c3ccccn3)c2)CC1 ZINC000540948848 406297358 /nfs/dbraw/zinc/29/73/58/406297358.db2.gz LRKNAEIIBBWSIU-UHFFFAOYSA-N 0 0 310.361 2.425 10 30 DEEERN C=CCCCS(=O)(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000489722656 406427301 /nfs/dbraw/zinc/42/73/01/406427301.db2.gz RBLKEPCQYMKLQS-OAHLLOKOSA-N 0 0 311.403 2.062 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000637623863 406369546 /nfs/dbraw/zinc/36/95/46/406369546.db2.gz PMEIYDXPOAFIRX-MRXNPFEDSA-N 0 0 323.481 2.485 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H](C)O[C@@H]2C)cc1 ZINC000637652102 406379878 /nfs/dbraw/zinc/37/98/78/406379878.db2.gz WCLIQJZRNIUGHI-LALPHHSUSA-N 0 0 317.389 2.290 10 30 DEEERN C[C@H](CNC(=O)c1ccc(Cl)c(C#N)c1)N1CCCCC1=O ZINC000526016794 406534970 /nfs/dbraw/zinc/53/49/70/406534970.db2.gz BQIUTRQRCWGISS-LLVKDONJSA-N 0 0 319.792 2.342 10 30 DEEERN C=CCC1(C(=O)N2CC(=O)N(C)c3ccccc32)CCOCC1 ZINC000571757161 406561762 /nfs/dbraw/zinc/56/17/62/406561762.db2.gz YXGSSMQCOHQZLM-UHFFFAOYSA-N 0 0 314.385 2.369 10 30 DEEERN C=CCCn1cc(CNC[C@@]2(C)COc3ccccc3O2)nn1 ZINC000527740249 406736031 /nfs/dbraw/zinc/73/60/31/406736031.db2.gz ZGCLZYWLRPGGJR-KRWDZBQOSA-N 0 0 314.389 2.174 10 30 DEEERN C=C[C@@H]1OCC[C@H]1Nc1ncnc2c(OC)cc(OC)cc12 ZINC000573071523 406768238 /nfs/dbraw/zinc/76/82/38/406768238.db2.gz UVGJSJMAHRKDKK-OLZOCXBDSA-N 0 0 301.346 2.402 10 30 DEEERN C=CCCOCCNC(=O)C[C@H](n1ccnc1)C(F)(F)F ZINC000635738689 406718483 /nfs/dbraw/zinc/71/84/83/406718483.db2.gz ZROPOJAVRDXHMQ-NSHDSACASA-N 0 0 305.300 2.086 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000574871473 406787229 /nfs/dbraw/zinc/78/72/29/406787229.db2.gz JQJOPHFOXDVOTH-AYMQEEERSA-N 0 0 310.438 2.423 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1C1CCOCC1 ZINC000575118662 406789478 /nfs/dbraw/zinc/78/94/78/406789478.db2.gz HXMIQYOEEOHRKW-XHSDSOJGSA-N 0 0 308.422 2.178 10 30 DEEERN CCOc1c(C#N)ccc([N+](=O)[O-])c1I ZINC000575671935 406817259 /nfs/dbraw/zinc/81/72/59/406817259.db2.gz ZFEFVEDALHORGV-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN CCOC(=O)Cc1ccc(OC(F)F)c([N+](=O)[O-])c1C#N ZINC000575387525 406808167 /nfs/dbraw/zinc/80/81/67/406808167.db2.gz HIZBYIQNDRUANN-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN COC(=O)Cc1cc(OC(F)(F)F)c([N+](=O)[O-])cc1C#N ZINC000575395582 406808728 /nfs/dbraw/zinc/80/87/28/406808728.db2.gz IJXGXSXEAAXKGD-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN CCOC(=O)Cc1ccc(OC(F)(F)F)c(C#N)c1[N+](=O)[O-] ZINC000575395375 406809120 /nfs/dbraw/zinc/80/91/20/406809120.db2.gz AOAVYUGXXPDROS-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCCO[C@@H]1C(C)C ZINC000575918147 406827367 /nfs/dbraw/zinc/82/73/67/406827367.db2.gz LOSCFKQJRVUOGJ-YHUYYLMFSA-N 0 0 310.438 2.328 10 30 DEEERN C=CCCCCCNC(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000576289532 406829734 /nfs/dbraw/zinc/82/97/34/406829734.db2.gz HQXOZWYIUMTSOG-UHFFFAOYSA-N 0 0 319.409 2.030 10 30 DEEERN CCc1ccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)cc1CC ZINC000128975306 196009316 /nfs/dbraw/zinc/00/93/16/196009316.db2.gz OVBPZZZBUNVPQN-INIZCTEOSA-N 0 0 322.430 2.115 10 30 DEEERN C#CC[C@H](CC)NS(=O)(=O)c1cc(N)c(C)c(Cl)c1 ZINC000129185591 196027048 /nfs/dbraw/zinc/02/70/48/196027048.db2.gz CTPRIXGJVRTNLG-JTQLQIEISA-N 0 0 300.811 2.311 10 30 DEEERN C=CCN(C(C)C)S(=O)(=O)c1ccc(N)c2cccnc21 ZINC000130544754 196089740 /nfs/dbraw/zinc/08/97/40/196089740.db2.gz XCGWQPWGLFKNJM-UHFFFAOYSA-N 0 0 305.403 2.402 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc2cnn(CC)c2c1 ZINC000130577008 196092194 /nfs/dbraw/zinc/09/21/94/196092194.db2.gz WNDZAPZZKZJDMW-UHFFFAOYSA-N 0 0 314.389 2.419 10 30 DEEERN O=c1cccc(C(F)(F)F)n1Cc1cc(C#CCO)cs1 ZINC000132806246 196285940 /nfs/dbraw/zinc/28/59/40/196285940.db2.gz AOQUVNNIWUCXKY-UHFFFAOYSA-N 0 0 313.300 2.321 10 30 DEEERN C=CC1CCN(C(=O)N[C@H]2CCCn3nc(CC)nc32)CC1 ZINC000133067149 196308813 /nfs/dbraw/zinc/30/88/13/196308813.db2.gz RLVXOFJKKXTRRV-ZDUSSCGKSA-N 0 0 303.410 2.283 10 30 DEEERN C#CC[C@@H](CC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000133896367 196344670 /nfs/dbraw/zinc/34/46/70/196344670.db2.gz LRZKTPNTSRWOTO-SECBINFHSA-N 0 0 316.766 2.328 10 30 DEEERN CC[C@@H](CSC)NC(=O)c1cc(C#CCCO)ccc1F ZINC000133981070 196351641 /nfs/dbraw/zinc/35/16/41/196351641.db2.gz ORMAPTKWXCJYAY-ZDUSSCGKSA-N 0 0 309.406 2.431 10 30 DEEERN CS[C@H](C)CCNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000134328071 196379267 /nfs/dbraw/zinc/37/92/67/196379267.db2.gz QQSOYKBHSXPUJE-SECBINFHSA-N 0 0 302.396 2.117 10 30 DEEERN C=C(C)CN(C)S(=O)(=O)c1ccc(N)cc1Br ZINC000135284498 196459842 /nfs/dbraw/zinc/45/98/42/196459842.db2.gz GABSMSKAVWBBTN-UHFFFAOYSA-N 0 0 319.224 2.228 10 30 DEEERN C=C(C)CN(C)S(=O)(=O)c1ccc(OCCC)c(CO)c1 ZINC000135326554 196465522 /nfs/dbraw/zinc/46/55/22/196465522.db2.gz DPCFBACJOAXPKO-UHFFFAOYSA-N 0 0 313.419 2.164 10 30 DEEERN O=C(N[C@H]1CCCSC1)c1cc(C#CCCO)ccc1F ZINC000136573304 196542221 /nfs/dbraw/zinc/54/22/21/196542221.db2.gz WBJIEEUBKDFVRF-ZDUSSCGKSA-N 0 0 307.390 2.185 10 30 DEEERN C[C@H]1CN(C(=O)c2ccc(C#CCO)c(Cl)c2)CCS1 ZINC000137310278 196572125 /nfs/dbraw/zinc/57/21/25/196572125.db2.gz MDVWPIBHUPZNGN-NSHDSACASA-N 0 0 309.818 2.261 10 30 DEEERN C[C@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccc2c(c1)OCO2 ZINC000188244865 225015200 /nfs/dbraw/zinc/01/52/00/225015200.db2.gz RTZWDWIKBWMDJY-JTQLQIEISA-N 0 0 310.309 2.484 10 30 DEEERN N#Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)cc1O ZINC000188685823 225030674 /nfs/dbraw/zinc/03/06/74/225030674.db2.gz YQLASXBYZSCCMN-QGZVFWFLSA-N 0 0 324.336 2.183 10 30 DEEERN C[C@@H](CC#N)NC(=O)c1cnccc1NC(=O)OC(C)(C)C ZINC000189136413 225044328 /nfs/dbraw/zinc/04/43/28/225044328.db2.gz FNONVPGIQJYVMA-JTQLQIEISA-N 0 0 304.350 2.461 10 30 DEEERN C[C@@](C#N)(NC(=O)CN1CCCC[C@@H]1c1nccs1)C1CC1 ZINC000195369233 225204169 /nfs/dbraw/zinc/20/41/69/225204169.db2.gz GGEAZLOVKFOVAP-CJNGLKHVSA-N 0 0 318.446 2.479 10 30 DEEERN C[C@](C#N)(NC(=O)CN1CCCC[C@H]1c1nccs1)C1CC1 ZINC000249861709 225245736 /nfs/dbraw/zinc/24/57/36/225245736.db2.gz GGEAZLOVKFOVAP-XJKSGUPXSA-N 0 0 318.446 2.479 10 30 DEEERN C[C@H](NC(=O)C[C@@H]1CCCCNC1=O)C(=O)N1CCCCC1 ZINC000329244200 225852833 /nfs/dbraw/zinc/85/28/33/225852833.db2.gz PPYBEPMZAKQAJG-STQMWFEESA-N 0 0 309.410 2.491 10 30 DEEERN C[S@](=O)Cc1ccccc1NC(=O)N1CCO[C@@H](C2CC2)C1 ZINC000330152071 225972628 /nfs/dbraw/zinc/97/26/28/225972628.db2.gz WNEWBIMJMUHKBM-QRQCRPRQSA-N 0 0 322.430 2.221 10 30 DEEERN Cc1ccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(C)c1 ZINC000369233032 227028199 /nfs/dbraw/zinc/02/81/99/227028199.db2.gz QYMRJXZPJDNCGK-QGZVFWFLSA-N 0 0 312.417 2.185 10 30 DEEERN N#CC1CCC(CNc2ncnc3c2NC(=O)CS3)CC1 ZINC000369721537 227036408 /nfs/dbraw/zinc/03/64/08/227036408.db2.gz NTRMJGPULIGBTM-UHFFFAOYSA-N 0 0 303.391 2.263 10 30 DEEERN N#C[C@@H]1CN(C(=O)CCCOc2ccccc2)CCN1C1CC1 ZINC000370968776 227060565 /nfs/dbraw/zinc/06/05/65/227060565.db2.gz NOMJXDOEOZICJP-MRXNPFEDSA-N 0 0 313.401 2.044 10 30 DEEERN N#C[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)CCN1C1CC1 ZINC000370996413 227061332 /nfs/dbraw/zinc/06/13/32/227061332.db2.gz DGVFKAWYFHSHPT-QBNKABOXSA-N 0 0 313.445 2.402 10 30 DEEERN Cn1nccc1[C@H]1CCCCN1C(=O)NCC1(CC#N)CC1 ZINC000374261844 227129487 /nfs/dbraw/zinc/12/94/87/227129487.db2.gz HQCYTAUDYXZQAN-CQSZACIVSA-N 0 0 301.394 2.351 10 30 DEEERN N#CCC1(CNC(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)CC1 ZINC000375725921 227156560 /nfs/dbraw/zinc/15/65/60/227156560.db2.gz FWNRJTRASDNAJY-GFCCVEGCSA-N 0 0 315.377 2.140 10 30 DEEERN Cc1cc(C(=O)N2CCN(c3ccc(C)c(C#N)n3)CC2)c(C)o1 ZINC000302672355 230342413 /nfs/dbraw/zinc/34/24/13/230342413.db2.gz RYYKCFFMKBKTNO-UHFFFAOYSA-N 0 0 324.384 2.434 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(CCC(C)C)[nH]n1 ZINC000616821490 422519194 /nfs/dbraw/zinc/51/91/94/422519194.db2.gz HERZXKIDRFNILI-AWEZNQCLSA-N 0 0 306.410 2.408 10 30 DEEERN COc1ccc(Cl)cc1CNC(=O)Nc1nn(C)cc1C#N ZINC000610562653 422469328 /nfs/dbraw/zinc/46/93/28/422469328.db2.gz ACQGLLJMWHOJMT-UHFFFAOYSA-N 0 0 319.752 2.275 10 30 DEEERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1nn(C)cc1C#N ZINC000619320083 422529332 /nfs/dbraw/zinc/52/93/32/422529332.db2.gz HLWHOGJAAJFTGT-CBAPKCEASA-N 0 0 301.272 2.096 10 30 DEEERN N#Cc1nc(NC[C@H]2CC(=O)N(C3CC3)C2)ccc1C(F)(F)F ZINC000619697639 422531487 /nfs/dbraw/zinc/53/14/87/422531487.db2.gz JOSQOIBORGMUJU-SECBINFHSA-N 0 0 324.306 2.395 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000568198164 424917326 /nfs/dbraw/zinc/91/73/26/424917326.db2.gz VFEJUZKMRNTDFW-UHFFFAOYSA-N 0 0 324.450 2.637 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NS(=O)(=O)[C@H]1CCO[C@H]1C ZINC000416623956 424958150 /nfs/dbraw/zinc/95/81/50/424958150.db2.gz ANZIVKMDBDOMFD-IMJJTQAJSA-N 0 0 309.431 2.271 10 30 DEEERN CC1(C)OCC[C@H]1CNc1ncc(Br)cc1C#N ZINC000596547186 425027423 /nfs/dbraw/zinc/02/74/23/425027423.db2.gz YBBYJYKMFNBADC-JTQLQIEISA-N 0 0 310.195 2.943 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccn(CCC#N)n1 ZINC000596754349 425029079 /nfs/dbraw/zinc/02/90/79/425029079.db2.gz WCSWYIJOEQKPQF-UONOGXRCSA-N 0 0 301.394 3.053 10 30 DEEERN N#Cc1ccc(NC(=O)N2CCN(C(=O)C3CC3)C2)c(Cl)c1 ZINC000333570173 268143581 /nfs/dbraw/zinc/14/35/81/268143581.db2.gz RVGGPAGIBUOYAG-UHFFFAOYSA-N 0 0 318.764 2.255 10 30 DEEERN N#Cc1cccc(CC(=O)N[C@H]2CCN(c3ncccc3F)C2)c1 ZINC000530796242 268277442 /nfs/dbraw/zinc/27/74/42/268277442.db2.gz ZJGNLKSHRIENEE-HNNXBMFYSA-N 0 0 324.359 2.030 10 30 DEEERN C[C@H]1CN(c2cc(Cl)ccc2C#N)C[C@H]1N1CCOCC1 ZINC000267508900 274592224 /nfs/dbraw/zinc/59/22/24/274592224.db2.gz BBAIOCZPPKTMIV-BLLLJJGKSA-N 0 0 305.809 2.369 10 30 DEEERN C=CC[C@H](CC)NC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000281344249 277886860 /nfs/dbraw/zinc/88/68/60/277886860.db2.gz MEDXOZRSWOCOQR-SOUVJXGZSA-N 0 0 322.405 2.468 10 30 DEEERN C[C@H](N[C@@H]1CCC[C@@H]1C#N)C(=O)N1CCc2sccc2C1 ZINC000408200021 278271847 /nfs/dbraw/zinc/27/18/47/278271847.db2.gz YSMAXTQTMZNKBI-OUCADQQQSA-N 0 0 303.431 2.303 10 30 DEEERN N#C[C@H]1CN(C(=O)C2(Cc3ccccc3)CC2)CCN1C1CC1 ZINC000363319413 279490136 /nfs/dbraw/zinc/49/01/36/279490136.db2.gz IHSMELGVRYAWCF-KRWDZBQOSA-N 0 0 309.413 2.208 10 30 DEEERN CC(C)[C@H]1CCO[C@H]1C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000329457868 280390731 /nfs/dbraw/zinc/39/07/31/280390731.db2.gz QVSASPMZXIPPCZ-LGSVPQMISA-N 0 0 323.393 2.427 10 30 DEEERN CC(F)(F)CCCNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000297167528 280820590 /nfs/dbraw/zinc/82/05/90/280820590.db2.gz SEVIABOTWKVJTF-UHFFFAOYSA-N 0 0 302.346 2.413 10 30 DEEERN Cc1ccc2cc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)ccc2n1 ZINC000366475708 281139172 /nfs/dbraw/zinc/13/91/72/281139172.db2.gz BBVCEGQLAOJNNT-KRWDZBQOSA-N 0 0 320.396 2.356 10 30 DEEERN CC1(C)CN(S(=O)(=O)CCCC#N)CC2(CCCC2)O1 ZINC000190771393 281250285 /nfs/dbraw/zinc/25/02/85/281250285.db2.gz OKBKJWUXNSXLGF-UHFFFAOYSA-N 0 0 300.424 2.044 10 30 DEEERN CC(C)(CO)CCCNC(=O)NCCOc1ccc(C#N)cc1 ZINC000074736762 281554804 /nfs/dbraw/zinc/55/48/04/281554804.db2.gz FTUOFVXCDNNHCD-UHFFFAOYSA-N 0 0 319.405 2.035 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](CO)c1ccccc1 ZINC000127191297 281852244 /nfs/dbraw/zinc/85/22/44/281852244.db2.gz WQZMDWACDRGOKF-PBHICJAKSA-N 0 0 324.380 2.218 10 30 DEEERN Cc1cncc(CNC(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000134276983 282038047 /nfs/dbraw/zinc/03/80/47/282038047.db2.gz LEYMFASATDAIHO-UHFFFAOYSA-N 0 0 310.357 2.140 10 30 DEEERN CN(/N=C1\c2ccccc2NC1=O)c1cnc2ccccc2n1 ZINC000003909192 288774757 /nfs/dbraw/zinc/77/47/57/288774757.db2.gz SHKYXSLQDSZSDL-UHFFFAOYSA-N 0 0 303.325 2.422 10 30 DEEERN O=C(N[C@H]1CCc2c1cccc2O)N1CC2(C1)CCCOC2 ZINC000329551705 295387611 /nfs/dbraw/zinc/38/76/11/295387611.db2.gz PLFSRRNAAREVCH-AWEZNQCLSA-N 0 0 302.374 2.406 10 30 DEEERN Cc1nc([C@H](C)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)no1 ZINC000329860733 302634966 /nfs/dbraw/zinc/63/49/66/302634966.db2.gz XMWNXSYGGIVQGG-QAGHZCBJSA-N 0 0 323.356 2.434 10 30 DEEERN Cn1cccc1[C@H]1CCCCN1S(=O)(=O)CC1(C#N)CC1 ZINC000165815749 302981126 /nfs/dbraw/zinc/98/11/26/302981126.db2.gz BCCARMWVRNOKAX-CQSZACIVSA-N 0 0 307.419 2.186 10 30 DEEERN N#Cc1cccc(C#N)c1N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000408405611 303202280 /nfs/dbraw/zinc/20/22/80/303202280.db2.gz MWTUHOLKXDKEPZ-INIZCTEOSA-N 0 0 308.385 2.269 10 30 DEEERN COCCC1(CNC(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000163941295 325709043 /nfs/dbraw/zinc/70/90/43/325709043.db2.gz IOBIBCAIEBTWNV-ZDUSSCGKSA-N 0 0 302.374 2.258 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@](C)(O)[C@@H](C)c1ccccc1 ZINC000564859369 331816822 /nfs/dbraw/zinc/81/68/22/331816822.db2.gz SIAJSWFHPWPJEO-OWIUFQIYSA-N 0 0 303.402 2.248 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1C[C@@H](C)C[C@@H]1CC ZINC000584154916 331845883 /nfs/dbraw/zinc/84/58/83/331845883.db2.gz UKLINGOTAGENSN-AAEUAGOBSA-N 0 0 315.425 2.193 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000186654496 332940148 /nfs/dbraw/zinc/94/01/48/332940148.db2.gz KMGVMWPLBMXXJE-LBPRGKRZSA-N 0 0 323.336 2.062 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CCC[C@H]1C(C)C ZINC000518317642 332012489 /nfs/dbraw/zinc/01/24/89/332012489.db2.gz JLZARDURRMSHAG-ZDUSSCGKSA-N 0 0 315.425 2.193 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C)c(OC)c1 ZINC000569355066 332028122 /nfs/dbraw/zinc/02/81/22/332028122.db2.gz QQXCKKHHXUCMCV-GJZGRUSLSA-N 0 0 304.390 2.394 10 30 DEEERN C=CCC[C@H]1NC(=O)N(c2cccc(-c3noc(C)n3)c2)C1=O ZINC000562735897 332621674 /nfs/dbraw/zinc/62/16/74/332621674.db2.gz PRWQCNLETGRGNV-CYBMUJFWSA-N 0 0 312.329 2.436 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccn(-c2ccccc2F)n1 ZINC000572714406 332653932 /nfs/dbraw/zinc/65/39/32/332653932.db2.gz HVKOZLLXKCRXLQ-LRDDRELGSA-N 0 0 315.348 2.332 10 30 DEEERN C=CCCCCCNC(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000517038502 333136530 /nfs/dbraw/zinc/13/65/30/333136530.db2.gz DQMUQHFITDFGMY-HNNXBMFYSA-N 0 0 305.426 2.446 10 30 DEEERN CCCCCN(CC(N)=O)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180344828 333161009 /nfs/dbraw/zinc/16/10/09/333161009.db2.gz MHIVFDKAAVIUKC-UHFFFAOYSA-N 0 0 313.401 2.359 10 30 DEEERN C=CCN(C)c1nnc(CC(F)(F)F)n1C[C@@H]1CCCO1 ZINC000582062681 333195906 /nfs/dbraw/zinc/19/59/06/333195906.db2.gz VMVNJKHVTUEFJU-JTQLQIEISA-N 0 0 304.316 2.184 10 30 DEEERN C=CCC[C@H]1NC(=O)N([C@@H]2CCc3cnn(C(C)C)c3C2)C1=O ZINC000582112435 333272987 /nfs/dbraw/zinc/27/29/87/333272987.db2.gz MZWFWCDZGPNELQ-ZIAGYGMSSA-N 0 0 316.405 2.208 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C(C)(C)c1ccc(OC)c(OC)c1 ZINC000185693760 333370812 /nfs/dbraw/zinc/37/08/12/333370812.db2.gz FFPVTXLXIIHNOL-ZDUSSCGKSA-N 0 0 307.390 2.035 10 30 DEEERN N#C[C@H]1CN(C(=O)Nc2c(F)cccc2F)CCN1C1CC1 ZINC000365239678 333399841 /nfs/dbraw/zinc/39/98/41/333399841.db2.gz LWGATMGEZJESKD-NSHDSACASA-N 0 0 306.316 2.169 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 ZINC000565374984 333463217 /nfs/dbraw/zinc/46/32/17/333463217.db2.gz ZJXZOOTYNAIVIC-UHFFFAOYSA-N 0 0 300.362 2.063 10 30 DEEERN C=CCC1(C(=O)N2CCO[C@@]3(CCSC3)C2)CCOCC1 ZINC000567937117 333469159 /nfs/dbraw/zinc/46/91/59/333469159.db2.gz VSWBEYLYZYJIDL-INIZCTEOSA-N 0 0 311.447 2.094 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)C[C@H]1CCOC[C@@H]1OC ZINC000296752422 335148105 /nfs/dbraw/zinc/14/81/05/335148105.db2.gz KUFNGJJIMZMGMC-ZBFHGGJFSA-N 0 0 307.390 2.278 10 30 DEEERN C=CCCCNC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000571275141 333696054 /nfs/dbraw/zinc/69/60/54/333696054.db2.gz PVWIHKFQHBZXRI-UHFFFAOYSA-N 0 0 323.418 2.215 10 30 DEEERN C=CCSCCNC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000344183806 335228169 /nfs/dbraw/zinc/22/81/69/335228169.db2.gz TWJMHVIXJNKMPY-CHWSQXEVSA-N 0 0 300.468 2.344 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)NCCc1cccc2[nH]ccc21 ZINC000351981831 336185832 /nfs/dbraw/zinc/18/58/32/336185832.db2.gz ANLBEJRFMATJNX-UHFFFAOYSA-N 0 0 311.385 2.027 10 30 DEEERN C=CCCCN(C)C(=O)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC000583669174 336286327 /nfs/dbraw/zinc/28/63/27/336286327.db2.gz FFIHCXKWTRXXPA-GOSISDBHSA-N 0 0 300.402 2.259 10 30 DEEERN CC#CCCNC(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000361346708 336752678 /nfs/dbraw/zinc/75/26/78/336752678.db2.gz PWFSSPFGNVZNNJ-UHFFFAOYSA-N 0 0 304.390 2.349 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)NC[C@@H]1CSc2ccccc2O1 ZINC000582961650 337218960 /nfs/dbraw/zinc/21/89/60/337218960.db2.gz IQCPBTXHTZWIJR-CHWSQXEVSA-N 0 0 322.430 2.024 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(Cn2ccnc2)c1 ZINC000584406225 337320268 /nfs/dbraw/zinc/32/02/68/337320268.db2.gz WDXJXWNEQYUQNR-IRXDYDNUSA-N 0 0 311.385 2.252 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000583750160 337329178 /nfs/dbraw/zinc/32/91/78/337329178.db2.gz ZEVHZFFNEDKVEM-JSGCOSHPSA-N 0 0 319.361 2.470 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000584589810 337370408 /nfs/dbraw/zinc/37/04/08/337370408.db2.gz TWOGDJFSHQBNOU-CQSZACIVSA-N 0 0 313.401 2.230 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000537411205 337934047 /nfs/dbraw/zinc/93/40/47/337934047.db2.gz PMHGXYZJUOQZSL-LBPRGKRZSA-N 0 0 314.332 2.067 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(NC(C)=O)c1 ZINC000572474775 337981773 /nfs/dbraw/zinc/98/17/73/337981773.db2.gz PBFUEMKMDALEFP-WFASDCNBSA-N 0 0 303.362 2.358 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1ccncc1OC ZINC000515348863 337986621 /nfs/dbraw/zinc/98/66/21/337986621.db2.gz POHJFUFSYSKGPW-OBJOEFQTSA-N 0 0 305.378 2.042 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000515782733 337998480 /nfs/dbraw/zinc/99/84/80/337998480.db2.gz KWOWXOFTNDNYDX-UTXMOHQDSA-N 0 0 316.401 2.364 10 30 DEEERN C=CCn1cc(CNC(=O)N[C@H]2CCc3c2cccc3F)nn1 ZINC000521034673 340479289 /nfs/dbraw/zinc/47/92/89/340479289.db2.gz CPJKDSKMTSXNOM-HNNXBMFYSA-N 0 0 315.352 2.090 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)C2(C)CCC(F)(F)CC2)C1=O ZINC000529257667 340750930 /nfs/dbraw/zinc/75/09/30/340750930.db2.gz SXCPNQUNQBLRNG-LBPRGKRZSA-N 0 0 314.376 2.447 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1c(C)nc(C(C)C)nc1SC ZINC000545991309 341149991 /nfs/dbraw/zinc/14/99/91/341149991.db2.gz RXAJEXSZECGZIE-LLVKDONJSA-N 0 0 309.435 2.297 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000135250229 341234420 /nfs/dbraw/zinc/23/44/20/341234420.db2.gz IMWPEZRHBGNRMG-PBHICJAKSA-N 0 0 301.390 2.296 10 30 DEEERN C=CCC[C@H](NC(=O)[C@H]1CCc2cccc(O)c21)C(=O)OCC ZINC000574771675 341768485 /nfs/dbraw/zinc/76/84/85/341768485.db2.gz FRFMXRMDLVFUOH-KBPBESRZSA-N 0 0 317.385 2.436 10 30 DEEERN C=C(C)COCCNC(=O)Nc1ccc(-c2ncon2)cc1 ZINC000178198081 341949232 /nfs/dbraw/zinc/94/92/32/341949232.db2.gz UOSRVSYDLMDKRH-UHFFFAOYSA-N 0 0 302.334 2.451 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@@H]2CCc3cc(Cl)ccc32)C1=O ZINC000348465214 341952006 /nfs/dbraw/zinc/95/20/06/341952006.db2.gz OWRVTLQUBOWVPA-UONOGXRCSA-N 0 0 320.776 2.450 10 30 DEEERN CN(C)C(=O)c1ccc(CNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000530910866 500764985 /nfs/dbraw/zinc/76/49/85/500764985.db2.gz KLSISYKOQMBENK-UHFFFAOYSA-N 0 0 321.380 2.119 10 30 DEEERN Cc1c(C(=O)Nc2cc(C#N)ccn2)nnn1-c1cccc(C)c1 ZINC000436004063 533821153 /nfs/dbraw/zinc/82/11/53/533821153.db2.gz NNIMVGXZWUOSMW-UHFFFAOYSA-N 0 0 318.340 2.403 10 30 DEEERN COc1ccc(O)cc1C(=O)N(CCC#N)Cc1cccnc1 ZINC000188937708 534206821 /nfs/dbraw/zinc/20/68/21/534206821.db2.gz DNSSKOKVGHBAFB-UHFFFAOYSA-N 0 0 311.341 2.352 10 30 DEEERN COC(=O)[C@@H](CNC(=O)c1ccc(C#N)cc1C)CC(C)C ZINC000178730313 534262329 /nfs/dbraw/zinc/26/23/29/534262329.db2.gz HMOLBDWCACVHIB-CQSZACIVSA-N 0 0 302.374 2.432 10 30 DEEERN C[C@H](C(=O)Nc1ncn(C2CCCCC2)n1)N1CCOCC1 ZINC000329727015 534299059 /nfs/dbraw/zinc/29/90/59/534299059.db2.gz FAYTVNWDVWVEBB-GFCCVEGCSA-N 0 0 307.398 2.092 10 30 DEEERN C=C(C)[C@H]1OCCC[C@H]1C(=O)NCc1cc(C(=O)OC)c(C)o1 ZINC000457431063 534344165 /nfs/dbraw/zinc/34/41/65/534344165.db2.gz HVHGCVAIOGFVRE-UKRRQHHQSA-N 0 0 321.373 2.362 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1sc(-c2c(C)noc2C)nc1C ZINC000450850332 534405932 /nfs/dbraw/zinc/40/59/32/534405932.db2.gz YRRBNLSGIHSTIO-LLVKDONJSA-N 0 0 321.402 2.390 10 30 DEEERN C=C(CC)CNC(=O)N[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000454420536 534411009 /nfs/dbraw/zinc/41/10/09/534411009.db2.gz DLPCRILTRFPEPT-CYBMUJFWSA-N 0 0 317.389 2.066 10 30 DEEERN C=C(CC)CNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000454930386 534413104 /nfs/dbraw/zinc/41/31/04/534413104.db2.gz HZRKXHZCBDJWDK-HOCLYGCPSA-N 0 0 315.417 2.441 10 30 DEEERN C=CCc1ccc(OCC(=O)NCC2=CCOCC2)c(OC)c1 ZINC000452406795 534419999 /nfs/dbraw/zinc/41/99/99/534419999.db2.gz HALQOTMSEKNJOV-UHFFFAOYSA-N 0 0 317.385 2.265 10 30 DEEERN C=CCn1c(N(C)CCOCC2CC2)nnc1[C@]1(C)CCCO1 ZINC000453448009 534443258 /nfs/dbraw/zinc/44/32/58/534443258.db2.gz XRRPXQKVJQNLED-KRWDZBQOSA-N 0 0 320.437 2.353 10 30 DEEERN C=CCC(C)(C)CNC(=O)N1CCCN(c2cccnn2)CC1 ZINC000458815564 534545850 /nfs/dbraw/zinc/54/58/50/534545850.db2.gz YKAXQGCXUXKEJM-UHFFFAOYSA-N 0 0 317.437 2.301 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1n1cccn1 ZINC000455091974 534702451 /nfs/dbraw/zinc/70/24/51/534702451.db2.gz CJYWNZMVNDUZGW-KFWWJZLASA-N 0 0 306.410 2.209 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1C[C@H](OCC)[C@H]1n1cccn1 ZINC000455091973 534702486 /nfs/dbraw/zinc/70/24/86/534702486.db2.gz CJYWNZMVNDUZGW-ILXRZTDVSA-N 0 0 306.410 2.209 10 30 DEEERN CO[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2C#N)CC[C@H]1C ZINC000249139098 523733541 /nfs/dbraw/zinc/73/35/41/523733541.db2.gz FHKGWQVYCXVYNN-DVOMOZLQSA-N 0 0 302.374 2.209 10 30 DEEERN C=CCC[C@@H](NC(=O)c1cccc(NC(C)=O)c1)C(=O)OCC ZINC000456623589 534793729 /nfs/dbraw/zinc/79/37/29/534793729.db2.gz GZLWUFQEZZDESD-OAHLLOKOSA-N 0 0 318.373 2.273 10 30 DEEERN C=CCN(CCOC)C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000191962357 526295017 /nfs/dbraw/zinc/29/50/17/526295017.db2.gz VPDFGXBAPBSEPY-CABCVRRESA-N 0 0 317.385 2.222 10 30 DEEERN C=CCN(CCOC)C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000191976233 526299276 /nfs/dbraw/zinc/29/92/76/526299276.db2.gz KVZSLPDGDLQVPT-UHFFFAOYSA-N 0 0 305.300 2.110 10 30 DEEERN C=CCN(CCOC)c1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000189635319 526305170 /nfs/dbraw/zinc/30/51/70/526305170.db2.gz AOWXLVOCNJZGRQ-UHFFFAOYSA-N 0 0 308.334 2.329 10 30 DEEERN CC#CCNC(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000282715323 526370479 /nfs/dbraw/zinc/37/04/79/526370479.db2.gz KHCPEUOZRNMXLH-UHFFFAOYSA-N 0 0 315.392 2.386 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)Nc3ncc(C)o3)cc2C1=O ZINC000443926766 526411256 /nfs/dbraw/zinc/41/12/56/526411256.db2.gz LMBBKGUKDGRNGR-UHFFFAOYSA-N 0 0 311.297 2.017 10 30 DEEERN C=CCN1CCC(NS(=O)(=O)Cc2cc(C)cc(C)c2)CC1 ZINC000337080177 526450763 /nfs/dbraw/zinc/45/07/63/526450763.db2.gz WYYPCRSHVATHNZ-UHFFFAOYSA-N 0 0 322.474 2.373 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)N1CCC(c2ccc(C)nc2)CC1 ZINC000410800769 526471420 /nfs/dbraw/zinc/47/14/20/526471420.db2.gz RREWXJHIAXSBHW-UHFFFAOYSA-N 0 0 315.417 2.131 10 30 DEEERN C=C(C)CN(C)C(=O)NCc1c(OC)cc(OC)cc1OC ZINC000180599832 526488362 /nfs/dbraw/zinc/48/83/62/526488362.db2.gz XFCKSRPSKPLFJJ-UHFFFAOYSA-N 0 0 308.378 2.430 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)C1=O ZINC000337085034 526495567 /nfs/dbraw/zinc/49/55/67/526495567.db2.gz DBXPGIZWIOLHDQ-BSWAZPDLSA-N 0 0 312.413 2.281 10 30 DEEERN C=CCN1CC[C@H](n2c(C)nnc2-c2cccc(C#N)c2)C1=O ZINC000347801090 526517906 /nfs/dbraw/zinc/51/79/06/526517906.db2.gz UDNPJUYBUWVVEP-HNNXBMFYSA-N 0 0 307.357 2.085 10 30 DEEERN C=CCNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000342018360 526522574 /nfs/dbraw/zinc/52/25/74/526522574.db2.gz NJQRVUFQZUBHSL-UHFFFAOYSA-N 0 0 305.334 2.133 10 30 DEEERN C=C(C)CN(CC)C(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC000417464668 526534035 /nfs/dbraw/zinc/53/40/35/526534035.db2.gz RAOYGVABUOTHST-HNNXBMFYSA-N 0 0 303.362 2.341 10 30 DEEERN C=CCNC(=O)CN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195400455 526540109 /nfs/dbraw/zinc/54/01/09/526540109.db2.gz NGSHEDJCMCHEER-LBPRGKRZSA-N 0 0 323.462 2.116 10 30 DEEERN C=CCNC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175151621 526582575 /nfs/dbraw/zinc/58/25/75/526582575.db2.gz OGPZYQMDAAJAHW-OAHLLOKOSA-N 0 0 301.390 2.167 10 30 DEEERN C=CCNC(=O)NC(=O)[C@@H](C)Nc1ccc2c(c1)CCCC2 ZINC000419226204 526605479 /nfs/dbraw/zinc/60/54/79/526605479.db2.gz DDTGGGCPJZYEBY-GFCCVEGCSA-N 0 0 301.390 2.378 10 30 DEEERN C=C(C)COCCNC(=O)N[C@@H]1COc2ccc(F)cc2C1 ZINC000341440735 526644215 /nfs/dbraw/zinc/64/42/15/526644215.db2.gz MYAZJFFIWWMDCN-AWEZNQCLSA-N 0 0 308.353 2.021 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC(NC(=O)CCCCC)CC1 ZINC000287408799 526670082 /nfs/dbraw/zinc/67/00/82/526670082.db2.gz QUIDSLPYSRZUOT-UHFFFAOYSA-N 0 0 316.445 2.337 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000188539211 526713526 /nfs/dbraw/zinc/71/35/26/526713526.db2.gz DZWFWYSQLRKXEG-DCGLDWPTSA-N 0 0 311.422 2.452 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000358807136 526722008 /nfs/dbraw/zinc/72/20/08/526722008.db2.gz OXSOUDGBYDXPDK-QWHCGFSZSA-N 0 0 305.426 2.068 10 30 DEEERN C=C(C)Cn1c(CC(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC000338847426 526726780 /nfs/dbraw/zinc/72/67/80/526726780.db2.gz UIVLVOOPPPMBNR-OAHLLOKOSA-N 0 0 319.453 2.158 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1cc(-c2cccnc2)ccc1C ZINC000365416945 526731014 /nfs/dbraw/zinc/73/10/14/526731014.db2.gz DYWQLRQUIZSVEP-UHFFFAOYSA-N 0 0 307.353 2.135 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CC(O)(c2ccc(F)cc2)C1)OCC ZINC000375011126 526742899 /nfs/dbraw/zinc/74/28/99/526742899.db2.gz ARUBKWJMUIWABC-OAHLLOKOSA-N 0 0 307.365 2.227 10 30 DEEERN C#CCN(C(=O)Nc1cnn(C[C@H]2CCCO2)c1)C1CCCC1 ZINC000368098391 526776700 /nfs/dbraw/zinc/77/67/00/526776700.db2.gz JCTCNFSXROINBT-MRXNPFEDSA-N 0 0 316.405 2.472 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CC(=O)N(C(C)C)C(C)(C)C1)OCC ZINC000339365432 526805616 /nfs/dbraw/zinc/80/56/16/526805616.db2.gz VOJYWTBYPLPSQP-AWEZNQCLSA-N 0 0 310.438 2.216 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000437492246 526844226 /nfs/dbraw/zinc/84/42/26/526844226.db2.gz CFKISDPZTUYCKA-FUHWJXTLSA-N 0 0 313.397 2.455 10 30 DEEERN C=C(Cl)CNC(=O)[C@H]1CCCN1c1ncnc2ccccc21 ZINC000371016844 526890383 /nfs/dbraw/zinc/89/03/83/526890383.db2.gz GJRASBOPXWPOHI-CQSZACIVSA-N 0 0 316.792 2.467 10 30 DEEERN CC(C)(C)c1nnsc1C(=O)NC[C@@](C)(O)C(F)(F)F ZINC000331207543 526897725 /nfs/dbraw/zinc/89/77/25/526897725.db2.gz PLYJPPHRWCDWOB-SNVBAGLBSA-N 0 0 311.329 2.454 10 30 DEEERN C=CCOc1cccnc1C(=O)Nc1cncc(C(=O)OC)c1 ZINC000341982619 526969309 /nfs/dbraw/zinc/96/93/09/526969309.db2.gz LBGFCMHWDNZUTE-UHFFFAOYSA-N 0 0 313.313 2.080 10 30 DEEERN C=CCSc1ccccc1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000337111958 527009095 /nfs/dbraw/zinc/00/90/95/527009095.db2.gz OJKANGPFFCWGGO-UHFFFAOYSA-N 0 0 316.426 2.412 10 30 DEEERN C#CCO[C@H](C)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000294264749 527080340 /nfs/dbraw/zinc/08/03/40/527080340.db2.gz GTFLVVUCDSATMK-LLVKDONJSA-N 0 0 300.333 2.230 10 30 DEEERN C=CC[C@@H](CO)CNS(=O)(=O)c1cccc2ccccc21 ZINC000341161455 527081695 /nfs/dbraw/zinc/08/16/95/527081695.db2.gz ANBRUJQGVDLYKL-CYBMUJFWSA-N 0 0 305.399 2.303 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCCOc1ccc2c(c1)CCC2 ZINC000337027702 527086765 /nfs/dbraw/zinc/08/67/65/527086765.db2.gz DDYBYAZDXHYMTC-INIZCTEOSA-N 0 0 303.402 2.388 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](COC)c1cccc(Cl)c1 ZINC000289501173 527094344 /nfs/dbraw/zinc/09/43/44/527094344.db2.gz ZIHCHKIFKSGBLC-UONOGXRCSA-N 0 0 312.797 2.264 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)NCCc1nc(C)no1 ZINC000413223246 527109133 /nfs/dbraw/zinc/10/91/33/527109133.db2.gz XBKIEWMRUCOGMZ-HNNXBMFYSA-N 0 0 314.389 2.407 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC000410641275 527117394 /nfs/dbraw/zinc/11/73/94/527117394.db2.gz KVKCCXUNNMIMNV-HUUCEWRRSA-N 0 0 310.438 2.075 10 30 DEEERN C=CCCCCCN(C)C(=O)[C@H]1COCCN1CC(F)(F)F ZINC000376686510 527126618 /nfs/dbraw/zinc/12/66/18/527126618.db2.gz IONQJROQXNQBRY-CYBMUJFWSA-N 0 0 322.371 2.454 10 30 DEEERN C#CCSCCNC(=O)N(C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000136372082 527139476 /nfs/dbraw/zinc/13/94/76/527139476.db2.gz QRJJUSZSTUENAA-BBRMVZONSA-N 0 0 318.442 2.386 10 30 DEEERN C#CCSCCNC(=O)N[C@@H]1CCCc2nc(C)sc21 ZINC000374766528 527145403 /nfs/dbraw/zinc/14/54/03/527145403.db2.gz XGLCBUNLERDTLC-GFCCVEGCSA-N 0 0 309.460 2.495 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](C2CC2)C1 ZINC000376561273 527159615 /nfs/dbraw/zinc/15/96/15/527159615.db2.gz HNYVXCWGEIFOGL-ZWKOTPCHSA-N 0 0 312.413 2.441 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC)N1CCCC1=O ZINC000286416750 527162393 /nfs/dbraw/zinc/16/23/93/527162393.db2.gz BBRZVPAMVHIUPQ-DLBZAZTESA-N 0 0 312.413 2.138 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](C)CCCO ZINC000297591767 527173083 /nfs/dbraw/zinc/17/30/83/527173083.db2.gz DCDYUUHQJZBLHT-DOTOQJQBSA-N 0 0 302.418 2.329 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NS(=O)(=O)C[C@H]1CCCCO1 ZINC000285280443 527174040 /nfs/dbraw/zinc/17/40/40/527174040.db2.gz JISPSJGKKJBWAY-IAGOWNOFSA-N 0 0 321.442 2.110 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](CC)c1c(C)noc1C ZINC000348002458 527176721 /nfs/dbraw/zinc/17/67/21/527176721.db2.gz GGYBPHHJXLDWMJ-ZDUSSCGKSA-N 0 0 307.394 2.283 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccc(C)cc1OCC ZINC000360613238 527176766 /nfs/dbraw/zinc/17/67/66/527176766.db2.gz LXESKRFEIMJEAN-UHFFFAOYSA-N 0 0 318.417 2.435 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@@H](C)N(C)c1ccccc1 ZINC000284554555 527177316 /nfs/dbraw/zinc/17/73/16/527177316.db2.gz MDTHSRBYVFNECU-OAHLLOKOSA-N 0 0 317.433 2.052 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccccc1OCC ZINC000284227231 527177605 /nfs/dbraw/zinc/17/76/05/527177605.db2.gz YUSUWTDUEWXMOY-UHFFFAOYSA-N 0 0 304.390 2.126 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCc1cccc(Cl)c1 ZINC000284044861 527177813 /nfs/dbraw/zinc/17/78/13/527177813.db2.gz ROCYFCTVEGOSRW-UHFFFAOYSA-N 0 0 308.809 2.423 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21 ZINC000341886600 527185657 /nfs/dbraw/zinc/18/56/57/527185657.db2.gz JZJOXLWFUCCCHC-BZUAXINKSA-N 0 0 307.438 2.241 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21 ZINC000341886606 527186644 /nfs/dbraw/zinc/18/66/44/527186644.db2.gz JZJOXLWFUCCCHC-HRCADAONSA-N 0 0 307.438 2.241 10 30 DEEERN C=CCCCN(C)C(=O)Nc1ccc(N2CCOCC2)cn1 ZINC000190864378 527187118 /nfs/dbraw/zinc/18/71/18/527187118.db2.gz WINLZQXTWVAYQB-UHFFFAOYSA-N 0 0 304.394 2.348 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@@H](OC)c1ccc(Cl)cc1 ZINC000341605923 527196404 /nfs/dbraw/zinc/19/64/04/527196404.db2.gz ZXWUBFZYSFTKRW-ZIAGYGMSSA-N 0 0 312.797 2.264 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000338776594 527201717 /nfs/dbraw/zinc/20/17/17/527201717.db2.gz LMXGCZMFMRGVBT-RISCZKNCSA-N 0 0 308.353 2.058 10 30 DEEERN C=CCCCNC(=O)C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000359442700 527206060 /nfs/dbraw/zinc/20/60/60/527206060.db2.gz SVLBKZFJBFAXNV-UHFFFAOYSA-N 0 0 323.396 2.447 10 30 DEEERN CC(=O)c1ccc(C#N)c(NC[C@@H](C)N2CCOC[C@@H]2C)c1 ZINC000302041184 527225263 /nfs/dbraw/zinc/22/52/63/527225263.db2.gz RLLCMBFTGKOQBI-OLZOCXBDSA-N 0 0 301.390 2.282 10 30 DEEERN C=CCn1c(N2CCC[C@H](n3cncn3)C2)nnc1C(C)(C)C ZINC000290134695 527330298 /nfs/dbraw/zinc/33/02/98/527330298.db2.gz GXFMHPPJVRDPCW-ZDUSSCGKSA-N 0 0 315.425 2.195 10 30 DEEERN C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC000337822217 527347960 /nfs/dbraw/zinc/34/79/60/527347960.db2.gz SMPAPVGAPQETLH-QWHCGFSZSA-N 0 0 306.410 2.367 10 30 DEEERN C=CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC000295835460 527349659 /nfs/dbraw/zinc/34/96/59/527349659.db2.gz CZQVUOBWPUEULB-IHRRRGAJSA-N 0 0 306.410 2.319 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000338097493 527370845 /nfs/dbraw/zinc/37/08/45/527370845.db2.gz JHNGLQLVBQNTEC-GJZGRUSLSA-N 0 0 324.465 2.367 10 30 DEEERN C#Cc1ccccc1CC(=O)N1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000378022618 527462498 /nfs/dbraw/zinc/46/24/98/527462498.db2.gz AKEPTWHAZPCENC-OKZBNKHCSA-N 0 0 313.397 2.005 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCOC)[C@@H]1CC[C@@H](C)C1 ZINC000425857779 527494626 /nfs/dbraw/zinc/49/46/26/527494626.db2.gz PTFZUPJYIHBTCS-QXSJWSMHSA-N 0 0 310.438 2.424 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(=O)OC)c(C)c1 ZINC000425646781 527496022 /nfs/dbraw/zinc/49/60/22/527496022.db2.gz FZBSRTRRSBHQEB-WFASDCNBSA-N 0 0 318.373 2.494 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000337616736 527504001 /nfs/dbraw/zinc/50/40/01/527504001.db2.gz DWLOUPAROVFKIQ-GFCCVEGCSA-N 0 0 312.373 2.344 10 30 DEEERN C=CCN(C(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)C1CC1 ZINC000368584982 527544056 /nfs/dbraw/zinc/54/40/56/527544056.db2.gz WXFIMFFGYZWNAU-ZDUSSCGKSA-N 0 0 320.339 2.495 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NCCCNC(=O)c1ccccc1 ZINC000344385358 527617929 /nfs/dbraw/zinc/61/79/29/527617929.db2.gz YJPWNPRZHMCYBJ-GOSISDBHSA-N 0 0 318.417 2.152 10 30 DEEERN C=C[C@](C)(O)CC(=O)NC(C)(C)c1cc(C(F)(F)F)on1 ZINC000345969208 527631049 /nfs/dbraw/zinc/63/10/49/527631049.db2.gz XEPKXCAQFQNGMF-LBPRGKRZSA-N 0 0 306.284 2.372 10 30 DEEERN CC1(C)Cc2cccc(S(=O)(=O)N[C@@H]3CCC[C@@H]3C#N)c2O1 ZINC000407958506 527778191 /nfs/dbraw/zinc/77/81/91/527778191.db2.gz RSOXKMVDSLUCGL-CHWSQXEVSA-N 0 0 320.414 2.371 10 30 DEEERN CC1(C)[C@H](NC(=O)NCC2CCC(C#N)CC2)[C@H]2CCO[C@H]21 ZINC000374135561 527858842 /nfs/dbraw/zinc/85/88/42/527858842.db2.gz GOJFPIYFRXPRAE-CLACGNGHSA-N 0 0 305.422 2.429 10 30 DEEERN CCNC(=O)NC1(C(=O)NCC2CCC(C#N)CC2)CCCC1 ZINC000442970266 528171366 /nfs/dbraw/zinc/17/13/66/528171366.db2.gz FUXSUWXLZMJMCN-UHFFFAOYSA-N 0 0 320.437 2.064 10 30 DEEERN CC(C)[C@@H](C)CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193008119 528390222 /nfs/dbraw/zinc/39/02/22/528390222.db2.gz YVODGUJEHILSRH-LBPRGKRZSA-N 0 0 318.421 2.462 10 30 DEEERN CC(C)n1ncc2c1C[C@@H](NC(=O)c1cnn3ccncc13)CC2 ZINC000329280352 528655389 /nfs/dbraw/zinc/65/53/89/528655389.db2.gz LZYWRJPVCLFJAN-ZDUSSCGKSA-N 0 0 324.388 2.369 10 30 DEEERN CCOc1cccc(N2CCN(c3ccc(C)c(C#N)n3)CC2)n1 ZINC000302658017 528662300 /nfs/dbraw/zinc/66/23/00/528662300.db2.gz OLNDCHJWZGLNGS-UHFFFAOYSA-N 0 0 323.400 2.382 10 30 DEEERN CCO[C@@H]1C[C@@H](NC(=O)c2sccc2C#N)C12CCOCC2 ZINC000187160088 535406167 /nfs/dbraw/zinc/40/61/67/535406167.db2.gz KABIIZBGWMNUEF-CHWSQXEVSA-N 0 0 320.414 2.324 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(OC)c(C#N)c1 ZINC000248822011 536551545 /nfs/dbraw/zinc/55/15/45/536551545.db2.gz JLQSNXAFPICTGY-LXZKKBNFSA-N 0 0 314.385 2.340 10 30 DEEERN CON=Cc1ccc(C(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000255105654 623445565 /nfs/dbraw/zinc/44/55/65/623445565.db2.gz VBTLJXFIPUEADG-UHFFFAOYSA-N 0 0 323.352 2.347 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCC(=O)OC(C)C ZINC000804861270 623934738 /nfs/dbraw/zinc/93/47/38/623934738.db2.gz WJGITHLNJBOMTH-MRXNPFEDSA-N 0 0 316.401 2.262 10 30 DEEERN COc1ccc(CN2C[C@H](OC)C[C@@H]2c2ncc[nH]2)cc1C#N ZINC000888079139 625060432 /nfs/dbraw/zinc/06/04/32/625060432.db2.gz DIGWMKIQPKKHRM-HUUCEWRRSA-N 0 0 312.373 2.252 10 30 DEEERN C#CC[C@@H](OC(=O)CSc1nnnn1C1CCCC1)C(C)C ZINC000177737343 625074312 /nfs/dbraw/zinc/07/43/12/625074312.db2.gz SNSIPENHXDLQCG-CYBMUJFWSA-N 0 0 322.434 2.471 10 30 DEEERN C#CCN(CC(=O)Nc1nc2c(s1)CCC2)C1CCCC1 ZINC000155740924 625141689 /nfs/dbraw/zinc/14/16/89/625141689.db2.gz QXZPYVUSIWSLOA-UHFFFAOYSA-N 0 0 303.431 2.448 10 30 DEEERN C#CCOc1ccccc1NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000188091372 625153452 /nfs/dbraw/zinc/15/34/52/625153452.db2.gz RNZFDXVVUUEVND-UHFFFAOYSA-N 0 0 317.389 2.077 10 30 DEEERN C=C(COC(=O)c1ccn(-c2ccccc2)n1)C(=O)OCC ZINC000734027251 633313035 /nfs/dbraw/zinc/31/30/35/633313035.db2.gz PDCGSQDGWQYMJW-UHFFFAOYSA-N 0 0 300.314 2.148 10 30 DEEERN C=C(COC(=O)c1[nH]c(C)c(C(C)=O)c1CC)C(=O)OCC ZINC000734028504 633313228 /nfs/dbraw/zinc/31/32/28/633313228.db2.gz CQYLVXFLNTXWTN-UHFFFAOYSA-N 0 0 307.346 2.364 10 30 DEEERN C=C(COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)C(=O)OCC ZINC000734027115 633313262 /nfs/dbraw/zinc/31/32/62/633313262.db2.gz GZCJORYUDVBPGN-UHFFFAOYSA-N 0 0 318.285 2.352 10 30 DEEERN C=C(COC(=O)c1cnc(OCC)c(Cl)c1)C(=O)OCC ZINC000734037407 633314332 /nfs/dbraw/zinc/31/43/32/633314332.db2.gz VLZISBPWPBGPSM-UHFFFAOYSA-N 0 0 313.737 2.410 10 30 DEEERN C#CCOc1ccccc1CNC(=O)c1cccc(OC)c1O ZINC000734106943 633331595 /nfs/dbraw/zinc/33/15/95/633331595.db2.gz VJTHYEOYRURYOO-UHFFFAOYSA-N 0 0 311.337 2.343 10 30 DEEERN C=CCOCC(=O)Oc1ccc(OCc2nc(C)no2)cc1 ZINC000734397890 633366703 /nfs/dbraw/zinc/36/67/03/633366703.db2.gz KKEHQOPFVHTPAV-UHFFFAOYSA-N 0 0 304.302 2.065 10 30 DEEERN C=CCNC(=O)[C@@H](C)OC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000735161339 633479457 /nfs/dbraw/zinc/47/94/57/633479457.db2.gz VPDYBPYVIIOVQS-SNVBAGLBSA-N 0 0 304.321 2.463 10 30 DEEERN C=C(Cl)CNC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000736398281 633618390 /nfs/dbraw/zinc/61/83/90/633618390.db2.gz YQWHNPJSLFWKFO-LLVKDONJSA-N 0 0 305.769 2.380 10 30 DEEERN Cc1cccn2c1ncc(C(=O)Oc1ccc(C#N)cc1)c2=O ZINC000091104553 634326073 /nfs/dbraw/zinc/32/60/73/634326073.db2.gz HAOHXFOBFGBMPF-UHFFFAOYSA-N 0 0 305.293 2.094 10 30 DEEERN Cc1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)c(C)s1 ZINC000178716374 636183011 /nfs/dbraw/zinc/18/30/11/636183011.db2.gz MGOZWLWZJTUCJO-SNVBAGLBSA-N 0 0 300.343 2.116 10 30 DEEERN C[C@@H](C(=O)NCc1ccc(OCC#N)cc1)C1CCOCC1 ZINC000178853987 636391992 /nfs/dbraw/zinc/39/19/92/636391992.db2.gz NIIHLYTUEQNDJG-CYBMUJFWSA-N 0 0 302.374 2.268 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000015801007 636545111 /nfs/dbraw/zinc/54/51/11/636545111.db2.gz LLGBJHKVRMXQRH-JTQLQIEISA-N 0 0 322.324 2.134 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)CCc1ccnn1C ZINC000187183844 637234740 /nfs/dbraw/zinc/23/47/40/637234740.db2.gz NLXGBVMAFOUUNV-UHFFFAOYSA-N 0 0 301.321 2.143 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000186658500 637350203 /nfs/dbraw/zinc/35/02/03/637350203.db2.gz IISFZHSFXMBQDU-HNNXBMFYSA-N 0 0 311.447 2.444 10 30 DEEERN C#CCSCCNC(=O)N[C@H]1COc2c1ccc(C)c2C ZINC000740046436 637779195 /nfs/dbraw/zinc/77/91/95/637779195.db2.gz HKNLMEIQWQAIFW-AWEZNQCLSA-N 0 0 304.415 2.403 10 30 DEEERN C=CCCO[C@H](C)C(=O)O[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000740237404 637828359 /nfs/dbraw/zinc/82/83/59/637828359.db2.gz HKVCPWXTZAHEJD-IUODEOHRSA-N 0 0 317.341 2.297 10 30 DEEERN C=CCN(CC(=O)OCC)Cc1ccc(F)cc1C(=O)OC ZINC000103470536 637887340 /nfs/dbraw/zinc/88/73/40/637887340.db2.gz NWQQHHRFYLWBIZ-UHFFFAOYSA-N 0 0 309.337 2.163 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=S)NC[C@@H]1CCCO1 ZINC000741502936 637990289 /nfs/dbraw/zinc/99/02/89/637990289.db2.gz PXOCDQYCSCAONU-LBPRGKRZSA-N 0 0 308.378 2.303 10 30 DEEERN C=CCOc1ccc(OC(=O)[C@]23CCC(=O)N2CCS3)cc1 ZINC000742862040 638102376 /nfs/dbraw/zinc/10/23/76/638102376.db2.gz MVTJNBZVFXKDME-MRXNPFEDSA-N 0 0 319.382 2.222 10 30 DEEERN C=C(C)CCOC(=O)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000744303422 638208012 /nfs/dbraw/zinc/20/80/12/638208012.db2.gz AFLWLDWFKUQTQD-UHFFFAOYSA-N 0 0 312.387 2.368 10 30 DEEERN COc1ccc(CNS(=O)(=O)c2cccs2)cc1C#N ZINC000746680850 638369302 /nfs/dbraw/zinc/36/93/02/638369302.db2.gz RPPJCAFGJVIAKA-UHFFFAOYSA-N 0 0 308.384 2.107 10 30 DEEERN COc1ccc(CNC(=O)N(C)C[C@H]2CCCCO2)cc1C#N ZINC000746768365 638376084 /nfs/dbraw/zinc/37/60/84/638376084.db2.gz LNKWVBPJUFZGAD-OAHLLOKOSA-N 0 0 317.389 2.277 10 30 DEEERN C#CC[C@H](OC(=O)CSCC(=O)N1CCCCC1)C(C)C ZINC000747195263 638417706 /nfs/dbraw/zinc/41/77/06/638417706.db2.gz AQOXVKKIRDCOGQ-AWEZNQCLSA-N 0 0 311.447 2.323 10 30 DEEERN C=C(C)CN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OC)cc1 ZINC000747230120 638421089 /nfs/dbraw/zinc/42/10/89/638421089.db2.gz DVIDRFBCTFLGFK-DHZHZOJOSA-N 0 0 323.414 2.460 10 30 DEEERN COc1ccc(CNC(=O)Nc2ccc(F)nc2)cc1C#N ZINC000747358038 638431007 /nfs/dbraw/zinc/43/10/07/638431007.db2.gz MBRQVLZSIXBSGP-UHFFFAOYSA-N 0 0 300.293 2.423 10 30 DEEERN CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747429803 638436692 /nfs/dbraw/zinc/43/66/92/638436692.db2.gz AIGHNVBGUOMHBO-OAHLLOKOSA-N 0 0 317.389 2.277 10 30 DEEERN COC(=O)/C(C)=C/COC(=O)CSc1ccc(C#N)cc1 ZINC000748188136 638524827 /nfs/dbraw/zinc/52/48/27/638524827.db2.gz YQWGGOUGLDKAFC-YRNVUSSQSA-N 0 0 305.355 2.313 10 30 DEEERN COC(=O)/C(C)=C/COC(=O)c1cc2ccccc2n1CC#N ZINC000748189765 638525479 /nfs/dbraw/zinc/52/54/79/638525479.db2.gz XCNQWDFHUZCCAS-KPKJPENVSA-N 0 0 312.325 2.441 10 30 DEEERN C=C(Br)CNC(=O)NCC1CCC(OC)CC1 ZINC000750274684 638731036 /nfs/dbraw/zinc/73/10/36/638731036.db2.gz AULZQFMXNHTECQ-UHFFFAOYSA-N 0 0 305.216 2.399 10 30 DEEERN N#Cc1cccc(CC(=O)OCc2cn(-c3ccccc3)nn2)c1 ZINC000750428118 638743783 /nfs/dbraw/zinc/74/37/83/638743783.db2.gz CQIGMPKFOMOIBH-UHFFFAOYSA-N 0 0 318.336 2.425 10 30 DEEERN C[C@H](OC(=O)Cc1cccc(C#N)c1)C(=O)NC1CCCCC1 ZINC000750430096 638743959 /nfs/dbraw/zinc/74/39/59/638743959.db2.gz IUMFJPANEIFQKQ-ZDUSSCGKSA-N 0 0 314.385 2.481 10 30 DEEERN COc1ccc(NC(=O)COC(=O)Cc2cccc(C#N)c2)cc1 ZINC000750432647 638744657 /nfs/dbraw/zinc/74/46/57/638744657.db2.gz JSSNADPYOFMVPM-UHFFFAOYSA-N 0 0 324.336 2.291 10 30 DEEERN CC(C)N1CCC[C@H](OC(=O)Cc2cccc(C#N)c2)C1=O ZINC000750433758 638744976 /nfs/dbraw/zinc/74/49/76/638744976.db2.gz HBRMSVQJCSZAMT-HNNXBMFYSA-N 0 0 300.358 2.043 10 30 DEEERN COCCN(CCC#N)C(=O)Nc1ccc2c(c1)CCCN2C ZINC000750593071 639007350 /nfs/dbraw/zinc/00/73/50/639007350.db2.gz ACTXBUCJADRLII-UHFFFAOYSA-N 0 0 316.405 2.463 10 30 DEEERN C#CC[C@@H](OC(=O)CSCC(=O)N1CCCCC1)C1CC1 ZINC000750776063 639027070 /nfs/dbraw/zinc/02/70/70/639027070.db2.gz VEAJZOIFFVFPML-CQSZACIVSA-N 0 0 309.431 2.077 10 30 DEEERN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000750906510 639041930 /nfs/dbraw/zinc/04/19/30/639041930.db2.gz DIOQNPXPOIVCAU-CNUKPYSBSA-N 0 0 306.406 2.409 10 30 DEEERN C#CCN(CC#C)C[C@@H](O)COc1ccc(/C=C\C)cc1OC ZINC000752076565 639153712 /nfs/dbraw/zinc/15/37/12/639153712.db2.gz YQXWCMIXPJRJSM-CTEOGUNLSA-N 0 0 313.397 2.036 10 30 DEEERN C#Cc1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)nc1 ZINC000728857492 639529278 /nfs/dbraw/zinc/52/92/78/639529278.db2.gz ISGDKRIFUSFYSS-UHFFFAOYSA-N 0 0 302.337 2.179 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2)C(C)(C)C ZINC000805146745 639840800 /nfs/dbraw/zinc/84/08/00/639840800.db2.gz KQNBXOHSLRMSCH-XHDPSFHLSA-N 0 0 307.415 2.336 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2)C(C)(C)C ZINC000805146743 639840962 /nfs/dbraw/zinc/84/09/62/639840962.db2.gz KQNBXOHSLRMSCH-NHYWBVRUSA-N 0 0 307.415 2.336 10 30 DEEERN CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1 ZINC000169820107 639948475 /nfs/dbraw/zinc/94/84/75/639948475.db2.gz RXYNDTWAYCYXEZ-UHFFFAOYSA-N 0 0 313.401 2.182 10 30 DEEERN COc1cccc2[nH]cc(CCNC(=O)c3cnccc3C#N)c21 ZINC000805197013 640158962 /nfs/dbraw/zinc/15/89/62/640158962.db2.gz VFZZBSFJLGBKGC-UHFFFAOYSA-N 0 0 320.352 2.416 10 30 DEEERN C=CCN(C(=O)C(=O)NCCCc1cccc(F)c1)C(C)C ZINC000805233285 640359094 /nfs/dbraw/zinc/35/90/94/640359094.db2.gz CTSFOUIIVXPJDT-UHFFFAOYSA-N 0 0 306.381 2.298 10 30 DEEERN C=CCOCC(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000729345145 640489320 /nfs/dbraw/zinc/48/93/20/640489320.db2.gz KPBIUQNSJIULBV-CYBMUJFWSA-N 0 0 302.374 2.193 10 30 DEEERN C#CCNC(=O)COC(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000729757146 640838436 /nfs/dbraw/zinc/83/84/36/640838436.db2.gz BHYHHFBQXFVJGM-UHFFFAOYSA-N 0 0 321.376 2.285 10 30 DEEERN CCCCCCNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000078311797 641956573 /nfs/dbraw/zinc/95/65/73/641956573.db2.gz XPJKLJKADRPGPM-UHFFFAOYSA-N 0 0 315.421 2.365 10 30 DEEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCCOC1CCC1 ZINC000805528891 641982757 /nfs/dbraw/zinc/98/27/57/641982757.db2.gz XZRVNPBEEXQUEG-MRXNPFEDSA-N 0 0 311.378 2.360 10 30 DEEERN N#CC1(NC(=O)C2C[C@H]3CSC[C@@H](C2)C3=O)CCCCC1 ZINC000900463454 642378275 /nfs/dbraw/zinc/37/82/75/642378275.db2.gz CTDQUZHXBKSETE-YHWZYXNKSA-N 0 0 306.431 2.287 10 30 DEEERN C=CCCCCCCNC(=O)N1CCO[C@@H](C(=O)OCC)C1 ZINC000806003594 644172722 /nfs/dbraw/zinc/17/27/22/644172722.db2.gz MJWGVYIVWXKOAH-CQSZACIVSA-N 0 0 312.410 2.096 10 30 DEEERN C=CCN(CC=C)c1ncc(I)cn1 ZINC000165166985 644768511 /nfs/dbraw/zinc/76/85/11/644768511.db2.gz PRWWNPYERNYFHY-UHFFFAOYSA-N 0 0 301.131 2.260 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCC2(CCCC2)C1 ZINC000800775583 645303348 /nfs/dbraw/zinc/30/33/48/645303348.db2.gz PEVFTDWVBZDHFZ-CQSZACIVSA-N 0 0 318.421 2.323 10 30 DEEERN C#CCN(CC#C)Cc1cc(Br)ccc1C(=O)OC ZINC000801519022 645408361 /nfs/dbraw/zinc/40/83/61/645408361.db2.gz CCWDOKPTRGITSC-UHFFFAOYSA-N 0 0 320.186 2.304 10 30 DEEERN COc1ccc(C#N)cc1NC(=O)N1CCO[C@H](C(F)F)C1 ZINC000801621684 645424164 /nfs/dbraw/zinc/42/41/64/645424164.db2.gz ILJWYIJRDQJMFJ-LBPRGKRZSA-N 0 0 311.288 2.065 10 30 DEEERN C/C(=C/C(=O)OCCO[C@@H](C)C#N)c1ccc([N+](=O)[O-])cc1 ZINC000801855633 645451108 /nfs/dbraw/zinc/45/11/08/645451108.db2.gz NHRCKELAVFKENI-MMRAYRKESA-N 0 0 304.302 2.470 10 30 DEEERN C=CC[C@@H](NC(=O)N1CCO[C@@H](C(F)F)C1)c1ccncc1 ZINC000802172007 645491533 /nfs/dbraw/zinc/49/15/33/645491533.db2.gz XNRXWZSYAYYRRY-CHWSQXEVSA-N 0 0 311.332 2.374 10 30 DEEERN COCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CC1 ZINC000802446429 645526216 /nfs/dbraw/zinc/52/62/16/645526216.db2.gz PQWDFWAHQRITOK-UHFFFAOYSA-N 0 0 311.389 2.309 10 30 DEEERN CCOC(=O)[C@H]1CCC(=NNCCCOC)c2ccccc21 ZINC000802713666 645546268 /nfs/dbraw/zinc/54/62/68/645546268.db2.gz QYMNVMXAZXCLIY-HNNXBMFYSA-N 0 0 304.390 2.457 10 30 DEEERN C#C[C@H](C)Oc1ccc(COC(=O)CCc2ccnn2C)cc1 ZINC000802810215 645562737 /nfs/dbraw/zinc/56/27/37/645562737.db2.gz ZNCUNZMRTGZHPE-AWEZNQCLSA-N 0 0 312.369 2.497 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000803521118 645667561 /nfs/dbraw/zinc/66/75/61/645667561.db2.gz YGKOOCYXESMMFP-CQSZACIVSA-N 0 0 309.325 2.354 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)NC1CCCCCCC1 ZINC000803701370 645682715 /nfs/dbraw/zinc/68/27/15/645682715.db2.gz QNXXZQPHBRFKIJ-UHFFFAOYSA-N 0 0 303.402 2.422 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(OC)cn1 ZINC000804452074 645773075 /nfs/dbraw/zinc/77/30/75/645773075.db2.gz CQPNWANLKGNWTG-KRWDZBQOSA-N 0 0 308.381 2.384 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc2n[nH]nc2c1 ZINC000804453026 645773319 /nfs/dbraw/zinc/77/33/19/645773319.db2.gz ADVLBDNWFYEPLH-HNNXBMFYSA-N 0 0 304.353 2.322 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N1CCSCC1 ZINC000804457308 645774082 /nfs/dbraw/zinc/77/40/82/645774082.db2.gz SIEPVXGCUPWFMU-NVXWUHKLSA-N 0 0 316.470 2.175 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccnc(OC)n1 ZINC000806438473 645831271 /nfs/dbraw/zinc/83/12/71/645831271.db2.gz GHHAOEASMYFNOZ-AWEZNQCLSA-N 0 0 310.357 2.241 10 30 DEEERN C#CCOCCNC(=O)N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000807107390 645911964 /nfs/dbraw/zinc/91/19/64/645911964.db2.gz ZBRAEHZMEGSXCR-JKSUJKDBSA-N 0 0 316.401 2.182 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](C)CC(=O)OCc1ccccc1 ZINC000807150363 645915680 /nfs/dbraw/zinc/91/56/80/645915680.db2.gz RIRSQJGOPAOTCU-OAHLLOKOSA-N 0 0 311.381 2.287 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnccc1C ZINC000807336843 645941969 /nfs/dbraw/zinc/94/19/69/645941969.db2.gz LBVBTLSWVTVHRO-INIZCTEOSA-N 0 0 321.380 2.079 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cc(N2CCNC2=O)ccc1C ZINC000807434408 645949460 /nfs/dbraw/zinc/94/94/60/645949460.db2.gz LNTLUPULLUYBST-UHFFFAOYSA-N 0 0 309.369 2.126 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@]1(CC)CCOC1 ZINC000807471263 645955516 /nfs/dbraw/zinc/95/55/16/645955516.db2.gz VZWQFOSMJOGNIV-WMZOPIPTSA-N 0 0 300.402 2.489 10 30 DEEERN Cc1ccc(N2CCN(C(=O)c3cc(C#N)cn3C)CC2)cc1C ZINC000156724547 646456095 /nfs/dbraw/zinc/45/60/95/646456095.db2.gz MTZUHJBWJDQBBH-UHFFFAOYSA-N 0 0 322.412 2.476 10 30 DEEERN CCCCCCNC(=O)[C@@H](C#N)C(=O)[C@@H](C)C1CCOCC1 ZINC000165406661 646497092 /nfs/dbraw/zinc/49/70/92/646497092.db2.gz AJQKHDWTNBAHRM-ZFWWWQNUSA-N 0 0 308.422 2.454 10 30 DEEERN C[C@@H](C(=O)[C@@H](C#N)C(=O)NC1CCCCC1)C1CCOCC1 ZINC000165487229 646500220 /nfs/dbraw/zinc/50/02/20/646500220.db2.gz GRBHFFKPGGCDGD-IUODEOHRSA-N 0 0 306.406 2.207 10 30 DEEERN CNC(=O)c1cccc(NCc2cnc3ccc(C#N)cn23)c1 ZINC000158049980 646585938 /nfs/dbraw/zinc/58/59/38/646585938.db2.gz QDVJJMAFQNIBAF-UHFFFAOYSA-N 0 0 305.341 2.178 10 30 DEEERN N#Cc1cccnc1N1CCN(Cc2ccnc(Cl)c2)CC1 ZINC000170643170 646655706 /nfs/dbraw/zinc/65/57/06/646655706.db2.gz JYHKSXBFNISAMI-UHFFFAOYSA-N 0 0 313.792 2.324 10 30 DEEERN C#CCCCNC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000174268254 646799593 /nfs/dbraw/zinc/79/95/93/646799593.db2.gz QTJJZGWODKSRBW-UHFFFAOYSA-N 0 0 313.401 2.416 10 30 DEEERN C#C[C@@H](C)OC(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C ZINC000174473403 646812020 /nfs/dbraw/zinc/81/20/20/646812020.db2.gz CURYLMJRGARGIG-DOMZBBRYSA-N 0 0 303.358 2.015 10 30 DEEERN C=CCC[C@H](C)OC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000089318384 647259756 /nfs/dbraw/zinc/25/97/56/647259756.db2.gz PEOQPDBJYITYGD-JTQLQIEISA-N 0 0 301.364 2.041 10 30 DEEERN C#C[C@@H](OC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C)C1CC1 ZINC000152739596 647265592 /nfs/dbraw/zinc/26/55/92/647265592.db2.gz GCUMFTPHQWVPRE-CHWSQXEVSA-N 0 0 309.431 2.279 10 30 DEEERN C#Cc1ccc(C(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)nc1 ZINC000732084748 647540672 /nfs/dbraw/zinc/54/06/72/647540672.db2.gz APPRDKGPGMMVSL-CQSZACIVSA-N 0 0 321.384 2.009 10 30 DEEERN C=C(C)CCOC(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000174807539 647583150 /nfs/dbraw/zinc/58/31/50/647583150.db2.gz GJPSUDUWFJDFLD-UHFFFAOYSA-N 0 0 309.387 2.350 10 30 DEEERN CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1(C)C ZINC000732651990 647637270 /nfs/dbraw/zinc/63/72/70/647637270.db2.gz LWBKQVJHBFFNJM-BZUAXINKSA-N 0 0 301.434 2.424 10 30 DEEERN N#C[C@H]1CN(C(=O)c2ccc(C(F)F)cc2)CCN1C1CC1 ZINC000732651528 647637552 /nfs/dbraw/zinc/63/75/52/647637552.db2.gz BUFKUJJTFMCKEH-AWEZNQCLSA-N 0 0 305.328 2.437 10 30 DEEERN N#C[C@H]1CN(Cn2cc(-c3ccccc3)cn2)CCN1C1CC1 ZINC000732672753 647640089 /nfs/dbraw/zinc/64/00/89/647640089.db2.gz MHPZCECEDYRLTJ-SFHVURJKSA-N 0 0 307.401 2.180 10 30 DEEERN CC[C@H](Cc1ccccc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732741686 647653750 /nfs/dbraw/zinc/65/37/50/647653750.db2.gz RCMXJANEIWEELF-AEFFLSMTSA-N 0 0 311.429 2.454 10 30 DEEERN N#Cc1ccc(C(=O)OCc2noc(-c3ccccc3)n2)nc1 ZINC000733105857 647874427 /nfs/dbraw/zinc/87/44/27/647874427.db2.gz VIPAMCGNRPYMSX-UHFFFAOYSA-N 0 0 306.281 2.360 10 30 DEEERN C#CCN1CCN(C(=O)c2sc3nccc(C)c3c2C)CC1 ZINC000733161419 647894884 /nfs/dbraw/zinc/89/48/84/647894884.db2.gz PVXDONWUNAIIHT-UHFFFAOYSA-N 0 0 313.426 2.304 10 30 DEEERN CC(C)N(Cc1cnn(C)c1)C(=O)CNc1ccc(C#N)cc1 ZINC000069621533 648701967 /nfs/dbraw/zinc/70/19/67/648701967.db2.gz MOPTXWAYBNBNHA-UHFFFAOYSA-N 0 0 311.389 2.141 10 30 DEEERN N#CC1(COC(=O)c2cc(F)cc3nccnc32)CCOCC1 ZINC000183995296 649218859 /nfs/dbraw/zinc/21/88/59/649218859.db2.gz VYFKZMKKLWWKPK-UHFFFAOYSA-N 0 0 315.304 2.246 10 30 DEEERN C#CCCNC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000733248331 649463680 /nfs/dbraw/zinc/46/36/80/649463680.db2.gz WYPQKPLGGFDMON-UHFFFAOYSA-N 0 0 304.353 2.233 10 30 DEEERN C#CCC(C)(C)COC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000185358445 649508482 /nfs/dbraw/zinc/50/84/82/649508482.db2.gz JEIRVCKKTSQWEN-UHFFFAOYSA-N 0 0 308.399 2.438 10 30 DEEERN C#CCCNC(=O)c1ccc(F)cc1NC(=O)c1ccoc1 ZINC000733288022 649537245 /nfs/dbraw/zinc/53/72/45/649537245.db2.gz ZLDQVRQJABYQSH-UHFFFAOYSA-N 0 0 300.289 2.424 10 30 DEEERN C#CCCNC(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC000733288269 649537440 /nfs/dbraw/zinc/53/74/40/649537440.db2.gz HAMRZTMHHDMXLK-UHFFFAOYSA-N 0 0 310.382 2.299 10 30 DEEERN C#CCCNC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000733366503 649555344 /nfs/dbraw/zinc/55/53/44/649555344.db2.gz HNZZURMNJMBKOW-UHFFFAOYSA-N 0 0 306.365 2.223 10 30 DEEERN CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(C#N)cn1 ZINC000107448887 651445483 /nfs/dbraw/zinc/44/54/83/651445483.db2.gz YQSWLEGPKDPBFM-UHFFFAOYSA-N 0 0 308.341 2.344 10 30 DEEERN C=CCc1cc(C(=O)N[C@H](C#N)C2CC2)cc(OC)c1OC ZINC000108828166 651721484 /nfs/dbraw/zinc/72/14/84/651721484.db2.gz RXYSUVLRIXODGT-CQSZACIVSA-N 0 0 300.358 2.464 10 30 DEEERN C#CCN(CC#C)CC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000076185678 683940832 /nfs/dbraw/zinc/94/08/32/683940832.db2.gz GNPQUMWPFQHQEN-MRXNPFEDSA-N 0 0 302.805 2.476 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Oc1ccc(NC(=O)C2CC2)cc1 ZINC000081698944 683993563 /nfs/dbraw/zinc/99/35/63/683993563.db2.gz NAXXARFHHXEQSQ-UHFFFAOYSA-N 0 0 309.325 2.464 10 30 DEEERN Cn1cc(C#N)cc1C(=O)OC[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000083769672 683999182 /nfs/dbraw/zinc/99/91/82/683999182.db2.gz KCOSBDIDBFKXBU-AWEZNQCLSA-N 0 0 323.352 2.107 10 30 DEEERN CC(=O)c1cnc(NC(=O)Cc2cccc(OCC#N)c2)s1 ZINC000089811387 684026176 /nfs/dbraw/zinc/02/61/76/684026176.db2.gz KXRSNUXTMXZODJ-UHFFFAOYSA-N 0 0 315.354 2.429 10 30 DEEERN CC(C)[C@H](C#N)OC(=O)c1cnn2cc(Br)cnc12 ZINC000091693129 684038168 /nfs/dbraw/zinc/03/81/68/684038168.db2.gz DZQVPDIJYGPGTR-JTQLQIEISA-N 0 0 323.150 2.197 10 30 DEEERN C[C@H](C#N)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000125660753 684147785 /nfs/dbraw/zinc/14/77/85/684147785.db2.gz IOUWKYOTIOJVAV-LLVKDONJSA-N 0 0 303.362 2.353 10 30 DEEERN COc1cccc(C#CCOC(=O)c2cnn3c2CCCC3)c1 ZINC000125785767 684148615 /nfs/dbraw/zinc/14/86/15/684148615.db2.gz CFOTUIPPOIZDNY-UHFFFAOYSA-N 0 0 310.353 2.437 10 30 DEEERN C#CCSCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000130112756 684185249 /nfs/dbraw/zinc/18/52/49/684185249.db2.gz BOLYCHRCOSHZMM-UHFFFAOYSA-N 0 0 303.343 2.172 10 30 DEEERN C#CCSCCNC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000130748792 684192100 /nfs/dbraw/zinc/19/21/00/684192100.db2.gz MLOAAQBTSQHMMY-UHFFFAOYSA-N 0 0 307.463 2.181 10 30 DEEERN COc1ccc(CN[C@@](C)(C(N)=O)c2ccccc2)cc1C#N ZINC000135178084 684233357 /nfs/dbraw/zinc/23/33/57/684233357.db2.gz KECDHGUQGDUIND-GOSISDBHSA-N 0 0 309.369 2.057 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccncc2CC)c1 ZINC000136521057 684240271 /nfs/dbraw/zinc/24/02/71/684240271.db2.gz DWYBLPVNFSTUFY-UHFFFAOYSA-N 0 0 321.380 2.336 10 30 DEEERN C#CCN(CC(=O)Nc1cccc(C(=O)OC)c1)C1CCCC1 ZINC000155835635 684281253 /nfs/dbraw/zinc/28/12/53/684281253.db2.gz JRGVGIKSIDSPKX-UHFFFAOYSA-N 0 0 314.385 2.290 10 30 DEEERN CC#CCNC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000187317926 684336360 /nfs/dbraw/zinc/33/63/60/684336360.db2.gz HJQOSVOXBSUVAV-OLZOCXBDSA-N 0 0 309.410 2.097 10 30 DEEERN C=C[C@@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000187567668 684340738 /nfs/dbraw/zinc/34/07/38/684340738.db2.gz ZCDVMVYNUPIYJU-SNVBAGLBSA-N 0 0 315.416 2.264 10 30 DEEERN CC[C@@H](CC#N)OC(=O)CCc1nc(-c2ccncc2)no1 ZINC000187949224 684346406 /nfs/dbraw/zinc/34/64/06/684346406.db2.gz MMXXXAOZSMOFQW-LBPRGKRZSA-N 0 0 300.318 2.300 10 30 DEEERN O=C(C#Cc1ccc(C(F)(F)F)cc1)NCC1(CCO)CC1 ZINC000190556909 684408656 /nfs/dbraw/zinc/40/86/56/684408656.db2.gz GQUYAYUTYXEBIW-UHFFFAOYSA-N 0 0 311.303 2.336 10 30 DEEERN C#CCN(C)C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000191082764 684420629 /nfs/dbraw/zinc/42/06/29/684420629.db2.gz RNWZTFJMBVWHJU-UHFFFAOYSA-N 0 0 306.365 2.175 10 30 DEEERN COC(=O)c1ccc(CNC=C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000194957200 685082438 /nfs/dbraw/zinc/08/24/38/685082438.db2.gz LPTOYQHTKQFMIG-UHFFFAOYSA-N 0 0 315.369 2.405 10 30 DEEERN CC(C)(CCC#N)COC(=O)CC1(CS(C)(=O)=O)CC1 ZINC000195047828 685085335 /nfs/dbraw/zinc/08/53/35/685085335.db2.gz FSCKSGSLSUOYFK-UHFFFAOYSA-N 0 0 301.408 2.074 10 30 DEEERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](C#N)C1CC1 ZINC000245501456 685112832 /nfs/dbraw/zinc/11/28/32/685112832.db2.gz CUDPVQVRPOKDRO-MAZHCROVSA-N 0 0 313.401 2.249 10 30 DEEERN CC(=O)N1CCO[C@@H]2CCN(c3cc(Cl)ccc3C#N)C[C@H]21 ZINC000886034068 691989331 /nfs/dbraw/zinc/98/93/31/691989331.db2.gz HEYXVQNBAFBCIS-HZPDHXFCSA-N 0 0 319.792 2.038 10 30 DEEERN CCc1ccc(NC(=O)[C@@H](C#N)C(=O)C=Cc2ccncn2)cc1 ZINC000588468215 777238792 /nfs/dbraw/zinc/23/87/92/777238792.db2.gz FBISTCUGYRQEBQ-PTZVLDCSSA-N 0 0 320.352 2.400 10 30 DEEERN CC[C@H](CC#N)OC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000588558071 777415403 /nfs/dbraw/zinc/41/54/03/777415403.db2.gz IMBZUSQQXLGKDP-DEBLGDTFSA-N 0 0 322.386 2.307 10 30 DEEERN C#Cc1ccc(C(=O)NCc2ccccc2-n2cccn2)cn1 ZINC000728820706 778512631 /nfs/dbraw/zinc/51/26/31/778512631.db2.gz BMWYSCLTRGWNCR-UHFFFAOYSA-N 0 0 302.337 2.179 10 30 DEEERN N#Cc1cc(Br)cn(C[C@@H]2CC[C@@H](C3CC3)O2)c1=O ZINC000715429483 792436467 /nfs/dbraw/zinc/43/64/67/792436467.db2.gz WFAUEEUHNIODKL-STQMWFEESA-N 0 0 323.190 2.440 10 30 DEEERN C=CC[C@@H](CO)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715765339 792510888 /nfs/dbraw/zinc/51/08/88/792510888.db2.gz GPNOHEGWUQPIFE-JTQLQIEISA-N 0 0 304.159 2.320 10 30 DEEERN N#Cc1c(F)cccc1S(=O)(=O)NCC[C@H]1CCCS1 ZINC000715970022 792541315 /nfs/dbraw/zinc/54/13/15/792541315.db2.gz VAEDUXYXIKUWEC-SNVBAGLBSA-N 0 0 314.407 2.261 10 30 DEEERN C#CC[C@H](COC)NCc1snc(OC)c1Br ZINC000716829384 793008503 /nfs/dbraw/zinc/00/85/03/793008503.db2.gz RPGWWWQUNTXHKR-MRVPVSSYSA-N 0 0 319.224 2.042 10 30 DEEERN C=CCNc1ncc(C(=O)N[C@@H](CC)c2noc(C)n2)s1 ZINC000129530811 796836860 /nfs/dbraw/zinc/83/68/60/796836860.db2.gz SCZLEEOIPBKFCG-VIFPVBQESA-N 0 0 307.379 2.314 10 30 DEEERN CC[C@@H](C[C@@H](C)O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000716954231 797949003 /nfs/dbraw/zinc/94/90/03/797949003.db2.gz OUJHYKXPVCDTGN-KOLCDFICSA-N 0 0 316.810 2.039 10 30 DEEERN CC#CC[C@@H](CO)NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000717738611 799430582 /nfs/dbraw/zinc/43/05/82/799430582.db2.gz DVVFLESHHSLQFF-HBWSCVEGSA-N 0 0 313.806 2.004 10 30 DEEERN C#CC[C@H](CO)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000717771031 799469710 /nfs/dbraw/zinc/46/97/10/799469710.db2.gz WBDDCGDCKQFYHZ-GXSJLCMTSA-N 0 0 316.184 2.261 10 30 DEEERN N#CC1CCN(C(=O)c2nscc2Br)CC1 ZINC000404762456 802029673 /nfs/dbraw/zinc/02/96/73/802029673.db2.gz DEGVEMASNRTQIR-UHFFFAOYSA-N 0 0 300.181 2.281 10 30 DEEERN C#CC[C@@H](C)OC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000083790444 1081433517 /nfs/dbraw/zinc/43/35/17/1081433517.db2.gz BUGAEVJRMZWAFH-MLGOLLRUSA-N 0 0 303.358 2.218 10 30 DEEERN C#CC[C@@H](C)OC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000083790440 1081433823 /nfs/dbraw/zinc/43/38/23/1081433823.db2.gz BUGAEVJRMZWAFH-WBMJQRKESA-N 0 0 303.358 2.218 10 30 DEEERN C#CCCN(CCOC)S(=O)(=O)CCC(C)(C)C1CC1 ZINC000717933825 1081802313 /nfs/dbraw/zinc/80/23/13/1081802313.db2.gz CEVUEOPWNZNBFN-UHFFFAOYSA-N 0 0 301.452 2.114 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NCC[C@@H]1CCSC1 ZINC000704787977 1086591339 /nfs/dbraw/zinc/59/13/39/1086591339.db2.gz TZDJTIBGDGLQGR-GFCCVEGCSA-N 0 0 310.444 2.288 10 30 DEEERN C[C@@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)C[C@H](C)S1 ZINC000720037978 1089428068 /nfs/dbraw/zinc/42/80/68/1089428068.db2.gz OIISWRLITYMIOF-AOOOYVTPSA-N 0 0 314.407 2.212 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N(C)CC1(C)COC1 ZINC000624827295 365562350 /nfs/dbraw/zinc/56/23/50/365562350.db2.gz HJPXHCKGAMAAGF-UHFFFAOYSA-N 0 0 316.405 2.315 10 30 DEEERN C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C[C@@H](C)O)C1CC1 ZINC000624843640 365568558 /nfs/dbraw/zinc/56/85/58/365568558.db2.gz RUMKISRURIUQKU-DYEKYZERSA-N 0 0 306.410 2.054 10 30 DEEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CCC[C@@H](CCF)C1 ZINC000624850333 365570789 /nfs/dbraw/zinc/57/07/89/365570789.db2.gz QISXCLHASACQJB-LBPRGKRZSA-N 0 0 304.373 2.430 10 30 DEEERN C=CCn1c(-c2scnc2C)nnc1N1CC2(C1)CCCO2 ZINC000624839173 365567208 /nfs/dbraw/zinc/56/72/08/365567208.db2.gz HHMBSRYZYGPYJX-UHFFFAOYSA-N 0 0 317.418 2.265 10 30 DEEERN C=CCCCN(C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000278377417 214126252 /nfs/dbraw/zinc/12/62/52/214126252.db2.gz LHAFIMDYZIQMAA-HNNXBMFYSA-N 0 0 319.453 2.305 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2c1cccc2OC ZINC000612374346 361807901 /nfs/dbraw/zinc/80/79/01/361807901.db2.gz LXRBQJZRMCNTEK-JKSUJKDBSA-N 0 0 316.401 2.270 10 30 DEEERN C=CCNC(=O)c1csc(NC(=O)c2ccc(OC)cc2)n1 ZINC000096752097 185386226 /nfs/dbraw/zinc/38/62/26/185386226.db2.gz BHTJRQWSXZNAGW-UHFFFAOYSA-N 0 0 317.370 2.320 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000612426893 361824224 /nfs/dbraw/zinc/82/42/24/361824224.db2.gz RRRDGRAFCCXJMY-JJXSEGSLSA-N 0 0 322.449 2.311 10 30 DEEERN C#CCN(CCC)S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000096811210 185388707 /nfs/dbraw/zinc/38/87/07/185388707.db2.gz HQNOQDBWJHCLRV-UHFFFAOYSA-N 0 0 307.202 2.422 10 30 DEEERN CC[C@H]1CCCN(S(=O)(=O)c2ccc(N)cc2C#N)CC1 ZINC000079301472 185163941 /nfs/dbraw/zinc/16/39/41/185163941.db2.gz FDYSDLGFZPJWPP-LBPRGKRZSA-N 0 0 307.419 2.341 10 30 DEEERN CC[C@@H](CC#N)NC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000183887177 529447031 /nfs/dbraw/zinc/44/70/31/529447031.db2.gz FAHQWGJLQDOWGD-GXTWGEPZSA-N 0 0 319.430 2.090 10 30 DEEERN CCc1c(C(=O)N[C@@H](C#N)C2CC2)cnn1-c1ccc(OC)cc1 ZINC000186673782 529484958 /nfs/dbraw/zinc/48/49/58/529484958.db2.gz IVIFSZJVJOBOLV-INIZCTEOSA-N 0 0 324.384 2.475 10 30 DEEERN COc1ccc(C#CCCO)c(CSc2n[nH]c(C)n2)c1 ZINC000087788933 185232227 /nfs/dbraw/zinc/23/22/27/185232227.db2.gz LGIGVLDGLAANRO-UHFFFAOYSA-N 0 0 303.387 2.148 10 30 DEEERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1sccc1C#N ZINC000088198017 185241664 /nfs/dbraw/zinc/24/16/64/185241664.db2.gz AVLPBPLKAJMJOB-SNVBAGLBSA-N 0 0 301.375 2.039 10 30 DEEERN CC[C@H](C#N)NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000245644454 529583668 /nfs/dbraw/zinc/58/36/68/529583668.db2.gz LERWQXZAQCFOLX-CFVMTHIKSA-N 0 0 301.390 2.249 10 30 DEEERN CCc1ccc(NC(=O)C(=O)N(CC)C[C@@H](C)C#N)cc1F ZINC000189150624 529665779 /nfs/dbraw/zinc/66/57/79/529665779.db2.gz AVGRZYWSBFRAAR-NSHDSACASA-N 0 0 305.353 2.335 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1cncc(Br)c1C ZINC000613252172 362058612 /nfs/dbraw/zinc/05/86/12/362058612.db2.gz CRLFZVBUOKLJFA-JTQLQIEISA-N 0 0 313.195 2.067 10 30 DEEERN C=C[C@@H](O)C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000613388282 362098037 /nfs/dbraw/zinc/09/80/37/362098037.db2.gz UAKCIYRFSAXKLO-CHWSQXEVSA-N 0 0 315.291 2.152 10 30 DEEERN Cc1cc(C#N)ccc1CS(=O)(=O)CC(=O)OC(C)(C)C ZINC000166385037 197692422 /nfs/dbraw/zinc/69/24/22/197692422.db2.gz XTZJESWXLLGAIK-UHFFFAOYSA-N 0 0 309.387 2.123 10 30 DEEERN C=CCCCCNC(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC000613595253 362157420 /nfs/dbraw/zinc/15/74/20/362157420.db2.gz JATZCQJOQZYWHO-RYUDHWBXSA-N 0 0 309.328 2.443 10 30 DEEERN C[C@@H](CC#N)N(C)c1cc2c(cc1Br)C(=O)C(=O)N2 ZINC000092773547 185339862 /nfs/dbraw/zinc/33/98/62/185339862.db2.gz MKFIZAPYCAQTJU-ZETCQYMHSA-N 0 0 322.162 2.322 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC000613931099 362247443 /nfs/dbraw/zinc/24/74/43/362247443.db2.gz MRHQBCWMNNPFNK-CVEARBPZSA-N 0 0 322.449 2.455 10 30 DEEERN CN(CCCO)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000443005780 529893173 /nfs/dbraw/zinc/89/31/73/529893173.db2.gz YVWAFVNRDCOGMQ-UHFFFAOYSA-N 0 0 314.341 2.185 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000614189665 362311824 /nfs/dbraw/zinc/31/18/24/362311824.db2.gz WAHYGNYSPSBLMF-XHSDSOJGSA-N 0 0 304.365 2.269 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000103441226 185451758 /nfs/dbraw/zinc/45/17/58/185451758.db2.gz KQWZOHBUMMUSBK-ZYHUDNBSSA-N 0 0 321.327 2.078 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCSc1ccccn1 ZINC000614577065 362412014 /nfs/dbraw/zinc/41/20/14/362412014.db2.gz MJKAHKNBQIHLMV-CQSZACIVSA-N 0 0 321.446 2.151 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C1CCC(F)(F)CC1 ZINC000614892746 362484523 /nfs/dbraw/zinc/48/45/23/362484523.db2.gz QABYBVVPSAKFDQ-ZDUSSCGKSA-N 0 0 302.365 2.494 10 30 DEEERN CN1CCN(C(=O)NC[C@@H]2CCCCC(F)(F)C2)C[C@H]1C#N ZINC000330197917 530065926 /nfs/dbraw/zinc/06/59/26/530065926.db2.gz SLYQDSHXRYEUFU-CHWSQXEVSA-N 0 0 314.380 2.256 10 30 DEEERN CC(C)(C)c1ncc2c(n1)CN(C(=O)c1ccc(C#N)nc1)C2 ZINC000067446896 190708198 /nfs/dbraw/zinc/70/81/98/190708198.db2.gz LONSVDLJUSEFDQ-UHFFFAOYSA-N 0 0 307.357 2.197 10 30 DEEERN C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CNC(=O)C1 ZINC000108240072 185505280 /nfs/dbraw/zinc/50/52/80/185505280.db2.gz CPJOXWVYPFZNCL-GHMZBOCLSA-N 0 0 303.387 2.013 10 30 DEEERN CC(C)(C#N)C(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000108977151 185544934 /nfs/dbraw/zinc/54/49/34/185544934.db2.gz MXTQLBXHJKKXNR-UHFFFAOYSA-N 0 0 305.422 2.224 10 30 DEEERN Cc1noc([C@@H]2CN(c3ccc(Cl)cc3C#N)CCN2C)n1 ZINC000284609627 282409904 /nfs/dbraw/zinc/40/99/04/282409904.db2.gz RRCQUSJMRFEMDC-AWEZNQCLSA-N 0 0 317.780 2.396 10 30 DEEERN CN(C)c1nnc(SCc2ccccc2C#CCO)s1 ZINC000111316556 185581001 /nfs/dbraw/zinc/58/10/01/185581001.db2.gz NLRDAWLESOPBEC-UHFFFAOYSA-N 0 0 305.428 2.240 10 30 DEEERN CC[C@H]1CN(S(=O)(=O)c2cccc(C)c2C#N)C[C@@H](C)O1 ZINC000246339369 282436976 /nfs/dbraw/zinc/43/69/76/282436976.db2.gz UIZPNGUJNCAPPG-OLZOCXBDSA-N 0 0 308.403 2.055 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(Nc2ccn(C)n2)cc1 ZINC000615850421 362716399 /nfs/dbraw/zinc/71/63/99/362716399.db2.gz YKHKFEXWJRKBRX-CABCVRRESA-N 0 0 312.373 2.237 10 30 DEEERN CC(C)N[C@](C#N)(CSc1nnc(N(C)C)s1)C1CC1 ZINC000069095045 190797922 /nfs/dbraw/zinc/79/79/22/190797922.db2.gz ZXLHSUMSRUPKCG-CYBMUJFWSA-N 0 0 311.480 2.367 10 30 DEEERN CC(C)N[C@](C#N)(CSc1nnc2ccccn21)C1CC1 ZINC000069093836 190798635 /nfs/dbraw/zinc/79/86/35/190798635.db2.gz YMFAPBWBQKUTIM-OAHLLOKOSA-N 0 0 301.419 2.492 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)c1nnn(C(C)(C)C)n1 ZINC000616300831 362821450 /nfs/dbraw/zinc/82/14/50/362821450.db2.gz DTQFLGXXRYMQOF-AWEZNQCLSA-N 0 0 313.405 2.345 10 30 DEEERN N#Cc1cccc(NC(=O)Nc2cnn(-c3ncccn3)c2)c1 ZINC000121432245 185798810 /nfs/dbraw/zinc/79/88/10/185798810.db2.gz VGRVJZCIDMORIS-UHFFFAOYSA-N 0 0 305.301 2.178 10 30 DEEERN C=CCCNS(=O)(=O)c1cc(N)c(Br)cc1C ZINC000126835386 185896962 /nfs/dbraw/zinc/89/69/62/185896962.db2.gz UGVMCQNNTBSNAE-UHFFFAOYSA-N 0 0 319.224 2.194 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)CN1CCOCC1=O ZINC000279819311 215174492 /nfs/dbraw/zinc/17/44/92/215174492.db2.gz ZQRZGPXAPQRRPW-UHFFFAOYSA-N 0 0 316.401 2.336 10 30 DEEERN N#Cc1cccc([C@H]2CCc3ccccc3N2S(N)(=O)=O)c1 ZINC000616594582 362895430 /nfs/dbraw/zinc/89/54/30/362895430.db2.gz NMPZMJWOAKOTTO-MRXNPFEDSA-N 0 0 313.382 2.256 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cccc(C)c1OC ZINC000616698170 362913392 /nfs/dbraw/zinc/91/33/92/362913392.db2.gz XOVFRZKQLIQGCY-OAHLLOKOSA-N 0 0 304.390 2.091 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000180324512 539645180 /nfs/dbraw/zinc/64/51/80/539645180.db2.gz NZPCNJHSUDZJKH-MRVPVSSYSA-N 0 0 301.799 2.064 10 30 DEEERN CCC1(CC)CC(=O)N(Cc2cc(C#CCO)cs2)C1=O ZINC000071323755 190957790 /nfs/dbraw/zinc/95/77/90/190957790.db2.gz UZAPPBUVCNDPKL-UHFFFAOYSA-N 0 0 305.399 2.157 10 30 DEEERN COc1ccc(C(=O)NCc2ccc(C#CCO)s2)cc1 ZINC000071322292 190958262 /nfs/dbraw/zinc/95/82/62/190958262.db2.gz CMQAGRKPTJZGDP-UHFFFAOYSA-N 0 0 301.367 2.031 10 30 DEEERN CCOC(=O)CS(=O)(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N ZINC000084253171 192416390 /nfs/dbraw/zinc/41/63/90/192416390.db2.gz YPNYTFHHIKRRPU-JHJVBQTASA-N 0 0 315.435 2.319 10 30 DEEERN Cc1cc(C#CCO)cc(C(=O)N2CCS[C@@H](C)[C@H]2C)c1 ZINC000133659318 186003933 /nfs/dbraw/zinc/00/39/33/186003933.db2.gz WFKUZSOEPRYXEJ-KGLIPLIRSA-N 0 0 303.427 2.305 10 30 DEEERN C#CCC[C@@H](NN)c1cccc(I)c1 ZINC000133656208 186003942 /nfs/dbraw/zinc/00/39/42/186003942.db2.gz DZKGSYACRKFYEF-LLVKDONJSA-N 0 0 300.143 2.209 10 30 DEEERN C[C@@H]1CC[C@H](C)N(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000147441750 186040173 /nfs/dbraw/zinc/04/01/73/186040173.db2.gz ONVRSUOIHOGPNH-KGLIPLIRSA-N 0 0 306.431 2.452 10 30 DEEERN C[C@@H]1[C@@H](C)CCCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000147439652 186040264 /nfs/dbraw/zinc/04/02/64/186040264.db2.gz JZXRJCNJLCZXJT-UONOGXRCSA-N 0 0 306.431 2.452 10 30 DEEERN Cc1cccnc1C(=O)NCc1sccc1C#CCCO ZINC000148619232 186045056 /nfs/dbraw/zinc/04/50/56/186045056.db2.gz GNTDYXMQKJXNGM-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN O=C(NCc1sccc1C#CCO)c1ccc(Cl)cc1O ZINC000148553399 186044944 /nfs/dbraw/zinc/04/49/44/186044944.db2.gz GXIVDEUBIUQTFO-UHFFFAOYSA-N 0 0 321.785 2.381 10 30 DEEERN CC[C@H](C#N)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000171004797 197863993 /nfs/dbraw/zinc/86/39/93/197863993.db2.gz PAFSRGJRRTYTKV-OAHLLOKOSA-N 0 0 317.364 2.096 10 30 DEEERN COc1c2ccoc2nc2c1C(=O)C=C(OC)C2(OC)OC ZINC000014588127 290902153 /nfs/dbraw/zinc/90/21/53/290902153.db2.gz TWDSYHMOWLCCQR-UHFFFAOYSA-N 0 0 305.286 2.009 10 30 biogenic,in-vitro DEEERN COc1csc(C(=O)Nc2ccc(F)c(C#CCO)c2)c1 ZINC000164314852 186156177 /nfs/dbraw/zinc/15/61/77/186156177.db2.gz IKXCJINNBSHBFH-UHFFFAOYSA-N 0 0 305.330 2.492 10 30 DEEERN CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2cc(C#N)cn2C)C1 ZINC000183839986 186222649 /nfs/dbraw/zinc/22/26/49/186222649.db2.gz XDOXXICHGBGHAZ-CYBMUJFWSA-N 0 0 317.389 2.091 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CSc1nnnn1C1CC1 ZINC000617037233 363006856 /nfs/dbraw/zinc/00/68/56/363006856.db2.gz JVNUTCPVQIWIQF-WCQYABFASA-N 0 0 321.450 2.351 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CCCCCS(N)(=O)=O ZINC000617043592 363007838 /nfs/dbraw/zinc/00/78/38/363007838.db2.gz BXVNBDSHUWKUQO-KBPBESRZSA-N 0 0 316.467 2.086 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CCn1cccn1 ZINC000287522170 186587990 /nfs/dbraw/zinc/58/79/90/186587990.db2.gz VBEYBJQJXDZMQA-QGZVFWFLSA-N 0 0 310.401 2.159 10 30 DEEERN CN1C(=O)CC[C@H](C(=O)NCCCCC#N)[C@H]1c1ccccc1 ZINC000171996846 198022385 /nfs/dbraw/zinc/02/23/85/198022385.db2.gz CRFCZIHRZQPYEG-DOTOQJQBSA-N 0 0 313.401 2.406 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCSCC(=O)OC ZINC000595494831 358464576 /nfs/dbraw/zinc/46/45/76/358464576.db2.gz QHYHOJHSWACXRK-OLZOCXBDSA-N 0 0 314.451 2.327 10 30 DEEERN C=CCSCCNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000172570464 198117359 /nfs/dbraw/zinc/11/73/59/198117359.db2.gz WEUPGVFZTITOEM-UHFFFAOYSA-N 0 0 308.451 2.228 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@H](CO)[C@H]1CCC[C@@H](OC)C1)OCC ZINC000617535966 363171893 /nfs/dbraw/zinc/17/18/93/363171893.db2.gz ZJKPNQZFBOTBFV-JJXSEGSLSA-N 0 0 313.438 2.040 10 30 DEEERN C[C@H](NC(=O)N[C@@H]1CCCNC1=O)c1ccc2c(c1)OCO2 ZINC000328673033 539909192 /nfs/dbraw/zinc/90/91/92/539909192.db2.gz IRCOSMHMUOZYQU-GXSJLCMTSA-N 0 0 305.334 2.099 10 30 DEEERN Cc1ccc2nc(CNC(=O)N3CC4(C3)CCCOC4)cn2c1 ZINC000329254648 539916165 /nfs/dbraw/zinc/91/61/65/539916165.db2.gz WZPJPGUCFJUQMY-UHFFFAOYSA-N 0 0 314.389 2.169 10 30 DEEERN Cc1csc(C2(NC(=O)CN3CSCC3=O)CCC2)n1 ZINC000329307486 539917833 /nfs/dbraw/zinc/91/78/33/539917833.db2.gz PPUJWDHIVUKEDJ-UHFFFAOYSA-N 0 0 311.432 2.320 10 30 DEEERN Cc1cn2cc(NC(=O)N3CC4(C3)CCCOC4)ccc2n1 ZINC000329579634 539923804 /nfs/dbraw/zinc/92/38/04/539923804.db2.gz UIYMYTWESIJICZ-UHFFFAOYSA-N 0 0 300.362 2.301 10 30 DEEERN N#C[C@H]1CCC[C@H]1NC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000332703766 539938993 /nfs/dbraw/zinc/93/89/93/539938993.db2.gz FIHKFQYPPCEXNH-LVQVYYBASA-N 0 0 314.389 2.293 10 30 DEEERN C=CCOCCCC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000173520943 198223411 /nfs/dbraw/zinc/22/34/11/198223411.db2.gz WAKYROORSNAWCE-INIZCTEOSA-N 0 0 320.437 2.116 10 30 DEEERN C[C@@H]1CCN2C(=O)N(Cc3ccc(C#N)cc3F)C(=O)[C@@H]2C1 ZINC000617675168 363220608 /nfs/dbraw/zinc/22/06/08/363220608.db2.gz RKPPTFGCAOZULS-YGRLFVJLSA-N 0 0 301.321 2.260 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NCc3ccccc3)cc2C1=O ZINC000005557760 353994673 /nfs/dbraw/zinc/99/46/73/353994673.db2.gz SZINYPMFQMZKDJ-UHFFFAOYSA-N 0 0 320.348 2.399 10 30 DEEERN C=CCSc1nnc(-c2ccc(NS(C)(=O)=O)cc2)n1C ZINC000004113220 181074731 /nfs/dbraw/zinc/07/47/31/181074731.db2.gz CZZFSTGUUJJIAA-UHFFFAOYSA-N 0 0 324.431 2.132 10 30 DEEERN CO/N=C/c1ccc(C(=O)NCCCCCC(=O)OC)cc1 ZINC000041300544 354171617 /nfs/dbraw/zinc/17/16/17/354171617.db2.gz CPNORNIEFHHYQK-LDADJPATSA-N 0 0 306.362 2.130 10 30 DEEERN O=C(NCC#Cc1ccccc1)NC[C@@H]1COc2ccccc2O1 ZINC000045610853 354259523 /nfs/dbraw/zinc/25/95/23/354259523.db2.gz LIOHSIXOSRYSFB-MRXNPFEDSA-N 0 0 322.364 2.177 10 30 DEEERN CCOCCCCNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000048672273 354354946 /nfs/dbraw/zinc/35/49/46/354354946.db2.gz LWRNCEVSKICUPV-UHFFFAOYSA-N 0 0 316.810 2.307 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1ccc(O[C@H]2CC2(F)F)cc1 ZINC000626362035 366161948 /nfs/dbraw/zinc/16/19/48/366161948.db2.gz YYIHJCIXMMLQRO-FZMZJTMJSA-N 0 0 311.328 2.387 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCCS(=O)(=O)c2ccccc2)C1 ZINC000626326858 366150249 /nfs/dbraw/zinc/15/02/49/366150249.db2.gz NRFXBWFSFLIZBT-CQSZACIVSA-N 0 0 322.430 2.068 10 30 DEEERN C=CC(C)(C)CCNC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000626375539 366165405 /nfs/dbraw/zinc/16/54/05/366165405.db2.gz BPQDIXWCGFJKKN-UHFFFAOYSA-N 0 0 311.407 2.058 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2cccc(C(N)=O)c2OC)C1 ZINC000626489893 366205485 /nfs/dbraw/zinc/20/54/85/366205485.db2.gz CPNXHDFEZIAESD-NSHDSACASA-N 0 0 303.362 2.224 10 30 DEEERN Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1C(N)=O ZINC000066441398 354715353 /nfs/dbraw/zinc/71/53/53/354715353.db2.gz JRMMDVCIICVYNC-GFCCVEGCSA-N 0 0 323.352 2.372 10 30 DEEERN N#Cc1cccnc1N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000073108093 354942667 /nfs/dbraw/zinc/94/26/67/354942667.db2.gz QRYYGNPUWZKPGZ-UHFFFAOYSA-N 0 0 323.356 2.184 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)C[C@H]1c1ccccc1 ZINC000329239398 283060173 /nfs/dbraw/zinc/06/01/73/283060173.db2.gz QGCCMCVMXTXKRS-BBWFWOEESA-N 0 0 320.396 2.211 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)C1=O ZINC000355672631 540083466 /nfs/dbraw/zinc/08/34/66/540083466.db2.gz YGBXUPGADSUTGQ-TUAOUCFPSA-N 0 0 318.339 2.210 10 30 DEEERN C=CCCCN(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000076488434 355151674 /nfs/dbraw/zinc/15/16/74/355151674.db2.gz UHGSLXRGFDEGJB-UHFFFAOYSA-N 0 0 319.361 2.139 10 30 DEEERN C=CCCCN(C)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000081786554 355449655 /nfs/dbraw/zinc/44/96/55/355449655.db2.gz JRZCXWYEGULFBU-UHFFFAOYSA-N 0 0 319.796 2.418 10 30 DEEERN Cc1ccc(-c2nc(C(=O)N[C@H](C#N)C3CC3)cs2)n1C ZINC000132559595 355852242 /nfs/dbraw/zinc/85/22/42/355852242.db2.gz LYSQTROQWBEOEM-LLVKDONJSA-N 0 0 300.387 2.489 10 30 DEEERN COc1ccc(CNc2ccc([N+](=O)[O-])c(C#N)n2)c(OC)c1 ZINC000143009906 355896514 /nfs/dbraw/zinc/89/65/14/355896514.db2.gz PQIHISABORXZKG-UHFFFAOYSA-N 0 0 314.301 2.491 10 30 DEEERN Cc1cc(C)n([C@@H](C)C(=O)NCc2ccc(C#N)cc2F)n1 ZINC000170931315 355995250 /nfs/dbraw/zinc/99/52/50/355995250.db2.gz PUWJMNUCSJFYCL-LBPRGKRZSA-N 0 0 300.337 2.388 10 30 DEEERN C=CCCOCCNC(=O)NCCOc1ccc(F)cc1F ZINC000179353086 356021537 /nfs/dbraw/zinc/02/15/37/356021537.db2.gz HRHMKBFCERFSBA-UHFFFAOYSA-N 0 0 314.332 2.236 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000181101326 356072734 /nfs/dbraw/zinc/07/27/34/356072734.db2.gz KAFIJHNGTWBXFS-CABCVRRESA-N 0 0 306.410 2.038 10 30 DEEERN C=CCNC(=O)CNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000181691964 356090880 /nfs/dbraw/zinc/09/08/80/356090880.db2.gz APFVMHREBZTJTF-UHFFFAOYSA-N 0 0 302.305 2.118 10 30 DEEERN CCCN(CC(=O)OCC)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000080144914 192005047 /nfs/dbraw/zinc/00/50/47/192005047.db2.gz MCBIVGNKJRPQTH-ZDUSSCGKSA-N 0 0 318.373 2.127 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1cccc(NC(=O)CCC)c1 ZINC000183075068 356159105 /nfs/dbraw/zinc/15/91/05/356159105.db2.gz MMCQODDVDJFAKD-OAHLLOKOSA-N 0 0 319.405 2.161 10 30 DEEERN CC(C)N(CC#N)S(=O)(=O)c1ccc(Br)s1 ZINC000080214664 192012149 /nfs/dbraw/zinc/01/21/49/192012149.db2.gz OFEZVXJYYXXLDV-UHFFFAOYSA-N 0 0 323.237 2.433 10 30 DEEERN CC(C)N(CC#N)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000080214393 192012883 /nfs/dbraw/zinc/01/28/83/192012883.db2.gz OGKYQFQFULIGFF-UHFFFAOYSA-N 0 0 317.754 2.171 10 30 DEEERN CCOc1ccc(C#N)cc1NC(=O)c1ccc2nnn(C)c2c1 ZINC000183229588 356163182 /nfs/dbraw/zinc/16/31/82/356163182.db2.gz MVDQSLZFEIBRCM-UHFFFAOYSA-N 0 0 321.340 2.491 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCOCc1ccc(Cl)cc1 ZINC000183790146 356180071 /nfs/dbraw/zinc/18/00/71/356180071.db2.gz PQERDTRENUHCTI-CQSZACIVSA-N 0 0 312.797 2.093 10 30 DEEERN COc1ccccc1N1CCC(NC(=O)NC[C@@H](C)C#N)CC1 ZINC000182621531 356134919 /nfs/dbraw/zinc/13/49/19/356134919.db2.gz MMWJRXTVUKJCQZ-ZDUSSCGKSA-N 0 0 316.405 2.123 10 30 DEEERN COc1cccc(N2CCC[C@H](NC(=O)NC[C@H](C)C#N)C2)c1 ZINC000182669372 356138741 /nfs/dbraw/zinc/13/87/41/356138741.db2.gz YICYXLRWPJMPMI-KGLIPLIRSA-N 0 0 316.405 2.123 10 30 DEEERN CCc1ccc(CN2CCN(C(=O)NC[C@H](C)C#N)CC2)s1 ZINC000182777851 356145323 /nfs/dbraw/zinc/14/53/23/356145323.db2.gz PXDUKXRJSABLMF-CYBMUJFWSA-N 0 0 320.462 2.297 10 30 DEEERN Cc1cc([C@H]2CN(C(=O)NC[C@H](C)C#N)CCO2)ccc1F ZINC000182834344 356148551 /nfs/dbraw/zinc/14/85/51/356148551.db2.gz XQMVSMCMSIAJSS-IAQYHMDHSA-N 0 0 305.353 2.377 10 30 DEEERN N#Cc1ccc(C2(C(=O)NCc3nc4cccnc4[nH]3)CC2)cc1 ZINC000194221573 356236360 /nfs/dbraw/zinc/23/63/60/356236360.db2.gz LZBQCXNXBRMAHH-UHFFFAOYSA-N 0 0 317.352 2.178 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(C(=O)NC(C)C)cc1C ZINC000184539296 356192987 /nfs/dbraw/zinc/19/29/87/356192987.db2.gz GWBIZTAWBIBBPG-AWEZNQCLSA-N 0 0 319.405 2.192 10 30 DEEERN Cc1c(I)cccc1NC(=O)CS ZINC000300986254 356391305 /nfs/dbraw/zinc/39/13/05/356391305.db2.gz TWHCKTCIWGQNQM-UHFFFAOYSA-N 0 0 307.156 2.468 10 30 DEEERN C=C(Br)Cn1ccnc1I ZINC000306247123 356403658 /nfs/dbraw/zinc/40/36/58/356403658.db2.gz XFONHIGTKAGNLX-UHFFFAOYSA-N 0 0 312.936 2.396 10 30 DEEERN CC(=O)N[C@]1(c2noc(C)n2)CCN(c2ccc(C#N)cc2)C1 ZINC000328610728 356459942 /nfs/dbraw/zinc/45/99/42/356459942.db2.gz IZGRGWPKUZFYBR-MRXNPFEDSA-N 0 0 311.345 2.332 10 30 DEEERN Cc1cnc(CCNC(=O)c2c[nH]nc2[C@@H]2CCOC2)s1 ZINC000328634829 356464820 /nfs/dbraw/zinc/46/48/20/356464820.db2.gz UGZGPIQXCBTYHU-SNVBAGLBSA-N 0 0 306.391 2.226 10 30 DEEERN CN(C[C@H]1CCn2ccnc2C1)C(=O)C1(C#N)CCCCC1 ZINC000328620331 356461646 /nfs/dbraw/zinc/46/16/46/356461646.db2.gz GXPCUXUVRZGJNH-AWEZNQCLSA-N 0 0 300.406 2.378 10 30 DEEERN CN(C[C@@H]1CCc2nccn2C1)C([O-])=[NH+]c1ccc(F)cn1 ZINC000328628314 356463662 /nfs/dbraw/zinc/46/36/62/356463662.db2.gz NOIAWIFJAFSQHI-NSHDSACASA-N 0 0 303.341 2.157 10 30 DEEERN C=CCNC(=O)Cc1noc([C@@H]2C[C@H]2c2cccc(OC)c2)n1 ZINC000350694814 356558805 /nfs/dbraw/zinc/55/88/05/356558805.db2.gz NJHGRZZDVNNOSA-UONOGXRCSA-N 0 0 313.357 2.194 10 30 DEEERN C=CCOCCCNC(=O)c1ccc2c(c1)[nH]c(=O)n2CC ZINC000618514974 363512827 /nfs/dbraw/zinc/51/28/27/363512827.db2.gz QLYGYJVRIUGHHC-UHFFFAOYSA-N 0 0 303.362 2.084 10 30 DEEERN C=CCOCCCNC(=O)c1cnc2c(cnn2C(C)C)c1 ZINC000618514849 363512847 /nfs/dbraw/zinc/51/28/47/363512847.db2.gz PVQKQNSDRWMEFK-UHFFFAOYSA-N 0 0 302.378 2.335 10 30 DEEERN C=CCOCCCNC(=O)Cc1ccccc1O[C@@H]1CCOC1 ZINC000618516587 363513861 /nfs/dbraw/zinc/51/38/61/363513861.db2.gz QCTVUVJUTFDAFA-MRXNPFEDSA-N 0 0 319.401 2.106 10 30 DEEERN C=CCOCCCNC(=O)[C@@H](C)NC(=O)CC1CCCCC1 ZINC000618522393 363514559 /nfs/dbraw/zinc/51/45/59/363514559.db2.gz FUCFGCPGMMDVDE-CQSZACIVSA-N 0 0 310.438 2.170 10 30 DEEERN C=CCOCCCNC(=O)c1cn(-c2ccccc2Cl)nn1 ZINC000618522874 363515743 /nfs/dbraw/zinc/51/57/43/363515743.db2.gz XCKQBLBUBJIANC-UHFFFAOYSA-N 0 0 320.780 2.243 10 30 DEEERN C=CCOCCCNC(=O)C1CCC(NC(=O)C(C)(C)C)CC1 ZINC000618524473 363516006 /nfs/dbraw/zinc/51/60/06/363516006.db2.gz FYEVDAGOZGJMOL-UHFFFAOYSA-N 0 0 324.465 2.416 10 30 DEEERN C=CCOCCCNC(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC000618525332 363516306 /nfs/dbraw/zinc/51/63/06/363516306.db2.gz ADTJLWBEBMJLEQ-UHFFFAOYSA-N 0 0 321.327 2.473 10 30 DEEERN C=CCOCCCNC(=O)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000618526266 363516778 /nfs/dbraw/zinc/51/67/78/363516778.db2.gz QVPOVUWJHQTFNP-INIZCTEOSA-N 0 0 316.401 2.139 10 30 DEEERN Cc1ncc(S(=O)(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)cc1C#N ZINC000387001827 356700804 /nfs/dbraw/zinc/70/08/04/356700804.db2.gz WYOSNFNTELIWOH-NTZNESFSSA-N 0 0 307.419 2.317 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000579112429 356923453 /nfs/dbraw/zinc/92/34/53/356923453.db2.gz GYHOPRJJKHAASG-IRXDYDNUSA-N 0 0 311.385 2.252 10 30 DEEERN C=CCCn1cc(C(=O)N[C@@H]2CCOc3c(C)cccc32)nn1 ZINC000579229221 356942249 /nfs/dbraw/zinc/94/22/49/356942249.db2.gz KIGVKZQKTOCJCN-CQSZACIVSA-N 0 0 312.373 2.416 10 30 DEEERN C=C(C)CS(=O)(=O)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000579832352 357039120 /nfs/dbraw/zinc/03/91/20/357039120.db2.gz YGRDDUQNVIVOFP-CHWSQXEVSA-N 0 0 317.451 2.192 10 30 DEEERN C=CCCS(=O)(=O)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000584718532 357297653 /nfs/dbraw/zinc/29/76/53/357297653.db2.gz VBHCTPQQAMXHOC-CHWSQXEVSA-N 0 0 317.451 2.192 10 30 DEEERN N#Cc1nc(N2CCC[C@]3(CNC(=O)C3)C2)ccc1C(F)(F)F ZINC000407957481 283249370 /nfs/dbraw/zinc/24/93/70/283249370.db2.gz LZRFVEPYFBZVRE-AWEZNQCLSA-N 0 0 324.306 2.079 10 30 DEEERN CC[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586863297 357378036 /nfs/dbraw/zinc/37/80/36/357378036.db2.gz KEMFVUCDBIOMSP-CQSZACIVSA-N 0 0 317.364 2.105 10 30 DEEERN Cc1c(S(=O)(=O)N2CC[C@@](F)(C#N)C2)c2ccccc2n1C ZINC000585739115 357349687 /nfs/dbraw/zinc/34/96/87/357349687.db2.gz FKSCSYNGXDSCNB-OAHLLOKOSA-N 0 0 321.377 2.113 10 30 DEEERN CC[C@H]1CCC[C@H]1NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586862541 357377672 /nfs/dbraw/zinc/37/76/72/357377672.db2.gz ZTNIWFIXSNPKKR-SWLSCSKDSA-N 0 0 317.364 2.008 10 30 DEEERN COC(=O)C(C)(C)[C@H]1CCCN(c2nc(C)cc(C#N)n2)C1 ZINC000588011671 357387891 /nfs/dbraw/zinc/38/78/91/357387891.db2.gz FYMZIQOVTYPAEJ-LBPRGKRZSA-N 0 0 302.378 2.072 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N(C[C@H]2CCCO2)C2CCCC2)o1 ZINC000588116678 357395723 /nfs/dbraw/zinc/39/57/23/357395723.db2.gz PGUWQTTXGQEOQP-CQSZACIVSA-N 0 0 324.402 2.264 10 30 DEEERN Cc1cc(C#N)cc(N2CCC(C(=O)N(C)C(C)C)CC2)n1 ZINC000587201778 357381286 /nfs/dbraw/zinc/38/12/86/357381286.db2.gz VKHDDLRXTSTODM-UHFFFAOYSA-N 0 0 300.406 2.345 10 30 DEEERN Cc1ccc2ncc(C#N)c(N[C@@H]3CC(=O)N([C@@H]4C[C@H]4C)C3)c2c1 ZINC000589863877 357502276 /nfs/dbraw/zinc/50/22/76/357502276.db2.gz JTQLKWDKJZBQRN-SUYBPPKGSA-N 0 0 320.396 2.258 10 30 DEEERN Cc1cc(CN2CCN(C(=O)c3ccc(C#N)cc3C)CC2)no1 ZINC000178555417 198887022 /nfs/dbraw/zinc/88/70/22/198887022.db2.gz YVDYRDWIXRUZAS-UHFFFAOYSA-N 0 0 324.384 2.121 10 30 DEEERN C=CCn1c([C@H]2CCCS2)nnc1N1CC[C@@](F)(C#N)C1 ZINC000591620357 357745235 /nfs/dbraw/zinc/74/52/35/357745235.db2.gz IJGPIAIHWARLAR-BXUZGUMPSA-N 0 0 307.398 2.474 10 30 DEEERN C=CCSCCNC(=O)NC[C@]1(CO)CCc2ccccc21 ZINC000593331071 358055989 /nfs/dbraw/zinc/05/59/89/358055989.db2.gz TVMVPASGNRCQAK-KRWDZBQOSA-N 0 0 320.458 2.081 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593416030 358072917 /nfs/dbraw/zinc/07/29/17/358072917.db2.gz UIWUINZWAHSYPZ-YDGQEPMXSA-N 0 0 318.442 2.089 10 30 DEEERN C=CCCn1cc(CSCC(=O)Nc2nc(C)cs2)nn1 ZINC000594452208 358275841 /nfs/dbraw/zinc/27/58/41/358275841.db2.gz LBAFVSBEDUEGLF-UHFFFAOYSA-N 0 0 323.447 2.491 10 30 DEEERN C=CCCn1cc(COc2ccc([N+](=O)[O-])c(OC)c2)nn1 ZINC000594449141 358275025 /nfs/dbraw/zinc/27/50/25/358275025.db2.gz SMEJKCXXUHCXGV-UHFFFAOYSA-N 0 0 304.306 2.350 10 30 DEEERN C=CCCn1cc(CS[C@H]2CCN(C(C)(C)C)C2=O)nn1 ZINC000594565394 358295103 /nfs/dbraw/zinc/29/51/03/358295103.db2.gz HJKFHCSKWLKRQT-ZDUSSCGKSA-N 0 0 308.451 2.487 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C ZINC000627060174 366425717 /nfs/dbraw/zinc/42/57/17/366425717.db2.gz RWGLJIOJHUGZFU-AAEUAGOBSA-N 0 0 317.389 2.215 10 30 DEEERN C=CCCSCCNC(=O)N1CCNC[C@H]1c1cccnc1 ZINC000595272000 358409812 /nfs/dbraw/zinc/40/98/12/358409812.db2.gz SBBIRSLIBRIUJH-HNNXBMFYSA-N 0 0 320.462 2.047 10 30 DEEERN C=CCCSCCNC(=O)C(=O)N1CCC[C@H](CCF)C1 ZINC000595200640 358400349 /nfs/dbraw/zinc/40/03/49/358400349.db2.gz JOLOYVQOYIFRDH-CYBMUJFWSA-N 0 0 316.442 2.010 10 30 DEEERN C=CC[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596198901 358637210 /nfs/dbraw/zinc/63/72/10/358637210.db2.gz NMAZICHNLOMWKT-QMMMGPOBSA-N 0 0 314.725 2.384 10 30 DEEERN C=CCNC(=O)CNC(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000181215043 199266640 /nfs/dbraw/zinc/26/66/40/199266640.db2.gz XGFSDNVCHSHCQR-MLGOLLRUSA-N 0 0 319.380 2.220 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@](C)(C#N)C2)cc1 ZINC000596695921 358741989 /nfs/dbraw/zinc/74/19/89/358741989.db2.gz VWVCFBKTMXUYOR-KRWDZBQOSA-N 0 0 312.373 2.370 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000596840852 358772563 /nfs/dbraw/zinc/77/25/63/358772563.db2.gz DLOAVKBWHXESCJ-IAQYHMDHSA-N 0 0 319.361 2.243 10 30 DEEERN C=CCSCCNC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC000596974096 358797800 /nfs/dbraw/zinc/79/78/00/358797800.db2.gz SIFHTPRHOOVWPO-HUUCEWRRSA-N 0 0 307.415 2.179 10 30 DEEERN C=CCOC[C@@H](N[C@@H](C)c1cc2cnccc2o1)C(=O)OC ZINC000597116857 358828123 /nfs/dbraw/zinc/82/81/23/358828123.db2.gz KAZBJVKSHABEAX-WCQYABFASA-N 0 0 304.346 2.223 10 30 DEEERN C=CCn1c(Cc2ccccc2O)nnc1N(C)C[C@@H](C)C#N ZINC000597283636 358878837 /nfs/dbraw/zinc/87/88/37/358878837.db2.gz ZSLWRKNAYZNNKK-ZDUSSCGKSA-N 0 0 311.389 2.356 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000597609939 358962091 /nfs/dbraw/zinc/96/20/91/358962091.db2.gz KHDGULKOQOQJTC-ZNMIVQPWSA-N 0 0 323.433 2.452 10 30 DEEERN C=CCCCCNC(=O)C(=O)Nc1cncc(OCCC)c1 ZINC000627489804 366533366 /nfs/dbraw/zinc/53/33/66/366533366.db2.gz MALPDGVEIBNHJC-UHFFFAOYSA-N 0 0 305.378 2.281 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC000185765825 199885254 /nfs/dbraw/zinc/88/52/54/199885254.db2.gz NNCWWXQRGLEDLC-LBPRGKRZSA-N 0 0 310.781 2.191 10 30 DEEERN C=CCCSCCNC(=O)c1ccc(CNC(C)=O)s1 ZINC000597973239 359056311 /nfs/dbraw/zinc/05/63/11/359056311.db2.gz WNMMUHWFLBUBNL-UHFFFAOYSA-N 0 0 312.460 2.423 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@@](C)(CCF)C(=O)OC)cc1 ZINC000598292151 359153199 /nfs/dbraw/zinc/15/31/99/359153199.db2.gz YTEXJMOQQYVUGW-KRWDZBQOSA-N 0 0 323.364 2.201 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2CCC[C@H]([S@@](C)=O)C2)CCOCC1 ZINC000598747948 359313428 /nfs/dbraw/zinc/31/34/28/359313428.db2.gz DDGAPQMCVOSERX-HKZYLEAXSA-N 0 0 313.463 2.165 10 30 DEEERN C=CCSCCNC(=O)c1cc(C)n(C2CCOCC2)n1 ZINC000599202083 359431618 /nfs/dbraw/zinc/43/16/18/359431618.db2.gz PKCFLUZWKMPJLE-UHFFFAOYSA-N 0 0 309.435 2.192 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)c(C)c2)C1 ZINC000599374412 359481679 /nfs/dbraw/zinc/48/16/79/359481679.db2.gz IJPIKGYZNUBNON-CYBMUJFWSA-N 0 0 323.414 2.368 10 30 DEEERN C=CCCCS(=O)(=O)N[C@@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000599410563 359491309 /nfs/dbraw/zinc/49/13/09/359491309.db2.gz BOKONJGVZJWSPW-HNNXBMFYSA-N 0 0 317.451 2.384 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000600004720 359633098 /nfs/dbraw/zinc/63/30/98/359633098.db2.gz SHCSRMXYLOSSQK-LBPRGKRZSA-N 0 0 317.345 2.266 10 30 DEEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1cncc(OCCC)c1 ZINC000627554311 366548186 /nfs/dbraw/zinc/54/81/86/366548186.db2.gz HWVRYMDTAUFYRN-LBPRGKRZSA-N 0 0 305.378 2.280 10 30 DEEERN C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(COC)c(OC)c1 ZINC000627595108 366560094 /nfs/dbraw/zinc/56/00/94/366560094.db2.gz URDAJTQMLFXZMU-UHFFFAOYSA-N 0 0 320.389 2.109 10 30 DEEERN C=CCC1(CNC(=O)c2cn(C[C@H]3CCOC3)nn2)CCCC1 ZINC000627661982 366584087 /nfs/dbraw/zinc/58/40/87/366584087.db2.gz YXUGZOIAGXEHSD-CQSZACIVSA-N 0 0 318.421 2.181 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(OC)c(F)c1 ZINC000627688754 366592713 /nfs/dbraw/zinc/59/27/13/366592713.db2.gz VVUNQLJFJQYMQN-UHFFFAOYSA-N 0 0 308.353 2.491 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000627688008 366592715 /nfs/dbraw/zinc/59/27/15/366592715.db2.gz KGQZPMMOEIUTOI-UHFFFAOYSA-N 0 0 315.417 2.289 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCCCC(=O)OC(C)(C)C)C1=O ZINC000601069040 359911654 /nfs/dbraw/zinc/91/16/54/359911654.db2.gz QXXFRFPYBRGHGQ-GFCCVEGCSA-N 0 0 310.394 2.385 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCc2ccccc2[N+](=O)[O-])C1=O ZINC000601070052 359911837 /nfs/dbraw/zinc/91/18/37/359911837.db2.gz YCNHNQZIIJPVAI-GFCCVEGCSA-N 0 0 303.318 2.024 10 30 DEEERN C=CCCn1cc(CS[C@@H]2CCN(C3CCC3)C2=O)nn1 ZINC000601057395 359907309 /nfs/dbraw/zinc/90/73/09/359907309.db2.gz UINPLYWEXDKJEP-CQSZACIVSA-N 0 0 306.435 2.241 10 30 DEEERN C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CCC1=O ZINC000188619831 200276052 /nfs/dbraw/zinc/27/60/52/200276052.db2.gz DYPLIIXAOZQGRC-LBPRGKRZSA-N 0 0 300.358 2.153 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 ZINC000627733059 366603423 /nfs/dbraw/zinc/60/34/23/366603423.db2.gz KDLZHKZXCSJOGM-GFCCVEGCSA-N 0 0 304.394 2.001 10 30 DEEERN C=CCCSCCNc1c(F)cccc1S(N)(=O)=O ZINC000601193402 359959327 /nfs/dbraw/zinc/95/93/27/359959327.db2.gz HWLFQHWKUZCDPU-UHFFFAOYSA-N 0 0 304.412 2.194 10 30 DEEERN C=CCSCCNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601321790 360007602 /nfs/dbraw/zinc/00/76/02/360007602.db2.gz SHZLVZVWNUYRMJ-UHFFFAOYSA-N 0 0 322.433 2.162 10 30 DEEERN C=C1CC(C)(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000601540961 360066861 /nfs/dbraw/zinc/06/68/61/360066861.db2.gz UZTGYTUESMJOTF-UHFFFAOYSA-N 0 0 304.350 2.311 10 30 DEEERN C=C1CC(C)(C(=O)Nc2nc(COC)c(C(=O)OC)s2)C1 ZINC000601572661 360076690 /nfs/dbraw/zinc/07/66/90/360076690.db2.gz ZWZRICNVQDQYOR-UHFFFAOYSA-N 0 0 310.375 2.371 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cc1cc(C)ccc1OC)C(=O)OC ZINC000601771548 360140392 /nfs/dbraw/zinc/14/03/92/360140392.db2.gz IEOWYAGIJQZOPY-AWEZNQCLSA-N 0 0 305.374 2.170 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H]1CCN(c2ccccc2)C1)C(=O)OC ZINC000601782837 360146778 /nfs/dbraw/zinc/14/67/78/360146778.db2.gz RFCDYMLQZXSTSM-HOCLYGCPSA-N 0 0 316.401 2.137 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1[nH]c2ccccc2c1OC)C(=O)OC ZINC000601782950 360146867 /nfs/dbraw/zinc/14/68/67/360146867.db2.gz SHLZREPEKADBJE-CYBMUJFWSA-N 0 0 316.357 2.414 10 30 DEEERN C=C(C)C[C@@H](NC(=O)C[C@H](C)n1ccnc1CC)C(=O)OC ZINC000601785035 360148697 /nfs/dbraw/zinc/14/86/97/360148697.db2.gz OVEWXNGBWPRJQX-QWHCGFSZSA-N 0 0 307.394 2.021 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H](OC)c1ccc(F)cc1)C(=O)OC ZINC000601784914 360148809 /nfs/dbraw/zinc/14/88/09/360148809.db2.gz OEMAMYXYADZHRH-UONOGXRCSA-N 0 0 309.337 2.137 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1COc2cc(C)c(C)cc21)C(=O)OC ZINC000601785533 360148953 /nfs/dbraw/zinc/14/89/53/360148953.db2.gz BYWPZAAKDAJVBC-CABCVRRESA-N 0 0 317.385 2.403 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(SC)ccc1O)C(=O)OC ZINC000601786513 360149554 /nfs/dbraw/zinc/14/95/54/360149554.db2.gz XYZLJQOIDHTIKF-LBPRGKRZSA-N 0 0 309.387 2.352 10 30 DEEERN C=C(C)C[C@@H](NC(=O)C[C@H](C)c1c(C)n[nH]c1C)C(=O)OC ZINC000601788044 360150550 /nfs/dbraw/zinc/15/05/50/360150550.db2.gz OXJRMHOQZAAKCV-GXFFZTMASA-N 0 0 307.394 2.144 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)OC ZINC000601788352 360150614 /nfs/dbraw/zinc/15/06/14/360150614.db2.gz UGVFCJPPKVMQTL-OAHLLOKOSA-N 0 0 312.369 2.479 10 30 DEEERN C=CCSCCNC(=O)[C@@H]1CCN1Cc1ccc(OC)cc1 ZINC000602088506 360259864 /nfs/dbraw/zinc/25/98/64/360259864.db2.gz OZMLSQNJWAYVRA-INIZCTEOSA-N 0 0 320.458 2.305 10 30 DEEERN C=CCn1cc(C(=O)N(CCCSC)c2cccnc2)nn1 ZINC000602371053 360351969 /nfs/dbraw/zinc/35/19/69/360351969.db2.gz SWNWJQXNGCXEBD-UHFFFAOYSA-N 0 0 317.418 2.259 10 30 DEEERN COCCOCCCCNC(=O)NCC1CCC(C#N)CC1 ZINC000440994059 238001344 /nfs/dbraw/zinc/00/13/44/238001344.db2.gz XIDBWHFHASSEHH-UHFFFAOYSA-N 0 0 311.426 2.059 10 30 DEEERN CCn1cc([C@@H]2CN(Cc3ccc(C#N)cc3F)CCO2)cn1 ZINC000191708583 200749315 /nfs/dbraw/zinc/74/93/15/200749315.db2.gz FILMWKSOAAMUAY-KRWDZBQOSA-N 0 0 314.364 2.487 10 30 DEEERN C=C1CCN(C(=O)c2nnn(C3CC3)c2C(F)(F)F)CC1 ZINC000608586353 361234061 /nfs/dbraw/zinc/23/40/61/361234061.db2.gz QMGIXYUXEFFQOG-UHFFFAOYSA-N 0 0 300.284 2.424 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccn(C)n1 ZINC000608941228 361274773 /nfs/dbraw/zinc/27/47/73/361274773.db2.gz CWZOIBUPAFLICC-UHFFFAOYSA-N 0 0 300.318 2.157 10 30 DEEERN COC(=O)c1ccc(S(=O)(=O)N(CCC#N)C(C)C)c(C)c1 ZINC000609157897 361285900 /nfs/dbraw/zinc/28/59/00/361285900.db2.gz DPICXOMGXFSGNE-UHFFFAOYSA-N 0 0 324.402 2.094 10 30 DEEERN C=CCN(CCn1ccccc1=O)Cc1cccc([N+](=O)[O-])c1 ZINC000608788683 361265218 /nfs/dbraw/zinc/26/52/18/361265218.db2.gz LZTVHCGUEQRCNH-UHFFFAOYSA-N 0 0 313.357 2.445 10 30 DEEERN C=CC(C)(C)CCNC(=O)Cc1cccc(OCC(=O)NC)c1 ZINC000628314885 366806180 /nfs/dbraw/zinc/80/61/80/366806180.db2.gz QDTKVNJPCBUNFY-UHFFFAOYSA-N 0 0 318.417 2.072 10 30 DEEERN C=CC(C)(C)CCNC(=O)CCC(=O)Nc1nnc(C2CC2)o1 ZINC000628316990 366807483 /nfs/dbraw/zinc/80/74/83/366807483.db2.gz RTSWFLPQAFLYSA-UHFFFAOYSA-N 0 0 320.393 2.384 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@H](C)Sc1nnnn1C1CC1 ZINC000628316679 366807877 /nfs/dbraw/zinc/80/78/77/366807877.db2.gz FGYZVGYNVIEPCS-JTQLQIEISA-N 0 0 309.439 2.207 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000628317484 366807986 /nfs/dbraw/zinc/80/79/86/366807986.db2.gz MAROFJCIDOWORL-UWVGGRQHSA-N 0 0 306.328 2.162 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1cccnc1N1CCOCC1 ZINC000628317144 366808020 /nfs/dbraw/zinc/80/80/20/366808020.db2.gz XJPZOPITORFULS-UHFFFAOYSA-N 0 0 303.406 2.250 10 30 DEEERN N#Cc1ccc(CNC(=O)NCC2(CO)CCCCC2)c(F)c1 ZINC000610642813 361436326 /nfs/dbraw/zinc/43/63/26/361436326.db2.gz ODLVQSDNOSWYSJ-UHFFFAOYSA-N 0 0 319.380 2.439 10 30 DEEERN CCOc1cccc(CCNC(=O)Cc2cccc(C#N)c2)n1 ZINC000610760475 361461775 /nfs/dbraw/zinc/46/17/75/361461775.db2.gz MVXCNKYXFXERMQ-UHFFFAOYSA-N 0 0 309.369 2.253 10 30 DEEERN C=CCOCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000611545001 361627098 /nfs/dbraw/zinc/62/70/98/361627098.db2.gz KDUDSNPWZRHDHY-UHFFFAOYSA-N 0 0 319.361 2.127 10 30 DEEERN Cn1cc(CNc2c(C#N)cnc3c(F)ccc(Cl)c32)nn1 ZINC000611930485 361707038 /nfs/dbraw/zinc/70/70/38/361707038.db2.gz MVQWAYPGWHGVRQ-UHFFFAOYSA-N 0 0 316.727 2.061 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCO[C@@H](CC)C1 ZINC000611995493 361722136 /nfs/dbraw/zinc/72/21/36/361722136.db2.gz WRXKBZRSDLHULW-WCVJEAGWSA-N 0 0 322.449 2.311 10 30 DEEERN CO[C@@H]1CCCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000611951230 361711307 /nfs/dbraw/zinc/71/13/07/361711307.db2.gz PFJVKYZLQPADKA-CQSZACIVSA-N 0 0 305.353 2.408 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[C@H](C)O[C@@H]1C ZINC000611971209 361716019 /nfs/dbraw/zinc/71/60/19/361716019.db2.gz KKBJFFXAHROVDO-OTJKEOIZSA-N 0 0 322.449 2.167 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(C#N)cc1F ZINC000619562021 363826317 /nfs/dbraw/zinc/82/63/17/363826317.db2.gz SHHIPOQSZAYWBN-GDBMZVCRSA-N 0 0 317.364 2.478 10 30 DEEERN C=C[C@@H](NCc1cc(F)cc(Br)c1)C(=O)OC ZINC000619700618 363858467 /nfs/dbraw/zinc/85/84/67/363858467.db2.gz DSWJCFPIAPJQOC-LLVKDONJSA-N 0 0 302.143 2.405 10 30 DEEERN C=C[C@@H](C(=O)OC)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000619722848 363865929 /nfs/dbraw/zinc/86/59/29/363865929.db2.gz DMPYKSJMZQSDRY-HIFRSBDPSA-N 0 0 303.406 2.126 10 30 DEEERN Cc1cc(C(=O)NCC2CCC(C#N)CC2)ccc1-n1cnnn1 ZINC000619660282 363850181 /nfs/dbraw/zinc/85/01/81/363850181.db2.gz XVCDDXKCFCTDIR-UHFFFAOYSA-N 0 0 324.388 2.031 10 30 DEEERN C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000619969073 363922542 /nfs/dbraw/zinc/92/25/42/363922542.db2.gz UGZZWXWZISPVIR-BFYDXBDKSA-N 0 0 306.450 2.348 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NCC3=CCCC3)cc2C1=O ZINC000620001144 363930059 /nfs/dbraw/zinc/93/00/59/363930059.db2.gz MAHIQVGEDUDSPA-UHFFFAOYSA-N 0 0 310.353 2.309 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Sc1nnnn1C1CC1 ZINC000620312753 364014058 /nfs/dbraw/zinc/01/40/58/364014058.db2.gz KNPLEFMLQVRNPX-WCFLWFBJSA-N 0 0 319.434 2.198 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000620313968 364014289 /nfs/dbraw/zinc/01/42/89/364014289.db2.gz MEBAZUNKIFREBO-OQMKEHIESA-N 0 0 306.431 2.150 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCC3(COC3)C2)cc1OC ZINC000620298594 364012769 /nfs/dbraw/zinc/01/27/69/364012769.db2.gz MVTKFRCRSRTJCR-UHFFFAOYSA-N 0 0 303.358 2.123 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000621123862 364269213 /nfs/dbraw/zinc/26/92/13/364269213.db2.gz RTGMRDXNVKRQPD-NILFDRSVSA-N 0 0 305.365 2.486 10 30 DEEERN C=CC(C)(C)CNC(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621525631 364439000 /nfs/dbraw/zinc/43/90/00/364439000.db2.gz RXNYGCPQNUEPCT-AWEZNQCLSA-N 0 0 322.430 2.168 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CNC(=O)c2cc(C)cc(C)c2)C1 ZINC000628482696 366863036 /nfs/dbraw/zinc/86/30/36/366863036.db2.gz WGQUACHVQDGQQR-HNNXBMFYSA-N 0 0 300.402 2.458 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CNC(=O)Nc1ccccc1 ZINC000621716380 364522161 /nfs/dbraw/zinc/52/21/61/364522161.db2.gz HLJSVAAWSOYDCL-UHFFFAOYSA-N 0 0 315.295 2.385 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCC)cc2)C1 ZINC000628483403 366864245 /nfs/dbraw/zinc/86/42/45/366864245.db2.gz NPUNWGLBFGVEFE-CYBMUJFWSA-N 0 0 322.430 2.023 10 30 DEEERN C=CC[C@H]1CCN(C(=O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000628484050 366864251 /nfs/dbraw/zinc/86/42/51/366864251.db2.gz CRGFQAXNWQWDNL-ZDUSSCGKSA-N 0 0 314.385 2.375 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)C1 ZINC000628487241 366865341 /nfs/dbraw/zinc/86/53/41/366865341.db2.gz AOAKFRIYMAUISG-LLVKDONJSA-N 0 0 317.780 2.354 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)C1 ZINC000628492871 366866689 /nfs/dbraw/zinc/86/66/89/366866689.db2.gz DSFJYZNFONEMPV-CHWSQXEVSA-N 0 0 312.369 2.096 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCCNC(=O)c2ccccc2)C1 ZINC000623405752 365017149 /nfs/dbraw/zinc/01/71/49/365017149.db2.gz YMQYSGLJVLGLIW-CQSZACIVSA-N 0 0 301.390 2.024 10 30 DEEERN C=CCCOCCNC(=O)NC[C@@]1(C)COc2ccccc2O1 ZINC000623809609 365181217 /nfs/dbraw/zinc/18/12/17/365181217.db2.gz KPASAUSBAGVEAJ-KRWDZBQOSA-N 0 0 320.389 2.108 10 30 DEEERN C=CCCOCCNC(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000623809512 365181326 /nfs/dbraw/zinc/18/13/26/365181326.db2.gz GVJHIXAFGCLHAD-INIZCTEOSA-N 0 0 304.390 2.020 10 30 DEEERN CCC[C@H](C#N)N1CCN(C(=O)c2ccncc2Cl)CC1 ZINC000091449869 193057960 /nfs/dbraw/zinc/05/79/60/193057960.db2.gz ZYCAPULEIYVXCV-GFCCVEGCSA-N 0 0 306.797 2.185 10 30 DEEERN N#C[C@@H](CC(=O)NC1CC1)Nc1ccccc1Br ZINC000091320408 193041093 /nfs/dbraw/zinc/04/10/93/193041093.db2.gz PIWBEOHICQRCME-SNVBAGLBSA-N 0 0 308.179 2.422 10 30 DEEERN O=C(NCc1ccc(Cl)s1)c1ccncc1C#CCO ZINC000091460019 193059718 /nfs/dbraw/zinc/05/97/18/193059718.db2.gz YBVHGVINYLTYHB-UHFFFAOYSA-N 0 0 306.774 2.070 10 30 DEEERN N#C[C@@H]1CNCCN1CCOc1c(Cl)cccc1Cl ZINC000091748354 193100940 /nfs/dbraw/zinc/10/09/40/193100940.db2.gz LKOGBVQHRKZBBT-SNVBAGLBSA-N 0 0 300.189 2.170 10 30 DEEERN C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000624624805 365494137 /nfs/dbraw/zinc/49/41/37/365494137.db2.gz HHTQDACPUNANAD-SHTZXODSSA-N 0 0 301.390 2.038 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000449878117 241195366 /nfs/dbraw/zinc/19/53/66/241195366.db2.gz WHLJEKRYSBDNHY-ZWNOBZJWSA-N 0 0 301.296 2.461 10 30 DEEERN C[C@@H](CNC(=O)c1ccc(C#N)n1C)Oc1ccc(F)cc1 ZINC000449969790 241308214 /nfs/dbraw/zinc/30/82/14/241308214.db2.gz SPYWLDJYFSEXRP-NSHDSACASA-N 0 0 301.321 2.233 10 30 DEEERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C#N)n1C ZINC000450049800 241389384 /nfs/dbraw/zinc/38/93/84/241389384.db2.gz RCIXJUOAASBYCU-UHFFFAOYSA-N 0 0 310.357 2.002 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000450112291 241451710 /nfs/dbraw/zinc/45/17/10/241451710.db2.gz JQPVAQAMFABXIN-OAHLLOKOSA-N 0 0 313.357 2.311 10 30 DEEERN C=C[C@](C)(O)CC(=O)Nc1ccc2c(c1)[C@H](C)CC(=O)N2C ZINC000629515845 367231592 /nfs/dbraw/zinc/23/15/92/367231592.db2.gz VNLYFOLTQIENFO-DIFFPNOSSA-N 0 0 302.374 2.422 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(-c2ccccc2O)n[nH]1 ZINC000630008977 367435502 /nfs/dbraw/zinc/43/55/02/367435502.db2.gz HLFAGQXKJKXQLV-ZBEGNZNMSA-N 0 0 313.357 2.103 10 30 DEEERN CCN1C(=O)CCc2cc(NC(=O)c3ccc(C#N)n3C)ccc21 ZINC000450604863 242008308 /nfs/dbraw/zinc/00/83/08/242008308.db2.gz XYCPBHLLLRRBPI-UHFFFAOYSA-N 0 0 322.368 2.448 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2ncc(C3CCOCC3)s2)C1=O ZINC000630522340 367704028 /nfs/dbraw/zinc/70/40/28/367704028.db2.gz PKAPXCLESCNHGC-NSHDSACASA-N 0 0 321.402 2.428 10 30 DEEERN COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182663705 283992938 /nfs/dbraw/zinc/99/29/38/283992938.db2.gz KGFWTTPZAIDELS-HNNXBMFYSA-N 0 0 312.369 2.409 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CC(=O)Nc2cccc(CC)c2)C1=O ZINC000630980460 367948390 /nfs/dbraw/zinc/94/83/90/367948390.db2.gz AXDWUNQBTOSGQP-AWEZNQCLSA-N 0 0 315.373 2.074 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@@H](Cc2ccccc2)OC)C1=O ZINC000630986046 367951771 /nfs/dbraw/zinc/95/17/71/367951771.db2.gz YGIIYGWKDHICDF-HUUCEWRRSA-N 0 0 302.374 2.131 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H](COC)c2cccc(OC)c2)C1=O ZINC000630989279 367953030 /nfs/dbraw/zinc/95/30/30/367953030.db2.gz ZTQLAWRKQNJKJE-HUUCEWRRSA-N 0 0 318.373 2.269 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000631990480 368482615 /nfs/dbraw/zinc/48/26/15/368482615.db2.gz AIGPPQHOVMWWIX-UHFFFAOYSA-N 0 0 311.329 2.026 10 30 DEEERN Cc1nc2cc(N3CCO[C@@H](C#N)C3)c([N+](=O)[O-])cc2s1 ZINC000093933090 193329781 /nfs/dbraw/zinc/32/97/81/193329781.db2.gz OOZGMRZRKRVRMV-VIFPVBQESA-N 0 0 304.331 2.242 10 30 DEEERN OCC#Cc1ccccc1O[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000094408380 193367951 /nfs/dbraw/zinc/36/79/51/193367951.db2.gz GEBJWBPRGYDKMU-NVXWUHKLSA-N 0 0 304.411 2.464 10 30 DEEERN CCOC1CCN(C(=O)c2cc(C)c(C#CCO)s2)CC1 ZINC000094534183 193377131 /nfs/dbraw/zinc/37/71/31/193377131.db2.gz WFNFDJJNPJLXBQ-UHFFFAOYSA-N 0 0 307.415 2.041 10 30 DEEERN Cc1cc(C(=O)N(C)[C@@H]2CCSC2)sc1C#CCCO ZINC000094533785 193377270 /nfs/dbraw/zinc/37/72/70/193377270.db2.gz JKQPHNPOPSQAMV-GFCCVEGCSA-N 0 0 309.456 2.368 10 30 DEEERN Cc1cc(C(=O)NCc2ccncc2)sc1C#CCCO ZINC000094534018 193377421 /nfs/dbraw/zinc/37/74/21/193377421.db2.gz JJPZIJYWTAKFED-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN Cc1cc(C(=O)NCc2ccccc2F)sc1C#CCO ZINC000094533619 193377669 /nfs/dbraw/zinc/37/76/69/193377669.db2.gz LANVYNCTBAZCCO-UHFFFAOYSA-N 0 0 303.358 2.469 10 30 DEEERN CCC[C@@H](COC)NC(=O)c1cc(C)c(C#CCCO)s1 ZINC000094535602 193377724 /nfs/dbraw/zinc/37/77/24/193377724.db2.gz GOUJKAKNEUMJGL-ZDUSSCGKSA-N 0 0 309.431 2.335 10 30 DEEERN C[C@H](C#N)CN(C)C(=O)c1cccc(C(F)(F)F)c1NN ZINC000094599391 193383442 /nfs/dbraw/zinc/38/34/42/193383442.db2.gz PRYMSCSQGYTSEL-MRVPVSSYSA-N 0 0 300.284 2.223 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc(C#N)cs1 ZINC000189859449 284214392 /nfs/dbraw/zinc/21/43/92/284214392.db2.gz HDKUKYSDNQGXCF-MDZLAQPJSA-N 0 0 304.371 2.033 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=S)NC(=O)CC(C)C ZINC000008560003 181564526 /nfs/dbraw/zinc/56/45/26/181564526.db2.gz LJRVAEBPSJAZJV-UHFFFAOYSA-N 0 0 319.430 2.462 10 30 DEEERN C[C@@H](O/N=C/c1cccc([N+](=O)[O-])c1)C(=O)NCC(F)(F)F ZINC000012859906 181804070 /nfs/dbraw/zinc/80/40/70/181804070.db2.gz CDMCSLARJLMGHD-WTEYRUJWSA-N 0 0 319.239 2.012 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)NC[C@H]1CCC[C@@H]1O ZINC000266402609 205321531 /nfs/dbraw/zinc/32/15/31/205321531.db2.gz MRDHAIWPYYVRKX-RISCZKNCSA-N 0 0 306.337 2.120 10 30 DEEERN CSc1nc2n(n1)[C@@H](c1ccncc1)C1C(=O)CCCC1=N2 ZINC000017052441 182070629 /nfs/dbraw/zinc/07/06/29/182070629.db2.gz FVCAQTCTDPLJSY-ZDUSSCGKSA-N 0 0 313.386 2.417 10 30 DEEERN CN(CC/C(N)=N/O)Cc1ccc(F)cc1Br ZINC000019834037 182154785 /nfs/dbraw/zinc/15/47/85/182154785.db2.gz XHLRHMXUNBLTID-UHFFFAOYSA-N 0 0 304.163 2.157 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 ZINC000454807212 246169567 /nfs/dbraw/zinc/16/95/67/246169567.db2.gz LHQJQKWXCHHMHE-MELADBBJSA-N 0 0 314.451 2.092 10 30 DEEERN C=CC[C@H](CC)NC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000454910895 246245027 /nfs/dbraw/zinc/24/50/27/246245027.db2.gz LQZLNLGLFQXFMR-OLZOCXBDSA-N 0 0 322.430 2.211 10 30 DEEERN Fc1ccc(C#CCN2CCCN(c3cccnn3)CC2)cc1 ZINC000159879778 197370962 /nfs/dbraw/zinc/37/09/62/197370962.db2.gz PTMGGIHTJDFEHA-UHFFFAOYSA-N 0 0 310.376 2.180 10 30 DEEERN CCCCCCCCCC(=O)[C@@H](C(=O)[O-])[C@@H](O)C[N+](C)(C)C ZINC000100101250 193794843 /nfs/dbraw/zinc/79/48/43/193794843.db2.gz QDFUGZFFTZZWFP-JKSUJKDBSA-O 0 0 316.462 2.464 10 30 DEEERN C=C(CC)CNC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000459072907 248575157 /nfs/dbraw/zinc/57/51/57/248575157.db2.gz IQRVHYHZMVVYDJ-OAHLLOKOSA-N 0 0 301.390 2.400 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N(CC(F)F)C1CCS(=O)(=O)CC1 ZINC000487054485 248745166 /nfs/dbraw/zinc/74/51/66/248745166.db2.gz DNJNLPMJUUVYPP-NSHDSACASA-N 0 0 323.405 2.260 10 30 DEEERN C#CCn1c(CCCNC(=O)c2ccncc2)nc2ccccc21 ZINC000040184258 183044812 /nfs/dbraw/zinc/04/48/12/183044812.db2.gz SIPFVTZYCXNXEE-UHFFFAOYSA-N 0 0 318.380 2.427 10 30 DEEERN N#Cc1ccc(NC(=O)c2ccc(=O)[nH]c2)c(Br)c1 ZINC000040832786 183139218 /nfs/dbraw/zinc/13/92/18/183139218.db2.gz YFSXNRHRHCBNAI-UHFFFAOYSA-N 0 0 318.130 2.261 10 30 DEEERN N#CCN(Cc1ccccc1)S(=O)(=O)c1cc(N)cs1 ZINC000041068526 183162709 /nfs/dbraw/zinc/16/27/09/183162709.db2.gz SBIMKBZFTNMYFI-UHFFFAOYSA-N 0 0 307.400 2.045 10 30 DEEERN N#Cc1cccc(CS(=O)(=O)c2c(F)cc(N)cc2F)c1 ZINC000042193913 183240721 /nfs/dbraw/zinc/24/07/21/183240721.db2.gz BYHLVNRTCCOJJO-UHFFFAOYSA-N 0 0 308.309 2.393 10 30 DEEERN CC(C)(C#N)NS(=O)(=O)c1sccc1Br ZINC000042524359 183280111 /nfs/dbraw/zinc/28/01/11/183280111.db2.gz LMWFHDZETBBNQX-UHFFFAOYSA-N 0 0 309.210 2.091 10 30 DEEERN Cc1ccc(C(=O)N(C)Cc2csc(C#CCO)c2)cn1 ZINC000042363640 183258684 /nfs/dbraw/zinc/25/86/84/183258684.db2.gz CAUKFNPDEKWWQG-UHFFFAOYSA-N 0 0 300.383 2.068 10 30 DEEERN Cc1ccc(C#N)c(N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)n1 ZINC000284492846 218050766 /nfs/dbraw/zinc/05/07/66/218050766.db2.gz JUBYKGKWEAWWCH-AWEZNQCLSA-N 0 0 324.388 2.015 10 30 DEEERN C[C@H](NC(=O)N1CCO[C@@H](C#N)C1)c1ccc(F)c(Cl)c1 ZINC000106335203 194198761 /nfs/dbraw/zinc/19/87/61/194198761.db2.gz GDCKVCIANJWLPQ-ONGXEEELSA-N 0 0 311.744 2.474 10 30 DEEERN Cc1cc(C#N)nc(N2C[C@H]3CN(c4ccccc4)C[C@H]3C2)n1 ZINC000552952250 291729441 /nfs/dbraw/zinc/72/94/41/291729441.db2.gz XVLYLYRKWIAFAA-GASCZTMLSA-N 0 0 305.385 2.229 10 30 DEEERN N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000048763913 183685744 /nfs/dbraw/zinc/68/57/44/183685744.db2.gz IUBFKXXACVKYMY-OAHLLOKOSA-N 0 0 321.336 2.137 10 30 DEEERN COc1ccc(Cn2c(C)csc2=O)cc1C#CCCO ZINC000049619341 183748457 /nfs/dbraw/zinc/74/84/57/183748457.db2.gz BGKPTTXQHWCZHP-UHFFFAOYSA-N 0 0 303.383 2.009 10 30 DEEERN CC[C@H](C#N)N1CCN(C(=O)c2cc3c(s2)CCC3)CC1 ZINC000109446189 194263773 /nfs/dbraw/zinc/26/37/73/194263773.db2.gz GWMHXZKBNZXAMY-CYBMUJFWSA-N 0 0 303.431 2.297 10 30 DEEERN CC[C@@H](C#N)N1CCN(c2ncccc2Br)CC1 ZINC000109463947 194266121 /nfs/dbraw/zinc/26/61/21/194266121.db2.gz VYVWCINCWGCYCI-NSHDSACASA-N 0 0 309.211 2.268 10 30 DEEERN C=CCN[C@H](C(=O)OCC)c1cc(Cl)c2c(c1)OCCO2 ZINC000051961768 183843302 /nfs/dbraw/zinc/84/33/02/183843302.db2.gz YBJHNQNURZAKEO-ZDUSSCGKSA-N 0 0 311.765 2.491 10 30 DEEERN N#Cc1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)nc1 ZINC000110285851 194319812 /nfs/dbraw/zinc/31/98/12/194319812.db2.gz AKPBOQBGOSWTJG-UHFFFAOYSA-N 0 0 309.325 2.296 10 30 DEEERN COCCN[C@]1(C#N)CCc2cc(Br)ccc2C1 ZINC000110830264 194362211 /nfs/dbraw/zinc/36/22/11/194362211.db2.gz BPYLGEMMBRVRET-CQSZACIVSA-N 0 0 309.207 2.436 10 30 DEEERN C#CCOC[C@@H]1CCCN(C(=O)c2ccc(OC)cc2OC)C1 ZINC000056923033 184021839 /nfs/dbraw/zinc/02/18/39/184021839.db2.gz JBQADORQJVXURK-CQSZACIVSA-N 0 0 317.385 2.206 10 30 DEEERN N#Cc1ccccc1S(=O)(=O)N1CCC(n2cccc2)CC1 ZINC000058510425 184120957 /nfs/dbraw/zinc/12/09/57/184120957.db2.gz MQCAKKRSRCDXQN-UHFFFAOYSA-N 0 0 315.398 2.386 10 30 DEEERN N#Cc1ncccc1C[S@@](=O)c1nc2ccc(N)cc2s1 ZINC000061664068 184181953 /nfs/dbraw/zinc/18/19/53/184181953.db2.gz CVMHSHXYUFXVGS-NRFANRHFSA-N 0 0 314.395 2.453 10 30 DEEERN N#Cc1cccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000062191777 184218509 /nfs/dbraw/zinc/21/85/09/184218509.db2.gz MSHRGYCZKUHFLF-MRXNPFEDSA-N 0 0 323.327 2.011 10 30 DEEERN C[C@@H](CC#N)N(C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl ZINC000063086230 184269535 /nfs/dbraw/zinc/26/95/35/184269535.db2.gz YIVXYFSDKOZYEE-ZETCQYMHSA-N 0 0 322.217 2.498 10 30 DEEERN CCCC(=O)NCC(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000064883700 184305555 /nfs/dbraw/zinc/30/55/55/184305555.db2.gz OBPFHQOYHZVARZ-CYBMUJFWSA-N 0 0 301.390 2.384 10 30 DEEERN Cc1cc(C(F)(F)F)c(C#N)c(S[C@H]2CCNC2=O)n1 ZINC000179086751 291785972 /nfs/dbraw/zinc/78/59/72/291785972.db2.gz XUAYQAUWUNCFPV-VIFPVBQESA-N 0 0 301.293 2.261 10 30 DEEERN N#Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066000714 184384308 /nfs/dbraw/zinc/38/43/08/184384308.db2.gz IRKZZCCVJQDBRL-UHFFFAOYSA-N 0 0 323.355 2.006 10 30 DEEERN C=CCN(CC=C)C(=O)CNc1ccc(C(=O)NCC)cc1 ZINC000066093849 184388506 /nfs/dbraw/zinc/38/85/06/184388506.db2.gz GZUNQVBVKCGWOL-UHFFFAOYSA-N 0 0 301.390 2.049 10 30 DEEERN CCc1ncc(NC(=O)NCCOc2ccc(C#N)cc2)cn1 ZINC000119075760 194968712 /nfs/dbraw/zinc/96/87/12/194968712.db2.gz KJFTWRKDJPSEQI-UHFFFAOYSA-N 0 0 311.345 2.111 10 30 DEEERN CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC2(C1)CCCCC2 ZINC000370185322 285044488 /nfs/dbraw/zinc/04/44/88/285044488.db2.gz QSSRDALENQROGH-CQSZACIVSA-N 0 0 313.467 2.369 10 30 DEEERN C#CC[C@H](NC(=O)[C@@H]1CSCN1C(=O)CC)c1ccccc1 ZINC000270180587 208244632 /nfs/dbraw/zinc/24/46/32/208244632.db2.gz BOEYTLPYVVSADP-GJZGRUSLSA-N 0 0 316.426 2.179 10 30 DEEERN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(C#N)cc2C)C1 ZINC000158908999 197310833 /nfs/dbraw/zinc/31/08/33/197310833.db2.gz GCYQKBMYJWQPNR-AWEZNQCLSA-N 0 0 300.358 2.282 10 30 DEEERN C#CCn1ncc(N[C@H](C)C(C)(C)C)c(Br)c1=O ZINC000158524309 197281150 /nfs/dbraw/zinc/28/11/50/197281150.db2.gz KPSRUIJJKQOCEC-SECBINFHSA-N 0 0 312.211 2.486 10 30 DEEERN C=C(Br)CNCC(=O)Nc1c(F)cccc1F ZINC000157736534 197212259 /nfs/dbraw/zinc/21/22/59/197212259.db2.gz XFTVCTWPWDWRCF-UHFFFAOYSA-N 0 0 305.122 2.402 10 30 DEEERN C#CCn1ncc(NC2(C)CCCC2)c(Br)c1=O ZINC000156758303 197138913 /nfs/dbraw/zinc/13/89/13/197138913.db2.gz AXTPRLRRCZYLSC-UHFFFAOYSA-N 0 0 310.195 2.384 10 30 DEEERN Cc1ccc(C#CCO)cc1C(=O)NC[C@@H]1CCCCS1 ZINC000156558678 197124117 /nfs/dbraw/zinc/12/41/17/197124117.db2.gz NUFGJSDFEZSPLE-HNNXBMFYSA-N 0 0 303.427 2.354 10 30 DEEERN Cc1oc(NC(=O)CN2CC[C@@H]3OCCC[C@@H]3C2)c(C#N)c1C ZINC000155527905 197063676 /nfs/dbraw/zinc/06/36/76/197063676.db2.gz BYPIMKIRQIRLRL-HIFRSBDPSA-N 0 0 317.389 2.208 10 30 DEEERN C=CCCOCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000155068695 197018912 /nfs/dbraw/zinc/01/89/12/197018912.db2.gz VMWNTUUTHGAQTH-UHFFFAOYSA-N 0 0 303.318 2.399 10 30 DEEERN CCN(CCC#N)C(=O)CN[C@H](C)c1cc(OC)ccc1OC ZINC000120609193 195201431 /nfs/dbraw/zinc/20/14/31/195201431.db2.gz GZWVTWILTKWVAK-CYBMUJFWSA-N 0 0 319.405 2.117 10 30 DEEERN N#Cc1cnc(N2CCN(Cc3cccc(Cl)c3)CC2)cn1 ZINC000120643835 195207136 /nfs/dbraw/zinc/20/71/36/195207136.db2.gz XGEVXTQROSPGNR-UHFFFAOYSA-N 0 0 313.792 2.324 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc2c(c1)OCC(=O)N2 ZINC000120737525 195227663 /nfs/dbraw/zinc/22/76/63/195227663.db2.gz ZNGPYYMFVPZFDL-LBPRGKRZSA-N 0 0 315.373 2.019 10 30 DEEERN Cc1cncc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000120848112 195250290 /nfs/dbraw/zinc/25/02/90/195250290.db2.gz LHGYOABNWFQHLE-UHFFFAOYSA-N 0 0 321.789 2.394 10 30 DEEERN C=CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)c1ccc(C)nc1 ZINC000248096400 257108914 /nfs/dbraw/zinc/10/89/14/257108914.db2.gz MMQWOMNMQSGZAG-GVDBMIGSSA-N 0 0 316.401 2.212 10 30 DEEERN C#C[C@]1(O)CC[C@@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21C ZINC000256456134 257103919 /nfs/dbraw/zinc/10/39/19/257103919.db2.gz RONQVEAZNZIVHW-XSINAMBDSA-N 0 0 314.425 2.463 10 30 DEEERN CC(=O)N[C@H](CC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000122198652 195417226 /nfs/dbraw/zinc/41/72/26/195417226.db2.gz CMGOWPOLPHSITG-WBVHZDCISA-N 0 0 301.390 2.308 10 30 DEEERN C[C@H](Nc1cnc(C#N)cn1)c1ccc(N2CCOC2=O)cc1 ZINC000122437489 195451852 /nfs/dbraw/zinc/45/18/52/195451852.db2.gz KMVIYUQGFHZDEN-NSHDSACASA-N 0 0 309.329 2.478 10 30 DEEERN C[C@H]1CCO[C@@H]1C(=O)Nc1cc(Cl)ccc1C#CCCO ZINC000124456537 195643067 /nfs/dbraw/zinc/64/30/67/195643067.db2.gz JLUCIJXQSDXOOW-NHYWBVRUSA-N 0 0 307.777 2.437 10 30 DEEERN C[C@]1(CNC(=O)c2csc(C#CCCO)c2)CCCS1 ZINC000124562647 195654856 /nfs/dbraw/zinc/65/48/56/195654856.db2.gz VZNSGEIZMSEASR-OAHLLOKOSA-N 0 0 309.456 2.498 10 30 DEEERN Cc1cc(C(=O)NC[C@]2(C)CCCS2)sc1C#CCO ZINC000124571578 195655707 /nfs/dbraw/zinc/65/57/07/195655707.db2.gz OFOHESHGAYDHKP-HNNXBMFYSA-N 0 0 309.456 2.416 10 30 DEEERN Cc1nnsc1C(=O)Nc1ccc(Cl)cc1C#CCO ZINC000125098415 195712416 /nfs/dbraw/zinc/71/24/16/195712416.db2.gz LZGSKSCYBCSTDN-UHFFFAOYSA-N 0 0 307.762 2.096 10 30 DEEERN CC(C)(C#N)c1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000127730878 195905216 /nfs/dbraw/zinc/90/52/16/195905216.db2.gz GZWNKFMABSUUAU-LBPRGKRZSA-N 0 0 320.414 2.251 10 30 DEEERN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@@H]1c1ccco1 ZINC000407974133 533397251 /nfs/dbraw/zinc/39/72/51/533397251.db2.gz CHYYNOLCUCHXRH-QWHCGFSZSA-N 0 0 311.407 2.285 10 30 DEEERN CSCC[C@@H](C)N(C)S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000312545776 533594564 /nfs/dbraw/zinc/59/45/64/533594564.db2.gz LNMFTHIBPGFXFW-SNVBAGLBSA-N 0 0 313.448 2.024 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N(C)CCCC ZINC000453454165 533536050 /nfs/dbraw/zinc/53/60/50/533536050.db2.gz BUXXIYZMHCWXTR-UHFFFAOYSA-N 0 0 303.414 2.194 10 30 DEEERN C[C@H](CC#N)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000373256751 533612051 /nfs/dbraw/zinc/61/20/51/533612051.db2.gz RNTFVXRDOOOIDJ-QPSCCSFWSA-N 0 0 313.405 2.032 10 30 DEEERN COC[C@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)CC(C)(C)O1 ZINC000285653555 285458938 /nfs/dbraw/zinc/45/89/38/285458938.db2.gz XVEQYFHFTVXSBI-LLVKDONJSA-N 0 0 324.327 2.102 10 30 DEEERN N#Cc1cnccc1NCc1ccc(CN2CCCC2=O)cc1 ZINC000546653502 285509669 /nfs/dbraw/zinc/50/96/69/285509669.db2.gz COWMYFRNMRMLRH-UHFFFAOYSA-N 0 0 306.369 2.110 10 30 DEEERN Cn1cc(N2CCC[C@@H](NC(=O)Nc3ccc(C#N)cc3)C2)cn1 ZINC000174308297 132508350 /nfs/dbraw/zinc/50/83/50/132508350.db2.gz JGYIPOVGYYKELZ-OAHLLOKOSA-N 0 0 324.388 2.082 10 30 DEEERN CCC[C@@H](CC)NC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000195282879 132546414 /nfs/dbraw/zinc/54/64/14/132546414.db2.gz UZZBDUBZPFBDJV-OAHLLOKOSA-N 0 0 315.421 2.364 10 30 DEEERN N#Cc1ccc(CNC(=O)NCc2ccc3cc[nH]c3n2)cc1 ZINC000357655814 133091636 /nfs/dbraw/zinc/09/16/36/133091636.db2.gz WSZKUZMTNJKSDZ-UHFFFAOYSA-N 0 0 305.341 2.434 10 30 DEEERN N#Cc1cnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)cn1 ZINC000368424812 133272578 /nfs/dbraw/zinc/27/25/78/133272578.db2.gz AGPGDURJOYNEAA-INIZCTEOSA-N 0 0 314.776 2.186 10 30 DEEERN O=C(NCc1cncs1)c1ccc(C#CCCO)c(Cl)c1 ZINC000128569501 195975362 /nfs/dbraw/zinc/97/53/62/195975362.db2.gz FOLIBMMOSVZMIV-UHFFFAOYSA-N 0 0 320.801 2.460 10 30 DEEERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000329877762 404479210 /nfs/dbraw/zinc/47/92/10/404479210.db2.gz JTKGSVQUXKHGCF-QBIMZIAESA-N 0 0 316.401 2.325 10 30 DEEERN N#Cc1cnc(NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cn1 ZINC000106465056 144625754 /nfs/dbraw/zinc/62/57/54/144625754.db2.gz DLYCEVXGYVDOTL-HNNXBMFYSA-N 0 0 323.356 2.078 10 30 DEEERN C[C@H]1CC[C@@H](CCC(=O)N2CC(Oc3ccc(C#N)cc3)C2)O1 ZINC000130517989 144754083 /nfs/dbraw/zinc/75/40/83/144754083.db2.gz IHPBVOHBYDHXPK-ZFWWWQNUSA-N 0 0 314.385 2.496 10 30 DEEERN CNC(=O)[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000178904568 144867822 /nfs/dbraw/zinc/86/78/22/144867822.db2.gz UWJYYMVTPHBVEN-LBPRGKRZSA-N 0 0 308.769 2.104 10 30 DEEERN CNC(=O)c1cc(NC(=O)c2ccnc(C#N)c2)ccc1Cl ZINC000192795421 145078844 /nfs/dbraw/zinc/07/88/44/145078844.db2.gz KFVVBNIPZNVYQL-UHFFFAOYSA-N 0 0 314.732 2.219 10 30 DEEERN N#Cc1cc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)ccn1 ZINC000192902454 145080497 /nfs/dbraw/zinc/08/04/97/145080497.db2.gz CCROIJLGYQCIHO-UHFFFAOYSA-N 0 0 321.315 2.208 10 30 DEEERN CO[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC[C@H]1C ZINC000252004903 145198039 /nfs/dbraw/zinc/19/80/39/145198039.db2.gz WYSNFUSJDHMXHK-DVOMOZLQSA-N 0 0 301.390 2.242 10 30 DEEERN CCCOc1cc(C)ccc1NC(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000356917698 147002838 /nfs/dbraw/zinc/00/28/38/147002838.db2.gz NZVZANGNYZUUSX-GFCCVEGCSA-N 0 0 313.361 2.447 10 30 DEEERN CCCOc1cc(C)ccc1NC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000356917701 147003446 /nfs/dbraw/zinc/00/34/46/147003446.db2.gz NZVZANGNYZUUSX-LBPRGKRZSA-N 0 0 313.361 2.447 10 30 DEEERN C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(C#N)cc1F ZINC000359029601 147249585 /nfs/dbraw/zinc/24/95/85/147249585.db2.gz NZGRGLUXMZLGIK-LLVKDONJSA-N 0 0 310.394 2.315 10 30 DEEERN C[C@@H](c1ccccc1)[C@H](NC(=O)c1sccc1C#N)C(N)=O ZINC000359233596 147287665 /nfs/dbraw/zinc/28/76/65/147287665.db2.gz UNBGRNNKQKBLSB-GWCFXTLKSA-N 0 0 313.382 2.007 10 30 DEEERN Cc1cc(=O)[nH]cc1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371362313 148093829 /nfs/dbraw/zinc/09/38/29/148093829.db2.gz VLEYEDATIVWWNB-MRXNPFEDSA-N 0 0 323.352 2.181 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCn2nccc21 ZINC000375586457 148388817 /nfs/dbraw/zinc/38/88/17/148388817.db2.gz GHRMVDFFYXTAIK-INIZCTEOSA-N 0 0 310.357 2.205 10 30 DEEERN Cc1ccnc(N2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)c1C#N ZINC000407980767 148551204 /nfs/dbraw/zinc/55/12/04/148551204.db2.gz NYEHHSLYCAECOX-INMHGKMJSA-N 0 0 301.390 2.018 10 30 DEEERN CN1CC[C@H](NC(=O)C(C)(C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000127675341 401745107 /nfs/dbraw/zinc/74/51/07/401745107.db2.gz WZXCSCCDJQNNRF-UONOGXRCSA-N 0 0 307.344 2.376 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000112667354 401752948 /nfs/dbraw/zinc/75/29/48/401752948.db2.gz CBJADMFTAMKEFJ-ZDUSSCGKSA-N 0 0 305.422 2.409 10 30 DEEERN C[C@H]1C[C@H](C)CN(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000128122320 401763477 /nfs/dbraw/zinc/76/34/77/401763477.db2.gz KPQPPSJUEMGUAA-KBPBESRZSA-N 0 0 306.431 2.310 10 30 DEEERN C=CCNC(=O)N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000128312955 401771065 /nfs/dbraw/zinc/77/10/65/401771065.db2.gz MOARZQVARAHHMA-ZDUSSCGKSA-N 0 0 319.405 2.476 10 30 DEEERN C=CCC[C@@H](O)CN(CC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000128408163 401775519 /nfs/dbraw/zinc/77/55/19/401775519.db2.gz WDUBHEPSUDUXTC-CYBMUJFWSA-N 0 0 313.344 2.267 10 30 DEEERN CC(=O)N1CCc2cc(NC(=O)c3ccc(C#N)nc3)ccc21 ZINC000115009325 401817382 /nfs/dbraw/zinc/81/73/82/401817382.db2.gz SYECIQRXZKKVNG-UHFFFAOYSA-N 0 0 306.325 2.115 10 30 DEEERN CC1(C)CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CCO1 ZINC000077607185 401822142 /nfs/dbraw/zinc/82/21/42/401822142.db2.gz ABJPDUDKZRRHMW-UHFFFAOYSA-N 0 0 314.794 2.011 10 30 DEEERN C[C@H](CN1CCOCC1)Nc1nc(C(F)(F)F)ccc1C#N ZINC000115515942 401830654 /nfs/dbraw/zinc/83/06/54/401830654.db2.gz XCRHKESGQLIQFV-SNVBAGLBSA-N 0 0 314.311 2.105 10 30 DEEERN C#CCCCCNC(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000130620525 401836230 /nfs/dbraw/zinc/83/62/30/401836230.db2.gz DTBBWEUCGLTDFT-MRXNPFEDSA-N 0 0 319.449 2.270 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000078344893 401847314 /nfs/dbraw/zinc/84/73/14/401847314.db2.gz NFWSSIOJRHVOOK-LBPRGKRZSA-N 0 0 300.358 2.096 10 30 DEEERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CCC#N ZINC000078343100 401847607 /nfs/dbraw/zinc/84/76/07/401847607.db2.gz KKULDPAMCNIUBI-DZGCQCFKSA-N 0 0 301.390 2.203 10 30 DEEERN COc1ccc(CNC(=O)CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000078519328 401854589 /nfs/dbraw/zinc/85/45/89/401854589.db2.gz VVRSQKGNDVHKMP-UHFFFAOYSA-N 0 0 323.396 2.315 10 30 DEEERN C=CC[C@@H](C)NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000116852195 401861521 /nfs/dbraw/zinc/86/15/21/401861521.db2.gz QMKVDDHQTDRANS-ZBFHGGJFSA-N 0 0 300.402 2.158 10 30 DEEERN C=CC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000116858671 401861756 /nfs/dbraw/zinc/86/17/56/401861756.db2.gz STTGKARWNAIPEY-MNOVXSKESA-N 0 0 308.328 2.399 10 30 DEEERN C=CCNC(=O)NC(=O)[C@@H](C)N(C)Cc1ccc(Cl)cc1 ZINC000031006917 401867741 /nfs/dbraw/zinc/86/77/41/401867741.db2.gz SSFVOLPIBHFTDP-LLVKDONJSA-N 0 0 309.797 2.172 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000135036144 401924963 /nfs/dbraw/zinc/92/49/63/401924963.db2.gz ZLEGBUDXZQNZJP-WBVHZDCISA-N 0 0 305.422 2.330 10 30 DEEERN C#CCOc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000135310164 401935211 /nfs/dbraw/zinc/93/52/11/401935211.db2.gz ZMNNCZURGOHZTD-ZDUSSCGKSA-N 0 0 324.384 2.117 10 30 DEEERN O=C(NO)/C(=C\c1ccccc1)C(=O)NCc1ccc(F)cc1 ZINC000035274073 401897582 /nfs/dbraw/zinc/89/75/82/401897582.db2.gz HJPWSHCUMPAXLD-GDNBJRDFSA-N 0 0 314.316 2.031 10 30 DEEERN CC#CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000135921198 401955120 /nfs/dbraw/zinc/95/51/20/401955120.db2.gz NFFZIWNHZGHVRN-HUUCEWRRSA-N 0 0 305.809 2.408 10 30 DEEERN C#CCSCCNC(=O)N(C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000136372163 401966858 /nfs/dbraw/zinc/96/68/58/401966858.db2.gz QRJJUSZSTUENAA-XJKSGUPXSA-N 0 0 318.442 2.386 10 30 DEEERN CCCC[C@H](NC(=O)NCC)C(=O)NCc1cccc(C#N)c1 ZINC000137254208 401981446 /nfs/dbraw/zinc/98/14/46/401981446.db2.gz BDSPEXZZZKZOSI-HNNXBMFYSA-N 0 0 316.405 2.052 10 30 DEEERN C#CCSCCNC(=O)N1CCC[C@H](n2ccnc2CC)C1 ZINC000121434670 402035831 /nfs/dbraw/zinc/03/58/31/402035831.db2.gz SGFPLAPSFWDVLC-AWEZNQCLSA-N 0 0 320.462 2.158 10 30 DEEERN CN(C)c1ncccc1CNC(=O)NCc1cccc(C#N)c1 ZINC000048977608 402010307 /nfs/dbraw/zinc/01/03/07/402010307.db2.gz KZWWGTCYWAFQQI-UHFFFAOYSA-N 0 0 309.373 2.019 10 30 DEEERN CC(C)[C@@](C)(C#N)NC(=O)CN1c2ccccc2SCC1=O ZINC000122301836 402071212 /nfs/dbraw/zinc/07/12/12/402071212.db2.gz GHKYXXKOTATTFQ-MRXNPFEDSA-N 0 0 317.414 2.180 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000122483325 402081155 /nfs/dbraw/zinc/08/11/55/402081155.db2.gz GYVXGWPLUBFVPF-UHFFFAOYSA-N 0 0 305.403 2.459 10 30 DEEERN Cc1cnn(Cc2cc(C(=O)N(C)c3cccc(C#N)c3)no2)c1 ZINC000123004758 402105650 /nfs/dbraw/zinc/10/56/50/402105650.db2.gz WFDNTXLYLVAVSO-UHFFFAOYSA-N 0 0 321.340 2.376 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1COc2ccccc21 ZINC000060730020 402106393 /nfs/dbraw/zinc/10/63/93/402106393.db2.gz URWSHEJPVQMLFZ-OAHLLOKOSA-N 0 0 321.336 2.055 10 30 DEEERN C=CCOc1ccccc1CNC(=O)NCC[C@@H](C)[S@](C)=O ZINC000123731605 402143621 /nfs/dbraw/zinc/14/36/21/402143621.db2.gz JMPZJNPPQOLGKW-MCMMXHMISA-N 0 0 324.446 2.208 10 30 DEEERN C#CCOCCC(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000153428876 402144397 /nfs/dbraw/zinc/14/43/97/402144397.db2.gz QNHUYXRGDDRMFC-BBRMVZONSA-N 0 0 305.349 2.154 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CCN(CC(F)F)[C@@H](CC)C1 ZINC000153396078 402142345 /nfs/dbraw/zinc/14/23/45/402142345.db2.gz DBOVTLAVRNIWQK-AWEZNQCLSA-N 0 0 317.424 2.072 10 30 DEEERN CC(=O)[C@H]1CC(C(=O)NC2(C#N)CCCC2)=NN1c1ccccc1 ZINC000101642171 402152168 /nfs/dbraw/zinc/15/21/68/402152168.db2.gz HXFUADDOPARUTF-MRXNPFEDSA-N 0 0 324.384 2.163 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125455711 402233622 /nfs/dbraw/zinc/23/36/22/402233622.db2.gz GYQHZVVYFWKQRB-ZDUSSCGKSA-N 0 0 324.384 2.455 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CSC(=O)N1 ZINC000155252335 402250284 /nfs/dbraw/zinc/25/02/84/402250284.db2.gz LKESYJGVEFQLRG-ZDUSSCGKSA-N 0 0 306.387 2.035 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCN(CC(F)F)[C@@H](CC)C1 ZINC000125825280 402252370 /nfs/dbraw/zinc/25/23/70/402252370.db2.gz GEYAPWIELZYKDP-OLZOCXBDSA-N 0 0 304.381 2.156 10 30 DEEERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000108613380 402258673 /nfs/dbraw/zinc/25/86/73/402258673.db2.gz RZDGPOGLTSLHEY-PWSUYJOCSA-N 0 0 303.387 2.155 10 30 DEEERN COc1cc(CCC(=O)N[C@H](C#N)C2CC2)cc(OC)c1OC ZINC000108838308 402262445 /nfs/dbraw/zinc/26/24/45/402262445.db2.gz YMAVKLPQIIHGKD-CYBMUJFWSA-N 0 0 318.373 2.063 10 30 DEEERN N#C[C@H](NC(=O)CCc1nc(-c2ccsc2)no1)C1CC1 ZINC000108829923 402262617 /nfs/dbraw/zinc/26/26/17/402262617.db2.gz NEUGKBOQEMXLII-NSHDSACASA-N 0 0 302.359 2.149 10 30 DEEERN Cc1cc(C)cc(N2CC[C@H](C(=O)N[C@H](C#N)C3CC3)C2=O)c1 ZINC000108834474 402262622 /nfs/dbraw/zinc/26/26/22/402262622.db2.gz BHCJYOYBHIMYLH-HZPDHXFCSA-N 0 0 311.385 2.075 10 30 DEEERN CSCCC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000071059926 402269869 /nfs/dbraw/zinc/26/98/69/402269869.db2.gz HMVBSCKPDNIYGZ-HNNXBMFYSA-N 0 0 303.431 2.149 10 30 DEEERN C[C@@H]1CC(NC(=O)NCCOc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000159445719 402324022 /nfs/dbraw/zinc/32/40/22/402324022.db2.gz DFZNCEWUDXVIBZ-CHWSQXEVSA-N 0 0 317.389 2.192 10 30 DEEERN COc1ccc(CNC(=O)CN(CC#N)C2CCCC2)cc1 ZINC000156697243 402286597 /nfs/dbraw/zinc/28/65/97/402286597.db2.gz HVILETGLDKIHIW-UHFFFAOYSA-N 0 0 301.390 2.080 10 30 DEEERN CCN(CCC#N)C(=O)CN1CCC(c2nc(C)cs2)CC1 ZINC000156784844 402288454 /nfs/dbraw/zinc/28/84/54/402288454.db2.gz ARFNUKWSGJFHPN-UHFFFAOYSA-N 0 0 320.462 2.393 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(CC#Cc3ccc(F)cc3)[C@@H]2C1 ZINC000157995090 402300394 /nfs/dbraw/zinc/30/03/94/402300394.db2.gz BFUZNPJMXSCFNL-KURKYZTESA-N 0 0 303.377 2.446 10 30 DEEERN N#CCOc1ccc(CNC(=O)[C@@H]2CCCc3n[nH]cc32)cc1 ZINC000176558395 402319641 /nfs/dbraw/zinc/31/96/41/402319641.db2.gz OJNSRUIQRWAHCX-CQSZACIVSA-N 0 0 310.357 2.048 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCCSCc1ccccc1C#N ZINC000176560679 402319724 /nfs/dbraw/zinc/31/97/24/402319724.db2.gz DITMCMOLCGPBDD-UHFFFAOYSA-N 0 0 324.409 2.432 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000160449670 402345863 /nfs/dbraw/zinc/34/58/63/402345863.db2.gz SDTGCWJVVWSBTB-QWHCGFSZSA-N 0 0 302.378 2.205 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000160615520 402353877 /nfs/dbraw/zinc/35/38/77/402353877.db2.gz WZGCQJCOPHUBOE-UHFFFAOYSA-N 0 0 321.380 2.385 10 30 DEEERN N#C[C@H](NC(=O)c1cc(COc2ccccc2F)on1)C1CC1 ZINC000185507859 402357984 /nfs/dbraw/zinc/35/79/84/402357984.db2.gz WOHKSISZQQDSHG-AWEZNQCLSA-N 0 0 315.304 2.425 10 30 DEEERN Cc1noc([C@H]2COCCN2CC#Cc2cccc(Cl)c2)n1 ZINC000160969749 402367787 /nfs/dbraw/zinc/36/77/87/402367787.db2.gz CXAPGTOCUYHOJC-OAHLLOKOSA-N 0 0 317.776 2.456 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000185873203 402384400 /nfs/dbraw/zinc/38/44/00/402384400.db2.gz SARJCDJOIYICQI-OCCSQVGLSA-N 0 0 314.385 2.433 10 30 DEEERN CC#CCCCC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000185869930 402384644 /nfs/dbraw/zinc/38/46/44/402384644.db2.gz SZIDXXQNYYAUKF-HUUCEWRRSA-N 0 0 305.374 2.124 10 30 DEEERN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C#N)C2CC2)cc1OC ZINC000161784802 402398939 /nfs/dbraw/zinc/39/89/39/402398939.db2.gz CRQDCHRZABQAEJ-LLVKDONJSA-N 0 0 319.317 2.034 10 30 DEEERN C[C@@]1(C(=O)N[C@H](C#N)C2CC2)CCCN1C(=O)c1ccccc1 ZINC000161834364 402400786 /nfs/dbraw/zinc/40/07/86/402400786.db2.gz XOQZBCQLXKAKMG-QAPCUYQASA-N 0 0 311.385 2.100 10 30 DEEERN CN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000186150691 402405287 /nfs/dbraw/zinc/40/52/87/402405287.db2.gz LAPYNAWXHLVJAS-LBPRGKRZSA-N 0 0 312.291 2.237 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000186226062 402412788 /nfs/dbraw/zinc/41/27/88/402412788.db2.gz YDHXIVMHOYBGIS-LSDHHAIUSA-N 0 0 321.396 2.031 10 30 DEEERN C=CCOc1cccc(NC(=O)CNC(=O)c2cccnc2)c1 ZINC000162527582 402423345 /nfs/dbraw/zinc/42/33/45/402423345.db2.gz IUEZLBPLRCROLT-UHFFFAOYSA-N 0 0 311.341 2.015 10 30 DEEERN N#Cc1ccc(C(F)(F)F)nc1N1CC(NC(=O)C2CCC2)C1 ZINC000186459907 402432897 /nfs/dbraw/zinc/43/28/97/402432897.db2.gz NKLLNDPXZOYZBN-UHFFFAOYSA-N 0 0 324.306 2.077 10 30 DEEERN Cc1cnn(Cc2cc(C(=O)NCc3ccc(C#N)cc3)no2)c1 ZINC000162908027 402436261 /nfs/dbraw/zinc/43/62/61/402436261.db2.gz HYYVHYZBWQSSDI-UHFFFAOYSA-N 0 0 321.340 2.030 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC000185922709 402389745 /nfs/dbraw/zinc/38/97/45/402389745.db2.gz IKTPYGPOMYVTEG-GFCCVEGCSA-N 0 0 312.797 2.437 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1cccc(CN2CCOCC2)n1 ZINC000185974437 402394062 /nfs/dbraw/zinc/39/40/62/402394062.db2.gz YLIQNEQUVDQTHB-CQSZACIVSA-N 0 0 303.406 2.455 10 30 DEEERN COc1ccccc1N1CC[C@H](NC(=O)C#Cc2ccccc2)C1 ZINC000163578573 402453106 /nfs/dbraw/zinc/45/31/06/402453106.db2.gz GSOFTFVBYXCOQQ-KRWDZBQOSA-N 0 0 320.392 2.442 10 30 DEEERN Cc1oc(NC(=O)[C@H](C)N2CCCO[C@@H](C)C2)c(C#N)c1C ZINC000245403971 402456278 /nfs/dbraw/zinc/45/62/78/402456278.db2.gz NNKHHFKYHCNACE-JQWIXIFHSA-N 0 0 305.378 2.206 10 30 DEEERN CC(C)CCN(CCC#N)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000245436990 402460604 /nfs/dbraw/zinc/46/06/04/402460604.db2.gz DPAOIPWEQXJARA-IAGOWNOFSA-N 0 0 321.465 2.418 10 30 DEEERN CC1(C)CC[C@H](CNC(=O)NCCOc2ccc(C#N)cc2)O1 ZINC000186886451 402468973 /nfs/dbraw/zinc/46/89/73/402468973.db2.gz XRDMEIAIHOHQBE-OAHLLOKOSA-N 0 0 317.389 2.194 10 30 DEEERN N#Cc1ccc(C2(C(=O)N3CC[C@](O)(C(F)(F)F)C3)CC2)cc1 ZINC000187239187 402489371 /nfs/dbraw/zinc/48/93/71/402489371.db2.gz YCDLADLCHGWRTO-OAHLLOKOSA-N 0 0 324.302 2.116 10 30 DEEERN C=CCCCN(C)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000178373630 402491341 /nfs/dbraw/zinc/49/13/41/402491341.db2.gz BUBNGHXWKSLLCB-UHFFFAOYSA-N 0 0 308.403 2.446 10 30 DEEERN COC(=O)c1cncc(NC(=O)CCc2ccc(C#N)cc2)c1 ZINC000178394790 402493568 /nfs/dbraw/zinc/49/35/68/402493568.db2.gz CXNCGMBHQYYGNG-UHFFFAOYSA-N 0 0 309.325 2.311 10 30 DEEERN CC(C)c1noc(CCCNC(=O)N2CCC(C#N)CC2)n1 ZINC000171199898 402566290 /nfs/dbraw/zinc/56/62/90/402566290.db2.gz XDLNIGOSMCPAMH-UHFFFAOYSA-N 0 0 305.382 2.071 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)NCCc1nc(C)no1 ZINC000171237334 402569807 /nfs/dbraw/zinc/56/98/07/402569807.db2.gz QCLBSXQOCSLIMJ-UHFFFAOYSA-N 0 0 318.352 2.457 10 30 DEEERN C[C@H]1C(=O)NCCCN1Cc1cccc(OCCCC#N)c1 ZINC000189071326 402530843 /nfs/dbraw/zinc/53/08/43/402530843.db2.gz UABIPKCMRLFJPS-AWEZNQCLSA-N 0 0 301.390 2.080 10 30 DEEERN COc1cccc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)n1 ZINC000189204982 402531729 /nfs/dbraw/zinc/53/17/29/402531729.db2.gz YZHSXZCKCGGBLG-UHFFFAOYSA-N 0 0 307.353 2.310 10 30 DEEERN COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H]2OCCC[C@H]2C1 ZINC000246518716 402534450 /nfs/dbraw/zinc/53/44/50/402534450.db2.gz FRZDBECPQPHPLO-BBWFWOEESA-N 0 0 314.385 2.273 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cc(C#N)cs3)[C@@H]2C1 ZINC000179294411 402583912 /nfs/dbraw/zinc/58/39/12/402583912.db2.gz QQMVBGCCHWSAJB-JHJVBQTASA-N 0 0 306.387 2.028 10 30 DEEERN C[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(C#N)nc1 ZINC000248541822 402594970 /nfs/dbraw/zinc/59/49/70/402594970.db2.gz IIDANSXCQXIULB-LALPHHSUSA-N 0 0 305.403 2.295 10 30 DEEERN CCOC(=O)CN(C(=O)c1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000179931726 402603635 /nfs/dbraw/zinc/60/36/35/402603635.db2.gz MNKWMCVHJDBNRZ-UHFFFAOYSA-N 0 0 312.369 2.409 10 30 DEEERN Cn1ccnc1SCc1ccc(C(=O)N[C@@H](C#N)C2CC2)o1 ZINC000171722536 402615071 /nfs/dbraw/zinc/61/50/71/402615071.db2.gz IDFDWHVSWJKBIE-LBPRGKRZSA-N 0 0 316.386 2.337 10 30 DEEERN CCn1cc([C@@H]2CN(Cc3cc(C#N)ccc3F)CCO2)cn1 ZINC000190776416 402622195 /nfs/dbraw/zinc/62/21/95/402622195.db2.gz LTLBJXSYIRDABA-KRWDZBQOSA-N 0 0 314.364 2.487 10 30 DEEERN CN1CCO[C@@H](CNc2c(C#N)cnc3c(F)cc(F)cc32)C1 ZINC000171819384 402625377 /nfs/dbraw/zinc/62/53/77/402625377.db2.gz LRVOJLSDMMDQRZ-LBPRGKRZSA-N 0 0 318.327 2.127 10 30 DEEERN N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1 ZINC000181365247 402642797 /nfs/dbraw/zinc/64/27/97/402642797.db2.gz AQJQAFBHRDGDRH-OAHLLOKOSA-N 0 0 309.373 2.363 10 30 DEEERN C=CCOc1ccccc1C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000172431289 402655623 /nfs/dbraw/zinc/65/56/23/402655623.db2.gz BOCYFZYGHQQUOD-OLZOCXBDSA-N 0 0 302.374 2.025 10 30 DEEERN CCc1nccn1[C@H]1CCCN(C(=O)NCCCCC#N)C1 ZINC000172462234 402657615 /nfs/dbraw/zinc/65/76/15/402657615.db2.gz SQNVOIVKXILOJK-AWEZNQCLSA-N 0 0 303.410 2.486 10 30 DEEERN Cc1ccc(OCC(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000173886315 402717182 /nfs/dbraw/zinc/71/71/82/402717182.db2.gz OJCJCVSQKZBYGL-UHFFFAOYSA-N 0 0 310.353 2.441 10 30 DEEERN N#Cc1ccc(OCCNC(=O)[C@@H]2Cc3ccccc3O2)cc1 ZINC000173890653 402717717 /nfs/dbraw/zinc/71/77/17/402717717.db2.gz GNPAAJROGWICSO-KRWDZBQOSA-N 0 0 308.337 2.057 10 30 DEEERN Cc1ccc(NC(=O)CON=C2CCCc3nonc32)cc1 ZINC000254660022 402671245 /nfs/dbraw/zinc/67/12/45/402671245.db2.gz XGQVJIRXTBAUCZ-UHFFFAOYSA-N 0 0 300.318 2.074 10 30 DEEERN CCn1cc([C@@H]2CN(C(=O)c3ccc(C#N)cc3C)CCO2)cn1 ZINC000191710705 402687619 /nfs/dbraw/zinc/68/76/19/402687619.db2.gz FDVMUMNNLVBQKQ-KRWDZBQOSA-N 0 0 324.384 2.297 10 30 DEEERN CC(C)CC[C@](C)(O)CNC(=O)Nc1ccn(CCC#N)n1 ZINC000173375416 402694780 /nfs/dbraw/zinc/69/47/80/402694780.db2.gz NBMBAOWPPQWMSB-HNNXBMFYSA-N 0 0 307.398 2.105 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000182844504 402720978 /nfs/dbraw/zinc/72/09/78/402720978.db2.gz FKZQUBIBKHQWJP-ZBFHGGJFSA-N 0 0 304.390 2.383 10 30 DEEERN COCc1csc(NC(=O)NCc2cccc(C#N)c2)n1 ZINC000174368133 402737997 /nfs/dbraw/zinc/73/79/97/402737997.db2.gz QOQOBTNPIDUMPT-UHFFFAOYSA-N 0 0 302.359 2.483 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCOc1ccc(C(C)C)cc1 ZINC000183142260 402742423 /nfs/dbraw/zinc/74/24/23/402742423.db2.gz BZAAREJROATFHT-OAHLLOKOSA-N 0 0 306.406 2.425 10 30 DEEERN N#Cc1cc(C(=O)NCc2ccnc(N3CCCCC3)c2)ccn1 ZINC000192761926 402748397 /nfs/dbraw/zinc/74/83/97/402748397.db2.gz ILQXZYKJMRIKKE-UHFFFAOYSA-N 0 0 321.384 2.269 10 30 DEEERN N#Cc1cc(C(=O)N2CCCN(c3ccccc3)CC2)ccn1 ZINC000192814273 402751488 /nfs/dbraw/zinc/75/14/88/402751488.db2.gz SEVLKEAIYHZISV-UHFFFAOYSA-N 0 0 306.369 2.306 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCCCOc1ccc(F)cc1 ZINC000182851696 402722317 /nfs/dbraw/zinc/72/23/17/402722317.db2.gz MULWJOMKLXQJJF-CQSZACIVSA-N 0 0 310.369 2.221 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000183853015 402801845 /nfs/dbraw/zinc/80/18/45/402801845.db2.gz XJGDPVHUNUMBNV-ZIAGYGMSSA-N 0 0 323.824 2.155 10 30 DEEERN CC[C@H](CC#N)NC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000183869391 402802504 /nfs/dbraw/zinc/80/25/04/402802504.db2.gz FURQPRCQVLLTMZ-GDBMZVCRSA-N 0 0 317.389 2.071 10 30 DEEERN CC[C@@H](CC#N)NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000183951705 402807825 /nfs/dbraw/zinc/80/78/25/402807825.db2.gz BIWUTPFHVBIKNM-ZDUSSCGKSA-N 0 0 319.430 2.409 10 30 DEEERN CCCC(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(C#N)cc2)C1 ZINC000195405227 402844634 /nfs/dbraw/zinc/84/46/34/402844634.db2.gz MUUIALNMYUXMHP-MRXNPFEDSA-N 0 0 313.401 2.008 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000184137423 402821544 /nfs/dbraw/zinc/82/15/44/402821544.db2.gz SYUKDCJHIHZHQJ-GDBMZVCRSA-N 0 0 320.389 2.303 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000175668361 402824318 /nfs/dbraw/zinc/82/43/18/402824318.db2.gz XWGAYDDCRKSJDX-UHFFFAOYSA-N 0 0 319.368 2.072 10 30 DEEERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCC(C#N)CC2)C1 ZINC000175793427 402832962 /nfs/dbraw/zinc/83/29/62/402832962.db2.gz CKRARLFCXWWELQ-UONOGXRCSA-N 0 0 321.421 2.442 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000278141265 402859071 /nfs/dbraw/zinc/85/90/71/402859071.db2.gz AOSYKAHUDRYZKF-ZFWWWQNUSA-N 0 0 304.438 2.416 10 30 DEEERN C=C(Cl)CNC(=O)C(=O)Nc1cc(F)ccc1OC(C)C ZINC000265615033 402934025 /nfs/dbraw/zinc/93/40/25/402934025.db2.gz DJOWODLASWSECD-UHFFFAOYSA-N 0 0 314.744 2.420 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCc1c[nH]c2cc(C)ccc12 ZINC000273394277 403000808 /nfs/dbraw/zinc/00/08/08/403000808.db2.gz AACULHOCNHDADW-CQSZACIVSA-N 0 0 301.390 2.255 10 30 DEEERN C#CCCN1CCN(C(=O)/C(C)=C/c2ccc(F)cc2)CC1 ZINC000267290270 403033444 /nfs/dbraw/zinc/03/34/44/403033444.db2.gz ZIXXHVDCQIECAN-CCEZHUSRSA-N 0 0 300.377 2.397 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)C(C)(C)c2ccccc2F)C1=O ZINC000280992677 403056474 /nfs/dbraw/zinc/05/64/74/403056474.db2.gz APOMESWRAQMWJP-OAHLLOKOSA-N 0 0 318.392 2.349 10 30 DEEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000281319137 403064071 /nfs/dbraw/zinc/06/40/71/403064071.db2.gz AVUQEBVMUWWVSW-WCQYABFASA-N 0 0 304.394 2.264 10 30 DEEERN CC#CCNC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000281722715 403085503 /nfs/dbraw/zinc/08/55/03/403085503.db2.gz AECQPRQAJUKEDB-AWEZNQCLSA-N 0 0 300.406 2.132 10 30 DEEERN C=CCCCN1C(=O)N[C@@]2(CCc3ccc(OC)cc32)C1=O ZINC000269395853 403136042 /nfs/dbraw/zinc/13/60/42/403136042.db2.gz YFSSZOBOBLHSPX-QGZVFWFLSA-N 0 0 300.358 2.355 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC000282276081 403138859 /nfs/dbraw/zinc/13/88/59/403138859.db2.gz MMQQLYUGXWIYEV-CYBMUJFWSA-N 0 0 306.410 2.052 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CSC2(C)C)c1 ZINC000282712366 403158724 /nfs/dbraw/zinc/15/87/24/403158724.db2.gz BGWSSEXGAAWNDH-ZDUSSCGKSA-N 0 0 320.414 2.200 10 30 DEEERN C=CCCCN(C)c1nnc([C@H]2COCCO2)n1CC(=C)C ZINC000283494850 403201734 /nfs/dbraw/zinc/20/17/34/403201734.db2.gz DFGZPGDBOHHWLL-CQSZACIVSA-N 0 0 306.410 2.345 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000277573885 403232395 /nfs/dbraw/zinc/23/23/95/403232395.db2.gz YHSLXMQBMHPQAM-UHFFFAOYSA-N 0 0 323.371 2.009 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCc1ccccc1Cl ZINC000283935378 403233343 /nfs/dbraw/zinc/23/33/43/403233343.db2.gz KHSXKIHLFPLAKW-UHFFFAOYSA-N 0 0 308.809 2.423 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)Cc1cscc1Br ZINC000345358183 403299437 /nfs/dbraw/zinc/29/94/37/403299437.db2.gz XRBMEASTPZCHPW-SECBINFHSA-N 0 0 318.236 2.354 10 30 DEEERN C#CCC(CC#C)C(=O)N(CC(=O)OCC)Cc1ccccc1 ZINC000277859930 403264985 /nfs/dbraw/zinc/26/49/85/403264985.db2.gz ZEBSGVGNYDEKRH-UHFFFAOYSA-N 0 0 311.381 2.241 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000297924004 403287246 /nfs/dbraw/zinc/28/72/46/403287246.db2.gz CCSFNONKAFKOMK-UHFFFAOYSA-N 0 0 309.797 2.118 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1cn(CCCC)nc1C ZINC000345424188 403328329 /nfs/dbraw/zinc/32/83/29/403328329.db2.gz YJFOMHHBWCCHET-UHFFFAOYSA-N 0 0 320.437 2.032 10 30 DEEERN C=CCN(CCC#N)C(=O)CN1c2ccccc2SCC1=O ZINC000292232889 403328871 /nfs/dbraw/zinc/32/88/71/403328871.db2.gz CZBGFIVXLURNGS-UHFFFAOYSA-N 0 0 315.398 2.054 10 30 DEEERN C=C(CNC(=O)[C@H]1CCCN1C(=O)C(C)C)c1ccccc1 ZINC000345630153 403411597 /nfs/dbraw/zinc/41/15/97/403411597.db2.gz YPRHIWQOTVMZJN-MRXNPFEDSA-N 0 0 300.402 2.463 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000286831897 403546860 /nfs/dbraw/zinc/54/68/60/403546860.db2.gz XGORTYBGMXXIPS-RISCZKNCSA-N 0 0 308.809 2.455 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)OC)n1C ZINC000293567536 403506742 /nfs/dbraw/zinc/50/67/42/403506742.db2.gz GSFQMWFIOXRCCD-HNNXBMFYSA-N 0 0 324.380 2.176 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000343261858 403516760 /nfs/dbraw/zinc/51/67/60/403516760.db2.gz TWOMKXTWGFJMFQ-CYBMUJFWSA-N 0 0 313.401 2.337 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(C)=O ZINC000287185259 403556368 /nfs/dbraw/zinc/55/63/68/403556368.db2.gz HMQCZDMQCLPIDC-MSOLQXFVSA-N 0 0 314.429 2.288 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)o1 ZINC000286412194 403520778 /nfs/dbraw/zinc/52/07/78/403520778.db2.gz FZXKZOOHYDFGOY-QMMMGPOBSA-N 0 0 308.281 2.114 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000346414993 403589497 /nfs/dbraw/zinc/58/94/97/403589497.db2.gz AGFLQPXFNMTOMM-XHSDSOJGSA-N 0 0 304.390 2.000 10 30 DEEERN C=CC[C@H](CC)NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000346444378 403590816 /nfs/dbraw/zinc/59/08/16/403590816.db2.gz WZXXZBJTPNCBBN-DZGCQCFKSA-N 0 0 316.405 2.231 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@@H](CC(C)C)c1cccs1 ZINC000346862065 403605566 /nfs/dbraw/zinc/60/55/66/403605566.db2.gz ZWPGKCQKHTWJIG-LBPRGKRZSA-N 0 0 309.435 2.437 10 30 DEEERN C=CCCCN(C)C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000346802669 403603220 /nfs/dbraw/zinc/60/32/20/403603220.db2.gz UIEUIXNWBGNWOI-AWEZNQCLSA-N 0 0 316.401 2.473 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000287241523 403557956 /nfs/dbraw/zinc/55/79/56/403557956.db2.gz BXRQYOVESJFJMI-INIZCTEOSA-N 0 0 323.314 2.216 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCCCCNC(C)=O ZINC000287357487 403582041 /nfs/dbraw/zinc/58/20/41/403582041.db2.gz PQTBPJMINPGAHL-SFHVURJKSA-N 0 0 314.429 2.434 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1c1nc(CCCn2ccccc2=O)no1 ZINC000346289408 403583150 /nfs/dbraw/zinc/58/31/50/403583150.db2.gz ALZBJDSISKGIFF-CZUORRHYSA-N 0 0 315.373 2.313 10 30 DEEERN C=CCNC(=O)Cc1noc(Cc2c(Cl)cccc2OC)n1 ZINC000346973182 403609650 /nfs/dbraw/zinc/60/96/50/403609650.db2.gz RVUOVCYCLUDCCE-UHFFFAOYSA-N 0 0 321.764 2.167 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000287733924 403657112 /nfs/dbraw/zinc/65/71/12/403657112.db2.gz HOMDICPJFHCWJK-OAHLLOKOSA-N 0 0 303.402 2.230 10 30 DEEERN CCC(=O)N[C@@H]1CCCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000301900264 403698885 /nfs/dbraw/zinc/69/88/85/403698885.db2.gz UMPXAHJJKPBAMN-OAHLLOKOSA-N 0 0 312.417 2.327 10 30 DEEERN N#Cc1ccc(NC[C@H](CO)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC000301571796 403649703 /nfs/dbraw/zinc/64/97/03/403649703.db2.gz RLEVLMXMTVGMFY-CYBMUJFWSA-N 0 0 312.329 2.125 10 30 DEEERN COC[C@@H]1C[C@@H](OC)CN1c1nc(C(F)(F)F)ccc1C#N ZINC000343735945 403712200 /nfs/dbraw/zinc/71/22/00/403712200.db2.gz GVFZHCIBFOXTJH-WDEREUQCSA-N 0 0 315.295 2.212 10 30 DEEERN COc1ccc(OCCNc2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000302748176 403720928 /nfs/dbraw/zinc/72/09/28/403720928.db2.gz UFLULGVFMNMPTR-UHFFFAOYSA-N 0 0 314.301 2.361 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](CC)CCO ZINC000288121022 403729016 /nfs/dbraw/zinc/72/90/16/403729016.db2.gz KBJVUWLRSGBQEG-NVXWUHKLSA-N 0 0 302.418 2.329 10 30 DEEERN C#CCC(CC#C)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000288374465 403747979 /nfs/dbraw/zinc/74/79/79/403747979.db2.gz XQPOWOQRWNARGB-MRXNPFEDSA-N 0 0 323.440 2.386 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cn(C)c(=O)cc1C ZINC000288974295 403802563 /nfs/dbraw/zinc/80/25/63/403802563.db2.gz CXLVBVZOLANCLM-INIZCTEOSA-N 0 0 323.396 2.450 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cnc(C)nc1C1CC1 ZINC000411469314 403865470 /nfs/dbraw/zinc/86/54/70/403865470.db2.gz AIULAVNFJJPAHX-ZDUSSCGKSA-N 0 0 314.389 2.168 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N1CC[C@H](O)C1(C)C ZINC000361871915 403906952 /nfs/dbraw/zinc/90/69/52/403906952.db2.gz OUJYFIKXWAPZJO-HNNXBMFYSA-N 0 0 316.401 2.116 10 30 DEEERN N#Cc1cnc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000310279906 403965844 /nfs/dbraw/zinc/96/58/44/403965844.db2.gz KREBXTPOYRPYLW-UHFFFAOYSA-N 0 0 323.356 2.184 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc(CC)c(C(=O)OC)s1 ZINC000362795895 403988763 /nfs/dbraw/zinc/98/87/63/403988763.db2.gz RXABUUJEHBHWSB-ONGXEEELSA-N 0 0 324.402 2.412 10 30 DEEERN C[C@@H](C#N)CN(C)C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000362816960 403990914 /nfs/dbraw/zinc/99/09/14/403990914.db2.gz GZMYOPQTQBKPTG-QWHCGFSZSA-N 0 0 303.362 2.018 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N(CCC)CC1CC1 ZINC000289705382 403993725 /nfs/dbraw/zinc/99/37/25/403993725.db2.gz OPINJRQSIJIDHJ-AWEZNQCLSA-N 0 0 306.410 2.178 10 30 DEEERN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCOC[C@@H]1C ZINC000296108493 404098441 /nfs/dbraw/zinc/09/84/41/404098441.db2.gz VRXPGPWNXDYXRF-KBPBESRZSA-N 0 0 306.410 2.321 10 30 DEEERN C=CCc1cc(CN2C(=O)N[C@H](CC)C2=O)cc(OC)c1OC ZINC000348429699 404068000 /nfs/dbraw/zinc/06/80/00/404068000.db2.gz SHAIWTWKZZNWQX-CYBMUJFWSA-N 0 0 318.373 2.263 10 30 DEEERN C=CCOC[C@H]1NC(=O)N([C@@H](C)c2ccc(OC)c(F)c2)C1=O ZINC000348490613 404072870 /nfs/dbraw/zinc/07/28/70/404072870.db2.gz HSVYIFTZTLZCNT-GXFFZTMASA-N 0 0 322.336 2.018 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)c3csnc3C)C2)n1 ZINC000328612758 404113631 /nfs/dbraw/zinc/11/36/31/404113631.db2.gz PSKSLRXQIOUJPP-NSHDSACASA-N 0 0 319.390 2.343 10 30 DEEERN CC[C@H](SC)C(=O)N1CC[C@@H](n2ccc(NC(C)=O)n2)C1 ZINC000328612075 404113831 /nfs/dbraw/zinc/11/38/31/404113831.db2.gz NWFYRIIESXPBFF-NEPJUHHUSA-N 0 0 310.423 2.406 10 30 DEEERN C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328624422 404116744 /nfs/dbraw/zinc/11/67/44/404116744.db2.gz JWCLREYUKKCGEG-LCGIIJARSA-N 0 0 304.390 2.445 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C([O-])=[NH+]Cc3ccco3)C2)n1 ZINC000328629558 404119552 /nfs/dbraw/zinc/11/95/52/404119552.db2.gz OYZDXBZDUHBHQR-LBPRGKRZSA-N 0 0 317.349 2.445 10 30 DEEERN CO[C@@H]1CCCN(C(=O)NC[C@@H]2CCCn3cc(C)nc32)C1 ZINC000328658115 404126590 /nfs/dbraw/zinc/12/65/90/404126590.db2.gz QLLYYBSVYNQZGN-UONOGXRCSA-N 0 0 306.410 2.094 10 30 DEEERN Cc1cc([C@@H](C)NC(=O)N2C[C@@H]3COC[C@H](C2)O3)ccc1F ZINC000328743737 404142403 /nfs/dbraw/zinc/14/24/03/404142403.db2.gz ONEZCCDDGPCGCD-BNOWGMLFSA-N 0 0 308.353 2.209 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCO[C@H](C)[C@H]1C)CCC2 ZINC000328728254 404138736 /nfs/dbraw/zinc/13/87/36/404138736.db2.gz VMCDVYLVDQXXQV-MCIONIFRSA-N 0 0 306.410 2.092 10 30 DEEERN C=CCN1C(=O)N(c2nncs2)C(=O)[C@H]1Cc1ccccc1 ZINC000349257800 404140651 /nfs/dbraw/zinc/14/06/51/404140651.db2.gz WJORLQQTCNWLAN-GFCCVEGCSA-N 0 0 314.370 2.104 10 30 DEEERN O=C(N[C@@H]1CCCC12CCOCC2)N1CCO[C@@H](C2CC2)C1 ZINC000328808980 404154458 /nfs/dbraw/zinc/15/44/58/404154458.db2.gz MJQRZQRQCKEEMH-HUUCEWRRSA-N 0 0 308.422 2.361 10 30 DEEERN C=CCN(C(=O)[C@H](C)OCC)c1nc(C(=O)OCC)cs1 ZINC000355106629 404221532 /nfs/dbraw/zinc/22/15/32/404221532.db2.gz ZTKYKYRDVUNNGT-JTQLQIEISA-N 0 0 312.391 2.264 10 30 DEEERN Cc1ccc([C@H]2CCCN2S(=O)(=O)N(C)[C@@H](C)CC#N)o1 ZINC000363469690 404162535 /nfs/dbraw/zinc/16/25/35/404162535.db2.gz DEQPDLYPHXYVTK-WCQYABFASA-N 0 0 311.407 2.204 10 30 DEEERN CO[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)CC[C@@H]1C ZINC000328866142 404165899 /nfs/dbraw/zinc/16/58/99/404165899.db2.gz GOVXRLXWVMHCTM-XTWPYSKKSA-N 0 0 309.410 2.155 10 30 DEEERN CCC[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc(C)nc32)CCO1 ZINC000328899055 404170122 /nfs/dbraw/zinc/17/01/22/404170122.db2.gz YOHBAOLDZDPDTL-LSDHHAIUSA-N 0 0 320.437 2.484 10 30 DEEERN N#C[C@@H]1CN(C(=O)NCc2cc3ccccc3o2)CCN1C1CC1 ZINC000363519921 404172912 /nfs/dbraw/zinc/17/29/12/404172912.db2.gz MQMILRKMOGLAJG-OAHLLOKOSA-N 0 0 324.384 2.315 10 30 DEEERN CCC[C@@H]1C[C@@H]1NC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000329138290 404242007 /nfs/dbraw/zinc/24/20/07/404242007.db2.gz RWSMMRIHIXGWIL-RQJABVFESA-N 0 0 308.426 2.170 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000363900004 404245174 /nfs/dbraw/zinc/24/51/74/404245174.db2.gz KCCMDVGALOMEMW-UHFFFAOYSA-N 0 0 311.341 2.036 10 30 DEEERN Cn1nccc1[C@H]1[C@H](CNC(=O)[C@]2(C)CCOC2)CCC[N@@H+]1C ZINC000329166817 404251311 /nfs/dbraw/zinc/25/13/11/404251311.db2.gz HZAKLLUQTPNJKI-YSVLISHTSA-N 0 0 320.437 2.186 10 30 DEEERN CCc1noc([C@]2(O)CCN(c3cc(Cl)ccc3C#N)C2)n1 ZINC000370122611 404341154 /nfs/dbraw/zinc/34/11/54/404341154.db2.gz OHEKJQIWCRDKGY-HNNXBMFYSA-N 0 0 318.764 2.255 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CCC3(CC2)OCCCO3)cc1 ZINC000296853828 404343392 /nfs/dbraw/zinc/34/33/92/404343392.db2.gz LOXWYFIGLKRLDL-UHFFFAOYSA-N 0 0 314.385 2.107 10 30 DEEERN CC(=O)NC[C@@H]1CCCN(C(=O)C[C@H]2CCCCNC2=O)C1 ZINC000329315991 404300035 /nfs/dbraw/zinc/30/00/35/404300035.db2.gz BEBMSPCNWGUJPC-UONOGXRCSA-N 0 0 309.410 2.348 10 30 DEEERN CC(=O)NC1CCC(NC(=O)N2CCO[C@H](C3CC3)C2)CC1 ZINC000329699620 404428062 /nfs/dbraw/zinc/42/80/62/404428062.db2.gz GEAQEXJNZYLUEO-NRXISQOPSA-N 0 0 309.410 2.299 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CCN(c2ccccc2)C[C@@H]1CC ZINC000355804000 404368388 /nfs/dbraw/zinc/36/83/88/404368388.db2.gz BIRYUTVXYMRZKW-MAUKXSAKSA-N 0 0 302.418 2.441 10 30 DEEERN CCC(=O)N1CC[C@H](NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)C1 ZINC000329642354 404406469 /nfs/dbraw/zinc/40/64/69/404406469.db2.gz HYIZNWNZGWIHKO-ZFWWWQNUSA-N 0 0 305.422 2.176 10 30 DEEERN O=C(NCc1noc2c1CCCC2)N1CCO[C@@H](C2CC2)C1 ZINC000329715059 404430989 /nfs/dbraw/zinc/43/09/89/404430989.db2.gz UJJIMYSEEQOIES-OAHLLOKOSA-N 0 0 305.378 2.078 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1C[C@H](C(N)=O)CC[C@H]1C ZINC000351075724 404511041 /nfs/dbraw/zinc/51/10/41/404511041.db2.gz QMEKLEQIDKMGTG-ZIAGYGMSSA-N 0 0 319.453 2.143 10 30 DEEERN C=CCn1c([C@@H](C)CC)nnc1N(CC)Cc1cn(C)nn1 ZINC000350730749 404453136 /nfs/dbraw/zinc/45/31/36/404453136.db2.gz VIYCRILMYFULHX-LBPRGKRZSA-N 0 0 303.414 2.133 10 30 DEEERN C=C[C@H](C)NC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000342243196 404464259 /nfs/dbraw/zinc/46/42/59/404464259.db2.gz ZJAVRFLWCLKWBX-YDHLFZDLSA-N 0 0 301.390 2.050 10 30 DEEERN Cc1nc([C@H]2CN(Cc3cn4ccccc4c3C#N)CCO2)no1 ZINC000373771411 404585854 /nfs/dbraw/zinc/58/58/54/404585854.db2.gz OYXZGNVMUZFMSB-MRXNPFEDSA-N 0 0 323.356 2.076 10 30 DEEERN C=CCOc1ccccc1CN1C[C@H](C)S(=O)(=O)[C@@H](C)C1 ZINC000356524358 404571481 /nfs/dbraw/zinc/57/14/81/404571481.db2.gz KUTKSVJALCBOFJ-KBPBESRZSA-N 0 0 309.431 2.259 10 30 DEEERN C=CCOc1ccc(CN2C[C@H](C)S(=O)(=O)[C@@H](C)C2)cc1 ZINC000356526428 404572420 /nfs/dbraw/zinc/57/24/20/404572420.db2.gz NLEXCXMKKJSMJI-KBPBESRZSA-N 0 0 309.431 2.259 10 30 DEEERN C=CCCCNC(=O)C(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000342476342 404602581 /nfs/dbraw/zinc/60/25/81/404602581.db2.gz HFCFEOYCRXLWNU-HNNXBMFYSA-N 0 0 302.418 2.467 10 30 DEEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)NCc2ncoc2C)cn1 ZINC000330336029 404630861 /nfs/dbraw/zinc/63/08/61/404630861.db2.gz SALPEQLYIXXKFZ-GXTWGEPZSA-N 0 0 304.350 2.434 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1nnc(-c2ccccc2)s1 ZINC000365463304 404666974 /nfs/dbraw/zinc/66/69/74/404666974.db2.gz LXGPEZWGLPPTFE-UHFFFAOYSA-N 0 0 309.394 2.484 10 30 DEEERN C=CCN1CC[C@H](Nc2ccc(F)c(C(=O)OC)c2C)C1=O ZINC000357183272 404730365 /nfs/dbraw/zinc/73/03/65/404730365.db2.gz AFDVZYOMCONACL-ZDUSSCGKSA-N 0 0 306.337 2.120 10 30 DEEERN C=C[C@](C)(CC)C(=O)N1CCC(COC)(C(=O)OCC)CC1 ZINC000358299264 404758775 /nfs/dbraw/zinc/75/87/75/404758775.db2.gz WDGULBPEUQYXAE-MRXNPFEDSA-N 0 0 311.422 2.407 10 30 DEEERN C=C(CC)CN1C(=O)N[C@@]2(CCc3ccc(OC)cc32)C1=O ZINC000358555575 404766392 /nfs/dbraw/zinc/76/63/92/404766392.db2.gz NBMDOXYHOKJBCA-QGZVFWFLSA-N 0 0 300.358 2.355 10 30 DEEERN CC[C@H](OC1CCCCC1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000366184594 404768830 /nfs/dbraw/zinc/76/88/30/404768830.db2.gz VVRMWZCURTYAMN-WBVHZDCISA-N 0 0 319.449 2.313 10 30 DEEERN COCCOc1cccc(CC(=O)N2CCC(C)(C#N)CC2)c1 ZINC000356974760 404722642 /nfs/dbraw/zinc/72/26/42/404722642.db2.gz NLIFJGVBGFGCDD-UHFFFAOYSA-N 0 0 316.401 2.407 10 30 DEEERN C=C(C)Cn1c(N2C[C@@H](C(N)=O)CC[C@@H]2C)nnc1C(C)(C)C ZINC000358801291 404776267 /nfs/dbraw/zinc/77/62/67/404776267.db2.gz CHHBKZPOECPRNS-STQMWFEESA-N 0 0 319.453 2.242 10 30 DEEERN C=CCOc1cccc(NC(=O)N(CC)Cc2cn(C)nn2)c1 ZINC000359349398 404790264 /nfs/dbraw/zinc/79/02/64/404790264.db2.gz VYPQYCVGKUIGQT-UHFFFAOYSA-N 0 0 315.377 2.434 10 30 DEEERN N#C[C@@H]1CN(CCCc2ccc3c(c2)CCO3)CCN1C1CC1 ZINC000366460776 404795407 /nfs/dbraw/zinc/79/54/07/404795407.db2.gz JJSFOBYXTZVZFS-GOSISDBHSA-N 0 0 311.429 2.226 10 30 DEEERN COC(=O)[C@@H](C1CC1)N1CCCN(c2ccccc2C#N)CC1 ZINC000359613485 404798391 /nfs/dbraw/zinc/79/83/91/404798391.db2.gz VSKJZJVSMAGETL-QGZVFWFLSA-N 0 0 313.401 2.022 10 30 DEEERN CCOCc1nc([C@H](C)NC(=O)NCC(C)(C)CCC#N)no1 ZINC000359739983 404803573 /nfs/dbraw/zinc/80/35/73/404803573.db2.gz OYONVIYWCNEXLY-NSHDSACASA-N 0 0 323.397 2.296 10 30 DEEERN CC1(C)CN(Cc2ccc(F)cc2C#N)C[C@]2(CCOC2)O1 ZINC000376129698 404806320 /nfs/dbraw/zinc/80/63/20/404806320.db2.gz ICAJQJMLPUCPJC-KRWDZBQOSA-N 0 0 304.365 2.467 10 30 DEEERN C=CC[C@H](C)NC(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000360467434 404828965 /nfs/dbraw/zinc/82/89/65/404828965.db2.gz FVTMDSDQIUVPEI-HOCLYGCPSA-N 0 0 304.390 2.440 10 30 DEEERN C#CCC(C)(C)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000366952169 404878668 /nfs/dbraw/zinc/87/86/68/404878668.db2.gz LQRNXRUPFKDGIK-GOEBONIOSA-N 0 0 312.413 2.342 10 30 DEEERN C=C(CNC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000353505527 404851406 /nfs/dbraw/zinc/85/14/06/404851406.db2.gz HDELLYYAFKYHBG-LSDHHAIUSA-N 0 0 301.390 2.043 10 30 DEEERN C=CCOC[C@H](NC(=O)c1c(C)oc2ccccc21)C(=O)OC ZINC000435142167 404959125 /nfs/dbraw/zinc/95/91/25/404959125.db2.gz FGUYCBZJDGAQJK-ZDUSSCGKSA-N 0 0 317.341 2.215 10 30 DEEERN N#Cc1ccnc(NC(=O)c2cccc(OCC(F)F)n2)c1 ZINC000436020349 405037022 /nfs/dbraw/zinc/03/70/22/405037022.db2.gz ZKWQDGLWJFRREF-UHFFFAOYSA-N 0 0 304.256 2.244 10 30 DEEERN C=CCNC(=O)NC(=O)CN1CCCC[C@H]1c1ccc(F)cc1 ZINC000361350105 405033713 /nfs/dbraw/zinc/03/37/13/405033713.db2.gz BYZAAIRTISXOAS-HNNXBMFYSA-N 0 0 319.380 2.365 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCN(c2ccccc2)C[C@@H]1CC ZINC000435440507 404981453 /nfs/dbraw/zinc/98/14/53/404981453.db2.gz XHUIOEQMXUOMKA-HNNXBMFYSA-N 0 0 308.447 2.493 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1cccc(N(C)C)c1 ZINC000435601468 404994475 /nfs/dbraw/zinc/99/44/75/404994475.db2.gz MVNCXAWFBLZLDB-XJKSGUPXSA-N 0 0 324.446 2.012 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1nc(COC)cs1 ZINC000436387134 405076767 /nfs/dbraw/zinc/07/67/67/405076767.db2.gz QCACVHJWRMRKCH-ZYHUDNBSSA-N 0 0 311.407 2.392 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1ccc2c(c1O)OC(C)(C)C2 ZINC000436618566 405110154 /nfs/dbraw/zinc/11/01/54/405110154.db2.gz SHMZDUCDVRYDII-NSHDSACASA-N 0 0 305.374 2.020 10 30 DEEERN C[C@H]1CCOCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000367661515 405117474 /nfs/dbraw/zinc/11/74/74/405117474.db2.gz LLCMFCJIRRQGQV-HNNXBMFYSA-N 0 0 301.390 2.044 10 30 DEEERN C=CCC1(C(=O)N(CCO)Cc2ccccc2)CCOCC1 ZINC000424568343 405117774 /nfs/dbraw/zinc/11/77/74/405117774.db2.gz BPCOTUAFRCRHAA-UHFFFAOYSA-N 0 0 303.402 2.380 10 30 DEEERN C=CCC1(C(=O)NCc2ccc(NC(N)=O)cc2)CCOCC1 ZINC000424565102 405118001 /nfs/dbraw/zinc/11/80/01/405118001.db2.gz OUQDMBZMBOFCMR-UHFFFAOYSA-N 0 0 317.389 2.166 10 30 DEEERN C=CCC1(C(=O)Nc2ccc(CC(N)=O)cc2)CCOCC1 ZINC000424581753 405121858 /nfs/dbraw/zinc/12/18/58/405121858.db2.gz HICFBEDRSMBTKZ-UHFFFAOYSA-N 0 0 302.374 2.026 10 30 DEEERN C=CCC1(C(=O)NCc2cccnc2N(C)C)CCOCC1 ZINC000424584851 405123075 /nfs/dbraw/zinc/12/30/75/405123075.db2.gz OPTIVDKWPJXASH-UHFFFAOYSA-N 0 0 303.406 2.137 10 30 DEEERN CCOC(=O)c1cc(NC(=O)c2ccc(C#N)o2)ccc1O ZINC000436801304 405141965 /nfs/dbraw/zinc/14/19/65/405141965.db2.gz AUEFVWJTYYTXRM-UHFFFAOYSA-N 0 0 300.270 2.286 10 30 DEEERN C[C@@H]1[C@H](C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1(F)F ZINC000408230478 405146800 /nfs/dbraw/zinc/14/68/00/405146800.db2.gz BGZRGBVINUTOIC-LERXQTSPSA-N 0 0 306.312 2.359 10 30 DEEERN C=CCC1(C(=O)Nc2cc(Cl)c(=O)n(C)c2)CCOCC1 ZINC000424730393 405162367 /nfs/dbraw/zinc/16/23/67/405162367.db2.gz NLMRITOZLQUYJE-UHFFFAOYSA-N 0 0 310.781 2.350 10 30 DEEERN C=CCC1(C(=O)N(C)Cc2nncn2C(C)C)CCOCC1 ZINC000424856482 405198070 /nfs/dbraw/zinc/19/80/70/405198070.db2.gz ZSCKZHFLJJCADE-UHFFFAOYSA-N 0 0 306.410 2.190 10 30 DEEERN C=CCC1(C(=O)Nc2cc(C)cc(C(N)=O)c2)CCOCC1 ZINC000424877361 405202698 /nfs/dbraw/zinc/20/26/98/405202698.db2.gz RQVVSUSTXMDPGB-UHFFFAOYSA-N 0 0 302.374 2.405 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000437512180 405202828 /nfs/dbraw/zinc/20/28/28/405202828.db2.gz BYVLJVFDLYXTCB-UNEWFSDZSA-N 0 0 314.385 2.423 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Br)co1 ZINC000424905096 405209572 /nfs/dbraw/zinc/20/95/72/405209572.db2.gz BKJWWRMDEDJYFC-WPRPVWTQSA-N 0 0 300.152 2.363 10 30 DEEERN C=C(C)CCN1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000367847181 405172381 /nfs/dbraw/zinc/17/23/81/405172381.db2.gz HUCNPIAFWHCEHB-CABCVRRESA-N 0 0 300.402 2.462 10 30 DEEERN C=CCCCNC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000437876598 405223159 /nfs/dbraw/zinc/22/31/59/405223159.db2.gz WAJZCGLWGFWUOO-CABCVRRESA-N 0 0 307.438 2.433 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)N(C)c1ccccc1 ZINC000425453342 405293134 /nfs/dbraw/zinc/29/31/34/405293134.db2.gz PSUAOZAKYQSHLH-VYDXJSESSA-N 0 0 317.433 2.402 10 30 DEEERN C=CCC1(C(=O)Nc2nc3ccc(F)cn3n2)CCOCC1 ZINC000425517735 405299472 /nfs/dbraw/zinc/29/94/72/405299472.db2.gz QDBQVCOPTPNWHM-UHFFFAOYSA-N 0 0 304.325 2.180 10 30 DEEERN CN(C(=O)C(=O)c1cnn(C(C)(C)C)c1)c1ccc(C#N)cc1 ZINC000440060927 405300947 /nfs/dbraw/zinc/30/09/47/405300947.db2.gz IXKIJTIVGILUAU-UHFFFAOYSA-N 0 0 310.357 2.355 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000448689015 405437005 /nfs/dbraw/zinc/43/70/05/405437005.db2.gz DUAXYUZLJAFPMC-AWEZNQCLSA-N 0 0 308.385 2.153 10 30 DEEERN C=C(C)CCNC(=O)Cc1nnc(-c2ccccc2OC)o1 ZINC000633306264 405561826 /nfs/dbraw/zinc/56/18/26/405561826.db2.gz IUFPPYYSPIZPIL-UHFFFAOYSA-N 0 0 301.346 2.370 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000635796511 405513093 /nfs/dbraw/zinc/51/30/93/405513093.db2.gz MDHVOILTZUGBLA-LURJTMIESA-N 0 0 307.152 2.382 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1cnc2onc(C(C)C)c2c1 ZINC000456757455 405552027 /nfs/dbraw/zinc/55/20/27/405552027.db2.gz OAOQGRJKCHHIJN-GFCCVEGCSA-N 0 0 303.362 2.403 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000580188890 405604523 /nfs/dbraw/zinc/60/45/23/405604523.db2.gz YEPZSHVMUWRQPW-AJNGGQMLSA-N 0 0 310.438 2.016 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000580454858 405621498 /nfs/dbraw/zinc/62/14/98/405621498.db2.gz GQMGEKMJIORCSB-CQSZACIVSA-N 0 0 319.453 2.158 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCS(=O)(=O)CC[C@@H]1C ZINC000633411027 405628640 /nfs/dbraw/zinc/62/86/40/405628640.db2.gz HOZCQMAKKOMJCB-ZDUSSCGKSA-N 0 0 316.467 2.197 10 30 DEEERN C=CCN(CC=C)C(=O)N[C@H](CC(=O)NC)c1ccccc1 ZINC000431098232 405578341 /nfs/dbraw/zinc/57/83/41/405578341.db2.gz GEXYMIZICDBSIA-OAHLLOKOSA-N 0 0 301.390 2.247 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000458788284 405593267 /nfs/dbraw/zinc/59/32/67/405593267.db2.gz ZVKTUFSINLGREO-WFASDCNBSA-N 0 0 322.380 2.448 10 30 DEEERN C[C@@H](C(=O)N[C@@](C)(Cc1ccccc1)C1CC1)n1cnc(C#N)n1 ZINC000457011234 405654926 /nfs/dbraw/zinc/65/49/26/405654926.db2.gz HFQCUUNLEFIVQF-UGSOOPFHSA-N 0 0 323.400 2.238 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc2c1CC(=O)CC2 ZINC000558571175 405672658 /nfs/dbraw/zinc/67/26/58/405672658.db2.gz IVJMFJMOSMDIMU-KSSFIOAISA-N 0 0 313.397 2.455 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCc2[nH]cnc2[C@@H]1c1ccnn1C ZINC000633529670 405698967 /nfs/dbraw/zinc/69/89/67/405698967.db2.gz KXDJCZFGBINHDF-WBMJQRKESA-N 0 0 313.405 2.220 10 30 DEEERN C=C1CC(C)(C(=O)N2CCC(C3N=NC(=O)N3CC)CC2)C1 ZINC000633526246 405696291 /nfs/dbraw/zinc/69/62/91/405696291.db2.gz WWAXBMSALSORLW-UHFFFAOYSA-N 0 0 304.394 2.066 10 30 DEEERN C=C(CC)CNC(=O)NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000459093847 405742617 /nfs/dbraw/zinc/74/26/17/405742617.db2.gz OMHIIVYEBUCUOG-CYBMUJFWSA-N 0 0 312.360 2.381 10 30 DEEERN C=CCN(C(=O)c1cc(N2CCCCC2)ncn1)[C@H](C)COC ZINC000633613106 405745585 /nfs/dbraw/zinc/74/55/85/405745585.db2.gz WSPMYULXFVAEIL-CQSZACIVSA-N 0 0 318.421 2.130 10 30 DEEERN COCCN(Cc1ccc(C)o1)C(=O)c1ccc(C#N)n1C ZINC000450128114 405749995 /nfs/dbraw/zinc/74/99/95/405749995.db2.gz ULGZORQGQHXMCW-UHFFFAOYSA-N 0 0 301.346 2.087 10 30 DEEERN C=CCOCCCNC(=O)c1c(F)cncc1Br ZINC000633628855 405754287 /nfs/dbraw/zinc/75/42/87/405754287.db2.gz XBDVKNGTDUFAPM-UHFFFAOYSA-N 0 0 317.158 2.306 10 30 DEEERN Cc1ccc(C)c(N2CCN(C(=O)c3ccc(C#N)n3C)CC2)c1 ZINC000450142121 405754765 /nfs/dbraw/zinc/75/47/65/405754765.db2.gz AYWPERKVUMYTLY-UHFFFAOYSA-N 0 0 322.412 2.476 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CN1C(=O)[C@H]2c3ccoc3CCN2C1=O ZINC000530198271 405775699 /nfs/dbraw/zinc/77/56/99/405775699.db2.gz CQMCRXAIHXJQSL-GLQYFDAESA-N 0 0 316.357 2.122 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000584109313 405828268 /nfs/dbraw/zinc/82/82/68/405828268.db2.gz LOCMMLWWEUARGW-GWCFXTLKSA-N 0 0 324.377 2.176 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCc2ccc(C(C)=O)cc2CC1 ZINC000450237050 405791089 /nfs/dbraw/zinc/79/10/89/405791089.db2.gz ITMQQLPNZUGYNU-MSOLQXFVSA-N 0 0 313.397 2.408 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000450179161 405769167 /nfs/dbraw/zinc/76/91/67/405769167.db2.gz VRAFIGUWXFBHIS-PWXKEOIMSA-N 0 0 301.386 2.428 10 30 DEEERN C=CCOCC(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000633784231 405833727 /nfs/dbraw/zinc/83/37/27/405833727.db2.gz XOXNNVOIEIQRRW-BYCMXARLSA-N 0 0 322.202 2.406 10 30 DEEERN C=CC[C@H](CO)Nc1ccc(I)cn1 ZINC000450438373 405897546 /nfs/dbraw/zinc/89/75/46/405897546.db2.gz KBODLIXVFKXAHG-SECBINFHSA-N 0 0 304.131 2.035 10 30 DEEERN C=CCCC(C)(C)CNC(=O)CNC(=O)Cc1ccccc1 ZINC000633963754 405933397 /nfs/dbraw/zinc/93/33/97/405933397.db2.gz RZMQMJFIBPATCJ-UHFFFAOYSA-N 0 0 302.418 2.454 10 30 DEEERN C=CCN(Cc1ccccc1)S(=O)(=O)c1cncn1CC ZINC000433628429 405967189 /nfs/dbraw/zinc/96/71/89/405967189.db2.gz LMXYYSKIKJAFJU-UHFFFAOYSA-N 0 0 305.403 2.280 10 30 DEEERN C=CCC1(C(=O)NCc2nnc(C3CCOCC3)[nH]2)CCC1 ZINC000633988937 405944152 /nfs/dbraw/zinc/94/41/52/405944152.db2.gz CWTPMLRIENGZKX-UHFFFAOYSA-N 0 0 304.394 2.061 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc(OC)cc1 ZINC000636446316 405961940 /nfs/dbraw/zinc/96/19/40/405961940.db2.gz LOZHYDACTFXHMU-UHFFFAOYSA-N 0 0 304.390 2.030 10 30 DEEERN C=CCn1c(N2C[C@H](C)OC(C)(C)C2)nnc1[C@]1(C)CCCO1 ZINC000562568806 406036727 /nfs/dbraw/zinc/03/67/27/406036727.db2.gz CLOJCBBPVHFFRI-GUYCJALGSA-N 0 0 320.437 2.493 10 30 DEEERN C=CCCCS(=O)(=O)Nc1c(F)cccc1C(=O)OC ZINC000451060354 406034260 /nfs/dbraw/zinc/03/42/60/406034260.db2.gz JPUCLXGSYSQHMB-UHFFFAOYSA-N 0 0 301.339 2.320 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1cc(F)ccc1F ZINC000636513871 405996356 /nfs/dbraw/zinc/99/63/56/405996356.db2.gz HYYFHFLQOLARRK-UHFFFAOYSA-N 0 0 310.344 2.300 10 30 DEEERN C=CCN1CC[C@@H](N(C)Cc2nc(C)c3ccccc3n2)C1=O ZINC000531701248 405996748 /nfs/dbraw/zinc/99/67/48/405996748.db2.gz QQJYXGUOGCEOQB-MRXNPFEDSA-N 0 0 310.401 2.157 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1ccc(C)nc1 ZINC000636554855 406008008 /nfs/dbraw/zinc/00/80/08/406008008.db2.gz BEOFDFJISONCOK-UHFFFAOYSA-N 0 0 303.406 2.115 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C)CCc1cccn1C ZINC000636790898 406082415 /nfs/dbraw/zinc/08/24/15/406082415.db2.gz MSORJLYDGXCZBW-AWEZNQCLSA-N 0 0 319.449 2.181 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CC1CCC(C(=O)OCC)CC1 ZINC000566260632 406087024 /nfs/dbraw/zinc/08/70/24/406087024.db2.gz DNVLVNORRSFMMO-CKUJCDMFSA-N 0 0 323.433 2.453 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@H]1[C@H](c2ccccc2)C1(C)C ZINC000636831105 406093143 /nfs/dbraw/zinc/09/31/43/406093143.db2.gz IPPZTWOWIAXDKP-GJZGRUSLSA-N 0 0 300.402 2.377 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](COC)c1ccccc1 ZINC000636643753 406040935 /nfs/dbraw/zinc/04/09/35/406040935.db2.gz XRPPKPWWBSZZLN-HNNXBMFYSA-N 0 0 318.417 2.209 10 30 DEEERN C=CCSCCNC(=O)N[C@@H](c1ccccc1F)[C@@H](C)O ZINC000563229377 406059436 /nfs/dbraw/zinc/05/94/36/406059436.db2.gz DMWVCEFJHFBWLF-BXUZGUMPSA-N 0 0 312.410 2.466 10 30 DEEERN C=CCC1(C(=O)N2CCO[C@H](COC(C)C)C2)CCOCC1 ZINC000564872596 406067571 /nfs/dbraw/zinc/06/75/71/406067571.db2.gz NVSVVBUQTCZEGA-HNNXBMFYSA-N 0 0 311.422 2.012 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)C[C@H]1CCOC1 ZINC000636769810 406076738 /nfs/dbraw/zinc/07/67/38/406076738.db2.gz DMPVCLQIIFPNQT-UONOGXRCSA-N 0 0 310.438 2.026 10 30 DEEERN C=CCCCCCNC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000517244671 406124536 /nfs/dbraw/zinc/12/45/36/406124536.db2.gz LAXBKBONRIWHQK-UHFFFAOYSA-N 0 0 311.407 2.202 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1OCC ZINC000636951407 406132137 /nfs/dbraw/zinc/13/21/37/406132137.db2.gz RCXAVFCLJAPNGO-ZIAGYGMSSA-N 0 0 310.438 2.169 10 30 DEEERN C=CCCCCCNC(=O)N(CC)[C@H](C)CS(C)(=O)=O ZINC000567749493 406133993 /nfs/dbraw/zinc/13/39/93/406133993.db2.gz MAZRXOGBNAIESV-CYBMUJFWSA-N 0 0 304.456 2.197 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2c(CC)c(CC)n[nH]c2=O)C1 ZINC000636976070 406138025 /nfs/dbraw/zinc/13/80/25/406138025.db2.gz XVSUQALHWXGHQI-LBPRGKRZSA-N 0 0 318.421 2.415 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000632446845 406141869 /nfs/dbraw/zinc/14/18/69/406141869.db2.gz DVMQXUXVRIGGDR-VIFPVBQESA-N 0 0 322.352 2.234 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1ccc(C)cn1 ZINC000636990632 406143808 /nfs/dbraw/zinc/14/38/08/406143808.db2.gz KKMUCHMJZBROSW-UHFFFAOYSA-N 0 0 303.406 2.115 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1CCc2ccc(O)cc21 ZINC000637018118 406151643 /nfs/dbraw/zinc/15/16/43/406151643.db2.gz MLUUWFNBNDFYLF-OAHLLOKOSA-N 0 0 316.401 2.214 10 30 DEEERN C=CCOCCNC(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000637032654 406156266 /nfs/dbraw/zinc/15/62/66/406156266.db2.gz PDWPQEYCTCUSFN-RRFJBIMHSA-N 0 0 306.793 2.480 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC(COC)(C2CC2)C1 ZINC000637117420 406181442 /nfs/dbraw/zinc/18/14/42/406181442.db2.gz REVGPMSSKJHZOE-HIFRSBDPSA-N 0 0 308.422 2.036 10 30 DEEERN C=C(CNC(=O)N[C@@H]1CCN(C2CCC2)C1=O)c1ccccc1 ZINC000637147286 406190799 /nfs/dbraw/zinc/19/07/99/406190799.db2.gz IQZSLRKCUCWQSZ-MRXNPFEDSA-N 0 0 313.401 2.152 10 30 DEEERN C=CCN(Cc1ccccc1F)C[C@@H](O)CC1(O)CCOCC1 ZINC000634644701 406205093 /nfs/dbraw/zinc/20/50/93/406205093.db2.gz ZYINAKRDLITALV-INIZCTEOSA-N 0 0 323.408 2.106 10 30 DEEERN C=CCC1(CNC(=O)N2C[C@@H](OC)C[C@@]2(C)CO)CCCC1 ZINC000637197209 406208653 /nfs/dbraw/zinc/20/86/53/406208653.db2.gz CMPIEABAIPSCGF-HOCLYGCPSA-N 0 0 310.438 2.304 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(C)o1 ZINC000637238977 406224695 /nfs/dbraw/zinc/22/46/95/406224695.db2.gz JYQQCRJYJRPVIU-HIFRSBDPSA-N 0 0 304.390 2.455 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1cccnc1C ZINC000637088581 406173292 /nfs/dbraw/zinc/17/32/92/406173292.db2.gz BARYFEUHXJTYDQ-UHFFFAOYSA-N 0 0 303.406 2.115 10 30 DEEERN N#Cc1cccc(CC(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000536239887 406253369 /nfs/dbraw/zinc/25/33/69/406253369.db2.gz OBEJRWPMXYQLGL-JSGCOSHPSA-N 0 0 312.291 2.015 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCC[C@H](OCC2CC2)C1 ZINC000519837295 406262925 /nfs/dbraw/zinc/26/29/25/406262925.db2.gz ULTLDCNOGIREQY-INIZCTEOSA-N 0 0 322.449 2.267 10 30 DEEERN C=C1CC(C)(C(=O)Nc2ccc(OCC(=O)NC)cc2C)C1 ZINC000632823412 406277997 /nfs/dbraw/zinc/27/79/97/406277997.db2.gz ZYYDPPQZZCCDCL-UHFFFAOYSA-N 0 0 302.374 2.415 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1NC(C)=O ZINC000520399960 406288956 /nfs/dbraw/zinc/28/89/56/406288956.db2.gz JWRABSVFFQFNQM-HOCLYGCPSA-N 0 0 317.389 2.035 10 30 DEEERN C=C(C)CNC(=O)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000488537760 406328765 /nfs/dbraw/zinc/32/87/65/406328765.db2.gz BIYGCGFNQBWJKL-HNNXBMFYSA-N 0 0 319.449 2.387 10 30 DEEERN CC1(C#N)CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000541859034 406301149 /nfs/dbraw/zinc/30/11/49/406301149.db2.gz JAOLQXVRIOBAJQ-CQSZACIVSA-N 0 0 315.348 2.083 10 30 DEEERN C=CCC[C@H](NC(=O)c1cnn2c1C[C@H](C)CC2)C(=O)OCC ZINC000570635182 406419911 /nfs/dbraw/zinc/41/99/11/406419911.db2.gz YSWPEPNFAQTOIF-OCCSQVGLSA-N 0 0 319.405 2.093 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000570657573 406421938 /nfs/dbraw/zinc/42/19/38/406421938.db2.gz OFJBOTBTPKJCHC-NEPJUHHUSA-N 0 0 317.311 2.299 10 30 DEEERN COc1cc(C#N)ccc1NC(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000548161888 406487468 /nfs/dbraw/zinc/48/74/68/406487468.db2.gz NIZMZCJDXBQOAZ-JTQLQIEISA-N 0 0 313.361 2.351 10 30 DEEERN C=CCN(CCC#N)S(=O)(=O)CC1Cc2ccccc2C1 ZINC000490115566 406453960 /nfs/dbraw/zinc/45/39/60/406453960.db2.gz WMGUHVBOSOJHLA-UHFFFAOYSA-N 0 0 304.415 2.133 10 30 DEEERN C=CCC1(C(=O)NC[C@H](CC2CC2)C(=O)OC)CCOCC1 ZINC000571813512 406569973 /nfs/dbraw/zinc/56/99/73/406569973.db2.gz MGBBRXBMYBNWEF-AWEZNQCLSA-N 0 0 309.406 2.065 10 30 DEEERN N#Cc1cnccc1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000548482330 406521361 /nfs/dbraw/zinc/52/13/61/406521361.db2.gz CZOTVNZTUYIKRK-UHFFFAOYSA-N 0 0 307.332 2.355 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cnc(C)nc1C1CC1 ZINC000574152834 406780161 /nfs/dbraw/zinc/78/01/61/406780161.db2.gz CRHLRXSAPUMPLP-JSGCOSHPSA-N 0 0 302.378 2.375 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1C[S@](C)=O ZINC000575176454 406789366 /nfs/dbraw/zinc/78/93/66/406789366.db2.gz LDOOGAJWRQWTLR-LAKHIVPPSA-N 0 0 322.430 2.278 10 30 DEEERN CCOC(=O)Cc1cc(C#N)cc([N+](=O)[O-])c1Br ZINC000575383493 406808022 /nfs/dbraw/zinc/80/80/22/406808022.db2.gz KYUHJHUUHSVIGV-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN CCOC(=O)Cc1c(C=O)cc(C#N)cc1OC(F)(F)F ZINC000575390866 406808704 /nfs/dbraw/zinc/80/87/04/406808704.db2.gz HLWOFAMJHXSYNE-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN C=CC[C@@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@@H](O)C=C ZINC000575417710 406810096 /nfs/dbraw/zinc/81/00/96/406810096.db2.gz RGXROBWGGVLRHX-XHSDSOJGSA-N 0 0 315.369 2.316 10 30 DEEERN CCOc1cc(CC#N)c(N)cc1I ZINC000575717440 406823332 /nfs/dbraw/zinc/82/33/32/406823332.db2.gz HAZSNCOEXOLYLP-UHFFFAOYSA-N 0 0 302.115 2.338 10 30 DEEERN Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CCC(CC#N)CC1 ZINC000554748086 406823723 /nfs/dbraw/zinc/82/37/23/406823723.db2.gz NJCBHETWSZNLMT-CQSZACIVSA-N 0 0 301.394 2.133 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(NC(=O)CC)ccc1C ZINC000554888056 406828079 /nfs/dbraw/zinc/82/80/79/406828079.db2.gz GDRYSWZOGCQMCO-ZDUSSCGKSA-N 0 0 305.378 2.402 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000577351023 406836611 /nfs/dbraw/zinc/83/66/11/406836611.db2.gz SGHUZACUZNACMZ-MPESAESLSA-N 0 0 314.385 2.354 10 30 DEEERN CC(C)Cc1ccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)cc1 ZINC000129024927 196013359 /nfs/dbraw/zinc/01/33/59/196013359.db2.gz DOLCQTRIHDREEP-MRXNPFEDSA-N 0 0 322.430 2.188 10 30 DEEERN C=CCCCN(C)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000131688223 196190964 /nfs/dbraw/zinc/19/09/64/196190964.db2.gz BWNKMWKNCHBKGK-NSHDSACASA-N 0 0 321.343 2.147 10 30 DEEERN COc1ccc(C#N)cc1CS(=O)(=O)c1ccc(N)cc1 ZINC000131729469 196194764 /nfs/dbraw/zinc/19/47/64/196194764.db2.gz UIRYMPRLJREGFH-UHFFFAOYSA-N 0 0 302.355 2.123 10 30 DEEERN C=CCN(CCO)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000134526180 196398388 /nfs/dbraw/zinc/39/83/88/196398388.db2.gz GMEUXCFQXZXRSF-UHFFFAOYSA-N 0 0 310.202 2.162 10 30 DEEERN C=CCN(CCO)c1cc(Br)ccc1[N+](=O)[O-] ZINC000135916238 196508735 /nfs/dbraw/zinc/50/87/35/196508735.db2.gz CEVHWUNNEHHDQT-UHFFFAOYSA-N 0 0 301.140 2.342 10 30 DEEERN N#Cc1ncn(CC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000178341727 224856335 /nfs/dbraw/zinc/85/63/35/224856335.db2.gz WNDOXKCMPIHVQM-HNNXBMFYSA-N 0 0 315.764 2.071 10 30 DEEERN Cc1noc(C(C)(C)NC(=O)C[C@@H](C)N2CCCCC2=O)n1 ZINC000328974780 225821500 /nfs/dbraw/zinc/82/15/00/225821500.db2.gz CNYGEJBRUACGGA-SNVBAGLBSA-N 0 0 308.382 2.361 10 30 DEEERN Cn1cc([C@H]2CCN(C(=O)Nc3cn(C)nc3C3CC3)C2)cn1 ZINC000329602408 225901968 /nfs/dbraw/zinc/90/19/68/225901968.db2.gz FUHPTWSMQQRYHR-LBPRGKRZSA-N 0 0 314.393 2.066 10 30 DEEERN N#C[C@@H]1CN(C(=O)Nc2cc(F)cc(F)c2)CCN1C1CC1 ZINC000369219470 227027223 /nfs/dbraw/zinc/02/72/23/227027223.db2.gz OMYYWUWADZVOET-CQSZACIVSA-N 0 0 306.316 2.169 10 30 DEEERN Cc1ccc([C@@H](C)NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000369228268 227027619 /nfs/dbraw/zinc/02/76/19/227027619.db2.gz AKHLXEGTMDDJOB-RHSMWYFYSA-N 0 0 312.417 2.438 10 30 DEEERN N#C[C@H]1CN(C(=O)c2c(F)cccc2Cl)CCN1C1CC1 ZINC000370968841 227060141 /nfs/dbraw/zinc/06/01/41/227060141.db2.gz NXUPKAYHDSXVLS-NSHDSACASA-N 0 0 307.756 2.291 10 30 DEEERN N#C[C@@H]1CN(C(=O)/C=C/Sc2ccccc2)CCN1C1CC1 ZINC000370974532 227061797 /nfs/dbraw/zinc/06/17/97/227061797.db2.gz UNMGGFDEOPMZMR-KUCQQTCKSA-N 0 0 313.426 2.491 10 30 DEEERN N#C[C@H]1CN(C(=O)c2ccc(F)cc2Cl)CCN1C1CC1 ZINC000370987048 227061887 /nfs/dbraw/zinc/06/18/87/227061887.db2.gz WTJVLUVYKIMPSB-LBPRGKRZSA-N 0 0 307.756 2.291 10 30 DEEERN Cc1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1Cl ZINC000371959155 227080875 /nfs/dbraw/zinc/08/08/75/227080875.db2.gz JHNZNUXZELMXHG-AWEZNQCLSA-N 0 0 303.793 2.461 10 30 DEEERN Cc1ccnc(C2CCN(C(=O)NCC3(CC#N)CC3)CC2)n1 ZINC000374033420 227123099 /nfs/dbraw/zinc/12/30/99/227123099.db2.gz LXLUQYSARHWLHI-UHFFFAOYSA-N 0 0 313.405 2.368 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](n2cccn2)C1 ZINC000291256953 222263933 /nfs/dbraw/zinc/26/39/33/222263933.db2.gz OHVXWKAZYHECGK-QZTJIDSGSA-N 0 0 322.412 2.474 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1[nH]nc(C2CC2)c1Br ZINC000408331568 227230666 /nfs/dbraw/zinc/23/06/66/227230666.db2.gz RLPUAOBUNMVYQI-DTWKUNHWSA-N 0 0 323.194 2.472 10 30 DEEERN C=CCNc1nnc(SC[C@@H](O)C[C@](C)(O)C2CC2)s1 ZINC000634638108 422522101 /nfs/dbraw/zinc/52/21/01/422522101.db2.gz INIMCMARKODBTB-GWCFXTLKSA-N 0 0 315.464 2.140 10 30 DEEERN CNC(=O)[C@H]1CCC[C@H]1Nc1ccc(C(F)(F)F)c(C#N)n1 ZINC000619697258 422531554 /nfs/dbraw/zinc/53/15/54/422531554.db2.gz RWEGVCJJTGUFOR-WCBMZHEXSA-N 0 0 312.295 2.299 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccc(NC)nc1 ZINC000633016226 422711633 /nfs/dbraw/zinc/71/16/33/422711633.db2.gz KGVNYQGCMCCHNS-UHFFFAOYSA-N 0 0 304.394 2.170 10 30 DEEERN C=CC[C@@H]1CCN(Cc2nc(N)nc(Nc3ccccc3C)n2)C1 ZINC000625701939 424811293 /nfs/dbraw/zinc/81/12/93/424811293.db2.gz CPDSHJKDTGKHFQ-CQSZACIVSA-N 0 0 324.432 2.326 10 30 DEEERN C=CC[C@H](Cc1ccccc1)Nc1ccnc(N2CCOCC2)n1 ZINC000413590366 424946395 /nfs/dbraw/zinc/94/63/95/424946395.db2.gz ZTUOWJCIYJFIQP-QGZVFWFLSA-N 0 0 324.428 2.913 10 30 DEEERN CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CCCCC1(C)C ZINC000579313436 424962343 /nfs/dbraw/zinc/96/23/43/424962343.db2.gz QLOMVNAWEBZCDZ-ZDUSSCGKSA-N 0 0 317.437 2.471 10 30 DEEERN C=C(CC)CNC(=O)Nc1ccn([C@@H](CCC)C(=O)OCC)n1 ZINC000597036767 425030180 /nfs/dbraw/zinc/03/01/80/425030180.db2.gz AFXVDMBZVZVXFS-ZDUSSCGKSA-N 0 0 322.409 2.875 10 30 DEEERN Cc1cc(C#N)nc(NCC2(c3ccccc3)CCOCC2)n1 ZINC000439100166 425036264 /nfs/dbraw/zinc/03/62/64/425036264.db2.gz NOACZOIRMRFQEW-UHFFFAOYSA-N 0 0 308.385 2.817 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1nn(C2CCCCC2)cc1C ZINC000448378087 425057106 /nfs/dbraw/zinc/05/71/06/425057106.db2.gz XFJXTSWQRICYNN-UHFFFAOYSA-N 0 0 318.421 2.718 10 30 DEEERN C=CCC[C@H](CO)NC(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000455317040 425097021 /nfs/dbraw/zinc/09/70/21/425097021.db2.gz PHGDXHANZMXXSO-GFCCVEGCSA-N 0 0 307.394 2.955 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000177402285 267784913 /nfs/dbraw/zinc/78/49/13/267784913.db2.gz DAAXMKZXCFRFOT-UKRRQHHQSA-N 0 0 303.406 2.468 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000248391515 287810567 /nfs/dbraw/zinc/81/05/67/287810567.db2.gz DBECSUTUJBQXLS-VYDXJSESSA-N 0 0 313.401 2.405 10 30 DEEERN C=CCCCNC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000448380320 275422581 /nfs/dbraw/zinc/42/25/81/275422581.db2.gz FGOHEUWLLKNMBP-BZUAXINKSA-N 0 0 309.454 2.236 10 30 DEEERN COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C#N)n1C)CCO2 ZINC000450668498 277444816 /nfs/dbraw/zinc/44/48/16/277444816.db2.gz ZSOJGSDCITWIMH-AWEZNQCLSA-N 0 0 311.341 2.159 10 30 DEEERN C=C(CC)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000456815255 277810123 /nfs/dbraw/zinc/81/01/23/277810123.db2.gz XHQFGCKMZPFHDR-RDJZCZTQSA-N 0 0 316.401 2.297 10 30 DEEERN Cc1cccc(NC(=O)C(=O)N[C@H]2COc3ccccc32)c1C#N ZINC000174810771 281235489 /nfs/dbraw/zinc/23/54/89/281235489.db2.gz NAJNOFBZVJHCFN-HNNXBMFYSA-N 0 0 321.336 2.055 10 30 DEEERN CC1(C)OCC[C@H]1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000295189633 281414476 /nfs/dbraw/zinc/41/44/76/281414476.db2.gz CXFSSFFJCIOUQL-GFCCVEGCSA-N 0 0 314.794 2.057 10 30 DEEERN COc1ccc([C@@H](C#N)NCC(F)(F)F)c(OC)c1OC ZINC000037971054 295202405 /nfs/dbraw/zinc/20/24/05/295202405.db2.gz JFSIGLZNLQEOBE-SECBINFHSA-N 0 0 304.268 2.429 10 30 DEEERN Cc1cccn2c1ncc(C(=O)N[C@@]1(C#N)CCC[C@H](C)C1)c2=O ZINC000091056682 302230065 /nfs/dbraw/zinc/23/00/65/302230065.db2.gz GRXIYYCPNRCWBP-SGTLLEGYSA-N 0 0 324.384 2.205 10 30 DEEERN O=C(N[C@H]1CCC(=O)NC12CCC2)C1(N2CCOCC2)CCC1 ZINC000328707724 303513777 /nfs/dbraw/zinc/51/37/77/303513777.db2.gz QDQPRGSKURPMFU-ZDUSSCGKSA-N 0 0 321.421 2.239 10 30 DEEERN CN(c1nccs1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000174015011 325737851 /nfs/dbraw/zinc/73/78/51/325737851.db2.gz MUCAZBBOCPYXOS-UHFFFAOYSA-N 0 0 313.791 2.493 10 30 DEEERN C=CCOc1ccc(CNC(=O)c2coc(COC)n2)cc1 ZINC000557354502 331784583 /nfs/dbraw/zinc/78/45/83/331784583.db2.gz BGIOZOOOGDKMFU-UHFFFAOYSA-N 0 0 302.330 2.316 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)CC1CCC(C(=O)OCC)CC1 ZINC000582124245 332330395 /nfs/dbraw/zinc/33/03/95/332330395.db2.gz WRHOGXCXENPQPO-CVSAEHQPSA-N 0 0 309.406 2.206 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000560462200 332341456 /nfs/dbraw/zinc/34/14/56/332341456.db2.gz KEVNCFDEAMOQLF-CVEARBPZSA-N 0 0 314.385 2.042 10 30 DEEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC=C(C)CC1 ZINC000562568767 332605733 /nfs/dbraw/zinc/60/57/33/332605733.db2.gz UCWKGFBQXGHKFX-UHFFFAOYSA-N 0 0 313.409 2.115 10 30 DEEERN C=CCCCCCNC(=O)c1cccc(S(N)(=O)=O)c1C ZINC000582131249 333138533 /nfs/dbraw/zinc/13/85/33/333138533.db2.gz BPSNHJIOXUUGNN-UHFFFAOYSA-N 0 0 310.419 2.119 10 30 DEEERN C=CCn1c(SCc2ccnc(OC)n2)nnc1C1CC1 ZINC000296331275 335143722 /nfs/dbraw/zinc/14/37/22/335143722.db2.gz PGRUFZXMJLALCT-UHFFFAOYSA-N 0 0 303.391 2.432 10 30 DEEERN C#C[C@H](C)NS(=O)(=O)c1cc(OC)cc(C(F)(F)F)c1 ZINC000296380854 335143880 /nfs/dbraw/zinc/14/38/80/335143880.db2.gz TTXLJVJKLGDCRD-QMMMGPOBSA-N 0 0 307.293 2.014 10 30 DEEERN N#CCc1ccnc(NC(=O)C(=O)c2ccc3c(c2)CCC3)c1 ZINC000531924378 334292780 /nfs/dbraw/zinc/29/27/80/334292780.db2.gz TVVUIMKMPKCLMN-UHFFFAOYSA-N 0 0 305.337 2.458 10 30 DEEERN N#Cc1cncc(S(=O)(=O)N2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000582234102 336374315 /nfs/dbraw/zinc/37/43/15/336374315.db2.gz SMFWJVBWJMYFAS-INIZCTEOSA-N 0 0 317.414 2.464 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000563973123 336389324 /nfs/dbraw/zinc/38/93/24/336389324.db2.gz ZXIAJSMIXHCKCW-UHFFFAOYSA-N 0 0 317.389 2.446 10 30 DEEERN C=CCN(C(=O)[C@@H]1CCO[C@@H]1C)c1nc(C(=O)OCC)cs1 ZINC000356017803 336532445 /nfs/dbraw/zinc/53/24/45/336532445.db2.gz VVDHFOOBMIRUFG-GHMZBOCLSA-N 0 0 324.402 2.264 10 30 DEEERN C=CCN(CCOC)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC000361069335 336736606 /nfs/dbraw/zinc/73/66/06/336736606.db2.gz PJCLVSGEIDGEEX-UHFFFAOYSA-N 0 0 318.373 2.460 10 30 DEEERN C=CCn1cc(CNC(=O)N[C@H](C)[C@@H]2CC3CCC2CC3)nn1 ZINC000582789559 337166581 /nfs/dbraw/zinc/16/65/81/337166581.db2.gz FFTLMXKDHPQPAI-WOICTCIZSA-N 0 0 317.437 2.478 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccccc1C(=O)OCC ZINC000180267445 337175577 /nfs/dbraw/zinc/17/55/77/337175577.db2.gz QHRKHGLFNVMDFR-UHFFFAOYSA-N 0 0 318.373 2.226 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000185466950 337205498 /nfs/dbraw/zinc/20/54/98/337205498.db2.gz APEPSADUWYLUCJ-GFCCVEGCSA-N 0 0 300.358 2.001 10 30 DEEERN C=CCN(C(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1)C1CC1 ZINC000583013825 337229072 /nfs/dbraw/zinc/22/90/72/337229072.db2.gz OSABNSHCBAPLDA-OAHLLOKOSA-N 0 0 301.346 2.094 10 30 DEEERN Cc1ccc(S(=O)(=O)NCCC#CBr)cc1 ZINC000584608350 337371886 /nfs/dbraw/zinc/37/18/86/337371886.db2.gz HMEJSBMINURELG-UHFFFAOYSA-N 0 0 302.193 2.019 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CSc2ccccc2O1 ZINC000571924401 337582009 /nfs/dbraw/zinc/58/20/09/337582009.db2.gz QPXNKJQKYKVYQJ-UPJWGTAASA-N 0 0 305.399 2.247 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496896564 340015665 /nfs/dbraw/zinc/01/56/65/340015665.db2.gz ZKMVLPRNLPDZCM-MJBXVCDLSA-N 0 0 324.421 2.093 10 30 DEEERN Cc1cc(NC(=O)c2cccc3nccnc32)n(CCC#N)n1 ZINC000542530286 341012332 /nfs/dbraw/zinc/01/23/32/341012332.db2.gz AWUDFUWSSWOUDS-UHFFFAOYSA-N 0 0 306.329 2.301 10 30 DEEERN C=CCCCCCNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000565177477 341048337 /nfs/dbraw/zinc/04/83/37/341048337.db2.gz CWGMVCOAHPJMQR-MRXNPFEDSA-N 0 0 310.486 2.058 10 30 DEEERN CCCn1nccc1NC(=O)C(=O)N(CCC#N)CCC(C)C ZINC000133351891 341173612 /nfs/dbraw/zinc/17/36/12/341173612.db2.gz ULTIHQMQOQFLFP-UHFFFAOYSA-N 0 0 319.409 2.020 10 30 DEEERN C=C[C@](C)(CC)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000134994403 341228358 /nfs/dbraw/zinc/22/83/58/341228358.db2.gz VWPXKKLRTXYUTR-QGZVFWFLSA-N 0 0 318.421 2.483 10 30 DEEERN N#C[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000246821593 341357445 /nfs/dbraw/zinc/35/74/45/341357445.db2.gz KQJDCAGLWFTWLC-MXWKQRLJSA-N 0 0 308.740 2.334 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000555617654 341487270 /nfs/dbraw/zinc/48/72/70/341487270.db2.gz WMLHWLRTZBUZPX-JHJVBQTASA-N 0 0 321.339 2.129 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000564792108 341509754 /nfs/dbraw/zinc/50/97/54/341509754.db2.gz BRYZGCKCAZTPTP-XIRDDKMYSA-N 0 0 317.385 2.175 10 30 DEEERN C=CCCn1cc(C(=O)N2CCOCC23CCCCC3)nn1 ZINC000566122919 341548274 /nfs/dbraw/zinc/54/82/74/341548274.db2.gz NAKVNUAHQYVFHC-UHFFFAOYSA-N 0 0 304.394 2.030 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)c2coc3ccc(F)cc23)C1=O ZINC000566260682 341552312 /nfs/dbraw/zinc/55/23/12/341552312.db2.gz NOEAGMMAARLXDE-AWEZNQCLSA-N 0 0 316.332 2.431 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000153913600 341581298 /nfs/dbraw/zinc/58/12/98/341581298.db2.gz LOKSBEBXWXUSOI-KGLIPLIRSA-N 0 0 314.389 2.426 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NS(=O)(=O)CCCOCc1ccccc1 ZINC000336725378 341805239 /nfs/dbraw/zinc/80/52/39/341805239.db2.gz YJUZVHKEIDXIEC-CVEARBPZSA-N 0 0 322.430 2.205 10 30 DEEERN C=CCn1c(-c2scnc2C)nnc1N1CCO[C@H](CF)C1 ZINC000576345900 341841666 /nfs/dbraw/zinc/84/16/66/341841666.db2.gz UYRKFDIFSWRQHY-LLVKDONJSA-N 0 0 323.397 2.071 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC000577771344 341936104 /nfs/dbraw/zinc/93/61/04/341936104.db2.gz ILMQNLNQZGRXGO-CABCVRRESA-N 0 0 318.421 2.345 10 30 DEEERN COc1ccc(Cl)cc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000377682697 533837820 /nfs/dbraw/zinc/83/78/20/533837820.db2.gz ZFJRNWULPNRQGQ-CYBMUJFWSA-N 0 0 319.792 2.161 10 30 DEEERN C[C@H](N[C@H]1CCC[C@H]1C#N)C(=O)N1CCc2sccc2C1 ZINC000408200020 534000540 /nfs/dbraw/zinc/00/05/40/534000540.db2.gz YSMAXTQTMZNKBI-OBJOEFQTSA-N 0 0 303.431 2.303 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CC[C@@H]([C@H](O)C(F)(F)F)C1)OCC ZINC000456679195 534328930 /nfs/dbraw/zinc/32/89/30/534328930.db2.gz HCNICKMFLWOGGG-MDZLAQPJSA-N 0 0 309.328 2.129 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N(CC)CC1CCC1 ZINC000453417947 534426253 /nfs/dbraw/zinc/42/62/53/534426253.db2.gz FYDKRTUFMGPTQH-UHFFFAOYSA-N 0 0 315.425 2.194 10 30 DEEERN CCOCCO[C@H]1CCN(C(=O)c2ccc(C#N)cc2C)C1 ZINC000152858588 520030606 /nfs/dbraw/zinc/03/06/06/520030606.db2.gz RULBUEMEFSXKSN-HNNXBMFYSA-N 0 0 302.374 2.134 10 30 DEEERN Cc1nc([C@@H]2CCCN2C(=O)NCCC2CCOCC2)no1 ZINC000329407382 534564157 /nfs/dbraw/zinc/56/41/57/534564157.db2.gz XKTCDUOLINOLRX-ZDUSSCGKSA-N 0 0 308.382 2.246 10 30 DEEERN N#CCCCOc1cccnc1NC(=O)N[C@H]1CCCOC1 ZINC000188785444 534617694 /nfs/dbraw/zinc/61/76/94/534617694.db2.gz RCFINAOGWVUMLF-LBPRGKRZSA-N 0 0 304.350 2.065 10 30 DEEERN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cccc(F)c3C#N)[C@@H]2C1 ZINC000188840521 523725357 /nfs/dbraw/zinc/72/53/57/523725357.db2.gz VSWMDGSCAJKNSZ-HFBAOOFYSA-N 0 0 318.348 2.106 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)C2CC2)CCN1C1CC1 ZINC000371373715 534737291 /nfs/dbraw/zinc/73/72/91/534737291.db2.gz BJXFHGURRCSVCZ-MSOLQXFVSA-N 0 0 309.413 2.379 10 30 DEEERN Cc1csc(C2(N[C@@H](C)C(=O)N(C)CCC#N)CCC2)n1 ZINC000264835448 534797437 /nfs/dbraw/zinc/79/74/37/534797437.db2.gz DXRRFQZNPHPZMH-LBPRGKRZSA-N 0 0 306.435 2.181 10 30 DEEERN C=CCN(CCOC)S(=O)(=O)c1cccc(Cl)c1C ZINC000190502308 526302758 /nfs/dbraw/zinc/30/27/58/526302758.db2.gz QOXGTFGYHIOAKP-UHFFFAOYSA-N 0 0 303.811 2.472 10 30 DEEERN CC#CCCNC(=O)N[C@@H](c1c(C)nn(C)c1C)C(F)(F)F ZINC000350640612 526326178 /nfs/dbraw/zinc/32/61/78/526326178.db2.gz WUXIAECMFKGXFF-LBPRGKRZSA-N 0 0 316.327 2.353 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](NC(=O)CCC)C1 ZINC000245199824 526536034 /nfs/dbraw/zinc/53/60/34/526536034.db2.gz FYJWMRZUONCKLN-CVEARBPZSA-N 0 0 323.481 2.180 10 30 DEEERN C=C(C)CN(CC)c1nnc([C@@H]2COCCO2)n1CC(=C)C ZINC000293037957 526550303 /nfs/dbraw/zinc/55/03/03/526550303.db2.gz QLPLWAJZIDRLDI-AWEZNQCLSA-N 0 0 306.410 2.345 10 30 DEEERN C=CCNC(=O)C[S@](=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000349088624 526578138 /nfs/dbraw/zinc/57/81/38/526578138.db2.gz ZWQKHHQNQXJPHX-JOCHJYFZSA-N 0 0 322.361 2.032 10 30 DEEERN CC(=O)N1CCc2cc(NC(=O)NCC[C@@H](O)C(C)C)ccc21 ZINC000331230195 526670975 /nfs/dbraw/zinc/67/09/75/526670975.db2.gz HONBACZIFBULPF-MRXNPFEDSA-N 0 0 319.405 2.329 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC(Nc2nc(C)cs2)CC1 ZINC000370463009 526673964 /nfs/dbraw/zinc/67/39/64/526673964.db2.gz UNKPKIUKZMHIHA-UHFFFAOYSA-N 0 0 315.464 2.234 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000372802894 526707227 /nfs/dbraw/zinc/70/72/27/526707227.db2.gz IWSRDLSPVHABKO-AWEZNQCLSA-N 0 0 303.406 2.292 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCC(=O)NCCc1ccccc1OC ZINC000437746916 526710973 /nfs/dbraw/zinc/71/09/73/526710973.db2.gz JHWYYUBOWUYKEM-AWEZNQCLSA-N 0 0 318.417 2.072 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(C)=C(C)C1 ZINC000292984368 526737192 /nfs/dbraw/zinc/73/71/92/526737192.db2.gz NHQSTPRMEFNMPF-HNNXBMFYSA-N 0 0 318.421 2.489 10 30 DEEERN C=C(C)[C@@H](CC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C)OCC ZINC000339359689 526750271 /nfs/dbraw/zinc/75/02/71/526750271.db2.gz JTAPQYKBVSEKNJ-BLLLJJGKSA-N 0 0 307.438 2.455 10 30 DEEERN C=CCOCCNC(=O)NCc1nnc(-c2ccccc2)s1 ZINC000374753021 526778035 /nfs/dbraw/zinc/77/80/35/526778035.db2.gz KKSWABAJXAWROV-UHFFFAOYSA-N 0 0 318.402 2.207 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@H](C)c2ccc(C)c(F)c2)C1=O ZINC000348608062 526800585 /nfs/dbraw/zinc/80/05/85/526800585.db2.gz SFEOPUBXUCXKDP-RISCZKNCSA-N 0 0 306.337 2.318 10 30 DEEERN C=C(C)[C@H](CC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC)OCC ZINC000342483763 526810811 /nfs/dbraw/zinc/81/08/11/526810811.db2.gz DFDOGZAGEBYNTF-FQLMCAECSA-N 0 0 309.406 2.158 10 30 DEEERN C=CCOC[C@H]1NC(=O)N([C@H](C)c2ccc(C)c(F)c2)C1=O ZINC000348608060 526814833 /nfs/dbraw/zinc/81/48/33/526814833.db2.gz SFEOPUBXUCXKDP-BXUZGUMPSA-N 0 0 306.337 2.318 10 30 DEEERN C=C(CNC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccccc1 ZINC000376689232 526874010 /nfs/dbraw/zinc/87/40/10/526874010.db2.gz ROEDKPHZHVQAIZ-WQVCFCJDSA-N 0 0 313.401 2.008 10 30 DEEERN C=CCOc1ccc(CNC(=O)NC[C@H](CO)C2CC2)cc1 ZINC000359469363 526879605 /nfs/dbraw/zinc/87/96/05/526879605.db2.gz GULABJRPUVJJOV-OAHLLOKOSA-N 0 0 304.390 2.069 10 30 DEEERN C=CCOc1ccc(CNC(=O)N[C@](C)(CO)C(C)C)cc1 ZINC000359471512 526881430 /nfs/dbraw/zinc/88/14/30/526881430.db2.gz MESRCWXVTNODIH-QGZVFWFLSA-N 0 0 306.406 2.458 10 30 DEEERN C=CCSc1ccccc1C(=O)N1CCO[C@@H]([C@H](C)O)C1 ZINC000412935900 527008086 /nfs/dbraw/zinc/00/80/86/527008086.db2.gz XQSPRSJICUUNQQ-GXTWGEPZSA-N 0 0 307.415 2.187 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1n1cccn1 ZINC000342027172 527031271 /nfs/dbraw/zinc/03/12/71/527031271.db2.gz PWNVELPLRJHWKP-BZUAXINKSA-N 0 0 303.406 2.486 10 30 DEEERN C=CCC1(c2nc([C@H]3CN4CCC[C@H]4CO3)no2)CCOCC1 ZINC000333570144 527066648 /nfs/dbraw/zinc/06/66/48/527066648.db2.gz MISYWPOJTWHYMK-UONOGXRCSA-N 0 0 319.405 2.230 10 30 DEEERN C#CCO[C@@H](C)C(=O)N(CC(=O)OC(C)(C)C)c1ccccc1 ZINC000295039390 527071072 /nfs/dbraw/zinc/07/10/72/527071072.db2.gz RZCPINBEWSAYRV-AWEZNQCLSA-N 0 0 317.385 2.400 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000347749957 527094179 /nfs/dbraw/zinc/09/41/79/527094179.db2.gz JAEORWOZCVJMSF-JSGCOSHPSA-N 0 0 308.353 2.276 10 30 DEEERN C#CCOc1ccc(CNC(=O)N(C)[C@H]2C[C@@H](OC)C2)cc1 ZINC000297373552 527100927 /nfs/dbraw/zinc/10/09/27/527100927.db2.gz DPBLYPQLKCCMLC-FZNQNYSPSA-N 0 0 302.374 2.017 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)NCCc1cn(C)cn1 ZINC000413615979 527109438 /nfs/dbraw/zinc/10/94/38/527109438.db2.gz XXZUBJDBYGARKX-INIZCTEOSA-N 0 0 312.417 2.449 10 30 DEEERN C=CCCCCNC(=O)C(=O)N[C@H](C)c1c(F)cccc1OC ZINC000358986103 527142193 /nfs/dbraw/zinc/14/21/93/527142193.db2.gz QBGBHZJMJZGBAV-GFCCVEGCSA-N 0 0 322.380 2.484 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC[C@@H](C)CO ZINC000288125891 527161761 /nfs/dbraw/zinc/16/17/61/527161761.db2.gz YQSJJLXRCDMJAQ-WBVHZDCISA-N 0 0 302.418 2.329 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)Nc1cnn(C)c(=O)c1Cl ZINC000286488687 527162245 /nfs/dbraw/zinc/16/22/45/527162245.db2.gz XDBJACCJGYLNMH-ZDUSSCGKSA-N 0 0 301.777 2.480 10 30 DEEERN C=CC[C@H](CO)CNC(=O)NCCc1cccc2[nH]ccc21 ZINC000337931195 527170908 /nfs/dbraw/zinc/17/09/08/527170908.db2.gz XDJZNVTXUDRYEP-ZDUSSCGKSA-N 0 0 301.390 2.194 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCCO[C@H](C)C1 ZINC000288288602 527172176 /nfs/dbraw/zinc/17/21/76/527172176.db2.gz VRYRHTMLFSXTRG-NVXWUHKLSA-N 0 0 300.402 2.441 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000340340118 527176047 /nfs/dbraw/zinc/17/60/47/527176047.db2.gz YXYKSYPZSHPVIR-CABCVRRESA-N 0 0 310.438 2.123 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCc1cccc2[nH]ccc21 ZINC000286992756 527176980 /nfs/dbraw/zinc/17/69/80/527176980.db2.gz DKUVBHWFFRFERJ-UHFFFAOYSA-N 0 0 313.401 2.251 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1cnccc1C(C)(C)C ZINC000422508638 527177675 /nfs/dbraw/zinc/17/76/75/527177675.db2.gz KYPGFVFUGRAAHH-UHFFFAOYSA-N 0 0 317.433 2.420 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000341424015 527179057 /nfs/dbraw/zinc/17/90/57/527179057.db2.gz NMXCTKDVKPBBAO-HNNXBMFYSA-N 0 0 301.390 2.074 10 30 DEEERN C=CCCCN(C)C(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000076941943 527185161 /nfs/dbraw/zinc/18/51/61/527185161.db2.gz OEDAYLGZMNYJGN-UHFFFAOYSA-N 0 0 313.405 2.434 10 30 DEEERN C=CCCCNC(=O)C(=O)NCc1ccc(C)cc1OC(C)C ZINC000360546289 527205836 /nfs/dbraw/zinc/20/58/36/527205836.db2.gz LWAXVXUIUQPITK-UHFFFAOYSA-N 0 0 318.417 2.481 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cc(C)nn1-c1ccccc1 ZINC000448375831 527209647 /nfs/dbraw/zinc/20/96/47/527209647.db2.gz PIXUTVFYCGDAPC-UHFFFAOYSA-N 0 0 312.373 2.202 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccc2nc(OC)ccc2c1 ZINC000448317353 527211165 /nfs/dbraw/zinc/21/11/65/527211165.db2.gz GUHWUIFVBMTKHJ-UHFFFAOYSA-N 0 0 313.357 2.264 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000180594319 527267496 /nfs/dbraw/zinc/26/74/96/527267496.db2.gz JCVZHHZRUDHSQK-OLZOCXBDSA-N 0 0 305.426 2.199 10 30 DEEERN C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)CCOC ZINC000282300984 527268948 /nfs/dbraw/zinc/26/89/48/527268948.db2.gz ORDJIQQAKLVMMC-UHFFFAOYSA-N 0 0 317.349 2.122 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N1CCOC2(CCC2)C1 ZINC000337857270 527280468 /nfs/dbraw/zinc/28/04/68/527280468.db2.gz LVSBFGYAWXBVBG-UHFFFAOYSA-N 0 0 300.362 2.483 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C ZINC000341466269 527292068 /nfs/dbraw/zinc/29/20/68/527292068.db2.gz VQURYWHMTVLNKQ-MELADBBJSA-N 0 0 300.443 2.188 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N[C@H](CO)C[C@H](O)C(C)(C)C ZINC000341466267 527292360 /nfs/dbraw/zinc/29/23/60/527292360.db2.gz VQURYWHMTVLNKQ-IHRRRGAJSA-N 0 0 300.443 2.188 10 30 DEEERN C=CCn1c(C)cc(C(=O)Cn2ncc3c2ncnc3NC)c1C ZINC000194428796 527297603 /nfs/dbraw/zinc/29/76/03/527297603.db2.gz RNTAILXOMOTDFH-UHFFFAOYSA-N 0 0 324.388 2.355 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 ZINC000337866262 527317007 /nfs/dbraw/zinc/31/70/07/527317007.db2.gz QLOUVOVIOLDCTE-HUUCEWRRSA-N 0 0 322.453 2.293 10 30 DEEERN C=C[C@@H](C)NC(=O)C(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000340818563 527397950 /nfs/dbraw/zinc/39/79/50/527397950.db2.gz JFJYMKBIWDXXJY-SECBINFHSA-N 0 0 314.336 2.106 10 30 DEEERN C#Cc1ccc(CNC(=O)NCCCOC[C@H]2CCCO2)cc1 ZINC000297634166 527435483 /nfs/dbraw/zinc/43/54/83/527435483.db2.gz HLVXBOXGPCTPAO-QGZVFWFLSA-N 0 0 316.401 2.053 10 30 DEEERN C=C[C@H](C)NC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000128567445 527558088 /nfs/dbraw/zinc/55/80/88/527558088.db2.gz SLMAUVXLMUJVSF-AWEZNQCLSA-N 0 0 315.417 2.299 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N[C@H](C)c1ccccc1OC ZINC000339602967 527602599 /nfs/dbraw/zinc/60/25/99/527602599.db2.gz DBPIRGRVUKTODI-CYBMUJFWSA-N 0 0 302.374 2.073 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000189426899 527616581 /nfs/dbraw/zinc/61/65/81/527616581.db2.gz TWAIWRRCTRNNSU-NVXWUHKLSA-N 0 0 304.390 2.290 10 30 DEEERN C=CCN(CC=C)C(=O)NCCc1cnc2c(Cl)cnn2c1 ZINC000297453680 527619807 /nfs/dbraw/zinc/61/98/07/527619807.db2.gz BVJAEMMKTLGPBC-UHFFFAOYSA-N 0 0 319.796 2.309 10 30 DEEERN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000408340230 527640701 /nfs/dbraw/zinc/64/07/01/527640701.db2.gz UORULPFSWAHKMB-MGPQQGTHSA-N 0 0 305.422 2.222 10 30 DEEERN CC(C)OC(=O)CCCNC(=O)NCC1CCC(C#N)CC1 ZINC000440989788 527773963 /nfs/dbraw/zinc/77/39/63/527773963.db2.gz ONQHTRCDFUYZNB-UHFFFAOYSA-N 0 0 309.410 2.347 10 30 DEEERN CC(C)Oc1ccccc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000377676141 528246741 /nfs/dbraw/zinc/24/67/41/528246741.db2.gz PVOYRCZSWDJRPO-OAHLLOKOSA-N 0 0 313.401 2.286 10 30 DEEERN CC(C)n1ncnc1CNC(=O)C[C@H](C)N1CCCCC1=O ZINC000329022379 528689302 /nfs/dbraw/zinc/68/93/02/528689302.db2.gz UAVABDRGFXBAGD-LBPRGKRZSA-N 0 0 307.398 2.107 10 30 DEEERN CCCOc1cccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 ZINC000370974972 528732381 /nfs/dbraw/zinc/73/23/81/528732381.db2.gz WGDSLYXQDKSYFK-MRXNPFEDSA-N 0 0 313.401 2.288 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@H]1CCCN1c1ncnc2ccccc21 ZINC000358052219 529299280 /nfs/dbraw/zinc/29/92/80/529299280.db2.gz FEFRURXDUIMBJE-CZUORRHYSA-N 0 0 323.400 2.407 10 30 DEEERN CC(C)Oc1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)c(F)c1 ZINC000359718746 535011788 /nfs/dbraw/zinc/01/17/88/535011788.db2.gz QTCBEXBHIOAATA-JTQLQIEISA-N 0 0 317.324 2.276 10 30 DEEERN Cc1cc(C(=O)OCC2(C#N)CCOCC2)cc([N+](=O)[O-])c1 ZINC000183916308 625321045 /nfs/dbraw/zinc/32/10/45/625321045.db2.gz ULFZXBLZWXGJGU-UHFFFAOYSA-N 0 0 304.302 2.380 10 30 DEEERN N#C[C@H](OC(=O)c1cc(N2CCCC2=O)ccc1F)C1CC1 ZINC000177034765 625619044 /nfs/dbraw/zinc/61/90/44/625619044.db2.gz BROTZQDCVDWHAR-AWEZNQCLSA-N 0 0 302.305 2.411 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)NCC2(C(F)(F)F)CC2)c1 ZINC000807364169 623243935 /nfs/dbraw/zinc/24/39/35/623243935.db2.gz AAQQAASMGDQUTA-UHFFFAOYSA-N 0 0 310.275 2.065 10 30 DEEERN C=CCc1cc(C(=O)NCC2(CCO)CC2)cc(OC)c1OC ZINC000187953642 624146724 /nfs/dbraw/zinc/14/67/24/624146724.db2.gz XMMZVHZGRMPHSE-UHFFFAOYSA-N 0 0 319.401 2.325 10 30 DEEERN C#CC[C@@H](OC(=O)/C=C\c1cncc(C(=O)NC)c1)C(C)C ZINC000255775560 625715633 /nfs/dbraw/zinc/71/56/33/625715633.db2.gz SGMKWYBECFVEPN-ZPIQOJFGSA-N 0 0 300.358 2.046 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)/C=C\c1ccnc(Cl)c1 ZINC000255391482 624558342 /nfs/dbraw/zinc/55/83/42/624558342.db2.gz ARDPTGMMTZRKPH-WAYWQWQTSA-N 0 0 308.765 2.326 10 30 DEEERN N#Cc1ccc2ncc(/C=C3/CCc4[nH]c(=O)ccc4C3=O)n2c1 ZINC000178331365 624603472 /nfs/dbraw/zinc/60/34/72/624603472.db2.gz NWCQNQPZUAISDS-GHXNOFRVSA-N 0 0 316.320 2.107 10 30 DEEERN Cc1c(C(=O)OC2(C#N)CN(C(=O)OC(C)(C)C)C2)ccn1C ZINC000195019691 625765294 /nfs/dbraw/zinc/76/52/94/625765294.db2.gz DLJJYXAFWWYIGO-UHFFFAOYSA-N 0 0 319.361 2.003 10 30 DEEERN COc1ccc(C(=O)NCC(=O)OCC(C)(C)CCC#N)cc1 ZINC000195038717 625767026 /nfs/dbraw/zinc/76/70/26/625767026.db2.gz GUECHOFZEJQZMC-UHFFFAOYSA-N 0 0 318.373 2.298 10 30 DEEERN CS(=O)(=O)c1ccc(NN=Cc2c[nH]c3ncccc23)cc1 ZINC000741760991 633227370 /nfs/dbraw/zinc/22/73/70/633227370.db2.gz GOXWHAWAYPXSDZ-UHFFFAOYSA-N 0 0 314.370 2.412 10 30 DEEERN C#CCCNC(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000733623356 633246262 /nfs/dbraw/zinc/24/62/62/633246262.db2.gz LQLWTXXIXOLZQR-GJZGRUSLSA-N 0 0 315.417 2.441 10 30 DEEERN CNC(=O)c1cccc(COC(=O)c2sccc2C#N)c1 ZINC000733824215 633286122 /nfs/dbraw/zinc/28/61/22/633286122.db2.gz MWCLSWSCUFAURZ-UHFFFAOYSA-N 0 0 300.339 2.336 10 30 DEEERN C=C(COC(=O)Cc1c(C)nn(CC(C)C)c1C)C(=O)OCC ZINC000734026331 633311975 /nfs/dbraw/zinc/31/19/75/633311975.db2.gz KYFALOGREGWMMZ-UHFFFAOYSA-N 0 0 322.405 2.361 10 30 DEEERN C=C(COC(=O)CSc1cccc(OC)c1)C(=O)OCC ZINC000734029287 633312850 /nfs/dbraw/zinc/31/28/50/633312850.db2.gz KVGRQGZFPWXWSE-UHFFFAOYSA-N 0 0 310.371 2.450 10 30 DEEERN C=C(COC(=O)Cc1cn(C)c2ccccc12)C(=O)OCC ZINC000734028060 633312900 /nfs/dbraw/zinc/31/29/00/633312900.db2.gz CZIDEUZPIIFUBW-UHFFFAOYSA-N 0 0 301.342 2.383 10 30 DEEERN C=C(COC(=O)c1cc2ccccc2n1CC#N)C(=O)OCC ZINC000734032725 633313764 /nfs/dbraw/zinc/31/37/64/633313764.db2.gz MFSLXXQEWDHSQP-UHFFFAOYSA-N 0 0 312.325 2.441 10 30 DEEERN C=C(COC(=O)c1ccc(F)cc1NC(C)=O)C(=O)OCC ZINC000734030285 633313777 /nfs/dbraw/zinc/31/37/77/633313777.db2.gz XKGVAPHMRKBXED-UHFFFAOYSA-N 0 0 309.293 2.060 10 30 DEEERN C=C(COC(=O)C[C@@H]1OCCc2ccccc21)C(=O)OCC ZINC000734607887 633406343 /nfs/dbraw/zinc/40/63/43/633406343.db2.gz RCMRRBCEMGKUPC-HNNXBMFYSA-N 0 0 304.342 2.353 10 30 DEEERN C=CCNC(=O)[C@@H](C)OC(=O)/C=C\c1ccnc2ccccc12 ZINC000735554124 633518553 /nfs/dbraw/zinc/51/85/53/633518553.db2.gz OZIZJXZGQXDTBV-LJTDUEICSA-N 0 0 310.353 2.482 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)/C=C/c1ccnc2ccccc12 ZINC000735554126 633518610 /nfs/dbraw/zinc/51/86/10/633518610.db2.gz OZIZJXZGQXDTBV-XEHSLEBBSA-N 0 0 310.353 2.482 10 30 DEEERN CC#CCCCC(=O)OCCn1cnc2ccsc2c1=O ZINC000186308440 634123506 /nfs/dbraw/zinc/12/35/06/634123506.db2.gz OTVFMLIWHGXZRO-UHFFFAOYSA-N 0 0 304.371 2.195 10 30 DEEERN C#CCOc1ccccc1[C@@H](C)OC(=O)COC[C@@H]1CCCO1 ZINC000073532791 634141860 /nfs/dbraw/zinc/14/18/60/634141860.db2.gz OTVMWRMAHFYRHK-CABCVRRESA-N 0 0 318.369 2.498 10 30 DEEERN CC1(C)CCCN1C(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000163118720 636142188 /nfs/dbraw/zinc/14/21/88/636142188.db2.gz OGVRHOUZJKOYPD-UHFFFAOYSA-N 0 0 319.336 2.068 10 30 DEEERN C[C@H](C[C@H](O)c1cccs1)NC(=O)c1cc(C#N)cn1C ZINC000178838147 636370555 /nfs/dbraw/zinc/37/05/55/636370555.db2.gz OKMVYZHTDOLSSH-MFKMUULPSA-N 0 0 303.387 2.200 10 30 DEEERN N#Cc1ccc(C(=O)NCC(=O)OCCc2ccccc2)cc1 ZINC000727009906 637563594 /nfs/dbraw/zinc/56/35/94/637563594.db2.gz DTICYIXHFOMOHI-UHFFFAOYSA-N 0 0 308.337 2.074 10 30 DEEERN CC1(C)CCCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 ZINC000742413789 638070680 /nfs/dbraw/zinc/07/06/80/638070680.db2.gz IHFXSNMFAHZQJF-UHFFFAOYSA-N 0 0 307.419 2.222 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@H]2C[C@H]2C2CCCCC2)CCN1C1CC1 ZINC000743643226 638164417 /nfs/dbraw/zinc/16/44/17/638164417.db2.gz XGNRRYBIVYMXOB-IKGGRYGDSA-N 0 0 316.449 2.337 10 30 DEEERN C#CCCCNC(=O)N[C@@H](Cc1nccn1C)c1ccccc1 ZINC000743692122 638167893 /nfs/dbraw/zinc/16/78/93/638167893.db2.gz RCPCBCKBXYSIHZ-INIZCTEOSA-N 0 0 310.401 2.417 10 30 DEEERN C=C(C)CCOC(=O)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000744304093 638207799 /nfs/dbraw/zinc/20/77/99/638207799.db2.gz DKISZVMHERDAOU-UHFFFAOYSA-N 0 0 311.403 2.173 10 30 DEEERN COc1ccc(CNC(=O)NCCCOC(C)C)cc1C#N ZINC000746703122 638370409 /nfs/dbraw/zinc/37/04/09/638370409.db2.gz XRFSSBLGFSMMOJ-UHFFFAOYSA-N 0 0 305.378 2.181 10 30 DEEERN C=C(Br)CNC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746717585 638372552 /nfs/dbraw/zinc/37/25/52/638372552.db2.gz YHPFVHSFXTZRNQ-UHFFFAOYSA-N 0 0 324.178 2.275 10 30 DEEERN COc1ccc(CNC(=O)N[C@@H](C)Cc2ccncc2)cc1C#N ZINC000746734376 638373279 /nfs/dbraw/zinc/37/32/79/638373279.db2.gz RNFAQMWNVTUIGD-ZDUSSCGKSA-N 0 0 324.384 2.392 10 30 DEEERN COc1ccc(CNC(=O)N2CCSC[C@@H]2C)cc1C#N ZINC000746772268 638376423 /nfs/dbraw/zinc/37/64/23/638376423.db2.gz JTIXAJSWSJMLLS-NSHDSACASA-N 0 0 305.403 2.214 10 30 DEEERN C=CCOCC(=O)OCc1ccccc1OC[C@H]1CCCO1 ZINC000747146240 638411534 /nfs/dbraw/zinc/41/15/34/638411534.db2.gz AESZKJKLBGHDBY-OAHLLOKOSA-N 0 0 306.358 2.490 10 30 DEEERN CC[C@@H]1CO[C@@H](C)CN1C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747421670 638436833 /nfs/dbraw/zinc/43/68/33/638436833.db2.gz HJZIHMQGYVVKFY-SWLSCSKDSA-N 0 0 317.389 2.276 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1ccc(OC)c(O)c1 ZINC000748203197 638528021 /nfs/dbraw/zinc/52/80/21/638528021.db2.gz XHHVUNWXTRKMNF-LBPRGKRZSA-N 0 0 319.357 2.147 10 30 DEEERN C=CCCCC(=O)OCC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 ZINC000748235864 638533050 /nfs/dbraw/zinc/53/30/50/638533050.db2.gz OZOVWTDTSVXMGN-GFCCVEGCSA-N 0 0 305.378 2.114 10 30 DEEERN N#Cc1ccc(C(=O)COC(=O)Cn2ncc3ccccc32)cc1 ZINC000748277676 638536507 /nfs/dbraw/zinc/53/65/07/638536507.db2.gz SRPLVGDXHPTXJY-UHFFFAOYSA-N 0 0 319.320 2.334 10 30 DEEERN N#Cc1cccc(CC(=O)NC[C@H]2COc3ccccc3C2)c1 ZINC000749317502 638633711 /nfs/dbraw/zinc/63/37/11/638633711.db2.gz HXMLSTMJDOZHTO-INIZCTEOSA-N 0 0 306.365 2.468 10 30 DEEERN COCC(=O)Nc1ccc(OC(=O)Cc2cccc(C#N)c2)cc1 ZINC000749391025 638643095 /nfs/dbraw/zinc/64/30/95/638643095.db2.gz UGCLJDRREUOTIG-UHFFFAOYSA-N 0 0 324.336 2.291 10 30 DEEERN N#Cc1ccc(NCCNC(=O)N2C[C@H]3CCCC[C@@H]3C2)nc1 ZINC000750277624 638731289 /nfs/dbraw/zinc/73/12/89/638731289.db2.gz CAJVIBGTUBYFNG-HUUCEWRRSA-N 0 0 313.405 2.197 10 30 DEEERN C[C@H]1C[C@H](C)CN(C(=O)COC(=O)Cc2cccc(C#N)c2)C1 ZINC000750431677 638743747 /nfs/dbraw/zinc/74/37/47/638743747.db2.gz VUKAGANQTCQYEN-KBPBESRZSA-N 0 0 314.385 2.148 10 30 DEEERN CC(C)[C@H](OC(=O)Cc1cccc(C#N)c1)C(=O)N1CCCC1 ZINC000750430564 638744022 /nfs/dbraw/zinc/74/40/22/638744022.db2.gz OWMRABZIPQYIHF-KRWDZBQOSA-N 0 0 314.385 2.291 10 30 DEEERN CNC(=O)c1cccc(COC(=O)Cc2cccc(C#N)c2)c1 ZINC000750434171 638744955 /nfs/dbraw/zinc/74/49/55/638744955.db2.gz PBJMXAKDZDLUCJ-UHFFFAOYSA-N 0 0 308.337 2.204 10 30 DEEERN N#Cc1cccc(CC(=O)O[C@@H]2CCN(c3ccccc3)C2=O)c1 ZINC000750433546 638745040 /nfs/dbraw/zinc/74/50/40/638745040.db2.gz BJIVNFZCOJLEDR-QGZVFWFLSA-N 0 0 320.348 2.449 10 30 DEEERN C#CCCNC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000750613886 639008515 /nfs/dbraw/zinc/00/85/15/639008515.db2.gz HGZVYDCQRGFTQJ-FQEVSTJZSA-N 0 0 304.293 2.459 10 30 DEEERN C#CCSCCNC(=O)c1ccnc(N2CC[C@@H](C)C2)c1 ZINC000752416177 639182617 /nfs/dbraw/zinc/18/26/17/639182617.db2.gz GIPAABJJUAWKAE-CYBMUJFWSA-N 0 0 303.431 2.024 10 30 DEEERN C=C(COC(=O)c1ccnc(N2CC[C@@H](C)C2)c1)C(=O)OCC ZINC000752600050 639202169 /nfs/dbraw/zinc/20/21/69/639202169.db2.gz KEZAUYJBKTXRAR-GFCCVEGCSA-N 0 0 318.373 2.204 10 30 DEEERN C#CCCCS(=O)(=O)N1CCN(c2ccccc2)C[C@@H]1CC ZINC000805063386 639431307 /nfs/dbraw/zinc/43/13/07/639431307.db2.gz NRNYLSVXNWPSFU-INIZCTEOSA-N 0 0 320.458 2.330 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@]1(C)CCOC1 ZINC000805110610 639753420 /nfs/dbraw/zinc/75/34/20/639753420.db2.gz BCDKTTYSFZSFKS-AEFFLSMTSA-N 0 0 300.402 2.347 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1cccc(C)c1C(=O)OC)C(C)(C)C ZINC000805147423 639841673 /nfs/dbraw/zinc/84/16/73/639841673.db2.gz XFNLYXVEWWVTHH-CYBMUJFWSA-N 0 0 323.414 2.108 10 30 DEEERN CC(C)[C@H](OC(=O)CCc1ccc(C#N)cc1)C(=O)N(C)C ZINC000729706358 640829223 /nfs/dbraw/zinc/82/92/23/640829223.db2.gz UUELEPRHOZFDTM-INIZCTEOSA-N 0 0 302.374 2.147 10 30 DEEERN C#CC[C@H](OC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)c1ccccn1 ZINC000729799102 640842566 /nfs/dbraw/zinc/84/25/66/640842566.db2.gz ZGBMCPVOUBRAJZ-ZBFHGGJFSA-N 0 0 314.385 2.194 10 30 DEEERN CC(C)(C)n1cc(C(=O)C(=O)OCCCSCC#N)cn1 ZINC000805413324 641429418 /nfs/dbraw/zinc/42/94/18/641429418.db2.gz SIJYMPMAUTURQW-UHFFFAOYSA-N 0 0 309.391 2.011 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCOCC1 ZINC000805784575 643255803 /nfs/dbraw/zinc/25/58/03/643255803.db2.gz OWVYDHLXFJQOPP-SJORKVTESA-N 0 0 300.402 2.489 10 30 DEEERN C#C[C@H](C)OC(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000805886554 643716610 /nfs/dbraw/zinc/71/66/10/643716610.db2.gz DAKWGFHWIFUOLS-SOUVJXGZSA-N 0 0 301.386 2.474 10 30 DEEERN C=C(C)[C@@H](CC(=O)O[C@H](C)C(=O)NCc1ccccn1)OCC ZINC000805953079 643941867 /nfs/dbraw/zinc/94/18/67/643941867.db2.gz JGHFSWOUHZVKIT-UKRRQHHQSA-N 0 0 320.389 2.001 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000800780948 645303439 /nfs/dbraw/zinc/30/34/39/645303439.db2.gz OTMFODLQPCZNNI-HIFRSBDPSA-N 0 0 314.437 2.154 10 30 DEEERN CC#CC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000801132267 645343800 /nfs/dbraw/zinc/34/38/00/645343800.db2.gz AZLFJQMLYJLAGR-UHFFFAOYSA-N 0 0 311.307 2.209 10 30 DEEERN CC#CC(=O)N1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000801177036 645349144 /nfs/dbraw/zinc/34/91/44/645349144.db2.gz CWGUYDIVCYWKGI-MAUKXSAKSA-N 0 0 313.445 2.472 10 30 DEEERN C[C@H](C#N)OCCOC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000801852158 645450504 /nfs/dbraw/zinc/45/05/04/645450504.db2.gz CQGPTWLHPSPMIT-GFCCVEGCSA-N 0 0 314.341 2.345 10 30 DEEERN C#CCN1CCN(c2nnc(CCC(C)C)n2CC(C)C)CC1 ZINC000802670385 645543509 /nfs/dbraw/zinc/54/35/09/645543509.db2.gz DENUXSBBDFETOQ-UHFFFAOYSA-N 0 0 317.481 2.278 10 30 DEEERN C#CCCCCCC(=O)N1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000803234794 645620445 /nfs/dbraw/zinc/62/04/45/645620445.db2.gz QGGYADXKMPZDCD-CQSZACIVSA-N 0 0 300.406 2.349 10 30 DEEERN CC[S@@](=O)CC(=O)OCc1cc(Cl)ccc1OCC#N ZINC000803477294 645658866 /nfs/dbraw/zinc/65/88/66/645658866.db2.gz XQPIPGMAAJMUFO-HXUWFJFHSA-N 0 0 315.778 2.054 10 30 DEEERN C#CCOc1ccc(C(=O)N2CCCCC[C@H]2CCO)cc1 ZINC000803621799 645676144 /nfs/dbraw/zinc/67/61/44/645676144.db2.gz NHTVLMIJEXNNHI-INIZCTEOSA-N 0 0 301.386 2.466 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N1c2ccccc2C[C@@H]1C ZINC000803697652 645680878 /nfs/dbraw/zinc/68/08/78/645680878.db2.gz MYBXXOCFADWABS-AWEZNQCLSA-N 0 0 309.365 2.170 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N(C)[C@H](C)c1ccccc1 ZINC000803699358 645681484 /nfs/dbraw/zinc/68/14/84/645681484.db2.gz AGXISLHBAXETHO-OAHLLOKOSA-N 0 0 311.381 2.412 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](CC)C(=O)NCc1ccccc1 ZINC000803699730 645681504 /nfs/dbraw/zinc/68/15/04/645681504.db2.gz OARRRFIRGCXUHU-KRWDZBQOSA-N 0 0 311.381 2.287 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000803698952 645681832 /nfs/dbraw/zinc/68/18/32/645681832.db2.gz KIISOSFMWMBTDE-HOCLYGCPSA-N 0 0 303.402 2.372 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000803700456 645682570 /nfs/dbraw/zinc/68/25/70/645682570.db2.gz QQFFWEODEMUUSE-UHFFFAOYSA-N 0 0 316.269 2.209 10 30 DEEERN C=CCN1CC[C@@H](OC(=O)c2[nH]c3ccccc3c2OC)C1=O ZINC000803816150 645700571 /nfs/dbraw/zinc/70/05/71/645700571.db2.gz LCHLRYBJMPGULF-CYBMUJFWSA-N 0 0 314.341 2.120 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cccc2n[nH]nc21 ZINC000804451958 645773150 /nfs/dbraw/zinc/77/31/50/645773150.db2.gz BECPQNJQQRQSLU-AWEZNQCLSA-N 0 0 304.353 2.322 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1ccnc2[nH]cnc21 ZINC000804455835 645773919 /nfs/dbraw/zinc/77/39/19/645773919.db2.gz LVZYMXKMDVQFCD-CQSZACIVSA-N 0 0 304.353 2.322 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Cc1ncccc1OC ZINC000804454380 645773983 /nfs/dbraw/zinc/77/39/83/645773983.db2.gz QEQGBROXRPWZEM-INIZCTEOSA-N 0 0 308.381 2.384 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000804454609 645774078 /nfs/dbraw/zinc/77/40/78/645774078.db2.gz ROMWKDHLZFBWKE-BRWVUGGUSA-N 0 0 312.413 2.029 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cnn2ccc(C)nc12 ZINC000804460259 645775214 /nfs/dbraw/zinc/77/52/14/645775214.db2.gz WOCUUUPUYSWABY-INIZCTEOSA-N 0 0 318.380 2.402 10 30 DEEERN CC(C)[C@H](C#N)OC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 ZINC000121557073 651054424 /nfs/dbraw/zinc/05/44/24/651054424.db2.gz ZQNMVXBKCZDUFF-MRZGDXHCSA-N 0 0 322.386 2.163 10 30 DEEERN C#Cc1cncc(C(=O)N(C)Cc2cc(OC)cc(OC)c2)c1 ZINC000806426623 645830261 /nfs/dbraw/zinc/83/02/61/645830261.db2.gz KIGNEVLMVWWYLV-UHFFFAOYSA-N 0 0 310.353 2.352 10 30 DEEERN C#CCC(CC#C)C(=O)NCCNc1ccc(C(F)(F)F)cn1 ZINC000806437227 645830771 /nfs/dbraw/zinc/83/07/71/645830771.db2.gz KVQWPDXLHBYXNN-UHFFFAOYSA-N 0 0 323.318 2.291 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)NCCCc1c(C)noc1C ZINC000806478413 645834756 /nfs/dbraw/zinc/83/47/56/645834756.db2.gz TVWLITLORBMYBX-GFCCVEGCSA-N 0 0 321.421 2.201 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000806523133 645840593 /nfs/dbraw/zinc/84/05/93/645840593.db2.gz BCYXTYUUPHORNC-CYBMUJFWSA-N 0 0 301.308 2.219 10 30 DEEERN C#Cc1cncc(C(=O)Nc2ccc(OC)c(OC)c2OC)c1 ZINC000806773167 645870206 /nfs/dbraw/zinc/87/02/06/645870206.db2.gz GCFULYGGGIFWHB-UHFFFAOYSA-N 0 0 312.325 2.341 10 30 DEEERN C#Cc1cncc(C(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000806816828 645875597 /nfs/dbraw/zinc/87/55/97/645875597.db2.gz NMENYWBQYKBLAM-CQSZACIVSA-N 0 0 321.384 2.009 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000806846099 645878343 /nfs/dbraw/zinc/87/83/43/645878343.db2.gz CCYNIVBFKRNSJM-UHFFFAOYSA-N 0 0 311.341 2.181 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](CCO)CSC ZINC000806849086 645879602 /nfs/dbraw/zinc/87/96/02/645879602.db2.gz OKPDMAHFCVPUHR-HZPDHXFCSA-N 0 0 320.458 2.034 10 30 DEEERN C#CCCCNC(=O)N(CC(=O)N1CCCCCC1)C(C)C ZINC000806877375 645882765 /nfs/dbraw/zinc/88/27/65/645882765.db2.gz WDMJRRJGATZAAG-UHFFFAOYSA-N 0 0 307.438 2.222 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000807189247 645921472 /nfs/dbraw/zinc/92/14/72/645921472.db2.gz SEIOWGWFKBBEFP-HNNXBMFYSA-N 0 0 303.402 2.087 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC1(COC)CCC1 ZINC000807471184 645955509 /nfs/dbraw/zinc/95/55/09/645955509.db2.gz ZHIIKRRXCKRWKT-INIZCTEOSA-N 0 0 300.402 2.489 10 30 DEEERN C=CCS(=O)(=O)NCCCn1ncc2c1cccc2Cl ZINC000223421857 646494590 /nfs/dbraw/zinc/49/45/90/646494590.db2.gz PIDDGNXNYLBTNU-UHFFFAOYSA-N 0 0 313.810 2.185 10 30 DEEERN C[C@H](C(=O)[C@H](C#N)c1nnc2n1CCCCC2)C1CCOCC1 ZINC000165671207 646504789 /nfs/dbraw/zinc/50/47/89/646504789.db2.gz CMKBCLAPMYMQLN-JSGCOSHPSA-N 0 0 316.405 2.243 10 30 DEEERN C#CCOCCC(=O)OCCCNc1ncnc2ccccc21 ZINC000166959619 646541547 /nfs/dbraw/zinc/54/15/47/646541547.db2.gz YISGGZDYRZGJBE-UHFFFAOYSA-N 0 0 313.357 2.015 10 30 DEEERN CCN(C[C@@H](C)C#N)Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000171064212 646684545 /nfs/dbraw/zinc/68/45/45/646684545.db2.gz XETJRVWEVMCFOP-ZDUSSCGKSA-N 0 0 314.364 2.488 10 30 DEEERN N#C[C@@H](COC(=O)C[C@@H]1COC(=O)C1)Cc1ccc(F)cc1 ZINC000151960660 647060927 /nfs/dbraw/zinc/06/09/27/647060927.db2.gz RQXMIILSPHWWDS-OLZOCXBDSA-N 0 0 305.305 2.004 10 30 DEEERN C=CCC[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC000089311882 647255526 /nfs/dbraw/zinc/25/55/26/647255526.db2.gz DLNXLYAMCWIROE-JTQLQIEISA-N 0 0 315.391 2.350 10 30 DEEERN C=C1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)CC1 ZINC000731052321 647443022 /nfs/dbraw/zinc/44/30/22/647443022.db2.gz KJNFCSRNYGWUEL-UHFFFAOYSA-N 0 0 314.385 2.371 10 30 DEEERN CC[C@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CCN1CC(F)F ZINC000153533121 647501316 /nfs/dbraw/zinc/50/13/16/647501316.db2.gz PPELZJGWIRXLNU-HOTGVXAUSA-N 0 0 323.387 2.253 10 30 DEEERN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H](C)Cc1ccccc1 ZINC000732583946 647627343 /nfs/dbraw/zinc/62/73/43/647627343.db2.gz JBLRYZJTKFLPPY-KBXCAEBGSA-N 0 0 316.401 2.463 10 30 DEEERN CC(C)Oc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000732648215 647635825 /nfs/dbraw/zinc/63/58/25/647635825.db2.gz AMMOJIVJEWTJQN-INIZCTEOSA-N 0 0 313.401 2.286 10 30 DEEERN N#C[C@H]1CN(C(=O)CCc2ccc(Cl)cc2)CCN1C1CC1 ZINC000732652318 647637368 /nfs/dbraw/zinc/63/73/68/647637368.db2.gz VQFJVVMXXKVHGZ-INIZCTEOSA-N 0 0 317.820 2.471 10 30 DEEERN CC[C@@H](Nc1ccccc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732677938 647638312 /nfs/dbraw/zinc/63/83/12/647638312.db2.gz GIQNSQRUXWZRJM-IAGOWNOFSA-N 0 0 312.417 2.076 10 30 DEEERN C#CCN1CCN(C(=O)c2[nH]c3ccc(F)cc3c2Cl)CC1 ZINC000733161498 647895325 /nfs/dbraw/zinc/89/53/25/647895325.db2.gz VEVBPSUZHZBLTP-UHFFFAOYSA-N 0 0 319.767 2.351 10 30 DEEERN COCCCNC(=O)C(C#N)=C(O)C(C)=Cc1ccc(F)cc1 ZINC000175094929 648332317 /nfs/dbraw/zinc/33/23/17/648332317.db2.gz MSDQZWYJVXPJBI-HBIYDYFMSA-N 0 0 318.348 2.091 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)c1cccc(F)c1OCC ZINC000175166459 648334855 /nfs/dbraw/zinc/33/48/55/648334855.db2.gz RVMMEUPRSWPGQB-UHFFFAOYSA-N 0 0 309.337 2.416 10 30 DEEERN CCN1C[C@H](COC(=O)c2ccc(C3(C#N)CC3)cc2)CC1=O ZINC000180055993 648453145 /nfs/dbraw/zinc/45/31/45/648453145.db2.gz HFXRUXHHHAIIFK-CYBMUJFWSA-N 0 0 312.369 2.267 10 30 DEEERN C=C[C@@H](CC)OC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000181241319 648590531 /nfs/dbraw/zinc/59/05/31/648590531.db2.gz OLFOMMMVTVFNEW-AWEZNQCLSA-N 0 0 301.342 2.457 10 30 DEEERN N#CC(C(=O)N1CCCC1)=C(O)C=Cc1ccnc(Cl)c1 ZINC000181247973 648592453 /nfs/dbraw/zinc/59/24/53/648592453.db2.gz KQJHRKQQFNOIQF-AAOUONPWSA-N 0 0 303.749 2.079 10 30 DEEERN C=CCCO[C@@H](C)C(=O)[C@H](C#N)c1nnc2n1CCCCC2 ZINC000069345817 648594822 /nfs/dbraw/zinc/59/48/22/648594822.db2.gz SDECQSRLJYRKOY-STQMWFEESA-N 0 0 302.378 2.162 10 30 DEEERN C#CC[C@H](OC(=O)c1ccnc(O[C@@H]2CCOC2)c1)C1CC1 ZINC000183655573 649130317 /nfs/dbraw/zinc/13/03/17/649130317.db2.gz RHWYJSDLHOOVFK-CABCVRRESA-N 0 0 301.342 2.208 10 30 DEEERN C#CCCCCCOC(=O)/C=C/c1cncc(C(=O)NC)c1 ZINC000185323061 649497438 /nfs/dbraw/zinc/49/74/38/649497438.db2.gz IZHIZQQAYQRSRO-CMDGGOBGSA-N 0 0 300.358 2.191 10 30 DEEERN C#CCC(C)(C)COC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000185354554 649507535 /nfs/dbraw/zinc/50/75/35/649507535.db2.gz RWVTWUQRMHFLPQ-UHFFFAOYSA-N 0 0 303.358 2.018 10 30 DEEERN CCOCCCNC(=O)[C@@H](C#N)C(=O)[C@H](C)Cc1ccccc1 ZINC000112148750 652677415 /nfs/dbraw/zinc/67/74/15/652677415.db2.gz NIHUQVQVYFGWAL-ZBFHGGJFSA-N 0 0 316.401 2.117 10 30 DEEERN C[C@H](NC(=O)c1ccco1)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000041496957 683890428 /nfs/dbraw/zinc/89/04/28/683890428.db2.gz BUMTUGIHSUNKOQ-QWRGUYRKSA-N 0 0 322.324 2.151 10 30 DEEERN CC(C)[C@H](C#N)OC(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000080382541 683981948 /nfs/dbraw/zinc/98/19/48/683981948.db2.gz HQLYKQZXCHMHGA-AWEZNQCLSA-N 0 0 307.394 2.006 10 30 DEEERN C[C@H]1COCCN1c1ccc(NC(=O)c2cc(C#N)cn2C)cc1 ZINC000081547745 683992825 /nfs/dbraw/zinc/99/28/25/683992825.db2.gz ULNRHAWHHYESSL-ZDUSSCGKSA-N 0 0 324.384 2.374 10 30 DEEERN CC[C@@H](C#N)OC(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000084708374 684005656 /nfs/dbraw/zinc/00/56/56/684005656.db2.gz XLYLQYUVDKFJDS-HNNXBMFYSA-N 0 0 300.358 2.384 10 30 DEEERN CCC(=O)N1CC[C@H](C(=O)OC[C@H](C#N)Cc2cccs2)C1 ZINC000089294833 684021562 /nfs/dbraw/zinc/02/15/62/684021562.db2.gz NYTTXITWEPOKDG-STQMWFEESA-N 0 0 320.414 2.232 10 30 DEEERN COC(=O)CCCCCCCNC(=O)c1cc(C#N)cn1C ZINC000119689467 684086021 /nfs/dbraw/zinc/08/60/21/684086021.db2.gz KNEGPOGYQMHRJD-UHFFFAOYSA-N 0 0 305.378 2.140 10 30 DEEERN C#CCCCCC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000120067760 684091250 /nfs/dbraw/zinc/09/12/50/684091250.db2.gz PJZOQZGITHSNQR-AWEZNQCLSA-N 0 0 311.385 2.095 10 30 DEEERN C[C@H](C#N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000125187137 684142682 /nfs/dbraw/zinc/14/26/82/684142682.db2.gz FSFUOLMVVANCDK-TZMCWYRMSA-N 0 0 317.389 2.151 10 30 DEEERN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cnn3c2CCCC3)c1 ZINC000125608350 684147325 /nfs/dbraw/zinc/14/73/25/684147325.db2.gz AXGHWEBVGFVGFI-AWEZNQCLSA-N 0 0 322.368 2.489 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N[C@@H](C#N)C2CC2)C1 ZINC000126963713 684158722 /nfs/dbraw/zinc/15/87/22/684158722.db2.gz CFGNAKCMZMJVSN-AAEUAGOBSA-N 0 0 307.394 2.052 10 30 DEEERN Cn1nccc1CCC(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000127341716 684162495 /nfs/dbraw/zinc/16/24/95/684162495.db2.gz YYKCKRYOYVYHJR-GFCCVEGCSA-N 0 0 303.387 2.340 10 30 DEEERN C[C@H](OC(=O)C1CCN(C(=O)N2CCCC2)CC1)C(C)(C)C#N ZINC000131676442 684201266 /nfs/dbraw/zinc/20/12/66/684201266.db2.gz YCCUHINVZXOCQA-ZDUSSCGKSA-N 0 0 321.421 2.396 10 30 DEEERN C#CC[C@H](OC(=O)CCc1nc(-c2ccncc2)no1)C1CC1 ZINC000132629395 684211485 /nfs/dbraw/zinc/21/14/85/684211485.db2.gz WKBDDQMOOKBGKE-AWEZNQCLSA-N 0 0 311.341 2.409 10 30 DEEERN CNC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000132679515 684212381 /nfs/dbraw/zinc/21/23/81/684212381.db2.gz ZDAGHDJNMPHFPE-SKDRFNHKSA-N 0 0 323.190 2.398 10 30 DEEERN N#C[C@@H]1CCCN(S(=O)(=O)c2cccc3ncccc32)C1 ZINC000163235101 684330931 /nfs/dbraw/zinc/33/09/31/684330931.db2.gz YXLIVGBBPLQDPM-LBPRGKRZSA-N 0 0 301.371 2.159 10 30 DEEERN C=C[C@@](C)(CCOC)COC(=O)COc1c(C)nn(C)c1C ZINC000187532545 684340009 /nfs/dbraw/zinc/34/00/09/684340009.db2.gz GOUHQRLDCIYFSH-INIZCTEOSA-N 0 0 310.394 2.188 10 30 DEEERN C#Cc1cccc(N(CC)C(=O)c2nn(CC)cc2[N+](=O)[O-])c1 ZINC000191598745 684433022 /nfs/dbraw/zinc/43/30/22/684433022.db2.gz VKODBSILKCGUSL-UHFFFAOYSA-N 0 0 312.329 2.459 10 30 DEEERN CC[C@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CCN1CC(F)F ZINC000245758858 685117818 /nfs/dbraw/zinc/11/78/18/685117818.db2.gz PPELZJGWIRXLNU-JKSUJKDBSA-N 0 0 323.387 2.253 10 30 DEEERN CC(=O)N1C[C@@H](Nc2ncccc2C#N)CC[C@H]1C(F)(F)F ZINC000886039210 691990208 /nfs/dbraw/zinc/99/02/08/691990208.db2.gz WSWBGYPWFIHPIT-RYUDHWBXSA-N 0 0 312.295 2.307 10 30 DEEERN C[N+](C)(C)c1ccc(C=Nc2cccc3c(=O)[nH][n-]c(=O)c23)cc1 ZINC000108916704 717147642 /nfs/dbraw/zinc/14/76/42/717147642.db2.gz XDMFZIGZQISUSB-ODLFYWEKSA-O 0 0 323.376 2.164 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Oc1cccc(N2CCCC2=O)c1 ZINC000176583394 782645311 /nfs/dbraw/zinc/64/53/11/782645311.db2.gz SSXMZJYNEXFDSP-UHFFFAOYSA-N 0 0 309.325 2.243 10 30 DEEERN COc1ccc(C=C(C)C(O)=C(C#N)C(=O)NC2CC2)cc1F ZINC000588447668 777209957 /nfs/dbraw/zinc/20/99/57/777209957.db2.gz NPOGHGILKAZIQU-PGJNLMOESA-N 0 0 316.332 2.225 10 30 DEEERN C[C@@H](CNC(=O)/C=C\c1ccccc1C#N)N1CCCCC1=O ZINC000588614192 777598857 /nfs/dbraw/zinc/59/88/57/777598857.db2.gz PLXKCFJEQHPRTL-CMUBDUJZSA-N 0 0 311.385 2.089 10 30 DEEERN C#Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)nc1 ZINC000728804504 778460181 /nfs/dbraw/zinc/46/01/81/778460181.db2.gz IDNRJUMBQIXNIL-CYBMUJFWSA-N 0 0 317.352 2.135 10 30 DEEERN C#Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)cn1 ZINC000728810483 778476438 /nfs/dbraw/zinc/47/64/38/778476438.db2.gz RSWKLGLXLSHFQT-CVEARBPZSA-N 0 0 316.426 2.190 10 30 DEEERN CC(C)(O)[C@H]1CCN(c2ncc(Br)cc2C#N)C1 ZINC000721837941 779349226 /nfs/dbraw/zinc/34/92/26/779349226.db2.gz NKMZCUICPAXXIP-JTQLQIEISA-N 0 0 310.195 2.313 10 30 DEEERN Cc1nc(NCC[C@H]2CCCS2(=O)=O)c(Cl)cc1C#N ZINC000714330702 792309251 /nfs/dbraw/zinc/30/92/51/792309251.db2.gz MIOVKLOTGIPFIN-LLVKDONJSA-N 0 0 313.810 2.294 10 30 DEEERN C#CC[C@@H](COC)Nc1ccccc1S(=O)(=O)C(F)F ZINC000716359758 792954129 /nfs/dbraw/zinc/95/41/29/792954129.db2.gz YHAROQVFDMVOHP-JTQLQIEISA-N 0 0 303.330 2.133 10 30 DEEERN CC[C@@H](C[C@@H](C)O)NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000716952717 797943052 /nfs/dbraw/zinc/94/30/52/797943052.db2.gz ICFCCYUECPNIOW-KOLCDFICSA-N 0 0 316.810 2.039 10 30 DEEERN CC[C@@H](C[C@@H](C)O)NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000716955089 797953352 /nfs/dbraw/zinc/95/33/52/797953352.db2.gz SNTCPBYYHBWRFF-KOLCDFICSA-N 0 0 316.810 2.039 10 30 DEEERN N#C[C@]1(NC(=O)c2ccc(NC=O)cc2)CCc2ccccc2C1 ZINC000186902085 802076287 /nfs/dbraw/zinc/07/62/87/802076287.db2.gz KIJOIKULWXGHDY-IBGZPJMESA-N 0 0 319.364 2.436 10 30 DEEERN N#Cc1cc(N2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])s1 ZINC000407141354 802178570 /nfs/dbraw/zinc/17/85/70/802178570.db2.gz JRZBEMOXAUKCBY-SECBINFHSA-N 0 0 307.253 2.031 10 30 DEEERN Cc1nsc(NCc2cn(C)nc2Br)c1C#N ZINC000720650371 1085812549 /nfs/dbraw/zinc/81/25/49/1085812549.db2.gz LBDOTLCLUOCHSK-UHFFFAOYSA-N 0 0 312.196 2.431 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccc(Cl)nc1C)C(C)(C)C ZINC000702265704 1086416848 /nfs/dbraw/zinc/41/68/48/1086416848.db2.gz CNPWVKXFOKZDOI-NSHDSACASA-N 0 0 300.811 2.370 10 30 DEEERN CSC[C@H]1CCCN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720016520 1089423728 /nfs/dbraw/zinc/42/37/28/1089423728.db2.gz KFMBWZRLCBCSRO-GFCCVEGCSA-N 0 0 314.407 2.213 10 30 DEEERN CSC1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1 ZINC000720038084 1089428124 /nfs/dbraw/zinc/42/81/24/1089428124.db2.gz PIKPRMVRBOLQOC-UHFFFAOYSA-N 0 0 314.407 2.213 10 30 DEEERN C=C[C@H](O)C(=O)N(Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000612060801 361734785 /nfs/dbraw/zinc/73/47/85/361734785.db2.gz MQXMCGXLSCGJNK-KRWDZBQOSA-N 0 0 311.385 2.169 10 30 DEEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1c(F)cc(C#N)cc1F ZINC000119403604 282099724 /nfs/dbraw/zinc/09/97/24/282099724.db2.gz OJBLMZFYJAIFMB-LBPRGKRZSA-N 0 0 317.299 2.001 10 30 DEEERN C=CCn1c(N2CCO[C@@](C)(COC)C2)nnc1C(C)(C)C ZINC000624817397 365560226 /nfs/dbraw/zinc/56/02/26/365560226.db2.gz KBPJFAYFBPXMCY-MRXNPFEDSA-N 0 0 308.426 2.003 10 30 DEEERN C=CCn1c(N2CC[C@@H](CO)C[C@H]2C)nnc1[C@]1(C)CCCO1 ZINC000624826132 365562201 /nfs/dbraw/zinc/56/22/01/365562201.db2.gz CUKONPGODGZSIE-CPUCHLNUSA-N 0 0 320.437 2.087 10 30 DEEERN C=CCSCCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000076965350 185062606 /nfs/dbraw/zinc/06/26/06/185062606.db2.gz DADCOUPAMJMNEM-GFCCVEGCSA-N 0 0 314.451 2.279 10 30 DEEERN C=CCN(C1CCCC1)S(=O)(=O)c1ccc(N)c(OC)c1 ZINC000162210834 197553122 /nfs/dbraw/zinc/55/31/22/197553122.db2.gz KDQNLKJYDDKRCW-UHFFFAOYSA-N 0 0 310.419 2.397 10 30 DEEERN C=CCN(C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1)C1CC1 ZINC000278438581 214152905 /nfs/dbraw/zinc/15/29/05/214152905.db2.gz VIYGBYJYVIKQME-CQSZACIVSA-N 0 0 317.437 2.057 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(OC(C)(C)C)CC1 ZINC000612338460 361797034 /nfs/dbraw/zinc/79/70/34/361797034.db2.gz XFWXCGZDWLNRKW-OAHLLOKOSA-N 0 0 310.438 2.263 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000612321471 361792177 /nfs/dbraw/zinc/79/21/77/361792177.db2.gz SWYPVDYOJYKCJU-LSDHHAIUSA-N 0 0 310.438 2.169 10 30 DEEERN C#CCCCOc1ccc(S(N)(=O)=O)c(Cl)c1Cl ZINC000163138082 197613477 /nfs/dbraw/zinc/61/34/77/197613477.db2.gz KGWVAXQQXWKUNX-UHFFFAOYSA-N 0 0 308.186 2.433 10 30 DEEERN CC(=O)c1ccc(C#N)c(N2CCO[C@]3(CCCOC3)C2)c1 ZINC000286555841 219052476 /nfs/dbraw/zinc/05/24/76/219052476.db2.gz KFHRGAGIRNZYEU-QGZVFWFLSA-N 0 0 300.358 2.147 10 30 DEEERN Cc1nnc([C@H](C)NC(=O)NCc2ccc(C#N)cc2F)s1 ZINC000612704477 361897722 /nfs/dbraw/zinc/89/77/22/361897722.db2.gz AYPATSYXMMZDFT-QMMMGPOBSA-N 0 0 319.365 2.418 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000079252203 185162651 /nfs/dbraw/zinc/16/26/51/185162651.db2.gz ROMSUYYWNCNKIR-MRXNPFEDSA-N 0 0 317.433 2.105 10 30 DEEERN CSCCCCNC(=O)NCCOc1ccc(C#N)cc1 ZINC000173149038 282187152 /nfs/dbraw/zinc/18/71/52/282187152.db2.gz NHCMRHHLZIRIQF-UHFFFAOYSA-N 0 0 307.419 2.379 10 30 DEEERN N#Cc1cc(N)ccc1S(=O)(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000087766314 185231477 /nfs/dbraw/zinc/23/14/77/185231477.db2.gz XKOBXESWOIXZQT-RISCZKNCSA-N 0 0 305.403 2.094 10 30 DEEERN COc1ccc(Cn2cc(Br)c(N)n2)cc1C#N ZINC000087829032 185232365 /nfs/dbraw/zinc/23/23/65/185232365.db2.gz BUVWVKUBULUBFS-UHFFFAOYSA-N 0 0 307.151 2.156 10 30 DEEERN COc1ccc(CSc2n[nH]c(=O)n2C(C)C)cc1C#N ZINC000087833755 185232884 /nfs/dbraw/zinc/23/28/84/185232884.db2.gz NWHBAVZDEDAGEG-UHFFFAOYSA-N 0 0 304.375 2.325 10 30 DEEERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCc1ccc(C#N)cc1 ZINC000088198155 185241694 /nfs/dbraw/zinc/24/16/94/185241694.db2.gz CFAFBYPQLKHDKH-HNNXBMFYSA-N 0 0 323.400 2.296 10 30 DEEERN Cc1cc(C#N)cc(C)c1OCCCCCCS(N)(=O)=O ZINC000088163565 185240537 /nfs/dbraw/zinc/24/05/37/185240537.db2.gz WXAJIZOWRSPQSA-UHFFFAOYSA-N 0 0 310.419 2.403 10 30 DEEERN CC[C@H](C)C[C@H](C)NS(=O)(=O)c1cccc(C#CCO)c1 ZINC000088310839 185245347 /nfs/dbraw/zinc/24/53/47/185245347.db2.gz FFFHWGMQUUWROD-KBPBESRZSA-N 0 0 309.431 2.133 10 30 DEEERN C=C(C)CN(CC)S(=O)(=O)c1ccc(F)c(CO)c1F ZINC000088877361 185268117 /nfs/dbraw/zinc/26/81/17/185268117.db2.gz LWOCVFIRQRGNCC-UHFFFAOYSA-N 0 0 305.346 2.044 10 30 DEEERN C=C(C)CCNS(=O)(=O)C[C@H](Cc1ccc(F)cc1)OC ZINC000625237806 365693972 /nfs/dbraw/zinc/69/39/72/365693972.db2.gz KRYUOODURKQXND-HNNXBMFYSA-N 0 0 315.410 2.269 10 30 DEEERN COC(=O)C[C@@H](C)SCC(=O)Nc1oc(C)c(C)c1C#N ZINC000090099596 185281986 /nfs/dbraw/zinc/28/19/86/185281986.db2.gz HVYGZBACSJOIOF-MRVPVSSYSA-N 0 0 310.375 2.391 10 30 DEEERN C=C[C@@](C)(O)C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000613370850 362094279 /nfs/dbraw/zinc/09/42/79/362094279.db2.gz RNROQKYVAHUMLV-RHSMWYFYSA-N 0 0 303.406 2.429 10 30 DEEERN C=C[C@H](O)C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000613388284 362097979 /nfs/dbraw/zinc/09/79/79/362097979.db2.gz UAKCIYRFSAXKLO-QWHCGFSZSA-N 0 0 315.291 2.152 10 30 DEEERN C=C[C@H](O)C(=O)N[C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000613331029 362082662 /nfs/dbraw/zinc/08/26/62/362082662.db2.gz PBASKWLEHQGMRF-OWCLPIDISA-N 0 0 324.371 2.152 10 30 DEEERN C#CCn1c(N)c(-c2cncc(Br)c2)nc1CC ZINC000166589286 197695033 /nfs/dbraw/zinc/69/50/33/197695033.db2.gz OHBLTSOTXOILCI-UHFFFAOYSA-N 0 0 305.179 2.485 10 30 DEEERN Cc1nc(C(=O)NCC#CCOc2ccccc2F)cs1 ZINC000090726854 185311325 /nfs/dbraw/zinc/31/13/25/185311325.db2.gz MUPQSDVCEZUAAX-UHFFFAOYSA-N 0 0 304.346 2.403 10 30 DEEERN Cc1ccccc1OCC#CCNS(=O)(=O)c1ccccc1 ZINC000090729616 185311622 /nfs/dbraw/zinc/31/16/22/185311622.db2.gz CGNPJLQPVWENBX-UHFFFAOYSA-N 0 0 315.394 2.356 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000625327930 365731838 /nfs/dbraw/zinc/73/18/38/365731838.db2.gz NHHYLIDEURYDQM-UHFFFAOYSA-N 0 0 320.414 2.409 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(C(F)(F)F)ccc1NC ZINC000613490164 362126994 /nfs/dbraw/zinc/12/69/94/362126994.db2.gz VPHNVAVHDHXLGY-SNVBAGLBSA-N 0 0 302.296 2.414 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cccn2cc(C(F)(F)F)nc12 ZINC000613490562 362127020 /nfs/dbraw/zinc/12/70/20/362127020.db2.gz ZHKBZTZZXJTTSH-SECBINFHSA-N 0 0 313.279 2.020 10 30 DEEERN N#Cc1ccc(CN2CCN(c3ccc(C#N)cc3F)CC2)o1 ZINC000092596959 185328348 /nfs/dbraw/zinc/32/83/48/185328348.db2.gz ZXGDUZYTHXAHSM-UHFFFAOYSA-N 0 0 310.332 2.484 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cccc3c2OCCO3)C1 ZINC000625350879 365742421 /nfs/dbraw/zinc/74/24/21/365742421.db2.gz SHEMUMNKUOQOTE-GFCCVEGCSA-N 0 0 309.387 2.045 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)CCO3)C1 ZINC000625353297 365743579 /nfs/dbraw/zinc/74/35/79/365743579.db2.gz CBOQRBUZXDIAHW-LBPRGKRZSA-N 0 0 321.398 2.239 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)CCCC2CCOCC2)C1 ZINC000625354653 365743932 /nfs/dbraw/zinc/74/39/32/365743932.db2.gz KHOCIQYZUYGRRW-HNNXBMFYSA-N 0 0 301.452 2.421 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)C[C@@H](Cc2ccccc2)OC)C1 ZINC000625356090 365745240 /nfs/dbraw/zinc/74/52/40/365745240.db2.gz ZUEXXTWXSBVVSU-IAGOWNOFSA-N 0 0 323.458 2.472 10 30 DEEERN CCc1ccc([C@H](C)NC(=O)N2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000328788370 529718732 /nfs/dbraw/zinc/71/87/32/529718732.db2.gz KCLGWPISMLRPBQ-VBNZEHGJSA-N 0 0 304.390 2.324 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC(OC(C)C)CC1 ZINC000625430514 365781024 /nfs/dbraw/zinc/78/10/24/365781024.db2.gz NZEJKCZAEZVQDK-UHFFFAOYSA-N 0 0 310.438 2.121 10 30 DEEERN CN(C)c1ncccc1CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188022133 529813916 /nfs/dbraw/zinc/81/39/16/529813916.db2.gz PERLVXINIOIGHZ-UHFFFAOYSA-N 0 0 320.396 2.367 10 30 DEEERN CNC(=O)Cc1nc(CN(CCC#N)CCC(C)C)cs1 ZINC000177655948 529874136 /nfs/dbraw/zinc/87/41/36/529874136.db2.gz FYGVHPQMMCHRTC-UHFFFAOYSA-N 0 0 308.451 2.193 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCc2cccc(C)c2C1 ZINC000614001975 362260084 /nfs/dbraw/zinc/26/00/84/362260084.db2.gz BJTISCTVJYSFTN-KRWDZBQOSA-N 0 0 300.402 2.351 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc2ncccc2c1 ZINC000614256877 362330377 /nfs/dbraw/zinc/33/03/77/362330377.db2.gz LLPFGAXUUZNZMM-QGZVFWFLSA-N 0 0 311.385 2.322 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](NCC(F)(F)F)C(C)C ZINC000614372099 362364013 /nfs/dbraw/zinc/36/40/13/362364013.db2.gz GNWLOWDAYBMZKR-AVGNSLFASA-N 0 0 322.371 2.260 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cn(C)nc1-c1ccco1 ZINC000614374707 362365781 /nfs/dbraw/zinc/36/57/81/362365781.db2.gz HOVCKDRYWZQTQM-WBMJQRKESA-N 0 0 315.373 2.391 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(OC)cc(OC)c1C ZINC000614479827 362392955 /nfs/dbraw/zinc/39/29/55/362392955.db2.gz QGLOXGSZPVCQKU-HNNXBMFYSA-N 0 0 320.389 2.422 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc2oc(CO)cc2c1 ZINC000615301364 362578979 /nfs/dbraw/zinc/57/89/79/362578979.db2.gz LHDOIAGYUZTCHL-HNNXBMFYSA-N 0 0 316.357 2.335 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000615365195 362594740 /nfs/dbraw/zinc/59/47/40/362594740.db2.gz QXSKRLGHGUJBEW-YESZJQIVSA-N 0 0 300.402 2.377 10 30 DEEERN CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)[C@@H]1CCCO1 ZINC000245923731 282411884 /nfs/dbraw/zinc/41/18/84/282411884.db2.gz PBQNFIOWJHJQCS-NOLJZWGESA-N 0 0 302.374 2.399 10 30 DEEERN C=C[C@](C)(CC)C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000135036498 539513206 /nfs/dbraw/zinc/51/32/06/539513206.db2.gz TVPNWBLKSBVONK-MRXNPFEDSA-N 0 0 306.410 2.015 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1ccc2[nH]c(=O)n(C3CC3)c2c1 ZINC000616100694 362771985 /nfs/dbraw/zinc/77/19/85/362771985.db2.gz MKRDEFLYIYIOSH-GFCCVEGCSA-N 0 0 315.373 2.134 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000272639844 210041887 /nfs/dbraw/zinc/04/18/87/210041887.db2.gz LLSKWZWAPPLMJU-KGLIPLIRSA-N 0 0 320.414 2.115 10 30 DEEERN Cc1cc(S(=O)(=O)N(C)c2cccc(C#N)c2)ccc1N ZINC000070439868 190893418 /nfs/dbraw/zinc/89/34/18/190893418.db2.gz MQAVKYQTHLVIBT-UHFFFAOYSA-N 0 0 301.371 2.274 10 30 DEEERN N#Cc1cc(C(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)ccn1 ZINC000279908403 215228165 /nfs/dbraw/zinc/22/81/65/215228165.db2.gz MXUDKBQIFXNTSX-ZDUSSCGKSA-N 0 0 323.356 2.233 10 30 DEEERN Cc1ccc(C(=O)NCc2ccc(C#CCCO)s2)cn1 ZINC000071322866 190958491 /nfs/dbraw/zinc/95/84/91/190958491.db2.gz CVQSZKHGYZXSKA-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN CS(=O)(=O)c1ccc([S@](=O)[C@H]2CCCC[C@@H]2C#N)cc1 ZINC000084267207 192419341 /nfs/dbraw/zinc/41/93/41/192419341.db2.gz OQHDFKBINWZMGY-CILWKZBWSA-N 0 0 311.428 2.280 10 30 DEEERN C[C@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)CCS1 ZINC000170882735 197845074 /nfs/dbraw/zinc/84/50/74/197845074.db2.gz IPEMLRDTHNCZKT-LBPRGKRZSA-N 0 0 305.403 2.236 10 30 DEEERN Cc1cc(C(=O)N2CCS[C@H](C)[C@@H]2C)ccc1C#CCO ZINC000133659545 186003835 /nfs/dbraw/zinc/00/38/35/186003835.db2.gz CLICCPRRSFLNLM-UONOGXRCSA-N 0 0 303.427 2.305 10 30 DEEERN CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ncc[nH]1 ZINC000139681800 186023311 /nfs/dbraw/zinc/02/33/11/186023311.db2.gz ZWQWDRMNSISIDY-LLVKDONJSA-N 0 0 324.793 2.364 10 30 DEEERN CC(C)(C#N)N1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000148410702 186044374 /nfs/dbraw/zinc/04/43/74/186044374.db2.gz DYHXOTCRGFKZLX-UHFFFAOYSA-N 0 0 309.757 2.067 10 30 DEEERN C[C@@H]1CCC[C@@H](C)N1NC(=O)c1ccc(C#CCCO)s1 ZINC000149850038 186053136 /nfs/dbraw/zinc/05/31/36/186053136.db2.gz AKYYESFVVOUGSE-CHWSQXEVSA-N 0 0 306.431 2.390 10 30 DEEERN Cc1ccc(C#CC[NH3+])c([N-]S(=O)(=O)c2cccs2)c1 ZINC000164270381 186154445 /nfs/dbraw/zinc/15/44/45/186154445.db2.gz QVQJHGXPUJZCHX-UHFFFAOYSA-N 0 0 306.412 2.168 10 30 DEEERN C#Cc1cccc(N(C(=O)c2nn(C)cc2[N+](=O)[O-])C(C)C)c1 ZINC000272429059 209831425 /nfs/dbraw/zinc/83/14/25/209831425.db2.gz GDRDBVZQJINYSZ-UHFFFAOYSA-N 0 0 312.329 2.365 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1cccnc1 ZINC000617039284 363006983 /nfs/dbraw/zinc/00/69/83/363006983.db2.gz FNAPFWBXZZFZOP-UKRRQHHQSA-N 0 0 301.390 2.063 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CCc1nc(N(C)C)no1 ZINC000617041582 363008115 /nfs/dbraw/zinc/00/81/15/363008115.db2.gz GDQNLSMMWGPIAA-STQMWFEESA-N 0 0 306.410 2.319 10 30 DEEERN C=CCOc1ccc(C(=O)NC[C@@H](OC)[C@H]2CCOC2)cc1 ZINC000617147301 363037405 /nfs/dbraw/zinc/03/74/05/363037405.db2.gz COCRIICELCFEGU-GOEBONIOSA-N 0 0 305.374 2.033 10 30 DEEERN N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)nc1 ZINC000172971526 198171664 /nfs/dbraw/zinc/17/16/64/198171664.db2.gz KVLLODCGWZFSJU-ZIAGYGMSSA-N 0 0 321.336 2.467 10 30 DEEERN CN(C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1)[C@@H]1CCOC1 ZINC000329274946 539916751 /nfs/dbraw/zinc/91/67/51/539916751.db2.gz KPGVUDMFLCLTMX-CHWSQXEVSA-N 0 0 320.437 2.130 10 30 DEEERN Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCCCC[C@H]2O)cnn1C ZINC000329342749 539918874 /nfs/dbraw/zinc/91/88/74/539918874.db2.gz SSURHBXMPTVEKB-XZDPQHSOSA-N 0 0 321.421 2.456 10 30 DEEERN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H]1CC1(C)C ZINC000329155834 539915159 /nfs/dbraw/zinc/91/51/59/539915159.db2.gz VLMCCEOGESOPHY-QWHCGFSZSA-N 0 0 306.410 2.123 10 30 DEEERN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)CN1CC(=O)NC1=O ZINC000329556893 539922909 /nfs/dbraw/zinc/92/29/09/539922909.db2.gz KYYXENDVVGSRGP-GXFFZTMASA-N 0 0 311.382 2.176 10 30 DEEERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)COC1CCOCC1 ZINC000329551856 539923273 /nfs/dbraw/zinc/92/32/73/539923273.db2.gz APEOOCNDUKUJLM-LLVKDONJSA-N 0 0 309.410 2.120 10 30 DEEERN Cn1cc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(C2CC2)n1 ZINC000329622105 539924435 /nfs/dbraw/zinc/92/44/35/539924435.db2.gz NGCSNNUYVVOTJC-CXAGYDPISA-N 0 0 318.421 2.470 10 30 DEEERN C=CCN(C(=O)c1cnc(-c2cnn(C)c2)s1)[C@@H](C)COC ZINC000617578569 363195343 /nfs/dbraw/zinc/19/53/43/363195343.db2.gz MTRDOXJTKGGDBU-NSHDSACASA-N 0 0 320.418 2.207 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NC(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000332884568 539942568 /nfs/dbraw/zinc/94/25/68/539942568.db2.gz FOROSLKNGHJIQV-OLZOCXBDSA-N 0 0 313.357 2.262 10 30 DEEERN N#C[C@H](NC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21)c1ccccc1Cl ZINC000332919573 539943655 /nfs/dbraw/zinc/94/36/55/539943655.db2.gz CGEJGWYMOHKVOT-FDRIWYBQSA-N 0 0 320.776 2.072 10 30 DEEERN C=C(Br)CNC(=O)c1c(C)nc(C)nc1SC ZINC000073096609 191278658 /nfs/dbraw/zinc/27/86/58/191278658.db2.gz WRPAOWIIXXSGSN-UHFFFAOYSA-N 0 0 316.224 2.454 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2cccc(-n3cnnn3)c2C)C1 ZINC000626219101 366113864 /nfs/dbraw/zinc/11/38/64/366113864.db2.gz ORMAIYKMHHFDCT-CYBMUJFWSA-N 0 0 312.377 2.401 10 30 DEEERN Cc1ccc(OCCN(C)CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000011475637 354021680 /nfs/dbraw/zinc/02/16/80/354021680.db2.gz YPQZSPWCAOEDSB-GOSISDBHSA-N 0 0 315.417 2.114 10 30 DEEERN C=CCNC(=O)CSc1nnc(C(C)C)n1Cc1ccco1 ZINC000029804331 354116487 /nfs/dbraw/zinc/11/64/87/354116487.db2.gz DOQHFQRZKFFBPG-UHFFFAOYSA-N 0 0 320.418 2.437 10 30 DEEERN O=C(CCCC1CCN(c2nc3ccccc3[nH]2)CC1)NO ZINC000036475301 354165307 /nfs/dbraw/zinc/16/53/07/354165307.db2.gz OBWNZEPVDGOYJD-UHFFFAOYSA-N 0 0 302.378 2.455 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@H](C)c2ccc(OCC)cc2)C1=O ZINC000348487631 540022642 /nfs/dbraw/zinc/02/26/42/540022642.db2.gz CGMBEXPLNLJCKY-DOMZBBRYSA-N 0 0 318.373 2.269 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000618115334 363379990 /nfs/dbraw/zinc/37/99/90/363379990.db2.gz ZERPSQKRZJUBDE-HOTGVXAUSA-N 0 0 305.374 2.287 10 30 DEEERN C=CCC1(NC(=O)c2ccc(CNC(C)=O)s2)CCOCC1 ZINC000618247373 363431282 /nfs/dbraw/zinc/43/12/82/363431282.db2.gz UNUWHXHBDSUKBQ-UHFFFAOYSA-N 0 0 322.430 2.239 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)C1 ZINC000626588317 366235174 /nfs/dbraw/zinc/23/51/74/366235174.db2.gz QGRZNWZPVITHTM-WBMJQRKESA-N 0 0 315.373 2.341 10 30 DEEERN C=CCCO[C@H](C)C(=O)NCc1nccn1CC(F)(F)F ZINC000075709863 355102656 /nfs/dbraw/zinc/10/26/56/355102656.db2.gz XDFSHSLQBPQUAP-SNVBAGLBSA-N 0 0 305.300 2.043 10 30 DEEERN N#Cc1cc(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)ccn1 ZINC000193716982 283088935 /nfs/dbraw/zinc/08/89/35/283088935.db2.gz JCMBWAOEPVLKLA-UHFFFAOYSA-N 0 0 308.297 2.454 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(OC(C)C)nc1 ZINC000077862502 355233931 /nfs/dbraw/zinc/23/39/31/355233931.db2.gz UDLHDODXJLCDCD-UHFFFAOYSA-N 0 0 305.378 2.232 10 30 DEEERN N#Cc1ccccc1S(=O)(=O)N1CO[C@H](c2ccccc2)C1 ZINC000074882858 191377655 /nfs/dbraw/zinc/37/76/55/191377655.db2.gz FTPPTCHPGRDJJR-HNNXBMFYSA-N 0 0 314.366 2.278 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)Nc3cncc(C)c3)cc2C1=O ZINC000079686544 355324801 /nfs/dbraw/zinc/32/48/01/355324801.db2.gz JFIXKPVZBDYQJR-UHFFFAOYSA-N 0 0 321.336 2.424 10 30 DEEERN C=CCc1ccc(OCC(=O)NCCc2ccc[nH]2)c(OC)c1 ZINC000089352793 355527595 /nfs/dbraw/zinc/52/75/95/355527595.db2.gz YQXHOTORTPDANO-UHFFFAOYSA-N 0 0 314.385 2.490 10 30 DEEERN N#Cc1cc([N+](=O)[O-])cnc1N1CCOc2cccc(F)c2C1 ZINC000373860512 283113892 /nfs/dbraw/zinc/11/38/92/283113892.db2.gz SSJFIWZDXFQCIT-UHFFFAOYSA-N 0 0 314.276 2.400 10 30 DEEERN O=C1CC2(COC2)CN1c1ccc(C#Cc2ccccc2)cn1 ZINC000145353239 355905779 /nfs/dbraw/zinc/90/57/79/355905779.db2.gz PLXHRYFJSLJHBP-UHFFFAOYSA-N 0 0 304.349 2.235 10 30 DEEERN N#CC1(NC(=O)c2cc(N3CCCC3=O)ccc2F)CCC1 ZINC000161939619 355969909 /nfs/dbraw/zinc/96/99/09/355969909.db2.gz NVSFSAWYYGOZLQ-UHFFFAOYSA-N 0 0 301.321 2.129 10 30 DEEERN Cc1nn(C)c(C)c1CCCNC(=O)c1cccc(CC#N)c1 ZINC000180371417 356049302 /nfs/dbraw/zinc/04/93/02/356049302.db2.gz RSWMCBXAMIDBNO-UHFFFAOYSA-N 0 0 310.401 2.466 10 30 DEEERN Cc1nc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c(=O)[nH]c1C ZINC000179450936 356026377 /nfs/dbraw/zinc/02/63/77/356026377.db2.gz UNHPRPSKKMRBNV-UHFFFAOYSA-N 0 0 322.368 2.063 10 30 DEEERN O=C(C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC000005444996 181244352 /nfs/dbraw/zinc/24/43/52/181244352.db2.gz AOKYHEBGIBDDBS-NTUHNPAUSA-N 0 0 304.218 2.377 10 30 DEEERN COc1ccc(CNC(=O)c2c[nH]c(C#N)c2)cc1OC(F)F ZINC000181206466 356075443 /nfs/dbraw/zinc/07/54/43/356075443.db2.gz KQFPMOZPBGBOJZ-UHFFFAOYSA-N 0 0 321.283 2.426 10 30 DEEERN N#C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000079847490 191978477 /nfs/dbraw/zinc/97/84/77/191978477.db2.gz GQUUNXZQEBPAGN-LLVKDONJSA-N 0 0 304.293 2.286 10 30 DEEERN N#C[C@@H](NS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC000079847906 191978479 /nfs/dbraw/zinc/97/84/79/191978479.db2.gz WMBKJDKNLXRVHE-LLVKDONJSA-N 0 0 315.192 2.030 10 30 DEEERN COCc1noc([C@@H](C)n2c(C)nnc2-c2cccc(C#N)c2)n1 ZINC000182932347 356152370 /nfs/dbraw/zinc/15/23/70/356152370.db2.gz UJWVLRWSNKAZKW-SNVBAGLBSA-N 0 0 324.344 2.264 10 30 DEEERN C[C@H](C#N)CNC(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000182779776 356145504 /nfs/dbraw/zinc/14/55/04/356145504.db2.gz DFWADRGXAIOGCW-CYBMUJFWSA-N 0 0 320.437 2.017 10 30 DEEERN N#Cc1ccc(C(=O)NCc2ncc(-c3ccccc3)cn2)nc1 ZINC000183910132 356182206 /nfs/dbraw/zinc/18/22/06/356182206.db2.gz RESWKHMFEBRLNK-UHFFFAOYSA-N 0 0 315.336 2.340 10 30 DEEERN CC(=O)c1cc2c(cc1NC(=O)c1cc(C#N)cn1C)OCO2 ZINC000080939908 192202495 /nfs/dbraw/zinc/20/24/95/192202495.db2.gz LNVHGJULUVPIJL-UHFFFAOYSA-N 0 0 311.297 2.080 10 30 DEEERN N#Cc1ccc(N2CCC[C@H]3C(=O)NC[C@H]32)cc1C(F)(F)F ZINC000299752672 283159565 /nfs/dbraw/zinc/15/95/65/283159565.db2.gz UYPRVIPQUWLYLV-DGCLKSJQSA-N 0 0 309.291 2.292 10 30 DEEERN CN(C[C@@H]1CCc2nccn2C1)C(=O)c1sccc1C#N ZINC000328624700 356462658 /nfs/dbraw/zinc/46/26/58/356462658.db2.gz KAAHRUMSJQNACG-NSHDSACASA-N 0 0 300.387 2.151 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000081551879 192289285 /nfs/dbraw/zinc/28/92/85/192289285.db2.gz OTVOOBWAJLDYMF-UHFFFAOYSA-N 0 0 312.329 2.470 10 30 DEEERN C=CCOCCCNC(=O)C[C@H](NC(C)=O)c1cccs1 ZINC000618514386 363512727 /nfs/dbraw/zinc/51/27/27/363512727.db2.gz KIRFWLWDKSNYKT-ZDUSSCGKSA-N 0 0 310.419 2.024 10 30 DEEERN C=CCOCCCNC(=O)c1cc(OC)c(OC)cc1OC ZINC000618514423 363512750 /nfs/dbraw/zinc/51/27/50/363512750.db2.gz JKPMUGIHIIZLRT-UHFFFAOYSA-N 0 0 309.362 2.035 10 30 DEEERN C=CCOCCCNC(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000618515364 363512850 /nfs/dbraw/zinc/51/28/50/363512850.db2.gz AXEBUMALZYOUKG-NWDGAFQWSA-N 0 0 309.328 2.443 10 30 DEEERN CCOS(=O)(=O)/C=C\[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000399960239 356721823 /nfs/dbraw/zinc/72/18/23/356721823.db2.gz ZAUDTJMQKKDGEU-HIJJYWJESA-N 0 0 305.396 2.266 10 30 DEEERN N#Cc1cc(C(F)(F)F)cc(S(N)(=O)=O)c1C(F)(F)F ZINC000514281111 356741750 /nfs/dbraw/zinc/74/17/50/356741750.db2.gz KEQSNVNLSVMLGT-UHFFFAOYSA-N 0 0 318.198 2.243 10 30 DEEERN C=CCN(CC1CCCCC1)c1nnc([C@H]2COCCO2)n1C ZINC000578077824 356758130 /nfs/dbraw/zinc/75/81/30/356758130.db2.gz MGXNWOZDTJZGBO-OAHLLOKOSA-N 0 0 320.437 2.476 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H](C)Oc1ccc(OC)cc1 ZINC000578416747 356811767 /nfs/dbraw/zinc/81/17/67/356811767.db2.gz AGYMKXCKWOXDQO-MAZHCROVSA-N 0 0 305.374 2.312 10 30 DEEERN C=CCCCCCNC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000579371250 356965496 /nfs/dbraw/zinc/96/54/96/356965496.db2.gz KPJQKEYSCBWJOV-MRXNPFEDSA-N 0 0 309.454 2.239 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ncsc1C(F)(F)F ZINC000579463673 356978041 /nfs/dbraw/zinc/97/80/41/356978041.db2.gz FFBAHZCRJBGTSM-YUMQZZPRSA-N 0 0 306.309 2.483 10 30 DEEERN CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586862539 357377780 /nfs/dbraw/zinc/37/77/80/357377780.db2.gz ZTNIWFIXSNPKKR-DOMZBBRYSA-N 0 0 317.364 2.008 10 30 DEEERN C[C@H]1COCC[C@H]1CNC(=O)NCc1ccc(C#N)cc1F ZINC000588214951 357401871 /nfs/dbraw/zinc/40/18/71/357401871.db2.gz JJNIENCYGOHZKW-AAEUAGOBSA-N 0 0 305.353 2.169 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N(CCC(=O)OC)Cc1ccccc1 ZINC000590625639 357570017 /nfs/dbraw/zinc/57/00/17/357570017.db2.gz AOBNNRPVICTSKJ-CVEARBPZSA-N 0 0 317.385 2.169 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2ccc(-n3nnnc3C)cc2F)C1 ZINC000628493867 540274799 /nfs/dbraw/zinc/27/47/99/540274799.db2.gz YHKRJOLGAODXKQ-LBPRGKRZSA-N 0 0 315.352 2.148 10 30 DEEERN C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H](C)C#N ZINC000591649797 357748285 /nfs/dbraw/zinc/74/82/85/357748285.db2.gz OPDLLEKSRHPXIY-ZIAGYGMSSA-N 0 0 303.410 2.344 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)CC(F)F ZINC000592067285 357823603 /nfs/dbraw/zinc/82/36/03/357823603.db2.gz CVVJOXYMJWIQIX-VIFPVBQESA-N 0 0 302.346 2.436 10 30 DEEERN C=CCCOCC(=O)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000592817128 357950711 /nfs/dbraw/zinc/95/07/11/357950711.db2.gz QPUXNPRDVJADHC-KGLIPLIRSA-N 0 0 311.422 2.405 10 30 DEEERN C=C(C)COCCNC(=O)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000593095569 358008831 /nfs/dbraw/zinc/00/88/31/358008831.db2.gz CDWXHIAMQHBMQK-KGLIPLIRSA-N 0 0 311.422 2.453 10 30 DEEERN C#CCCCCC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000179668294 199073206 /nfs/dbraw/zinc/07/32/06/199073206.db2.gz QGHAZUIRMRSWBL-CYBMUJFWSA-N 0 0 307.415 2.461 10 30 DEEERN C=C(C)CN(CC)C(=O)CN(C)[C@H](CC)C(=O)OC(C)(C)C ZINC000593123232 358015409 /nfs/dbraw/zinc/01/54/09/358015409.db2.gz IRHCAJCUPASMBN-CQSZACIVSA-N 0 0 312.454 2.463 10 30 DEEERN C=C(C)Cn1c(COC)nnc1N1Cc2cccc(C#N)c2C1 ZINC000593761675 358138727 /nfs/dbraw/zinc/13/87/27/358138727.db2.gz NIURRLNJCIXSEO-UHFFFAOYSA-N 0 0 309.373 2.392 10 30 DEEERN C=CCN1CC[C@H](N[C@@H](C(=O)OCC)C2CCCCCC2)C1=O ZINC000594046623 358196887 /nfs/dbraw/zinc/19/68/87/358196887.db2.gz AKQKVNLGUBOKNZ-JKSUJKDBSA-N 0 0 322.449 2.265 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000180460505 199161868 /nfs/dbraw/zinc/16/18/68/199161868.db2.gz PAPQISLQLRNKSF-VIFPVBQESA-N 0 0 313.760 2.142 10 30 DEEERN C=C[C@](C)(O)CC(=O)N[C@H](C(=O)OCC)C1CCCCCC1 ZINC000594407635 358259532 /nfs/dbraw/zinc/25/95/32/358259532.db2.gz CZRPMDOEPZJMDK-RDJZCZTQSA-N 0 0 311.422 2.332 10 30 DEEERN C=CCCn1cc(CS[C@H](C)C(=O)N2CCCCC2)nn1 ZINC000594564978 358294824 /nfs/dbraw/zinc/29/48/24/358294824.db2.gz NDWMNURBZYGVOA-CYBMUJFWSA-N 0 0 308.451 2.488 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccnc1C#N ZINC000594790645 358337216 /nfs/dbraw/zinc/33/72/16/358337216.db2.gz VRUBMICBAGOFHD-CHWSQXEVSA-N 0 0 305.403 2.366 10 30 DEEERN C=CCCSCCNS(=O)(=O)c1ccc(N(C)C)cc1 ZINC000594814981 358342532 /nfs/dbraw/zinc/34/25/32/358342532.db2.gz HUKLDMLGIADIQD-UHFFFAOYSA-N 0 0 314.476 2.340 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)Nc1ccc(COC)c(OC)c1 ZINC000627031479 366415058 /nfs/dbraw/zinc/41/50/58/366415058.db2.gz XRZOQEAXIWRWBB-GFCCVEGCSA-N 0 0 308.378 2.148 10 30 DEEERN C=CCC1(NS(=O)(=O)c2cnc(C)c(C#N)c2)CCCC1 ZINC000594868787 358351332 /nfs/dbraw/zinc/35/13/32/358351332.db2.gz SRBSNDFVKBQNKD-UHFFFAOYSA-N 0 0 305.403 2.429 10 30 DEEERN C=CCCSCCNC(=O)NCc1cccnc1N(C)C ZINC000595450036 358451853 /nfs/dbraw/zinc/45/18/53/358451853.db2.gz TYSHVOMAYSWCPP-UHFFFAOYSA-N 0 0 308.451 2.256 10 30 DEEERN C=C(C)CN(CC)C(=O)CN(CC(=O)OC)C1CCCCC1 ZINC000595665167 358516273 /nfs/dbraw/zinc/51/62/73/358516273.db2.gz YIUZDGKCTXOKKM-UHFFFAOYSA-N 0 0 310.438 2.219 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)SC[C@H](OC)[C@H]1CCOC1 ZINC000596388946 358677688 /nfs/dbraw/zinc/67/76/88/358677688.db2.gz KVFMUUZXTGKQPL-KKUMJFAQSA-N 0 0 313.463 2.360 10 30 DEEERN C[C@]1(C#N)CCN(c2ccc(I)cn2)C1 ZINC000596532730 358707866 /nfs/dbraw/zinc/70/78/66/358707866.db2.gz XGMWNQLRZYEMPL-LLVKDONJSA-N 0 0 313.142 2.426 10 30 DEEERN C=CCCCNC(=O)N1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000596582901 358719022 /nfs/dbraw/zinc/71/90/22/358719022.db2.gz MTVVQHGHYBEJSK-MNOVXSKESA-N 0 0 322.327 2.336 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@H](CC(=O)OC)C1 ZINC000596661662 358735283 /nfs/dbraw/zinc/73/52/83/358735283.db2.gz PBLUAXRXCDELQV-KFWWJZLASA-N 0 0 324.421 2.095 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCCSC ZINC000597293617 358881037 /nfs/dbraw/zinc/88/10/37/358881037.db2.gz YAYLCBFXDRFUCL-KGLIPLIRSA-N 0 0 312.479 2.497 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCSCC ZINC000597310926 358886004 /nfs/dbraw/zinc/88/60/04/358886004.db2.gz CJYWAOOBYDPYTQ-KGLIPLIRSA-N 0 0 312.479 2.497 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1 ZINC000597500092 358934142 /nfs/dbraw/zinc/93/41/42/358934142.db2.gz IVNWDVPANLZZMW-ZIAGYGMSSA-N 0 0 311.422 2.188 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(C(=O)OC)cn1 ZINC000597863522 359027759 /nfs/dbraw/zinc/02/77/59/359027759.db2.gz FYKFOGRFUWWTPQ-NEPJUHHUSA-N 0 0 303.362 2.128 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C ZINC000597794276 359008611 /nfs/dbraw/zinc/00/86/11/359008611.db2.gz LTELBVJWIZTKDG-LXIYXOSZSA-N 0 0 323.433 2.452 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCc1ccccc1Br ZINC000185819436 199891170 /nfs/dbraw/zinc/89/11/70/199891170.db2.gz BJBAJIHDRGVUFA-LBPRGKRZSA-N 0 0 312.207 2.435 10 30 DEEERN C=CCCSCCNC(=O)c1cc2c(cc1OC)OCO2 ZINC000597967179 359054038 /nfs/dbraw/zinc/05/40/38/359054038.db2.gz RHWOBDCTSOBDAM-UHFFFAOYSA-N 0 0 309.387 2.463 10 30 DEEERN CC(=O)N(CCC(=O)N1CC[C@@](C)(C#N)C1)Cc1ccccc1 ZINC000598416646 359192513 /nfs/dbraw/zinc/19/25/13/359192513.db2.gz VCQMPKVJRRGKEN-SFHVURJKSA-N 0 0 313.401 2.187 10 30 DEEERN C=CCNC(=O)CNCc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598972904 359372454 /nfs/dbraw/zinc/37/24/54/359372454.db2.gz ZGIVZRYMKLAMEF-UHFFFAOYSA-N 0 0 310.419 2.095 10 30 DEEERN N#CCc1cccc(S(=O)(=O)N2CCC[C@H]2C(F)(F)F)c1 ZINC000599430049 359494690 /nfs/dbraw/zinc/49/46/90/359494690.db2.gz VFCSZJMZSXNIGT-LBPRGKRZSA-N 0 0 318.320 2.468 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)Cc2cccc(C(=O)OC)c2)C1 ZINC000599374954 359482982 /nfs/dbraw/zinc/48/29/82/359482982.db2.gz ONHHGSNMWBTICR-ZDUSSCGKSA-N 0 0 323.414 2.201 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(C)c(C(=O)OC)o1 ZINC000599882325 359616316 /nfs/dbraw/zinc/61/63/16/359616316.db2.gz IDYIUDZMYPAZDH-YPMHNXCESA-N 0 0 307.346 2.086 10 30 DEEERN C=CCN(CCC#N)C(=O)Cn1cc(C)c(C(F)(F)F)n1 ZINC000599962574 359626682 /nfs/dbraw/zinc/62/66/82/359626682.db2.gz SGFHJLJXMRNCFN-UHFFFAOYSA-N 0 0 300.284 2.139 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccccc1C(=O)OC ZINC000599994370 359631559 /nfs/dbraw/zinc/63/15/59/359631559.db2.gz IKOJACOUVCDWBE-UHFFFAOYSA-N 0 0 318.373 2.130 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCC(Cn2cncn2)CC1 ZINC000188230007 200212784 /nfs/dbraw/zinc/21/27/84/200212784.db2.gz QXOKZZNTBICJCW-UHFFFAOYSA-N 0 0 309.373 2.011 10 30 DEEERN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCO[C@H]1C ZINC000188200660 200208232 /nfs/dbraw/zinc/20/82/32/200208232.db2.gz LHMWUHYTDHQRJB-YOEHRIQHSA-N 0 0 316.401 2.348 10 30 DEEERN C=CCOCCCC(=O)N1CC[C@H](C(=O)OC)[C@@H]2CCC[C@H]21 ZINC000600546356 359766093 /nfs/dbraw/zinc/76/60/93/359766093.db2.gz BTDDUIQCOCKLDZ-SOUVJXGZSA-N 0 0 309.406 2.159 10 30 DEEERN CC(=O)N1CCCc2cc(NC[C@@H](O)CC3(C#N)CC3)ccc21 ZINC000600744635 359818771 /nfs/dbraw/zinc/81/87/71/359818771.db2.gz YUUMIWVDLXVODU-INIZCTEOSA-N 0 0 313.401 2.452 10 30 DEEERN C=CCCSCCN1C(=O)[C@@H]2c3ccoc3CCN2C1=O ZINC000600699338 359802753 /nfs/dbraw/zinc/80/27/53/359802753.db2.gz IAZPLGSITUWIHX-ZDUSSCGKSA-N 0 0 306.387 2.450 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccc([C@H](C)CC)c1 ZINC000627626446 366571899 /nfs/dbraw/zinc/57/18/99/366571899.db2.gz CBLLGPLSWHPLEA-CJNGLKHVSA-N 0 0 316.401 2.029 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccnn1CCCC ZINC000627686814 366591422 /nfs/dbraw/zinc/59/14/22/366591422.db2.gz FCNNCYZCOJXTIW-UHFFFAOYSA-N 0 0 306.410 2.340 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc2nc(C)cn2c1 ZINC000627687115 366591949 /nfs/dbraw/zinc/59/19/49/366591949.db2.gz UWAAPXLRNBYAFC-UHFFFAOYSA-N 0 0 314.389 2.300 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@@H]2C[C@H](O)C23CCC3)cc1OC ZINC000619091043 363703154 /nfs/dbraw/zinc/70/31/54/363703154.db2.gz RZCSHTPJIHRKSS-CVEARBPZSA-N 0 0 317.385 2.293 10 30 DEEERN C=CCSCCNC(=O)c1nn(C2CCOCC2)cc1C ZINC000601019148 359895994 /nfs/dbraw/zinc/89/59/94/359895994.db2.gz CTMRZFYXYVCDEU-UHFFFAOYSA-N 0 0 309.435 2.192 10 30 DEEERN CC1(C)CO[C@@H](Cn2cc(Br)cc(C#N)c2=O)C1 ZINC000601082285 359915521 /nfs/dbraw/zinc/91/55/21/359915521.db2.gz FTVNCLBJYQSHDO-LLVKDONJSA-N 0 0 311.179 2.298 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc(F)ccc2OC)C1 ZINC000627733725 366603110 /nfs/dbraw/zinc/60/31/10/366603110.db2.gz BJHXWLPZXGXITK-NSHDSACASA-N 0 0 306.337 2.197 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)N(C)CC3)C1 ZINC000627734470 366604456 /nfs/dbraw/zinc/60/44/56/366604456.db2.gz UMDHXMNCHHBVRL-ZDUSSCGKSA-N 0 0 313.401 2.042 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc3oc(C)nc3c2)C1 ZINC000627734335 366604470 /nfs/dbraw/zinc/60/44/70/366604470.db2.gz QBOCFWAVCBCHOM-GFCCVEGCSA-N 0 0 313.357 2.499 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)N2C[C@H](C)Oc3ccccc32)C1 ZINC000627734858 366604548 /nfs/dbraw/zinc/60/45/48/366604548.db2.gz FEKZBKWPHKXPNE-KBPBESRZSA-N 0 0 314.385 2.225 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)nc2)C1 ZINC000627734920 366604604 /nfs/dbraw/zinc/60/46/04/366604604.db2.gz GWLVBOVCDILLKF-CYBMUJFWSA-N 0 0 317.389 2.232 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000627736104 366604619 /nfs/dbraw/zinc/60/46/19/366604619.db2.gz NFRLUAALMFPETR-VIFPVBQESA-N 0 0 312.291 2.467 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cnn(CCCC)c2C)C1 ZINC000627734682 366604845 /nfs/dbraw/zinc/60/48/45/366604845.db2.gz ZOUAVBHRVZCDSK-AWEZNQCLSA-N 0 0 318.421 2.355 10 30 DEEERN C=C(C)C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])C(=O)OC ZINC000601228271 359974446 /nfs/dbraw/zinc/97/44/46/359974446.db2.gz ZVWXKTGHCRVRSS-MRVPVSSYSA-N 0 0 310.335 2.224 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C(=O)OC)nn1C ZINC000601664567 360105613 /nfs/dbraw/zinc/10/56/13/360105613.db2.gz NMHWXDWUXGNPBX-VXGBXAGGSA-N 0 0 305.378 2.071 10 30 DEEERN C=CCCC(C)(C)CNS(=O)(=O)N(CC)C[C@H](C)C#N ZINC000601498264 360054734 /nfs/dbraw/zinc/05/47/34/360054734.db2.gz WHKWAOGTTZRGJN-CYBMUJFWSA-N 0 0 301.456 2.295 10 30 DEEERN C=CCC[C@H](NC(=O)c1[nH]ncc1C(F)(F)F)C(=O)OCC ZINC000601619667 360089871 /nfs/dbraw/zinc/08/98/71/360089871.db2.gz GDKKEWSJZBYWKG-VIFPVBQESA-N 0 0 319.283 2.056 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)C(=O)OC ZINC000601770765 360140526 /nfs/dbraw/zinc/14/05/26/360140526.db2.gz DUPHARZDZXVUMD-SMDDNHRTSA-N 0 0 309.337 2.217 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](C)n1cnc2ccccc21)C(=O)OC ZINC000601776535 360143499 /nfs/dbraw/zinc/14/34/99/360143499.db2.gz BIWKLAXZLGFLIY-OCCSQVGLSA-N 0 0 315.373 2.221 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@@H](CC(=C)C)C(=O)OC)cc1 ZINC000601780340 360144541 /nfs/dbraw/zinc/14/45/41/360144541.db2.gz BDRXVCMBUMMWDZ-INIZCTEOSA-N 0 0 317.385 2.418 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(C)c(C(C)=O)c1)C(=O)OC ZINC000601781547 360145908 /nfs/dbraw/zinc/14/59/08/360145908.db2.gz JKWONSXNQDSETM-HNNXBMFYSA-N 0 0 303.358 2.435 10 30 DEEERN CC#CCCCC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601781385 360146052 /nfs/dbraw/zinc/14/60/52/360146052.db2.gz VVISAFIBOZRTAY-MRXNPFEDSA-N 0 0 304.346 2.112 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1CCc2cc(C)ccc2O1)C(=O)OC ZINC000601784051 360147704 /nfs/dbraw/zinc/14/77/04/360147704.db2.gz ZKKLRAACGBWVTR-HOCLYGCPSA-N 0 0 317.385 2.313 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cn1ccc2ccc(F)cc21)C(=O)OC ZINC000601785714 360148462 /nfs/dbraw/zinc/14/84/62/360148462.db2.gz TXRWTGBGHOGYIB-AWEZNQCLSA-N 0 0 318.348 2.404 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cc1cc(F)ccc1OC)C(=O)OC ZINC000601787661 360150518 /nfs/dbraw/zinc/15/05/18/360150518.db2.gz MFGJHTLBKUYQKI-ZDUSSCGKSA-N 0 0 309.337 2.001 10 30 DEEERN C=CCn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC000601855231 360175144 /nfs/dbraw/zinc/17/51/44/360175144.db2.gz QLVLCKRXHLNHDM-BFHYXJOUSA-N 0 0 301.394 2.444 10 30 DEEERN C=CCCOCC(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 ZINC000603157362 360727268 /nfs/dbraw/zinc/72/72/68/360727268.db2.gz PCPWTLQZBVGXBX-QGZVFWFLSA-N 0 0 313.401 2.188 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(F)ccc1C#N ZINC000191215382 200646696 /nfs/dbraw/zinc/64/66/96/200646696.db2.gz UIFJIDNBZXUCPI-KCXAZCMYSA-N 0 0 302.349 2.471 10 30 DEEERN N#Cc1cc(S(=O)(=O)NCc2ccc(Cl)o2)ccc1F ZINC000609133867 361282177 /nfs/dbraw/zinc/28/21/77/361282177.db2.gz HUXLWKOORPFCNI-UHFFFAOYSA-N 0 0 314.725 2.422 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(S(C)(=O)=O)oc1C ZINC000628142997 366736727 /nfs/dbraw/zinc/73/67/27/366736727.db2.gz XUGGUAJWUWSLJH-TXEJJXNPSA-N 0 0 309.387 2.315 10 30 DEEERN CN(CC(=O)N(CC#N)C1CCCC1)c1ccc(Cl)cn1 ZINC000609994931 361351252 /nfs/dbraw/zinc/35/12/52/361351252.db2.gz CABXSYNNSYSGSG-UHFFFAOYSA-N 0 0 306.797 2.466 10 30 DEEERN C=CC(C)(C)CCNC(=O)CNC(=O)c1ccc(F)cc1F ZINC000628314167 366806587 /nfs/dbraw/zinc/80/65/87/366806587.db2.gz ORWWBIDSDCUKQQ-UHFFFAOYSA-N 0 0 310.344 2.413 10 30 DEEERN CCOC(=O)C[C@](C)(NC(=O)c1ccnc(C#N)c1)C(C)C ZINC000193912513 201143766 /nfs/dbraw/zinc/14/37/66/201143766.db2.gz QWYPZZPOMQJBHD-INIZCTEOSA-N 0 0 303.362 2.051 10 30 DEEERN COC[C@@](C)(NC(=O)Cc1cccc(C#N)c1)C(F)(F)F ZINC000610524913 361415825 /nfs/dbraw/zinc/41/58/25/361415825.db2.gz QVSTWQHIHYSUHP-CYBMUJFWSA-N 0 0 300.280 2.184 10 30 DEEERN C=CCOCC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000610823389 361472662 /nfs/dbraw/zinc/47/26/62/361472662.db2.gz OLBBOLHBLBSYHT-HNNXBMFYSA-N 0 0 305.374 2.246 10 30 DEEERN COC(=O)Cc1csc(NC(=O)N2CCC(C)(C#N)CC2)n1 ZINC000611544347 361626661 /nfs/dbraw/zinc/62/66/61/361626661.db2.gz DUUMRRBAQWGMJB-UHFFFAOYSA-N 0 0 322.390 2.016 10 30 DEEERN C=CCOCCNC(=O)N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000611546469 361626685 /nfs/dbraw/zinc/62/66/85/361626685.db2.gz FURWDJUVCDBGRH-WHEQGISXSA-N 0 0 324.446 2.329 10 30 DEEERN C=CCOCCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000611544859 361626880 /nfs/dbraw/zinc/62/68/80/361626880.db2.gz FLRPLOUJZBIJRH-GFCCVEGCSA-N 0 0 307.350 2.466 10 30 DEEERN C[C@@H](C#N)CNC(=O)N[C@H](Cc1nccn1C)c1ccccc1 ZINC000611626196 361648392 /nfs/dbraw/zinc/64/83/92/361648392.db2.gz CMCKKCSMMUIGGY-DZGCQCFKSA-N 0 0 311.389 2.163 10 30 DEEERN COC(=O)C(C)(C)[C@@H](NC(=O)NC[C@@H](C)C#N)c1ccccc1 ZINC000611627233 361648470 /nfs/dbraw/zinc/64/84/70/361648470.db2.gz IIVYZSJUCQVICG-JSGCOSHPSA-N 0 0 317.389 2.386 10 30 DEEERN C=CC1CCN(c2nnc(-c3cn(C)nn3)n2CC(C)C)CC1 ZINC000611805981 361686199 /nfs/dbraw/zinc/68/61/99/361686199.db2.gz OTWGWJMAUCVBAD-UHFFFAOYSA-N 0 0 315.425 2.132 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[C@H]1OCC ZINC000611928788 361706580 /nfs/dbraw/zinc/70/65/80/361706580.db2.gz MQHSWGMIPRIBDZ-CAOSSQGBSA-N 0 0 322.449 2.311 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)C[C@@H](C)OC ZINC000195065026 201334250 /nfs/dbraw/zinc/33/42/50/201334250.db2.gz SHCPMUDHXJQPOZ-SNVBAGLBSA-N 0 0 315.347 2.067 10 30 DEEERN CO[C@H]1CCN(C(=O)NCc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000619668908 363851317 /nfs/dbraw/zinc/85/13/17/363851317.db2.gz WRZGRUHWCVZLQJ-RISCZKNCSA-N 0 0 305.353 2.406 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(N2CCOCC2)ccn1 ZINC000620314243 364014214 /nfs/dbraw/zinc/01/42/14/364014214.db2.gz WLGBPWYOCZQIML-IYBDPMFKSA-N 0 0 313.401 2.241 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC[C@@H]3COC[C@@H]3C2)cc1OC ZINC000620151456 363975695 /nfs/dbraw/zinc/97/56/95/363975695.db2.gz HBCCIYJHONFUIX-CABCVRRESA-N 0 0 317.385 2.369 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2scc(C)n2c1=O ZINC000620305491 364013725 /nfs/dbraw/zinc/01/37/25/364013725.db2.gz JCQOCKBCBQMBPK-TXEJJXNPSA-N 0 0 315.398 2.388 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2c(C)cccn2c1=O ZINC000620305455 364013919 /nfs/dbraw/zinc/01/39/19/364013919.db2.gz HAEDXVVNFNXGKL-OKILXGFUSA-N 0 0 309.369 2.326 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NCC1(O)CCC(F)(F)CC1 ZINC000620321380 364016654 /nfs/dbraw/zinc/01/66/54/364016654.db2.gz YEXCUQKSJNSNQM-CYBMUJFWSA-N 0 0 305.365 2.272 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@@H](c1ccncc1)C1(CO)CCC1 ZINC000621028345 364229587 /nfs/dbraw/zinc/22/95/87/364229587.db2.gz GQJCOEPNOPXBEW-ZBFHGGJFSA-N 0 0 318.417 2.383 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000628402204 366842384 /nfs/dbraw/zinc/84/23/84/366842384.db2.gz IUEQGYDBWAGWRU-NTZNESFSSA-N 0 0 302.365 2.207 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C[C@H](NC(N)=O)c2cccs2)C1 ZINC000628484526 366864075 /nfs/dbraw/zinc/86/40/75/366864075.db2.gz OZSSLDUCUVEGMR-NEPJUHHUSA-N 0 0 307.419 2.272 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cc(-n3ccnn3)ccc2F)C1 ZINC000628492847 366866387 /nfs/dbraw/zinc/86/63/87/366866387.db2.gz CVZMYEJHIMWKRS-GFCCVEGCSA-N 0 0 300.337 2.445 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C1Cc2ccccc2C1 ZINC000622789539 364797095 /nfs/dbraw/zinc/79/70/95/364797095.db2.gz RLKFRVRLOINHJS-QGZVFWFLSA-N 0 0 300.402 2.083 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000622948475 364838873 /nfs/dbraw/zinc/83/88/73/364838873.db2.gz IHMUVLYONHCLGJ-JFIYKMOQSA-N 0 0 319.449 2.476 10 30 DEEERN C=CCCCCNC(=O)N[C@H]1c2ccccc2CN(C)C1=O ZINC000623208860 364921575 /nfs/dbraw/zinc/92/15/75/364921575.db2.gz BLCFGQMUKVRSSE-HNNXBMFYSA-N 0 0 301.390 2.355 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCCC(=O)NC2CCCCC2)C1 ZINC000623487414 365047669 /nfs/dbraw/zinc/04/76/69/365047669.db2.gz AXDGHEJMLNFKIZ-AWEZNQCLSA-N 0 0 307.438 2.433 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCCc1cccc(C(N)=O)c1 ZINC000623551748 365074543 /nfs/dbraw/zinc/07/45/43/365074543.db2.gz GFGRCLAVDDHJQV-UHFFFAOYSA-N 0 0 303.406 2.230 10 30 DEEERN O=C(Nc1cccc(Cl)c1F)c1ccncc1C#CCO ZINC000091458159 193058656 /nfs/dbraw/zinc/05/86/56/193058656.db2.gz RFEGULYZKWSRSR-UHFFFAOYSA-N 0 0 304.708 2.470 10 30 DEEERN N#C[C@@H](CC(=O)NC1CC1)Nc1ccc(Br)cc1 ZINC000091320366 193039870 /nfs/dbraw/zinc/03/98/70/193039870.db2.gz SNWCJFBDHKTNSM-GFCCVEGCSA-N 0 0 308.179 2.422 10 30 DEEERN CSC1(C#N)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000091471359 193060560 /nfs/dbraw/zinc/06/05/60/193060560.db2.gz QFRHZXDKDNHORS-UHFFFAOYSA-N 0 0 305.359 2.456 10 30 DEEERN COc1ccc(CC(=O)N2CCC(C#N)(SC)CC2)cc1 ZINC000091472844 193060963 /nfs/dbraw/zinc/06/09/63/193060963.db2.gz ZTANHAVJCRIDOK-UHFFFAOYSA-N 0 0 304.415 2.485 10 30 DEEERN N#C[C@H]1CNCCN1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000091748234 193101117 /nfs/dbraw/zinc/10/11/17/193101117.db2.gz XLBDCFGPKUZJNS-ZDUSSCGKSA-N 0 0 302.765 2.292 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000624461878 365430406 /nfs/dbraw/zinc/43/04/06/365430406.db2.gz UESVYFKGHUVVPR-CYBMUJFWSA-N 0 0 303.410 2.275 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NC[C@H]2CCCN2CC(F)F)C1 ZINC000624565735 365474317 /nfs/dbraw/zinc/47/43/17/365474317.db2.gz GRLWPJRWTVWVDD-CHWSQXEVSA-N 0 0 301.381 2.324 10 30 DEEERN C=CCC[C@H](C(=O)NC[C@H]1COCCN1C)c1ccccc1 ZINC000628915912 367011160 /nfs/dbraw/zinc/01/11/60/367011160.db2.gz VOYRUJGJQNXZLH-IRXDYDNUSA-N 0 0 302.418 2.183 10 30 DEEERN C=CCNC(=O)[C@H](C)Nc1ccc2c(c1)[C@H](C)CC(=O)N2C ZINC000629274104 367146741 /nfs/dbraw/zinc/14/67/41/367146741.db2.gz ZWQGPBBFFUGKKI-NEPJUHHUSA-N 0 0 301.390 2.259 10 30 DEEERN C=CCC[C@H]1NC(=O)N(C[C@@H]2Cc3ccccc3CO2)C1=O ZINC000629481541 367215990 /nfs/dbraw/zinc/21/59/90/367215990.db2.gz LYSHIIWFMUSCDR-LSDHHAIUSA-N 0 0 300.358 2.015 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000629717966 367312997 /nfs/dbraw/zinc/31/29/97/367312997.db2.gz MXLJMLZZUVMTIQ-DYVFJYSZSA-N 0 0 307.365 2.477 10 30 DEEERN CC(C)CN(CCC#N)S(=O)(=O)c1ccc(CC#N)cc1 ZINC000092131065 193166272 /nfs/dbraw/zinc/16/62/72/193166272.db2.gz GYAKMUGBZPXZOY-UHFFFAOYSA-N 0 0 305.403 2.313 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1COc2ccc(O)cc2O1 ZINC000630852502 367880269 /nfs/dbraw/zinc/88/02/69/367880269.db2.gz SSNUFGMUEBAQLT-GFCCVEGCSA-N 0 0 317.263 2.109 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccc(OCC)c(OC)c2)C1=O ZINC000630969052 367942890 /nfs/dbraw/zinc/94/28/90/367942890.db2.gz XXFYMCFKYSUBRX-CYBMUJFWSA-N 0 0 318.373 2.481 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCc2nc3c(s2)CCCC3)C1=O ZINC000630972724 367943865 /nfs/dbraw/zinc/94/38/65/367943865.db2.gz NLLGPNGPKUCFBJ-GFCCVEGCSA-N 0 0 319.430 2.451 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCc2ccn(-c3ccccc3)n2)C1=O ZINC000630973890 367944964 /nfs/dbraw/zinc/94/49/64/367944964.db2.gz SJGXUVXIQAWZQY-MRXNPFEDSA-N 0 0 324.384 2.301 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCCc2nc(C(C)C)no2)C1=O ZINC000630973307 367945420 /nfs/dbraw/zinc/94/54/20/367945420.db2.gz ZGNHQVODBNKNDL-NSHDSACASA-N 0 0 306.366 2.012 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2csc([C@@H](C)OC)n2)C1=O ZINC000630977235 367947948 /nfs/dbraw/zinc/94/79/48/367947948.db2.gz HFAKKELLXWAOJU-KOLCDFICSA-N 0 0 309.391 2.237 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H]2CCOc3ccc(OC)cc32)C1=O ZINC000630980231 367948617 /nfs/dbraw/zinc/94/86/17/367948617.db2.gz ZXQXDQVSQLTSJY-KGLIPLIRSA-N 0 0 316.357 2.405 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccnc(C(F)(F)F)c2)C1=O ZINC000630980735 367948792 /nfs/dbraw/zinc/94/87/92/367948792.db2.gz BBCJHQUPMCUSNY-JTQLQIEISA-N 0 0 313.279 2.487 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2CCO[C@@H](c3ccncc3)C2)C1=O ZINC000630983775 367949351 /nfs/dbraw/zinc/94/93/51/367949351.db2.gz SHSLVCFNKMDDNT-QLFBSQMISA-N 0 0 315.373 2.188 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2CCC[C@H]2Cc2cnn(C)c2)C1=O ZINC000630988919 367953231 /nfs/dbraw/zinc/95/32/31/367953231.db2.gz WRQSWHGIVCOBDF-KKUMJFAQSA-N 0 0 316.405 2.018 10 30 DEEERN C=CCC1(CNS(=O)(=O)c2cccc(C(N)=O)c2)CCCC1 ZINC000451953290 243674433 /nfs/dbraw/zinc/67/44/33/243674433.db2.gz SKUJCAHXNDWWLG-UHFFFAOYSA-N 0 0 322.430 2.200 10 30 DEEERN Cc1ccc(C2(CNC(=O)[C@@H](C)n3cnc(C#N)n3)CC2)c(C)c1 ZINC000452315320 244139118 /nfs/dbraw/zinc/13/91/18/244139118.db2.gz VAMPJKMAKFOXEC-CQSZACIVSA-N 0 0 323.400 2.176 10 30 DEEERN Cc1ccc(C2(CNC(=O)[C@H](C)n3cnc(C#N)n3)CC2)c(C)c1 ZINC000452315319 244139833 /nfs/dbraw/zinc/13/98/33/244139833.db2.gz VAMPJKMAKFOXEC-AWEZNQCLSA-N 0 0 323.400 2.176 10 30 DEEERN CN[C@@]1(C#N)CCC[C@H]1CCSc1nnc2ccccn21 ZINC000093581290 193270017 /nfs/dbraw/zinc/27/00/17/193270017.db2.gz XUGFSABAQKNMIO-SWLSCSKDSA-N 0 0 301.419 2.493 10 30 DEEERN COc1cccc(N(C)C(=O)c2csc(C#CCO)c2)c1 ZINC000093974853 193332568 /nfs/dbraw/zinc/33/25/68/193332568.db2.gz DKQWIOFNQGYGMV-UHFFFAOYSA-N 0 0 301.367 2.377 10 30 DEEERN C#Cc1cccc(NS(=O)(=O)c2cc(N)cc(F)c2C)c1 ZINC000094359508 193364765 /nfs/dbraw/zinc/36/47/65/193364765.db2.gz XXLKTLZGVNWBGB-UHFFFAOYSA-N 0 0 304.346 2.498 10 30 DEEERN OCC#Cc1cccc(O[C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000094408404 193367873 /nfs/dbraw/zinc/36/78/73/193367873.db2.gz AVCMRGJANNOOCB-IAGOWNOFSA-N 0 0 304.411 2.464 10 30 DEEERN COC[C@@H](NC(=O)c1cc(C)c(C#CCCO)s1)C(C)C ZINC000094535770 193377257 /nfs/dbraw/zinc/37/72/57/193377257.db2.gz PCINAUMGGABHIM-CYBMUJFWSA-N 0 0 309.431 2.191 10 30 DEEERN CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cc(C)c(C#CCO)s1 ZINC000094534227 193377502 /nfs/dbraw/zinc/37/75/02/193377502.db2.gz NBUSWFWLYSJVTK-QWHCGFSZSA-N 0 0 307.415 2.040 10 30 DEEERN O=C(Cn1cnc2ccccc21)NCC#Cc1ccc(F)cc1 ZINC000096343422 193614509 /nfs/dbraw/zinc/61/45/09/193614509.db2.gz RKABVYRSWANMSJ-UHFFFAOYSA-N 0 0 307.328 2.343 10 30 DEEERN C=CCn1c(CC2CC2)nnc1N1CCC[C@]2(CCOC2)C1 ZINC000453426538 245136018 /nfs/dbraw/zinc/13/60/18/245136018.db2.gz RUMLJEPVIZYYDL-KRWDZBQOSA-N 0 0 302.422 2.424 10 30 DEEERN CNC(=S)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl ZINC000008671572 181571792 /nfs/dbraw/zinc/57/17/92/181571792.db2.gz VYOAHKWXWWMMHF-LZYBPNLTSA-N 0 0 307.810 2.262 10 30 DEEERN C#CCN(CC1CC1)S(=O)(=O)c1cc(N)c(C)c(Cl)c1 ZINC000161800903 197520320 /nfs/dbraw/zinc/52/03/20/197520320.db2.gz HEQPWKODLNCOKH-UHFFFAOYSA-N 0 0 312.822 2.265 10 30 DEEERN C=C(C)CCNC(=O)NCc1ncn(Cc2cccc(F)c2)n1 ZINC000454835905 246187708 /nfs/dbraw/zinc/18/77/08/246187708.db2.gz YHYFNNXIFTVUDY-UHFFFAOYSA-N 0 0 317.368 2.231 10 30 DEEERN N#Cc1ccc(F)cc1CN1CCCN(c2cccnn2)CC1 ZINC000159889142 197370913 /nfs/dbraw/zinc/37/09/13/197370913.db2.gz MCMXMHNOQGBHKB-UHFFFAOYSA-N 0 0 311.364 2.200 10 30 DEEERN C=CCC1(NC(=O)Nc2cnn(CC(=O)NC)c2)CCCCC1 ZINC000455084960 246367858 /nfs/dbraw/zinc/36/78/58/246367858.db2.gz XSQYTKMMZGIMCG-UHFFFAOYSA-N 0 0 319.409 2.030 10 30 DEEERN C=CCCOCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000458585541 248387458 /nfs/dbraw/zinc/38/74/58/248387458.db2.gz ILCSBMNDTYCXCH-ARFHVFGLSA-N 0 0 310.438 2.304 10 30 DEEERN N#Cc1cccc(OCc2cccc(C(=O)NC3(CO)CC3)c2)c1 ZINC000160299965 291665444 /nfs/dbraw/zinc/66/54/44/291665444.db2.gz UAQGSXZRCPCOCN-UHFFFAOYSA-N 0 0 322.364 2.392 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)NCCc1nc(C)no1 ZINC000102034767 193856902 /nfs/dbraw/zinc/85/69/02/193856902.db2.gz LEZXPSOLPSHHGH-UHFFFAOYSA-N 0 0 300.362 2.318 10 30 DEEERN CN(C)C(=O)N1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000041260236 183182199 /nfs/dbraw/zinc/18/21/99/183182199.db2.gz QRDHPXYWOBMODQ-AWEZNQCLSA-N 0 0 306.797 2.204 10 30 DEEERN COc1ccc(-c2nc(SC)nc(N)c2C#N)cc1OC ZINC000041306337 183184351 /nfs/dbraw/zinc/18/43/51/183184351.db2.gz WHOKEVLYSUYXGH-UHFFFAOYSA-N 0 0 302.359 2.337 10 30 DEEERN C[C@@H](CN(C)Cc1cc(Br)ccc1F)/C(N)=N/O ZINC000042457818 183273054 /nfs/dbraw/zinc/27/30/54/183273054.db2.gz SJQIQTJJTFULOT-QMMMGPOBSA-N 0 0 318.190 2.403 10 30 DEEERN CN(Cc1csc(C#CCO)c1)C(=O)c1cc(Cl)cn1C ZINC000042363946 183258720 /nfs/dbraw/zinc/25/87/20/183258720.db2.gz XGIWRYYYTOKBSD-UHFFFAOYSA-N 0 0 322.817 2.356 10 30 DEEERN CC(C)CN(C(C)C)S(=O)(=O)c1ccc(C#CCO)cc1 ZINC000042598195 183289697 /nfs/dbraw/zinc/28/96/97/183289697.db2.gz UWIBNDHEUBDJDB-UHFFFAOYSA-N 0 0 309.431 2.086 10 30 DEEERN N#C[C@H]1CN(C(=O)N[C@@H](c2ccco2)c2ccccc2)CCO1 ZINC000106329513 194196837 /nfs/dbraw/zinc/19/68/37/194196837.db2.gz HALASNXXPOHAPE-GOEBONIOSA-N 0 0 311.341 2.303 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159404890 197351499 /nfs/dbraw/zinc/35/14/99/197351499.db2.gz DZQALWQMHMLTHU-RKDXNWHRSA-N 0 0 314.311 2.294 10 30 DEEERN CC[C@H](C)[C@H](C)NS(=O)(=O)c1ccccc1C#CCCO ZINC000049106156 183713454 /nfs/dbraw/zinc/71/34/54/183713454.db2.gz DFWQHHVWWRHCOF-KBPBESRZSA-N 0 0 309.431 2.133 10 30 DEEERN CC[C@@H](C#N)N1CCN(c2ccc(Br)cn2)CC1 ZINC000110909794 194368921 /nfs/dbraw/zinc/36/89/21/194368921.db2.gz PSXPIGIGPJQJFW-LBPRGKRZSA-N 0 0 309.211 2.268 10 30 DEEERN CC(C)COC1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000056129799 184005338 /nfs/dbraw/zinc/00/53/38/184005338.db2.gz DWZUSAHFUBIUNT-UHFFFAOYSA-N 0 0 322.430 2.384 10 30 DEEERN N#C[C@H]1CCC[C@H]1N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000061891855 184192951 /nfs/dbraw/zinc/19/29/51/184192951.db2.gz RVICGFLTUFDDFB-HONMWMINSA-N 0 0 308.378 2.326 10 30 DEEERN N#Cc1c2c(sc1NC(=O)c1n[nH]cc1N)CCCCC2 ZINC000062811207 184253777 /nfs/dbraw/zinc/25/37/77/184253777.db2.gz XJTGJIJBJAXAOX-UHFFFAOYSA-N 0 0 301.375 2.446 10 30 DEEERN CC(C)CC[C@H](C)NS(=O)(=O)c1ccc(C#CCO)cc1 ZINC000069235799 184505150 /nfs/dbraw/zinc/50/51/50/184505150.db2.gz DJDCTHIMJZRAQS-AWEZNQCLSA-N 0 0 309.431 2.133 10 30 DEEERN COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)Cc1cccc(C#N)c1 ZINC000537903510 285020551 /nfs/dbraw/zinc/02/05/51/285020551.db2.gz OBONNZOZCNEJSF-CRAIPNDOSA-N 0 0 314.385 2.339 10 30 DEEERN C=CCCOCCNC(=O)Nc1ccc(OC)c(OC)c1OC ZINC000270366197 208443365 /nfs/dbraw/zinc/44/33/65/208443365.db2.gz SKNXHOCYIKPVFV-UHFFFAOYSA-N 0 0 324.377 2.427 10 30 DEEERN C#CC[C@@H](CC)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1 ZINC000159180527 197333856 /nfs/dbraw/zinc/33/38/56/197333856.db2.gz PAYLPSKVFYJDRO-SSDOTTSWSA-N 0 0 322.795 2.390 10 30 DEEERN Cc1cc(N2CC[C@@H](Sc3cccc(C#N)c3)C2=O)n(C)n1 ZINC000158827242 197304951 /nfs/dbraw/zinc/30/49/51/197304951.db2.gz FULXUGWLRIOSAL-CQSZACIVSA-N 0 0 312.398 2.498 10 30 DEEERN O=C(NCC(F)(F)F)Nc1ccc(C#CCCO)c(F)c1 ZINC000158097971 197243961 /nfs/dbraw/zinc/24/39/61/197243961.db2.gz MSPIDXXZVCHGCL-UHFFFAOYSA-N 0 0 304.243 2.243 10 30 DEEERN CC[C@@H]1CN(C(=O)c2cccc(C#CCO)c2C)CCS1 ZINC000157971491 197232042 /nfs/dbraw/zinc/23/20/42/197232042.db2.gz BKGQVXMFVDFAMM-OAHLLOKOSA-N 0 0 303.427 2.306 10 30 DEEERN C=CCN(CC=C)C(=O)CN1CCO[C@H](c2cccs2)C1 ZINC000157756546 197212691 /nfs/dbraw/zinc/21/26/91/197212691.db2.gz CMJOSUSBINUBSL-AWEZNQCLSA-N 0 0 306.431 2.322 10 30 DEEERN N#C[C@@]1(Cc2ccn(C3CCCCC3)n2)CCS(=O)(=O)C1 ZINC000157583405 197199577 /nfs/dbraw/zinc/19/95/77/197199577.db2.gz CUDFFYBRHWTMPY-HNNXBMFYSA-N 0 0 307.419 2.259 10 30 DEEERN CC(C)(C)c1ccc([C@@H](O)[C@@]2(C#N)CCS(=O)(=O)C2)s1 ZINC000157665262 197205941 /nfs/dbraw/zinc/20/59/41/197205941.db2.gz UCMJDLXUCYPWNT-TZMCWYRMSA-N 0 0 313.444 2.407 10 30 DEEERN Cc1cccc(S(=O)(=O)N(CC(F)F)C2CC2)c1C#N ZINC000157336565 197179829 /nfs/dbraw/zinc/17/98/29/197179829.db2.gz MKMIKOHGODLBDV-UHFFFAOYSA-N 0 0 300.330 2.285 10 30 DEEERN CSC(C)(C)CNC(=O)c1ccc(C#CCCO)cc1F ZINC000157176340 197167815 /nfs/dbraw/zinc/16/78/15/197167815.db2.gz VHKJZAKLRDAPMJ-UHFFFAOYSA-N 0 0 309.406 2.431 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)c2nnc(Cl)s2)cc1 ZINC000157138715 197165141 /nfs/dbraw/zinc/16/51/41/197165141.db2.gz BYMDFUHLWRPUNQ-UHFFFAOYSA-N 0 0 322.777 2.360 10 30 DEEERN N#Cc1ncn(CC(=O)c2ccc(Br)s2)c1C#N ZINC000156221708 197096425 /nfs/dbraw/zinc/09/64/25/197096425.db2.gz MPVSRZZVCUOJRT-UHFFFAOYSA-N 0 0 321.159 2.333 10 30 DEEERN COC(=O)[C@@]12CCC[C@H]1CN(c1ncc(C#N)cc1Cl)C2 ZINC000302179448 533154960 /nfs/dbraw/zinc/15/49/60/533154960.db2.gz NPKYYFMINPTFBI-XHDPSFHLSA-N 0 0 305.765 2.386 10 30 DEEERN Cn1ccnc1C[C@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000120369400 195153138 /nfs/dbraw/zinc/15/31/38/195153138.db2.gz NOJAKAZJHRUJBE-OAHLLOKOSA-N 0 0 308.385 2.387 10 30 DEEERN N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2ncccn2)c1 ZINC000247693336 257118439 /nfs/dbraw/zinc/11/84/39/257118439.db2.gz XQKSLYCJCSEQCJ-DLBZAZTESA-N 0 0 305.385 2.201 10 30 DEEERN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)CC#N)cc1Cl ZINC000122802006 195503239 /nfs/dbraw/zinc/50/32/39/195503239.db2.gz WSMFPPKKNXWUHH-JTQLQIEISA-N 0 0 323.780 2.484 10 30 DEEERN CC(C)c1nc(Br)cc(N2CCO[C@@H](C#N)C2)n1 ZINC000124868870 195688357 /nfs/dbraw/zinc/68/83/57/195688357.db2.gz VMZDMYGLDJYHLX-VIFPVBQESA-N 0 0 311.183 2.091 10 30 DEEERN CC[C@@H]1CN(C(=O)c2cccc(C#N)c2)CCN1CC(F)F ZINC000124980501 195699511 /nfs/dbraw/zinc/69/95/11/195699511.db2.gz XGZJCPRXSWCWDW-CQSZACIVSA-N 0 0 307.344 2.360 10 30 DEEERN N#Cc1cnc(NCCc2ccn(-c3ccc(F)cc3)n2)cn1 ZINC000125764721 195783668 /nfs/dbraw/zinc/78/36/68/195783668.db2.gz LUYZCGZRWCFARR-UHFFFAOYSA-N 0 0 308.320 2.328 10 30 DEEERN COCc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000369319188 533249037 /nfs/dbraw/zinc/24/90/37/533249037.db2.gz LGKASGUEMLTIQU-MRXNPFEDSA-N 0 0 314.389 2.037 10 30 DEEERN COCc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000369319187 533249981 /nfs/dbraw/zinc/24/99/81/533249981.db2.gz LGKASGUEMLTIQU-INIZCTEOSA-N 0 0 314.389 2.037 10 30 DEEERN C[C@@H](CC1CCCCC1)C(=O)N1CCN(C(=O)CC#N)CC1 ZINC000408192580 533507880 /nfs/dbraw/zinc/50/78/80/533507880.db2.gz NGNHZPKQYLSQMU-AWEZNQCLSA-N 0 0 305.422 2.177 10 30 DEEERN COC(=O)C[C@@H]1CCCN1C(=O)NCC1CCC(C#N)CC1 ZINC000440996771 533622812 /nfs/dbraw/zinc/62/28/12/533622812.db2.gz CMDMFEVNSZRYNZ-RUXDESIVSA-N 0 0 307.394 2.053 10 30 DEEERN Cc1cccc([C@@H](CNc2ccncc2C#N)N2CCOCC2)c1 ZINC000545947727 285461117 /nfs/dbraw/zinc/46/11/17/285461117.db2.gz GMFCKWNWPGGNPZ-LJQANCHMSA-N 0 0 322.412 2.169 10 30 DEEERN CCS(=O)(=O)Cc1noc(/C=C\c2cccc(C#N)c2)n1 ZINC000357520849 133082888 /nfs/dbraw/zinc/08/28/88/133082888.db2.gz YTDSJJDYTWKIKX-SREVYHEPSA-N 0 0 303.343 2.046 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCOc2cc(O)ccc2C1 ZINC000376398365 133293335 /nfs/dbraw/zinc/29/33/35/133293335.db2.gz WWUGXFCOWDGNSX-UHFFFAOYSA-N 0 0 300.339 2.360 10 30 DEEERN N#Cc1ncccc1N1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000377971707 133351910 /nfs/dbraw/zinc/35/19/10/133351910.db2.gz NZLDAHUNWVALNN-AWEZNQCLSA-N 0 0 318.384 2.455 10 30 DEEERN COCc1nccc([C@@H]2CCCN(c3cccnc3C#N)C2)n1 ZINC000377993098 133353253 /nfs/dbraw/zinc/35/32/53/133353253.db2.gz CAYONNBLJBAHEJ-CYBMUJFWSA-N 0 0 309.373 2.274 10 30 DEEERN O=C[C@H]1CCCCN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000054268379 134772340 /nfs/dbraw/zinc/77/23/40/134772340.db2.gz RHFXHPFKYYLOEG-SECBINFHSA-N 0 0 314.139 2.310 10 30 DEEERN CCC[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2C#N)CCO1 ZINC000089469180 144590216 /nfs/dbraw/zinc/59/02/16/144590216.db2.gz POFXFFJKSUUENI-DZGCQCFKSA-N 0 0 302.374 2.353 10 30 DEEERN N#Cc1ccc(OCC(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000135785031 144787182 /nfs/dbraw/zinc/78/71/82/144787182.db2.gz JZOQWLZCPNMGKM-QGZVFWFLSA-N 0 0 323.352 2.012 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000178626262 144861921 /nfs/dbraw/zinc/86/19/21/144861921.db2.gz DHGXZSRFWUHTAD-OAHLLOKOSA-N 0 0 319.364 2.402 10 30 DEEERN Cc1ccc([C@@H]2CN(C(=O)c3ccc(C#N)c(C)n3)CCO2)o1 ZINC000179346302 144873845 /nfs/dbraw/zinc/87/38/45/144873845.db2.gz VSCBRNQGWDXHPL-INIZCTEOSA-N 0 0 311.341 2.377 10 30 DEEERN CCCCO[C@H](C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183657830 144933082 /nfs/dbraw/zinc/93/30/82/144933082.db2.gz VXNMXWCAENGGPW-GFCCVEGCSA-N 0 0 313.361 2.283 10 30 DEEERN CN(CCCn1ccnc1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188746606 145016845 /nfs/dbraw/zinc/01/68/45/145016845.db2.gz VHNNSGMCEXDPLV-UHFFFAOYSA-N 0 0 308.385 2.335 10 30 DEEERN CN(CC1(CO)CC1)C(=O)CSCc1ccc(C#N)cc1 ZINC000189106122 145022727 /nfs/dbraw/zinc/02/27/27/145022727.db2.gz JJJVYWDKLVBSPL-UHFFFAOYSA-N 0 0 304.415 2.022 10 30 DEEERN N#Cc1ccc(Cn2cc(CCO)c(C(F)(F)F)n2)cc1F ZINC000190124570 145038260 /nfs/dbraw/zinc/03/82/60/145038260.db2.gz CHYWPYWMFCEPQW-UHFFFAOYSA-N 0 0 313.254 2.496 10 30 DEEERN CCc1nnc(C2CCN(C(=O)c3cccc(C#N)c3)CC2)[nH]1 ZINC000191482658 145059635 /nfs/dbraw/zinc/05/96/35/145059635.db2.gz CZMLUCGIROVUDV-UHFFFAOYSA-N 0 0 309.373 2.259 10 30 DEEERN COc1ccnc(NC2CCN(Cc3ccccc3C#N)CC2)n1 ZINC000191688835 145062978 /nfs/dbraw/zinc/06/29/78/145062978.db2.gz CTEVXVKGTOEDEM-UHFFFAOYSA-N 0 0 323.400 2.433 10 30 DEEERN Cn1ccnc1-c1csc(NC(=O)c2ccnc(C#N)c2)n1 ZINC000193591200 145087168 /nfs/dbraw/zinc/08/71/68/145087168.db2.gz RHXCRTOVNBMEAW-UHFFFAOYSA-N 0 0 310.342 2.063 10 30 DEEERN N#Cc1cccc(OCCCCC(=O)NC[C@@H](CO)C2CC2)c1 ZINC000358298578 147108760 /nfs/dbraw/zinc/10/87/60/147108760.db2.gz GAYIHJINDVBPDA-INIZCTEOSA-N 0 0 316.401 2.242 10 30 DEEERN COc1ccc2c(c1)OC[C@@H](NC(=O)c1sccc1C#N)C2 ZINC000371330908 148088037 /nfs/dbraw/zinc/08/80/37/148088037.db2.gz YPNVDZQIHQACBM-LBPRGKRZSA-N 0 0 314.366 2.362 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000408129153 148566942 /nfs/dbraw/zinc/56/69/42/148566942.db2.gz NOXKCOQKKAYKJN-CYBMUJFWSA-N 0 0 317.414 2.094 10 30 DEEERN N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000111922699 401728170 /nfs/dbraw/zinc/72/81/70/401728170.db2.gz FXGGTNKUQCGXRS-RDJZCZTQSA-N 0 0 319.364 2.417 10 30 DEEERN COc1ccc(O)c(C=NNc2nnc(SC(C)C)[nH]2)c1 ZINC000005911260 401730850 /nfs/dbraw/zinc/73/08/50/401730850.db2.gz AOVQVZKUIBOZDN-VGOFMYFVSA-N 0 0 307.379 2.465 10 30 DEEERN C#CCCCCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000127594730 401741711 /nfs/dbraw/zinc/74/17/11/401741711.db2.gz PQBLSROWCLIWKD-WBVHZDCISA-N 0 0 316.376 2.265 10 30 DEEERN O=C(C[n+]1cccc([O-])c1)N1CCC(Cc2ccccc2)CC1 ZINC000007644326 401742692 /nfs/dbraw/zinc/74/26/92/401742692.db2.gz CMPWAVMALNKRJC-UHFFFAOYSA-O 0 0 311.405 2.161 10 30 DEEERN C=CCCS(=O)(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000372188502 404488362 /nfs/dbraw/zinc/48/83/62/404488362.db2.gz RZYIQEGKCWBJGA-MRXNPFEDSA-N 0 0 307.415 2.414 10 30 DEEERN N#Cc1cnc(N2CCC[C@H](Cn3cncn3)C2)c(Cl)c1 ZINC000114709678 401806754 /nfs/dbraw/zinc/80/67/54/401806754.db2.gz SFSQNHCLQTWTJJ-NSHDSACASA-N 0 0 302.769 2.115 10 30 DEEERN CCOCCN1CCN(c2ncc(C#N)cc2Cl)C[C@@H]1C ZINC000114709529 401806836 /nfs/dbraw/zinc/80/68/36/401806836.db2.gz PABWIKLROHULMT-LBPRGKRZSA-N 0 0 308.813 2.154 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC000127862591 401753183 /nfs/dbraw/zinc/75/31/83/401753183.db2.gz NGQJSTNCMLHRFY-UHFFFAOYSA-N 0 0 313.279 2.057 10 30 DEEERN C=CCNc1ncc(C(=O)NCc2cccc(OC)n2)s1 ZINC000128387620 401774822 /nfs/dbraw/zinc/77/48/22/401774822.db2.gz YVEUNOHZIYGTLM-UHFFFAOYSA-N 0 0 304.375 2.075 10 30 DEEERN N#Cc1ccccc1OCC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113895651 401786681 /nfs/dbraw/zinc/78/66/81/401786681.db2.gz JVFWYEMHOXXDEN-HNNXBMFYSA-N 0 0 310.357 2.414 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ccc(C#N)cn2)C1 ZINC000077742053 401828248 /nfs/dbraw/zinc/82/82/48/401828248.db2.gz ASWWJTOZBPULAU-LBPRGKRZSA-N 0 0 316.361 2.149 10 30 DEEERN CC(C)CCCNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000078324285 401847086 /nfs/dbraw/zinc/84/70/86/401847086.db2.gz YIWXHFINPKFUGA-UHFFFAOYSA-N 0 0 315.421 2.221 10 30 DEEERN CC(C)c1nc([C@@H]2CCCN2CCC(=O)N(C)CCC#N)no1 ZINC000131383354 401849787 /nfs/dbraw/zinc/84/97/87/401849787.db2.gz JBKHBOYXTFXHBO-ZDUSSCGKSA-N 0 0 319.409 2.092 10 30 DEEERN C=C[C@](C)(CC)C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000135051011 401925510 /nfs/dbraw/zinc/92/55/10/401925510.db2.gz GNQDFUFOJAIIQY-GOSISDBHSA-N 0 0 318.465 2.283 10 30 DEEERN CCOC[C@H]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000081427824 401895719 /nfs/dbraw/zinc/89/57/19/401895719.db2.gz AQSQIXXGJGWANC-KBPBESRZSA-N 0 0 302.374 2.211 10 30 DEEERN C=CCSCCNC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000134718694 401912302 /nfs/dbraw/zinc/91/23/02/401912302.db2.gz DOOMBXBVBINMEP-AWEZNQCLSA-N 0 0 307.419 2.164 10 30 DEEERN N#Cc1ccccc1OCC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000135712899 401951242 /nfs/dbraw/zinc/95/12/42/401951242.db2.gz CYKLFSVLPZSQAS-INIZCTEOSA-N 0 0 323.352 2.012 10 30 DEEERN CC#CCNC(=O)N1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000136053038 401958948 /nfs/dbraw/zinc/95/89/48/401958948.db2.gz AUGODOXMAVFWHZ-CYBMUJFWSA-N 0 0 302.374 2.226 10 30 DEEERN C#Cc1cccc(NC(=O)[C@@H](CCCC)NC(=O)NCC)c1 ZINC000137131421 401979926 /nfs/dbraw/zinc/97/99/26/401979926.db2.gz OMSUITISIWKNJJ-OAHLLOKOSA-N 0 0 301.390 2.484 10 30 DEEERN C=C(C)COc1cccc(NC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000150839041 401998822 /nfs/dbraw/zinc/99/88/22/401998822.db2.gz WSNFYKNBCBOOFJ-MRXNPFEDSA-N 0 0 319.405 2.094 10 30 DEEERN C=C(C)COCCNC(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000119375797 401945767 /nfs/dbraw/zinc/94/57/67/401945767.db2.gz BIQIZPILVLYNTK-UHFFFAOYSA-N 0 0 305.378 2.384 10 30 DEEERN CCn1cnnc1C1CCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000121186004 402019136 /nfs/dbraw/zinc/01/91/36/402019136.db2.gz RGKFWDNYGJLABS-UHFFFAOYSA-N 0 0 323.400 2.498 10 30 DEEERN C=CCOc1ccccc1CN1CCN(C(=O)NCC)CC1 ZINC000121580182 402045467 /nfs/dbraw/zinc/04/54/67/402045467.db2.gz YIGWPIVMRHHMLF-UHFFFAOYSA-N 0 0 303.406 2.099 10 30 DEEERN Cc1cc(Br)ccc1NC(=O)Cn1ccnc1C#N ZINC000152187362 402080738 /nfs/dbraw/zinc/08/07/38/402080738.db2.gz MJMAGCSTFXMUJX-UHFFFAOYSA-N 0 0 319.162 2.464 10 30 DEEERN C=CCN(C(=O)[C@@H]1CCCCO1)c1nc(C(=O)OCC)cs1 ZINC000122155816 402064308 /nfs/dbraw/zinc/06/43/08/402064308.db2.gz CMQWLXUVQQEQBI-LBPRGKRZSA-N 0 0 324.402 2.408 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccnn1C ZINC000123413614 402126500 /nfs/dbraw/zinc/12/65/00/402126500.db2.gz AREBKOHBNPAZPV-UHFFFAOYSA-N 0 0 300.318 2.157 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000103280630 402183507 /nfs/dbraw/zinc/18/35/07/402183507.db2.gz GUZXDABFFBFJDQ-SWLSCSKDSA-N 0 0 314.389 2.300 10 30 DEEERN CCOC(=O)CN(CC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000154540579 402217685 /nfs/dbraw/zinc/21/76/85/402217685.db2.gz XBVYZVXNVZVNIE-UHFFFAOYSA-N 0 0 323.418 2.222 10 30 DEEERN C=CCCn1ncc(Br)c(Br)c1=O ZINC000125358127 402227391 /nfs/dbraw/zinc/22/73/91/402227391.db2.gz RKIMYQWCRQVEKS-UHFFFAOYSA-N 0 0 307.973 2.344 10 30 DEEERN CC(C)[C@@](C)(C#N)NC(=O)CN1CCO[C@H](c2ccsc2)C1 ZINC000125737565 402247548 /nfs/dbraw/zinc/24/75/48/402247548.db2.gz RKIQSNIAWOJVPI-GOEBONIOSA-N 0 0 321.446 2.176 10 30 DEEERN C=CCOCCCC(=O)N1CCN(CC(F)F)[C@H](CC)C1 ZINC000125916212 402256543 /nfs/dbraw/zinc/25/65/43/402256543.db2.gz PXCIZAWKMDOALC-CYBMUJFWSA-N 0 0 304.381 2.157 10 30 DEEERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000108613381 402258649 /nfs/dbraw/zinc/25/86/49/402258649.db2.gz RZDGPOGLTSLHEY-JQWIXIFHSA-N 0 0 303.387 2.155 10 30 DEEERN N#C[C@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)C1CC1 ZINC000108832985 402262405 /nfs/dbraw/zinc/26/24/05/402262405.db2.gz XQJFTXJQSWJAQS-AWEZNQCLSA-N 0 0 310.357 2.478 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CCOCC ZINC000068874637 402207926 /nfs/dbraw/zinc/20/79/26/402207926.db2.gz TYUFDWZJQCNNMU-UHFFFAOYSA-N 0 0 315.347 2.068 10 30 DEEERN C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CNC(=O)C1 ZINC000108981681 402265658 /nfs/dbraw/zinc/26/56/58/402265658.db2.gz MXDXEZUDIJAWGZ-WDEREUQCSA-N 0 0 303.387 2.155 10 30 DEEERN N#CC1(C(=O)N2CCC[C@H](c3nccs3)C2)CCOCC1 ZINC000109143290 402268912 /nfs/dbraw/zinc/26/89/12/402268912.db2.gz XBBCZGXMLWMTLB-LBPRGKRZSA-N 0 0 305.403 2.169 10 30 DEEERN CCCCCCN(CCN1CCOCC1)c1cnc(C#N)cn1 ZINC000126251740 402271335 /nfs/dbraw/zinc/27/13/35/402271335.db2.gz OLYRDQWVKWNXSU-UHFFFAOYSA-N 0 0 317.437 2.067 10 30 DEEERN CNC(=O)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000185033809 402318491 /nfs/dbraw/zinc/31/84/91/402318491.db2.gz DQBMRDSEJCOWHQ-UHFFFAOYSA-N 0 0 323.352 2.212 10 30 DEEERN COc1ccccc1N1CCC(Nc2cnc(C#N)cn2)CC1 ZINC000185296451 402341570 /nfs/dbraw/zinc/34/15/70/402341570.db2.gz IVDUVNXHQMEZBV-UHFFFAOYSA-N 0 0 309.373 2.438 10 30 DEEERN N#C[C@H]1CN(C(=O)NCc2cccc(-c3ccccn3)c2)CCO1 ZINC000160370951 402342958 /nfs/dbraw/zinc/34/29/58/402342958.db2.gz FIXDAZGETMIJQA-INIZCTEOSA-N 0 0 322.368 2.183 10 30 DEEERN C#CCC(C)(C)C(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000185591766 402363289 /nfs/dbraw/zinc/36/32/89/402363289.db2.gz HXHFDVFYAZLYPR-HNNXBMFYSA-N 0 0 302.422 2.183 10 30 DEEERN Cc1cc(C(=O)Nc2nn(C(C)C)cc2C#N)c2cnn(C)c2n1 ZINC000161095843 402372824 /nfs/dbraw/zinc/37/28/24/402372824.db2.gz AHOJQDQNFBJDTG-UHFFFAOYSA-N 0 0 323.360 2.178 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000161113263 402373372 /nfs/dbraw/zinc/37/33/72/402373372.db2.gz WUCSFFONZIQTIQ-UHFFFAOYSA-N 0 0 313.401 2.197 10 30 DEEERN CC1(C)CCCN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000177143043 402375096 /nfs/dbraw/zinc/37/50/96/402375096.db2.gz LGHJSWVTLOGLOM-UHFFFAOYSA-N 0 0 300.330 2.400 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCNc1cc(Cl)ccc1OC ZINC000185818289 402380201 /nfs/dbraw/zinc/38/02/01/402380201.db2.gz ZYBLIOGHEXVLPJ-GFCCVEGCSA-N 0 0 312.797 2.204 10 30 DEEERN CCn1c2ccc(C#N)cc2nc1NC(=O)CCc1ccnn1C ZINC000185848377 402382432 /nfs/dbraw/zinc/38/24/32/402382432.db2.gz VHFKFADFGCNBJH-UHFFFAOYSA-N 0 0 322.372 2.233 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000185845583 402382441 /nfs/dbraw/zinc/38/24/41/402382441.db2.gz DMKSFYCSADIWGS-VIFPVBQESA-N 0 0 318.251 2.280 10 30 DEEERN CCCn1c(C)nnc1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000161380816 402385246 /nfs/dbraw/zinc/38/52/46/402385246.db2.gz MPEFNJYCKLXKFC-UHFFFAOYSA-N 0 0 321.388 2.483 10 30 DEEERN COc1ccc([C@H](C)NC(=O)c2cc(C#N)cn2C)cc1OC ZINC000176663097 402327326 /nfs/dbraw/zinc/32/73/26/402327326.db2.gz BDGLVVXYJFIEFD-NSHDSACASA-N 0 0 313.357 2.405 10 30 DEEERN CCOc1ccc(CNC(=O)c2cc(C#N)cn2C)cc1OC ZINC000176712007 402329880 /nfs/dbraw/zinc/32/98/80/402329880.db2.gz UAGOIKSTHZFWSH-UHFFFAOYSA-N 0 0 313.357 2.234 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000185983351 402395006 /nfs/dbraw/zinc/39/50/06/402395006.db2.gz LDMSSIDUAUSCNU-LBPRGKRZSA-N 0 0 300.362 2.112 10 30 DEEERN COC(=O)Cc1ccccc1NC(=O)Cc1ccc(C#N)cc1 ZINC000177377642 402396274 /nfs/dbraw/zinc/39/62/74/402396274.db2.gz UHXOBWTUEVSCLP-UHFFFAOYSA-N 0 0 308.337 2.455 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCCOc1ccc2c(c1)OCO2 ZINC000161831211 402400755 /nfs/dbraw/zinc/40/07/55/402400755.db2.gz OLPLMDJVRKNLQF-UHFFFAOYSA-N 0 0 324.336 2.404 10 30 DEEERN C[C@]1(C(=O)N[C@H](C#N)C2CC2)CCCN1C(=O)c1ccccc1 ZINC000161834222 402400761 /nfs/dbraw/zinc/40/07/61/402400761.db2.gz XOQZBCQLXKAKMG-CRAIPNDOSA-N 0 0 311.385 2.100 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162554970 402423922 /nfs/dbraw/zinc/42/39/22/402423922.db2.gz IJBSJCDPTGBWSY-CQSZACIVSA-N 0 0 305.422 2.182 10 30 DEEERN CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000177707328 402428873 /nfs/dbraw/zinc/42/88/73/402428873.db2.gz NTWMZFBSWWQVDN-JKSUJKDBSA-N 0 0 320.481 2.134 10 30 DEEERN C[C@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CCC1=O ZINC000186563756 402442011 /nfs/dbraw/zinc/44/20/11/402442011.db2.gz FFGPHBAIFADMCE-LBPRGKRZSA-N 0 0 302.399 2.229 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000186658432 402451951 /nfs/dbraw/zinc/45/19/51/402451951.db2.gz FTKSYAKCIOUKHH-SNVBAGLBSA-N 0 0 310.202 2.209 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1csc(-c2ccc(OC)cc2)n1 ZINC000185930395 402390376 /nfs/dbraw/zinc/39/03/76/402390376.db2.gz KEJSRBSWMYPRJK-LBPRGKRZSA-N 0 0 318.398 2.486 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000178556216 402511397 /nfs/dbraw/zinc/51/13/97/402511397.db2.gz FCGBJZVKWBZJHI-AAEUAGOBSA-N 0 0 300.362 2.032 10 30 DEEERN C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000186711048 402458202 /nfs/dbraw/zinc/45/82/02/402458202.db2.gz URMIOTLDWUECAF-UKRRQHHQSA-N 0 0 308.397 2.250 10 30 DEEERN N#CC1(CS(=O)(=O)N2CCC[C@@H]2Cc2cccc(F)c2)CC1 ZINC000164745670 402468203 /nfs/dbraw/zinc/46/82/03/402468203.db2.gz YWQCIGRFCMTTQV-OAHLLOKOSA-N 0 0 322.405 2.466 10 30 DEEERN COc1cccc(F)c1[C@H](C)NS(=O)(=O)CC1(C#N)CC1 ZINC000165702118 402477975 /nfs/dbraw/zinc/47/79/75/402477975.db2.gz COOVRWWVZGACHP-JTQLQIEISA-N 0 0 312.366 2.118 10 30 DEEERN N#Cc1ccc(OCCNC(=O)NCCCc2ccccn2)cc1 ZINC000178391194 402492925 /nfs/dbraw/zinc/49/29/25/402492925.db2.gz SQLVAFSUYRFKCW-UHFFFAOYSA-N 0 0 324.384 2.264 10 30 DEEERN C=CCNc1ncc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)s1 ZINC000245927611 402498489 /nfs/dbraw/zinc/49/84/89/402498489.db2.gz JCCDXLQSDFAHQV-QJPTWQEYSA-N 0 0 307.419 2.428 10 30 DEEERN CCn1cc([C@H]2CN(c3nc(C)cc(C)c3C#N)CCO2)cn1 ZINC000189606349 402547889 /nfs/dbraw/zinc/54/78/89/402547889.db2.gz ODSFHYATJRHLQA-MRXNPFEDSA-N 0 0 311.389 2.364 10 30 DEEERN Cc1nnc(Cn2cc(C#N)c(=O)c3ccccc32)n1C1CC1 ZINC000171554600 402593994 /nfs/dbraw/zinc/59/39/94/402593994.db2.gz FQDDDZVGMNRMFG-UHFFFAOYSA-N 0 0 305.341 2.156 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@H]2CCc3cc(Cl)ccc32)CCO1 ZINC000171601383 402600204 /nfs/dbraw/zinc/60/02/04/402600204.db2.gz BFVBZKBVZHTKSM-OCCSQVGLSA-N 0 0 305.765 2.261 10 30 DEEERN N#CC1(c2ccc(C(=O)N3CC[C@@](O)(C(F)(F)F)C3)cc2)CC1 ZINC000180455291 402616840 /nfs/dbraw/zinc/61/68/40/402616840.db2.gz LTIGPNMUHANXOR-HNNXBMFYSA-N 0 0 324.302 2.381 10 30 DEEERN C[C@@H](CC#N)NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000171768556 402620306 /nfs/dbraw/zinc/62/03/06/402620306.db2.gz SZKRYSFKWYAGID-ZETCQYMHSA-N 0 0 307.151 2.357 10 30 DEEERN CN(c1cccnc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000171879422 402631248 /nfs/dbraw/zinc/63/12/48/402631248.db2.gz UDOFLIUBJSDLMM-UHFFFAOYSA-N 0 0 307.762 2.432 10 30 DEEERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCCCCC#N)C2)n1 ZINC000172133854 402642188 /nfs/dbraw/zinc/64/21/88/402642188.db2.gz OBNBMORARXMGJY-OAHLLOKOSA-N 0 0 318.425 2.010 10 30 DEEERN C=CCC[C@@H](C(=O)N1CCN(CCO)[C@@H](C)C1)c1ccccc1 ZINC000249870893 402643183 /nfs/dbraw/zinc/64/31/83/402643183.db2.gz GDWKLBCTIYJVPT-FUHWJXTLSA-N 0 0 316.445 2.261 10 30 DEEERN CSCCCC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000172508142 402660097 /nfs/dbraw/zinc/66/00/97/402660097.db2.gz NNAGDPGCENEGHM-UHFFFAOYSA-N 0 0 321.421 2.489 10 30 DEEERN COC(C)(C)C[C@H](C)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000173765639 402711776 /nfs/dbraw/zinc/71/17/76/402711776.db2.gz WDPDAKFEFKQVOG-ZDUSSCGKSA-N 0 0 319.405 2.440 10 30 DEEERN CC[C@H](C#N)NC(=O)Cc1cc(Br)ccc1OC ZINC000173380782 402694826 /nfs/dbraw/zinc/69/48/26/402694826.db2.gz XEEGWTQFYAKWHP-LLVKDONJSA-N 0 0 311.179 2.419 10 30 DEEERN COC(=O)[C@@H](N[C@H](CO)c1ccccc1)c1cccc(C#N)c1 ZINC000182916316 402726859 /nfs/dbraw/zinc/72/68/59/402726859.db2.gz CVSZGDFQMWEICN-SJORKVTESA-N 0 0 310.353 2.096 10 30 DEEERN N#CC1CCN(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000174407599 402739565 /nfs/dbraw/zinc/73/95/65/402739565.db2.gz WILIFQPZWBRNRO-LSDHHAIUSA-N 0 0 301.394 2.312 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCCCN(C)c1ccccc1 ZINC000183178950 402745117 /nfs/dbraw/zinc/74/51/17/402745117.db2.gz SEEGKDRSEVDUDI-HNNXBMFYSA-N 0 0 305.422 2.139 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1cccc(OCC(C)C)c1 ZINC000183209157 402747222 /nfs/dbraw/zinc/74/72/22/402747222.db2.gz VXSCNPUYPLNSSD-OAHLLOKOSA-N 0 0 306.406 2.458 10 30 DEEERN C=CCCCC(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1C ZINC000183735671 402793619 /nfs/dbraw/zinc/79/36/19/402793619.db2.gz GSPOVDGLFFFAOO-MRXNPFEDSA-N 0 0 304.365 2.490 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000184103062 402818448 /nfs/dbraw/zinc/81/84/48/402818448.db2.gz JNVYXNVBCPKHDU-UHFFFAOYSA-N 0 0 309.369 2.021 10 30 DEEERN CCCCN1CCOC[C@@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000184192771 402825263 /nfs/dbraw/zinc/82/52/63/402825263.db2.gz MOPGNZZNSITYLT-MRXNPFEDSA-N 0 0 301.390 2.192 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(S(=O)(=O)NC)ccc1C ZINC000184233638 402828832 /nfs/dbraw/zinc/82/88/32/402828832.db2.gz QYQFHIXGXDTDCI-GFCCVEGCSA-N 0 0 310.419 2.444 10 30 DEEERN Cc1nccn1C[C@H]1CCCN1C(=O)NCc1cccc(C#N)c1 ZINC000175753146 402829322 /nfs/dbraw/zinc/82/93/22/402829322.db2.gz WNCBCERRVRSDTC-QGZVFWFLSA-N 0 0 323.400 2.437 10 30 DEEERN C=CC[C@H]1N(C(=O)CNC(=O)c2cccnc2)CCCC1(C)C ZINC000278120257 402857663 /nfs/dbraw/zinc/85/76/63/402857663.db2.gz LQADZLOVIJJBDR-OAHLLOKOSA-N 0 0 315.417 2.405 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000279243008 402920936 /nfs/dbraw/zinc/92/09/36/402920936.db2.gz GFRDBGOBSZSGEL-VIFPVBQESA-N 0 0 318.261 2.448 10 30 DEEERN C#CCCN1CCN(C(=O)c2ccc3c(c2O)CCCC3)CC1 ZINC000273266303 402988758 /nfs/dbraw/zinc/98/87/58/402988758.db2.gz CXBVNNJSJMJOHI-UHFFFAOYSA-N 0 0 312.413 2.052 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000273366399 402998504 /nfs/dbraw/zinc/99/85/04/402998504.db2.gz WYKWQHJQJJGBSZ-SECBINFHSA-N 0 0 300.261 2.067 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCCC1(C)C ZINC000266683314 402983496 /nfs/dbraw/zinc/98/34/96/402983496.db2.gz UDYKYFAOOMNSJQ-UHFFFAOYSA-N 0 0 318.348 2.177 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(OCCO)c(OC)c1 ZINC000274324158 403044913 /nfs/dbraw/zinc/04/49/13/403044913.db2.gz GXFXLVPFAUFWOM-CYBMUJFWSA-N 0 0 307.390 2.285 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)c2cccc3ncccc32)C1=O ZINC000281332709 403065908 /nfs/dbraw/zinc/06/59/08/403065908.db2.gz KWYIQDNGENIAQL-MRXNPFEDSA-N 0 0 309.369 2.094 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)CC(C)(C)C(F)(F)F)C1=O ZINC000281428336 403068392 /nfs/dbraw/zinc/06/83/92/403068392.db2.gz QOPQFDHARJNMGL-JTQLQIEISA-N 0 0 306.328 2.210 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000281472926 403069472 /nfs/dbraw/zinc/06/94/72/403069472.db2.gz UWQVIKHAYXTGDM-OAHLLOKOSA-N 0 0 313.405 2.140 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCCc1ccccn1 ZINC000281589085 403072472 /nfs/dbraw/zinc/07/24/72/403072472.db2.gz QEURKSOFNVKPSZ-GOEBONIOSA-N 0 0 303.406 2.295 10 30 DEEERN C=CCCCCNC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000274679003 403077784 /nfs/dbraw/zinc/07/77/84/403077784.db2.gz RAWPNRCEJVXMQH-MRXNPFEDSA-N 0 0 317.433 2.341 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)[C@]2(C)CCCNC2=O)[C@@]12CCCO2 ZINC000330307815 286313738 /nfs/dbraw/zinc/31/37/38/286313738.db2.gz LZDBIEGSOLFIJT-OJDYBEQGSA-N 0 0 310.394 2.426 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC000282157485 403128024 /nfs/dbraw/zinc/12/80/24/403128024.db2.gz CPBUYOSULCHVOB-AWEZNQCLSA-N 0 0 320.437 2.442 10 30 DEEERN C=CCc1cc(C(=O)N[C@@H]2CCCC[C@@H]2O)cc(OC)c1OC ZINC000269346704 403132332 /nfs/dbraw/zinc/13/23/32/403132332.db2.gz GZHQAVXIRXWGAH-CABCVRRESA-N 0 0 319.401 2.466 10 30 DEEERN C=CCn1c(N2CC[C@H](c3cnn(C)c3)C2)nnc1C(C)(C)C ZINC000282260875 403137563 /nfs/dbraw/zinc/13/75/63/403137563.db2.gz LLUSGVFETUZWFV-ZDUSSCGKSA-N 0 0 314.437 2.489 10 30 DEEERN CN(C(=O)N1CCN(c2ncccc2C#N)CC1)C1CCCC1 ZINC000282408891 403150958 /nfs/dbraw/zinc/15/09/58/403150958.db2.gz ATECNSWORDAEMG-UHFFFAOYSA-N 0 0 313.405 2.070 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 ZINC000277330310 403206099 /nfs/dbraw/zinc/20/60/99/403206099.db2.gz GINDAYDOFNKRRN-UHFFFAOYSA-N 0 0 324.380 2.423 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCOc1ccccc1Cl ZINC000283423070 403196612 /nfs/dbraw/zinc/19/66/12/403196612.db2.gz AXWDAPJGEAOOHT-UHFFFAOYSA-N 0 0 324.808 2.260 10 30 DEEERN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccnc(C#N)c1 ZINC000285438336 403296657 /nfs/dbraw/zinc/29/66/57/403296657.db2.gz ISOGYEXHRMNCQU-RYRKJORJSA-N 0 0 313.401 2.499 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N[C@@H]1CCOC[C@H]1C ZINC000277687177 403245476 /nfs/dbraw/zinc/24/54/76/403245476.db2.gz QPVXEZJMLMYWQE-UKRRQHHQSA-N 0 0 304.390 2.476 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCNC(=O)c1ccco1 ZINC000285983257 403424273 /nfs/dbraw/zinc/42/42/73/403424273.db2.gz XJAQXHCMUDWUOU-MRXNPFEDSA-N 0 0 324.380 2.150 10 30 DEEERN C=CCOCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000343299742 403530721 /nfs/dbraw/zinc/53/07/21/403530721.db2.gz MRYFWRQZIBWPOT-ZBFHGGJFSA-N 0 0 310.344 2.029 10 30 DEEERN C=CCCOCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000343299572 403531112 /nfs/dbraw/zinc/53/11/12/403531112.db2.gz GPRQUTLVLAVNOY-HUUCEWRRSA-N 0 0 310.438 2.026 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCCn1cccn1 ZINC000286742522 403544662 /nfs/dbraw/zinc/54/46/62/403544662.db2.gz UIBHNUDRYRKHLK-QGZVFWFLSA-N 0 0 310.401 2.207 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000286776343 403545370 /nfs/dbraw/zinc/54/53/70/403545370.db2.gz QNHMITVMOCPAAP-DJIMGWMZSA-N 0 0 300.402 2.488 10 30 DEEERN C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000346366139 403586594 /nfs/dbraw/zinc/58/65/94/403586594.db2.gz HLZVDCFFZHDNHZ-KDOFPFPSSA-N 0 0 318.417 2.107 10 30 DEEERN C=CCNC(=O)CN1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000287408367 403593309 /nfs/dbraw/zinc/59/33/09/403593309.db2.gz OJSFFBOAKZHGQC-CYBMUJFWSA-N 0 0 304.394 2.166 10 30 DEEERN N#Cc1ccc(N2CCC(Nc3nccnc3C#N)CC2)cc1 ZINC000301180854 403598873 /nfs/dbraw/zinc/59/88/73/403598873.db2.gz NEABFLUSRQKLOK-UHFFFAOYSA-N 0 0 304.357 2.301 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@]12CCCO2 ZINC000369901345 286348968 /nfs/dbraw/zinc/34/89/68/286348968.db2.gz FYVJOSVEVPGPLT-VBQJREDUSA-N 0 0 321.421 2.048 10 30 DEEERN C=CCN(CCC#N)C(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000293960140 403610033 /nfs/dbraw/zinc/61/00/33/403610033.db2.gz WBXXHXDXKSWHNT-CQSZACIVSA-N 0 0 321.446 2.006 10 30 DEEERN C#CCC(CC#C)C(=O)NCCNc1ccc2ccccc2n1 ZINC000287821598 403673550 /nfs/dbraw/zinc/67/35/50/403673550.db2.gz CHZNVDXJNXRBIW-UHFFFAOYSA-N 0 0 305.381 2.426 10 30 DEEERN N#Cc1cc(NCC2(CO)COC2)nc2ccc(Cl)cc12 ZINC000301776886 403677995 /nfs/dbraw/zinc/67/79/95/403677995.db2.gz LSZUYZLFNUMQTF-UHFFFAOYSA-N 0 0 303.749 2.181 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000347778398 403861767 /nfs/dbraw/zinc/86/17/67/403861767.db2.gz CSMZXXDMQWLCHW-ARFHVFGLSA-N 0 0 308.466 2.304 10 30 DEEERN C=CCN(C(=O)c1cc[nH]c1C1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000362582672 403967794 /nfs/dbraw/zinc/96/77/94/403967794.db2.gz ATVCKRSDWRDMBZ-CYBMUJFWSA-N 0 0 322.430 2.098 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@](C)(C(=O)OC)c1ccc(F)cc1 ZINC000362232333 403937489 /nfs/dbraw/zinc/93/74/89/403937489.db2.gz HKGIIBQMNKAECL-SJCJKPOMSA-N 0 0 323.364 2.311 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cnn(C)c1OC ZINC000411711847 403948425 /nfs/dbraw/zinc/94/84/25/403948425.db2.gz RIFSSNDRMLEHRR-UHFFFAOYSA-N 0 0 315.373 2.266 10 30 DEEERN C=CCNC(=O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 ZINC000362758797 403987632 /nfs/dbraw/zinc/98/76/32/403987632.db2.gz KMSXMMLKIJZGBG-DLBZAZTESA-N 0 0 311.385 2.311 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(c2cnccc2C)CC1 ZINC000337289385 403979324 /nfs/dbraw/zinc/97/93/24/403979324.db2.gz NSPRQHCCAUMOAD-NVXWUHKLSA-N 0 0 315.417 2.020 10 30 DEEERN C=CCNC(=O)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 ZINC000354854840 404058693 /nfs/dbraw/zinc/05/86/93/404058693.db2.gz IZDHPRMOSMOJLR-ZDUSSCGKSA-N 0 0 314.345 2.006 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@H](C)[C@H]1CCCO1)CCC2 ZINC000328655319 404125540 /nfs/dbraw/zinc/12/55/40/404125540.db2.gz MTVYLRNXZXGZQT-HZSPNIEDSA-N 0 0 306.410 2.140 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H](C)C1CCOCC1)CCC2 ZINC000328647810 404125627 /nfs/dbraw/zinc/12/56/27/404125627.db2.gz HSPUJHOGCICSCA-ZFWWWQNUSA-N 0 0 320.437 2.388 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@@]3(CCOC3)C1)CCC2 ZINC000328662411 404127202 /nfs/dbraw/zinc/12/72/02/404127202.db2.gz XIQQGFWQOCDIHW-WMLDXEAASA-N 0 0 318.421 2.095 10 30 DEEERN C=CCCC(=O)N[C@@H](C(=O)OC)c1ccc(OC)cc1OC ZINC000349269759 404141884 /nfs/dbraw/zinc/14/18/84/404141884.db2.gz VNUTUUUGPHZIDA-OAHLLOKOSA-N 0 0 307.346 2.000 10 30 DEEERN CNC(=O)[C@@H]1CCCN1C(=O)NC[C@@H]1CCCn2cc(C)nc21 ZINC000328746017 404142341 /nfs/dbraw/zinc/14/23/41/404142341.db2.gz LBPCUTGHBSADMM-STQMWFEESA-N 0 0 319.409 2.034 10 30 DEEERN C=CCN(CC=C)C(=O)CN1CCO[C@H](C2CCCCC2)C1 ZINC000349238091 404139053 /nfs/dbraw/zinc/13/90/53/404139053.db2.gz GIIJOYGFQCGHNO-KRWDZBQOSA-N 0 0 306.450 2.468 10 30 DEEERN C[C@@H]1CCC[C@H](CNC(=O)N2CCC[C@H]2Cn2ccnn2)C1 ZINC000329116803 404236618 /nfs/dbraw/zinc/23/66/18/404236618.db2.gz ISVVJWWNMKKOET-ILXRZTDVSA-N 0 0 305.426 2.483 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CCC(OCCOC)CC2)cc1 ZINC000296539105 404296664 /nfs/dbraw/zinc/29/66/64/404296664.db2.gz AVYLQFSMEZRSKP-UHFFFAOYSA-N 0 0 316.401 2.005 10 30 DEEERN CC(=O)N1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000291559392 404427667 /nfs/dbraw/zinc/42/76/67/404427667.db2.gz VHQRAYUZONHAOT-LBPRGKRZSA-N 0 0 323.299 2.109 10 30 DEEERN C=C[C@](C)(O)CC(=O)NCCc1cn(C)c2cc(C)ccc12 ZINC000356004600 404384691 /nfs/dbraw/zinc/38/46/91/404384691.db2.gz GSRSGHIPAHCUAY-SFHVURJKSA-N 0 0 300.402 2.473 10 30 DEEERN C=CCOCCCN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000356062397 404388875 /nfs/dbraw/zinc/38/88/75/404388875.db2.gz QEXYTKWTMBUXDW-INIZCTEOSA-N 0 0 306.337 2.185 10 30 DEEERN CN(CC(=O)NC1CCCCCC1)C[C@@H]1CCS(=O)(=O)C1 ZINC000329606057 404391584 /nfs/dbraw/zinc/39/15/84/404391584.db2.gz ZPRUTZQIDOKNOR-ZDUSSCGKSA-N 0 0 316.467 2.032 10 30 DEEERN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000329667238 404414811 /nfs/dbraw/zinc/41/48/11/404414811.db2.gz QLNXTEBMBUMGMO-MLGOLLRUSA-N 0 0 317.433 2.176 10 30 DEEERN CO[C@]1(C)CCCN(C(=O)NC[C@H]2CCCn3cc(C)nc32)C1 ZINC000329957453 404507461 /nfs/dbraw/zinc/50/74/61/404507461.db2.gz QEZYUGQWMAGUIA-RHSMWYFYSA-N 0 0 320.437 2.484 10 30 DEEERN Cc1cccc2c1OC[C@H]([NH+]=C([O-])N1CCc3cncnc3C1)C2 ZINC000329732010 404435772 /nfs/dbraw/zinc/43/57/72/404435772.db2.gz INBSXQRCKHHUFE-OAHLLOKOSA-N 0 0 324.384 2.061 10 30 DEEERN CC#CCN(C)C(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000297091399 404447741 /nfs/dbraw/zinc/44/77/41/404447741.db2.gz DSCCIWKYVXNSHH-HNNXBMFYSA-N 0 0 315.417 2.329 10 30 DEEERN C=CCn1c(CC(C)(C)C)nnc1N(CCOC)[C@H]1CCOC1 ZINC000350706348 404448262 /nfs/dbraw/zinc/44/82/62/404448262.db2.gz FNDYVRCEIAJURB-AWEZNQCLSA-N 0 0 322.453 2.294 10 30 DEEERN CC#CCN(C)C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000297457371 404557536 /nfs/dbraw/zinc/55/75/36/404557536.db2.gz SXKNTUDKNRMALZ-UHFFFAOYSA-N 0 0 313.401 2.368 10 30 DEEERN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCO[C@@H](C2CC2)C1 ZINC000330127907 404560198 /nfs/dbraw/zinc/56/01/98/404560198.db2.gz JFWAYOMACIKRMH-TZMCWYRMSA-N 0 0 306.410 2.124 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)Cc1cnc(OC)nc1C ZINC000352813961 404642075 /nfs/dbraw/zinc/64/20/75/404642075.db2.gz GCKDMKLFLNFEIY-UHFFFAOYSA-N 0 0 317.389 2.457 10 30 DEEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1ccnn1C ZINC000342477738 404603436 /nfs/dbraw/zinc/60/34/36/404603436.db2.gz YTTXXDZFLXPZHN-UHFFFAOYSA-N 0 0 315.421 2.345 10 30 DEEERN CC(C)c1nc([C@H]2CCCN(C(=O)N[C@@H]3CCO[C@@H]3C)C2)no1 ZINC000330269118 404608651 /nfs/dbraw/zinc/60/86/51/404608651.db2.gz RRLIIRYTQRNCSA-FRRDWIJNSA-N 0 0 322.409 2.464 10 30 DEEERN C[C@H]1OCC[C@H]1NC(=O)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000330273012 404609123 /nfs/dbraw/zinc/60/91/23/404609123.db2.gz YNZMLFWRKSHYNX-RDGWLKQMSA-N 0 0 310.438 2.339 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCc2c(cccc2NC(C)=O)C1 ZINC000365476563 404670093 /nfs/dbraw/zinc/67/00/93/404670093.db2.gz PUVLPQSZUGRKQD-UHFFFAOYSA-N 0 0 308.381 2.193 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CN(CC)Cc1ccccc1Cl ZINC000357645899 404740646 /nfs/dbraw/zinc/74/06/46/404740646.db2.gz BILNTWPWJYEPQW-AWEZNQCLSA-N 0 0 310.825 2.215 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)N[C@@H](COC)c1ccccc1 ZINC000357958704 404749104 /nfs/dbraw/zinc/74/91/04/404749104.db2.gz KRURTBWFMKWTIA-ZBFHGGJFSA-N 0 0 318.417 2.351 10 30 DEEERN C=C(CNC(=O)N(C)CC(=O)NC(C)(C)C)c1ccccc1 ZINC000358568022 404767175 /nfs/dbraw/zinc/76/71/75/404767175.db2.gz DOPDSWOLBAEUHK-UHFFFAOYSA-N 0 0 303.406 2.256 10 30 DEEERN C=CCN(CCOC)C(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000357056656 404726070 /nfs/dbraw/zinc/72/60/70/404726070.db2.gz XPEJHWCLQCAFEC-CYBMUJFWSA-N 0 0 305.422 2.299 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000358984825 404780285 /nfs/dbraw/zinc/78/02/85/404780285.db2.gz OZWRGHCXDHRJMY-LBPRGKRZSA-N 0 0 320.364 2.212 10 30 DEEERN C=CC[C@@H](CC)NC(=O)NC(C)(C)c1cc(C(=O)OC)on1 ZINC000359104226 404784351 /nfs/dbraw/zinc/78/43/51/404784351.db2.gz MVIKFFCOZBETPR-SNVBAGLBSA-N 0 0 309.366 2.350 10 30 DEEERN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCOC[C@@H](C)C1 ZINC000359230204 404787573 /nfs/dbraw/zinc/78/75/73/404787573.db2.gz MQBAJDWPZOXGMY-AWEZNQCLSA-N 0 0 313.405 2.389 10 30 DEEERN C=CCCS(=O)(=O)N1CCc2ccc(C(C)=O)cc2CC1 ZINC000360758215 404836795 /nfs/dbraw/zinc/83/67/95/404836795.db2.gz FRVQAJZWVNQKSE-UHFFFAOYSA-N 0 0 307.415 2.196 10 30 DEEERN C=CCOCCNC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000366724554 404837142 /nfs/dbraw/zinc/83/71/42/404837142.db2.gz SISHGGBRRRYFFI-KRWDZBQOSA-N 0 0 320.408 2.499 10 30 DEEERN C=CCNC(=O)CS(=O)(=O)Cc1c(C)c(C)c(C)c(C)c1C ZINC000359737322 404803464 /nfs/dbraw/zinc/80/34/64/404803464.db2.gz SIBZSTBMFACFAF-UHFFFAOYSA-N 0 0 323.458 2.446 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N1CC2(C1)CCOCC2 ZINC000366593345 404820854 /nfs/dbraw/zinc/82/08/54/404820854.db2.gz QBQKRUMWSRFHRJ-UHFFFAOYSA-N 0 0 318.348 2.482 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@](C)(c1noc(C)n1)C1CC1)OCC ZINC000353430408 404829180 /nfs/dbraw/zinc/82/91/80/404829180.db2.gz AGPLOISWRXCOHK-BBRMVZONSA-N 0 0 307.394 2.491 10 30 DEEERN C=CCOCCCC(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000360556472 404830692 /nfs/dbraw/zinc/83/06/92/404830692.db2.gz KBRPXYASQQDKBI-QGZVFWFLSA-N 0 0 319.401 2.276 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCN(CC(F)F)[C@H](CC)C1 ZINC000353445118 404832996 /nfs/dbraw/zinc/83/29/96/404832996.db2.gz GJTNUJPKNXAKMA-CZUORRHYSA-N 0 0 318.408 2.403 10 30 DEEERN CO[C@@H]1CCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)C1 ZINC000360998029 404872926 /nfs/dbraw/zinc/87/29/26/404872926.db2.gz VGEPCOJTUKLARV-GDBMZVCRSA-N 0 0 302.374 2.209 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC[C@@H](O)C2(C)C)cc1OC ZINC000361160793 404952524 /nfs/dbraw/zinc/95/25/24/404952524.db2.gz CABUXCYDNIVPST-OAHLLOKOSA-N 0 0 305.374 2.245 10 30 DEEERN N#Cc1ccnc(NC(=O)c2ccn(Cc3ccccc3)n2)c1 ZINC000436010861 405035777 /nfs/dbraw/zinc/03/57/77/405035777.db2.gz ZDJFVBKYPFQFGH-UHFFFAOYSA-N 0 0 303.325 2.450 10 30 DEEERN CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1ccc(C#N)n1C ZINC000451435539 404996021 /nfs/dbraw/zinc/99/60/21/404996021.db2.gz QPMJEFWKDDVMRR-QGZVFWFLSA-N 0 0 317.389 2.235 10 30 DEEERN CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1CCCCCC1 ZINC000451812664 405048387 /nfs/dbraw/zinc/04/83/87/405048387.db2.gz PDDVSAKBXRUSQU-ZDUSSCGKSA-N 0 0 301.456 2.273 10 30 DEEERN CN(C(=O)[C@@H]1CCN(c2ccncc2C#N)C1)c1ccccc1 ZINC000367466347 405058991 /nfs/dbraw/zinc/05/89/91/405058991.db2.gz VMKJUYSCRQABLI-CQSZACIVSA-N 0 0 306.369 2.443 10 30 DEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1nscc1Br ZINC000404954437 405069568 /nfs/dbraw/zinc/06/95/68/405069568.db2.gz RARJDOJILIPNFQ-HTRCEHHLSA-N 0 0 300.181 2.328 10 30 DEEERN C=CCCn1cc(C(=O)N(C)CCc2ccc(F)cc2)nn1 ZINC000424598919 405127195 /nfs/dbraw/zinc/12/71/95/405127195.db2.gz BDQDNIGWBBFPQV-UHFFFAOYSA-N 0 0 302.353 2.308 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000361509130 405108261 /nfs/dbraw/zinc/10/82/61/405108261.db2.gz AFGPBFSCMYMEKF-QAPCUYQASA-N 0 0 324.465 2.069 10 30 DEEERN C=CCC1(C(=O)NCc2cc(C(=O)OC)c(C)o2)CCOCC1 ZINC000424581147 405121985 /nfs/dbraw/zinc/12/19/85/405121985.db2.gz GKFMIECMUMCAGN-UHFFFAOYSA-N 0 0 321.373 2.364 10 30 DEEERN Cc1onc(CC(=O)N2CCO[C@@H](C3CCCCC3)C2)c1C#N ZINC000408208135 405137873 /nfs/dbraw/zinc/13/78/73/405137873.db2.gz VSFJMPXALDWFER-MRXNPFEDSA-N 0 0 317.389 2.205 10 30 DEEERN C=CCC1(C(=O)Nc2ccnc(C(=O)N(C)C)c2)CCOCC1 ZINC000424664797 405143389 /nfs/dbraw/zinc/14/33/89/405143389.db2.gz KSCUHIDXHQHRRC-UHFFFAOYSA-N 0 0 317.389 2.095 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NCCc1cc(C(F)(F)F)ccn1 ZINC000452146176 405196149 /nfs/dbraw/zinc/19/61/49/405196149.db2.gz FPYYIMFMPFYEEX-UHFFFAOYSA-N 0 0 322.290 2.283 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000437470008 405201445 /nfs/dbraw/zinc/20/14/45/405201445.db2.gz FRRVCJLHOSQIAI-KMFMINBZSA-N 0 0 319.401 2.044 10 30 DEEERN Cc1onc(CC(=O)N2CC3(CCCC3)OC(C)(C)C2)c1C#N ZINC000408429316 405205294 /nfs/dbraw/zinc/20/52/94/405205294.db2.gz XTLFDOHGJFBAKG-UHFFFAOYSA-N 0 0 317.389 2.347 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000424930010 405214380 /nfs/dbraw/zinc/21/43/80/405214380.db2.gz CYDMJEVTBDOTGH-JQWIXIFHSA-N 0 0 317.311 2.156 10 30 DEEERN CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCO[C@H]1c1nccn1C ZINC000408473441 405215903 /nfs/dbraw/zinc/21/59/03/405215903.db2.gz GGZQFDHEMNFBOD-HZPDHXFCSA-N 0 0 324.384 2.028 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CC[C@@H](CO)[C@@H]2CC)cc1 ZINC000452951520 405264624 /nfs/dbraw/zinc/26/46/24/405264624.db2.gz YSJRYFFCHCATDL-RDJZCZTQSA-N 0 0 303.402 2.413 10 30 DEEERN C=C(C)CCNC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000452721173 405233570 /nfs/dbraw/zinc/23/35/70/405233570.db2.gz GLGLAUUFMVDRLE-LBPRGKRZSA-N 0 0 308.328 2.400 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(OC)cc1OC ZINC000425425401 405288921 /nfs/dbraw/zinc/28/89/21/405288921.db2.gz YNQTUJXWTHYONZ-ZFWWWQNUSA-N 0 0 320.389 2.094 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000425179275 405254444 /nfs/dbraw/zinc/25/44/44/405254444.db2.gz PGFYPWPNYGMSJZ-ZANVPECISA-N 0 0 319.785 2.349 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(C(C)C)c1 ZINC000425782266 405319709 /nfs/dbraw/zinc/31/97/09/405319709.db2.gz IRAHBEZRSHKUMH-HOCLYGCPSA-N 0 0 316.401 2.456 10 30 DEEERN C=CCN1CC[C@@H](N(C)Cc2ccc(-c3ccccn3)nc2)C1=O ZINC000425442977 405291775 /nfs/dbraw/zinc/29/17/75/405291775.db2.gz KTYDGQAPPOQPMW-GOSISDBHSA-N 0 0 322.412 2.362 10 30 DEEERN C=CCN(Cc1ccc(S(=O)(=O)N(C)C)s1)C1CC1 ZINC000425463322 405294717 /nfs/dbraw/zinc/29/47/17/405294717.db2.gz WAHVHKYIBOOZCD-UHFFFAOYSA-N 0 0 300.449 2.149 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CC)COCC(F)(F)F ZINC000425556299 405302549 /nfs/dbraw/zinc/30/25/49/405302549.db2.gz SMSIEVAXWUNYCN-SRVKXCTJSA-N 0 0 324.343 2.234 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](COC)c1ccc(F)cc1 ZINC000425563559 405303787 /nfs/dbraw/zinc/30/37/87/405303787.db2.gz JHXRAOXTOCBIRY-BPUTZDHNSA-N 0 0 322.380 2.404 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CCOc1ccccc1 ZINC000425567495 405303926 /nfs/dbraw/zinc/30/39/26/405303926.db2.gz CXXTZEOKYJDWAV-HOCLYGCPSA-N 0 0 304.390 2.298 10 30 DEEERN C=CCC1(C(=O)Nc2ccc(C(N)=O)cc2OC)CCOCC1 ZINC000425602016 405306192 /nfs/dbraw/zinc/30/61/92/405306192.db2.gz HHRODCGLXVZWOI-UHFFFAOYSA-N 0 0 318.373 2.106 10 30 DEEERN C=CC(C)(C)CNC(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000455370932 405402509 /nfs/dbraw/zinc/40/25/09/405402509.db2.gz RKJFZYBJIVKXFB-AWEZNQCLSA-N 0 0 301.390 2.303 10 30 DEEERN C=C(CC)CNC(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000455529897 405422402 /nfs/dbraw/zinc/42/24/02/405422402.db2.gz YZKSRVKQYYRCHT-AWEZNQCLSA-N 0 0 306.410 2.086 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000455638576 405438487 /nfs/dbraw/zinc/43/84/87/405438487.db2.gz NCCRMBXNRUICOO-IUCAKERBSA-N 0 0 323.340 2.230 10 30 DEEERN CCC(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(CC#N)c2)C1 ZINC000455910215 405460865 /nfs/dbraw/zinc/46/08/65/405460865.db2.gz CJCYIIVEBONSDW-OAHLLOKOSA-N 0 0 314.389 2.275 10 30 DEEERN C=CCCCNC(=O)c1ccc(I)cn1 ZINC000456030942 405477560 /nfs/dbraw/zinc/47/75/60/405477560.db2.gz RLUIYSZXABFGGZ-UHFFFAOYSA-N 0 0 316.142 2.382 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)C1(N2CCOCC2)CC1 ZINC000633434146 405641734 /nfs/dbraw/zinc/64/17/34/405641734.db2.gz JQMOHUZDGUQPQW-QGZVFWFLSA-N 0 0 314.429 2.155 10 30 DEEERN C=CCCCN(C)C(=O)NCc1c(Br)cnn1C ZINC000633440716 405645937 /nfs/dbraw/zinc/64/59/37/405645937.db2.gz CPZXZDJXBPKCQX-UHFFFAOYSA-N 0 0 315.215 2.290 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1CCC ZINC000580641619 405658301 /nfs/dbraw/zinc/65/83/01/405658301.db2.gz CWABAQILAJGFFA-QXSJWSMHSA-N 0 0 322.449 2.169 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000559011396 405715954 /nfs/dbraw/zinc/71/59/54/405715954.db2.gz SVGYMWCUERAPSN-WMLDXEAASA-N 0 0 320.437 2.191 10 30 DEEERN CC#CC[C@H](CO)NC(=O)c1scc(Br)c1C ZINC000633583625 405727933 /nfs/dbraw/zinc/72/79/33/405727933.db2.gz DNZBWOSCBUBBIT-SECBINFHSA-N 0 0 316.220 2.323 10 30 DEEERN C=C(CC)CNC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000459082868 405735608 /nfs/dbraw/zinc/73/56/08/405735608.db2.gz SKUUBIPUBZSGRB-OAHLLOKOSA-N 0 0 301.390 2.225 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)c1cccc(NCc2ccccn2)c1 ZINC000636112265 405749154 /nfs/dbraw/zinc/74/91/54/405749154.db2.gz QBAAZQAXOJECBM-SFHVURJKSA-N 0 0 323.396 2.198 10 30 DEEERN Cc1cc(C#N)nc(N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000583616377 405774733 /nfs/dbraw/zinc/77/47/33/405774733.db2.gz LVFSAQFLEKMKTR-DOMZBBRYSA-N 0 0 316.311 2.247 10 30 DEEERN C=C(C)[C@H](CC(=O)NCc1cc(=O)[nH]c(C2CCC2)n1)OCC ZINC000636320786 405889120 /nfs/dbraw/zinc/88/91/20/405889120.db2.gz TXDDWIQJPVSLPA-AWEZNQCLSA-N 0 0 319.405 2.437 10 30 DEEERN CSC1(CNC(=O)Cc2cccc(C#N)c2)CCOCC1 ZINC000530674966 405843487 /nfs/dbraw/zinc/84/34/87/405843487.db2.gz GERQVDDXBRKRIC-UHFFFAOYSA-N 0 0 304.415 2.129 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N[C@H]1Cc2ccccc2N(C)C1 ZINC000636263664 405847775 /nfs/dbraw/zinc/84/77/75/405847775.db2.gz GQWUDYORWNHYLW-YJBOKZPZSA-N 0 0 302.418 2.393 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2CCOC3(CCSCC3)C2)C1=O ZINC000630979091 405950167 /nfs/dbraw/zinc/95/01/67/405950167.db2.gz PGLMZPXGKMZSOW-STQMWFEESA-N 0 0 324.446 2.318 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)NCC[C@H](O)C(F)F ZINC000634002941 405953948 /nfs/dbraw/zinc/95/39/48/405953948.db2.gz QRXXTPKRKTVVSL-LBPRGKRZSA-N 0 0 315.316 2.006 10 30 DEEERN COC(=O)[C@@H](CNC(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000531153025 405915998 /nfs/dbraw/zinc/91/59/98/405915998.db2.gz WGMYABWGCJESHZ-KRWDZBQOSA-N 0 0 322.364 2.174 10 30 DEEERN C=CC[C@H]1CCCN(Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000639310149 406037416 /nfs/dbraw/zinc/03/74/16/406037416.db2.gz ONEQVXLKSISAPC-NSHDSACASA-N 0 0 300.449 2.184 10 30 DEEERN C=C1CC(C)(C(=O)N(CCO)Cc2ccc(OC)cc2OC)C1 ZINC000632144542 406021324 /nfs/dbraw/zinc/02/13/24/406021324.db2.gz GGPYVQNTOSWNLC-UHFFFAOYSA-N 0 0 319.401 2.381 10 30 DEEERN COC(=O)c1cccc(CNC(=O)Cc2cccc(C#N)c2)c1 ZINC000531812267 406009017 /nfs/dbraw/zinc/00/90/17/406009017.db2.gz XWOWZOVZPZXAOQ-UHFFFAOYSA-N 0 0 308.337 2.204 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)C1 ZINC000636784962 406081183 /nfs/dbraw/zinc/08/11/83/406081183.db2.gz BNCKLZUXJGGSNP-QLFBSQMISA-N 0 0 307.438 2.241 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)C1 ZINC000636784961 406081771 /nfs/dbraw/zinc/08/17/71/406081771.db2.gz BNCKLZUXJGGSNP-KFWWJZLASA-N 0 0 307.438 2.241 10 30 DEEERN C=CCN(CCc1ccccc1)S(=O)(=O)C[C@@H](OC)C1CC1 ZINC000566160641 406086582 /nfs/dbraw/zinc/08/65/82/406086582.db2.gz AXQHFUHKJTUDHB-QGZVFWFLSA-N 0 0 323.458 2.472 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@@](C)(CO)Cc1ccc(F)cc1 ZINC000634294115 406086726 /nfs/dbraw/zinc/08/67/26/406086726.db2.gz TWUCQESHABKHAW-SUMWQHHRSA-N 0 0 309.381 2.217 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCC[C@@H]1CCO[C@@H](C)C1 ZINC000636811339 406088596 /nfs/dbraw/zinc/08/85/96/406088596.db2.gz UDPQEGJEYRWDRL-LSDHHAIUSA-N 0 0 324.465 2.416 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@H]1CCC[C@@H]1OC ZINC000636653686 406042825 /nfs/dbraw/zinc/04/28/25/406042825.db2.gz GLTMKKCDMGYNDR-KGLIPLIRSA-N 0 0 310.438 2.026 10 30 DEEERN CC(=O)c1cccc(OCC(=O)N(C)[C@H]2CCC[C@H]2C#N)c1 ZINC000634198975 406051628 /nfs/dbraw/zinc/05/16/28/406051628.db2.gz SUQADMKTQOZOMG-HOCLYGCPSA-N 0 0 300.358 2.419 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](CC)c1ccncc1 ZINC000636695817 406056949 /nfs/dbraw/zinc/05/69/49/406056949.db2.gz XJHSUQZPOURCSO-AWEZNQCLSA-N 0 0 303.406 2.367 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCCc1cccc(C)n1 ZINC000636695697 406057038 /nfs/dbraw/zinc/05/70/38/406057038.db2.gz JPHAGXYMMAAMPC-UHFFFAOYSA-N 0 0 317.433 2.157 10 30 DEEERN C=CCCn1cc(C(=O)NCC2([C@@H]3CCCCO3)CCC2)nn1 ZINC000634332161 406102554 /nfs/dbraw/zinc/10/25/54/406102554.db2.gz KOHZFTUHORBVQU-HNNXBMFYSA-N 0 0 318.421 2.323 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)N[C@H](c2ccc(F)c(C)c2)C1=O ZINC000567688610 406118948 /nfs/dbraw/zinc/11/89/48/406118948.db2.gz UTHBEVKGVFAWOG-AEGPPILISA-N 0 0 318.348 2.318 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](c2cccnc2)C1 ZINC000517930350 406127139 /nfs/dbraw/zinc/12/71/39/406127139.db2.gz SXEKBBUEVLXNAA-XHSDSOJGSA-N 0 0 301.390 2.172 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H]1CCO[C@@H](CC)C1 ZINC000636976614 406139314 /nfs/dbraw/zinc/13/93/14/406139314.db2.gz JIDZCBVBARFOLJ-KBPBESRZSA-N 0 0 310.438 2.169 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCCC1(C)C ZINC000636979881 406139507 /nfs/dbraw/zinc/13/95/07/406139507.db2.gz ILOZQOGBNZWWCR-ZNMIVQPWSA-N 0 0 322.449 2.026 10 30 DEEERN C=CCCOCCNC(=O)N[C@](C)(CO)Cc1ccc(F)cc1 ZINC000636983623 406141104 /nfs/dbraw/zinc/14/11/04/406141104.db2.gz LTCDYJPZYRGHMK-KRWDZBQOSA-N 0 0 324.396 2.011 10 30 DEEERN C=CCOc1ccc(CNC(=O)NCc2cc(OC)no2)cc1 ZINC000637138380 406187429 /nfs/dbraw/zinc/18/74/29/406187429.db2.gz LWQHUGPDSXUYJN-UHFFFAOYSA-N 0 0 317.345 2.247 10 30 DEEERN C=CCn1c(SC[C@@H](O)C[C@@](C)(O)C2CC2)nnc1C1CC1 ZINC000634637753 406201156 /nfs/dbraw/zinc/20/11/56/406201156.db2.gz BCIORFIUDFKRPM-XJKSGUPXSA-N 0 0 323.462 2.346 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)CO ZINC000632662224 406219399 /nfs/dbraw/zinc/21/93/99/406219399.db2.gz VWCCQFQSROCQQF-CABCVRRESA-N 0 0 324.465 2.105 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000569085661 406224542 /nfs/dbraw/zinc/22/45/42/406224542.db2.gz SKKQVDHPANIBJE-CRWXNKLISA-N 0 0 306.410 2.033 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCn2cccc2[C@H]1C ZINC000518999833 406173720 /nfs/dbraw/zinc/17/37/20/406173720.db2.gz LKXXEWYNQGHHJL-CQSZACIVSA-N 0 0 303.406 2.254 10 30 DEEERN CCc1nn(C)c(CC)c1CNC(=O)Cc1cccc(C#N)c1 ZINC000535858555 406244114 /nfs/dbraw/zinc/24/41/14/406244114.db2.gz CSLUHXIUXYYLQJ-UHFFFAOYSA-N 0 0 310.401 2.275 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000637321048 406257589 /nfs/dbraw/zinc/25/75/89/406257589.db2.gz DCJDPYBWFOLVRP-KGLIPLIRSA-N 0 0 307.438 2.289 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCC[C@@H](OCC2CC2)C1 ZINC000519837296 406263137 /nfs/dbraw/zinc/26/31/37/406263137.db2.gz ULTLDCNOGIREQY-MRXNPFEDSA-N 0 0 322.449 2.267 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@H](c1ccccn1)C1CCC1 ZINC000637384273 406289921 /nfs/dbraw/zinc/28/99/21/406289921.db2.gz RCLRNJDURTUJBC-CJNGLKHVSA-N 0 0 303.406 2.407 10 30 DEEERN C=CCCOCC(=O)Nc1nnn(-c2ccc(F)cc2)c1C ZINC000637409021 406297552 /nfs/dbraw/zinc/29/75/52/406297552.db2.gz LTMPZZNGDNXVBH-UHFFFAOYSA-N 0 0 304.325 2.246 10 30 DEEERN C=CCCCS(=O)(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000489702129 406426530 /nfs/dbraw/zinc/42/65/30/406426530.db2.gz WNDHJKNCQVWVHP-CYBMUJFWSA-N 0 0 319.492 2.317 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000637623862 406369811 /nfs/dbraw/zinc/36/98/11/406369811.db2.gz PMEIYDXPOAFIRX-INIZCTEOSA-N 0 0 323.481 2.485 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000571035849 406469110 /nfs/dbraw/zinc/46/91/10/406469110.db2.gz NEWHUKNXKPZZNA-CABCVRRESA-N 0 0 318.348 2.026 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@H](C)c1nc(C)cs1 ZINC000571061533 406474280 /nfs/dbraw/zinc/47/42/80/406474280.db2.gz XNYGXXAFXYBGCT-GFCCVEGCSA-N 0 0 309.435 2.491 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000635275735 406484003 /nfs/dbraw/zinc/48/40/03/406484003.db2.gz LDPNIIZQYUKNLJ-XJKCOSOUSA-N 0 0 316.401 2.426 10 30 DEEERN C=CCCCCCNC(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000571178928 406488523 /nfs/dbraw/zinc/48/85/23/406488523.db2.gz SXRGQSAWFJYCPY-UHFFFAOYSA-N 0 0 301.346 2.438 10 30 DEEERN N#Cc1ccc(C2(C(=O)NCc3cn4c(n3)CCCC4)CC2)cc1 ZINC000547717079 406435670 /nfs/dbraw/zinc/43/56/70/406435670.db2.gz OUONHOLBUIFNFU-UHFFFAOYSA-N 0 0 320.396 2.439 10 30 DEEERN C=C(C)CCNC(=O)C(=O)Nc1cc(F)cc(OC(F)F)c1 ZINC000635180704 406452046 /nfs/dbraw/zinc/45/20/46/406452046.db2.gz RVTUVPYMFGZJSE-UHFFFAOYSA-N 0 0 316.279 2.448 10 30 DEEERN N#Cc1cccc(CC(=O)NCc2ccc3c(c2)OCCO3)c1 ZINC000548715327 406543820 /nfs/dbraw/zinc/54/38/20/406543820.db2.gz GYKVLHMCWMUNAI-UHFFFAOYSA-N 0 0 308.337 2.188 10 30 DEEERN C=CCCCCCNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000574888088 406787771 /nfs/dbraw/zinc/78/77/71/406787771.db2.gz MFMNRMZLHUSKLW-HUUCEWRRSA-N 0 0 320.433 2.414 10 30 DEEERN C=CCn1c(N2CCC[C@H](COC)C2)nnc1[C@@]1(C)CCCO1 ZINC000575089101 406789559 /nfs/dbraw/zinc/78/95/59/406789559.db2.gz JPSVXKHKSOVAEO-WMLDXEAASA-N 0 0 320.437 2.353 10 30 DEEERN COc1ccc([C@@]2(C)N(O)[C@@H](C)C(c3cccs3)=[N+]2[O-])cc1 ZINC000575346903 406806814 /nfs/dbraw/zinc/80/68/14/406806814.db2.gz IRQQBVBWVZGYEK-JOUIHXNISA-N 0 0 319.406 2.319 10 30 DEEERN CCOC(=O)Cc1ccc([N+](=O)[O-])c(C#N)c1OC(F)F ZINC000575388231 406808880 /nfs/dbraw/zinc/80/88/80/406808880.db2.gz PDJJQWZQYHTVRI-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN CCOC(=O)Cc1cc(OC(F)F)cc([N+](=O)[O-])c1C#N ZINC000575388511 406808917 /nfs/dbraw/zinc/80/89/17/406808917.db2.gz WUSYTWPHYUUUCZ-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN CCOC(=O)Cc1ccc([N+](=O)[O-])c(OC(F)(F)F)c1C#N ZINC000575395602 406809214 /nfs/dbraw/zinc/80/92/14/406809214.db2.gz JHCPXYYCXMTXEC-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN COCC[C@@H](C)NC(=O)c1ccc(C#CCCO)c(Cl)c1 ZINC000128936139 196005682 /nfs/dbraw/zinc/00/56/82/196005682.db2.gz ISIHPYSTCRVMBV-GFCCVEGCSA-N 0 0 309.793 2.229 10 30 DEEERN CCc1ccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)cc1CC ZINC000128975535 196008693 /nfs/dbraw/zinc/00/86/93/196008693.db2.gz OVBPZZZBUNVPQN-MRXNPFEDSA-N 0 0 322.430 2.115 10 30 DEEERN C#CC[C@H](CC)NS(=O)(=O)c1cc(N)c(C)cc1Cl ZINC000129183047 196026265 /nfs/dbraw/zinc/02/62/65/196026265.db2.gz MGTOSMXHEFRPFV-JTQLQIEISA-N 0 0 300.811 2.311 10 30 DEEERN C=CCCCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000129254524 196032588 /nfs/dbraw/zinc/03/25/88/196032588.db2.gz WUNDCTJECZYVCN-OAHLLOKOSA-N 0 0 316.401 2.421 10 30 DEEERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C#N)cc1C ZINC000129446678 196049504 /nfs/dbraw/zinc/04/95/04/196049504.db2.gz MOQXAEOXEINCKH-CQSZACIVSA-N 0 0 309.373 2.286 10 30 DEEERN C[C@H](Nc1ccc(Br)cc1C#N)C(=O)NC1CC1 ZINC000132336072 196247580 /nfs/dbraw/zinc/24/75/80/196247580.db2.gz VRXNAXUDFBRXJA-QMMMGPOBSA-N 0 0 308.179 2.400 10 30 DEEERN C=C(C)COCCNC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000132580666 196267275 /nfs/dbraw/zinc/26/72/75/196267275.db2.gz GQUXDNUROLLJFG-UHFFFAOYSA-N 0 0 318.295 2.345 10 30 DEEERN C=CCC(CC=C)C(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000132818045 196286876 /nfs/dbraw/zinc/28/68/76/196286876.db2.gz JDBMJFIFVBXZGZ-INIZCTEOSA-N 0 0 303.406 2.187 10 30 DEEERN Cc1ccc(NC(=O)N2CCC(C#N)CC2)cc1S(C)(=O)=O ZINC000133129705 196314279 /nfs/dbraw/zinc/31/42/79/196314279.db2.gz RFVWPQZWTGYSMD-UHFFFAOYSA-N 0 0 321.402 2.166 10 30 DEEERN Cc1noc([C@H](C)N2CCN(CC#Cc3ccccc3)CC2)n1 ZINC000192003926 225121545 /nfs/dbraw/zinc/12/15/45/225121545.db2.gz JUOALYLYSCZAES-HNNXBMFYSA-N 0 0 310.401 2.108 10 30 DEEERN Cc1ccc(S(=O)(=O)ON(C)C(=O)OC(C)(C)C)cc1 ZINC000238296747 225212912 /nfs/dbraw/zinc/21/29/12/225212912.db2.gz ZQCMKORYYUNZPB-UHFFFAOYSA-N 0 0 301.364 2.482 10 30 DEEERN O=C(NCCC1CCOCC1)N[C@H]1CCC(=O)NC12CCC2 ZINC000328661280 225782356 /nfs/dbraw/zinc/78/23/56/225782356.db2.gz AAQQPGBGOVLXLK-ZDUSSCGKSA-N 0 0 309.410 2.348 10 30 DEEERN C[C@H](C(=O)N[C@H]1CCCN(c2ccnn2C)C1)C1CCOCC1 ZINC000329949835 225949455 /nfs/dbraw/zinc/94/94/55/225949455.db2.gz LQKRVUXPOFZJTA-ZFWWWQNUSA-N 0 0 320.437 2.408 10 30 DEEERN C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(N2CN=NC2=O)c1 ZINC000330135000 225970539 /nfs/dbraw/zinc/97/05/39/225970539.db2.gz SHVQIAHYJATYFV-GXFFZTMASA-N 0 0 302.334 2.376 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000330166707 225974095 /nfs/dbraw/zinc/97/40/95/225974095.db2.gz VIERSSRTDALNMC-LUYZLQTOSA-N 0 0 319.405 2.412 10 30 DEEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)NCC2(CO)CCC2)cn1 ZINC000330319186 225993623 /nfs/dbraw/zinc/99/36/23/225993623.db2.gz CZUAQTQZNPUVLF-UONOGXRCSA-N 0 0 307.394 2.100 10 30 DEEERN Cc1c([C@H]2OCC[C@@H]2NC(=O)N[C@H](C)CC2CC2)cnn1C ZINC000330338822 225996246 /nfs/dbraw/zinc/99/62/46/225996246.db2.gz VWMMFDBGWDQOAB-WKPIXPDZSA-N 0 0 306.410 2.251 10 30 DEEERN CCn1nccc1C1CCN(C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000333200526 226103119 /nfs/dbraw/zinc/10/31/19/226103119.db2.gz YYJBUPGIBGFIKK-HUUCEWRRSA-N 0 0 315.421 2.484 10 30 DEEERN N#C[C@]1(c2nc(CC(=O)NC3CCCC3)no2)CC12CCCC2 ZINC000333845223 226111264 /nfs/dbraw/zinc/11/12/64/226111264.db2.gz ODONRCBVFPAFFB-KRWDZBQOSA-N 0 0 314.389 2.396 10 30 DEEERN N#C[C@H]1CN(Cc2ccc(-n3cccn3)cc2)CCN1C1CC1 ZINC000360093436 226838223 /nfs/dbraw/zinc/83/82/23/226838223.db2.gz RPNXVKYZOPMBON-SFHVURJKSA-N 0 0 307.401 2.044 10 30 DEEERN N#C[C@H]1CN(C(=O)C[C@@H]2CCc3ccccc3C2)CCN1C1CC1 ZINC000363079517 226910643 /nfs/dbraw/zinc/91/06/43/226910643.db2.gz BATHKENEFZGCHI-BEFAXECRSA-N 0 0 323.440 2.380 10 30 DEEERN C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N2CCOC[C@H]2C#N)o1 ZINC000370065644 227042948 /nfs/dbraw/zinc/04/29/48/227042948.db2.gz NYJJGBJQLDNDGG-RKQHYHRCSA-N 0 0 300.358 2.257 10 30 DEEERN N#C[C@H]1CN(C(=O)Cc2ccc(F)cc2Cl)CCN1C1CC1 ZINC000370713825 227057068 /nfs/dbraw/zinc/05/70/68/227057068.db2.gz ALRCDLDVWDKZLA-AWEZNQCLSA-N 0 0 321.783 2.220 10 30 DEEERN N#Cc1cnc(NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000302568487 230301311 /nfs/dbraw/zinc/30/13/11/230301311.db2.gz XTAILICRLIDSLX-BXKDBHETSA-N 0 0 300.284 2.244 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(C3CC3)n(CC)n2)C1 ZINC000627734603 421866290 /nfs/dbraw/zinc/86/62/90/421866290.db2.gz XVHLQTYVLUOJFU-GFCCVEGCSA-N 0 0 316.405 2.144 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1cc(CCC(=O)OCC)nc(C)n1 ZINC000601178789 422420633 /nfs/dbraw/zinc/42/06/33/422420633.db2.gz CNVHPUPYFNHFJB-ZFWWWQNUSA-N 0 0 319.405 2.284 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)Nc1cc(OC)n(C)n1 ZINC000547515698 424867090 /nfs/dbraw/zinc/86/70/90/424867090.db2.gz FJESXZCMZOEKGH-UHFFFAOYSA-N 0 0 306.391 2.710 10 30 DEEERN C=C(C)COc1cccc(NC(=O)Nc2cc(OC)n(C)n2)c1 ZINC000548192857 424870161 /nfs/dbraw/zinc/87/01/61/424870161.db2.gz RKAPILGOWGLLJJ-UHFFFAOYSA-N 0 0 316.361 3.028 10 30 DEEERN C=CCCc1ccccc1NC(=O)Nc1ccn(CCO)n1 ZINC000548882426 424873803 /nfs/dbraw/zinc/87/38/03/424873803.db2.gz DMQOXYKXUQCLGQ-UHFFFAOYSA-N 0 0 300.362 2.638 10 30 DEEERN Cc1cc(C#N)nc(NCCc2ccc(OC(F)F)cc2)n1 ZINC000557478765 424884760 /nfs/dbraw/zinc/88/47/60/424884760.db2.gz PXHVTGBTEJWTPI-UHFFFAOYSA-N 0 0 304.300 2.913 10 30 DEEERN C=CCCCCCNc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000566484909 424910820 /nfs/dbraw/zinc/91/08/20/424910820.db2.gz ZQKRVAJGJUSSCL-UHFFFAOYSA-N 0 0 323.462 3.024 10 30 DEEERN C=CCOCCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000385463527 424911385 /nfs/dbraw/zinc/91/13/85/424911385.db2.gz ZQNUOQFMFGVYGH-UHFFFAOYSA-N 0 0 316.155 2.675 10 30 DEEERN Cc1cc(C#N)nc(NC[C@H](c2ccccc2)C(C)(C)CO)n1 ZINC000561281027 424890720 /nfs/dbraw/zinc/89/07/20/424890720.db2.gz AGHMSPCADUBIJI-MRXNPFEDSA-N 0 0 310.401 2.871 10 30 DEEERN C=CC[C@H](Cc1ccccc1)Nc1ccc(C(=O)NCC)nn1 ZINC000413572990 424946345 /nfs/dbraw/zinc/94/63/45/424946345.db2.gz IYWGTMVRFQLVPW-OAHLLOKOSA-N 0 0 310.401 2.826 10 30 DEEERN COCCOc1cc(NC(=O)Oc2ccccc2)ncc1C#N ZINC000584601190 424991490 /nfs/dbraw/zinc/99/14/90/424991490.db2.gz VGVZVFPBDWQBIJ-UHFFFAOYSA-N 0 0 313.313 2.589 10 30 DEEERN C=CC[C@H](C)NC(=O)Nc1ccn([C@@H](CCC)C(=O)OCC)n1 ZINC000597031719 425030681 /nfs/dbraw/zinc/03/06/81/425030681.db2.gz SUHVHNLFXOPVHC-STQMWFEESA-N 0 0 322.409 2.874 10 30 DEEERN C=CCn1c(Nc2cnn(C)c2)nnc1[C@@H]1Cc2ccccc2O1 ZINC000350730588 425032091 /nfs/dbraw/zinc/03/20/91/425032091.db2.gz USIRWYNIRYCWKY-HNNXBMFYSA-N 0 0 322.372 2.617 10 30 DEEERN Cc1cc(C#N)nc(NCCNc2ncc(Cl)cc2Cl)n1 ZINC000439098204 425036185 /nfs/dbraw/zinc/03/61/85/425036185.db2.gz KFHKSXXHRLTXQP-UHFFFAOYSA-N 0 0 323.187 2.883 10 30 DEEERN C=C(CC)CNC(=O)C(=O)Nc1nn(C2CCCCC2)cc1C ZINC000454020379 425088562 /nfs/dbraw/zinc/08/85/62/425088562.db2.gz CEXSVLQVXQTGKH-UHFFFAOYSA-N 0 0 318.421 2.718 10 30 DEEERN COC(=O)Cc1cccc(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000531674260 267368719 /nfs/dbraw/zinc/36/87/19/267368719.db2.gz DUJHEQOBPVKHDP-UHFFFAOYSA-N 0 0 308.337 2.455 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)N1CCO[C@@H](C2CCC2)C1 ZINC000333413314 268942442 /nfs/dbraw/zinc/94/24/42/268942442.db2.gz RNJALEGEKJSKHV-OAHLLOKOSA-N 0 0 320.414 2.056 10 30 DEEERN N#Cc1ccnc(NC(=O)c2ccc(Br)cn2)c1 ZINC000357422833 269039014 /nfs/dbraw/zinc/03/90/14/269039014.db2.gz DEAOPKVFIUPWAY-UHFFFAOYSA-N 0 0 303.119 2.363 10 30 DEEERN C[C@@H]1CN(C(=O)c2ccc(C#N)o2)CCN1Cc1ccccc1 ZINC000396367148 269102771 /nfs/dbraw/zinc/10/27/71/269102771.db2.gz CLOUWPWZZMLRLB-CQSZACIVSA-N 0 0 309.369 2.498 10 30 DEEERN C=CCC(C)(C)CNC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000458812756 275742172 /nfs/dbraw/zinc/74/21/72/275742172.db2.gz RDUGNPQEJFAKAY-MRXNPFEDSA-N 0 0 323.481 2.485 10 30 DEEERN COC(=O)[C@@]1(C)CCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000301625621 277378317 /nfs/dbraw/zinc/37/83/17/277378317.db2.gz HBPHKHSFVABBSI-ZDUSSCGKSA-N 0 0 313.279 2.361 10 30 DEEERN C#C[C@@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000372578079 277700840 /nfs/dbraw/zinc/70/08/40/277700840.db2.gz QBGBQJOCFVZZLK-MCIONIFRSA-N 0 0 321.421 2.192 10 30 DEEERN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000457828724 277790556 /nfs/dbraw/zinc/79/05/56/277790556.db2.gz JXCKGTVXGBVDNN-ALYAQQCSSA-N 0 0 307.434 2.367 10 30 DEEERN C=C(C)[C@H](CC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC)OCC ZINC000342483768 277798985 /nfs/dbraw/zinc/79/89/85/277798985.db2.gz DFDOGZAGEBYNTF-YXWQFLTLSA-N 0 0 309.406 2.158 10 30 DEEERN Cc1cc(F)cc2c1ncc(C#N)c2N1CC(=O)N(C)[C@H](C)C1 ZINC000283480429 278699420 /nfs/dbraw/zinc/69/94/20/278699420.db2.gz KFPRJWQAGSILOH-LLVKDONJSA-N 0 0 312.348 2.221 10 30 DEEERN C[C@@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)CC(=O)N1C ZINC000283398219 278798446 /nfs/dbraw/zinc/79/84/46/278798446.db2.gz FJFWYAHXPYLRIO-SNVBAGLBSA-N 0 0 314.776 2.427 10 30 DEEERN Cc1cnc(CN2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1 ZINC000328664063 279012898 /nfs/dbraw/zinc/01/28/98/279012898.db2.gz BPFRKTQSDZUGMX-FZKQIMNGSA-N 0 0 319.368 2.280 10 30 DEEERN Cc1nnc(CSc2nc(C)nc(C)c2C#N)n1C1CC1 ZINC000130624153 281944367 /nfs/dbraw/zinc/94/43/67/281944367.db2.gz XBQYLZYXDMLVCX-UHFFFAOYSA-N 0 0 300.391 2.492 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCCO[C@H](C)C1)CCC2 ZINC000328648493 292854198 /nfs/dbraw/zinc/85/41/98/292854198.db2.gz IBUYMELJAUTRTA-KGLIPLIRSA-N 0 0 306.410 2.094 10 30 DEEERN N#CCC[C@H](C#N)CN1CCCN(C(=O)c2cccs2)CC1 ZINC000112368551 294807380 /nfs/dbraw/zinc/80/73/80/294807380.db2.gz UNYHMORBJBDZDA-CQSZACIVSA-N 0 0 316.430 2.340 10 30 DEEERN N#C[C@H]1CN(C(=O)N[C@H]2CC23CCCCC3)CCN1C1CC1 ZINC000361990468 294845645 /nfs/dbraw/zinc/84/56/45/294845645.db2.gz JNTYLYRTGRIWCU-GJZGRUSLSA-N 0 0 302.422 2.091 10 30 DEEERN O=C(N[C@@H]1CCCC12CCOCC2)N1CCc2cncnc2C1 ZINC000328842280 295379810 /nfs/dbraw/zinc/37/98/10/295379810.db2.gz URKKPRRUEXIDII-OAHLLOKOSA-N 0 0 316.405 2.098 10 30 DEEERN O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)N1CCn2ccnc2C1 ZINC000330016800 295382063 /nfs/dbraw/zinc/38/20/63/295382063.db2.gz QDAORBNNJXIWPD-GDBMZVCRSA-N 0 0 312.373 2.143 10 30 DEEERN C[C@H](CC(=O)N(C1CC1)C1(C#N)CCC1)N1CCCCC1=O ZINC000328894175 298285126 /nfs/dbraw/zinc/28/51/26/298285126.db2.gz UTLSBQJIXNODOZ-CYBMUJFWSA-N 0 0 303.406 2.215 10 30 DEEERN C=CCn1c(N2CCC[C@](C)(OC)C2)nnc1[C@]1(C)CCCO1 ZINC000556444527 331704969 /nfs/dbraw/zinc/70/49/69/331704969.db2.gz FJQOZGQAUHSAFS-IRXDYDNUSA-N 0 0 320.437 2.495 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000186650176 332940782 /nfs/dbraw/zinc/94/07/82/332940782.db2.gz ILWHLDNDXUOZRL-SECBINFHSA-N 0 0 307.774 2.003 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000186667563 332941958 /nfs/dbraw/zinc/94/19/58/332941958.db2.gz CZFYFKXOYVTAJN-GFCCVEGCSA-N 0 0 324.229 2.350 10 30 DEEERN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C(C)(C)C ZINC000187568607 332976150 /nfs/dbraw/zinc/97/61/50/332976150.db2.gz YCLUDQCIQXXAAJ-LLVKDONJSA-N 0 0 317.389 2.446 10 30 DEEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000362343350 333051241 /nfs/dbraw/zinc/05/12/41/333051241.db2.gz RGNVVQCKYGAOGB-MEDUHNTESA-N 0 0 307.394 2.303 10 30 DEEERN CCCNc1ccc(C#N)cc1NC(=O)CCCCC(N)=O ZINC000188886552 333057681 /nfs/dbraw/zinc/05/76/81/333057681.db2.gz RABMKNLFCMJXHO-UHFFFAOYSA-N 0 0 302.378 2.364 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc2nc[nH]c2cc1F ZINC000563018148 333059037 /nfs/dbraw/zinc/05/90/37/333059037.db2.gz DHNHXIPBUOLZIY-MEBBXXQBSA-N 0 0 303.337 2.413 10 30 DEEERN C=CCOC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C1CC1)C(=O)OC ZINC000583567133 335736464 /nfs/dbraw/zinc/73/64/64/335736464.db2.gz IROCTWWEXLMWSD-KFWWJZLASA-N 0 0 309.406 2.063 10 30 DEEERN C=C(C)[C@@H](CC(=O)NC(C)(C)c1cc(C(=O)OC)on1)OCC ZINC000362318077 336792113 /nfs/dbraw/zinc/79/21/13/336792113.db2.gz VEVARPZUXLDSGR-LLVKDONJSA-N 0 0 324.377 2.184 10 30 DEEERN N#CCCN(CCC#N)S(=O)(=O)c1cccc2ncccc21 ZINC000173160209 337133448 /nfs/dbraw/zinc/13/34/48/337133448.db2.gz PXFVVUYNEFTNET-UHFFFAOYSA-N 0 0 314.370 2.053 10 30 DEEERN C=CCn1c(N2CCC(COC)CC2)nnc1[C@@]1(C)CCCO1 ZINC000583006672 337228242 /nfs/dbraw/zinc/22/82/42/337228242.db2.gz FCUPZOLXVFOVSG-QGZVFWFLSA-N 0 0 320.437 2.353 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000584450867 337341212 /nfs/dbraw/zinc/34/12/12/337341212.db2.gz PGLTYOIHLYUWSJ-HIFRSBDPSA-N 0 0 302.330 2.071 10 30 DEEERN CC#CCCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583845683 337342984 /nfs/dbraw/zinc/34/29/84/337342984.db2.gz FAKTXCKPROVWOH-UHFFFAOYSA-N 0 0 314.345 2.331 10 30 DEEERN C=C1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccccc2)CC1 ZINC000264490355 337632543 /nfs/dbraw/zinc/63/25/43/337632543.db2.gz NUVJMWAULXZVIM-HNNXBMFYSA-N 0 0 316.426 2.380 10 30 DEEERN C=CCC(CC=C)C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000126332368 340826308 /nfs/dbraw/zinc/82/63/08/340826308.db2.gz KYMKJWGHOKYTJX-OAHLLOKOSA-N 0 0 318.392 2.354 10 30 DEEERN CCn1nc(C)c(CNC(=O)N2CCC(C)(C#N)CC2)c1C ZINC000543729039 341055512 /nfs/dbraw/zinc/05/55/12/341055512.db2.gz IDHDWYXQDQKVIH-UHFFFAOYSA-N 0 0 303.410 2.355 10 30 DEEERN C=C[C@@](C)(CC)C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000134978750 341227697 /nfs/dbraw/zinc/22/76/97/341227697.db2.gz LSTPEIBSLXXLDI-GUYCJALGSA-N 0 0 306.381 2.188 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@H]2CCCCC[C@H]2C(N)=O)cc1 ZINC000137654721 341277696 /nfs/dbraw/zinc/27/76/96/341277696.db2.gz TTXWMBPJLDNNQL-CVEARBPZSA-N 0 0 316.401 2.415 10 30 DEEERN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N1CCO[C@@H](C#N)C1 ZINC000246595165 341354179 /nfs/dbraw/zinc/35/41/79/341354179.db2.gz VJKSOBCIZKDJKO-WQGACYEGSA-N 0 0 317.364 2.383 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)c1ncc(C)s1 ZINC000564882957 341512268 /nfs/dbraw/zinc/51/22/68/341512268.db2.gz SVBVXIGNCOAWPP-WXHSDQCUSA-N 0 0 309.435 2.445 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000564885658 341512387 /nfs/dbraw/zinc/51/23/87/341512387.db2.gz VJWQLXHDRLBJSE-MELADBBJSA-N 0 0 322.430 2.422 10 30 DEEERN C=CCn1c(N2CCO[C@H](C3CC3)C2)nnc1[C@@]1(C)CCCO1 ZINC000568190380 341657548 /nfs/dbraw/zinc/65/75/48/341657548.db2.gz FSQDJRQZWDSMGA-WMLDXEAASA-N 0 0 318.421 2.105 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@H]1c1noc(C)n1 ZINC000573059463 341715425 /nfs/dbraw/zinc/71/54/25/341715425.db2.gz POCUWXUWKQLFAD-RDBSUJKOSA-N 0 0 305.378 2.413 10 30 DEEERN CC(=O)N(C[C@@H]1CCCN1C(=O)Nc1cc(C)ccn1)C1CC1 ZINC000328638151 341735274 /nfs/dbraw/zinc/73/52/74/341735274.db2.gz OYUBEGPIWLARIN-HNNXBMFYSA-N 0 0 316.405 2.411 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000574606683 341763653 /nfs/dbraw/zinc/76/36/53/341763653.db2.gz VBZQGMROTVCCMA-TUVASFSCSA-N 0 0 315.369 2.021 10 30 DEEERN C=CCCCCCNC(=O)N(C)Cc1ncnn1CC(F)F ZINC000577961580 341959250 /nfs/dbraw/zinc/95/92/50/341959250.db2.gz XCHCSWSVPGVCKB-UHFFFAOYSA-N 0 0 315.368 2.431 10 30 DEEERN CS[C@@H](CO)[C@@H](C)Nc1ncc(Br)cc1C#N ZINC000297280846 533934360 /nfs/dbraw/zinc/93/43/60/533934360.db2.gz XJBYOQRHNHGTBW-XCBNKYQSSA-N 0 0 316.224 2.240 10 30 DEEERN Cc1c(S(=O)(=O)N[C@@H]2CCC[C@@H]2C#N)c2ccccc2n1C ZINC000408016584 533934412 /nfs/dbraw/zinc/93/44/12/533934412.db2.gz INPNRJFKRXRRQB-TZMCWYRMSA-N 0 0 317.414 2.457 10 30 DEEERN Cc1ccc(-c2cc(C(=O)N3CCOC[C@H]3C#N)[nH]n2)c(C)c1 ZINC000189894012 534172009 /nfs/dbraw/zinc/17/20/09/534172009.db2.gz AUFRQIGCXWLMCR-CYBMUJFWSA-N 0 0 310.357 2.058 10 30 DEEERN C=CCn1c(C)nnc1N1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000453445722 534436736 /nfs/dbraw/zinc/43/67/36/534436736.db2.gz OENSBIIAJCTFPX-LLVKDONJSA-N 0 0 317.359 2.093 10 30 DEEERN C=CC(C)(C)CNC(=O)N[C@@H](CC(=O)NC)c1ccccc1 ZINC000458737980 534513278 /nfs/dbraw/zinc/51/32/78/534513278.db2.gz LMMWAZUCOUSERL-AWEZNQCLSA-N 0 0 303.406 2.375 10 30 DEEERN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000374788560 534679638 /nfs/dbraw/zinc/67/96/38/534679638.db2.gz PMICDPPCFYTCEJ-LBPRGKRZSA-N 0 0 313.361 2.212 10 30 DEEERN N#Cc1cccc(OCCCCC(=O)NCC2(CCO)CC2)c1 ZINC000188014105 534812231 /nfs/dbraw/zinc/81/22/31/534812231.db2.gz GALSUCURENXKTJ-UHFFFAOYSA-N 0 0 316.401 2.386 10 30 DEEERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1cc(C#N)ccn1)CC2 ZINC000355308369 534881519 /nfs/dbraw/zinc/88/15/19/534881519.db2.gz BAYXMLDZFULWGQ-UHFFFAOYSA-N 0 0 319.364 2.397 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000190504576 526290394 /nfs/dbraw/zinc/29/03/94/526290394.db2.gz BFGSOZPUXOQONP-ZDUSSCGKSA-N 0 0 320.389 2.363 10 30 DEEERN CC#CCCCC(=O)NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000373368707 526299259 /nfs/dbraw/zinc/29/92/59/526299259.db2.gz GWVMEMNQVOETOF-UHFFFAOYSA-N 0 0 312.373 2.086 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1nncn1C ZINC000411197686 526350196 /nfs/dbraw/zinc/35/01/96/526350196.db2.gz WEQPDEUZRVRHCN-GFCCVEGCSA-N 0 0 301.350 2.473 10 30 DEEERN CC#CCNC(=O)Nc1nc(-c2cccc(OC)c2)ns1 ZINC000190229398 526379626 /nfs/dbraw/zinc/37/96/26/526379626.db2.gz ZLYHLHHSAXIJFP-UHFFFAOYSA-N 0 0 302.359 2.359 10 30 DEEERN C=C(Br)CN1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190764691 526427515 /nfs/dbraw/zinc/42/75/15/526427515.db2.gz XQJCSURGBWMEGU-GFCCVEGCSA-N 0 0 300.200 2.185 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000180668730 526482374 /nfs/dbraw/zinc/48/23/74/526482374.db2.gz MFAHCTPIGCTTKU-UHFFFAOYSA-N 0 0 312.373 2.154 10 30 DEEERN C=CCNC(=O)[C@@H](C)N1CC2(CCOCC2)c2ccccc21 ZINC000192284116 526620797 /nfs/dbraw/zinc/62/07/97/526620797.db2.gz QFLZKBIDMUQLOO-CQSZACIVSA-N 0 0 300.402 2.246 10 30 DEEERN C=C(C)COc1cc(CN2CCCN(C)C(=O)C2)ccc1OC ZINC000191662624 526660090 /nfs/dbraw/zinc/66/00/90/526660090.db2.gz QOPXEJKTTIZFSV-UHFFFAOYSA-N 0 0 318.417 2.314 10 30 DEEERN CC(=O)N1CCc2cc(NC(=O)NCC[C@H](O)C(C)C)ccc21 ZINC000331230194 526671110 /nfs/dbraw/zinc/67/11/10/526671110.db2.gz HONBACZIFBULPF-INIZCTEOSA-N 0 0 319.405 2.329 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccccc1-c1cnn(C)c1 ZINC000370693133 526673854 /nfs/dbraw/zinc/67/38/54/526673854.db2.gz YDSYIEHEKGPJCR-UHFFFAOYSA-N 0 0 305.381 2.366 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](Cc1ccccn1)C(=O)OCC ZINC000346950417 526701029 /nfs/dbraw/zinc/70/10/29/526701029.db2.gz GTXLIAVOEDCAIP-HIFRSBDPSA-N 0 0 304.390 2.274 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000248640052 526704529 /nfs/dbraw/zinc/70/45/29/526704529.db2.gz WZVJNHIPSQYYHX-MELADBBJSA-N 0 0 301.452 2.403 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCCCN1C(=O)c2ccccc2C1=O ZINC000286142108 526711156 /nfs/dbraw/zinc/71/11/56/526711156.db2.gz HTKRRAJAXDPEEA-ZDUSSCGKSA-N 0 0 314.385 2.391 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H](CO)c1nc(-c2ccccc2)no1 ZINC000375990460 526712720 /nfs/dbraw/zinc/71/27/20/526712720.db2.gz BSZJYIQZCWNAAU-JSGCOSHPSA-N 0 0 315.373 2.489 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@@H](C(=O)NC)C1 ZINC000421316838 526728052 /nfs/dbraw/zinc/72/80/52/526728052.db2.gz ZUJZPUAYPWKBOC-CQSZACIVSA-N 0 0 319.453 2.015 10 30 DEEERN C=C(C)[C@@H](CC(=O)N[C@H](c1nc[nH]n1)c1ccccc1)OCC ZINC000368813900 526750626 /nfs/dbraw/zinc/75/06/26/526750626.db2.gz MFBYUTAXSSLUIT-ZBFHGGJFSA-N 0 0 314.389 2.382 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370984264 526766894 /nfs/dbraw/zinc/76/68/94/526766894.db2.gz GDCXSYJJEBRCOQ-CYBMUJFWSA-N 0 0 317.414 2.237 10 30 DEEERN C=CCOCCNC(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000371638100 526777161 /nfs/dbraw/zinc/77/71/61/526777161.db2.gz ONSXSQYYIVJBQM-INIZCTEOSA-N 0 0 322.380 2.420 10 30 DEEERN C=CCOCCNC(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000371652997 526777252 /nfs/dbraw/zinc/77/72/52/526777252.db2.gz ZYGIRHXADLPNJV-OAHLLOKOSA-N 0 0 304.390 2.397 10 30 DEEERN C=CCOCCNC(=O)c1ccc(N2CCCCCC2)nc1 ZINC000374816058 526782753 /nfs/dbraw/zinc/78/27/53/526782753.db2.gz FEGYEIZVTATCNT-UHFFFAOYSA-N 0 0 303.406 2.394 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCC[C@H]1C(=O)N(CC)CC)OCC ZINC000339364521 526808614 /nfs/dbraw/zinc/80/86/14/526808614.db2.gz VHHSSKZIRLBNON-GJZGRUSLSA-N 0 0 310.438 2.217 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C)cc1OC ZINC000432459906 526850958 /nfs/dbraw/zinc/85/09/58/526850958.db2.gz AZFSDRIFCZJVPP-GXTWGEPZSA-N 0 0 305.374 2.415 10 30 DEEERN C=C(CNC(=O)N1CCO[C@]2(CCCOC2)C1)c1ccccc1 ZINC000287788051 526867963 /nfs/dbraw/zinc/86/79/63/526867963.db2.gz BDGLXKGKPBBAAN-GOSISDBHSA-N 0 0 316.401 2.291 10 30 DEEERN C=C(Cl)CNC(=O)[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000371016843 526890864 /nfs/dbraw/zinc/89/08/64/526890864.db2.gz GJRASBOPXWPOHI-AWEZNQCLSA-N 0 0 316.792 2.467 10 30 DEEERN C=CCC(C)(C)C(=O)N1CCC(COC)(C(=O)OCC)CC1 ZINC000352513318 526986129 /nfs/dbraw/zinc/98/61/29/526986129.db2.gz XFGKCZNRQPCQJM-UHFFFAOYSA-N 0 0 311.422 2.407 10 30 DEEERN C#CCNC(=O)[C@@H](C)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000249148533 527017195 /nfs/dbraw/zinc/01/71/95/527017195.db2.gz XGJLHZZBUUXYKZ-CHWSQXEVSA-N 0 0 306.356 2.282 10 30 DEEERN C=CCCC(=O)N1CCC(NC(=O)c2cccc(OC)c2)CC1 ZINC000371524970 527067759 /nfs/dbraw/zinc/06/77/59/527067759.db2.gz VXSLPAGZTDPICB-UHFFFAOYSA-N 0 0 316.401 2.382 10 30 DEEERN C=CCCC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000338665623 527071260 /nfs/dbraw/zinc/07/12/60/527071260.db2.gz TVTKHPQVDDPPKF-UHFFFAOYSA-N 0 0 324.222 2.459 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)C[C@@H]1CCOC[C@@H]1OC ZINC000295123623 527089946 /nfs/dbraw/zinc/08/99/46/527089946.db2.gz ZTELJCXJLHUHKF-LRDDRELGSA-N 0 0 321.348 2.218 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)C[C@H]1CCOC[C@@H]1OC ZINC000295123626 527090261 /nfs/dbraw/zinc/09/02/61/527090261.db2.gz ZTELJCXJLHUHKF-WBMJQRKESA-N 0 0 321.348 2.218 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(Br)c(F)cc1F ZINC000192210068 527098713 /nfs/dbraw/zinc/09/87/13/527098713.db2.gz MQXFXORVSMRMHZ-ZETCQYMHSA-N 0 0 320.133 2.394 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(OC)cc1OCC1CC1 ZINC000187885161 527099097 /nfs/dbraw/zinc/09/90/97/527099097.db2.gz VWUVBQZABWKXSY-ZDUSSCGKSA-N 0 0 305.374 2.151 10 30 DEEERN C#CCOc1ccc(CNC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000296247496 527102283 /nfs/dbraw/zinc/10/22/83/527102283.db2.gz HCZHCUZADMPILM-ZIAGYGMSSA-N 0 0 302.374 2.017 10 30 DEEERN C#CCSCCNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000182816872 527135152 /nfs/dbraw/zinc/13/51/52/527135152.db2.gz YQFKHNMOIVPAND-QXMHVHEDSA-N 0 0 304.371 2.481 10 30 DEEERN C=CC[C@H](CC)NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000366979698 527144858 /nfs/dbraw/zinc/14/48/58/527144858.db2.gz GQNKRRFYNJVEOS-ZDUSSCGKSA-N 0 0 321.421 2.054 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)[C@H]1C[C@H](OCC)C1(C)C ZINC000410724475 527172229 /nfs/dbraw/zinc/17/22/29/527172229.db2.gz KSKSAMWMBSRYIX-KBPBESRZSA-N 0 0 310.438 2.073 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)CC(C)(C)O ZINC000298123021 527173838 /nfs/dbraw/zinc/17/38/38/527173838.db2.gz YEZZANHLWFWNII-GDBMZVCRSA-N 0 0 302.418 2.470 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000410760103 527173927 /nfs/dbraw/zinc/17/39/27/527173927.db2.gz IQJHMPMVTQAIEB-INIZCTEOSA-N 0 0 322.449 2.361 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCc1ccc(Cl)cc1 ZINC000339463555 527177047 /nfs/dbraw/zinc/17/70/47/527177047.db2.gz QANNNEXBXJJMHI-UHFFFAOYSA-N 0 0 308.809 2.423 10 30 DEEERN C=CCCCN(C)c1ccc(C(=O)CC)cc1S(N)(=O)=O ZINC000287299647 527194098 /nfs/dbraw/zinc/19/40/98/527194098.db2.gz MQSQEFOTOKJHDM-UHFFFAOYSA-N 0 0 310.419 2.329 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000248596664 527196056 /nfs/dbraw/zinc/19/60/56/527196056.db2.gz SZWKMMAHCYNNNP-ZACQAIPSSA-N 0 0 318.417 2.391 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCSCc1ccccc1C#N ZINC000182892718 527196482 /nfs/dbraw/zinc/19/64/82/527196482.db2.gz IOWBSNYQBWPHST-OAHLLOKOSA-N 0 0 319.430 2.028 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(OC)cc1OCC(C)C ZINC000191023898 527207678 /nfs/dbraw/zinc/20/76/78/527207678.db2.gz DQEXXIUILUUETG-CYBMUJFWSA-N 0 0 307.390 2.397 10 30 DEEERN C=CCCCNC(=O)NCc1nnc(-c2ccc(OC)cc2)[nH]1 ZINC000448136957 527221364 /nfs/dbraw/zinc/22/13/64/527221364.db2.gz BHFCGZHPKUPHGI-UHFFFAOYSA-N 0 0 315.377 2.246 10 30 DEEERN C=CCCCNC(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000448031625 527221566 /nfs/dbraw/zinc/22/15/66/527221566.db2.gz REBBQDNZJPBSLV-CQSZACIVSA-N 0 0 301.390 2.337 10 30 DEEERN CC(=O)c1ccc(C#N)c(N2CCN(C(=O)c3ccoc3)CC2)c1 ZINC000302018883 527223153 /nfs/dbraw/zinc/22/31/53/527223153.db2.gz GUZSTNSTKXOISL-UHFFFAOYSA-N 0 0 323.352 2.316 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@H]1CC12CCSCC2 ZINC000422321798 527280875 /nfs/dbraw/zinc/28/08/75/527280875.db2.gz PDZXBJIRARPSCM-KBPBESRZSA-N 0 0 324.490 2.497 10 30 DEEERN CC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)cc1Cl ZINC000437416316 527290384 /nfs/dbraw/zinc/29/03/84/527290384.db2.gz WMIYWXRCHHXKJY-VIFPVBQESA-N 0 0 321.764 2.099 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN2CCn3cc(C)nc3C2)c1C ZINC000374641763 527295341 /nfs/dbraw/zinc/29/53/41/527295341.db2.gz AKZLTMDTZOBXRU-UHFFFAOYSA-N 0 0 312.417 2.494 10 30 DEEERN C=CCCN(C)C(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000342004954 527308336 /nfs/dbraw/zinc/30/83/36/527308336.db2.gz AEJLKKMPQPFBIK-INIZCTEOSA-N 0 0 304.390 2.297 10 30 DEEERN C#C[C@H](C)NC(=O)[C@]1(CC=C)CCCN1C(=O)OC(C)(C)C ZINC000190383373 527342743 /nfs/dbraw/zinc/34/27/43/527342743.db2.gz DGUBHWRZEBBZOV-GUYCJALGSA-N 0 0 306.406 2.470 10 30 DEEERN C=CCCOCCNC(=O)N1CC(OC)(c2ccccc2)C1 ZINC000376975840 527347765 /nfs/dbraw/zinc/34/77/65/527347765.db2.gz CQPCTOZXZKIVDX-UHFFFAOYSA-N 0 0 304.390 2.146 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@H](C)[C@H]1CC ZINC000289519631 527353094 /nfs/dbraw/zinc/35/30/94/527353094.db2.gz CESSUGVMEMGJAA-MJBXVCDLSA-N 0 0 306.410 2.177 10 30 DEEERN C=CCCOCCNC(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000413403311 527356908 /nfs/dbraw/zinc/35/69/08/527356908.db2.gz NRBITYJZFOXSKI-OAHLLOKOSA-N 0 0 321.396 2.296 10 30 DEEERN C#Cc1ccc(CNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000296496249 527436740 /nfs/dbraw/zinc/43/67/40/527436740.db2.gz NIKUIEWNDKZGQL-ZACQAIPSSA-N 0 0 310.397 2.425 10 30 DEEERN C=CCC[C@H](C(=O)N1CC(=O)N(C)[C@@H](C)C1)c1ccccc1 ZINC000337687268 527461878 /nfs/dbraw/zinc/46/18/78/527461878.db2.gz JQNLTIYDWNQHPC-HOCLYGCPSA-N 0 0 300.402 2.426 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CC1(CC(=O)OC)CCCC1 ZINC000424925286 527493224 /nfs/dbraw/zinc/49/32/24/527493224.db2.gz OGGHMZLBOZUSOI-KBPBESRZSA-N 0 0 309.406 2.207 10 30 DEEERN C=C[C@H](CC(=O)NC[C@]1(CCO)CCOC1)c1ccccc1 ZINC000305664028 527577129 /nfs/dbraw/zinc/57/71/29/527577129.db2.gz GUKXPUKERAVZMM-QAPCUYQASA-N 0 0 303.402 2.252 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H](O)Cc1cccc(OC)c1 ZINC000442652681 527586469 /nfs/dbraw/zinc/58/64/69/527586469.db2.gz OFDHHFUBOXIFMS-CYBMUJFWSA-N 0 0 317.307 2.176 10 30 DEEERN CCCCNC(=O)c1c(NC(=O)[C@@H]2CCCCO2)nc(C)n1C ZINC000330856266 528020849 /nfs/dbraw/zinc/02/08/49/528020849.db2.gz TWQFLNMLDIGBGO-LBPRGKRZSA-N 0 0 322.409 2.341 10 30 DEEERN CC(C)c1nnc2n1CCN(C(=O)NCC1(CC#N)CC1)[C@@H]2C ZINC000374020655 528472230 /nfs/dbraw/zinc/47/22/30/528472230.db2.gz ZJXSCCFKKDGYMX-GFCCVEGCSA-N 0 0 316.409 2.182 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000189123638 528687113 /nfs/dbraw/zinc/68/71/13/528687113.db2.gz AYUGEPBVTXYKIP-SNVBAGLBSA-N 0 0 314.345 2.083 10 30 DEEERN CC(C)COc1ccccc1NC(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000356995412 535244506 /nfs/dbraw/zinc/24/45/06/535244506.db2.gz PPPRQFRWLWBLJW-GFCCVEGCSA-N 0 0 313.361 2.384 10 30 DEEERN CCc1noc(C)c1CNC(=O)NCCc1cccc(C#N)c1 ZINC000454931730 535881469 /nfs/dbraw/zinc/88/14/69/535881469.db2.gz JQHRWIQVZGNVCU-UHFFFAOYSA-N 0 0 312.373 2.459 10 30 DEEERN C#CCCS(=O)(=O)N1CCC(Cc2ccccc2OC)CC1 ZINC000288442773 625490156 /nfs/dbraw/zinc/49/01/56/625490156.db2.gz UQYGIYOMQUMZPK-UHFFFAOYSA-N 0 0 321.442 2.303 10 30 DEEERN N#Cc1ccccc1/C=C\C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000255090946 623437103 /nfs/dbraw/zinc/43/71/03/623437103.db2.gz OOGWDCVCSNPUBT-LENZSSGSSA-N 0 0 306.365 2.291 10 30 DEEERN CN(C)c1nc(CON=C2CCOc3ccccc32)ns1 ZINC000255289318 624109467 /nfs/dbraw/zinc/10/94/67/624109467.db2.gz IFCQGJKDOJCYEB-UHFFFAOYSA-N 0 0 304.375 2.308 10 30 DEEERN COc1ccc(CSCC(=O)N2CCO[C@@H](C)C2)cc1C#N ZINC000179515134 625789273 /nfs/dbraw/zinc/78/92/73/625789273.db2.gz DQZYHMCBTVSYJW-LBPRGKRZSA-N 0 0 320.414 2.047 10 30 DEEERN C#C[C@H](OC(=O)[C@@H]1CSCN1C(=O)/C(C)=C/CC)C1CC1 ZINC000179539945 625795519 /nfs/dbraw/zinc/79/55/19/625795519.db2.gz CHCFSCSWZDNVOY-IOMPXFEGSA-N 0 0 307.415 2.199 10 30 DEEERN Cc1nn(CCC#N)c(C)c1CCC(=O)OC[C@@]1(C)CCCO1 ZINC000177245852 625891997 /nfs/dbraw/zinc/89/19/97/625891997.db2.gz BXRDXUHXAXAPHL-QGZVFWFLSA-N 0 0 319.405 2.459 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000425523416 635925804 /nfs/dbraw/zinc/92/58/04/635925804.db2.gz ANTHVEDFRRODMR-XHSDSOJGSA-N 0 0 316.401 2.271 10 30 DEEERN C=C(COC(=O)c1ccn(-c2cccc(F)c2)n1)C(=O)OCC ZINC000734029187 633313170 /nfs/dbraw/zinc/31/31/70/633313170.db2.gz QTRRHFZFMSDDTP-UHFFFAOYSA-N 0 0 318.304 2.288 10 30 DEEERN C=CC[C@@H](NC(=O)CNC(=O)c1ccsc1)c1ccncc1 ZINC000734360487 633366163 /nfs/dbraw/zinc/36/61/63/633366163.db2.gz KFHKWWMYIVSUFT-CQSZACIVSA-N 0 0 315.398 2.307 10 30 DEEERN CN(CC(=O)N1CCCC1)Cc1cc(Cl)ccc1OCC#N ZINC000735306642 633500671 /nfs/dbraw/zinc/50/06/71/633500671.db2.gz QIQNKXFDOQLCGA-UHFFFAOYSA-N 0 0 321.808 2.297 10 30 DEEERN C=CCOCC(=O)O[C@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000735350299 633504160 /nfs/dbraw/zinc/50/41/60/633504160.db2.gz PKHJOQWAZJFYDS-HNNXBMFYSA-N 0 0 321.348 2.375 10 30 DEEERN C#CCOc1ccccc1CNC(=O)c1nc(C)ncc1Cl ZINC000741931152 633894983 /nfs/dbraw/zinc/89/49/83/633894983.db2.gz HZSKFDNRVWWVCZ-UHFFFAOYSA-N 0 0 315.760 2.380 10 30 DEEERN CC#CCCCC(=O)OCCCc1nc2nc(C)cc(C)n2n1 ZINC000186217342 633990743 /nfs/dbraw/zinc/99/07/43/633990743.db2.gz HQUWNRCXJUESTF-UHFFFAOYSA-N 0 0 314.389 2.411 10 30 DEEERN C=CCN(CC=C)C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000725989143 634831369 /nfs/dbraw/zinc/83/13/69/634831369.db2.gz YHCCQYWGPSHPRV-UHFFFAOYSA-N 0 0 318.329 2.261 10 30 DEEERN C=CCC[C@@H](OC(=O)CC1(CS(C)(=O)=O)CC1)C1CC1 ZINC000159517623 636133561 /nfs/dbraw/zinc/13/35/61/636133561.db2.gz TYOUDBXWZJVLNY-CYBMUJFWSA-N 0 0 300.420 2.489 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cccnc1 ZINC000120695877 636913563 /nfs/dbraw/zinc/91/35/63/636913563.db2.gz DJBMTRUIXAORJZ-UHFFFAOYSA-N 0 0 320.326 2.486 10 30 DEEERN CC#CCCCCOC(=O)/C=C/c1cncc(C(=O)NC)c1 ZINC000183926007 637555262 /nfs/dbraw/zinc/55/52/62/637555262.db2.gz QEUXQPXFCIPNOJ-CMDGGOBGSA-N 0 0 300.358 2.191 10 30 DEEERN C#CCCCCCOC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000185330078 637599979 /nfs/dbraw/zinc/59/99/79/637599979.db2.gz DWVMCLGNQJUUPT-UHFFFAOYSA-N 0 0 303.358 2.162 10 30 DEEERN Cc1nonc1COC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000741441056 637982244 /nfs/dbraw/zinc/98/22/44/637982244.db2.gz RYOSQCJUUNLQKI-HNNXBMFYSA-N 0 0 315.329 2.397 10 30 DEEERN CC(=NNc1ccc(Cl)nc1)c1ccc(S(N)(=O)=O)cc1 ZINC000743450502 638147278 /nfs/dbraw/zinc/14/72/78/638147278.db2.gz SNHDKGSBPMYSEQ-UHFFFAOYSA-N 0 0 324.793 2.219 10 30 DEEERN C[C@]1(c2ccccc2)C[C@H]1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000743642658 638164332 /nfs/dbraw/zinc/16/43/32/638164332.db2.gz UPIBTYGIOBQRBW-YQVWRLOYSA-N 0 0 324.428 2.098 10 30 DEEERN C#CCN(CC#CC)C[C@@H](O)c1ccc(Br)cc1 ZINC000743855113 638179999 /nfs/dbraw/zinc/17/99/99/638179999.db2.gz YWLDDLJKFHWUSF-OAHLLOKOSA-N 0 0 306.203 2.441 10 30 DEEERN C#Cc1cccc(NC(=O)CCC(=O)Nc2nnc(C3CC3)o2)c1 ZINC000727753491 638309842 /nfs/dbraw/zinc/30/98/42/638309842.db2.gz IMQZKVDVNLPKEB-UHFFFAOYSA-N 0 0 324.340 2.286 10 30 DEEERN COc1ccc(CNc2nccc(C#N)c2[N+](=O)[O-])cc1C#N ZINC000746704901 638371588 /nfs/dbraw/zinc/37/15/88/638371588.db2.gz JRJDEAATTMNGMM-UHFFFAOYSA-N 0 0 309.285 2.354 10 30 DEEERN COc1ccc(CNC(=O)CCc2nccs2)cc1C#N ZINC000746876189 638383523 /nfs/dbraw/zinc/38/35/23/638383523.db2.gz CFESPKUKCJOWOS-UHFFFAOYSA-N 0 0 301.371 2.272 10 30 DEEERN CC[C@H](C)[C@](C)(O)CNC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747430858 638436605 /nfs/dbraw/zinc/43/66/05/638436605.db2.gz FXSHABMBPIUCEE-YVEFUNNKSA-N 0 0 319.405 2.163 10 30 DEEERN C=C(COC(=O)c1ccc(N2CC=CC2)cc1)C(=O)OCC ZINC000747705518 638467654 /nfs/dbraw/zinc/46/76/54/638467654.db2.gz MRMXWIMIDNNAHY-UHFFFAOYSA-N 0 0 301.342 2.339 10 30 DEEERN C=C(COC(=O)c1cccc(N2CC=CC2)c1)C(=O)OCC ZINC000747713918 638468329 /nfs/dbraw/zinc/46/83/29/638468329.db2.gz VUMJCYFHQIAFKD-UHFFFAOYSA-N 0 0 301.342 2.339 10 30 DEEERN COC(=O)/C(C)=C/COC(=O)CSCc1ccc(C#N)cc1 ZINC000748179529 638523261 /nfs/dbraw/zinc/52/32/61/638523261.db2.gz PUKVPEIYVZNXCZ-KPKJPENVSA-N 0 0 319.382 2.454 10 30 DEEERN Cc1c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cnc2ccccc12 ZINC000748710266 638584995 /nfs/dbraw/zinc/58/49/95/638584995.db2.gz ASSTUKOJGQDAGY-OAHLLOKOSA-N 0 0 320.396 2.356 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccn(Cc3ccccn3)n2)c1 ZINC000749362145 638638528 /nfs/dbraw/zinc/63/85/28/638638528.db2.gz JAGAJGHHVBHNMI-UHFFFAOYSA-N 0 0 317.352 2.379 10 30 DEEERN COc1ccc(CNC(=O)[C@@H]2OCCc3ccccc32)cc1C#N ZINC000749861458 638688363 /nfs/dbraw/zinc/68/83/63/638688363.db2.gz CSRGSTZRNHUUQR-GOSISDBHSA-N 0 0 322.364 2.497 10 30 DEEERN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)Cc1cccc(C#N)c1 ZINC000750429801 638743808 /nfs/dbraw/zinc/74/38/08/638743808.db2.gz GFHISZYDQHZYOM-OKILXGFUSA-N 0 0 314.385 2.433 10 30 DEEERN C=C(COC(=O)c1c(C)noc1C(F)(F)F)C(=O)OCC ZINC000750491005 638752979 /nfs/dbraw/zinc/75/29/79/638752979.db2.gz NFKNKIOHSAHTOP-UHFFFAOYSA-N 0 0 307.224 2.278 10 30 DEEERN C#CCN(CC#C)C(=O)c1ccc2nc(CC)c(CC)nc2c1 ZINC000752151800 639159200 /nfs/dbraw/zinc/15/92/00/639159200.db2.gz NILLWYMSVMVZJD-UHFFFAOYSA-N 0 0 305.381 2.463 10 30 DEEERN COc1ccc(CNC(=O)N(C)CC2(O)CCCC2)cc1C#N ZINC000752685027 639208295 /nfs/dbraw/zinc/20/82/95/639208295.db2.gz RPUNRIYHPOVHMY-UHFFFAOYSA-N 0 0 317.389 2.013 10 30 DEEERN C=C[C@](C)(CCOC)COC(=O)c1cnn2ccc(C)nc12 ZINC000191164973 640073037 /nfs/dbraw/zinc/07/30/37/640073037.db2.gz ZOQMMKODQOVRTA-MRXNPFEDSA-N 0 0 303.362 2.423 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)[C@@H](C)Oc1ccc(OC)cc1 ZINC000322050003 640703900 /nfs/dbraw/zinc/70/39/00/640703900.db2.gz KLQIBGNNVHAPDU-CYBMUJFWSA-N 0 0 321.373 2.040 10 30 DEEERN C=C(C)CNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805309267 640804177 /nfs/dbraw/zinc/80/41/77/640804177.db2.gz DJQIZXFIRCSYDI-DCAQKATOSA-N 0 0 321.343 2.050 10 30 DEEERN C=CCNc1nc(C(=O)O[C@H](C(=O)N(C)C)C(C)C)cs1 ZINC000729701503 640830606 /nfs/dbraw/zinc/83/06/06/640830606.db2.gz UDOMDHFURDZCHD-NSHDSACASA-N 0 0 311.407 2.011 10 30 DEEERN C=CCOCC(=O)Oc1ccccc1C(=O)N1CCCCC1 ZINC000729890140 640850905 /nfs/dbraw/zinc/85/09/05/640850905.db2.gz UYEHULCAMAVSPG-UHFFFAOYSA-N 0 0 303.358 2.421 10 30 DEEERN N#CCc1ccc(C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)cc1 ZINC000899084416 641920733 /nfs/dbraw/zinc/92/07/33/641920733.db2.gz ZGFGMSHWKWMYEK-INIZCTEOSA-N 0 0 321.384 2.309 10 30 DEEERN C#C[C@@H](NC(=O)N[C@H](CO)CC=C)c1ccc(Cl)cc1F ZINC000805777556 643233590 /nfs/dbraw/zinc/23/35/90/643233590.db2.gz HZVHVDFMARJSPB-SMDDNHRTSA-N 0 0 310.756 2.390 10 30 DEEERN C=CCC[C@@H](O)C[N@H+]1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805787887 643284105 /nfs/dbraw/zinc/28/41/05/643284105.db2.gz AUZUNWCIWSXVOV-RVMXOQNASA-N 0 0 322.371 2.091 10 30 DEEERN C=CCCCCCCNC(=O)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000805790949 643299315 /nfs/dbraw/zinc/29/93/15/643299315.db2.gz GRTLPUYZMBWMRX-CYBMUJFWSA-N 0 0 316.467 2.388 10 30 DEEERN C#CC[C@@H](OC(=O)CO[C@H](C)c1nccn1C)c1ccccn1 ZINC000805874997 643645228 /nfs/dbraw/zinc/64/52/28/643645228.db2.gz QNHZORTWUXUVJD-UKRRQHHQSA-N 0 0 313.357 2.201 10 30 DEEERN C=CCn1c([C@@H](C)CC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC000800780947 645303487 /nfs/dbraw/zinc/30/34/87/645303487.db2.gz OTMFODLQPCZNNI-DZGCQCFKSA-N 0 0 314.437 2.154 10 30 DEEERN C=CCc1cc(OCC)cc(CN2C[C@@H]3COC[C@H](C2)O3)c1O ZINC000800863118 645314103 /nfs/dbraw/zinc/31/41/03/645314103.db2.gz IKLBNPBGFDBJSS-CALCHBBNSA-N 0 0 319.401 2.119 10 30 DEEERN C/C(=C\C(=O)OCCO[C@@H](C)C#N)c1ccc([N+](=O)[O-])cc1 ZINC000801855635 645451310 /nfs/dbraw/zinc/45/13/10/645451310.db2.gz NHRCKELAVFKENI-ZKQHCESOSA-N 0 0 304.302 2.470 10 30 DEEERN C=CCN(C)c1nnc(Cc2ccccc2C)n1CCOC ZINC000802468961 645528285 /nfs/dbraw/zinc/52/82/85/645528285.db2.gz CQXDTBOMJHJSKT-UHFFFAOYSA-N 0 0 300.406 2.446 10 30 DEEERN C#Cc1ccc(C(=O)N2CC(O)(c3ccc(Cl)cc3)C2)cn1 ZINC000802666062 645541907 /nfs/dbraw/zinc/54/19/07/645541907.db2.gz HPFIBPCAXOBZFW-UHFFFAOYSA-N 0 0 312.756 2.060 10 30 DEEERN CC(=NN[C@@H](C)CCc1ccc2c(c1)OCO2)c1cn[nH]c1 ZINC000802714532 645546597 /nfs/dbraw/zinc/54/65/97/645546597.db2.gz PZFSCKDOUWRACG-NSHDSACASA-N 0 0 300.362 2.473 10 30 DEEERN C#C[C@H](C)Oc1ccc(COC(=O)C[C@H]2COC(=O)C2)cc1 ZINC000802808640 645561789 /nfs/dbraw/zinc/56/17/89/645561789.db2.gz OKABOVWYFUODKY-GXTWGEPZSA-N 0 0 302.326 2.084 10 30 DEEERN C#C[C@H](C)Oc1ccc(COC(=O)C2(OC)CCOCC2)cc1 ZINC000802808898 645562077 /nfs/dbraw/zinc/56/20/77/645562077.db2.gz VPCPHEATWMXXBR-AWEZNQCLSA-N 0 0 318.369 2.326 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000803697746 645680871 /nfs/dbraw/zinc/68/08/71/645680871.db2.gz QEMLWPHOUQAOCL-IIAWOOMASA-N 0 0 303.402 2.133 10 30 DEEERN C=CCOCCCOC(=O)c1ccnc(NC(=O)C2CC2)c1 ZINC000803905538 645715688 /nfs/dbraw/zinc/71/56/88/645715688.db2.gz DPRFEAFXBKFUEP-UHFFFAOYSA-N 0 0 304.346 2.180 10 30 DEEERN N#Cc1ccc(CNC(=O)C(=O)N2CCCCCCC2)c(F)c1 ZINC000804156914 645733192 /nfs/dbraw/zinc/73/31/92/645733192.db2.gz WSTJZUUWQLEPHQ-UHFFFAOYSA-N 0 0 317.364 2.106 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000804454612 645773924 /nfs/dbraw/zinc/77/39/24/645773924.db2.gz ROMWKDHLZFBWKE-IXDOHACOSA-N 0 0 312.413 2.029 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)N1CCSCC1 ZINC000804457310 645774131 /nfs/dbraw/zinc/77/41/31/645774131.db2.gz SIEPVXGCUPWFMU-WBVHZDCISA-N 0 0 316.470 2.175 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)Cc1ccn(-c2ccccc2)n1 ZINC000806531637 645842527 /nfs/dbraw/zinc/84/25/27/645842527.db2.gz QUYIZYUMKXGNRP-UHFFFAOYSA-N 0 0 305.381 2.494 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](Cc1nccn1C)c1ccccc1 ZINC000806958121 645894995 /nfs/dbraw/zinc/89/49/95/645894995.db2.gz DREAVLMIFDOQDR-SFHVURJKSA-N 0 0 319.408 2.483 10 30 DEEERN CC#CCCNC(=O)N1CCCC[C@@H]1COC(=O)N(CC)CC ZINC000807137756 645914509 /nfs/dbraw/zinc/91/45/09/645914509.db2.gz YYQMUFWRYWPQGP-OAHLLOKOSA-N 0 0 323.437 2.442 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000807253338 645930219 /nfs/dbraw/zinc/93/02/19/645930219.db2.gz RUKMSNJZOSTYBL-UHFFFAOYSA-N 0 0 317.352 2.049 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@](C)(O)C(C)C ZINC000807466958 645954582 /nfs/dbraw/zinc/95/45/82/645954582.db2.gz HVQBZOPPXJIIIF-SJLPKXTDSA-N 0 0 302.418 2.327 10 30 DEEERN C#C[C@@H](NC(=O)C(=O)Nc1ccnn1C1CCCC1)C(C)(C)C ZINC000807536894 645960952 /nfs/dbraw/zinc/96/09/52/645960952.db2.gz TYTKTFSXSAVVLN-CYBMUJFWSA-N 0 0 316.405 2.101 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CCCc2nc(C)sc21 ZINC000807643477 645974309 /nfs/dbraw/zinc/97/43/09/645974309.db2.gz AHCMFRIAHHNCOI-ZDUSSCGKSA-N 0 0 321.446 2.370 10 30 DEEERN C[C@H](C(=O)[C@H](C#N)C(=O)NC1CCCCC1)C1CCOCC1 ZINC000165487355 646500250 /nfs/dbraw/zinc/50/02/50/646500250.db2.gz GRBHFFKPGGCDGD-WFASDCNBSA-N 0 0 306.406 2.207 10 30 DEEERN CC(C)(C)c1cc(C(=O)N2CCO[C@H](C#N)C2)cc(Cl)n1 ZINC000228130290 646616377 /nfs/dbraw/zinc/61/63/77/646616377.db2.gz SARYBDJSKRIXBU-LLVKDONJSA-N 0 0 307.781 2.397 10 30 DEEERN C#CCOc1ccc(C(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000173879663 646782288 /nfs/dbraw/zinc/78/22/88/646782288.db2.gz BDSGBMIORGZDLR-UHFFFAOYSA-N 0 0 320.348 2.379 10 30 DEEERN CCOCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000173934329 646783677 /nfs/dbraw/zinc/78/36/77/646783677.db2.gz NQDMIMBDZAYNFW-BZUAXINKSA-N 0 0 320.433 2.454 10 30 DEEERN C#CCCCNC(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000174086167 646790555 /nfs/dbraw/zinc/79/05/55/646790555.db2.gz OSNSNVJNWZFLLV-UHFFFAOYSA-N 0 0 323.396 2.109 10 30 DEEERN C[C@H](OC(=O)Cc1ccc(OCC#N)cc1)C1CCOCC1 ZINC000151660995 646993851 /nfs/dbraw/zinc/99/38/51/646993851.db2.gz QXYQAPUDKODFFS-ZDUSSCGKSA-N 0 0 303.358 2.490 10 30 DEEERN C=CCC[C@H](C)OC(=O)[C@H]1CCCN1S(=O)(=O)CCC ZINC000089320355 647268547 /nfs/dbraw/zinc/26/85/47/647268547.db2.gz DWKLDPUQWVLONB-QWHCGFSZSA-N 0 0 303.424 2.089 10 30 DEEERN C#CCN(C1CCCC1)S(=O)(=O)c1cccc2c1OCCO2 ZINC000153113101 647356487 /nfs/dbraw/zinc/35/64/87/647356487.db2.gz NMDZXCWRZPAAOY-UHFFFAOYSA-N 0 0 321.398 2.024 10 30 DEEERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000153163373 647364323 /nfs/dbraw/zinc/36/43/23/647364323.db2.gz CLYHOGYXUQKSHX-HUUCEWRRSA-N 0 0 317.414 2.069 10 30 DEEERN C#CCOc1cccc(OC(=O)[C@@H](C)NC(=O)c2ccccc2)c1 ZINC000730696217 647381364 /nfs/dbraw/zinc/38/13/64/647381364.db2.gz CPEABTZZVJASOX-CQSZACIVSA-N 0 0 323.348 2.423 10 30 DEEERN C#Cc1cccc(NC(=O)c2cnc3c(cnn3C)c2OC)c1 ZINC000181762679 648747252 /nfs/dbraw/zinc/74/72/52/648747252.db2.gz UIRHQRGSPFLVDE-UHFFFAOYSA-N 0 0 306.325 2.211 10 30 DEEERN C#CC[C@H](OC(=O)CNC(=O)c1ccc(OC)cc1)C(C)C ZINC000183312562 649058380 /nfs/dbraw/zinc/05/83/80/649058380.db2.gz UNVPACGPARPGMC-HNNXBMFYSA-N 0 0 303.358 2.016 10 30 DEEERN N#CC1(COC(=O)CCOCc2ccccc2)CCOCC1 ZINC000183942208 649204378 /nfs/dbraw/zinc/20/43/78/649204378.db2.gz ZGQQZZLGIPXGPA-UHFFFAOYSA-N 0 0 303.358 2.457 10 30 DEEERN CC(C)Oc1cncc(C(=O)OCC2(C#N)CCOCC2)c1 ZINC000183987186 649218084 /nfs/dbraw/zinc/21/80/84/649218084.db2.gz HXVXVYNBWCAVND-UHFFFAOYSA-N 0 0 304.346 2.346 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)/C=C/c1ncccc1C ZINC000184076461 649233019 /nfs/dbraw/zinc/23/30/19/649233019.db2.gz OOIDZPNYIRDVRH-ZHACJKMWSA-N 0 0 319.364 2.405 10 30 DEEERN C#CCCNC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000733246434 649463358 /nfs/dbraw/zinc/46/33/58/649463358.db2.gz GKWPMCRXUZEKIL-UHFFFAOYSA-N 0 0 308.263 2.039 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)OCc1ccccc1C(N)=O ZINC000105560631 651148435 /nfs/dbraw/zinc/14/84/35/651148435.db2.gz FPOBRAAWPZSMKQ-LBPRGKRZSA-N 0 0 324.336 2.168 10 30 DEEERN CC[C@H](C#N)Oc1cc(CNC(=O)[C@H](C)COC)ccc1OC ZINC000113111339 651643161 /nfs/dbraw/zinc/64/31/61/651643161.db2.gz AQTJOLAHSNBLTR-TZMCWYRMSA-N 0 0 320.389 2.275 10 30 DEEERN C=C(C)[C@@H]1CC=C(COC(=O)CCCN2C(=O)CNC2=O)CC1 ZINC000080404978 683982606 /nfs/dbraw/zinc/98/26/06/683982606.db2.gz ODUGIELVGUFYPI-CQSZACIVSA-N 0 0 320.389 2.164 10 30 DEEERN C[C@@H]1CN(c2ccc(NC(=O)c3cc(C#N)cn3C)cc2)CCO1 ZINC000081547430 683991569 /nfs/dbraw/zinc/99/15/69/683991569.db2.gz XCOPECMSOGRRQY-CYBMUJFWSA-N 0 0 324.384 2.374 10 30 DEEERN C=CCC[C@@H](C)OC(=O)CCn1nnc2ccccc2c1=O ZINC000089319149 684021899 /nfs/dbraw/zinc/02/18/99/684021899.db2.gz KTQHLGQTVOGLBM-GFCCVEGCSA-N 0 0 301.346 2.080 10 30 DEEERN CCc1nc(CNC(=O)Cc2cccc(OCC#N)c2)cs1 ZINC000089821808 684026921 /nfs/dbraw/zinc/02/69/21/684026921.db2.gz YPQDOLQSTHXABK-UHFFFAOYSA-N 0 0 315.398 2.467 10 30 DEEERN C#Cc1cccc(NC(=O)N2CCN(CCOCC)[C@@H](C)C2)c1 ZINC000117440120 684069088 /nfs/dbraw/zinc/06/90/88/684069088.db2.gz GHRPVDUGOVSIMQ-HNNXBMFYSA-N 0 0 315.417 2.242 10 30 DEEERN C=CCCCN(C)Cn1nc(N2CCOCC2)sc1=S ZINC000119730557 684086652 /nfs/dbraw/zinc/08/66/52/684086652.db2.gz DMPHZQIGJPRQSR-UHFFFAOYSA-N 0 0 314.480 2.366 10 30 DEEERN CC(C)CC[C@](C)(O)CNC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000121781881 684109756 /nfs/dbraw/zinc/10/97/56/684109756.db2.gz FTUYMDUNCPXJMP-SFHVURJKSA-N 0 0 317.385 2.070 10 30 DEEERN C=CCn1nnn(CN2CCO[C@@H](c3ccsc3)C2)c1=S ZINC000122192005 684113382 /nfs/dbraw/zinc/11/33/82/684113382.db2.gz AIQYKTKQWNHORV-GFCCVEGCSA-N 0 0 323.447 2.088 10 30 DEEERN COc1cccc(NC(=O)[C@H](C#N)C(=O)CCCSC)c1 ZINC000130988995 684195256 /nfs/dbraw/zinc/19/52/56/684195256.db2.gz PUVXRAGVKLEVML-CYBMUJFWSA-N 0 0 306.387 2.486 10 30 DEEERN C#CCCCCNC(=O)NC1CCN(C(=O)OC(C)C)CC1 ZINC000131028202 684195711 /nfs/dbraw/zinc/19/57/11/684195711.db2.gz VHRNIANYXVAIIH-UHFFFAOYSA-N 0 0 309.410 2.099 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CN1C[C@@H](C)OC[C@@H]1C ZINC000131043164 684196057 /nfs/dbraw/zinc/19/60/57/684196057.db2.gz JCJUANRKHXAECU-QWHCGFSZSA-N 0 0 311.389 2.192 10 30 DEEERN CCCC[C@@H](NC(=O)NCC)C(=O)OCc1ccc(C#N)cc1 ZINC000157302300 684294092 /nfs/dbraw/zinc/29/40/92/684294092.db2.gz DLWAKIYLBOGVPD-OAHLLOKOSA-N 0 0 317.389 2.479 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NC[C@H](O)c1ccccc1OC ZINC000188435527 684355612 /nfs/dbraw/zinc/35/56/12/684355612.db2.gz ANYBWHYYINCOMR-WMLDXEAASA-N 0 0 307.390 2.074 10 30 DEEERN N#CC1(COC(=O)c2n[nH]c3c2CCCCC3)CCOCC1 ZINC000191267065 684423864 /nfs/dbraw/zinc/42/38/64/684423864.db2.gz GLTPLLCGNDQWBH-UHFFFAOYSA-N 0 0 303.362 2.156 10 30 DEEERN C#CCCCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000192073150 684440859 /nfs/dbraw/zinc/44/08/59/684440859.db2.gz LHMFZKHZKDLDAT-GJZGRUSLSA-N 0 0 315.417 2.115 10 30 DEEERN CC(=O)N1C[C@@H](Nc2ccc(C#N)nc2)CC[C@@H]1C(F)(F)F ZINC000886065994 691996049 /nfs/dbraw/zinc/99/60/49/691996049.db2.gz DRKRJRXSQUVMAY-QWHCGFSZSA-N 0 0 312.295 2.307 10 30 DEEERN CC(=O)N1C[C@H](Nc2ccc(C#N)nc2)CC[C@@H]1C(F)(F)F ZINC000886065992 691996066 /nfs/dbraw/zinc/99/60/66/691996066.db2.gz DRKRJRXSQUVMAY-CHWSQXEVSA-N 0 0 312.295 2.307 10 30 DEEERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNc1ccc(C#N)nc1 ZINC000886080331 691998854 /nfs/dbraw/zinc/99/88/54/691998854.db2.gz XDCOJUJPTNKLSV-DYVFJYSZSA-N 0 0 311.389 2.493 10 30 DEEERN COc1cccc(C#CCOC(=O)[C@@H](C)OC[C@H]2CCCO2)c1 ZINC000176596654 782726383 /nfs/dbraw/zinc/72/63/83/782726383.db2.gz CCBZACMZPCGSPW-RHSMWYFYSA-N 0 0 318.369 2.174 10 30 DEEERN Cc1cccnc1/C=C\C(=O)OCCNc1ncccc1C#N ZINC000588456283 777218486 /nfs/dbraw/zinc/21/84/86/777218486.db2.gz DNWRDEICOGYPJZ-SREVYHEPSA-N 0 0 308.341 2.325 10 30 DEEERN N#CC1(C(=O)NCc2ncc(Br)s2)CCC1 ZINC000714618047 792320738 /nfs/dbraw/zinc/32/07/38/792320738.db2.gz JHPKWEWSUKQWAE-UHFFFAOYSA-N 0 0 300.181 2.216 10 30 DEEERN C#CC[C@@H](COC)NC(=O)c1cscc1Br ZINC000716799147 793007557 /nfs/dbraw/zinc/00/75/57/793007557.db2.gz KYZKBADZNHEEPK-QMMMGPOBSA-N 0 0 302.193 2.279 10 30 DEEERN N#Cc1ccccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)S2 ZINC000403496353 801942461 /nfs/dbraw/zinc/94/24/61/801942461.db2.gz DPQOORWOTMBORI-YHWZYXNKSA-N 0 0 308.428 2.263 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000403508557 801944976 /nfs/dbraw/zinc/94/49/76/801944976.db2.gz LAUMWCBKROIOGU-YHWZYXNKSA-N 0 0 308.428 2.263 10 30 DEEERN C#CC1(O)CCN(C(=O)c2cc(Cl)c(Cl)nc2C)CC1 ZINC000708122409 1086677099 /nfs/dbraw/zinc/67/70/99/1086677099.db2.gz RIYMTSDYDFCKKS-UHFFFAOYSA-N 0 0 313.184 2.297 10 30 DEEERN C#C[C@@H](CO)NC(=O)CSc1cc(Cl)ccc1Cl ZINC000718166441 1088395365 /nfs/dbraw/zinc/39/53/65/1088395365.db2.gz ZANLULQWMCLOFV-VIFPVBQESA-N 0 0 304.198 2.196 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)N[C@H]2CCCC2(F)F)c1 ZINC000720034304 1089425631 /nfs/dbraw/zinc/42/56/31/1089425631.db2.gz YXXZZLBGEABNMP-NSHDSACASA-N 0 0 304.293 2.163 10 30 DEEERN C=CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](CCF)C1 ZINC000624812458 365557610 /nfs/dbraw/zinc/55/76/10/365557610.db2.gz PWYMVQXERCZKOF-ZDUSSCGKSA-N 0 0 317.368 2.091 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CCO[C@@](C)(COC)C1 ZINC000624822534 365560750 /nfs/dbraw/zinc/56/07/50/365560750.db2.gz POFLGVDIGFOOEK-QGZVFWFLSA-N 0 0 322.453 2.294 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2ccc3oc(=O)n(C)c3c2)C1 ZINC000624843334 365568546 /nfs/dbraw/zinc/56/85/46/365568546.db2.gz NDNFBFBQZBKVOA-LBPRGKRZSA-N 0 0 315.373 2.239 10 30 DEEERN COc1csc(C(=O)NCc2sccc2C#CCO)c1 ZINC000162168091 197549655 /nfs/dbraw/zinc/54/96/55/197549655.db2.gz MEDNRWDYFJWFRD-UHFFFAOYSA-N 0 0 307.396 2.092 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](c1cccnc1)C(C)C ZINC000612067997 361737771 /nfs/dbraw/zinc/73/77/71/361737771.db2.gz KOIMCUAFMXMZNO-IAGOWNOFSA-N 0 0 317.433 2.408 10 30 DEEERN C[C@@H](CS(C)(=O)=O)Nc1ccc(C#N)cc1Br ZINC000081899998 192335024 /nfs/dbraw/zinc/33/50/24/192335024.db2.gz PRAZPNHOXLYVOT-QMMMGPOBSA-N 0 0 317.208 2.166 10 30 DEEERN COCCC1(CNC(=O)NCCOc2ccc(C#N)cc2)CC1 ZINC000151134224 282111703 /nfs/dbraw/zinc/11/17/03/282111703.db2.gz KYGIFXFXDJMWRH-UHFFFAOYSA-N 0 0 317.389 2.053 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000624980572 365606228 /nfs/dbraw/zinc/60/62/28/365606228.db2.gz JUDZUQNMIMWXGI-UHFFFAOYSA-N 0 0 311.329 2.026 10 30 DEEERN C=CCOCCCNC(=O)C(=O)NC[C@@H](C)C1CCCCC1 ZINC000612412938 361820089 /nfs/dbraw/zinc/82/00/89/361820089.db2.gz MJBHNYKABZKESS-CQSZACIVSA-N 0 0 310.438 2.028 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000278583685 214255685 /nfs/dbraw/zinc/25/56/85/214255685.db2.gz SKMHBYGJECLGDF-HZPDHXFCSA-N 0 0 314.385 2.499 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000278241190 214043251 /nfs/dbraw/zinc/04/32/51/214043251.db2.gz KYRQJGBNCUGJIL-HZPDHXFCSA-N 0 0 312.373 2.246 10 30 DEEERN O=C(Nc1ccc(Cl)cc1C#CCO)c1cncc(F)c1 ZINC000165313686 197674462 /nfs/dbraw/zinc/67/44/62/197674462.db2.gz AXJARBANCQBBBD-UHFFFAOYSA-N 0 0 304.708 2.470 10 30 DEEERN COc1ccc(C#CCCO)c(Cn2c(C)csc2=O)c1 ZINC000087787584 185231630 /nfs/dbraw/zinc/23/16/30/185231630.db2.gz UONUUAUCKRVNJP-UHFFFAOYSA-N 0 0 303.383 2.009 10 30 DEEERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(C#N)cc1 ZINC000088333680 185246279 /nfs/dbraw/zinc/24/62/79/185246279.db2.gz OMPJVIGBNPKFLF-CYBMUJFWSA-N 0 0 310.361 2.369 10 30 DEEERN CC[C@H](C#N)NC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C ZINC000245632568 529585751 /nfs/dbraw/zinc/58/57/51/529585751.db2.gz IJZJYGOZNAWBJD-YUSALJHKSA-N 0 0 303.337 2.452 10 30 DEEERN C=C(C)CN(CC)S(=O)(=O)c1cc(CO)n(C(C)C)c1 ZINC000088877320 185268158 /nfs/dbraw/zinc/26/81/58/185268158.db2.gz XIEVTIAAVGBKBL-UHFFFAOYSA-N 0 0 300.424 2.148 10 30 DEEERN C[C@@H](C#N)CNC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000090043396 185279421 /nfs/dbraw/zinc/27/94/21/185279421.db2.gz QIKNGOYCYZKYME-NSHDSACASA-N 0 0 308.328 2.289 10 30 DEEERN COc1cccc2c1N(S(=O)(=O)CC1(C#N)CC1)CCC2 ZINC000613261899 362061301 /nfs/dbraw/zinc/06/13/01/362061301.db2.gz ZSYPDJWALOXMDB-UHFFFAOYSA-N 0 0 306.387 2.081 10 30 DEEERN Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(C#CCO)s1 ZINC000092341612 185313214 /nfs/dbraw/zinc/31/32/14/185313214.db2.gz VORCRIUIPYUNMH-VIFPVBQESA-N 0 0 304.371 2.188 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)CCOc1ccccc1 ZINC000625360694 365746704 /nfs/dbraw/zinc/74/67/04/365746704.db2.gz GONXKYUOXBWSOZ-UHFFFAOYSA-N 0 0 318.417 2.242 10 30 DEEERN CC[C@H](CC#N)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1 ZINC000168422347 197723239 /nfs/dbraw/zinc/72/32/39/197723239.db2.gz PFAWJMQECFEFRX-ZCFIWIBFSA-N 0 0 323.783 2.280 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC(OCC(C)C)CC1 ZINC000625428700 365779064 /nfs/dbraw/zinc/77/90/64/365779064.db2.gz WWPXKQAQNVACQI-UHFFFAOYSA-N 0 0 324.465 2.369 10 30 DEEERN C=CCN(CCOC)C(=O)c1ccc2[nH]c(=O)n(C3CC3)c2c1 ZINC000613934581 362248284 /nfs/dbraw/zinc/24/82/84/362248284.db2.gz XZPANFJPJOLUPA-UHFFFAOYSA-N 0 0 315.373 2.351 10 30 DEEERN CN1CC[C@@H](NC(=O)C(C)(C)C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000245724875 529794653 /nfs/dbraw/zinc/79/46/53/529794653.db2.gz WZXCSCCDJQNNRF-KGLIPLIRSA-N 0 0 307.344 2.376 10 30 DEEERN CNC(=O)[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)C(C)C ZINC000178818225 529920008 /nfs/dbraw/zinc/92/00/08/529920008.db2.gz KNUXDBNTUPPOKL-HUUCEWRRSA-N 0 0 316.405 2.101 10 30 DEEERN N#Cc1cc(NC(=O)N2CCC(n3cncn3)CC2)ccc1F ZINC000102954921 185427345 /nfs/dbraw/zinc/42/73/45/185427345.db2.gz ACZAMGCRXITDLZ-UHFFFAOYSA-N 0 0 314.324 2.158 10 30 DEEERN C=CCCOCCCCC(=O)N1CC[C@@H](N2CCC2)[C@H](F)C1 ZINC000614094781 362281894 /nfs/dbraw/zinc/28/18/94/362281894.db2.gz UZAJTDLHBOOPHP-HZPDHXFCSA-N 0 0 312.429 2.394 10 30 DEEERN C=CCC1(C(=O)N2CC[C@H](N3CCC3)[C@@H](F)C2)CCOCC1 ZINC000614103626 362288163 /nfs/dbraw/zinc/28/81/63/362288163.db2.gz MAQJQBIHJPNTMR-GJZGRUSLSA-N 0 0 310.413 2.004 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC=C(c2ccco2)C1 ZINC000614683975 362437254 /nfs/dbraw/zinc/43/72/54/362437254.db2.gz OIQNFJCRCYEIEO-OAHLLOKOSA-N 0 0 302.374 2.366 10 30 DEEERN C=CC[C@H](C(=O)N1CC(CN2CCOCC2)C1)c1ccccc1 ZINC000615142115 362545094 /nfs/dbraw/zinc/54/50/94/362545094.db2.gz XHXZXDIQXIJQME-SFHVURJKSA-N 0 0 314.429 2.137 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(OC)c(C)c(OC)c1 ZINC000615235065 362563195 /nfs/dbraw/zinc/56/31/95/362563195.db2.gz AZPQEAGBQSTMIJ-CQSZACIVSA-N 0 0 320.389 2.422 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC000615871945 362722635 /nfs/dbraw/zinc/72/26/35/362722635.db2.gz TYCQOWJYZJKZTP-KOLCDFICSA-N 0 0 316.279 2.269 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCCc2ccccc2CC1 ZINC000615956701 362738197 /nfs/dbraw/zinc/73/81/97/362738197.db2.gz DYGJUEDXQZRGMM-SFHVURJKSA-N 0 0 314.429 2.475 10 30 DEEERN C=C[C@H](CC(=O)N1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000126538749 185872338 /nfs/dbraw/zinc/87/23/38/185872338.db2.gz JILZBCXGNHKYLQ-GDBMZVCRSA-N 0 0 300.402 2.426 10 30 DEEERN CC(C)(C)OC(=O)N1C[C@@H](C#CCc2ccccc2)[C@H](O)C1 ZINC000616581498 362894229 /nfs/dbraw/zinc/89/42/29/362894229.db2.gz VWFFTZUZKFPELO-HZPDHXFCSA-N 0 0 301.386 2.460 10 30 DEEERN CS(=O)(=O)N1c2ccccc2NC[C@@H]1c1ccc(C#N)cc1 ZINC000616685011 362908968 /nfs/dbraw/zinc/90/89/68/362908968.db2.gz OPOLLBVPQWVSAP-MRXNPFEDSA-N 0 0 313.382 2.491 10 30 DEEERN COC(=O)CCCCCN1C(=O)c2ccc(OC)cc2[C@H]1C#N ZINC000071678559 191005870 /nfs/dbraw/zinc/00/58/70/191005870.db2.gz BFOVQQOPZPIYBC-OAHLLOKOSA-N 0 0 316.357 2.449 10 30 DEEERN C[C@@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000147423221 186039570 /nfs/dbraw/zinc/03/95/70/186039570.db2.gz RORALGQXAWIHGY-CQSZACIVSA-N 0 0 306.431 2.454 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(N)cc(Br)c1 ZINC000147763208 186041544 /nfs/dbraw/zinc/04/15/44/186041544.db2.gz OYOYPCCPFURPIZ-UFBFGSQYSA-N 0 0 308.179 2.453 10 30 DEEERN C[C@@H]1CCC[C@@H](C)N1NS(=O)(=O)Cc1ccccc1C#N ZINC000147786536 186041711 /nfs/dbraw/zinc/04/17/11/186041711.db2.gz QFSAUYWAMWULRQ-CHWSQXEVSA-N 0 0 307.419 2.156 10 30 DEEERN C[C@@H]1CCC[C@@H](C)N1NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000147787848 186042025 /nfs/dbraw/zinc/04/20/25/186042025.db2.gz ZQMVFMBAFXHWPG-CHWSQXEVSA-N 0 0 307.419 2.156 10 30 DEEERN CC(C)CCCCNS(=O)(=O)c1ccccc1C#CCO ZINC000147801469 186042103 /nfs/dbraw/zinc/04/21/03/186042103.db2.gz OKTUWNMJNBVNIV-UHFFFAOYSA-N 0 0 309.431 2.135 10 30 DEEERN O=C(NCc1sccc1C#CCCO)c1ccccc1O ZINC000148624446 186045078 /nfs/dbraw/zinc/04/50/78/186045078.db2.gz RFTHOSKKPNCXBJ-UHFFFAOYSA-N 0 0 301.367 2.118 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(N)c(F)c1 ZINC000148719594 186045495 /nfs/dbraw/zinc/04/54/95/186045495.db2.gz WESAZKNVCUEUNT-UHFFFAOYSA-N 0 0 305.334 2.389 10 30 DEEERN N#Cc1ccccc1CS(=O)(=O)Nc1ccc(N)c(F)c1 ZINC000148722899 186045869 /nfs/dbraw/zinc/04/58/69/186045869.db2.gz KORDZYZFYQYAKX-UHFFFAOYSA-N 0 0 305.334 2.221 10 30 DEEERN C=C(C)COCCNc1ccccc1S(=O)(=O)NC(C)C ZINC000163999961 186145508 /nfs/dbraw/zinc/14/55/08/186145508.db2.gz OMNDSAGPNMAVSE-UHFFFAOYSA-N 0 0 312.435 2.378 10 30 DEEERN Cc1nc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)no1 ZINC000175697924 186189423 /nfs/dbraw/zinc/18/94/23/186189423.db2.gz INRVXCDMAMUJMF-UHFFFAOYSA-N 0 0 311.345 2.124 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)NCc1ccco1 ZINC000617037429 363006857 /nfs/dbraw/zinc/00/68/57/363006857.db2.gz NCAXIYSZTYPBQZ-UKRRQHHQSA-N 0 0 319.405 2.330 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cnc2n(c1=O)CCS2 ZINC000617036826 363006942 /nfs/dbraw/zinc/00/69/42/363006942.db2.gz FPHFUNHUNGAZSJ-YPMHNXCESA-N 0 0 319.430 2.214 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1cccc(O)c1 ZINC000617043063 363007927 /nfs/dbraw/zinc/00/79/27/363007927.db2.gz YZSUHBZRDIKXRV-CZUORRHYSA-N 0 0 316.401 2.373 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)C(C)(C)C ZINC000617042128 363007969 /nfs/dbraw/zinc/00/79/69/363007969.db2.gz NRJXZVGSPNKRKE-STQMWFEESA-N 0 0 301.452 2.451 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cn1nnc2c1CCCC2 ZINC000617043974 363008236 /nfs/dbraw/zinc/00/82/36/363008236.db2.gz HJSKSDLBHKWEQX-KBPBESRZSA-N 0 0 302.422 2.408 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000617393490 363120291 /nfs/dbraw/zinc/12/02/91/363120291.db2.gz QUEWAXKNSSLQCD-KRWDZBQOSA-N 0 0 302.374 2.288 10 30 DEEERN C=CCCC1(CNC(=O)CNC(=O)c2ccncc2)CCCC1 ZINC000617417089 363127463 /nfs/dbraw/zinc/12/74/63/363127463.db2.gz LAJYLCZBOFUSRU-UHFFFAOYSA-N 0 0 315.417 2.454 10 30 DEEERN C=CCCC1(CNC(=O)CCC(=O)N2CCOCC2)CCCC1 ZINC000617415288 363127795 /nfs/dbraw/zinc/12/77/95/363127795.db2.gz GPWYTVDUYHPGCE-UHFFFAOYSA-N 0 0 322.449 2.268 10 30 DEEERN C=CCCC1(CNC(=O)c2ccc(C(N)=O)cn2)CCCC1 ZINC000617416455 363128019 /nfs/dbraw/zinc/12/80/19/363128019.db2.gz QVFVUOXIYQDYRQ-UHFFFAOYSA-N 0 0 301.390 2.437 10 30 DEEERN C#CCNC(=O)c1ccc(N[C@@H](C)COCc2ccccc2)nc1 ZINC000172780532 198149280 /nfs/dbraw/zinc/14/92/80/198149280.db2.gz LAMKYERVRZZDGZ-HNNXBMFYSA-N 0 0 323.396 2.462 10 30 DEEERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CSC1(C)C ZINC000328730197 539909846 /nfs/dbraw/zinc/90/98/46/539909846.db2.gz FYLQIADYZQSXGX-MNOVXSKESA-N 0 0 320.480 2.041 10 30 DEEERN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2cnnn2C)cc1 ZINC000328632069 539909321 /nfs/dbraw/zinc/90/93/21/539909321.db2.gz AEABENATKNQGOU-ZFWWWQNUSA-N 0 0 300.362 2.348 10 30 DEEERN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)[C@H]1CC=CCC1 ZINC000328940605 539912491 /nfs/dbraw/zinc/91/24/91/539912491.db2.gz SLLNJQMQRAFIPF-HNNXBMFYSA-N 0 0 319.449 2.244 10 30 DEEERN C[C@H](NC(=O)N1CC2(CCC2)[C@@H]1C1CC1)c1nnc2n1CCC2 ZINC000329634384 539925636 /nfs/dbraw/zinc/92/56/36/539925636.db2.gz XDHRKRDBNRYLMA-FZMZJTMJSA-N 0 0 315.421 2.464 10 30 DEEERN C=CCN(C(=O)CCc1cccc(C(=O)NC)c1)[C@H](C)COC ZINC000617581782 363195969 /nfs/dbraw/zinc/19/59/69/363195969.db2.gz ZGQPGAPEIPMBHW-CQSZACIVSA-N 0 0 318.417 2.028 10 30 DEEERN Cc1nc([C@H](C)NC(=O)N2CCC[C@@H](n3cncn3)C2)cs1 ZINC000329815594 539930121 /nfs/dbraw/zinc/93/01/21/539930121.db2.gz VIBDFBZLASFGRO-CMPLNLGQSA-N 0 0 320.422 2.355 10 30 DEEERN C=CCN(C(=O)c1ccc(C(F)(F)F)c(=O)[nH]1)[C@@H](C)COC ZINC000617583544 363197418 /nfs/dbraw/zinc/19/74/18/363197418.db2.gz KQHAVBIYAGXJLL-VIFPVBQESA-N 0 0 318.295 2.469 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-n3cnnn3)c2)C1 ZINC000626262342 366128371 /nfs/dbraw/zinc/12/83/71/366128371.db2.gz GZVCVDQWEQYQGW-CYBMUJFWSA-N 0 0 312.377 2.401 10 30 DEEERN C=CCCOCCNC(=O)c1cc(C)n(-c2cnccn2)c1C ZINC000626274184 366131754 /nfs/dbraw/zinc/13/17/54/366131754.db2.gz ZFSCMQYMUXTGDP-UHFFFAOYSA-N 0 0 314.389 2.207 10 30 DEEERN C=CCSc1ccccc1C(=O)NCc1nc(COC)n[nH]1 ZINC000617935588 363320750 /nfs/dbraw/zinc/32/07/50/363320750.db2.gz HUBPCFFLHIHTKX-UHFFFAOYSA-N 0 0 318.402 2.159 10 30 DEEERN C=C1C(=O)O[C@@H]2[C@H]1[C@@H](OC(C)=O)C[C@H](C)[C@@H]1CCC(=O)[C@@]21C ZINC000004098043 181072910 /nfs/dbraw/zinc/07/29/10/181072910.db2.gz VWBKXLDATRBPOE-VICSMPQUSA-N 0 0 306.358 2.041 10 30 in-vitro DEEERN COc1cccc(/C=N/NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)c1O ZINC000004322493 181097686 /nfs/dbraw/zinc/09/76/86/181097686.db2.gz ZHGCJBOHOQMSQH-JSUQOCEESA-N 0 0 319.430 2.387 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2ccc(OCCC(N)=O)cc2)C1 ZINC000626375351 366165659 /nfs/dbraw/zinc/16/56/59/366165659.db2.gz PZCISDWMJFMEAX-ZDUSSCGKSA-N 0 0 317.389 2.371 10 30 DEEERN CC(C)[C@@H](C)NC(=O)C1CCN(c2ccc(C#N)cn2)CC1 ZINC000054609526 354467784 /nfs/dbraw/zinc/46/77/84/354467784.db2.gz OBFJDEQFBHQPHY-CYBMUJFWSA-N 0 0 300.406 2.330 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(CNC(N)=O)cc1 ZINC000058272571 354588772 /nfs/dbraw/zinc/58/87/72/354588772.db2.gz UMLHWXQXNGQAIQ-UHFFFAOYSA-N 0 0 315.295 2.045 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cc(Cl)c(Cl)[nH]2)CCN1C1CC1 ZINC000371622087 283060642 /nfs/dbraw/zinc/06/06/42/283060642.db2.gz NLHXIZMADLKFIL-SECBINFHSA-N 0 0 313.188 2.134 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)NCc1nccn1CC(C)C ZINC000352231798 540061270 /nfs/dbraw/zinc/06/12/70/540061270.db2.gz KFDWCOBAPCVESK-CQSZACIVSA-N 0 0 320.437 2.016 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CCCC3(C)C)cc2C1=O ZINC000077354150 355201002 /nfs/dbraw/zinc/20/10/02/355201002.db2.gz JYMQCOWBQHRHQR-UHFFFAOYSA-N 0 0 312.369 2.483 10 30 DEEERN N#Cc1ccccc1S(=O)(=O)N[C@H]1C[C@H]1c1cccs1 ZINC000074777555 191358807 /nfs/dbraw/zinc/35/88/07/191358807.db2.gz ROIPBYCPZHVIAN-NEPJUHHUSA-N 0 0 304.396 2.454 10 30 DEEERN CS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000074971259 191398414 /nfs/dbraw/zinc/39/84/14/191398414.db2.gz XWKOFYVZMICVSU-UHFFFAOYSA-N 0 0 314.366 2.143 10 30 DEEERN Cc1cc(Nc2ccc3n[nH]c(C(N)=O)c3c2)c(C#N)c(C)n1 ZINC000089651892 355539655 /nfs/dbraw/zinc/53/96/55/355539655.db2.gz JFKIMMXTDUICDB-UHFFFAOYSA-N 0 0 306.329 2.289 10 30 DEEERN N#Cc1ccncc1NC[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000091736017 355606043 /nfs/dbraw/zinc/60/60/43/355606043.db2.gz LQYXIBZZCRHECQ-MRXNPFEDSA-N 0 0 320.396 2.456 10 30 DEEERN C=CCNc1ncc(C(=O)NCCCC2CCOCC2)s1 ZINC000452207893 540192491 /nfs/dbraw/zinc/19/24/91/540192491.db2.gz OEMFIQKZAJQPMZ-UHFFFAOYSA-N 0 0 309.435 2.678 10 30 DEEERN COc1ccc(CNC(=O)C[C@H]2C=CC(=O)CC2)c(OC)c1 ZINC000118363761 355780683 /nfs/dbraw/zinc/78/06/83/355780683.db2.gz NJKVQWVKJQRULH-LBPRGKRZSA-N 0 0 303.358 2.245 10 30 DEEERN CCOc1ccc(/C=C/C(=O)N2CCN(CCC#N)CC2)cc1 ZINC000078527056 191879036 /nfs/dbraw/zinc/87/90/36/191879036.db2.gz GZUVJMYKCRJZRD-RMKNXTFCSA-N 0 0 313.401 2.156 10 30 DEEERN N#CC1CCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000147210080 355911398 /nfs/dbraw/zinc/91/13/98/355911398.db2.gz NABOAGWJGFTZBH-AWEZNQCLSA-N 0 0 315.398 2.252 10 30 DEEERN COC(=O)CN(C(=O)c1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000182975885 356155087 /nfs/dbraw/zinc/15/50/87/356155087.db2.gz AHVFFDNRDXDMDY-UHFFFAOYSA-N 0 0 300.358 2.265 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1cccnc1OC1CCCC1 ZINC000183024459 356157128 /nfs/dbraw/zinc/15/71/28/356157128.db2.gz ZQGRJTLVLDXPIV-AWEZNQCLSA-N 0 0 319.405 2.139 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)C#N ZINC000182782511 356145366 /nfs/dbraw/zinc/14/53/66/356145366.db2.gz SBLUSEANANPJHQ-LBPRGKRZSA-N 0 0 302.334 2.452 10 30 DEEERN C=CCOCCCC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000080294353 192020680 /nfs/dbraw/zinc/02/06/80/192020680.db2.gz IDNVTYTYXNLMEG-MRXNPFEDSA-N 0 0 316.401 2.281 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000184140843 356186514 /nfs/dbraw/zinc/18/65/14/356186514.db2.gz GVNFOYFGWBXJLZ-CQSZACIVSA-N 0 0 319.405 2.273 10 30 DEEERN N#Cc1cnc(I)c(OC(F)(F)F)c1 ZINC000238526383 356304100 /nfs/dbraw/zinc/30/41/00/356304100.db2.gz IYXZUCFWDSTHBD-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN N#Cc1c(I)ccnc1OC(F)(F)F ZINC000238549798 356304259 /nfs/dbraw/zinc/30/42/59/356304259.db2.gz OWKXVJIXMQUTDI-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN N#Cc1ccnc(I)c1OC(F)(F)F ZINC000238522596 356304562 /nfs/dbraw/zinc/30/45/62/356304562.db2.gz ULOOWTCECRNGNO-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN COC(=O)c1c(F)cccc1NC(=O)c1cc(C#N)cn1C ZINC000081155489 192230780 /nfs/dbraw/zinc/23/07/80/192230780.db2.gz WETVLBXVJYGKTN-UHFFFAOYSA-N 0 0 301.277 2.075 10 30 DEEERN O=C(C#CBr)NCc1sccc1Br ZINC000306160854 356403055 /nfs/dbraw/zinc/40/30/55/356403055.db2.gz UDOGAEUXINMGSI-UHFFFAOYSA-N 0 0 323.009 2.483 10 30 DEEERN COC(=O)c1cc(F)c(C#N)cc1I ZINC000306603764 356404695 /nfs/dbraw/zinc/40/46/95/356404695.db2.gz MYHHQSUUFVWMSE-UHFFFAOYSA-N 0 0 305.046 2.089 10 30 DEEERN CC(=O)NCC1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000323000386 356455170 /nfs/dbraw/zinc/45/51/70/356455170.db2.gz CUCRIFYILXSLLG-UHFFFAOYSA-N 0 0 308.385 2.459 10 30 DEEERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)NCc1cc[nH]c(=O)c1 ZINC000328626229 356463405 /nfs/dbraw/zinc/46/34/05/356463405.db2.gz DWZKCHGIBCMDLR-IUODEOHRSA-N 0 0 316.361 2.238 10 30 DEEERN Cc1cnc(CCNC(=O)c2cn(C)nc2[C@@H]2CCOC2)s1 ZINC000328628144 356463791 /nfs/dbraw/zinc/46/37/91/356463791.db2.gz NJSSSJMAWMQZLP-LLVKDONJSA-N 0 0 320.418 2.236 10 30 DEEERN Cc1cc(C)n2ncc(-c3noc(-c4cc(C#N)cn4C)n3)c2n1 ZINC000081533559 192284836 /nfs/dbraw/zinc/28/48/36/192284836.db2.gz NNOOSKIYUUBGDL-UHFFFAOYSA-N 0 0 319.328 2.273 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000081611295 192302447 /nfs/dbraw/zinc/30/24/47/192302447.db2.gz MZNNUBYHOZFMTJ-ZDUSSCGKSA-N 0 0 313.279 2.398 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cnc(OC)c(OC)c1 ZINC000626717506 366287132 /nfs/dbraw/zinc/28/71/32/366287132.db2.gz NCGJOSSSXHZFDQ-RISCZKNCSA-N 0 0 321.377 2.202 10 30 DEEERN C=CCN1C(=O)c2ccc(-c3nc(-c4cocn4)no3)cc2C1=O ZINC000350869999 356579628 /nfs/dbraw/zinc/57/96/28/356579628.db2.gz AIHQPMDYNBDHJG-UHFFFAOYSA-N 0 0 322.280 2.174 10 30 DEEERN C=CCOCCCNC(=O)c1ccc2c(c1)SCC(=O)N2 ZINC000618525481 363515664 /nfs/dbraw/zinc/51/56/64/363515664.db2.gz IWROUIPJLSWTCI-UHFFFAOYSA-N 0 0 306.387 2.053 10 30 DEEERN C=CCOCCCNC(=O)c1cc(OCC(F)F)ccn1 ZINC000618525518 363516288 /nfs/dbraw/zinc/51/62/88/363516288.db2.gz DGPANGHDMKIDCC-UHFFFAOYSA-N 0 0 300.305 2.048 10 30 DEEERN C=CCOCCCNC(=O)[C@@H](C)Cn1ncc2ccccc21 ZINC000618526277 363517704 /nfs/dbraw/zinc/51/77/04/363517704.db2.gz QZXRSMDSYYQCPP-AWEZNQCLSA-N 0 0 301.390 2.381 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NCC1(C(=O)OC(C)(C)C)CCC1 ZINC000595645152 358511270 /nfs/dbraw/zinc/51/12/70/358511270.db2.gz VTUSZRJWCKFGKK-OLZOCXBDSA-N 0 0 324.421 2.141 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1COc2ccccc21 ZINC000581366343 357175572 /nfs/dbraw/zinc/17/55/72/357175572.db2.gz SAXRECXDENWGTR-GUTXKFCHSA-N 0 0 302.374 2.053 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000584787066 357310371 /nfs/dbraw/zinc/31/03/71/357310371.db2.gz BJYCBPUFEGEDMX-UHFFFAOYSA-N 0 0 300.362 2.135 10 30 DEEERN C=CCSCCNC(=O)N1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000588315850 357406067 /nfs/dbraw/zinc/40/60/67/357406067.db2.gz MTXXCZVFAJPLSJ-NXEZZACHSA-N 0 0 312.357 2.267 10 30 DEEERN C=CCCOCC(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000589946042 357506528 /nfs/dbraw/zinc/50/65/28/357506528.db2.gz JMHWCGBDXPJNGI-UHFFFAOYSA-N 0 0 302.330 2.486 10 30 DEEERN CN(C)C(=O)C[C@]1(O)CCCN(c2ccc(Cl)cc2C#N)C1 ZINC000591618799 357744247 /nfs/dbraw/zinc/74/42/47/357744247.db2.gz UZEPIAWRBPDTRU-MRXNPFEDSA-N 0 0 321.808 2.021 10 30 DEEERN C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 ZINC000591649752 357747940 /nfs/dbraw/zinc/74/79/40/357747940.db2.gz NPPOQBZKXFHGBF-CJNGLKHVSA-N 0 0 319.384 2.190 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000593223960 358035970 /nfs/dbraw/zinc/03/59/70/358035970.db2.gz FRFPVNZGNZJCSH-SYQHCUMBSA-N 0 0 309.406 2.299 10 30 DEEERN C#CCCCCC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000180188967 199129022 /nfs/dbraw/zinc/12/90/22/199129022.db2.gz MMRHVKWIXDARBW-INIZCTEOSA-N 0 0 302.422 2.327 10 30 DEEERN C=CCCn1cc(C[S@@](=O)Cc2c(C)onc2CC)nn1 ZINC000593936672 358174624 /nfs/dbraw/zinc/17/46/24/358174624.db2.gz XMHLKTHOJGMCLZ-OAQYLSRUSA-N 0 0 308.407 2.162 10 30 DEEERN C=CCCn1cc(C[S@@](=O)Cc2cccc(OCC)n2)nn1 ZINC000593937775 358174841 /nfs/dbraw/zinc/17/48/41/358174841.db2.gz ZQDXJMULFGAEOO-QFIPXVFZSA-N 0 0 320.418 2.097 10 30 DEEERN C=CCCn1cc(C[S@](=O)Cc2ccccc2OC)nn1 ZINC000593937466 358175118 /nfs/dbraw/zinc/17/51/18/358175118.db2.gz WQNCXIOWIFAIKU-OAQYLSRUSA-N 0 0 305.403 2.312 10 30 DEEERN C=CCCn1cc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)nn1 ZINC000593961024 358178749 /nfs/dbraw/zinc/17/87/49/358178749.db2.gz NYAKCPKNFXWNEO-CYBMUJFWSA-N 0 0 306.410 2.018 10 30 DEEERN CC(=O)N1CCN(C(=O)CCCCC#N)CC12CCCCC2 ZINC000593999465 358186631 /nfs/dbraw/zinc/18/66/31/358186631.db2.gz VIESKJAGHGATJF-UHFFFAOYSA-N 0 0 305.422 2.464 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000180460520 199162209 /nfs/dbraw/zinc/16/22/09/199162209.db2.gz PAPQISLQLRNKSF-SECBINFHSA-N 0 0 313.760 2.142 10 30 DEEERN C=CCCn1cc(CSCC(=O)Nc2c(C)n[nH]c2C)nn1 ZINC000594566448 358294761 /nfs/dbraw/zinc/29/47/61/358294761.db2.gz YTQOERSFFHDNTQ-UHFFFAOYSA-N 0 0 320.422 2.066 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000595209568 358401990 /nfs/dbraw/zinc/40/19/90/358401990.db2.gz JBGSYRLXNSJGKI-OKILXGFUSA-N 0 0 313.332 2.345 10 30 DEEERN C[C@]1(C#N)CCN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000595367215 358432234 /nfs/dbraw/zinc/43/22/34/358432234.db2.gz OKKWINMDCAGFPN-GFCCVEGCSA-N 0 0 302.758 2.403 10 30 DEEERN C=CCCS(=O)(=O)NC[C@@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000595416701 358442024 /nfs/dbraw/zinc/44/20/24/358442024.db2.gz CMGKKBPCNXNAMQ-CYBMUJFWSA-N 0 0 317.451 2.240 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000181198156 199264752 /nfs/dbraw/zinc/26/47/52/199264752.db2.gz IQBYPWFTHYPRSB-DOMZBBRYSA-N 0 0 301.390 2.226 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)SC[C@H](OC)[C@@H]1CCOC1 ZINC000596388952 358677521 /nfs/dbraw/zinc/67/75/21/358677521.db2.gz KVFMUUZXTGKQPL-ZNMIVQPWSA-N 0 0 313.463 2.360 10 30 DEEERN C#C[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000185368573 199844854 /nfs/dbraw/zinc/84/48/54/199844854.db2.gz GZKUENHOARQNDM-FZMZJTMJSA-N 0 0 306.793 2.232 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(-n2ccnc2SC)cc1 ZINC000185710646 199879597 /nfs/dbraw/zinc/87/95/97/199879597.db2.gz UMTCURMSDWLRIO-ZDUSSCGKSA-N 0 0 317.414 2.261 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(C)n(Cc2ccccn2)c1C ZINC000185747598 199883215 /nfs/dbraw/zinc/88/32/15/199883215.db2.gz KZQXPRPJHCWYPF-MRXNPFEDSA-N 0 0 313.401 2.215 10 30 DEEERN C=CCCSCCNC(=O)c1cnn(-c2ccccc2)c1N ZINC000597973523 359056293 /nfs/dbraw/zinc/05/62/93/359056293.db2.gz FPBSGMRPWPTUPW-UHFFFAOYSA-N 0 0 316.430 2.494 10 30 DEEERN C[C@@]1(C#N)CCN(C(=O)c2ncsc2Br)C1 ZINC000598421691 359194041 /nfs/dbraw/zinc/19/40/41/359194041.db2.gz YEZINEYEAYEJOP-JTQLQIEISA-N 0 0 300.181 2.281 10 30 DEEERN C=CCOc1ccc(C(=O)N(C)[C@H]2C[C@@H](C(=O)OC)C2)cc1 ZINC000598430686 359197306 /nfs/dbraw/zinc/19/73/06/359197306.db2.gz CHMUEGQOALXWNJ-OKILXGFUSA-N 0 0 303.358 2.275 10 30 DEEERN C[C@@H]1CN(c2cnccc2C#N)C[C@H](c2nc(C3CC3)no2)O1 ZINC000598931546 359359886 /nfs/dbraw/zinc/35/98/86/359359886.db2.gz HNRHRRHQTDXENH-QMTHXVAHSA-N 0 0 311.345 2.180 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCCc2nc(C(=O)OC)ccc21 ZINC000598877333 359349364 /nfs/dbraw/zinc/34/93/64/359349364.db2.gz JZFQBVHSLOIWEK-GFCCVEGCSA-N 0 0 318.373 2.129 10 30 DEEERN N#Cc1cc(Br)cnc1N1CCO[C@H](CCF)C1 ZINC000599169041 359423046 /nfs/dbraw/zinc/42/30/46/359423046.db2.gz PETXHQIBEQMPMF-LLVKDONJSA-N 0 0 314.158 2.281 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1cc(C)c(C(=O)OC)o1 ZINC000599360778 359477175 /nfs/dbraw/zinc/47/71/75/359477175.db2.gz QKFKNTVJUCQRFI-UHFFFAOYSA-N 0 0 315.391 2.255 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cccc(C(=O)OC)c2C)C1 ZINC000599374726 359481595 /nfs/dbraw/zinc/48/15/95/359481595.db2.gz LISSGXMZTUWENZ-ZDUSSCGKSA-N 0 0 323.414 2.368 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000599374961 359482817 /nfs/dbraw/zinc/48/28/17/359482817.db2.gz ORGKCYCXGUIFGQ-SNVBAGLBSA-N 0 0 314.338 2.321 10 30 DEEERN C=CCN(C)C(=O)Nc1ccc(O[C@H](C)C(=O)OC)c(F)c1 ZINC000599869629 359614367 /nfs/dbraw/zinc/61/43/67/359614367.db2.gz CUJHVSOPWPDASB-SNVBAGLBSA-N 0 0 310.325 2.416 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000600004719 359633387 /nfs/dbraw/zinc/63/33/87/359633387.db2.gz SHCSRMXYLOSSQK-GFCCVEGCSA-N 0 0 317.345 2.266 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000600003381 359633396 /nfs/dbraw/zinc/63/33/96/359633396.db2.gz BNGOJTMDMMAARU-LLVKDONJSA-N 0 0 301.321 2.060 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000187795545 200157445 /nfs/dbraw/zinc/15/74/45/200157445.db2.gz QWIHITFGPJTYIU-KRWDZBQOSA-N 0 0 318.421 2.108 10 30 DEEERN C=CCCOCCNC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187712936 200148249 /nfs/dbraw/zinc/14/82/49/200148249.db2.gz KCZMVBVWSQVBOC-GJZGRUSLSA-N 0 0 324.446 2.058 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc2occc2c1 ZINC000627615833 366565628 /nfs/dbraw/zinc/56/56/28/366565628.db2.gz QMKUOGGZQNMBGK-JSGCOSHPSA-N 0 0 314.341 2.079 10 30 DEEERN C=CC[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188352456 200232432 /nfs/dbraw/zinc/23/24/32/200232432.db2.gz HVULMKMXMOHNEU-IUODEOHRSA-N 0 0 319.380 2.190 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cnn(C)c1C(F)F ZINC000627686830 366591419 /nfs/dbraw/zinc/59/14/19/366591419.db2.gz FSQBHQNEVRAILD-UHFFFAOYSA-N 0 0 314.336 2.015 10 30 DEEERN N#Cc1ccsc1C(=O)NCCOCC(F)(F)C(F)F ZINC000434319128 237609115 /nfs/dbraw/zinc/60/91/15/237609115.db2.gz WPPIJYQPXOFQKS-UHFFFAOYSA-N 0 0 310.272 2.267 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cccc(N(C)C)c2C)C1 ZINC000627733801 366603746 /nfs/dbraw/zinc/60/37/46/366603746.db2.gz DMQKRRARMOZTBA-AWEZNQCLSA-N 0 0 315.417 2.424 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)cc2OC)C1 ZINC000627735338 366604556 /nfs/dbraw/zinc/60/45/56/366604556.db2.gz QWMAEVHBSDHGCR-CYBMUJFWSA-N 0 0 302.374 2.367 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cccc(COC)c2)C1 ZINC000627736371 366604714 /nfs/dbraw/zinc/60/47/14/366604714.db2.gz WEZVPTNCDIOIFN-ZDUSSCGKSA-N 0 0 302.374 2.196 10 30 DEEERN C=CCC[C@@H](C(=O)NCC(=O)N1CCCO1)c1ccccc1 ZINC000627888531 366648754 /nfs/dbraw/zinc/64/87/54/366648754.db2.gz NCBSEKZUVRDGPV-OAHLLOKOSA-N 0 0 302.374 2.017 10 30 DEEERN C=CCCC(C)(C)CNS(=O)(=O)CC1(CC(=O)OC)CC1 ZINC000601497902 360054472 /nfs/dbraw/zinc/05/44/72/360054472.db2.gz HCQJCRBSTGXDOS-UHFFFAOYSA-N 0 0 317.451 2.242 10 30 DEEERN C=CCC[C@H](NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C(=O)OCC ZINC000601622137 360089913 /nfs/dbraw/zinc/08/99/13/360089913.db2.gz UGOYABNPMXGNIV-ZNMIVQPWSA-N 0 0 309.406 2.063 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)C(=O)OC ZINC000601770763 360140476 /nfs/dbraw/zinc/14/04/76/360140476.db2.gz DUPHARZDZXVUMD-RISCZKNCSA-N 0 0 309.337 2.217 10 30 DEEERN C=C(C)C[C@H](NC(=O)CSc1ccc(OC)cc1)C(=O)OC ZINC000601770697 360140540 /nfs/dbraw/zinc/14/05/40/360140540.db2.gz CQSCXJUGOXYRGR-AWEZNQCLSA-N 0 0 323.414 2.411 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1)C(=O)OC ZINC000601774238 360142559 /nfs/dbraw/zinc/14/25/59/360142559.db2.gz ZQDWRSXAEUDKET-UKRRQHHQSA-N 0 0 305.374 2.386 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc2cc(C)cn2c1)C(=O)OC ZINC000601780404 360144356 /nfs/dbraw/zinc/14/43/56/360144356.db2.gz BXKWEDADARHSFQ-HNNXBMFYSA-N 0 0 300.358 2.485 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000601780603 360144442 /nfs/dbraw/zinc/14/44/42/360144442.db2.gz DNQURFPGNROCIG-ZDUSSCGKSA-N 0 0 320.345 2.070 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H]1CCC(=O)c2ccccc21)C(=O)OC ZINC000601781069 360145860 /nfs/dbraw/zinc/14/58/60/360145860.db2.gz GVNKOSBXNUHFDC-GJZGRUSLSA-N 0 0 315.369 2.371 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H]1CCN(c2ccccc2)C1)C(=O)OC ZINC000601782835 360146788 /nfs/dbraw/zinc/14/67/88/360146788.db2.gz RFCDYMLQZXSTSM-GOEBONIOSA-N 0 0 316.401 2.137 10 30 DEEERN C=C(C)C[C@H](NC(=O)CNc1ccccc1Cl)C(=O)OC ZINC000601784651 360147601 /nfs/dbraw/zinc/14/76/01/360147601.db2.gz GBLXUSIMZKWPTO-ZDUSSCGKSA-N 0 0 310.781 2.376 10 30 DEEERN C=C(C)C[C@H](NC(=O)COC[C@H](C)c1ccccc1)C(=O)OC ZINC000601785227 360148725 /nfs/dbraw/zinc/14/87/25/360148725.db2.gz RBRPNYKLSUOPLZ-HOCLYGCPSA-N 0 0 319.401 2.431 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cnc2n1[C@@H](C)CCC2)C(=O)OC ZINC000601784982 360148973 /nfs/dbraw/zinc/14/89/73/360148973.db2.gz OLSVKVINYPMWPA-NWDGAFQWSA-N 0 0 305.378 2.018 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H]1COc2cc(F)ccc2C1)C(=O)OC ZINC000601786128 360149446 /nfs/dbraw/zinc/14/94/46/360149446.db2.gz WRMDWFZIUXVIEA-OCCSQVGLSA-N 0 0 321.348 2.001 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1noc2c1CCCCC2)C(=O)OC ZINC000601787215 360149736 /nfs/dbraw/zinc/14/97/36/360149736.db2.gz KSMVSYKKJJXYCX-LBPRGKRZSA-N 0 0 306.362 2.181 10 30 DEEERN C=C(C)C[C@@H](NC(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O)C(=O)OC ZINC000601788210 360150524 /nfs/dbraw/zinc/15/05/24/360150524.db2.gz ODDQKVIGESYYDM-IZGVIRRGSA-N 0 0 321.417 2.396 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)C(=O)OC ZINC000601787716 360150553 /nfs/dbraw/zinc/15/05/53/360150553.db2.gz NMEGMPJZLFAPAT-CYBMUJFWSA-N 0 0 306.749 2.449 10 30 DEEERN C=C[C@@H](N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)C(=O)OC ZINC000601930984 360196104 /nfs/dbraw/zinc/19/61/04/360196104.db2.gz BSHJTAOIXURABG-REWJHTLYSA-N 0 0 322.202 2.404 10 30 DEEERN C=CCC(CC=C)C(=O)NC[C@@]1(C(=O)OCC)CCCOC1 ZINC000601859829 360176216 /nfs/dbraw/zinc/17/62/16/360176216.db2.gz MUXMQZKQCXDPQE-KRWDZBQOSA-N 0 0 309.406 2.231 10 30 DEEERN Cc1cc(C#N)nc(N(C)Cc2cnn(-c3ccccc3)c2)n1 ZINC000439107477 237896571 /nfs/dbraw/zinc/89/65/71/237896571.db2.gz MAJJFBGJDNNYEW-UHFFFAOYSA-N 0 0 304.357 2.479 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1sc2ncccc2c1N)C(=O)OC ZINC000602194239 360306770 /nfs/dbraw/zinc/30/67/70/360306770.db2.gz GEFHCNABKXZJCD-JTQLQIEISA-N 0 0 319.386 2.116 10 30 DEEERN C=CCCOCC(=O)N1c2cccc(C)c2C[C@H]1C(=O)OC ZINC000602417401 360363424 /nfs/dbraw/zinc/36/34/24/360363424.db2.gz MVEQNPJGIHRTGL-HNNXBMFYSA-N 0 0 303.358 2.018 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1c2cccc(C)c2C[C@@H]1C(=O)OC ZINC000602420995 360364807 /nfs/dbraw/zinc/36/48/07/360364807.db2.gz XNQZKHFLBNDBKV-XJKSGUPXSA-N 0 0 317.385 2.407 10 30 DEEERN C=CCOC[C@@H](NC[C@H]1CCc2ccccc2C1)C(=O)OC ZINC000602642858 360473774 /nfs/dbraw/zinc/47/37/74/360473774.db2.gz AQXVPJYBJJFCLT-WMLDXEAASA-N 0 0 303.402 2.125 10 30 DEEERN CC(=O)N1CCC(Nc2cc(C#N)c(Br)cn2)CC1 ZINC000603269142 360771580 /nfs/dbraw/zinc/77/15/80/360771580.db2.gz NOPMINONFJWPCQ-UHFFFAOYSA-N 0 0 323.194 2.139 10 30 DEEERN C[C@]12CCN(S(=O)(=O)c3cccc(C#N)c3)C[C@H]1C2(F)F ZINC000292448318 223086544 /nfs/dbraw/zinc/08/65/44/223086544.db2.gz XULAWSVIDASEPB-OLZOCXBDSA-N 0 0 312.341 2.224 10 30 DEEERN Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCc1ccc(C#N)cc1F ZINC000609228390 361290736 /nfs/dbraw/zinc/29/07/36/361290736.db2.gz CZQCJTXBIAAJMO-SNVBAGLBSA-N 0 0 314.364 2.468 10 30 DEEERN N#Cc1ccc(CNC(=O)NCc2cccc(CO)c2)c(F)c1 ZINC000609253074 361291841 /nfs/dbraw/zinc/29/18/41/361291841.db2.gz RDTRJYJVCRZYLV-UHFFFAOYSA-N 0 0 313.332 2.189 10 30 DEEERN CC[C@H](C)[C@H](NC(=O)c1ccnc(C#N)c1)C(=O)OC(C)(C)C ZINC000193684053 201102454 /nfs/dbraw/zinc/10/24/54/201102454.db2.gz PEHPXTWHAPBDJX-FZMZJTMJSA-N 0 0 317.389 2.439 10 30 DEEERN N#Cc1cc(C(=O)NC[C@@H]2COC3(CCCCCC3)O2)ccn1 ZINC000193768856 201119718 /nfs/dbraw/zinc/11/97/18/201119718.db2.gz CUZDALMVGMTZBC-OAHLLOKOSA-N 0 0 315.373 2.149 10 30 DEEERN C[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccncc1 ZINC000610518528 361415173 /nfs/dbraw/zinc/41/51/73/361415173.db2.gz YATYKMMLLAGYHP-LLVKDONJSA-N 0 0 319.361 2.174 10 30 DEEERN Cc1cc(=O)n(C)cc1NC(=O)NCc1ccc(C#N)cc1F ZINC000610744438 361458338 /nfs/dbraw/zinc/45/83/38/361458338.db2.gz WLDBAIRSSMASGF-UHFFFAOYSA-N 0 0 314.320 2.026 10 30 DEEERN C[C@H](CNS(=O)(=O)c1ccccc1C#N)c1ccncc1 ZINC000611025321 361514783 /nfs/dbraw/zinc/51/47/83/361514783.db2.gz ICEVOPFVAYILHN-GFCCVEGCSA-N 0 0 301.371 2.035 10 30 DEEERN C[C@H](NC(=O)N1CCSC[C@@H]1CCO)c1cccc(C#N)c1 ZINC000611396287 361590250 /nfs/dbraw/zinc/59/02/50/361590250.db2.gz YLSREAOKHOYBQM-WFASDCNBSA-N 0 0 319.430 2.129 10 30 DEEERN C=CCOCCNC(=O)C(=O)Nc1cccc(CSCC)c1 ZINC000611548118 361629016 /nfs/dbraw/zinc/62/90/16/361629016.db2.gz DZWJZTWOJVLAAK-UHFFFAOYSA-N 0 0 322.430 2.197 10 30 DEEERN COC[C@@](C)(NCC(=O)Nc1sccc1C#N)C(F)(F)F ZINC000611717317 361667385 /nfs/dbraw/zinc/66/73/85/361667385.db2.gz LWXYUNGRFNKIFN-LLVKDONJSA-N 0 0 321.324 2.115 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CCO[C@@H](CC)C1 ZINC000611995491 361721824 /nfs/dbraw/zinc/72/18/24/361721824.db2.gz WRXKBZRSDLHULW-UGUYLWEFSA-N 0 0 322.449 2.311 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CCO[C@H](CC)C1 ZINC000611995490 361721894 /nfs/dbraw/zinc/72/18/94/361721894.db2.gz WRXKBZRSDLHULW-QXSJWSMHSA-N 0 0 322.449 2.311 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1OC ZINC000612033267 361727818 /nfs/dbraw/zinc/72/78/18/361727818.db2.gz KEFAIAARETWSKV-ZJIFWQFVSA-N 0 0 322.449 2.311 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@@](F)(C#N)C1 ZINC000619742770 363869497 /nfs/dbraw/zinc/86/94/97/363869497.db2.gz OUTRGEUFEHXQJK-MRXNPFEDSA-N 0 0 315.352 2.284 10 30 DEEERN C[S@](=O)c1cccc(C(=O)NCC2CCC(C#N)CC2)c1 ZINC000619664034 363851247 /nfs/dbraw/zinc/85/12/47/363851247.db2.gz UVFJUGZVIPEVCP-BOOFNHFASA-N 0 0 304.415 2.484 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1ccccc1)[C@@H](O)C(C)C ZINC000619916700 363907793 /nfs/dbraw/zinc/90/77/93/363907793.db2.gz KDNPBPACCTXTOV-QZWWFDLISA-N 0 0 303.402 2.452 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000620313970 364014082 /nfs/dbraw/zinc/01/40/82/364014082.db2.gz MEBAZUNKIFREBO-ZWUHOBOKSA-N 0 0 306.431 2.150 10 30 DEEERN C=CCCOCC(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000620168351 363980885 /nfs/dbraw/zinc/98/08/85/363980885.db2.gz ZEYDFRMHYQUYFM-UHFFFAOYSA-N 0 0 314.389 2.028 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)NC1CCCCC1 ZINC000620312658 364013904 /nfs/dbraw/zinc/01/39/04/364013904.db2.gz HPFHHMQBBMUTJX-GASCZTMLSA-N 0 0 305.422 2.328 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nc2c1c(=O)[nH]n2C ZINC000620314445 364013969 /nfs/dbraw/zinc/01/39/69/364013969.db2.gz GDSHRKMAPHIVPJ-TXEJJXNPSA-N 0 0 312.373 2.306 10 30 DEEERN C=CCC1(C(=O)NCC2(CC(N)=O)CCCCC2)CCOCC1 ZINC000620693407 364126282 /nfs/dbraw/zinc/12/62/82/364126282.db2.gz MFZJIRRMOVGPSL-UHFFFAOYSA-N 0 0 322.449 2.301 10 30 DEEERN C=CCn1cc(C(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)nn1 ZINC000628458231 366853398 /nfs/dbraw/zinc/85/33/98/366853398.db2.gz IIXAYYPVEAEYSU-NWANDNLSSA-N 0 0 314.776 2.186 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1 ZINC000628482396 366862198 /nfs/dbraw/zinc/86/21/98/366862198.db2.gz NEWYGKQZMSMQPS-ZDUSSCGKSA-N 0 0 312.369 2.378 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CCN2C(=O)COc3ccccc32)C1 ZINC000628484034 366863828 /nfs/dbraw/zinc/86/38/28/366863828.db2.gz CFMCVJVBYKNHCZ-CQSZACIVSA-N 0 0 314.385 2.227 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Cn2c(C)nc3ccccc3c2=O)C1 ZINC000628485804 366864064 /nfs/dbraw/zinc/86/40/64/366864064.db2.gz ULAIKOJTYAIQTA-AWEZNQCLSA-N 0 0 311.385 2.130 10 30 DEEERN C=CC[C@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000628487453 366865382 /nfs/dbraw/zinc/86/53/82/366865382.db2.gz FWCKTZLGZMUQAO-WMZOPIPTSA-N 0 0 314.429 2.312 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cc(Cn3cc(C)cn3)on2)C1 ZINC000628490344 366865388 /nfs/dbraw/zinc/86/53/88/366865388.db2.gz WLCHZPGTDIAASU-CYBMUJFWSA-N 0 0 300.362 2.266 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)C1 ZINC000628487661 366865483 /nfs/dbraw/zinc/86/54/83/366865483.db2.gz JUXXJXKJHWZWRQ-ZDUSSCGKSA-N 0 0 314.389 2.019 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2ccc(-n3nnnc3C)cc2F)C1 ZINC000628493866 366866595 /nfs/dbraw/zinc/86/65/95/366866595.db2.gz YHKRJOLGAODXKQ-GFCCVEGCSA-N 0 0 315.352 2.148 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1Cc2ccccc2OC[C@@H]1C ZINC000622843698 364810722 /nfs/dbraw/zinc/81/07/22/364810722.db2.gz GJWXIFLKHQLPHQ-XJKSGUPXSA-N 0 0 316.401 2.267 10 30 DEEERN C=CCC1(C(=O)Nc2nc3nc(C)cc(=O)n3[nH]2)CCCCC1 ZINC000622870204 364816461 /nfs/dbraw/zinc/81/64/61/364816461.db2.gz URAIDTWROJATSQ-UHFFFAOYSA-N 0 0 315.377 2.191 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000628492661 366867221 /nfs/dbraw/zinc/86/72/21/366867221.db2.gz ZFDFZBOYMWAFNR-GFCCVEGCSA-N 0 0 305.374 2.377 10 30 DEEERN C=CC(C)(C)CNC(=O)N[C@@H]1c2ccccc2CN(C)C1=O ZINC000623216800 364926087 /nfs/dbraw/zinc/92/60/87/364926087.db2.gz KDRGKWLLZOJPLF-CQSZACIVSA-N 0 0 301.390 2.211 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCCCN(C)CC(F)(F)F)C1 ZINC000623475133 365043518 /nfs/dbraw/zinc/04/35/18/365043518.db2.gz BDSZCFUZRMXMOX-LBPRGKRZSA-N 0 0 307.360 2.478 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2n[nH]cc2Br)C1 ZINC000623639752 365114219 /nfs/dbraw/zinc/11/42/19/365114219.db2.gz HCPUQIQULQJEMU-VIFPVBQESA-N 0 0 313.199 2.280 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCCc2cccc(C(=O)NC)c2)C1 ZINC000623649564 365115930 /nfs/dbraw/zinc/11/59/30/365115930.db2.gz AJHPAWJBMOKGCY-OAHLLOKOSA-N 0 0 315.417 2.196 10 30 DEEERN C=CCC[C@H](NC(=O)NC[C@@H]1COCCN1C)c1ccccc1 ZINC000623785674 365175204 /nfs/dbraw/zinc/17/52/04/365175204.db2.gz CEAGXPRGQNAMJK-SJORKVTESA-N 0 0 317.433 2.324 10 30 DEEERN O=C(Nc1ccc(Cl)cn1)c1ccncc1C#CCCO ZINC000091458155 193058266 /nfs/dbraw/zinc/05/82/66/193058266.db2.gz JXBPEXRZDJNCHT-UHFFFAOYSA-N 0 0 301.733 2.116 10 30 DEEERN N#CC1([C@@H](O)c2cc(Cl)c3c(c2)OCCO3)CCOCC1 ZINC000091880922 193122141 /nfs/dbraw/zinc/12/21/41/193122141.db2.gz SRBYSDTWQAFERP-AWEZNQCLSA-N 0 0 309.749 2.465 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000624464034 365429860 /nfs/dbraw/zinc/42/98/60/365429860.db2.gz JDUYZZSYBIYOTQ-ZDUSSCGKSA-N 0 0 307.369 2.254 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCn2c(CC3CC3)nnc2C1 ZINC000624461759 365430311 /nfs/dbraw/zinc/43/03/11/365430311.db2.gz LFEGECXWYTVTIP-UHFFFAOYSA-N 0 0 317.437 2.358 10 30 DEEERN C=CCN(C(=O)c1coc(C(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000624490031 365441941 /nfs/dbraw/zinc/44/19/41/365441941.db2.gz LNTWGZCITXUMBA-JTQLQIEISA-N 0 0 319.329 2.033 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC000624637808 365499002 /nfs/dbraw/zinc/49/90/02/365499002.db2.gz HECCBRMSXDLJMF-RYUDHWBXSA-N 0 0 308.378 2.001 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC000624637807 365499464 /nfs/dbraw/zinc/49/94/64/365499464.db2.gz HECCBRMSXDLJMF-NWDGAFQWSA-N 0 0 308.378 2.001 10 30 DEEERN C=CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000629088193 367073883 /nfs/dbraw/zinc/07/38/83/367073883.db2.gz ZYIBRAKTRYYGJL-MAUKXSAKSA-N 0 0 301.386 2.486 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1 ZINC000629770017 367333892 /nfs/dbraw/zinc/33/38/92/367333892.db2.gz YFQALSGSJCSBFU-YXJHDRRASA-N 0 0 301.386 2.166 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1scnc1-c1ccccc1 ZINC000450845252 242298449 /nfs/dbraw/zinc/29/84/49/242298449.db2.gz MRIFMJYMLLCHOS-ZDUSSCGKSA-N 0 0 302.399 2.406 10 30 DEEERN C=CC[C@H](CO)NC(=O)C1(Cc2ccccc2)CCOCC1 ZINC000450844581 242301946 /nfs/dbraw/zinc/30/19/46/242301946.db2.gz LFWIWMBXFZJZKH-MRXNPFEDSA-N 0 0 303.402 2.079 10 30 DEEERN C=CC[C@H](Cc1ccccc1)n1cc(CCn2cncn2)nn1 ZINC000630592694 367746461 /nfs/dbraw/zinc/74/64/61/367746461.db2.gz WNPFPEYFHYENAH-QGZVFWFLSA-N 0 0 308.389 2.472 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H](C)c2ccc3c(c2)OCO3)C1=O ZINC000630964706 367939181 /nfs/dbraw/zinc/93/91/81/367939181.db2.gz JZFSTTFVLMHBKA-CMPLNLGQSA-N 0 0 302.330 2.363 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H](C)COc2cccc(F)c2)C1=O ZINC000630967879 367941336 /nfs/dbraw/zinc/94/13/36/367941336.db2.gz OEXPRNBMBYODOL-RISCZKNCSA-N 0 0 306.337 2.480 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCc2cccc(OC)c2OC)C1=O ZINC000630968626 367941600 /nfs/dbraw/zinc/94/16/00/367941600.db2.gz BCCKICBXAFDIDS-CYBMUJFWSA-N 0 0 318.373 2.133 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCCOc2ccccc2OC)C1=O ZINC000630970787 367942410 /nfs/dbraw/zinc/94/24/10/367942410.db2.gz DOVOWDYNOWIBLW-ZDUSSCGKSA-N 0 0 318.373 2.351 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCOc2ccc(F)cc2F)C1=O ZINC000630971427 367944061 /nfs/dbraw/zinc/94/40/61/367944061.db2.gz HOOVFVHLIWNQBW-GFCCVEGCSA-N 0 0 310.300 2.230 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCc2ccc(OC)c(F)c2)C1=O ZINC000630973882 367945071 /nfs/dbraw/zinc/94/50/71/367945071.db2.gz SIRKBLGOUKHDRS-ZDUSSCGKSA-N 0 0 306.337 2.263 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@@H](C)Oc2ccccc2OC)C1=O ZINC000630973868 367945238 /nfs/dbraw/zinc/94/52/38/367945238.db2.gz GCQGIVVDLCAPPF-CHWSQXEVSA-N 0 0 318.373 2.349 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCc2cn3cccc(C)c3n2)C1=O ZINC000630974734 367945277 /nfs/dbraw/zinc/94/52/77/367945277.db2.gz RPMAAQADVJZILO-AWEZNQCLSA-N 0 0 312.373 2.072 10 30 DEEERN C=CCC[C@H]1NC(=O)N(Cc2ccc(C(C)(C)C)[nH]c2=O)C1=O ZINC000630992564 367955833 /nfs/dbraw/zinc/95/58/33/367955833.db2.gz SDDIIZJGCQVFPU-GFCCVEGCSA-N 0 0 317.389 2.471 10 30 DEEERN CC(=O)c1ccc(C#N)c(N2CCC(CCO)(CCO)CC2)c1 ZINC000631474151 368243937 /nfs/dbraw/zinc/24/39/37/368243937.db2.gz FTFYFVRXSQPEMC-UHFFFAOYSA-N 0 0 316.401 2.112 10 30 DEEERN CCCN[C@]1(C#N)CC[C@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093806729 193309440 /nfs/dbraw/zinc/30/94/40/193309440.db2.gz OCHXOZMXVNCLIT-IINYFYTJSA-N 0 0 302.407 2.259 10 30 DEEERN Cc1noc(C)c1[C@@H](C)NC(=O)c1csc(C#CCO)c1 ZINC000093975529 193333423 /nfs/dbraw/zinc/33/34/23/193333423.db2.gz BKUFOZOGRTXKFC-SECBINFHSA-N 0 0 304.371 2.188 10 30 DEEERN N#Cc1cccc(NC(=O)C[S@](=O)c2cccc(F)c2)c1 ZINC000094627055 193385511 /nfs/dbraw/zinc/38/55/11/193385511.db2.gz FSUXCALFVCURKM-OAQYLSRUSA-N 0 0 302.330 2.444 10 30 DEEERN C=CCN1C(=O)N=C(N)[C@@H]1c1ccc(OC)c(OC)c1Cl ZINC000094516424 193376894 /nfs/dbraw/zinc/37/68/94/193376894.db2.gz MZYMTKNRPKMJJB-NSHDSACASA-N 0 0 309.753 2.377 10 30 DEEERN CCn1cc(NC(=O)c2cc(C)c(C#CCCO)s2)cn1 ZINC000094533958 193377235 /nfs/dbraw/zinc/37/72/35/193377235.db2.gz WRXNNEODTWTVMY-UHFFFAOYSA-N 0 0 303.387 2.259 10 30 DEEERN Cc1cc(C(=O)NCCc2cscn2)sc1C#CCCO ZINC000094535439 193377423 /nfs/dbraw/zinc/37/74/23/193377423.db2.gz BQZITJXRQRVITL-UHFFFAOYSA-N 0 0 320.439 2.219 10 30 DEEERN Cc1cc(C(=O)N(C)Cc2ccncc2)sc1C#CCO ZINC000094533890 193377747 /nfs/dbraw/zinc/37/77/47/193377747.db2.gz GHKUVCWOQZSXTH-UHFFFAOYSA-N 0 0 300.383 2.068 10 30 DEEERN CS(=O)(=O)c1ccc(CNc2ccc(C#N)c(N)c2)cc1 ZINC000094590749 193381477 /nfs/dbraw/zinc/38/14/77/193381477.db2.gz WZZXBTDFPOMXJP-UHFFFAOYSA-N 0 0 301.371 2.156 10 30 DEEERN CC(C)(C)OC(=O)N1CCCCC[C@@H]1[C@H](C#N)S(C)(=O)=O ZINC000094711598 193392942 /nfs/dbraw/zinc/39/29/42/193392942.db2.gz IXIZOVPVMQHDSF-NEPJUHHUSA-N 0 0 316.423 2.103 10 30 DEEERN C=C(C)Cn1c(N(C)CCCCCO)nnc1[C@@]1(C)CCCO1 ZINC000453459510 245150530 /nfs/dbraw/zinc/15/05/30/245150530.db2.gz BZDWKGIVPFVEOH-QGZVFWFLSA-N 0 0 322.453 2.479 10 30 DEEERN Cc1cc(C#N)cc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c1 ZINC000453785207 245285053 /nfs/dbraw/zinc/28/50/53/245285053.db2.gz YLJWNSRNRLNZGT-UHFFFAOYSA-N 0 0 324.384 2.251 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H]2C2CC2)c1 ZINC000453837739 245321270 /nfs/dbraw/zinc/32/12/70/245321270.db2.gz CNMYRODTBWCQDN-HNNXBMFYSA-N 0 0 300.358 2.201 10 30 DEEERN C=C(C)CCNC(=O)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000453899828 245351189 /nfs/dbraw/zinc/35/11/89/245351189.db2.gz YSDPWEADHKSEPB-UHFFFAOYSA-N 0 0 317.389 2.302 10 30 DEEERN C=CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000265225420 204467333 /nfs/dbraw/zinc/46/73/33/204467333.db2.gz AEDCDKUHOXOCNZ-TZMCWYRMSA-N 0 0 304.415 2.283 10 30 DEEERN Cc1ccc(C#CCO)c(C(=O)N2C[C@@H](C)S[C@H](C)C2)c1 ZINC000161644088 197509107 /nfs/dbraw/zinc/50/91/07/197509107.db2.gz QBNWSCWZNRICFV-ZIAGYGMSSA-N 0 0 303.427 2.305 10 30 DEEERN N#Cc1cccc(S(=O)(=O)CCSc2ccncc2N)c1 ZINC000159895573 197371454 /nfs/dbraw/zinc/37/14/54/197371454.db2.gz RPBYAQXXXRZGJE-UHFFFAOYSA-N 0 0 319.411 2.101 10 30 DEEERN Cc1cc(C[C@H](C)NC(=O)NCc2ccc(C#N)c(F)c2)[nH]n1 ZINC000454708814 246084475 /nfs/dbraw/zinc/08/44/75/246084475.db2.gz MVPPMFAZBLNIIO-JTQLQIEISA-N 0 0 315.352 2.159 10 30 DEEERN C=CC[C@@H](CC)NC(=O)NCc1nn(C)cc1Br ZINC000454904855 246240369 /nfs/dbraw/zinc/24/03/69/246240369.db2.gz GDAHVPWSCUGQIC-SECBINFHSA-N 0 0 315.215 2.337 10 30 DEEERN COc1cccnc1CNC(=O)NCC1CCC(C#N)CC1 ZINC000454926573 246263038 /nfs/dbraw/zinc/26/30/38/246263038.db2.gz ZKEWBYKNFAUNMT-UHFFFAOYSA-N 0 0 302.378 2.219 10 30 DEEERN C=CCOc1ccc(CNC(=O)N[C@@H]2COCC2(C)C)cc1 ZINC000455058483 246356861 /nfs/dbraw/zinc/35/68/61/246356861.db2.gz YGPUOQHIQXCPBG-OAHLLOKOSA-N 0 0 304.390 2.476 10 30 DEEERN C=CCC[C@H](NC(=O)c1ncccc1OCC)C(=O)OCC ZINC000456634102 247330707 /nfs/dbraw/zinc/33/07/07/247330707.db2.gz WCTSIWYSNSPUEM-LBPRGKRZSA-N 0 0 306.362 2.108 10 30 DEEERN C=CCC[C@H](CO)NC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000456777615 247414328 /nfs/dbraw/zinc/41/43/28/247414328.db2.gz NHKLEFSWBQSROW-NVXWUHKLSA-N 0 0 316.401 2.405 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)N[C@H]1COc2c1ccc(C)c2C ZINC000458253514 248232445 /nfs/dbraw/zinc/23/24/45/248232445.db2.gz IGPCZSCBLQOEEG-ZFWWWQNUSA-N 0 0 304.390 2.363 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NCCC[C@H]1CCCC[C@H]1O ZINC000459042191 248570825 /nfs/dbraw/zinc/57/08/25/248570825.db2.gz MYGADSRREOLBDI-FPCVCCKLSA-N 0 0 310.438 2.351 10 30 DEEERN CC(C)(CC#N)CNC(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000459258811 248602643 /nfs/dbraw/zinc/60/26/43/248602643.db2.gz MMBBUUHTPGQGOA-LBPRGKRZSA-N 0 0 307.316 2.025 10 30 DEEERN CN1CCOc2ccc(NC(=O)c3cccc(C#N)c3)cc2C1=O ZINC000038708332 183007442 /nfs/dbraw/zinc/00/74/42/183007442.db2.gz ONQRYTBYHPJMRK-UHFFFAOYSA-N 0 0 321.336 2.275 10 30 DEEERN C=CCNC(=O)[C@H](C)NCc1cc(Br)ccc1F ZINC000041065362 183161916 /nfs/dbraw/zinc/16/19/16/183161916.db2.gz JBHMTDFHLUGIEH-VIFPVBQESA-N 0 0 315.186 2.369 10 30 DEEERN CCO[C@H]1CCCN(C(=O)c2ccc(C#CCCO)s2)C1 ZINC000042426642 183269657 /nfs/dbraw/zinc/26/96/57/183269657.db2.gz FMYQRHXYBZTBPJ-ZDUSSCGKSA-N 0 0 307.415 2.123 10 30 DEEERN CCCO[C@@H]1CCCN(C(=O)c2ccc(C#CCO)s2)C1 ZINC000042426631 183269805 /nfs/dbraw/zinc/26/98/05/183269805.db2.gz IXGZGMOYMOYLJU-CYBMUJFWSA-N 0 0 307.415 2.123 10 30 DEEERN CCN(CC(F)(F)F)C(=O)c1cc(C#CCO)ccc1F ZINC000042797458 183310761 /nfs/dbraw/zinc/31/07/61/183310761.db2.gz GKNZGDZPCKJMMS-UHFFFAOYSA-N 0 0 303.255 2.194 10 30 DEEERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C#N)cc1F ZINC000105587907 194113401 /nfs/dbraw/zinc/11/34/01/194113401.db2.gz IPYKSNVMGJTXEC-UHFFFAOYSA-N 0 0 314.276 2.239 10 30 DEEERN C[C@H](NC(=O)C1(C#N)CCOCC1)c1ccccc1-n1cccn1 ZINC000159515012 197360342 /nfs/dbraw/zinc/36/03/42/197360342.db2.gz AQVMEULBDSGAJW-AWEZNQCLSA-N 0 0 324.384 2.370 10 30 DEEERN O=C(NCc1ccc(Cl)cc1)c1cncc(C#CCO)c1 ZINC000049628439 183748381 /nfs/dbraw/zinc/74/83/81/183748381.db2.gz KEKPUAFIIPXNJG-UHFFFAOYSA-N 0 0 300.745 2.009 10 30 DEEERN C#CCN[C@@H](C(=O)OCC)c1ccc(OC)c(OC)c1Cl ZINC000110830662 194362393 /nfs/dbraw/zinc/36/23/93/194362393.db2.gz NFWLAFZICNSSNV-CYBMUJFWSA-N 0 0 311.765 2.184 10 30 DEEERN CCN(CC)C(=O)N1CCC(C(=O)NC2(C#N)CCCC2)CC1 ZINC000060641997 184153552 /nfs/dbraw/zinc/15/35/52/184153552.db2.gz AAHGWRXWGQFUEH-UHFFFAOYSA-N 0 0 320.437 2.113 10 30 DEEERN Cc1ccc(N)cc1S(=O)(=O)N(C)c1ccc(C#N)cc1 ZINC000061957795 184198977 /nfs/dbraw/zinc/19/89/77/184198977.db2.gz DUTNIIPSZJBVKY-UHFFFAOYSA-N 0 0 301.371 2.274 10 30 DEEERN CCN(c1cccc(N)c1)S(=O)(=O)c1ccccc1C#N ZINC000063107826 184271048 /nfs/dbraw/zinc/27/10/48/184271048.db2.gz LELLTINYYXXEGH-UHFFFAOYSA-N 0 0 301.371 2.356 10 30 DEEERN CC(C)N[C@@](C)(C#N)CSc1ccc(S(C)(=O)=O)cc1 ZINC000063131808 184272318 /nfs/dbraw/zinc/27/23/18/184272318.db2.gz FURAYHMEUGBKCZ-AWEZNQCLSA-N 0 0 312.460 2.462 10 30 DEEERN C=CC[C@H](C)NC(=O)NCc1c(OC)cc(OC)cc1OC ZINC000116942936 194786341 /nfs/dbraw/zinc/78/63/41/194786341.db2.gz BQTODRLSFNPTSV-NSHDSACASA-N 0 0 308.378 2.476 10 30 DEEERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(F)cc2C#N)C1 ZINC000328618108 532968837 /nfs/dbraw/zinc/96/88/37/532968837.db2.gz DJPVZQARUCINHM-HUUCEWRRSA-N 0 0 316.336 2.351 10 30 DEEERN CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)N[C@H]4CC[C@@H](CC#N)C4)[C@H]1[C@H]3C2 ZINC000334077550 532984030 /nfs/dbraw/zinc/98/40/30/532984030.db2.gz KDMJMQSEIDQCHG-UJPZEKGNSA-N 0 0 303.406 2.134 10 30 DEEERN CCCN(Cc1ccc(C)cc1)C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000538404018 285033936 /nfs/dbraw/zinc/03/39/36/285033936.db2.gz NUOIOQVJZLGNCJ-CQSZACIVSA-N 0 0 311.389 2.458 10 30 DEEERN N#Cc1cc(CN2CCCN(c3cccnn3)CC2)ccc1F ZINC000119994192 195076042 /nfs/dbraw/zinc/07/60/42/195076042.db2.gz HNCXJXQPQHSPIA-UHFFFAOYSA-N 0 0 311.364 2.200 10 30 DEEERN CCOC(=O)C1CCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000158763377 197300253 /nfs/dbraw/zinc/30/02/53/197300253.db2.gz RUFOEGQBFODYEF-UHFFFAOYSA-N 0 0 300.358 2.282 10 30 DEEERN C[C@H]1SCCN(S(=O)(=O)Cc2ccccc2C#N)[C@@H]1C ZINC000158445235 197272901 /nfs/dbraw/zinc/27/29/01/197272901.db2.gz MGRXKONTALYROG-VXGBXAGGSA-N 0 0 310.444 2.214 10 30 DEEERN CC[C@H]1CN(S(=O)(=O)Cc2ccccc2C#N)CCS1 ZINC000158449403 197272730 /nfs/dbraw/zinc/27/27/30/197272730.db2.gz NUVHKUPRFUNMRP-AWEZNQCLSA-N 0 0 310.444 2.215 10 30 DEEERN CC[C@H]1CN(C(=O)c2cccc(C#CCO)c2C)CCS1 ZINC000157971615 197232052 /nfs/dbraw/zinc/23/20/52/197232052.db2.gz BKGQVXMFVDFAMM-HNNXBMFYSA-N 0 0 303.427 2.306 10 30 DEEERN N#CCCCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1 ZINC000157432878 197187454 /nfs/dbraw/zinc/18/74/54/197187454.db2.gz ALCYSSUUZGWPTD-UHFFFAOYSA-N 0 0 323.783 2.282 10 30 DEEERN CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1cscn1 ZINC000156860845 197145377 /nfs/dbraw/zinc/14/53/77/197145377.db2.gz RFJVSXGLTKRGGA-UHFFFAOYSA-N 0 0 301.371 2.489 10 30 DEEERN COc1cnccc1[C@@H](C)NS(=O)(=O)c1ccccc1C#N ZINC000189161253 533141722 /nfs/dbraw/zinc/14/17/22/533141722.db2.gz JEKIDTPAQTVJNE-LLVKDONJSA-N 0 0 317.370 2.001 10 30 DEEERN CN(Cc1cc(C#CCO)cs1)C(=O)[C@@H]1CCCCS1 ZINC000156273829 197100500 /nfs/dbraw/zinc/10/05/00/197100500.db2.gz LYSMDUQXGLVRRL-AWEZNQCLSA-N 0 0 309.456 2.336 10 30 DEEERN COC[C@@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000284974874 285303393 /nfs/dbraw/zinc/30/33/93/285303393.db2.gz KUNHVMLBOGXAKN-LBPRGKRZSA-N 0 0 305.334 2.097 10 30 DEEERN N#CC1(NC(=O)CCCNC(=O)c2ccsc2)CCCC1 ZINC000122020384 224608720 /nfs/dbraw/zinc/60/87/20/224608720.db2.gz YBTVXHBRHDKKJF-UHFFFAOYSA-N 0 0 305.403 2.211 10 30 DEEERN Cc1[nH]c2ccccc2c1CC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000370968635 533628449 /nfs/dbraw/zinc/62/84/49/533628449.db2.gz MRZVNMDEZNTRPR-OAHLLOKOSA-N 0 0 322.412 2.218 10 30 DEEERN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C#N)ccn1 ZINC000357430769 133077605 /nfs/dbraw/zinc/07/76/05/133077605.db2.gz YEXNKWFVXPTKQZ-UHFFFAOYSA-N 0 0 321.340 2.114 10 30 DEEERN N#Cc1ncccc1NCC(=O)N[C@H]1CCOc2ccccc21 ZINC000377998133 133353179 /nfs/dbraw/zinc/35/31/79/133353179.db2.gz ZSKFKRAKMHAASB-ZDUSSCGKSA-N 0 0 308.341 2.005 10 30 DEEERN C[C@@H]1CC[C@@H](CCC(=O)NCCOc2ccc(C#N)cc2)O1 ZINC000076210934 144568364 /nfs/dbraw/zinc/56/83/64/144568364.db2.gz DEXKIYGTHMSLCP-CJNGLKHVSA-N 0 0 302.374 2.401 10 30 DEEERN Cc1ccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c(C)n1 ZINC000130814202 144755535 /nfs/dbraw/zinc/75/55/35/144755535.db2.gz HIOPXUPNFYUWMI-UHFFFAOYSA-N 0 0 307.353 2.474 10 30 DEEERN N#Cc1ccsc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183677190 144932857 /nfs/dbraw/zinc/93/28/57/144932857.db2.gz ABVZUMYWVFUOHA-UHFFFAOYSA-N 0 0 320.337 2.324 10 30 DEEERN N#Cc1csc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC000183690422 144933375 /nfs/dbraw/zinc/93/33/75/144933375.db2.gz UHXJUZGZDUVWEO-UHFFFAOYSA-N 0 0 320.337 2.324 10 30 DEEERN CCN(CC(F)F)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000186450482 144982577 /nfs/dbraw/zinc/98/25/77/144982577.db2.gz KWXLGRUQTWODLU-UHFFFAOYSA-N 0 0 308.737 2.487 10 30 DEEERN COc1cccc(CS(=O)(=O)Cc2ccc(C#N)c(F)c2)n1 ZINC000190950064 145050299 /nfs/dbraw/zinc/05/02/99/145050299.db2.gz QTQLTSWMISGEAG-UHFFFAOYSA-N 0 0 320.345 2.216 10 30 DEEERN CC(C)c1nc(CS(=O)(=O)Cc2ccc(C#N)c(F)c2)no1 ZINC000190916227 145050628 /nfs/dbraw/zinc/05/06/28/145050628.db2.gz CBENDDIUIOCLAH-UHFFFAOYSA-N 0 0 323.349 2.319 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(F)cc1C#N ZINC000191182778 145054245 /nfs/dbraw/zinc/05/42/45/145054245.db2.gz SRHNGMJUSGEGNR-KCXAZCMYSA-N 0 0 302.349 2.471 10 30 DEEERN N#Cc1cc(C(=O)N2CCO[C@H](c3cccc(F)c3)C2)ccn1 ZINC000193112062 145081857 /nfs/dbraw/zinc/08/18/57/145081857.db2.gz DNWLKHFQOGRZNV-INIZCTEOSA-N 0 0 311.316 2.306 10 30 DEEERN N#Cc1cc(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)ccn1 ZINC000193323949 145085108 /nfs/dbraw/zinc/08/51/08/145085108.db2.gz QCWNEFULRIXGRH-MRXNPFEDSA-N 0 0 309.325 2.373 10 30 DEEERN N#Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)ccn1 ZINC000348242911 146239946 /nfs/dbraw/zinc/23/99/46/146239946.db2.gz LFSQJUMYQOZONS-HZPDHXFCSA-N 0 0 311.316 2.040 10 30 DEEERN CC(=O)N1CCN(Cc2ccc(C#N)cc2OC(F)F)[C@H](C)C1 ZINC000357299202 147082708 /nfs/dbraw/zinc/08/27/08/147082708.db2.gz HKXSDDPKQZCTKE-LLVKDONJSA-N 0 0 323.343 2.212 10 30 DEEERN CCOCc1nc([C@@H](C)NC(=O)c2cccc(F)c2C#N)no1 ZINC000359490977 147336837 /nfs/dbraw/zinc/33/68/37/147336837.db2.gz CAGTZEIWLGKPMO-SECBINFHSA-N 0 0 318.308 2.108 10 30 DEEERN Cn1nccc1[C@@H]1CCCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000374162831 148211732 /nfs/dbraw/zinc/21/17/32/148211732.db2.gz RNNJVCWVMBAFRH-KRWDZBQOSA-N 0 0 323.400 2.457 10 30 DEEERN CCCC(=O)NCC(=O)Nc1n[nH]c(-c2ccccc2F)n1 ZINC000076686894 401798512 /nfs/dbraw/zinc/79/85/12/401798512.db2.gz DXPLITWXMNCTDE-UHFFFAOYSA-N 0 0 305.313 2.115 10 30 DEEERN C=CC[C@@H](C)NC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000129217330 401800725 /nfs/dbraw/zinc/80/07/25/401800725.db2.gz RLEVKZZLKOCSGF-OLZOCXBDSA-N 0 0 314.389 2.049 10 30 DEEERN CN(CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000128116751 401763442 /nfs/dbraw/zinc/76/34/42/401763442.db2.gz LUJLGRHULLOPCW-UHFFFAOYSA-N 0 0 314.410 2.464 10 30 DEEERN CN(CCC(F)(F)F)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128539692 401782064 /nfs/dbraw/zinc/78/20/64/401782064.db2.gz DOSUOSZACVRZKY-UHFFFAOYSA-N 0 0 320.336 2.216 10 30 DEEERN CC[C@H]1C[C@H](C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CCO1 ZINC000130347625 401828187 /nfs/dbraw/zinc/82/81/87/401828187.db2.gz RSYRFXGJZZFUAF-CABCVRRESA-N 0 0 314.385 2.353 10 30 DEEERN C[C@@H](CN1CCOCC1)Nc1nc(C(F)(F)F)ccc1C#N ZINC000115515939 401830630 /nfs/dbraw/zinc/83/06/30/401830630.db2.gz XCRHKESGQLIQFV-JTQLQIEISA-N 0 0 314.311 2.105 10 30 DEEERN COC(=O)c1cc(N2CCC(C#N)CC2)cc(C)c1[N+](=O)[O-] ZINC000130459050 401832455 /nfs/dbraw/zinc/83/24/55/401832455.db2.gz FKWUVPVZZYJMAH-UHFFFAOYSA-N 0 0 303.318 2.430 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000078598864 401857174 /nfs/dbraw/zinc/85/71/74/401857174.db2.gz ZORWHUKDMUSDBT-GOEBONIOSA-N 0 0 316.401 2.232 10 30 DEEERN C=CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000116858790 401861909 /nfs/dbraw/zinc/86/19/09/401861909.db2.gz VWSLPERHBQGNQK-XGWLTEMNSA-N 0 0 316.401 2.295 10 30 DEEERN C=CC[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000116987944 401866719 /nfs/dbraw/zinc/86/67/19/401866719.db2.gz GHMHJXNRNZFODE-OCCSQVGLSA-N 0 0 302.374 2.078 10 30 DEEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000117076754 401868308 /nfs/dbraw/zinc/86/83/08/401868308.db2.gz IGOKYPPJMXPQMX-GFCCVEGCSA-N 0 0 317.389 2.300 10 30 DEEERN C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000117076751 401868367 /nfs/dbraw/zinc/86/83/67/401868367.db2.gz IGOKYPPJMXPQMX-LBPRGKRZSA-N 0 0 317.389 2.300 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000077386328 401813557 /nfs/dbraw/zinc/81/35/57/401813557.db2.gz ZHIWMWMBASZTDM-LSDHHAIUSA-N 0 0 320.414 2.199 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCC(C2OCCO2)CC1 ZINC000119091039 401925206 /nfs/dbraw/zinc/92/52/06/401925206.db2.gz ORBXKFHQCWFDLN-UHFFFAOYSA-N 0 0 300.358 2.092 10 30 DEEERN C=CCN(C)C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000119131376 401927799 /nfs/dbraw/zinc/92/77/99/401927799.db2.gz OQFYTYRZHNOGCO-CQSZACIVSA-N 0 0 303.406 2.491 10 30 DEEERN CCN(CCC#N)C(=O)CN(C)CCOc1ccc(C)cc1 ZINC000079905655 401883541 /nfs/dbraw/zinc/88/35/41/401883541.db2.gz KQJBCULSHCDSTJ-UHFFFAOYSA-N 0 0 303.406 2.068 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000134787874 401914174 /nfs/dbraw/zinc/91/41/74/401914174.db2.gz VPDUNTMOAWXCIS-OLZOCXBDSA-N 0 0 323.824 2.411 10 30 DEEERN C=CCNC(=O)CN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134829566 401916163 /nfs/dbraw/zinc/91/61/63/401916163.db2.gz DYZOPNZINQVGHI-OAHLLOKOSA-N 0 0 304.365 2.165 10 30 DEEERN C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C1CCOCC1 ZINC000135917065 401955323 /nfs/dbraw/zinc/95/53/23/401955323.db2.gz BQEMPMSJYAJFTD-OLZOCXBDSA-N 0 0 302.374 2.257 10 30 DEEERN C=CCN(CC=C)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000045278061 401956261 /nfs/dbraw/zinc/95/62/61/401956261.db2.gz COHAJEBXTFHMFL-CQSZACIVSA-N 0 0 320.414 2.289 10 30 DEEERN C=C(C)COCCNC(=O)COc1ccc(C(=O)CC)cc1 ZINC000136129547 401960656 /nfs/dbraw/zinc/96/06/56/401960656.db2.gz HMQROLXVUSFPQS-UHFFFAOYSA-N 0 0 305.374 2.367 10 30 DEEERN N#CCOc1cccc(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000089760094 401961331 /nfs/dbraw/zinc/96/13/31/401961331.db2.gz KFGZECGUYBUPJY-DLBZAZTESA-N 0 0 314.385 2.301 10 30 DEEERN CCOC(=O)CC[C@H](C)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000089803984 401964932 /nfs/dbraw/zinc/96/49/32/401964932.db2.gz MBHZUYACFUIXRP-STQMWFEESA-N 0 0 318.373 2.174 10 30 DEEERN CCOC(=O)CC[C@H](C)NC(=O)NCc1ccc(C#N)cc1F ZINC000089896803 401971491 /nfs/dbraw/zinc/97/14/91/401971491.db2.gz NSHHNNVHVRSQRG-NSHDSACASA-N 0 0 321.352 2.228 10 30 DEEERN N#Cc1ccccc1-c1ccc(CNC(=O)c2cn[nH]n2)cc1 ZINC000091101544 401993548 /nfs/dbraw/zinc/99/35/48/401993548.db2.gz UNKWZHXSGOUMIF-UHFFFAOYSA-N 0 0 303.325 2.273 10 30 DEEERN C[C@H](NC(=O)C1(C#N)CCCCC1)c1nnc2n1CCCC2 ZINC000135417922 401939028 /nfs/dbraw/zinc/93/90/28/401939028.db2.gz XTRGEVXDXWJJDH-LBPRGKRZSA-N 0 0 301.394 2.266 10 30 DEEERN C#CCOc1ccc(C(=O)N[C@@H]2CCCn3nc(CC)nc32)cc1 ZINC000151302495 402028460 /nfs/dbraw/zinc/02/84/60/402028460.db2.gz RUQGYHXITRENQV-OAHLLOKOSA-N 0 0 324.384 2.117 10 30 DEEERN C#CCOc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000151510540 402040280 /nfs/dbraw/zinc/04/02/80/402040280.db2.gz WJNUOAKHYYVUNA-APWZRJJASA-N 0 0 313.397 2.466 10 30 DEEERN CC(C)[C@](C)(C#N)NC(=O)CN1c2ccccc2SCC1=O ZINC000122302006 402071455 /nfs/dbraw/zinc/07/14/55/402071455.db2.gz GHKYXXKOTATTFQ-INIZCTEOSA-N 0 0 317.414 2.180 10 30 DEEERN C[C@@H]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000122849900 402097409 /nfs/dbraw/zinc/09/74/09/402097409.db2.gz UBALTOOTDNSEDZ-KGLIPLIRSA-N 0 0 306.431 2.310 10 30 DEEERN CCc1cnc(CCNS(=O)(=O)c2ccccc2C#N)s1 ZINC000122960577 402103493 /nfs/dbraw/zinc/10/34/93/402103493.db2.gz JABMCMSBZXUDIJ-UHFFFAOYSA-N 0 0 321.427 2.098 10 30 DEEERN CC(C)(C)OC(=O)c1ccc(Cn2c(N)nc(C#N)c2C#N)cc1 ZINC000152734274 402105899 /nfs/dbraw/zinc/10/58/99/402105899.db2.gz BVSBIQVFCFPLTI-UHFFFAOYSA-N 0 0 323.356 2.212 10 30 DEEERN CC[C@H](C#N)NC(=O)[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000123679737 402141233 /nfs/dbraw/zinc/14/12/33/402141233.db2.gz KJQYRRQXNLLSEU-UKRRQHHQSA-N 0 0 301.390 2.168 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000066311364 402130612 /nfs/dbraw/zinc/13/06/12/402130612.db2.gz ZLBSJMAWGQTJIS-GXTWGEPZSA-N 0 0 323.414 2.003 10 30 DEEERN COCc1nc2n(n1)CCC[C@H]2Nc1ncc(C#N)cc1Cl ZINC000153276736 402136321 /nfs/dbraw/zinc/13/63/21/402136321.db2.gz MGPWRALDACBDSI-LLVKDONJSA-N 0 0 318.768 2.292 10 30 DEEERN C#CCSCCNC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000153397071 402143110 /nfs/dbraw/zinc/14/31/10/402143110.db2.gz YIGZWEBHEMGYSW-LBPRGKRZSA-N 0 0 322.430 2.430 10 30 DEEERN CC[C@H](CSC)NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000153691592 402163214 /nfs/dbraw/zinc/16/32/14/402163214.db2.gz ZOQBIUOUOAZNCG-CYBMUJFWSA-N 0 0 319.430 2.472 10 30 DEEERN Cc1nn(C)c(C)c1CCNC(=O)Nc1ccc(CC#N)cc1 ZINC000125272735 402222953 /nfs/dbraw/zinc/22/29/53/402222953.db2.gz YWICDCGKFSQNTB-UHFFFAOYSA-N 0 0 311.389 2.467 10 30 DEEERN C=CCCCN(C)C(=O)NCCN1c2ccccc2CC1=O ZINC000125546498 402238542 /nfs/dbraw/zinc/23/85/42/402238542.db2.gz PHKNDDSFUPAQFA-UHFFFAOYSA-N 0 0 301.390 2.183 10 30 DEEERN C=CCOc1ccc(CN2CCN(c3cnn(C)c3)CC2)cc1 ZINC000126042503 402261534 /nfs/dbraw/zinc/26/15/34/402261534.db2.gz USPXVGAJXKLZSU-UHFFFAOYSA-N 0 0 312.417 2.307 10 30 DEEERN N#C[C@@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C1CC1 ZINC000108835885 402262576 /nfs/dbraw/zinc/26/25/76/402262576.db2.gz VHMMBQSXXWPOEM-JKSUJKDBSA-N 0 0 300.358 2.276 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)CN(C)CCc1ccccc1OC ZINC000104708722 402204840 /nfs/dbraw/zinc/20/48/40/402204840.db2.gz UDWIKMUFRGGPJR-OAHLLOKOSA-N 0 0 317.433 2.178 10 30 DEEERN CSCCC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000071059928 402269904 /nfs/dbraw/zinc/26/99/04/402269904.db2.gz HMVBSCKPDNIYGZ-OAHLLOKOSA-N 0 0 303.431 2.149 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](O)c1cc(OC)ccc1OC ZINC000184590102 402280542 /nfs/dbraw/zinc/28/05/42/402280542.db2.gz DNHAMWQAEMPOAT-SWLSCSKDSA-N 0 0 307.390 2.456 10 30 DEEERN C=C(C)CNC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000156385202 402281092 /nfs/dbraw/zinc/28/10/92/402281092.db2.gz DDAFRKJRWJJMAM-LBPRGKRZSA-N 0 0 313.195 2.358 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)CCc1nccs1 ZINC000156535854 402283817 /nfs/dbraw/zinc/28/38/17/402283817.db2.gz FRJYXBHJXFADRW-LBPRGKRZSA-N 0 0 315.398 2.483 10 30 DEEERN Cc1nc(C[C@@H]2CCCN(C(=O)C#Cc3ccccc3)C2)no1 ZINC000176220483 402291769 /nfs/dbraw/zinc/29/17/69/402291769.db2.gz QNIWAARZLFMOKD-INIZCTEOSA-N 0 0 309.369 2.211 10 30 DEEERN CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1(C)CCC1 ZINC000176348921 402301728 /nfs/dbraw/zinc/30/17/28/402301728.db2.gz JWGRGAOWWFUDGV-UHFFFAOYSA-N 0 0 315.373 2.202 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCc1nnc2n1CCCCC2 ZINC000160382018 402343463 /nfs/dbraw/zinc/34/34/63/402343463.db2.gz VHZXDOPLZXEZSA-UHFFFAOYSA-N 0 0 309.373 2.115 10 30 DEEERN Cc1sc(NC(=O)CN2[C@@H](C)COC[C@@H]2C)c(C#N)c1C ZINC000177288496 402388103 /nfs/dbraw/zinc/38/81/03/402388103.db2.gz UIPOKMXCVZWOJB-UWVGGRQHSA-N 0 0 307.419 2.284 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000185690636 402369945 /nfs/dbraw/zinc/36/99/45/402369945.db2.gz XAGQRBJYXRINSS-QWHCGFSZSA-N 0 0 318.200 2.470 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(C)nc2onc(C(C)C)c21 ZINC000185742420 402373099 /nfs/dbraw/zinc/37/30/99/402373099.db2.gz ZCGVKGQFGQBAMJ-LLVKDONJSA-N 0 0 303.362 2.321 10 30 DEEERN Cc1cc(N2CC[C@@H](Nc3cc(C#N)ccc3C)C2=O)n(C)n1 ZINC000177173128 402378656 /nfs/dbraw/zinc/37/86/56/402378656.db2.gz NDFFHFOHDOOSAZ-CQSZACIVSA-N 0 0 309.373 2.126 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000185818840 402379863 /nfs/dbraw/zinc/37/98/63/402379863.db2.gz BJQPSPOOJGOYSF-QGZVFWFLSA-N 0 0 313.401 2.215 10 30 DEEERN N#Cc1ccccc1OCc1cccc(C(=O)NC2(CO)CC2)c1 ZINC000160182002 402337697 /nfs/dbraw/zinc/33/76/97/402337697.db2.gz SZUDDPMNNSCXRI-UHFFFAOYSA-N 0 0 322.364 2.392 10 30 DEEERN Cc1cc(C[C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C#N)[nH]n1 ZINC000161654379 402394678 /nfs/dbraw/zinc/39/46/78/402394678.db2.gz YTZSIFDZVKDWQT-YPMHNXCESA-N 0 0 312.373 2.105 10 30 DEEERN C[C@@H](CCn1cccn1)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186013530 402396352 /nfs/dbraw/zinc/39/63/52/402396352.db2.gz KMUMZXHCDHFGBY-ZDUSSCGKSA-N 0 0 307.361 2.226 10 30 DEEERN Cc1ccc(C#N)c(N[C@H](C)Cn2ncc3ccccc3c2=O)n1 ZINC000162187647 402412448 /nfs/dbraw/zinc/41/24/48/402412448.db2.gz LIOJXOINQIGYOC-CYBMUJFWSA-N 0 0 319.368 2.472 10 30 DEEERN CC(C)(C)c1noc(CCC(=O)NC2(C#N)CCSCC2)n1 ZINC000162572560 402425073 /nfs/dbraw/zinc/42/50/73/402425073.db2.gz BLHCUGZGRWZWDF-UHFFFAOYSA-N 0 0 322.434 2.205 10 30 DEEERN C=CC[C@@H](C(=O)N1C[C@@H](C)O[C@H](C(=O)OC)C1)c1ccccc1 ZINC000186390690 402427505 /nfs/dbraw/zinc/42/75/05/402427505.db2.gz KDKACAJDXMWTGJ-BMFZPTHFSA-N 0 0 317.385 2.135 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@H]2CCCn3nc(C)nc32)cc1 ZINC000177731083 402430950 /nfs/dbraw/zinc/43/09/50/402430950.db2.gz RZMDSOXWJPPURH-HNNXBMFYSA-N 0 0 312.373 2.416 10 30 DEEERN C[C@H](NC(=O)Nc1ncccc1OCCCC#N)[C@H]1CCCO1 ZINC000186451785 402432134 /nfs/dbraw/zinc/43/21/34/402432134.db2.gz NYGCUEHJAYULPX-QWHCGFSZSA-N 0 0 318.377 2.453 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccnc(OC2CCCCC2)c1 ZINC000185951632 402392594 /nfs/dbraw/zinc/39/25/94/402392594.db2.gz CRFXULVNMMXHOL-CQSZACIVSA-N 0 0 304.390 2.460 10 30 DEEERN C#C[C@@H](C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)CC ZINC000185971259 402394198 /nfs/dbraw/zinc/39/41/98/402394198.db2.gz LFHKJGRFSUIQCH-LZWOXQAQSA-N 0 0 316.401 2.465 10 30 DEEERN COCCOc1ccc(C(=O)N[C@H](C#N)C2CC2)c(Cl)c1 ZINC000186673457 402454133 /nfs/dbraw/zinc/45/41/33/402454133.db2.gz JHPWHJZTMCEFCY-CQSZACIVSA-N 0 0 308.765 2.397 10 30 DEEERN N#Cc1ccc(CC(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000178081243 402458810 /nfs/dbraw/zinc/45/88/10/402458810.db2.gz OIYYQZZCQRSMGK-QGZVFWFLSA-N 0 0 307.353 2.176 10 30 DEEERN CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000186881416 402469294 /nfs/dbraw/zinc/46/92/94/402469294.db2.gz VHCPNZFJBZTCSC-VXGBXAGGSA-N 0 0 318.377 2.204 10 30 DEEERN C[C@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)[C@H]1C ZINC000245877752 402494216 /nfs/dbraw/zinc/49/42/16/402494216.db2.gz JZXRJCNJLCZXJT-KBPBESRZSA-N 0 0 306.431 2.452 10 30 DEEERN C[C@@H]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C ZINC000245955883 402500422 /nfs/dbraw/zinc/50/04/22/402500422.db2.gz UBALTOOTDNSEDZ-ZIAGYGMSSA-N 0 0 306.431 2.310 10 30 DEEERN CNC(=O)Cc1nc(COc2ccc(C#N)c(F)c2)cs1 ZINC000178519191 402506725 /nfs/dbraw/zinc/50/67/25/402506725.db2.gz MWEPGXQPVHGMFE-UHFFFAOYSA-N 0 0 305.334 2.021 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000189602232 402547452 /nfs/dbraw/zinc/54/74/52/402547452.db2.gz KRYBZPJLNMHHBQ-JYYAWHABSA-N 0 0 311.422 2.010 10 30 DEEERN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)C1CCCC1 ZINC000178859664 402548065 /nfs/dbraw/zinc/54/80/65/402548065.db2.gz JXBJGLKJCVNONG-JTQLQIEISA-N 0 0 303.337 2.331 10 30 DEEERN Cc1ccc(NCc2ccnc(N3CCOCC3)c2)nc1C#N ZINC000189644778 402549009 /nfs/dbraw/zinc/54/90/09/402549009.db2.gz ARQDEXFDVQCMIO-UHFFFAOYSA-N 0 0 309.373 2.105 10 30 DEEERN C=CCC[C@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)c1ccccc1 ZINC000189720257 402554769 /nfs/dbraw/zinc/55/47/69/402554769.db2.gz SSBCIRZWTQMWAY-ZBFHGGJFSA-N 0 0 321.442 2.382 10 30 DEEERN COC(=O)C1CCC(C(=O)N(CCC#N)CC(F)(F)F)CC1 ZINC000180229428 402610517 /nfs/dbraw/zinc/61/05/17/402610517.db2.gz INKHTMUIMGKKHB-UHFFFAOYSA-N 0 0 320.311 2.270 10 30 DEEERN C#CCCCCC(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000180451057 402616816 /nfs/dbraw/zinc/61/68/16/402616816.db2.gz GOTTVTVHRDUJSE-HOCLYGCPSA-N 0 0 302.418 2.182 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N(C)C[C@@H]2CCCO2)cc1 ZINC000171313638 402576975 /nfs/dbraw/zinc/57/69/75/402576975.db2.gz TYNDMSIPWISLHN-HNNXBMFYSA-N 0 0 317.389 2.245 10 30 DEEERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCCCCC#N)C2)n1 ZINC000172133859 402642218 /nfs/dbraw/zinc/64/22/18/402642218.db2.gz OBNBMORARXMGJY-HNNXBMFYSA-N 0 0 318.425 2.010 10 30 DEEERN N#CC1(c2ccc(C(=O)N[C@@H]3CCCC[C@H]3C(N)=O)cc2)CC1 ZINC000181767991 402656476 /nfs/dbraw/zinc/65/64/76/402656476.db2.gz OFFZKFGSRKWHGZ-HUUCEWRRSA-N 0 0 311.385 2.016 10 30 DEEERN CCOC1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 ZINC000173795240 402713072 /nfs/dbraw/zinc/71/30/72/402713072.db2.gz XGJVGLDJROCXNC-UHFFFAOYSA-N 0 0 317.389 2.148 10 30 DEEERN COc1cc(C=Nc2ccc(C(N)=O)cc2)ccc1OC(C)=O ZINC000254906139 402672326 /nfs/dbraw/zinc/67/23/26/402672326.db2.gz PVECMWRYTRPWNQ-UHFFFAOYSA-N 0 0 312.325 2.470 10 30 DEEERN C=CCN(CC=C)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172735039 402672438 /nfs/dbraw/zinc/67/24/38/402672438.db2.gz YHHONHPPRPOVFO-UHFFFAOYSA-N 0 0 313.401 2.134 10 30 DEEERN N#Cc1ccc(NC(=O)[C@H]2CCCN2c2nccs2)cc1C#N ZINC000173097246 402685561 /nfs/dbraw/zinc/68/55/61/402685561.db2.gz JZHMIEHJAAABHW-CQSZACIVSA-N 0 0 323.381 2.494 10 30 DEEERN C=CCNC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000173945089 402720777 /nfs/dbraw/zinc/72/07/77/402720777.db2.gz UGEJSEFNJJJOGE-YHWZYXNKSA-N 0 0 309.410 2.402 10 30 DEEERN COCCn1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cn1 ZINC000183109865 402739566 /nfs/dbraw/zinc/73/95/66/402739566.db2.gz ONMKOUKQGMTANA-UHFFFAOYSA-N 0 0 310.357 2.337 10 30 DEEERN COc1ccc(NC(=O)NCCOc2ccc(C#N)cc2)cn1 ZINC000175010019 402771449 /nfs/dbraw/zinc/77/14/49/402771449.db2.gz GYFNPDNQTRKGNF-UHFFFAOYSA-N 0 0 312.329 2.162 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccnn1-c1ccccc1C ZINC000183772205 402796733 /nfs/dbraw/zinc/79/67/33/402796733.db2.gz PLGYNWUBPNSYSZ-ZDUSSCGKSA-N 0 0 300.362 2.239 10 30 DEEERN CC[C@H](C)[C@@H](C)NC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000194463599 402798733 /nfs/dbraw/zinc/79/87/33/402798733.db2.gz MKYWKLUFUQIYDL-UONOGXRCSA-N 0 0 315.421 2.219 10 30 DEEERN O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@H]1CNC(=O)C1 ZINC000194786638 402816024 /nfs/dbraw/zinc/81/60/24/402816024.db2.gz AKELUZXIJZEXKV-MRXNPFEDSA-N 0 0 304.349 2.161 10 30 DEEERN C[C@H](NC(=O)c1ccnc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000195039708 402828305 /nfs/dbraw/zinc/82/83/05/402828305.db2.gz BZVFVZKUDPTRNG-NSHDSACASA-N 0 0 309.325 2.215 10 30 DEEERN Cc1nccn1C[C@H]1CCCN1C(=O)NCc1ccc(C#N)cc1 ZINC000175755071 402829208 /nfs/dbraw/zinc/82/92/08/402829208.db2.gz LCUBKGYEXGVPGT-QGZVFWFLSA-N 0 0 323.400 2.437 10 30 DEEERN Cc1nc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)ccc1C#N ZINC000184335752 402836637 /nfs/dbraw/zinc/83/66/37/402836637.db2.gz FUYHNZRABMSRGY-UHFFFAOYSA-N 0 0 318.336 2.037 10 30 DEEERN C=C1CCN(C(=O)CN2c3ccccc3SCC2=O)CC1 ZINC000264105778 402840269 /nfs/dbraw/zinc/84/02/69/402840269.db2.gz CLRMWMKQMCWFNP-UHFFFAOYSA-N 0 0 302.399 2.304 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000183635228 402783728 /nfs/dbraw/zinc/78/37/28/402783728.db2.gz KLAIYWBPJAHJQS-UKRRQHHQSA-N 0 0 314.389 2.170 10 30 DEEERN C=CCOCCCC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183676152 402788007 /nfs/dbraw/zinc/78/80/07/402788007.db2.gz SPDIYWNAYZBYIV-UHFFFAOYSA-N 0 0 311.345 2.060 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000175962847 402845149 /nfs/dbraw/zinc/84/51/49/402845149.db2.gz DXSSKDVWPGFXSD-INIZCTEOSA-N 0 0 313.332 2.250 10 30 DEEERN CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000264499590 402884525 /nfs/dbraw/zinc/88/45/25/402884525.db2.gz PVBFPSFSJUOUJO-HNNXBMFYSA-N 0 0 313.401 2.325 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)[C@@H](OC)c1ccc(OC)cc1 ZINC000273446407 403005801 /nfs/dbraw/zinc/00/58/01/403005801.db2.gz XEPUXCOFYCDABY-XNRPHZJLSA-N 0 0 322.405 2.007 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273553559 403014736 /nfs/dbraw/zinc/01/47/36/403014736.db2.gz XYACVIJCQDZSJX-BZUAXINKSA-N 0 0 322.380 2.282 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000280860062 403044144 /nfs/dbraw/zinc/04/41/44/403044144.db2.gz BKPTUXUSNOZSGE-DZGCQCFKSA-N 0 0 319.405 2.184 10 30 DEEERN C=CCn1c([C@@H](C)CC)nnc1N1CC[C@](O)(C(F)(F)F)C1 ZINC000282126337 403124805 /nfs/dbraw/zinc/12/48/05/403124805.db2.gz AIDCJMFZOHWXES-GXFFZTMASA-N 0 0 318.343 2.481 10 30 DEEERN C=CCn1c(C)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000282290176 403140562 /nfs/dbraw/zinc/14/05/62/403140562.db2.gz NTBYJEQQSJDBRD-ZDUSSCGKSA-N 0 0 314.393 2.417 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CCOC[C@H]1C ZINC000277454577 403219420 /nfs/dbraw/zinc/21/94/20/403219420.db2.gz MDJDJZPQBMMYQI-YPMHNXCESA-N 0 0 306.337 2.384 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1sc([C@@H]2CCCOC2)nc1C ZINC000345356765 403299894 /nfs/dbraw/zinc/29/98/94/403299894.db2.gz SGAHWWVTOGOLBR-QWHCGFSZSA-N 0 0 324.446 2.260 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cccc(CS(C)(=O)=O)c1C ZINC000277751988 403253316 /nfs/dbraw/zinc/25/33/16/403253316.db2.gz RRULLEAVXVHJEU-UHFFFAOYSA-N 0 0 317.410 2.141 10 30 DEEERN C#CCOc1ccc(CNC(=O)N[C@H]2CCC[C@@H](CO)C2)cc1 ZINC000298738856 403452059 /nfs/dbraw/zinc/45/20/59/403452059.db2.gz XVTLKCOKALXLJW-CVEARBPZSA-N 0 0 316.401 2.049 10 30 DEEERN C#CC[C@H](Cc1ccccc1)Nc1cnn(C)c(=O)c1Cl ZINC000286488677 403532559 /nfs/dbraw/zinc/53/25/59/403532559.db2.gz XDBJACCJGYLNMH-CYBMUJFWSA-N 0 0 301.777 2.480 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccc2ccccc2n1 ZINC000340044212 403533866 /nfs/dbraw/zinc/53/38/66/403533866.db2.gz YXNQLFWVXXOFJE-UHFFFAOYSA-N 0 0 311.385 2.276 10 30 DEEERN C=C(C)CNC(=O)N1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000345823944 403498772 /nfs/dbraw/zinc/49/87/72/403498772.db2.gz NNQSEADHRVXGMS-LLVKDONJSA-N 0 0 321.343 2.053 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1cscc1Br ZINC000346641875 403597282 /nfs/dbraw/zinc/59/72/82/403597282.db2.gz FIEMOEMQUWKOFE-SECBINFHSA-N 0 0 304.209 2.106 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)NCCc1cccc2[nH]ccc21 ZINC000287431602 403597969 /nfs/dbraw/zinc/59/79/69/403597969.db2.gz DUIHUKKRGQKIMS-UHFFFAOYSA-N 0 0 313.401 2.251 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCCC(=O)c1cccc(OC)c1 ZINC000346673268 403598542 /nfs/dbraw/zinc/59/85/42/403598542.db2.gz UNCZUIYSHSBQJI-CQSZACIVSA-N 0 0 305.374 2.101 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@H](CC)C1 ZINC000287435588 403599081 /nfs/dbraw/zinc/59/90/81/403599081.db2.gz PVAJLGJYZJGJTD-IAGOWNOFSA-N 0 0 300.402 2.441 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CO)CC1CCC1 ZINC000287308497 403572127 /nfs/dbraw/zinc/57/21/27/403572127.db2.gz JJOZBJZPVSAURY-ZWKOTPCHSA-N 0 0 314.429 2.471 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)OCCOCC ZINC000287314844 403573399 /nfs/dbraw/zinc/57/33/99/403573399.db2.gz LYDZBCOWZAXDNH-NVXWUHKLSA-N 0 0 303.402 2.179 10 30 DEEERN CCCNC(=O)C1CCN(c2cc(C)nc(C)c2C#N)CC1 ZINC000301771926 403676440 /nfs/dbraw/zinc/67/64/40/403676440.db2.gz JMDMRBQGXJNJBL-UHFFFAOYSA-N 0 0 300.406 2.313 10 30 DEEERN N#Cc1ccc(CNS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)cc1F ZINC000333160617 403682079 /nfs/dbraw/zinc/68/20/79/403682079.db2.gz LVYIIAMFMIYVTQ-GMXABZIVSA-N 0 0 308.378 2.305 10 30 DEEERN N#C[C@@H]1CN(c2ncncc2Cl)CCN1Cc1ccccc1 ZINC000302691305 403712797 /nfs/dbraw/zinc/71/27/97/403712797.db2.gz ZOGGIRVQTGWYGF-CQSZACIVSA-N 0 0 313.792 2.344 10 30 DEEERN C#CCN1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000302829259 403731600 /nfs/dbraw/zinc/73/16/00/403731600.db2.gz PAFTZRDRMHKWOR-UHFFFAOYSA-N 0 0 314.614 2.253 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@@H](C)Oc1ccccc1C ZINC000288256359 403744134 /nfs/dbraw/zinc/74/41/34/403744134.db2.gz VQJWSIOCTMYSLR-OAHLLOKOSA-N 0 0 318.417 2.303 10 30 DEEERN C#CCO[C@H](C)C(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000295107998 403762309 /nfs/dbraw/zinc/76/23/09/403762309.db2.gz UYHYXHYYZKOXCG-GFCCVEGCSA-N 0 0 323.339 2.125 10 30 DEEERN C=CCCC(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1 ZINC000347622827 403779464 /nfs/dbraw/zinc/77/94/64/403779464.db2.gz FWIOFXLUASMJFC-UHFFFAOYSA-N 0 0 302.374 2.372 10 30 DEEERN C=CCN1CC[C@@H](Sc2nc(C(F)(F)F)cc(=O)[nH]2)C1=O ZINC000347779562 403864996 /nfs/dbraw/zinc/86/49/96/403864996.db2.gz PLKNTKITYZFXRH-SSDOTTSWSA-N 0 0 319.308 2.080 10 30 DEEERN C=CCN(CCOC)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000361997778 403916011 /nfs/dbraw/zinc/91/60/11/403916011.db2.gz XIXLSTXUBDNLMY-KRWDZBQOSA-N 0 0 302.418 2.315 10 30 DEEERN C=C[C@H](C)NC(=O)N1CCc2cc(OC)c(OC)cc2CC1 ZINC000362379177 403950042 /nfs/dbraw/zinc/95/00/42/403950042.db2.gz IUHGHHFBIKJCBK-LBPRGKRZSA-N 0 0 304.390 2.389 10 30 DEEERN C=C[C@@H](C)NC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000362381332 403950422 /nfs/dbraw/zinc/95/04/22/403950422.db2.gz XDNBPOCRERQTRJ-ZIAGYGMSSA-N 0 0 303.406 2.395 10 30 DEEERN Cc1ncc(S(=O)(=O)N2CCC[C@H]3CCC[C@H]32)cc1C#N ZINC000313908796 403991957 /nfs/dbraw/zinc/99/19/57/403991957.db2.gz ACXPIQNROBWSME-IUODEOHRSA-N 0 0 305.403 2.215 10 30 DEEERN C=C[C@@](C)(O)CC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000289937331 404009827 /nfs/dbraw/zinc/00/98/27/404009827.db2.gz LHMRUDNLWAIEPT-GOSISDBHSA-N 0 0 316.401 2.147 10 30 DEEERN C=CCSc1ccccc1C(=O)NC[C@@]1(CCO)CCOC1 ZINC000362931485 404011343 /nfs/dbraw/zinc/01/13/43/404011343.db2.gz RCHFRQTXBGWOCM-QGZVFWFLSA-N 0 0 321.442 2.484 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000344263535 404016334 /nfs/dbraw/zinc/01/63/34/404016334.db2.gz CWWHSBSTZRUIGS-GXTWGEPZSA-N 0 0 322.453 2.491 10 30 DEEERN C=CCOC[C@H]1NC(=O)N(Cc2ccc(C3CC3)cc2)C1=O ZINC000348621790 404084250 /nfs/dbraw/zinc/08/42/50/404084250.db2.gz SFPQTYTZMHNBSI-OAHLLOKOSA-N 0 0 300.358 2.187 10 30 DEEERN CCc1nc(NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)sc1C ZINC000328608874 404114081 /nfs/dbraw/zinc/11/40/81/404114081.db2.gz MEMHQMKEWVUGQQ-CMPLNLGQSA-N 0 0 311.407 2.238 10 30 DEEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)NCc2ccccc2CO)cn1 ZINC000328624765 404117592 /nfs/dbraw/zinc/11/75/92/404117592.db2.gz KELFETKNRIYQGS-JKSUJKDBSA-N 0 0 315.373 2.147 10 30 DEEERN C[C@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328889126 404169293 /nfs/dbraw/zinc/16/92/93/404169293.db2.gz QPURLFBEJQRMKW-UFGOTCBOSA-N 0 0 308.403 2.390 10 30 DEEERN N#C[C@@H]1CN(Cc2cn3cc(Cl)ccc3n2)CCN1C1CC1 ZINC000363498080 404169799 /nfs/dbraw/zinc/16/97/99/404169799.db2.gz COWUAYBSIVSCPY-OAHLLOKOSA-N 0 0 315.808 2.160 10 30 DEEERN CO[C@H]1C[C@@H](C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)N(C)C1 ZINC000328894558 404171559 /nfs/dbraw/zinc/17/15/59/404171559.db2.gz AVWFLVNZRBKUPE-QAETUUGQSA-N 0 0 318.417 2.440 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCCC[C@@H]1CC ZINC000290462420 404178547 /nfs/dbraw/zinc/17/85/47/404178547.db2.gz SRHQDTJFGQPXFL-UONOGXRCSA-N 0 0 306.410 2.321 10 30 DEEERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000328984261 404189690 /nfs/dbraw/zinc/18/96/90/404189690.db2.gz SSHOKOFMPUVPCY-GVDBMIGSSA-N 0 0 315.417 2.052 10 30 DEEERN C[C@@H]1CCCC[C@H]1CNC(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000329116077 404234568 /nfs/dbraw/zinc/23/45/68/404234568.db2.gz ILFMRHRIXKZDLN-ILXRZTDVSA-N 0 0 305.426 2.483 10 30 DEEERN C=CCOc1ccc(CNC(=O)[C@H]2CC[C@@H](C(=O)OC)C2)cc1 ZINC000412327962 404248328 /nfs/dbraw/zinc/24/83/28/404248328.db2.gz AUWMHULGHGZYGJ-LSDHHAIUSA-N 0 0 317.385 2.457 10 30 DEEERN [O-]C(=[NH+]C[C@@H]1CCC(F)(F)C1)N1CCC[C@H]1Cn1ccnn1 ZINC000329163860 404251462 /nfs/dbraw/zinc/25/14/62/404251462.db2.gz GMGZALJUWXWYRZ-NEPJUHHUSA-N 0 0 313.352 2.092 10 30 DEEERN Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CCC[C@H]1C1CCC1 ZINC000329240276 404275683 /nfs/dbraw/zinc/27/56/83/404275683.db2.gz QWCDPMQSVOPHJH-KKUMJFAQSA-N 0 0 318.421 2.429 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)N(C)CCc1ncc(C)s1 ZINC000352316548 404286179 /nfs/dbraw/zinc/28/61/79/404286179.db2.gz VRUTUAYGBDEPLQ-LBPRGKRZSA-N 0 0 323.462 2.313 10 30 DEEERN [O-]C(=[NH+][C@@H]1C[C@@H]1c1cccc(F)c1)N1CCc2cncnc2C1 ZINC000329276557 404287676 /nfs/dbraw/zinc/28/76/76/404287676.db2.gz KLUBJJNHWKTGTF-HUUCEWRRSA-N 0 0 312.348 2.444 10 30 DEEERN O=C(N[C@H]1CCc2ccccc2C1=O)[C@H]1CCc2n[nH]nc2C1 ZINC000329089269 404225918 /nfs/dbraw/zinc/22/59/18/404225918.db2.gz ILBDKKLQGVLFCS-FZMZJTMJSA-N 0 0 310.357 2.064 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000355564893 404351114 /nfs/dbraw/zinc/35/11/14/404351114.db2.gz OQWDYXWHIKTPFP-WBVHZDCISA-N 0 0 307.365 2.361 10 30 DEEERN N#Cc1ccnc(N2CCC[C@@H](c3ncc4n3CCCC4)C2)n1 ZINC000296896750 404363973 /nfs/dbraw/zinc/36/39/73/404363973.db2.gz YQENZIMVHHLWRV-CYBMUJFWSA-N 0 0 308.389 2.265 10 30 DEEERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CCCSC1 ZINC000329523461 404365361 /nfs/dbraw/zinc/36/53/61/404365361.db2.gz PXTMIPPMHZPWBN-QWRGUYRKSA-N 0 0 310.423 2.359 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCOC[C@@H]1CC(F)F ZINC000355862201 404373421 /nfs/dbraw/zinc/37/34/21/404373421.db2.gz ODQVPTPVMHWJKA-DYEKYZERSA-N 0 0 318.364 2.033 10 30 DEEERN CC[C@H](C#N)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000344813917 404383808 /nfs/dbraw/zinc/38/38/08/404383808.db2.gz YRCJXPMKWHNLFV-TUVASFSCSA-N 0 0 313.405 2.032 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000356007232 404386400 /nfs/dbraw/zinc/38/64/00/404386400.db2.gz VGRVZIIWEPHGKT-QGZVFWFLSA-N 0 0 324.371 2.331 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1C[C@H](O)C2(CC2)C1 ZINC000364433106 404391395 /nfs/dbraw/zinc/39/13/95/404391395.db2.gz FZZUJEJRGHCVAY-HIFRSBDPSA-N 0 0 320.458 2.108 10 30 DEEERN Cc1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(F)cc1F ZINC000364447800 404400128 /nfs/dbraw/zinc/40/01/28/404400128.db2.gz ZNMGSULRMSCQLV-GFCCVEGCSA-N 0 0 305.328 2.086 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000342173969 404419290 /nfs/dbraw/zinc/41/92/90/404419290.db2.gz CUADPFPTQSJOAH-HEHGZKQESA-N 0 0 316.401 2.196 10 30 DEEERN Cc1cccc2c1OCC[C@H]2NC(=O)NC[C@@H]1CCC[C@H]1O ZINC000329918168 404495021 /nfs/dbraw/zinc/49/50/21/404495021.db2.gz FVJDEHPSTORHTN-NWANDNLSSA-N 0 0 304.390 2.483 10 30 DEEERN O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)N[C@@H]1CC=CCC1 ZINC000329917168 404495390 /nfs/dbraw/zinc/49/53/90/404495390.db2.gz QRBMXMQEHLZULW-MJBXVCDLSA-N 0 0 319.384 2.006 10 30 DEEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cn1 ZINC000329929436 404498729 /nfs/dbraw/zinc/49/87/29/404498729.db2.gz YUNXPLWHAYQLQC-FXUDXRNXSA-N 0 0 319.405 2.412 10 30 DEEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)cn1 ZINC000329929437 404499169 /nfs/dbraw/zinc/49/91/69/404499169.db2.gz YUNXPLWHAYQLQC-QKPAOTATSA-N 0 0 319.405 2.412 10 30 DEEERN C=C(C)CN(CC)c1nnc([C@@H]2COCCO2)n1CC(C)C ZINC000291620036 404451660 /nfs/dbraw/zinc/45/16/60/404451660.db2.gz RSBFDTGXGRPHAN-AWEZNQCLSA-N 0 0 308.426 2.424 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N(C)CC(=O)NC(C)(C)C ZINC000350742081 404458988 /nfs/dbraw/zinc/45/89/88/404458988.db2.gz UEAKQMNNWUQVCX-UHFFFAOYSA-N 0 0 321.469 2.404 10 30 DEEERN CCO[C@@H]1C[C@@H](NC(=O)N2CCc3cncnc3C2)C12CCC2 ZINC000329821742 404461849 /nfs/dbraw/zinc/46/18/49/404461849.db2.gz YSYJTWMLSIJVGR-HUUCEWRRSA-N 0 0 316.405 2.096 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@@]2(O)CCCC2(C)C)cc1 ZINC000297662355 404583473 /nfs/dbraw/zinc/58/34/73/404583473.db2.gz OLVUIHWAYHTZOP-SFHVURJKSA-N 0 0 300.402 2.408 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(c2ccc(F)c(C(=O)OC)c2C)C1=O ZINC000414363885 404595915 /nfs/dbraw/zinc/59/59/15/404595915.db2.gz YYBBUHYDNTWPMV-NSHDSACASA-N 0 0 320.320 2.312 10 30 DEEERN C=CCC[C@H]1NC(=O)N(c2ccc(OC)c(OC)c2OC)C1=O ZINC000414356395 404587978 /nfs/dbraw/zinc/58/79/78/404587978.db2.gz DRTASQHHAIRPTN-SNVBAGLBSA-N 0 0 320.345 2.103 10 30 DEEERN C#Cc1ccc(CNC(=O)N(C)C[C@@H](O)Cc2ccccc2)cc1 ZINC000297685234 404590595 /nfs/dbraw/zinc/59/05/95/404590595.db2.gz PZZBNQYWGHEZNN-IBGZPJMESA-N 0 0 322.408 2.413 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1c[nH]c(=O)cc1C ZINC000342366091 404534669 /nfs/dbraw/zinc/53/46/69/404534669.db2.gz IBYJVSOJYAICOB-UHFFFAOYSA-N 0 0 316.357 2.399 10 30 DEEERN Cc1noc(C)c1[C@H](C)CNC(=O)N1CCO[C@@H](C2CC2)C1 ZINC000330111061 404555544 /nfs/dbraw/zinc/55/55/44/404555544.db2.gz AUMSXNZLCNJCOI-QMTHXVAHSA-N 0 0 307.394 2.420 10 30 DEEERN C=CCn1c(COCC)nnc1N1CCO[C@@H](C2CCC2)C1 ZINC000414516331 404664828 /nfs/dbraw/zinc/66/48/28/404664828.db2.gz ORSYDSKORDZLNB-CQSZACIVSA-N 0 0 306.410 2.006 10 30 DEEERN CCc1csc(NC(=O)N2CCc3cc[nH]c(=O)c3C2)n1 ZINC000330240262 404597720 /nfs/dbraw/zinc/59/77/20/404597720.db2.gz FDIVPOJBCGAFHY-UHFFFAOYSA-N 0 0 304.375 2.410 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(F)cc2)C1=O ZINC000330316758 404625104 /nfs/dbraw/zinc/62/51/04/404625104.db2.gz QBFBSUQACIVXBL-RBSFLKMASA-N 0 0 318.348 2.479 10 30 DEEERN C=CCOc1ccc(CN2CCO[C@@H]([C@H](C)O)C2)cc1Cl ZINC000414561823 404681955 /nfs/dbraw/zinc/68/19/55/404681955.db2.gz AGHDHGFZWUYGAX-BLLLJJGKSA-N 0 0 311.809 2.486 10 30 DEEERN N#CC1(c2ccccn2)CCN(C(=O)c2cccc(O)c2)CC1 ZINC000374309667 404704017 /nfs/dbraw/zinc/70/40/17/404704017.db2.gz HXBQXJCLTICSKA-UHFFFAOYSA-N 0 0 307.353 2.485 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc2cc[nH]c2n1 ZINC000358090274 404752861 /nfs/dbraw/zinc/75/28/61/404752861.db2.gz ITSYMZKWJIWCOP-DZGCQCFKSA-N 0 0 314.389 2.343 10 30 DEEERN C=CCNC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000358274696 404757974 /nfs/dbraw/zinc/75/79/74/404757974.db2.gz MMFSHWPAXJVBIS-UHFFFAOYSA-N 0 0 319.224 2.201 10 30 DEEERN CCC(CC)N1C[C@@H](C(=O)N2CCC(C)(C#N)CC2)CC1=O ZINC000356983862 404723567 /nfs/dbraw/zinc/72/35/67/404723567.db2.gz WQKRLBGVNNYTLC-ZDUSSCGKSA-N 0 0 305.422 2.176 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N(CCOC)[C@H]1CCOC1 ZINC000358808033 404775825 /nfs/dbraw/zinc/77/58/25/404775825.db2.gz QYQYRRXAFXUNPY-AWEZNQCLSA-N 0 0 308.426 2.219 10 30 DEEERN C=C(C)Cn1c(N2C[C@H](C(N)=O)CC[C@@H]2C)nnc1C(C)(C)C ZINC000358801290 404776213 /nfs/dbraw/zinc/77/62/13/404776213.db2.gz CHHBKZPOECPRNS-QWHCGFSZSA-N 0 0 319.453 2.242 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000359118251 404784276 /nfs/dbraw/zinc/78/42/76/404784276.db2.gz UWEXHFJOIZGXKC-LSDHHAIUSA-N 0 0 322.449 2.313 10 30 DEEERN C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@H](C(N)=O)CC[C@H]1C ZINC000359257101 404788263 /nfs/dbraw/zinc/78/82/63/404788263.db2.gz UZKFTUUFWMQMLM-MGPQQGTHSA-N 0 0 319.453 2.458 10 30 DEEERN C=CCN(CCC#N)C(=O)CCc1nc2ccccc2oc1=O ZINC000359438796 404793761 /nfs/dbraw/zinc/79/37/61/404793761.db2.gz WCVXLUVLDGHUHW-UHFFFAOYSA-N 0 0 311.341 2.049 10 30 DEEERN CC(C)c1ncc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 ZINC000366476593 404798482 /nfs/dbraw/zinc/79/84/82/404798482.db2.gz BVIKIHJNCYJQCQ-LBPRGKRZSA-N 0 0 304.419 2.079 10 30 DEEERN C=CC[C@H](CO)CNC(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000359890053 404807888 /nfs/dbraw/zinc/80/78/88/404807888.db2.gz OGGKJZZTTBINEU-UAGQMJEPSA-N 0 0 318.417 2.391 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000353480317 404842232 /nfs/dbraw/zinc/84/22/32/404842232.db2.gz BSVQEIDONFNGGB-HIFRSBDPSA-N 0 0 305.422 2.419 10 30 DEEERN C=CCOC[C@@H](NC1CC(c2ccccc2F)C1)C(=O)OC ZINC000361109164 404921529 /nfs/dbraw/zinc/92/15/29/404921529.db2.gz MHPCCEIHSHCLRK-SEEARECTSA-N 0 0 307.365 2.406 10 30 DEEERN CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccncc1C#N ZINC000367330805 405014599 /nfs/dbraw/zinc/01/45/99/405014599.db2.gz BKHOOODAXWKOGY-LJQANCHMSA-N 0 0 322.412 2.026 10 30 DEEERN N#Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1O ZINC000407963083 405078163 /nfs/dbraw/zinc/07/81/63/405078163.db2.gz OHUIMSANTPKPRB-BZUAXINKSA-N 0 0 314.385 2.420 10 30 DEEERN N#Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1O ZINC000407963080 405078180 /nfs/dbraw/zinc/07/81/80/405078180.db2.gz OHUIMSANTPKPRB-ARFHVFGLSA-N 0 0 314.385 2.420 10 30 DEEERN C=CCNC(=O)NC(=O)CN(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000361575208 405139515 /nfs/dbraw/zinc/13/95/15/405139515.db2.gz CCAYDNXJDHIKDF-MNOVXSKESA-N 0 0 321.343 2.051 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408305139 405167411 /nfs/dbraw/zinc/16/74/11/405167411.db2.gz HIGZSQWQJRPUGZ-NSHDSACASA-N 0 0 304.293 2.149 10 30 DEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000408357888 405184158 /nfs/dbraw/zinc/18/41/58/405184158.db2.gz COXQUCKSXUSJAY-ZWNOBZJWSA-N 0 0 301.321 2.132 10 30 DEEERN Cc1ncc(S(=O)(=O)N2C[C@@H](C)CCC[C@@H]2C)cc1C#N ZINC000408362952 405186450 /nfs/dbraw/zinc/18/64/50/405186450.db2.gz SGJGZCBKBSRRNK-RYUDHWBXSA-N 0 0 307.419 2.461 10 30 DEEERN C=CCC1(C(=O)N[C@H]2CC[C@@H](C(=O)OCC)C2)CCOCC1 ZINC000424840749 405193024 /nfs/dbraw/zinc/19/30/24/405193024.db2.gz SCYLPQQRXKEKKA-KGLIPLIRSA-N 0 0 309.406 2.207 10 30 DEEERN C=CCC1(C(=O)NC[C@@H](CCC)C(=O)OCC)CCOCC1 ZINC000424845109 405194917 /nfs/dbraw/zinc/19/49/17/405194917.db2.gz DALLRPLGKKRHLT-CQSZACIVSA-N 0 0 311.422 2.455 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](C)C[C@@H]3C)cc2C1=O ZINC000354403296 405196721 /nfs/dbraw/zinc/19/67/21/405196721.db2.gz OSMBUGTWQZOMNR-RYUDHWBXSA-N 0 0 312.369 2.339 10 30 DEEERN C=CCOCCNC(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000367950563 405201543 /nfs/dbraw/zinc/20/15/43/405201543.db2.gz GFXKYQNLHJKKDT-HZPDHXFCSA-N 0 0 304.390 2.409 10 30 DEEERN C[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[C@H]1O ZINC000408459734 405211843 /nfs/dbraw/zinc/21/18/43/405211843.db2.gz ZEOSBJFBYBDNMC-JOYOIKCWSA-N 0 0 323.190 2.164 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(OCC(F)F)ccn1 ZINC000424930235 405214445 /nfs/dbraw/zinc/21/44/45/405214445.db2.gz DOTBZSGSBSPROV-GWCFXTLKSA-N 0 0 312.316 2.046 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1=Cc2cccc(OC)c2OC1 ZINC000424931940 405215282 /nfs/dbraw/zinc/21/52/82/405215282.db2.gz LISUSYKZXGHCKO-ZFWWWQNUSA-N 0 0 315.369 2.178 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@](C)(O)CCC(C)C ZINC000438459812 405247480 /nfs/dbraw/zinc/24/74/80/405247480.db2.gz YYUQLJZBGIDOKZ-HLLBOEOZSA-N 0 0 312.454 2.454 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NC[C@H]1CC[C@@H](C)O1 ZINC000454110228 405298641 /nfs/dbraw/zinc/29/86/41/405298641.db2.gz FCUDDOGTDJFIMP-UKRRQHHQSA-N 0 0 316.401 2.427 10 30 DEEERN C=CCN1CC[C@H](N2CCC[C@H](C)[C@H]2C(=O)OC(C)(C)C)C1=O ZINC000425505148 405299566 /nfs/dbraw/zinc/29/95/66/405299566.db2.gz ARCSLJOESKLPKM-KKUMJFAQSA-N 0 0 322.449 2.216 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000425561944 405303835 /nfs/dbraw/zinc/30/38/35/405303835.db2.gz DOHUZEVDJDSJBD-ZJQBRPOHSA-N 0 0 300.349 2.264 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000633411582 405629843 /nfs/dbraw/zinc/62/98/43/405629843.db2.gz WRTUYOILOYKTEV-HZPDHXFCSA-N 0 0 323.481 2.483 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@H](CO)C[C@H](O)C(C)(C)C ZINC000633411840 405630126 /nfs/dbraw/zinc/63/01/26/405630126.db2.gz YUKGRIOVIKKKQP-KBPBESRZSA-N 0 0 314.470 2.436 10 30 DEEERN N#CC1CCC(CNC(=O)N[C@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000458749385 405570097 /nfs/dbraw/zinc/57/00/97/405570097.db2.gz ZUIDVTXHNIZGKX-YCUKKYJWSA-N 0 0 319.449 2.413 10 30 DEEERN C=C(C)CN(CC)C(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1n1cccn1 ZINC000458902141 405645607 /nfs/dbraw/zinc/64/56/07/405645607.db2.gz SMMHDCIWWBWQLM-RBSFLKMASA-N 0 0 306.410 2.209 10 30 DEEERN C=C(C)CCNC(=O)NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000459005731 405689246 /nfs/dbraw/zinc/68/92/46/405689246.db2.gz QRHFDQALRDPKMA-ZDUSSCGKSA-N 0 0 312.360 2.381 10 30 DEEERN C=CCC1(CNS(=O)(=O)c2cnc3n2CCC3)CCCC1 ZINC000582163276 405681397 /nfs/dbraw/zinc/68/13/97/405681397.db2.gz VNRZVNNDWPAQDG-UHFFFAOYSA-N 0 0 309.435 2.244 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@]1(C)CCN(C)C1=O ZINC000636029338 405692809 /nfs/dbraw/zinc/69/28/09/405692809.db2.gz WIRCGYHPPYCDIQ-CRAIPNDOSA-N 0 0 300.402 2.158 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N1CCC[C@@H](NC(=O)CCC)C1 ZINC000558994063 405714516 /nfs/dbraw/zinc/71/45/16/405714516.db2.gz LFJAIQJDQIGQBE-CQSZACIVSA-N 0 0 319.453 2.302 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2C[C@]2(C)OCC)cc1 ZINC000528928978 405743734 /nfs/dbraw/zinc/74/37/34/405743734.db2.gz NLAONBNTNGLVLU-PBHICJAKSA-N 0 0 317.389 2.291 10 30 DEEERN C=CCN(C(=O)Cc1ccc(-n2ccnc2)cc1)[C@@H](C)COC ZINC000633613358 405745357 /nfs/dbraw/zinc/74/53/57/405745357.db2.gz XHACTYHHARKRBK-HNNXBMFYSA-N 0 0 313.401 2.464 10 30 DEEERN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C#N)n2C)C12CCC2 ZINC000450138467 405752967 /nfs/dbraw/zinc/75/29/67/405752967.db2.gz AUCVVTQWFSHYSG-GJZGRUSLSA-N 0 0 301.390 2.316 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ncc2c(F)cccn21 ZINC000529246727 405753758 /nfs/dbraw/zinc/75/37/58/405753758.db2.gz NNQVTQAMBCXHSI-RISCZKNCSA-N 0 0 303.337 2.184 10 30 DEEERN C=CCN(CCc1ccco1)Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000638918759 405757598 /nfs/dbraw/zinc/75/75/98/405757598.db2.gz SYSXJRKUGVYNCT-HNNXBMFYSA-N 0 0 316.405 2.138 10 30 DEEERN C=CCOc1ccc(CC(=O)NCC[C@@H](C)[S@@](C)=O)cc1 ZINC000450153062 405759077 /nfs/dbraw/zinc/75/90/77/405759077.db2.gz SCTSBKOTBBFGJV-LRTDBIEQSA-N 0 0 309.431 2.067 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000459125034 405759810 /nfs/dbraw/zinc/75/98/10/405759810.db2.gz VUMWBGZLXVGZEB-KOLCDFICSA-N 0 0 314.307 2.327 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N(CC(C)(C)C(F)(F)CC)C1=O ZINC000530207495 405775513 /nfs/dbraw/zinc/77/55/13/405775513.db2.gz MAUPRTUZYXBCHF-JTQLQIEISA-N 0 0 304.337 2.181 10 30 DEEERN C=CCN(CCC#N)C(=O)Nc1ccc(CC(=O)OC)cc1 ZINC000432752525 405803664 /nfs/dbraw/zinc/80/36/64/405803664.db2.gz MLOKEJCXEILVSK-UHFFFAOYSA-N 0 0 301.346 2.336 10 30 DEEERN C=CCn1cc(C(=O)NCc2ccsc2C(F)(F)F)nn1 ZINC000633716810 405807251 /nfs/dbraw/zinc/80/72/51/405807251.db2.gz DOAITTMMZCLAMY-UHFFFAOYSA-N 0 0 316.308 2.474 10 30 DEEERN C=C[C@](C)(O)C(=O)NCc1ccc(Br)c(F)c1F ZINC000529876609 405770125 /nfs/dbraw/zinc/77/01/25/405770125.db2.gz MTBOHADPSKRFNI-LBPRGKRZSA-N 0 0 320.133 2.281 10 30 DEEERN Cc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1-n1cnnn1 ZINC000530908910 405879656 /nfs/dbraw/zinc/87/96/56/405879656.db2.gz AIGSALPZFLNOED-UHFFFAOYSA-N 0 0 318.340 2.024 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@]1(O)CCCC(C)(C)CC1 ZINC000633890497 405891644 /nfs/dbraw/zinc/89/16/44/405891644.db2.gz XPYDGRQATKNIIB-MAUKXSAKSA-N 0 0 324.465 2.295 10 30 DEEERN COCCN(Cc1ccccn1)C(=O)Cc1cccc(C#N)c1 ZINC000530668796 405842753 /nfs/dbraw/zinc/84/27/53/405842753.db2.gz GUJBQDXAOSUEQU-UHFFFAOYSA-N 0 0 309.369 2.171 10 30 DEEERN C=CCCC(C)(C)CNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000633963966 405933515 /nfs/dbraw/zinc/93/35/15/405933515.db2.gz YHSMBNDAOXGPOF-OKILXGFUSA-N 0 0 320.433 2.270 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@]2(C)OCCc3sccc32)C1=O ZINC000630980463 405950178 /nfs/dbraw/zinc/95/01/78/405950178.db2.gz AKBREKODSITBNX-BLLLJJGKSA-N 0 0 320.414 2.423 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCc2nn(C)c3ccccc23)C1=O ZINC000630979460 405950497 /nfs/dbraw/zinc/95/04/97/405950497.db2.gz SFMTXIBJQOLHGV-AWEZNQCLSA-N 0 0 312.373 2.002 10 30 DEEERN C=CCC1(C(=O)NCCc2ccc(OC)c(O)c2)CCOCC1 ZINC000636426536 405953572 /nfs/dbraw/zinc/95/35/72/405953572.db2.gz IMXBHPWYYOJHBG-UHFFFAOYSA-N 0 0 319.401 2.432 10 30 DEEERN CCOC(=O)[C@H]1CN(c2cc(Cl)ccc2C#N)CC12COC2 ZINC000450557968 405954566 /nfs/dbraw/zinc/95/45/66/405954566.db2.gz CBPGNBDRQBOSJX-CYBMUJFWSA-N 0 0 320.776 2.228 10 30 DEEERN C=CCOCC(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000464987653 406090102 /nfs/dbraw/zinc/09/01/02/406090102.db2.gz UKXVDOVWUQGSFF-LSDHHAIUSA-N 0 0 309.406 2.159 10 30 DEEERN C=CCn1c(C(=O)NC(C)C)nnc1N1CC2(CCC2)C[C@@H]1C ZINC000566883617 406091993 /nfs/dbraw/zinc/09/19/93/406091993.db2.gz HRBBQFGYDCUAQD-ZDUSSCGKSA-N 0 0 317.437 2.371 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC000632344752 406099930 /nfs/dbraw/zinc/09/99/30/406099930.db2.gz NXCUCCNLGWGUSF-AWEZNQCLSA-N 0 0 308.328 2.153 10 30 DEEERN C=C1CC(C)(C(=O)N2CCc3nnn(C4CC(C)C4)c3C2)C1 ZINC000634228780 406062921 /nfs/dbraw/zinc/06/29/21/406062921.db2.gz DWNBFIIHPLLKAD-UHFFFAOYSA-N 0 0 300.406 2.490 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)Cc1ccc(CC)cc1 ZINC000565417854 406072387 /nfs/dbraw/zinc/07/23/87/406072387.db2.gz BGYYIEGVYYXNHQ-HOTGVXAUSA-N 0 0 309.431 2.260 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@]1(COC)CCOC1 ZINC000460056097 406076999 /nfs/dbraw/zinc/07/69/99/406076999.db2.gz GYEVTKNHVPAZJU-SFHVURJKSA-N 0 0 314.385 2.126 10 30 DEEERN C=C(C)COCCNC(=O)CC1CCC(C(=O)OCC)CC1 ZINC000567917772 406161258 /nfs/dbraw/zinc/16/12/58/406161258.db2.gz DLEPPFIVSHYFAL-UHFFFAOYSA-N 0 0 311.422 2.455 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1ncon1 ZINC000479582960 406168492 /nfs/dbraw/zinc/16/84/92/406168492.db2.gz LFDXLYWLGFKIRL-BXUZGUMPSA-N 0 0 314.345 2.222 10 30 DEEERN C=C(C)COCCNC(=O)N[C@@H]1COc2cccc(C)c2C1 ZINC000636930121 406125705 /nfs/dbraw/zinc/12/57/05/406125705.db2.gz DTLKMNCDMBUKIV-AWEZNQCLSA-N 0 0 304.390 2.190 10 30 DEEERN C=CCNC(=O)c1ccc(N2CCC[C@@H]([C@H]3CCOC3)C2)nc1 ZINC000533499001 406148417 /nfs/dbraw/zinc/14/84/17/406148417.db2.gz SVZDUTVFNUYZHL-CVEARBPZSA-N 0 0 315.417 2.250 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCCC[C@H]1C[C@@H](C)O ZINC000632541159 406175529 /nfs/dbraw/zinc/17/55/29/406175529.db2.gz KAUIPWZGFZWZCC-CABCVRRESA-N 0 0 324.465 2.247 10 30 DEEERN C=C1CC(C)(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1 ZINC000632575036 406187846 /nfs/dbraw/zinc/18/78/46/406187846.db2.gz ZPVQPQFTQBBILV-UHFFFAOYSA-N 0 0 300.406 2.292 10 30 DEEERN C=CCn1c(SC[C@@H](O)CC2(O)CCC2)nnc1C1CC1 ZINC000634638053 406202527 /nfs/dbraw/zinc/20/25/27/406202527.db2.gz HOFLDOHRDPBXSW-LBPRGKRZSA-N 0 0 309.435 2.100 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCCC[C@@H](COC)C1 ZINC000632626055 406205986 /nfs/dbraw/zinc/20/59/86/406205986.db2.gz BLWMFKDPFQETQH-OAHLLOKOSA-N 0 0 324.465 2.370 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCc1nc(-c2ccccn2)n[nH]1 ZINC000637202998 406210813 /nfs/dbraw/zinc/21/08/13/406210813.db2.gz MWKRUZMLCAIFQF-UHFFFAOYSA-N 0 0 314.393 2.268 10 30 DEEERN CC(=O)c1ccc(S(=O)(=O)N(C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000632665183 406219775 /nfs/dbraw/zinc/21/97/75/406219775.db2.gz HAPMHCNUXFRQSM-HIFRSBDPSA-N 0 0 306.387 2.202 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1C[C@@H](OC)C12CCC2 ZINC000568624921 406219959 /nfs/dbraw/zinc/21/99/59/406219959.db2.gz XGGMVUJOQRNDHL-ZQDZILKHSA-N 0 0 308.422 2.177 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)NCC[C@@H](O)C(F)F ZINC000637223587 406220270 /nfs/dbraw/zinc/22/02/70/406220270.db2.gz LFZFLRRSXGWTSY-UONOGXRCSA-N 0 0 312.360 2.489 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](C)c1cnn(C(C)C)c1 ZINC000519767883 406250935 /nfs/dbraw/zinc/25/09/35/406250935.db2.gz DCILDRKXQBYDHE-CYBMUJFWSA-N 0 0 306.410 2.066 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC(N2CCCC2=O)CC1 ZINC000637319567 406256652 /nfs/dbraw/zinc/25/66/52/406256652.db2.gz FSGJZNYOMZEVAZ-UHFFFAOYSA-N 0 0 307.438 2.385 10 30 DEEERN C=CC(C)(C)CCNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000637324687 406258698 /nfs/dbraw/zinc/25/86/98/406258698.db2.gz XWIKRQFCBHZBDH-GJZGRUSLSA-N 0 0 324.465 2.456 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H](O)Cc1ccccc1 ZINC000487654487 406254044 /nfs/dbraw/zinc/25/40/44/406254044.db2.gz CNQJRLIKBBZMAM-RYRKJORJSA-N 0 0 303.402 2.078 10 30 DEEERN Cn1cc([C@@H](NC(=O)c2ccc(C#N)cc2)C(F)(F)F)cn1 ZINC000487780056 406262570 /nfs/dbraw/zinc/26/25/70/406262570.db2.gz WCHOIEXEYGLCAM-GFCCVEGCSA-N 0 0 308.263 2.325 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)C1 ZINC000637482639 406325030 /nfs/dbraw/zinc/32/50/30/406325030.db2.gz VDCZHLHTKKFZSW-BJJXKVORSA-N 0 0 317.389 2.225 10 30 DEEERN C=CCOc1ccccc1CN1CC(=O)N(CC(F)(F)F)C1 ZINC000488568548 406331999 /nfs/dbraw/zinc/33/19/99/406331999.db2.gz AVWGCQBYGKXHLB-UHFFFAOYSA-N 0 0 314.307 2.415 10 30 DEEERN C=C(C)Cn1c(N2CCC(CO)CC2)nnc1[C@@]1(C)CCCO1 ZINC000570042927 406337130 /nfs/dbraw/zinc/33/71/30/406337130.db2.gz QAXIFCBKQALCQD-QGZVFWFLSA-N 0 0 320.437 2.089 10 30 DEEERN C[C@@H](C(=O)Nc1ccc(F)cc1NC1CC1)n1cnc(C#N)n1 ZINC000545979742 406341752 /nfs/dbraw/zinc/34/17/52/406341752.db2.gz YWRHREJFSSQDFY-VIFPVBQESA-N 0 0 314.324 2.063 10 30 DEEERN N#Cc1cccc(/C=C/c2nc(-c3ccc(C(N)=O)nc3)no2)c1 ZINC000546384926 406355770 /nfs/dbraw/zinc/35/57/70/406355770.db2.gz VQGJXMUACLCMNZ-QPJJXVBHSA-N 0 0 317.308 2.273 10 30 DEEERN C=C[C@H]1CCCC[N@@H+]1CC(=O)NCCN1CCc2ccccc21 ZINC000489483755 406411378 /nfs/dbraw/zinc/41/13/78/406411378.db2.gz VWFREUXXYKDSAS-KRWDZBQOSA-N 0 0 313.445 2.206 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cnc(C2CC2)nc1 ZINC000635260842 406479055 /nfs/dbraw/zinc/47/90/55/406479055.db2.gz PHNYJXIPXCZBNB-UHFFFAOYSA-N 0 0 316.405 2.401 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cn2c(n1)CCC2 ZINC000570803854 406440708 /nfs/dbraw/zinc/44/07/08/406440708.db2.gz FCYHYMLSLRAIBJ-UHFFFAOYSA-N 0 0 315.373 2.133 10 30 DEEERN C=CCOCC(=O)NCc1ccc(Br)cc1OC ZINC000490009022 406445636 /nfs/dbraw/zinc/44/56/36/406445636.db2.gz FVEISGCQZWPGHF-UHFFFAOYSA-N 0 0 314.179 2.277 10 30 DEEERN C=CCOc1ccccc1C[N@H+]1CC[C@](COC)(C(=O)[O-])C1 ZINC000635317338 406498149 /nfs/dbraw/zinc/49/81/49/406498149.db2.gz HJHCNWOXFBYDND-KRWDZBQOSA-N 0 0 305.374 2.175 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000572395955 406661049 /nfs/dbraw/zinc/66/10/49/406661049.db2.gz RKOIPWZZKJKNGF-IREHDKGXSA-N 0 0 312.413 2.463 10 30 DEEERN CCOc1cc(C#N)c(I)cc1[N+](=O)[O-] ZINC000575670095 406817385 /nfs/dbraw/zinc/81/73/85/406817385.db2.gz DIAOCOSWXJGUIM-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN CCOC(=O)Cc1c(Br)cc(C#N)cc1[N+](=O)[O-] ZINC000575383457 406808181 /nfs/dbraw/zinc/80/81/81/406808181.db2.gz IVKJYHIGMCZQEX-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN COC(=O)Cc1c([N+](=O)[O-])ccc(C#N)c1OC(F)(F)F ZINC000575395601 406808662 /nfs/dbraw/zinc/80/86/62/406808662.db2.gz JGGQOIVGDRKDKG-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN COC(=O)Cc1cc([N+](=O)[O-])cc(OC(F)(F)F)c1C#N ZINC000575395597 406808933 /nfs/dbraw/zinc/80/89/33/406808933.db2.gz JDBPSDSLDMHGRI-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN CCOC(=O)Cc1c(C#N)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575388581 406809051 /nfs/dbraw/zinc/80/90/51/406809051.db2.gz YPNBZYZXMRARLA-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN COC(=O)Cc1c(C#N)cc([N+](=O)[O-])cc1OC(F)(F)F ZINC000575395781 406809177 /nfs/dbraw/zinc/80/91/77/406809177.db2.gz QJMKNSXLYMSIMY-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN N#CCc1c(I)ccc(F)c1[N+](=O)[O-] ZINC000575707099 406821395 /nfs/dbraw/zinc/82/13/95/406821395.db2.gz KHXZMPRQOGSKLI-UHFFFAOYSA-N 0 0 306.034 2.405 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1CCO[C@@H](C(C)C)C1 ZINC000575882535 406827485 /nfs/dbraw/zinc/82/74/85/406827485.db2.gz SETFQIAFAITDRT-XUWVNRHRSA-N 0 0 310.438 2.470 10 30 DEEERN C#CC[C@H](CC)NS(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000129169970 196025542 /nfs/dbraw/zinc/02/55/42/196025542.db2.gz OZJNBVNGVSZSQZ-VIFPVBQESA-N 0 0 304.774 2.142 10 30 DEEERN C#CC[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000129208043 196029553 /nfs/dbraw/zinc/02/95/53/196029553.db2.gz DBEJPOYLKBFAEM-SSDOTTSWSA-N 0 0 307.202 2.266 10 30 DEEERN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000129406177 196046161 /nfs/dbraw/zinc/04/61/61/196046161.db2.gz FTGMLXMIVUSTEE-CZUORRHYSA-N 0 0 302.374 2.101 10 30 DEEERN COC(=O)N[C@H]1CCN(c2ccc(Br)cc2C#N)C1 ZINC000131265596 196155488 /nfs/dbraw/zinc/15/54/88/196155488.db2.gz IDDXRVYIPQWZNV-NSHDSACASA-N 0 0 324.178 2.255 10 30 DEEERN Cc1cc(C#CCCO)cc(C(=O)N2CCSC[C@H]2C)c1 ZINC000131660967 196188882 /nfs/dbraw/zinc/18/88/82/196188882.db2.gz VFWSDYKQHXXDAH-CQSZACIVSA-N 0 0 303.427 2.306 10 30 DEEERN Cn1cc(C#N)c(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000131925827 196211117 /nfs/dbraw/zinc/21/11/17/196211117.db2.gz KQAZKUUMMLBVCN-UHFFFAOYSA-N 0 0 305.681 2.106 10 30 DEEERN C=CCNC(=O)[C@@H](C)Nc1ccc(Br)cc1C#N ZINC000132367110 196249985 /nfs/dbraw/zinc/24/99/85/196249985.db2.gz HHJWGFHADDECST-SECBINFHSA-N 0 0 308.179 2.423 10 30 DEEERN CC(C)Cc1nn([C@@]2(C)CCS(=O)(=O)C2)c(Cl)c1C#N ZINC000132446314 196256457 /nfs/dbraw/zinc/25/64/57/196256457.db2.gz DWTZECQRJHBTNL-ZDUSSCGKSA-N 0 0 315.826 2.140 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCOC2(C1)CCCCCC2 ZINC000132775549 196282564 /nfs/dbraw/zinc/28/25/64/196282564.db2.gz GADJHHCNIJKMIC-UHFFFAOYSA-N 0 0 301.390 2.462 10 30 DEEERN C=C(Br)CNC(=O)COc1ccc(C)cc1OC ZINC000133285660 196328041 /nfs/dbraw/zinc/32/80/41/196328041.db2.gz IYGSWNGFOPPGBH-UHFFFAOYSA-N 0 0 314.179 2.407 10 30 DEEERN C=CCCCN(C)C(=O)Nc1ccccc1OCCC(N)=O ZINC000133795470 196336629 /nfs/dbraw/zinc/33/66/29/196336629.db2.gz VYMODOGBKBBVKN-UHFFFAOYSA-N 0 0 305.378 2.371 10 30 DEEERN CSc1nnc(SCCC(=O)N(C)CCC#N)s1 ZINC000135571256 196488229 /nfs/dbraw/zinc/48/82/29/196488229.db2.gz IEANXGJAJBEMDO-UHFFFAOYSA-N 0 0 302.450 2.114 10 30 DEEERN C=C(C)COc1ccc(S(N)(=O)=O)c2ccc(Cl)nc12 ZINC000136828775 196553953 /nfs/dbraw/zinc/55/39/53/196553953.db2.gz WLOGIRVMHCOFDP-UHFFFAOYSA-N 0 0 312.778 2.491 10 30 DEEERN COCCCOC1CN(C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000136738644 224651705 /nfs/dbraw/zinc/65/17/05/224651705.db2.gz PRZFZHOCASTONC-UHFFFAOYSA-N 0 0 303.362 2.022 10 30 DEEERN Cc1nc(C#N)c(C#N)n1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000155304944 224682252 /nfs/dbraw/zinc/68/22/52/224682252.db2.gz VLKHFAPAUKQEOS-UHFFFAOYSA-N 0 0 306.304 2.308 10 30 DEEERN N#Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccn1 ZINC000192673124 225139763 /nfs/dbraw/zinc/13/97/63/225139763.db2.gz BLLKIFPIDRYGEJ-UHFFFAOYSA-N 0 0 306.369 2.483 10 30 DEEERN O=C(NCc1nnc2n1CCCC2)N1CC2(CCC2)[C@H]1C1CC1 ZINC000329732148 225923900 /nfs/dbraw/zinc/92/39/00/225923900.db2.gz QBEDWDOGKVBEST-OAHLLOKOSA-N 0 0 315.421 2.293 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000329209675 225850254 /nfs/dbraw/zinc/85/02/54/225850254.db2.gz YMTVANJOHYXOMU-CYUUQNCZSA-N 0 0 300.362 2.107 10 30 DEEERN CN(C)C(=O)C1(C(=O)NC[C@H]2Cc3ccccc3N(C)C2)CC1 ZINC000329264044 225857723 /nfs/dbraw/zinc/85/77/23/225857723.db2.gz BPVHKJRVXAERCB-CYBMUJFWSA-N 0 0 315.417 2.120 10 30 DEEERN C[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)c1ccc2c(c1)OCO2 ZINC000329851164 225937061 /nfs/dbraw/zinc/93/70/61/225937061.db2.gz QNSNNHORZOIFTE-CNXAATOLSA-N 0 0 319.357 2.484 10 30 DEEERN O=C(NCc1ccc2c(c1)COC2)N1CCO[C@H](C2CC2)C1 ZINC000330158228 225974379 /nfs/dbraw/zinc/97/43/79/225974379.db2.gz ZRIXHYLDOWKPSD-INIZCTEOSA-N 0 0 302.374 2.242 10 30 DEEERN N#C[C@@H]1COCCN1Cc1noc(-c2cccc(Cl)c2)n1 ZINC000363155796 226911881 /nfs/dbraw/zinc/91/18/81/226911881.db2.gz WRIUKEFCLCLCTQ-GFCCVEGCSA-N 0 0 304.737 2.114 10 30 DEEERN COCc1cccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 ZINC000369218727 227027830 /nfs/dbraw/zinc/02/78/30/227027830.db2.gz KUGRHHXUISVFCX-MRXNPFEDSA-N 0 0 314.389 2.037 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000408033151 227225996 /nfs/dbraw/zinc/22/59/96/227225996.db2.gz IIKFSNVQAMDRCT-SRVKXCTJSA-N 0 0 303.328 2.069 10 30 DEEERN COc1cc(NC(=O)Cc2cccc(C#N)c2)ccc1NC(N)=O ZINC000531641713 269771034 /nfs/dbraw/zinc/77/10/34/269771034.db2.gz WQJDCGGLJLNWHD-UHFFFAOYSA-N 0 0 324.340 2.239 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2nnc(C(C)(C)C)s2)C1 ZINC000627735342 421866230 /nfs/dbraw/zinc/86/62/30/421866230.db2.gz QYCJQSCMRCZIIV-JTQLQIEISA-N 0 0 322.434 2.199 10 30 DEEERN Cc1ccc(C[C@H](CO)NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000527301514 269918211 /nfs/dbraw/zinc/91/82/11/269918211.db2.gz YWGMXZNYNAPFBD-GOSISDBHSA-N 0 0 308.381 2.129 10 30 DEEERN Cc1cc(C#N)nc(NCCc2ccccc2Br)n1 ZINC000553009163 424877094 /nfs/dbraw/zinc/87/70/94/424877094.db2.gz DSPTXUNIHOTWRN-UHFFFAOYSA-N 0 0 317.190 3.074 10 30 DEEERN Cc1cc(C#N)nc(NCc2ccc(-n3ccnc3)c(F)c2)n1 ZINC000370459231 424878371 /nfs/dbraw/zinc/87/83/71/424878371.db2.gz GXTCTUGBVAZNBU-UHFFFAOYSA-N 0 0 308.320 2.594 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000597863779 425035215 /nfs/dbraw/zinc/03/52/15/425035215.db2.gz IHOROQXZAOTNIV-WCQYABFASA-N 0 0 318.377 2.896 10 30 DEEERN C=C(C)CN(CC)C(=O)Cn1cc(C#N)c2ccsc2c1=O ZINC000530124668 266809514 /nfs/dbraw/zinc/80/95/14/266809514.db2.gz HRKGZEUFYSSIBJ-UHFFFAOYSA-N 0 0 315.398 2.359 10 30 DEEERN N#Cc1cccc(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000530668641 268275303 /nfs/dbraw/zinc/27/53/03/268275303.db2.gz IESDNGRPLPEDRY-UHFFFAOYSA-N 0 0 309.325 2.368 10 30 DEEERN CC1(C)Oc2ccsc2[C@@H](Nc2cncc(C#N)n2)[C@@H]1O ZINC000333724520 268983504 /nfs/dbraw/zinc/98/35/04/268983504.db2.gz VDFSRAPDTXJUTJ-YPMHNXCESA-N 0 0 302.359 2.095 10 30 DEEERN N#Cc1cccc(CC(=O)N2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000527011918 269511602 /nfs/dbraw/zinc/51/16/02/269511602.db2.gz HOMWKYZEHOIBKC-GOSISDBHSA-N 0 0 321.380 2.313 10 30 DEEERN CN(C(=O)Cc1cccc(C#N)c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000527025895 269512061 /nfs/dbraw/zinc/51/20/61/269512061.db2.gz MKWJDIMGBBEJAH-KRWDZBQOSA-N 0 0 321.380 2.176 10 30 DEEERN CCOC(=O)[C@@H](C)N(C(=O)Cc1cccc(C#N)c1)C1CC1 ZINC000527058183 269513813 /nfs/dbraw/zinc/51/38/13/269513813.db2.gz HQBTWUGCLHBRQN-GFCCVEGCSA-N 0 0 300.358 2.043 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCCCCC1 ZINC000290998764 277788509 /nfs/dbraw/zinc/78/85/09/277788509.db2.gz LAXRAPYDKJYTRF-CQSZACIVSA-N 0 0 306.410 2.323 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000366238669 277828559 /nfs/dbraw/zinc/82/85/59/277828559.db2.gz FBCXTBYHWLULIX-HZPDHXFCSA-N 0 0 309.454 2.237 10 30 DEEERN C=CCCCS(=O)(=O)N1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000489127724 277830041 /nfs/dbraw/zinc/83/00/41/277830041.db2.gz JTBFHJULIZSZLW-IHRRRGAJSA-N 0 0 315.435 2.089 10 30 DEEERN C=C[C@@H](C)NC(=O)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000356223017 277896480 /nfs/dbraw/zinc/89/64/80/277896480.db2.gz MDVVSSARZGRMLG-CABCVRRESA-N 0 0 319.449 2.385 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000189046929 277918378 /nfs/dbraw/zinc/91/83/78/277918378.db2.gz NXWJTORNROZDAK-YVEFUNNKSA-N 0 0 307.438 2.313 10 30 DEEERN CC1(C#N)CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000374861570 278170809 /nfs/dbraw/zinc/17/08/09/278170809.db2.gz ZZMFGGVHNUVBMR-BFHYXJOUSA-N 0 0 303.406 2.279 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCCCN1CCc2ccccc21 ZINC000081611617 281606787 /nfs/dbraw/zinc/60/67/87/281606787.db2.gz WGRXBQCQSSOHOW-UHFFFAOYSA-N 0 0 308.385 2.079 10 30 DEEERN CC[C@H](NC(=O)NCCOc1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000126364698 281831839 /nfs/dbraw/zinc/83/18/39/281831839.db2.gz RBHPCRQVTAYEOS-HOTGVXAUSA-N 0 0 317.389 2.194 10 30 DEEERN CN1CCc2ccc(NC(=O)[C@@H]3[C@@H]4CCCO[C@H]34)cc2C1=O ZINC000329482351 290253472 /nfs/dbraw/zinc/25/34/72/290253472.db2.gz DSXXKRBSOKWEEQ-CFVMTHIKSA-N 0 0 300.358 2.328 10 30 DEEERN C[C@H]1C(=O)Nc2cc(C(=O)NC3(C#N)CCCC3)ccc2N1C ZINC000267352727 290314847 /nfs/dbraw/zinc/31/48/47/290314847.db2.gz FPDCWZWWZUBMRH-NSHDSACASA-N 0 0 312.373 2.030 10 30 DEEERN [O-]C(=[NH+][C@@H]1CCc2ncnn2C1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000329468780 295384781 /nfs/dbraw/zinc/38/47/81/295384781.db2.gz XCHRYCQKVSNEOW-VGVBULKLSA-N 0 0 315.421 2.017 10 30 DEEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000375707160 298275144 /nfs/dbraw/zinc/27/51/44/298275144.db2.gz XWBSXVIFFNXNDO-CABCVRRESA-N 0 0 311.451 2.287 10 30 DEEERN Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3COC[C@H](C2)O3)c(C)c1 ZINC000328760342 301778386 /nfs/dbraw/zinc/77/83/86/301778386.db2.gz XDNODRHDAJAZEM-SOUVJXGZSA-N 0 0 304.390 2.378 10 30 DEEERN N#C[C@@H]1N(C[C@H](O)CC(F)(F)F)CCC[C@@]12CCCCO2 ZINC000366074449 303164634 /nfs/dbraw/zinc/16/46/34/303164634.db2.gz ROXIYITZQZBOKK-AGIUHOORSA-N 0 0 306.328 2.227 10 30 DEEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000329750415 303511625 /nfs/dbraw/zinc/51/16/25/303511625.db2.gz ICKRSCDIIVGRBY-JZAWBGDQSA-N 0 0 322.449 2.483 10 30 DEEERN COC(=O)[C@@H](NCCOCC1CCC1)c1cccc(C#N)c1 ZINC000574495856 326159480 /nfs/dbraw/zinc/15/94/80/326159480.db2.gz XITMZZDBFQQIAS-INIZCTEOSA-N 0 0 302.374 2.179 10 30 DEEERN Cc1ccc2ncc(C#N)c(N3CCN(C4CC4)C(=O)C3)c2c1 ZINC000576288322 326282999 /nfs/dbraw/zinc/28/29/99/326282999.db2.gz KAPYGKZKNOAYOK-UHFFFAOYSA-N 0 0 306.369 2.226 10 30 DEEERN N#CC1CCN(C(=O)CN2CCOc3ccc(Cl)cc32)CC1 ZINC000174389915 332854392 /nfs/dbraw/zinc/85/43/92/332854392.db2.gz RNESYBHBNUQCOZ-UHFFFAOYSA-N 0 0 319.792 2.301 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](Cc1ccccc1OC)C(C)C ZINC000186382252 332925163 /nfs/dbraw/zinc/92/51/63/332925163.db2.gz VTRLITMZMVIVKX-HZPDHXFCSA-N 0 0 320.433 2.499 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000518296547 332008485 /nfs/dbraw/zinc/00/84/85/332008485.db2.gz JZHCMXHOQXLIDV-ABAIWWIYSA-N 0 0 301.346 2.381 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(OC)cc1Br ZINC000518475049 332061543 /nfs/dbraw/zinc/06/15/43/332061543.db2.gz HMGNLAXNALMSHH-SECBINFHSA-N 0 0 314.179 2.125 10 30 DEEERN C=CCC1(C(=O)NCCc2cn3c(n2)SCC3)CCOCC1 ZINC000573480979 332099115 /nfs/dbraw/zinc/09/91/15/332099115.db2.gz ZEOUOTHQVMJADR-UHFFFAOYSA-N 0 0 321.446 2.020 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)CCNS(C)(=O)=O ZINC000188062123 333021334 /nfs/dbraw/zinc/02/13/34/333021334.db2.gz ZLJFMNAKYDMQPR-UHFFFAOYSA-N 0 0 324.446 2.416 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccnc1N1CCCCC1 ZINC000562996207 333026037 /nfs/dbraw/zinc/02/60/37/333026037.db2.gz SIAVVKUVZIDTAX-HOCLYGCPSA-N 0 0 315.417 2.393 10 30 DEEERN C#CCCCC(=O)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000365228564 333399288 /nfs/dbraw/zinc/39/92/88/333399288.db2.gz GZGXEZVKOYCEMP-INIZCTEOSA-N 0 0 316.445 2.431 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NS(=O)(=O)[C@H]1CCO[C@@H](C)C1 ZINC000295959530 335138685 /nfs/dbraw/zinc/13/86/85/335138685.db2.gz JVLJDQSTGRRQSA-UAGQMJEPSA-N 0 0 321.442 2.108 10 30 DEEERN C=CCCCN(C)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000121056953 334340935 /nfs/dbraw/zinc/34/09/35/334340935.db2.gz OVQMQRBCGIVINW-UHFFFAOYSA-N 0 0 317.389 2.338 10 30 DEEERN C=CCCCCCN(C)C(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC000361489574 336758987 /nfs/dbraw/zinc/75/89/87/336758987.db2.gz IAOGGJZTDKBLAH-OAHLLOKOSA-N 0 0 324.465 2.465 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1COc2c(C)cccc2C1 ZINC000584407301 337319330 /nfs/dbraw/zinc/31/93/30/337319330.db2.gz GQENBSRRINAABR-JYJNAYRXSA-N 0 0 316.401 2.189 10 30 DEEERN O=[N+]([O-])c1ccccc1NN=CNNc1ccccc1[N+](=O)[O-] ZINC000584604129 337371330 /nfs/dbraw/zinc/37/13/30/337371330.db2.gz ONECYDIUGFOQOP-UHFFFAOYSA-N 0 0 316.277 2.475 10 30 DEEERN C=CCSCCNC(=O)CCc1cccc(C(=O)NC)c1 ZINC000162323997 337613770 /nfs/dbraw/zinc/61/37/70/337613770.db2.gz YSVDVBJWDJTKIG-UHFFFAOYSA-N 0 0 306.431 2.014 10 30 DEEERN N#C[C@@H](NC(=O)CCc1nc(-c2cccs2)no1)C1CC1 ZINC000108840400 337842485 /nfs/dbraw/zinc/84/24/85/337842485.db2.gz XUVKGCNZJDIODT-SNVBAGLBSA-N 0 0 302.359 2.149 10 30 DEEERN COC(=O)[C@H]1CC[C@H](C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000508378680 340243064 /nfs/dbraw/zinc/24/30/64/340243064.db2.gz YRTIWPCOCCBPTA-LTDGRNPRSA-N 0 0 306.406 2.412 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Cl)c(O)c(OC)c1 ZINC000516922588 340458767 /nfs/dbraw/zinc/45/87/67/340458767.db2.gz ITNHRMMHVCXWOG-CABZTGNLSA-N 0 0 311.765 2.375 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccccc1COC(C)C ZINC000540810026 340946662 /nfs/dbraw/zinc/94/66/62/340946662.db2.gz HTPXWBSUYZDDFO-MRXNPFEDSA-N 0 0 306.406 2.348 10 30 DEEERN COc1ccccc1OCCNC(=O)N1CCC(C)(C#N)CC1 ZINC000540942071 340952507 /nfs/dbraw/zinc/95/25/07/340952507.db2.gz KPHLKEJYLQGHFJ-UHFFFAOYSA-N 0 0 317.389 2.409 10 30 DEEERN COC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(C)C ZINC000542798201 341021053 /nfs/dbraw/zinc/02/10/53/341021053.db2.gz YACINZVWMKHRRM-MLGOLLRUSA-N 0 0 312.410 2.035 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1c(C)nc(C(C)C)nc1SC ZINC000545991310 341149920 /nfs/dbraw/zinc/14/99/20/341149920.db2.gz RXAJEXSZECGZIE-NSHDSACASA-N 0 0 309.435 2.297 10 30 DEEERN CCc1noc(C)c1NC(=O)C(=O)N(CCC#N)CCC(C)C ZINC000133224833 341164344 /nfs/dbraw/zinc/16/43/44/341164344.db2.gz WLQLIBWMRPSRJL-UHFFFAOYSA-N 0 0 320.393 2.272 10 30 DEEERN C=CCNS(=O)(=O)c1cccc(-c2nc([C@@H]3C[C@H]3C)no2)c1 ZINC000547188784 341200471 /nfs/dbraw/zinc/20/04/71/341200471.db2.gz BHPARZHIVIOJLQ-ZWNOBZJWSA-N 0 0 319.386 2.324 10 30 DEEERN C=CCCCN(C)C(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C ZINC000076650914 341211832 /nfs/dbraw/zinc/21/18/32/341211832.db2.gz MTYNYLQMNUDRQC-UHFFFAOYSA-N 0 0 314.389 2.177 10 30 DEEERN CC[C@@H](O)CN(CC(=O)N(CC)C[C@H](C)C#N)c1ccccc1 ZINC000245398875 341291133 /nfs/dbraw/zinc/29/11/33/341291133.db2.gz UVROOZISVIXEGE-NVXWUHKLSA-N 0 0 317.433 2.272 10 30 DEEERN C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1 ZINC000549481462 341295528 /nfs/dbraw/zinc/29/55/28/341295528.db2.gz IIHREURMVXACHK-UHFFFAOYSA-N 0 0 313.405 2.087 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N(C)C1CCOCC1 ZINC000564380431 341347097 /nfs/dbraw/zinc/34/70/97/341347097.db2.gz YIFVHIHFSQYZNB-UHFFFAOYSA-N 0 0 316.405 2.458 10 30 DEEERN C=CCNC(=O)CN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000249475411 341398057 /nfs/dbraw/zinc/39/80/57/341398057.db2.gz VKBIBOWVSBYINZ-KFWWJZLASA-N 0 0 322.449 2.263 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@](C)(O)C1CCCCC1 ZINC000564888361 341512413 /nfs/dbraw/zinc/51/24/13/341512413.db2.gz ZVHFBTJZAJTRRO-QRTARXTBSA-N 0 0 310.438 2.208 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc([S@](C)=O)c1 ZINC000565595915 341532223 /nfs/dbraw/zinc/53/22/23/341532223.db2.gz KCBCMBGELSCRGD-IOEWJQCESA-N 0 0 308.403 2.137 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(F)cc1N1CCOCC1 ZINC000566841411 341569656 /nfs/dbraw/zinc/56/96/56/341569656.db2.gz RBGGQGAGDCLGOU-CJNGLKHVSA-N 0 0 320.364 2.192 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@H]1CCc2c1cccc2O ZINC000568412860 341670615 /nfs/dbraw/zinc/67/06/15/341670615.db2.gz LXHSHIVOGBUOJN-HNNXBMFYSA-N 0 0 316.401 2.358 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCn1c(C)nc2ccccc21 ZINC000572835010 341705861 /nfs/dbraw/zinc/70/58/61/341705861.db2.gz LIXQZFYHMQYUKT-YOEHRIQHSA-N 0 0 313.401 2.442 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1C[C@@H](C)CC[C@H]1C ZINC000574608427 341763630 /nfs/dbraw/zinc/76/36/30/341763630.db2.gz UVKUFOMIGIELLV-NWDGAFQWSA-N 0 0 315.425 2.193 10 30 DEEERN Cc1cc(Cl)ccc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000371972069 533774645 /nfs/dbraw/zinc/77/46/45/533774645.db2.gz CCNLHVFJEULZEB-CQSZACIVSA-N 0 0 303.793 2.461 10 30 DEEERN CC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C(F)F ZINC000451624696 535806776 /nfs/dbraw/zinc/80/67/76/535806776.db2.gz AYEAHQXLDVPTHX-LLVKDONJSA-N 0 0 306.309 2.160 10 30 DEEERN Cc1ccc(-c2cc(C(=O)N3CCOC[C@@H]3C#N)[nH]n2)c(C)c1 ZINC000189893993 534172192 /nfs/dbraw/zinc/17/21/92/534172192.db2.gz AUFRQIGCXWLMCR-ZDUSSCGKSA-N 0 0 310.357 2.058 10 30 DEEERN C[C@@H](Cc1ccccc1F)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371708672 534250835 /nfs/dbraw/zinc/25/08/35/534250835.db2.gz HCQNTEHAZLEVIB-BBRMVZONSA-N 0 0 315.392 2.203 10 30 DEEERN C=CCn1c(N2CC[C@@H](COCC)C2)nnc1[C@@]1(C)CCCO1 ZINC000453442326 534442430 /nfs/dbraw/zinc/44/24/30/534442430.db2.gz PFTYFOCXNCEFRW-RHSMWYFYSA-N 0 0 320.437 2.353 10 30 DEEERN N#CC1CCN(C(=O)CN2c3ccccc3CCCC2=O)CC1 ZINC000408003942 534582100 /nfs/dbraw/zinc/58/21/00/534582100.db2.gz ZCYSIKQKGJJACW-UHFFFAOYSA-N 0 0 311.385 2.118 10 30 DEEERN N#CCCn1ccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000185770431 534657931 /nfs/dbraw/zinc/65/79/31/534657931.db2.gz APTUZEACCOWCQP-CYBMUJFWSA-N 0 0 313.365 2.279 10 30 DEEERN C=CCCCCNC(=O)N[C@@H]1C[C@@H](OCC)[C@H]1n1cccn1 ZINC000454809603 534685006 /nfs/dbraw/zinc/68/50/06/534685006.db2.gz JUFMVNHQGYIKDB-KFWWJZLASA-N 0 0 306.410 2.257 10 30 DEEERN C=CCC[C@@H](NC(=O)c1ncccc1OCC)C(=O)OCC ZINC000456634100 534795731 /nfs/dbraw/zinc/79/57/31/534795731.db2.gz WCTSIWYSNSPUEM-GFCCVEGCSA-N 0 0 306.362 2.108 10 30 DEEERN C=CCC[C@@H](NC(=O)c1sc2nccn2c1C)C(=O)OCC ZINC000456623684 534796958 /nfs/dbraw/zinc/79/69/58/534796958.db2.gz HIEQLKMUVDSCIA-LLVKDONJSA-N 0 0 321.402 2.332 10 30 DEEERN Cc1cnc(CCN(C)CC(=O)Nc2cccc(C#N)c2)s1 ZINC000157599273 525994013 /nfs/dbraw/zinc/99/40/13/525994013.db2.gz RCUVNKTXMVJTBO-UHFFFAOYSA-N 0 0 314.414 2.436 10 30 DEEERN C=CCN(CCOC)C(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000190460293 526286265 /nfs/dbraw/zinc/28/62/65/526286265.db2.gz IUXAKQBDHAPBQS-UHFFFAOYSA-N 0 0 307.438 2.359 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)c2cnn([C@H](C)CC)c2C)C1=O ZINC000337048898 526467924 /nfs/dbraw/zinc/46/79/24/526467924.db2.gz HXHPYHRZYMDIIF-IUODEOHRSA-N 0 0 318.421 2.021 10 30 DEEERN C=CCNC(=O)CN1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000247521779 526543003 /nfs/dbraw/zinc/54/30/03/526543003.db2.gz NLNZEECGWOBIQH-DOTOQJQBSA-N 0 0 302.418 2.367 10 30 DEEERN C=C(C)COCCNC(=O)C(=O)Nc1cc(CC)ccc1CC ZINC000161290419 526628002 /nfs/dbraw/zinc/62/80/02/526628002.db2.gz ZZWIKOSUNPOXHF-UHFFFAOYSA-N 0 0 318.417 2.459 10 30 DEEERN C=C(C)COCCNC(=O)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000187592843 526637908 /nfs/dbraw/zinc/63/79/08/526637908.db2.gz CCMAYEVQOSIOSV-HUUCEWRRSA-N 0 0 324.446 2.058 10 30 DEEERN C=CCNC(=O)c1cnc2ccc(Br)cc2c1O ZINC000341548768 526639227 /nfs/dbraw/zinc/63/92/27/526639227.db2.gz PUQNYEGYAMJFFM-UHFFFAOYSA-N 0 0 307.147 2.206 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000377211180 526671509 /nfs/dbraw/zinc/67/15/09/526671509.db2.gz CKXFQTWUSWOXLR-FQEVSTJZSA-N 0 0 309.409 2.202 10 30 DEEERN C#CCC(CC#C)C(=O)NC1CCN(c2ccccc2OC)CC1 ZINC000287436353 526673671 /nfs/dbraw/zinc/67/36/71/526673671.db2.gz SWEHFUJXCQWBCQ-UHFFFAOYSA-N 0 0 324.424 2.443 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000278913425 526674207 /nfs/dbraw/zinc/67/42/07/526674207.db2.gz QYLWMJQWCBSIIN-CXAGYDPISA-N 0 0 301.361 2.417 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCCN(C(=O)c2ccccn2)CC1 ZINC000373371400 526707002 /nfs/dbraw/zinc/70/70/02/526707002.db2.gz VKGASQWBRQQLQA-HNNXBMFYSA-N 0 0 315.417 2.358 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC ZINC000372003220 526709761 /nfs/dbraw/zinc/70/97/61/526709761.db2.gz MSHTUNFRZGNZOE-BBRMVZONSA-N 0 0 300.402 2.288 10 30 DEEERN C#CCCCNC(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000178877636 526714154 /nfs/dbraw/zinc/71/41/54/526714154.db2.gz CVSBNTPLJIANRL-AWEZNQCLSA-N 0 0 316.336 2.319 10 30 DEEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(C)Cc1cnn(C)c1 ZINC000338846694 526718374 /nfs/dbraw/zinc/71/83/74/526718374.db2.gz NWSPDLKTBIQALR-UHFFFAOYSA-N 0 0 312.377 2.484 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CC[S@@](=O)C(CC)(CC)C1 ZINC000338845517 526723474 /nfs/dbraw/zinc/72/34/74/526723474.db2.gz GQVZAYFSOIILKY-OAQYLSRUSA-N 0 0 310.467 2.290 10 30 DEEERN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC000338859263 526738053 /nfs/dbraw/zinc/73/80/53/526738053.db2.gz JLUSNSWDUDAEHU-HIFRSBDPSA-N 0 0 319.453 2.473 10 30 DEEERN C=C(C)[C@@H](CC(=O)N[C@H](C)Cc1c(C)nn(C)c1C)OCC ZINC000339359700 526750737 /nfs/dbraw/zinc/75/07/37/526750737.db2.gz JTAPQYKBVSEKNJ-MLGOLLRUSA-N 0 0 307.438 2.455 10 30 DEEERN C=CCOCCNC(=O)CCc1nnc(-c2ccsc2)o1 ZINC000371637034 526774181 /nfs/dbraw/zinc/77/41/81/526774181.db2.gz FVUBIMJHVZIBFI-UHFFFAOYSA-N 0 0 307.375 2.050 10 30 DEEERN C=CCOCCNC(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000369866856 526775294 /nfs/dbraw/zinc/77/52/94/526775294.db2.gz DGXOAPCOMIKTPK-CAOSSQGBSA-N 0 0 310.438 2.160 10 30 DEEERN C=CCOCCNC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000378598894 526776746 /nfs/dbraw/zinc/77/67/46/526776746.db2.gz WEWQROBJJWUEQG-ZBFHGGJFSA-N 0 0 304.390 2.361 10 30 DEEERN C=CCOCCNC(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000371651195 526777237 /nfs/dbraw/zinc/77/72/37/526777237.db2.gz OIKSFDAWQJQEKK-HNNXBMFYSA-N 0 0 308.353 2.111 10 30 DEEERN C=CCOCCNC(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000374830589 526778807 /nfs/dbraw/zinc/77/88/07/526778807.db2.gz ZFOFOWFYXLRQHF-BBRMVZONSA-N 0 0 322.380 2.500 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1snc(C)c1C#N ZINC000297465147 526779232 /nfs/dbraw/zinc/77/92/32/526779232.db2.gz QPCXOKVIFSUWPT-PWSUYJOCSA-N 0 0 306.391 2.426 10 30 DEEERN C=CCOCCNC(=O)Nc1ccccc1-c1noc(C)n1 ZINC000378543996 526780970 /nfs/dbraw/zinc/78/09/70/526780970.db2.gz LAQSRXOZEFIZMU-UHFFFAOYSA-N 0 0 302.334 2.369 10 30 DEEERN C=C(CC)CN1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000347482340 526853861 /nfs/dbraw/zinc/85/38/61/526853861.db2.gz UUAHZPQFSZOLSZ-CABCVRRESA-N 0 0 300.402 2.462 10 30 DEEERN C=CCOc1ccc(CN2C[C@@H](C)S(=O)(=O)[C@H](C)C2)cc1 ZINC000356526430 526873326 /nfs/dbraw/zinc/87/33/26/526873326.db2.gz NLEXCXMKKJSMJI-ZIAGYGMSSA-N 0 0 309.431 2.259 10 30 DEEERN C=C1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)CC1 ZINC000342087895 526897246 /nfs/dbraw/zinc/89/72/46/526897246.db2.gz BSPOMHXNASAPHT-HNNXBMFYSA-N 0 0 318.442 2.460 10 30 DEEERN C=CCOc1cccc(NS(=O)(=O)Cc2cc(C)on2)c1 ZINC000340969298 526921084 /nfs/dbraw/zinc/92/10/84/526921084.db2.gz LOINSBLLIZIJCJ-UHFFFAOYSA-N 0 0 308.359 2.490 10 30 DEEERN C=CCOc1ccccc1CN1CCS(=O)(=O)C[C@H](C)C1 ZINC000433027326 526934586 /nfs/dbraw/zinc/93/45/86/526934586.db2.gz UYEVRDPUGJKQFK-CQSZACIVSA-N 0 0 309.431 2.118 10 30 DEEERN C=CCOc1ccccc1CNC(=O)[C@H]1CC[C@@H](C(=O)OC)C1 ZINC000412114745 526947191 /nfs/dbraw/zinc/94/71/91/526947191.db2.gz YYWNPXNBSSPVLM-UONOGXRCSA-N 0 0 317.385 2.457 10 30 DEEERN C=CCSCCNC(=O)Nc1ccc(CC(=O)OC)cc1 ZINC000299309118 526996325 /nfs/dbraw/zinc/99/63/25/526996325.db2.gz IVMYSRHJTBYDAK-UHFFFAOYSA-N 0 0 308.403 2.443 10 30 DEEERN C#CCNC(=O)[C@@H](C)N1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246876324 527019192 /nfs/dbraw/zinc/01/91/92/527019192.db2.gz QGFWDIBJQAQRLQ-CJNGLKHVSA-N 0 0 316.376 2.001 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000334036087 527047782 /nfs/dbraw/zinc/04/77/82/527047782.db2.gz KNMNUKDXCPJQSC-KGLIPLIRSA-N 0 0 305.426 2.043 10 30 DEEERN C=CCC1(C(=O)N2C[C@H](C)O[C@]3(CCCOC3)C2)CCOCC1 ZINC000424840702 527050507 /nfs/dbraw/zinc/05/05/07/527050507.db2.gz RWEATGWJLDWOET-MAUKXSAKSA-N 0 0 323.433 2.156 10 30 DEEERN C=CCC1(C(=O)Nc2cccc(C(N)=O)c2OC)CCOCC1 ZINC000425568026 527060396 /nfs/dbraw/zinc/06/03/96/527060396.db2.gz 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/nfs/dbraw/zinc/17/24/38/527172438.db2.gz ZUSIFUUZRRATKG-UHFFFAOYSA-N 0 0 318.417 2.121 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](OC)C1CC1 ZINC000296756718 527172489 /nfs/dbraw/zinc/17/24/89/527172489.db2.gz YNRLDCKECCGVGO-SJORKVTESA-N 0 0 300.402 2.345 10 30 DEEERN C=CC[C@H](CO)CNC(=O)NCc1ccc(OCC)c(F)c1 ZINC000341802879 527173433 /nfs/dbraw/zinc/17/34/33/527173433.db2.gz SJTVHUJDAVXDMH-ZDUSSCGKSA-N 0 0 310.369 2.208 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000376298611 527174135 /nfs/dbraw/zinc/17/41/35/527174135.db2.gz CVXDAQAINWKYLO-IAGOWNOFSA-N 0 0 322.412 2.201 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000340340120 527175694 /nfs/dbraw/zinc/17/56/94/527175694.db2.gz YXYKSYPZSHPVIR-HUUCEWRRSA-N 0 0 310.438 2.123 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1cc(C)cc(Cl)n1 ZINC000288170231 527177248 /nfs/dbraw/zinc/17/72/48/527177248.db2.gz CGZDQKQBPXDWKJ-UHFFFAOYSA-N 0 0 309.797 2.084 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@H](C)N(C)c1ccccc1 ZINC000284554553 527177266 /nfs/dbraw/zinc/17/72/66/527177266.db2.gz MDTHSRBYVFNECU-HNNXBMFYSA-N 0 0 317.433 2.052 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cnc(CC(C)C)nc1 ZINC000351494443 527180226 /nfs/dbraw/zinc/18/02/26/527180226.db2.gz NQRZYDALKQLVAU-UHFFFAOYSA-N 0 0 304.394 2.038 10 30 DEEERN C=CCCCN(C)C(=O)CNC(=O)N1CCc2ccccc2C1 ZINC000076650554 527182117 /nfs/dbraw/zinc/18/21/17/527182117.db2.gz DBZNAFCQLPUYCL-UHFFFAOYSA-N 0 0 315.417 2.179 10 30 DEEERN C=CC[C@H](CO)CNS(=O)(=O)c1cccc2ccccc21 ZINC000341161456 527188387 /nfs/dbraw/zinc/18/83/87/527188387.db2.gz ANBRUJQGVDLYKL-ZDUSSCGKSA-N 0 0 305.399 2.303 10 30 DEEERN C=CCCCN1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000367866555 527201203 /nfs/dbraw/zinc/20/12/03/527201203.db2.gz SBRPCVFHNFBQHK-HUUCEWRRSA-N 0 0 300.402 2.462 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccc(OCC(F)F)cc1 ZINC000448374149 527209101 /nfs/dbraw/zinc/20/91/01/527209101.db2.gz JMDGBQRFOVJJJK-UHFFFAOYSA-N 0 0 312.316 2.351 10 30 DEEERN C=CCc1cc(C(=O)N2C[C@@H](O)CC[C@H]2C)cc(OC)c1OC ZINC000422012369 527232259 /nfs/dbraw/zinc/23/22/59/527232259.db2.gz QKGJFUYFEOEHMV-DOMZBBRYSA-N 0 0 319.401 2.418 10 30 DEEERN C=CCCCS(=O)(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000292634247 527239606 /nfs/dbraw/zinc/23/96/06/527239606.db2.gz PGHJIGQNHWGOOG-ZDUSSCGKSA-N 0 0 301.433 2.417 10 30 DEEERN C=CCc1ccc(OCC(=O)N2C[C@@H](O)CC[C@@H]2C)c(OC)c1 ZINC000422015821 527249176 /nfs/dbraw/zinc/24/91/76/527249176.db2.gz NQFPWBAEWBTNOA-ZFWWWQNUSA-N 0 0 319.401 2.174 10 30 DEEERN C=CCn1c(-c2ccc[nH]2)nnc1N1CCOC(C)(C)[C@H]1C ZINC000351071631 527269836 /nfs/dbraw/zinc/26/98/36/527269836.db2.gz FAITZEPZLKGKOK-GFCCVEGCSA-N 0 0 301.394 2.463 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000410439727 527297414 /nfs/dbraw/zinc/29/74/14/527297414.db2.gz BNQYHMMXBRURCJ-UHFFFAOYSA-N 0 0 318.417 2.305 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000410687700 527299834 /nfs/dbraw/zinc/29/98/34/527299834.db2.gz KYTAIPCXHOLBDB-HNNXBMFYSA-N 0 0 302.418 2.419 10 30 DEEERN C=CCn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1C(C)(C)C ZINC000282198300 527330182 /nfs/dbraw/zinc/33/01/82/527330182.db2.gz GVJSQSMPRDNYOD-GFCCVEGCSA-N 0 0 306.410 2.151 10 30 DEEERN C=CCCOCCNC(=O)C(=O)Nc1ccc2c(c1)CCCC2 ZINC000297432404 527344509 /nfs/dbraw/zinc/34/45/09/527344509.db2.gz PKIRZSJTBBGBOK-UHFFFAOYSA-N 0 0 316.401 2.213 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCC(c2nccc(C)n2)CC1 ZINC000371787535 527371742 /nfs/dbraw/zinc/37/17/42/527371742.db2.gz BXRRONBBTWDODM-AWEZNQCLSA-N 0 0 303.406 2.472 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000413869006 527432351 /nfs/dbraw/zinc/43/23/51/527432351.db2.gz HKTXAFWJYFMRMH-GJZGRUSLSA-N 0 0 321.396 2.031 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CC[C@H](n3cc(C)cn3)C2)cc1 ZINC000296591958 527435553 /nfs/dbraw/zinc/43/55/53/527435553.db2.gz GNZSTEHKJQPRAI-KRWDZBQOSA-N 0 0 308.385 2.329 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000190149766 527444164 /nfs/dbraw/zinc/44/41/64/527444164.db2.gz UQSNOJIFZBKADM-INIZCTEOSA-N 0 0 322.368 2.083 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)Oc1ccc(OC)cc1 ZINC000424934341 527496616 /nfs/dbraw/zinc/49/66/16/527496616.db2.gz UVPAPXVQTNTVME-XEZPLFJOSA-N 0 0 305.374 2.170 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N(C)C[C@@H]1CCCO1 ZINC000337534337 527497869 /nfs/dbraw/zinc/49/78/69/527497869.db2.gz FWPACDKWBNYTHO-HNNXBMFYSA-N 0 0 316.401 2.381 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCCOC1 ZINC000337523709 527504412 /nfs/dbraw/zinc/50/44/12/527504412.db2.gz WWCYRANFFHMSFQ-AWEZNQCLSA-N 0 0 302.374 2.039 10 30 DEEERN C=CCCn1cc(C(=O)Nc2cc(OC)cc(OC)c2C)nn1 ZINC000424817354 527528918 /nfs/dbraw/zinc/52/89/18/527528918.db2.gz DIGYVCXGHODCNF-UHFFFAOYSA-N 0 0 316.361 2.432 10 30 DEEERN C=CCN(C(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000362768682 527537191 /nfs/dbraw/zinc/53/71/91/527537191.db2.gz GHSFSNRBSAHJBF-AWEZNQCLSA-N 0 0 314.451 2.046 10 30 DEEERN C=CCN(CCC#N)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000359436886 527656800 /nfs/dbraw/zinc/65/68/00/527656800.db2.gz HRVANBBUZVBWEY-INIZCTEOSA-N 0 0 305.378 2.176 10 30 DEEERN CCCCN(CC#Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000192102264 528374748 /nfs/dbraw/zinc/37/47/48/528374748.db2.gz QNSSXUGSMOBESL-KRWDZBQOSA-N 0 0 305.443 2.327 10 30 DEEERN CCN(CCc1nccs1)C(=O)c1ccc(C#N)c(O)c1 ZINC000188725251 528606511 /nfs/dbraw/zinc/60/65/11/528606511.db2.gz MAJCYYBPOZPIPD-UHFFFAOYSA-N 0 0 301.371 2.425 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1nc(C(C)C)cs1 ZINC000193362670 528615305 /nfs/dbraw/zinc/61/53/05/528615305.db2.gz KNJOUMGGQGQNID-JTQLQIEISA-N 0 0 308.407 2.213 10 30 DEEERN CC(C)n1cnnc1CNC(=O)C[C@@H](C)N1CCCCC1=O ZINC000328751116 528631452 /nfs/dbraw/zinc/63/14/52/528631452.db2.gz MXYNDMSKIVMLHU-GFCCVEGCSA-N 0 0 307.398 2.107 10 30 DEEERN CCOc1cccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 ZINC000369217768 528668146 /nfs/dbraw/zinc/66/81/46/528668146.db2.gz BUEZOOKCGCNGOV-HNNXBMFYSA-N 0 0 314.389 2.289 10 30 DEEERN CC1(C#N)CCN(C(=O)NC[C@H]2COC3(CCCCC3)O2)CC1 ZINC000371640959 528836682 /nfs/dbraw/zinc/83/66/82/528836682.db2.gz BOZGQNLJKPFXEW-AWEZNQCLSA-N 0 0 321.421 2.397 10 30 DEEERN CC1(C#N)CCN(C(=O)[C@H]2CCCN2Cc2ccccn2)CC1 ZINC000371648795 528839157 /nfs/dbraw/zinc/83/91/57/528839157.db2.gz BTPZJNKLZOIUIF-MRXNPFEDSA-N 0 0 312.417 2.198 10 30 DEEERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188997241 529164571 /nfs/dbraw/zinc/16/45/71/529164571.db2.gz UKRGMUWJJGFMIL-QWHCGFSZSA-N 0 0 313.401 2.009 10 30 DEEERN CCSc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cn1 ZINC000370980956 529241277 /nfs/dbraw/zinc/24/12/77/529241277.db2.gz XGDLYYHPWICVRG-AWEZNQCLSA-N 0 0 316.430 2.006 10 30 DEEERN CC(C)(CC#N)CNC(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000458376023 534980909 /nfs/dbraw/zinc/98/09/09/534980909.db2.gz UNUGDBYMFLSJSY-AWEZNQCLSA-N 0 0 314.389 2.031 10 30 DEEERN CC1(C)CN(C(=O)c2cccc(F)c2C#N)C[C@]2(CCOC2)O1 ZINC000373619529 535350651 /nfs/dbraw/zinc/35/06/51/535350651.db2.gz SLNVIJSWZLUWIL-KRWDZBQOSA-N 0 0 318.348 2.107 10 30 DEEERN COC[C@](C)(NC(=O)CNc1ccc(C#N)cc1)C(F)(F)F ZINC000362202613 536632538 /nfs/dbraw/zinc/63/25/38/536632538.db2.gz IEFPSEXELQUOGO-ZDUSSCGKSA-N 0 0 315.295 2.054 10 30 DEEERN CC#CCNC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000187317941 622749884 /nfs/dbraw/zinc/74/98/84/622749884.db2.gz HJQOSVOXBSUVAV-QWHCGFSZSA-N 0 0 309.410 2.097 10 30 DEEERN C=C[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 ZINC000187615030 622852336 /nfs/dbraw/zinc/85/23/36/622852336.db2.gz QGTIGHQOJLYYNO-JTQLQIEISA-N 0 0 313.375 2.104 10 30 DEEERN C=C(CSc1nnc(-c2ccccc2F)n1N)C(=O)OCC ZINC000187664123 622896962 /nfs/dbraw/zinc/89/69/62/622896962.db2.gz RNMXKZHAHXHURT-UHFFFAOYSA-N 0 0 322.365 2.009 10 30 DEEERN CC1CCC(N2C[C@@H](C(=O)O[C@H](C#N)C3CC3)CC2=O)CC1 ZINC000177042227 625622410 /nfs/dbraw/zinc/62/24/10/625622410.db2.gz JUJOLTLZPBYIPH-KNZJIWTASA-N 0 0 304.390 2.259 10 30 DEEERN C#CC[C@H](Cc1ccccc1)Nc1ncnc(-n2cccn2)c1N ZINC000804808756 623250596 /nfs/dbraw/zinc/25/05/96/623250596.db2.gz XWOUJPUHUGOPCY-OAHLLOKOSA-N 0 0 318.384 2.291 10 30 DEEERN C#CCNC(=O)[C@@H](C)OC(=O)COc1cc(C(C)C)ccc1C ZINC000023623611 623316940 /nfs/dbraw/zinc/31/69/40/623316940.db2.gz CKRSLOVUVSPJOZ-CQSZACIVSA-N 0 0 317.385 2.178 10 30 DEEERN CC(=O)Nc1ccc(C(C)=NOC[C@H](O)COC(C)C)cc1 ZINC000255741844 625646895 /nfs/dbraw/zinc/64/68/95/625646895.db2.gz RGVUPSCQVIIVPJ-MRXNPFEDSA-N 0 0 308.378 2.172 10 30 DEEERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccc(C#N)cc2C)C1 ZINC000888077463 625056025 /nfs/dbraw/zinc/05/60/25/625056025.db2.gz CISQMGOWECZTLM-UKRRQHHQSA-N 0 0 310.357 2.192 10 30 DEEERN O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)[C@@H]1C[C@@H]1C1CC1 ZINC000328646535 625080149 /nfs/dbraw/zinc/08/01/49/625080149.db2.gz SQVXGPFXDKQSGR-IGQOVBAYSA-N 0 0 304.369 2.396 10 30 DEEERN CC(C)[C@@H](C#N)OC(=O)CN1c2ccccc2SCC1=O ZINC000176787260 625175808 /nfs/dbraw/zinc/17/58/08/625175808.db2.gz PKGZYZORRMTYPO-GFCCVEGCSA-N 0 0 304.371 2.217 10 30 DEEERN C#CCCCCC(=O)OC[C@@H]1CCCN1c1ccc(C)nn1 ZINC000180762990 625224178 /nfs/dbraw/zinc/22/41/78/625224178.db2.gz TWXHJJKFJYMOSB-HNNXBMFYSA-N 0 0 301.390 2.491 10 30 DEEERN C=CCn1c(C)nn(CN2CC[C@]3(O)CCCC[C@H]3C2)c1=S ZINC000247237089 625244298 /nfs/dbraw/zinc/24/42/98/625244298.db2.gz YSLKNTGAEUGMOR-GOEBONIOSA-N 0 0 322.478 2.493 10 30 DEEERN C#CC[C@H](OC(=O)CCOC[C@@H]1CCCO1)c1ccccn1 ZINC000733692962 633266315 /nfs/dbraw/zinc/26/63/15/633266315.db2.gz PPGJMPWSKBRNPF-HOCLYGCPSA-N 0 0 303.358 2.275 10 30 DEEERN C#Cc1ccc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)nc1 ZINC000733970403 633306358 /nfs/dbraw/zinc/30/63/58/633306358.db2.gz TWBSRXMADCCYNT-MRXNPFEDSA-N 0 0 307.353 2.284 10 30 DEEERN C=C(COC(=O)c1cc(=O)c2ccccc2o1)C(=O)OCC ZINC000734025432 633317734 /nfs/dbraw/zinc/31/77/34/633317734.db2.gz PVYKAJGWXGZGOS-UHFFFAOYSA-N 0 0 302.282 2.069 10 30 DEEERN CCOc1ccccc1CCC(=O)[C@H](C#N)C(=O)N1CCCC1 ZINC000124745260 633413799 /nfs/dbraw/zinc/41/37/99/633413799.db2.gz YYJDHGTZFFTTSY-HNNXBMFYSA-N 0 0 314.385 2.349 10 30 DEEERN CN(Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCCCNC1=O ZINC000735310234 633500816 /nfs/dbraw/zinc/50/08/16/633500816.db2.gz UWSZIRVSMSBRID-CQSZACIVSA-N 0 0 321.808 2.343 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)C[C@@H]1CCOc2ccccc21 ZINC000735546022 633518267 /nfs/dbraw/zinc/51/82/67/633518267.db2.gz ZLDWQTNTSNWEMP-STQMWFEESA-N 0 0 303.358 2.177 10 30 DEEERN C=CCCCN(C)C(=O)/C(=C\c1ccccc1)n1nnnc1C ZINC000736517493 633649468 /nfs/dbraw/zinc/64/94/68/633649468.db2.gz QDQCLFXHTWKCLE-DTQAZKPQSA-N 0 0 311.389 2.404 10 30 DEEERN CC(C)OCCCNC(=O)[C@H](C#N)C(=O)CSC(C)(C)C ZINC000125511304 633843739 /nfs/dbraw/zinc/84/37/39/633843739.db2.gz YXIWHBDCJOMADQ-GFCCVEGCSA-N 0 0 314.451 2.158 10 30 DEEERN C#CCOc1ccccc1[C@H](C)OC(=O)COC[C@H]1CCCO1 ZINC000073532793 634141522 /nfs/dbraw/zinc/14/15/22/634141522.db2.gz OTVMWRMAHFYRHK-LSDHHAIUSA-N 0 0 318.369 2.498 10 30 DEEERN C#CCOCCC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000178969417 637526004 /nfs/dbraw/zinc/52/60/04/637526004.db2.gz MPEPBOVZTYNQSC-UHFFFAOYSA-N 0 0 317.385 2.298 10 30 DEEERN C=CCc1ccc(OC(=O)Cn2ccc(C)cc2=O)c(OC)c1 ZINC000192477112 637541305 /nfs/dbraw/zinc/54/13/05/637541305.db2.gz WHGTWSIXWYFNBB-UHFFFAOYSA-N 0 0 313.353 2.499 10 30 DEEERN C#Cc1cccc(N(CC)C(=O)[C@H](C)NC(=O)c2ccco2)c1 ZINC000103101826 637582874 /nfs/dbraw/zinc/58/28/74/637582874.db2.gz OFFRMJLJFADQQT-ZDUSSCGKSA-N 0 0 310.353 2.432 10 30 DEEERN CC[S@@](=O)CCNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000742406792 638069704 /nfs/dbraw/zinc/06/97/04/638069704.db2.gz QJWGHPGWXABDDE-HXUWFJFHSA-N 0 0 307.806 2.362 10 30 DEEERN COC[C@](C)(NC(=O)COc1cccc(C#N)c1)C(F)(F)F ZINC000742899681 638103173 /nfs/dbraw/zinc/10/31/73/638103173.db2.gz KIGLAEOXDPLFHF-ZDUSSCGKSA-N 0 0 316.279 2.021 10 30 DEEERN COc1ccc(CNS(=O)(=O)c2ccc(C)s2)cc1C#N ZINC000746681387 638369720 /nfs/dbraw/zinc/36/97/20/638369720.db2.gz YMWVBWFBMVLNCX-UHFFFAOYSA-N 0 0 322.411 2.415 10 30 DEEERN COc1ccc(CNC(=O)[C@H]2COc3ccccc32)cc1C#N ZINC000746860442 638381902 /nfs/dbraw/zinc/38/19/02/638381902.db2.gz YMICIBPFRVIDSR-HNNXBMFYSA-N 0 0 308.337 2.359 10 30 DEEERN COc1ccc(CNC(=O)Cc2c[nH]c3ncccc23)cc1C#N ZINC000746886188 638384410 /nfs/dbraw/zinc/38/44/10/638384410.db2.gz FZSCDJQJKZDHQE-UHFFFAOYSA-N 0 0 320.352 2.302 10 30 DEEERN CC[C@H](C[C@H](C)CO)NC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747423664 638436222 /nfs/dbraw/zinc/43/62/22/638436222.db2.gz UHMUFEGAARAENM-SWLSCSKDSA-N 0 0 319.405 2.163 10 30 DEEERN C[C@H]1CCCCN1C(=O)COC(=O)Cc1cccc(C#N)c1 ZINC000750433381 638744684 /nfs/dbraw/zinc/74/46/84/638744684.db2.gz ZRGDNNOOGCXVJT-ZDUSSCGKSA-N 0 0 300.358 2.045 10 30 DEEERN C[C@@H](OC(=O)Cc1cccc(C#N)c1)C(=O)NCc1ccccc1 ZINC000750433144 638744781 /nfs/dbraw/zinc/74/47/81/638744781.db2.gz UISLCZBZRYDPGS-CQSZACIVSA-N 0 0 322.364 2.349 10 30 DEEERN N#Cc1cccc(CC(=O)OCc2ccc(-n3ccnc3)nc2)c1 ZINC000750433002 638744798 /nfs/dbraw/zinc/74/47/98/638744798.db2.gz SKAHJTZVWVAROT-UHFFFAOYSA-N 0 0 318.336 2.425 10 30 DEEERN C#CC[C@@H](OC(=O)c1ccc(OCC(=O)OC)cc1)C1CC1 ZINC000750775120 639026264 /nfs/dbraw/zinc/02/62/64/639026264.db2.gz QNJXQYVGYIHECS-OAHLLOKOSA-N 0 0 302.326 2.197 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000751727140 639112218 /nfs/dbraw/zinc/11/22/18/639112218.db2.gz SURQTFMJOHTUEX-UHFFFAOYSA-N 0 0 322.327 2.430 10 30 DEEERN C=CCCOC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000752169222 639160184 /nfs/dbraw/zinc/16/01/84/639160184.db2.gz WNIJDRUDSLHIGC-GFCCVEGCSA-N 0 0 311.403 2.160 10 30 DEEERN C#C[C@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)C ZINC000805147459 639842413 /nfs/dbraw/zinc/84/24/13/639842413.db2.gz YDZAETDICKJHQK-ZDUSSCGKSA-N 0 0 323.437 2.297 10 30 DEEERN CN(C)c1ncccc1N(C)C(=O)Cc1ccc(OCC#N)cc1 ZINC000079726199 640016220 /nfs/dbraw/zinc/01/62/20/640016220.db2.gz GBXCBHVLDNUMTM-UHFFFAOYSA-N 0 0 324.384 2.255 10 30 DEEERN N#Cc1ccc(CNC(=O)c2cc(-n3cccc3)ccn2)nc1 ZINC000805201715 640186711 /nfs/dbraw/zinc/18/67/11/640186711.db2.gz PYXXCJVNHXHAEB-UHFFFAOYSA-N 0 0 303.325 2.069 10 30 DEEERN CC(C)[C@@H](OC(=O)/C=C\c1ccccc1C#N)C(=O)N(C)C ZINC000729703176 640830527 /nfs/dbraw/zinc/83/05/27/640830527.db2.gz HNXZNGSZQOPULN-ZBTGYSDGSA-N 0 0 300.358 2.227 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)c1ccc(C(F)(F)F)cn1 ZINC000805570852 642187739 /nfs/dbraw/zinc/18/77/39/642187739.db2.gz STZMRLUFKZVHTA-UHFFFAOYSA-N 0 0 323.270 2.489 10 30 DEEERN C=CCOc1ccc(C(=O)O[C@@H]2CC(=O)N(C)[C@H]2C)cc1OC ZINC000806063755 644467128 /nfs/dbraw/zinc/46/71/28/644467128.db2.gz FJHPTCACRWUCFD-SMDDNHRTSA-N 0 0 319.357 2.036 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)COc1ccsc1 ZINC000800303562 645254463 /nfs/dbraw/zinc/25/44/63/645254463.db2.gz GRAXPKDRAKTKMK-GFCCVEGCSA-N 0 0 309.387 2.259 10 30 DEEERN C#CCSCCNC(=O)C(=O)Nc1ccccc1CCC=C ZINC000800609046 645292387 /nfs/dbraw/zinc/29/23/87/645292387.db2.gz RDMJINVNHKKRGB-UHFFFAOYSA-N 0 0 316.426 2.226 10 30 DEEERN C=CCN(C(=O)C(=O)Nc1cc(OC)cc(OC)c1C)C(C)C ZINC000800627833 645293056 /nfs/dbraw/zinc/29/30/56/645293056.db2.gz PSCSZHJLTIGFDZ-UHFFFAOYSA-N 0 0 320.389 2.374 10 30 DEEERN C=CCn1c(C2CC2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC000800779317 645303602 /nfs/dbraw/zinc/30/36/02/645303602.db2.gz VEIRZUKSICYYPE-UHFFFAOYSA-N 0 0 300.410 2.328 10 30 DEEERN C=CC[C@H](NC(=O)N1CCO[C@@H](C(F)F)C1)c1ccncc1 ZINC000802172009 645491656 /nfs/dbraw/zinc/49/16/56/645491656.db2.gz XNRXWZSYAYYRRY-QWHCGFSZSA-N 0 0 311.332 2.374 10 30 DEEERN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCO[C@@H](C(F)F)C1 ZINC000802308039 645516130 /nfs/dbraw/zinc/51/61/30/645516130.db2.gz SSNCCTFNVLCDKU-ZIAGYGMSSA-N 0 0 321.327 2.221 10 30 DEEERN C[C@]1(C2CCCC2)NC(=O)N(CN2CCC(C)(C#N)CC2)C1=O ZINC000802738844 645550193 /nfs/dbraw/zinc/55/01/93/645550193.db2.gz WBDZWOKQIDHLCV-QGZVFWFLSA-N 0 0 318.421 2.070 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1 ZINC000803521466 645667495 /nfs/dbraw/zinc/66/74/95/645667495.db2.gz ICQRQUDCETZQEF-GOSISDBHSA-N 0 0 320.392 2.167 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000803698003 645680907 /nfs/dbraw/zinc/68/09/07/645680907.db2.gz ZXFXYSSGHTXDJJ-CYBMUJFWSA-N 0 0 318.394 2.357 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)NCc1ccccc1F ZINC000803699073 645681527 /nfs/dbraw/zinc/68/15/27/645681527.db2.gz PNUQCVIVOXPUHB-ZDUSSCGKSA-N 0 0 315.344 2.036 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000803700474 645682772 /nfs/dbraw/zinc/68/27/72/645682772.db2.gz RGYHHCZTUAVAJW-CYBMUJFWSA-N 0 0 315.344 2.209 10 30 DEEERN C#CCN(C(=O)C(=O)N[C@@H](C)c1ccsc1)C1CCCC1 ZINC000804078634 645726011 /nfs/dbraw/zinc/72/60/11/645726011.db2.gz MWRKGWLTEHUTBC-LBPRGKRZSA-N 0 0 304.415 2.330 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC000804451969 645773426 /nfs/dbraw/zinc/77/34/26/645773426.db2.gz BIMJVBGYZRFTGT-CYBMUJFWSA-N 0 0 320.352 2.028 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1nccn2ccnc12 ZINC000804457088 645774107 /nfs/dbraw/zinc/77/41/07/645774107.db2.gz OITVXHWQQGFWNH-HNNXBMFYSA-N 0 0 304.353 2.094 10 30 DEEERN C#Cc1cncc(C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000806900863 645884868 /nfs/dbraw/zinc/88/48/68/645884868.db2.gz DNBLHOVJFAMION-INIZCTEOSA-N 0 0 308.385 2.128 10 30 DEEERN C#CCC(CC#C)C(=O)NCCCc1ccc2c(c1)OCCO2 ZINC000807058880 645907567 /nfs/dbraw/zinc/90/75/67/645907567.db2.gz UGMMMEZMZCVDTF-UHFFFAOYSA-N 0 0 311.381 2.169 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccsc1 ZINC000807338006 645941418 /nfs/dbraw/zinc/94/14/18/645941418.db2.gz AGOBDQBZJDVCJJ-AWEZNQCLSA-N 0 0 312.394 2.437 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccsc1 ZINC000807338007 645941923 /nfs/dbraw/zinc/94/19/23/645941923.db2.gz AGOBDQBZJDVCJJ-CQSZACIVSA-N 0 0 312.394 2.437 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC000807466455 645954613 /nfs/dbraw/zinc/95/46/13/645954613.db2.gz BEHFPDLRDUVGIQ-GJZGRUSLSA-N 0 0 322.355 2.033 10 30 DEEERN C=CCN(C(=O)C(=O)N[C@@H](C)CCc1ccc(C)o1)C(C)C ZINC000807651813 645974277 /nfs/dbraw/zinc/97/42/77/645974277.db2.gz HEEWMTHAVNBTCC-ZDUSSCGKSA-N 0 0 306.406 2.448 10 30 DEEERN CC(=NNC(=S)N[C@H](C)C1CC1)c1cn2c(n1)CCCC2 ZINC000807975747 646014079 /nfs/dbraw/zinc/01/40/79/646014079.db2.gz YUAZOTVLTNBGME-SNVBAGLBSA-N 0 0 305.451 2.206 10 30 DEEERN COC(=O)N[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)C(C)C ZINC000171777157 646712655 /nfs/dbraw/zinc/71/26/55/646712655.db2.gz GAKWFWZMEXZIDV-GXFFZTMASA-N 0 0 315.329 2.385 10 30 DEEERN N#Cc1ccc(OCCNC(=O)CSC(F)(F)F)cc1 ZINC000173900457 646783195 /nfs/dbraw/zinc/78/31/95/646783195.db2.gz XZAIBOVZOMBIJF-UHFFFAOYSA-N 0 0 304.293 2.306 10 30 DEEERN C#C[C@H](C)OC(=O)c1ccccc1I ZINC000174411859 646808212 /nfs/dbraw/zinc/80/82/12/646808212.db2.gz ABZLYHCAIOPRQT-QMMMGPOBSA-N 0 0 300.095 2.470 10 30 DEEERN C#C[C@H](C)OC(=O)c1cccc(I)c1 ZINC000174423764 646808678 /nfs/dbraw/zinc/80/86/78/646808678.db2.gz BAOQVOVCOYWMBH-QMMMGPOBSA-N 0 0 300.095 2.470 10 30 DEEERN C#C[C@@H](C)OC(=O)c1cc(OC)c(OC(F)F)c(OC)c1 ZINC000174439732 646811254 /nfs/dbraw/zinc/81/12/54/646811254.db2.gz BZYPKLHMHQJFDC-MRVPVSSYSA-N 0 0 300.257 2.484 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)c1c[nH]c2ccc(OC)cc21 ZINC000730361768 647037530 /nfs/dbraw/zinc/03/75/30/647037530.db2.gz CSBBHPILTUJVLI-JTQLQIEISA-N 0 0 302.330 2.024 10 30 DEEERN C#CCOc1ccc([C@H](C)OC(=O)CNC(=O)CCC)cc1 ZINC000730429879 647192692 /nfs/dbraw/zinc/19/26/92/647192692.db2.gz OAUNYHCZVFNBRK-ZDUSSCGKSA-N 0 0 303.358 2.219 10 30 DEEERN CC[S@](=O)CCNC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000741420948 647449996 /nfs/dbraw/zinc/44/99/96/647449996.db2.gz NESSQWQRWHIHLA-QFIPXVFZSA-N 0 0 321.446 2.247 10 30 DEEERN C/C(=C\C(=O)OCCn1ncc(C#N)c1N)c1cccc(F)c1 ZINC000732504407 647610110 /nfs/dbraw/zinc/61/01/10/647610110.db2.gz SFZTZXHVQCDPMZ-YRNVUSSQSA-N 0 0 314.320 2.123 10 30 DEEERN N#C[C@@H]1CN(C(=O)C(F)(F)c2ccc(F)cc2)CCN1C1CC1 ZINC000732648291 647636108 /nfs/dbraw/zinc/63/61/08/647636108.db2.gz CNBAWLAPZKMDGL-CQSZACIVSA-N 0 0 323.318 2.116 10 30 DEEERN Cc1c(CN2CCN(C3CC3)[C@H](C#N)C2)cccc1[N+](=O)[O-] ZINC000732668849 647639319 /nfs/dbraw/zinc/63/93/19/647639319.db2.gz QQIDKIWEIXHPQW-OAHLLOKOSA-N 0 0 300.362 2.075 10 30 DEEERN CO[C@H](C)CCOC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000174826643 647847823 /nfs/dbraw/zinc/84/78/23/647847823.db2.gz UKBOYTQAVYSEEG-GFCCVEGCSA-N 0 0 307.394 2.314 10 30 DEEERN Cn1cc(CNC(=O)C#Cc2ccccc2)c(C(F)(F)F)n1 ZINC000153903598 647848509 /nfs/dbraw/zinc/84/85/09/647848509.db2.gz BYERCLGEJMGAGI-UHFFFAOYSA-N 0 0 307.275 2.107 10 30 DEEERN C#CCOCCC(=O)N[C@@H](CC(=O)OCC)c1ccccc1C ZINC000154706591 648072701 /nfs/dbraw/zinc/07/27/01/648072701.db2.gz HHJANLJGEBQKAF-INIZCTEOSA-N 0 0 317.385 2.145 10 30 DEEERN COC(=O)N[C@H](CC(C)C)C(=O)OCc1ccc(C#N)cc1 ZINC000064261061 648182769 /nfs/dbraw/zinc/18/27/69/648182769.db2.gz SADBIUZVRKEZEK-CQSZACIVSA-N 0 0 304.346 2.372 10 30 DEEERN CN1C(=O)CC[C@H](C(=O)N[C@@H](C#N)C2CC2)[C@@H]1c1ccccc1 ZINC000179662132 648407724 /nfs/dbraw/zinc/40/77/24/648407724.db2.gz LJELURZLVPOPFS-ZOBUZTSGSA-N 0 0 311.385 2.014 10 30 DEEERN C=CCCO[C@H](C)C(=O)[C@@H](C#N)c1nnc2n1CCCCC2 ZINC000069345815 648594590 /nfs/dbraw/zinc/59/45/90/648594590.db2.gz SDECQSRLJYRKOY-CHWSQXEVSA-N 0 0 302.378 2.162 10 30 DEEERN Cc1ncc(C(=O)OCC2(C#N)CCOCC2)c(C(C)C)n1 ZINC000183935492 649204390 /nfs/dbraw/zinc/20/43/90/649204390.db2.gz DSOOVWUVQBFRKY-UHFFFAOYSA-N 0 0 303.362 2.386 10 30 DEEERN CCOc1ccc(CC(=O)OCC2(C#N)CCOCC2)cc1 ZINC000183955846 649209288 /nfs/dbraw/zinc/20/92/88/649209288.db2.gz BQIZHCYUBSQMPV-UHFFFAOYSA-N 0 0 303.358 2.491 10 30 DEEERN COc1ccc(CC(=O)OCC2(C#N)CCOCC2)cc1F ZINC000183960477 649210851 /nfs/dbraw/zinc/21/08/51/649210851.db2.gz CYSYGPZRXWXVPW-UHFFFAOYSA-N 0 0 307.321 2.240 10 30 DEEERN C#CCCNC(=O)c1nc(NCc2ccco2)ncc1Cl ZINC000733247540 649463716 /nfs/dbraw/zinc/46/37/16/649463716.db2.gz LGNKKOZUZXIXAS-UHFFFAOYSA-N 0 0 304.737 2.088 10 30 DEEERN C#CCCCCCOC(=O)CCn1c2ccccc2n(C)c1=O ZINC000185341405 649499687 /nfs/dbraw/zinc/49/96/87/649499687.db2.gz MTQHFCSBOPKYIA-UHFFFAOYSA-N 0 0 314.385 2.467 10 30 DEEERN C#CCCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000733302726 649537580 /nfs/dbraw/zinc/53/75/80/649537580.db2.gz MYBVRSXQGCOSNJ-UHFFFAOYSA-N 0 0 322.264 2.324 10 30 DEEERN C#CCCNS(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000733321685 649542614 /nfs/dbraw/zinc/54/26/14/649542614.db2.gz IZROLOQCIILVLS-CSKARUKUSA-N 0 0 314.204 2.363 10 30 DEEERN CNC(=O)c1cccc(OC(=O)[C@H](C)Oc2ccccc2C#N)c1 ZINC000041859596 683893011 /nfs/dbraw/zinc/89/30/11/683893011.db2.gz HBEXNXWZWRJTLO-LBPRGKRZSA-N 0 0 324.336 2.291 10 30 DEEERN C=C(Br)CNC(=O)NC[C@@](C)(O)CCC(C)C ZINC000077797340 683956217 /nfs/dbraw/zinc/95/62/17/683956217.db2.gz MOILLLUFBKAZFG-LBPRGKRZSA-N 0 0 307.232 2.381 10 30 DEEERN COC(=O)[C@@H](OC(=O)c1cncc(C)c1)c1ccc(C#N)cc1 ZINC000080479916 683982792 /nfs/dbraw/zinc/98/27/92/683982792.db2.gz OHSWAFWTGBWTNE-HNNXBMFYSA-N 0 0 310.309 2.333 10 30 DEEERN Cn1cc(C#N)cc1C(=O)OCC(=O)N1CCCc2ccccc21 ZINC000081062929 683987903 /nfs/dbraw/zinc/98/79/03/683987903.db2.gz NLHJXTFXUXAXOD-UHFFFAOYSA-N 0 0 323.352 2.033 10 30 DEEERN C=CCC[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC000089318517 684021929 /nfs/dbraw/zinc/02/19/29/684021929.db2.gz CISGLJAFOAPYFQ-JTQLQIEISA-N 0 0 315.391 2.350 10 30 DEEERN N#Cc1cccc(S(=O)(=O)CCSC2=NCCS2)c1 ZINC000130200580 684186402 /nfs/dbraw/zinc/18/64/02/684186402.db2.gz SEQXDJOMGJWHFL-UHFFFAOYSA-N 0 0 312.441 2.168 10 30 DEEERN C[C@H](NC(=O)Nc1ccc(F)cc1OCC#N)[C@H]1CCCO1 ZINC000135335193 684234626 /nfs/dbraw/zinc/23/46/26/684234626.db2.gz NDIZYPYHFDYDNG-GXFFZTMASA-N 0 0 307.325 2.417 10 30 DEEERN C=C[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000187531847 684340067 /nfs/dbraw/zinc/34/00/67/684340067.db2.gz QVTWPBKUWQXQQQ-GFCCVEGCSA-N 0 0 311.403 2.448 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)O[C@H]1CCN(CC(F)(F)F)C1 ZINC000187637141 684340706 /nfs/dbraw/zinc/34/07/06/684340706.db2.gz NJQOYUDVADYHPC-WCQYABFASA-N 0 0 309.328 2.395 10 30 DEEERN CCCCCCCS(=O)(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000195053641 685085694 /nfs/dbraw/zinc/08/56/94/685085694.db2.gz DWXOUOXVFWAGHB-UHFFFAOYSA-N 0 0 318.483 2.087 10 30 DEEERN CC(=O)N1CCO[C@H]2CCN(c3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC000886031086 691987967 /nfs/dbraw/zinc/98/79/67/691987967.db2.gz MBFDACVSLRRDJL-CVEARBPZSA-N 0 0 319.792 2.038 10 30 DEEERN CO[C@@H]1C[C@@H](COc2cccnc2)N(c2cccc(C#N)n2)C1 ZINC000886048328 691992115 /nfs/dbraw/zinc/99/21/15/691992115.db2.gz IMPHAYHZMBNWNF-GOEBONIOSA-N 0 0 310.357 2.021 10 30 DEEERN N#Cc1ccc(C(=O)N2CCS[C@@H](C(F)(F)F)C2)nc1 ZINC000721413876 776733821 /nfs/dbraw/zinc/73/38/21/776733821.db2.gz LALCSLZFTGBLIX-SNVBAGLBSA-N 0 0 301.293 2.073 10 30 DEEERN Cc1nc(NCC(C)(C)CS(C)(=O)=O)c(Cl)cc1C#N ZINC000723880175 777197831 /nfs/dbraw/zinc/19/78/31/777197831.db2.gz YWORQTUWABOMQO-UHFFFAOYSA-N 0 0 315.826 2.398 10 30 DEEERN CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(C#N)s2)CO1 ZINC000722489646 778739761 /nfs/dbraw/zinc/73/97/61/778739761.db2.gz KLMBRWQWOXMUAK-JTQLQIEISA-N 0 0 309.391 2.260 10 30 DEEERN C=CCn1c(C)cc(C(=O)COC(=O)[C@@H]2CCC[C@H]2O)c1C ZINC000745336602 784711183 /nfs/dbraw/zinc/71/11/83/784711183.db2.gz KNGAZZWUIWMBTC-UKRRQHHQSA-N 0 0 305.374 2.178 10 30 DEEERN C#CCCCCC(=O)NCc1ccc(C(=O)OC)c(OC)c1 ZINC000120048956 796485223 /nfs/dbraw/zinc/48/52/23/796485223.db2.gz KSXJPWDIQNLMLU-UHFFFAOYSA-N 0 0 303.358 2.292 10 30 DEEERN C#CC[C@H](C)OC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000083790438 1081433488 /nfs/dbraw/zinc/43/34/88/1081433488.db2.gz BUGAEVJRMZWAFH-LRDDRELGSA-N 0 0 303.358 2.218 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2F)C1 ZINC000703637237 1086530096 /nfs/dbraw/zinc/53/00/96/1086530096.db2.gz RQGCWHNXGNMELD-SECBINFHSA-N 0 0 304.774 2.461 10 30 DEEERN CN(C1(C(F)(F)F)CC1)S(=O)(=O)c1cccc(C#N)c1 ZINC000720344637 1088400252 /nfs/dbraw/zinc/40/02/52/1088400252.db2.gz LYKKKWBGQYQZRJ-UHFFFAOYSA-N 0 0 304.293 2.274 10 30 DEEERN C[C@@H]1[C@H](C)SCCN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720037320 1089428636 /nfs/dbraw/zinc/42/86/36/1089428636.db2.gz MCPCYJXZTLZGOF-ZJUUUORDSA-N 0 0 314.407 2.212 10 30 DEEERN C=CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](CCF)C1 ZINC000624827390 365562668 /nfs/dbraw/zinc/56/26/68/365562668.db2.gz ICVZVPXOXUDTIM-UONOGXRCSA-N 0 0 324.400 2.271 10 30 DEEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CCC[C@@H](COC)CC1 ZINC000624847664 365569361 /nfs/dbraw/zinc/56/93/61/365569361.db2.gz RSSHIVGBCHYIHK-CYBMUJFWSA-N 0 0 316.409 2.107 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCC(C)(C)C(=O)N2CCCC2)C1 ZINC000624848144 365569496 /nfs/dbraw/zinc/56/94/96/365569496.db2.gz WMWVJUVNUCLLOG-CQSZACIVSA-N 0 0 307.438 2.243 10 30 DEEERN COc1csc(C(=O)Nc2ccc(C#CCO)cc2F)c1 ZINC000162160913 197549622 /nfs/dbraw/zinc/54/96/22/197549622.db2.gz GFVMLQGGFGAZDG-UHFFFAOYSA-N 0 0 305.330 2.492 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)c1ccc(OC)c(F)c1 ZINC000612301889 361785482 /nfs/dbraw/zinc/78/54/82/361785482.db2.gz UXHJUZVNRREZDP-CQSZACIVSA-N 0 0 308.353 2.268 10 30 DEEERN N#Cc1cc(C(=O)NCc2ccc(N3CCCCC3=O)cc2)c[nH]1 ZINC000181245292 199271119 /nfs/dbraw/zinc/27/11/19/199271119.db2.gz YCOFPFXJOOKFGE-UHFFFAOYSA-N 0 0 322.368 2.333 10 30 DEEERN CN(CC(=O)N1CCC[C@@](C)(C#N)C1)c1ccc(Cl)cn1 ZINC000612368226 361805642 /nfs/dbraw/zinc/80/56/42/361805642.db2.gz WGVMDLZYNBHZML-HNNXBMFYSA-N 0 0 306.797 2.323 10 30 DEEERN C=C(C)Cn1c([C@@H](C)CC)nnc1N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000624981227 365606565 /nfs/dbraw/zinc/60/65/65/365606565.db2.gz SQESGYYMSPWQNA-RWMBFGLXSA-N 0 0 305.426 2.068 10 30 DEEERN Cc1c(Cl)cnn1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000163138216 197613323 /nfs/dbraw/zinc/61/33/23/197613323.db2.gz TYBBLSNGNKVBIB-UHFFFAOYSA-N 0 0 309.778 2.191 10 30 DEEERN C=CCN(c1nnc(-c2cn[nH]c2)n1C[C@H]1CCCO1)C1CC1 ZINC000625098275 365642976 /nfs/dbraw/zinc/64/29/76/365642976.db2.gz OGHPBCYZSJGKQN-CQSZACIVSA-N 0 0 314.393 2.002 10 30 DEEERN C=CCCN(C)S(=O)(=O)C[C@@H](Cc1ccc(F)cc1)OC ZINC000625143897 365659908 /nfs/dbraw/zinc/65/99/08/365659908.db2.gz LETURAJDFYHPNN-OAHLLOKOSA-N 0 0 315.410 2.221 10 30 DEEERN CCCNC(=O)CCNc1nc(C(F)(F)F)ccc1C#N ZINC000078834267 185117909 /nfs/dbraw/zinc/11/79/09/185117909.db2.gz ANUHRONKEARHJK-UHFFFAOYSA-N 0 0 300.284 2.300 10 30 DEEERN C=CCCCN(C)c1nnc(C(=O)N2CCCC2)n1CC1CC1 ZINC000612591130 361868521 /nfs/dbraw/zinc/86/85/21/361868521.db2.gz HARLDPGDKWVXBN-UHFFFAOYSA-N 0 0 317.437 2.327 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000612604846 361871994 /nfs/dbraw/zinc/87/19/94/361871994.db2.gz XNYURUFUVNYXNB-GJZGRUSLSA-N 0 0 308.422 2.065 10 30 DEEERN COc1ccc(Cn2cnc(Cl)c(Cl)c2=O)cc1C#N ZINC000164829287 197664306 /nfs/dbraw/zinc/66/43/06/197664306.db2.gz KNWOOCXHWYWQEI-UHFFFAOYSA-N 0 0 310.140 2.479 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(c2ccccn2)CC1 ZINC000612930213 361953001 /nfs/dbraw/zinc/95/30/01/361953001.db2.gz QEKALOOEXLLDLY-QGZVFWFLSA-N 0 0 315.417 2.259 10 30 DEEERN Cn1cc([C@H]2OCCC[C@@H]2NC(=O)c2sccc2C#N)cn1 ZINC000328630846 231266982 /nfs/dbraw/zinc/26/69/82/231266982.db2.gz QHKSFFRLKPNPTG-QWHCGFSZSA-N 0 0 316.386 2.003 10 30 DEEERN COc1cccc(N2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC000181301834 199279273 /nfs/dbraw/zinc/27/92/73/199279273.db2.gz HTPCZPOAKRYXBE-CQSZACIVSA-N 0 0 324.384 2.294 10 30 DEEERN CCc1nnsc1C(=O)Nc1ccc(C#CCO)c(C)c1 ZINC000087456311 185225713 /nfs/dbraw/zinc/22/57/13/185225713.db2.gz QSBZDRQBHNZBFX-UHFFFAOYSA-N 0 0 301.371 2.005 10 30 DEEERN CCc1nnsc1C(=O)Nc1ccc(C#CCO)cc1C ZINC000087456313 185225721 /nfs/dbraw/zinc/22/57/21/185225721.db2.gz JIDQRNDBNWUQHB-UHFFFAOYSA-N 0 0 301.371 2.005 10 30 DEEERN CCc1nnsc1C(=O)Nc1cccc(C#CCCO)c1 ZINC000087456326 185225723 /nfs/dbraw/zinc/22/57/23/185225723.db2.gz VKVBNRTUBZWWGA-UHFFFAOYSA-N 0 0 301.371 2.087 10 30 DEEERN N#Cc1cc(N)c(OCCF)c(I)c1 ZINC000087774139 185231651 /nfs/dbraw/zinc/23/16/51/185231651.db2.gz LFVLPCNYZUPNPO-UHFFFAOYSA-N 0 0 306.078 2.093 10 30 DEEERN CC[C@@H](C#N)S(=O)(=O)NCc1cccc(Br)c1 ZINC000088474197 185252395 /nfs/dbraw/zinc/25/23/95/185252395.db2.gz HCWCPXJTKAIKAC-NSHDSACASA-N 0 0 317.208 2.171 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CC(C)(C)C(F)(F)CC ZINC000625240046 365693471 /nfs/dbraw/zinc/69/34/71/365693471.db2.gz NWMKEFAJIOHBKL-MNOVXSKESA-N 0 0 311.394 2.321 10 30 DEEERN CN(C)S(=O)(=O)c1ccc(CNc2ccccc2C#N)o1 ZINC000088539799 185255311 /nfs/dbraw/zinc/25/53/11/185255311.db2.gz CDYXIXVHWVWAFM-UHFFFAOYSA-N 0 0 305.359 2.014 10 30 DEEERN C=CCN(C(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F)C1CC1 ZINC000613239085 362052576 /nfs/dbraw/zinc/05/25/76/362052576.db2.gz JUKSJDJAOWJKBE-NWDGAFQWSA-N 0 0 307.312 2.147 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)c1ccncc1CC ZINC000613245373 362055171 /nfs/dbraw/zinc/05/51/71/362055171.db2.gz ADLLHTAKQOTQQH-BLLLJJGKSA-N 0 0 303.406 2.292 10 30 DEEERN O=C(NCC#CCOc1cccnc1)c1c[nH]c2ccccc21 ZINC000090734283 185311549 /nfs/dbraw/zinc/31/15/49/185311549.db2.gz IUKYMIJCOLZLAB-UHFFFAOYSA-N 0 0 305.337 2.375 10 30 DEEERN CCS(=O)(=O)NCC#CCOc1cccc(C(F)(F)F)c1 ZINC000090730569 185311703 /nfs/dbraw/zinc/31/17/03/185311703.db2.gz UVMUUAQSPAEIRR-UHFFFAOYSA-N 0 0 321.320 2.027 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000625327681 365731832 /nfs/dbraw/zinc/73/18/32/365731832.db2.gz KCNXIQSLQQPXFI-UHFFFAOYSA-N 0 0 309.391 2.149 10 30 DEEERN Cc1nc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(=O)[nH]c1C ZINC000092350678 185313758 /nfs/dbraw/zinc/31/37/58/185313758.db2.gz VHJMAUZRVPQSOW-UHFFFAOYSA-N 0 0 324.384 2.309 10 30 DEEERN C=C[C@H](O)C(=O)N1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000613789086 362210336 /nfs/dbraw/zinc/21/03/36/362210336.db2.gz XXHSNDLTBYAVSN-AWEZNQCLSA-N 0 0 300.358 2.389 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCc2cc(C)ccc2C1 ZINC000613915518 362245256 /nfs/dbraw/zinc/24/52/56/362245256.db2.gz DFELHEYIZCBMSX-QGZVFWFLSA-N 0 0 300.402 2.351 10 30 DEEERN C=CCN(C)C(=O)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000625384280 365755858 /nfs/dbraw/zinc/75/58/58/365755858.db2.gz WDWYPRAXDWQNNJ-UHFFFAOYSA-N 0 0 306.309 2.028 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@H](C)c1ccncc1 ZINC000625446741 365789096 /nfs/dbraw/zinc/78/90/96/365789096.db2.gz SVKRWMDMVKWGMG-CYBMUJFWSA-N 0 0 303.406 2.320 10 30 DEEERN CN(CCCO)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000441643078 529893031 /nfs/dbraw/zinc/89/30/31/529893031.db2.gz AZKMVFTWARFVFX-UHFFFAOYSA-N 0 0 309.369 2.328 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(OC)CCC(C)CC1 ZINC000614263091 362333976 /nfs/dbraw/zinc/33/39/76/362333976.db2.gz KEGIZPSYDRNQTE-GNHJJJEISA-N 0 0 310.438 2.169 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](NCC(F)(F)F)C(C)C ZINC000614372098 362364140 /nfs/dbraw/zinc/36/41/40/362364140.db2.gz GNWLOWDAYBMZKR-AGIUHOORSA-N 0 0 322.371 2.260 10 30 DEEERN CN1C(=O)CC[C@H]1C(=O)NCC1(c2ccncc2)CCCC1 ZINC000329528801 530042734 /nfs/dbraw/zinc/04/27/34/530042734.db2.gz IGCMIZOPCBBFJE-AWEZNQCLSA-N 0 0 301.390 2.471 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1oc(C(C)C)nc1C ZINC000615158781 362547134 /nfs/dbraw/zinc/54/71/34/362547134.db2.gz VTAGPFWMUKTQHM-CYBMUJFWSA-N 0 0 307.394 2.194 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc2c(cn1)CCCC2 ZINC000615114485 362536723 /nfs/dbraw/zinc/53/67/23/362536723.db2.gz HFUPCZOKJTVTCX-HNNXBMFYSA-N 0 0 301.390 2.370 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CCCCC1(F)F ZINC000615474615 362616553 /nfs/dbraw/zinc/61/65/53/362616553.db2.gz YKFPUHSLQWVKHS-OLZOCXBDSA-N 0 0 302.365 2.399 10 30 DEEERN Cn1ccnc1[C@H](NC(=O)c1ccc(C#N)cc1)C1CCOCC1 ZINC000286790613 219168445 /nfs/dbraw/zinc/16/84/45/219168445.db2.gz JUSJWFDQBAFPJR-MRXNPFEDSA-N 0 0 324.384 2.189 10 30 DEEERN C=CC(C)(C)CNC(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC000615831690 362711678 /nfs/dbraw/zinc/71/16/78/362711678.db2.gz QJZAGWZYVNLCSS-WDEREUQCSA-N 0 0 309.328 2.299 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1cncc(Br)c1C ZINC000615848534 362716931 /nfs/dbraw/zinc/71/69/31/362716931.db2.gz IOAUGGGISNFFER-NEPJUHHUSA-N 0 0 311.179 2.226 10 30 DEEERN C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000279665756 215044146 /nfs/dbraw/zinc/04/41/46/215044146.db2.gz ZFRREMCYHFJCRL-INIZCTEOSA-N 0 0 315.417 2.395 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1Cc2cccc(F)c2C1 ZINC000625637407 365856552 /nfs/dbraw/zinc/85/65/52/365856552.db2.gz MZZQACWSIIRTFN-UHFFFAOYSA-N 0 0 304.365 2.386 10 30 DEEERN C=CC[C@H]1CCCN(C(=O)C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC000625678787 365869280 /nfs/dbraw/zinc/86/92/80/365869280.db2.gz YQDUJYJKIXUKMG-AFIMGQEJSA-N 0 0 304.434 2.354 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@]2(CCSC2)C1 ZINC000616113333 362774525 /nfs/dbraw/zinc/77/45/25/362774525.db2.gz JSHWUDKKCAYCKF-HOCLYGCPSA-N 0 0 310.463 2.203 10 30 DEEERN Cc1ccc(NC(=O)[C@@H](C#N)c2nccn2CC(F)(F)F)cn1 ZINC000616177078 362788222 /nfs/dbraw/zinc/78/82/22/362788222.db2.gz FQPXSTYXCWEMLE-NSHDSACASA-N 0 0 323.278 2.395 10 30 DEEERN CCC(C#N)(CC)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000126573195 185875103 /nfs/dbraw/zinc/87/51/03/185875103.db2.gz YKOLAIDBKBNCEK-UHFFFAOYSA-N 0 0 315.326 2.095 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1C ZINC000616526547 362882104 /nfs/dbraw/zinc/88/21/04/362882104.db2.gz SWVIECTUTPXNQJ-GVDBMIGSSA-N 0 0 300.402 2.438 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC2(CC2(F)F)CC1 ZINC000616541701 362885194 /nfs/dbraw/zinc/88/51/94/362885194.db2.gz UENVKIMSAPXSPT-LBPRGKRZSA-N 0 0 300.349 2.105 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC000616720476 362920002 /nfs/dbraw/zinc/92/00/02/362920002.db2.gz NEOTWLFAOPALHB-GDBMZVCRSA-N 0 0 322.449 2.408 10 30 DEEERN C#CCN(CC=C)Cc1c(C(=O)N2CCCC2)nc2ccccn21 ZINC000071735580 191018029 /nfs/dbraw/zinc/01/80/29/191018029.db2.gz JOBCKKOWVXGHGW-UHFFFAOYSA-N 0 0 322.412 2.192 10 30 DEEERN C[C@@H]1[C@H](C)SCCN1C(=O)c1ccc(C#CCO)cc1F ZINC000133657112 186004052 /nfs/dbraw/zinc/00/40/52/186004052.db2.gz CAXMRNWPCSJZLL-NEPJUHHUSA-N 0 0 307.390 2.136 10 30 DEEERN CNc1nc(Cl)nc(Oc2ccc(C#N)cc2[N+](=O)[O-])n1 ZINC000148228334 186043921 /nfs/dbraw/zinc/04/39/21/186043921.db2.gz FYESQGHMQXYFGN-UHFFFAOYSA-N 0 0 306.669 2.139 10 30 DEEERN COc1ccc(C(=O)NCc2sccc2C#CCO)cc1 ZINC000148572680 186045150 /nfs/dbraw/zinc/04/51/50/186045150.db2.gz VWWRVHUNDGYCCX-UHFFFAOYSA-N 0 0 301.367 2.031 10 30 DEEERN O=C(NCc1sccc1C#CCCO)c1cc(Cl)c[nH]1 ZINC000148589960 186045199 /nfs/dbraw/zinc/04/51/99/186045199.db2.gz MVEQQYJVQQZCQR-UHFFFAOYSA-N 0 0 308.790 2.394 10 30 DEEERN Cn1cc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)ccc1=O ZINC000171136775 197886756 /nfs/dbraw/zinc/88/67/56/197886756.db2.gz PWADVYUKZWZCQF-UHFFFAOYSA-N 0 0 322.368 2.453 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(NS(=O)(=O)CC)cc1 ZINC000277263211 213403973 /nfs/dbraw/zinc/40/39/73/213403973.db2.gz ASZAVKDFBPMMLG-UHFFFAOYSA-N 0 0 318.398 2.050 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnnn1C1CC1 ZINC000617037234 363006722 /nfs/dbraw/zinc/00/67/22/363006722.db2.gz JVNUTCPVQIWIQF-YPMHNXCESA-N 0 0 321.450 2.351 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000617036056 363006739 /nfs/dbraw/zinc/00/67/39/363006739.db2.gz YEUVZFJGUYSWPE-DOMZBBRYSA-N 0 0 322.430 2.199 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CCC[C@]1(C)NC(=O)NC1=O ZINC000617040665 363006887 /nfs/dbraw/zinc/00/68/87/363006887.db2.gz XHAIAHYXSYODSS-XNJGSVPQSA-N 0 0 321.421 2.006 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(C)cc(O)cc1=O ZINC000617040437 363006968 /nfs/dbraw/zinc/00/69/68/363006968.db2.gz UHSPHPQSUUSOJE-HIFRSBDPSA-N 0 0 304.390 2.113 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000617042071 363007655 /nfs/dbraw/zinc/00/76/55/363007655.db2.gz MYUARZNIWTVBDC-WCQYABFASA-N 0 0 315.373 2.277 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cn1c(C)cc(C)nc1=O ZINC000617042734 363007950 /nfs/dbraw/zinc/00/79/50/363007950.db2.gz VITXPCQBYOCVBH-LSDHHAIUSA-N 0 0 303.406 2.111 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cn(C2CCOCC2)nn1 ZINC000617044502 363008009 /nfs/dbraw/zinc/00/80/09/363008009.db2.gz OUDKWFVDUPMCLB-DZGCQCFKSA-N 0 0 318.421 2.494 10 30 DEEERN C=CCSCCNS(=O)(=O)Cc1cccc(OC)c1 ZINC000172203374 198057586 /nfs/dbraw/zinc/05/75/86/198057586.db2.gz JZELBPBXKBBPJS-UHFFFAOYSA-N 0 0 301.433 2.034 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)C1CN(CC(F)F)C1 ZINC000413991014 404469245 /nfs/dbraw/zinc/46/92/45/404469245.db2.gz UMJQEMXFSFFHEQ-OAHLLOKOSA-N 0 0 308.372 2.487 10 30 DEEERN C=CCCC1(CNC(=O)C(C)(C)S(C)(=O)=O)CCCC1 ZINC000617416937 363128140 /nfs/dbraw/zinc/12/81/40/363128140.db2.gz DFRRMNORFBEOQW-UHFFFAOYSA-N 0 0 301.452 2.452 10 30 DEEERN CCC(=O)N1CSC[C@@H]1C(=O)NCCOC1CCCC1 ZINC000328912290 539911989 /nfs/dbraw/zinc/91/19/89/539911989.db2.gz OWGQWXMCPQYLFR-GFCCVEGCSA-N 0 0 300.424 2.214 10 30 DEEERN Cc1cnc([C@H](C)NC(=O)N2CCC[C@@H]2c2noc(C)n2)o1 ZINC000329284249 539916944 /nfs/dbraw/zinc/91/69/44/539916944.db2.gz NSWPONGWSACTDN-GXSJLCMTSA-N 0 0 305.338 2.487 10 30 DEEERN C[C@H](NC(=O)N1CCO[C@]2(CCCOC2)C1)c1cncc(F)c1 ZINC000329303405 539918006 /nfs/dbraw/zinc/91/80/06/539918006.db2.gz WUVQGMSVHPEOOE-BLLLJJGKSA-N 0 0 323.368 2.077 10 30 DEEERN Cc1ccc2c(O)c(C(=O)N[C@@H]3CCCNC3=O)cnc2n1 ZINC000329390765 539919356 /nfs/dbraw/zinc/91/93/56/539919356.db2.gz VCGJWOLUQPRZBD-LLVKDONJSA-N 0 0 300.318 2.067 10 30 DEEERN CCC1CCC(NC(=O)N2C[C@H](OC)C[C@H]2c2nc[nH]n2)CC1 ZINC000329075326 539913882 /nfs/dbraw/zinc/91/38/82/539913882.db2.gz BUCDJOBHHNCPCJ-PQAZSJQKSA-N 0 0 321.425 2.449 10 30 DEEERN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)CN1CC(=O)NC1=O ZINC000329556894 539922986 /nfs/dbraw/zinc/92/29/86/539922986.db2.gz KYYXENDVVGSRGP-ZWNOBZJWSA-N 0 0 311.382 2.176 10 30 DEEERN C=CCOCCCC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000173109277 198185896 /nfs/dbraw/zinc/18/58/96/198185896.db2.gz VYSRWLRCDRBJNK-AWEZNQCLSA-N 0 0 314.389 2.427 10 30 DEEERN C=CCN(C(=O)Cn1ccc(=O)c2ccccc21)[C@H](C)COC ZINC000617578990 363195227 /nfs/dbraw/zinc/19/52/27/363195227.db2.gz VSZYMOJNAKDAOE-CQSZACIVSA-N 0 0 314.385 2.051 10 30 DEEERN C[C@H]1CCc2c(C#N)c(NC(=O)c3cc(N)n[nH]3)sc2C1 ZINC000080636576 192176753 /nfs/dbraw/zinc/17/67/53/192176753.db2.gz UQWFLEFORBEPDK-ZETCQYMHSA-N 0 0 301.375 2.302 10 30 DEEERN Cc1cc([C@@H]2CCCN(C(=O)N[C@H]3CCC[C@@H]3C#N)C2)[nH]n1 ZINC000332733314 539939642 /nfs/dbraw/zinc/93/96/42/539939642.db2.gz YDWDMIIFEYJNEU-MCIONIFRSA-N 0 0 301.394 2.299 10 30 DEEERN COc1ccc(Cn2c(C)nn(C(C)(C)C)c2=O)cc1C#N ZINC000182156308 199394266 /nfs/dbraw/zinc/39/42/66/199394266.db2.gz HACAPDWDOHCICM-UHFFFAOYSA-N 0 0 300.362 2.037 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN2CCO[C@@](C)(COC)C2)c1C ZINC000626173282 366092676 /nfs/dbraw/zinc/09/26/76/366092676.db2.gz QSQSXWQVLRAJND-GOSISDBHSA-N 0 0 320.433 2.211 10 30 DEEERN CC(=O)c1ccc(OCCCC(=O)N2CC(CC#N)C2)cc1 ZINC000617896260 363299080 /nfs/dbraw/zinc/29/90/80/363299080.db2.gz ONCLLVINGUXXML-UHFFFAOYSA-N 0 0 300.358 2.420 10 30 DEEERN CCCCCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000043261102 354217144 /nfs/dbraw/zinc/21/71/44/354217144.db2.gz NJUPYTIHXJNOLV-UHFFFAOYSA-N 0 0 312.435 2.311 10 30 DEEERN C#Cc1cccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000044577511 354238170 /nfs/dbraw/zinc/23/81/70/354238170.db2.gz HSDVZYFEQXODRO-OAHLLOKOSA-N 0 0 306.369 2.313 10 30 DEEERN C=CCOCCNC(=O)c1cc(C)n(C[C@H]2CCCOC2)c1C ZINC000626403873 366175097 /nfs/dbraw/zinc/17/50/97/366175097.db2.gz GGEWVZSFEPLPMR-MRXNPFEDSA-N 0 0 320.433 2.464 10 30 DEEERN N/C(=N\O)Nc1ccc(Br)cc1Br ZINC000052834718 354414194 /nfs/dbraw/zinc/41/41/94/354414194.db2.gz DBTXLKGPGGNLIT-UHFFFAOYSA-N 0 0 308.961 2.327 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(C)n([C@H]2CCCOC2)c1C ZINC000626448947 366191142 /nfs/dbraw/zinc/19/11/42/366191142.db2.gz RKJNQUXVDPUJAV-GJZGRUSLSA-N 0 0 306.406 2.123 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2cccc3c2OCC(=O)N3)C1 ZINC000626567337 366228991 /nfs/dbraw/zinc/22/89/91/366228991.db2.gz OZVZGRYOQHZOCV-LLVKDONJSA-N 0 0 301.346 2.447 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1C[C@H](C)C(O)[C@@H](C)C1 ZINC000618274250 363442029 /nfs/dbraw/zinc/44/20/29/363442029.db2.gz OQOVDMCHKAXFBQ-STQMWFEESA-N 0 0 319.401 2.349 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000073085593 354940385 /nfs/dbraw/zinc/94/03/85/354940385.db2.gz GTWCNEWENGUTMW-UHFFFAOYSA-N 0 0 308.765 2.205 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)NCc1nccn1CC(C)C ZINC000352231796 540060866 /nfs/dbraw/zinc/06/08/66/540060866.db2.gz KFDWCOBAPCVESK-AWEZNQCLSA-N 0 0 320.437 2.016 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000076490954 355151926 /nfs/dbraw/zinc/15/19/26/355151926.db2.gz NDEFRYHGSIWKIL-UHFFFAOYSA-N 0 0 305.769 2.354 10 30 DEEERN N#Cc1ccccc1S(=O)(=O)N1CCO[C@@H]1c1ccccc1 ZINC000074882622 191378548 /nfs/dbraw/zinc/37/85/48/191378548.db2.gz KKXCMKVGWINILK-MRXNPFEDSA-N 0 0 314.366 2.278 10 30 DEEERN C=CCCOCCNC(=O)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000090149244 355559705 /nfs/dbraw/zinc/55/97/05/355559705.db2.gz OFRZRSNJWMBRJO-AWEZNQCLSA-N 0 0 312.797 2.265 10 30 DEEERN C=CCNC(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000092853173 355653837 /nfs/dbraw/zinc/65/38/37/355653837.db2.gz FVHKLLYZHYXKKL-NSHDSACASA-N 0 0 315.295 2.449 10 30 DEEERN C=CCOc1ccccc1CN1CCC(O)(C(=O)OCC)CC1 ZINC000093596033 355685189 /nfs/dbraw/zinc/68/51/89/355685189.db2.gz DFDSHHQGGCWLTN-UHFFFAOYSA-N 0 0 319.401 2.141 10 30 DEEERN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2C#N)CC1 ZINC000115258476 355767746 /nfs/dbraw/zinc/76/77/46/355767746.db2.gz RRPZELISZVPCFV-UHFFFAOYSA-N 0 0 315.373 2.251 10 30 DEEERN CC(C)(C)OC(=O)N1CCN(c2ccccc2C#N)C(=O)C1 ZINC000116588249 355774771 /nfs/dbraw/zinc/77/47/71/355774771.db2.gz FWBHQBAYOJIEBK-UHFFFAOYSA-N 0 0 301.346 2.142 10 30 DEEERN COC(=O)c1cncc(NC(=O)NCc2cccc(C#N)c2)c1 ZINC000179501925 356027326 /nfs/dbraw/zinc/02/73/26/356027326.db2.gz VUVGRESDMZGGOQ-UHFFFAOYSA-N 0 0 310.313 2.062 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccc(OC2CCCC2)nc1 ZINC000182973388 356154869 /nfs/dbraw/zinc/15/48/69/356154869.db2.gz ITLUPKVNIDABSK-AWEZNQCLSA-N 0 0 319.405 2.139 10 30 DEEERN C[C@@H](NS(=O)(=O)CC(C)(C)C)c1cccc(C#CCO)c1 ZINC000080192681 192011505 /nfs/dbraw/zinc/01/15/05/192011505.db2.gz LRTQAYRJSUFJNU-CYBMUJFWSA-N 0 0 309.431 2.057 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCO[C@H](CCc2ccccc2)C1 ZINC000183335203 356167800 /nfs/dbraw/zinc/16/78/00/356167800.db2.gz MFVMYDSIWKRCFB-QGZVFWFLSA-N 0 0 323.396 2.371 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccccc1OC1CCC1 ZINC000183514280 356174948 /nfs/dbraw/zinc/17/49/48/356174948.db2.gz AWSWYGSEKYUPBB-AWEZNQCLSA-N 0 0 304.390 2.354 10 30 DEEERN C=CCNC(=O)CN[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000182609715 356133680 /nfs/dbraw/zinc/13/36/80/356133680.db2.gz BXCNSNPFDXFPSU-LBPRGKRZSA-N 0 0 308.250 2.460 10 30 DEEERN N#Cc1cc(C(=O)N2CC[C@]3(C2)OCc2ccccc23)ccn1 ZINC000193851412 356231149 /nfs/dbraw/zinc/23/11/49/356231149.db2.gz QYEBLLYRBIGPCM-GOSISDBHSA-N 0 0 305.337 2.225 10 30 DEEERN C=CCOc1ccccc1CNC(=O)c1ccc2nnn(C)c2c1 ZINC000183892890 356181894 /nfs/dbraw/zinc/18/18/94/356181894.db2.gz MITAGJXRIXHISO-UHFFFAOYSA-N 0 0 322.368 2.463 10 30 DEEERN C[C@H](Cc1ccccc1)NC(=O)CON=Cc1ccccc1O ZINC000254629668 356336738 /nfs/dbraw/zinc/33/67/38/356336738.db2.gz VQMYPSAYHUORPC-CQSZACIVSA-N 0 0 312.369 2.490 10 30 DEEERN N#Cc1ccc(N2CCC[C@H](c3ccnc(N)n3)C2)c([N+](=O)[O-])c1 ZINC000192754757 283160042 /nfs/dbraw/zinc/16/00/42/283160042.db2.gz JBPFVFLPGHTTDD-LBPRGKRZSA-N 0 0 324.344 2.223 10 30 DEEERN O=C(C#CBr)NCc1ccc(Br)o1 ZINC000307755377 356409511 /nfs/dbraw/zinc/40/95/11/356409511.db2.gz DDKKZKMQIGAZBP-UHFFFAOYSA-N 0 0 306.941 2.014 10 30 DEEERN C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1cccnc1 ZINC000328617586 356460597 /nfs/dbraw/zinc/46/05/97/356460597.db2.gz CVZCYGAKBNNJGE-BBRMVZONSA-N 0 0 309.373 2.279 10 30 DEEERN Cc1nc2c(s1)CCC[C@H]2CNC(=O)c1cnn(C)c1N ZINC000328614265 356460971 /nfs/dbraw/zinc/46/09/71/356460971.db2.gz AEJUGTSMFAIRES-VIFPVBQESA-N 0 0 305.407 2.192 10 30 DEEERN CCN1CCN(C(=O)Nc2cnccc2C)C[C@H]1c1ncc[nH]1 ZINC000328644353 356466091 /nfs/dbraw/zinc/46/60/91/356466091.db2.gz ZDRYAGOZFBORET-AWEZNQCLSA-N 0 0 314.393 2.037 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(-c2ccccc2C)nn1C ZINC000184559938 199732030 /nfs/dbraw/zinc/73/20/30/199732030.db2.gz BFWFWPWGRCIYJU-ZDUSSCGKSA-N 0 0 314.389 2.454 10 30 DEEERN CN1CCN(c2cncc(C#N)n2)C[C@@H]1c1ccccc1Cl ZINC000575603895 540250255 /nfs/dbraw/zinc/25/02/55/540250255.db2.gz RRCITUDNMDFIOD-OAHLLOKOSA-N 0 0 313.792 2.495 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cnc(OC)c(OC)c1 ZINC000626717505 366287943 /nfs/dbraw/zinc/28/79/43/366287943.db2.gz NCGJOSSSXHZFDQ-FZMZJTMJSA-N 0 0 321.377 2.202 10 30 DEEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCc1ccc(C#N)cc1 ZINC000081579717 192296019 /nfs/dbraw/zinc/29/60/19/192296019.db2.gz YPEWRJUCHQDYRQ-HNNXBMFYSA-N 0 0 309.373 2.042 10 30 DEEERN C=CCNC(=O)Cc1noc([C@H]2C[C@@H]2c2cccc(OC)c2)n1 ZINC000350694813 356558849 /nfs/dbraw/zinc/55/88/49/356558849.db2.gz NJHGRZZDVNNOSA-KGLIPLIRSA-N 0 0 313.357 2.194 10 30 DEEERN C=CCOCCCNC(=O)c1nn(-c2ccccc2)cc1OC ZINC000618517085 363513644 /nfs/dbraw/zinc/51/36/44/363513644.db2.gz IQTLNHKCCBPEFE-UHFFFAOYSA-N 0 0 315.373 2.203 10 30 DEEERN C[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1N ZINC000085917512 192539618 /nfs/dbraw/zinc/53/96/18/192539618.db2.gz FTKGZTUEZUQPPY-YPMHNXCESA-N 0 0 307.419 2.245 10 30 DEEERN N#Cc1cnc2c(F)c(F)c(F)cc2c1N1C[C@@H](O)C2(CC2)C1 ZINC000376433556 283239275 /nfs/dbraw/zinc/23/92/75/283239275.db2.gz HXYLUWGMDFGNLQ-LLVKDONJSA-N 0 0 319.286 2.485 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(OC)c2cccnc12 ZINC000580867903 357091515 /nfs/dbraw/zinc/09/15/15/357091515.db2.gz HVAIXYMMSWYMSC-LLVKDONJSA-N 0 0 301.346 2.302 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586860221 357378054 /nfs/dbraw/zinc/37/80/54/357378054.db2.gz XIRFVUNUPWSWOK-GFCCVEGCSA-N 0 0 317.364 2.175 10 30 DEEERN C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000585683687 357345620 /nfs/dbraw/zinc/34/56/20/357345620.db2.gz VIFRNVBYTFODCE-ABAIWWIYSA-N 0 0 317.364 2.008 10 30 DEEERN C[C@@H](C(=O)Nc1csc(-c2ccccc2)n1)n1cnc(C#N)n1 ZINC000588079684 357392016 /nfs/dbraw/zinc/39/20/16/357392016.db2.gz XNYQYNSROXREKE-JTQLQIEISA-N 0 0 324.369 2.473 10 30 DEEERN N#Cc1ccc(CNC(=O)NCc2cnn3ccccc23)c(F)c1 ZINC000588212038 357402059 /nfs/dbraw/zinc/40/20/59/357402059.db2.gz ZSDUMHUZQAWCAO-UHFFFAOYSA-N 0 0 323.331 2.344 10 30 DEEERN C=CCOC[C@H](N[C@H]1CCCc2ccccc2C1)C(=O)OC ZINC000590652740 357572741 /nfs/dbraw/zinc/57/27/41/357572741.db2.gz VAAZSLHLPQVCHH-IRXDYDNUSA-N 0 0 303.402 2.268 10 30 DEEERN CC#CC[C@H](CO)NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000592024843 357817288 /nfs/dbraw/zinc/81/72/88/357817288.db2.gz DMCOEHYSGFSIPG-IAGOWNOFSA-N 0 0 313.401 2.495 10 30 DEEERN C#CCCCCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000179668283 199073346 /nfs/dbraw/zinc/07/33/46/199073346.db2.gz QGHAZUIRMRSWBL-ZDUSSCGKSA-N 0 0 307.415 2.461 10 30 DEEERN CCCCOc1cccc(CNC(=O)Cn2ccnc2C#N)c1 ZINC000179885800 199091620 /nfs/dbraw/zinc/09/16/20/199091620.db2.gz CQAMTPDWWAAXEF-UHFFFAOYSA-N 0 0 312.373 2.250 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000276698665 213054022 /nfs/dbraw/zinc/05/40/22/213054022.db2.gz YUZFLXMATRXNEI-ZDUSSCGKSA-N 0 0 315.373 2.075 10 30 DEEERN C=CCn1c(-c2ccc(C#N)cc2)nnc1N(C[C@H](C)O)C1CC1 ZINC000594472866 358279242 /nfs/dbraw/zinc/27/92/42/358279242.db2.gz LNUPEBIWFVELKD-ZDUSSCGKSA-N 0 0 323.400 2.352 10 30 DEEERN C=CCCn1cc(CSCc2nnnn2C(C)(C)C)nn1 ZINC000594559207 358294025 /nfs/dbraw/zinc/29/40/25/358294025.db2.gz LWHCBHXBKMGVHY-UHFFFAOYSA-N 0 0 307.427 2.029 10 30 DEEERN C=CCCn1cc(CS[C@H](C)c2nc(COC)no2)nn1 ZINC000594560046 358294138 /nfs/dbraw/zinc/29/41/38/358294138.db2.gz ZIFPWMLBLGHVNO-SNVBAGLBSA-N 0 0 309.395 2.378 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180604484 199183651 /nfs/dbraw/zinc/18/36/51/199183651.db2.gz PROQTVQMXDGIIL-UHFFFAOYSA-N 0 0 301.390 2.042 10 30 DEEERN C=CCCSCCN1C(=O)N[C@@H](CC2(OC)CCC2)C1=O ZINC000594739427 358330603 /nfs/dbraw/zinc/33/06/03/358330603.db2.gz QVUKWQIWSSCOQP-LBPRGKRZSA-N 0 0 312.435 2.175 10 30 DEEERN C=CCCC1(CNS(=O)(=O)CCC(=O)OCC)CCCC1 ZINC000594798636 358339014 /nfs/dbraw/zinc/33/90/14/358339014.db2.gz IJGNFXQERACQIT-UHFFFAOYSA-N 0 0 317.451 2.386 10 30 DEEERN C=CCCS(=O)(=O)NC1(c2cccc(C#N)c2)CCOCC1 ZINC000594865947 358351314 /nfs/dbraw/zinc/35/13/14/358351314.db2.gz UBGFYCMBYWXDBV-UHFFFAOYSA-N 0 0 320.414 2.059 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000595074013 358386504 /nfs/dbraw/zinc/38/65/04/358386504.db2.gz VAZHUGHJSPMOIP-JSGCOSHPSA-N 0 0 312.373 2.143 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](CC(=O)OC)C1CC1 ZINC000595785840 358549533 /nfs/dbraw/zinc/54/95/33/358549533.db2.gz IYZYUIOALWKQLF-KFWWJZLASA-N 0 0 306.406 2.468 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)c1nc(CC(=O)OC(C)(C)C)no1 ZINC000596595268 358722256 /nfs/dbraw/zinc/72/22/56/358722256.db2.gz ZEZQRSAPINDSEI-LLVKDONJSA-N 0 0 309.366 2.097 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N2CC[C@](C)(C#N)C2)cc1 ZINC000596695925 358742001 /nfs/dbraw/zinc/74/20/01/358742001.db2.gz VWVCFBKTMXUYOR-QGZVFWFLSA-N 0 0 312.373 2.370 10 30 DEEERN C=CCCCN(C)C(=O)N[C@H](CC(=O)OCC)C(F)(F)F ZINC000597013867 358805557 /nfs/dbraw/zinc/80/55/57/358805557.db2.gz ZLXOOEIOCDAIPB-SNVBAGLBSA-N 0 0 310.316 2.478 10 30 DEEERN C=CCOc1ccc(CN2CCC[C@@]2(COC)C(=O)OC)cc1 ZINC000597221843 358859149 /nfs/dbraw/zinc/85/91/49/358859149.db2.gz UIUQGAPKKCCVRK-GOSISDBHSA-N 0 0 319.401 2.405 10 30 DEEERN C=CCn1c(Cc2ccccc2O)nnc1N(C)[C@H](C)CC#N ZINC000597282034 358877949 /nfs/dbraw/zinc/87/79/49/358877949.db2.gz MLAKQLYKMAHDPX-CYBMUJFWSA-N 0 0 311.389 2.499 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cnc(C(=O)OC)cn1 ZINC000597863524 359027987 /nfs/dbraw/zinc/02/79/87/359027987.db2.gz FYKFOGRFUWWTPQ-RYUDHWBXSA-N 0 0 303.362 2.128 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000597865023 359028918 /nfs/dbraw/zinc/02/89/18/359028918.db2.gz RHHMPORHHVVEGE-OLZOCXBDSA-N 0 0 319.361 2.008 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(F)c(Br)c1 ZINC000185775318 199885860 /nfs/dbraw/zinc/88/58/60/199885860.db2.gz NOCVZBAPCBDTNZ-SECBINFHSA-N 0 0 302.143 2.255 10 30 DEEERN CC(=O)N1CCC[C@@H](C(=O)NC(C)(C)c2cccc(C#N)c2)C1 ZINC000597952664 359051705 /nfs/dbraw/zinc/05/17/05/359051705.db2.gz QUOXOZTXLKGPJK-OAHLLOKOSA-N 0 0 313.401 2.168 10 30 DEEERN C=C[C@@](C)(O)CC(=O)NC[C@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000598581570 359248694 /nfs/dbraw/zinc/24/86/94/359248694.db2.gz RCMMLOGQMSTYAJ-SUMWQHHRSA-N 0 0 311.422 2.188 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000618936262 363643910 /nfs/dbraw/zinc/64/39/10/363643910.db2.gz JAKMOYHULVVZBM-KBMXLJTQSA-N 0 0 305.422 2.229 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000599360453 359477252 /nfs/dbraw/zinc/47/72/52/359477252.db2.gz NGTMLUMDYQRIPW-UHFFFAOYSA-N 0 0 317.432 2.415 10 30 DEEERN C=CCCCS(=O)(=O)NC[C@H](C(=O)OC)C1CCCCC1 ZINC000599447994 359501044 /nfs/dbraw/zinc/50/10/44/359501044.db2.gz MWTFAUCETHSEIA-AWEZNQCLSA-N 0 0 317.451 2.242 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)C1 ZINC000599374914 359481382 /nfs/dbraw/zinc/48/13/82/359481382.db2.gz NLSHOJHEPPHSQH-CYBMUJFWSA-N 0 0 323.414 2.368 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000599375324 359482441 /nfs/dbraw/zinc/48/24/41/359482441.db2.gz SAIPQKKASIFFPP-LBPRGKRZSA-N 0 0 310.375 2.323 10 30 DEEERN C=CCCSCCNC(=O)c1cc(S(C)(=O)=O)oc1C ZINC000600091100 359646747 /nfs/dbraw/zinc/64/67/47/359646747.db2.gz SEMYDYVHSUPCRO-UHFFFAOYSA-N 0 0 317.432 2.031 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2ccc(OCC(=O)OC)cc2)C1 ZINC000600212483 359691381 /nfs/dbraw/zinc/69/13/81/359691381.db2.gz DXOZAYOQZPSGPI-CYBMUJFWSA-N 0 0 303.358 2.277 10 30 DEEERN C=CCCO[C@@H](C)C(=O)NC[C@@H](C(=O)OC)C1CCCCC1 ZINC000600414514 359736975 /nfs/dbraw/zinc/73/69/75/359736975.db2.gz MUGJAHLICSHLAX-DZGCQCFKSA-N 0 0 311.422 2.453 10 30 DEEERN C=CC[C@H](C(=O)N1CC(NC(=O)C2CCC2)C1)c1ccccc1 ZINC000188282824 200220835 /nfs/dbraw/zinc/22/08/35/200220835.db2.gz UALPLDZUIWTGIF-KRWDZBQOSA-N 0 0 312.413 2.473 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cc(C)cnc1OC ZINC000627687300 366591450 /nfs/dbraw/zinc/59/14/50/366591450.db2.gz CRYNHAZCWABBCY-UHFFFAOYSA-N 0 0 305.378 2.056 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(F)c(OC)c1 ZINC000627686449 366591861 /nfs/dbraw/zinc/59/18/61/366591861.db2.gz KVUKKQAEWHDCQJ-UHFFFAOYSA-N 0 0 308.353 2.491 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2ccc(C(=O)OC)c(C)c2)C1=O ZINC000600949161 359868332 /nfs/dbraw/zinc/86/83/32/359868332.db2.gz ZYIQZOVPOGTCQE-ZDUSSCGKSA-N 0 0 302.330 2.173 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1 ZINC000600994975 359886321 /nfs/dbraw/zinc/88/63/21/359886321.db2.gz REOIMODGAIQHFP-FVQBIDKESA-N 0 0 317.385 2.168 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000627733308 366603702 /nfs/dbraw/zinc/60/37/02/366603702.db2.gz QUNKAOHHFMQGCS-LLVKDONJSA-N 0 0 319.430 2.385 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)N2CCc3cc(F)ccc32)C1 ZINC000627733181 366603732 /nfs/dbraw/zinc/60/37/32/366603732.db2.gz NEHUHEKKJWVWPE-LBPRGKRZSA-N 0 0 302.349 2.139 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)N(C)CC3)C1 ZINC000627734469 366604497 /nfs/dbraw/zinc/60/44/97/366604497.db2.gz UMDHXMNCHHBVRL-CYBMUJFWSA-N 0 0 313.401 2.042 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(OC)c(F)c2)C1 ZINC000627734781 366604690 /nfs/dbraw/zinc/60/46/90/366604690.db2.gz CBDUYQJDRGTMFG-SNVBAGLBSA-N 0 0 324.327 2.337 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3)c2)C1 ZINC000627734256 366605031 /nfs/dbraw/zinc/60/50/31/366605031.db2.gz OAZANFWAORBAKG-CQSZACIVSA-N 0 0 324.384 2.235 10 30 DEEERN C=CCC1(C(=O)NC2CC(N3CCOCC3)C2)CCCCC1 ZINC000627942013 366668143 /nfs/dbraw/zinc/66/81/43/366668143.db2.gz BKZYYOYHZXPBKZ-UHFFFAOYSA-N 0 0 306.450 2.492 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C(=O)OC)nn1C ZINC000601664566 360105552 /nfs/dbraw/zinc/10/55/52/360105552.db2.gz NMHWXDWUXGNPBX-RYUDHWBXSA-N 0 0 305.378 2.071 10 30 DEEERN C=C(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OC ZINC000601502183 360055558 /nfs/dbraw/zinc/05/55/58/360055558.db2.gz MNIMXAHWRJQKGL-GFCCVEGCSA-N 0 0 317.794 2.126 10 30 DEEERN C=C(C)C[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)C(=O)OC ZINC000601503165 360056543 /nfs/dbraw/zinc/05/65/43/360056543.db2.gz YXYBUZWOELHWEF-CQSZACIVSA-N 0 0 311.403 2.090 10 30 DEEERN C=CC[C@H](CC)NC(=O)NC[C@]1(C(=O)OCC)CCCOC1 ZINC000601609201 360086691 /nfs/dbraw/zinc/08/66/91/360086691.db2.gz VBBVLFSABKOQNV-XJKSGUPXSA-N 0 0 312.410 2.000 10 30 DEEERN C=CCC1(CNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)OC)O2)CCCC1 ZINC000601619031 360088741 /nfs/dbraw/zinc/08/87/41/360088741.db2.gz ISRGZWAXYUAQPT-MGPQQGTHSA-N 0 0 309.406 2.206 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2S1)C(=O)OC ZINC000601777195 360143669 /nfs/dbraw/zinc/14/36/69/360143669.db2.gz FIHPJQZEOJQISD-OCCSQVGLSA-N 0 0 305.399 2.327 10 30 DEEERN COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000189361164 200388270 /nfs/dbraw/zinc/38/82/70/200388270.db2.gz BFVKVIWKBJFPAH-KCXAZCMYSA-N 0 0 302.374 2.129 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(OC)cc1)C(=O)OC ZINC000601780348 360144369 /nfs/dbraw/zinc/14/43/69/360144369.db2.gz XEILHSGRKBBVDI-SWLSCSKDSA-N 0 0 321.373 2.087 10 30 DEEERN C=C(C)C[C@H](NC(=O)C1=Cc2ccccc2OC1)C(=O)OC ZINC000601780463 360144419 /nfs/dbraw/zinc/14/44/19/360144419.db2.gz YMUDUYONUPUZRI-AWEZNQCLSA-N 0 0 301.342 2.086 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cc1c[nH]c2ccc(F)cc12)C(=O)OC ZINC000601782963 360146851 /nfs/dbraw/zinc/14/68/51/360146851.db2.gz TXYNRJWOQWIWNP-HNNXBMFYSA-N 0 0 318.348 2.474 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(F)c(F)c(F)c1)C(=O)OC ZINC000601786030 360149419 /nfs/dbraw/zinc/14/94/19/360149419.db2.gz OZYHZLYWVZPSBV-LLVKDONJSA-N 0 0 301.264 2.342 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc2cc(OC)ccc2[nH]1)C(=O)OC ZINC000601786126 360149466 /nfs/dbraw/zinc/14/94/66/360149466.db2.gz FLPXUMQCBVENQB-HNNXBMFYSA-N 0 0 316.357 2.414 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(C)n([C@@H](C)C2CC2)n1)C(=O)OC ZINC000601787728 360150626 /nfs/dbraw/zinc/15/06/26/360150626.db2.gz NPIIDYZQWYQFDQ-SWLSCSKDSA-N 0 0 319.405 2.400 10 30 DEEERN C=C(C)C[C@@H](NC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C)C(=O)OC ZINC000601788994 360151365 /nfs/dbraw/zinc/15/13/65/360151365.db2.gz ZKTZFYGPQYXGLP-HZSPNIEDSA-N 0 0 309.406 2.252 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H](C#N)CCc1ccccc1)C(=O)OC ZINC000601788698 360151503 /nfs/dbraw/zinc/15/15/03/360151503.db2.gz WSYCAOPZAXZGQD-JKSUJKDBSA-N 0 0 314.385 2.383 10 30 DEEERN C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC000601853899 360175646 /nfs/dbraw/zinc/17/56/46/360175646.db2.gz GVJZEJMVDWCJNR-BARDWOONSA-N 0 0 315.421 2.485 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602048572 360250492 /nfs/dbraw/zinc/25/04/92/360250492.db2.gz BSZBJJRRDUJYGF-GASCZTMLSA-N 0 0 313.332 2.345 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000602333148 360342877 /nfs/dbraw/zinc/34/28/77/360342877.db2.gz LSPPRBHDCUSODN-TUVASFSCSA-N 0 0 324.421 2.093 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cccnc1OC(C)C)C(=O)OC ZINC000602415569 360362201 /nfs/dbraw/zinc/36/22/01/360362201.db2.gz RLCYTIGGTTXPQS-ZDUSSCGKSA-N 0 0 306.362 2.106 10 30 DEEERN CC(=O)N1CCC[C@H]1C(=O)N(CC#N)c1ccc(F)cc1C ZINC000602391703 360355865 /nfs/dbraw/zinc/35/58/65/360355865.db2.gz DUIKDHJVHNLCJL-HNNXBMFYSA-N 0 0 303.337 2.002 10 30 DEEERN C=C(C)C[C@H](NCc1cc(C(=O)OC)c(CC)o1)C(=O)OC ZINC000602734021 360525892 /nfs/dbraw/zinc/52/58/92/360525892.db2.gz MKXJHPRCVFVZIS-ZDUSSCGKSA-N 0 0 309.362 2.226 10 30 DEEERN C=C(C)C[C@H](NCc1ccncc1Br)C(=O)OC ZINC000602737980 360528672 /nfs/dbraw/zinc/52/86/72/360528672.db2.gz FBKNFSUGVVFHSF-LBPRGKRZSA-N 0 0 313.195 2.442 10 30 DEEERN C=C(C)C[C@@H](NCc1ccncc1Br)C(=O)OC ZINC000602737979 360528899 /nfs/dbraw/zinc/52/88/99/360528899.db2.gz FBKNFSUGVVFHSF-GFCCVEGCSA-N 0 0 313.195 2.442 10 30 DEEERN CC#CC[C@H](CO)NC(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000627977456 366682652 /nfs/dbraw/zinc/68/26/52/366682652.db2.gz PSADTDMWVVWTJY-UCDYDWOKSA-N 0 0 303.789 2.116 10 30 DEEERN C=CCCSCCNC(=O)Nc1cccc2c1NC(=O)CO2 ZINC000603163689 360729179 /nfs/dbraw/zinc/72/91/79/360729179.db2.gz APHWTLONQRCNOE-UHFFFAOYSA-N 0 0 321.402 2.448 10 30 DEEERN C=CCCC[C@H](C)n1cc(CN2CCC[C@H]2C(=O)OC)nn1 ZINC000603265208 360769860 /nfs/dbraw/zinc/76/98/60/360769860.db2.gz NCVCWBAEBLUAHP-ZFWWWQNUSA-N 0 0 306.410 2.333 10 30 DEEERN C=CCSc1nnc(NN=Cc2ccc(O)c(OC)c2)[nH]1 ZINC000006127040 181315027 /nfs/dbraw/zinc/31/50/27/181315027.db2.gz SAZNSSMFTLIZRK-RIYZIHGNSA-N 0 0 305.363 2.243 10 30 DEEERN N#Cc1cccc(/C=C\c2nc(CC(=O)N3CCCC3)no2)c1 ZINC000445363477 238469334 /nfs/dbraw/zinc/46/93/34/238469334.db2.gz IXKPUSOHJYRFCI-SREVYHEPSA-N 0 0 308.341 2.277 10 30 DEEERN COC(=O)c1ccc(C(=O)NCc2ccc(C#N)cc2F)s1 ZINC000609228662 361290581 /nfs/dbraw/zinc/29/05/81/361290581.db2.gz BLCDNIBUSMBOEP-UHFFFAOYSA-N 0 0 318.329 2.475 10 30 DEEERN C=CC(C)(C)CCNC(=O)Cc1csc(N2CCOCC2)n1 ZINC000628313082 366806411 /nfs/dbraw/zinc/80/64/11/366806411.db2.gz BIURATSPAHNVNP-UHFFFAOYSA-N 0 0 323.462 2.241 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000628312262 366806532 /nfs/dbraw/zinc/80/65/32/366806532.db2.gz VKXJNSKCCZZQEI-GFCCVEGCSA-N 0 0 314.385 2.390 10 30 DEEERN COC(=O)C(C)(C)[C@@H](NC(=O)CSCC#N)c1ccccc1 ZINC000610823444 361472825 /nfs/dbraw/zinc/47/28/25/361472825.db2.gz CKNIILSUHIZSEX-AWEZNQCLSA-N 0 0 320.414 2.300 10 30 DEEERN N#C[C@H](NC(=O)c1ccnnc1)c1ccccc1Br ZINC000611186231 361542897 /nfs/dbraw/zinc/54/28/97/361542897.db2.gz QLXARPGMHPCAJP-LBPRGKRZSA-N 0 0 317.146 2.234 10 30 DEEERN C=CCOCCNC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000611547751 361628691 /nfs/dbraw/zinc/62/86/91/361628691.db2.gz SCODVAQPBFZSBT-UHFFFAOYSA-N 0 0 319.430 2.289 10 30 DEEERN C=CCOCCNC(=O)CSCc1cn2cc(C)ccc2n1 ZINC000611560132 361632565 /nfs/dbraw/zinc/63/25/65/361632565.db2.gz VQRPMBCVAXLYAY-UHFFFAOYSA-N 0 0 319.430 2.195 10 30 DEEERN C=CCOCCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000611564294 361632621 /nfs/dbraw/zinc/63/26/21/361632621.db2.gz LVVMZHHNVVSMGK-UHFFFAOYSA-N 0 0 307.350 2.332 10 30 DEEERN C=CCOCCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000611541500 361625621 /nfs/dbraw/zinc/62/56/21/361625621.db2.gz MUURHWBDWAQUOP-UHFFFAOYSA-N 0 0 305.334 2.102 10 30 DEEERN CC(C)(C#N)CNC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000611620413 361646631 /nfs/dbraw/zinc/64/66/31/361646631.db2.gz XWXVKOGSSBYOQV-UHFFFAOYSA-N 0 0 302.378 2.194 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC1(CCOC)CC1 ZINC000611664575 361653998 /nfs/dbraw/zinc/65/39/98/361653998.db2.gz BVOHNGSILFGAKK-LSDHHAIUSA-N 0 0 322.449 2.170 10 30 DEEERN N=C(N)NN=Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000006454652 181341951 /nfs/dbraw/zinc/34/19/51/181341951.db2.gz RCXPUJWOBYOJJW-GIJQJNRQSA-N 0 0 310.386 2.208 10 30 DEEERN COc1cc2c(cc1OC)CN(C(=O)c1ccnc(C#N)c1)CC2 ZINC000195007021 201325709 /nfs/dbraw/zinc/32/57/09/201325709.db2.gz ILZYBCLCUNTYCE-UHFFFAOYSA-N 0 0 323.352 2.169 10 30 DEEERN C=C[C@@H](O)C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000611868569 361697889 /nfs/dbraw/zinc/69/78/89/361697889.db2.gz DLZBVXNUKKWAFX-CHWSQXEVSA-N 0 0 315.291 2.152 10 30 DEEERN C=CCOc1cccnc1C(=O)Nc1ccc(C(=O)OC)nc1 ZINC000611888066 361700915 /nfs/dbraw/zinc/70/09/15/361700915.db2.gz KTFXYHOZBDYTIL-UHFFFAOYSA-N 0 0 313.313 2.080 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CS[C@@H](C)C1 ZINC000611961448 361713789 /nfs/dbraw/zinc/71/37/89/361713789.db2.gz IRFPGOSMWITYBU-DGAVXFQQSA-N 0 0 310.463 2.248 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc(C)cn1 ZINC000612021201 361726197 /nfs/dbraw/zinc/72/61/97/361726197.db2.gz HPMFWFDRBAIDOU-GDBMZVCRSA-N 0 0 315.417 2.257 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1OC ZINC000612033266 361727459 /nfs/dbraw/zinc/72/74/59/361727459.db2.gz KEFAIAARETWSKV-QKPAOTATSA-N 0 0 322.449 2.311 10 30 DEEERN C=CCN1CC[C@H](N(C)c2cc(C#N)nc3ccccc32)C1=O ZINC000619588669 363835177 /nfs/dbraw/zinc/83/51/77/363835177.db2.gz SSBFISMIVJMHEJ-INIZCTEOSA-N 0 0 306.369 2.330 10 30 DEEERN C=C[C@H](NCc1cc(F)cc(Br)c1)C(=O)OC ZINC000619700619 363858551 /nfs/dbraw/zinc/85/85/51/363858551.db2.gz DSWJCFPIAPJQOC-NSHDSACASA-N 0 0 302.143 2.405 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000620314551 364014196 /nfs/dbraw/zinc/01/41/96/364014196.db2.gz KSDFACVWCMUASJ-OAGGEKHMSA-N 0 0 302.418 2.345 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1S(C)(=O)=O ZINC000620313866 364013874 /nfs/dbraw/zinc/01/38/74/364013874.db2.gz GWLBTXLWGXSICO-BETUJISGSA-N 0 0 305.399 2.413 10 30 DEEERN C=CC(C)(C)C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000620725931 364136272 /nfs/dbraw/zinc/13/62/72/364136272.db2.gz AMZZEAZSNYEPHD-QGZVFWFLSA-N 0 0 315.461 2.131 10 30 DEEERN C=C[C@](C)(O)C(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000621374651 364381124 /nfs/dbraw/zinc/38/11/24/364381124.db2.gz LPBDDAYUUZEYJB-HNNXBMFYSA-N 0 0 309.435 2.251 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CNC(=O)c2ccc(C)c(C)c2)C1 ZINC000628482805 366863981 /nfs/dbraw/zinc/86/39/81/366863981.db2.gz YXFNJLUTHNFSGG-HNNXBMFYSA-N 0 0 300.402 2.458 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C ZINC000248500189 202741675 /nfs/dbraw/zinc/74/16/75/202741675.db2.gz NFRZEVXTBQQWGA-RAIGVLPGSA-N 0 0 320.364 2.087 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C[C@@H]2Oc3ccccc3NC2=O)C1 ZINC000628484794 366864266 /nfs/dbraw/zinc/86/42/66/366864266.db2.gz VJPDXSXQKWXUEY-DOMZBBRYSA-N 0 0 300.358 2.201 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C1 ZINC000628487926 366865051 /nfs/dbraw/zinc/86/50/51/366865051.db2.gz OJCKYJYBGXPCFM-CYBMUJFWSA-N 0 0 324.384 2.009 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Cc2nnc(-c3ccccc3)n2C)C1 ZINC000628491524 366865202 /nfs/dbraw/zinc/86/52/02/366865202.db2.gz ABZZIDWJLQFNTP-CQSZACIVSA-N 0 0 310.401 2.449 10 30 DEEERN COC(=O)[C@@H]1CCCCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000176394620 291320856 /nfs/dbraw/zinc/32/08/56/291320856.db2.gz JUGUOKVKTKIPTB-LBPRGKRZSA-N 0 0 308.284 2.004 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCc2nc(C(C)C)ncc2C1 ZINC000623253061 364946049 /nfs/dbraw/zinc/94/60/49/364946049.db2.gz NKSSRMFVSVMJNX-CYBMUJFWSA-N 0 0 303.406 2.466 10 30 DEEERN C[C@H](NC(=O)c1ccncc1C#CCCO)c1cccs1 ZINC000091457743 193058586 /nfs/dbraw/zinc/05/85/86/193058586.db2.gz OMUZSBJBNRNBEG-LBPRGKRZSA-N 0 0 300.383 2.368 10 30 DEEERN N#C[C@H]1CNCCN1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000091748176 193101534 /nfs/dbraw/zinc/10/15/34/193101534.db2.gz ZGYMBVBYEMPKAP-ZDUSSCGKSA-N 0 0 302.765 2.292 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000624306898 365375895 /nfs/dbraw/zinc/37/58/95/365375895.db2.gz STEAMOCSYFXPGP-CAOSSQGBSA-N 0 0 309.454 2.092 10 30 DEEERN C[C@H]1CCCN(C(=O)N(C)Cc2csc(C#CCO)c2)C1 ZINC000091992323 193138307 /nfs/dbraw/zinc/13/83/07/193138307.db2.gz IQIKPZOSCJVTMK-ZDUSSCGKSA-N 0 0 306.431 2.376 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NCc1cnc2cnc(Br)cn12 ZINC000092049988 193147898 /nfs/dbraw/zinc/14/78/98/193147898.db2.gz GDODKEMPNQHGSD-GXSJLCMTSA-N 0 0 320.194 2.274 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000449867974 241192740 /nfs/dbraw/zinc/19/27/40/241192740.db2.gz JDMVUWFZTHLNBI-CQSZACIVSA-N 0 0 308.385 2.296 10 30 DEEERN CCc1ccc([C@H]2COCCN2C(=O)c2ccc(C#N)n2C)o1 ZINC000449899595 241227418 /nfs/dbraw/zinc/22/74/18/241227418.db2.gz RYIBQAHYNKLNLA-OAHLLOKOSA-N 0 0 313.357 2.266 10 30 DEEERN C=CCc1cc(C(=O)N2CC3(C2)CCCO3)cc(OC)c1OC ZINC000628785259 366968627 /nfs/dbraw/zinc/96/86/27/366968627.db2.gz TVGJZJAFLZHUEF-UHFFFAOYSA-N 0 0 317.385 2.437 10 30 DEEERN CN(Cc1cccc(C#N)c1)C(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC000275323010 212271902 /nfs/dbraw/zinc/27/19/02/212271902.db2.gz PZDQZZUUTUBYDT-OAHLLOKOSA-N 0 0 324.384 2.068 10 30 DEEERN C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc(C#N)n1C ZINC000450312239 241673143 /nfs/dbraw/zinc/67/31/43/241673143.db2.gz LHPQVXYPMZRQPI-JTQLQIEISA-N 0 0 301.371 2.350 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CCO[C@@](C)(COC)C1 ZINC000629907850 367372373 /nfs/dbraw/zinc/37/23/73/367372373.db2.gz QWJCDHZJTRGBIC-QGZVFWFLSA-N 0 0 305.374 2.129 10 30 DEEERN C=CCC[C@H](CO)Nc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000450898473 242365624 /nfs/dbraw/zinc/36/56/24/242365624.db2.gz RGJZIVFPKDUEDX-LLVKDONJSA-N 0 0 308.334 2.429 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cccc(N(C)C(C)=O)c2)C1=O ZINC000630506075 367694697 /nfs/dbraw/zinc/69/46/97/367694697.db2.gz LWPLWRFIZVUBFR-AWEZNQCLSA-N 0 0 301.346 2.060 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2cccc(Cn3cccn3)c2)C1=O ZINC000630967287 367941480 /nfs/dbraw/zinc/94/14/80/367941480.db2.gz JJQFPYANKLPLMG-MRXNPFEDSA-N 0 0 324.384 2.318 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccc(N(CC)CC)nc2)C1=O ZINC000630967996 367941632 /nfs/dbraw/zinc/94/16/32/367941632.db2.gz REONNHIDJPWLBO-CQSZACIVSA-N 0 0 316.405 2.314 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCc2ccc(NC(C)=O)cc2)C1=O ZINC000630970082 367942595 /nfs/dbraw/zinc/94/25/95/367942595.db2.gz KRZDBDYIBAQNDO-OAHLLOKOSA-N 0 0 315.373 2.074 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCCN2CCc3ccccc32)C1=O ZINC000630970884 367942668 /nfs/dbraw/zinc/94/26/68/367942668.db2.gz PSLRSTHHDDNLFF-HNNXBMFYSA-N 0 0 313.401 2.326 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@@H]2OCCc3ccccc32)C1=O ZINC000630972079 367944255 /nfs/dbraw/zinc/94/42/55/367944255.db2.gz FUSFOIWCIKEWDL-CABCVRRESA-N 0 0 300.358 2.187 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCOc2ncccc2Cl)C1=O ZINC000630979818 367948369 /nfs/dbraw/zinc/94/83/69/367948369.db2.gz WCPGRZDJGBYOBL-NSHDSACASA-N 0 0 309.753 2.000 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2COc3ccc(F)cc3C2)C1=O ZINC000630980855 367948584 /nfs/dbraw/zinc/94/85/84/367948584.db2.gz CHQYGUYKQNLOPT-OLZOCXBDSA-N 0 0 304.321 2.016 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2CCO[C@@H](c3ccccn3)C2)C1=O ZINC000630982902 367949365 /nfs/dbraw/zinc/94/93/65/367949365.db2.gz MZHPYBITZROQBA-VHDGCEQUSA-N 0 0 315.373 2.188 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@@H](c2ccnn2C)C(C)C)C1=O ZINC000630983937 367949463 /nfs/dbraw/zinc/94/94/63/367949463.db2.gz XUSOMBKUNZMPRC-CHWSQXEVSA-N 0 0 304.394 2.046 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H]2Cc3ccccc3CO2)C1=O ZINC000630986963 367951600 /nfs/dbraw/zinc/95/16/00/367951600.db2.gz TVGNVONACOYMRD-GJZGRUSLSA-N 0 0 300.358 2.015 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@@H](OC)c2cccc(OC)c2)C1=O ZINC000630985879 367952202 /nfs/dbraw/zinc/95/22/02/367952202.db2.gz LLCALJRYBKROKT-HUUCEWRRSA-N 0 0 318.373 2.269 10 30 DEEERN C=CCc1cc(OC)ccc1OC[C@@H](O)CC1(O)CCOCC1 ZINC000631001370 367961128 /nfs/dbraw/zinc/96/11/28/367961128.db2.gz KPQQWFJMDSULRT-HNNXBMFYSA-N 0 0 322.401 2.095 10 30 DEEERN CC(=O)c1cccc(NC(=O)N2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000631467717 368239486 /nfs/dbraw/zinc/23/94/86/368239486.db2.gz AQYBHBMRNOZGLR-CHWSQXEVSA-N 0 0 314.389 2.339 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC[C@H](C)CCO ZINC000452248168 244071604 /nfs/dbraw/zinc/07/16/04/244071604.db2.gz ORUHGEHXVNNBRG-WMLDXEAASA-N 0 0 318.417 2.486 10 30 DEEERN C=C[C@](C)(CC)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000452256184 244076084 /nfs/dbraw/zinc/07/60/84/244076084.db2.gz STIPWOZNSOUWIM-MLGOLLRUSA-N 0 0 307.415 2.276 10 30 DEEERN Cn1nc(-c2ccccc2)c(CN2CCO[C@H](C#N)C2)c1Cl ZINC000093136316 193207213 /nfs/dbraw/zinc/20/72/13/193207213.db2.gz QVPZAOKIADGOEO-CYBMUJFWSA-N 0 0 316.792 2.465 10 30 DEEERN CC#CCN(C)C(=O)c1ccc(C)c(C(=O)N(C)CC#CC)c1 ZINC000452550177 244380531 /nfs/dbraw/zinc/38/05/31/244380531.db2.gz CFNSKDQFBOTSKC-UHFFFAOYSA-N 0 0 310.397 2.186 10 30 DEEERN CCCC(C#N)(CCC)C(=O)NCC(C)(C)S(C)(=O)=O ZINC000093526207 193263826 /nfs/dbraw/zinc/26/38/26/193263826.db2.gz AVHSVFBLAJZRKP-UHFFFAOYSA-N 0 0 302.440 2.036 10 30 DEEERN CCCN[C@]1(C#N)CCC[C@@H](Sc2nc(C)cc(=O)[nH]2)C1 ZINC000093746980 193300166 /nfs/dbraw/zinc/30/01/66/193300166.db2.gz JAOPPFFFLHGPDZ-IUODEOHRSA-N 0 0 306.435 2.375 10 30 DEEERN CCN[C@@]1(C#N)CC[C@H](Sc2nnnn2C2CCCC2)C1 ZINC000093806338 193309170 /nfs/dbraw/zinc/30/91/70/193309170.db2.gz LJLHYPJKGBRPGU-JSGCOSHPSA-N 0 0 306.439 2.305 10 30 DEEERN CCN[C@]1(C#N)CC[C@H](Sc2nnnn2C2CCCC2)C1 ZINC000093806337 193309215 /nfs/dbraw/zinc/30/92/15/193309215.db2.gz LJLHYPJKGBRPGU-GXTWGEPZSA-N 0 0 306.439 2.305 10 30 DEEERN O=C(NCc1cc(F)ccc1F)c1csc(C#CCO)c1 ZINC000093975185 193332600 /nfs/dbraw/zinc/33/26/00/193332600.db2.gz WMVJCMUTSNNBRN-UHFFFAOYSA-N 0 0 307.321 2.300 10 30 DEEERN CC(C)(C)OC(=O)N1CCCCC[C@H]1[C@H](C#N)S(C)(=O)=O ZINC000094711599 193393207 /nfs/dbraw/zinc/39/32/07/193393207.db2.gz IXIZOVPVMQHDSF-RYUDHWBXSA-N 0 0 316.423 2.103 10 30 DEEERN Cc1cc(C(=O)NCCc2cccs2)sc1C#CCO ZINC000094533616 193377395 /nfs/dbraw/zinc/37/73/95/193377395.db2.gz CUDGVFSFDIGQQS-UHFFFAOYSA-N 0 0 305.424 2.434 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC#Cc1ccc(F)cc1 ZINC000191223687 284205952 /nfs/dbraw/zinc/20/59/52/284205952.db2.gz VRNSHEBEUVBSQH-OIISXLGYSA-N 0 0 301.361 2.451 10 30 DEEERN COc1ccccc1C#CCNC(=O)c1cnc2ccccc2n1 ZINC000096345835 193615085 /nfs/dbraw/zinc/61/50/85/193615085.db2.gz BXMJTFHTVCBFCB-UHFFFAOYSA-N 0 0 317.348 2.420 10 30 DEEERN C=C(C)Cn1c(N(C)CCCOC)nnc1[C@@]1(C)CCCO1 ZINC000453470641 245156510 /nfs/dbraw/zinc/15/65/10/245156510.db2.gz QODASPSOPSUOCC-MRXNPFEDSA-N 0 0 308.426 2.353 10 30 DEEERN CCOc1c(Cl)cc(/C=N/NC(=S)NC)cc1OC ZINC000007944001 181510274 /nfs/dbraw/zinc/51/02/74/181510274.db2.gz IKWUJBUIHHBMCF-VIZOYTHASA-N 0 0 301.799 2.175 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)COc1cccc(C=O)c1 ZINC000264846304 204205920 /nfs/dbraw/zinc/20/59/20/204205920.db2.gz AYXCOEWLBJQYGH-UHFFFAOYSA-N 0 0 301.264 2.455 10 30 DEEERN C#CCCNC(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000265106973 204399828 /nfs/dbraw/zinc/39/98/28/204399828.db2.gz YNVZHSGRNYEASC-UHFFFAOYSA-N 0 0 323.799 2.330 10 30 DEEERN C=C(C)COc1ccc([C@]2(C)NC(=O)N(COC)C2=O)cc1 ZINC000096546636 193677584 /nfs/dbraw/zinc/67/75/84/193677584.db2.gz IPIICEAOQBTZTR-INIZCTEOSA-N 0 0 304.346 2.012 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc(Br)cn1 ZINC000266239349 205208255 /nfs/dbraw/zinc/20/82/55/205208255.db2.gz ZNFMQHPXSMUEHG-UHFFFAOYSA-N 0 0 319.224 2.431 10 30 DEEERN CN(C[C@@H]1CCCO1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160780859 197438076 /nfs/dbraw/zinc/43/80/76/197438076.db2.gz LFNMSIYERFDVBM-NSHDSACASA-N 0 0 314.794 2.011 10 30 DEEERN C=CCOc1cccc(NC(=O)N2CC[C@](O)(C(F)F)C2)c1 ZINC000454580415 245949117 /nfs/dbraw/zinc/94/91/17/245949117.db2.gz NWUJHSOSMOGENH-OAHLLOKOSA-N 0 0 312.316 2.485 10 30 DEEERN CC#CCN(C)C(=O)N[C@H](c1c(C)nn(C)c1C)C(F)(F)F ZINC000455078025 246366384 /nfs/dbraw/zinc/36/63/84/246366384.db2.gz UAUUTIQTZICWPQ-GFCCVEGCSA-N 0 0 316.327 2.305 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)NCC[C@](C)(O)COC ZINC000455207146 246447885 /nfs/dbraw/zinc/44/78/85/246447885.db2.gz PDUPGCXJDDBKFK-HNNXBMFYSA-N 0 0 312.435 2.233 10 30 DEEERN O=C1C(Br)=C[C@H]2CC1=CC(Br)C2=O ZINC000100664022 193803333 /nfs/dbraw/zinc/80/33/33/193803333.db2.gz ASYLJHLYFKEGHB-SYDPRGILSA-N 0 0 305.953 2.332 10 30 DEEERN C=CCC[C@H](CO)NC(=O)COc1cccc2c1OC(C)(C)C2 ZINC000456762402 247406863 /nfs/dbraw/zinc/40/68/63/247406863.db2.gz ZXFSPADMEXGPOE-CQSZACIVSA-N 0 0 319.401 2.222 10 30 DEEERN C=CCCCC(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000457120710 247621516 /nfs/dbraw/zinc/62/15/16/247621516.db2.gz DPLHULHVIOZBGY-LBPRGKRZSA-N 0 0 307.419 2.172 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)C(=O)NCCc1ccccc1 ZINC000457280009 247711341 /nfs/dbraw/zinc/71/13/41/247711341.db2.gz PXZRCCXHVRNZEB-LSDHHAIUSA-N 0 0 302.418 2.452 10 30 DEEERN C=CCC[C@H](C(=O)N1CCC[C@](O)(CO)C1)c1ccccc1 ZINC000457958936 248092217 /nfs/dbraw/zinc/09/22/17/248092217.db2.gz NGJOEJKEEFHCPK-FUHWJXTLSA-N 0 0 303.402 2.082 10 30 DEEERN C=C(C)COCCNC(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000458596874 248391844 /nfs/dbraw/zinc/39/18/44/248391844.db2.gz ZVQHRCZKMQLWED-UHFFFAOYSA-N 0 0 310.438 2.306 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)NCCc1cccc2[nH]ccc21 ZINC000458749335 248468023 /nfs/dbraw/zinc/46/80/23/248468023.db2.gz SJLMNZAFKGYFBD-AWEZNQCLSA-N 0 0 301.390 2.337 10 30 DEEERN C=CCNC(=O)c1cc2ccc(OC(=O)C(C)C)cc2oc1=O ZINC000040891025 183146164 /nfs/dbraw/zinc/14/61/64/183146164.db2.gz JFHIMMVTOJPOQF-UHFFFAOYSA-N 0 0 315.325 2.270 10 30 DEEERN CCc1ccc([C@@H](C#N)N2CCN(C(=O)N(C)C)CC2)cc1 ZINC000041260941 183182238 /nfs/dbraw/zinc/18/22/38/183182238.db2.gz ULAQDHXMZUFSLC-MRXNPFEDSA-N 0 0 300.406 2.113 10 30 DEEERN Cc1ccc([C@H](C#N)N2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC000041258743 183182350 /nfs/dbraw/zinc/18/23/50/183182350.db2.gz AMTXLDNUYCFJNP-SFHVURJKSA-N 0 0 320.396 2.413 10 30 DEEERN CC[C@H](C#N)NS(=O)(=O)c1sccc1Br ZINC000042524367 183280051 /nfs/dbraw/zinc/28/00/51/183280051.db2.gz SDNSIOMLJKTWFC-ZCFIWIBFSA-N 0 0 309.210 2.091 10 30 DEEERN CCN(Cc1cc(C#CCO)ccc1OC)CC(F)(F)F ZINC000042780181 183308626 /nfs/dbraw/zinc/30/86/26/183308626.db2.gz ZXAALONAUWZTJA-UHFFFAOYSA-N 0 0 301.308 2.423 10 30 DEEERN CN(CC(F)(F)F)C(=O)c1ccc(C#CCCO)c(F)c1 ZINC000043582168 183373516 /nfs/dbraw/zinc/37/35/16/183373516.db2.gz FPEOZSNOCRIBPD-UHFFFAOYSA-N 0 0 303.255 2.194 10 30 DEEERN Cc1cnn([C@@H]2CCCN(C(=O)COc3ccccc3C#N)C2)c1 ZINC000105857507 194147922 /nfs/dbraw/zinc/14/79/22/194147922.db2.gz ILIKSNDQENYBNE-MRXNPFEDSA-N 0 0 324.384 2.306 10 30 DEEERN C=C(Br)CN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105909577 194166556 /nfs/dbraw/zinc/16/65/56/194166556.db2.gz AXFHZLMMXXHQJS-GFCCVEGCSA-N 0 0 311.227 2.286 10 30 DEEERN Cc1cc(C#N)nc(N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)n1 ZINC000552952252 291729179 /nfs/dbraw/zinc/72/91/79/291729179.db2.gz XVLYLYRKWIAFAA-HUUCEWRRSA-N 0 0 305.385 2.229 10 30 DEEERN Cc1ccc(NS(=O)(=O)C2CCCCC2)cc1C#CCO ZINC000109435532 194262647 /nfs/dbraw/zinc/26/26/47/194262647.db2.gz KBWGJWRMABDWBY-UHFFFAOYSA-N 0 0 307.415 2.413 10 30 DEEERN C#CCN[C@@](C)(C(=O)OCC)c1ccc(Br)cc1 ZINC000051965249 183844086 /nfs/dbraw/zinc/84/40/86/183844086.db2.gz DZNUTONKIGBLEC-CQSZACIVSA-N 0 0 310.191 2.450 10 30 DEEERN CNC(=O)c1ccc(CN(C)C(=O)Cc2cccc(C#N)c2)cc1 ZINC000530670112 269698818 /nfs/dbraw/zinc/69/88/18/269698818.db2.gz UHWXVTCISPZWDB-UHFFFAOYSA-N 0 0 321.380 2.119 10 30 DEEERN C[C@@H](NC(=O)c1cncc(C#CCCO)c1)c1ccsc1 ZINC000061371706 184169777 /nfs/dbraw/zinc/16/97/77/184169777.db2.gz CBVHBNCNQWPVCL-GFCCVEGCSA-N 0 0 300.383 2.368 10 30 DEEERN OCC#Cc1ccsc1CSc1nnc2ccccn21 ZINC000061407676 184170147 /nfs/dbraw/zinc/17/01/47/184170147.db2.gz NWOWTBWAHKQUQX-UHFFFAOYSA-N 0 0 301.396 2.427 10 30 DEEERN CC[C@@H](NC(=O)c1ccc(C#CCO)cn1)c1cccs1 ZINC000061862556 184190031 /nfs/dbraw/zinc/19/00/31/184190031.db2.gz GOXPRYZCWTZFTA-CYBMUJFWSA-N 0 0 300.383 2.368 10 30 DEEERN CCCS(=O)(=O)Nc1cc(C#CCCO)ccc1Cl ZINC000061691849 184183093 /nfs/dbraw/zinc/18/30/93/184183093.db2.gz NYFIOENAPARSAL-UHFFFAOYSA-N 0 0 301.795 2.226 10 30 DEEERN C[C@@H]1CCc2c(C#N)c(NC(=O)c3n[nH]cc3N)sc2C1 ZINC000062811204 184253518 /nfs/dbraw/zinc/25/35/18/184253518.db2.gz BIEAWOHYMPRWMZ-SSDOTTSWSA-N 0 0 301.375 2.302 10 30 DEEERN CCN(c1cccc(N)c1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000063107823 184271339 /nfs/dbraw/zinc/27/13/39/184271339.db2.gz HGVVVHVKOKRSNY-UHFFFAOYSA-N 0 0 301.371 2.356 10 30 DEEERN N#Cc1ncn(Cc2ccc(Br)cc2N)c1C#N ZINC000162060387 197539664 /nfs/dbraw/zinc/53/96/64/197539664.db2.gz OZSXSGKNJQHHAF-UHFFFAOYSA-N 0 0 302.135 2.019 10 30 DEEERN C#CCn1ncc(NC2(CC)CCC2)c(Br)c1=O ZINC000158748971 197298444 /nfs/dbraw/zinc/29/84/44/197298444.db2.gz UIZSLLGFPOOJRW-UHFFFAOYSA-N 0 0 310.195 2.384 10 30 DEEERN CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc(N)cc2C#N)C1 ZINC000158165975 197249430 /nfs/dbraw/zinc/24/94/30/197249430.db2.gz KKRIDGZEVISAMK-GFCCVEGCSA-N 0 0 307.419 2.197 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000183987252 335052247 /nfs/dbraw/zinc/05/22/47/335052247.db2.gz XCCYJRNARDHLOM-ZDUSSCGKSA-N 0 0 310.781 2.011 10 30 DEEERN COC(=O)[C@@]12CCC[C@@H]1CN(c1snc(Cl)c1C#N)C2 ZINC000302136828 533153618 /nfs/dbraw/zinc/15/36/18/533153618.db2.gz DIJBIBHXLXAEEX-AMIZOPFISA-N 0 0 311.794 2.448 10 30 DEEERN C[C@@H](NC(=O)[C@H]1CCCCS1)c1cccc(C#CCO)c1 ZINC000156272181 197100186 /nfs/dbraw/zinc/10/01/86/197100186.db2.gz VFGAMGMKPLUOJI-CZUORRHYSA-N 0 0 303.427 2.493 10 30 DEEERN C[C@@]1(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CCCO1 ZINC000156081427 197085013 /nfs/dbraw/zinc/08/50/13/197085013.db2.gz PXJANWAHERSRKD-ZDUSSCGKSA-N 0 0 314.794 2.059 10 30 DEEERN Cc1ccccc1C(=O)N[C@H](C(=O)N(C)CCC#N)C(C)C ZINC000069649126 184831373 /nfs/dbraw/zinc/83/13/73/184831373.db2.gz AFCNJSUOZUOZKF-HNNXBMFYSA-N 0 0 301.390 2.122 10 30 DEEERN Cc1cc(S(=O)(=O)NCCC(C)(C)C)ccc1C#CCO ZINC000124346227 195631262 /nfs/dbraw/zinc/63/12/62/195631262.db2.gz XLSIZFCBESPOFM-UHFFFAOYSA-N 0 0 309.431 2.053 10 30 DEEERN CCC(CC)CNS(=O)(=O)c1ccccc1C#CCCO ZINC000125454080 195751510 /nfs/dbraw/zinc/75/15/10/195751510.db2.gz YWERIUNOJWKFGA-UHFFFAOYSA-N 0 0 309.431 2.135 10 30 DEEERN COCCN(CC(F)F)C(=O)NCC1CCC(C#N)CC1 ZINC000441000500 533322031 /nfs/dbraw/zinc/32/20/31/533322031.db2.gz QMKGVXOLKZXVFK-UHFFFAOYSA-N 0 0 303.353 2.239 10 30 DEEERN CSCCCCCCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000368258286 533545976 /nfs/dbraw/zinc/54/59/76/533545976.db2.gz POZYQHGVXXCDBF-HNNXBMFYSA-N 0 0 324.494 2.292 10 30 DEEERN Cc1n[nH]c(C)c1CCC(=O)NCCOc1ccc(C#N)cc1 ZINC000174158561 132507154 /nfs/dbraw/zinc/50/71/54/132507154.db2.gz CJZYUILKZYDELJ-UHFFFAOYSA-N 0 0 312.373 2.026 10 30 DEEERN C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)c1ccccn1 ZINC000174809225 132511194 /nfs/dbraw/zinc/51/11/94/132511194.db2.gz GCTFIKCFEDWEDG-ZDUSSCGKSA-N 0 0 310.357 2.392 10 30 DEEERN N#Cc1ccccc1N1CCC[C@@H](Nc2ccncc2C#N)C1 ZINC000368416240 133272344 /nfs/dbraw/zinc/27/23/44/133272344.db2.gz IQWLSZREYSDWLW-MRXNPFEDSA-N 0 0 303.369 2.328 10 30 DEEERN N#Cc1csc(C(=O)N2CCN(c3ccc(F)cn3)CC2)c1 ZINC000376546153 133299797 /nfs/dbraw/zinc/29/97/97/133299797.db2.gz AEQLSVVHEQFCSW-UHFFFAOYSA-N 0 0 316.361 2.116 10 30 DEEERN COc1ccccc1CN1CCN(c2ccncc2C#N)CC1 ZINC000548152849 285695555 /nfs/dbraw/zinc/69/55/55/285695555.db2.gz QIXIINMURXMCCK-UHFFFAOYSA-N 0 0 308.385 2.284 10 30 DEEERN C=CCn1c(-c2cccn2C)nnc1N1CCOC(C)(C)[C@@H]1C ZINC000350791767 404471681 /nfs/dbraw/zinc/47/16/81/404471681.db2.gz KKIGZRRIKABFRW-ZDUSSCGKSA-N 0 0 315.421 2.473 10 30 DEEERN C=CCc1cc(CN2CC(F)(F)C[C@H]2CO)cc(OC)c1O ZINC000364648951 404484029 /nfs/dbraw/zinc/48/40/29/404484029.db2.gz DRQBUVVLNHEMGH-ZDUSSCGKSA-N 0 0 313.344 2.331 10 30 DEEERN CC(C)OC(=O)[C@@H](C)N(C)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188500917 145013338 /nfs/dbraw/zinc/01/33/38/145013338.db2.gz HKUSTTXQZZFSPA-CYBMUJFWSA-N 0 0 314.385 2.388 10 30 DEEERN Cn1cc(CCCNC(=O)C2(c3ccc(C#N)cc3)CC2)cn1 ZINC000189518787 145029032 /nfs/dbraw/zinc/02/90/32/145029032.db2.gz WBFDCAOSCQGGSY-UHFFFAOYSA-N 0 0 308.385 2.072 10 30 DEEERN N#Cc1ccc(CNc2cc(-n3cnnn3)ccc2F)cc1F ZINC000190369242 145041699 /nfs/dbraw/zinc/04/16/99/145041699.db2.gz CYKACKBZCMDWFI-UHFFFAOYSA-N 0 0 312.283 2.424 10 30 DEEERN CC(C)Cn1ncnc1C[S@](=O)Cc1ccc(C#N)c(F)c1 ZINC000190846895 145048827 /nfs/dbraw/zinc/04/88/27/145048827.db2.gz NYJBULLEMQJGRC-JOCHJYFZSA-N 0 0 320.393 2.394 10 30 DEEERN COC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(C#N)cn1C ZINC000191451155 145058452 /nfs/dbraw/zinc/05/84/52/145058452.db2.gz TYLJJBKPDNXPDH-INIZCTEOSA-N 0 0 311.385 2.226 10 30 DEEERN Cn1ccnc1-c1nnc(NCc2c(F)cc(C#N)cc2F)o1 ZINC000192758842 145078309 /nfs/dbraw/zinc/07/83/09/145078309.db2.gz OISRBYZADHOGBE-UHFFFAOYSA-N 0 0 316.271 2.232 10 30 DEEERN N#Cc1cc(F)c(CNc2ccc(OCCO)nc2)c(F)c1 ZINC000192751265 145078398 /nfs/dbraw/zinc/07/83/98/145078398.db2.gz ZSYJKCVQOYMZGM-UHFFFAOYSA-N 0 0 305.284 2.215 10 30 DEEERN C[C@H](NC(=O)Nc1cccc(C#N)c1)c1nnc2n1CCCC2 ZINC000193625821 145087423 /nfs/dbraw/zinc/08/74/23/145087423.db2.gz BDNPEJUKRPXUSD-NSHDSACASA-N 0 0 310.361 2.369 10 30 DEEERN Cc1cccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)c1C#N ZINC000246356003 145100368 /nfs/dbraw/zinc/10/03/68/145100368.db2.gz WRZJULXQACFESG-CABCVRRESA-N 0 0 320.414 2.199 10 30 DEEERN CC[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)C[C@H](C)O1 ZINC000246452776 145103328 /nfs/dbraw/zinc/10/33/28/145103328.db2.gz MVSMHZYTNZQRIQ-YUTCNCBUSA-N 0 0 319.430 2.224 10 30 DEEERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCOc1ccccc1C#N ZINC000248823114 145168634 /nfs/dbraw/zinc/16/86/34/145168634.db2.gz JQWOQGNRHHFQSG-UXLLHSPISA-N 0 0 314.385 2.211 10 30 DEEERN N#Cc1cccc(CC(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000551884435 285914613 /nfs/dbraw/zinc/91/46/13/285914613.db2.gz AYBKSUOXFFSBAE-OAHLLOKOSA-N 0 0 322.368 2.377 10 30 DEEERN Cc1ccc2c(c1)CN(C(=O)[C@@H](C)n1cnc(C#N)n1)C(C)(C)C2 ZINC000358869816 147222294 /nfs/dbraw/zinc/22/22/94/147222294.db2.gz BVNJRSBMYNNUEC-CYBMUJFWSA-N 0 0 323.400 2.383 10 30 DEEERN Cc1c(NC(=O)[C@@H](C)n2cnc(C#N)n2)cccc1-c1ncco1 ZINC000359143751 147269964 /nfs/dbraw/zinc/26/99/64/147269964.db2.gz OUFMGWQSNSCTLW-LLVKDONJSA-N 0 0 322.328 2.313 10 30 DEEERN CC[C@](C)(O)CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000359248268 147291886 /nfs/dbraw/zinc/29/18/86/147291886.db2.gz BNUQJLVVTSVNBI-RDJZCZTQSA-N 0 0 304.390 2.239 10 30 DEEERN CN(Cc1cnccn1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000359487487 147335867 /nfs/dbraw/zinc/33/58/67/147335867.db2.gz MJHVXGBPJPOSGA-UHFFFAOYSA-N 0 0 320.312 2.441 10 30 DEEERN CCO[C@@H]1C[C@@H](Nc2ccncc2C#N)[C@H]1Oc1ccccc1 ZINC000367802445 147793372 /nfs/dbraw/zinc/79/33/72/147793372.db2.gz KTBBDJAAHQKIRE-KZNAEPCWSA-N 0 0 309.369 2.412 10 30 DEEERN Cc1nc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)ccc1C#N ZINC000371680006 148129766 /nfs/dbraw/zinc/12/97/66/148129766.db2.gz WGZHUKFTOJIDKB-UHFFFAOYSA-N 0 0 304.313 2.299 10 30 DEEERN O=c1cc(-c2ccccc2)nc(NN=Cc2ccc(O)cc2O)[nH]1 ZINC000008150199 401748931 /nfs/dbraw/zinc/74/89/31/401748931.db2.gz AJFRKSOGCCWKCD-VCHYOVAHSA-N 0 0 322.324 2.294 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1noc(C)n1 ZINC000074611648 401743771 /nfs/dbraw/zinc/74/37/71/401743771.db2.gz RVTBLBUEQZQZCN-UHFFFAOYSA-N 0 0 311.345 2.148 10 30 DEEERN N#Cc1ccc(CCC(=O)N2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000127002572 401716165 /nfs/dbraw/zinc/71/61/65/401716165.db2.gz KBINNANOWRZABS-KRWDZBQOSA-N 0 0 323.400 2.021 10 30 DEEERN CC(C)(C)C[C@@H](CO)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000129689171 401807778 /nfs/dbraw/zinc/80/77/78/401807778.db2.gz ILDVIFIATXTDTC-AWEZNQCLSA-N 0 0 319.405 2.033 10 30 DEEERN CCC1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000128509853 401780208 /nfs/dbraw/zinc/78/02/08/401780208.db2.gz RYJAQZUZUINOHE-UHFFFAOYSA-N 0 0 306.431 2.454 10 30 DEEERN CSC[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000076302160 401789568 /nfs/dbraw/zinc/78/95/68/401789568.db2.gz VOMHXAADLSRUGB-MRVPVSSYSA-N 0 0 304.824 2.241 10 30 DEEERN Cc1ccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c(O)c1 ZINC000130283143 401825965 /nfs/dbraw/zinc/82/59/65/401825965.db2.gz AMDPRTAYEVGICW-UHFFFAOYSA-N 0 0 308.337 2.476 10 30 DEEERN C#CCSCCNC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C ZINC000130410314 401830922 /nfs/dbraw/zinc/83/09/22/401830922.db2.gz OOLYGHXYUUVUOR-GFCCVEGCSA-N 0 0 314.451 2.162 10 30 DEEERN Cc1ccc(O)c(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000130625223 401835936 /nfs/dbraw/zinc/83/59/36/401835936.db2.gz YNTCUZFCGAQQJL-UHFFFAOYSA-N 0 0 308.337 2.476 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)Cc3ccccc3O)C2)cc1 ZINC000130782351 401838438 /nfs/dbraw/zinc/83/84/38/401838438.db2.gz WXQKLLPUZRQDJV-UHFFFAOYSA-N 0 0 308.337 2.096 10 30 DEEERN CC(C)c1nc([C@H]2CCCN2CCC(=O)N(C)CCC#N)no1 ZINC000131383586 401850021 /nfs/dbraw/zinc/85/00/21/401850021.db2.gz JBKHBOYXTFXHBO-CYBMUJFWSA-N 0 0 319.409 2.092 10 30 DEEERN N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116453501 401852965 /nfs/dbraw/zinc/85/29/65/401852965.db2.gz DUUPGPIARUXMRJ-OAHLLOKOSA-N 0 0 323.352 2.245 10 30 DEEERN N#CCCn1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000117854448 401885924 /nfs/dbraw/zinc/88/59/24/401885924.db2.gz VWKPZTIWEQYVBC-UHFFFAOYSA-N 0 0 324.300 2.439 10 30 DEEERN N#Cc1csc(C(=O)NC2CCN(c3ccccn3)CC2)c1 ZINC000084083265 401902054 /nfs/dbraw/zinc/90/20/54/401902054.db2.gz QVIKPPXLDHIQMA-UHFFFAOYSA-N 0 0 312.398 2.414 10 30 DEEERN C=C(C)Cn1ncc(Br)c(Br)c1=O ZINC000135894980 401954918 /nfs/dbraw/zinc/95/49/18/401954918.db2.gz DWKHYWBWQRMKQJ-UHFFFAOYSA-N 0 0 307.973 2.344 10 30 DEEERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000119550179 401958277 /nfs/dbraw/zinc/95/82/77/401958277.db2.gz ZWCDYROGYIPJTQ-ONGXEEELSA-N 0 0 320.780 2.329 10 30 DEEERN CCOC(=O)C[C@@H](C)CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000089787605 401963776 /nfs/dbraw/zinc/96/37/76/401963776.db2.gz BENZLVFGJMIWLF-OLZOCXBDSA-N 0 0 318.373 2.031 10 30 DEEERN CCCC[C@@H](NC(=O)NCC)C(=O)Nc1cccc(C#N)c1 ZINC000136411360 401967181 /nfs/dbraw/zinc/96/71/81/401967181.db2.gz MHTAYXOOJKHYTD-CQSZACIVSA-N 0 0 302.378 2.375 10 30 DEEERN N#Cc1cc(S(=O)(=O)NCc2cccnc2)ccc1Cl ZINC000047282409 401980840 /nfs/dbraw/zinc/98/08/40/401980840.db2.gz QDODZUOMLBYMQT-UHFFFAOYSA-N 0 0 307.762 2.085 10 30 DEEERN N#Cc1ccc(-c2ccn3c(=O)[nH]nc3c2Br)cc1 ZINC000142927272 401991088 /nfs/dbraw/zinc/99/10/88/401991088.db2.gz IIBDZHOAJJBCCN-UHFFFAOYSA-N 0 0 315.130 2.324 10 30 DEEERN CN(c1cc(C#N)ccn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095074196 402024139 /nfs/dbraw/zinc/02/41/39/402024139.db2.gz JTWRRTXBHUDLGW-ZDUSSCGKSA-N 0 0 302.378 2.399 10 30 DEEERN Cc1ccn(-c2ccccc2CNC(=O)c2ccc(C#N)cn2)n1 ZINC000152077822 402073761 /nfs/dbraw/zinc/07/37/61/402073761.db2.gz CZMLIDJCRNGYNT-UHFFFAOYSA-N 0 0 317.352 2.377 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000152132610 402077698 /nfs/dbraw/zinc/07/76/98/402077698.db2.gz JUCWMASNAJZEDL-CYBMUJFWSA-N 0 0 301.371 2.172 10 30 DEEERN Cc1cnn(C[C@H]2CN(Cc3ccc(C#N)s3)CCO2)c1 ZINC000122473260 402079981 /nfs/dbraw/zinc/07/99/81/402079981.db2.gz RLUMHQIXUYOAOM-CYBMUJFWSA-N 0 0 302.403 2.026 10 30 DEEERN CC(=O)N[C@@H](CC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000122197963 402066530 /nfs/dbraw/zinc/06/65/30/402066530.db2.gz CMGOWPOLPHSITG-DOTOQJQBSA-N 0 0 301.390 2.308 10 30 DEEERN CCN(Cc1cnn(C)c1)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000065908145 402128199 /nfs/dbraw/zinc/12/81/99/402128199.db2.gz GROQVWCIOHVPHA-CYBMUJFWSA-N 0 0 312.373 2.108 10 30 DEEERN COc1ccc2c(c1)C[C@@H](C(=O)NC1(C#N)CCCC1)CO2 ZINC000124784776 402196715 /nfs/dbraw/zinc/19/67/15/402196715.db2.gz STMOMGHCDAUODM-CYBMUJFWSA-N 0 0 300.358 2.199 10 30 DEEERN CCCCCN(CCO)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000153682805 402162382 /nfs/dbraw/zinc/16/23/82/402162382.db2.gz DHLAZDHPYWOLFR-AWEZNQCLSA-N 0 0 304.390 2.337 10 30 DEEERN C#CCSCCNC(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000153738194 402167144 /nfs/dbraw/zinc/16/71/44/402167144.db2.gz TYIUTHIDHKRFPO-CQSZACIVSA-N 0 0 317.458 2.276 10 30 DEEERN C=CCN(CC=C)C(=O)CN1CCO[C@H](c2ccsc2)C1 ZINC000125420964 402230897 /nfs/dbraw/zinc/23/08/97/402230897.db2.gz NLSHIHSVOKSQCE-HNNXBMFYSA-N 0 0 306.431 2.322 10 30 DEEERN N#C[C@H](NC(=O)CCc1nnc(-c2ccsc2)o1)C1CC1 ZINC000108833166 402262531 /nfs/dbraw/zinc/26/25/31/402262531.db2.gz PYHRKIYSSFVPTE-NSHDSACASA-N 0 0 302.359 2.149 10 30 DEEERN N#CCOc1ccc(CC(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000124965462 402206298 /nfs/dbraw/zinc/20/62/98/402206298.db2.gz YPZQLYUWOLGVMP-UHFFFAOYSA-N 0 0 324.384 2.261 10 30 DEEERN Cc1n[nH]cc1CCCNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000068981566 402210991 /nfs/dbraw/zinc/21/09/91/402210991.db2.gz SAQMMVGKLVLBAN-ZDUSSCGKSA-N 0 0 312.373 2.106 10 30 DEEERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc(C#N)cn1C ZINC000176587115 402321559 /nfs/dbraw/zinc/32/15/59/402321559.db2.gz ISIUPMBYWVUGAR-UHFFFAOYSA-N 0 0 319.368 2.355 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)CCc1nccs1 ZINC000156535986 402284079 /nfs/dbraw/zinc/28/40/79/402284079.db2.gz FRJYXBHJXFADRW-GFCCVEGCSA-N 0 0 315.398 2.483 10 30 DEEERN C[C@@H]1[C@@H](C)CCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184642856 402287405 /nfs/dbraw/zinc/28/74/05/402287405.db2.gz HOOMUSKCYQFOGT-NWDGAFQWSA-N 0 0 310.361 2.401 10 30 DEEERN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1CCCSCC#N ZINC000184737954 402296214 /nfs/dbraw/zinc/29/62/14/402296214.db2.gz SEGZNGTWICQNLK-HNNXBMFYSA-N 0 0 321.421 2.254 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1ccc(OC(F)F)cc1 ZINC000176554634 402319513 /nfs/dbraw/zinc/31/95/13/402319513.db2.gz GYGOXRFTIHAQGW-UHFFFAOYSA-N 0 0 305.284 2.428 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCC(=O)NCc1ccc(OC)cc1 ZINC000185496317 402357023 /nfs/dbraw/zinc/35/70/23/402357023.db2.gz KPSMQHGZCNANNS-ZDUSSCGKSA-N 0 0 304.390 2.030 10 30 DEEERN COc1cc(N2CCN([C@H](C)c3cccc(C#N)c3)CC2)ncn1 ZINC000185726765 402372176 /nfs/dbraw/zinc/37/21/76/402372176.db2.gz ZWCFESBPLWOFLD-CQSZACIVSA-N 0 0 323.400 2.240 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1cccc(Cn2ccnc2)c1 ZINC000177123657 402372496 /nfs/dbraw/zinc/37/24/96/402372496.db2.gz CWXDGLPJUYAGAM-UHFFFAOYSA-N 0 0 319.368 2.072 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc2sc(N(C)C)nc2s1 ZINC000185786297 402376825 /nfs/dbraw/zinc/37/68/25/402376825.db2.gz YNLYYIXFTUPZDK-MRVPVSSYSA-N 0 0 311.432 2.091 10 30 DEEERN C#CCC(C)(C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000185833027 402381174 /nfs/dbraw/zinc/38/11/74/402381174.db2.gz FDMSNECDXGAHRK-AWEZNQCLSA-N 0 0 300.402 2.440 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1ccc(F)c(Br)c1 ZINC000185884895 402385950 /nfs/dbraw/zinc/38/59/50/402385950.db2.gz MZWMPBWWDWZAMT-JTQLQIEISA-N 0 0 316.170 2.184 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)c1cccnc1N(C)C ZINC000176790525 402337758 /nfs/dbraw/zinc/33/77/58/402337758.db2.gz TZMOVDQHQIXMOP-CYBMUJFWSA-N 0 0 324.384 2.450 10 30 DEEERN CCCCCCCCOCC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000186017808 402397015 /nfs/dbraw/zinc/39/70/15/402397015.db2.gz IODGUKYLYPJFPV-KRWDZBQOSA-N 0 0 313.438 2.381 10 30 DEEERN N#C[C@H](NC(=O)[C@@H](c1ccccc1)N1CCSCC1)C1CC1 ZINC000161829484 402400826 /nfs/dbraw/zinc/40/08/26/402400826.db2.gz XTLJWWOZARAXIF-JKSUJKDBSA-N 0 0 315.442 2.195 10 30 DEEERN N#C[C@@H](NC(=O)C1(c2cccc(F)c2)CCOCC1)C1CC1 ZINC000161902020 402402823 /nfs/dbraw/zinc/40/28/23/402402823.db2.gz HKBSGXLWQGXWFN-OAHLLOKOSA-N 0 0 302.349 2.292 10 30 DEEERN N#CCN(CC#N)C(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000162017032 402406635 /nfs/dbraw/zinc/40/66/35/402406635.db2.gz DCJOJQCIKNUTME-UHFFFAOYSA-N 0 0 309.369 2.404 10 30 DEEERN C[C@@H](C(=O)N(C)CCC#N)N(C)Cc1nc2c(s1)CCCC2 ZINC000177790658 402436186 /nfs/dbraw/zinc/43/61/86/402436186.db2.gz PKVMRBYPIUMMFZ-LBPRGKRZSA-N 0 0 320.462 2.214 10 30 DEEERN C[C@@H](NC(=O)NCCCCC#N)c1cn(-c2ccccc2)nn1 ZINC000177971936 402447975 /nfs/dbraw/zinc/44/79/75/402447975.db2.gz AWOBWZFVTHSKLQ-CYBMUJFWSA-N 0 0 312.377 2.321 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc(CNC(N)=O)cc1 ZINC000163354735 402447981 /nfs/dbraw/zinc/44/79/81/402447981.db2.gz RYFUPAOKIYFQDH-UHFFFAOYSA-N 0 0 308.341 2.287 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnn(-c2ccc(F)cc2)c1CC ZINC000185932778 402390416 /nfs/dbraw/zinc/39/04/16/402390416.db2.gz LXTABZFJHGWSBS-CYBMUJFWSA-N 0 0 317.364 2.241 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000178555432 402510860 /nfs/dbraw/zinc/51/08/60/402510860.db2.gz GZVWJLWVYHOVRZ-UHFFFAOYSA-N 0 0 302.378 2.245 10 30 DEEERN Cc1oc(NC(=O)[C@@H](C)N2CCCO[C@@H](C)C2)c(C#N)c1C ZINC000245403970 402456516 /nfs/dbraw/zinc/45/65/16/402456516.db2.gz NNKHHFKYHCNACE-CMPLNLGQSA-N 0 0 305.378 2.206 10 30 DEEERN CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2C)C1 ZINC000164017483 402459862 /nfs/dbraw/zinc/45/98/62/402459862.db2.gz GGEBNYBCSFXDMB-OAHLLOKOSA-N 0 0 313.401 2.245 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccccc1N1CCCCC1 ZINC000186759018 402462217 /nfs/dbraw/zinc/46/22/17/402462217.db2.gz YPQCCUIYEHVJEI-INIZCTEOSA-N 0 0 317.433 2.413 10 30 DEEERN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CCCO1 ZINC000170688267 402514619 /nfs/dbraw/zinc/51/46/19/402514619.db2.gz SUEPCHRRUIJLTF-CYBMUJFWSA-N 0 0 307.781 2.261 10 30 DEEERN CC(C)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000169099748 402500199 /nfs/dbraw/zinc/50/01/99/402500199.db2.gz BKFQHOLNPZAQFW-CABCVRRESA-N 0 0 307.419 2.446 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000169064766 402500310 /nfs/dbraw/zinc/50/03/10/402500310.db2.gz KWBFPSYDOGBQDE-QWHCGFSZSA-N 0 0 300.362 2.032 10 30 DEEERN CC(C)OC(=O)[C@H](C)CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187528973 402503830 /nfs/dbraw/zinc/50/38/30/402503830.db2.gz YPNSUFKQBSJOLR-CYBMUJFWSA-N 0 0 314.385 2.294 10 30 DEEERN CC[C@@H](C#N)NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000171004473 402548682 /nfs/dbraw/zinc/54/86/82/402548682.db2.gz CPZQXLXZSYPPMO-LBPRGKRZSA-N 0 0 305.403 2.019 10 30 DEEERN C[C@H](NC(=O)/C=C/c1ccccc1C#N)c1nnc2n1CCCC2 ZINC000178616924 402517656 /nfs/dbraw/zinc/51/76/56/402517656.db2.gz WQBOBVQCPFQQMI-LXKVQUBZSA-N 0 0 321.384 2.377 10 30 DEEERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C#N)CC1 ZINC000170728218 402517964 /nfs/dbraw/zinc/51/79/64/402517964.db2.gz MYWQKXVMVGXZGJ-ZDUSSCGKSA-N 0 0 309.410 2.442 10 30 DEEERN N#Cc1ccc(OCCn2ccnc2[C@H](O)c2ccccn2)cc1 ZINC000189436210 402536996 /nfs/dbraw/zinc/53/69/96/402536996.db2.gz PSKVLNNGZULHAO-QGZVFWFLSA-N 0 0 320.352 2.310 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)NC[C@](C)(O)CCC(C)C ZINC000178793891 402540629 /nfs/dbraw/zinc/54/06/29/402540629.db2.gz NBFGSYPQBGAOKV-MRXNPFEDSA-N 0 0 324.446 2.332 10 30 DEEERN CCOC(=O)[C@H](C)[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000248455283 402591255 /nfs/dbraw/zinc/59/12/55/402591255.db2.gz KWDOHOSLFQDSPJ-UPJWGTAASA-N 0 0 318.373 2.029 10 30 DEEERN C#CCCCC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Cl ZINC000190650372 402615814 /nfs/dbraw/zinc/61/58/14/402615814.db2.gz DLFAFVOQHCEUST-HNNXBMFYSA-N 0 0 304.777 2.143 10 30 DEEERN COc1ccc(C[C@H](C)C(=O)N[C@H](C#N)C2CC2)cc1OC ZINC000180750671 402624902 /nfs/dbraw/zinc/62/49/02/402624902.db2.gz PYLCOVLJTQTGJZ-SMDDNHRTSA-N 0 0 302.374 2.301 10 30 DEEERN CCO[C@@H]1C[C@@H](NC(=O)C2(C#N)CCCC2)C12CCOCC2 ZINC000187118947 286252841 /nfs/dbraw/zinc/25/28/41/286252841.db2.gz SVNGBWXFBNDADP-ZIAGYGMSSA-N 0 0 306.406 2.161 10 30 DEEERN N#CC1(c2ccc(C(=O)N[C@H]3CCCn4ncnc43)cc2)CC1 ZINC000181546635 402649315 /nfs/dbraw/zinc/64/93/15/402649315.db2.gz CFTXKZHTSPDSEW-AWEZNQCLSA-N 0 0 307.357 2.098 10 30 DEEERN C=CC[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000182661734 402706986 /nfs/dbraw/zinc/70/69/86/402706986.db2.gz YDJONBUDOJOEHC-ZDUSSCGKSA-N 0 0 319.361 2.180 10 30 DEEERN Cc1ccc(N2CCCN(c3nc(C)cc(C)c3C#N)CC2)nn1 ZINC000192141761 402714189 /nfs/dbraw/zinc/71/41/89/402714189.db2.gz YYZJCKREHXMPKY-UHFFFAOYSA-N 0 0 322.416 2.385 10 30 DEEERN N#Cc1ccc(OCCNC(=O)CCc2cscn2)cc1 ZINC000173884378 402716774 /nfs/dbraw/zinc/71/67/74/402716774.db2.gz GLIDYYSERSJURX-UHFFFAOYSA-N 0 0 301.371 2.143 10 30 DEEERN N#Cc1ccc(OCCNC(=O)[C@@H]2COc3ccccc3C2)cc1 ZINC000173900815 402718120 /nfs/dbraw/zinc/71/81/20/402718120.db2.gz DILJGWOSOSEMBA-INIZCTEOSA-N 0 0 322.364 2.305 10 30 DEEERN C#CCCCNC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000174119971 402727743 /nfs/dbraw/zinc/72/77/43/402727743.db2.gz XASIYQYZQYHDEY-OAHLLOKOSA-N 0 0 315.417 2.234 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000183108934 402739469 /nfs/dbraw/zinc/73/94/69/402739469.db2.gz BJLABQICMLZORY-HNNXBMFYSA-N 0 0 305.422 2.269 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2ccncc2Cl)cc1 ZINC000174419523 402740698 /nfs/dbraw/zinc/74/06/98/402740698.db2.gz QRQLIUKXFYRTLI-UHFFFAOYSA-N 0 0 301.733 2.415 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000183220695 402748058 /nfs/dbraw/zinc/74/80/58/402748058.db2.gz SZWKMMAHCYNNNP-GVDBMIGSSA-N 0 0 318.417 2.391 10 30 DEEERN N#Cc1cc(S(=O)(=O)N[C@@H]2CCCOCC2)ccc1Cl ZINC000183391679 402762731 /nfs/dbraw/zinc/76/27/31/402762731.db2.gz YGULWGPQIGNOJV-LLVKDONJSA-N 0 0 314.794 2.059 10 30 DEEERN COC[C@H](Cc1ccccc1)N(C)C(=O)c1ccnc(C#N)c1 ZINC000194321103 402792463 /nfs/dbraw/zinc/79/24/63/402792463.db2.gz PLGXDMJZARCAPX-KRWDZBQOSA-N 0 0 309.369 2.283 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000183858840 402802324 /nfs/dbraw/zinc/80/23/24/402802324.db2.gz GERNIJJNSOUNTJ-RISCZKNCSA-N 0 0 308.353 2.276 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(NC(=O)C2CC2)ccc1C ZINC000184050422 402814061 /nfs/dbraw/zinc/81/40/61/402814061.db2.gz UWYWUERJGAUMJX-CQSZACIVSA-N 0 0 317.389 2.402 10 30 DEEERN N#Cc1cc(C(=O)NCCSCc2ccccc2C#N)ccn1 ZINC000195046368 402828472 /nfs/dbraw/zinc/82/84/72/402828472.db2.gz PKVBVTZPISVQKW-UHFFFAOYSA-N 0 0 322.393 2.488 10 30 DEEERN N#Cc1cc(F)ccc1NC(=O)C(=O)NCCc1ccsc1 ZINC000175949827 402844111 /nfs/dbraw/zinc/84/41/11/402844111.db2.gz AYDHYUXMEJDPND-UHFFFAOYSA-N 0 0 317.345 2.056 10 30 DEEERN CS[C@@H](C)CC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183647531 402785191 /nfs/dbraw/zinc/78/51/91/402785191.db2.gz TWONKUSBQZQEIT-JTQLQIEISA-N 0 0 301.375 2.219 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@H](O)c1ccc(OC(C)C)cc1 ZINC000278914541 402885267 /nfs/dbraw/zinc/88/52/67/402885267.db2.gz RCUSXDQGRXDVFN-SFHVURJKSA-N 0 0 313.397 2.286 10 30 DEEERN C=CCN(CC=C)C(=O)CN[C@@H](CO)c1ccc(Cl)cc1 ZINC000273074490 402968733 /nfs/dbraw/zinc/96/87/33/402968733.db2.gz GBMFMENSVVPLAD-HNNXBMFYSA-N 0 0 308.809 2.164 10 30 DEEERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCSC[C@@H]1C#N ZINC000273293426 402991427 /nfs/dbraw/zinc/99/14/27/402991427.db2.gz PYLQRJNGYVBUKG-ZHZWZMEUSA-N 0 0 317.370 2.466 10 30 DEEERN C=CC[C@H](CO)Nc1ncc([N+](=O)[O-])cc1Br ZINC000273365656 402998282 /nfs/dbraw/zinc/99/82/82/402998282.db2.gz WZLIQRLXMIGLDE-SSDOTTSWSA-N 0 0 302.128 2.101 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)[C@@H](OC)c1ccc(F)cc1 ZINC000273394584 403000998 /nfs/dbraw/zinc/00/09/98/403000998.db2.gz OCZFWLOEJHQVRV-NILFDRSVSA-N 0 0 310.369 2.138 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000273446919 403005860 /nfs/dbraw/zinc/00/58/60/403005860.db2.gz SGPGLNLPDDOWEK-LBPRGKRZSA-N 0 0 324.450 2.188 10 30 DEEERN C=CC[C@H](CC)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000281062346 403057693 /nfs/dbraw/zinc/05/76/93/403057693.db2.gz LNAKPLMMPZYCCU-DZKIICNBSA-N 0 0 301.390 2.072 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCCCCC(=O)OC ZINC000281321795 403064689 /nfs/dbraw/zinc/06/46/89/403064689.db2.gz IWLSEDKRMDLXOH-ZFWWWQNUSA-N 0 0 312.410 2.000 10 30 DEEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000281447519 403068775 /nfs/dbraw/zinc/06/87/75/403068775.db2.gz MRXXGAOPJZRICV-ZDUSSCGKSA-N 0 0 317.389 2.079 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)CSc2ccccc2C)C1=O ZINC000281550273 403071300 /nfs/dbraw/zinc/07/13/00/403071300.db2.gz YYNHUIFBCDNNOQ-CQSZACIVSA-N 0 0 318.442 2.332 10 30 DEEERN C=CCn1c([C@@H](C)CC)nnc1N1CC[C@@](O)(C(F)(F)F)C1 ZINC000282126334 403124870 /nfs/dbraw/zinc/12/48/70/403124870.db2.gz AIDCJMFZOHWXES-GWCFXTLKSA-N 0 0 318.343 2.481 10 30 DEEERN C#CCCNC(=O)N[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000276412119 403172303 /nfs/dbraw/zinc/17/23/03/403172303.db2.gz BJYRPKMNSBEHLY-HNNXBMFYSA-N 0 0 313.401 2.040 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC000282335942 403144241 /nfs/dbraw/zinc/14/42/41/403144241.db2.gz RFAIDDOZYIERIN-LBPRGKRZSA-N 0 0 317.418 2.376 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000277518452 403226302 /nfs/dbraw/zinc/22/63/02/403226302.db2.gz GKGLRXMHYRNHMR-PBHICJAKSA-N 0 0 304.438 2.416 10 30 DEEERN N#CCN(C(=O)c1cnc(OCC2CC2)cn1)C1CCCC1 ZINC000283825600 403226375 /nfs/dbraw/zinc/22/63/75/403226375.db2.gz GCACSFZSJPTWRG-UHFFFAOYSA-N 0 0 300.362 2.174 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N[C@@H]1CCOC[C@@H]1C ZINC000277687168 403245704 /nfs/dbraw/zinc/24/57/04/403245704.db2.gz QPVXEZJMLMYWQE-DZGCQCFKSA-N 0 0 304.390 2.476 10 30 DEEERN C=CCN(CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000342748073 403333119 /nfs/dbraw/zinc/33/31/19/403333119.db2.gz IEMUOXJOVOTOPI-CYBMUJFWSA-N 0 0 315.385 2.182 10 30 DEEERN C=CCc1ccc(OC(=O)[C@@H]2CCCN2C(C)=O)c(OC)c1 ZINC000298787767 403463055 /nfs/dbraw/zinc/46/30/55/403463055.db2.gz CZVDIGYQMVWVJT-AWEZNQCLSA-N 0 0 303.358 2.340 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CN(C)C(=O)c1cccs1 ZINC000299133446 403531205 /nfs/dbraw/zinc/53/12/05/403531205.db2.gz DJRMUMKLICIPMV-UHFFFAOYSA-N 0 0 320.336 2.397 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1cc(C)nn1C ZINC000286901958 403548528 /nfs/dbraw/zinc/54/85/28/403548528.db2.gz GZTZVGTYXQVZAX-INIZCTEOSA-N 0 0 310.401 2.162 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCOC1 ZINC000287054919 403552749 /nfs/dbraw/zinc/55/27/49/403552749.db2.gz WUKFFZRAPOPKNJ-IRXDYDNUSA-N 0 0 300.402 2.347 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccccc1OCCOC ZINC000345816580 403495023 /nfs/dbraw/zinc/49/50/23/403495023.db2.gz NRLSMUWLTZLVLT-RDJZCZTQSA-N 0 0 319.401 2.309 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCC1(c2ccc(OC)cc2)CCC1 ZINC000346439600 403590183 /nfs/dbraw/zinc/59/01/83/403590183.db2.gz QIOOIVFEWJOQIZ-OAHLLOKOSA-N 0 0 318.417 2.353 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(C(=O)OCC)c(C)cc1F ZINC000346855994 403605250 /nfs/dbraw/zinc/60/52/50/403605250.db2.gz WCURVDCVAWXMAR-LLVKDONJSA-N 0 0 324.352 2.369 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1sc([C@@H]2CCCOC2)nc1C ZINC000346673486 403598442 /nfs/dbraw/zinc/59/84/42/403598442.db2.gz UPOFCELVYUCICV-NEPJUHHUSA-N 0 0 310.419 2.012 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000287516640 403614834 /nfs/dbraw/zinc/61/48/34/403614834.db2.gz BAXZSBZTPUZDGN-MRXNPFEDSA-N 0 0 310.397 2.053 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CN1CCCCCC1=O ZINC000287569578 403625703 /nfs/dbraw/zinc/62/57/03/403625703.db2.gz XBHZSJDBTVIRSO-QGZVFWFLSA-N 0 0 312.413 2.140 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@](C)(Cc1ccccc1)[C@H](C)O ZINC000287724663 403655843 /nfs/dbraw/zinc/65/58/43/403655843.db2.gz BKROACHQORHWBD-JXFKEZNVSA-N 0 0 311.425 2.395 10 30 DEEERN N#Cc1nccnc1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000301633678 403656811 /nfs/dbraw/zinc/65/68/11/403656811.db2.gz VGBJVULOTXFXCO-SNVBAGLBSA-N 0 0 300.753 2.087 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1ccc(OC)c(OC)c1C ZINC000287868385 403682815 /nfs/dbraw/zinc/68/28/15/403682815.db2.gz DOYLLRXMHLEXOQ-OLZOCXBDSA-N 0 0 322.405 2.309 10 30 DEEERN CCn1cc(NC(=O)C2CCN(c3cccc(C#N)n3)CC2)cn1 ZINC000301850481 403690929 /nfs/dbraw/zinc/69/09/29/403690929.db2.gz OZPFXOGASAXFSA-UHFFFAOYSA-N 0 0 324.388 2.025 10 30 DEEERN CC[C@H]1CN(c2cc(C(C)=O)ccc2C#N)CCN1C[C@H](C)O ZINC000302038471 403706080 /nfs/dbraw/zinc/70/60/80/403706080.db2.gz QIWXGUHDASTDPU-GUYCJALGSA-N 0 0 315.417 2.042 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000288055587 403716620 /nfs/dbraw/zinc/71/66/20/403716620.db2.gz FLQMNWVAHXVZRG-ROUUACIJSA-N 0 0 313.445 2.357 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1nnc(C)[nH]1 ZINC000288134352 403731442 /nfs/dbraw/zinc/73/14/42/403731442.db2.gz LBCPDJVKICRVHV-SWLSCSKDSA-N 0 0 311.389 2.108 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000288540559 403757219 /nfs/dbraw/zinc/75/72/19/403757219.db2.gz UPIQYLCCDXTQSK-OAHLLOKOSA-N 0 0 307.752 2.292 10 30 DEEERN C=C[C@@](C)(CC)c1nc(-c2ccnc(S(C)(=O)=O)c2)no1 ZINC000289042696 403814523 /nfs/dbraw/zinc/81/45/23/403814523.db2.gz XODLQVRYBJQNHW-AWEZNQCLSA-N 0 0 307.375 2.389 10 30 DEEERN CC(C)(C)OC(=O)N1CC(N[C@@H](C#N)Cc2ccccc2)C1 ZINC000409442309 403826776 /nfs/dbraw/zinc/82/67/76/403826776.db2.gz UQICRTLCUDPZJK-CQSZACIVSA-N 0 0 301.390 2.330 10 30 DEEERN C#CC[C@H](NS(=O)(=O)[C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000295215665 403799150 /nfs/dbraw/zinc/79/91/50/403799150.db2.gz VDAUIRVVQVSXDG-BMFZPTHFSA-N 0 0 307.415 2.238 10 30 DEEERN C=C[C@@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000362372653 403949493 /nfs/dbraw/zinc/94/94/93/403949493.db2.gz ZTLKBFHGTQYANZ-MCIONIFRSA-N 0 0 318.421 2.069 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H]1C(C)C ZINC000289678313 403991500 /nfs/dbraw/zinc/99/15/00/403991500.db2.gz NEBRTSVVECGPFR-KGLIPLIRSA-N 0 0 306.410 2.177 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000344263536 404016463 /nfs/dbraw/zinc/01/64/63/404016463.db2.gz CWWHSBSTZRUIGS-JSGCOSHPSA-N 0 0 322.453 2.491 10 30 DEEERN C=CCC[C@H](CO)NS(=O)(=O)c1cccc2ccccc21 ZINC000316573565 404027782 /nfs/dbraw/zinc/02/77/82/404027782.db2.gz GQTRWVXMJKAKNA-CQSZACIVSA-N 0 0 305.399 2.445 10 30 DEEERN C=CCN1CC[C@H](N2CCC[C@@]3(C2)OCc2ccccc23)C1=O ZINC000337204321 403972986 /nfs/dbraw/zinc/97/29/86/403972986.db2.gz IUTONQQLVROSHX-HKUYNNGSSA-N 0 0 312.413 2.295 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000362619291 403976421 /nfs/dbraw/zinc/97/64/21/403976421.db2.gz ACEMTRFZKKEYRG-SNPRPXQTSA-N 0 0 302.374 2.111 10 30 DEEERN CC(C)(C)SCCCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000363113079 404078404 /nfs/dbraw/zinc/07/84/04/404078404.db2.gz XTHGONWEQNLQHE-AWEZNQCLSA-N 0 0 309.479 2.497 10 30 DEEERN Cc1c([C@H]2OCC[C@@H]2NC(=O)c2cccc(C#N)c2)cnn1C ZINC000328609640 404114030 /nfs/dbraw/zinc/11/40/30/404114030.db2.gz FKEHHVZMJPBMAT-JKSUJKDBSA-N 0 0 310.357 2.435 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)CC[C@H]3CCCO3)C2)n1 ZINC000328612938 404114072 /nfs/dbraw/zinc/11/40/72/404114072.db2.gz QDOYJHKEBOSPDM-UONOGXRCSA-N 0 0 320.393 2.224 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CCC(C(=O)N(CC)CC)CC1 ZINC000352038048 404103242 /nfs/dbraw/zinc/10/32/42/404103242.db2.gz CUUHWALURRXMGN-SFHVURJKSA-N 0 0 324.465 2.322 10 30 DEEERN C[C@H](OCC1CC1)C(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000328643334 404122068 /nfs/dbraw/zinc/12/20/68/404122068.db2.gz YTLUIDBPKKOZJK-TUKIKUTGSA-N 0 0 307.394 2.412 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NS(=O)(=O)CC(C)(C)CC#N ZINC000296237229 404158171 /nfs/dbraw/zinc/15/81/71/404158171.db2.gz XKXJQNKZCZNCAP-MRXNPFEDSA-N 0 0 318.442 2.480 10 30 DEEERN C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCOC[C@@H]1C ZINC000290413854 404160031 /nfs/dbraw/zinc/16/00/31/404160031.db2.gz PIFWITUYMSPZTK-ZDUSSCGKSA-N 0 0 316.380 2.419 10 30 DEEERN CN(C[C@@H]1CCCOC1)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328880239 404166550 /nfs/dbraw/zinc/16/65/50/404166550.db2.gz LSNRFYWSYJGLJC-NJZAAPMLSA-N 0 0 309.410 2.156 10 30 DEEERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000328965109 404183647 /nfs/dbraw/zinc/18/36/47/404183647.db2.gz MDGKJBCHHJMZAY-LEPBTCBTSA-N 0 0 321.421 2.350 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)N(CC)CCc1nccs1 ZINC000352238163 404238943 /nfs/dbraw/zinc/23/89/43/404238943.db2.gz NNMYHDHKCKAAIC-ZDUSSCGKSA-N 0 0 323.462 2.395 10 30 DEEERN C[C@H]1OCC[C@H]1NC(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000329226378 404271874 /nfs/dbraw/zinc/27/18/74/404271874.db2.gz HICFRPDYTUHHBR-GMTAPVOTSA-N 0 0 300.424 2.068 10 30 DEEERN Cc1nccn1CCNC(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329558112 404375865 /nfs/dbraw/zinc/37/58/65/404375865.db2.gz FHDKNWWXZBZKFU-MRXNPFEDSA-N 0 0 320.437 2.387 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000355907620 404375993 /nfs/dbraw/zinc/37/59/93/404375993.db2.gz BBIIKZYBEXXAOB-ROUUACIJSA-N 0 0 301.386 2.362 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000356016901 404386293 /nfs/dbraw/zinc/38/62/93/404386293.db2.gz ZVAOSWLJZYBJTG-HUUCEWRRSA-N 0 0 324.465 2.369 10 30 DEEERN CC(C)N1C[C@H](NC(=O)N2CC3(CCC3)[C@H]2C2CC2)CC1=O ZINC000329619895 404396178 /nfs/dbraw/zinc/39/61/78/404396178.db2.gz GOXBQGFTKCGBIW-UKRRQHHQSA-N 0 0 305.422 2.174 10 30 DEEERN CO[C@@](C)(CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)C1CC1 ZINC000329625834 404398706 /nfs/dbraw/zinc/39/87/06/404398706.db2.gz OQOGBLJQQMXGDT-XPKDYRNWSA-N 0 0 307.394 2.269 10 30 DEEERN C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCCNC(=O)[C@H]1C ZINC000329965473 404509611 /nfs/dbraw/zinc/50/96/11/404509611.db2.gz VDYMXDVXPDEGQU-NWDGAFQWSA-N 0 0 309.410 2.489 10 30 DEEERN O=C(CC[C@@H]1CCOC1)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000329988777 404517313 /nfs/dbraw/zinc/51/73/13/404517313.db2.gz UQRSYUCTMBVYOV-RDBSUJKOSA-N 0 0 322.384 2.167 10 30 DEEERN C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H]2Cn2ccnc2)CCO1 ZINC000329762342 404443922 /nfs/dbraw/zinc/44/39/22/404443922.db2.gz SNLAJJISDDSSMA-BZUAXINKSA-N 0 0 320.437 2.467 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)NCC[C@@H]2CCOC2)cc1 ZINC000344937877 404458274 /nfs/dbraw/zinc/45/82/74/404458274.db2.gz BIUWFJDKOCOJRA-CYBMUJFWSA-N 0 0 317.389 2.151 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N(C)[C@@H]1CCOC1 ZINC000351175799 404525410 /nfs/dbraw/zinc/52/54/10/404525410.db2.gz ZBHGHLSTSWGZAI-CYBMUJFWSA-N 0 0 302.378 2.067 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1[C@@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000330405648 404651169 /nfs/dbraw/zinc/65/11/69/404651169.db2.gz YANDNMYJSMGYHL-QRTUWBSPSA-N 0 0 309.406 2.299 10 30 DEEERN C=CCNC(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000345277633 404653814 /nfs/dbraw/zinc/65/38/14/404653814.db2.gz MNYJPOLUAIYRDC-NWDGAFQWSA-N 0 0 306.366 2.344 10 30 DEEERN Cc1cnc([C@H](C)NC(=O)N2CCc3cncnc3C2)s1 ZINC000330326999 404627022 /nfs/dbraw/zinc/62/70/22/404627022.db2.gz VIPLXSUOAZOYEM-JTQLQIEISA-N 0 0 303.391 2.275 10 30 DEEERN C=C(Cl)CNC(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000374014300 404669589 /nfs/dbraw/zinc/66/95/89/404669589.db2.gz MZRUVOGVEHUHQW-SGMGOOAPSA-N 0 0 302.802 2.107 10 30 DEEERN C=CCOc1ccc(CNC(=O)NCC2(CCO)CC2)cc1 ZINC000357145287 404728654 /nfs/dbraw/zinc/72/86/54/404728654.db2.gz UZMLSIWBPUWGAN-UHFFFAOYSA-N 0 0 304.390 2.213 10 30 DEEERN C#Cc1ccccc1CC(=O)N[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000365981337 404747893 /nfs/dbraw/zinc/74/78/93/404747893.db2.gz NRIDWTYTATWVQO-GOSISDBHSA-N 0 0 316.364 2.234 10 30 DEEERN C=CCCCCCN(C)C(=O)NCCc1nnc2n1CCC2 ZINC000358037249 404751188 /nfs/dbraw/zinc/75/11/88/404751188.db2.gz MPOHLKFTSGXPHF-UHFFFAOYSA-N 0 0 305.426 2.155 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@@H](C)c1noc(COCC)n1)OCC ZINC000358377693 404760527 /nfs/dbraw/zinc/76/05/27/404760527.db2.gz AWWJXCNCKIMQER-RYUDHWBXSA-N 0 0 311.382 2.155 10 30 DEEERN C=C(Br)CN1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000374474108 404707466 /nfs/dbraw/zinc/70/74/66/404707466.db2.gz VXXCZMAYNIRUCB-LBPRGKRZSA-N 0 0 314.227 2.319 10 30 DEEERN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCC(C)(C#N)CC2)C1 ZINC000356986139 404723761 /nfs/dbraw/zinc/72/37/61/404723761.db2.gz YMKRIJJSZFPHAI-CQSZACIVSA-N 0 0 319.449 2.423 10 30 DEEERN C=CCN(CCC#N)C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000359394008 404791841 /nfs/dbraw/zinc/79/18/41/404791841.db2.gz RWKXETJVRNERDD-HUUCEWRRSA-N 0 0 312.369 2.490 10 30 DEEERN N#C[C@H]1CN(CCCc2ccc3c(c2)CCO3)CCN1C1CC1 ZINC000366460778 404794949 /nfs/dbraw/zinc/79/49/49/404794949.db2.gz JJSFOBYXTZVZFS-SFHVURJKSA-N 0 0 311.429 2.226 10 30 DEEERN C#C[C@@H](C)NC(=O)N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000376923522 404830323 /nfs/dbraw/zinc/83/03/23/404830323.db2.gz RZIYKHWORYIUSU-OLZOCXBDSA-N 0 0 309.410 2.097 10 30 DEEERN N#CC1(C(=O)N2CCO[C@H](COc3ccccc3)C2)CCCC1 ZINC000360575498 404831775 /nfs/dbraw/zinc/83/17/75/404831775.db2.gz YHADSXGATSKRFQ-INIZCTEOSA-N 0 0 314.385 2.377 10 30 DEEERN C=CCOCCNC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000360638549 404833161 /nfs/dbraw/zinc/83/31/61/404833161.db2.gz OGRWQEDXYNDIBQ-QGZVFWFLSA-N 0 0 317.433 2.499 10 30 DEEERN C=CCN(CCOC)C(=O)c1ccc(-c2ccccn2)[nH]c1=O ZINC000361066166 404901672 /nfs/dbraw/zinc/90/16/72/404901672.db2.gz BXUJAVJURISWKU-UHFFFAOYSA-N 0 0 313.357 2.124 10 30 DEEERN Cn1ccnc1[C@H]1CCN(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000366924727 404871617 /nfs/dbraw/zinc/87/16/17/404871617.db2.gz YIAIVCJFYKGBCE-NRXISQOPSA-N 0 0 315.421 2.249 10 30 DEEERN C=CCC[C@H](NC(=O)N(C)Cc1nnnn1C)c1ccccc1 ZINC000435101456 404957239 /nfs/dbraw/zinc/95/72/39/404957239.db2.gz PJIHDFONXSVUIX-AWEZNQCLSA-N 0 0 314.393 2.059 10 30 DEEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000434603433 404913045 /nfs/dbraw/zinc/91/30/45/404913045.db2.gz BBOHHJNACWYYSB-VHSXEESVSA-N 0 0 307.419 2.287 10 30 DEEERN COc1cccc2c1CCN(C(=O)c1cc(C#N)[nH]c1C)CC2 ZINC000451258032 404925764 /nfs/dbraw/zinc/92/57/64/404925764.db2.gz AAJADOYHHUWKDY-UHFFFAOYSA-N 0 0 309.369 2.444 10 30 DEEERN C=CCOc1ccc(CC(=O)N(CCOC)[C@@H]2CCOC2)cc1 ZINC000451280947 404937784 /nfs/dbraw/zinc/93/77/84/404937784.db2.gz IEZBZOVSBBJUAJ-MRXNPFEDSA-N 0 0 319.401 2.058 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC000367349950 405020108 /nfs/dbraw/zinc/02/01/08/405020108.db2.gz WIUWIHFBQGTZSG-IRXDYDNUSA-N 0 0 307.397 2.196 10 30 DEEERN CC(=O)N(CCC(=O)Nc1cc(C#N)ccn1)Cc1ccccc1 ZINC000436011847 405036296 /nfs/dbraw/zinc/03/62/96/405036296.db2.gz RAZHQKHKSZDANB-UHFFFAOYSA-N 0 0 322.368 2.331 10 30 DEEERN C[C@H](C(=O)N(C)c1ccc(F)c(Cl)c1)n1cnc(C#N)n1 ZINC000361263533 404998410 /nfs/dbraw/zinc/99/84/10/404998410.db2.gz UHSGIGQPAOEJKN-MRVPVSSYSA-N 0 0 307.716 2.166 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000361490321 405098187 /nfs/dbraw/zinc/09/81/87/405098187.db2.gz KGKRWCRZTSENNW-NSHDSACASA-N 0 0 318.339 2.354 10 30 DEEERN N#Cc1ccnc(C(=O)N2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000407995326 405087052 /nfs/dbraw/zinc/08/70/52/405087052.db2.gz IKHJIEDWVLKZQG-LJQANCHMSA-N 0 0 319.364 2.267 10 30 DEEERN C#CCCCS(=O)(=O)N(C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000367787807 405155377 /nfs/dbraw/zinc/15/53/77/405155377.db2.gz UCABGDWWVVRUKZ-CJNGLKHVSA-N 0 0 307.415 2.054 10 30 DEEERN C#CC[C@H](NC(=O)N1CCn2cc(C)nc2C1)c1ccccc1 ZINC000367785709 405153914 /nfs/dbraw/zinc/15/39/14/405153914.db2.gz WCBSIPVSOQWYGT-INIZCTEOSA-N 0 0 308.385 2.481 10 30 DEEERN C=CCOCCNC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000367889519 405185049 /nfs/dbraw/zinc/18/50/49/405185049.db2.gz BLWVWZYPHYXHIG-CQSZACIVSA-N 0 0 322.792 2.012 10 30 DEEERN Cc1ncc(S(=O)(=O)N2C[C@@H](C)CCC[C@H]2C)cc1C#N ZINC000408362951 405186486 /nfs/dbraw/zinc/18/64/86/405186486.db2.gz SGJGZCBKBSRRNK-NWDGAFQWSA-N 0 0 307.419 2.461 10 30 DEEERN COC[C@@](C)(NC(=O)COc1ccccc1C#N)C(F)(F)F ZINC000437192079 405188441 /nfs/dbraw/zinc/18/84/41/405188441.db2.gz WTKANRNZAKMWIP-CYBMUJFWSA-N 0 0 316.279 2.021 10 30 DEEERN C=CCC1(C(=O)N2C[C@H](CO)c3ccccc32)CCOCC1 ZINC000424842041 405193763 /nfs/dbraw/zinc/19/37/63/405193763.db2.gz IJMQGONYAOWOKR-CQSZACIVSA-N 0 0 301.386 2.482 10 30 DEEERN C=CCCn1cc(C(=O)NC[C@@H]2CCO[C@H](C(C)C)C2)nn1 ZINC000424865360 405200028 /nfs/dbraw/zinc/20/00/28/405200028.db2.gz DATJOKAJBFUJJH-HIFRSBDPSA-N 0 0 306.410 2.035 10 30 DEEERN C=CCCn1cc(C(=O)NC[C@H]2CCO[C@@H](C(C)C)C2)nn1 ZINC000424865358 405200605 /nfs/dbraw/zinc/20/06/05/405200605.db2.gz DATJOKAJBFUJJH-DZGCQCFKSA-N 0 0 306.410 2.035 10 30 DEEERN CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)C[C@@H]1O ZINC000408428700 405203895 /nfs/dbraw/zinc/20/38/95/405203895.db2.gz VOOFVRFBYDGPIH-HIFRSBDPSA-N 0 0 302.374 2.133 10 30 DEEERN N#Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2O)c1Br ZINC000408450759 405209549 /nfs/dbraw/zinc/20/95/49/405209549.db2.gz GBGAYLPXGKRTQJ-NWDGAFQWSA-N 0 0 323.190 2.354 10 30 DEEERN CCC(C)(C)NC(=O)CN1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000408453337 405209805 /nfs/dbraw/zinc/20/98/05/405209805.db2.gz TWTRLJHVFLGTOT-YOEHRIQHSA-N 0 0 307.438 2.218 10 30 DEEERN C=CCn1cc(CNC(=O)CCCc2cc(F)ccc2F)nn1 ZINC000424910135 405211179 /nfs/dbraw/zinc/21/11/79/405211179.db2.gz XPERLFGALSUOAN-UHFFFAOYSA-N 0 0 320.343 2.381 10 30 DEEERN N#Cc1ccc(C(F)(F)F)nc1N1CCC(n2ccnn2)CC1 ZINC000368035708 405221172 /nfs/dbraw/zinc/22/11/72/405221172.db2.gz HCSRZUPUOPVWRZ-UHFFFAOYSA-N 0 0 322.294 2.405 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCN(c2ccccc2F)C1 ZINC000424927669 405213971 /nfs/dbraw/zinc/21/39/71/405213971.db2.gz XDLNKCYCFNCPAB-ZQIUZPCESA-N 0 0 318.392 2.359 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000424925857 405213988 /nfs/dbraw/zinc/21/39/88/405213988.db2.gz QXBNTTYTHGCFKI-ZANVPECISA-N 0 0 324.308 2.063 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CNc1cc(Cl)ccc1OC ZINC000424931104 405214271 /nfs/dbraw/zinc/21/42/71/405214271.db2.gz ISVMUUOFRVAMLX-FZMZJTMJSA-N 0 0 324.808 2.468 10 30 DEEERN C=CCC1(C(=O)N[C@H](C/C=C\C)C(=O)OCC)CCOCC1 ZINC000424772305 405173832 /nfs/dbraw/zinc/17/38/32/405173832.db2.gz DTVHIESOYSMSKI-HJHHMULASA-N 0 0 309.406 2.373 10 30 DEEERN C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000408333987 405176670 /nfs/dbraw/zinc/17/66/70/405176670.db2.gz KIOCENMWZCMOHX-XKQJLSEDSA-N 0 0 314.385 2.273 10 30 DEEERN C=CC[C@H](CO)Nc1ncc(C)cc1I ZINC000425246652 405263398 /nfs/dbraw/zinc/26/33/98/405263398.db2.gz MALMFCRUVOZHMM-SECBINFHSA-N 0 0 318.158 2.344 10 30 DEEERN C=CCC[C@@H]1NC(=O)N([C@@H](CC)c2c(C)nn(C)c2C)C1=O ZINC000419942554 405274041 /nfs/dbraw/zinc/27/40/41/405274041.db2.gz GBWCIIHBGYZDRU-STQMWFEESA-N 0 0 304.394 2.375 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(OC(C)C)nc1 ZINC000425398320 405285314 /nfs/dbraw/zinc/28/53/14/405285314.db2.gz BZKJQKKWXBKSBE-GJZGRUSLSA-N 0 0 319.405 2.259 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC[C@@H](OC)C(F)(F)F ZINC000437860470 405222702 /nfs/dbraw/zinc/22/27/02/405222702.db2.gz QGDJDQHIHPKOBC-TUAOUCFPSA-N 0 0 324.343 2.234 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000437935534 405224957 /nfs/dbraw/zinc/22/49/57/405224957.db2.gz RZFPCKMHSAQKDS-QXSJWSMHSA-N 0 0 324.465 2.406 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000425210462 405258198 /nfs/dbraw/zinc/25/81/98/405258198.db2.gz RFDHAPDHOCBKNP-CHWSQXEVSA-N 0 0 317.451 2.335 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1C ZINC000425787282 405319652 /nfs/dbraw/zinc/31/96/52/405319652.db2.gz RCQQLHGXNXAAPA-FZMZJTMJSA-N 0 0 322.792 2.294 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(C)C ZINC000425788696 405319759 /nfs/dbraw/zinc/31/97/59/405319759.db2.gz VIMJTSPAMQSSKM-BBRMVZONSA-N 0 0 316.401 2.456 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000425891560 405326681 /nfs/dbraw/zinc/32/66/81/405326681.db2.gz YOHYMGMMPDWVOG-FZKCQIBNSA-N 0 0 322.449 2.025 10 30 DEEERN C=CCN1CC[C@H](N(C)Cc2ccc(-c3ccccn3)nc2)C1=O ZINC000425442978 405291446 /nfs/dbraw/zinc/29/14/46/405291446.db2.gz KTYDGQAPPOQPMW-SFHVURJKSA-N 0 0 322.412 2.362 10 30 DEEERN C=C(C)Cn1c(N(C)C[C@@H](C)C#N)nnc1[C@]1(C)CCCO1 ZINC000453464744 405292516 /nfs/dbraw/zinc/29/25/16/405292516.db2.gz LKNAPGHJWXIZTD-BBRMVZONSA-N 0 0 303.410 2.476 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1ccc(C)c(OC)c1 ZINC000425460394 405293710 /nfs/dbraw/zinc/29/37/10/405293710.db2.gz ROSJUXHMWWRBKW-HOTGVXAUSA-N 0 0 318.417 2.436 10 30 DEEERN C=CCC1(C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)CCOCC1 ZINC000425543172 405300451 /nfs/dbraw/zinc/30/04/51/405300451.db2.gz AZBBYUKXYDEMAJ-BZUAXINKSA-N 0 0 323.433 2.154 10 30 DEEERN C=CCn1cc(CNC(=O)NC[C@@H]2C[C@H]2c2ccccc2)nn1 ZINC000425548859 405301277 /nfs/dbraw/zinc/30/12/77/405301277.db2.gz XGDXRODOYBTWJS-HOCLYGCPSA-N 0 0 311.389 2.067 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@](C)(O)C1CC1 ZINC000440225033 405306628 /nfs/dbraw/zinc/30/66/28/405306628.db2.gz HYPQWCSKTOOFHU-FUHWJXTLSA-N 0 0 316.401 2.239 10 30 DEEERN C=CC(C)(C)CNC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000455382968 405403425 /nfs/dbraw/zinc/40/34/25/405403425.db2.gz KINVRXZTQOEQRU-UHFFFAOYSA-N 0 0 317.437 2.331 10 30 DEEERN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000427645978 405417177 /nfs/dbraw/zinc/41/71/77/405417177.db2.gz PEDLCGSWTRRBEC-ZSHCYNCHSA-N 0 0 314.385 2.495 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000455638080 405438357 /nfs/dbraw/zinc/43/83/57/405438357.db2.gz NCCRMBXNRUICOO-BDAKNGLRSA-N 0 0 323.340 2.230 10 30 DEEERN Cc1cc(C#N)cc(NC(=O)N2CCSC[C@@H]2CCO)c1 ZINC000456000979 405468135 /nfs/dbraw/zinc/46/81/35/405468135.db2.gz LRCVAOOZUNUJKK-AWEZNQCLSA-N 0 0 305.403 2.198 10 30 DEEERN C=CCC[C@H](CO)NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000456777617 405562733 /nfs/dbraw/zinc/56/27/33/405562733.db2.gz NHKLEFSWBQSROW-WBVHZDCISA-N 0 0 316.401 2.405 10 30 DEEERN CC#CCN(C)C(=O)N[C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000458631126 405511770 /nfs/dbraw/zinc/51/17/70/405511770.db2.gz UKZMQXHOJZMGCL-INIZCTEOSA-N 0 0 314.364 2.313 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC000633254315 405532341 /nfs/dbraw/zinc/53/23/41/405532341.db2.gz JMOIPOKMAVPGNX-CYBMUJFWSA-N 0 0 316.467 2.103 10 30 DEEERN C=CC[N@@H+](CC[C@@H]1CCNC1=O)Cc1cccc([N+](=O)[O-])c1 ZINC000577960823 405545046 /nfs/dbraw/zinc/54/50/46/405545046.db2.gz ZVYCPKGBNLXJQA-AWEZNQCLSA-N 0 0 303.362 2.109 10 30 DEEERN C=CCC(C)(C)CNC(=O)N1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000458814068 405606193 /nfs/dbraw/zinc/60/61/93/405606193.db2.gz UAPVFZCUNKNBKY-ZNMIVQPWSA-N 0 0 310.438 2.160 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Cc1ccc(-n2ccnc2)cc1 ZINC000633320288 405569674 /nfs/dbraw/zinc/56/96/74/405569674.db2.gz LJZKNOFSTFOBMO-SJORKVTESA-N 0 0 311.385 2.265 10 30 DEEERN C=CCC[C@@H](C(=O)N1CC[C@H](C(=O)NC)C1)c1ccccc1 ZINC000421651287 405574592 /nfs/dbraw/zinc/57/45/92/405574592.db2.gz JVXABRPUDCSULO-JKSUJKDBSA-N 0 0 300.402 2.331 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1coc(C(F)(F)F)n1 ZINC000635889805 405584518 /nfs/dbraw/zinc/58/45/18/405584518.db2.gz MNIFULKHZIYWRX-WCBMZHEXSA-N 0 0 304.268 2.404 10 30 DEEERN C[C@H](C(=O)N[C@@](C)(Cc1ccccc1)C1CC1)n1cnc(C#N)n1 ZINC000457011231 405655199 /nfs/dbraw/zinc/65/51/99/405655199.db2.gz HFQCUUNLEFIVQF-ACJLOTCBSA-N 0 0 323.400 2.238 10 30 DEEERN C=CCCc1ccccc1NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC000558591122 405672653 /nfs/dbraw/zinc/67/26/53/405672653.db2.gz DJRNMAJPGMBMAV-LBPRGKRZSA-N 0 0 300.358 2.281 10 30 DEEERN C=CCn1c(C(C)C)nnc1N1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000558674520 405686612 /nfs/dbraw/zinc/68/66/12/405686612.db2.gz CBHCBTSWTAZTLI-YOEHRIQHSA-N 0 0 320.437 2.362 10 30 DEEERN C=C(C)CCNC(=O)N1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000458994359 405683843 /nfs/dbraw/zinc/68/38/43/405683843.db2.gz FSCJHJSZAPIJGD-GFCCVEGCSA-N 0 0 307.360 2.478 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CCc2[nH]cnc2[C@@H]1c1ccnn1C ZINC000633529668 405699155 /nfs/dbraw/zinc/69/91/55/405699155.db2.gz KXDJCZFGBINHDF-LRDDRELGSA-N 0 0 313.405 2.220 10 30 DEEERN C=CCOc1cccc(NC(=O)N(CCO)[C@H]2CCO[C@H]2C)c1 ZINC000431979493 405704247 /nfs/dbraw/zinc/70/42/47/405704247.db2.gz DTMWBWRCYLSOSY-BBRMVZONSA-N 0 0 320.389 2.255 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000450116466 405745628 /nfs/dbraw/zinc/74/56/28/405745628.db2.gz GLDMYMWQNPMTSL-UHFFFAOYSA-N 0 0 312.329 2.470 10 30 DEEERN CN(CCCNC(=O)Cc1cccc(C#N)c1)CC(F)(F)F ZINC000530668692 405843075 /nfs/dbraw/zinc/84/30/75/405843075.db2.gz XXZOHMZHVGYWLQ-UHFFFAOYSA-N 0 0 313.323 2.101 10 30 DEEERN CCOC(=O)c1cc(NC(=O)Cc2cccc(C#N)c2)cn1C ZINC000530680560 405845672 /nfs/dbraw/zinc/84/56/72/405845672.db2.gz XPZKIRWQBXYHDQ-UHFFFAOYSA-N 0 0 311.341 2.255 10 30 DEEERN C=CCCC(C)(C)CNC(=O)[C@H](C)n1cnc2c1ncnc2N ZINC000633966474 405933471 /nfs/dbraw/zinc/93/34/71/405933471.db2.gz MOTOVQUGKSVBJE-NSHDSACASA-N 0 0 316.409 2.078 10 30 DEEERN Cc1nnnn1-c1cccc(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000531384423 405950691 /nfs/dbraw/zinc/95/06/91/405950691.db2.gz YYZDXOOBXDTGDW-UHFFFAOYSA-N 0 0 318.340 2.024 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000434042604 406013295 /nfs/dbraw/zinc/01/32/95/406013295.db2.gz PMWLONNCFTZXRY-UTUOFQBUSA-N 0 0 309.328 2.129 10 30 DEEERN C=C[C@H]1CCCCN1Cc1nc(-c2cc(OC)ncn2)no1 ZINC000562534896 406029030 /nfs/dbraw/zinc/02/90/30/406029030.db2.gz JVVSMAJDOBBVMU-NSHDSACASA-N 0 0 301.350 2.076 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000450969205 406005457 /nfs/dbraw/zinc/00/54/57/406005457.db2.gz ZEQPCAPCENJSBQ-GOSISDBHSA-N 0 0 304.353 2.078 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1N1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000565882550 406083930 /nfs/dbraw/zinc/08/39/30/406083930.db2.gz IFPYGQUJGPVQRV-JKIFEVAISA-N 0 0 318.348 2.326 10 30 DEEERN C=CCNC(=O)CNC(=O)CCc1ccc(F)c2c1CCCC2 ZINC000632320567 406091738 /nfs/dbraw/zinc/09/17/38/406091738.db2.gz MZXMZBUQMPGRIK-UHFFFAOYSA-N 0 0 318.392 2.056 10 30 DEEERN C=CCNC(=O)CNC(=O)[C@H](c1cccnc1)C1CCCCC1 ZINC000632320903 406091881 /nfs/dbraw/zinc/09/18/81/406091881.db2.gz TXJLEDHJJDLLPF-KRWDZBQOSA-N 0 0 315.417 2.164 10 30 DEEERN N#CC1CCC(CNC(=O)N[C@H]2Cc3cccc(O)c3C2)CC1 ZINC000567317039 406095239 /nfs/dbraw/zinc/09/52/39/406095239.db2.gz PCBRPHPJFJCTKG-PIMMBPRGSA-N 0 0 313.401 2.489 10 30 DEEERN C=CCCCNC(=O)C(=O)N1CCC(Cc2nccs2)CC1 ZINC000636835959 406095242 /nfs/dbraw/zinc/09/52/42/406095242.db2.gz YYSSTGHDDWLAOD-UHFFFAOYSA-N 0 0 321.446 2.007 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC1(CO)CC2(CCC2)C1 ZINC000567448664 406096660 /nfs/dbraw/zinc/09/66/60/406096660.db2.gz STEIZCHTMNKFLZ-GJZGRUSLSA-N 0 0 322.449 2.210 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NC[C@H](C)c1nccs1 ZINC000636845361 406097681 /nfs/dbraw/zinc/09/76/81/406097681.db2.gz NAXVXSZVAIMGEN-NSHDSACASA-N 0 0 309.435 2.081 10 30 DEEERN COC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(C#N)n1C ZINC000451113154 406054988 /nfs/dbraw/zinc/05/49/88/406054988.db2.gz BGOQZFKEOVAPNJ-INIZCTEOSA-N 0 0 311.385 2.226 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C)c1c(C)noc1C ZINC000636717204 406061469 /nfs/dbraw/zinc/06/14/69/406061469.db2.gz DAWYZKPINCBQJS-SNVBAGLBSA-N 0 0 307.394 2.187 10 30 DEEERN N#Cc1ccc(C[C@H](C#N)C(=O)NCCOCC2CCC2)cc1 ZINC000564747782 406065484 /nfs/dbraw/zinc/06/54/84/406065484.db2.gz FDUVKEOTVGMDDG-QGZVFWFLSA-N 0 0 311.385 2.173 10 30 DEEERN C=CCCCCCNC(=O)CCc1nc(-c2ncccn2)no1 ZINC000565162348 406069918 /nfs/dbraw/zinc/06/99/18/406069918.db2.gz MDHZTIWEAZBLTC-UHFFFAOYSA-N 0 0 315.377 2.322 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC000637073051 406167861 /nfs/dbraw/zinc/16/78/61/406167861.db2.gz KACGBHABJOPHFW-OAHLLOKOSA-N 0 0 301.390 2.074 10 30 DEEERN C=CCn1c(COCCOC)nnc1N1CC[C@H](C(C)C)C1 ZINC000634339463 406106240 /nfs/dbraw/zinc/10/62/40/406106240.db2.gz HKZYVBGDOKQAIA-AWEZNQCLSA-N 0 0 308.426 2.109 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CCCC[C@H](C)C1 ZINC000517294958 406125694 /nfs/dbraw/zinc/12/56/94/406125694.db2.gz JAHSEALVRPFHGH-LBPRGKRZSA-N 0 0 315.425 2.194 10 30 DEEERN C=CCN(Cc1c(C)cc(C)nc1C)[C@H]1CCS(=O)(=O)C1 ZINC000639531560 406131893 /nfs/dbraw/zinc/13/18/93/406131893.db2.gz JXOLKQNUQOAQPZ-HNNXBMFYSA-N 0 0 308.447 2.182 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H]1CC12CCSCC2 ZINC000636974858 406137958 /nfs/dbraw/zinc/13/79/58/406137958.db2.gz MHJUTSJXGZDRHU-ZDUSSCGKSA-N 0 0 324.490 2.354 10 30 DEEERN C=CCCOCCNC(=O)N[C@@](C)(CO)Cc1ccccc1F ZINC000636983258 406141329 /nfs/dbraw/zinc/14/13/29/406141329.db2.gz GPDZZFVFATWZMB-QGZVFWFLSA-N 0 0 324.396 2.011 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000637000194 406145797 /nfs/dbraw/zinc/14/57/97/406145797.db2.gz SXMAZDGBPGLUOV-LSDHHAIUSA-N 0 0 322.449 2.169 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H](C)c1ccccn1 ZINC000637040289 406158680 /nfs/dbraw/zinc/15/86/80/406158680.db2.gz CPZOVPCQARMDIR-CYBMUJFWSA-N 0 0 303.406 2.020 10 30 DEEERN C=CCC1(CNC(=O)N2C[C@@H](OC)C[C@]2(C)CO)CCCC1 ZINC000637197208 406208443 /nfs/dbraw/zinc/20/84/43/406208443.db2.gz CMPIEABAIPSCGF-GOEBONIOSA-N 0 0 310.438 2.304 10 30 DEEERN CC(=O)c1cccc(S(=O)(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000632665297 406220011 /nfs/dbraw/zinc/22/00/11/406220011.db2.gz LJFMHOJHFSUEJR-UKRRQHHQSA-N 0 0 306.387 2.202 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCc1nc([C@H]2CCCO2)n[nH]1 ZINC000637255885 406230584 /nfs/dbraw/zinc/23/05/84/406230584.db2.gz XHEDUGZBXOEDIB-LLVKDONJSA-N 0 0 307.398 2.058 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1cccnc1C ZINC000637090859 406174237 /nfs/dbraw/zinc/17/42/37/406174237.db2.gz PKCKHIPHTMNYRE-HOCLYGCPSA-N 0 0 315.417 2.257 10 30 DEEERN C=CC(C)(C)CCNC(=O)NC[C@H](O)COc1ccccc1 ZINC000637319504 406256275 /nfs/dbraw/zinc/25/62/75/406256275.db2.gz CVLGZPXOAIIOPW-AWEZNQCLSA-N 0 0 306.406 2.328 10 30 DEEERN C=CC(C)(C)CCNC(=O)NCc1nnc(C2CCOCC2)[nH]1 ZINC000637325222 406259699 /nfs/dbraw/zinc/25/96/99/406259699.db2.gz QPEMTIZJNPAVKQ-UHFFFAOYSA-N 0 0 321.425 2.100 10 30 DEEERN C=C1CC(C)(C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)C1 ZINC000633002368 406350997 /nfs/dbraw/zinc/35/09/97/406350997.db2.gz IOYYEKNJUBNAIY-UHFFFAOYSA-N 0 0 312.366 2.029 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000540916646 406297630 /nfs/dbraw/zinc/29/76/30/406297630.db2.gz PTMCLBFIVYWOIJ-UHFFFAOYSA-N 0 0 301.302 2.454 10 30 DEEERN CCc1cc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)on1 ZINC000541868522 406300682 /nfs/dbraw/zinc/30/06/82/406300682.db2.gz FAFGCLLHKWOKKB-MRXNPFEDSA-N 0 0 321.377 2.115 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000637648604 406377888 /nfs/dbraw/zinc/37/78/88/406377888.db2.gz JQOSUTIOYWQKAJ-HEHGZKQESA-N 0 0 322.405 2.426 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccncc1Br ZINC000571158638 406484144 /nfs/dbraw/zinc/48/41/44/406484144.db2.gz QDFJKMMQMXXVPV-CABZTGNLSA-N 0 0 311.179 2.165 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000571384600 406512659 /nfs/dbraw/zinc/51/26/59/406512659.db2.gz XMBBCHCUFRQPIS-IMJJTQAJSA-N 0 0 319.380 2.047 10 30 DEEERN C=CCCCN(C)C(=O)CCSc1ncnc2[nH]cnc21 ZINC000635583766 406602477 /nfs/dbraw/zinc/60/24/77/406602477.db2.gz IYYQJZVJWYOQRO-UHFFFAOYSA-N 0 0 305.407 2.260 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N(C)Cc1nc([C@@H](C)OC)no1 ZINC000572988615 406768355 /nfs/dbraw/zinc/76/83/55/406768355.db2.gz LMXHLJXFYXLYIZ-LLVKDONJSA-N 0 0 320.397 2.143 10 30 DEEERN CC1(C)C(c2cccs2)=[N+]([O-])[C@]2(CCCCCC2=O)N1O ZINC000575332768 406807080 /nfs/dbraw/zinc/80/70/80/406807080.db2.gz ZYLAKZISXFGEJC-BMOGTNHUSA-N 0 0 309.411 2.057 10 30 DEEERN COC(=O)Cc1ccc([N+](=O)[O-])c(C#N)c1OC(F)(F)F ZINC000575395801 406809163 /nfs/dbraw/zinc/80/91/63/406809163.db2.gz RFISLFQQIJZYOW-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN COC(=O)Cc1ccc(C#N)c(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575395920 406809868 /nfs/dbraw/zinc/80/98/68/406809868.db2.gz WJSRANYYGZAJLE-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN COC(=O)Cc1c(C#N)ccc([N+](=O)[O-])c1OC(F)(F)F ZINC000575395961 406809954 /nfs/dbraw/zinc/80/99/54/406809954.db2.gz YFVQIWOMEZOMTJ-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)Cc1ccc(C)c(F)c1 ZINC000575918089 406827475 /nfs/dbraw/zinc/82/74/75/406827475.db2.gz BRFAPALRWTTXJJ-ZFWWWQNUSA-N 0 0 313.394 2.145 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000577355036 406836482 /nfs/dbraw/zinc/83/64/82/406836482.db2.gz CORHRTLZSXJBQD-CFVMTHIKSA-N 0 0 300.358 2.175 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000555256856 406838460 /nfs/dbraw/zinc/83/84/60/406838460.db2.gz VZUNROAPGUYRCI-JKIFEVAISA-N 0 0 320.437 2.325 10 30 DEEERN N#Cc1cccc(CC(=O)NCC[C@H]2COc3ccccc3O2)c1 ZINC000570222970 292470438 /nfs/dbraw/zinc/47/04/38/292470438.db2.gz WARKPQMAJNXFMJ-INIZCTEOSA-N 0 0 322.364 2.447 10 30 DEEERN O=C(NCCCC(F)(F)F)c1cc(F)ccc1C#CCO ZINC000131047676 196134745 /nfs/dbraw/zinc/13/47/45/196134745.db2.gz OVTMLWPKJFRGBW-UHFFFAOYSA-N 0 0 303.255 2.242 10 30 DEEERN N#Cc1cc(Br)ccc1NCCCn1ccnn1 ZINC000131266682 196155181 /nfs/dbraw/zinc/15/51/81/196155181.db2.gz LOYIHYPOBXPHOR-UHFFFAOYSA-N 0 0 306.167 2.414 10 30 DEEERN C[C@H](NS(=O)(=O)CCCC#N)c1ccccc1-n1cccn1 ZINC000131826680 196201696 /nfs/dbraw/zinc/20/16/96/196201696.db2.gz SFGPFIYASFZTDZ-ZDUSSCGKSA-N 0 0 318.402 2.156 10 30 DEEERN C=CCN(c1ncncc1I)C(C)C ZINC000131918379 196209736 /nfs/dbraw/zinc/20/97/36/196209736.db2.gz MXBXOMNCKYVSJA-UHFFFAOYSA-N 0 0 303.147 2.482 10 30 DEEERN N#Cc1cc(Br)ccc1NC1CCN(C(N)=O)CC1 ZINC000132270548 196241138 /nfs/dbraw/zinc/24/11/38/196241138.db2.gz DDPSFQDYCRTOLU-UHFFFAOYSA-N 0 0 323.194 2.276 10 30 DEEERN N#Cc1ccnc(NCC[C@H]2C(=O)Nc3ccccc32)c1[N+](=O)[O-] ZINC000132599544 196269541 /nfs/dbraw/zinc/26/95/41/196269541.db2.gz YVOORSAQYJVBLM-GFCCVEGCSA-N 0 0 323.312 2.399 10 30 DEEERN C=CCn1ncc(NCc2cccnc2OC)c(Cl)c1=O ZINC000133854697 196340201 /nfs/dbraw/zinc/34/02/01/196340201.db2.gz CYXXERIRTFGNKX-UHFFFAOYSA-N 0 0 306.753 2.098 10 30 DEEERN C#CC[C@H](CC)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000133896990 196344341 /nfs/dbraw/zinc/34/43/41/196344341.db2.gz MVIVDTAMOLFAQJ-VIFPVBQESA-N 0 0 316.766 2.328 10 30 DEEERN C=CCCCN(C)C(=O)[C@H]1CCCN1S(=O)(=O)CCCC ZINC000135107075 196445052 /nfs/dbraw/zinc/44/50/52/196445052.db2.gz HDUDEIKWVDLTKB-CQSZACIVSA-N 0 0 316.467 2.005 10 30 DEEERN C=CCN(C(=O)c1cc(C)cc(S(N)(=O)=O)c1)C(C)(C)C ZINC000137106799 196565279 /nfs/dbraw/zinc/56/52/79/196565279.db2.gz ZPHGRSJLJLKSQB-UHFFFAOYSA-N 0 0 310.419 2.069 10 30 DEEERN N#CCCN(Cc1cccnc1)C(=O)c1cnn2c1CCCC2 ZINC000126990421 224623670 /nfs/dbraw/zinc/62/36/70/224623670.db2.gz PIZHOZLOOPCAMH-UHFFFAOYSA-N 0 0 309.373 2.170 10 30 DEEERN Cc1ccc([C@@]2(C)NC(=O)N(CC#Cc3ccccc3)C2=O)o1 ZINC000187943344 225003500 /nfs/dbraw/zinc/00/35/00/225003500.db2.gz SXXNFQVPNVKLTB-GOSISDBHSA-N 0 0 308.337 2.407 10 30 DEEERN Cn1cc(C#N)cc1C(O)=C(C#N)c1cnc2ccccc2n1 ZINC000190991287 225100626 /nfs/dbraw/zinc/10/06/26/225100626.db2.gz MCJDDQXATYILOH-LBPRGKRZSA-N 0 0 301.309 2.330 10 30 DEEERN C[C@H](C(=O)NCCc1nc2c(s1)CCCC2)N1CCOCC1 ZINC000328779030 225797442 /nfs/dbraw/zinc/79/74/42/225797442.db2.gz UAWGLJFXVOMRMU-GFCCVEGCSA-N 0 0 323.462 2.242 10 30 DEEERN O=C(N[C@H]1CCc2c[nH]nc2C1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330059412 225963012 /nfs/dbraw/zinc/96/30/12/225963012.db2.gz KWUNLFLQLYWZPC-OFQRWUPVSA-N 0 0 312.373 2.396 10 30 DEEERN Cn1c2ccc(NC(=O)[C@]3(C)CCCNC3=O)cc2n(C)c1=O ZINC000330212249 225981188 /nfs/dbraw/zinc/98/11/88/225981188.db2.gz DNNHBFSYGJNSNA-MRXNPFEDSA-N 0 0 316.361 2.222 10 30 DEEERN N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000333262595 226103886 /nfs/dbraw/zinc/10/38/86/226103886.db2.gz UUCFYCKYBILLDV-VQJWOFKYSA-N 0 0 303.406 2.326 10 30 DEEERN Cc1csc(NC2CCN(C(=O)CSCC#N)CC2)n1 ZINC000364280170 226929143 /nfs/dbraw/zinc/92/91/43/226929143.db2.gz PSIPVMBXHDLGRA-UHFFFAOYSA-N 0 0 310.448 2.111 10 30 DEEERN Cc1cccc2c(CC(=O)N3CCN(C4CC4)[C@H](C#N)C3)c[nH]c21 ZINC000365480219 226948911 /nfs/dbraw/zinc/94/89/11/226948911.db2.gz QGXHODHVQQTKAR-MRXNPFEDSA-N 0 0 322.412 2.218 10 30 DEEERN N#C[C@@H]1CN(C(=O)CCc2c[nH]c3ccccc23)CCN1C1CC1 ZINC000370994233 227062386 /nfs/dbraw/zinc/06/23/86/227062386.db2.gz SEMOSRCEPPCEOS-MRXNPFEDSA-N 0 0 322.412 2.299 10 30 DEEERN C=C1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 ZINC000290711465 221861564 /nfs/dbraw/zinc/86/15/64/221861564.db2.gz JLQBOSJJCJPSJZ-UHFFFAOYSA-N 0 0 313.375 2.024 10 30 DEEERN N#C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C1CC1 ZINC000374663531 227138081 /nfs/dbraw/zinc/13/80/81/227138081.db2.gz NCDNMMFZYPVHEX-CQSZACIVSA-N 0 0 320.780 2.420 10 30 DEEERN Cc1nc(C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)ccc1C#N ZINC000375591717 227152948 /nfs/dbraw/zinc/15/29/48/227152948.db2.gz NWMXJAQFUNSHSO-ZDUSSCGKSA-N 0 0 323.356 2.152 10 30 DEEERN C[C@H](CC(=O)N1CCN(C(=O)CC#N)CC1)C1CCCCC1 ZINC000408061310 227228168 /nfs/dbraw/zinc/22/81/68/227228168.db2.gz FONZYABUMGPOCE-CQSZACIVSA-N 0 0 305.422 2.177 10 30 DEEERN N#CC1(C(=O)N2CCN(c3nc4ccccc4o3)CC2)CCC1 ZINC000408203483 227229039 /nfs/dbraw/zinc/22/90/39/227229039.db2.gz LHOPZTITUGXIMJ-UHFFFAOYSA-N 0 0 310.357 2.170 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(F)cccc1Cl ZINC000408245601 227229568 /nfs/dbraw/zinc/22/95/68/227229568.db2.gz WSURFYRKIUVYOK-GZMMTYOYSA-N 0 0 302.758 2.450 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000408338642 227232582 /nfs/dbraw/zinc/23/25/82/227232582.db2.gz LTVFXJZUBCNUIM-JONQDZQNSA-N 0 0 317.433 2.224 10 30 DEEERN C=CCOc1cccnc1C(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000527209475 421365525 /nfs/dbraw/zinc/36/55/25/421365525.db2.gz JIAMTBOCFJOVAJ-LBPRGKRZSA-N 0 0 314.345 2.473 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000635259463 421864819 /nfs/dbraw/zinc/86/48/19/421864819.db2.gz CTQMETKFNVPQHK-UHFFFAOYSA-N 0 0 318.421 2.345 10 30 DEEERN Cc1cc(C)c2c(c1)CN(C(=O)Nc1nn(C)cc1C#N)CC2 ZINC000614430913 422492812 /nfs/dbraw/zinc/49/28/12/422492812.db2.gz WOLSYUAIJTZRIR-UHFFFAOYSA-N 0 0 309.373 2.499 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCC[C@@](O)(C3CC3)C2)s1 ZINC000622162427 422536956 /nfs/dbraw/zinc/53/69/56/422536956.db2.gz JRGZJFGYXVYERX-HNNXBMFYSA-N 0 0 307.419 2.118 10 30 DEEERN C=CCNc1ncc(C(=O)N[C@@H](C)c2cncc(F)c2)s1 ZINC000359657584 424831979 /nfs/dbraw/zinc/83/19/79/424831979.db2.gz MAOAHZKQLOHOPZ-VIFPVBQESA-N 0 0 306.366 2.766 10 30 DEEERN Cc1c(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)ccn1C ZINC000195299495 424880908 /nfs/dbraw/zinc/88/09/08/424880908.db2.gz RRWSMFLSECHUCX-UHFFFAOYSA-N 0 0 320.356 2.097 10 30 DEEERN C=CCNc1ncc(C(=O)NCC(C)(C)C(F)(F)F)s1 ZINC000555325110 424881098 /nfs/dbraw/zinc/88/10/98/424881098.db2.gz HSLGTLFMYFFBGX-UHFFFAOYSA-N 0 0 307.341 3.059 10 30 DEEERN Cc1cc([NH+]=C([O-])NC[C@H]2CCCc3sc(C)nc32)nn1C ZINC000328635494 424901655 /nfs/dbraw/zinc/90/16/55/424901655.db2.gz UWGSRDGPICVKFT-LLVKDONJSA-N 0 0 319.434 2.939 10 30 DEEERN Cc1cc([NH+]=C([O-])N[C@H]2CCc3nc(C(C)(C)C)cn3C2)no1 ZINC000329282451 424904079 /nfs/dbraw/zinc/90/40/79/424904079.db2.gz NOHAMZIDXCDJHW-NSHDSACASA-N 0 0 317.393 2.818 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000578582847 424959207 /nfs/dbraw/zinc/95/92/07/424959207.db2.gz PGHXHVKLXNZHAU-NVXWUHKLSA-N 0 0 311.385 2.851 10 30 DEEERN C=CC[C@H](C)NC(=O)Nc1ccn([C@H](CCC)C(=O)OCC)n1 ZINC000597031716 425030701 /nfs/dbraw/zinc/03/07/01/425030701.db2.gz SUHVHNLFXOPVHC-QWHCGFSZSA-N 0 0 322.409 2.874 10 30 DEEERN C=CC[C@@H](CC)NC(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1 ZINC000597147795 425031240 /nfs/dbraw/zinc/03/12/40/425031240.db2.gz VVBASDQWVIBXEP-GFCCVEGCSA-N 0 0 322.409 2.701 10 30 DEEERN C=CC(C)(C)C(=O)Nc1ccn([C@H](CCC)C(=O)OCC)n1 ZINC000598121619 425036715 /nfs/dbraw/zinc/03/67/15/425036715.db2.gz ZACJEVVXSWBOSZ-GFCCVEGCSA-N 0 0 307.394 2.938 10 30 DEEERN COC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)c1ccco1 ZINC000173781954 267482799 /nfs/dbraw/zinc/48/27/99/267482799.db2.gz IXKDGYACOCHPEL-GXTWGEPZSA-N 0 0 314.341 2.422 10 30 DEEERN CC1(C)CC[C@@H](CNC(=O)NCCOc2ccc(C#N)cc2)O1 ZINC000186886472 267653585 /nfs/dbraw/zinc/65/35/85/267653585.db2.gz XRDMEIAIHOHQBE-HNNXBMFYSA-N 0 0 317.389 2.194 10 30 DEEERN C[C@@H](NC(=O)Cc1cccc(C#N)c1)C(=O)N1CCCC[C@H]1C ZINC000530917303 267706613 /nfs/dbraw/zinc/70/66/13/267706613.db2.gz YBWYKMCDEOHCCL-ZIAGYGMSSA-N 0 0 313.401 2.006 10 30 DEEERN N#Cc1cccc(CC(=O)NC[C@@H](CO)Cc2ccccc2)c1 ZINC000530669628 268275397 /nfs/dbraw/zinc/27/53/97/268275397.db2.gz NFYSKJYDFQLQES-SFHVURJKSA-N 0 0 308.381 2.068 10 30 DEEERN C[C@@H]1CN(c2c(C#N)cnc3c(Cl)cccc32)C[C@H]1C(N)=O ZINC000424062826 274360284 /nfs/dbraw/zinc/36/02/84/274360284.db2.gz WCTWNNJRXMKMIY-BXKDBHETSA-N 0 0 314.776 2.317 10 30 DEEERN CC(C)(O)C#Cc1ccc(C(=O)N[C@H]2COc3ccccc32)o1 ZINC000219058605 275863616 /nfs/dbraw/zinc/86/36/16/275863616.db2.gz WFSVHRNPWWTIJI-AWEZNQCLSA-N 0 0 311.337 2.266 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C(=O)OC)c2ccccc21 ZINC000410619637 276919609 /nfs/dbraw/zinc/91/96/09/276919609.db2.gz CNDDQZFIJWGKOI-FMKPAKJESA-N 0 0 315.369 2.271 10 30 DEEERN CC(C)(C(=O)N[C@@H]1CCc2ccccc2C1=O)N1CCOCC1 ZINC000328696273 277120062 /nfs/dbraw/zinc/12/00/62/277120062.db2.gz UDTCPCISLQDPMW-OAHLLOKOSA-N 0 0 316.401 2.251 10 30 DEEERN CO[C@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)CC[C@@H]1C ZINC000251593039 277343957 /nfs/dbraw/zinc/34/39/57/277343957.db2.gz FOKTXKHFIWLMCX-HZMBPMFUSA-N 0 0 305.378 2.063 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000358179539 277917870 /nfs/dbraw/zinc/91/78/70/277917870.db2.gz GEBGYQNDFAVECG-UAGQMJEPSA-N 0 0 311.422 2.012 10 30 DEEERN CC1(C)CCCC[C@H]1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000365948505 278209969 /nfs/dbraw/zinc/20/99/69/278209969.db2.gz URSCCLPXFKVZFV-HUUCEWRRSA-N 0 0 304.438 2.337 10 30 DEEERN CC(C)C(=O)N[C@H]1CCCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000407970260 278692066 /nfs/dbraw/zinc/69/20/66/278692066.db2.gz ZGDUJVPMTASQAO-AWEZNQCLSA-N 0 0 305.422 2.224 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)c2ccc(C#N)cc2)C12CCOCC2 ZINC000187059379 279862703 /nfs/dbraw/zinc/86/27/03/279862703.db2.gz HIEWMRICVDHAJN-JKSUJKDBSA-N 0 0 314.385 2.262 10 30 DEEERN CCO[C@H]1C[C@H](NC(=O)c2ccc(C#N)cc2)C12CCOCC2 ZINC000187059398 279931689 /nfs/dbraw/zinc/93/16/89/279931689.db2.gz HIEWMRICVDHAJN-HOTGVXAUSA-N 0 0 314.385 2.262 10 30 DEEERN C[C@@H]1CN(c2ccc(C#N)cc2C(F)(F)F)CCS1(=O)=O ZINC000160768638 288258722 /nfs/dbraw/zinc/25/87/22/288258722.db2.gz HZIDVDVJPRAOFJ-SECBINFHSA-N 0 0 318.320 2.200 10 30 DEEERN CN(CCOc1ccc(F)cc1)C(=O)c1cc(C#N)cn1C ZINC000080973255 281601828 /nfs/dbraw/zinc/60/18/28/281601828.db2.gz FQPOZIXLBSKMQH-UHFFFAOYSA-N 0 0 301.321 2.187 10 30 DEEERN Cn1nnc2c1C[C@H](C(=O)N[C@@H]1CCc3ccccc3C1=O)CC2 ZINC000330174384 294636954 /nfs/dbraw/zinc/63/69/54/294636954.db2.gz IDZGFTCULSSSGD-IUODEOHRSA-N 0 0 324.384 2.074 10 30 DEEERN N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC000329290516 294840888 /nfs/dbraw/zinc/84/08/88/294840888.db2.gz QQFHZOHTRAYPDQ-MEBBXXQBSA-N 0 0 319.361 2.344 10 30 DEEERN C[C@H]1CCOCCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000362257138 300008115 /nfs/dbraw/zinc/00/81/15/300008115.db2.gz MZYJQNBESOTQGG-JTQLQIEISA-N 0 0 314.794 2.011 10 30 DEEERN C[C@H]1OCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1C ZINC000121850518 300601807 /nfs/dbraw/zinc/60/18/07/300601807.db2.gz WCTXJTNLYNLYNI-NXEZZACHSA-N 0 0 314.794 2.010 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000572661651 332845367 /nfs/dbraw/zinc/84/53/67/332845367.db2.gz OTJRVBOIWSIFQJ-UHFFFAOYSA-N 0 0 311.403 2.483 10 30 DEEERN C=CCC1(CN2C(=O)N[C@H](c3ccn(C)n3)C2=O)CCCC1 ZINC000562830114 332630409 /nfs/dbraw/zinc/63/04/09/332630409.db2.gz QCZOTIUBXUCLAD-CYBMUJFWSA-N 0 0 302.378 2.150 10 30 DEEERN CC1(C#N)CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000541893040 334348638 /nfs/dbraw/zinc/34/86/38/334348638.db2.gz KAVUEKBUAGTKGM-UHFFFAOYSA-N 0 0 317.301 2.089 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000366758095 334507653 /nfs/dbraw/zinc/50/76/53/334507653.db2.gz OCVIEJMWPGPWPP-UJHHCITNSA-N 0 0 323.433 2.153 10 30 DEEERN CCCCCCCCOCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000120278201 336905195 /nfs/dbraw/zinc/90/51/95/336905195.db2.gz QVLSTKDRRACCMR-AWEZNQCLSA-N 0 0 308.426 2.086 10 30 DEEERN C=CCC[C@@H](CO)NS(=O)(=O)c1cccc(Cl)c1C ZINC000321123456 337199987 /nfs/dbraw/zinc/19/99/87/337199987.db2.gz QMDHOYDETNLUIN-NSHDSACASA-N 0 0 303.811 2.254 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1[S@](=O)CC ZINC000583138746 337248485 /nfs/dbraw/zinc/24/84/85/337248485.db2.gz HSHVGURUBBDWRA-QENPMARHSA-N 0 0 307.415 2.135 10 30 DEEERN COc1nc(C)c(Br)cc1C(=O)N[C@@H](C#N)C1CC1 ZINC000186930493 337260495 /nfs/dbraw/zinc/26/04/95/337260495.db2.gz UTZTVOFPTCSQJX-NSHDSACASA-N 0 0 324.178 2.193 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000583808915 337335863 /nfs/dbraw/zinc/33/58/63/337335863.db2.gz QJKVHJUTOGNWCW-IHRRRGAJSA-N 0 0 305.378 2.421 10 30 DEEERN COC(=O)/C(Br)=C/c1ccc(C#N)cc1[N+](=O)[O-] ZINC000584611386 337372190 /nfs/dbraw/zinc/37/21/90/337372190.db2.gz AEWIQSDGERFFGM-UITAMQMPSA-N 0 0 311.091 2.375 10 30 DEEERN N#Cc1ccnc(OCCNC(=O)c2ccccc2Cl)c1 ZINC000584592443 337373574 /nfs/dbraw/zinc/37/35/74/337373574.db2.gz MMMNZTPHUPMNBL-UHFFFAOYSA-N 0 0 301.733 2.415 10 30 DEEERN N#Cc1ccc(O)c2c1N(S(=O)(=O)c1ccccc1)CC=C2 ZINC000584640896 337379898 /nfs/dbraw/zinc/37/98/98/337379898.db2.gz LDMJPQHOWQVLIE-UHFFFAOYSA-N 0 0 312.350 2.486 10 30 DEEERN C[C@@H](C#N)CNC(=O)NCC1CCN(c2ccccc2)CC1 ZINC000527452241 337742048 /nfs/dbraw/zinc/74/20/48/337742048.db2.gz OBPSUVJMKMIEFJ-AWEZNQCLSA-N 0 0 300.406 2.362 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000537156916 337901837 /nfs/dbraw/zinc/90/18/37/337901837.db2.gz FLMXVJBVZKQKQQ-KGLIPLIRSA-N 0 0 302.374 2.288 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)NC2(CCC(CC)CC2)C1=O ZINC000515832115 337999515 /nfs/dbraw/zinc/99/95/15/337999515.db2.gz KIEIRIUOGMSCBW-CWVKQELPSA-N 0 0 306.406 2.468 10 30 DEEERN N#CC1(C(=O)NCc2ccncc2C(F)(F)F)CCOCC1 ZINC000516446343 338012447 /nfs/dbraw/zinc/01/24/47/338012447.db2.gz RPNKWLZUIXERQW-UHFFFAOYSA-N 0 0 313.279 2.037 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCCC[C@H]1CC ZINC000430412672 338106701 /nfs/dbraw/zinc/10/67/01/338106701.db2.gz IEJKQJBPCXUIIG-OAGGEKHMSA-N 0 0 322.449 2.265 10 30 DEEERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)NCCCCC#N)C1 ZINC000173134949 340358901 /nfs/dbraw/zinc/35/89/01/340358901.db2.gz SLRCGQLVAXROSV-CHWSQXEVSA-N 0 0 309.410 2.490 10 30 DEEERN C=C(C)Cn1c(C2CCC2)nnc1N1C[C@H](C(N)=O)CC[C@H]1C ZINC000516695258 340454074 /nfs/dbraw/zinc/45/40/74/340454074.db2.gz SIAYXYIOLMOHKY-TZMCWYRMSA-N 0 0 317.437 2.212 10 30 DEEERN C=CCCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000517354191 340468330 /nfs/dbraw/zinc/46/83/30/340468330.db2.gz IAYGHMNNRNXACU-UHFFFAOYSA-N 0 0 308.403 2.161 10 30 DEEERN C=C[C@](C)(O)C(=O)NCc1cc(F)c(Br)cc1F ZINC000529878488 340772844 /nfs/dbraw/zinc/77/28/44/340772844.db2.gz SDYONACOIISXKN-LBPRGKRZSA-N 0 0 320.133 2.281 10 30 DEEERN C=CCCOCCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000127189580 340846324 /nfs/dbraw/zinc/84/63/24/340846324.db2.gz JFZMFDWPPCBOSR-UHFFFAOYSA-N 0 0 319.361 2.255 10 30 DEEERN Cc1cc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c[nH]c1=O ZINC000542799012 341021050 /nfs/dbraw/zinc/02/10/50/341021050.db2.gz AZZLZXZCVPBUBY-INIZCTEOSA-N 0 0 319.361 2.296 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000546697596 341179327 /nfs/dbraw/zinc/17/93/27/341179327.db2.gz OFORAOHSQDTUQY-LLVKDONJSA-N 0 0 317.414 2.219 10 30 DEEERN CCC(CC)CN(CCC#N)S(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000135576836 341242306 /nfs/dbraw/zinc/24/23/06/341242306.db2.gz KQMWTMQJSGCWPH-OCCSQVGLSA-N 0 0 302.440 2.145 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1cccc2c1OCCO2 ZINC000572541686 341445191 /nfs/dbraw/zinc/44/51/91/341445191.db2.gz GGPXRWODFUHTKL-UHFFFAOYSA-N 0 0 311.403 2.483 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000556047157 341492813 /nfs/dbraw/zinc/49/28/13/341492813.db2.gz RAMORYRSIFNMDC-TZMCWYRMSA-N 0 0 304.390 2.444 10 30 DEEERN C=CCC(C)(C)CNC(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000564895923 341512706 /nfs/dbraw/zinc/51/27/06/341512706.db2.gz IFFAUCRVQNMPRF-CYBMUJFWSA-N 0 0 303.410 2.275 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H]4C[C@@H]43)cc2C1=O ZINC000569077872 341690096 /nfs/dbraw/zinc/69/00/96/341690096.db2.gz QOOJKYYQNJCKMF-DIOULYMOSA-N 0 0 324.380 2.387 10 30 DEEERN Cc1ccc(CCNC(=O)c2cn(C)nc2[C@H]2CCOC2)cn1 ZINC000328624697 341735130 /nfs/dbraw/zinc/73/51/30/341735130.db2.gz KAAGWKKMZLCCCH-AWEZNQCLSA-N 0 0 314.389 2.175 10 30 DEEERN C=CCCCCCNC(=O)NCCNC(=O)c1ccccc1 ZINC000575812207 341806288 /nfs/dbraw/zinc/80/62/88/341806288.db2.gz IGAPUOCUINRWPJ-UHFFFAOYSA-N 0 0 303.406 2.462 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(OC)cc1C ZINC000576459934 341847382 /nfs/dbraw/zinc/84/73/82/341847382.db2.gz FNEWBUAEMUGZAI-HOCLYGCPSA-N 0 0 304.390 2.394 10 30 DEEERN C=CCc1cc(CNC(=O)[C@](C)(CC)CO)cc(OC)c1OC ZINC000577526579 341915638 /nfs/dbraw/zinc/91/56/38/341915638.db2.gz CJQFXLXVLWAHAM-GOSISDBHSA-N 0 0 321.417 2.457 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1cc2ccccc2c(=O)[nH]1 ZINC000577722111 341931549 /nfs/dbraw/zinc/93/15/49/341931549.db2.gz GXFVWJZQUFZYCT-BBRMVZONSA-N 0 0 312.369 2.190 10 30 DEEERN C=CCN1C(=O)N([C@@H](C)COCC)C(=O)[C@H]1Cc1ccccc1 ZINC000349037777 341962125 /nfs/dbraw/zinc/96/21/25/341962125.db2.gz AALZCHDNPLXMEH-GOEBONIOSA-N 0 0 316.401 2.473 10 30 DEEERN C[C@@H](CNC(=O)NCC1CCC(C#N)CC1)Cn1cccn1 ZINC000440979998 533950178 /nfs/dbraw/zinc/95/01/78/533950178.db2.gz FPVSWBPQTFRFBC-NFOMZHRRSA-N 0 0 303.410 2.148 10 30 DEEERN Cc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(F)c1 ZINC000362936174 534180459 /nfs/dbraw/zinc/18/04/59/534180459.db2.gz QWCQZSDCOKCTGJ-ZDUSSCGKSA-N 0 0 302.353 2.338 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(OC)ccc1OC(F)(F)F ZINC000450845016 534316434 /nfs/dbraw/zinc/31/64/34/534316434.db2.gz MDWULYGNDLLQEQ-VIFPVBQESA-N 0 0 319.279 2.261 10 30 DEEERN C=C(CC)CNC(=O)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000454024008 534405255 /nfs/dbraw/zinc/40/52/55/534405255.db2.gz GOLYVKYPGZLCPL-UHFFFAOYSA-N 0 0 317.389 2.302 10 30 DEEERN C=CCn1c(N(CC)CCOCC)nnc1[C@@]1(C)CCCO1 ZINC000453447042 534443247 /nfs/dbraw/zinc/44/32/47/534443247.db2.gz XAGFIKNFCZEQQB-MRXNPFEDSA-N 0 0 308.426 2.353 10 30 DEEERN C=CCC(CC=C)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000452248022 534567135 /nfs/dbraw/zinc/56/71/35/534567135.db2.gz NYVYHFNRTYRECO-AWEZNQCLSA-N 0 0 319.426 2.442 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@]1(C)c1ccccc1OC ZINC000449933844 534580933 /nfs/dbraw/zinc/58/09/33/534580933.db2.gz FITRHTNJJFHTPB-DPHWQOANSA-N 0 0 301.386 2.433 10 30 DEEERN Cn1cc(-c2csc(NC(=O)c3cc(C#N)cn3C)n2)cn1 ZINC000177453836 534718338 /nfs/dbraw/zinc/71/83/38/534718338.db2.gz AOJLRTGGYFPVRV-UHFFFAOYSA-N 0 0 312.358 2.006 10 30 DEEERN N#Cc1cccc(CNC(=O)C(=O)Nc2ccc3cc[nH]c3c2)c1 ZINC000192558245 534807455 /nfs/dbraw/zinc/80/74/55/534807455.db2.gz ATAFZGIPXZYIGL-UHFFFAOYSA-N 0 0 318.336 2.294 10 30 DEEERN Cc1cnc(CCN(C)C(=O)COc2ccccc2C#N)s1 ZINC000124625956 525991731 /nfs/dbraw/zinc/99/17/31/525991731.db2.gz NHEHYSOKJGDOJE-UHFFFAOYSA-N 0 0 315.398 2.403 10 30 DEEERN C[C@H](C(=O)OC(C)(C)C)N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156633248 526189112 /nfs/dbraw/zinc/18/91/12/526189112.db2.gz QTARYBHJBCAYIM-DOMZBBRYSA-N 0 0 304.390 2.254 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NCCC ZINC000411188460 526349121 /nfs/dbraw/zinc/34/91/21/526349121.db2.gz DFIXQKXINLWQAT-CYBMUJFWSA-N 0 0 305.378 2.498 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](O)CCSC ZINC000448816835 526350097 /nfs/dbraw/zinc/35/00/97/526350097.db2.gz APYRDLNEFNPSAZ-CQSZACIVSA-N 0 0 324.402 2.223 10 30 DEEERN CC#CCN(C)CC(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000339757424 526359650 /nfs/dbraw/zinc/35/96/50/526359650.db2.gz SFEAHZISHXSTJI-UHFFFAOYSA-N 0 0 324.428 2.060 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3CC)cc2C1=O ZINC000340558493 526409490 /nfs/dbraw/zinc/40/94/90/526409490.db2.gz UFCNGFNFWVEFEQ-CYBMUJFWSA-N 0 0 312.369 2.483 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)c2cc(CC)c(CC)o2)C1=O ZINC000337093244 526466322 /nfs/dbraw/zinc/46/63/22/526466322.db2.gz NHMFMUSPLUAKKX-CYBMUJFWSA-N 0 0 304.390 2.263 10 30 DEEERN CC(=O)N(C)c1ccc(C(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000278334446 526472455 /nfs/dbraw/zinc/47/24/55/526472455.db2.gz LHAHSGHIHPDFCD-UHFFFAOYSA-N 0 0 311.345 2.032 10 30 DEEERN C=CCNC(=O)CNC(=O)[C@H](Sc1ccccc1)C(C)C ZINC000347893821 526564249 /nfs/dbraw/zinc/56/42/49/526564249.db2.gz OPCOZCHQQNLDBM-OAHLLOKOSA-N 0 0 306.431 2.222 10 30 DEEERN C=CCNC(=O)N(CCCOc1ccc(F)cc1)CCOC ZINC000341455798 526582796 /nfs/dbraw/zinc/58/27/96/526582796.db2.gz NKPUWBWBLWRYOF-UHFFFAOYSA-N 0 0 310.369 2.439 10 30 DEEERN C=CCNC(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000111432616 526614693 /nfs/dbraw/zinc/61/46/93/526614693.db2.gz JPZWTSNPXPTYOS-UHFFFAOYSA-N 0 0 304.390 2.367 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N(CC)[C@H]2CCOC2)cc1 ZINC000361635495 526647114 /nfs/dbraw/zinc/64/71/14/526647114.db2.gz IYIMAHGKFXDAKA-HNNXBMFYSA-N 0 0 317.389 2.245 10 30 DEEERN C#CCC(CC#C)C(=O)N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000288567494 526673501 /nfs/dbraw/zinc/67/35/01/526673501.db2.gz WFXVMWRBOLFZLL-UKRRQHHQSA-N 0 0 318.417 2.021 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](c1cnn(C)c1)c1ccccc1 ZINC000376929277 526675023 /nfs/dbraw/zinc/67/50/23/526675023.db2.gz AKZYKARXCBQZFM-SFHVURJKSA-N 0 0 305.381 2.289 10 30 DEEERN C#CCC1(C(=O)N2CCO[C@]3(CCCOC3)C2)CCCCC1 ZINC000376024009 526676006 /nfs/dbraw/zinc/67/60/06/526676006.db2.gz AHXZRVUZLPMKDF-GOSISDBHSA-N 0 0 305.418 2.368 10 30 DEEERN C#CCCCCNS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000182116313 526706973 /nfs/dbraw/zinc/70/69/73/526706973.db2.gz GXXGHXDBSANEAM-UHFFFAOYSA-N 0 0 306.309 2.182 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1[C@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000330405646 526709779 /nfs/dbraw/zinc/70/97/79/526709779.db2.gz YANDNMYJSMGYHL-AICCOOGYSA-N 0 0 309.406 2.299 10 30 DEEERN C#CCCCNC(=O)N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000369899991 526711235 /nfs/dbraw/zinc/71/12/35/526711235.db2.gz ZDAQIZGXJUNLJS-CQSZACIVSA-N 0 0 305.378 2.005 10 30 DEEERN C#CCCNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000369299787 526736969 /nfs/dbraw/zinc/73/69/69/526736969.db2.gz SCIAQVRRLJKKQP-OAHLLOKOSA-N 0 0 320.801 2.408 10 30 DEEERN C#CCCOc1ccc(C(=O)NC[C@@H](O)Cc2ccccc2)cc1 ZINC000295256097 526740111 /nfs/dbraw/zinc/74/01/11/526740111.db2.gz NFCXIQULEQMEAG-SFHVURJKSA-N 0 0 323.392 2.422 10 30 DEEERN C=CCOCCN1C(=O)[C@H]2C[C@H](C3CCCCC3)CN2C1=O ZINC000373884681 526770342 /nfs/dbraw/zinc/77/03/42/526770342.db2.gz ZQYVOZYJIQMMII-LSDHHAIUSA-N 0 0 306.406 2.422 10 30 DEEERN C=CCOCCNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000378585982 526780600 /nfs/dbraw/zinc/78/06/00/526780600.db2.gz FAWIPBXTZORMFV-QGZVFWFLSA-N 0 0 316.401 2.059 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccnn1CC(F)(F)F ZINC000295173810 526781028 /nfs/dbraw/zinc/78/10/28/526781028.db2.gz QLOLMJRPIHKBFC-PWSUYJOCSA-N 0 0 317.311 2.156 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000369333444 526838430 /nfs/dbraw/zinc/83/84/30/526838430.db2.gz CDUIAVFETRTQKN-BRWVUGGUSA-N 0 0 300.402 2.454 10 30 DEEERN C=C(CNC(=O)N1CCC[C@@]2(CNC(=O)C2)C1)c1ccccc1 ZINC000358591242 526868161 /nfs/dbraw/zinc/86/81/61/526868161.db2.gz OMUSJIRTAMMXFA-GOSISDBHSA-N 0 0 313.401 2.012 10 30 DEEERN C=C(CSc1nnc(-c2cccc(C)c2)n1N)C(=O)OCC ZINC000191201857 526884689 /nfs/dbraw/zinc/88/46/89/526884689.db2.gz SYEJLJLSIHPQMV-UHFFFAOYSA-N 0 0 318.402 2.179 10 30 DEEERN C=CCOc1ccccc1CNC(=O)C[C@H]1CCOC[C@H]1OC ZINC000294645628 526937304 /nfs/dbraw/zinc/93/73/04/526937304.db2.gz PGRJGARXGSNCQT-RHSMWYFYSA-N 0 0 319.401 2.309 10 30 DEEERN C=CCSCCNC(=O)CCc1nc(-c2ccncc2)no1 ZINC000194488269 526986056 /nfs/dbraw/zinc/98/60/56/526986056.db2.gz CVUMYYNKZCZVHN-UHFFFAOYSA-N 0 0 318.402 2.100 10 30 DEEERN C=CC[C@@H](CC)NC(=O)NCCCNC(=O)c1ccccc1 ZINC000352897573 527043273 /nfs/dbraw/zinc/04/32/73/527043273.db2.gz BRJYCXKBAKJVQU-OAHLLOKOSA-N 0 0 303.406 2.460 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@](C)(C(=O)OC)C2)CCOCC1 ZINC000424882114 527043907 /nfs/dbraw/zinc/04/39/07/527043907.db2.gz NJGUZIGXARJWEH-INIZCTEOSA-N 0 0 309.406 2.161 10 30 DEEERN C=CCC1(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)CCC1 ZINC000191624362 527046696 /nfs/dbraw/zinc/04/66/96/527046696.db2.gz MZBUYMSVRVKZBN-OAHLLOKOSA-N 0 0 303.406 2.165 10 30 DEEERN C=CCC1(C(=O)N2C[C@@H](OC)C[C@@H]2CC(=O)OCC)CCC1 ZINC000372785455 527049971 /nfs/dbraw/zinc/04/99/71/527049971.db2.gz QIIOBBGKMDAERY-KGLIPLIRSA-N 0 0 309.406 2.302 10 30 DEEERN C=CCC1(C(=O)N2C[C@H](CC)O[C@@]3(CCOC3)C2)CCOCC1 ZINC000424809675 527050500 /nfs/dbraw/zinc/05/05/00/527050500.db2.gz IRFJXPCAAOXBEY-YJBOKZPZSA-N 0 0 323.433 2.156 10 30 DEEERN C#CCOCCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000089763827 527065897 /nfs/dbraw/zinc/06/58/97/527065897.db2.gz QCHGGJQBWGOWEB-HNNXBMFYSA-N 0 0 307.777 2.360 10 30 DEEERN C#CCO[C@@H](C)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000294639908 527072581 /nfs/dbraw/zinc/07/25/81/527072581.db2.gz SZPQQWQZDUZJGM-LBPRGKRZSA-N 0 0 316.332 2.178 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(OC)cc(OC)c1Cl ZINC000417338563 527095776 /nfs/dbraw/zinc/09/57/76/527095776.db2.gz YSZJASTUTUUOHS-VIFPVBQESA-N 0 0 314.769 2.416 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)N1C[C@H](C)O[C@H](C)[C@H]1C ZINC000410986131 527117962 /nfs/dbraw/zinc/11/79/62/527117962.db2.gz VXSQHXXRFHFMPQ-RRFJBIMHSA-N 0 0 310.438 2.216 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000410986130 527118140 /nfs/dbraw/zinc/11/81/40/527118140.db2.gz VXSQHXXRFHFMPQ-KKUMJFAQSA-N 0 0 310.438 2.216 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)C[C@@H](C)COCC ZINC000295863365 527161207 /nfs/dbraw/zinc/16/12/07/527161207.db2.gz FFNPODWJIZFXTA-RDJZCZTQSA-N 0 0 323.458 2.213 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C)[C@@H]1CO ZINC000288200147 527172316 /nfs/dbraw/zinc/17/23/16/527172316.db2.gz PLHGEPRPFSSDKK-UAGQMJEPSA-N 0 0 300.402 2.033 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCOCC(F)(F)C1 ZINC000292714849 527172783 /nfs/dbraw/zinc/17/27/83/527172783.db2.gz YLDDIJCCFWGWKM-OAHLLOKOSA-N 0 0 322.355 2.298 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000298186798 527174729 /nfs/dbraw/zinc/17/47/29/527174729.db2.gz VYFCLKWPRYTSQM-INIZCTEOSA-N 0 0 316.401 2.011 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccc(C)c(OC)c1 ZINC000284973694 527176735 /nfs/dbraw/zinc/17/67/35/527176735.db2.gz KTIQAMLSHJIBAG-UHFFFAOYSA-N 0 0 304.390 2.044 10 30 DEEERN C=CCCCN(C)C(=O)NCCn1c2ccccc2oc1=O ZINC000076973118 527183126 /nfs/dbraw/zinc/18/31/26/527183126.db2.gz ORXJRBVUIIHZHC-UHFFFAOYSA-N 0 0 303.362 2.202 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc2c(c1)C(=O)CCO2 ZINC000416405284 527193780 /nfs/dbraw/zinc/19/37/80/527193780.db2.gz ZFXJCNMOWYUXLC-UHFFFAOYSA-N 0 0 309.387 2.239 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000183759226 527199504 /nfs/dbraw/zinc/19/95/04/527199504.db2.gz CLNBROAFIKKLDT-OLZOCXBDSA-N 0 0 316.323 2.396 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cc2cccnc2c(OC)c1 ZINC000340401301 527209019 /nfs/dbraw/zinc/20/90/19/527209019.db2.gz KLMANANXMODCRR-UHFFFAOYSA-N 0 0 313.357 2.264 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000448378937 527209468 /nfs/dbraw/zinc/20/94/68/527209468.db2.gz XJNJISPZODUVKK-UHFFFAOYSA-N 0 0 311.725 2.269 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccccc1-n1nccc1C ZINC000448377382 527210622 /nfs/dbraw/zinc/21/06/22/527210622.db2.gz VHIFIODITZWBTJ-UHFFFAOYSA-N 0 0 312.373 2.202 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)NCC[C@](C)(O)COC ZINC000413583913 527217528 /nfs/dbraw/zinc/21/75/28/527217528.db2.gz PUPRDEBVHLWTJM-AEFFLSMTSA-N 0 0 320.433 2.261 10 30 DEEERN C=CCCCNC(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000448029345 527218498 /nfs/dbraw/zinc/21/84/98/527218498.db2.gz GVCPFEVNXFEIFW-AWEZNQCLSA-N 0 0 306.410 2.086 10 30 DEEERN CC(=O)c1ccc(C#N)c(NC[C@H](CO)Cc2ccccn2)c1 ZINC000302035953 527227013 /nfs/dbraw/zinc/22/70/13/527227013.db2.gz PIKCUUZGMMAHRG-CQSZACIVSA-N 0 0 309.369 2.419 10 30 DEEERN C=CCc1cc(C(=O)N[C@H](C)C(OC)OC)cc(OC)c1OC ZINC000289165623 527233521 /nfs/dbraw/zinc/23/35/21/527233521.db2.gz URAPQBKXYPPVRI-LLVKDONJSA-N 0 0 323.389 2.170 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@@H]1CC12CCSCC2 ZINC000422321799 527255579 /nfs/dbraw/zinc/25/55/79/527255579.db2.gz PDZXBJIRARPSCM-KGLIPLIRSA-N 0 0 324.490 2.497 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CC[C@](C)(C(=O)OC)C1 ZINC000282322921 527315589 /nfs/dbraw/zinc/31/55/89/527315589.db2.gz QHZLVUQMBCNBPI-KRWDZBQOSA-N 0 0 320.437 2.442 10 30 DEEERN C#C[C@H](C)NC(=O)[C@@H]1CCCCN1C(=O)c1cc(C)cc(C)c1 ZINC000368378271 527343100 /nfs/dbraw/zinc/34/31/00/527343100.db2.gz YDBDBHKFOWPMLX-RDJZCZTQSA-N 0 0 312.413 2.436 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)Cc1ccoc1C ZINC000282254280 527352643 /nfs/dbraw/zinc/35/26/43/527352643.db2.gz LBHRNJBOTNKLOQ-AWEZNQCLSA-N 0 0 318.377 2.090 10 30 DEEERN C=CCCS(=O)(=O)N1CCC[C@@H]1COc1cccnc1C ZINC000416674462 527408325 /nfs/dbraw/zinc/40/83/25/527408325.db2.gz VWHBSTUVUZUCRD-CQSZACIVSA-N 0 0 310.419 2.139 10 30 DEEERN C#Cc1ccccc1CC(=O)N1CCCC[C@H]1CC(=O)NCC ZINC000292401399 527460539 /nfs/dbraw/zinc/46/05/39/527460539.db2.gz SAPKYZNUCLNWOD-KRWDZBQOSA-N 0 0 312.413 2.118 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000333231182 527471239 /nfs/dbraw/zinc/47/12/39/527471239.db2.gz YDBJKGGFIUAFSN-QSJFSLAZSA-N 0 0 308.422 2.057 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)COc1ccc(C(=O)CC)cc1 ZINC000424918380 527493269 /nfs/dbraw/zinc/49/32/69/527493269.db2.gz VBUAHWOVLSCDBT-YOEHRIQHSA-N 0 0 317.385 2.365 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC000424926193 527496560 /nfs/dbraw/zinc/49/65/60/527496560.db2.gz RJPDCRUHMKUNOA-YQQAZPJKSA-N 0 0 301.386 2.396 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](CC(C)C)N1CCCCC1=O ZINC000424932296 527497205 /nfs/dbraw/zinc/49/72/05/527497205.db2.gz MRUWLIIONRETGH-JYJNAYRXSA-N 0 0 322.449 2.121 10 30 DEEERN C=CCCn1cc(C(=O)N(CCC)C[C@H]2CCCCO2)nn1 ZINC000424648704 527516275 /nfs/dbraw/zinc/51/62/75/527516275.db2.gz MBBAENQSVOLLBO-CQSZACIVSA-N 0 0 306.410 2.276 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000354115397 527531797 /nfs/dbraw/zinc/53/17/97/527531797.db2.gz RFJOPRQHUDVSAM-GUYCJALGSA-N 0 0 305.374 2.171 10 30 DEEERN C=CCN(C(=O)NCCc1cnc2c(Cl)cnn2c1)C1CC1 ZINC000297606688 527538401 /nfs/dbraw/zinc/53/84/01/527538401.db2.gz NXIQJEVFTGJWOJ-UHFFFAOYSA-N 0 0 319.796 2.285 10 30 DEEERN C=CCN(C)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000428288079 527567732 /nfs/dbraw/zinc/56/77/32/527567732.db2.gz OVZXIASPTQTASQ-ILXRZTDVSA-N 0 0 300.406 2.259 10 30 DEEERN C=CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCO1 ZINC000283318847 527577861 /nfs/dbraw/zinc/57/78/61/527577861.db2.gz IFGUZUDFVDFXTQ-AWEZNQCLSA-N 0 0 313.405 2.450 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NCCCc1nnc2ccccn21 ZINC000437814429 527618300 /nfs/dbraw/zinc/61/83/00/527618300.db2.gz LAMSWQIZACMIKM-QGZVFWFLSA-N 0 0 316.405 2.007 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000194544123 527623705 /nfs/dbraw/zinc/62/37/05/527623705.db2.gz SXZOWJYGCMSADQ-QGZVFWFLSA-N 0 0 314.389 2.494 10 30 DEEERN C=C[C@](C)(O)CC(=O)N[C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000356053012 527635238 /nfs/dbraw/zinc/63/52/38/527635238.db2.gz MZCRSHXUQDNHBC-FZMZJTMJSA-N 0 0 322.371 2.093 10 30 DEEERN CC(C)OC[C@@H]1CN(C(=O)NCC2CCC(C#N)CC2)CCO1 ZINC000373009020 528014470 /nfs/dbraw/zinc/01/44/70/528014470.db2.gz YYSNDCXZDQURPO-GPANFISMSA-N 0 0 323.437 2.152 10 30 DEEERN CCN(CCC#N)C(=O)CN1CCC[C@H]1c1csc(C)n1 ZINC000189771615 528359553 /nfs/dbraw/zinc/35/95/53/528359553.db2.gz FOFOKMIZCDDQKN-AWEZNQCLSA-N 0 0 306.435 2.351 10 30 DEEERN CC(C)c1noc(CCCNC(=O)c2ccc(C#N)c(O)c2)n1 ZINC000188379411 528497320 /nfs/dbraw/zinc/49/73/20/528497320.db2.gz LPABRAMCLVVAKI-UHFFFAOYSA-N 0 0 314.345 2.133 10 30 DEEERN CC1(C)CCCC[C@H]1CC(=O)N1CCN(C(=O)CC#N)CC1 ZINC000408191552 528920138 /nfs/dbraw/zinc/92/01/38/528920138.db2.gz GSMYUQBZKULHMW-AWEZNQCLSA-N 0 0 305.422 2.177 10 30 DEEERN CC1(C)CCCN(C(=O)c2csc(-c3nc[nH]n3)n2)[C@@H]1C#N ZINC000408399577 528931513 /nfs/dbraw/zinc/93/15/13/528931513.db2.gz ISNIWTZQIPUGNV-SNVBAGLBSA-N 0 0 316.390 2.083 10 30 DEEERN CC(C)N1CC[C@H](NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)C1=O ZINC000329614035 529072337 /nfs/dbraw/zinc/07/23/37/529072337.db2.gz PBJXEVJRIBJYHE-KBPBESRZSA-N 0 0 305.422 2.174 10 30 DEEERN CC(C)OC(=O)[C@H](C)N(C)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188500939 535311030 /nfs/dbraw/zinc/31/10/30/535311030.db2.gz HKUSTTXQZZFSPA-ZDUSSCGKSA-N 0 0 314.385 2.388 10 30 DEEERN C#CC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685962171 563961511 /nfs/dbraw/zinc/96/15/11/563961511.db2.gz XGDKYUXRXZGKST-OAHLLOKOSA-N 0 0 316.401 2.214 10 30 DEEERN N#C[C@@H](OC(=O)c1cccc(OCC(F)(F)F)n1)C1CC1 ZINC000177034458 625619630 /nfs/dbraw/zinc/61/96/30/625619630.db2.gz BKDMSHKQXFLETL-SNVBAGLBSA-N 0 0 300.236 2.482 10 30 DEEERN CNS(=O)(=O)c1ccc(C(=O)/C=C\c2cccnc2C)cc1 ZINC000255679534 625623137 /nfs/dbraw/zinc/62/31/37/625623137.db2.gz XMOSPEWWKGYRFS-YFHOEESVSA-N 0 0 316.382 2.194 10 30 DEEERN C/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000175923152 623777330 /nfs/dbraw/zinc/77/73/30/623777330.db2.gz RQWYVBDNYDNVQJ-JIJVXSHRSA-N 0 0 315.398 2.364 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)Oc1cccc(C(N)=O)c1 ZINC000051829948 624930985 /nfs/dbraw/zinc/93/09/85/624930985.db2.gz IKMHMXROAXFNMY-NSHDSACASA-N 0 0 310.309 2.030 10 30 DEEERN C#CC[C@H](OC(=O)CCS(=O)(=O)C1CCCC1)C(C)C ZINC000177717884 625065576 /nfs/dbraw/zinc/06/55/76/625065576.db2.gz SDTSBDCLYGMHDV-AWEZNQCLSA-N 0 0 300.420 2.325 10 30 DEEERN CNC(=O)c1ccc(Cl)cc1NC(=O)c1cc(C#N)cn1C ZINC000176793784 625230542 /nfs/dbraw/zinc/23/05/42/625230542.db2.gz UJUTWNXCBUWPJR-UHFFFAOYSA-N 0 0 316.748 2.162 10 30 DEEERN C#CCCNC(=O)Nc1cccc(I)c1 ZINC000733615075 633246189 /nfs/dbraw/zinc/24/61/89/633246189.db2.gz QYGKIQGJWOGNIU-UHFFFAOYSA-N 0 0 314.126 2.436 10 30 DEEERN C#CCCNC(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F ZINC000733625054 633251071 /nfs/dbraw/zinc/25/10/71/633251071.db2.gz RFWKRXJICWBCIH-UHFFFAOYSA-N 0 0 323.278 2.431 10 30 DEEERN C#CC[C@@H](OC(=O)CCOC[C@H]1CCCO1)c1ccccn1 ZINC000733692958 633266010 /nfs/dbraw/zinc/26/60/10/633266010.db2.gz PPGJMPWSKBRNPF-GDBMZVCRSA-N 0 0 303.358 2.275 10 30 DEEERN C=C(COC(=O)c1ccc(NCC)c([N+](=O)[O-])c1)C(=O)OCC ZINC000734025060 633317821 /nfs/dbraw/zinc/31/78/21/633317821.db2.gz ZCOCLOJIXRFOIJ-UHFFFAOYSA-N 0 0 322.317 2.303 10 30 DEEERN C=C(C)CNC(=S)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000734311394 633362362 /nfs/dbraw/zinc/36/23/62/633362362.db2.gz OUCKZDYOQRGIQZ-UHFFFAOYSA-N 0 0 323.437 2.407 10 30 DEEERN C=CC[C@@H](NC(=O)N1CCN(CC(F)F)CC1)c1ccncc1 ZINC000734678825 633418495 /nfs/dbraw/zinc/41/84/95/633418495.db2.gz IWTLOBUKFFCLTI-CQSZACIVSA-N 0 0 324.375 2.291 10 30 DEEERN C=CCNC(=O)[C@@H](C)OC(=O)C[C@H]1CCOc2ccccc21 ZINC000735546019 633518208 /nfs/dbraw/zinc/51/82/08/633518208.db2.gz ZLDWQTNTSNWEMP-CHWSQXEVSA-N 0 0 303.358 2.177 10 30 DEEERN C=C(Cl)CNC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000736246342 633583066 /nfs/dbraw/zinc/58/30/66/633583066.db2.gz YFZCZKBAIBALCW-AWEZNQCLSA-N 0 0 310.781 2.131 10 30 DEEERN C=C(Cl)CNC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000736398282 633617731 /nfs/dbraw/zinc/61/77/31/633617731.db2.gz YQWHNPJSLFWKFO-NSHDSACASA-N 0 0 305.769 2.380 10 30 DEEERN C=CCCCN(C)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O ZINC000736589153 633662953 /nfs/dbraw/zinc/66/29/53/633662953.db2.gz BSSRHZBJLQOLNR-QGZVFWFLSA-N 0 0 319.380 2.448 10 30 DEEERN C=CCN(CCOC)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000189641316 633845496 /nfs/dbraw/zinc/84/54/96/633845496.db2.gz BUNFCZXPBARHKL-SOFGYWHQSA-N 0 0 320.345 2.420 10 30 DEEERN Cc1noc([C@@H]2CCN(C(=O)Nc3cc(C#N)ccc3F)C2)n1 ZINC000888367730 633849151 /nfs/dbraw/zinc/84/91/51/633849151.db2.gz OTDRVYDPXAITPB-LLVKDONJSA-N 0 0 315.308 2.410 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000320292339 633936797 /nfs/dbraw/zinc/93/67/97/633936797.db2.gz QIFQBNQVRAMNLP-MMQHEFTJSA-N 0 0 301.795 2.167 10 30 DEEERN Cc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c2n[nH]cc21 ZINC000736995397 635192007 /nfs/dbraw/zinc/19/20/07/635192007.db2.gz YRCTWUIJSJDYLL-CYBMUJFWSA-N 0 0 324.388 2.075 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1cc(C)nn1CC ZINC000726018712 635654557 /nfs/dbraw/zinc/65/45/57/635654557.db2.gz AZEPVZAOHDZXBD-CYBMUJFWSA-N 0 0 307.394 2.181 10 30 DEEERN C[C@H](C(=O)NCc1ccc(OCC#N)cc1)C1CCOCC1 ZINC000178853977 636392055 /nfs/dbraw/zinc/39/20/55/636392055.db2.gz NIIHLYTUEQNDJG-ZDUSSCGKSA-N 0 0 302.374 2.268 10 30 DEEERN CC(=O)N1CC[C@@](C)(C(=O)OCC#Cc2ccccc2Cl)C1 ZINC000747078159 636397919 /nfs/dbraw/zinc/39/79/19/636397919.db2.gz CWRQFBYWRYKTAC-QGZVFWFLSA-N 0 0 319.788 2.493 10 30 DEEERN C=CCCC(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000726650605 636450957 /nfs/dbraw/zinc/45/09/57/636450957.db2.gz SKGXOKYFUKAJBC-UHFFFAOYSA-N 0 0 316.357 2.260 10 30 DEEERN C#CCOc1ccccc1NC(=O)c1ccc2nnn(C)c2c1 ZINC000187212429 637284190 /nfs/dbraw/zinc/28/41/90/637284190.db2.gz UMOWFHPEEFXKHN-UHFFFAOYSA-N 0 0 306.325 2.233 10 30 DEEERN C#CCCCOC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000727039054 637594275 /nfs/dbraw/zinc/59/42/75/637594275.db2.gz HHDVWRYKDSMPPQ-LBPRGKRZSA-N 0 0 307.296 2.274 10 30 DEEERN C#CCC(C)(C)COC(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000185347479 637600505 /nfs/dbraw/zinc/60/05/05/637600505.db2.gz JNSJVCIWXYZTRE-UHFFFAOYSA-N 0 0 305.378 2.100 10 30 DEEERN C#CCSCCNC(=O)N[C@@H](C)Cc1cccc(OC)c1 ZINC000740050917 637779930 /nfs/dbraw/zinc/77/99/30/637779930.db2.gz GCVZZRQUQRARFI-ZDUSSCGKSA-N 0 0 306.431 2.292 10 30 DEEERN CNS(=O)(=O)c1ccc(C(C)N=Nc2ccc(C)cn2)cc1 ZINC000727263234 637798912 /nfs/dbraw/zinc/79/89/12/637798912.db2.gz SUJRGGJBFXEWKF-UHFFFAOYSA-N 0 0 318.402 2.134 10 30 DEEERN Cc1ccc(NN=C2CCS(=O)(=O)c3ccccc32)nc1 ZINC000727263196 637799334 /nfs/dbraw/zinc/79/93/34/637799334.db2.gz RFXPXZKHTXXTQR-UHFFFAOYSA-N 0 0 301.371 2.384 10 30 DEEERN C=C(COC(=O)c1cccc(NC(=O)N(C)C)c1)C(=O)OCC ZINC000740366919 637844539 /nfs/dbraw/zinc/84/45/39/637844539.db2.gz KLKXTKKVKXNKCC-UHFFFAOYSA-N 0 0 320.345 2.056 10 30 DEEERN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)OCC#N)CC1 ZINC000727556842 638038716 /nfs/dbraw/zinc/03/87/16/638038716.db2.gz DKPUHEKKOIAWMO-UHFFFAOYSA-N 0 0 315.373 2.017 10 30 DEEERN C[C@@H](CCc1ccco1)Nc1ccc(S(N)(=O)=O)cc1C#N ZINC000742175147 638040632 /nfs/dbraw/zinc/04/06/32/638040632.db2.gz NKPROLXRNRXUMK-NSHDSACASA-N 0 0 319.386 2.232 10 30 DEEERN CCn1c(-c2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000742407297 638069258 /nfs/dbraw/zinc/06/92/58/638069258.db2.gz IGPZBWSTRQCMOZ-INIZCTEOSA-N 0 0 322.416 2.142 10 30 DEEERN C[C@]1(c2ccccc2)C[C@@H]1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000743642657 638164405 /nfs/dbraw/zinc/16/44/05/638164405.db2.gz UPIBTYGIOBQRBW-JENIJYKNSA-N 0 0 324.428 2.098 10 30 DEEERN C#C[C@@H](C)OC(=O)CCn1cnc2sc(C)c(C)c2c1=O ZINC000744177790 638199193 /nfs/dbraw/zinc/19/91/93/638199193.db2.gz ABHUXLBHQRYIAH-SECBINFHSA-N 0 0 304.371 2.030 10 30 DEEERN C#CCNC(=O)[C@@H](C)OC(=O)c1cccc(-c2cscn2)c1 ZINC000745608414 638277309 /nfs/dbraw/zinc/27/73/09/638277309.db2.gz YJIOWSHGMPAUOR-LLVKDONJSA-N 0 0 314.366 2.105 10 30 DEEERN CCO[C@H]1CCCN(C(=O)NCc2ccc(OC)c(C#N)c2)C1 ZINC000746773718 638376799 /nfs/dbraw/zinc/37/67/99/638376799.db2.gz YFXZWRSTVDJGEQ-HNNXBMFYSA-N 0 0 317.389 2.277 10 30 DEEERN COc1ccc(CNC(=O)[C@H]2CSCCS2)cc1C#N ZINC000747070226 638404993 /nfs/dbraw/zinc/40/49/93/638404993.db2.gz KCDWRNWLLZXRHB-CYBMUJFWSA-N 0 0 308.428 2.032 10 30 DEEERN C=CC[C@H](C)NS(=O)(=O)c1ccc(/C=C\C(=O)OC)cc1 ZINC000747274165 638425888 /nfs/dbraw/zinc/42/58/88/638425888.db2.gz TVVHRYKAGZKRKP-KGTBHZDVSA-N 0 0 309.387 2.116 10 30 DEEERN COc1ccc(CNC(=O)NCc2ccc(F)cn2)cc1C#N ZINC000747421099 638436546 /nfs/dbraw/zinc/43/65/46/638436546.db2.gz UHIXNUZXGKNRFI-UHFFFAOYSA-N 0 0 314.320 2.100 10 30 DEEERN COc1ccc(CNC(=O)c2n[nH]c3c2CCCC3)cc1C#N ZINC000747445715 638438523 /nfs/dbraw/zinc/43/85/23/638438523.db2.gz WMLKFCLLCHLPTP-UHFFFAOYSA-N 0 0 310.357 2.099 10 30 DEEERN N#Cc1ccc(NCCNC(=O)N2C[C@@H]3CCCC[C@H]3C2)nc1 ZINC000750277623 638730776 /nfs/dbraw/zinc/73/07/76/638730776.db2.gz CAJVIBGTUBYFNG-GJZGRUSLSA-N 0 0 313.405 2.197 10 30 DEEERN C=CCNS(=O)(=O)c1cccc(C(=O)OCC2CC=CC2)c1 ZINC000750373438 638737950 /nfs/dbraw/zinc/73/79/50/638737950.db2.gz OZZKSJZJJDBIRV-UHFFFAOYSA-N 0 0 321.398 2.274 10 30 DEEERN CCO[C@H](C)c1noc(COC(=O)Cc2cccc(C#N)c2)n1 ZINC000750430241 638743757 /nfs/dbraw/zinc/74/37/57/638743757.db2.gz KFZPMIOMRLJXET-LLVKDONJSA-N 0 0 315.329 2.325 10 30 DEEERN N#Cc1cccc(CC(=O)O[C@H](C(N)=O)c2ccc(F)cc2)c1 ZINC000750430719 638743993 /nfs/dbraw/zinc/74/39/93/638743993.db2.gz NYHBOOJAXADARS-INIZCTEOSA-N 0 0 312.300 2.010 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)c1sc([C@H](C)OC)nc1C ZINC000750448037 638745472 /nfs/dbraw/zinc/74/54/72/638745472.db2.gz PHVOJZAIZXDXBU-UWVGGRQHSA-N 0 0 312.391 2.006 10 30 DEEERN C=CCc1cc(OC)ccc1OC(=O)[C@@H]1CCCN1C(C)=O ZINC000750785121 639027148 /nfs/dbraw/zinc/02/71/48/639027148.db2.gz LKKREYRFXYNOLQ-HNNXBMFYSA-N 0 0 303.358 2.340 10 30 DEEERN C#CCCCS(=O)(=O)NCc1nc2ccccc2n1C1CC1 ZINC000805062232 639427386 /nfs/dbraw/zinc/42/73/86/639427386.db2.gz AGDBOGWYTDAYKB-UHFFFAOYSA-N 0 0 317.414 2.204 10 30 DEEERN C=CCN(C(=O)CN1CCN(Cc2ccccc2)CC1)C(C)C ZINC000728867506 639599126 /nfs/dbraw/zinc/59/91/26/639599126.db2.gz NLWABIPVWVMGBV-UHFFFAOYSA-N 0 0 315.461 2.227 10 30 DEEERN C#CCCCS(=O)(=O)N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000805095250 639633480 /nfs/dbraw/zinc/63/34/80/639633480.db2.gz SSWYMHGDGWKSGY-AWEZNQCLSA-N 0 0 311.378 2.154 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)C(C)(C)C ZINC000805146484 639839449 /nfs/dbraw/zinc/83/94/49/639839449.db2.gz IFFOAJQGTWPBAF-AWEZNQCLSA-N 0 0 319.382 2.119 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccc(F)c(F)c1F)C(C)(C)C ZINC000805148732 639848763 /nfs/dbraw/zinc/84/87/63/639848763.db2.gz LBBBPSZKHQIMMN-JTQLQIEISA-N 0 0 305.321 2.430 10 30 DEEERN C=CCOc1ccccc1C(=O)O[C@@H]1CC[C@H](S(C)(=O)=O)C1 ZINC000752204061 639935005 /nfs/dbraw/zinc/93/50/05/639935005.db2.gz AAOLBNFVAHMXOJ-OLZOCXBDSA-N 0 0 324.398 2.374 10 30 DEEERN CC[C@@H](C#N)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000179236335 640607592 /nfs/dbraw/zinc/60/75/92/640607592.db2.gz IZJJGJTYRFVTGX-NSHDSACASA-N 0 0 302.334 2.227 10 30 DEEERN CCN1CC[C@@H](/N=C\c2cc(Br)ccc2O)C1=O ZINC000801646640 641586609 /nfs/dbraw/zinc/58/66/09/641586609.db2.gz UUHMWIGAGBLBGO-SHLUWWQESA-N 0 0 311.179 2.194 10 30 DEEERN C=CCCCCCCNC(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000805790955 643299254 /nfs/dbraw/zinc/29/92/54/643299254.db2.gz GRTLPUYZMBWMRX-ZDUSSCGKSA-N 0 0 316.467 2.388 10 30 DEEERN C=COCCOC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000805905459 643783252 /nfs/dbraw/zinc/78/32/52/643783252.db2.gz LMUBKMZDTUCEQA-ZDUSSCGKSA-N 0 0 304.321 2.227 10 30 DEEERN C=CCOC(=O)N1CCC(OC(=O)Cc2ccc(F)cn2)CC1 ZINC000805940114 643916759 /nfs/dbraw/zinc/91/67/59/643916759.db2.gz TUDGCYAYFSVADI-UHFFFAOYSA-N 0 0 322.336 2.093 10 30 DEEERN C=C[C@@H](C(=O)OC)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000800341842 645259708 /nfs/dbraw/zinc/25/97/08/645259708.db2.gz IHNFUHOPFVIHIT-ZDUSSCGKSA-N 0 0 312.410 2.045 10 30 DEEERN COc1ccc(C(=O)C[C@H](C)C(=O)OCCO[C@@H](C)C#N)cc1 ZINC000801862114 645453430 /nfs/dbraw/zinc/45/34/30/645453430.db2.gz OXJOQRQILMACFK-STQMWFEESA-N 0 0 319.357 2.376 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N1CC[C@H](OC(F)F)C1 ZINC000802166799 645490644 /nfs/dbraw/zinc/49/06/44/645490644.db2.gz IFEYNKVDNPVOKP-ZDUSSCGKSA-N 0 0 324.327 2.222 10 30 DEEERN CC[C@H](CC#N)OC(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000802218522 645500650 /nfs/dbraw/zinc/50/06/50/645500650.db2.gz DOSIRSJTEQGBOC-SNVBAGLBSA-N 0 0 305.334 2.281 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000803698951 645681543 /nfs/dbraw/zinc/68/15/43/645681543.db2.gz KIISOSFMWMBTDE-GOEBONIOSA-N 0 0 303.402 2.372 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](Cc1ccc(F)cc1)C(=O)OC ZINC000803698562 645681881 /nfs/dbraw/zinc/68/18/81/645681881.db2.gz BPPQVMUYLPFVQR-MRXNPFEDSA-N 0 0 316.328 2.116 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000803699980 645682634 /nfs/dbraw/zinc/68/26/34/645682634.db2.gz XTKDTPJBAHNKME-GFCCVEGCSA-N 0 0 308.337 2.340 10 30 DEEERN C=CCN1CC(=O)N(c2cc(-c3ccccc3F)on2)C1=O ZINC000804256558 645746930 /nfs/dbraw/zinc/74/69/30/645746930.db2.gz ONVXFJGYPDMUOQ-UHFFFAOYSA-N 0 0 301.277 2.435 10 30 DEEERN Cc1cc(C#N)nc(N(C)Cc2ccn(-c3ccccc3)n2)n1 ZINC000804361479 645760235 /nfs/dbraw/zinc/76/02/35/645760235.db2.gz SVBYIBBFEVJNHC-UHFFFAOYSA-N 0 0 304.357 2.479 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)c1ccc(O)cc1 ZINC000804453316 645773341 /nfs/dbraw/zinc/77/33/41/645773341.db2.gz DVSKKGSRTAHQMX-MRXNPFEDSA-N 0 0 307.349 2.326 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cccc2ncnn21 ZINC000804455370 645774206 /nfs/dbraw/zinc/77/42/06/645774206.db2.gz GYWCCOCHPFXMSS-OAHLLOKOSA-N 0 0 304.353 2.094 10 30 DEEERN C#CCN(Cc1ccccc1)C(=O)NCc1cccc(OC)n1 ZINC000806643252 645856834 /nfs/dbraw/zinc/85/68/34/645856834.db2.gz VUCFPXARTRASFQ-UHFFFAOYSA-N 0 0 309.369 2.435 10 30 DEEERN C#C[C@@H](C)NC(=O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000807013645 645901221 /nfs/dbraw/zinc/90/12/21/645901221.db2.gz YZWVUHZFPWQSEJ-SECBINFHSA-N 0 0 317.345 2.026 10 30 DEEERN C#C[C@H](C)NC(=O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000807013646 645901255 /nfs/dbraw/zinc/90/12/55/645901255.db2.gz YZWVUHZFPWQSEJ-VIFPVBQESA-N 0 0 317.345 2.026 10 30 DEEERN C#C[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000807013637 645901324 /nfs/dbraw/zinc/90/13/24/645901324.db2.gz YSSULZYGSMXIBY-SSDOTTSWSA-N 0 0 318.682 2.435 10 30 DEEERN C#CC[C@H](NC(=O)NC[C@H](CO)c1cccnc1)c1ccccc1 ZINC000807029057 645902198 /nfs/dbraw/zinc/90/21/98/645902198.db2.gz BZTSUAMQUQLULJ-MSOLQXFVSA-N 0 0 323.396 2.221 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000807157741 645916737 /nfs/dbraw/zinc/91/67/37/645916737.db2.gz CHIOBGOQPDEXDT-AWEZNQCLSA-N 0 0 306.369 2.107 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C)n1 ZINC000807335184 645939968 /nfs/dbraw/zinc/93/99/68/645939968.db2.gz DWVNHBLIZHZRNQ-MRXNPFEDSA-N 0 0 321.380 2.079 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1(CCO)CC1 ZINC000807466231 645953160 /nfs/dbraw/zinc/95/31/60/645953160.db2.gz QBUZODBQVPYBLN-INIZCTEOSA-N 0 0 300.402 2.083 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C[C@@H](C)O)C(C)C ZINC000807468049 645954549 /nfs/dbraw/zinc/95/45/49/645954549.db2.gz NCGYPOHSEYIGMJ-NVXWUHKLSA-N 0 0 302.418 2.422 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@H](O)CC(F)(F)C1 ZINC000807466459 645954617 /nfs/dbraw/zinc/95/46/17/645954617.db2.gz BEHFPDLRDUVGIQ-LSDHHAIUSA-N 0 0 322.355 2.033 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@](C)(O)C1CC1 ZINC000807470407 645954627 /nfs/dbraw/zinc/95/46/27/645954627.db2.gz RCUSWMXPWXQNLN-FUHWJXTLSA-N 0 0 300.402 2.081 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@](C)(O)CSC ZINC000807466670 645954729 /nfs/dbraw/zinc/95/47/29/645954729.db2.gz YQAPPPNWUCLVAD-WBVHZDCISA-N 0 0 320.458 2.034 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC1CC(O)C1 ZINC000807471006 645955285 /nfs/dbraw/zinc/95/52/85/645955285.db2.gz WWKYUUGOZNOCDC-CGZBRXJRSA-N 0 0 300.402 2.081 10 30 DEEERN CC(=NNCCC(=O)OC(C)(C)C)c1cn2c(n1)CCCC2 ZINC000807982898 646015086 /nfs/dbraw/zinc/01/50/86/646015086.db2.gz RSIRGVJEHNGBOJ-UHFFFAOYSA-N 0 0 306.410 2.265 10 30 DEEERN C=CCS(=O)(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000222345309 646444493 /nfs/dbraw/zinc/44/44/93/646444493.db2.gz SZXIQJGCDVYRFP-LBPRGKRZSA-N 0 0 305.403 2.258 10 30 DEEERN Cc1cc(C#N)ccc1Cn1cncc(Br)c1=O ZINC000166210113 646515108 /nfs/dbraw/zinc/51/51/08/646515108.db2.gz MVFTYFXQOMOCHL-UHFFFAOYSA-N 0 0 304.147 2.234 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)NC[C@@H](C)C(C)C)c1 ZINC000172478284 646738671 /nfs/dbraw/zinc/73/86/71/646738671.db2.gz ODTSPXDZQVYHMH-CYBMUJFWSA-N 0 0 301.390 2.198 10 30 DEEERN COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000173939564 646785591 /nfs/dbraw/zinc/78/55/91/646785591.db2.gz VWFJJFNBTFJEDP-RBSFLKMASA-N 0 0 306.406 2.064 10 30 DEEERN C#CCCCNC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000174116299 646791426 /nfs/dbraw/zinc/79/14/26/646791426.db2.gz MSFRMQKSOIDDIX-UHFFFAOYSA-N 0 0 312.373 2.073 10 30 DEEERN C#CCCCNC(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000174120570 646791868 /nfs/dbraw/zinc/79/18/68/646791868.db2.gz FIAHGNPPENDKEE-UHFFFAOYSA-N 0 0 323.437 2.441 10 30 DEEERN C#C[C@H](C)OC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000174442307 646811008 /nfs/dbraw/zinc/81/10/08/646811008.db2.gz SNNCJYRFTBYCQG-HNNXBMFYSA-N 0 0 313.397 2.423 10 30 DEEERN C#CCN(CC#C)C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000174523667 646813092 /nfs/dbraw/zinc/81/30/92/646813092.db2.gz DGMYYZRBDMXJNW-PBHICJAKSA-N 0 0 305.805 2.347 10 30 DEEERN C=CCC[C@H](C)OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000089317908 647259006 /nfs/dbraw/zinc/25/90/06/647259006.db2.gz NXQNTGRJFOBVSP-ZDUSSCGKSA-N 0 0 322.405 2.481 10 30 DEEERN C#C[C@H](OC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)C1CC1 ZINC000152739491 647265526 /nfs/dbraw/zinc/26/55/26/647265526.db2.gz GCUMFTPHQWVPRE-STQMWFEESA-N 0 0 309.431 2.279 10 30 DEEERN C#CCOc1ccc([C@H](C)OC(=O)CCCS(C)(=O)=O)cc1 ZINC000731292093 647465863 /nfs/dbraw/zinc/46/58/63/647465863.db2.gz HVGFNQQEHBJCQA-ZDUSSCGKSA-N 0 0 324.398 2.128 10 30 DEEERN N#C[C@H]1CN(C(=O)C2(c3ccccc3)CCC2)CCN1C1CC1 ZINC000732648710 647636095 /nfs/dbraw/zinc/63/60/95/647636095.db2.gz TYTPTIVWEBXFAD-KRWDZBQOSA-N 0 0 309.413 2.307 10 30 DEEERN Cn1cc(C#N)cc1C(=O)OCc1ccn(-c2ccccc2)n1 ZINC000175568641 648355137 /nfs/dbraw/zinc/35/51/37/648355137.db2.gz KDZOYMKFZWLOQO-UHFFFAOYSA-N 0 0 306.325 2.439 10 30 DEEERN Cc1ccc([C@](O)(CC(=O)N[C@@H](C#N)C2CC2)C(F)(F)F)o1 ZINC000180097419 648458674 /nfs/dbraw/zinc/45/86/74/648458674.db2.gz ZZVLEUHKORAPML-GXFFZTMASA-N 0 0 316.279 2.146 10 30 DEEERN C=C[C@H](CC)OC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000181205442 648581743 /nfs/dbraw/zinc/58/17/43/648581743.db2.gz VUAGEENPKCDORM-SECBINFHSA-N 0 0 303.405 2.120 10 30 DEEERN CC(C)[C@H](C)CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000181868139 648771792 /nfs/dbraw/zinc/77/17/92/648771792.db2.gz SZEAFMCHBJRGSB-OLZOCXBDSA-N 0 0 317.389 2.324 10 30 DEEERN N#Cc1c(F)cccc1S(=O)(=O)NCCc1ccsc1 ZINC000070398060 648915219 /nfs/dbraw/zinc/91/52/19/648915219.db2.gz XMVCWMPWAHICJU-UHFFFAOYSA-N 0 0 310.375 2.280 10 30 DEEERN N#CCOc1ccccc1C(=O)OC1CCN(CC(F)F)CC1 ZINC000183994949 649218755 /nfs/dbraw/zinc/21/87/55/649218755.db2.gz AUBFKRLXVSTHBF-UHFFFAOYSA-N 0 0 324.327 2.475 10 30 DEEERN CCc1ccc(N2C[C@H](C(=O)N[C@H](C#N)C3CC3)CC2=O)cc1 ZINC000108831884 651721838 /nfs/dbraw/zinc/72/18/38/651721838.db2.gz HYZJZTDSHMHGRZ-GDBMZVCRSA-N 0 0 311.385 2.020 10 30 DEEERN CC(=O)N(CCC(=O)O[C@@H](C#N)C1CC1)Cc1ccccc1 ZINC000080414222 683982349 /nfs/dbraw/zinc/98/23/49/683982349.db2.gz KEPKSDQOTFXUMD-INIZCTEOSA-N 0 0 300.358 2.271 10 30 DEEERN COC(=O)[C@H](OC(=O)c1cncc(C)c1)c1ccc(C#N)cc1 ZINC000080479919 683983007 /nfs/dbraw/zinc/98/30/07/683983007.db2.gz OHSWAFWTGBWTNE-OAHLLOKOSA-N 0 0 310.309 2.333 10 30 DEEERN CC(C)NC(=O)[C@@H](C#N)C(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000120081095 684091909 /nfs/dbraw/zinc/09/19/09/684091909.db2.gz QWTSNANOXBPNSQ-NSHDSACASA-N 0 0 322.311 2.161 10 30 DEEERN C#CCOCCC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000121901790 684110809 /nfs/dbraw/zinc/11/08/09/684110809.db2.gz KODNQXBKSWODME-NRFANRHFSA-N 0 0 319.304 2.292 10 30 DEEERN C#Cc1cccc(NC(=O)C[N@@H+](C)CC2(O)CCCCC2)c1 ZINC000128243452 684169932 /nfs/dbraw/zinc/16/99/32/684169932.db2.gz GYFFFRCMZMHHHM-UHFFFAOYSA-N 0 0 300.402 2.233 10 30 DEEERN COc1cccc([C@H](O)CNC(=O)c2ccc(C#N)cc2C)c1 ZINC000132104239 684205408 /nfs/dbraw/zinc/20/54/08/684205408.db2.gz BIRDIKSKBDXFPZ-QGZVFWFLSA-N 0 0 310.353 2.339 10 30 DEEERN CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2cocn2)cc1 ZINC000188047374 684348445 /nfs/dbraw/zinc/34/84/45/684348445.db2.gz RKDQHCKEJBTKEL-BQYQJAHWSA-N 0 0 306.343 2.332 10 30 DEEERN C=CCc1cc(OC)ccc1OC(=O)Cn1ccc(C)cc1=O ZINC000192477763 684450750 /nfs/dbraw/zinc/45/07/50/684450750.db2.gz JULLFRHRPNWJOX-UHFFFAOYSA-N 0 0 313.353 2.499 10 30 DEEERN N#CC1(c2ccc(C(=O)N3CCO[C@@H](C(F)F)C3)cc2)CC1 ZINC000194108542 685057577 /nfs/dbraw/zinc/05/75/77/685057577.db2.gz FIHQBUZDBATDCK-CYBMUJFWSA-N 0 0 306.312 2.348 10 30 DEEERN CC(C)(C)SCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000194567657 685070766 /nfs/dbraw/zinc/07/07/66/685070766.db2.gz RCNPFSOSFJKBRW-UHFFFAOYSA-N 0 0 318.446 2.134 10 30 DEEERN COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccn(C)c2C)c1 ZINC000194885809 685080730 /nfs/dbraw/zinc/08/07/30/685080730.db2.gz OCDKXGWUXKRRMD-OAHLLOKOSA-N 0 0 311.341 2.303 10 30 DEEERN CC(C)(C)CN(CCC#N)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000245890151 685119535 /nfs/dbraw/zinc/11/95/35/685119535.db2.gz FWHDEVCNDCTFCT-ZIAGYGMSSA-N 0 0 303.406 2.157 10 30 DEEERN N#C[C@H](C(=O)NC1CC1)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246005089 685121372 /nfs/dbraw/zinc/12/13/72/685121372.db2.gz FRSQDCAJDKXJKJ-SRVKXCTJSA-N 0 0 304.296 2.056 10 30 DEEERN COc1cccc(C#CCOC(=O)[C@@H](C)OC[C@@H]2CCCO2)c1 ZINC000176596618 782727417 /nfs/dbraw/zinc/72/74/17/782727417.db2.gz CCBZACMZPCGSPW-PBHICJAKSA-N 0 0 318.369 2.174 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NCc2cnc(Cl)s2)s1 ZINC000718884533 784507853 /nfs/dbraw/zinc/50/78/53/784507853.db2.gz ZMWJVICELNKRFG-UHFFFAOYSA-N 0 0 319.820 2.208 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)NCC[C@H]1CCCS1 ZINC000715963966 792541209 /nfs/dbraw/zinc/54/12/09/792541209.db2.gz BBYXQZGCSUEAIE-CYBMUJFWSA-N 0 0 310.444 2.431 10 30 DEEERN C#CC[C@H](COC)NC(=O)c1c(F)cccc1Br ZINC000716844569 793009475 /nfs/dbraw/zinc/00/94/75/793009475.db2.gz GXPFITDJISACGZ-SECBINFHSA-N 0 0 314.154 2.356 10 30 DEEERN C#CC[C@@H](COC)NC(=O)c1cc(F)cc(Br)c1 ZINC000716843626 793010260 /nfs/dbraw/zinc/01/02/60/793010260.db2.gz CBQOCLFYAOBJHI-LBPRGKRZSA-N 0 0 314.154 2.356 10 30 DEEERN C#CC[C@@H](COC)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000716886420 793019530 /nfs/dbraw/zinc/01/95/30/793019530.db2.gz DXTAUJPETUAFGB-JTQLQIEISA-N 0 0 322.213 2.310 10 30 DEEERN C#CC[C@@H](COC)NS(=O)(=O)c1cc(C)c(Cl)s1 ZINC000716877026 793019652 /nfs/dbraw/zinc/01/96/52/793019652.db2.gz CAKWVFOSLXCRDY-VIFPVBQESA-N 0 0 307.824 2.027 10 30 DEEERN C#CCCCCNC(=O)N1CCN(CC(F)F)[C@@H](CC)C1 ZINC000130707563 799239705 /nfs/dbraw/zinc/23/97/05/799239705.db2.gz UKTRZMWNCFIPQH-ZDUSSCGKSA-N 0 0 301.381 2.161 10 30 DEEERN C#CCC[C@H](O)CNC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000717934826 1081806767 /nfs/dbraw/zinc/80/67/67/1081806767.db2.gz AGLVFSQZDDJPHH-JTQLQIEISA-N 0 0 316.184 2.263 10 30 DEEERN C#CC1(O)CCN(Cc2ccsc2Br)CC1 ZINC000708166300 1086676903 /nfs/dbraw/zinc/67/69/03/1086676903.db2.gz YJUOVZGVMSEUFI-UHFFFAOYSA-N 0 0 300.221 2.471 10 30 DEEERN C[C@@]1(CNS(=O)(=O)c2cc(F)cc(C#N)c2)CC1(F)F ZINC000720086089 1089496830 /nfs/dbraw/zinc/49/68/30/1089496830.db2.gz ZKQXMGLSYCTKHD-NSHDSACASA-N 0 0 304.293 2.021 10 30 DEEERN C#CCN(CC)S(=O)(=O)c1c2ccccc2sc1CO ZINC000162071926 197541775 /nfs/dbraw/zinc/54/17/75/197541775.db2.gz GLWKAOXEJPWTGD-UHFFFAOYSA-N 0 0 309.412 2.037 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N1CCO[C@](C)(COC)C1 ZINC000624833595 365565337 /nfs/dbraw/zinc/56/53/37/365565337.db2.gz MWRJEECNQCRKIY-CJNGLKHVSA-N 0 0 308.426 2.219 10 30 DEEERN C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N(C)C[C@@H]1CCCO1 ZINC000624837531 365566351 /nfs/dbraw/zinc/56/63/51/365566351.db2.gz RNWQAOHRYPKLJR-HZSPNIEDSA-N 0 0 306.410 2.319 10 30 DEEERN C[C@@H](CS(C)(=O)=O)Nc1ccc(C(F)(F)F)cc1C#N ZINC000081904183 192336811 /nfs/dbraw/zinc/33/68/11/192336811.db2.gz KOKWTBKYJOFLTE-QMMMGPOBSA-N 0 0 306.309 2.422 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000078828094 185116706 /nfs/dbraw/zinc/11/67/06/185116706.db2.gz OIKTUZOVTOCSGH-UHFFFAOYSA-N 0 0 322.430 2.047 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCc2c(F)cc(F)cc2C1 ZINC000612532676 361855105 /nfs/dbraw/zinc/85/51/05/361855105.db2.gz DFWDSNSPBFODKZ-INIZCTEOSA-N 0 0 322.355 2.320 10 30 DEEERN C=C(C)CN(CC)c1nnc([C@H]2COCCO2)n1CC1CC1 ZINC000612885997 361941610 /nfs/dbraw/zinc/94/16/10/361941610.db2.gz FHCPLSNRLPTRQG-CQSZACIVSA-N 0 0 306.410 2.178 10 30 DEEERN N#Cc1cccc(NC(=O)Cc2cnnn2-c2ccccc2)c1 ZINC000082338640 185176446 /nfs/dbraw/zinc/17/64/46/185176446.db2.gz UESNXGWYKGONNW-UHFFFAOYSA-N 0 0 303.325 2.320 10 30 DEEERN C=C[C@](C)(O)CC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000278923231 214498922 /nfs/dbraw/zinc/49/89/22/214498922.db2.gz SCLPLWGDAKIYOL-KRWDZBQOSA-N 0 0 318.348 2.467 10 30 DEEERN COCCN(CCC#N)C(=O)c1sc2ccccc2c1N ZINC000088638616 185260561 /nfs/dbraw/zinc/26/05/61/185260561.db2.gz ILZOIZXJWPWBGM-UHFFFAOYSA-N 0 0 303.387 2.486 10 30 DEEERN Cc1cc(C#N)cc(C)c1OCC[C@H](C)CCS(N)(=O)=O ZINC000088692409 185262294 /nfs/dbraw/zinc/26/22/94/185262294.db2.gz WDUQBFIHFMCNBR-NSHDSACASA-N 0 0 310.419 2.259 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCC(O)(C(F)(F)F)CC1 ZINC000089951015 185271553 /nfs/dbraw/zinc/27/15/53/185271553.db2.gz INHWIDHASGNIGC-UHFFFAOYSA-N 0 0 312.291 2.396 10 30 DEEERN CCc1nn(C)c(C(=O)Nc2sc(C)c(C)c2C#N)c1N ZINC000090150643 185283748 /nfs/dbraw/zinc/28/37/48/185283748.db2.gz IMIBQMOANPHSLJ-UHFFFAOYSA-N 0 0 303.391 2.367 10 30 DEEERN O=C(NCC#CCOc1ccccc1F)c1ccc([N+](=O)[O-])o1 ZINC000090727358 185311321 /nfs/dbraw/zinc/31/13/21/185311321.db2.gz ORERWENNOKLHCT-UHFFFAOYSA-N 0 0 318.260 2.139 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(CO)c(C)cc1C ZINC000613865977 362235106 /nfs/dbraw/zinc/23/51/06/362235106.db2.gz JYVLQEWTVDNHNU-INIZCTEOSA-N 0 0 304.390 2.205 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc2c[nH]nc2cc1C ZINC000613918309 362246230 /nfs/dbraw/zinc/24/62/30/362246230.db2.gz NAYFUVLZLXATAY-OAHLLOKOSA-N 0 0 300.362 2.281 10 30 DEEERN CC(C)c1ccnc(N2CCN(c3ccncc3C#N)CC2)n1 ZINC000614149077 362300364 /nfs/dbraw/zinc/30/03/64/362300364.db2.gz DOOLDHBRFKELRO-UHFFFAOYSA-N 0 0 308.389 2.193 10 30 DEEERN CCc1c(C(=O)Nc2nc3c(cc2C#N)CCCC3)cnn1C ZINC000614298865 362342378 /nfs/dbraw/zinc/34/23/78/362342378.db2.gz PIORIMHBCATBSF-UHFFFAOYSA-N 0 0 309.373 2.380 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCN(Cc2ncon2)C1 ZINC000614664033 362431448 /nfs/dbraw/zinc/43/14/48/362431448.db2.gz BGLVFWJVILDCNR-UONOGXRCSA-N 0 0 306.410 2.000 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCOc2ccc(C)cc2C1 ZINC000614729693 362449584 /nfs/dbraw/zinc/44/95/84/362449584.db2.gz SGLNFLVRRBUUNX-MRXNPFEDSA-N 0 0 316.401 2.187 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc2cc(C)ccc2[nH]1 ZINC000615185787 362552693 /nfs/dbraw/zinc/55/26/93/362552693.db2.gz PEUUGIANDILVBL-AWEZNQCLSA-N 0 0 300.362 2.281 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@]2(CCSC2)C1 ZINC000616113199 362774443 /nfs/dbraw/zinc/77/44/43/362774443.db2.gz JSHWUDKKCAYCKF-GDBMZVCRSA-N 0 0 310.463 2.203 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnn2cccc(Cl)c12 ZINC000616408721 362849262 /nfs/dbraw/zinc/84/92/62/362849262.db2.gz AAGABWRXFUPUOY-GWCFXTLKSA-N 0 0 305.765 2.309 10 30 DEEERN N#Cc1ccc(CS(=O)(=O)NOCc2ccccc2)cc1 ZINC000070272849 190876607 /nfs/dbraw/zinc/87/66/07/190876607.db2.gz GCJPXIXISJXBQY-UHFFFAOYSA-N 0 0 302.355 2.109 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CCC2(CCCC2)O1 ZINC000616719513 362920655 /nfs/dbraw/zinc/92/06/55/362920655.db2.gz VQZRRJDGQMNOGC-CABCVRRESA-N 0 0 308.422 2.065 10 30 DEEERN C=C(C)[C@@H](CC(=O)Nc1ccc(C(=O)N(C)C)cn1)OCC ZINC000279933793 215249136 /nfs/dbraw/zinc/24/91/36/215249136.db2.gz GPBRKAABRUUMKY-CYBMUJFWSA-N 0 0 305.378 2.093 10 30 DEEERN COC(=O)CCN1C(=O)c2ccc(C(F)(F)F)cc2C1C#N ZINC000071680962 191007839 /nfs/dbraw/zinc/00/78/39/191007839.db2.gz XWUQQMFSPNHGBW-LLVKDONJSA-N 0 0 312.247 2.289 10 30 DEEERN C[C@H]1SCCN(C(=O)c2cc(C#CCO)ccc2F)[C@@H]1C ZINC000133648555 186003594 /nfs/dbraw/zinc/00/35/94/186003594.db2.gz DRNCWHXKMQFHQR-VXGBXAGGSA-N 0 0 307.390 2.136 10 30 DEEERN CN(CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000147382767 186039433 /nfs/dbraw/zinc/03/94/33/186039433.db2.gz XZBPTDQGFPQMIJ-UHFFFAOYSA-N 0 0 300.383 2.468 10 30 DEEERN C[C@@H]1CCCN(C(=O)NCc2sccc2C#CCCO)C1 ZINC000148686827 186045804 /nfs/dbraw/zinc/04/58/04/186045804.db2.gz OZYGJSNOWCOZNE-CYBMUJFWSA-N 0 0 306.431 2.424 10 30 DEEERN C[C@H]1CCCN(C(=O)NCc2sccc2C#CCCO)C1 ZINC000148687034 186045900 /nfs/dbraw/zinc/04/59/00/186045900.db2.gz OZYGJSNOWCOZNE-ZDUSSCGKSA-N 0 0 306.431 2.424 10 30 DEEERN C#CCCCCNC(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000152520654 186081674 /nfs/dbraw/zinc/08/16/74/186081674.db2.gz YLHPLAHLCZYCJE-MRXNPFEDSA-N 0 0 302.374 2.279 10 30 DEEERN CCc1ccc(NCC(=O)N(CCC#N)CCC#N)cc1F ZINC000152470587 186077078 /nfs/dbraw/zinc/07/70/78/186077078.db2.gz CPEQPDAOYFJHCW-UHFFFAOYSA-N 0 0 302.353 2.456 10 30 DEEERN Cn1ncc(C#N)c1NC(=O)c1cccc(F)c1Br ZINC000155837911 186117067 /nfs/dbraw/zinc/11/70/67/186117067.db2.gz XGLWPULRDQTYFH-UHFFFAOYSA-N 0 0 323.125 2.446 10 30 DEEERN C=C(C)COCCNc1nc2ccc(Br)cn2n1 ZINC000164011467 186145938 /nfs/dbraw/zinc/14/59/38/186145938.db2.gz OTVKTXJPXFOPMK-UHFFFAOYSA-N 0 0 311.183 2.496 10 30 DEEERN C#CCN1C(=O)N=C(N)[C@H]1c1ccc(C)cc1Br ZINC000164367441 186157512 /nfs/dbraw/zinc/15/75/12/186157512.db2.gz LLPOHVBONXQYQR-LLVKDONJSA-N 0 0 306.163 2.225 10 30 DEEERN C(#Cc1ccccc1)CSc1nnnn1C1CCOCC1 ZINC000187990782 186240685 /nfs/dbraw/zinc/24/06/85/186240685.db2.gz XHDYHYNCQYVLCL-UHFFFAOYSA-N 0 0 300.387 2.168 10 30 DEEERN C#CCOc1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000188039154 186247947 /nfs/dbraw/zinc/24/79/47/186247947.db2.gz VJQQCKAOBNBSAA-KGLIPLIRSA-N 0 0 302.374 2.371 10 30 DEEERN C=CCCn1cc(CN2CCO[C@@H](C(F)(F)F)[C@H]2C)nn1 ZINC000626018916 366009158 /nfs/dbraw/zinc/00/91/58/366009158.db2.gz DHAQNUMJOVTYLE-ZYHUDNBSSA-N 0 0 304.316 2.006 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccn2c(=O)[nH]nc12 ZINC000617041761 363007876 /nfs/dbraw/zinc/00/78/76/363007876.db2.gz IMSVJRYLYISBNR-WCQYABFASA-N 0 0 300.362 2.300 10 30 DEEERN C=CCSCCNC(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595491998 358463451 /nfs/dbraw/zinc/46/34/51/358463451.db2.gz JVLRJOJXJFMHIW-HUUCEWRRSA-N 0 0 322.478 2.350 10 30 DEEERN C=CCCC1(CNC(=O)CS(=O)(=O)CCC)CCCC1 ZINC000617416420 363127736 /nfs/dbraw/zinc/12/77/36/363127736.db2.gz PNYCVBACXSEAGR-UHFFFAOYSA-N 0 0 301.452 2.454 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cccc(C(=O)NC)c1 ZINC000172869110 198160122 /nfs/dbraw/zinc/16/01/22/198160122.db2.gz NGOFASMFWRDACL-UHFFFAOYSA-N 0 0 300.280 2.237 10 30 DEEERN N#Cc1cccc(-c2cc(C(=O)N3CC4(C3)CCCOC4)on2)c1 ZINC000329340150 539918739 /nfs/dbraw/zinc/91/87/39/539918739.db2.gz RKAVKZYVKRAELO-UHFFFAOYSA-N 0 0 323.352 2.466 10 30 DEEERN C=CCCCN(C)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC000174582006 198355233 /nfs/dbraw/zinc/35/52/33/198355233.db2.gz MKPWUDDHGWZOMV-UHFFFAOYSA-N 0 0 303.362 2.472 10 30 DEEERN C=CCNC(=S)N/N=C/c1ccc(OCCC)c(OC)c1 ZINC000003577442 181037363 /nfs/dbraw/zinc/03/73/63/181037363.db2.gz NKNQKOSUXLNHIU-GZTJUZNOSA-N 0 0 307.419 2.468 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CC[C@H](O)C(F)(F)C2)cc1 ZINC000617805708 363271799 /nfs/dbraw/zinc/27/17/99/363271799.db2.gz YTOOGWQWLMKNKN-AWEZNQCLSA-N 0 0 311.328 2.022 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@@]1(CC)OCCc2ccccc21 ZINC000292168268 222880797 /nfs/dbraw/zinc/88/07/97/222880797.db2.gz ZVNQPYZTBLNRKF-CRAIPNDOSA-N 0 0 318.417 2.101 10 30 DEEERN N#Cc1ccccc1NC(=O)Cn1cnc2ccc(F)cc2c1=O ZINC000000390750 353989367 /nfs/dbraw/zinc/98/93/67/353989367.db2.gz NLLPYSAHVAWIAT-UHFFFAOYSA-N 0 0 322.299 2.046 10 30 DEEERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000026111327 354079643 /nfs/dbraw/zinc/07/96/43/354079643.db2.gz BAFVMYIZUYCABB-NWDGAFQWSA-N 0 0 311.341 2.147 10 30 DEEERN C=CCNC(=O)Cc1noc([C@@H]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000346992583 540017766 /nfs/dbraw/zinc/01/77/66/540017766.db2.gz XWFGEVDGRWMGNP-RKDXNWHRSA-N 0 0 303.284 2.360 10 30 DEEERN N#Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccco2)cc1 ZINC000045408784 354254992 /nfs/dbraw/zinc/25/49/92/354254992.db2.gz QNYJLPNVOLRAOE-HNNXBMFYSA-N 0 0 323.352 2.072 10 30 DEEERN C=CCOCCNC(=O)Cc1ccc(OC)c(OC(F)F)c1 ZINC000626404160 366175363 /nfs/dbraw/zinc/17/53/63/366175363.db2.gz UELHRIACSALXEM-UHFFFAOYSA-N 0 0 315.316 2.158 10 30 DEEERN Cc1ccccc1C(=O)NCC(=O)Nc1ccc(CC#N)cc1 ZINC000061509743 354626607 /nfs/dbraw/zinc/62/66/07/354626607.db2.gz BXLFGGWUPLTXJW-UHFFFAOYSA-N 0 0 307.353 2.430 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595568583 358488232 /nfs/dbraw/zinc/48/82/32/358488232.db2.gz WYOCIUCRGZTHTN-JSGCOSHPSA-N 0 0 321.381 2.225 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1csnn1 ZINC000063250381 354640790 /nfs/dbraw/zinc/64/07/90/354640790.db2.gz KRWFXCXQTSCZBW-UHFFFAOYSA-N 0 0 304.331 2.275 10 30 DEEERN N#CC1CCN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000057873713 283050490 /nfs/dbraw/zinc/05/04/90/283050490.db2.gz OYAYITRMSBRLKJ-LBPRGKRZSA-N 0 0 303.328 2.023 10 30 DEEERN C=CCC1(NC(=O)c2cccc(-n3cncn3)c2)CCOCC1 ZINC000618248089 363431011 /nfs/dbraw/zinc/43/10/11/363431011.db2.gz UEOIBFPQWAONFJ-UHFFFAOYSA-N 0 0 312.373 2.122 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@H]2CCCc3ccccc32)CCN1C1CC1 ZINC000370971208 283059953 /nfs/dbraw/zinc/05/99/53/283059953.db2.gz BTSDKTHAYDAHIH-AEFFLSMTSA-N 0 0 309.413 2.305 10 30 DEEERN C=CCN(CC=C)C(=O)CNc1cccc(C(=O)OC)c1C ZINC000073600773 354970461 /nfs/dbraw/zinc/97/04/61/354970461.db2.gz JCMOSYZXOLRYPT-UHFFFAOYSA-N 0 0 302.374 2.394 10 30 DEEERN N#C[C@H]1CN(C(=O)c2coc(-c3ccccc3)n2)CCN1C1CC1 ZINC000371708959 283068855 /nfs/dbraw/zinc/06/88/55/283068855.db2.gz JYSUUABZXYXFPJ-HNNXBMFYSA-N 0 0 322.368 2.154 10 30 DEEERN O=C(N[C@H]1COC[C@H]1n1ccnn1)[C@H]1CCCC(F)(F)C1 ZINC000329138235 222938840 /nfs/dbraw/zinc/93/88/40/222938840.db2.gz RVMRBGKBNVAAAA-GARJFASQSA-N 0 0 300.309 2.000 10 30 DEEERN CN1C(=O)c2cccc(NC(=O)c3cccc(C#N)c3)c2C1=O ZINC000074854145 191372980 /nfs/dbraw/zinc/37/29/80/191372980.db2.gz WXKOBOWASGCUIT-UHFFFAOYSA-N 0 0 305.293 2.036 10 30 DEEERN C=CCCSCCNC(=O)N[C@H]1CC[C@@H](C(=O)OCC)C1 ZINC000595596260 358496284 /nfs/dbraw/zinc/49/62/84/358496284.db2.gz JJNQBGKZTWYSDF-OLZOCXBDSA-N 0 0 314.451 2.327 10 30 DEEERN C=C(C)CN(CC)C(=O)Cn1ccc2ccc(OC)cc2c1=O ZINC000092333278 355628068 /nfs/dbraw/zinc/62/80/68/355628068.db2.gz OMPJSDYWKIRISC-UHFFFAOYSA-N 0 0 314.385 2.435 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000618294082 363452835 /nfs/dbraw/zinc/45/28/35/363452835.db2.gz HBOKPWIUEUHNQT-QGZVFWFLSA-N 0 0 302.374 2.024 10 30 DEEERN CCOC(=O)CC[C@@H]1CCCN(C(=O)c2cc(C#N)cn2C)C1 ZINC000118961415 355781951 /nfs/dbraw/zinc/78/19/51/355781951.db2.gz QJBRNTLESFVVNJ-ZDUSSCGKSA-N 0 0 317.389 2.092 10 30 DEEERN COc1cc(I)ccc1OC[C@@H]1CO1 ZINC000137369540 355869339 /nfs/dbraw/zinc/86/93/39/355869339.db2.gz AUPFMALIARGEKM-QMMMGPOBSA-N 0 0 306.099 2.077 10 30 DEEERN COc1cccc(CNC(=O)[C@H](C)Oc2ccccc2C#N)n1 ZINC000128271891 355827287 /nfs/dbraw/zinc/82/72/87/355827287.db2.gz WSNVBPGCAQTKLV-LBPRGKRZSA-N 0 0 311.341 2.046 10 30 DEEERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000079637577 191957264 /nfs/dbraw/zinc/95/72/64/191957264.db2.gz SQVNZAUVRHUCSN-CYBMUJFWSA-N 0 0 320.780 2.344 10 30 DEEERN O=[N+]([O-])c1ccccc1/C=N/n1nnnc1Nc1ccccc1 ZINC000005395120 181238893 /nfs/dbraw/zinc/23/88/93/181238893.db2.gz NRRBTYTUMVGFRN-XNTDXEJSSA-N 0 0 309.289 2.207 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCN(c2cccnn2)CC1 ZINC000181393304 356078827 /nfs/dbraw/zinc/07/88/27/356078827.db2.gz UIGRFBXXCNPDFW-AWEZNQCLSA-N 0 0 303.410 2.053 10 30 DEEERN CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182520734 356130362 /nfs/dbraw/zinc/13/03/62/356130362.db2.gz KVJSFEZHSCNNMP-UHFFFAOYSA-N 0 0 313.401 2.228 10 30 DEEERN C=CCNC(=O)CN[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000182609734 356133491 /nfs/dbraw/zinc/13/34/91/356133491.db2.gz BXCNSNPFDXFPSU-GFCCVEGCSA-N 0 0 308.250 2.460 10 30 DEEERN N#Cc1ccc(Oc2cccc(C(=O)N3CC(CO)C3)c2)cc1 ZINC000184227551 356188733 /nfs/dbraw/zinc/18/87/33/356188733.db2.gz ITJJOLLMCRWYAM-UHFFFAOYSA-N 0 0 308.337 2.415 10 30 DEEERN CCc1ccc(C(=O)OC)cc1C#Cc1cnc2ccnn2c1 ZINC000207941642 356268593 /nfs/dbraw/zinc/26/85/93/356268593.db2.gz ZCWYXBPKYBUANX-UHFFFAOYSA-N 0 0 305.337 2.478 10 30 DEEERN C=CCSCCNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000194544645 356241083 /nfs/dbraw/zinc/24/10/83/356241083.db2.gz XRKQYLKPRDOPGW-UHFFFAOYSA-N 0 0 316.835 2.409 10 30 DEEERN O=C1c2ccccc2C(=O)N1c1ccc(F)cc1C#CCCO ZINC000306549984 356403580 /nfs/dbraw/zinc/40/35/80/356403580.db2.gz YZIJSNARQZTWKI-UHFFFAOYSA-N 0 0 309.296 2.360 10 30 DEEERN Cc1ccc(CC(=O)NC[C@@H]2C[C@H](F)CN2CC(N)=O)cc1 ZINC000328605438 356459667 /nfs/dbraw/zinc/45/96/67/356459667.db2.gz NQMGHACPMJRRRE-KBPBESRZSA-N 0 0 307.369 2.442 10 30 DEEERN C[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1)c1ccncc1 ZINC000081298611 192247204 /nfs/dbraw/zinc/24/72/04/192247204.db2.gz HGTPPTCQSDNZJL-GFCCVEGCSA-N 0 0 301.371 2.187 10 30 DEEERN COc1cc(Cl)ccc1CNC(=O)c1cc(C#N)cn1C ZINC000081521600 192280965 /nfs/dbraw/zinc/28/09/65/192280965.db2.gz BIDPYFMLQDDNLD-UHFFFAOYSA-N 0 0 303.749 2.489 10 30 DEEERN Cc1ccc(C#N)cc1NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1 ZINC000081678023 192311806 /nfs/dbraw/zinc/31/18/06/192311806.db2.gz PYKBCCUIWNFJAR-UHFFFAOYSA-N 0 0 323.761 2.009 10 30 DEEERN C=CCOCCCNC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000618517544 363513660 /nfs/dbraw/zinc/51/36/60/363513660.db2.gz MMOYGRTZDSJSEU-UHFFFAOYSA-N 0 0 307.438 2.407 10 30 DEEERN C=CCOCCCNC(=O)CCc1nc(-c2cccs2)no1 ZINC000618517077 363513977 /nfs/dbraw/zinc/51/39/77/363513977.db2.gz IMGQTYQYTHHDCR-UHFFFAOYSA-N 0 0 321.402 2.440 10 30 DEEERN C=CCOCCCNC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C ZINC000618522685 363514338 /nfs/dbraw/zinc/51/43/38/363514338.db2.gz QBHKIXWRMZJDRH-AWEZNQCLSA-N 0 0 310.438 2.123 10 30 DEEERN C=CCOCCCNC(=O)CCc1nnc(C2CCCC2)o1 ZINC000618525592 363515813 /nfs/dbraw/zinc/51/58/13/363515813.db2.gz FRNVSOXPFQQMCH-UHFFFAOYSA-N 0 0 307.394 2.369 10 30 DEEERN C=CCOCCCNC(=O)C[C@@H](c1nccn1C)C(F)(F)F ZINC000618526844 363516752 /nfs/dbraw/zinc/51/67/52/363516752.db2.gz ZHMIARREDHOXKL-NSHDSACASA-N 0 0 319.327 2.165 10 30 DEEERN C=CCOCCCNC(=O)CCn1c(C)nc2ccccc21 ZINC000618526743 363516793 /nfs/dbraw/zinc/51/67/93/363516793.db2.gz RUSSNOMELJBXLU-UHFFFAOYSA-N 0 0 301.390 2.444 10 30 DEEERN N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000183710922 283191096 /nfs/dbraw/zinc/19/10/96/283191096.db2.gz GWGSEECMSZJSAS-CYBMUJFWSA-N 0 0 324.344 2.337 10 30 DEEERN C=CCC1(c2nc(-c3ccc(C(N)=O)cc3)no2)CCOCC1 ZINC000351307415 356650766 /nfs/dbraw/zinc/65/07/66/356650766.db2.gz YTLGRUITBQHKEI-UHFFFAOYSA-N 0 0 313.357 2.460 10 30 DEEERN N#CCCOCC[S@](=O)c1cccc(Br)c1 ZINC000385192595 356686639 /nfs/dbraw/zinc/68/66/39/356686639.db2.gz FQTREEXAGXVEFH-INIZCTEOSA-N 0 0 302.193 2.487 10 30 DEEERN N#Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1S(N)(=O)=O ZINC000514280262 356741668 /nfs/dbraw/zinc/74/16/68/356741668.db2.gz TWYNYAXPEMGIPI-UHFFFAOYSA-N 0 0 318.198 2.243 10 30 DEEERN COC(=O)c1ccc(Oc2nc(C)cc(C#N)n2)cc1[N+](=O)[O-] ZINC000588017869 540258094 /nfs/dbraw/zinc/25/80/94/540258094.db2.gz JOBMOMLFRDCVLX-UHFFFAOYSA-N 0 0 314.257 2.144 10 30 DEEERN C=C(C)Cn1c(N2CCCO[C@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000581411364 357182086 /nfs/dbraw/zinc/18/20/86/357182086.db2.gz AWJJBLMNQXSVGB-PBHICJAKSA-N 0 0 320.437 2.495 10 30 DEEERN C=CCCS(=O)(=O)N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000584718535 357297336 /nfs/dbraw/zinc/29/73/36/357297336.db2.gz VBHCTPQQAMXHOC-QWHCGFSZSA-N 0 0 317.451 2.192 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000581826678 357251486 /nfs/dbraw/zinc/25/14/86/357251486.db2.gz LPZWKJRHDLFMEV-IGCXYCKISA-N 0 0 311.422 2.140 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CCC(=O)OCC)CC1 ZINC000590681062 357579553 /nfs/dbraw/zinc/57/95/53/357579553.db2.gz UUQMEAWYBGIDEV-CABCVRRESA-N 0 0 309.406 2.159 10 30 DEEERN C=C(C)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(C)CCCO1 ZINC000590780709 357610481 /nfs/dbraw/zinc/61/04/81/357610481.db2.gz UJVRWRVHQYDMII-JKSUJKDBSA-N 0 0 319.384 2.322 10 30 DEEERN C=CCOCC(=O)N[C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000591190679 357687802 /nfs/dbraw/zinc/68/78/02/357687802.db2.gz NKPGLRLEMPQUHQ-INIZCTEOSA-N 0 0 323.396 2.320 10 30 DEEERN C=CCNC(=O)c1ccc(N[C@@H]2C[C@@H](OCC)[C@H]2SC)nc1 ZINC000591991099 357811553 /nfs/dbraw/zinc/81/15/53/357811553.db2.gz QRVWURMEQNDNQS-NFAWXSAZSA-N 0 0 321.446 2.318 10 30 DEEERN C=C[C@H](C(=O)OC)N1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC000593077211 358002420 /nfs/dbraw/zinc/00/24/20/358002420.db2.gz OZMIQRUOAZERLG-IACUBPJLSA-N 0 0 319.405 2.175 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ccnc(OCCOC)c1 ZINC000179802916 199082316 /nfs/dbraw/zinc/08/23/16/199082316.db2.gz HSHJPZDWLKKGIE-UHFFFAOYSA-N 0 0 318.295 2.297 10 30 DEEERN C=CCCn1cc(C(=O)N(C)[C@H](CC)C(=O)OC(C)(C)C)nn1 ZINC000593367450 358062505 /nfs/dbraw/zinc/06/25/05/358062505.db2.gz WCNDWWCYDLSCOM-CYBMUJFWSA-N 0 0 322.409 2.047 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1 ZINC000593603294 358109416 /nfs/dbraw/zinc/10/94/16/358109416.db2.gz KVHXQCDTXZHICK-DYVFJYSZSA-N 0 0 309.406 2.108 10 30 DEEERN C=CCCS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000593623241 358113921 /nfs/dbraw/zinc/11/39/21/358113921.db2.gz VOHNSOKRCQVCJK-VXGBXAGGSA-N 0 0 303.424 2.087 10 30 DEEERN C=CCCn1cc(C[S@@](=O)CCc2csc(C)n2)nn1 ZINC000593939328 358174630 /nfs/dbraw/zinc/17/46/30/358174630.db2.gz WZOZBGSIIZJJQZ-FQEVSTJZSA-N 0 0 310.448 2.111 10 30 DEEERN C=CCCn1cc(CNc2cc(OC)ccc2C(=O)OC)nn1 ZINC000594548141 358291767 /nfs/dbraw/zinc/29/17/67/358291767.db2.gz MPKTWINGBCNYRO-UHFFFAOYSA-N 0 0 316.361 2.262 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1=O ZINC000595296313 358415255 /nfs/dbraw/zinc/41/52/55/358415255.db2.gz ADOWUZXITRDRBY-OAHLLOKOSA-N 0 0 303.362 2.204 10 30 DEEERN N#Cc1ccc(NC(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000180986075 199236676 /nfs/dbraw/zinc/23/66/76/199236676.db2.gz XBHBTYWQGGWECA-CQSZACIVSA-N 0 0 310.361 2.094 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C#N)cc1OC ZINC000595371289 358434188 /nfs/dbraw/zinc/43/41/88/358434188.db2.gz AVIHPTATFYPTAY-OKILXGFUSA-N 0 0 318.398 2.439 10 30 DEEERN C=CCOCCCNC(=O)N1Cc2ccc(C(=O)OC)cc2C1 ZINC000595767376 358544321 /nfs/dbraw/zinc/54/43/21/358544321.db2.gz PLFNQNUFLOWBNQ-UHFFFAOYSA-N 0 0 318.373 2.091 10 30 DEEERN C=CCOCCOc1c(C(=O)OC)cncc1C(F)(F)F ZINC000596284012 358659376 /nfs/dbraw/zinc/65/93/76/358659376.db2.gz QICPLXWQVLZOFR-UHFFFAOYSA-N 0 0 305.252 2.468 10 30 DEEERN C[C@@]1(C#N)CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000596532167 358707713 /nfs/dbraw/zinc/70/77/13/358707713.db2.gz ZRTNTBXUVHXLOG-NSHDSACASA-N 0 0 311.139 2.492 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000596600227 358723053 /nfs/dbraw/zinc/72/30/53/358723053.db2.gz DAYIBINTBVDIKS-SECBINFHSA-N 0 0 306.278 2.381 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000596973014 358797078 /nfs/dbraw/zinc/79/70/78/358797078.db2.gz CGOKBXVSRLKYPX-FICVDOATSA-N 0 0 302.330 2.002 10 30 DEEERN C=CCSCCNC(=O)C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000597218212 358857960 /nfs/dbraw/zinc/85/79/60/358857960.db2.gz MGOFVCLGVAILKZ-AWEZNQCLSA-N 0 0 310.463 2.061 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000597473987 358927814 /nfs/dbraw/zinc/92/78/14/358927814.db2.gz ITBHNOYSWKPHIH-SMDDNHRTSA-N 0 0 319.361 2.243 10 30 DEEERN C=C[C@H](O)C(=O)N1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000597528153 358941922 /nfs/dbraw/zinc/94/19/22/358941922.db2.gz RWCYLLDBDOSPLT-RFGFWPKPSA-N 0 0 309.406 2.035 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000597586233 358955607 /nfs/dbraw/zinc/95/56/07/358955607.db2.gz ZNKWGRWZBMMMIG-SJORKVTESA-N 0 0 311.385 2.133 10 30 DEEERN C=CCC[C@H](NC(=O)Cc1ccncc1Cl)C(=O)OCC ZINC000597732899 358993213 /nfs/dbraw/zinc/99/32/13/358993213.db2.gz LSTLJGPGQWDBRJ-ZDUSSCGKSA-N 0 0 310.781 2.292 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(C2CC2)nc2onc(C)c21 ZINC000185827734 199892949 /nfs/dbraw/zinc/89/29/49/199892949.db2.gz NMZKGEOWVRCFCO-NSHDSACASA-N 0 0 301.346 2.075 10 30 DEEERN C=C[C@](C)(O)C(=O)N1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000598148749 359107453 /nfs/dbraw/zinc/10/74/53/359107453.db2.gz ZGABALOIOAPAFV-KRWDZBQOSA-N 0 0 311.422 2.284 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1c(C)nc(C2CC2)nc1SC ZINC000185858924 199896238 /nfs/dbraw/zinc/89/62/38/199896238.db2.gz BBNRXQWPWOPSOL-NSHDSACASA-N 0 0 307.419 2.051 10 30 DEEERN C=CCCSCCNC(=O)c1cnn(CC(F)(F)F)c1 ZINC000597966963 359054597 /nfs/dbraw/zinc/05/45/97/359054597.db2.gz HSXJXESLSJXWEM-UHFFFAOYSA-N 0 0 307.341 2.485 10 30 DEEERN C=CCOCCCNC(=O)c1[nH]c(C)c(C(=O)OCC)c1C ZINC000598210621 359123944 /nfs/dbraw/zinc/12/39/44/359123944.db2.gz ZDBMBLMOTSVPDN-UHFFFAOYSA-N 0 0 308.378 2.131 10 30 DEEERN CN1CCOC[C@@H]1CNc1ccc(Br)cc1C#N ZINC000599160404 359419671 /nfs/dbraw/zinc/41/96/71/359419671.db2.gz IBZJSTDIWSGWEV-LBPRGKRZSA-N 0 0 310.195 2.063 10 30 DEEERN C=CC(C)(C)CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000599117126 359406629 /nfs/dbraw/zinc/40/66/29/359406629.db2.gz NYXCITYEDKXEAM-UHFFFAOYSA-N 0 0 313.379 2.256 10 30 DEEERN C=CCN(CCC#N)S(=O)(=O)c1ccc(C)c(F)c1F ZINC000599319225 359461701 /nfs/dbraw/zinc/46/17/01/359461701.db2.gz LMYVMDHJXDSYEY-UHFFFAOYSA-N 0 0 300.330 2.364 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCCC[C@@H](SC)C1 ZINC000599496948 359511954 /nfs/dbraw/zinc/51/19/54/359511954.db2.gz MSGDVPVCDDVVTQ-CYBMUJFWSA-N 0 0 312.479 2.449 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000186588723 199978671 /nfs/dbraw/zinc/97/86/71/199978671.db2.gz YEHJQQQSKBHZEI-USXIJHARSA-N 0 0 318.417 2.391 10 30 DEEERN C=CCC[C@@H](O)CN1CCc2c(F)ccc(C(=O)OC)c2C1 ZINC000599550264 359522408 /nfs/dbraw/zinc/52/24/08/359522408.db2.gz ADOCAAXONHSHCC-GFCCVEGCSA-N 0 0 307.365 2.298 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000599373668 359481414 /nfs/dbraw/zinc/48/14/14/359481414.db2.gz AFRLCAGLWXUICU-LBPRGKRZSA-N 0 0 310.375 2.490 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccccc2C(=O)OCC)C1 ZINC000599373843 359481504 /nfs/dbraw/zinc/48/15/04/359481504.db2.gz DVFTZTWQBFWSHD-ZDUSSCGKSA-N 0 0 323.414 2.450 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)Cc2cccc(C(=O)OC)c2)C1 ZINC000599374953 359482669 /nfs/dbraw/zinc/48/26/69/359482669.db2.gz ONHHGSNMWBTICR-CYBMUJFWSA-N 0 0 323.414 2.201 10 30 DEEERN C=CCN(C)C(=O)Nc1ccc(O[C@@H](C)C(=O)OC)c(F)c1 ZINC000599869628 359614328 /nfs/dbraw/zinc/61/43/28/359614328.db2.gz CUJHVSOPWPDASB-JTQLQIEISA-N 0 0 310.325 2.416 10 30 DEEERN C=C[C@H](C)NC(=O)Nc1ccc(O[C@H](C)C(=O)OC)c(F)c1 ZINC000599870148 359614342 /nfs/dbraw/zinc/61/43/42/359614342.db2.gz NCKOHCYLDAJFBD-VHSXEESVSA-N 0 0 310.325 2.462 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](CC)CO ZINC000187972531 200184675 /nfs/dbraw/zinc/18/46/75/200184675.db2.gz RCNNHQVNGPBCSN-CQSZACIVSA-N 0 0 318.417 2.364 10 30 DEEERN C=C[C@](C)(CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000187911801 200175843 /nfs/dbraw/zinc/17/58/43/200175843.db2.gz DLXDJNWPDWRNHP-MAUKXSAKSA-N 0 0 302.418 2.404 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)OC ZINC000600435414 359741866 /nfs/dbraw/zinc/74/18/66/359741866.db2.gz KWXFJABZVDOWQA-DZGCQCFKSA-N 0 0 309.406 2.229 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CC[C@H](C(=O)OC)[C@H]2CCC[C@H]21 ZINC000600548279 359766222 /nfs/dbraw/zinc/76/62/22/359766222.db2.gz TYBHYHRSXWADGU-APIJFGDWSA-N 0 0 309.406 2.158 10 30 DEEERN C=CCNC(=O)[C@@H](C)SCc1ccc2oc(=O)n(C)c2c1 ZINC000601061697 359908220 /nfs/dbraw/zinc/90/82/20/359908220.db2.gz LZBUYPBTKRDPBH-SNVBAGLBSA-N 0 0 306.387 2.055 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H](C)c2ccc([S@@](C)=O)cc2)C1=O ZINC000601069061 359911497 /nfs/dbraw/zinc/91/14/97/359911497.db2.gz RHWDSHSFJCDXLR-PFJASWINSA-N 0 0 320.414 2.372 10 30 DEEERN C=CCn1c(SCCN(C#N)CC)nnc1-c1ccncc1 ZINC000601071265 359913200 /nfs/dbraw/zinc/91/32/00/359913200.db2.gz ZNROVDLBVGKTPD-UHFFFAOYSA-N 0 0 314.418 2.421 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cncc(Cl)c2C)C1 ZINC000627733024 366603542 /nfs/dbraw/zinc/60/35/42/366603542.db2.gz JKZMRKJPTMXGQP-NSHDSACASA-N 0 0 307.781 2.407 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000627734420 366604523 /nfs/dbraw/zinc/60/45/23/366604523.db2.gz SJKSTHUIWHXZSH-ZDUSSCGKSA-N 0 0 324.384 2.440 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cnccc2SC)C1 ZINC000627734392 366604729 /nfs/dbraw/zinc/60/47/29/366604729.db2.gz RMPDDEOMEAKLDN-NSHDSACASA-N 0 0 305.403 2.167 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cccc(-n3ccnc3)c2)C1 ZINC000627735448 366604770 /nfs/dbraw/zinc/60/47/70/366604770.db2.gz TZRCEDOTDMNXEI-AWEZNQCLSA-N 0 0 324.384 2.235 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(Br)ncc1Cl ZINC000188998669 200333205 /nfs/dbraw/zinc/33/32/05/200333205.db2.gz VHZFTOBBCGBGEJ-SSDOTTSWSA-N 0 0 319.586 2.164 10 30 DEEERN C=C(C)C[C@@H](NS(=O)(=O)c1cc(C)sc1C)C(=O)OC ZINC000601502335 360055569 /nfs/dbraw/zinc/05/55/69/360055569.db2.gz NUVIMYOHNUEYJW-LLVKDONJSA-N 0 0 317.432 2.151 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601612696 360088312 /nfs/dbraw/zinc/08/83/12/360088312.db2.gz MVQOGHZIHOFPCQ-CABCVRRESA-N 0 0 316.357 2.476 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)C(=O)OC ZINC000601770762 360140374 /nfs/dbraw/zinc/14/03/74/360140374.db2.gz DUPHARZDZXVUMD-FZMZJTMJSA-N 0 0 309.337 2.217 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCc1cccc(OC)c1F)C(=O)OC ZINC000601781787 360145622 /nfs/dbraw/zinc/14/56/22/360145622.db2.gz LPYIPMREPJTYDA-CYBMUJFWSA-N 0 0 323.364 2.391 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H]1CCc2cccc(OC)c21)C(=O)OC ZINC000601780886 360145733 /nfs/dbraw/zinc/14/57/33/360145733.db2.gz DVOFGTPJHVEDHE-UONOGXRCSA-N 0 0 317.385 2.349 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCOc1cccc(OC)c1)C(=O)OC ZINC000601781638 360145791 /nfs/dbraw/zinc/14/57/91/360145791.db2.gz KEFJIRLEJKZTEU-HNNXBMFYSA-N 0 0 321.373 2.088 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1CCc2cccc(O)c21)C(=O)OC ZINC000601782010 360146751 /nfs/dbraw/zinc/14/67/51/360146751.db2.gz NHRLRBHJVAVEHS-CHWSQXEVSA-N 0 0 303.358 2.046 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H]1CCN(C)c2ccccc21)C(=O)OC ZINC000601783327 360147674 /nfs/dbraw/zinc/14/76/74/360147674.db2.gz VSAZWZQZSSYIFW-GJZGRUSLSA-N 0 0 316.401 2.234 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1OC)C(=O)OC ZINC000601784740 360147822 /nfs/dbraw/zinc/14/78/22/360147822.db2.gz LZQFAIVWHVBDIT-RRFJBIMHSA-N 0 0 317.385 2.423 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(=O)OC ZINC000601785054 360148400 /nfs/dbraw/zinc/14/84/00/360148400.db2.gz OZVZKKGRCYLNGE-ZDUSSCGKSA-N 0 0 320.345 2.449 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cccc(OC(C)(C)C)n1)C(=O)OC ZINC000601786345 360149619 /nfs/dbraw/zinc/14/96/19/360149619.db2.gz FMMWPVTTYPCTPH-CYBMUJFWSA-N 0 0 320.389 2.497 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cccc(OC(C)C)n1)C(=O)OC ZINC000601788769 360151496 /nfs/dbraw/zinc/15/14/96/360151496.db2.gz YMHSTUHPCBWDFV-CYBMUJFWSA-N 0 0 306.362 2.106 10 30 DEEERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000601806484 360155908 /nfs/dbraw/zinc/15/59/08/360155908.db2.gz FLSUSBOKDGQNFY-ZOBUZTSGSA-N 0 0 311.385 2.115 10 30 DEEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC000601871268 360179284 /nfs/dbraw/zinc/17/92/84/360179284.db2.gz NIPRNNTWWZDZDA-GXTWGEPZSA-N 0 0 311.393 2.373 10 30 DEEERN C=CCn1cc(C(=O)N[C@H]2C[C@H](OC(C)(C)C)C23CCC3)nn1 ZINC000619108378 363708269 /nfs/dbraw/zinc/70/82/69/363708269.db2.gz OWODFRYZLNBCEU-KBPBESRZSA-N 0 0 318.421 2.320 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCC1(SCC)CC1 ZINC000602295103 360332666 /nfs/dbraw/zinc/33/26/66/360332666.db2.gz ZPDRNRFVUBTVGN-UHFFFAOYSA-N 0 0 312.479 2.497 10 30 DEEERN C=CCCCCCNC(=O)N1CCO[C@](C)(C(=O)OCC)C1 ZINC000602332257 360342668 /nfs/dbraw/zinc/34/26/68/360342668.db2.gz LWEFJBPNWAYTBV-INIZCTEOSA-N 0 0 312.410 2.096 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ncccc1C(F)(F)F)C(=O)OC ZINC000602416337 360362317 /nfs/dbraw/zinc/36/23/17/360362317.db2.gz WYCJHZUVBOTHGT-SNVBAGLBSA-N 0 0 316.279 2.338 10 30 DEEERN C=C(C)C[C@H](NC1CCN(c2nccs2)CC1)C(=O)OC ZINC000602735373 360527033 /nfs/dbraw/zinc/52/70/33/360527033.db2.gz WFNRKYMRCZCSEJ-ZDUSSCGKSA-N 0 0 309.435 2.209 10 30 DEEERN C=CCOc1ccccc1C(=O)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000603106739 360703706 /nfs/dbraw/zinc/70/37/06/360703706.db2.gz SHTSOTVROSXZJB-HUUCEWRRSA-N 0 0 313.401 2.310 10 30 DEEERN C=C[C@@H](C(=O)OC)n1cc(-c2ccc(OC(C)C)nc2)nn1 ZINC000603237481 360760308 /nfs/dbraw/zinc/76/03/08/360760308.db2.gz SQHMVXMHUVJSPE-ZDUSSCGKSA-N 0 0 302.334 2.027 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)NC(=O)CC ZINC000604486905 360910892 /nfs/dbraw/zinc/91/08/92/360910892.db2.gz PONWNUCPEQGMGH-GFCCVEGCSA-N 0 0 319.361 2.024 10 30 DEEERN C=CCCCN(C)C(=O)CCn1cc(Br)cn1 ZINC000605645455 360985533 /nfs/dbraw/zinc/98/55/33/360985533.db2.gz BIQWDMJMFMJWTL-UHFFFAOYSA-N 0 0 300.200 2.460 10 30 DEEERN N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC(CO)C1 ZINC000192180494 200831479 /nfs/dbraw/zinc/83/14/79/200831479.db2.gz SHFNEQJKGOUYGH-UHFFFAOYSA-N 0 0 305.284 2.136 10 30 DEEERN CC(C)C[C@H](C#N)NC(=O)CCc1nc2ccccc2oc1=O ZINC000608822705 361270238 /nfs/dbraw/zinc/27/02/38/361270238.db2.gz HUVBCHDDXVLAQT-GFCCVEGCSA-N 0 0 313.357 2.175 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NC[C@H]1C[C@@H](OC)C1 ZINC000628075497 366711576 /nfs/dbraw/zinc/71/15/76/366711576.db2.gz RSGOTTZRHXYKST-OTVXOJSOSA-N 0 0 316.401 2.285 10 30 DEEERN C=CCC1(NC(=O)c2ccn(C3CCOCC3)n2)CCOCC1 ZINC000628079739 366714216 /nfs/dbraw/zinc/71/42/16/366714216.db2.gz BKYQASXOHGCCSJ-UHFFFAOYSA-N 0 0 319.405 2.090 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)Cc1cn[nH]c1 ZINC000609624581 361329917 /nfs/dbraw/zinc/32/99/17/361329917.db2.gz OQWQLEQFBOLIDA-MRXNPFEDSA-N 0 0 312.373 2.343 10 30 DEEERN CCOC(=O)CCN(C(=O)Cc1cccc(C#N)c1)C1CC1 ZINC000610520580 361415130 /nfs/dbraw/zinc/41/51/30/361415130.db2.gz GCVCUPCLRMGCBO-UHFFFAOYSA-N 0 0 300.358 2.045 10 30 DEEERN CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2ccnc(C#N)c2)C1 ZINC000193830944 201131295 /nfs/dbraw/zinc/13/12/95/201131295.db2.gz UVSQPOGNDGIIPN-CYBMUJFWSA-N 0 0 315.373 2.147 10 30 DEEERN C=CC(C)(C)CCNC(=O)CNC(=O)Cc1cccc(F)c1 ZINC000628317289 366807384 /nfs/dbraw/zinc/80/73/84/366807384.db2.gz CUIIQZLXHKGRRO-UHFFFAOYSA-N 0 0 306.381 2.203 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000628317214 366808114 /nfs/dbraw/zinc/80/81/14/366808114.db2.gz AFXDNVCNTRLYLE-CYBMUJFWSA-N 0 0 304.390 2.347 10 30 DEEERN COC(=O)CC1(NC(=O)c2c(F)cc(C#N)cc2F)CCCC1 ZINC000193916986 201145352 /nfs/dbraw/zinc/14/53/52/201145352.db2.gz VTKXZBCNUOKGAO-UHFFFAOYSA-N 0 0 322.311 2.442 10 30 DEEERN C=C(C)[C@H](CC(=O)NC[C@@H](n1cccn1)C(F)(F)F)OCC ZINC000628331517 366815584 /nfs/dbraw/zinc/81/55/84/366815584.db2.gz PBHPDZNOOQJJIO-NWDGAFQWSA-N 0 0 319.327 2.474 10 30 DEEERN Cc1cccc(S(=O)(=O)NC[C@H](C)c2ccncc2)c1C#N ZINC000611025354 361514936 /nfs/dbraw/zinc/51/49/36/361514936.db2.gz PZTMDJMMAWUHDV-ZDUSSCGKSA-N 0 0 315.398 2.344 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](CO)CC1CC1 ZINC000611295626 361574370 /nfs/dbraw/zinc/57/43/70/361574370.db2.gz GETRECACOLCYPN-WBVHZDCISA-N 0 0 316.401 2.239 10 30 DEEERN CCOC1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000611538489 361626147 /nfs/dbraw/zinc/62/61/47/361626147.db2.gz QMEXMPZTBDRGNT-QGZVFWFLSA-N 0 0 324.421 2.276 10 30 DEEERN CC(C)(C)C(=O)N1CCC[C@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000611561149 361632560 /nfs/dbraw/zinc/63/25/60/361632560.db2.gz VPLIINVRVNUGHM-ZDUSSCGKSA-N 0 0 305.422 2.176 10 30 DEEERN Cc1ncn(Cc2ccccc2C#N)c(=O)c1Br ZINC000090766552 192930927 /nfs/dbraw/zinc/93/09/27/192930927.db2.gz IHXUCMXVINKRJE-UHFFFAOYSA-N 0 0 304.147 2.234 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[C@H](C)O[C@H]1C ZINC000611971210 361715702 /nfs/dbraw/zinc/71/57/02/361715702.db2.gz KKBJFFXAHROVDO-QMHWVQJVSA-N 0 0 322.449 2.167 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)C[C@H](C)OC ZINC000195065012 201332690 /nfs/dbraw/zinc/33/26/90/201332690.db2.gz SHCPMUDHXJQPOZ-JTQLQIEISA-N 0 0 315.347 2.067 10 30 DEEERN CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NCC1CCC(C#N)CC1 ZINC000619660060 363850231 /nfs/dbraw/zinc/85/02/31/363850231.db2.gz GVYIFTXWOBFFLM-NRXISQOPSA-N 0 0 319.449 2.470 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000619969074 363922696 /nfs/dbraw/zinc/92/26/96/363922696.db2.gz UGZZWXWZISPVIR-INMHGKMJSA-N 0 0 306.450 2.348 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12 ZINC000620302159 364012595 /nfs/dbraw/zinc/01/25/95/364012595.db2.gz SUWVNSRSXUSTHJ-NPJQDHAYSA-N 0 0 302.418 2.391 10 30 DEEERN CCS(=O)(=O)[C@@H]1CSCCN1CCCC(C)(C)C#N ZINC000090926895 192950598 /nfs/dbraw/zinc/95/05/98/192950598.db2.gz COIMGTRVHQPTSO-GFCCVEGCSA-N 0 0 304.481 2.126 10 30 DEEERN C=C(C)CN(CC)C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621563686 364455098 /nfs/dbraw/zinc/45/50/98/364455098.db2.gz MHJHSOFYSIKSFW-HNNXBMFYSA-N 0 0 322.430 2.264 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)NCC[C@H]2CC2(F)F)c1 ZINC000621631829 364481110 /nfs/dbraw/zinc/48/11/10/364481110.db2.gz KKFMLNHMCDRKMG-NSHDSACASA-N 0 0 324.327 2.351 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CCc2nc(-c3ccncc3)no2)C1 ZINC000628484097 366863696 /nfs/dbraw/zinc/86/36/96/366863696.db2.gz DMSXUFARPITDHF-CYBMUJFWSA-N 0 0 312.373 2.489 10 30 DEEERN C=CC[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000628485174 366863856 /nfs/dbraw/zinc/86/38/56/366863856.db2.gz DOJVHQVHUHLCTF-UONOGXRCSA-N 0 0 302.374 2.053 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cn(Cc3cccs3)nn2)C1 ZINC000628489322 366865119 /nfs/dbraw/zinc/86/51/19/366865119.db2.gz UCTOWCALLFAPFG-LBPRGKRZSA-N 0 0 302.403 2.426 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C1 ZINC000628487927 366865391 /nfs/dbraw/zinc/86/53/91/366865391.db2.gz OJCKYJYBGXPCFM-ZDUSSCGKSA-N 0 0 324.384 2.009 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CSc2nnc3ccccn32)C1 ZINC000628489961 366865418 /nfs/dbraw/zinc/86/54/18/366865418.db2.gz LQGZYWRTDAAJII-GFCCVEGCSA-N 0 0 302.403 2.246 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1cc(O)cc(C(F)(F)F)c1 ZINC000621942743 364602420 /nfs/dbraw/zinc/60/24/20/364602420.db2.gz FJFXZASXDFWAKE-VIFPVBQESA-N 0 0 303.280 2.325 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)c1nc2ccccc2o1 ZINC000622776830 364794179 /nfs/dbraw/zinc/79/41/79/364794179.db2.gz RWZQZQGNGUETMD-CYBMUJFWSA-N 0 0 301.346 2.262 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2ccc3c(c2)N(C)C(=O)CO3)C1 ZINC000628494273 366867095 /nfs/dbraw/zinc/86/70/95/366867095.db2.gz JTBXXZIGEYHNSM-LBPRGKRZSA-N 0 0 300.358 2.080 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000623340020 364992124 /nfs/dbraw/zinc/99/21/24/364992124.db2.gz TWRNYKLZWXNTJP-ZIAGYGMSSA-N 0 0 302.374 2.434 10 30 DEEERN C=CCNC(=O)N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000623337728 364992323 /nfs/dbraw/zinc/99/23/23/364992323.db2.gz VLCLLUNGDLXEKH-UHFFFAOYSA-N 0 0 304.394 2.487 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](OCC)[C@]23CCCO3)C1 ZINC000623886053 365210294 /nfs/dbraw/zinc/21/02/94/365210294.db2.gz PWEGHBSAGMREMC-ANQUJSFKSA-N 0 0 308.422 2.321 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCO[C@H](c3nccn3C)C2)C1 ZINC000624182148 365323064 /nfs/dbraw/zinc/32/30/64/365323064.db2.gz SDFHVPMCRJHZGM-ILXRZTDVSA-N 0 0 318.421 2.248 10 30 DEEERN C=CCOCCCNC(=O)N1CCOc2cc(F)ccc2C1 ZINC000624370008 365398377 /nfs/dbraw/zinc/39/83/77/365398377.db2.gz ZAZWTZBACQLUMY-UHFFFAOYSA-N 0 0 308.353 2.322 10 30 DEEERN C=CCOCCCNC(=O)NC[C@]1(C)COc2ccccc2O1 ZINC000624368252 365399202 /nfs/dbraw/zinc/39/92/02/365399202.db2.gz JHRCXPMOPSUDIU-QGZVFWFLSA-N 0 0 320.389 2.108 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000624306901 365375532 /nfs/dbraw/zinc/37/55/32/365375532.db2.gz STEAMOCSYFXPGP-WCVJEAGWSA-N 0 0 309.454 2.092 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CC(=O)N(CCC(F)(F)F)C1 ZINC000624463083 365429782 /nfs/dbraw/zinc/42/97/82/365429782.db2.gz RHUWKVBHDAPBJV-UHFFFAOYSA-N 0 0 321.343 2.352 10 30 DEEERN C=CCNC(=O)c1ccc(N2CC[C@H]3CC[C@@H](C2)S3)nc1 ZINC000624523438 365459938 /nfs/dbraw/zinc/45/99/38/365459938.db2.gz UGRZVAUXGIWDFQ-KGLIPLIRSA-N 0 0 303.431 2.472 10 30 DEEERN Cn1c(C#N)ccc1C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000449918398 241251389 /nfs/dbraw/zinc/25/13/89/241251389.db2.gz IGPZFXJVULNDNL-OAHLLOKOSA-N 0 0 311.341 2.317 10 30 DEEERN C[C@H](O)C[C@@H](CNC(=O)c1ccc(C#N)n1C)c1ccccc1 ZINC000450118631 241456243 /nfs/dbraw/zinc/45/62/43/241456243.db2.gz WCTSWESTGKCKNN-ZFWWWQNUSA-N 0 0 311.385 2.181 10 30 DEEERN C=CCC(C)(C)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000629434272 367198528 /nfs/dbraw/zinc/19/85/28/367198528.db2.gz WITMRFTYMDMNFA-MRXNPFEDSA-N 0 0 317.433 2.001 10 30 DEEERN C[C@H](NC(=O)c1ccc(C#N)n1C)c1ccc([S@@](C)=O)cc1 ZINC000450242148 241596721 /nfs/dbraw/zinc/59/67/21/241596721.db2.gz KTHUZPXQZYFFIQ-KPWVOAKYSA-N 0 0 315.398 2.125 10 30 DEEERN C=C[C@@](C)(O)CC(=O)Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C ZINC000629515844 367231704 /nfs/dbraw/zinc/23/17/04/367231704.db2.gz VNLYFOLTQIENFO-APPDUMDISA-N 0 0 302.374 2.422 10 30 DEEERN C=CCNC(=O)Cn1cc(-c2ccccc2OCCC)nn1 ZINC000630049304 367455561 /nfs/dbraw/zinc/45/55/61/367455561.db2.gz BTOAJSNCXYCASM-UHFFFAOYSA-N 0 0 300.362 2.036 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cccc([C@H]3CCC(=O)N3)c2)C1=O ZINC000630522159 367704092 /nfs/dbraw/zinc/70/40/92/367704092.db2.gz NSSGZQFAKVJSKN-KGLIPLIRSA-N 0 0 313.357 2.029 10 30 DEEERN C=C1CC(C)(C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)C1 ZINC000630500159 367690852 /nfs/dbraw/zinc/69/08/52/367690852.db2.gz HMERVTBSWNRCAQ-UHFFFAOYSA-N 0 0 308.403 2.198 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2ccc(O[C@@H]3CCOC3)cc2)C1=O ZINC000630505299 367694984 /nfs/dbraw/zinc/69/49/84/367694984.db2.gz GFRPYQWQXHVTNT-CABCVRRESA-N 0 0 316.357 2.245 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCc2cc(C)ccc2OC)C1=O ZINC000630965768 367940501 /nfs/dbraw/zinc/94/05/01/367940501.db2.gz UQLUGSQFKQWXGE-AWEZNQCLSA-N 0 0 302.374 2.433 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@H]2CCOc3ccccc32)C1=O ZINC000630972708 367943991 /nfs/dbraw/zinc/94/39/91/367943991.db2.gz NFGMBJSGZSTBPQ-TZMCWYRMSA-N 0 0 300.358 2.439 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCCN2CCc3ccccc32)C1=O ZINC000630970885 367944100 /nfs/dbraw/zinc/94/41/00/367944100.db2.gz PSLRSTHHDDNLFF-OAHLLOKOSA-N 0 0 313.401 2.326 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCc2ccc3c(c2)CCO3)C1=O ZINC000630971783 367944118 /nfs/dbraw/zinc/94/41/18/367944118.db2.gz CVOHJJLUJHGNIN-AWEZNQCLSA-N 0 0 300.358 2.051 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@H](C)Oc2ccc(F)cc2)C1=O ZINC000630973866 367945553 /nfs/dbraw/zinc/94/55/53/367945553.db2.gz GBYIAICWQHYAGY-SMDDNHRTSA-N 0 0 306.337 2.480 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@H](C)Oc2cccc(OC)c2)C1=O ZINC000630977700 367947967 /nfs/dbraw/zinc/94/79/67/367947967.db2.gz WPBFGMFPZNLAEB-SWLSCSKDSA-N 0 0 318.373 2.349 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2COc3c(C)cccc3C2)C1=O ZINC000630982694 367949324 /nfs/dbraw/zinc/94/93/24/367949324.db2.gz OLNHWQCPKRZILX-UONOGXRCSA-N 0 0 300.358 2.185 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H](OC)c2cccc(OC)c2)C1=O ZINC000630985881 367952077 /nfs/dbraw/zinc/95/20/77/367952077.db2.gz LLCALJRYBKROKT-LSDHHAIUSA-N 0 0 318.373 2.269 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2cccc3c2CCOC3)C1=O ZINC000630995178 367958201 /nfs/dbraw/zinc/95/82/01/367958201.db2.gz ZWGSBFJRRFZLJF-OAHLLOKOSA-N 0 0 300.358 2.146 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H](C)c2ccc3[nH]c(=O)oc3c2)C1=O ZINC000630996954 367959730 /nfs/dbraw/zinc/95/97/30/367959730.db2.gz YHADIAPSKRKSOZ-CABZTGNLSA-N 0 0 315.329 2.481 10 30 DEEERN C=CC[C@@H](C)NC(=O)Cc1nnc(-c2ccccc2OC)o1 ZINC000631343487 368163985 /nfs/dbraw/zinc/16/39/85/368163985.db2.gz DNIQERLBSNAEFK-LLVKDONJSA-N 0 0 301.346 2.369 10 30 DEEERN CC(C)(C[C@H]1CCCN(C(=O)c2sccc2C#N)C1)C(N)=O ZINC000452448362 244306701 /nfs/dbraw/zinc/30/67/01/244306701.db2.gz GPFXHNCYSYFTJX-LLVKDONJSA-N 0 0 319.430 2.374 10 30 DEEERN Cn1ncc(C#N)c1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000093334955 193233386 /nfs/dbraw/zinc/23/33/86/193233386.db2.gz XXVPEFLVKBZLIO-UHFFFAOYSA-N 0 0 305.681 2.106 10 30 DEEERN CC[C@](C)(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)OC ZINC000452743463 244575525 /nfs/dbraw/zinc/57/55/25/244575525.db2.gz UIXHYTCIMURXHN-HZPDHXFCSA-N 0 0 312.410 2.179 10 30 DEEERN N#Cc1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000093534381 193265945 /nfs/dbraw/zinc/26/59/45/193265945.db2.gz IMKMCAJWIALGLV-LLVKDONJSA-N 0 0 313.317 2.141 10 30 DEEERN Cc1cc(C(=O)Nc2cnn(C(C)C)c2)sc1C#CCO ZINC000094535261 193377489 /nfs/dbraw/zinc/37/74/89/193377489.db2.gz XJNOVNKUMYOAPT-UHFFFAOYSA-N 0 0 303.387 2.430 10 30 DEEERN C=C(C)CCNC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000453881349 245339781 /nfs/dbraw/zinc/33/97/81/245339781.db2.gz QHYYTETYMDOXFD-JTQLQIEISA-N 0 0 307.419 2.289 10 30 DEEERN C=CCOc1ccc(OC(=O)[C@@H]2CSCN2C(=O)CC)cc1 ZINC000266288764 205240126 /nfs/dbraw/zinc/24/01/26/205240126.db2.gz DUYUPZHDGVTTLS-AWEZNQCLSA-N 0 0 321.398 2.468 10 30 DEEERN CC(=NNc1cn[nH]c(=O)c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000018889061 182102556 /nfs/dbraw/zinc/10/25/56/182102556.db2.gz JCPAYPWFRAMGEC-VIZOYTHASA-N 0 0 307.697 2.168 10 30 DEEERN C=CCC1(CNC(=O)Nc2ccc(C(N)=O)nc2)CCCC1 ZINC000454978265 246302830 /nfs/dbraw/zinc/30/28/30/246302830.db2.gz OXLYSKKEKWIIKL-UHFFFAOYSA-N 0 0 302.378 2.439 10 30 DEEERN COc1cc(C#N)ccc1N[C@H](C)C(=O)NCC(F)(F)F ZINC000159855730 197368862 /nfs/dbraw/zinc/36/88/62/197368862.db2.gz UNPBAXGEFFWAHU-MRVPVSSYSA-N 0 0 301.268 2.046 10 30 DEEERN C=CCC[C@@H](NC(=O)[C@H](C)c1ncccc1F)C(=O)OCC ZINC000456599788 247301439 /nfs/dbraw/zinc/30/14/39/247301439.db2.gz CRCPBKWNJWWILR-DGCLKSJQSA-N 0 0 308.353 2.338 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CCC[C@@]2(CCOC2)C1 ZINC000456697646 247366054 /nfs/dbraw/zinc/36/60/54/247366054.db2.gz QSRICQGRAZFILG-QGZVFWFLSA-N 0 0 302.374 2.289 10 30 DEEERN C=CCC[C@H](CO)NC(=O)Cc1sccc1Br ZINC000456767043 247408150 /nfs/dbraw/zinc/40/81/50/247408150.db2.gz LVGRWRKYDIRVKT-SECBINFHSA-N 0 0 318.236 2.496 10 30 DEEERN C[C@@H](NS(=O)(=O)Cc1ccccc1C#N)c1cccnc1 ZINC000035124583 182755435 /nfs/dbraw/zinc/75/54/35/182755435.db2.gz LOTFHZILRMWXDF-GFCCVEGCSA-N 0 0 301.371 2.134 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000457583080 247889979 /nfs/dbraw/zinc/88/99/79/247889979.db2.gz VMYCYNYVXIIHRF-DGCLKSJQSA-N 0 0 306.362 2.103 10 30 DEEERN C=C(C)COCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000458552766 248370537 /nfs/dbraw/zinc/37/05/37/248370537.db2.gz CQSLMOKHJPHERF-OAGGEKHMSA-N 0 0 310.438 2.304 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCOC1(C)C ZINC000458945090 248557971 /nfs/dbraw/zinc/55/79/71/248557971.db2.gz CKUMVUNMOGPNNA-HNNXBMFYSA-N 0 0 322.405 2.427 10 30 DEEERN C=C(C)Cn1c(CCCNC(=O)COC)nc2ccccc21 ZINC000040204579 183045805 /nfs/dbraw/zinc/04/58/05/183045805.db2.gz UPHPXBZKCZZXHJ-UHFFFAOYSA-N 0 0 301.390 2.308 10 30 DEEERN Cc1cc(C)cc(Nc2ncnc(N(CC#N)CC#N)c2N)c1 ZINC000040681871 183117095 /nfs/dbraw/zinc/11/70/95/183117095.db2.gz QHRGQTNVHNRXKM-UHFFFAOYSA-N 0 0 307.361 2.273 10 30 DEEERN C=C(Br)COc1ccc(C[C@@H](N)C(=O)OC)cc1 ZINC000041041645 183159260 /nfs/dbraw/zinc/15/92/60/183159260.db2.gz OXVGHCARTALHSX-GFCCVEGCSA-N 0 0 314.179 2.017 10 30 DEEERN CCOc1ccc([C@@H](C#N)N2CCN(C(=O)C(C)C)CC2)cc1 ZINC000041261180 183181870 /nfs/dbraw/zinc/18/18/70/183181870.db2.gz YEOOZVBERWIJIH-QGZVFWFLSA-N 0 0 315.417 2.450 10 30 DEEERN N#Cc1ccccc1CS(=O)(=O)N(CC(F)(F)F)C1CC1 ZINC000042302336 183252368 /nfs/dbraw/zinc/25/23/68/183252368.db2.gz JWCUFILZDHXTMY-UHFFFAOYSA-N 0 0 318.320 2.415 10 30 DEEERN C[C@@H](CN(C)C(=O)c1cc(Cl)ccc1Cl)/C(N)=N/O ZINC000042459103 183272600 /nfs/dbraw/zinc/27/26/00/183272600.db2.gz CBQDOIAHXPZFBO-ZETCQYMHSA-N 0 0 304.177 2.448 10 30 DEEERN Cc1nn(-c2ccc(C#N)cc2)c(N)c1I ZINC000043665005 183377789 /nfs/dbraw/zinc/37/77/89/183377789.db2.gz WRIWUJASBQRGJX-UHFFFAOYSA-N 0 0 324.125 2.239 10 30 DEEERN CC[C@@H](C)[C@@H](C)NS(=O)(=O)c1ccc(C#CCO)c(C)c1 ZINC000049106063 183713413 /nfs/dbraw/zinc/71/34/13/183713413.db2.gz RTKPCLVVHINSIO-TZMCWYRMSA-N 0 0 309.431 2.052 10 30 DEEERN CN(Cc1ccc(C#CCO)cc1)C(=O)c1cc(Cl)c[nH]1 ZINC000049588251 183744788 /nfs/dbraw/zinc/74/47/88/183744788.db2.gz OFAKZXYCYSLTAN-UHFFFAOYSA-N 0 0 302.761 2.284 10 30 DEEERN Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1C#CC[NH3+] ZINC000109436240 194262700 /nfs/dbraw/zinc/26/27/00/194262700.db2.gz BJPDWMKLHUZLDB-UHFFFAOYSA-N 0 0 306.412 2.168 10 30 DEEERN CN(C(=O)CNC(=O)Cc1cccc(C#N)c1)C1CCCCC1 ZINC000532307889 269682301 /nfs/dbraw/zinc/68/23/01/269682301.db2.gz IZZHDXNCZNYQKM-UHFFFAOYSA-N 0 0 313.401 2.008 10 30 DEEERN CCN(CC)C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000054874875 183953952 /nfs/dbraw/zinc/95/39/52/183953952.db2.gz OCNPISKNBYMZSB-UHFFFAOYSA-N 0 0 303.362 2.152 10 30 DEEERN CN(C)c1ccc(CN=Nc2nc3ccccc3[nH]c2=O)cc1 ZINC000059858069 184141960 /nfs/dbraw/zinc/14/19/60/184141960.db2.gz QLDHHBVDMXXHFR-WOJGMQOQSA-N 0 0 307.357 2.435 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)C(=O)NCCc1ccsc1 ZINC000060616136 184153005 /nfs/dbraw/zinc/15/30/05/184153005.db2.gz ZOJKHTFGIUAJJC-UHFFFAOYSA-N 0 0 313.382 2.226 10 30 DEEERN COc1cc(CC(=O)NC2(C#N)CCCC2)cc(OC)c1OC ZINC000060852430 184156911 /nfs/dbraw/zinc/15/69/11/184156911.db2.gz GUCCXVAVBOYRGI-UHFFFAOYSA-N 0 0 318.373 2.207 10 30 DEEERN O=C(Cc1ccccn1)Nc1cc(C#CCO)ccc1Cl ZINC000061691534 184182974 /nfs/dbraw/zinc/18/29/74/184182974.db2.gz RKZZUFOTKGYITM-UHFFFAOYSA-N 0 0 300.745 2.260 10 30 DEEERN CN(c1cccc(C#N)c1)S(=O)(=O)c1ccc(F)cc1N ZINC000061979716 184199787 /nfs/dbraw/zinc/19/97/87/184199787.db2.gz VDYDQMHOCMHGOI-UHFFFAOYSA-N 0 0 305.334 2.105 10 30 DEEERN C=CCNC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000062062041 184203906 /nfs/dbraw/zinc/20/39/06/184203906.db2.gz QMRWSDBUDWOFCO-UHFFFAOYSA-N 0 0 309.431 2.450 10 30 DEEERN CN[C@@](C)(C#N)CCCSc1ccc(S(C)(=O)=O)cc1 ZINC000063131791 184272217 /nfs/dbraw/zinc/27/22/17/184272217.db2.gz JYKILWRKYBFSLE-CQSZACIVSA-N 0 0 312.460 2.464 10 30 DEEERN C=CCN(CC=C)C(=O)CNc1cccc(C(=O)NCC)c1 ZINC000066092669 184388491 /nfs/dbraw/zinc/38/84/91/184388491.db2.gz ZBJQXVMEQZTRGQ-UHFFFAOYSA-N 0 0 301.390 2.049 10 30 DEEERN C=CCN(CC=C)CC(=O)Nc1ccc(N(C)C(C)=O)cc1 ZINC000066215704 184397123 /nfs/dbraw/zinc/39/71/23/184397123.db2.gz ZSGUBAAWKATKPU-UHFFFAOYSA-N 0 0 301.390 2.282 10 30 DEEERN Cc1nnc([C@@H]2CCCN(C(=O)c3ccc(C#N)cc3C)C2)[nH]1 ZINC000269599226 207663868 /nfs/dbraw/zinc/66/38/68/207663868.db2.gz HSANFVDUGGANSG-CQSZACIVSA-N 0 0 309.373 2.313 10 30 DEEERN C=C(C)[C@@H](CC(=O)NC[C@@H](O)c1ccccc1OC)OCC ZINC000270174514 208238234 /nfs/dbraw/zinc/23/82/34/208238234.db2.gz DGDHWVXJCRTMJW-GDBMZVCRSA-N 0 0 307.390 2.216 10 30 DEEERN N#Cc1cc(C(F)(F)F)ccc1NC(=O)c1nnc(N)s1 ZINC000158487985 197277630 /nfs/dbraw/zinc/27/76/30/197277630.db2.gz LFTSXZLCCMZFLS-UHFFFAOYSA-N 0 0 313.264 2.263 10 30 DEEERN Cc1ccc(NC(=O)NCC(F)(F)F)c(C#CCCO)c1 ZINC000158092938 197242698 /nfs/dbraw/zinc/24/26/98/197242698.db2.gz LRYYGKYLARVCTG-UHFFFAOYSA-N 0 0 300.280 2.413 10 30 DEEERN CC[C@H]1CN(C(=O)c2ccc(F)cc2C#CCO)CCS1 ZINC000157973742 197232144 /nfs/dbraw/zinc/23/21/44/197232144.db2.gz VHSUFPZBXWPXGO-AWEZNQCLSA-N 0 0 307.390 2.137 10 30 DEEERN CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@@H](C)CO)cc1C#N ZINC000157880120 197223452 /nfs/dbraw/zinc/22/34/52/197223452.db2.gz VDNDXNHAUNETBR-NWDGAFQWSA-N 0 0 305.378 2.484 10 30 DEEERN C=CCn1ncc(N[C@@H](C)CCOC)c(Br)c1=O ZINC000157737539 197211876 /nfs/dbraw/zinc/21/18/76/197211876.db2.gz MEOZAUJRWRICLS-VIFPVBQESA-N 0 0 316.199 2.029 10 30 DEEERN C#CCn1ncc(N[C@H](CC)C(C)C)c(Br)c1=O ZINC000156847586 197144963 /nfs/dbraw/zinc/14/49/63/197144963.db2.gz VXAUYRCMDBBJHM-SNVBAGLBSA-N 0 0 312.211 2.486 10 30 DEEERN N#CCc1ccc(S(=O)(=O)NC[C@H]2CCCCS2)cc1 ZINC000156424340 197112930 /nfs/dbraw/zinc/11/29/30/197112930.db2.gz SNBLYQAOGDTMGH-CYBMUJFWSA-N 0 0 310.444 2.317 10 30 DEEERN O=C(NC[C@@H]1CCCS1)c1ccc(C#CCCO)c(F)c1 ZINC000155933399 197075559 /nfs/dbraw/zinc/07/55/59/197075559.db2.gz XVFAHRWTMPSMJZ-AWEZNQCLSA-N 0 0 307.390 2.185 10 30 DEEERN CO[C@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@@H]1Cc1cccnc1 ZINC000503717679 257208317 /nfs/dbraw/zinc/20/83/17/257208317.db2.gz URIJKPUHRWMJRA-MSOLQXFVSA-N 0 0 321.380 2.425 10 30 DEEERN N#C[C@@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)C1CC1 ZINC000108836058 224571435 /nfs/dbraw/zinc/57/14/35/224571435.db2.gz CHTATRUWVFNCDM-CQSZACIVSA-N 0 0 319.792 2.268 10 30 DEEERN COc1cc(C#N)ccc1CN1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000121592053 195312324 /nfs/dbraw/zinc/31/23/24/195312324.db2.gz GISNPHBLEBRLDB-IXDOHACOSA-N 0 0 316.401 2.335 10 30 DEEERN C#CCOc1ccc(C(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000121833652 195358262 /nfs/dbraw/zinc/35/82/62/195358262.db2.gz ALCKKPTUFZAVSM-UHFFFAOYSA-N 0 0 309.369 2.442 10 30 DEEERN COCc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)o1 ZINC000122074426 195396970 /nfs/dbraw/zinc/39/69/70/195396970.db2.gz SKDRDFPMVWIFDG-LBPRGKRZSA-N 0 0 314.345 2.234 10 30 DEEERN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H]1CC(C)(C)C ZINC000407974805 533396902 /nfs/dbraw/zinc/39/69/02/533396902.db2.gz GHWJXPCIGXBJFF-STQMWFEESA-N 0 0 301.456 2.366 10 30 DEEERN CCS(=O)(=O)Cc1noc(/C=C/c2cccc(C#N)c2)n1 ZINC000357520854 133082780 /nfs/dbraw/zinc/08/27/80/133082780.db2.gz YTDSJJDYTWKIKX-VOTSOKGWSA-N 0 0 303.343 2.046 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000359871150 133150194 /nfs/dbraw/zinc/15/01/94/133150194.db2.gz FMTPSQWXEOHRMJ-DYVFJYSZSA-N 0 0 300.358 2.145 10 30 DEEERN CCC(=O)N[C@@H]1CCCN(c2nc(C)c(C#N)cc2Cl)C1 ZINC000359877180 133150634 /nfs/dbraw/zinc/15/06/34/133150634.db2.gz LVCNFOLGGNZRJP-GFCCVEGCSA-N 0 0 306.797 2.410 10 30 DEEERN N#Cc1ccc(C2=CCN(c3nccn4cnnc34)CC2)cc1 ZINC000362486807 133233158 /nfs/dbraw/zinc/23/31/58/133233158.db2.gz LVMNWINKCCXGMN-UHFFFAOYSA-N 0 0 302.341 2.290 10 30 DEEERN CN(C)c1ncccc1O[C@H]1CCN(c2ccncc2C#N)C1 ZINC000376392397 133292756 /nfs/dbraw/zinc/29/27/56/133292756.db2.gz TXQYWIKZHOVLFD-AWEZNQCLSA-N 0 0 309.373 2.072 10 30 DEEERN CCCCCNC(=O)C1CCN(c2ccncc2C#N)CC1 ZINC000548154249 285695552 /nfs/dbraw/zinc/69/55/52/285695552.db2.gz ZTXDJQBJNUDLGS-UHFFFAOYSA-N 0 0 300.406 2.476 10 30 DEEERN N#Cc1cc(C(F)(F)F)ccc1N1CCN2CCOC[C@H]2C1 ZINC000371804435 404474028 /nfs/dbraw/zinc/47/40/28/404474028.db2.gz XJGYZCRUYGECMC-CYBMUJFWSA-N 0 0 311.307 2.098 10 30 DEEERN C[C@@H]1[C@H](C)SCCN1C(=O)NCCOc1ccc(C#N)cc1 ZINC000173792699 144849644 /nfs/dbraw/zinc/84/96/44/144849644.db2.gz YBZWSRSEKGBRHS-OLZOCXBDSA-N 0 0 319.430 2.472 10 30 DEEERN Cc1nccnc1[C@@H](C)Nc1cnn(-c2ncccc2C#N)c1 ZINC000188465656 145012750 /nfs/dbraw/zinc/01/27/50/145012750.db2.gz YHCXHYUZNKOSJV-GFCCVEGCSA-N 0 0 305.345 2.411 10 30 DEEERN N#Cc1c(F)cccc1C(=O)N1CCCN(c2ccccn2)CC1 ZINC000189097858 145022485 /nfs/dbraw/zinc/02/24/85/145022485.db2.gz YDCCIHZSKPSPMT-UHFFFAOYSA-N 0 0 324.359 2.445 10 30 DEEERN COc1cc(CO)c(OCc2ccc(C#N)c(F)c2)c(CO)c1 ZINC000190127839 145038076 /nfs/dbraw/zinc/03/80/76/145038076.db2.gz FCDKDGSOUZRYLI-UHFFFAOYSA-N 0 0 317.316 2.270 10 30 DEEERN CN1CCCN(Cc2cccn2Cc2ccccc2C#N)CC1=O ZINC000191666515 145062215 /nfs/dbraw/zinc/06/22/15/145062215.db2.gz QTHSSRFAAGMBIF-UHFFFAOYSA-N 0 0 322.412 2.072 10 30 DEEERN N#Cc1cc(C(=O)N2CCO[C@H](c3ccccc3F)C2)ccn1 ZINC000193111938 145082436 /nfs/dbraw/zinc/08/24/36/145082436.db2.gz FJGRDJBXYDKXED-INIZCTEOSA-N 0 0 311.316 2.306 10 30 DEEERN Cc1cccc2nc(CNC(=O)c3ccnc(C#N)c3)n(C)c21 ZINC000193552224 145087029 /nfs/dbraw/zinc/08/70/29/145087029.db2.gz JDAPUOYTGAROHR-UHFFFAOYSA-N 0 0 305.341 2.078 10 30 DEEERN CCn1c2ccc(C#N)cc2nc1NC(=O)c1ccnc(C#N)c1 ZINC000193715194 145089356 /nfs/dbraw/zinc/08/93/56/145089356.db2.gz MCFFYJNFXIFKGL-UHFFFAOYSA-N 0 0 316.324 2.447 10 30 DEEERN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000247038374 145124138 /nfs/dbraw/zinc/12/41/38/145124138.db2.gz NWGOWNKIXCMEKS-UKRRQHHQSA-N 0 0 323.400 2.108 10 30 DEEERN CC(C)C[C@@H](C)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000248398945 145153262 /nfs/dbraw/zinc/15/32/62/145153262.db2.gz UWSPOBWIDHKPOM-ZIAGYGMSSA-N 0 0 315.421 2.068 10 30 DEEERN C#CC[C@H](NC(=O)N[C@H](CC)[C@H](O)C(F)F)c1ccccc1 ZINC000297179252 404486223 /nfs/dbraw/zinc/48/62/23/404486223.db2.gz FMTPTCRTUZJJDH-RDBSUJKOSA-N 0 0 310.344 2.455 10 30 DEEERN N#Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)ccn1 ZINC000348242906 146239980 /nfs/dbraw/zinc/23/99/80/146239980.db2.gz LFSQJUMYQOZONS-HOTGVXAUSA-N 0 0 311.316 2.040 10 30 DEEERN COc1ccc(Cl)c(NC(=O)[C@H](C)n2cnc(C#N)n2)c1 ZINC000358721521 147189698 /nfs/dbraw/zinc/18/96/98/147189698.db2.gz WYTADUTYHUWNGF-QMMMGPOBSA-N 0 0 305.725 2.011 10 30 DEEERN CC(C)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000072058674 401702383 /nfs/dbraw/zinc/70/23/83/401702383.db2.gz XGKBWXHVWJQCCL-AWEZNQCLSA-N 0 0 317.414 2.444 10 30 DEEERN C=CC1CCN(C(=O)NC2CCN(C(=O)C(C)C)CC2)CC1 ZINC000111449823 401716160 /nfs/dbraw/zinc/71/61/60/401716160.db2.gz VKKWDJVQPOGFQI-UHFFFAOYSA-N 0 0 307.438 2.241 10 30 DEEERN C[C@@H]1C[C@@H](C)CN(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000128122556 401764140 /nfs/dbraw/zinc/76/41/40/401764140.db2.gz KPQPPSJUEMGUAA-ZIAGYGMSSA-N 0 0 306.431 2.310 10 30 DEEERN C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccccn1 ZINC000128391183 401774817 /nfs/dbraw/zinc/77/48/17/401774817.db2.gz VYAOBUSJWNJPMJ-CYBMUJFWSA-N 0 0 315.398 2.078 10 30 DEEERN C[C@@H]1CC[C@H](CCC(=O)NCCOc2ccc(C#N)cc2)O1 ZINC000076210925 401787131 /nfs/dbraw/zinc/78/71/31/401787131.db2.gz DEXKIYGTHMSLCP-CZUORRHYSA-N 0 0 302.374 2.401 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000076489730 401796648 /nfs/dbraw/zinc/79/66/48/401796648.db2.gz MIPQRHDLLLBHLT-UHFFFAOYSA-N 0 0 311.385 2.330 10 30 DEEERN CN(C)C(=O)C1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000077497676 401817532 /nfs/dbraw/zinc/81/75/32/401817532.db2.gz KUPYHNKFIFSRSX-UHFFFAOYSA-N 0 0 318.352 2.029 10 30 DEEERN COc1ccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000130709631 401838037 /nfs/dbraw/zinc/83/80/37/401838037.db2.gz AREHGQZGZOSNGL-UHFFFAOYSA-N 0 0 308.337 2.470 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@@H]1CCC[C@@H]1C(=O)N[C@@H](CC)CC#N ZINC000132343046 401865489 /nfs/dbraw/zinc/86/54/89/401865489.db2.gz JORZGUAEMJQXEE-NMWPEEMBSA-N 0 0 318.421 2.020 10 30 DEEERN C=CCCO[C@H](C)C(=O)NCCc1csc(N2CCCC2)n1 ZINC000114854009 401812279 /nfs/dbraw/zinc/81/22/79/401812279.db2.gz IIOQLYFSKWNHNF-CYBMUJFWSA-N 0 0 323.462 2.383 10 30 DEEERN C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CCS1(=O)=O ZINC000135241935 401931990 /nfs/dbraw/zinc/93/19/90/401931990.db2.gz KVHIANWVDZBYHZ-ZDUSSCGKSA-N 0 0 306.431 2.107 10 30 DEEERN CCOCCN1CCN(C(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000117397728 401876671 /nfs/dbraw/zinc/87/66/71/401876671.db2.gz RKFLTIHOLRKXHC-AWEZNQCLSA-N 0 0 316.405 2.133 10 30 DEEERN C[C@H](NC(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1ccncc1 ZINC000133211999 401880624 /nfs/dbraw/zinc/88/06/24/401880624.db2.gz GFCQKVABUKSNCV-ZDUSSCGKSA-N 0 0 322.368 2.487 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccn(CCC#N)n1 ZINC000117710810 401881754 /nfs/dbraw/zinc/88/17/54/401881754.db2.gz IQVQHALGIMUTAD-GFCCVEGCSA-N 0 0 309.329 2.074 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCc3n[nH]cc32)cc1 ZINC000134683687 401910953 /nfs/dbraw/zinc/91/09/53/401910953.db2.gz RXKVUPRJVBQNSL-CQSZACIVSA-N 0 0 324.384 2.384 10 30 DEEERN CC#CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000135921227 401955173 /nfs/dbraw/zinc/95/51/73/401955173.db2.gz NFFZIWNHZGHVRN-LSDHHAIUSA-N 0 0 305.809 2.408 10 30 DEEERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000119550317 401958336 /nfs/dbraw/zinc/95/83/36/401958336.db2.gz ZWCDYROGYIPJTQ-MWLCHTKSSA-N 0 0 320.780 2.329 10 30 DEEERN C#CCCCCC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120168447 401981078 /nfs/dbraw/zinc/98/10/78/401981078.db2.gz WTYZCCNTTPJRSH-OAHLLOKOSA-N 0 0 300.406 2.097 10 30 DEEERN N#CC1(NC(=O)c2nc(Br)cs2)CCCC1 ZINC000119359517 401944634 /nfs/dbraw/zinc/94/46/34/401944634.db2.gz PSBTUKVZVNNGPZ-UHFFFAOYSA-N 0 0 300.181 2.472 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@H]([S@@](=O)c2cc(C#N)ccn2)C1 ZINC000095083182 402024769 /nfs/dbraw/zinc/02/47/69/402024769.db2.gz RKVCIOCRJPDCDN-YTEVENLXSA-N 0 0 321.402 2.070 10 30 DEEERN C#CCSCCNC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000150985558 402008904 /nfs/dbraw/zinc/00/89/04/402008904.db2.gz HFFWVBBTGUTCDW-CYBMUJFWSA-N 0 0 310.444 2.197 10 30 DEEERN C=CCC(CC=C)C(=O)N1CCO[C@@H](c2nnc(CC)[nH]2)C1 ZINC000150997527 402010053 /nfs/dbraw/zinc/01/00/53/402010053.db2.gz CCAUSCCEHUEMGX-CYBMUJFWSA-N 0 0 304.394 2.035 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000152132555 402077554 /nfs/dbraw/zinc/07/75/54/402077554.db2.gz JUCWMASNAJZEDL-ZDUSSCGKSA-N 0 0 301.371 2.172 10 30 DEEERN C=CCc1ccc(OCC(=O)N(C)C[C@@H]2CCCO2)c(OC)c1 ZINC000058964187 402103574 /nfs/dbraw/zinc/10/35/74/402103574.db2.gz HOJKRCIPLNADAM-HNNXBMFYSA-N 0 0 319.401 2.440 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000066311368 402130410 /nfs/dbraw/zinc/13/04/10/402130410.db2.gz ZLBSJMAWGQTJIS-TZMCWYRMSA-N 0 0 323.414 2.003 10 30 DEEERN COCCOC1CCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000123696884 402141760 /nfs/dbraw/zinc/14/17/60/402141760.db2.gz OZRCMCVUXRQPQS-UHFFFAOYSA-N 0 0 302.374 2.134 10 30 DEEERN COC[C@@H](C)C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000103433606 402187836 /nfs/dbraw/zinc/18/78/36/402187836.db2.gz HVZRQTIQFHWHFF-BXKDBHETSA-N 0 0 311.179 2.412 10 30 DEEERN Cc1cnc(CCN(C)C(=O)Nc2ccn(CCC#N)n2)s1 ZINC000154163424 402196712 /nfs/dbraw/zinc/19/67/12/402196712.db2.gz FSKRCJCHWITRHB-UHFFFAOYSA-N 0 0 318.406 2.268 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000154731367 402228094 /nfs/dbraw/zinc/22/80/94/402228094.db2.gz QXOJNBADEBPUQN-UHFFFAOYSA-N 0 0 317.389 2.032 10 30 DEEERN C=CC1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2OC)CC1 ZINC000154798362 402233308 /nfs/dbraw/zinc/23/33/08/402233308.db2.gz XFAQKSBRCRKIPG-UHFFFAOYSA-N 0 0 323.414 2.137 10 30 DEEERN C=CCCCN(C)C(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC000125514956 402236759 /nfs/dbraw/zinc/23/67/59/402236759.db2.gz DISABBROBTUBFX-UHFFFAOYSA-N 0 0 324.446 2.339 10 30 DEEERN C[C@@H]1CN(C)C[C@H](C)N1C(=O)CSCc1ccc(C#N)cc1 ZINC000155208353 402248778 /nfs/dbraw/zinc/24/87/78/402248778.db2.gz QXNOXTMTGIDSNV-OKILXGFUSA-N 0 0 317.458 2.342 10 30 DEEERN N#C[C@@H](NC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CC1 ZINC000108836665 402262668 /nfs/dbraw/zinc/26/26/68/402262668.db2.gz CRLWIOGTCWLWEC-UONOGXRCSA-N 0 0 317.776 2.111 10 30 DEEERN COc1ccc(Br)c(C(=O)N[C@H](C#N)C2CC2)c1 ZINC000070976091 402268050 /nfs/dbraw/zinc/26/80/50/402268050.db2.gz UHCNYRPEQJEAID-GFCCVEGCSA-N 0 0 309.163 2.490 10 30 DEEERN CC1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000184637215 402286794 /nfs/dbraw/zinc/28/67/94/402286794.db2.gz RJJYNGVPPSVMFF-UHFFFAOYSA-N 0 0 310.361 2.403 10 30 DEEERN C[C@H]1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@H]1C ZINC000184642893 402287716 /nfs/dbraw/zinc/28/77/16/402287716.db2.gz HOOMUSKCYQFOGT-RYUDHWBXSA-N 0 0 310.361 2.401 10 30 DEEERN N#Cc1ccc(OC2CN(C[C@H](O)c3ccccc3F)C2)cc1 ZINC000158554423 402308017 /nfs/dbraw/zinc/30/80/17/402308017.db2.gz XNTHIDPAVUIKNB-SFHVURJKSA-N 0 0 312.344 2.494 10 30 DEEERN C=CCOc1ccc(OS(=O)(=O)CCCCOC)cc1 ZINC000184978374 402314034 /nfs/dbraw/zinc/31/40/34/402314034.db2.gz ITDGNWHTSWPOAL-UHFFFAOYSA-N 0 0 300.376 2.387 10 30 DEEERN N#Cc1ccccc1OCC(=O)Nc1cccc2c1OCC[C@H]2O ZINC000185272765 402340378 /nfs/dbraw/zinc/34/03/78/402340378.db2.gz ZIUBGACODMMNAK-OAHLLOKOSA-N 0 0 324.336 2.392 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(OC)ccc1Br ZINC000185895104 402387053 /nfs/dbraw/zinc/38/70/53/402387053.db2.gz PSORWDQDTSSJAS-SECBINFHSA-N 0 0 314.179 2.125 10 30 DEEERN CC(C)n1cc(C#N)c(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)n1 ZINC000177000690 402358269 /nfs/dbraw/zinc/35/82/69/402358269.db2.gz MRLJQVSWWNVKNE-AWEZNQCLSA-N 0 0 324.340 2.056 10 30 DEEERN Cc1nc(C[C@H]2CCCN(C(=O)c3cc(C#N)cs3)C2)no1 ZINC000177042627 402362841 /nfs/dbraw/zinc/36/28/41/402362841.db2.gz WRMOCTVLWKOYCY-LLVKDONJSA-N 0 0 316.386 2.406 10 30 DEEERN Cn1nccc1CCC(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000185754781 402374376 /nfs/dbraw/zinc/37/43/76/402374376.db2.gz SYBWFGYVERBIQW-GOSISDBHSA-N 0 0 310.401 2.384 10 30 DEEERN C[C@H](CNC(=O)c1cc(C#N)cn1C)N1CCc2ccccc21 ZINC000176684359 402328279 /nfs/dbraw/zinc/32/82/79/402328279.db2.gz LYEUBCOQASSYHL-CYBMUJFWSA-N 0 0 308.385 2.078 10 30 DEEERN COc1ccc(C(C)(C)C(=O)N[C@H](C#N)C2CC2)cc1OC ZINC000161684305 402395859 /nfs/dbraw/zinc/39/58/59/402395859.db2.gz TWLQLUUXFKZUMF-CYBMUJFWSA-N 0 0 302.374 2.400 10 30 DEEERN N#C[C@@H](NC(=O)[C@H](c1ccccc1)N1CCCCC1=O)C1CC1 ZINC000161831596 402400962 /nfs/dbraw/zinc/40/09/62/402400962.db2.gz OHPAZNHMFXUCHH-WBVHZDCISA-N 0 0 311.385 2.159 10 30 DEEERN C[C@](C#N)(NC(=O)CN1Cc2ccccc2C2(CC2)C1)C1CC1 ZINC000186185453 402408701 /nfs/dbraw/zinc/40/87/01/402408701.db2.gz LVMRLOGUHBVFEG-GOSISDBHSA-N 0 0 309.413 2.342 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000162260763 402415017 /nfs/dbraw/zinc/41/50/17/402415017.db2.gz DKLPRKIGZHPASX-UHFFFAOYSA-N 0 0 307.309 2.450 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000186648042 402451107 /nfs/dbraw/zinc/45/11/07/402451107.db2.gz UVRDHRYMZPSTTI-KGLIPLIRSA-N 0 0 321.396 2.031 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCCCc1nc2ccccc2[nH]1 ZINC000177737550 402431694 /nfs/dbraw/zinc/43/16/94/402431694.db2.gz QHQFNUBZXUBHBR-UHFFFAOYSA-N 0 0 307.357 2.136 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](CCO)c1ccco1 ZINC000187814268 402512020 /nfs/dbraw/zinc/51/20/20/402512020.db2.gz ADYBTADSBUMUPZ-TZMCWYRMSA-N 0 0 314.341 2.158 10 30 DEEERN CCO[C@H]1C[C@H](NC(=O)c2sccc2C#N)C12CCOCC2 ZINC000187160066 402485907 /nfs/dbraw/zinc/48/59/07/402485907.db2.gz KABIIZBGWMNUEF-STQMWFEESA-N 0 0 320.414 2.324 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000245917225 402497033 /nfs/dbraw/zinc/49/70/33/402497033.db2.gz SAHOPJPFZKEZDO-OAGGEKHMSA-N 0 0 322.449 2.217 10 30 DEEERN CCN1CCO[C@@H](CNc2cccc(Br)c2C#N)C1 ZINC000168604029 402497321 /nfs/dbraw/zinc/49/73/21/402497321.db2.gz PDNNJGJDLNBJKL-NSHDSACASA-N 0 0 324.222 2.453 10 30 DEEERN COC(=O)[C@@H](NC[C@H]1CCC(C)(C)O1)c1cccc(C#N)c1 ZINC000187649654 402507545 /nfs/dbraw/zinc/50/75/45/402507545.db2.gz VYLTUJQYRHCSTA-CABCVRRESA-N 0 0 302.374 2.320 10 30 DEEERN CCN(CC)C(=O)CCCNC(=O)c1ccc(C#N)cc1C ZINC000178590412 402515052 /nfs/dbraw/zinc/51/50/52/402515052.db2.gz LFVXXXJMQYMTHV-UHFFFAOYSA-N 0 0 301.390 2.245 10 30 DEEERN COc1cccc([C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)c1 ZINC000178602314 402516015 /nfs/dbraw/zinc/51/60/15/402516015.db2.gz WQOKGIHGMYJJJC-MRXNPFEDSA-N 0 0 311.341 2.109 10 30 DEEERN C=CCSCCNC(=O)N1CCN(CC(F)F)[C@@H](CC)C1 ZINC000179644538 402597108 /nfs/dbraw/zinc/59/71/08/402597108.db2.gz GKUFVEKDYOFVDM-LBPRGKRZSA-N 0 0 321.437 2.277 10 30 DEEERN COC(=O)c1cncc(NC(=O)N(CCC#N)CC2CC2)c1 ZINC000180570480 402620149 /nfs/dbraw/zinc/62/01/49/402620149.db2.gz PTQXLVLZFZFWCF-UHFFFAOYSA-N 0 0 302.334 2.026 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000181088812 402635319 /nfs/dbraw/zinc/63/53/19/402635319.db2.gz FWJROERTLRVBQO-HRCADAONSA-N 0 0 309.454 2.093 10 30 DEEERN CO[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000191055875 402639380 /nfs/dbraw/zinc/63/93/80/402639380.db2.gz KLFXYYJYMIAPBD-GHMZBOCLSA-N 0 0 314.794 2.057 10 30 DEEERN COC(=O)C[C@H]1CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181574722 402650375 /nfs/dbraw/zinc/65/03/75/402650375.db2.gz JCQPQNUFJFNFSV-OAHLLOKOSA-N 0 0 312.369 2.409 10 30 DEEERN CO[C@@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC[C@@H]1C ZINC000251995620 402652417 /nfs/dbraw/zinc/65/24/17/402652417.db2.gz WFZOTZIRZCNYRU-DOTOQJQBSA-N 0 0 315.417 2.290 10 30 DEEERN Cc1sc(NC(=O)CN2[C@@H](C)CC(O)C[C@@H]2C)c(C#N)c1C ZINC000191286254 402657760 /nfs/dbraw/zinc/65/77/60/402657760.db2.gz FSAMPOGPNQBSNJ-UWVGGRQHSA-N 0 0 321.446 2.409 10 30 DEEERN CN(Cc1cscn1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000173800734 402713647 /nfs/dbraw/zinc/71/36/47/402713647.db2.gz LSXXKRIXUYTBMC-UHFFFAOYSA-N 0 0 316.386 2.235 10 30 DEEERN N#Cc1ccc(OCCNC(=O)CCc2ccccc2O)cc1 ZINC000173908494 402718751 /nfs/dbraw/zinc/71/87/51/402718751.db2.gz KVCVSAAMNOKQDT-UHFFFAOYSA-N 0 0 310.353 2.392 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000173527761 402701200 /nfs/dbraw/zinc/70/12/00/402701200.db2.gz GUMYCPVRVMBEQU-CQSZACIVSA-N 0 0 313.401 2.299 10 30 DEEERN Cc1c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)ccn1C ZINC000192591022 402739340 /nfs/dbraw/zinc/73/93/40/402739340.db2.gz KHDRFMOZSUYEMC-UHFFFAOYSA-N 0 0 306.329 2.038 10 30 DEEERN C=CCN(CCN1CCO[C@@H](C)C1)Cc1cccc([N+](=O)[O-])c1 ZINC000192727136 402746672 /nfs/dbraw/zinc/74/66/72/402746672.db2.gz NPGUXOINCUBWEJ-HNNXBMFYSA-N 0 0 319.405 2.304 10 30 DEEERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000174910106 402762532 /nfs/dbraw/zinc/76/25/32/402762532.db2.gz YYEZKAWTKZAKPN-CQSZACIVSA-N 0 0 300.358 2.362 10 30 DEEERN CC[C@@H](CC#N)NC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000183857773 402802569 /nfs/dbraw/zinc/80/25/69/402802569.db2.gz QHDWWIQNRLWYEH-VIFPVBQESA-N 0 0 301.268 2.445 10 30 DEEERN CC[C@@H](CC#N)NC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000183937887 402806707 /nfs/dbraw/zinc/80/67/07/402806707.db2.gz BVVDQQCEDRJDPN-CMPLNLGQSA-N 0 0 321.327 2.126 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(C(=O)OCCC)cc1 ZINC000183941316 402806921 /nfs/dbraw/zinc/80/69/21/402806921.db2.gz BPHIFOVSRRDEPN-CQSZACIVSA-N 0 0 306.362 2.312 10 30 DEEERN O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@@H]1CNC(=O)C1 ZINC000194786651 402816022 /nfs/dbraw/zinc/81/60/22/402816022.db2.gz AKELUZXIJZEXKV-INIZCTEOSA-N 0 0 304.349 2.161 10 30 DEEERN CSC1(CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 ZINC000195154770 402834345 /nfs/dbraw/zinc/83/43/45/402834345.db2.gz XDIZQJJITVTUOP-UHFFFAOYSA-N 0 0 317.414 2.226 10 30 DEEERN Cc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c(C)n1 ZINC000183663514 402786365 /nfs/dbraw/zinc/78/63/65/402786365.db2.gz SFLOWHFVQAJOGY-UHFFFAOYSA-N 0 0 318.340 2.403 10 30 DEEERN C=CCOc1cccc(NC(=O)[C@@H](C)CN2CCOCC2)c1 ZINC000273040770 402965169 /nfs/dbraw/zinc/96/51/69/402965169.db2.gz GFOWCZPNGUXAQK-AWEZNQCLSA-N 0 0 304.390 2.158 10 30 DEEERN Cn1c2c(nc1[C@H]1CCCN1C(=O)c1cc(C#N)c[nH]1)CCCC2 ZINC000279196498 402914929 /nfs/dbraw/zinc/91/49/29/402914929.db2.gz MBVBPIFUOIPWNH-MRXNPFEDSA-N 0 0 323.400 2.476 10 30 DEEERN C=C(Cl)CNC(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000265547372 402928433 /nfs/dbraw/zinc/92/84/33/402928433.db2.gz IAFUTXRKBIUZBJ-UHFFFAOYSA-N 0 0 321.808 2.343 10 30 DEEERN C=CCCCN(C)C(=O)CNC(=O)NCc1ccc(C)cc1 ZINC000265645237 402936215 /nfs/dbraw/zinc/93/62/15/402936215.db2.gz SYENRTSIPMHWQZ-UHFFFAOYSA-N 0 0 303.406 2.219 10 30 DEEERN CC(C)(C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C#N)C[C@H]1O ZINC000273312481 402993166 /nfs/dbraw/zinc/99/31/66/402993166.db2.gz NWZHLAQRVIPKIX-CHWSQXEVSA-N 0 0 304.350 2.095 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)[C@H](OC)c1ccc(OC)cc1 ZINC000273446403 403005936 /nfs/dbraw/zinc/00/59/36/403005936.db2.gz XEPUXCOFYCDABY-BJJXKVORSA-N 0 0 322.405 2.007 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)CCCC[C@H](C)C(C)=O)C1=O ZINC000281601672 403073687 /nfs/dbraw/zinc/07/36/87/403073687.db2.gz DJGIFHOUQRVJEO-DZGCQCFKSA-N 0 0 308.422 2.017 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1CCc2cnn(C)c2C1 ZINC000281944858 403107012 /nfs/dbraw/zinc/10/70/12/403107012.db2.gz RUOWQVQQFVCGFU-JTQLQIEISA-N 0 0 301.312 2.102 10 30 DEEERN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCc2sccc2[C@H]1C ZINC000282990636 403164816 /nfs/dbraw/zinc/16/48/16/403164816.db2.gz MXFVJBZDWDASLO-WDEREUQCSA-N 0 0 313.448 2.146 10 30 DEEERN C=CCn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC000282425664 403152687 /nfs/dbraw/zinc/15/26/87/403152687.db2.gz YFKZJQYICHKQBB-CYBMUJFWSA-N 0 0 306.410 2.052 10 30 DEEERN C#CCC(CC#C)C(=O)NCCCc1nc2ccccc2n1C ZINC000277647510 403240563 /nfs/dbraw/zinc/24/05/63/403240563.db2.gz KOSIFHRTJUVMSH-UHFFFAOYSA-N 0 0 307.397 2.285 10 30 DEEERN C#CCC(CC#C)C(=O)N(CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000277669881 403243243 /nfs/dbraw/zinc/24/32/43/403243243.db2.gz MKFVMZYSHNHDCM-SFHVURJKSA-N 0 0 322.408 2.303 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N[C@H]1CCc2c1cccc2F ZINC000285255193 403279820 /nfs/dbraw/zinc/27/98/20/403279820.db2.gz YEGUPAMCYYSQSW-HNNXBMFYSA-N 0 0 302.349 2.130 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CNC(=O)CC(C)(C)C ZINC000285714156 403364410 /nfs/dbraw/zinc/36/44/10/403364410.db2.gz IBZKRWOSVKKLHE-MRXNPFEDSA-N 0 0 314.429 2.290 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCc1cc(F)cc(F)c1 ZINC000286055927 403439726 /nfs/dbraw/zinc/43/97/26/403439726.db2.gz XKQLPZUEYWMAEY-UHFFFAOYSA-N 0 0 310.344 2.048 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1cccc(CN2CCCC2=O)c1 ZINC000287152322 403555150 /nfs/dbraw/zinc/55/51/50/403555150.db2.gz MGOWHZBRDBFVPH-UHFFFAOYSA-N 0 0 322.408 2.088 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000286831893 403546838 /nfs/dbraw/zinc/54/68/38/403546838.db2.gz XGORTYBGMXXIPS-FZMZJTMJSA-N 0 0 308.809 2.455 10 30 DEEERN C=C[C@](C)(O)CC(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000293756720 403556348 /nfs/dbraw/zinc/55/63/48/403556348.db2.gz LCFYGRWXRZRDCH-ZDUSSCGKSA-N 0 0 302.296 2.086 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@H]1OC ZINC000293588902 403512447 /nfs/dbraw/zinc/51/24/47/403512447.db2.gz OEOURBGEEKCJJL-GOEBONIOSA-N 0 0 314.385 2.193 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)C1CN(CC(F)F)C1 ZINC000346320361 403584254 /nfs/dbraw/zinc/58/42/54/403584254.db2.gz YZRBVVXLCKVVGC-UHFFFAOYSA-N 0 0 308.372 2.441 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC000287369956 403584850 /nfs/dbraw/zinc/58/48/50/403584850.db2.gz QKMIKWZVGGTEEB-GOEBONIOSA-N 0 0 314.429 2.288 10 30 DEEERN N#Cc1nccnc1NCc1ccc(N2CCCCC2=O)cc1 ZINC000301179479 403598729 /nfs/dbraw/zinc/59/87/29/403598729.db2.gz MMYHYEKQCLUVGH-UHFFFAOYSA-N 0 0 307.357 2.477 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000287345477 403579797 /nfs/dbraw/zinc/57/97/97/403579797.db2.gz NDNKDPZGEQJBCI-DOTOQJQBSA-N 0 0 307.397 2.265 10 30 DEEERN C=CCN(Cc1cccs1)S(=O)(=O)c1cc(C)cnc1N ZINC000347064141 403614533 /nfs/dbraw/zinc/61/45/33/403614533.db2.gz SPJYZWOZJHCORR-UHFFFAOYSA-N 0 0 323.443 2.411 10 30 DEEERN COc1ccc(C(=O)NCCNc2cc(C)nc(C)c2C#N)cc1 ZINC000301766951 403675687 /nfs/dbraw/zinc/67/56/87/403675687.db2.gz HPFHEOLAJDJQNA-UHFFFAOYSA-N 0 0 324.384 2.421 10 30 DEEERN C#CCO[C@@H](C)C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000294310255 403699547 /nfs/dbraw/zinc/69/95/47/403699547.db2.gz GEIPQOUXHCCKFU-GXFFZTMASA-N 0 0 321.174 2.168 10 30 DEEERN COC(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(C#N)c2)o1 ZINC000302741098 403719033 /nfs/dbraw/zinc/71/90/33/403719033.db2.gz YYYDXSBFQWTOAT-UHFFFAOYSA-N 0 0 301.258 2.458 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCOC[C@@H]1C1CC1 ZINC000288244738 403743311 /nfs/dbraw/zinc/74/33/11/403743311.db2.gz SJYHMABQYANCDR-ZWKOTPCHSA-N 0 0 312.413 2.441 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC000288291113 403744905 /nfs/dbraw/zinc/74/49/05/403744905.db2.gz VVWKAMMJGPCHBZ-KRWDZBQOSA-N 0 0 308.381 2.267 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)NC(C)(C)C(F)(F)F ZINC000295220908 403800961 /nfs/dbraw/zinc/80/09/61/403800961.db2.gz QZDLXNHQLIPEAB-UHFFFAOYSA-N 0 0 306.309 2.486 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC[C@H](CO)Cc1ccc(OC)c(O)c1 ZINC000344022553 403855167 /nfs/dbraw/zinc/85/51/67/403855167.db2.gz XTPWUVXZTSUSQS-UKRRQHHQSA-N 0 0 321.417 2.270 10 30 DEEERN CC(C)(C)n1cc(C(=O)C(=O)N[C@@](C)(C#N)C(C)(C)C)cn1 ZINC000361949906 403911035 /nfs/dbraw/zinc/91/10/35/403911035.db2.gz RNCNWVMAHYQPCY-INIZCTEOSA-N 0 0 304.394 2.265 10 30 DEEERN C=CCn1c(C)cc(C(=O)CN2CCCC[C@H]2CC(N)=O)c1C ZINC000362229796 403936516 /nfs/dbraw/zinc/93/65/16/403936516.db2.gz SNVWBWGTAAFUOE-HNNXBMFYSA-N 0 0 317.433 2.204 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(S(C)(=O)=O)cc1C ZINC000362444071 403955027 /nfs/dbraw/zinc/95/50/27/403955027.db2.gz BWGXYMRVTRKYST-ZFWWWQNUSA-N 0 0 323.414 2.318 10 30 DEEERN Cc1ncc(S(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1C#N ZINC000313908801 403991558 /nfs/dbraw/zinc/99/15/58/403991558.db2.gz ACXPIQNROBWSME-WFASDCNBSA-N 0 0 305.403 2.215 10 30 DEEERN C=C[C@@H](C)NC(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000362611650 403973499 /nfs/dbraw/zinc/97/34/99/403973499.db2.gz DRRXXQHNPXUJLF-CYBMUJFWSA-N 0 0 305.397 2.272 10 30 DEEERN C=CCN(C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000354882345 404078746 /nfs/dbraw/zinc/07/87/46/404078746.db2.gz JOXMTLRUDKSWBE-CVEARBPZSA-N 0 0 300.402 2.473 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCC(C)=C(C)C1 ZINC000290353305 404136425 /nfs/dbraw/zinc/13/64/25/404136425.db2.gz KROSLSRFHBZJEF-CQSZACIVSA-N 0 0 304.394 2.099 10 30 DEEERN N#C[C@H]1CN(Cc2ccccc2OC(F)F)CCN1C1CC1 ZINC000363500882 404169267 /nfs/dbraw/zinc/16/92/67/404169267.db2.gz RSJCTOODZABCIF-AWEZNQCLSA-N 0 0 307.344 2.460 10 30 DEEERN C[C@@H]1CC[C@H](C(=O)N[C@@H](c2nccn2C)C2CCOCC2)O1 ZINC000328970790 404186911 /nfs/dbraw/zinc/18/69/11/404186911.db2.gz BHOSABQLCDXKSA-MRVWCRGKSA-N 0 0 307.394 2.412 10 30 DEEERN CO[C@@H]1C[C@@H](CO)N(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000329023813 404205047 /nfs/dbraw/zinc/20/50/47/404205047.db2.gz IVONMBDQYPCHRN-ARKGTOAJSA-N 0 0 310.438 2.341 10 30 DEEERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)C1CCSCC1 ZINC000329105760 404232446 /nfs/dbraw/zinc/23/24/46/404232446.db2.gz HFXPEVOCBZBGRI-VXGBXAGGSA-N 0 0 305.465 2.442 10 30 DEEERN C=CCCO[C@H](C)C(=O)N(C)CC(=O)Nc1cccc(F)c1 ZINC000344580853 404237669 /nfs/dbraw/zinc/23/76/69/404237669.db2.gz YKMSPPXEGGOJNA-GFCCVEGCSA-N 0 0 308.353 2.204 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCC(C2N=NC(=O)N2CC)CC1 ZINC000364243019 404330681 /nfs/dbraw/zinc/33/06/81/404330681.db2.gz CCTZTGCVUQMJMO-GFCCVEGCSA-N 0 0 306.410 2.312 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCOC[C@@H]1C ZINC000355455398 404336924 /nfs/dbraw/zinc/33/69/24/404336924.db2.gz YOEURADTKIGLKO-XJKSGUPXSA-N 0 0 322.405 2.285 10 30 DEEERN C=C[C@H](C)NC(=O)NCc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000355918752 404376584 /nfs/dbraw/zinc/37/65/84/404376584.db2.gz CDCOKWZFZTYQDD-JTQLQIEISA-N 0 0 303.362 2.119 10 30 DEEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)NCC1(C)COC1)C2 ZINC000329563853 404377909 /nfs/dbraw/zinc/37/79/09/404377909.db2.gz SBTONAQBBCJMLA-GFCCVEGCSA-N 0 0 320.437 2.036 10 30 DEEERN C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000356107688 404392185 /nfs/dbraw/zinc/39/21/85/404392185.db2.gz MWDYEFMOGKMULJ-JZXOWHBKSA-N 0 0 311.385 2.172 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000342153474 404407491 /nfs/dbraw/zinc/40/74/91/404407491.db2.gz BYYNUUABYVGFNT-LBPRGKRZSA-N 0 0 319.792 2.440 10 30 DEEERN CN1CCN(C(=O)N[C@@H]2CCCc3sccc32)C[C@H]1C#N ZINC000329961552 404509165 /nfs/dbraw/zinc/50/91/65/404509165.db2.gz OQCIVUHMXXSODH-DGCLKSJQSA-N 0 0 304.419 2.179 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCc1ncccc1C ZINC000297097051 404448558 /nfs/dbraw/zinc/44/85/58/404448558.db2.gz XTTBRKCSRHFVJS-GOEBONIOSA-N 0 0 303.406 2.213 10 30 DEEERN C=CCn1c(COCC)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC000351175839 404525612 /nfs/dbraw/zinc/52/56/12/404525612.db2.gz ZCWXUYIWNJLHOF-CQSZACIVSA-N 0 0 316.409 2.076 10 30 DEEERN C#CCCCCNC(=O)N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000373784404 404587875 /nfs/dbraw/zinc/58/78/75/404587875.db2.gz ATNICJYSCAZSKG-ZOBUZTSGSA-N 0 0 308.422 2.158 10 30 DEEERN O=C(Nc1cccc2c1OCCC2=O)N1CCO[C@@H](C2CC2)C1 ZINC000330126346 404559482 /nfs/dbraw/zinc/55/94/82/404559482.db2.gz IQLUYMOXICRGLP-OAHLLOKOSA-N 0 0 316.357 2.308 10 30 DEEERN O=C(NC[C@@H]1Cc2ccccc2O1)N1CCO[C@H](C2CC2)C1 ZINC000330150798 404566695 /nfs/dbraw/zinc/56/66/95/404566695.db2.gz VVKPSTMEAVJJSK-HOCLYGCPSA-N 0 0 302.374 2.015 10 30 DEEERN C[C@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)C1CCOCC1 ZINC000330160203 404571070 /nfs/dbraw/zinc/57/10/70/404571070.db2.gz RSLCWPVIOBHCEF-NJZAAPMLSA-N 0 0 307.394 2.269 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C3CC3)C2)C12CCC2 ZINC000330183186 404576067 /nfs/dbraw/zinc/57/60/67/404576067.db2.gz PPZRRMSWJSWBOW-QLFBSQMISA-N 0 0 308.422 2.359 10 30 DEEERN C=C(C)CCNC(=O)c1nc2ccc(Br)cn2n1 ZINC000414398888 404613733 /nfs/dbraw/zinc/61/37/33/404613733.db2.gz KQVTYQRNTVJSBE-UHFFFAOYSA-N 0 0 309.167 2.188 10 30 DEEERN C=C(C)COc1cc(CN2CCO[C@H]([C@H](C)O)C2)ccc1OC ZINC000414561844 404681758 /nfs/dbraw/zinc/68/17/58/404681758.db2.gz AJCQNTAGKXMEQN-KSSFIOAISA-N 0 0 321.417 2.232 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N1CCC[C@@H](CO)[C@@H]1C ZINC000414530745 404668878 /nfs/dbraw/zinc/66/88/78/404668878.db2.gz SBWRVQGFLNBELB-STQMWFEESA-N 0 0 302.378 2.321 10 30 DEEERN C=CCn1c([C@H]2CCCCO2)nnc1N1C[C@@H]2C[C@H]1CS2 ZINC000414531102 404669514 /nfs/dbraw/zinc/66/95/14/404669514.db2.gz SMVBZHZULFBPKI-RWMBFGLXSA-N 0 0 306.435 2.400 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000375721171 404733720 /nfs/dbraw/zinc/73/37/20/404733720.db2.gz USLQIZGRGBOYSC-JKJDWNRSSA-N 0 0 305.418 2.432 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000414860783 404751074 /nfs/dbraw/zinc/75/10/74/404751074.db2.gz DMBGJZDTRITDOF-UHFFFAOYSA-N 0 0 301.390 2.408 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000353157417 404756305 /nfs/dbraw/zinc/75/63/05/404756305.db2.gz GBEGJRAAMTYPOX-UKRRQHHQSA-N 0 0 304.390 2.302 10 30 DEEERN Cc1ccc(C(=O)N2CCC(C)(C#N)CC2)cc1S(C)(=O)=O ZINC000356977161 404723952 /nfs/dbraw/zinc/72/39/52/404723952.db2.gz JHINGCHMWPLFSS-UHFFFAOYSA-N 0 0 320.414 2.164 10 30 DEEERN C=CCNC(=O)Nc1ccc(N[C@H](C(=O)OC)C2CC2)cc1 ZINC000358845154 404778274 /nfs/dbraw/zinc/77/82/74/404778274.db2.gz FELZEQVTIPFJHN-AWEZNQCLSA-N 0 0 303.362 2.358 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000358969526 404780685 /nfs/dbraw/zinc/78/06/85/404780685.db2.gz CVQGSTHNSYYRHU-LBPRGKRZSA-N 0 0 322.380 2.436 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000359118248 404784173 /nfs/dbraw/zinc/78/41/73/404784173.db2.gz UWEXHFJOIZGXKC-CABCVRRESA-N 0 0 322.449 2.313 10 30 DEEERN C#CCCCCNC(=O)NC1(c2noc(C(F)F)n2)CCC1 ZINC000366285560 404785470 /nfs/dbraw/zinc/78/54/70/404785470.db2.gz JWGBAIWRIWTYBT-UHFFFAOYSA-N 0 0 312.320 2.489 10 30 DEEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1nc(C2CC2)c[nH]1 ZINC000359379216 404791840 /nfs/dbraw/zinc/79/18/40/404791840.db2.gz KKWMQNIVFXRVQS-MRXNPFEDSA-N 0 0 318.377 2.487 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCN(c2ncc(CC)s2)CC1 ZINC000359625120 404798852 /nfs/dbraw/zinc/79/88/52/404798852.db2.gz PFXRLLNXEAOXNG-CYBMUJFWSA-N 0 0 323.462 2.335 10 30 DEEERN C=CCCCCNC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000353333750 404805230 /nfs/dbraw/zinc/80/52/30/404805230.db2.gz HXRXWZFNRQUYRG-CQSZACIVSA-N 0 0 321.396 2.125 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000360557197 404831396 /nfs/dbraw/zinc/83/13/96/404831396.db2.gz RTANQYNSWOLXFM-DOTOQJQBSA-N 0 0 319.401 2.274 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)[C@H](C)OC ZINC000360679888 404834296 /nfs/dbraw/zinc/83/42/96/404834296.db2.gz DLBIUNUEMFHEOG-OLZOCXBDSA-N 0 0 310.394 2.283 10 30 DEEERN Cn1ccnc1[C@@H]1CCN(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000366924730 404871910 /nfs/dbraw/zinc/87/19/10/404871910.db2.gz YIAIVCJFYKGBCE-YMAMQOFZSA-N 0 0 315.421 2.249 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000361135379 404937958 /nfs/dbraw/zinc/93/79/58/404937958.db2.gz GEQBVAFVGUCTJV-UHFFFAOYSA-N 0 0 311.366 2.109 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN[C@H](Cc1ccccc1)C(=O)OCC ZINC000424121310 405014163 /nfs/dbraw/zinc/01/41/63/405014163.db2.gz FUQMYXPHCRPNOI-BBWFWOEESA-N 0 0 303.402 2.342 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408066576 405103187 /nfs/dbraw/zinc/10/31/87/405103187.db2.gz ZQYDTBTZXJBFTE-BFHYXJOUSA-N 0 0 320.414 2.012 10 30 DEEERN N#Cc1ccnc(NC(=O)c2cc(OCC(F)F)ccn2)c1 ZINC000436028961 405038711 /nfs/dbraw/zinc/03/87/11/405038711.db2.gz QLNHQLGGWCMXDD-UHFFFAOYSA-N 0 0 304.256 2.244 10 30 DEEERN C=CC1CCN(S(=O)(=O)c2c(C(F)F)c(C)nn2C)CC1 ZINC000416390296 405128732 /nfs/dbraw/zinc/12/87/32/405128732.db2.gz OFDJNSJUYGBJBV-UHFFFAOYSA-N 0 0 319.377 2.253 10 30 DEEERN CC#CCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000361529811 405117089 /nfs/dbraw/zinc/11/70/89/405117089.db2.gz GVFWKXPVDRWXEF-CVEARBPZSA-N 0 0 321.371 2.423 10 30 DEEERN C=CCC1(C(=O)NCc2ccc(N(C)C)nc2)CCOCC1 ZINC000424582929 405121505 /nfs/dbraw/zinc/12/15/05/405121505.db2.gz LAQMISGLUAQFHO-UHFFFAOYSA-N 0 0 303.406 2.137 10 30 DEEERN C=C(CC)CNS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000452043578 405138344 /nfs/dbraw/zinc/13/83/44/405138344.db2.gz PQDBRJIHSNWKAD-UHFFFAOYSA-N 0 0 317.794 2.371 10 30 DEEERN C=C(C)C(C)(C)C(=O)NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000424709543 405156401 /nfs/dbraw/zinc/15/64/01/405156401.db2.gz GXWJUOUSPRWBGS-UHFFFAOYSA-N 0 0 314.389 2.494 10 30 DEEERN CCC[C@H]1CCCN(S(=O)(=O)c2cnc(C)c(C#N)c2)C1 ZINC000408362768 405186465 /nfs/dbraw/zinc/18/64/65/405186465.db2.gz QZGGQKRWPXJBFK-ZDUSSCGKSA-N 0 0 307.419 2.463 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)OCCc1ccccc1 ZINC000424924850 405213943 /nfs/dbraw/zinc/21/39/43/405213943.db2.gz NBMXQUVGYBUCAH-PVAVHDDUSA-N 0 0 303.402 2.342 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(Br)c(C)s1 ZINC000424774736 405174158 /nfs/dbraw/zinc/17/41/58/405174158.db2.gz HRMUXHZOBUOPEF-QMMMGPOBSA-N 0 0 304.209 2.486 10 30 DEEERN C=CCC1(C(=O)NC[C@@H](O)CCc2ccccc2)CCOCC1 ZINC000424783508 405176688 /nfs/dbraw/zinc/17/66/88/405176688.db2.gz QBYICPRCLRLSLR-KRWDZBQOSA-N 0 0 317.429 2.469 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000425429282 405289642 /nfs/dbraw/zinc/28/96/42/405289642.db2.gz YPAKGFZGAUCWED-FXUDXRNXSA-N 0 0 310.438 2.472 10 30 DEEERN C=CCC[C@@H]1NC(=O)N(Cc2cccc(OCCOC)c2)C1=O ZINC000419942604 405274008 /nfs/dbraw/zinc/27/40/08/405274008.db2.gz HKJGPOXRICRBGS-HNNXBMFYSA-N 0 0 318.373 2.098 10 30 DEEERN C=C(CC)CN1C(=O)N[C@@H](c2ccc(OC)cc2OC)C1=O ZINC000420068742 405285302 /nfs/dbraw/zinc/28/53/02/405285302.db2.gz VCGWXLQIPJOBEU-AWEZNQCLSA-N 0 0 304.346 2.263 10 30 DEEERN CC[C@@](C)(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)OC ZINC000452743462 405237070 /nfs/dbraw/zinc/23/70/70/405237070.db2.gz UIXHYTCIMURXHN-HOTGVXAUSA-N 0 0 312.410 2.179 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000425181161 405254523 /nfs/dbraw/zinc/25/45/23/405254523.db2.gz VJJQULXJXJZONX-GWCFXTLKSA-N 0 0 301.795 2.209 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)c1ccc(Br)cc1 ZINC000452930368 405261169 /nfs/dbraw/zinc/26/11/69/405261169.db2.gz VMVNLVOIVLJIBN-NEPJUHHUSA-N 0 0 324.174 2.092 10 30 DEEERN C=C[C@](C)(O)CC(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000425972094 405332416 /nfs/dbraw/zinc/33/24/16/405332416.db2.gz VQPIEYVVJJXZTR-INIZCTEOSA-N 0 0 302.330 2.220 10 30 DEEERN C=CCn1cc(CNC(=O)NCC[C@@H]2CCC[C@@H](C)C2)nn1 ZINC000425447617 405292383 /nfs/dbraw/zinc/29/23/83/405292383.db2.gz HAAOKKQUVMFMEW-KGLIPLIRSA-N 0 0 305.426 2.480 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1C[C@H](OC)C1(CC)CC ZINC000425477248 405296497 /nfs/dbraw/zinc/29/64/97/405296497.db2.gz OMLYZCMNOMKAOC-XQLPTFJDSA-N 0 0 310.438 2.470 10 30 DEEERN C=C(C)C(C)(C)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000425484166 405298104 /nfs/dbraw/zinc/29/81/04/405298104.db2.gz HYTLVYWFTLLFOC-OAHLLOKOSA-N 0 0 302.418 2.404 10 30 DEEERN C=C(C)COc1cccc(NC(=O)c2cccnc2C(N)=O)c1 ZINC000426483133 405363162 /nfs/dbraw/zinc/36/31/62/405363162.db2.gz BLXAHNSJENYETG-UHFFFAOYSA-N 0 0 311.341 2.388 10 30 DEEERN C=CCCCCCN(C)S(=O)(=O)c1c(Cl)cnn1C ZINC000429817711 405451015 /nfs/dbraw/zinc/45/10/15/405451015.db2.gz NRRXXIUREXGMMK-UHFFFAOYSA-N 0 0 305.831 2.440 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CC1(O)CCC1 ZINC000448818691 405451700 /nfs/dbraw/zinc/45/17/00/405451700.db2.gz OGPXDSLGBOSZGO-UHFFFAOYSA-N 0 0 304.346 2.415 10 30 DEEERN Cc1nn(C)cc1CC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000448902859 405461412 /nfs/dbraw/zinc/46/14/12/405461412.db2.gz WVOMYMHTHOXQJJ-UHFFFAOYSA-N 0 0 320.299 2.383 10 30 DEEERN CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](CO)C1CC1 ZINC000456056269 405483945 /nfs/dbraw/zinc/48/39/45/405483945.db2.gz DZYNTKFIENTCHI-INIZCTEOSA-N 0 0 300.402 2.262 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1cc(C(F)(F)F)cnc1C ZINC000635767811 405487529 /nfs/dbraw/zinc/48/75/29/405487529.db2.gz ZIMYHKMLFSNGMB-JTQLQIEISA-N 0 0 302.296 2.323 10 30 DEEERN C=CC(C)(C)CNC(=O)N[C@H](CC(=O)NC)c1ccccc1 ZINC000458737981 405565489 /nfs/dbraw/zinc/56/54/89/405565489.db2.gz LMMWAZUCOUSERL-CQSZACIVSA-N 0 0 303.406 2.375 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000633283587 405548078 /nfs/dbraw/zinc/54/80/78/405548078.db2.gz OWOXCWIUKKDDLE-QXSJWSMHSA-N 0 0 308.422 2.367 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)[C@@H](C)CC(=O)c1ccc(OC)cc1 ZINC000456758543 405551493 /nfs/dbraw/zinc/55/14/93/405551493.db2.gz COCHFWNTTGXMRS-ZFWWWQNUSA-N 0 0 319.401 2.347 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCc2nc(COC)ncc2C1 ZINC000633378444 405609022 /nfs/dbraw/zinc/60/90/22/405609022.db2.gz ZZNXORXJPRDCNZ-UHFFFAOYSA-N 0 0 318.421 2.293 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000633410745 405628418 /nfs/dbraw/zinc/62/84/18/405628418.db2.gz BPBOPCRAYIJAFE-OLZOCXBDSA-N 0 0 318.483 2.442 10 30 DEEERN C=CCOCCCNC(=O)NCc1cccc2c1CCOC2 ZINC000633354868 405591588 /nfs/dbraw/zinc/59/15/88/405591588.db2.gz WDBSCBAAOCEVRY-UHFFFAOYSA-N 0 0 304.390 2.151 10 30 DEEERN COc1ccc2c(c1)N(C(=O)c1ccc(C#N)n1C)C[C@H](C)O2 ZINC000450019161 405722418 /nfs/dbraw/zinc/72/24/18/405722418.db2.gz UBQADIHCCBOTBH-NSHDSACASA-N 0 0 311.341 2.333 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000457129662 405715072 /nfs/dbraw/zinc/71/50/72/405715072.db2.gz NCSTVWGYURRXQD-LRDDRELGSA-N 0 0 321.446 2.418 10 30 DEEERN COc1ccc(C#N)cc1CN1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528793060 405741222 /nfs/dbraw/zinc/74/12/22/405741222.db2.gz LHDMZOOOGKVDFF-HNNXBMFYSA-N 0 0 310.357 2.400 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CCCCCO3)cc2C1=O ZINC000530362459 405788914 /nfs/dbraw/zinc/78/89/14/405788914.db2.gz JAGZUWGNJUSTMY-UHFFFAOYSA-N 0 0 314.341 2.026 10 30 DEEERN C=C[C@](C)(O)CC(=O)N[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633750178 405819998 /nfs/dbraw/zinc/81/99/98/405819998.db2.gz NLXVFGPIXDMCHG-OCCSQVGLSA-N 0 0 317.307 2.182 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N(CCc1nccs1)C(C)C ZINC000584098826 405823582 /nfs/dbraw/zinc/82/35/82/405823582.db2.gz YMQJQJNSJVXYNX-OLZOCXBDSA-N 0 0 309.435 2.449 10 30 DEEERN Cc1nn(C)cc1CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000450328586 405837622 /nfs/dbraw/zinc/83/76/22/405837622.db2.gz CPNYWFCUVYCYMU-UHFFFAOYSA-N 0 0 320.396 2.459 10 30 DEEERN COc1cc(S(=O)(=O)N(C2CC2)C2(C#N)CCC2)ccc1F ZINC000619751274 405931047 /nfs/dbraw/zinc/93/10/47/405931047.db2.gz QRZCMBMDKPRESZ-UHFFFAOYSA-N 0 0 324.377 2.434 10 30 DEEERN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC000531869257 406017037 /nfs/dbraw/zinc/01/70/37/406017037.db2.gz AMYQNHHOWRCDEU-LBPRGKRZSA-N 0 0 312.435 2.214 10 30 DEEERN C=C[C@H](CC(=O)N1C[C@H](OC)C[C@@]1(C)CO)c1ccccc1 ZINC000634065882 405989688 /nfs/dbraw/zinc/98/96/88/405989688.db2.gz FAJUOVGSXPGFJN-KYJSFNMBSA-N 0 0 303.402 2.345 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1(OC)CCC(C)CC1 ZINC000566139062 406085660 /nfs/dbraw/zinc/08/56/60/406085660.db2.gz WFQOWZQCIVWQCG-GWUWNPHMSA-N 0 0 310.438 2.472 10 30 DEEERN C=CCn1c(Cc2cc(C)[nH]n2)nnc1N1CCCC1(C)C ZINC000634336567 406104478 /nfs/dbraw/zinc/10/44/78/406104478.db2.gz GBROBZVOCYMPEJ-UHFFFAOYSA-N 0 0 300.410 2.465 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](CC)[C@H]1CCCO1 ZINC000636864004 406104716 /nfs/dbraw/zinc/10/47/16/406104716.db2.gz DDSVQUPQKWLMHI-UONOGXRCSA-N 0 0 310.438 2.169 10 30 DEEERN C=CCNC(=O)NC(=O)[C@H](C)N1Cc2ccc(Cl)cc2C1 ZINC000459769750 406039040 /nfs/dbraw/zinc/03/90/40/406039040.db2.gz RXJKYTXLOJXJNY-JTQLQIEISA-N 0 0 307.781 2.056 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCCCNC(=O)c2ccccc2)C1 ZINC000636690884 406056189 /nfs/dbraw/zinc/05/61/89/406056189.db2.gz IOWPMFYGRYBIBS-HNNXBMFYSA-N 0 0 315.417 2.414 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@]2(CCOC2)C1 ZINC000562870451 406056436 /nfs/dbraw/zinc/05/64/36/406056436.db2.gz ANHVLNSYRAKZEH-YQQAZPJKSA-N 0 0 308.422 2.180 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1ccn(C(C)C)n1 ZINC000636706384 406059116 /nfs/dbraw/zinc/05/91/16/406059116.db2.gz UQCSDFXOYMNUGD-UHFFFAOYSA-N 0 0 320.437 2.189 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000459886455 406063958 /nfs/dbraw/zinc/06/39/58/406063958.db2.gz ZZJMXTHYULRITP-OAHLLOKOSA-N 0 0 301.390 2.170 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C)Cc1c(C)noc1C ZINC000636757280 406073761 /nfs/dbraw/zinc/07/37/61/406073761.db2.gz LYEXLIGVRCPHTE-LLVKDONJSA-N 0 0 321.421 2.057 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC2(CCC2)C[C@H]1C ZINC000515713006 406077212 /nfs/dbraw/zinc/07/72/12/406077212.db2.gz ZZPXYQGIXOTCTM-KGLIPLIRSA-N 0 0 318.421 2.321 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)CC(C)(C)OC ZINC000636773597 406077574 /nfs/dbraw/zinc/07/75/74/406077574.db2.gz WSDGXCYIGDOFRO-ZDUSSCGKSA-N 0 0 312.454 2.415 10 30 DEEERN C=CCn1c(-c2cc[nH]n2)nnc1N1CCC(CCF)CC1 ZINC000634340074 406106105 /nfs/dbraw/zinc/10/61/05/406106105.db2.gz AJQNSRKBHVLKOB-UHFFFAOYSA-N 0 0 304.373 2.430 10 30 DEEERN CC(=O)CCCCCNS(=O)(=O)c1ccsc1C#N ZINC000632416043 406128948 /nfs/dbraw/zinc/12/89/48/406128948.db2.gz KPOUPAQGGFZGPX-UHFFFAOYSA-N 0 0 300.405 2.047 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)Cc1ccccn1 ZINC000632421443 406131060 /nfs/dbraw/zinc/13/10/60/406131060.db2.gz LQWVDZRKKRWDIV-UHFFFAOYSA-N 0 0 303.406 2.149 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CCO[C@H](CC)C1 ZINC000636976618 406139312 /nfs/dbraw/zinc/13/93/12/406139312.db2.gz JIDZCBVBARFOLJ-ZIAGYGMSSA-N 0 0 310.438 2.169 10 30 DEEERN C=CCCCCCNC(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000568185850 406206537 /nfs/dbraw/zinc/20/65/37/406206537.db2.gz KISRYEHFDRMALB-MRXNPFEDSA-N 0 0 311.470 2.389 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)CO ZINC000632662225 406218921 /nfs/dbraw/zinc/21/89/21/406218921.db2.gz VWCCQFQSROCQQF-GJZGRUSLSA-N 0 0 324.465 2.105 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000637224379 406219985 /nfs/dbraw/zinc/21/99/85/406219985.db2.gz PGSVFOCELRVKEU-HRCADAONSA-N 0 0 315.417 2.079 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC000569085664 406224417 /nfs/dbraw/zinc/22/44/17/406224417.db2.gz SKKQVDHPANIBJE-DGAVXFQQSA-N 0 0 306.410 2.033 10 30 DEEERN C=C[C@@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000487347737 406224933 /nfs/dbraw/zinc/22/49/33/406224933.db2.gz VMNQLAHWZMJHRC-CYBMUJFWSA-N 0 0 310.375 2.465 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000637321167 406257771 /nfs/dbraw/zinc/25/77/71/406257771.db2.gz SYZASXNVMHVADB-OAHLLOKOSA-N 0 0 315.417 2.471 10 30 DEEERN C=CC(C)(C)CCNC(=O)NC[C@H](O)COc1ccc(F)cc1 ZINC000637320759 406257919 /nfs/dbraw/zinc/25/79/19/406257919.db2.gz QUPSMLCQAWUATF-AWEZNQCLSA-N 0 0 324.396 2.467 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)c2cc[nH]c2C2CCC2)C1=O ZINC000487657688 406254709 /nfs/dbraw/zinc/25/47/09/406254709.db2.gz JIKTVVXEMDHSLY-AWEZNQCLSA-N 0 0 301.390 2.141 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC000637384275 406289642 /nfs/dbraw/zinc/28/96/42/406289642.db2.gz RCLRNJDURTUJBC-CZUORRHYSA-N 0 0 303.406 2.407 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H]1C[C@@H](OC)C1 ZINC000637552276 406344803 /nfs/dbraw/zinc/34/48/03/406344803.db2.gz IPHRADAPDGMTMM-AKAXFMLLSA-N 0 0 322.405 2.285 10 30 DEEERN N#Cc1cccc(-c2cc(C(=O)Nc3cnccc3CO)on2)c1 ZINC000521606964 406356291 /nfs/dbraw/zinc/35/62/91/406356291.db2.gz PITDFRSSOZVSQM-UHFFFAOYSA-N 0 0 320.308 2.353 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000488339549 406311408 /nfs/dbraw/zinc/31/14/08/406311408.db2.gz NXAIHXIPQSKWTA-ZDUSSCGKSA-N 0 0 323.418 2.167 10 30 DEEERN C=CCCCS(=O)(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000489675359 406425394 /nfs/dbraw/zinc/42/53/94/406425394.db2.gz FCHKEUSGXSBMAT-CYBMUJFWSA-N 0 0 320.418 2.214 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCC(N2CN=NC2=O)CC1 ZINC000637620409 406368494 /nfs/dbraw/zinc/36/84/94/406368494.db2.gz FLDHYUYZAWGDOC-UHFFFAOYSA-N 0 0 321.425 2.323 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCC(C)(C)S(C)(=O)=O ZINC000633068752 406370453 /nfs/dbraw/zinc/37/04/53/406370453.db2.gz WEDGKWBLAHPYHW-UHFFFAOYSA-N 0 0 304.456 2.101 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000635259654 406478270 /nfs/dbraw/zinc/47/82/70/406478270.db2.gz GHIVYTVRZMGJAE-UHFFFAOYSA-N 0 0 314.389 2.381 10 30 DEEERN C[C@@H](C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1)n1cnc(C#N)n1 ZINC000524094349 406440055 /nfs/dbraw/zinc/44/00/55/406440055.db2.gz ZNYZUEGVWNQAFF-TVYUQYBPSA-N 0 0 315.764 2.036 10 30 DEEERN C=CCN(CCC#N)S(=O)(=O)c1cnccc1C(F)(F)F ZINC000490126453 406453623 /nfs/dbraw/zinc/45/36/23/406453623.db2.gz NYIAXSREFUCHNW-UHFFFAOYSA-N 0 0 319.308 2.191 10 30 DEEERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCC(C#N)CC1)CC2 ZINC000525999511 406530270 /nfs/dbraw/zinc/53/02/70/406530270.db2.gz NLCASTVVFLFBAY-ZDUSSCGKSA-N 0 0 300.406 2.400 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(OC)c(F)c1 ZINC000572277819 406637317 /nfs/dbraw/zinc/63/73/17/406637317.db2.gz VDGJFWKNLHXUHK-JSGCOSHPSA-N 0 0 308.353 2.225 10 30 DEEERN CC#CCCCC(=O)N[C@@](C)(C(=O)OCC)c1cccnc1 ZINC000572732850 406729442 /nfs/dbraw/zinc/72/94/42/406729442.db2.gz RTSNRRZBEOEUID-QGZVFWFLSA-N 0 0 302.374 2.170 10 30 DEEERN N#CC1CCC(CNC(=O)NCc2cnn3ccccc23)CC1 ZINC000553821944 406775906 /nfs/dbraw/zinc/77/59/06/406775906.db2.gz NMONXNFXBFRLRJ-UHFFFAOYSA-N 0 0 311.389 2.463 10 30 DEEERN C=CCn1c(-c2scnc2C)nnc1N(C)[C@@H]1CCOC1 ZINC000574518669 406784257 /nfs/dbraw/zinc/78/42/57/406784257.db2.gz QFVXVGHHIOCECP-LLVKDONJSA-N 0 0 305.407 2.121 10 30 DEEERN CC1(C)C(c2cccs2)=[N+]([O-])[C@]2(CCCCCC2=O)N1O ZINC000575332770 406806947 /nfs/dbraw/zinc/80/69/47/406806947.db2.gz ZYLAKZISXFGEJC-HFBDAHEESA-N 0 0 309.411 2.057 10 30 DEEERN N#Cc1cc(I)cc(O)c1OC(F)F ZINC000575661290 406816419 /nfs/dbraw/zinc/81/64/19/406816419.db2.gz DJKBGUQIHIUAGC-UHFFFAOYSA-N 0 0 311.025 2.470 10 30 DEEERN CCOC(=O)Cc1cc(OC(F)(F)F)c(C#N)cc1C=O ZINC000575390934 406808834 /nfs/dbraw/zinc/80/88/34/406808834.db2.gz KAAPCFPWHYIDLE-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN CCOC(=O)Cc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1C#N ZINC000575395472 406808891 /nfs/dbraw/zinc/80/88/91/406808891.db2.gz DRVVHEPRMMYQBI-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN CCOC(=O)Cc1c(C#N)cc(OC(F)(F)F)cc1C=O ZINC000575391577 406808944 /nfs/dbraw/zinc/80/89/44/406808944.db2.gz VZFZOLYMIDEOQI-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN CCOC(=O)Cc1c([N+](=O)[O-])ccc(C#N)c1OC(F)F ZINC000575388203 406809039 /nfs/dbraw/zinc/80/90/39/406809039.db2.gz OCVUXGICSXKVFI-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN CCOC(=O)Cc1ccc(OC(F)(F)F)c(C=O)c1C#N ZINC000575391587 406809129 /nfs/dbraw/zinc/80/91/29/406809129.db2.gz WQKZAVLQKMMITR-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCO[C@@H](C(C)C)C1 ZINC000575982895 406828051 /nfs/dbraw/zinc/82/80/51/406828051.db2.gz ABPVURZNXJPZCS-YHUYYLMFSA-N 0 0 310.438 2.328 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000555256857 406838511 /nfs/dbraw/zinc/83/85/11/406838511.db2.gz VZUNROAPGUYRCI-KEYYUXOJSA-N 0 0 320.437 2.325 10 30 DEEERN CC(=O)N1CCN(Cc2nc(C#N)cs2)CC12CCCCC2 ZINC000570505309 292487152 /nfs/dbraw/zinc/48/71/52/292487152.db2.gz QXNQKPUHGRQYNX-UHFFFAOYSA-N 0 0 318.446 2.382 10 30 DEEERN CCCS(=O)(=O)c1ccccc1[C@@](C)(C#N)C(=O)OCC ZINC000128896198 196001790 /nfs/dbraw/zinc/00/17/90/196001790.db2.gz HYUWDMHBOPJEDK-OAHLLOKOSA-N 0 0 309.387 2.215 10 30 DEEERN CNc1ccccc1S(=O)(=O)N(C)c1ccccc1C#N ZINC000129038354 196013920 /nfs/dbraw/zinc/01/39/20/196013920.db2.gz RLHYOCBTSYGRRM-UHFFFAOYSA-N 0 0 301.371 2.425 10 30 DEEERN CN(c1ccccc1C#N)S(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000129038622 196014451 /nfs/dbraw/zinc/01/44/51/196014451.db2.gz PYLAPUKJLYCVRP-UHFFFAOYSA-N 0 0 322.777 2.014 10 30 DEEERN Cc1cccc(C(=O)NCc2sccc2C#CCO)c1F ZINC000132103686 196226551 /nfs/dbraw/zinc/22/65/51/196226551.db2.gz KWXJQTFDXSPACQ-UHFFFAOYSA-N 0 0 303.358 2.469 10 30 DEEERN N#CCc1ccc(S(=O)(=O)Nc2c(N)cccc2F)cc1 ZINC000132322497 196245197 /nfs/dbraw/zinc/24/51/97/196245197.db2.gz RUFBSMSHYSIUOZ-UHFFFAOYSA-N 0 0 305.334 2.275 10 30 DEEERN C=CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000133269745 196325931 /nfs/dbraw/zinc/32/59/31/196325931.db2.gz LLMGDXZTBVLUGT-SECBINFHSA-N 0 0 317.794 2.370 10 30 DEEERN CC[C@H](CSC)NC(=O)c1cc(F)ccc1C#CCCO ZINC000133984957 196351224 /nfs/dbraw/zinc/35/12/24/196351224.db2.gz BQRPZGHNEGXFRL-CQSZACIVSA-N 0 0 309.406 2.431 10 30 DEEERN C=CCn1ncc(NCCc2ccc(O)cc2)c(Cl)c1=O ZINC000134182089 196368781 /nfs/dbraw/zinc/36/87/81/196368781.db2.gz HNAZFAQTFUKRBE-UHFFFAOYSA-N 0 0 305.765 2.443 10 30 DEEERN N#C[C@]1([C@@H](O)c2cccc(Cl)c2Cl)CCS(=O)(=O)C1 ZINC000134628302 196408275 /nfs/dbraw/zinc/40/82/75/196408275.db2.gz HKKLYVSAYYLDPB-NWDGAFQWSA-N 0 0 320.197 2.355 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000135051024 196441283 /nfs/dbraw/zinc/44/12/83/196441283.db2.gz GNQDFUFOJAIIQY-SFHVURJKSA-N 0 0 318.465 2.283 10 30 DEEERN C=C(C)CN(C)S(=O)(=O)c1cc(Cl)cc(CO)c1F ZINC000135326122 196464473 /nfs/dbraw/zinc/46/44/73/196464473.db2.gz VEPCJIQTRLJDIB-UHFFFAOYSA-N 0 0 307.774 2.168 10 30 DEEERN N#CCCN(CCC#N)S(=O)(=O)c1c(F)cccc1Cl ZINC000132443585 224641711 /nfs/dbraw/zinc/64/17/11/224641711.db2.gz QKJKVWQORKDWBX-UHFFFAOYSA-N 0 0 315.757 2.297 10 30 DEEERN N#Cc1ccc(C2(C(=O)Nc3n[nH]c(C(F)(F)F)n3)CC2)cc1 ZINC000188678839 225027597 /nfs/dbraw/zinc/02/75/97/225027597.db2.gz IKUZFPPPIBBASJ-UHFFFAOYSA-N 0 0 321.262 2.365 10 30 DEEERN C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)CC1(CO)CC1 ZINC000188643874 225028273 /nfs/dbraw/zinc/02/82/73/225028273.db2.gz LEZOYPWRKKLRNA-LBPRGKRZSA-N 0 0 303.362 2.214 10 30 DEEERN N#Cc1ccc(C2(C(=O)Nc3ccc4n[nH]nc4c3)CC2)cc1 ZINC000188152221 225009992 /nfs/dbraw/zinc/00/99/92/225009992.db2.gz WSCWQQFGIUPPKT-UHFFFAOYSA-N 0 0 303.325 2.500 10 30 DEEERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)n1 ZINC000191688962 225115299 /nfs/dbraw/zinc/11/52/99/225115299.db2.gz LRFAIDYVPQYCLY-HZMBPMFUSA-N 0 0 305.338 2.013 10 30 DEEERN O=C(NCc1ccco1)[C@H]1CCCN1CC#Cc1ccccc1 ZINC000192023942 225123819 /nfs/dbraw/zinc/12/38/19/225123819.db2.gz BXBFJBWASJZWCK-GOSISDBHSA-N 0 0 308.381 2.412 10 30 DEEERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328856002 225807226 /nfs/dbraw/zinc/80/72/26/225807226.db2.gz XDRTVOZNYBFDOH-NJVJYBDUSA-N 0 0 306.406 2.015 10 30 DEEERN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@H]1CCOC1 ZINC000329114029 225838639 /nfs/dbraw/zinc/83/86/39/225838639.db2.gz LQXBWAUUVVYHQJ-TUAOUCFPSA-N 0 0 307.350 2.160 10 30 DEEERN C[C@@H](NC(=O)N1CCN(C)[C@H](C#N)C1)c1cccc(C2CC2)c1 ZINC000333541972 226107797 /nfs/dbraw/zinc/10/77/97/226107797.db2.gz SFDCVKKYVKFRDO-CXAGYDPISA-N 0 0 312.417 2.474 10 30 DEEERN N#C[C@@H]1CN(C(=O)NCCC2CCCCC2)CCN1C1CC1 ZINC000369233209 227027259 /nfs/dbraw/zinc/02/72/59/227027259.db2.gz ZAQREOUMYFFJHX-MRXNPFEDSA-N 0 0 304.438 2.339 10 30 DEEERN C[C@H](Cc1cccs1)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369233640 227027919 /nfs/dbraw/zinc/02/79/19/227027919.db2.gz WQXFXFDQVISETB-TZMCWYRMSA-N 0 0 318.446 2.061 10 30 DEEERN N#CC1CCC(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000370195022 227047382 /nfs/dbraw/zinc/04/73/82/227047382.db2.gz RRXAFUOHIQRRLH-YMAMQOFZSA-N 0 0 317.433 2.224 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)c2ccoc2C(F)(F)F)C1=O ZINC000290901305 222007605 /nfs/dbraw/zinc/00/76/05/222007605.db2.gz OABZAXBVNUGZCW-SNVBAGLBSA-N 0 0 316.279 2.157 10 30 DEEERN C#Cc1ccccc1CC(=O)N1CC=C(c2ccnn2C)CC1 ZINC000291092744 222130827 /nfs/dbraw/zinc/13/08/27/222130827.db2.gz QTLVJHKRSGWJPN-UHFFFAOYSA-N 0 0 305.381 2.260 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2nnc(C(C)(C)C)s2)C1 ZINC000627735343 421866256 /nfs/dbraw/zinc/86/62/56/421866256.db2.gz QYCJQSCMRCZIIV-SNVBAGLBSA-N 0 0 322.434 2.199 10 30 DEEERN C=CCNc1ncc(C(=O)N2C[C@]3(C)COC[C@]3(C)C2)s1 ZINC000622155380 422536860 /nfs/dbraw/zinc/53/68/60/422536860.db2.gz GCFLBKJAQCOAQP-GASCZTMLSA-N 0 0 307.419 2.240 10 30 DEEERN Cc1cc(C#N)cc(NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000367425366 424868300 /nfs/dbraw/zinc/86/83/00/424868300.db2.gz DENGILSLZIFWBD-KRWDZBQOSA-N 0 0 320.396 2.722 10 30 DEEERN C=CCn1c(Nc2ccn(C)n2)nnc1-c1ccc(C)c(F)c1 ZINC000569349014 424922980 /nfs/dbraw/zinc/92/29/80/424922980.db2.gz VFEVIHLVBDRRSM-UHFFFAOYSA-N 0 0 312.352 3.056 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(-c2ccccc2F)on1 ZINC000562610825 424894034 /nfs/dbraw/zinc/89/40/34/424894034.db2.gz KUQQFHLZUIYRBI-OLZOCXBDSA-N 0 0 317.320 2.946 10 30 DEEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1nn(C2CCCCC2)cc1C ZINC000344493076 424989486 /nfs/dbraw/zinc/98/94/86/424989486.db2.gz XJHZWGHAODWOJZ-CYBMUJFWSA-N 0 0 318.421 2.716 10 30 DEEERN CC1(C)OCC[C@@H]1CNc1ncc(Br)cc1C#N ZINC000596547187 425027085 /nfs/dbraw/zinc/02/70/85/425027085.db2.gz YBBYJYKMFNBADC-SNVBAGLBSA-N 0 0 310.195 2.943 10 30 DEEERN C=CCC1(NC(=O)Nc2nn(C)cc2C(=O)OCC)CCCC1 ZINC000596822966 425029461 /nfs/dbraw/zinc/02/94/61/425029461.db2.gz IZYWABMZVDMVMH-UHFFFAOYSA-N 0 0 320.393 2.607 10 30 DEEERN N#Cc1cc(Cl)ccc1N1CC[C@@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000600879840 425047796 /nfs/dbraw/zinc/04/77/96/425047796.db2.gz KIATYJVXDTZNOH-SECBINFHSA-N 0 0 315.764 2.283 10 30 DEEERN CCOC(=O)CN(CC(C)C)C(=O)Cc1cccc(C#N)c1 ZINC000531148068 267116424 /nfs/dbraw/zinc/11/64/24/267116424.db2.gz CJYHAIDXAXVHIB-UHFFFAOYSA-N 0 0 302.374 2.148 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000177402240 267784489 /nfs/dbraw/zinc/78/44/89/267784489.db2.gz DAAXMKZXCFRFOT-ZFWWWQNUSA-N 0 0 303.406 2.468 10 30 DEEERN CC1(C)CN(c2nccc(C#N)n2)C[C@](C)(C(F)(F)F)O1 ZINC000450542457 276137062 /nfs/dbraw/zinc/13/70/62/276137062.db2.gz HMVYHCOVTVGPFR-GFCCVEGCSA-N 0 0 300.284 2.284 10 30 DEEERN CCOC(=O)[C@]1(C)CCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000154920767 276296126 /nfs/dbraw/zinc/29/61/26/276296126.db2.gz DGNSBXMTCOMDRH-OAHLLOKOSA-N 0 0 303.318 2.246 10 30 DEEERN C#CCCCC(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000192104020 276775354 /nfs/dbraw/zinc/77/53/54/276775354.db2.gz BHSFGIXLEIRCGA-UHFFFAOYSA-N 0 0 304.415 2.226 10 30 DEEERN CN1C(=O)N[C@@H]2CN(c3ccc(C(F)(F)F)cc3C#N)CC[C@@H]21 ZINC000284627019 277017537 /nfs/dbraw/zinc/01/75/37/277017537.db2.gz SGTULFYKWLSIBS-YPMHNXCESA-N 0 0 324.306 2.179 10 30 DEEERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C#Cc1ccccc1 ZINC000176054680 277105333 /nfs/dbraw/zinc/10/53/33/277105333.db2.gz HEYXQDAUXTXDGE-ULQDDVLXSA-N 0 0 311.381 2.371 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc(CCC(=O)OC)cs1 ZINC000362787316 277794065 /nfs/dbraw/zinc/79/40/65/277794065.db2.gz YBRYVIZJVHLHEE-AAEUAGOBSA-N 0 0 324.402 2.168 10 30 DEEERN CC1(C)CN(c2nccc(C#N)n2)C[C@@](C)(C(F)(F)F)O1 ZINC000450542459 278346401 /nfs/dbraw/zinc/34/64/01/278346401.db2.gz HMVYHCOVTVGPFR-LBPRGKRZSA-N 0 0 300.284 2.284 10 30 DEEERN Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)c1 ZINC000453679692 278628785 /nfs/dbraw/zinc/62/87/85/278628785.db2.gz UNHYDWGTYRSVMR-GFCCVEGCSA-N 0 0 321.327 2.499 10 30 DEEERN CC(C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000301150584 278692276 /nfs/dbraw/zinc/69/22/76/278692276.db2.gz OLQRWVXUGFCZJH-ZDUSSCGKSA-N 0 0 316.361 2.207 10 30 DEEERN Cc1c(Cl)cnc(N2CCC[C@]3(CNC(=O)C3)C2)c1C#N ZINC000408182285 280234015 /nfs/dbraw/zinc/23/40/15/280234015.db2.gz IQDZLOWNKAVXGF-HNNXBMFYSA-N 0 0 304.781 2.022 10 30 DEEERN Cc1nc(C(=O)NC2(C(F)(F)F)CCOCC2)ccc1C#N ZINC000359891133 293177209 /nfs/dbraw/zinc/17/72/09/293177209.db2.gz ZVPNEICRBVKWLG-UHFFFAOYSA-N 0 0 313.279 2.103 10 30 DEEERN Cc1cc(C)n([C@@H](C)C(=O)N(CCC#N)CC(F)(F)F)n1 ZINC000080857978 301242187 /nfs/dbraw/zinc/24/21/87/301242187.db2.gz QDYOCOZRUCLWIF-NSHDSACASA-N 0 0 302.300 2.366 10 30 DEEERN Cc1cc(F)c(S(=O)(=O)N[C@H]2CCC[C@H]2C#N)cc1F ZINC000408310239 301297420 /nfs/dbraw/zinc/29/74/20/301297420.db2.gz QZHSWIOSQLSQGE-CABZTGNLSA-N 0 0 300.330 2.244 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CCN1C1CC1 ZINC000363080021 303161980 /nfs/dbraw/zinc/16/19/80/303161980.db2.gz QYUUSPWNMOVPPT-IKGGRYGDSA-N 0 0 313.376 2.128 10 30 DEEERN O=C(N[C@@H]1CCCOc2ccc(F)cc21)N1CC(O)(C2CC2)C1 ZINC000329239675 303510211 /nfs/dbraw/zinc/51/02/11/303510211.db2.gz MDWXDXJZNVXDFP-CQSZACIVSA-N 0 0 320.364 2.410 10 30 DEEERN CC[C@@H](O)CN(CC(=O)N(CC)CCC#N)c1ccccc1 ZINC000170715715 332869934 /nfs/dbraw/zinc/86/99/34/332869934.db2.gz GFLUQKUMJMWHAX-MRXNPFEDSA-N 0 0 303.406 2.026 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@@H](CC)C1CCOCC1 ZINC000569258572 331878463 /nfs/dbraw/zinc/87/84/63/331878463.db2.gz IKPDVKLXJVCDQB-HNNXBMFYSA-N 0 0 310.438 2.170 10 30 DEEERN COc1cc(C)ccc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000363406611 331899150 /nfs/dbraw/zinc/89/91/50/331899150.db2.gz OLANWLNPWLCTRY-AWEZNQCLSA-N 0 0 314.389 2.208 10 30 DEEERN C=CCCCCCNS(=O)(=O)Cc1ccc(C(=O)NC)cc1 ZINC000518397013 332025584 /nfs/dbraw/zinc/02/55/84/332025584.db2.gz MXBPJHQPNWXYRR-UHFFFAOYSA-N 0 0 324.446 2.212 10 30 DEEERN CC(C)C(=O)N(C)Cc1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000119734195 332281443 /nfs/dbraw/zinc/28/14/43/332281443.db2.gz LEAOOWGWDYEEHB-INIZCTEOSA-N 0 0 313.401 2.333 10 30 DEEERN C=CCCCCCNC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000583389687 332382146 /nfs/dbraw/zinc/38/21/46/332382146.db2.gz ULZJEVYUGRGPFM-UHFFFAOYSA-N 0 0 314.407 2.006 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000583392028 332382403 /nfs/dbraw/zinc/38/24/03/332382403.db2.gz RGRFAAQIKNDCCJ-CABCVRRESA-N 0 0 310.438 2.169 10 30 DEEERN N#CC1CCN(Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)CC1 ZINC000057907901 333397886 /nfs/dbraw/zinc/39/78/86/333397886.db2.gz WIEUCFPRTPBUAP-UHFFFAOYSA-N 0 0 314.414 2.209 10 30 DEEERN C=CCN1CC[C@H](N(C)Cc2nc(C)c3ccccc3n2)C1=O ZINC000531701247 333547530 /nfs/dbraw/zinc/54/75/30/333547530.db2.gz QQJYXGUOGCEOQB-INIZCTEOSA-N 0 0 310.401 2.157 10 30 DEEERN C=CC[C@@H](CC)NC(=O)CCC(=O)Nc1nnc(C2CC2)o1 ZINC000343761959 335191265 /nfs/dbraw/zinc/19/12/65/335191265.db2.gz CFVLVFQPQOHKDY-LLVKDONJSA-N 0 0 306.366 2.137 10 30 DEEERN C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000344163619 335226484 /nfs/dbraw/zinc/22/64/84/335226484.db2.gz VZEQFAOGTSUECB-HZPDHXFCSA-N 0 0 323.481 2.075 10 30 DEEERN C=CCNC(=O)CNC(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000348228025 335564629 /nfs/dbraw/zinc/56/46/29/335564629.db2.gz IGHRBZUEEWLBRZ-UHFFFAOYSA-N 0 0 321.425 2.086 10 30 DEEERN C=CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](COC)CC1 ZINC000563936980 336387021 /nfs/dbraw/zinc/38/70/21/336387021.db2.gz OIOQXAWSRGONIS-GJZGRUSLSA-N 0 0 320.437 2.221 10 30 DEEERN C=CCCCCCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000563976498 336389357 /nfs/dbraw/zinc/38/93/57/336389357.db2.gz PVYBZUHQGMMXHH-UHFFFAOYSA-N 0 0 313.379 2.401 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@@H]2CSc3ccccc32)CCN1C1CC1 ZINC000361477665 336758232 /nfs/dbraw/zinc/75/82/32/336758232.db2.gz JNRJOOHOGCWBRH-UKRRQHHQSA-N 0 0 313.426 2.075 10 30 DEEERN CCC(C#N)(CC)C(=O)NCc1nn(C)cc1Br ZINC000393641263 337093267 /nfs/dbraw/zinc/09/32/67/337093267.db2.gz IWQBAYOUEYUEJN-UHFFFAOYSA-N 0 0 313.199 2.129 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000582467244 337093603 /nfs/dbraw/zinc/09/36/03/337093603.db2.gz KIZSYQPCAOGRMU-BJJXKVORSA-N 0 0 312.373 2.036 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCO[C@]2(CCSC2)C1 ZINC000582603977 337112482 /nfs/dbraw/zinc/11/24/82/337112482.db2.gz HIHFKSIVGMJEMA-GDBMZVCRSA-N 0 0 312.479 2.007 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1COc2c(C)cccc2C1 ZINC000584407302 337319312 /nfs/dbraw/zinc/31/93/12/337319312.db2.gz GQENBSRRINAABR-XHSDSOJGSA-N 0 0 316.401 2.189 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N(C)[C@H](C)c1cccnc1 ZINC000583763194 337331419 /nfs/dbraw/zinc/33/14/19/337331419.db2.gz SMQCPVYEVWCNQC-CQSZACIVSA-N 0 0 303.406 2.464 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1COc2ccc(F)cc2C1 ZINC000583809008 337335985 /nfs/dbraw/zinc/33/59/85/337335985.db2.gz ZBDNMMPWASRHNT-GLQYFDAESA-N 0 0 320.364 2.020 10 30 DEEERN CC(C)(O)C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1 ZINC000584617967 337373143 /nfs/dbraw/zinc/37/31/43/337373143.db2.gz YHNWTVIQGWRQRY-UHFFFAOYSA-N 0 0 319.364 2.247 10 30 DEEERN CC[C@](C)(C#N)C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000505235259 340164564 /nfs/dbraw/zinc/16/45/64/340164564.db2.gz HNISWLCWEHGULK-QGZVFWFLSA-N 0 0 320.437 2.113 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1c(C)nn(COC)c1C ZINC000517040785 340462331 /nfs/dbraw/zinc/46/23/31/340462331.db2.gz YDRKZEGXBCRVPX-UHFFFAOYSA-N 0 0 315.439 2.129 10 30 DEEERN CC(C)[C@@](C)(C#N)NC(=O)CCc1ccc2c(c1)OCCO2 ZINC000194416749 340592159 /nfs/dbraw/zinc/59/21/59/340592159.db2.gz XVJYGZGMHYGMBL-QGZVFWFLSA-N 0 0 302.374 2.445 10 30 DEEERN C=CCC1(C(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CCCC1 ZINC000530051623 340778707 /nfs/dbraw/zinc/77/87/07/340778707.db2.gz WRAZHRIGHYXMTR-KGLIPLIRSA-N 0 0 311.447 2.301 10 30 DEEERN C=CCNC(=O)N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000128312726 340871480 /nfs/dbraw/zinc/87/14/80/340871480.db2.gz MOARZQVARAHHMA-CYBMUJFWSA-N 0 0 319.405 2.476 10 30 DEEERN C[C@H]1Cc2cc(S(=O)(=O)NC(C)(C)C#N)cc(Cl)c2O1 ZINC000543637238 341052018 /nfs/dbraw/zinc/05/20/18/341052018.db2.gz CTLBREBMZAXSCT-QMMMGPOBSA-N 0 0 314.794 2.244 10 30 DEEERN CC(C)(C#N)NS(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000548698507 341269729 /nfs/dbraw/zinc/26/97/29/341269729.db2.gz JHWRNOFYROJIGJ-UHFFFAOYSA-N 0 0 310.272 2.425 10 30 DEEERN C=CCn1c(-c2ccccn2)nnc1N1CCO[C@H](C2CC2)C1 ZINC000548851159 341278080 /nfs/dbraw/zinc/27/80/80/341278080.db2.gz JGAPFWUGVNWKHZ-HNNXBMFYSA-N 0 0 311.389 2.141 10 30 DEEERN CC(C)(C#N)CCS(=O)(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000549720035 341301264 /nfs/dbraw/zinc/30/12/64/341301264.db2.gz GJFPKCPXVTZLPE-UHFFFAOYSA-N 0 0 319.390 2.153 10 30 DEEERN C=CCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](C#N)C1 ZINC000554618570 341459773 /nfs/dbraw/zinc/45/97/73/341459773.db2.gz SDXFJWUDQJOHMG-MRXNPFEDSA-N 0 0 323.400 2.092 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1-c1nnc(C)o1 ZINC000567695353 341628201 /nfs/dbraw/zinc/62/82/01/341628201.db2.gz CNXQJBYEVGZFSM-WFASDCNBSA-N 0 0 313.357 2.366 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCc2cc(N)ccc21 ZINC000574053519 341747183 /nfs/dbraw/zinc/74/71/83/341747183.db2.gz DKKLVAIEABBYFN-RCBQFDQVSA-N 0 0 301.390 2.146 10 30 DEEERN C=CCOc1ccccc1C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000172431282 341798979 /nfs/dbraw/zinc/79/89/79/341798979.db2.gz BOCYFZYGHQQUOD-CHWSQXEVSA-N 0 0 302.374 2.025 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC000580537566 341806325 /nfs/dbraw/zinc/80/63/25/341806325.db2.gz WDMSNGMIFDWCBH-MJBXVCDLSA-N 0 0 306.410 2.177 10 30 DEEERN CC(C)N(CCc1nccs1)S(=O)(=O)CC1(C#N)CC1 ZINC000166147801 500615155 /nfs/dbraw/zinc/61/51/55/500615155.db2.gz LQTKXXLYKQSBEW-UHFFFAOYSA-N 0 0 313.448 2.030 10 30 DEEERN C[C@H](NC(=O)NCc1cnnn1C)C12CC3CC(CC(C3)C1)C2 ZINC000329414928 534188382 /nfs/dbraw/zinc/18/83/82/534188382.db2.gz CTZPUZPJSMRANV-GVMDUPDNSA-N 0 0 317.437 2.424 10 30 DEEERN C=CCn1c(N(C)CCCCCO)nnc1[C@@]1(C)CCCO1 ZINC000453441321 534443006 /nfs/dbraw/zinc/44/30/06/534443006.db2.gz OBTASOKRKXPHDL-MRXNPFEDSA-N 0 0 308.426 2.089 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)NCCNC(=O)c1ccccc1 ZINC000494207980 534547941 /nfs/dbraw/zinc/54/79/41/534547941.db2.gz HXVUHNHYZKVEPA-OAHLLOKOSA-N 0 0 301.390 2.167 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000454748854 534602906 /nfs/dbraw/zinc/60/29/06/534602906.db2.gz AXZPKCOGCCVCMV-SUHUHFCYSA-N 0 0 305.334 2.299 10 30 DEEERN Cc1nc([C@H]2CCCN2CC(=O)N[C@@](C)(C#N)C2CC2)cs1 ZINC000189791804 534608264 /nfs/dbraw/zinc/60/82/64/534608264.db2.gz YPLRARLGKUQYBX-ZBFHGGJFSA-N 0 0 318.446 2.397 10 30 DEEERN N#CCSCC(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000189143175 534700766 /nfs/dbraw/zinc/70/07/66/534700766.db2.gz QPPWYHHSGRKDDB-UHFFFAOYSA-N 0 0 323.849 2.071 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1C[C@H](OCC)[C@@H]1n1cccn1 ZINC000455091975 534702845 /nfs/dbraw/zinc/70/28/45/534702845.db2.gz CJYWNZMVNDUZGW-QLFBSQMISA-N 0 0 306.410 2.209 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000456777614 534788746 /nfs/dbraw/zinc/78/87/46/534788746.db2.gz NHKLEFSWBQSROW-DOTOQJQBSA-N 0 0 316.401 2.405 10 30 DEEERN COc1ccc([C@@H](NC(=O)Cn2ccnc2C#N)C(C)C)cc1 ZINC000124027223 525195810 /nfs/dbraw/zinc/19/58/10/525195810.db2.gz YNYOBRAKEYPKAV-KRWDZBQOSA-N 0 0 312.373 2.277 10 30 DEEERN C[C@@H]1C[C@@H](O)C[C@H](C)N1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000249013050 525281452 /nfs/dbraw/zinc/28/14/52/525281452.db2.gz IVZVRMCDKADUHA-GNXNZQSNSA-N 0 0 321.808 2.384 10 30 DEEERN C=CCNC(=O)CNC(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000454775646 534858263 /nfs/dbraw/zinc/85/82/63/534858263.db2.gz QSMDSFNTSVRWNU-CQSZACIVSA-N 0 0 323.343 2.114 10 30 DEEERN C=CCN(CCOC)C(=O)[C@@H](C)Cn1ncc2ccccc21 ZINC000341606895 526294351 /nfs/dbraw/zinc/29/43/51/526294351.db2.gz CHFKYHQQPXEFSL-AWEZNQCLSA-N 0 0 301.390 2.333 10 30 DEEERN C=CCN(CCOC)C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000191962369 526294767 /nfs/dbraw/zinc/29/47/67/526294767.db2.gz VPDFGXBAPBSEPY-GJZGRUSLSA-N 0 0 317.385 2.222 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cnn(CC)n1 ZINC000292716074 526340355 /nfs/dbraw/zinc/34/03/55/526340355.db2.gz AEIQJQHZFPQJPB-UHFFFAOYSA-N 0 0 300.362 2.135 10 30 DEEERN CC(=O)CN(CC(C)C)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000421889708 526433684 /nfs/dbraw/zinc/43/36/84/526433684.db2.gz NFEIEODMFIXNAN-CQSZACIVSA-N 0 0 302.374 2.399 10 30 DEEERN CC(=O)N(C)c1cccc(NC(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000330530193 526478872 /nfs/dbraw/zinc/47/88/72/526478872.db2.gz AJYZLOUCAJUOBE-LBPRGKRZSA-N 0 0 318.377 2.462 10 30 DEEERN C=C(C)CN(C)S(=O)(=O)c1cc(C(=O)OC)cc(F)c1C ZINC000351491021 526504205 /nfs/dbraw/zinc/50/42/05/526504205.db2.gz HXALJGDGGFEUBB-UHFFFAOYSA-N 0 0 315.366 2.117 10 30 DEEERN C=C(C)CNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000342274756 526617481 /nfs/dbraw/zinc/61/74/81/526617481.db2.gz PLIUAQVTTNNNHA-HIFRSBDPSA-N 0 0 301.390 2.051 10 30 DEEERN C=C(C)COCCNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000136161881 526648690 /nfs/dbraw/zinc/64/86/90/526648690.db2.gz VKEHRNCXSHJZQQ-HUUCEWRRSA-N 0 0 317.385 2.270 10 30 DEEERN CC(=O)N1CC[C@H](C(=O)NC[C@@H]2Cc3ccccc3N(C)C2)C1 ZINC000329963819 526654374 /nfs/dbraw/zinc/65/43/74/526654374.db2.gz QBYCRXUQSYOPFI-HOCLYGCPSA-N 0 0 315.417 2.120 10 30 DEEERN C#CCC(CC#C)C(=O)N1CC(O)(c2ccc(Cl)cc2)C1 ZINC000377234587 526670046 /nfs/dbraw/zinc/67/00/46/526670046.db2.gz CHWWXDWQKFXVLJ-UHFFFAOYSA-N 0 0 301.773 2.033 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(OCCOC)c(F)c1 ZINC000278950319 526674471 /nfs/dbraw/zinc/67/44/71/526674471.db2.gz VOSNEQZITIPECN-UHFFFAOYSA-N 0 0 303.333 2.452 10 30 DEEERN C#CCCCCC(=O)N1CCC(c2nc(N(C)C)no2)CC1 ZINC000191953202 526685319 /nfs/dbraw/zinc/68/53/19/526685319.db2.gz RVMGWBLUGWASLD-UHFFFAOYSA-N 0 0 304.394 2.035 10 30 DEEERN C#CCCCCC(=O)N1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000194502185 526685371 /nfs/dbraw/zinc/68/53/71/526685371.db2.gz ZYJLFTZABNUUHN-ZDUSSCGKSA-N 0 0 304.394 2.035 10 30 DEEERN C#CCCCCNC(=O)N1CCO[C@@H](c2nc(C)cs2)C1 ZINC000194321211 526699707 /nfs/dbraw/zinc/69/97/07/526699707.db2.gz BZBSONPGJMRQAQ-CYBMUJFWSA-N 0 0 307.419 2.338 10 30 DEEERN C#CCCCNC(=O)N1CC(Cc2cc(OC)cc(OC)c2)C1 ZINC000371918723 526709225 /nfs/dbraw/zinc/70/92/25/526709225.db2.gz NMWKLTPTDAODKN-UHFFFAOYSA-N 0 0 316.401 2.301 10 30 DEEERN C=C(C)Cn1c(-c2ncccc2C)nnc1N(C)CCOC ZINC000338790527 526720296 /nfs/dbraw/zinc/72/02/96/526720296.db2.gz WXSSIZFRPARWCP-UHFFFAOYSA-N 0 0 301.394 2.307 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCC(Oc2cnccn2)CC1)OCC ZINC000373299929 526742885 /nfs/dbraw/zinc/74/28/85/526742885.db2.gz PYYHRFKPEPGQBA-OAHLLOKOSA-N 0 0 319.405 2.218 10 30 DEEERN C=CCOCCCC(=O)Nc1cn(C)nc1-c1ccccn1 ZINC000374567650 526744957 /nfs/dbraw/zinc/74/49/57/526744957.db2.gz DXEBSVUXPQVGQK-UHFFFAOYSA-N 0 0 300.362 2.403 10 30 DEEERN N#Cc1ccsc1C(=O)NCc1cccc(-n2cncn2)c1 ZINC000364565725 526767303 /nfs/dbraw/zinc/76/73/03/526767303.db2.gz WGUWIMYHHNQPKZ-UHFFFAOYSA-N 0 0 309.354 2.130 10 30 DEEERN C=CCOCCNC(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000368079709 526775568 /nfs/dbraw/zinc/77/55/68/526775568.db2.gz URHJUSPFBPMEPU-INIZCTEOSA-N 0 0 303.406 2.475 10 30 DEEERN C=CCOCCNC(=O)N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000371643208 526778358 /nfs/dbraw/zinc/77/83/58/526778358.db2.gz UWSUJOFELHGBIT-JSGCOSHPSA-N 0 0 310.419 2.422 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)NC[C@H](CO)C1CC1 ZINC000358346042 526828301 /nfs/dbraw/zinc/82/83/01/526828301.db2.gz YCVXXMYQRZQRJG-CYBMUJFWSA-N 0 0 305.374 2.008 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC1CCC(OC)CC1 ZINC000437935055 526846260 /nfs/dbraw/zinc/84/62/60/526846260.db2.gz RFRDZJMOGIUHJO-BHDPWAOGSA-N 0 0 310.438 2.472 10 30 DEEERN C=CCC(F)(F)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000292864756 527036317 /nfs/dbraw/zinc/03/63/17/527036317.db2.gz UDGGUCVYZSSZQI-JTQLQIEISA-N 0 0 317.357 2.479 10 30 DEEERN C=CC[C@@H](CC)NC(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC000417490391 527048489 /nfs/dbraw/zinc/04/84/89/527048489.db2.gz REPJYOYEEQRVLI-IAQYHMDHSA-N 0 0 303.362 2.388 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CCC1 ZINC000188082472 527057874 /nfs/dbraw/zinc/05/78/74/527057874.db2.gz GVAFXTSGVQIVID-CQSZACIVSA-N 0 0 302.422 2.252 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@@H](OC)c1ccc(Cl)cc1 ZINC000341605922 527089206 /nfs/dbraw/zinc/08/92/06/527089206.db2.gz ZXWUBFZYSFTKRW-UONOGXRCSA-N 0 0 312.797 2.264 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000183854063 527094277 /nfs/dbraw/zinc/09/42/77/527094277.db2.gz BMEDIEWUUNHZHB-JSGCOSHPSA-N 0 0 308.353 2.276 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1c[nH]nc1-c1c(F)cccc1F ZINC000185808941 527098033 /nfs/dbraw/zinc/09/80/33/527098033.db2.gz GAFMGXIMLFQXNG-VIFPVBQESA-N 0 0 307.300 2.022 10 30 DEEERN C=CC[C@@H](CO)Nc1ccc2nnc(-c3ccccc3F)n2n1 ZINC000302162648 527103608 /nfs/dbraw/zinc/10/36/08/527103608.db2.gz YVWPOVGDIYCFGB-NSHDSACASA-N 0 0 313.336 2.279 10 30 DEEERN C=CC[C@H](C)NC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000342071014 527133135 /nfs/dbraw/zinc/13/31/35/527133135.db2.gz CYONYVMCXQKSBG-LZWOXQAQSA-N 0 0 315.417 2.440 10 30 DEEERN C#CCOc1ccccc1NC(=O)N1CCC12CCOCC2 ZINC000373131299 527133129 /nfs/dbraw/zinc/13/31/29/527133129.db2.gz QTSGNTRLJSVALZ-UHFFFAOYSA-N 0 0 300.358 2.485 10 30 DEEERN C=CC[C@H](C)NC(=O)c1nc2ccc(Br)cn2n1 ZINC000414397703 527138058 /nfs/dbraw/zinc/13/80/58/527138058.db2.gz IDNMRELBHZQVCC-QMMMGPOBSA-N 0 0 309.167 2.186 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCCOc1ccccc1C ZINC000342177080 527176104 /nfs/dbraw/zinc/17/61/04/527176104.db2.gz HHUYPIFHUFTOET-UHFFFAOYSA-N 0 0 318.417 2.305 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@@H]1CC12CCSCC2 ZINC000422589021 527177066 /nfs/dbraw/zinc/17/70/66/527177066.db2.gz IMLKUGQXGHHVPK-ZDUSSCGKSA-N 0 0 310.463 2.061 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cccc(C(=O)N(C)CC)c1 ZINC000341396774 527194470 /nfs/dbraw/zinc/19/44/70/527194470.db2.gz CARSDIXSNHROTO-UHFFFAOYSA-N 0 0 324.446 2.365 10 30 DEEERN C=CCCCN(C)c1nnc(CNC(=O)c2cccs2)n1C ZINC000337651027 527195216 /nfs/dbraw/zinc/19/52/16/527195216.db2.gz BCOKWSUBWMCBPC-UHFFFAOYSA-N 0 0 319.434 2.209 10 30 DEEERN C=CCCCN(C)c1nnc(COCC)n1C[C@@H]1CCCO1 ZINC000339023152 527195970 /nfs/dbraw/zinc/19/59/70/527195970.db2.gz YFTYZXFKEWJKGR-AWEZNQCLSA-N 0 0 308.426 2.396 10 30 DEEERN C=CCCCNC(=O)C(=O)N1CCC[C@@H]1c1csc(C)n1 ZINC000288544314 527203177 /nfs/dbraw/zinc/20/31/77/527203177.db2.gz IGSWFTXEEZMEMB-CYBMUJFWSA-N 0 0 307.419 2.197 10 30 DEEERN C=CCc1ccc(OCC(=O)N2CC[C@@]23CCOC3)c(OC)c1 ZINC000422094141 527249602 /nfs/dbraw/zinc/24/96/02/527249602.db2.gz SJVPQXWKYKOFQP-SFHVURJKSA-N 0 0 317.385 2.194 10 30 DEEERN C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC000337818641 527270206 /nfs/dbraw/zinc/27/02/06/527270206.db2.gz QGECWFMPZZKXKQ-CYBMUJFWSA-N 0 0 323.404 2.187 10 30 DEEERN C=CCn1c(CC(C)(C)C)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000351113872 527310186 /nfs/dbraw/zinc/31/01/86/527310186.db2.gz IUQINKHBUMBFGM-QWHCGFSZSA-N 0 0 319.453 2.143 10 30 DEEERN C=CCCN(C)C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000342009851 527313847 /nfs/dbraw/zinc/31/38/47/527313847.db2.gz BZDNDGWPLABQDS-LLVKDONJSA-N 0 0 308.328 2.352 10 30 DEEERN C=CCCN(C)c1ncc(C(=O)N2CCOCC2)cc1Cl ZINC000341358948 527323997 /nfs/dbraw/zinc/32/39/97/527323997.db2.gz CUCOXKSSPBWGTI-UHFFFAOYSA-N 0 0 309.797 2.220 10 30 DEEERN C=CCn1c(N(C[C@@H]2CCC(=O)N2)C(C)C)nnc1C(C)(C)C ZINC000414518589 527329348 /nfs/dbraw/zinc/32/93/48/527329348.db2.gz VMJVNMJWBGSXEB-ZDUSSCGKSA-N 0 0 319.453 2.255 10 30 DEEERN CC(=O)c1cccc(CN2CCN(c3ncccc3C#N)CC2)c1 ZINC000296649442 527354984 /nfs/dbraw/zinc/35/49/84/527354984.db2.gz XFBABVDARPKUBE-UHFFFAOYSA-N 0 0 320.396 2.478 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000373881051 527401683 /nfs/dbraw/zinc/40/16/83/527401683.db2.gz LRQXPCLYWOUTHP-OAGGEKHMSA-N 0 0 322.449 2.265 10 30 DEEERN C=CCCS(=O)(=O)N1CCC[C@H]1COc1cccnc1C ZINC000416674460 527408228 /nfs/dbraw/zinc/40/82/28/527408228.db2.gz VWHBSTUVUZUCRD-AWEZNQCLSA-N 0 0 310.419 2.139 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)N[C@H](C)c1noc(COCC)n1 ZINC000360450816 527451757 /nfs/dbraw/zinc/45/17/57/527451757.db2.gz XMRFTBKVEBBKET-VXGBXAGGSA-N 0 0 308.382 2.417 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000412951619 527488741 /nfs/dbraw/zinc/48/87/41/527488741.db2.gz OXDUNCSICRZJIS-BMFZPTHFSA-N 0 0 304.365 2.112 10 30 DEEERN C=CCC[C@H]1NC(=O)N(CCCc2nc(C(C)C)no2)C1=O ZINC000419956226 527495525 /nfs/dbraw/zinc/49/55/25/527495525.db2.gz UDGBJSJPLUZZRL-LLVKDONJSA-N 0 0 306.366 2.012 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N[C@@H]1COc2ccc(F)cc2C1 ZINC000292953026 527533520 /nfs/dbraw/zinc/53/35/20/527533520.db2.gz HGRYCFSJSKAJQC-YOEHRIQHSA-N 0 0 307.365 2.474 10 30 DEEERN C=C[C@@](C)(O)CC(=O)NC[C@H](CC(C)C)C(=O)OC(C)(C)C ZINC000424942546 527546082 /nfs/dbraw/zinc/54/60/82/527546082.db2.gz AJBWEXROYRTZIT-SUMWQHHRSA-N 0 0 313.438 2.434 10 30 DEEERN CC(C)C(CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(C)C ZINC000373093516 527580692 /nfs/dbraw/zinc/58/06/92/527580692.db2.gz WLSVYKAVTLRPLK-OAHLLOKOSA-N 0 0 306.454 2.296 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000434037109 527616063 /nfs/dbraw/zinc/61/60/63/527616063.db2.gz PDVXLYWIOQKVFV-MBNYWOFBSA-N 0 0 323.355 2.377 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000193121197 527638931 /nfs/dbraw/zinc/63/89/31/527638931.db2.gz WQGJHNZHTQNWRZ-OAHLLOKOSA-N 0 0 314.385 2.197 10 30 DEEERN CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000408333425 527642280 /nfs/dbraw/zinc/64/22/80/527642280.db2.gz DYHILDATLHTPFY-YNEHKIRRSA-N 0 0 323.462 2.133 10 30 DEEERN CCC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)CCO1 ZINC000328846800 527766747 /nfs/dbraw/zinc/76/67/47/527766747.db2.gz AMUPIPNOQSGNFL-UMVBOHGHSA-N 0 0 309.410 2.299 10 30 DEEERN CCCC(=O)N1CCC[C@@H](C(=O)N2CCC(C)(C#N)CC2)C1 ZINC000356970557 527890169 /nfs/dbraw/zinc/89/01/69/527890169.db2.gz JCKVOXTWHWDVOV-CQSZACIVSA-N 0 0 305.422 2.177 10 30 DEEERN CCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc2c(c1)COC2 ZINC000330348876 528381854 /nfs/dbraw/zinc/38/18/54/528381854.db2.gz JFYCNNVNQYXYHO-CQSZACIVSA-N 0 0 320.414 2.485 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)CSc1nc(C2CC2)cc(=O)[nH]1 ZINC000195078892 528627142 /nfs/dbraw/zinc/62/71/42/528627142.db2.gz CQVRELPQUBOFCX-JTQLQIEISA-N 0 0 320.418 2.160 10 30 DEEERN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC000329279288 528747360 /nfs/dbraw/zinc/74/73/60/528747360.db2.gz LPPRUJKOQXKXAH-NSHDSACASA-N 0 0 311.349 2.063 10 30 DEEERN CC[C@H]1CCN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000294092355 529240865 /nfs/dbraw/zinc/24/08/65/529240865.db2.gz RIUHXAVBVJVAKW-ZDUSSCGKSA-N 0 0 302.378 2.082 10 30 DEEERN CCCc1noc(C[S@@](=O)Cc2ccc(C#N)c(F)c2)n1 ZINC000190762399 535563219 /nfs/dbraw/zinc/56/32/19/535563219.db2.gz HYYVPVSMXWDUBU-NRFANRHFSA-N 0 0 307.350 2.482 10 30 DEEERN CCN(C[C@H](C)C#N)S(=O)(=O)NCC1CCCCCC1 ZINC000451812662 535775037 /nfs/dbraw/zinc/77/50/37/535775037.db2.gz PDDVSAKBXRUSQU-CYBMUJFWSA-N 0 0 301.456 2.273 10 30 DEEERN CC[C@@](C)(O)CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000359248266 536008357 /nfs/dbraw/zinc/00/83/57/536008357.db2.gz BNUQJLVVTSVNBI-NVXWUHKLSA-N 0 0 304.390 2.239 10 30 DEEERN CO[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[C@H]1C ZINC000251439200 536734971 /nfs/dbraw/zinc/73/49/71/536734971.db2.gz BADVMXNBIZDBLQ-IUODEOHRSA-N 0 0 312.373 2.465 10 30 DEEERN COc1cc(CNC(=O)c2ccnc(C#N)c2)c2ccccc2n1 ZINC000193369959 536794138 /nfs/dbraw/zinc/79/41/38/536794138.db2.gz CSNVCWTXVBKDQP-UHFFFAOYSA-N 0 0 318.336 2.440 10 30 DEEERN CO[C@@H](C)[C@H](C)NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000376402286 536885751 /nfs/dbraw/zinc/88/57/51/536885751.db2.gz SOPVSKXLRAYYIG-HEHGZKQESA-N 0 0 317.389 2.065 10 30 DEEERN CO[C@@H](C)[C@H](C)NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000376402287 536885861 /nfs/dbraw/zinc/88/58/61/536885861.db2.gz SOPVSKXLRAYYIG-XEZPLFJOSA-N 0 0 317.389 2.065 10 30 DEEERN COc1ccnc(COC(=O)[C@@H](C)Oc2ccccc2C#N)c1 ZINC000102149499 649945161 /nfs/dbraw/zinc/94/51/61/649945161.db2.gz JOTALOVXVVCODD-GFCCVEGCSA-N 0 0 312.325 2.473 10 30 DEEERN CCc1ccccc1OCC(=O)OCC1(C#N)CCOCC1 ZINC000183991873 625324181 /nfs/dbraw/zinc/32/41/81/625324181.db2.gz JAJJYJMTGOKFIP-UHFFFAOYSA-N 0 0 303.358 2.491 10 30 DEEERN C#Cc1cncc(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)c1 ZINC000807167521 622765120 /nfs/dbraw/zinc/76/51/20/622765120.db2.gz DOCVKWHBAGIPTL-UHFFFAOYSA-N 0 0 314.366 2.027 10 30 DEEERN C#CCNC(=O)c1ccc(N[C@@H](CC#C)Cc2ccccc2)nc1 ZINC000804807638 623250704 /nfs/dbraw/zinc/25/07/04/623250704.db2.gz JGMWWMDRFKDXSU-SFHVURJKSA-N 0 0 317.392 2.491 10 30 DEEERN COc1ccc(O)c(/C=N\[C@H]2CCCN(c3ncccn3)C2)c1 ZINC000255753803 625649665 /nfs/dbraw/zinc/64/96/65/625649665.db2.gz IRDOBJAYAVHCMV-GNKPEBMXSA-N 0 0 312.373 2.279 10 30 DEEERN CCOc1ccc(CCC(=O)[C@@H](C#N)C(=O)N2CCCC2)cc1 ZINC000121168731 623714490 /nfs/dbraw/zinc/71/44/90/623714490.db2.gz ZTQFDQAVWCMBOI-MRXNPFEDSA-N 0 0 314.385 2.349 10 30 DEEERN C=C[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 ZINC000187615048 623751234 /nfs/dbraw/zinc/75/12/34/623751234.db2.gz QGTIGHQOJLYYNO-SNVBAGLBSA-N 0 0 313.375 2.104 10 30 DEEERN COc1ccccc1[C@@H](O)CNC(=O)/C=C/c1ccccc1C#N ZINC000177656729 625049907 /nfs/dbraw/zinc/04/99/07/625049907.db2.gz TXOXXXVGHSXUOG-DVQDXYAYSA-N 0 0 322.364 2.430 10 30 DEEERN Cn1nccc1CCNc1ncc(Br)cc1C#N ZINC000311058207 625237016 /nfs/dbraw/zinc/23/70/16/625237016.db2.gz WIOHPEKKFGOVAP-UHFFFAOYSA-N 0 0 306.167 2.104 10 30 DEEERN C#CC[C@@H](OC(=O)[C@@H](C)NC(=O)c1ccco1)c1ccccn1 ZINC000073294479 632998236 /nfs/dbraw/zinc/99/82/36/632998236.db2.gz XYOYZDUQMUBTMD-TZMCWYRMSA-N 0 0 312.325 2.101 10 30 DEEERN C=C(COC(=O)c1oc2ccccc2c1CO)C(=O)OCC ZINC000734028809 633312767 /nfs/dbraw/zinc/31/27/67/633312767.db2.gz DONAIYHDEOCNTB-UHFFFAOYSA-N 0 0 304.298 2.201 10 30 DEEERN C=C(COC(=O)c1cnn(-c2ccccc2F)c1)C(=O)OCC ZINC000734028081 633313223 /nfs/dbraw/zinc/31/32/23/633313223.db2.gz DUHSWFBEEBCIPX-UHFFFAOYSA-N 0 0 318.304 2.288 10 30 DEEERN C=C(COC(=O)c1ccc(Br)cn1)C(=O)OCC ZINC000734029992 633313654 /nfs/dbraw/zinc/31/36/54/633313654.db2.gz PCPBKBZRHJTKFH-UHFFFAOYSA-N 0 0 314.135 2.120 10 30 DEEERN C=C(COC(=O)[C@H]1C[C@H]1c1cccc(OC)c1)C(=O)OCC ZINC000734033774 633314312 /nfs/dbraw/zinc/31/43/12/633314312.db2.gz WELJAPHHFCUZAM-GJZGRUSLSA-N 0 0 304.342 2.461 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)C[C@H](C)c2cccnc2)c1 ZINC000734423276 633369631 /nfs/dbraw/zinc/36/96/31/633369631.db2.gz KSFZVUGYWALBHZ-AWEZNQCLSA-N 0 0 321.380 2.311 10 30 DEEERN C=CC[C@H](NC(=O)Nc1cnn(CCOC)c1)c1ccncc1 ZINC000734514954 633377369 /nfs/dbraw/zinc/37/73/69/633377369.db2.gz FFOVMRWYFQWWFP-HNNXBMFYSA-N 0 0 315.377 2.363 10 30 DEEERN C=C(COC(=O)c1cccc(-n2cccn2)c1)C(=O)OCC ZINC000735156046 633482015 /nfs/dbraw/zinc/48/20/15/633482015.db2.gz ZMGCLGVOIGSIPK-UHFFFAOYSA-N 0 0 300.314 2.148 10 30 DEEERN N#CCOc1ccc(Cl)cc1CN1CCCC[C@H]1C(N)=O ZINC000735306478 633500225 /nfs/dbraw/zinc/50/02/25/633500225.db2.gz NYPYGGXYPSLCMR-ZDUSSCGKSA-N 0 0 307.781 2.082 10 30 DEEERN CC(=O)NC(C)(C)C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735348403 633504081 /nfs/dbraw/zinc/50/40/81/633504081.db2.gz DGMYJCUMCITFDB-UHFFFAOYSA-N 0 0 324.764 2.200 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cc3cc(F)ccc3o2)CCN1C1CC1 ZINC000735441030 633509092 /nfs/dbraw/zinc/50/90/92/633509092.db2.gz TXQPSXAJCZVNDI-CQSZACIVSA-N 0 0 313.332 2.384 10 30 DEEERN C#Cc1cccc(N(CC(=O)NC)C(=O)C[C@H](C)n2cccc2)c1 ZINC000736005637 633561294 /nfs/dbraw/zinc/56/12/94/633561294.db2.gz DHLYEKULLILQCZ-HNNXBMFYSA-N 0 0 323.396 2.200 10 30 DEEERN C=C(Cl)CNC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000736246190 633582839 /nfs/dbraw/zinc/58/28/39/633582839.db2.gz PIQWWUGPGGOTDV-ZDUSSCGKSA-N 0 0 308.765 2.286 10 30 DEEERN C#CCCCNC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000186937514 636627766 /nfs/dbraw/zinc/62/77/66/636627766.db2.gz NNAWCYOCIBPADP-UONOGXRCSA-N 0 0 323.437 2.487 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc(OC)c2ccccc21 ZINC000186656544 637350735 /nfs/dbraw/zinc/35/07/35/637350735.db2.gz KMWHGRANLPXBJC-LBPRGKRZSA-N 0 0 321.398 2.064 10 30 DEEERN C#Cc1cccc(N(CC)C(=O)[C@@H](C)NC(=O)c2ccco2)c1 ZINC000103101822 637582867 /nfs/dbraw/zinc/58/28/67/637582867.db2.gz OFFRMJLJFADQQT-CYBMUJFWSA-N 0 0 310.353 2.432 10 30 DEEERN COC(=O)CCn1nc(C)c(C=NNc2ccc(C)cn2)c1C ZINC000727259547 637798207 /nfs/dbraw/zinc/79/82/07/637798207.db2.gz IYZUVDJKDLTOFU-UHFFFAOYSA-N 0 0 315.377 2.212 10 30 DEEERN C=CCN(CC(=O)OCC)CC(=O)c1c[nH]c2ccccc21 ZINC000103470564 637886795 /nfs/dbraw/zinc/88/67/95/637886795.db2.gz WUMUERKDFXRROD-UHFFFAOYSA-N 0 0 300.358 2.402 10 30 DEEERN C#CCOc1cccc(NS(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000742029680 638032353 /nfs/dbraw/zinc/03/23/53/638032353.db2.gz MROLXOGZBSQQLO-CYBMUJFWSA-N 0 0 308.403 2.087 10 30 DEEERN N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccc(F)cc1F ZINC000742398132 638067844 /nfs/dbraw/zinc/06/78/44/638067844.db2.gz QVGHYRYKPKGGPU-UHFFFAOYSA-N 0 0 323.324 2.096 10 30 DEEERN COc1ccc(CNc2ncc(C(N)=O)cc2Cl)cc1C#N ZINC000746710115 638371440 /nfs/dbraw/zinc/37/14/40/638371440.db2.gz KJEIUBKSSANLRO-UHFFFAOYSA-N 0 0 316.748 2.326 10 30 DEEERN COc1ccc(CNC(=O)NCc2ncc(C)s2)cc1C#N ZINC000746732290 638373521 /nfs/dbraw/zinc/37/35/21/638373521.db2.gz ZWTBNGGRYDPKCQ-UHFFFAOYSA-N 0 0 316.386 2.331 10 30 DEEERN COc1ccc(CNC(=O)COc2ccc(F)cc2)cc1C#N ZINC000746872030 638383682 /nfs/dbraw/zinc/38/36/82/638383682.db2.gz FZAQZDWGMRTIDS-UHFFFAOYSA-N 0 0 314.316 2.401 10 30 DEEERN CCc1nnc(NC(=O)NCc2ccc(OC)c(C#N)c2)s1 ZINC000747190986 638416863 /nfs/dbraw/zinc/41/68/63/638416863.db2.gz MWTMCOSINDMEDY-UHFFFAOYSA-N 0 0 317.374 2.302 10 30 DEEERN CC(=O)N1CCC(COC(=O)c2ccc(C#N)cc2C)CC1 ZINC000748402926 638551531 /nfs/dbraw/zinc/55/15/31/638551531.db2.gz XBLTUDFLGZDHKS-UHFFFAOYSA-N 0 0 300.358 2.282 10 30 DEEERN C#Cc1ccc(C(=O)N(C)Cc2cn(C)nc2C(F)(F)F)cn1 ZINC000749868159 638688322 /nfs/dbraw/zinc/68/83/22/638688322.db2.gz FOUOKCIJQCKUKI-UHFFFAOYSA-N 0 0 322.290 2.087 10 30 DEEERN C[C@@H](OC(=O)Cc1cccc(C#N)c1)C(=O)N1CCC(C)CC1 ZINC000750431005 638743779 /nfs/dbraw/zinc/74/37/79/638743779.db2.gz UVJJTMTYDHOKPW-CQSZACIVSA-N 0 0 314.385 2.291 10 30 DEEERN N#Cc1cccnc1NCCNC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000750638352 639011246 /nfs/dbraw/zinc/01/12/46/639011246.db2.gz POSJBVJTDOYHSY-GJZGRUSLSA-N 0 0 313.405 2.197 10 30 DEEERN C=CCN(CC=C)C(=O)COC(=O)c1ccc2c(n1)CCCC2 ZINC000750656349 639011726 /nfs/dbraw/zinc/01/17/26/639011726.db2.gz MKJBZLZKYZBUJF-UHFFFAOYSA-N 0 0 314.385 2.318 10 30 DEEERN COC(=O)[C@H](OC(=O)c1cccc(O)c1)c1cccc(C#N)c1 ZINC000751627038 639100496 /nfs/dbraw/zinc/10/04/96/639100496.db2.gz FKVXBZXLQMVNPR-OAHLLOKOSA-N 0 0 311.293 2.335 10 30 DEEERN C=CCNC(=O)[C@@H](C)OC(=O)/C=C(\C)c1cccc(OC)c1 ZINC000751757854 639117897 /nfs/dbraw/zinc/11/78/97/639117897.db2.gz FZTLGEGKQBHVST-RSKUSDAESA-N 0 0 303.358 2.332 10 30 DEEERN C#CCN(CC#C)C(=O)c1cc(OCc2ccccc2)ccn1 ZINC000752150433 639159081 /nfs/dbraw/zinc/15/90/81/639159081.db2.gz ZZHLHVPVQJUXMQ-UHFFFAOYSA-N 0 0 304.349 2.369 10 30 DEEERN C=CCNC(=O)[C@@H](C)OC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000752355327 639174774 /nfs/dbraw/zinc/17/47/74/639174774.db2.gz QJNUHBNPZNEWRN-HCRIHEDKSA-N 0 0 318.329 2.232 10 30 DEEERN C=CCc1cc(C(=O)OC[C@@H]2COCCO2)cc(OC)c1OC ZINC000729106584 640051008 /nfs/dbraw/zinc/05/10/08/640051008.db2.gz XJXZCBOHBFAXIT-AWEZNQCLSA-N 0 0 322.357 2.005 10 30 DEEERN CC#CCCCCOC(=O)c1c(C)nn(C)c1-n1cccn1 ZINC000189165084 640054485 /nfs/dbraw/zinc/05/44/85/640054485.db2.gz RKYDBXIIGGRSSR-UHFFFAOYSA-N 0 0 300.362 2.265 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)CSCc1cccc(C)c1 ZINC000729382290 640495451 /nfs/dbraw/zinc/49/54/51/640495451.db2.gz VTZZUWZGLSREAS-ZDUSSCGKSA-N 0 0 307.415 2.462 10 30 DEEERN C=CCOCC(=O)Oc1ccc(C)cc1C(=O)NCC(C)C ZINC000729652764 640821584 /nfs/dbraw/zinc/82/15/84/640821584.db2.gz FMOWRGKADFTRRP-UHFFFAOYSA-N 0 0 305.374 2.489 10 30 DEEERN N#Cc1ccc(CNC(=S)NCCc2ccccn2)c(F)c1 ZINC000729822218 640846032 /nfs/dbraw/zinc/84/60/32/640846032.db2.gz NZVAEMKIPSOIMS-UHFFFAOYSA-N 0 0 314.389 2.299 10 30 DEEERN N#Cc1ccc(COC(=O)CN2Cc3ccccc3C2=O)cc1 ZINC000730051738 641159011 /nfs/dbraw/zinc/15/90/11/641159011.db2.gz NNDPDQCFZZNPQF-UHFFFAOYSA-N 0 0 306.321 2.257 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)N[C@H](C)c1ccc(OCC)cc1 ZINC000730105969 641472508 /nfs/dbraw/zinc/47/25/08/641472508.db2.gz SGAAUGHFBMRCOZ-PBHICJAKSA-N 0 0 300.402 2.360 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]cc2nc(C(F)(F)F)nc1-2 ZINC000900944164 642525914 /nfs/dbraw/zinc/52/59/14/642525914.db2.gz IARPKFSZWFCJJU-CBAPKCEASA-N 0 0 323.278 2.399 10 30 DEEERN C=CCN(CC=C)C(=O)COC(=O)Cc1ccc(C)nc1Cl ZINC000805667540 642670987 /nfs/dbraw/zinc/67/09/87/642670987.db2.gz HQQMYAIOFABUKM-UHFFFAOYSA-N 0 0 322.792 2.330 10 30 DEEERN Cc1nc2c(nccc2C(=O)N2CCc3ccc(C#N)cc32)[nH]1 ZINC000436148529 643096247 /nfs/dbraw/zinc/09/62/47/643096247.db2.gz FUUWMJFTSZLJBS-UHFFFAOYSA-N 0 0 303.325 2.341 10 30 DEEERN CC(C)(C)c1ccc(OCC(=O)[C@@H](C#N)C(=O)NC2CC2)cc1 ZINC000129114828 644567682 /nfs/dbraw/zinc/56/76/82/644567682.db2.gz GBMPWJXGLUEVDW-OAHLLOKOSA-N 0 0 314.385 2.350 10 30 DEEERN C=CCNC(=O)COC(=O)c1cnccc1Oc1ccccc1 ZINC000800271471 645249592 /nfs/dbraw/zinc/24/95/92/645249592.db2.gz UMLJOIDNJOEUEZ-UHFFFAOYSA-N 0 0 312.325 2.333 10 30 DEEERN C#CCN(CC#CC)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800739124 645301276 /nfs/dbraw/zinc/30/12/76/645301276.db2.gz LGXZRGTUDIESAO-MRXNPFEDSA-N 0 0 300.789 2.475 10 30 DEEERN C#CC[C@H](NC(=O)Nc1nnc(OC)s1)c1ccccc1 ZINC000801747746 645437298 /nfs/dbraw/zinc/43/72/98/645437298.db2.gz XVDGPUVRGGUBKD-NSHDSACASA-N 0 0 302.359 2.433 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)OCc1ccc[n+]([O-])c1 ZINC000802180202 645493712 /nfs/dbraw/zinc/49/37/12/645493712.db2.gz XBHPOKFOUHQWMR-UHFFFAOYSA-N 0 0 315.325 2.250 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cnc2c(cnn2C)c1 ZINC000803526061 645669017 /nfs/dbraw/zinc/66/90/17/645669017.db2.gz ZWGGQVMYPPINMO-KRWDZBQOSA-N 0 0 318.380 2.333 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000803697568 645680860 /nfs/dbraw/zinc/68/08/60/645680860.db2.gz JVXMUDKPMHCRPQ-LLVKDONJSA-N 0 0 319.307 2.498 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](CC)C(=O)NCc1ccccc1 ZINC000803699731 645681749 /nfs/dbraw/zinc/68/17/49/645681749.db2.gz OARRRFIRGCXUHU-QGZVFWFLSA-N 0 0 311.381 2.287 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1cccc(C(=O)OC)c1C#N ZINC000803699234 645681807 /nfs/dbraw/zinc/68/18/07/645681807.db2.gz WPMBTDDATBPDKW-UHFFFAOYSA-N 0 0 309.321 2.051 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000803700393 645682467 /nfs/dbraw/zinc/68/24/67/645682467.db2.gz NYZLFPMVNQAQRN-KRWDZBQOSA-N 0 0 309.365 2.212 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000803701438 645682801 /nfs/dbraw/zinc/68/28/01/645682801.db2.gz SBQVQMQWFHNCSZ-LLVKDONJSA-N 0 0 318.760 2.268 10 30 DEEERN C=CCN1CC[C@H](OC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)C1=O ZINC000803737957 645688943 /nfs/dbraw/zinc/68/89/43/645688943.db2.gz QVISMCKVGDONII-DCAQKATOSA-N 0 0 305.296 2.295 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000804452336 645772951 /nfs/dbraw/zinc/77/29/51/645772951.db2.gz DYOJSFWSPAHPIC-RBUKOAKNSA-N 0 0 318.376 2.342 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc2n[nH]nc2c1 ZINC000804453027 645772992 /nfs/dbraw/zinc/77/29/92/645772992.db2.gz ADVLBDNWFYEPLH-OAHLLOKOSA-N 0 0 304.353 2.322 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CNc1ccc(C#N)cn1 ZINC000804455471 645774248 /nfs/dbraw/zinc/77/42/48/645774248.db2.gz WJWKKMLVIWRYAK-KRWDZBQOSA-N 0 0 318.380 2.116 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)C[C@H]1CN(CC)c2ccccc2O1 ZINC000806324367 645819034 /nfs/dbraw/zinc/81/90/34/645819034.db2.gz GHJJVDFGWMWLEH-KRWDZBQOSA-N 0 0 324.424 2.395 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000806380259 645824492 /nfs/dbraw/zinc/82/44/92/645824492.db2.gz MNUYVHOFHZXIOY-CQSZACIVSA-N 0 0 324.340 2.168 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000806898018 645885103 /nfs/dbraw/zinc/88/51/03/645885103.db2.gz SCZYFLVBJWLFCK-UHFFFAOYSA-N 0 0 317.345 2.027 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cncc(C)c1 ZINC000807338209 645941728 /nfs/dbraw/zinc/94/17/28/645941728.db2.gz CKDSUSNFGDZHHU-MRXNPFEDSA-N 0 0 321.380 2.079 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@](C)(O)C1CC1 ZINC000807470406 645954413 /nfs/dbraw/zinc/95/44/13/645954413.db2.gz RCUSWMXPWXQNLN-AEFFLSMTSA-N 0 0 300.402 2.081 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@](C)(CO)CCC ZINC000807470955 645955571 /nfs/dbraw/zinc/95/55/71/645955571.db2.gz SAAUTMMEHKMWBU-FUHWJXTLSA-N 0 0 302.418 2.471 10 30 DEEERN C#CCN(C(=O)c1cnn(-c2ccc(F)cc2)n1)C1CCCC1 ZINC000164214604 646424367 /nfs/dbraw/zinc/42/43/67/646424367.db2.gz ZFNLVLNKHCAMNN-UHFFFAOYSA-N 0 0 312.348 2.424 10 30 DEEERN C=C(Br)CNC(=O)NCc1ccc(CO)c(F)c1 ZINC000171199244 646690033 /nfs/dbraw/zinc/69/00/33/646690033.db2.gz FYHOCUOEGYDPID-UHFFFAOYSA-N 0 0 317.158 2.026 10 30 DEEERN CCOCCOCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000171529098 646703520 /nfs/dbraw/zinc/70/35/20/646703520.db2.gz XDQNCWMONHHMPW-ZDUSSCGKSA-N 0 0 324.764 2.040 10 30 DEEERN C#CCN(CC#C)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000174526720 646813224 /nfs/dbraw/zinc/81/32/24/646813224.db2.gz ZXKJINBWDUHZLL-UHFFFAOYSA-N 0 0 308.425 2.036 10 30 DEEERN CSCCC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000174580486 646814710 /nfs/dbraw/zinc/81/47/10/646814710.db2.gz XKVLGGIKQXIIKX-UHFFFAOYSA-N 0 0 319.430 2.211 10 30 DEEERN N#Cc1ccc(NC(=O)COC(=O)C2=COCCC2)cc1Cl ZINC000730850279 647419878 /nfs/dbraw/zinc/41/98/78/647419878.db2.gz CAASNFCIEQPHDQ-UHFFFAOYSA-N 0 0 320.732 2.388 10 30 DEEERN C=C(C)CCOC(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000174805257 647580153 /nfs/dbraw/zinc/58/01/53/647580153.db2.gz UTXZKHGFHZIIQN-UHFFFAOYSA-N 0 0 309.387 2.350 10 30 DEEERN C/C(=C/C(=O)OCCn1ncc(C#N)c1N)c1cccc(F)c1 ZINC000732504406 647610156 /nfs/dbraw/zinc/61/01/56/647610156.db2.gz SFZTZXHVQCDPMZ-XFFZJAGNSA-N 0 0 314.320 2.123 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](C)Cc1ccccc1 ZINC000732584852 647627215 /nfs/dbraw/zinc/62/72/15/647627215.db2.gz VJOHVJPLULPUNM-CABCVRRESA-N 0 0 316.401 2.417 10 30 DEEERN C[C@@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1F ZINC000732650580 647635967 /nfs/dbraw/zinc/63/59/67/647635967.db2.gz XUTXHIQYKNNIHW-TZMCWYRMSA-N 0 0 301.365 2.128 10 30 DEEERN CSCc1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000732648822 647636061 /nfs/dbraw/zinc/63/60/61/647636061.db2.gz ITXQSJJIWMENHG-MRXNPFEDSA-N 0 0 315.442 2.362 10 30 DEEERN N#C[C@H]1CN(C(=O)N[C@H]2CCCc3occc32)CCN1C1CC1 ZINC000732677242 647640537 /nfs/dbraw/zinc/64/05/37/647640537.db2.gz URLPYABSQFDAAW-ZFWWWQNUSA-N 0 0 314.389 2.039 10 30 DEEERN C#CCOc1ccccc1[C@H](C)OC(=O)C[C@@H]1COC(=O)C1 ZINC000153757628 647648763 /nfs/dbraw/zinc/64/87/63/647648763.db2.gz VGYTYUQLAKDPPX-QWHCGFSZSA-N 0 0 302.326 2.256 10 30 DEEERN CC[C@@H](Cc1ccccc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732741689 647653692 /nfs/dbraw/zinc/65/36/92/647653692.db2.gz RCMXJANEIWEELF-WMZOPIPTSA-N 0 0 311.429 2.454 10 30 DEEERN N#C[C@H](COC(=O)CCOC[C@@H]1CCCO1)Cc1ccccc1 ZINC000175375660 648346000 /nfs/dbraw/zinc/34/60/00/648346000.db2.gz WPSRKUBGHCQIQV-SJORKVTESA-N 0 0 317.385 2.498 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)c1ccncc1CC ZINC000182927614 649010561 /nfs/dbraw/zinc/01/05/61/649010561.db2.gz LWNQTEQHHIBTEF-UHFFFAOYSA-N 0 0 307.353 2.259 10 30 DEEERN CC#CCCCCOC(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000183929653 649203002 /nfs/dbraw/zinc/20/30/02/649203002.db2.gz LJLPZBNEPFVJLU-UHFFFAOYSA-N 0 0 305.378 2.244 10 30 DEEERN N#CC1(COC(=O)c2cc3c(s2)CCOC3)CCOCC1 ZINC000183949847 649204914 /nfs/dbraw/zinc/20/49/14/649204914.db2.gz JJYHMHHXRMODFV-UHFFFAOYSA-N 0 0 307.371 2.298 10 30 DEEERN CCCc1noc(CCCC(=O)OCC2(C#N)CCOCC2)n1 ZINC000183983731 649218079 /nfs/dbraw/zinc/21/80/79/649218079.db2.gz OYOCMOCSSYAUJB-UHFFFAOYSA-N 0 0 321.377 2.208 10 30 DEEERN C#CCCNC(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1 ZINC000733247488 649463333 /nfs/dbraw/zinc/46/33/33/649463333.db2.gz ZZJNNVVGIUVXIB-UHFFFAOYSA-N 0 0 304.353 2.482 10 30 DEEERN CC1(COC(=O)Cc2ccc(OCC#N)cc2)CCOCC1 ZINC000185571951 649558724 /nfs/dbraw/zinc/55/87/24/649558724.db2.gz BUVVFSAANKKMOG-UHFFFAOYSA-N 0 0 303.358 2.491 10 30 DEEERN C=CCN(CCc1ccccc1)Cn1nc(CO)n(C)c1=S ZINC000305146728 685278830 /nfs/dbraw/zinc/27/88/30/685278830.db2.gz YKRJORXATNWGGI-UHFFFAOYSA-N 0 0 318.446 2.132 10 30 DEEERN C#CCCNS(=O)(=O)c1c(Cl)cccc1Br ZINC000393650177 685453896 /nfs/dbraw/zinc/45/38/96/685453896.db2.gz NCCMDJMDXBPGTQ-UHFFFAOYSA-N 0 0 322.611 2.404 10 30 DEEERN C=CCCCN(C)Cn1ncc2cn(-c3ccccc3)nc2c1=O ZINC000076664475 683945429 /nfs/dbraw/zinc/94/54/29/683945429.db2.gz AOIVNXVPDQWSQZ-UHFFFAOYSA-N 0 0 323.400 2.438 10 30 DEEERN Cc1ccc(C(N)=NOCC(=O)NC2CCCCC2)cc1F ZINC000077381412 683951995 /nfs/dbraw/zinc/95/19/95/683951995.db2.gz ZBZAMPIZLJJUMJ-UHFFFAOYSA-N 0 0 307.369 2.220 10 30 DEEERN Cn1cc(C#N)cc1C(=O)OCc1cc2ccccc2[nH]c1=O ZINC000083687447 683998502 /nfs/dbraw/zinc/99/85/02/683998502.db2.gz WLLITTRHADCLJC-UHFFFAOYSA-N 0 0 307.309 2.095 10 30 DEEERN Cc1c(C(=O)NC2(C#N)CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000121950395 684111132 /nfs/dbraw/zinc/11/11/32/684111132.db2.gz IZCHVDDUDXCUDV-UHFFFAOYSA-N 0 0 318.289 2.378 10 30 DEEERN CCCn1cnnc1COC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000124310475 684133918 /nfs/dbraw/zinc/13/39/18/684133918.db2.gz WOFGZYFZZKQHHY-GFCCVEGCSA-N 0 0 314.345 2.070 10 30 DEEERN C#C[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000125311833 684144771 /nfs/dbraw/zinc/14/47/71/684144771.db2.gz URYDHIRGNJWUPY-ZFWWWQNUSA-N 0 0 301.342 2.353 10 30 DEEERN C#CCOCCC(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000127701942 684165340 /nfs/dbraw/zinc/16/53/40/684165340.db2.gz NDKQNPOKLMGQFK-UHFFFAOYSA-N 0 0 310.357 2.328 10 30 DEEERN C=CCCC(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000134637468 684228766 /nfs/dbraw/zinc/22/87/66/684228766.db2.gz OIORDFUZFQDRED-KRWDZBQOSA-N 0 0 300.358 2.379 10 30 DEEERN C[C@@H]1CN(C(=O)Nc2ccc(F)cc2OCC#N)C[C@@H](C)O1 ZINC000135260045 684233659 /nfs/dbraw/zinc/23/36/59/684233659.db2.gz JTUYCGXVHPNOQZ-GHMZBOCLSA-N 0 0 307.325 2.369 10 30 DEEERN C#CC[C@H](OC(=O)c1cn(CC(=O)C(C)(C)C)nn1)C(C)(C)C ZINC000159781369 684321438 /nfs/dbraw/zinc/32/14/38/684321438.db2.gz OKPLXGCYRFKCMV-AWEZNQCLSA-N 0 0 319.405 2.488 10 30 DEEERN C=CCc1ccccc1OC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000188665629 684360602 /nfs/dbraw/zinc/36/06/02/684360602.db2.gz LAIPJQZPCCILAX-UHFFFAOYSA-N 0 0 307.309 2.266 10 30 DEEERN C=CC[C@@H](OC(=O)CCN1CCCS1(=O)=O)c1ccccc1 ZINC000189243997 684377001 /nfs/dbraw/zinc/37/70/01/684377001.db2.gz YWYAPXFHILBSQP-OAHLLOKOSA-N 0 0 323.414 2.273 10 30 DEEERN CN(CCC#N)c1ccc(CNCc2cc(C(N)=O)co2)cc1 ZINC000189418376 684380076 /nfs/dbraw/zinc/38/00/76/684380076.db2.gz UOGLYXDBPWKBDD-UHFFFAOYSA-N 0 0 312.373 2.018 10 30 DEEERN C=C[C@@](C)(CCOC)COC(=O)CNC(=O)c1ccc(F)cc1 ZINC000191092809 684421057 /nfs/dbraw/zinc/42/10/57/684421057.db2.gz HFZWMPGNKWNAIX-KRWDZBQOSA-N 0 0 323.364 2.328 10 30 DEEERN C=C[C@](C)(CCOC)COC(=O)c1ccc2nnn(C)c2c1 ZINC000191100256 684421134 /nfs/dbraw/zinc/42/11/34/684421134.db2.gz IOOSGJPFXPQQMU-MRXNPFEDSA-N 0 0 303.362 2.354 10 30 DEEERN C#CCOc1ccccc1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191895903 684438297 /nfs/dbraw/zinc/43/82/97/684438297.db2.gz LTPYTHZOBFPCQA-UHFFFAOYSA-N 0 0 314.301 2.076 10 30 DEEERN COc1cccc([C@@H]2C[C@H]2C(=O)[C@H](C#N)C(=O)N2CCCC2)c1 ZINC000246345662 685128229 /nfs/dbraw/zinc/12/82/29/685128229.db2.gz MLZBXESLBHUGAY-XHSDSOJGSA-N 0 0 312.369 2.130 10 30 DEEERN CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000248293014 685155957 /nfs/dbraw/zinc/15/59/57/685155957.db2.gz XGLJPOPYJORBHL-KCPJHIHWSA-N 0 0 300.358 2.464 10 30 DEEERN C[C@H](C#N)CNC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000248460433 685160921 /nfs/dbraw/zinc/16/09/21/685160921.db2.gz WOMOSVBZSDPENH-FVQBIDKESA-N 0 0 301.390 2.444 10 30 DEEERN C[C@H](C#N)OCCOC(=O)c1cc(N)ccc1Br ZINC000302311629 685228157 /nfs/dbraw/zinc/22/81/57/685228157.db2.gz CVVONQKXRMXPQF-MRVPVSSYSA-N 0 0 313.151 2.117 10 30 DEEERN C=CCC[C@@H](CO)NS(=O)(=O)c1c(C)sc(C)c1C ZINC000722577862 778802364 /nfs/dbraw/zinc/80/23/64/778802364.db2.gz XPROXCYRLVTOJE-LBPRGKRZSA-N 0 0 303.449 2.279 10 30 DEEERN N#Cc1cc(F)c(NC2CC(C(N)=O)C2)cc1Br ZINC000716699411 793001056 /nfs/dbraw/zinc/00/10/56/793001056.db2.gz RAWKPTUMAWZNTF-UHFFFAOYSA-N 0 0 312.142 2.136 10 30 DEEERN C#CC[C@H](COC)NC(=O)c1cc(Br)oc1C ZINC000716801946 793008187 /nfs/dbraw/zinc/00/81/87/793008187.db2.gz WTWPCDOLWIORAC-SECBINFHSA-N 0 0 300.152 2.119 10 30 DEEERN N#C[C@@]1(F)CCN(C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000800014800 799296256 /nfs/dbraw/zinc/29/62/56/799296256.db2.gz DQBQIXOHZPXIMK-HIFRSBDPSA-N 0 0 307.756 2.454 10 30 DEEERN C#CCC[C@@H](O)CNS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000717898785 1081741505 /nfs/dbraw/zinc/74/15/05/1081741505.db2.gz KTQOBIOSRCQNNF-ATWMFIQVSA-N 0 0 313.806 2.004 10 30 DEEERN C[C@]1(C#N)CCN(C(=O)c2cc(Br)cnc2F)C1 ZINC000700923019 1086344752 /nfs/dbraw/zinc/34/47/52/1086344752.db2.gz PONKLASEQGKCKJ-GFCCVEGCSA-N 0 0 312.142 2.359 10 30 DEEERN C#CC1(O)CCN(C(=O)c2csc(Br)c2)CC1 ZINC000708151647 1086677345 /nfs/dbraw/zinc/67/73/45/1086677345.db2.gz BVPJCIUZADQSKB-UHFFFAOYSA-N 0 0 314.204 2.111 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)N[C@@H]2CCCC2(F)F)c1 ZINC000720034303 1089425982 /nfs/dbraw/zinc/42/59/82/1089425982.db2.gz YXXZZLBGEABNMP-LLVKDONJSA-N 0 0 304.293 2.163 10 30 DEEERN N#Cc1cccc(NC(=O)[C@H]2NC(=O)O[C@H]2c2ccccc2)c1 ZINC000074695063 185009828 /nfs/dbraw/zinc/00/98/28/185009828.db2.gz KVEFORXLRFHTOV-GJZGRUSLSA-N 0 0 307.309 2.346 10 30 DEEERN C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](CO)C[C@H]1C ZINC000624814651 365558592 /nfs/dbraw/zinc/55/85/92/365558592.db2.gz JPTLEBDFFZBXNP-CHWSQXEVSA-N 0 0 301.394 2.056 10 30 DEEERN C=CCn1c(-c2ccc(C)o2)nnc1N1CC2(C1)CCCO2 ZINC000624817323 365559653 /nfs/dbraw/zinc/55/96/53/365559653.db2.gz ZHWVRSWLNHJCNU-UHFFFAOYSA-N 0 0 300.362 2.402 10 30 DEEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CC2(CCC2)OC[C@@H]1C ZINC000624851391 365570794 /nfs/dbraw/zinc/57/07/94/365570794.db2.gz XFIJGMKXBYLNRP-LBPRGKRZSA-N 0 0 314.393 2.002 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC000624859266 365572915 /nfs/dbraw/zinc/57/29/15/365572915.db2.gz DQMBIGRYMLHOJJ-LLVKDONJSA-N 0 0 301.312 2.331 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CCOCc1ccccc1 ZINC000612279941 361778465 /nfs/dbraw/zinc/77/84/65/361778465.db2.gz OOZRTNSTUMEVPZ-KRWDZBQOSA-N 0 0 318.417 2.133 10 30 DEEERN C=C(C)COCCNC(=O)c1ccc2[nH]c(=O)n(C3CC3)c2c1 ZINC000612436789 361826012 /nfs/dbraw/zinc/82/60/12/361826012.db2.gz UOXXIXIMDQEUDB-UHFFFAOYSA-N 0 0 315.373 2.399 10 30 DEEERN Cn1c(CNc2ccc([N+](=O)[O-])c(C#N)n2)nc2ccccc21 ZINC000302719208 230820949 /nfs/dbraw/zinc/82/09/49/230820949.db2.gz KOWCJTSVEZASBD-UHFFFAOYSA-N 0 0 308.301 2.360 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000278545838 214226854 /nfs/dbraw/zinc/22/68/54/214226854.db2.gz NQCBISRAPNHYBJ-IAGOWNOFSA-N 0 0 311.385 2.470 10 30 DEEERN C=CC1CCN(c2nnc([C@@H]3COCCO3)n2CC2CC2)CC1 ZINC000612887545 361941832 /nfs/dbraw/zinc/94/18/32/361941832.db2.gz PWHVHHJVLPCTTC-HNNXBMFYSA-N 0 0 318.421 2.178 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](CC)c1c(C)noc1C ZINC000613019068 361983415 /nfs/dbraw/zinc/98/34/15/361983415.db2.gz RFXUZNHZWUKTBK-UONOGXRCSA-N 0 0 307.394 2.330 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000278699276 214336789 /nfs/dbraw/zinc/33/67/89/214336789.db2.gz FTKBILFINJSKKZ-VXGBXAGGSA-N 0 0 319.323 2.338 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000278727383 214357681 /nfs/dbraw/zinc/35/76/81/214357681.db2.gz CVFHRQDXKQEFLE-OAHLLOKOSA-N 0 0 312.388 2.431 10 30 DEEERN C=CCNC(=O)[C@@H](C)NCc1sccc1Br ZINC000082265244 185174705 /nfs/dbraw/zinc/17/47/05/185174705.db2.gz ZTGNFTHSUPTBNB-MRVPVSSYSA-N 0 0 303.225 2.291 10 30 DEEERN Cc1cc(CNS(=O)(=O)c2ccc(N)cc2C#N)sc1C ZINC000087578979 185228876 /nfs/dbraw/zinc/22/88/76/185228876.db2.gz NZJGHSXZFXDHBK-UHFFFAOYSA-N 0 0 321.427 2.297 10 30 DEEERN C[C@@H](CC[NH2+]CC(=O)Nc1sccc1C#N)CCC(=O)[O-] ZINC000087676150 185230377 /nfs/dbraw/zinc/23/03/77/185230377.db2.gz QQTRUJGAAVHEBZ-SNVBAGLBSA-N 0 0 309.391 2.039 10 30 DEEERN Cc1ccc(C#CCCO)cc1C(=O)N(C)[C@@H]1CCSC1 ZINC000087745880 185231365 /nfs/dbraw/zinc/23/13/65/185231365.db2.gz XVFOSQGOSGWGOQ-OAHLLOKOSA-N 0 0 303.427 2.306 10 30 DEEERN N#CCNC(=O)CNc1cc(Cl)ccc1Br ZINC000088123156 185239993 /nfs/dbraw/zinc/23/99/93/185239993.db2.gz LNSFKTSXRUSTBO-UHFFFAOYSA-N 0 0 302.559 2.154 10 30 DEEERN CC[C@H](C)C[C@H](C)NS(=O)(=O)c1ccccc1C#CCO ZINC000088310843 185245349 /nfs/dbraw/zinc/24/53/49/185245349.db2.gz OJUNQRYTLMZKTH-KBPBESRZSA-N 0 0 309.431 2.133 10 30 DEEERN N#Cc1cccc(C(=O)Nc2cnc(Br)cn2)c1 ZINC000088446444 185251140 /nfs/dbraw/zinc/25/11/40/185251140.db2.gz MZVWXINDCFANJI-UHFFFAOYSA-N 0 0 303.119 2.363 10 30 DEEERN N#Cc1ccc(C(=O)Nc2cnc(Br)cn2)cc1 ZINC000088446456 185251320 /nfs/dbraw/zinc/25/13/20/185251320.db2.gz DAYJEDVVKFSBGM-UHFFFAOYSA-N 0 0 303.119 2.363 10 30 DEEERN Cc1ccccc1S(=O)(=O)Nc1ccccc1C#CC[NH3+] ZINC000088716539 185263104 /nfs/dbraw/zinc/26/31/04/185263104.db2.gz JDSJSYVJUOBANE-UHFFFAOYSA-N 0 0 300.383 2.106 10 30 DEEERN COCc1cncc(C(=O)N(CCC#N)CC(F)(F)F)c1 ZINC000613185257 362031158 /nfs/dbraw/zinc/03/11/58/362031158.db2.gz FGKFRSBZVSOYLE-UHFFFAOYSA-N 0 0 301.268 2.146 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(C)Cc2ccccc2C1 ZINC000613198973 362035840 /nfs/dbraw/zinc/03/58/40/362035840.db2.gz LTEROHPVEFFNAC-QGZVFWFLSA-N 0 0 314.429 2.379 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(CCCO)c1 ZINC000613391640 362099488 /nfs/dbraw/zinc/09/94/88/362099488.db2.gz LUEZURCOEMZTGK-MRXNPFEDSA-N 0 0 304.390 2.021 10 30 DEEERN COc1cccc([C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)c1 ZINC000181351314 199284213 /nfs/dbraw/zinc/28/42/13/199284213.db2.gz MSLCOOUFJWENAC-MRXNPFEDSA-N 0 0 311.341 2.109 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000613495967 362129549 /nfs/dbraw/zinc/12/95/49/362129549.db2.gz XICZGJAJUYPOND-SJORKVTESA-N 0 0 322.449 2.265 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc2ccc(F)cc2n1C ZINC000613557571 362146587 /nfs/dbraw/zinc/14/65/87/362146587.db2.gz JJRQEOOSYCRXPD-ZDUSSCGKSA-N 0 0 318.352 2.122 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000613668934 362176057 /nfs/dbraw/zinc/17/60/57/362176057.db2.gz DSYZNIJJARHFNK-ABAIWWIYSA-N 0 0 304.394 2.264 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000625350225 365742311 /nfs/dbraw/zinc/74/23/11/365742311.db2.gz KGUGXDCSTJPBKS-JTQLQIEISA-N 0 0 309.416 2.278 10 30 DEEERN C=C[C@@H](O)C(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000613865693 362235454 /nfs/dbraw/zinc/23/54/54/362235454.db2.gz IDJGIONSQMWVPB-LDYMZIIASA-N 0 0 314.179 2.182 10 30 DEEERN CN(C)c1cccc(S(=O)(=O)N2CCCC(C)(C)[C@H]2C#N)c1 ZINC000408402673 529793202 /nfs/dbraw/zinc/79/32/02/529793202.db2.gz PITUJDCGTNZLAQ-OAHLLOKOSA-N 0 0 321.446 2.455 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc2ncccc2c1 ZINC000614256876 362331045 /nfs/dbraw/zinc/33/10/45/362331045.db2.gz LLPFGAXUUZNZMM-KRWDZBQOSA-N 0 0 311.385 2.322 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cn(C)nc1-c1ccco1 ZINC000614374705 362365086 /nfs/dbraw/zinc/36/50/86/362365086.db2.gz HOVCKDRYWZQTQM-LRDDRELGSA-N 0 0 315.373 2.391 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)Cc1cnc(C(C)C)nc1 ZINC000614449469 362383187 /nfs/dbraw/zinc/38/31/87/362383187.db2.gz NJQJZAJDEXULBQ-OAHLLOKOSA-N 0 0 318.421 2.029 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(-n2c(=O)[nH][nH]c2=O)cc1 ZINC000614748641 362453168 /nfs/dbraw/zinc/45/31/68/362453168.db2.gz SHGIQJDABFFSND-SNVBAGLBSA-N 0 0 302.334 2.219 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)Cc1ccccc1N(C)C ZINC000614942060 362494670 /nfs/dbraw/zinc/49/46/70/362494670.db2.gz DDWFNKNBJKHRKC-MRXNPFEDSA-N 0 0 317.433 2.182 10 30 DEEERN C=Cc1ccc(CCNC(=O)[C@@H](CC(=C)C)NC(C)=O)cc1 ZINC000615100594 362533059 /nfs/dbraw/zinc/53/30/59/362533059.db2.gz PZUDZSXSHFNMPT-QGZVFWFLSA-N 0 0 300.402 2.459 10 30 DEEERN CN1CC[C@H](CNC(=O)C2(C#N)CCOCC2)c2ccccc21 ZINC000109140952 185554560 /nfs/dbraw/zinc/55/45/60/185554560.db2.gz RUPGIKRYENJZIO-CQSZACIVSA-N 0 0 313.401 2.047 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CCCCC1(F)F ZINC000615474614 362616550 /nfs/dbraw/zinc/61/65/50/362616550.db2.gz YKFPUHSLQWVKHS-CHWSQXEVSA-N 0 0 302.365 2.399 10 30 DEEERN Cc1ccc2[nH]c(CNC(=O)N3CC[C@](F)(C#N)C3)nc2c1 ZINC000615541211 362634862 /nfs/dbraw/zinc/63/48/62/362634862.db2.gz LYQBWDPYBCPPON-HNNXBMFYSA-N 0 0 301.325 2.019 10 30 DEEERN CC[C@@H]1CN(S(=O)(=O)c2cccc(C)c2C#N)C[C@@H](C)O1 ZINC000246339359 282436942 /nfs/dbraw/zinc/43/69/42/282436942.db2.gz UIZPNGUJNCAPPG-CHWSQXEVSA-N 0 0 308.403 2.055 10 30 DEEERN Cc1ncsc1CN(C)C(=O)c1ccccc1C#CCO ZINC000111673930 185624212 /nfs/dbraw/zinc/62/42/12/185624212.db2.gz UVCOKPDNPBREAV-UHFFFAOYSA-N 0 0 300.383 2.068 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@](C)(OC)c1ccccc1 ZINC000615833182 362711504 /nfs/dbraw/zinc/71/15/04/362711504.db2.gz XMKQAZVIDGFWIK-SJLPKXTDSA-N 0 0 318.417 2.135 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC1CCC(OC(F)F)CC1 ZINC000616095405 362771287 /nfs/dbraw/zinc/77/12/87/362771287.db2.gz ZACMPNCIEUUWGE-BPCQOVAHSA-N 0 0 318.364 2.124 10 30 DEEERN N#Cc1ccc(CNC(=O)Cc2ccc3c[nH]nc3c2)c(F)c1 ZINC000616175127 362787942 /nfs/dbraw/zinc/78/79/42/362787942.db2.gz NKAHONWPVRFIAC-UHFFFAOYSA-N 0 0 308.316 2.433 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CC12CCSCC2 ZINC000616364436 362836684 /nfs/dbraw/zinc/83/66/84/362836684.db2.gz HTOHGPDCNJVXMS-KGLIPLIRSA-N 0 0 310.463 2.107 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000616453267 362862066 /nfs/dbraw/zinc/86/20/66/362862066.db2.gz AGQCQUKRBGRPNL-DLBZAZTESA-N 0 0 316.401 2.137 10 30 DEEERN CS(=O)(=O)N1CCc2ccccc2[C@H]1c1cccc(C#N)c1 ZINC000616678927 362908919 /nfs/dbraw/zinc/90/89/19/362908919.db2.gz AAGROGAZZABASS-QGZVFWFLSA-N 0 0 312.394 2.465 10 30 DEEERN N#Cc1ccccc1[C@@H]1CCN(S(N)(=O)=O)c2ccccc21 ZINC000616677182 362909007 /nfs/dbraw/zinc/90/90/07/362909007.db2.gz VHVCFBRUGOBZFZ-AWEZNQCLSA-N 0 0 313.382 2.104 10 30 DEEERN C=C[C@](C)(O)C(=O)N1CCC(c2ccc3cccnc3n2)CC1 ZINC000616700674 362913525 /nfs/dbraw/zinc/91/35/25/362913525.db2.gz HYDABXSQBZDSHZ-SFHVURJKSA-N 0 0 311.385 2.273 10 30 DEEERN CCC[C@@H]1CC[C@@H](C#N)[C@H](S(=O)(=O)CCC(=O)OC)C1 ZINC000084252911 192416962 /nfs/dbraw/zinc/41/69/62/192416962.db2.gz VCBKLNAQDLVPLF-FRRDWIJNSA-N 0 0 301.408 2.073 10 30 DEEERN CN(C)c1cccc2c1C(=O)N(CCCn1ccnc1)[C@H]2C#N ZINC000071679337 191005237 /nfs/dbraw/zinc/00/52/37/191005237.db2.gz WLGPZJXKMZZVGG-HNNXBMFYSA-N 0 0 309.373 2.060 10 30 DEEERN CCOC(=O)CN1C(=O)c2c(cccc2C(F)(F)F)C1C#N ZINC000071681147 191007015 /nfs/dbraw/zinc/00/70/15/191007015.db2.gz QDSFJMFFJBDTNT-SNVBAGLBSA-N 0 0 312.247 2.289 10 30 DEEERN C#CCC[C@H](NN)c1cccc(I)c1 ZINC000133656034 186004282 /nfs/dbraw/zinc/00/42/82/186004282.db2.gz DZKGSYACRKFYEF-NSHDSACASA-N 0 0 300.143 2.209 10 30 DEEERN COC(C)(C)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000170968157 197859082 /nfs/dbraw/zinc/85/90/82/197859082.db2.gz UCCKDPJWCXDGPX-UHFFFAOYSA-N 0 0 302.374 2.353 10 30 DEEERN CC(C)(C#N)N1CCN(c2cc(Cl)nnc2Cl)CC1 ZINC000149193555 186048404 /nfs/dbraw/zinc/04/84/04/186048404.db2.gz KQDVNVIATJUWMX-UHFFFAOYSA-N 0 0 300.193 2.208 10 30 DEEERN CCOC(=O)Cn1cc(C#N)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000072236993 191080682 /nfs/dbraw/zinc/08/06/82/191080682.db2.gz BFYZGMOPGANCOH-UHFFFAOYSA-N 0 0 324.258 2.455 10 30 DEEERN N#C[C@H](CO)c1ncc(Br)cc1Br ZINC000164065321 186147670 /nfs/dbraw/zinc/14/76/70/186147670.db2.gz UIXMZZUZEDUXBJ-RXMQYKEDSA-N 0 0 305.957 2.206 10 30 DEEERN CC[C@H](C#N)N1CCN(c2ccncc2Br)CC1 ZINC000163883122 186141112 /nfs/dbraw/zinc/14/11/12/186141112.db2.gz QDIVRDWMKCPVRN-LLVKDONJSA-N 0 0 309.211 2.268 10 30 DEEERN CO[C@@H](C)c1cccc(NC(=O)C(=O)NCCCCC#N)c1 ZINC000171474073 186165880 /nfs/dbraw/zinc/16/58/80/186165880.db2.gz ORORSODSTNLQGF-LBPRGKRZSA-N 0 0 303.362 2.143 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1C ZINC000186050701 186235940 /nfs/dbraw/zinc/23/59/40/186235940.db2.gz KOGZTLIEQSLLRL-NSHDSACASA-N 0 0 310.419 2.444 10 30 DEEERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CCS1 ZINC000171565182 197942910 /nfs/dbraw/zinc/94/29/10/197942910.db2.gz JHCJDJSFXMPIOZ-VIFPVBQESA-N 0 0 323.805 2.114 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1nc(C2CC2)nn1C ZINC000617043794 363007915 /nfs/dbraw/zinc/00/79/15/363007915.db2.gz FABROCUGPBGUEM-OCCSQVGLSA-N 0 0 302.422 2.486 10 30 DEEERN C=CCSCCNC(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595491085 358463513 /nfs/dbraw/zinc/46/35/13/358463513.db2.gz HNDCFSIMMMCEIS-MFKMUULPSA-N 0 0 308.394 2.360 10 30 DEEERN C=CCc1ccc(OCC(=O)N[C@@H](CO)C2CCC2)c(OC)c1 ZINC000617298123 363082086 /nfs/dbraw/zinc/08/20/86/363082086.db2.gz KJSZWXYOCVRFRN-HNNXBMFYSA-N 0 0 319.401 2.080 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000617393491 363120284 /nfs/dbraw/zinc/12/02/84/363120284.db2.gz QUEWAXKNSSLQCD-QGZVFWFLSA-N 0 0 302.374 2.288 10 30 DEEERN C=CCCC1(CNC(=O)c2cc(C(N)=O)cn2C)CCCC1 ZINC000617417229 363127350 /nfs/dbraw/zinc/12/73/50/363127350.db2.gz QFCWSABABOQADY-UHFFFAOYSA-N 0 0 303.406 2.380 10 30 DEEERN C=CCCC1(CNC(=O)CN(C)CC(=O)NC(C)C)CCCC1 ZINC000617416423 363127440 /nfs/dbraw/zinc/12/74/40/363127440.db2.gz PTKQQWLWCQMHEV-UHFFFAOYSA-N 0 0 323.481 2.086 10 30 DEEERN C=CCN(C(=O)CNC(=O)c1ccc(C)c(C)c1)[C@@H](C)COC ZINC000617575136 363193119 /nfs/dbraw/zinc/19/31/19/363193119.db2.gz QPDFZIPSBOQGBH-HNNXBMFYSA-N 0 0 318.417 2.083 10 30 DEEERN C=CCN(C(=O)CCc1cccc(C(=O)NC)c1)[C@@H](C)COC ZINC000617581781 363196320 /nfs/dbraw/zinc/19/63/20/363196320.db2.gz ZGQPGAPEIPMBHW-AWEZNQCLSA-N 0 0 318.417 2.028 10 30 DEEERN CCCc1nc(C)c(CNC(=O)N2CC3(C2)CCCOC3)o1 ZINC000330270735 539936207 /nfs/dbraw/zinc/93/62/07/539936207.db2.gz USKOVMBJSOCLPW-UHFFFAOYSA-N 0 0 307.394 2.462 10 30 DEEERN CCC[C@@H]1C[C@@H]1NC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000330342400 539938125 /nfs/dbraw/zinc/93/81/25/539938125.db2.gz AVPDQNGNFYDEND-ZOBORPQBSA-N 0 0 314.451 2.131 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)COc2cccc(C(=O)NC)c2)C1 ZINC000617781538 363263608 /nfs/dbraw/zinc/26/36/08/363263608.db2.gz OXXMNKXHQDCTBM-CQSZACIVSA-N 0 0 316.401 2.240 10 30 DEEERN COc1cc(/C=N/NS(=O)(=O)c2ccccc2)cc(OC)c1 ZINC000003526657 181030668 /nfs/dbraw/zinc/03/06/68/181030668.db2.gz SKKAMNASKGBYSL-LFIBNONCSA-N 0 0 320.370 2.016 10 30 DEEERN C=CC(C)(C)CCNC(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000626275867 366132860 /nfs/dbraw/zinc/13/28/60/366132860.db2.gz RGQPWHSZRJLZOK-UHFFFAOYSA-N 0 0 305.378 2.275 10 30 DEEERN Cc1nnc(NC(=O)CSc2nc(C)cc(C)c2C#N)s1 ZINC000001010393 353990521 /nfs/dbraw/zinc/99/05/21/353990521.db2.gz RPVPXEUOEQMYOL-UHFFFAOYSA-N 0 0 319.415 2.461 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)[C@H]1CNC(=O)c2ccccc21 ZINC000626391957 366172193 /nfs/dbraw/zinc/17/21/93/366172193.db2.gz RYVTTXRAMQZWOK-KRWDZBQOSA-N 0 0 324.380 2.364 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](C)C(O)[C@H](C)C1 ZINC000618274248 363441673 /nfs/dbraw/zinc/44/16/73/363441673.db2.gz OQOVDMCHKAXFBQ-CHWSQXEVSA-N 0 0 319.401 2.349 10 30 DEEERN C=CCNC(=O)NC(=O)CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000074236034 355017086 /nfs/dbraw/zinc/01/70/86/355017086.db2.gz TZLMKUBDUMBMHX-NSHDSACASA-N 0 0 309.797 2.345 10 30 DEEERN C[C@@H]1Oc2ccc(CC(=O)Nc3ccc(C#N)cc3)cc2NC1=O ZINC000074966254 191397929 /nfs/dbraw/zinc/39/79/29/191397929.db2.gz PWKZLHNKPRVTRA-NSHDSACASA-N 0 0 321.336 2.459 10 30 DEEERN N#Cc1ccccc1NC(=O)Cc1ccc2c(c1)NC(=O)CO2 ZINC000074965543 191396406 /nfs/dbraw/zinc/39/64/06/191396406.db2.gz BRUYRHFQGDVVGL-UHFFFAOYSA-N 0 0 307.309 2.070 10 30 DEEERN C[C@@H]1Oc2ccc(CC(=O)Nc3cccc(C#N)c3)cc2NC1=O ZINC000074966251 191397742 /nfs/dbraw/zinc/39/77/42/191397742.db2.gz BTNCWZASJKEKGE-NSHDSACASA-N 0 0 321.336 2.459 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N(C)c3ccccn3)cc2C1=O ZINC000134521037 355860907 /nfs/dbraw/zinc/86/09/07/355860907.db2.gz ALIPMDTWDUKXER-UHFFFAOYSA-N 0 0 321.336 2.140 10 30 DEEERN N#C[C@@H](NC(=O)c1cn(-c2cccc(Cl)c2F)nn1)C1CC1 ZINC000179837147 356034688 /nfs/dbraw/zinc/03/46/88/356034688.db2.gz FQMOZXCMNJBQCR-SNVBAGLBSA-N 0 0 319.727 2.092 10 30 DEEERN CCCCN(CCCO)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000182339727 356122863 /nfs/dbraw/zinc/12/28/63/356122863.db2.gz BJBZHLMZXDVXGY-CQSZACIVSA-N 0 0 304.390 2.337 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCc1ccc(OC)cc1Cl ZINC000183738781 356179240 /nfs/dbraw/zinc/17/92/40/356179240.db2.gz DGJTXHNGTSCEOX-GFCCVEGCSA-N 0 0 312.797 2.127 10 30 DEEERN C[C@H](C#N)CNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000182867766 356149406 /nfs/dbraw/zinc/14/94/06/356149406.db2.gz JVSBIWDKCLZYOW-DGCLKSJQSA-N 0 0 301.346 2.421 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)Nc1nn(C)cc1C(=O)OCC ZINC000184000682 356183281 /nfs/dbraw/zinc/18/32/81/356183281.db2.gz UFXIOMLCRJZQDD-LLVKDONJSA-N 0 0 308.382 2.463 10 30 DEEERN C=CC[C@H](C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1)c1ccccc1 ZINC000618324929 363460065 /nfs/dbraw/zinc/46/00/65/363460065.db2.gz BILFWQCKJTUFOL-BMFZPTHFSA-N 0 0 321.442 2.428 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@H]1CCCc2cc(OC)ccc21 ZINC000184200607 356187946 /nfs/dbraw/zinc/18/79/46/356187946.db2.gz ZFDYCDZYQUQKBR-CABCVRRESA-N 0 0 318.417 2.351 10 30 DEEERN C#C[C@@H](NN)c1cc(Cl)ccc1I ZINC000236177565 356289502 /nfs/dbraw/zinc/28/95/02/356289502.db2.gz SVSNXTDEWDAWTI-SECBINFHSA-N 0 0 306.534 2.082 10 30 DEEERN COc1ccc([C@H]2OCC[C@@H]2Nc2nc(C)cc(C#N)n2)cn1 ZINC000284630728 356369629 /nfs/dbraw/zinc/36/96/29/356369629.db2.gz UUZHMOREGISSBP-DZGCQCFKSA-N 0 0 311.345 2.002 10 30 DEEERN COc1cc(CC#N)c(I)c(OC)c1 ZINC000307023405 356407008 /nfs/dbraw/zinc/40/70/08/356407008.db2.gz FUOIKBFKAZCKRT-UHFFFAOYSA-N 0 0 303.099 2.374 10 30 DEEERN CN(C[C@@H]1CCc2nccn2C1)C(=O)NC[C@H]1CCCS1 ZINC000328625405 356463439 /nfs/dbraw/zinc/46/34/39/356463439.db2.gz KRCBHYUMTQBITG-QWHCGFSZSA-N 0 0 308.451 2.187 10 30 DEEERN CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2cccs2)cc1 ZINC000005726274 181276779 /nfs/dbraw/zinc/27/67/79/181276779.db2.gz USCZKPXVNVRLRC-NTEUORMPSA-N 0 0 323.399 2.019 10 30 DEEERN CC(=O)N(C[C@H]1CCCN1C(=O)Nc1ccc(C)nc1)C1CC1 ZINC000328629787 356464160 /nfs/dbraw/zinc/46/41/60/356464160.db2.gz IQTKYRLNCGYZKV-MRXNPFEDSA-N 0 0 316.405 2.411 10 30 DEEERN CC(=O)N(C[C@H]1CCCN1C(=O)NCc1cscn1)C1CC1 ZINC000328635545 356464979 /nfs/dbraw/zinc/46/49/79/356464979.db2.gz NJYLLORPJUFHIV-CQSZACIVSA-N 0 0 322.434 2.032 10 30 DEEERN CCc1ccc([C@H]2COCCN2C(=O)c2cc(C#N)cn2C)o1 ZINC000081547365 192287463 /nfs/dbraw/zinc/28/74/63/192287463.db2.gz NKEOQGPOWPTBKQ-OAHLLOKOSA-N 0 0 313.357 2.266 10 30 DEEERN COCCN(C(=O)c1cc(C#N)cn1C)c1ccc(C#N)cc1 ZINC000081548570 192288857 /nfs/dbraw/zinc/28/88/57/192288857.db2.gz LQKJTEVDHQLTOO-UHFFFAOYSA-N 0 0 308.341 2.062 10 30 DEEERN CNc1ncc(S(=O)(=O)N(CCC#N)C(C)C)cc1Cl ZINC000081694329 192313855 /nfs/dbraw/zinc/31/38/55/192313855.db2.gz PDGAUWAFDBAMOI-UHFFFAOYSA-N 0 0 316.814 2.089 10 30 DEEERN C=CCOCCCNC(=O)c1cccnc1N1CCCCC1 ZINC000618521203 363514348 /nfs/dbraw/zinc/51/43/48/363514348.db2.gz PXXSYZBEBOJUJR-UHFFFAOYSA-N 0 0 303.406 2.394 10 30 DEEERN C=CCOCCCNC(=O)CCN1C(=O)CCc2ccccc21 ZINC000618523882 363515611 /nfs/dbraw/zinc/51/56/11/363515611.db2.gz TUXQIUTUCYICDL-UHFFFAOYSA-N 0 0 316.401 2.065 10 30 DEEERN C=CCOCCCNC(=O)Cn1c(C)nc2cc(F)c(F)cc21 ZINC000618524350 363515865 /nfs/dbraw/zinc/51/58/65/363515865.db2.gz BYLIIFWBPZAVBI-UHFFFAOYSA-N 0 0 323.343 2.332 10 30 DEEERN C=CCOCCCNC(=O)c1cccc(-c2nnc(C)o2)c1 ZINC000618523650 363516158 /nfs/dbraw/zinc/51/61/58/363516158.db2.gz LSERACGMPNKDBA-UHFFFAOYSA-N 0 0 301.346 2.368 10 30 DEEERN C=CCn1c(N2CCO[C@@H](CC)C2)nnc1[C@@]1(C)CCCO1 ZINC000578294984 356791021 /nfs/dbraw/zinc/79/10/21/356791021.db2.gz ZKPAPKNGMKXXEV-XJKSGUPXSA-N 0 0 306.410 2.105 10 30 DEEERN C=CCn1cc(CNC(=O)N2CCc3cc(F)c(F)cc32)nn1 ZINC000579230878 356942069 /nfs/dbraw/zinc/94/20/69/356942069.db2.gz CWWVWLHOKOBIPL-UHFFFAOYSA-N 0 0 319.315 2.015 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(-c2csnn2)cc1 ZINC000578987835 356902991 /nfs/dbraw/zinc/90/29/91/356902991.db2.gz GDPIGRFVUKITBF-GFCCVEGCSA-N 0 0 304.375 2.264 10 30 DEEERN C=CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C2CC2)C1 ZINC000579437649 356972382 /nfs/dbraw/zinc/97/23/82/356972382.db2.gz HUPXNMKHZRNCCS-HUUCEWRRSA-N 0 0 318.421 2.321 10 30 DEEERN N#Cc1cnc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)cn1 ZINC000106463648 283231957 /nfs/dbraw/zinc/23/19/57/283231957.db2.gz OPDLDUHKFYUYAF-ZDUSSCGKSA-N 0 0 323.404 2.050 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCc1nn(C)c2ccccc12 ZINC000581106129 357129713 /nfs/dbraw/zinc/12/97/13/357129713.db2.gz LBLPORMJKFEVJM-RHSMWYFYSA-N 0 0 313.401 2.213 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000581809899 357249645 /nfs/dbraw/zinc/24/96/45/357249645.db2.gz WMXDBWASCHEROM-PZSREKOKSA-N 0 0 318.348 2.184 10 30 DEEERN CCCN(CC(C)C)C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586863650 357377606 /nfs/dbraw/zinc/37/76/06/357377606.db2.gz WBGVPTNNRLLJRF-UHFFFAOYSA-N 0 0 319.380 2.208 10 30 DEEERN CO[C@]1(C(F)(F)F)CCCN(c2nc(C)cc(C#N)n2)C1 ZINC000588026802 357390106 /nfs/dbraw/zinc/39/01/06/357390106.db2.gz CUWJUCIZKIESKB-GFCCVEGCSA-N 0 0 300.284 2.204 10 30 DEEERN C=CCCOCC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000588143472 357396459 /nfs/dbraw/zinc/39/64/59/357396459.db2.gz HWLKHIMOYJOTSF-OAHLLOKOSA-N 0 0 318.417 2.230 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000618710807 363583014 /nfs/dbraw/zinc/58/30/14/363583014.db2.gz JMJZYMVJWGVIRP-FZKQIMNGSA-N 0 0 317.385 2.369 10 30 DEEERN N#Cc1ccc(C2(C(=O)N3CCC(F)(F)[C@@H](CO)C3)CC2)cc1 ZINC000589724954 357493161 /nfs/dbraw/zinc/49/31/61/357493161.db2.gz IRGUNSKRTMVVMR-CQSZACIVSA-N 0 0 320.339 2.066 10 30 DEEERN C=CCNC(=O)c1cccc(-c2noc(CC3(C#N)CC3)n2)c1 ZINC000590267393 357528688 /nfs/dbraw/zinc/52/86/88/357528688.db2.gz ANLUGUGVEKCJLG-UHFFFAOYSA-N 0 0 308.341 2.499 10 30 DEEERN C=C(C)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(C)CCCO1 ZINC000590780708 357610713 /nfs/dbraw/zinc/61/07/13/357610713.db2.gz UJVRWRVHQYDMII-HZPDHXFCSA-N 0 0 319.384 2.322 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H](C)C#N ZINC000591649793 357748207 /nfs/dbraw/zinc/74/82/07/357748207.db2.gz OPDLLEKSRHPXIY-KBPBESRZSA-N 0 0 303.410 2.344 10 30 DEEERN CC[C@H]1CN(C(=O)c2ccc(C#N)c(C)n2)CCN1CC(F)F ZINC000179416160 199031731 /nfs/dbraw/zinc/03/17/31/199031731.db2.gz OCFRDOQOHWCYIK-ZDUSSCGKSA-N 0 0 322.359 2.063 10 30 DEEERN C=CCN(CCOC)S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593580056 358106063 /nfs/dbraw/zinc/10/60/63/358106063.db2.gz BFBDDTLQIBPEKH-UHFFFAOYSA-N 0 0 322.430 2.311 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000185222929 199826314 /nfs/dbraw/zinc/82/63/14/199826314.db2.gz KOSSIACEJMPOOF-DOMZBBRYSA-N 0 0 316.405 2.496 10 30 DEEERN C=CCCn1cc(C[S@@](=O)CCc2scnc2C)nn1 ZINC000593938611 358174665 /nfs/dbraw/zinc/17/46/65/358174665.db2.gz NTOYHXXNYSFUGE-FQEVSTJZSA-N 0 0 310.448 2.111 10 30 DEEERN C=CCCn1cc(C[S@@](=O)Cc2ccc(COC)cc2)nn1 ZINC000593937687 358174705 /nfs/dbraw/zinc/17/47/05/358174705.db2.gz WOGHGYITAFUYFJ-QFIPXVFZSA-N 0 0 319.430 2.450 10 30 DEEERN C=CCCn1cc(CN[C@H](C(=O)OC)C2CCCCC2)nn1 ZINC000593970812 358181672 /nfs/dbraw/zinc/18/16/72/358181672.db2.gz ZCTPPQYRAYAQJR-HNNXBMFYSA-N 0 0 306.410 2.066 10 30 DEEERN C=CCCCCCNS(=O)(=O)CC1(C(=O)OC)CCCC1 ZINC000594475032 358280197 /nfs/dbraw/zinc/28/01/97/358280197.db2.gz RMUUIUIMRFUFNO-UHFFFAOYSA-N 0 0 317.451 2.386 10 30 DEEERN C=CCCn1cc(CSCc2cn(CC3CC3)nn2)nn1 ZINC000594560107 358294543 /nfs/dbraw/zinc/29/45/43/358294543.db2.gz QLPWBNJZWSFSNL-UHFFFAOYSA-N 0 0 304.423 2.289 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)CC(C)(C)C(=O)OC ZINC000594789302 358337400 /nfs/dbraw/zinc/33/74/00/358337400.db2.gz KVJVDKHBNWVJCE-QWHCGFSZSA-N 0 0 317.451 2.240 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2Cc1noc(CCCC(=O)OC)n1 ZINC000595845709 358563007 /nfs/dbraw/zinc/56/30/07/358563007.db2.gz UWONVFYHEDIGSU-BETUJISGSA-N 0 0 305.378 2.248 10 30 DEEERN C[C@@]1(C#N)CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000596530956 358707330 /nfs/dbraw/zinc/70/73/30/358707330.db2.gz HOLFWDCFLGNSRQ-NSHDSACASA-N 0 0 311.139 2.492 10 30 DEEERN N#Cc1cc(Br)cnc1N1CC[C@@H]2COC[C@@H]2C1 ZINC000596531808 358707676 /nfs/dbraw/zinc/70/76/76/358707676.db2.gz XJGOUSYDHGAMKZ-KOLCDFICSA-N 0 0 308.179 2.188 10 30 DEEERN CN1CCN(Cc2ccccc2)[C@@H](CNc2ncccc2C#N)C1 ZINC000596553292 358712157 /nfs/dbraw/zinc/71/21/57/358712157.db2.gz YKWGRHXLHFWPOZ-SFHVURJKSA-N 0 0 321.428 2.181 10 30 DEEERN C=CCSCCNC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC000596972884 358796977 /nfs/dbraw/zinc/79/69/77/358796977.db2.gz LRVWRBMXGLLWJB-UHFFFAOYSA-N 0 0 306.309 2.455 10 30 DEEERN C=CCOCCNC(=O)Nc1cccnc1C(=O)OC(C)(C)C ZINC000596989953 358801408 /nfs/dbraw/zinc/80/14/08/358801408.db2.gz WBFCLFIAWSSKGC-UHFFFAOYSA-N 0 0 321.377 2.361 10 30 DEEERN C=CCn1cc(CNCc2ccc(C(=O)OC)c(Cl)c2)nn1 ZINC000597155632 358837681 /nfs/dbraw/zinc/83/76/81/358837681.db2.gz JJSPLUJHSPANJN-UHFFFAOYSA-N 0 0 320.780 2.194 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H](CC)CSC ZINC000597304885 358884471 /nfs/dbraw/zinc/88/44/71/358884471.db2.gz GDUOFVCQKBYGQH-MCIONIFRSA-N 0 0 312.479 2.495 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C(=O)OC)c(F)c1 ZINC000597390321 358906697 /nfs/dbraw/zinc/90/66/97/358906697.db2.gz NFXKDJCDKYAQHR-CQSZACIVSA-N 0 0 322.336 2.022 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(C(=O)OC)oc1C ZINC000597609537 358962052 /nfs/dbraw/zinc/96/20/52/358962052.db2.gz KCQKMUASGOIRLE-SMDDNHRTSA-N 0 0 307.346 2.086 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000597627185 358967373 /nfs/dbraw/zinc/96/73/73/358967373.db2.gz LDAVPSSMGGSFGH-HNNXBMFYSA-N 0 0 319.792 2.299 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000597491856 358931755 /nfs/dbraw/zinc/93/17/55/358931755.db2.gz KUWOPGLDLWIWLI-GFCCVEGCSA-N 0 0 321.333 2.013 10 30 DEEERN C=CCC[C@@H](NC(=O)c1cc(C(=O)OC)oc1C)C(=O)OCC ZINC000597733384 358993112 /nfs/dbraw/zinc/99/31/12/358993112.db2.gz TVNFGFJTPYAWRS-GFCCVEGCSA-N 0 0 323.345 2.002 10 30 DEEERN C=C[C@@](C)(O)C(=O)N1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000598148750 359107460 /nfs/dbraw/zinc/10/74/60/359107460.db2.gz ZGABALOIOAPAFV-QGZVFWFLSA-N 0 0 311.422 2.284 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000598149829 359108624 /nfs/dbraw/zinc/10/86/24/359108624.db2.gz WJJMKJMMPNULQE-HBUWYVDXSA-N 0 0 323.433 2.405 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000185968100 199910917 /nfs/dbraw/zinc/91/09/17/199910917.db2.gz PAABTIYWSLGLHZ-UKRRQHHQSA-N 0 0 309.431 2.491 10 30 DEEERN C=CCSCCNC(=O)NC[C@@]1(C)COc2ccccc2O1 ZINC000598978655 359375125 /nfs/dbraw/zinc/37/51/25/359375125.db2.gz PZSJMSWYZOGHKB-INIZCTEOSA-N 0 0 322.430 2.435 10 30 DEEERN C=CC(C)(C)CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000599116071 359406243 /nfs/dbraw/zinc/40/62/43/359406243.db2.gz CIUZNVLWIGIKND-UHFFFAOYSA-N 0 0 313.379 2.256 10 30 DEEERN C=CCCSCCNC(=O)C(=O)N1CCCC2(CC2)CC1 ZINC000599571396 359529684 /nfs/dbraw/zinc/52/96/84/359529684.db2.gz FZXQRSKMCHTVEI-UHFFFAOYSA-N 0 0 310.463 2.205 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(OC)c(C#N)cc1F ZINC000599952680 359625671 /nfs/dbraw/zinc/62/56/71/359625671.db2.gz XIDGLVOXXHPRJK-UHFFFAOYSA-N 0 0 319.336 2.069 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CSCC(=O)N2CCCCC2)C1 ZINC000600213463 359692526 /nfs/dbraw/zinc/69/25/26/359692526.db2.gz GLZWGANEVSIDCK-AWEZNQCLSA-N 0 0 310.463 2.157 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)OC ZINC000600435415 359741799 /nfs/dbraw/zinc/74/17/99/359741799.db2.gz KWXFJABZVDOWQA-HIFRSBDPSA-N 0 0 309.406 2.229 10 30 DEEERN C#CCOc1ccccc1NC(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000188096593 200193295 /nfs/dbraw/zinc/19/32/95/200193295.db2.gz DZOMECQQYHEMJF-CYBMUJFWSA-N 0 0 316.357 2.116 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc2c(n1)CCC2 ZINC000627686028 366591388 /nfs/dbraw/zinc/59/13/88/366591388.db2.gz RDCFQSCPKPHOJQ-UHFFFAOYSA-N 0 0 301.390 2.227 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCC)c(C)n2)C1 ZINC000627733652 366603739 /nfs/dbraw/zinc/60/37/39/366603739.db2.gz ZPKMMCZXQHGVKS-CYBMUJFWSA-N 0 0 317.389 2.152 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)CCCCC(=O)OC)cc1 ZINC000188791437 200304156 /nfs/dbraw/zinc/30/41/56/200304156.db2.gz GTVMYKGKRYGNIQ-UHFFFAOYSA-N 0 0 318.373 2.274 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1ccccc1C(=O)OC(C)(C)C ZINC000601438564 360040704 /nfs/dbraw/zinc/04/07/04/360040704.db2.gz BICXCPBCKMFJFY-AWEZNQCLSA-N 0 0 319.401 2.238 10 30 DEEERN C=CCCC(C)(C)CNS(=O)(=O)C1(CC(=O)OCC)CC1 ZINC000601497912 360054524 /nfs/dbraw/zinc/05/45/24/360054524.db2.gz HUCOZQWGPYCPDH-UHFFFAOYSA-N 0 0 317.451 2.384 10 30 DEEERN C=C1CC(C)(C(=O)N2CCC[C@@](COC)(C(=O)OCC)C2)C1 ZINC000601557198 360071712 /nfs/dbraw/zinc/07/17/12/360071712.db2.gz MOZQGGLVWMDVET-QGZVFWFLSA-N 0 0 309.406 2.161 10 30 DEEERN C=CC[C@@H](C(=O)N1CCO[C@@]2(CCOC2)C1)c1ccccc1 ZINC000189143302 200356199 /nfs/dbraw/zinc/35/61/99/200356199.db2.gz OWANRRRYPMYXFZ-AEFFLSMTSA-N 0 0 301.386 2.364 10 30 DEEERN C=C1CC(C)(C(=O)NCc2nc3cc(C(=O)OC)ccc3[nH]2)C1 ZINC000601583553 360079022 /nfs/dbraw/zinc/07/90/22/360079022.db2.gz QQDHIFPABDIMPM-UHFFFAOYSA-N 0 0 313.357 2.322 10 30 DEEERN C=C1CC(C)(C(=O)NCCc2ccc(C(=O)OC)cc2OC)C1 ZINC000601608605 360086669 /nfs/dbraw/zinc/08/66/69/360086669.db2.gz WLMOBJWNBBGJHY-UHFFFAOYSA-N 0 0 317.385 2.497 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H](C)Oc1ccccc1F)C(=O)OC ZINC000601777603 360143458 /nfs/dbraw/zinc/14/34/58/360143458.db2.gz HWZPQAZPBVSCRN-AAEUAGOBSA-N 0 0 309.337 2.217 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cncc(OC(C)C)c1)C(=O)OC ZINC000601782409 360146875 /nfs/dbraw/zinc/14/68/75/360146875.db2.gz OSRGOSMSZHXDCB-AWEZNQCLSA-N 0 0 306.362 2.106 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cccc(NC(=O)CC)c1)C(=O)OC ZINC000601784845 360147632 /nfs/dbraw/zinc/14/76/32/360147632.db2.gz HWDNQOABKDAWCW-AWEZNQCLSA-N 0 0 318.373 2.273 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H]1CCN(C)c2ccccc21)C(=O)OC ZINC000601783335 360147995 /nfs/dbraw/zinc/14/79/95/360147995.db2.gz VSAZWZQZSSYIFW-LSDHHAIUSA-N 0 0 316.401 2.234 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1csc(C(F)(F)F)n1)C(=O)OC ZINC000601785872 360148434 /nfs/dbraw/zinc/14/84/34/360148434.db2.gz DSLDHWUSDLZZLB-SSDOTTSWSA-N 0 0 322.308 2.400 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cc1ccc2c(c1)CCCO2)C(=O)OC ZINC000601785765 360148682 /nfs/dbraw/zinc/14/86/82/360148682.db2.gz UYKKGKIJFMGCOX-OAHLLOKOSA-N 0 0 317.385 2.178 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1csc([C@H]2CCCO2)n1)C(=O)OC ZINC000601787222 360149840 /nfs/dbraw/zinc/14/98/40/360149840.db2.gz KVBTYDQHZBVFRQ-CMPLNLGQSA-N 0 0 324.402 2.232 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(C)n([C@H](C)C2CC2)n1)C(=O)OC ZINC000601787726 360150474 /nfs/dbraw/zinc/15/04/74/360150474.db2.gz NPIIDYZQWYQFDQ-DOMZBBRYSA-N 0 0 319.405 2.400 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)C(=O)OC ZINC000601787717 360150559 /nfs/dbraw/zinc/15/05/59/360150559.db2.gz NMEGMPJZLFAPAT-ZDUSSCGKSA-N 0 0 306.749 2.449 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccccc1OC1CC1)C(=O)OC ZINC000602414058 360361122 /nfs/dbraw/zinc/36/11/22/360361122.db2.gz MFPLLDUFEUZZSO-AWEZNQCLSA-N 0 0 303.358 2.465 10 30 DEEERN N#CC1CCC(CNC(=O)N[C@H](CO)c2cccc(F)c2)CC1 ZINC000441015741 238003273 /nfs/dbraw/zinc/00/32/73/238003273.db2.gz ZGKGGTWYAXBWLI-SEEARECTSA-N 0 0 319.380 2.488 10 30 DEEERN C=C(C)C[C@H](NCc1cc2c(c(OC)c1)OCO2)C(=O)OC ZINC000602732543 360524768 /nfs/dbraw/zinc/52/47/68/360524768.db2.gz RPPNOYRZIHLNTF-LBPRGKRZSA-N 0 0 307.346 2.021 10 30 DEEERN C=C(C)C[C@@H](NCc1ccc(-n2cncn2)c(F)c1)C(=O)OC ZINC000602733829 360525355 /nfs/dbraw/zinc/52/53/55/360525355.db2.gz LJDGTCMOVHBDJZ-CQSZACIVSA-N 0 0 318.352 2.004 10 30 DEEERN Cc1cc(NC(=O)NCC2CCC(C#N)CC2)c(=O)n(C)c1 ZINC000441621471 238028118 /nfs/dbraw/zinc/02/81/18/238028118.db2.gz IWUVWGMCWVCPTR-UHFFFAOYSA-N 0 0 302.378 2.145 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)c1cccc(F)c1OC(F)(F)F ZINC000627977576 366682830 /nfs/dbraw/zinc/68/28/30/366682830.db2.gz SYWQFFITUOTDIM-VIFPVBQESA-N 0 0 319.254 2.228 10 30 DEEERN C=CCCSCCNC(=O)Nc1ccc(C(=O)N(C)C)cn1 ZINC000603142643 360718561 /nfs/dbraw/zinc/71/85/61/360718561.db2.gz MFPYHRDOTKZUDC-UHFFFAOYSA-N 0 0 322.434 2.214 10 30 DEEERN CN(CC(=O)N(CCC#N)CC1CC1)c1ccc(Cl)cn1 ZINC000609142349 361283450 /nfs/dbraw/zinc/28/34/50/361283450.db2.gz JHJLBNURJGOGDO-UHFFFAOYSA-N 0 0 306.797 2.323 10 30 DEEERN CC(C)c1nc2c(n1C)CCN(C(=O)c1ccnc(C#N)c1)C2 ZINC000193245389 201012190 /nfs/dbraw/zinc/01/21/90/201012190.db2.gz FVUZEUFGEMLFAV-UHFFFAOYSA-N 0 0 309.373 2.009 10 30 DEEERN N#Cc1cc(C(=O)N[C@H]2CCCN(c3ccccc3F)C2)ccn1 ZINC000193710500 201108294 /nfs/dbraw/zinc/10/82/94/201108294.db2.gz ZQDFKQHFSXJSBC-AWEZNQCLSA-N 0 0 324.359 2.491 10 30 DEEERN CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1ccnc(C#N)c1 ZINC000193722733 201112296 /nfs/dbraw/zinc/11/22/96/201112296.db2.gz RQFMDWCUHVHARQ-UHFFFAOYSA-N 0 0 303.362 2.146 10 30 DEEERN Cc1cccc(NC(=O)C(=O)NC[C@@H](C)c2ccncc2)c1C#N ZINC000610537820 361418226 /nfs/dbraw/zinc/41/82/26/361418226.db2.gz GTHYGUYJWGMKHI-CYBMUJFWSA-N 0 0 322.368 2.120 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCc2c[nH]nc2C1 ZINC000611009219 361512572 /nfs/dbraw/zinc/51/25/72/361512572.db2.gz HYLCRXRLBGGOLT-KRWDZBQOSA-N 0 0 324.384 2.270 10 30 DEEERN C[C@H](C[C@@H]1CCOC1)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000611543390 361627371 /nfs/dbraw/zinc/62/73/71/361627371.db2.gz GTTWMZUOFIESLL-IGCXYCKISA-N 0 0 324.421 2.179 10 30 DEEERN Cn1cc(C(=O)N2CCC(C)(C#N)CC2)c(-c2cccnc2)n1 ZINC000611561190 361632457 /nfs/dbraw/zinc/63/24/57/361632457.db2.gz HNRPLQCEKUBJGQ-UHFFFAOYSA-N 0 0 309.373 2.248 10 30 DEEERN CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(C2CCC2)n1C ZINC000611614548 361644612 /nfs/dbraw/zinc/64/46/12/361644612.db2.gz BHDZQSIHMQHRRD-HNNXBMFYSA-N 0 0 321.450 2.229 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](COC)c1ccc(Cl)cc1 ZINC000194643133 201267867 /nfs/dbraw/zinc/26/78/67/201267867.db2.gz HIJUHLHMADXRAX-KGLIPLIRSA-N 0 0 312.797 2.264 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000611627999 361647763 /nfs/dbraw/zinc/64/77/63/361647763.db2.gz AJNXXFOTKSHKJM-CMPLNLGQSA-N 0 0 322.409 2.015 10 30 DEEERN C=CCCC1(CNC(=O)C(=O)N[C@H]2CC[C@H](O)CC2)CCCC1 ZINC000611995042 361722019 /nfs/dbraw/zinc/72/20/19/361722019.db2.gz NKNPPTRSAGGUKL-SHTZXODSSA-N 0 0 322.449 2.049 10 30 DEEERN C=CCOCCCNC(=O)C(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC000612023197 361726535 /nfs/dbraw/zinc/72/65/35/361726535.db2.gz RLXNNUYSVSUNHC-MRXNPFEDSA-N 0 0 322.449 2.170 10 30 DEEERN C[C@@H](C(=O)N1CC[C@@H](C)[C@@H]2CCCC[C@@H]21)n1cnc(C#N)n1 ZINC000619586930 363834417 /nfs/dbraw/zinc/83/44/17/363834417.db2.gz UFSIXVNRIKDECA-RFGFWPKPSA-N 0 0 301.394 2.138 10 30 DEEERN C=CCOC[C@@H](NCc1cccc2cnccc21)C(=O)OC ZINC000619509424 363816033 /nfs/dbraw/zinc/81/60/33/363816033.db2.gz JEOJSDYEYFOJMI-MRXNPFEDSA-N 0 0 300.358 2.069 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 ZINC000619730989 363868625 /nfs/dbraw/zinc/86/86/25/363868625.db2.gz QDHNZLCBDPFAAI-QGZVFWFLSA-N 0 0 315.348 2.208 10 30 DEEERN CO[C@H]1CCN(C(=O)NCc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000619668907 363851019 /nfs/dbraw/zinc/85/10/19/363851019.db2.gz WRZGRUHWCVZLQJ-FZMZJTMJSA-N 0 0 305.353 2.406 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1OCCOC ZINC000620313049 364014340 /nfs/dbraw/zinc/01/43/40/364014340.db2.gz TYYVANVDGJDBFO-OKILXGFUSA-N 0 0 302.374 2.430 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NCC1(CC(N)=O)CCCCC1 ZINC000620704334 364130581 /nfs/dbraw/zinc/13/05/81/364130581.db2.gz BDMWBSZAMSMMSF-MRXNPFEDSA-N 0 0 310.438 2.157 10 30 DEEERN C=CCOc1cccc(NC(=O)C(=O)NCC[C@@H]2CC2(F)F)c1 ZINC000621631828 364480808 /nfs/dbraw/zinc/48/08/08/364480808.db2.gz KKFMLNHMCDRKMG-LLVKDONJSA-N 0 0 324.327 2.351 10 30 DEEERN C=CC[C@H]1CCN(C(=O)[C@H](C)n2nnc(-c3ccccc3)n2)C1 ZINC000628489395 366865168 /nfs/dbraw/zinc/86/51/68/366865168.db2.gz VUQDDWPNVQZFJA-KBPBESRZSA-N 0 0 311.389 2.326 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cn(Cc3cccs3)nn2)C1 ZINC000628489321 366865364 /nfs/dbraw/zinc/86/53/64/366865364.db2.gz UCTOWCALLFAPFG-GFCCVEGCSA-N 0 0 302.403 2.426 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@@H](CS(C)(=O)=O)c2ccccc2)C1 ZINC000628491743 366866590 /nfs/dbraw/zinc/86/65/90/366866590.db2.gz GSLVPQPAXBMIRD-ZBFHGGJFSA-N 0 0 321.442 2.239 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(C)(c2ccccc2)C1 ZINC000623035105 364864279 /nfs/dbraw/zinc/86/42/79/364864279.db2.gz RAOYDDBVHDCOTP-MRXNPFEDSA-N 0 0 300.402 2.257 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC000623591852 365093648 /nfs/dbraw/zinc/09/36/48/365093648.db2.gz JQCQCHQGHHSVEJ-ZDUSSCGKSA-N 0 0 319.380 2.163 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)C1 ZINC000624076854 365276961 /nfs/dbraw/zinc/27/69/61/365276961.db2.gz GJBWFRCQGKIOSE-WCXIOVBPSA-N 0 0 319.449 2.241 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)C1 ZINC000624182151 365323151 /nfs/dbraw/zinc/32/31/51/365323151.db2.gz SDFHVPMCRJHZGM-RBSFLKMASA-N 0 0 318.421 2.248 10 30 DEEERN N#C[C@@H]1CNCCN1Cc1cc(Cl)ccc1OC(F)F ZINC000091748368 193100915 /nfs/dbraw/zinc/10/09/15/193100915.db2.gz XKEKFJJKZXHCEE-LLVKDONJSA-N 0 0 301.724 2.239 10 30 DEEERN CC#CC[C@H](CO)Nc1nccc(N2Cc3ccccc3C2)n1 ZINC000624337709 365386805 /nfs/dbraw/zinc/38/68/05/365386805.db2.gz OCOZXNTZVFFFKQ-MRXNPFEDSA-N 0 0 308.385 2.183 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC(Cn2ccnn2)CC1 ZINC000624464788 365431401 /nfs/dbraw/zinc/43/14/01/365431401.db2.gz POEKIXHJDVEENE-UHFFFAOYSA-N 0 0 305.426 2.302 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000624465445 365431982 /nfs/dbraw/zinc/43/19/82/365431982.db2.gz QIJNQHYGCGLJSX-AWEZNQCLSA-N 0 0 319.453 2.290 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@@H]2[C@@H](c3ccccc3)C2(C)C)C1=O ZINC000629481052 367215224 /nfs/dbraw/zinc/21/52/24/367215224.db2.gz BIVBHQMYHZDOGE-RRFJBIMHSA-N 0 0 314.385 2.302 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CC[C@@H](CO)C[C@H]2C)cc1 ZINC000629673563 367296266 /nfs/dbraw/zinc/29/62/66/367296266.db2.gz VWBXQZPHEOHVAT-GDBMZVCRSA-N 0 0 303.402 2.413 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cccc(C(=O)NCCC)c2)C1=O ZINC000630502608 367693541 /nfs/dbraw/zinc/69/35/41/367693541.db2.gz KSNPTMNUNQXEAS-AWEZNQCLSA-N 0 0 315.373 2.217 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cccc(-c3noc(C)n3)c2)C1=O ZINC000630506190 367694921 /nfs/dbraw/zinc/69/49/21/367694921.db2.gz VZARUHXXZBETPX-CYBMUJFWSA-N 0 0 312.329 2.436 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cc(OC)c(OC)cc2C)C1=O ZINC000630507802 367696259 /nfs/dbraw/zinc/69/62/59/367696259.db2.gz BNEIQMJSKPZFEO-NSHDSACASA-N 0 0 304.346 2.403 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2ccc(N3CCCC3)nc2)C1=O ZINC000630512689 367698733 /nfs/dbraw/zinc/69/87/33/367698733.db2.gz SJNOQRJWQRMWLD-ZDUSSCGKSA-N 0 0 300.362 2.073 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2cccnc2OC(C)C)C1=O ZINC000630970017 367942695 /nfs/dbraw/zinc/94/26/95/367942695.db2.gz JLXMZZMKRBLHNU-CYBMUJFWSA-N 0 0 303.362 2.255 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H](C)c2ccc3[nH]c(=O)oc3c2)C1=O ZINC000630996956 367959531 /nfs/dbraw/zinc/95/95/31/367959531.db2.gz YHADIAPSKRKSOZ-SKDRFNHKSA-N 0 0 315.329 2.481 10 30 DEEERN C=C1CC(C)(C(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)C1 ZINC000631814165 368399153 /nfs/dbraw/zinc/39/91/53/368399153.db2.gz DSQFNCKRAHNJKM-LLVKDONJSA-N 0 0 311.328 2.177 10 30 DEEERN COC(=O)[C@@H]1CCN(C(=O)c2ccnc(C#N)c2)c2ccccc21 ZINC000193721220 284051633 /nfs/dbraw/zinc/05/16/33/284051633.db2.gz SKFGYIIGTNDGLT-OAHLLOKOSA-N 0 0 321.336 2.260 10 30 DEEERN C=C(C)CCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000451802144 243482530 /nfs/dbraw/zinc/48/25/30/243482530.db2.gz KPHLBFZXXTXXJZ-UHFFFAOYSA-N 0 0 317.794 2.356 10 30 DEEERN C=CCCCN(C)C(=O)c1cn(C)nc1-c1cnn(CC)c1 ZINC000275049603 212094048 /nfs/dbraw/zinc/09/40/48/212094048.db2.gz VHQDZHHWURTRGM-UHFFFAOYSA-N 0 0 301.394 2.342 10 30 DEEERN C=C(C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000452725717 244552276 /nfs/dbraw/zinc/55/22/76/244552276.db2.gz SWYBUTJUYBTAJD-CQSZACIVSA-N 0 0 304.415 2.284 10 30 DEEERN CC(C)N[C@@]1(C#N)CC[C@@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093807044 193310329 /nfs/dbraw/zinc/31/03/29/193310329.db2.gz QCXHHJZMWLNNKX-RISCZKNCSA-N 0 0 309.439 2.057 10 30 DEEERN CN(C)c1nnc(S[C@H]2CC[C@](C#N)(NC3CC3)C2)s1 ZINC000093822067 193313133 /nfs/dbraw/zinc/31/31/33/193313133.db2.gz NWBVKCNGFOECHN-GWCFXTLKSA-N 0 0 309.464 2.263 10 30 DEEERN CCO[C@@H]1CCCN(C(=O)c2csc(C#CCCO)c2)C1 ZINC000093974563 193332978 /nfs/dbraw/zinc/33/29/78/193332978.db2.gz JVGBLUQQCQAWIH-CQSZACIVSA-N 0 0 307.415 2.123 10 30 DEEERN COc1cc(C#N)ccc1O[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094636541 193387346 /nfs/dbraw/zinc/38/73/46/193387346.db2.gz UXEQVAMPHATYNJ-STQMWFEESA-N 0 0 309.387 2.301 10 30 DEEERN C=CCN1C(=O)N=C(N)[C@H]1c1ccc(OC)c(Br)c1 ZINC000094516434 193376710 /nfs/dbraw/zinc/37/67/10/193376710.db2.gz YQELGEUBEMKEHD-LLVKDONJSA-N 0 0 324.178 2.478 10 30 DEEERN CO[C@H]1CCC[C@H]1NC(=O)c1cc(C)c(C#CCCO)s1 ZINC000094535092 193377415 /nfs/dbraw/zinc/37/74/15/193377415.db2.gz PRRRGKQACSVELR-OLZOCXBDSA-N 0 0 307.415 2.088 10 30 DEEERN Cc1cc(C(=O)NCc2ccccn2)sc1C#CCCO ZINC000094533650 193377676 /nfs/dbraw/zinc/37/76/76/193377676.db2.gz DEHANLYYTHQITL-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN CC(=O)c1ccc(C#CCNC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000096346109 193614740 /nfs/dbraw/zinc/61/47/40/193614740.db2.gz IWUAMVZDHKJCQL-UHFFFAOYSA-N 0 0 321.332 2.399 10 30 DEEERN N#CCc1cccc(NC(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)c1 ZINC000453669833 245250963 /nfs/dbraw/zinc/25/09/63/245250963.db2.gz JAIWYCUSOFYHPO-CYBMUJFWSA-N 0 0 321.327 2.385 10 30 DEEERN CSc1nc2n(n1)[C@H](c1ccncc1)C1C(=O)CCCC1=N2 ZINC000017052438 182070546 /nfs/dbraw/zinc/07/05/46/182070546.db2.gz FVCAQTCTDPLJSY-CYBMUJFWSA-N 0 0 313.386 2.417 10 30 DEEERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(c2ccc(C#N)nn2)C1 ZINC000160767998 197437176 /nfs/dbraw/zinc/43/71/76/197437176.db2.gz JCUOJCTYQHDKNT-HUUCEWRRSA-N 0 0 322.368 2.131 10 30 DEEERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(c2ccc(C#N)nn2)C1 ZINC000160767732 197436964 /nfs/dbraw/zinc/43/69/64/197436964.db2.gz JCUOJCTYQHDKNT-LSDHHAIUSA-N 0 0 322.368 2.131 10 30 DEEERN C[C@@H](OC1CCCCCC1)C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000329045202 296205208 /nfs/dbraw/zinc/20/52/08/296205208.db2.gz PPFVQMLZNJCXGF-VHDGCEQUSA-N 0 0 322.409 2.302 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCN(c2nccs2)CC1 ZINC000160256203 197396137 /nfs/dbraw/zinc/39/61/37/197396137.db2.gz TXABODQCGGSZAN-UHFFFAOYSA-N 0 0 312.398 2.286 10 30 DEEERN COc1ccc(Br)c(CC(=O)N[C@H](C#N)C2CC2)c1 ZINC000160159705 197390095 /nfs/dbraw/zinc/39/00/95/197390095.db2.gz JIVBDNMLTROLOG-CYBMUJFWSA-N 0 0 323.190 2.419 10 30 DEEERN C[C@@H]1CCCN(S(=O)(=O)N(CCC#N)c2ccccc2)C1 ZINC000021015466 182260611 /nfs/dbraw/zinc/26/06/11/182260611.db2.gz ULSHNSILECIPGJ-CQSZACIVSA-N 0 0 307.419 2.383 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NCCCc1c(C)nn(C)c1C ZINC000454753883 246128594 /nfs/dbraw/zinc/12/85/94/246128594.db2.gz GALWDCOHHZYWAG-CVEARBPZSA-N 0 0 320.437 2.002 10 30 DEEERN C=CCC[C@@H](NC(=O)[C@@H](C)n1nc(C)cc1C)C(=O)OCC ZINC000456631506 247325649 /nfs/dbraw/zinc/32/56/49/247325649.db2.gz SGPIJDMASYQCOF-ZIAGYGMSSA-N 0 0 307.394 2.075 10 30 DEEERN C=CCC[C@H](CO)NC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000456753913 247399296 /nfs/dbraw/zinc/39/92/96/247399296.db2.gz BABSQCOUWCXYNR-CQSZACIVSA-N 0 0 318.348 2.467 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000456759720 247404832 /nfs/dbraw/zinc/40/48/32/247404832.db2.gz RZVLMYHVEXUTRK-APHBMKBZSA-N 0 0 316.401 2.338 10 30 DEEERN C#CCNC(=O)[C@H](C)Sc1ccc(Br)cc1N ZINC000037205677 182872262 /nfs/dbraw/zinc/87/22/62/182872262.db2.gz DDETXDDBPNEFFZ-QMMMGPOBSA-N 0 0 313.220 2.261 10 30 DEEERN CCc1ccccc1Nc1ncnc(N(CC#N)CC#N)c1N ZINC000040688217 183117942 /nfs/dbraw/zinc/11/79/42/183117942.db2.gz QRDHXQPPPWNCGA-UHFFFAOYSA-N 0 0 307.361 2.218 10 30 DEEERN C=CCN(C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccccc1 ZINC000040563877 183103094 /nfs/dbraw/zinc/10/30/94/183103094.db2.gz IBKNISMIEHESPF-UHFFFAOYSA-N 0 0 321.336 2.049 10 30 DEEERN CCOc1ccc([C@H](C#N)N2CCN(C(=O)CC)CC2)cc1 ZINC000041261172 183181976 /nfs/dbraw/zinc/18/19/76/183181976.db2.gz CKPQJFKQGKXEFG-INIZCTEOSA-N 0 0 301.390 2.204 10 30 DEEERN C=CCOC(=O)c1sc(NC(=O)c2ccccn2)nc1C ZINC000041567362 183203456 /nfs/dbraw/zinc/20/34/56/183203456.db2.gz GLRQECHVTNWQCV-UHFFFAOYSA-N 0 0 303.343 2.442 10 30 DEEERN C[C@H](CN(C)C(=O)c1c(Cl)cccc1Cl)/C(N)=N/O ZINC000042458797 183272831 /nfs/dbraw/zinc/27/28/31/183272831.db2.gz WIQSOTRDCWAKLH-SSDOTTSWSA-N 0 0 304.177 2.448 10 30 DEEERN FC(F)(F)CO/N=C/c1cccc(OCC2OCCO2)c1 ZINC000042750559 183304316 /nfs/dbraw/zinc/30/43/16/183304316.db2.gz JCGRSJIXWYERBE-REZTVBANSA-N 0 0 305.252 2.351 10 30 DEEERN Cc1nc(CN(C)C(=O)c2ccc(C#CCO)cc2)cs1 ZINC000044611220 183427132 /nfs/dbraw/zinc/42/71/32/183427132.db2.gz GCRCHYMUEGEKBN-UHFFFAOYSA-N 0 0 300.383 2.068 10 30 DEEERN Cn1ncc(C#N)c1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000106036323 194181455 /nfs/dbraw/zinc/18/14/55/194181455.db2.gz GPSBKCSAXGGTOE-UHFFFAOYSA-N 0 0 305.681 2.106 10 30 DEEERN C=C(C)C[NH+]1CCC(NC(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000106290620 194194281 /nfs/dbraw/zinc/19/42/81/194194281.db2.gz KRTQSTFRLKTEAV-UHFFFAOYSA-N 0 0 310.344 2.441 10 30 DEEERN CC[C@@H](C)[C@H](C)NS(=O)(=O)c1cc(C#CCO)ccc1C ZINC000049106093 183713356 /nfs/dbraw/zinc/71/33/56/183713356.db2.gz NIBRDZIEHDIYOJ-OCCSQVGLSA-N 0 0 309.431 2.052 10 30 DEEERN COc1ccc(Cl)cc1C(=O)N1CCN([C@H](C)C#N)CC1 ZINC000109445046 194263992 /nfs/dbraw/zinc/26/39/92/194263992.db2.gz BCPOZLVPRPUIRB-LLVKDONJSA-N 0 0 307.781 2.018 10 30 DEEERN CC(C)(C#N)N1CCN(Cc2ccc(Br)o2)CC1 ZINC000109458942 194266268 /nfs/dbraw/zinc/26/62/68/194266268.db2.gz AZPMYZZNKUBEOO-UHFFFAOYSA-N 0 0 312.211 2.462 10 30 DEEERN C=CCN[C@@H](C(=O)OC)c1ccc(OC)c(Br)c1 ZINC000051961559 183843285 /nfs/dbraw/zinc/84/32/85/183843285.db2.gz GCJULSIQTMIPIW-GFCCVEGCSA-N 0 0 314.179 2.447 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc2oc(C(=O)OC)cc2c1 ZINC000273451421 210785859 /nfs/dbraw/zinc/78/58/59/210785859.db2.gz CHSASZUFALMNCL-GFCCVEGCSA-N 0 0 318.329 2.278 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NC[C@@]1(O)CCc2ccccc21 ZINC000159320755 197344730 /nfs/dbraw/zinc/34/47/30/197344730.db2.gz AWAUYGWXTQPTAZ-IBGZPJMESA-N 0 0 306.365 2.431 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)NCCCN1CCCC1=O ZINC000058453752 184119531 /nfs/dbraw/zinc/11/95/31/184119531.db2.gz UHIYSZVKROXBTE-UHFFFAOYSA-N 0 0 300.362 2.001 10 30 DEEERN Cc1ccc([C@@H](C)NC(=O)c2ccc(C#CCO)cn2)s1 ZINC000061862439 184190177 /nfs/dbraw/zinc/19/01/77/184190177.db2.gz VMZDMEKEEGUXGT-GFCCVEGCSA-N 0 0 300.383 2.286 10 30 DEEERN C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1C#N ZINC000062189475 184217591 /nfs/dbraw/zinc/21/75/91/184217591.db2.gz ZZMQXBPKJISHKW-ZDUSSCGKSA-N 0 0 300.383 2.468 10 30 DEEERN CC(C)(C#N)NC(=O)CCc1cc2ccc(F)cc2[nH]c1=O ZINC000062195131 184218482 /nfs/dbraw/zinc/21/84/82/184218482.db2.gz KGVYYUIZUUUTSX-UHFFFAOYSA-N 0 0 301.321 2.018 10 30 DEEERN CC1(C)CC[C@H](CNC(=O)NCc2cc(C#N)ccc2F)O1 ZINC000186927696 207368928 /nfs/dbraw/zinc/36/89/28/207368928.db2.gz CXBJARLYRNCBCJ-CYBMUJFWSA-N 0 0 305.353 2.454 10 30 DEEERN C=CCCOCCNc1ccc(C(=O)NC2CCCC2)nn1 ZINC000270234009 208297501 /nfs/dbraw/zinc/29/75/01/208297501.db2.gz PGIXHQUKASQOQX-UHFFFAOYSA-N 0 0 304.394 2.154 10 30 DEEERN C#C[C@H](C)Nc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000158998024 197318264 /nfs/dbraw/zinc/31/82/64/197318264.db2.gz GWMDFZKWDLMSLG-LURJTMIESA-N 0 0 324.100 2.002 10 30 DEEERN Cc1cc(N2CC[C@H](Sc3cccc(C#N)c3)C2=O)n(C)n1 ZINC000158827130 197304370 /nfs/dbraw/zinc/30/43/70/197304370.db2.gz FULXUGWLRIOSAL-AWEZNQCLSA-N 0 0 312.398 2.498 10 30 DEEERN COc1cc(OC)cc([C@@H]2CCN(c3ccc(C#N)nn3)C2)c1 ZINC000301988063 533084795 /nfs/dbraw/zinc/08/47/95/533084795.db2.gz ZWSPXMFHJBHBSZ-GFCCVEGCSA-N 0 0 310.357 2.359 10 30 DEEERN CC[C@@H]1CN(C(=O)c2ccc(C)cc2C#CCO)CCS1 ZINC000157967152 197230905 /nfs/dbraw/zinc/23/09/05/197230905.db2.gz UGHAAICUFJUONA-OAHLLOKOSA-N 0 0 303.427 2.306 10 30 DEEERN C[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccc(-n2cncn2)cc1 ZINC000195325106 533114549 /nfs/dbraw/zinc/11/45/49/533114549.db2.gz NBYDFSKREGHTGF-CYBMUJFWSA-N 0 0 324.388 2.273 10 30 DEEERN C=C(C)CNC(=O)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000156740456 197138061 /nfs/dbraw/zinc/13/80/61/197138061.db2.gz OYMRQTUSNBTSMN-UHFFFAOYSA-N 0 0 315.417 2.475 10 30 DEEERN CN(Cc1ccccc1C#CCO)C(=O)[C@@H]1CCCCS1 ZINC000156271029 197100030 /nfs/dbraw/zinc/10/00/30/197100030.db2.gz LBFOFUSCHFUEHT-INIZCTEOSA-N 0 0 303.427 2.275 10 30 DEEERN C[C@]1(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CCCO1 ZINC000156081300 197084903 /nfs/dbraw/zinc/08/49/03/197084903.db2.gz PXJANWAHERSRKD-CYBMUJFWSA-N 0 0 314.794 2.059 10 30 DEEERN C[C@H](CNc1ccc(C#N)cc1Br)[S@@](C)=O ZINC000120431276 195165630 /nfs/dbraw/zinc/16/56/30/195165630.db2.gz RWLQDWXMGQKROJ-BCTVWOGZSA-N 0 0 301.209 2.500 10 30 DEEERN CCN(CC)C(=O)[C@H]1CCCN1Cc1ccc(C#N)cc1OC ZINC000120718487 195222735 /nfs/dbraw/zinc/22/27/35/195222735.db2.gz BGAYRIAEWQEHGK-MRXNPFEDSA-N 0 0 315.417 2.400 10 30 DEEERN CCCN(CC#N)C(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 ZINC000128454982 195966261 /nfs/dbraw/zinc/96/62/61/195966261.db2.gz WYNVYDBRCXYNOF-GOEBONIOSA-N 0 0 313.401 2.358 10 30 DEEERN CS(=O)(=O)C1CCC(NC(=O)Nc2cccc(C#N)c2)CC1 ZINC000174442164 132509045 /nfs/dbraw/zinc/50/90/45/132509045.db2.gz GLNZGCZNDKTVDK-UHFFFAOYSA-N 0 0 321.402 2.036 10 30 DEEERN COC(=O)[C@@H](C1CC1)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000359601941 133133686 /nfs/dbraw/zinc/13/36/86/133133686.db2.gz UFLYFCGGJCFYBW-QGZVFWFLSA-N 0 0 314.385 2.353 10 30 DEEERN C[C@H](C(=O)Nc1cncc(Cl)c1Cl)n1cnc(C#N)n1 ZINC000361892022 133197981 /nfs/dbraw/zinc/19/79/81/133197981.db2.gz YYOAKBRICPGJSO-ZCFIWIBFSA-N 0 0 311.132 2.051 10 30 DEEERN C=CCS(=O)(=O)CCNC(=O)Nc1ccc(C2CCC2)cn1 ZINC000297148013 404473881 /nfs/dbraw/zinc/47/38/81/404473881.db2.gz RZNGEEPTFVEPSI-UHFFFAOYSA-N 0 0 323.418 2.071 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000173897565 144852305 /nfs/dbraw/zinc/85/23/05/144852305.db2.gz PHEQJMKDXRAQFN-UHFFFAOYSA-N 0 0 317.326 2.337 10 30 DEEERN Cc1cc(N2CCN(C(=O)Nc3cccc(C#N)c3C)CC2)n[nH]1 ZINC000188489441 145012739 /nfs/dbraw/zinc/01/27/39/145012739.db2.gz WBOKPXYELCEADI-UHFFFAOYSA-N 0 0 324.388 2.252 10 30 DEEERN N#Cc1ccc(CSc2nnnn2C[C@@H]2CCCO2)cc1F ZINC000190974411 145051001 /nfs/dbraw/zinc/05/10/01/145051001.db2.gz DWQHAFQSNBZLRJ-LBPRGKRZSA-N 0 0 319.365 2.155 10 30 DEEERN CC(C)C(=O)Nc1ccc(CNC(=O)c2ccnc(C#N)c2)cc1 ZINC000192470046 145073678 /nfs/dbraw/zinc/07/36/78/145073678.db2.gz BEEJHWADDPLPGP-UHFFFAOYSA-N 0 0 322.368 2.478 10 30 DEEERN N#Cc1cc(C(=O)NCCOc2cccc(Cl)c2)ccn1 ZINC000192715818 145077811 /nfs/dbraw/zinc/07/78/11/145077811.db2.gz LYCFCBAMPSRDPK-UHFFFAOYSA-N 0 0 301.733 2.415 10 30 DEEERN CCNC(=O)Nc1cccc(NC(=O)c2ccnc(C#N)c2)c1 ZINC000192962139 145081185 /nfs/dbraw/zinc/08/11/85/145081185.db2.gz NBIBILYDEPVNRG-UHFFFAOYSA-N 0 0 309.329 2.347 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000252647505 145200006 /nfs/dbraw/zinc/20/00/06/145200006.db2.gz XYURATNECAVMQA-ULFGMLNVSA-N 0 0 322.364 2.100 10 30 DEEERN CO[C@H]1C[C@@H](CO)N(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000314348343 145357226 /nfs/dbraw/zinc/35/72/26/145357226.db2.gz PKZNQFKOYUQMHV-RYUDHWBXSA-N 0 0 300.280 2.163 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)c1cnn(C)c1 ZINC000358597551 147163843 /nfs/dbraw/zinc/16/38/43/147163843.db2.gz OEJNKIRAVYIKPK-MRXNPFEDSA-N 0 0 312.373 2.358 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)c1cnn(C)c1 ZINC000358597550 147163888 /nfs/dbraw/zinc/16/38/88/147163888.db2.gz OEJNKIRAVYIKPK-INIZCTEOSA-N 0 0 312.373 2.358 10 30 DEEERN C[C@H](c1ccccc1)[C@@H](NC(=O)c1sccc1C#N)C(N)=O ZINC000359233604 147287715 /nfs/dbraw/zinc/28/77/15/147287715.db2.gz UNBGRNNKQKBLSB-ZWNOBZJWSA-N 0 0 313.382 2.007 10 30 DEEERN N#Cc1cc([N+](=O)[O-])cnc1Nc1ccc(N2CCC2=O)cc1 ZINC000359304294 147304080 /nfs/dbraw/zinc/30/40/80/147304080.db2.gz VRPISJLYNXUYNK-UHFFFAOYSA-N 0 0 309.285 2.342 10 30 DEEERN N#Cc1cccc(-c2c[nH]c(CNC(=O)C3=COCCC3)n2)c1 ZINC000371311911 148087075 /nfs/dbraw/zinc/08/70/75/148087075.db2.gz AQDPNIACWIFIAS-UHFFFAOYSA-N 0 0 308.341 2.259 10 30 DEEERN N#Cc1cc(F)c(N[C@H]2CCN(C3CCOCC3)C2=O)c(F)c1 ZINC000371823627 148144065 /nfs/dbraw/zinc/14/40/65/148144065.db2.gz FRXURSYBJPMXBB-AWEZNQCLSA-N 0 0 321.327 2.028 10 30 DEEERN N#Cc1cnccc1N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000375396674 148367380 /nfs/dbraw/zinc/36/73/80/148367380.db2.gz WWCOPZKEIAGFFN-CYBMUJFWSA-N 0 0 304.357 2.380 10 30 DEEERN Cn1cc(-c2ncc(C(=O)NCc3cccc(C#N)c3)s2)cn1 ZINC000112168199 401731991 /nfs/dbraw/zinc/73/19/91/401731991.db2.gz NXGSCLMAGWFBBT-UHFFFAOYSA-N 0 0 323.381 2.345 10 30 DEEERN CC(C)[C@](C)(C#N)NC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000112196150 401733066 /nfs/dbraw/zinc/73/30/66/401733066.db2.gz AGJXVNTVDAMQOX-AWEZNQCLSA-N 0 0 303.391 2.212 10 30 DEEERN CC(=O)C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(C(C)C)cc1 ZINC000000081903 401687860 /nfs/dbraw/zinc/68/78/60/401687860.db2.gz HIPSZJQZCNLPFR-OAHLLOKOSA-N 0 0 303.358 2.087 10 30 DEEERN Cn1cc(C(=O)c2ccc(Cl)cc2)cc1/C=C/C(=O)NO ZINC000013493180 401800672 /nfs/dbraw/zinc/80/06/72/401800672.db2.gz CMHCBVUOMXLSGS-VOTSOKGWSA-N 0 0 304.733 2.428 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1(C)COC1 ZINC000112753142 401757350 /nfs/dbraw/zinc/75/73/50/401757350.db2.gz VTEMJDMFYMXOTH-UHFFFAOYSA-N 0 0 319.361 2.329 10 30 DEEERN N#Cc1ccc(CNC(=O)[C@H]2CCCN2c2nccs2)cc1 ZINC000075561489 401763063 /nfs/dbraw/zinc/76/30/63/401763063.db2.gz RJYCDMBGXXOBNZ-CQSZACIVSA-N 0 0 312.398 2.300 10 30 DEEERN N#CC1(NC(=O)C(=O)c2cnn(-c3ccccc3)c2)CCCC1 ZINC000113880839 401786227 /nfs/dbraw/zinc/78/62/27/401786227.db2.gz JCSWTUYPQUIUSL-UHFFFAOYSA-N 0 0 308.341 2.008 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116112378 401841936 /nfs/dbraw/zinc/84/19/36/401841936.db2.gz ZBXFYXHVILOHNU-HIFRSBDPSA-N 0 0 324.384 2.075 10 30 DEEERN Cn1ccnc1C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000131307669 401847953 /nfs/dbraw/zinc/84/79/53/401847953.db2.gz VUTPIEIBMRLCAO-AEFFLSMTSA-N 0 0 324.428 2.280 10 30 DEEERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N2CCC(C#N)CC2)C1 ZINC000116558023 401854879 /nfs/dbraw/zinc/85/48/79/401854879.db2.gz YESGGOVVWJKRNP-CABCVRRESA-N 0 0 320.437 2.015 10 30 DEEERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)C3(C#N)CCCC3)C2)n1 ZINC000116777481 401858393 /nfs/dbraw/zinc/85/83/93/401858393.db2.gz SNJHVGFXGSJWEP-OAHLLOKOSA-N 0 0 315.421 2.218 10 30 DEEERN C=CC[C@@H](C)NC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000116861828 401861852 /nfs/dbraw/zinc/86/18/52/401861852.db2.gz FYVYFDVIEANVML-MLGOLLRUSA-N 0 0 304.390 2.343 10 30 DEEERN COC(=O)[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@@H](C)O1 ZINC000135288696 401933764 /nfs/dbraw/zinc/93/37/64/401933764.db2.gz UUFNTIBXIVZKRZ-CJNGLKHVSA-N 0 0 316.401 2.250 10 30 DEEERN CCOCCN1CCN(C(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000117397605 401876088 /nfs/dbraw/zinc/87/60/88/401876088.db2.gz NVUQATIKSPVVIA-AWEZNQCLSA-N 0 0 316.405 2.133 10 30 DEEERN C=CCN(Cc1cccs1)S(=O)(=O)CCCCOC ZINC000133050325 401878669 /nfs/dbraw/zinc/87/86/69/401878669.db2.gz CPQZCCYJHVBYTR-UHFFFAOYSA-N 0 0 303.449 2.493 10 30 DEEERN COc1ccc(OCCCNC(=O)c2cc(C#N)cn2C)cc1 ZINC000081051482 401893704 /nfs/dbraw/zinc/89/37/04/401893704.db2.gz CACSQBQKEBDMHE-UHFFFAOYSA-N 0 0 313.357 2.104 10 30 DEEERN C#CCOc1ccc(C(=O)N[C@@H](C)CCC(=O)OCC)cc1 ZINC000089805930 401965214 /nfs/dbraw/zinc/96/52/14/401965214.db2.gz CAEMRYHVPUYQRC-ZDUSSCGKSA-N 0 0 303.358 2.160 10 30 DEEERN C=CCc1ccc(OS(=O)(=O)[C@@H]2CCO[C@@H]2C)c(OC)c1 ZINC000135497111 401942023 /nfs/dbraw/zinc/94/20/23/401942023.db2.gz BCBUXCOXPIAZEM-IAQYHMDHSA-N 0 0 312.387 2.310 10 30 DEEERN C=CCOc1ccc(CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)cc1 ZINC000093559254 402016439 /nfs/dbraw/zinc/01/64/39/402016439.db2.gz SHBGVKASESZSPL-UONOGXRCSA-N 0 0 309.431 2.259 10 30 DEEERN CC#CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C ZINC000121278760 402025530 /nfs/dbraw/zinc/02/55/30/402025530.db2.gz GLOFYHBSIAVGRC-QGZVFWFLSA-N 0 0 312.413 2.126 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1nnc(-c2ccccc2)s1 ZINC000150930598 402005260 /nfs/dbraw/zinc/00/52/60/402005260.db2.gz CLWXBJBQBGDCRD-UHFFFAOYSA-N 0 0 323.381 2.345 10 30 DEEERN C=CCCOCCNC(=O)N1CCC[C@H](n2ccnc2CC)C1 ZINC000122468384 402079919 /nfs/dbraw/zinc/07/99/19/402079919.db2.gz SDUUNCQDTUKKDP-HNNXBMFYSA-N 0 0 320.437 2.385 10 30 DEEERN CC(C)[C@H](NC(=O)Cn1ccnc1C#N)c1ccc(F)cc1 ZINC000152192878 402080850 /nfs/dbraw/zinc/08/08/50/402080850.db2.gz TZOUEMSBESXRTI-INIZCTEOSA-N 0 0 300.337 2.407 10 30 DEEERN CC(=O)N[C@H](CC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000122198442 402066508 /nfs/dbraw/zinc/06/65/08/402066508.db2.gz CMGOWPOLPHSITG-NVXWUHKLSA-N 0 0 301.390 2.308 10 30 DEEERN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NC2(C#N)CCCC2)C1 ZINC000101642175 402152418 /nfs/dbraw/zinc/15/24/18/402152418.db2.gz PLTPWVORGHOAQC-KGLIPLIRSA-N 0 0 305.422 2.224 10 30 DEEERN C=CCCOCCNC(=O)N[C@@H](CC)c1c(C)nn(C)c1C ZINC000124906106 402203464 /nfs/dbraw/zinc/20/34/64/402203464.db2.gz WEAHJSLMWNYRGK-AWEZNQCLSA-N 0 0 308.426 2.380 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000153635777 402159421 /nfs/dbraw/zinc/15/94/21/402159421.db2.gz BKLYVQYUHRMFBL-GXTWGEPZSA-N 0 0 302.374 2.399 10 30 DEEERN CCOC(=O)CN(CC(=O)Nc1ccc(C#N)cc1)C(C)(C)C ZINC000154720668 402227671 /nfs/dbraw/zinc/22/76/71/402227671.db2.gz ADYYSMJSAVNAFU-UHFFFAOYSA-N 0 0 317.389 2.160 10 30 DEEERN CC(C)(C)n1ncn(CCCOc2cccc(C#N)c2)c1=O ZINC000159605073 402326490 /nfs/dbraw/zinc/32/64/90/402326490.db2.gz BEHUXJJAGBIRIC-UHFFFAOYSA-N 0 0 300.362 2.141 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000184597909 402281857 /nfs/dbraw/zinc/28/18/57/402281857.db2.gz YSIAYMNIXCJMIO-SNVBAGLBSA-N 0 0 311.345 2.350 10 30 DEEERN CCN(CC(F)F)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184636838 402286928 /nfs/dbraw/zinc/28/69/28/402286928.db2.gz CXWMFLUVAIPSBF-UHFFFAOYSA-N 0 0 320.303 2.258 10 30 DEEERN C[C@H](C(=O)OC(C)(C)C)N(C)CC(=O)Nc1sccc1C#N ZINC000176425660 402308120 /nfs/dbraw/zinc/30/81/20/402308120.db2.gz NUEIWYLDJIOKDU-SNVBAGLBSA-N 0 0 323.418 2.220 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)Nc2cccnc2)cn1 ZINC000185897631 402387494 /nfs/dbraw/zinc/38/74/94/402387494.db2.gz OSPXGZQOUPDUHP-UHFFFAOYSA-N 0 0 305.301 2.178 10 30 DEEERN COC(=O)[C@H]1C[C@H](c2ccccc2)CN(c2ccc(C#N)nn2)C1 ZINC000160767874 402359790 /nfs/dbraw/zinc/35/97/90/402359790.db2.gz JCUOJCTYQHDKNT-GJZGRUSLSA-N 0 0 322.368 2.131 10 30 DEEERN C=CCN(CC=C)C(=O)N[C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000185690857 402369576 /nfs/dbraw/zinc/36/95/76/402369576.db2.gz QFTOWINHHUCZNL-LSDHHAIUSA-N 0 0 308.422 2.344 10 30 DEEERN C=C(C)CN(CC)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000161459493 402388346 /nfs/dbraw/zinc/38/83/46/402388346.db2.gz RYKVJPQUWCOCKK-CYBMUJFWSA-N 0 0 305.426 2.324 10 30 DEEERN C=CC[C@H](CO)NC(=O)CSc1nccc2ccccc21 ZINC000185729970 402372770 /nfs/dbraw/zinc/37/27/70/402372770.db2.gz MOWNJGILBGJGRJ-CYBMUJFWSA-N 0 0 302.399 2.380 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc2sc(N(C)C)nc2s1 ZINC000185786279 402376890 /nfs/dbraw/zinc/37/68/90/402376890.db2.gz YNLYYIXFTUPZDK-QMMMGPOBSA-N 0 0 311.432 2.091 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnn(-c2cc(C)ccc2C)c1C ZINC000185807355 402379071 /nfs/dbraw/zinc/37/90/71/402379071.db2.gz ZYJQTZBDYHCKMB-HNNXBMFYSA-N 0 0 313.401 2.464 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 ZINC000185812022 402379378 /nfs/dbraw/zinc/37/93/78/402379378.db2.gz QPIPTMQYWMCZOC-HNNXBMFYSA-N 0 0 318.417 2.129 10 30 DEEERN COC(=O)c1cc(CNC(=O)c2ccc(C#N)cc2C)oc1C ZINC000161263285 402379565 /nfs/dbraw/zinc/37/95/65/402379565.db2.gz VFBWGBKKQCQGKM-UHFFFAOYSA-N 0 0 312.325 2.485 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000185915799 402388864 /nfs/dbraw/zinc/38/88/64/402388864.db2.gz ZGSYWSGMMQIOPI-SECBINFHSA-N 0 0 321.851 2.277 10 30 DEEERN C#CCCCCNC(=O)N[C@H]1C[C@H](OCC)C12CCOCC2 ZINC000185851147 402382587 /nfs/dbraw/zinc/38/25/87/402382587.db2.gz NIIOSBZRTGYLQC-GJZGRUSLSA-N 0 0 308.422 2.063 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(OC)c(-c2ccccn2)c1 ZINC000185920339 402389009 /nfs/dbraw/zinc/38/90/09/402389009.db2.gz AAROALLDRLOXLG-CQSZACIVSA-N 0 0 312.369 2.424 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000185860328 402383631 /nfs/dbraw/zinc/38/36/31/402383631.db2.gz GOVSJKRBWPCZPJ-JTQLQIEISA-N 0 0 305.765 2.397 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000185873699 402384750 /nfs/dbraw/zinc/38/47/50/402384750.db2.gz OGZOUHZALMUTBF-SJORKVTESA-N 0 0 320.408 2.233 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3[C@H](C)CC[C@H]3C)cc2C1=O ZINC000162172275 402412077 /nfs/dbraw/zinc/41/20/77/402412077.db2.gz OPHZVFMHOBNBOM-VXGBXAGGSA-N 0 0 312.369 2.482 10 30 DEEERN Cc1ccc(C(=O)CCCC(=O)N2CCO[C@H](C#N)C2)cc1 ZINC000186288857 402418363 /nfs/dbraw/zinc/41/83/63/402418363.db2.gz WFJRSRZSWGTNCU-OAHLLOKOSA-N 0 0 300.358 2.099 10 30 DEEERN C[C@H](C(=O)N(C)CCC#N)N(C)Cc1nc2c(s1)CCCC2 ZINC000177790671 402436170 /nfs/dbraw/zinc/43/61/70/402436170.db2.gz PKVMRBYPIUMMFZ-GFCCVEGCSA-N 0 0 320.462 2.214 10 30 DEEERN CCOCCN1CCN(c2nc(C)cc(C)c2C#N)C[C@H]1C ZINC000246102753 402510096 /nfs/dbraw/zinc/51/00/96/402510096.db2.gz HNJZPXWOOCIIPI-OAHLLOKOSA-N 0 0 302.422 2.117 10 30 DEEERN C=C(C)COCCNC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187592825 402505272 /nfs/dbraw/zinc/50/52/72/402505272.db2.gz CCMAYEVQOSIOSV-GJZGRUSLSA-N 0 0 324.446 2.058 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CSCN1C(=O)CCC ZINC000170764166 402522282 /nfs/dbraw/zinc/52/22/82/402522282.db2.gz HRSUFGJDWLLYTQ-JTQLQIEISA-N 0 0 324.368 2.265 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCOC1 ZINC000171613798 402601578 /nfs/dbraw/zinc/60/15/78/402601578.db2.gz OXNSAXGSKPVPNS-AWEZNQCLSA-N 0 0 319.361 2.471 10 30 DEEERN CCN(CCC#N)C(=O)CN1CCc2[nH]c3ccccc3c2C1 ZINC000171620677 402602795 /nfs/dbraw/zinc/60/27/95/402602795.db2.gz PZKKGPIEKLHNIO-UHFFFAOYSA-N 0 0 310.401 2.288 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000180947292 402630911 /nfs/dbraw/zinc/63/09/11/402630911.db2.gz PJNIFUMRUDJPFL-OLZOCXBDSA-N 0 0 321.425 2.303 10 30 DEEERN CCc1cc(NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)n[nH]1 ZINC000190931451 402632241 /nfs/dbraw/zinc/63/22/41/402632241.db2.gz RWZKPYGEYZBOHB-UHFFFAOYSA-N 0 0 317.736 2.074 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000181088754 402635013 /nfs/dbraw/zinc/63/50/13/402635013.db2.gz FWJROERTLRVBQO-PMPSAXMXSA-N 0 0 309.454 2.093 10 30 DEEERN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H](C)CO1 ZINC000249710682 402638974 /nfs/dbraw/zinc/63/89/74/402638974.db2.gz VIQYYHWTFAEEQW-UWVGGRQHSA-N 0 0 314.794 2.010 10 30 DEEERN COC(=O)CC(C)(C)CC(=O)NCCOc1ccc(C#N)cc1 ZINC000181482972 402646692 /nfs/dbraw/zinc/64/66/92/402646692.db2.gz HKPGECLVMIWXSL-UHFFFAOYSA-N 0 0 318.373 2.033 10 30 DEEERN N#Cc1cc(C(=O)NC[C@@H]2COC3(CCCCCC3)O2)c[nH]1 ZINC000181464848 402646774 /nfs/dbraw/zinc/64/67/74/402646774.db2.gz MRNVODJYTPYGGX-CQSZACIVSA-N 0 0 303.362 2.082 10 30 DEEERN C#CCOc1ccccc1CNc1nc(-c2nccn2C)no1 ZINC000181528380 402648441 /nfs/dbraw/zinc/64/84/41/402648441.db2.gz XZEUIVNQURFWHM-UHFFFAOYSA-N 0 0 309.329 2.094 10 30 DEEERN C#CCCCNC(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000173590217 402704193 /nfs/dbraw/zinc/70/41/93/402704193.db2.gz HWAGZVQVILPCNH-UHFFFAOYSA-N 0 0 313.401 2.004 10 30 DEEERN C=CC[C@H](CO)Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000182661712 402706596 /nfs/dbraw/zinc/70/65/96/402706596.db2.gz UWXQJAYJEKDYBH-GFCCVEGCSA-N 0 0 307.350 2.082 10 30 DEEERN C[C@H]1SCCN(C(=O)NCCOc2ccc(C#N)cc2)[C@H]1C ZINC000173792738 402712907 /nfs/dbraw/zinc/71/29/07/402712907.db2.gz YBZWSRSEKGBRHS-QWHCGFSZSA-N 0 0 319.430 2.472 10 30 DEEERN Cc1noc2ncc(C(=O)NCCOc3ccc(C#N)cc3)cc12 ZINC000173904402 402717940 /nfs/dbraw/zinc/71/79/40/402717940.db2.gz ZDOWCIHGKZUOAM-UHFFFAOYSA-N 0 0 322.324 2.212 10 30 DEEERN Brc1cc(C=Nn2cnnc2)oc1Br ZINC000254445279 402670952 /nfs/dbraw/zinc/67/09/52/402670952.db2.gz RCIBPBAYIWCVLA-UHFFFAOYSA-N 0 0 319.944 2.278 10 30 DEEERN Cc1cnc(CNC(=O)[C@H](C)Oc2ccccc2C#N)s1 ZINC000172723193 402671606 /nfs/dbraw/zinc/67/16/06/402671606.db2.gz FBALDSGDTZZSKV-NSHDSACASA-N 0 0 301.371 2.407 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000182426728 402689099 /nfs/dbraw/zinc/68/90/99/402689099.db2.gz QQZXPYVTODGRCJ-HNNXBMFYSA-N 0 0 313.332 2.329 10 30 DEEERN CCO[C@@H]1C[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@]12CCCO2 ZINC000369901342 286259545 /nfs/dbraw/zinc/25/95/45/286259545.db2.gz FYVJOSVEVPGPLT-CKEIUWERSA-N 0 0 321.421 2.048 10 30 DEEERN C#CCCCNC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000174083332 402726381 /nfs/dbraw/zinc/72/63/81/402726381.db2.gz PRVIQINVJFNGSL-UHFFFAOYSA-N 0 0 319.449 2.224 10 30 DEEERN N#CC1CCN(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000174407635 402739707 /nfs/dbraw/zinc/73/97/07/402739707.db2.gz WILIFQPZWBRNRO-CABCVRRESA-N 0 0 301.394 2.312 10 30 DEEERN COc1cccc(F)c1[C@H](C)NC(=O)C1(C#N)CCOCC1 ZINC000174461809 402742538 /nfs/dbraw/zinc/74/25/38/402742538.db2.gz OWHYROWZDYFWLM-NSHDSACASA-N 0 0 306.337 2.332 10 30 DEEERN C=CCNC(=O)CNC(=O)N1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000183160246 402743882 /nfs/dbraw/zinc/74/38/82/402743882.db2.gz FKXKUHFGLZPZLA-OAHLLOKOSA-N 0 0 315.417 2.105 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000183617832 402782204 /nfs/dbraw/zinc/78/22/04/402782204.db2.gz HSQHMJWGOMRUOR-RYUDHWBXSA-N 0 0 312.797 2.344 10 30 DEEERN COC(=O)c1coc(C(=O)N(CCC#N)Cc2ccco2)c1 ZINC000183481144 402770826 /nfs/dbraw/zinc/77/08/26/402770826.db2.gz YALCQCVMSATODL-UHFFFAOYSA-N 0 0 302.286 2.215 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000193484078 402771463 /nfs/dbraw/zinc/77/14/63/402771463.db2.gz BJXQYOHCVDCBNH-CYBMUJFWSA-N 0 0 302.374 2.399 10 30 DEEERN N#Cc1cc(C(=O)N2CCSC[C@@H]2c2nccs2)ccn1 ZINC000193858232 402777085 /nfs/dbraw/zinc/77/70/85/402777085.db2.gz ANEGPSLKUZRIRW-GFCCVEGCSA-N 0 0 316.411 2.340 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)Cc2ccsc2)cn1 ZINC000183694943 402789788 /nfs/dbraw/zinc/78/97/88/402789788.db2.gz OZFFQSJACASFMS-UHFFFAOYSA-N 0 0 309.354 2.382 10 30 DEEERN CC#CCN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cnn(C)c1 ZINC000184026649 402812768 /nfs/dbraw/zinc/81/27/68/402812768.db2.gz CRQCHXZRVFMPBP-HNNXBMFYSA-N 0 0 318.421 2.037 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cnc(Br)c(C)c1 ZINC000184249689 402830632 /nfs/dbraw/zinc/83/06/32/402830632.db2.gz PSBAINBIROCUQL-VIFPVBQESA-N 0 0 314.183 2.211 10 30 DEEERN CCOC(=O)CN(C(=O)[C@@H](C)Oc1ccccc1C#N)C(C)C ZINC000194170275 402786859 /nfs/dbraw/zinc/78/68/59/402786859.db2.gz YYAZGEFYHTXODQ-CYBMUJFWSA-N 0 0 318.373 2.126 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000278891748 402882675 /nfs/dbraw/zinc/88/26/75/402882675.db2.gz OUMBYPFMQRYPBI-INIZCTEOSA-N 0 0 320.396 2.098 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000278913430 402885170 /nfs/dbraw/zinc/88/51/70/402885170.db2.gz QYLWMJQWCBSIIN-SUMWQHHRSA-N 0 0 301.361 2.417 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(NC(=O)NCC)ccc1C ZINC000279051759 402898860 /nfs/dbraw/zinc/89/88/60/402898860.db2.gz YONDBFHSESWRMG-CYBMUJFWSA-N 0 0 320.393 2.195 10 30 DEEERN C=CCCCN(C)C(=O)NCc1cccc(OCC(=O)OC)c1 ZINC000265514455 402926024 /nfs/dbraw/zinc/92/60/24/402926024.db2.gz GSSBDVLGNGLZIE-UHFFFAOYSA-N 0 0 320.389 2.346 10 30 DEEERN C=C(C)CS(=O)(=O)NC1CCN(c2ccccc2OC)CC1 ZINC000280556634 403012510 /nfs/dbraw/zinc/01/25/10/403012510.db2.gz JRGFKEJIGNDENP-UHFFFAOYSA-N 0 0 324.446 2.160 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000281213341 403060914 /nfs/dbraw/zinc/06/09/14/403060914.db2.gz CMENKTDCIGJUMC-CVEARBPZSA-N 0 0 317.433 2.340 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)/C(C)=C/c2ccc(F)cc2)C1=O ZINC000281489642 403069969 /nfs/dbraw/zinc/06/99/69/403069969.db2.gz VFWLFAAGKGPXAB-CJTWTEFWSA-N 0 0 316.376 2.474 10 30 DEEERN N#Cc1ccc(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)[nH]1 ZINC000282848318 403161647 /nfs/dbraw/zinc/16/16/47/403161647.db2.gz RTHZQWPJYNTOFU-ZDUSSCGKSA-N 0 0 323.400 2.439 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000283595296 403208633 /nfs/dbraw/zinc/20/86/33/403208633.db2.gz LMTJBSJHSDOQHL-AWEZNQCLSA-N 0 0 319.453 2.294 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000277446821 403218754 /nfs/dbraw/zinc/21/87/54/403218754.db2.gz NYNANBXRSVSOKA-QGZVFWFLSA-N 0 0 324.380 2.405 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCOC[C@@H]2C)cc1 ZINC000277495604 403223586 /nfs/dbraw/zinc/22/35/86/403223586.db2.gz NQWKRXJATJUUGI-WFASDCNBSA-N 0 0 317.389 2.149 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCN(Cc2ccccc2C)CC1 ZINC000277498179 403224025 /nfs/dbraw/zinc/22/40/25/403224025.db2.gz PFSXCONFYWVVPQ-UHFFFAOYSA-N 0 0 308.425 2.302 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000277538409 403228567 /nfs/dbraw/zinc/22/85/67/403228567.db2.gz VFEZIMNTKMMDIC-UHFFFAOYSA-N 0 0 301.342 2.314 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N1CCC(=O)[C@@H](C)C1 ZINC000284931408 403273160 /nfs/dbraw/zinc/27/31/60/403273160.db2.gz UYTLIFXNLKIYKZ-NSHDSACASA-N 0 0 304.321 2.281 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](COC)C1 ZINC000285218083 403279205 /nfs/dbraw/zinc/27/92/05/403279205.db2.gz FDZJZDTZXQJIEN-DLBZAZTESA-N 0 0 300.402 2.299 10 30 DEEERN CN1CCN(Cc2ccccc2C#N)C[C@@H]1c1nc(C2CC2)no1 ZINC000285664570 403352715 /nfs/dbraw/zinc/35/27/15/403352715.db2.gz YQFYRJAETWJYJB-MRXNPFEDSA-N 0 0 323.400 2.307 10 30 DEEERN C#CCCOc1ccc(C(=O)N[C@@H]2CCC[C@H](CO)C2)cc1 ZINC000298183038 403326171 /nfs/dbraw/zinc/32/61/71/403326171.db2.gz DULKACZWRCSRIF-GOEBONIOSA-N 0 0 301.386 2.370 10 30 DEEERN C=CCCOCCCCC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000342874916 403380179 /nfs/dbraw/zinc/38/01/79/403380179.db2.gz UGZJYCOWGJDEHP-ZDUSSCGKSA-N 0 0 309.328 2.275 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)c1c(C)nnn1CC ZINC000298635365 403429238 /nfs/dbraw/zinc/42/92/38/403429238.db2.gz VDLGKVCAFCLWSC-UHFFFAOYSA-N 0 0 314.389 2.443 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CSc1nncs1 ZINC000286431638 403525225 /nfs/dbraw/zinc/52/52/25/403525225.db2.gz BQJRAXOCGOQTLX-ZDUSSCGKSA-N 0 0 317.439 2.381 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCCO1 ZINC000286939628 403549767 /nfs/dbraw/zinc/54/97/67/403549767.db2.gz HIWFBDSYNOAMPM-IRXDYDNUSA-N 0 0 300.402 2.489 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)c2ccc(OC)c(Cl)c2)C1=O ZINC000293736350 403550976 /nfs/dbraw/zinc/55/09/76/403550976.db2.gz WTGVJBCZQRWDMS-ZDUSSCGKSA-N 0 0 322.792 2.208 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1 ZINC000287403498 403592445 /nfs/dbraw/zinc/59/24/45/403592445.db2.gz BVVGAESQKRNLHE-CYBMUJFWSA-N 0 0 312.369 2.261 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1sc([C@H]2CCCOC2)nc1C ZINC000346673489 403598502 /nfs/dbraw/zinc/59/85/02/403598502.db2.gz UPOFCELVYUCICV-RYUDHWBXSA-N 0 0 310.419 2.012 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCn1ccnc1C ZINC000287296480 403570107 /nfs/dbraw/zinc/57/01/07/403570107.db2.gz ZFKCCEVIDAUSRK-QGZVFWFLSA-N 0 0 310.401 2.125 10 30 DEEERN Cc1noc(COc2ccc(Oc3nccnc3C#N)cc2)n1 ZINC000301267934 403607778 /nfs/dbraw/zinc/60/77/78/403607778.db2.gz HBHAHSFBSQETII-UHFFFAOYSA-N 0 0 309.285 2.411 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)C(C)(C)C(=O)OCC ZINC000287581316 403627146 /nfs/dbraw/zinc/62/71/46/403627146.db2.gz XMYLOMJTGUTCLA-OAHLLOKOSA-N 0 0 301.386 2.327 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 ZINC000288003410 403707298 /nfs/dbraw/zinc/70/72/98/403707298.db2.gz BKZYOTQUPWUSEE-MEDUHNTESA-N 0 0 322.792 2.276 10 30 DEEERN COC[C@H]1C[C@@H](OC)CN1c1nc(C(F)(F)F)ccc1C#N ZINC000343735935 403712449 /nfs/dbraw/zinc/71/24/49/403712449.db2.gz GVFZHCIBFOXTJH-GHMZBOCLSA-N 0 0 315.295 2.212 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@](C)(O)C1 ZINC000288077763 403720579 /nfs/dbraw/zinc/72/05/79/403720579.db2.gz GWTGSGMVVGUICX-SJLPKXTDSA-N 0 0 300.402 2.177 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC000288081859 403721194 /nfs/dbraw/zinc/72/11/94/403721194.db2.gz HFCKPWRJVBNGGU-BZUAXINKSA-N 0 0 300.402 2.080 10 30 DEEERN COC(=O)[C@@H]1CCCN(c2ncc(Br)cc2C#N)C1 ZINC000294776367 403734075 /nfs/dbraw/zinc/73/40/75/403734075.db2.gz ADUHZBHDFHFHAP-SECBINFHSA-N 0 0 324.178 2.105 10 30 DEEERN C=C(CNC(=O)[C@@H]1CSCN1C(=O)CC)c1ccccc1 ZINC000288416936 403749980 /nfs/dbraw/zinc/74/99/80/403749980.db2.gz ZPYGTXJGEKWJKA-AWEZNQCLSA-N 0 0 304.415 2.128 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000288420551 403751302 /nfs/dbraw/zinc/75/13/02/403751302.db2.gz LWUVHNSAOODWMX-OAHLLOKOSA-N 0 0 314.360 2.253 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000288442686 403755067 /nfs/dbraw/zinc/75/50/67/403755067.db2.gz YPHYFUZAUUAOJA-CVEARBPZSA-N 0 0 316.401 2.057 10 30 DEEERN C=CCN1CC[C@@H](N2CCC(F)(c3ccccn3)CC2)C1=O ZINC000295350486 403875388 /nfs/dbraw/zinc/87/53/88/403875388.db2.gz NUOMUQDATDTNRI-CQSZACIVSA-N 0 0 303.381 2.129 10 30 DEEERN C=CCN(CCOC)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000361997779 403915817 /nfs/dbraw/zinc/91/58/17/403915817.db2.gz XIXLSTXUBDNLMY-QGZVFWFLSA-N 0 0 302.418 2.315 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@](C)(C(=O)OC)c1ccc(F)cc1 ZINC000362232332 403938149 /nfs/dbraw/zinc/93/81/49/403938149.db2.gz HKGIIBQMNKAECL-PXAZEXFGSA-N 0 0 323.364 2.311 10 30 DEEERN CC1(C)OCC[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000336891807 403949770 /nfs/dbraw/zinc/94/97/70/403949770.db2.gz JABZQDIWEMCURD-LBPRGKRZSA-N 0 0 314.794 2.057 10 30 DEEERN C=CCSc1ccccc1C(=O)NCCCn1ccnn1 ZINC000362399395 403951054 /nfs/dbraw/zinc/95/10/54/403951054.db2.gz CVSYJGOHSACKSC-UHFFFAOYSA-N 0 0 302.403 2.376 10 30 DEEERN C#CCCNC(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000362429888 403953057 /nfs/dbraw/zinc/95/30/57/403953057.db2.gz AYAXTWMTGBIPJV-CQSZACIVSA-N 0 0 324.327 2.394 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@H](C)[C@@H]1CC ZINC000289519628 403983184 /nfs/dbraw/zinc/98/31/84/403983184.db2.gz CESSUGVMEMGJAA-IHRRRGAJSA-N 0 0 306.410 2.177 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(OC)c(OC)c1 ZINC000362807825 403990879 /nfs/dbraw/zinc/99/08/79/403990879.db2.gz ILSGYSHDQCHGED-BBRMVZONSA-N 0 0 305.374 2.301 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@@H](C)CC1 ZINC000289689747 403993070 /nfs/dbraw/zinc/99/30/70/403993070.db2.gz NTJKJFRRINEOOM-ZIAGYGMSSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCn1c(N2CCc3cc[nH]c(=O)c3C2)nnc1C(C)(C)C ZINC000289854678 404004068 /nfs/dbraw/zinc/00/40/68/404004068.db2.gz YEOGKBULGBLYTE-UHFFFAOYSA-N 0 0 313.405 2.425 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)c3occc3C)C2)n1 ZINC000328608724 404113604 /nfs/dbraw/zinc/11/36/04/404113604.db2.gz BDAQOTDFVXFHRX-GFCCVEGCSA-N 0 0 302.334 2.480 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)c3occc3C)C2)n1 ZINC000328608726 404114039 /nfs/dbraw/zinc/11/40/39/404114039.db2.gz BDAQOTDFVXFHRX-LBPRGKRZSA-N 0 0 302.334 2.480 10 30 DEEERN Cc1cccc(CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)n1 ZINC000328615309 404115348 /nfs/dbraw/zinc/11/53/48/404115348.db2.gz ATFVTASJWZVICK-UKRRQHHQSA-N 0 0 300.362 2.358 10 30 DEEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)Nc2cnc(C3CC3)nc2)cn1 ZINC000328639734 404121289 /nfs/dbraw/zinc/12/12/89/404121289.db2.gz XBDICPFRLAGITA-UONOGXRCSA-N 0 0 313.361 2.453 10 30 DEEERN C=CCSCCNC(=O)N[C@@H](CO)c1sccc1C ZINC000352078123 404128906 /nfs/dbraw/zinc/12/89/06/404128906.db2.gz VGFXCMIYWLMUSU-NSHDSACASA-N 0 0 300.449 2.308 10 30 DEEERN C[C@H]1CN(C(=O)NCc2ccc(C3CC3)cc2)CC(=O)N1C ZINC000328671189 404129042 /nfs/dbraw/zinc/12/90/42/404129042.db2.gz NHWYWEAUCKEFBC-LBPRGKRZSA-N 0 0 301.390 2.141 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@H]2C[C@@]23CCc2ccccc23)CCN1C1CC1 ZINC000369762795 404220158 /nfs/dbraw/zinc/22/01/58/404220158.db2.gz JUCFVPOBUYOUKY-YVWKXTFCSA-N 0 0 321.424 2.089 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)C[C@@H]1CCC[C@H]1O)CCC2 ZINC000328827502 404158357 /nfs/dbraw/zinc/15/83/57/404158357.db2.gz JMZBHKQLKLAKFR-SOUVJXGZSA-N 0 0 320.437 2.076 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCCC[C@@H](C)C1 ZINC000290462459 404178901 /nfs/dbraw/zinc/17/89/01/404178901.db2.gz SSKLCGSVOVDFEC-ZIAGYGMSSA-N 0 0 306.410 2.178 10 30 DEEERN N#Cc1ccnc(C(=O)N2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000290509286 404199336 /nfs/dbraw/zinc/19/93/36/404199336.db2.gz JLQRBGWTVNIZIO-MRXNPFEDSA-N 0 0 318.380 2.230 10 30 DEEERN O=C(N[C@H]1COC[C@H]1n1ccnn1)[C@@H]1CCCC(F)(F)C1 ZINC000329138236 404241434 /nfs/dbraw/zinc/24/14/34/404241434.db2.gz RVMRBGKBNVAAAA-OUAUKWLOSA-N 0 0 300.309 2.000 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccnc(OCC(F)(F)F)c1 ZINC000350160283 404336360 /nfs/dbraw/zinc/33/63/60/404336360.db2.gz VDBPWGFWMYMXFI-JTQLQIEISA-N 0 0 319.283 2.081 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCOC[C@@H]1C ZINC000355455393 404337051 /nfs/dbraw/zinc/33/70/51/404337051.db2.gz YOEURADTKIGLKO-BBRMVZONSA-N 0 0 322.405 2.285 10 30 DEEERN C=CCN1CC[C@@H](N(C)Cc2ccc3c(c2)OC(F)(F)O3)C1=O ZINC000352403743 404345522 /nfs/dbraw/zinc/34/55/22/404345522.db2.gz XHSSIIMLRYBPSH-GFCCVEGCSA-N 0 0 324.327 2.227 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000355564891 404352321 /nfs/dbraw/zinc/35/23/21/404352321.db2.gz OQWDYXWHIKTPFP-RDJZCZTQSA-N 0 0 307.365 2.361 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@H]1CCN(c2ccccc2Cl)C1 ZINC000290914146 404355611 /nfs/dbraw/zinc/35/56/11/404355611.db2.gz PQSDOZLVRRERAZ-STQMWFEESA-N 0 0 308.809 2.220 10 30 DEEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000329536735 404367795 /nfs/dbraw/zinc/36/77/95/404367795.db2.gz LXUIJICUPVERPV-QLFBSQMISA-N 0 0 304.394 2.418 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000342109585 404374308 /nfs/dbraw/zinc/37/43/08/404374308.db2.gz GVOWBGMOIUPJGV-AWEZNQCLSA-N 0 0 300.402 2.290 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000356088946 404388995 /nfs/dbraw/zinc/38/89/95/404388995.db2.gz WEERIHZVVMTSBH-HUUCEWRRSA-N 0 0 307.438 2.385 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000372675123 404506770 /nfs/dbraw/zinc/50/67/70/404506770.db2.gz NTCKJLNIGQUNSV-SUMWQHHRSA-N 0 0 320.437 2.411 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N(CC)CC1CCC1 ZINC000351121202 404518430 /nfs/dbraw/zinc/51/84/30/404518430.db2.gz YQTICWDLFLYDOM-AWEZNQCLSA-N 0 0 306.410 2.178 10 30 DEEERN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)C12CCCC2 ZINC000330005046 404523478 /nfs/dbraw/zinc/52/34/78/404523478.db2.gz BOIIHCMFKXGBML-XPABHHOTSA-N 0 0 308.422 2.215 10 30 DEEERN C[C@@H]1CC(CNC(=O)NC[C@@H]2CCc3nccn3C2)C[C@@H](C)O1 ZINC000329817497 404459991 /nfs/dbraw/zinc/45/99/91/404459991.db2.gz WRSMSZVINAUBCJ-MCIONIFRSA-N 0 0 320.437 2.153 10 30 DEEERN C#Cc1ccc(CNC(=O)N(C)C[C@@H]2CCCC[C@H]2O)cc1 ZINC000297712645 404598855 /nfs/dbraw/zinc/59/88/55/404598855.db2.gz RYVJWQVOLSYPLD-DLBZAZTESA-N 0 0 300.402 2.360 10 30 DEEERN C=CCCCN(C)C(=O)NCc1cc(C)nc(N2CCCC2)n1 ZINC000292012296 404626435 /nfs/dbraw/zinc/62/64/35/404626435.db2.gz BRYDZJGGFGVMTI-UHFFFAOYSA-N 0 0 317.437 2.493 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cn(C)nc1C1CC1 ZINC000292010936 404626884 /nfs/dbraw/zinc/62/68/84/404626884.db2.gz IQDIBTMMNLPDPB-DOMZBBRYSA-N 0 0 304.394 2.400 10 30 DEEERN C=C(CNC(=O)C(=O)Nc1ccnn1CCC)c1ccccc1 ZINC000357666450 404740064 /nfs/dbraw/zinc/74/00/64/404740064.db2.gz BDVCVZVPIKQDDZ-UHFFFAOYSA-N 0 0 312.373 2.061 10 30 DEEERN C=C(CNC(=O)N1CCSC[C@H]1CCO)c1ccccc1 ZINC000358593591 404767849 /nfs/dbraw/zinc/76/78/49/404767849.db2.gz RQXVLLGBEFDHMA-OAHLLOKOSA-N 0 0 306.431 2.209 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000352987997 404712548 /nfs/dbraw/zinc/71/25/48/404712548.db2.gz KEEPINLCBMONHE-GUYCJALGSA-N 0 0 311.422 2.405 10 30 DEEERN CCCC(=O)N1CCCC[C@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000356965804 404722804 /nfs/dbraw/zinc/72/28/04/404722804.db2.gz BPMCNWGBBPIAPL-AWEZNQCLSA-N 0 0 305.422 2.320 10 30 DEEERN C[C@H](CC(=O)N1CCC(C)(C#N)CC1)NC(=O)c1ccccc1 ZINC000356990115 404723514 /nfs/dbraw/zinc/72/35/14/404723514.db2.gz SNGVWSAOBUMYNA-CQSZACIVSA-N 0 0 313.401 2.347 10 30 DEEERN C=CCOc1ccc(CNC(=O)c2nc(C)c(C)[nH]c2=O)cc1 ZINC000359104884 404784395 /nfs/dbraw/zinc/78/43/95/404784395.db2.gz JXGISEKJALHQOU-UHFFFAOYSA-N 0 0 313.357 2.294 10 30 DEEERN Cc1cccnc1N(C)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000359943927 404810200 /nfs/dbraw/zinc/81/02/00/404810200.db2.gz SBINVBNZCDCUCO-UHFFFAOYSA-N 0 0 305.334 2.226 10 30 DEEERN C=CCCS(=O)(=O)N(CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000360180110 404821408 /nfs/dbraw/zinc/82/14/08/404821408.db2.gz GFZHWEOUIQXXGJ-UHFFFAOYSA-N 0 0 310.375 2.489 10 30 DEEERN C#CCSCCNC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000366836716 404855539 /nfs/dbraw/zinc/85/55/39/404855539.db2.gz QPKBPOHSGAVPQZ-AWEZNQCLSA-N 0 0 306.435 2.023 10 30 DEEERN C=CCOc1cccc(NC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)c1 ZINC000361170934 404957271 /nfs/dbraw/zinc/95/72/71/404957271.db2.gz VNABLWOXGFOJBU-AGUYFDCRSA-N 0 0 315.369 2.432 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000361128862 404933608 /nfs/dbraw/zinc/93/36/08/404933608.db2.gz CZQDSHGXGLWBAI-UONOGXRCSA-N 0 0 310.438 2.121 10 30 DEEERN N#Cc1cc(F)ccc1CN1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408045128 405097266 /nfs/dbraw/zinc/09/72/66/405097266.db2.gz QBWANMHREFMMTM-KURKYZTESA-N 0 0 318.392 2.449 10 30 DEEERN CO[C@H]1C[C@@H](C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)N(C)C1 ZINC000408057294 405100259 /nfs/dbraw/zinc/10/02/59/405100259.db2.gz SEPKJPSOPQVFLR-DIODGJHASA-N 0 0 321.465 2.320 10 30 DEEERN Cc1ccnc(N2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)c1C#N ZINC000407980766 405082809 /nfs/dbraw/zinc/08/28/09/405082809.db2.gz NYEHHSLYCAECOX-BFYDXBDKSA-N 0 0 301.390 2.018 10 30 DEEERN N#CC1(C(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)CCCC1 ZINC000367563983 405085456 /nfs/dbraw/zinc/08/54/56/405085456.db2.gz GLCXICBNEIYAJE-GFCCVEGCSA-N 0 0 300.362 2.347 10 30 DEEERN Cc1cc(C#N)nc(N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)n1 ZINC000367640590 405110217 /nfs/dbraw/zinc/11/02/17/405110217.db2.gz APHTVIVZAAWHSB-ZDUSSCGKSA-N 0 0 319.372 2.435 10 30 DEEERN C=CCC1(C(=O)NC[C@H]2COc3ccccc3O2)CCOCC1 ZINC000424528350 405110978 /nfs/dbraw/zinc/11/09/78/405110978.db2.gz DZDCDUPDEJETGM-AWEZNQCLSA-N 0 0 317.385 2.316 10 30 DEEERN CC#CCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000361529812 405117152 /nfs/dbraw/zinc/11/71/52/405117152.db2.gz GVFWKXPVDRWXEF-HOTGVXAUSA-N 0 0 321.371 2.423 10 30 DEEERN C=CCN(CC=C)S(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000416363677 405121297 /nfs/dbraw/zinc/12/12/97/405121297.db2.gz QVCLQUYZDUDGAF-UHFFFAOYSA-N 0 0 305.350 2.029 10 30 DEEERN C=CCC1(C(=O)N2CCC(c3ncc[nH]3)CC2)CCOCC1 ZINC000424634409 405134453 /nfs/dbraw/zinc/13/44/53/405134453.db2.gz YENOBBJTBFMOKY-UHFFFAOYSA-N 0 0 303.406 2.489 10 30 DEEERN C=CCC1(C(=O)Nc2ccc3c(c2)CC(=O)N3)CCOCC1 ZINC000424669842 405145065 /nfs/dbraw/zinc/14/50/65/405145065.db2.gz TWUQQWPXCRXPRC-UHFFFAOYSA-N 0 0 300.358 2.493 10 30 DEEERN C=CCCn1cc(C(=O)NCCc2cc(F)c(F)c(F)c2)nn1 ZINC000424793206 405180903 /nfs/dbraw/zinc/18/09/03/405180903.db2.gz RXKAMCFEQPIIEG-UHFFFAOYSA-N 0 0 324.306 2.244 10 30 DEEERN CC#CCCNC(=O)N1CCc2cc(OC)c(OC)cc2CC1 ZINC000361648618 405181384 /nfs/dbraw/zinc/18/13/84/405181384.db2.gz SVSHYVDHZAUVAF-UHFFFAOYSA-N 0 0 316.401 2.227 10 30 DEEERN C=CCC1(C(=O)N(CCO)Cc2ccc(C)o2)CCOCC1 ZINC000424809114 405184408 /nfs/dbraw/zinc/18/44/08/405184408.db2.gz HXIUUMRKPVPJSL-UHFFFAOYSA-N 0 0 307.390 2.282 10 30 DEEERN C=CCC1(C(=O)N2C[C@H](CC)O[C@]3(CCOC3)C2)CCOCC1 ZINC000424809667 405184612 /nfs/dbraw/zinc/18/46/12/405184612.db2.gz IRFJXPCAAOXBEY-MAUKXSAKSA-N 0 0 323.433 2.156 10 30 DEEERN C=CCC1(C(=O)N[C@H](CO)c2ccc(F)cc2)CCOCC1 ZINC000424858820 405198109 /nfs/dbraw/zinc/19/81/09/405198109.db2.gz ZDMVFUKKNZVDBK-OAHLLOKOSA-N 0 0 307.365 2.348 10 30 DEEERN CCC(C)(C)NC(=O)CN1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000408453334 405210059 /nfs/dbraw/zinc/21/00/59/405210059.db2.gz TWTRLJHVFLGTOT-PBHICJAKSA-N 0 0 307.438 2.218 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1nc(C2CCCC2)no1 ZINC000424929586 405214358 /nfs/dbraw/zinc/21/43/58/405214358.db2.gz BUYRMOPBWJLSRT-KBPBESRZSA-N 0 0 319.405 2.367 10 30 DEEERN CC(=O)N[C@@H](C)C1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000408306257 405168763 /nfs/dbraw/zinc/16/87/63/405168763.db2.gz CCXXYKXHIKYKEN-LBPRGKRZSA-N 0 0 312.417 2.183 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000425429284 405289804 /nfs/dbraw/zinc/28/98/04/405289804.db2.gz YPAKGFZGAUCWED-VGWMRTNUSA-N 0 0 310.438 2.472 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000425286782 405268821 /nfs/dbraw/zinc/26/88/21/405268821.db2.gz UZGGJDTWTURJFE-NHYWBVRUSA-N 0 0 317.345 2.483 10 30 DEEERN C=CCC1(C(=O)NCCCO[C@@H]2CCCCO2)CCOCC1 ZINC000425296350 405269884 /nfs/dbraw/zinc/26/98/84/405269884.db2.gz GSMVOZRAMUKLGS-OAHLLOKOSA-N 0 0 311.422 2.409 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000438149139 405234678 /nfs/dbraw/zinc/23/46/78/405234678.db2.gz GIIZPZWROIMHTP-RDTXWAMCSA-N 0 0 316.401 2.457 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3C[C@H]3CC)cc2C1=O ZINC000452772142 405240830 /nfs/dbraw/zinc/24/08/30/405240830.db2.gz PQOVBHGTECUOAC-YPMHNXCESA-N 0 0 312.369 2.245 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(F)ccc1Cl ZINC000425176707 405253823 /nfs/dbraw/zinc/25/38/23/405253823.db2.gz BCULNHGTPOZZLC-CABZTGNLSA-N 0 0 319.785 2.349 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCC1CCCCC1 ZINC000425875878 405326227 /nfs/dbraw/zinc/32/62/27/405326227.db2.gz UMZMMJCGBDIMGO-HOTGVXAUSA-N 0 0 322.449 2.170 10 30 DEEERN C=CCOc1ccccc1CNC(=O)NCC1=CCOCC1 ZINC000454478601 405351336 /nfs/dbraw/zinc/35/13/36/405351336.db2.gz FHXLNAKOFSZHBO-UHFFFAOYSA-N 0 0 302.374 2.397 10 30 DEEERN C=CC[C@@H](C)NC(=O)NCCc1cnc2c(Cl)cnn2c1 ZINC000454517254 405356489 /nfs/dbraw/zinc/35/64/89/405356489.db2.gz FLYJPFMRASPLHQ-SNVBAGLBSA-N 0 0 307.785 2.189 10 30 DEEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc(N(C)C)c1C ZINC000440256462 405307756 /nfs/dbraw/zinc/30/77/56/405307756.db2.gz CPIXYTSTASZHJB-ZDUSSCGKSA-N 0 0 303.406 2.470 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N1C[C@@H](O)CC[C@H]1C ZINC000421316121 405462802 /nfs/dbraw/zinc/46/28/02/405462802.db2.gz WPTXDCCYDQQSRK-HIFRSBDPSA-N 0 0 316.401 2.116 10 30 DEEERN C=CCC1(NC(=O)NCc2cc(C(N)=O)co2)CCCCC1 ZINC000458682546 405540057 /nfs/dbraw/zinc/54/00/57/405540057.db2.gz ZVONJGMMWXJCIH-UHFFFAOYSA-N 0 0 305.378 2.457 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1c(F)cncc1Br ZINC000633316092 405568474 /nfs/dbraw/zinc/56/84/74/405568474.db2.gz XPBOGDZMEHIWTB-ZJUUUORDSA-N 0 0 315.142 2.057 10 30 DEEERN C=CCOc1ccc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1OC ZINC000449477623 405577674 /nfs/dbraw/zinc/57/76/74/405577674.db2.gz WWTDIBZBQNMZTH-INIZCTEOSA-N 0 0 313.344 2.462 10 30 DEEERN C=C(CC)CNC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000456814455 405578286 /nfs/dbraw/zinc/57/82/86/405578286.db2.gz UIEPAVFGOYGIKT-CYBMUJFWSA-N 0 0 324.446 2.123 10 30 DEEERN C=C(CC)CNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000456830694 405583521 /nfs/dbraw/zinc/58/35/21/405583521.db2.gz RQIXCURSXAMGTJ-AWEZNQCLSA-N 0 0 306.431 2.364 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCc1nc(C(N)=O)cs1 ZINC000633355519 405591165 /nfs/dbraw/zinc/59/11/65/405591165.db2.gz ULMBVWPRFVURHL-UHFFFAOYSA-N 0 0 310.423 2.034 10 30 DEEERN CCC[C@@H]1CCCC[C@H]1CNC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000456857235 405592931 /nfs/dbraw/zinc/59/29/31/405592931.db2.gz JXNJYCCTARLRTK-MJBXVCDLSA-N 0 0 303.410 2.433 10 30 DEEERN C[C@H](C(=O)N[C@](C)(Cc1ccccc1)C1CC1)n1cnc(C#N)n1 ZINC000457011232 405655176 /nfs/dbraw/zinc/65/51/76/405655176.db2.gz HFQCUUNLEFIVQF-FZKQIMNGSA-N 0 0 323.400 2.238 10 30 DEEERN C=C[C@](C)(O)CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558578351 405672703 /nfs/dbraw/zinc/67/27/03/405672703.db2.gz GJAGTHIDRRIJDH-INIZCTEOSA-N 0 0 317.345 2.062 10 30 DEEERN C=C(C)Cn1c(N2CCO[C@H](CF)C2)nnc1[C@]1(C)CCCO1 ZINC000582168884 405682727 /nfs/dbraw/zinc/68/27/27/405682727.db2.gz DZDTZNCZYODQJE-CJNGLKHVSA-N 0 0 324.400 2.055 10 30 DEEERN C=CCn1c(CC)nnc1N1CCC(Cn2cc(C)cn2)CC1 ZINC000558661660 405683029 /nfs/dbraw/zinc/68/30/29/405683029.db2.gz HGMHRPQOHYFMFX-UHFFFAOYSA-N 0 0 314.437 2.448 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1CCc2cc(N)ccc21 ZINC000582371648 405716102 /nfs/dbraw/zinc/71/61/02/405716102.db2.gz GZNXXQZMGXPUQU-LRDDRELGSA-N 0 0 315.417 2.233 10 30 DEEERN C=CCCn1cc(C(=O)N2CCO[C@H](c3ccsc3)C2)nn1 ZINC000583495747 405745370 /nfs/dbraw/zinc/74/53/70/405745370.db2.gz TWHYICUPWSVKOH-AWEZNQCLSA-N 0 0 318.402 2.129 10 30 DEEERN C=CCN(C(=O)Cc1cn2cc(C)sc2n1)[C@H](C)COC ZINC000633613288 405745529 /nfs/dbraw/zinc/74/55/29/405745529.db2.gz WSWXCCGMYAASDQ-LLVKDONJSA-N 0 0 307.419 2.296 10 30 DEEERN C=C[C@H](O)C(=O)NCCCCc1nc(-c2ccccn2)cs1 ZINC000636153884 405778980 /nfs/dbraw/zinc/77/89/80/405778980.db2.gz BHSDAVSCLOJBHH-AWEZNQCLSA-N 0 0 317.414 2.191 10 30 DEEERN C=C[C@](C)(O)C(=O)NCCCc1nc(-c2ccccn2)cs1 ZINC000636153674 405779003 /nfs/dbraw/zinc/77/90/03/405779003.db2.gz IPZYXZNAUOXZHE-INIZCTEOSA-N 0 0 317.414 2.191 10 30 DEEERN C=CCC1(C(=O)N2CCC=C(c3cnn(C)c3)C2)CCOCC1 ZINC000636169274 405790070 /nfs/dbraw/zinc/79/00/70/405790070.db2.gz HRHIDIDOLDRQFS-UHFFFAOYSA-N 0 0 315.417 2.409 10 30 DEEERN C=CCOc1ccc(CN2CC[C@H](C)S(=O)(=O)CC2)cc1 ZINC000432785820 405809139 /nfs/dbraw/zinc/80/91/39/405809139.db2.gz ANPZTNDKUXPXTL-AWEZNQCLSA-N 0 0 309.431 2.260 10 30 DEEERN C=CCOc1ccccc1CN1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000529675374 405764420 /nfs/dbraw/zinc/76/44/20/405764420.db2.gz UQIBNVKTUVFVOW-CVEARBPZSA-N 0 0 321.442 2.403 10 30 DEEERN COc1cc(OC)c(OC)cc1NC(=O)c1ccc(C#N)n1C ZINC000450193450 405774313 /nfs/dbraw/zinc/77/43/13/405774313.db2.gz CXNFBMZGPFLPGU-UHFFFAOYSA-N 0 0 315.329 2.175 10 30 DEEERN COC[C@H](Cc1ccccc1)NC(=O)Cc1cccc(C#N)c1 ZINC000530676802 405844330 /nfs/dbraw/zinc/84/43/30/405844330.db2.gz IQWCHUYDDJTBKM-SFHVURJKSA-N 0 0 308.381 2.475 10 30 DEEERN C=C(C)Cn1c(N2CC[C@@H](COC)C2)nnc1[C@@]1(C)CCCO1 ZINC000584214272 405849487 /nfs/dbraw/zinc/84/94/87/405849487.db2.gz PULGFUYBEXLWHZ-RHSMWYFYSA-N 0 0 320.437 2.353 10 30 DEEERN C=CCCC(C)(C)CNC(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000633964627 405933683 /nfs/dbraw/zinc/93/36/83/405933683.db2.gz PZESGLMDIGSOQM-AWEZNQCLSA-N 0 0 320.437 2.011 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000633966484 405933698 /nfs/dbraw/zinc/93/36/98/405933698.db2.gz MSFIWJIGVSQEIL-ZDUSSCGKSA-N 0 0 301.452 2.310 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1cc(C)ccc1S(N)(=O)=O ZINC000633965180 405933743 /nfs/dbraw/zinc/93/37/43/405933743.db2.gz KPFKETBBOGKJLB-UHFFFAOYSA-N 0 0 324.446 2.365 10 30 DEEERN COC(=O)[C@@H](NC(=O)c1sccc1C#N)C1CCCCC1 ZINC000531276883 405936186 /nfs/dbraw/zinc/93/61/86/405936186.db2.gz BBRCWQQJAVKYOO-LBPRGKRZSA-N 0 0 306.387 2.471 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@@]2(C)OCCc3sccc32)C1=O ZINC000630980470 405949964 /nfs/dbraw/zinc/94/99/64/405949964.db2.gz AKBREKODSITBNX-MLGOLLRUSA-N 0 0 320.414 2.423 10 30 DEEERN C[C@H](NC(=O)Cc1cccc(C#N)c1)c1ccc(NC(N)=O)cc1 ZINC000531385867 405953107 /nfs/dbraw/zinc/95/31/07/405953107.db2.gz MPJAWLSAWSNMCQ-LBPRGKRZSA-N 0 0 322.368 2.469 10 30 DEEERN Cn1c2ccc(C(=O)NCC3CCC(C#N)CC3)cc2[nH]c1=O ZINC000562465070 406015164 /nfs/dbraw/zinc/01/51/64/406015164.db2.gz DMJWBYFZCROTQO-UHFFFAOYSA-N 0 0 312.373 2.339 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1ccccc1OCC ZINC000636505659 405992454 /nfs/dbraw/zinc/99/24/54/405992454.db2.gz SCXPFLZOPMFQEM-UHFFFAOYSA-N 0 0 318.417 2.420 10 30 DEEERN C=CCCS(=O)(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000531685873 405994789 /nfs/dbraw/zinc/99/47/89/405994789.db2.gz ODPQQOWTRQMNKY-ZDUSSCGKSA-N 0 0 317.451 2.336 10 30 DEEERN C=CCNC(=O)c1ccc(N2CCC[C@H](COC)CC2)nc1 ZINC000450950063 405997521 /nfs/dbraw/zinc/99/75/21/405997521.db2.gz URAGPXHAAPURGS-AWEZNQCLSA-N 0 0 303.406 2.250 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000636817481 406090522 /nfs/dbraw/zinc/09/05/22/406090522.db2.gz UZZVRCIMMBWERN-KBPBESRZSA-N 0 0 324.465 2.415 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C)c1ncc(C)s1 ZINC000636829458 406093405 /nfs/dbraw/zinc/09/34/05/406093405.db2.gz KFZSAJMNWWHFJG-LLVKDONJSA-N 0 0 309.435 2.347 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000459819859 406057523 /nfs/dbraw/zinc/05/75/23/406057523.db2.gz GPGUCPSRMIBESB-LLDVTBCESA-N 0 0 302.418 2.082 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CO)[C@@H]1C ZINC000563371431 406059917 /nfs/dbraw/zinc/05/99/17/406059917.db2.gz GZEZSTVNLAVKQW-SOUVJXGZSA-N 0 0 320.437 2.303 10 30 DEEERN C=CC[C@H]1CCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000639349510 406060390 /nfs/dbraw/zinc/06/03/90/406060390.db2.gz ZAZSJLJETOYFDU-NSHDSACASA-N 0 0 314.838 2.385 10 30 DEEERN C=CCN(Cc1ccccc1)S(=O)(=O)C[C@@H](OC)C1CC1 ZINC000564903946 406068452 /nfs/dbraw/zinc/06/84/52/406068452.db2.gz FIRPILPLVGRUPT-MRXNPFEDSA-N 0 0 309.431 2.429 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCCCc1ccccn1 ZINC000636745573 406070038 /nfs/dbraw/zinc/07/00/38/406070038.db2.gz QWKZLOZJHIEJES-UHFFFAOYSA-N 0 0 317.433 2.239 10 30 DEEERN C=C(C)COc1cc(CN2CCn3nncc3C2)ccc1OC ZINC000565229352 406071044 /nfs/dbraw/zinc/07/10/44/406071044.db2.gz MDCXAGCBZXYIAI-UHFFFAOYSA-N 0 0 314.389 2.257 10 30 DEEERN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2CC)cc1 ZINC000460001965 406072936 /nfs/dbraw/zinc/07/29/36/406072936.db2.gz OIECFCXPJLQWND-IUODEOHRSA-N 0 0 322.430 2.478 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000634354639 406111919 /nfs/dbraw/zinc/11/19/19/406111919.db2.gz GXDCALKJEFZUHF-NEPJUHHUSA-N 0 0 306.328 2.258 10 30 DEEERN C=CCCCNC(=O)NCc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000567837835 406146479 /nfs/dbraw/zinc/14/64/79/406146479.db2.gz PWNXAVKAPCRNGI-UHFFFAOYSA-N 0 0 303.341 2.376 10 30 DEEERN C=CCOCCCNC(=O)C(=O)NCC[C@H]1CCCC1(C)C ZINC000637011811 406149947 /nfs/dbraw/zinc/14/99/47/406149947.db2.gz CMQYJLYEHKOLOA-CQSZACIVSA-N 0 0 310.438 2.028 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1CCc2ccc(O)cc21 ZINC000637018117 406151600 /nfs/dbraw/zinc/15/16/00/406151600.db2.gz MLUUWFNBNDFYLF-HNNXBMFYSA-N 0 0 316.401 2.214 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)CCC1CCOCC1 ZINC000632553468 406179206 /nfs/dbraw/zinc/17/92/06/406179206.db2.gz QFSVQEGPQOGXMS-UHFFFAOYSA-N 0 0 324.465 2.370 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C1(C(=O)OC(C)(C)C)CC1 ZINC000568048185 406184726 /nfs/dbraw/zinc/18/47/26/406184726.db2.gz FKQNHDQVLNBJES-OLZOCXBDSA-N 0 0 309.406 2.206 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCSC[C@H](C)C1 ZINC000632609732 406198662 /nfs/dbraw/zinc/19/86/62/406198662.db2.gz QLJXNNRZWOIILS-CYBMUJFWSA-N 0 0 312.479 2.307 10 30 DEEERN C=CCC1(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)CCC1 ZINC000519580184 406214434 /nfs/dbraw/zinc/21/44/34/406214434.db2.gz CAZANOUHVAXRNH-ZDUSSCGKSA-N 0 0 319.426 2.420 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N(C)C1Cc2ccccc2C1 ZINC000568241684 406217021 /nfs/dbraw/zinc/21/70/21/406217021.db2.gz WFRDKNIETURTGR-UHFFFAOYSA-N 0 0 314.429 2.475 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1Cc2cncn2C1 ZINC000637223317 406219969 /nfs/dbraw/zinc/21/99/69/406219969.db2.gz KBYMVNHHTDKCGS-CVEARBPZSA-N 0 0 310.401 2.294 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CN(c2ccncn2)C1 ZINC000637262270 406233567 /nfs/dbraw/zinc/23/35/67/406233567.db2.gz ABIZKTIDIHRKKL-HIFRSBDPSA-N 0 0 315.421 2.099 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000569098709 406224200 /nfs/dbraw/zinc/22/42/00/406224200.db2.gz FPCSJXMAMAAXDN-KKUMJFAQSA-N 0 0 308.422 2.369 10 30 DEEERN C=CCn1c(-c2scnc2C)nnc1N1CCC(CO)CC1 ZINC000569101981 406224323 /nfs/dbraw/zinc/22/43/23/406224323.db2.gz JNXDPUGDFZNBPG-UHFFFAOYSA-N 0 0 319.434 2.105 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)CC(O)(CC)CC ZINC000632679983 406224981 /nfs/dbraw/zinc/22/49/81/406224981.db2.gz XFIRRJWPNFAZDP-UHFFFAOYSA-N 0 0 312.454 2.105 10 30 DEEERN C=CCOCCCNC(=O)NCc1ccc(C(C)(C)C)[nH]c1=O ZINC000637274769 406237771 /nfs/dbraw/zinc/23/77/71/406237771.db2.gz HZWBTIBNFDRCSA-UHFFFAOYSA-N 0 0 321.421 2.477 10 30 DEEERN C=CCOCCCNC(=O)N[C@@](C)(CO)Cc1ccccc1F ZINC000637276278 406238637 /nfs/dbraw/zinc/23/86/37/406238637.db2.gz ZNQVAJHJGRSTNI-QGZVFWFLSA-N 0 0 324.396 2.011 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NC1CCC(COC)CC1 ZINC000519768536 406250792 /nfs/dbraw/zinc/25/07/92/406250792.db2.gz IHZXENUMXPMZGD-UHFFFAOYSA-N 0 0 310.438 2.170 10 30 DEEERN C=CCCO[C@@H](C)C(=O)Nc1cn(-c2cccc(OC)c2)nn1 ZINC000637311988 406252531 /nfs/dbraw/zinc/25/25/31/406252531.db2.gz MGBOZLBEVHTTEI-LBPRGKRZSA-N 0 0 316.361 2.196 10 30 DEEERN C=C1CC(C)(C(=O)NC[C@@H](CO)Cc2ccncc2Cl)C1 ZINC000632808306 406271205 /nfs/dbraw/zinc/27/12/05/406271205.db2.gz NWMUPQYJPMIPMS-LBPRGKRZSA-N 0 0 308.809 2.359 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCc1nnc(C(F)F)o1 ZINC000632841022 406285840 /nfs/dbraw/zinc/28/58/40/406285840.db2.gz QPHBLRWJFORPOW-SKDRFNHKSA-N 0 0 315.320 2.037 10 30 DEEERN C=CC[C@H](CO)CNC(=O)NCc1ccc(C(C)(C)C)[nH]c1=O ZINC000637609678 406363969 /nfs/dbraw/zinc/36/39/69/406363969.db2.gz DKUIUGYUWNBHSE-LBPRGKRZSA-N 0 0 321.421 2.069 10 30 DEEERN C=CCC[C@H](CO)NC(=O)NCC1([C@@H]2CCCCO2)CCC1 ZINC000637694288 406391268 /nfs/dbraw/zinc/39/12/68/406391268.db2.gz JNDHEYAJURKASJ-CABCVRRESA-N 0 0 310.438 2.352 10 30 DEEERN C=CCCCS(=O)(=O)N[C@H](c1nnc2ccccn21)C(C)C ZINC000489556760 406417384 /nfs/dbraw/zinc/41/73/84/406417384.db2.gz BAGZJZCFTYPEEV-AWEZNQCLSA-N 0 0 322.434 2.312 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)Nc1cnn2c1CCCC2 ZINC000635097356 406423210 /nfs/dbraw/zinc/42/32/10/406423210.db2.gz IDVIYEGHMHWJIP-LBPRGKRZSA-N 0 0 304.394 2.019 10 30 DEEERN C=CCCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000489654605 406423855 /nfs/dbraw/zinc/42/38/55/406423855.db2.gz WANJXNVYIPWABR-CYBMUJFWSA-N 0 0 317.451 2.479 10 30 DEEERN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC000571770695 406564164 /nfs/dbraw/zinc/56/41/64/406564164.db2.gz RETFODDLAMOUGU-KGLIPLIRSA-N 0 0 315.421 2.079 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1csc(C(F)(F)F)n1 ZINC000571875040 406577133 /nfs/dbraw/zinc/57/71/33/406577133.db2.gz HXHHOMNJMJQKPR-CBAPKCEASA-N 0 0 306.309 2.483 10 30 DEEERN Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)c1C#N ZINC000491830742 406740013 /nfs/dbraw/zinc/74/00/13/406740013.db2.gz FSJUNDFAMFSYMS-LLVKDONJSA-N 0 0 321.327 2.499 10 30 DEEERN C=CCn1cc(CNC(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)nn1 ZINC000574195538 406780648 /nfs/dbraw/zinc/78/06/48/406780648.db2.gz XKEHLVQIOOQPIP-CZUORRHYSA-N 0 0 303.410 2.186 10 30 DEEERN N#Cc1cc(O)c(OC(F)F)c(I)c1 ZINC000575662107 406817354 /nfs/dbraw/zinc/81/73/54/406817354.db2.gz QONSMCMYZYLCBT-UHFFFAOYSA-N 0 0 311.025 2.470 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC000554611978 406817745 /nfs/dbraw/zinc/81/77/45/406817745.db2.gz SXJXYXIKQTYVJX-CABCVRRESA-N 0 0 320.437 2.424 10 30 DEEERN CCOC(=O)Cc1ccc([N+](=O)[O-])c(C#N)c1Br ZINC000575383680 406807913 /nfs/dbraw/zinc/80/79/13/406807913.db2.gz YJBSTMDHTVPLOE-UHFFFAOYSA-N 0 0 313.107 2.335 10 30 DEEERN N#CCc1c(F)c(I)ccc1[N+](=O)[O-] ZINC000575707402 406821419 /nfs/dbraw/zinc/82/14/19/406821419.db2.gz YUTSWKZUCJQZBM-UHFFFAOYSA-N 0 0 306.034 2.405 10 30 DEEERN CCOc1cc(N)c(CC#N)cc1I ZINC000575718444 406823195 /nfs/dbraw/zinc/82/31/95/406823195.db2.gz UDGSGADGHWQOKE-UHFFFAOYSA-N 0 0 302.115 2.338 10 30 DEEERN CCOc1ccc(I)c(N)c1CC#N ZINC000575717110 406823280 /nfs/dbraw/zinc/82/32/80/406823280.db2.gz BOYUQDWRDBFNQH-UHFFFAOYSA-N 0 0 302.115 2.338 10 30 DEEERN Cc1ncc(CNC(=O)c2ccc(C#CCO)c(Cl)c2)s1 ZINC000128760874 195989715 /nfs/dbraw/zinc/98/97/15/195989715.db2.gz ZZDLIZMWAJRJNN-UHFFFAOYSA-N 0 0 320.801 2.379 10 30 DEEERN C=CCCCN(C)C(=O)CNC(=O)c1ccc(OCC)cc1 ZINC000129256528 196032755 /nfs/dbraw/zinc/03/27/55/196032755.db2.gz LYDIMZFVXXZBRI-UHFFFAOYSA-N 0 0 304.390 2.240 10 30 DEEERN Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000131022033 196132845 /nfs/dbraw/zinc/13/28/45/196132845.db2.gz MAJMVCBYYUHGRV-UHFFFAOYSA-N 0 0 310.313 2.004 10 30 DEEERN CCc1n[nH]c(=O)c(CNC(=O)c2ccc(C#N)cc2C)c1CC ZINC000132201485 196235528 /nfs/dbraw/zinc/23/55/28/196235528.db2.gz PPRYKEYYLQYROD-UHFFFAOYSA-N 0 0 324.384 2.005 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)Nc1c(N)cccc1F ZINC000132326807 196246644 /nfs/dbraw/zinc/24/66/44/196246644.db2.gz RCCGJRQIDXNRLM-UHFFFAOYSA-N 0 0 305.334 2.389 10 30 DEEERN Cc1nn(Cc2ccc(SC(=O)N(C)C)cc2)c(N)c1C#N ZINC000132359447 196248931 /nfs/dbraw/zinc/24/89/31/196248931.db2.gz NTRCZADJVXOANH-UHFFFAOYSA-N 0 0 315.402 2.467 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc(F)cc1C(=O)OC ZINC000132281211 196241234 /nfs/dbraw/zinc/24/12/34/196241234.db2.gz DYLCIKLHICZCID-UHFFFAOYSA-N 0 0 315.366 2.199 10 30 DEEERN CN1CCO[C@@H](CNc2ccc(Br)cc2C#N)C1 ZINC000132328246 196245926 /nfs/dbraw/zinc/24/59/26/196245926.db2.gz MDHLGZUDWKJXAR-LBPRGKRZSA-N 0 0 310.195 2.063 10 30 DEEERN COc1c(N)ncnc1Nc1ccc(Br)cc1C#N ZINC000133046034 196307263 /nfs/dbraw/zinc/30/72/63/196307263.db2.gz CTEHFXHIKMLXSH-UHFFFAOYSA-N 0 0 320.150 2.445 10 30 DEEERN N#Cc1cccc(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000135456233 196476425 /nfs/dbraw/zinc/47/64/25/196476425.db2.gz HLFKQRUXJLYKBB-QGZVFWFLSA-N 0 0 308.337 2.478 10 30 DEEERN CCn1cc([C@H]2CN(C(=O)c3cccc(CC#N)c3)CCO2)cn1 ZINC000191731302 225116003 /nfs/dbraw/zinc/11/60/03/225116003.db2.gz FOKNLZZQGHNFQJ-QGZVFWFLSA-N 0 0 324.384 2.183 10 30 DEEERN COc1ccccc1O[C@H]1CCCN(c2nccc(C#N)n2)C1 ZINC000295681908 225120028 /nfs/dbraw/zinc/12/00/28/225120028.db2.gz MHGLVFJJOKGFQM-AWEZNQCLSA-N 0 0 310.357 2.405 10 30 DEEERN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H]1C ZINC000247145328 225231408 /nfs/dbraw/zinc/23/14/08/225231408.db2.gz NDMHBYPBAYPOKD-NQBHXWOUSA-N 0 0 317.414 2.401 10 30 DEEERN C[C@@H]1COCC[C@@H]1C(=O)Nc1ccnn1-c1ccc(C#N)cc1 ZINC000194357520 225179527 /nfs/dbraw/zinc/17/95/27/225179527.db2.gz WMGASDFSPZFIQI-DOMZBBRYSA-N 0 0 310.357 2.355 10 30 DEEERN C[C@@](C#N)(NC(=O)CN1CCC[C@@H](c2nccs2)C1)C1CC1 ZINC000249861363 225245514 /nfs/dbraw/zinc/24/55/14/225245514.db2.gz GAFHQQUMBASMNZ-WBMJQRKESA-N 0 0 318.446 2.131 10 30 DEEERN Cn1ncc2c1C[C@H](C(=O)NC[C@H]1CCCn3ccnc31)CC2 ZINC000328693850 225785029 /nfs/dbraw/zinc/78/50/29/225785029.db2.gz CSHGUFBSBCYHNZ-TZMCWYRMSA-N 0 0 313.405 2.256 10 30 DEEERN CCc1nn(C)cc1CNC(=O)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000328893913 225812801 /nfs/dbraw/zinc/81/28/01/225812801.db2.gz UQZMWVJKYKCQNR-HUUCEWRRSA-N 0 0 306.410 2.040 10 30 DEEERN O=C(NCc1ccc2c(c1)COC2)N1CC2(C1)CCCOC2 ZINC000329410697 225877264 /nfs/dbraw/zinc/87/72/64/225877264.db2.gz AKKYIJXJFVNXLI-UHFFFAOYSA-N 0 0 302.374 2.243 10 30 DEEERN O=C(Nc1cccc2c1OCO2)N1CCC[C@@H](n2cccn2)C1 ZINC000329426248 225878867 /nfs/dbraw/zinc/87/88/67/225878867.db2.gz GCLKPFQDVAMADX-GFCCVEGCSA-N 0 0 314.345 2.494 10 30 DEEERN C[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CCO1 ZINC000330147974 225972877 /nfs/dbraw/zinc/97/28/77/225972877.db2.gz LZSSTZWQHCEYKQ-QVHKTLOISA-N 0 0 307.394 2.269 10 30 DEEERN Cc1cccc(CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1Cl ZINC000365157987 226945440 /nfs/dbraw/zinc/94/54/40/226945440.db2.gz AZEMYHIIKBBRJP-HNNXBMFYSA-N 0 0 317.820 2.390 10 30 DEEERN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000408336513 227231976 /nfs/dbraw/zinc/23/19/76/227231976.db2.gz AYZQLWKRDSAEOM-WDEREUQCSA-N 0 0 302.378 2.210 10 30 DEEERN N#Cc1ccc(OCCNc2cc(CO)ccc2[N+](=O)[O-])cc1 ZINC000302059811 230071704 /nfs/dbraw/zinc/07/17/04/230071704.db2.gz RPODDDSIPQFASV-UHFFFAOYSA-N 0 0 313.313 2.450 10 30 DEEERN Cc1ccc(N2CCC[C@H](CNC(=O)C(C)C)C2)nc1C#N ZINC000302624710 230324073 /nfs/dbraw/zinc/32/40/73/230324073.db2.gz HTVHHRJQBKNHEZ-CQSZACIVSA-N 0 0 300.406 2.250 10 30 DEEERN Cc1cc(NC(=O)NC[C@@H](C)c2ccncc2)nn1CCC#N ZINC000611481861 422477454 /nfs/dbraw/zinc/47/74/54/422477454.db2.gz HBVMIOXVTXOZFY-GFCCVEGCSA-N 0 0 312.377 2.425 10 30 DEEERN CCC(=O)N1CC[C@H](Nc2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC000619696683 422531719 /nfs/dbraw/zinc/53/17/19/422531719.db2.gz MOUKJGIBUUSOMU-VIFPVBQESA-N 0 0 312.295 2.395 10 30 DEEERN C=CCNc1ncc(C(=O)NCCc2cnccc2C)s1 ZINC000622143127 422537493 /nfs/dbraw/zinc/53/74/93/422537493.db2.gz FJMCUIBWSRAOOB-UHFFFAOYSA-N 0 0 302.403 2.417 10 30 DEEERN Cc1ncc(S(=O)(=O)N2CCC[C@@H]3CCC[C@H]32)cc1C#N ZINC000313908798 269924755 /nfs/dbraw/zinc/92/47/55/269924755.db2.gz ACXPIQNROBWSME-SWLSCSKDSA-N 0 0 305.403 2.215 10 30 DEEERN Cc1nn(C)c(C)c1CCNC(=O)c1cccc(F)c1C#N ZINC000186629896 269926123 /nfs/dbraw/zinc/92/61/23/269926123.db2.gz KXUYLVYCLRTFNU-UHFFFAOYSA-N 0 0 300.337 2.020 10 30 DEEERN CCC(CC)(CNC(=O)Cc1cccc(C#N)c1)C(=O)OC ZINC000533108285 269996938 /nfs/dbraw/zinc/99/69/38/269996938.db2.gz CXXYRLVCZMOQIH-UHFFFAOYSA-N 0 0 302.374 2.196 10 30 DEEERN C=CCNc1nnc(Sc2ccc(C#N)c([N+](=O)[O-])c2)s1 ZINC000357301095 424815055 /nfs/dbraw/zinc/81/50/55/424815055.db2.gz LBUMGFOWCUWAQV-UHFFFAOYSA-N 0 0 319.371 3.067 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)Nc1cc(OC)n(C)n1 ZINC000548166294 424869799 /nfs/dbraw/zinc/86/97/99/424869799.db2.gz NXEUUKBTLWXUHY-UHFFFAOYSA-N 0 0 314.389 2.691 10 30 DEEERN CCc1nc(C)c(NC(=O)Nc2cc(C)n(CCC#N)n2)s1 ZINC000446484995 425052226 /nfs/dbraw/zinc/05/22/26/425052226.db2.gz MXNDKNWKECACBD-UHFFFAOYSA-N 0 0 318.406 3.077 10 30 DEEERN CCOC(=O)CN(C(=O)Cc1cccc(C#N)c1)C1CCCC1 ZINC000531431990 267116971 /nfs/dbraw/zinc/11/69/71/267116971.db2.gz GXRFNDKZMQYHKR-UHFFFAOYSA-N 0 0 314.385 2.435 10 30 DEEERN Cc1nc(C(=O)NCCOc2ccc(C#N)cc2)c(C)s1 ZINC000178750290 267584322 /nfs/dbraw/zinc/58/43/22/267584322.db2.gz FNWWLWSKLGAGJE-UHFFFAOYSA-N 0 0 301.371 2.440 10 30 DEEERN C=CCCCN(C)C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000172555489 277828819 /nfs/dbraw/zinc/82/88/19/277828819.db2.gz RZXKERFTQKTNRG-HNNXBMFYSA-N 0 0 307.438 2.339 10 30 DEEERN C=CCOCCN1C(=O)[C@H]2C[C@@H](C3CCCCC3)CN2C1=O ZINC000373884680 277876270 /nfs/dbraw/zinc/87/62/70/277876270.db2.gz ZQYVOZYJIQMMII-HUUCEWRRSA-N 0 0 306.406 2.422 10 30 DEEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC(C)(C#N)CC1 ZINC000356971382 278376797 /nfs/dbraw/zinc/37/67/97/278376797.db2.gz JWGVAFJSEGXUKA-KRWDZBQOSA-N 0 0 319.405 2.400 10 30 DEEERN C[C@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)CC(=O)N1C ZINC000283398201 278440473 /nfs/dbraw/zinc/44/04/73/278440473.db2.gz FJFWYAHXPYLRIO-JTQLQIEISA-N 0 0 314.776 2.427 10 30 DEEERN Cc1noc([C@@H]2CN(c3c(F)cc(C#N)cc3F)CCN2C)n1 ZINC000284682842 279256394 /nfs/dbraw/zinc/25/63/94/279256394.db2.gz XIMZORPLYFGDQR-ZDUSSCGKSA-N 0 0 319.315 2.021 10 30 DEEERN N#CC1(c2ccc(C(=O)N3CCC[C@@H](n4cncn4)C3)cc2)CC1 ZINC000181515207 279478619 /nfs/dbraw/zinc/47/86/19/279478619.db2.gz XTLQAMNQDDXEIF-MRXNPFEDSA-N 0 0 321.384 2.311 10 30 DEEERN O=C(N[C@H]1CNC(=O)C1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000329463887 279716802 /nfs/dbraw/zinc/71/68/02/279716802.db2.gz UHKDQMOJIYEQRV-RNFRBKRXSA-N 0 0 316.283 2.219 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NCC(=O)c1cccs1 ZINC000126954382 281844637 /nfs/dbraw/zinc/84/46/37/281844637.db2.gz HMKWRIQFSREZAX-NSHDSACASA-N 0 0 314.366 2.386 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000408357886 294821389 /nfs/dbraw/zinc/82/13/89/294821389.db2.gz COXQUCKSXUSJAY-GXFFZTMASA-N 0 0 301.321 2.132 10 30 DEEERN Cc1c(Cl)cnc(N2CCC[C@@H]2[C@H]2COCC[C@H]2O)c1C#N ZINC000408172636 300963116 /nfs/dbraw/zinc/96/31/16/300963116.db2.gz YWEZPADTZOIVAC-BPLDGKMQSA-N 0 0 321.808 2.281 10 30 DEEERN N#C[C@@H]1N(C[C@@H](O)CC(F)(F)F)CCC[C@]12CCCCO2 ZINC000366074452 303164528 /nfs/dbraw/zinc/16/45/28/303164528.db2.gz ROXIYITZQZBOKK-RWMBFGLXSA-N 0 0 306.328 2.227 10 30 DEEERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328733340 303510604 /nfs/dbraw/zinc/51/06/04/303510604.db2.gz JOXYRLWJTCFHGM-WHOHXGKFSA-N 0 0 322.327 2.121 10 30 DEEERN N#C[C@@H](C(=O)Nc1nncs1)c1nccn1Cc1ccccc1 ZINC000179460465 331524428 /nfs/dbraw/zinc/52/44/28/331524428.db2.gz AQODAKITMQVNPU-GFCCVEGCSA-N 0 0 324.369 2.029 10 30 DEEERN Cc1cc(F)ccc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000363406216 331899005 /nfs/dbraw/zinc/89/90/05/331899005.db2.gz LOXLBRGEJGYLPK-CQSZACIVSA-N 0 0 302.353 2.338 10 30 DEEERN C=CCCCCCNC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000518214192 331997419 /nfs/dbraw/zinc/99/74/19/331997419.db2.gz PBFVDWAIFQQPMS-UHFFFAOYSA-N 0 0 319.405 2.493 10 30 DEEERN C=CCCn1cc(C(=O)N2CC[C@@H](c3cc(C)ccn3)C2)nn1 ZINC000574890250 332322731 /nfs/dbraw/zinc/32/27/31/332322731.db2.gz TVYOONBTPXPAON-CQSZACIVSA-N 0 0 311.389 2.187 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000563019710 333063169 /nfs/dbraw/zinc/06/31/69/333063169.db2.gz PPRPYUZGSVZPQE-XPTSAGLGSA-N 0 0 316.317 2.247 10 30 DEEERN C[C@@H](C#N)CNC(=O)[C@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000181984600 333148028 /nfs/dbraw/zinc/14/80/28/333148028.db2.gz CQAZWAZLBOUUDM-LRDDRELGSA-N 0 0 309.410 2.442 10 30 DEEERN N#CC1(c2ccc(C(=O)NCc3nncn3C3CC3)cc2)CC1 ZINC000180285888 333160326 /nfs/dbraw/zinc/16/03/26/333160326.db2.gz NWSSCFCUKCIDND-UHFFFAOYSA-N 0 0 307.357 2.098 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(CC)s1 ZINC000571517706 333813429 /nfs/dbraw/zinc/81/34/29/333813429.db2.gz WHSAOBUYKHIDHN-JQWIXIFHSA-N 0 0 301.433 2.180 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(CNC(C)=O)cc1 ZINC000519639617 335884401 /nfs/dbraw/zinc/88/44/01/335884401.db2.gz OECWFRBLNFJPSN-HOCLYGCPSA-N 0 0 317.389 2.035 10 30 DEEERN C=CCN(C)c1nnc(-c2scnc2C)n1C[C@H]1CCOC1 ZINC000584351225 336066177 /nfs/dbraw/zinc/06/61/77/336066177.db2.gz XIOWFJMNPVTDGD-GFCCVEGCSA-N 0 0 319.434 2.369 10 30 DEEERN C=CCCCCNC(=O)C(=O)Nc1ccccc1N(C)C(C)=O ZINC000352190304 336200548 /nfs/dbraw/zinc/20/05/48/336200548.db2.gz MRGFTDXMFPZHGF-UHFFFAOYSA-N 0 0 317.389 2.080 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCCc1ccccc1F ZINC000582251809 336394060 /nfs/dbraw/zinc/39/40/60/336394060.db2.gz IHXUQOSJWNIKTG-UHFFFAOYSA-N 0 0 306.381 2.347 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000359118249 336658698 /nfs/dbraw/zinc/65/86/98/336658698.db2.gz UWEXHFJOIZGXKC-GJZGRUSLSA-N 0 0 322.449 2.313 10 30 DEEERN C=CCn1cc(CNC(=O)N[C@H](C)[C@H]2CC3CCC2CC3)nn1 ZINC000582789557 337166650 /nfs/dbraw/zinc/16/66/50/337166650.db2.gz FFTLMXKDHPQPAI-UWLZSVRSSA-N 0 0 317.437 2.478 10 30 DEEERN COCCCCS(=O)(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000185331795 337204269 /nfs/dbraw/zinc/20/42/69/337204269.db2.gz LUQVYOHPIMFASQ-HNNXBMFYSA-N 0 0 310.419 2.377 10 30 DEEERN C=CCCO[C@@H](C)C(=O)Nc1ccnc(C)c1Br ZINC000527091568 337312587 /nfs/dbraw/zinc/31/25/87/337312587.db2.gz XBZFYNYDBFKFCR-JTQLQIEISA-N 0 0 313.195 2.494 10 30 DEEERN CC(C)N(CCC#N)C(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000583791019 337333580 /nfs/dbraw/zinc/33/35/80/337333580.db2.gz YPXNKKZXIIXHCO-UHFFFAOYSA-N 0 0 315.373 2.101 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)CCc1ccc2c(c1)OCCO2 ZINC000515131767 337980205 /nfs/dbraw/zinc/98/02/05/337980205.db2.gz DHZJAGYTLCRYAC-CABCVRRESA-N 0 0 317.385 2.240 10 30 DEEERN C=C(C)Cn1c(C2CCCC2)nnc1N1CC[C@H](C(=O)NC)C1 ZINC000515151175 337980508 /nfs/dbraw/zinc/98/05/08/337980508.db2.gz MPEGWNHOFKJGOK-AWEZNQCLSA-N 0 0 317.437 2.084 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)C[C@@H](C)c1nccs1 ZINC000516458212 338012854 /nfs/dbraw/zinc/01/28/54/338012854.db2.gz PKPQUZWGXMBPFH-AGIUHOORSA-N 0 0 309.435 2.479 10 30 DEEERN C=CCOc1ccc(CN(C)Cc2nc(CCOC)no2)cc1 ZINC000505612983 340172933 /nfs/dbraw/zinc/17/29/33/340172933.db2.gz NXXUXUHEEKPVMF-UHFFFAOYSA-N 0 0 317.389 2.455 10 30 DEEERN CCc1c(C(=O)N[C@@H](C#N)C2CC2)cnn1-c1ccccc1OC ZINC000186872010 340516512 /nfs/dbraw/zinc/51/65/12/340516512.db2.gz AOUZXDNJCHDFND-AWEZNQCLSA-N 0 0 324.384 2.475 10 30 DEEERN C=CCC[C@H]1NC(=O)N(C[C@@]2(C)COc3ccccc3O2)C1=O ZINC000530202755 340782432 /nfs/dbraw/zinc/78/24/32/340782432.db2.gz WRPNVKSKTGRUHF-PXAZEXFGSA-N 0 0 316.357 2.103 10 30 DEEERN N#CCSCCCSc1nnnn1Cc1ccccc1 ZINC000075075889 341163176 /nfs/dbraw/zinc/16/31/76/341163176.db2.gz IOHDQYBJHSCSRO-UHFFFAOYSA-N 0 0 305.432 2.460 10 30 DEEERN C=CCn1cc(CNC(=O)N[C@H]2c3ccccc3C[C@@H]2C)nn1 ZINC000564322743 341217934 /nfs/dbraw/zinc/21/79/34/341217934.db2.gz HRTGIWFOJWSAHM-BLLLJJGKSA-N 0 0 311.389 2.197 10 30 DEEERN C=C[C@@](C)(CC)C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000134978716 341227694 /nfs/dbraw/zinc/22/76/94/341227694.db2.gz LSTPEIBSLXXLDI-DYVFJYSZSA-N 0 0 306.381 2.188 10 30 DEEERN C[C@H](C#N)CNC(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000248453078 341378224 /nfs/dbraw/zinc/37/82/24/341378224.db2.gz QHPMGTULHKZUTO-LALPHHSUSA-N 0 0 305.353 2.457 10 30 DEEERN CCOCCCn1c(CC)nnc1N1CCC(C)(C#N)CC1 ZINC000555324099 341480141 /nfs/dbraw/zinc/48/01/41/341480141.db2.gz SHUVBHYZXDDXFK-UHFFFAOYSA-N 0 0 305.426 2.397 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H]3C3CC3)cc2C1=O ZINC000572574155 341544561 /nfs/dbraw/zinc/54/45/61/341544561.db2.gz QHBYEKRSSFAYHC-HNNXBMFYSA-N 0 0 310.353 2.093 10 30 DEEERN C=C(C)CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000154273861 341587514 /nfs/dbraw/zinc/58/75/14/341587514.db2.gz YLAOCBBIQGHOSG-ILXRZTDVSA-N 0 0 300.406 2.306 10 30 DEEERN C=C(C)Cn1c(N2CCO[C@H](CC)C2)nnc1[C@@]1(C)CCCO1 ZINC000567688916 341627800 /nfs/dbraw/zinc/62/78/00/341627800.db2.gz OTYYNZGAPQYONO-RHSMWYFYSA-N 0 0 320.437 2.495 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N(C)CCNC(C)=O ZINC000567856778 341637247 /nfs/dbraw/zinc/63/72/47/341637247.db2.gz QYNHUCMRXJDGLO-UHFFFAOYSA-N 0 0 307.442 2.015 10 30 DEEERN C=CCn1c(COCC)nnc1N1CCC[C@@]2(CCOC2)C1 ZINC000573915636 341743082 /nfs/dbraw/zinc/74/30/82/341743082.db2.gz DNKIYQAIRHMDOH-MRXNPFEDSA-N 0 0 306.410 2.008 10 30 DEEERN COc1ccccc1-n1ncc(C(=O)N[C@@H](C#N)C2CC2)c1C ZINC000194830024 533933821 /nfs/dbraw/zinc/93/38/21/533933821.db2.gz CLVVPAXAPQAWIS-AWEZNQCLSA-N 0 0 310.357 2.221 10 30 DEEERN COC(=O)c1ccc(CCC(=O)Nc2cc(C#N)ccn2)cc1 ZINC000436001887 534083130 /nfs/dbraw/zinc/08/31/30/534083130.db2.gz OTTMSLULNCBDJH-UHFFFAOYSA-N 0 0 309.325 2.311 10 30 DEEERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000190313562 534181916 /nfs/dbraw/zinc/18/19/16/534181916.db2.gz WPNIBFYBOXFPQK-QEJZJMRPSA-N 0 0 308.403 2.128 10 30 DEEERN C[C@H](CC(=O)N[C@@H]1CCc2c[nH]nc2C1)N1CCCCC1=O ZINC000328791919 534299060 /nfs/dbraw/zinc/29/90/60/534299060.db2.gz ZOUVHEHZIUMPJZ-DGCLKSJQSA-N 0 0 304.394 2.015 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC1(CF)CCOCC1 ZINC000454898493 534350355 /nfs/dbraw/zinc/35/03/55/534350355.db2.gz KOMNYBPZVLDNTE-ZIAGYGMSSA-N 0 0 314.401 2.033 10 30 DEEERN Cc1noc(C)c1CN1CCN(CC#Cc2ccccc2)CC1 ZINC000192090653 534355793 /nfs/dbraw/zinc/35/57/93/534355793.db2.gz MKPMYDVBXGYLTK-UHFFFAOYSA-N 0 0 309.413 2.461 10 30 DEEERN C=C(CC)CNC(=O)NCCc1nc(C(=O)OCC)cs1 ZINC000454835151 534408319 /nfs/dbraw/zinc/40/83/19/534408319.db2.gz WNHACWRGUBCOOC-UHFFFAOYSA-N 0 0 311.407 2.128 10 30 DEEERN C=C(CC)CNC(=O)NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000454641313 534410450 /nfs/dbraw/zinc/41/04/50/534410450.db2.gz KAJFFTZOEIZAGE-UHFFFAOYSA-N 0 0 315.377 2.041 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N(CC(C)C)C(C)C ZINC000453423569 534427687 /nfs/dbraw/zinc/42/76/87/534427687.db2.gz LISUAGQYALUAPL-UHFFFAOYSA-N 0 0 317.441 2.439 10 30 DEEERN C=CCn1c(S[C@H]2CCCNC2=O)nnc1-c1ccco1 ZINC000488590180 534446551 /nfs/dbraw/zinc/44/65/51/534446551.db2.gz ARKYDPKJSSGKNM-NSHDSACASA-N 0 0 304.375 2.095 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(CC(F)(F)F)CC1 ZINC000456928240 534576585 /nfs/dbraw/zinc/57/65/85/534576585.db2.gz AWIWVAPSRKSGBT-OLZOCXBDSA-N 0 0 320.355 2.063 10 30 DEEERN N#CCCCS(=O)(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000190929006 534618835 /nfs/dbraw/zinc/61/88/35/534618835.db2.gz PBTPXHDLJMGUTG-UHFFFAOYSA-N 0 0 307.350 2.230 10 30 DEEERN C[C@H]1CN(C(=O)c2sccc2C#N)C[C@@]2(CCCOC2)O1 ZINC000373604199 524552578 /nfs/dbraw/zinc/55/25/78/524552578.db2.gz OXDJPVBIESJZBH-XHDPSFHLSA-N 0 0 306.387 2.030 10 30 DEEERN C=CCC[C@@H](NC(=O)c1ccnc2ccncc21)C(=O)OCC ZINC000456598180 534794268 /nfs/dbraw/zinc/79/42/68/534794268.db2.gz AOHRLHNFGGJVJH-OAHLLOKOSA-N 0 0 313.357 2.258 10 30 DEEERN C=CCC[C@H](NC(=O)C(=O)c1ccc(F)cc1)C(=O)OCC ZINC000456604964 534804585 /nfs/dbraw/zinc/80/45/85/534804585.db2.gz KGKVMMKDMBMTJI-ZDUSSCGKSA-N 0 0 307.321 2.023 10 30 DEEERN CC#CCCCC(=O)Nc1nc(C)n(C)c1C(=O)NCCCC ZINC000344040333 526304395 /nfs/dbraw/zinc/30/43/95/526304395.db2.gz HIJFNHWSJPGTFJ-UHFFFAOYSA-N 0 0 318.421 2.391 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1c(C)nnn1CC ZINC000299200069 526344778 /nfs/dbraw/zinc/34/47/78/526344778.db2.gz UNFKSALWFRDLDC-UHFFFAOYSA-N 0 0 309.373 2.307 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CC[C@@H](C)C3)cc2C1=O ZINC000444325346 526411466 /nfs/dbraw/zinc/41/14/66/526411466.db2.gz ZTYGKEWFUAOYBU-YPMHNXCESA-N 0 0 312.369 2.387 10 30 DEEERN C=CCN1CC[C@H](N(C)CC#Cc2ccccc2Cl)C1=O ZINC000337226436 526499346 /nfs/dbraw/zinc/49/93/46/526499346.db2.gz PJCXQAWXWQHSIR-INIZCTEOSA-N 0 0 302.805 2.410 10 30 DEEERN C=CCNC(=O)NC(=O)CN1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000245408588 526593065 /nfs/dbraw/zinc/59/30/65/526593065.db2.gz HYVWHAJASDTKSP-MLGOLLRUSA-N 0 0 319.380 2.220 10 30 DEEERN CC(=O)N1CCC[C@H]1C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000291392041 526594171 /nfs/dbraw/zinc/59/41/71/526594171.db2.gz SSOKOPXXSPXDRA-WMZOPIPTSA-N 0 0 313.401 2.029 10 30 DEEERN C=C(C)CNC(=O)C(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000427084702 526611898 /nfs/dbraw/zinc/61/18/98/526611898.db2.gz AANYSGTWYWVANC-UHFFFAOYSA-N 0 0 314.336 2.108 10 30 DEEERN C#CCCCNC(=O)N1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000367882967 526709378 /nfs/dbraw/zinc/70/93/78/526709378.db2.gz AODUBHZFFJZCBU-HNNXBMFYSA-N 0 0 321.421 2.196 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H](CO)c1nc(-c2ccccc2)no1 ZINC000375990459 526712646 /nfs/dbraw/zinc/71/26/46/526712646.db2.gz BSZJYIQZCWNAAU-GXTWGEPZSA-N 0 0 315.373 2.489 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000184252551 526712823 /nfs/dbraw/zinc/71/28/23/526712823.db2.gz KSMGHALNRBGHAU-QWHCGFSZSA-N 0 0 324.446 2.374 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC000283029871 526728716 /nfs/dbraw/zinc/72/87/16/526728716.db2.gz UHFDDQZRBIMBTM-CQSZACIVSA-N 0 0 319.453 2.110 10 30 DEEERN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCOC[C@@H]1C ZINC000292969723 526731461 /nfs/dbraw/zinc/73/14/61/526731461.db2.gz MRMPODFIGWWKHN-AWEZNQCLSA-N 0 0 313.405 2.065 10 30 DEEERN C=CCOCCCC(=O)N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000368856805 526735974 /nfs/dbraw/zinc/73/59/74/526735974.db2.gz XRFSNVOYWKBLTI-HNNXBMFYSA-N 0 0 322.405 2.392 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CC=C(C)CC1 ZINC000292886350 526737084 /nfs/dbraw/zinc/73/70/84/526737084.db2.gz ICSZWKYDDPGUDE-AWEZNQCLSA-N 0 0 304.394 2.099 10 30 DEEERN C=CCOCCCC(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000369760447 526742972 /nfs/dbraw/zinc/74/29/72/526742972.db2.gz OTXXRNIBWIBABM-HNNXBMFYSA-N 0 0 305.422 2.420 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C(=O)OC)cc1OC ZINC000362504379 526764926 /nfs/dbraw/zinc/76/49/26/526764926.db2.gz HKVNHNNAQDODIB-WFASDCNBSA-N 0 0 319.357 2.402 10 30 DEEERN C=CCOCCNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000370357753 526775407 /nfs/dbraw/zinc/77/54/07/526775407.db2.gz CXVMVFVNFFFDOJ-CQSZACIVSA-N 0 0 318.373 2.464 10 30 DEEERN C=CCOCCNC(=O)N1CCCN(c2ccccc2F)CC1 ZINC000376416067 526775646 /nfs/dbraw/zinc/77/56/46/526775646.db2.gz XKGPLILZLVSJAB-UHFFFAOYSA-N 0 0 321.396 2.250 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(N(C)C)cc1 ZINC000280767337 526783112 /nfs/dbraw/zinc/78/31/12/526783112.db2.gz NYMKDERXIRYTJD-CJNGLKHVSA-N 0 0 324.446 2.012 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@H](C)c2ccc(OC)c(F)c2)C1=O ZINC000348490614 526800159 /nfs/dbraw/zinc/80/01/59/526800159.db2.gz HSVYIFTZTLZCNT-MFKMUULPSA-N 0 0 322.336 2.018 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCC(Oc2cnccn2)CC1)OCC ZINC000373299927 526807183 /nfs/dbraw/zinc/80/71/83/526807183.db2.gz PYYHRFKPEPGQBA-HNNXBMFYSA-N 0 0 319.405 2.218 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000437492247 526829253 /nfs/dbraw/zinc/82/92/53/526829253.db2.gz CFKISDPZTUYCKA-SJLPKXTDSA-N 0 0 313.397 2.455 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCCc1ccccn1 ZINC000281589083 526831903 /nfs/dbraw/zinc/83/19/03/526831903.db2.gz QEURKSOFNVKPSZ-GDBMZVCRSA-N 0 0 303.406 2.295 10 30 DEEERN C=C1CCN(C(=O)C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000408075944 526894114 /nfs/dbraw/zinc/89/41/14/526894114.db2.gz ZXYLYDHBFYMCMR-UHFFFAOYSA-N 0 0 302.374 2.310 10 30 DEEERN C=C1CCN(C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000342087296 526897831 /nfs/dbraw/zinc/89/78/31/526897831.db2.gz BAJAHHUAQAFOBY-CYBMUJFWSA-N 0 0 320.339 2.496 10 30 DEEERN C=CCOc1ccccc1CNc1cnc(OC)c(C(N)=O)c1 ZINC000338933072 526952031 /nfs/dbraw/zinc/95/20/31/526952031.db2.gz IBZGQHLLJCVABT-UHFFFAOYSA-N 0 0 313.357 2.366 10 30 DEEERN C=CCOc1cccnc1C(=O)NCc1ccc2cc[nH]c2n1 ZINC000358380962 526963317 /nfs/dbraw/zinc/96/33/17/526963317.db2.gz HBPKNUPFSFIOSZ-UHFFFAOYSA-N 0 0 308.341 2.453 10 30 DEEERN C=CCSCCNC(=O)N[C@H]1COc2ccc(F)cc2C1 ZINC000341308941 526996144 /nfs/dbraw/zinc/99/61/44/526996144.db2.gz LQZGTWAGEYIKHO-CYBMUJFWSA-N 0 0 310.394 2.348 10 30 DEEERN C=CCC(C)(C)c1nc(-c2ccc(S(N)(=O)=O)cc2)no1 ZINC000428172837 527020024 /nfs/dbraw/zinc/02/00/24/527020024.db2.gz AQTKZNXKZOXPRU-UHFFFAOYSA-N 0 0 307.375 2.238 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000334053001 527040771 /nfs/dbraw/zinc/04/07/71/527040771.db2.gz HIFZPHDJILKDPR-HUUCEWRRSA-N 0 0 307.438 2.385 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000341457397 527041143 /nfs/dbraw/zinc/04/11/43/527041143.db2.gz KUJOVMLEPIDMEA-CABCVRRESA-N 0 0 320.437 2.475 10 30 DEEERN C=CCC1(c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)CCOCC1 ZINC000333570142 527065070 /nfs/dbraw/zinc/06/50/70/527065070.db2.gz MISYWPOJTWHYMK-KGLIPLIRSA-N 0 0 319.405 2.230 10 30 DEEERN C#CCOc1ccc(CNC(=O)[C@H]2CCCc3n[nH]cc32)cc1 ZINC000296971175 527103519 /nfs/dbraw/zinc/10/35/19/527103519.db2.gz KMNWKFFKCNOSCL-HNNXBMFYSA-N 0 0 309.369 2.158 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)N1CC[C@]2(C1)CCCOC2 ZINC000410638178 527117484 /nfs/dbraw/zinc/11/74/84/527117484.db2.gz CZSCOVTZGMVMGU-SFHVURJKSA-N 0 0 322.449 2.220 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000410638177 527118204 /nfs/dbraw/zinc/11/82/04/527118204.db2.gz CZSCOVTZGMVMGU-GOSISDBHSA-N 0 0 322.449 2.220 10 30 DEEERN C#CCSCCNC(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000363694492 527142475 /nfs/dbraw/zinc/14/24/75/527142475.db2.gz AEQPEZFKBIQXTE-HNNXBMFYSA-N 0 0 303.431 2.022 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC([C@@H]2CCOC2)C1 ZINC000377252979 527160289 /nfs/dbraw/zinc/16/02/89/527160289.db2.gz XKNOXFWSJCLJME-AEFFLSMTSA-N 0 0 312.413 2.299 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCc1cnn(C)c1C ZINC000285949282 527171654 /nfs/dbraw/zinc/17/16/54/527171654.db2.gz VJAQWQVNPJPUEN-GOSISDBHSA-N 0 0 309.413 2.412 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](CO)C/C=C/C ZINC000287202375 527172397 /nfs/dbraw/zinc/17/23/97/527172397.db2.gz DOZRHZTWDGMNRA-QZJSNOFBSA-N 0 0 300.402 2.247 10 30 DEEERN C#CC[C@H](NC(=O)N[C@@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000368192291 527174778 /nfs/dbraw/zinc/17/47/78/527174778.db2.gz XGKYSRHKZSTKIX-CABCVRRESA-N 0 0 308.385 2.331 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCC1CCC(F)(F)CC1 ZINC000352905855 527175971 /nfs/dbraw/zinc/17/59/71/527175971.db2.gz AXVPOGGDMHMDKW-UHFFFAOYSA-N 0 0 302.365 2.353 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](C)COc1cccc(C)c1 ZINC000285539522 527176646 /nfs/dbraw/zinc/17/66/46/527176646.db2.gz PNKBZJGMRLCLKJ-HNNXBMFYSA-N 0 0 318.417 2.303 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)CCc1ccc(OC)cc1 ZINC000183244841 527198022 /nfs/dbraw/zinc/19/80/22/527198022.db2.gz VPKBIKBRLFZAIZ-DZGCQCFKSA-N 0 0 306.406 2.253 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000248609237 527200031 /nfs/dbraw/zinc/20/00/31/527200031.db2.gz KODOPJQUAUKQLO-BZUAXINKSA-N 0 0 304.390 2.143 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000338528161 527202897 /nfs/dbraw/zinc/20/28/97/527202897.db2.gz MFYWBTHPEBVBHE-SECBINFHSA-N 0 0 303.284 2.467 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000185754825 527206337 /nfs/dbraw/zinc/20/63/37/527206337.db2.gz FMSLTNIJPFCFJM-SNVBAGLBSA-N 0 0 306.343 2.476 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)NCc1noc(C)n1 ZINC000413308174 527218248 /nfs/dbraw/zinc/21/82/48/527218248.db2.gz CJYPAPOKIMQHFY-CQSZACIVSA-N 0 0 300.362 2.365 10 30 DEEERN C=CCCCS(=O)(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000292617386 527240896 /nfs/dbraw/zinc/24/08/96/527240896.db2.gz OHBRPWSJIRWHAV-GFCCVEGCSA-N 0 0 301.433 2.417 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000417992310 527263178 /nfs/dbraw/zinc/26/31/78/527263178.db2.gz WMQAHESECDHJBX-GDBMZVCRSA-N 0 0 302.422 2.482 10 30 DEEERN C=CCn1c(C2CC2)nnc1N(C)Cc1nc([C@@H](C)OC)no1 ZINC000282672861 527305450 /nfs/dbraw/zinc/30/54/50/527305450.db2.gz SAYGCJBCPZGKFL-SNVBAGLBSA-N 0 0 318.381 2.068 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N(C)Cc1cnn(C)c1 ZINC000282345974 527315430 /nfs/dbraw/zinc/31/54/30/527315430.db2.gz RYZXEKJUXNVYCN-UHFFFAOYSA-N 0 0 302.426 2.423 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N1CCOC(C)(C)C1 ZINC000337768741 527319684 /nfs/dbraw/zinc/31/96/84/527319684.db2.gz CQNFUPUCHFTKTJ-UHFFFAOYSA-N 0 0 316.405 2.458 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N1CCO[C@H](CF)C1 ZINC000414532973 527319954 /nfs/dbraw/zinc/31/99/54/527319954.db2.gz VEAQLEZWVQYADC-CQSZACIVSA-N 0 0 320.368 2.017 10 30 DEEERN C=CCn1c(COCC)nnc1N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000337855755 527323919 /nfs/dbraw/zinc/32/39/19/527323919.db2.gz LHKOECLXFFZYRB-LSDHHAIUSA-N 0 0 320.437 2.254 10 30 DEEERN C=C[C@@H](CC(=O)NCC(=O)NCc1ccco1)c1ccccc1 ZINC000340068881 527421420 /nfs/dbraw/zinc/42/14/20/527421420.db2.gz TVTSEIMWMTZVQI-AWEZNQCLSA-N 0 0 312.369 2.372 10 30 DEEERN C=CCC[C@@H](C(=O)N1CCN2CCOC[C@@H]2C1)c1ccccc1 ZINC000375280700 527422469 /nfs/dbraw/zinc/42/24/69/527422469.db2.gz XNMZQJGOMOYXDR-ZWKOTPCHSA-N 0 0 314.429 2.279 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000296591959 527435332 /nfs/dbraw/zinc/43/53/32/527435332.db2.gz GNZSTEHKJQPRAI-QGZVFWFLSA-N 0 0 308.385 2.329 10 30 DEEERN C#Cc1cccc(NC(=O)N2C[C@@H](CC)O[C@@]3(CCOC3)C2)c1 ZINC000366812404 527456235 /nfs/dbraw/zinc/45/62/35/527456235.db2.gz UCECNQVMXVUXIL-AEFFLSMTSA-N 0 0 314.385 2.470 10 30 DEEERN C=CCC[C@H](C(=O)N1CCO[C@@H]([C@H](C)O)C1)c1ccccc1 ZINC000412914252 527461991 /nfs/dbraw/zinc/46/19/91/527461991.db2.gz ICQDKXUIQSGFFN-BHYGNILZSA-N 0 0 303.402 2.345 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000413869008 527471419 /nfs/dbraw/zinc/47/14/19/527471419.db2.gz HKTXAFWJYFMRMH-LSDHHAIUSA-N 0 0 321.396 2.031 10 30 DEEERN C=CCCn1cc(C(=O)N(C)CCc2ccccc2OC)nn1 ZINC000424643497 527514879 /nfs/dbraw/zinc/51/48/79/527514879.db2.gz LKSUHISAHCIJDK-UHFFFAOYSA-N 0 0 314.389 2.178 10 30 DEEERN C=CCN(C(=O)C(=O)Nc1cc(OC)cc(OC)c1C)C1CC1 ZINC000337541904 527531127 /nfs/dbraw/zinc/53/11/27/527531127.db2.gz JYQVGSIWTSIHBT-UHFFFAOYSA-N 0 0 318.373 2.128 10 30 DEEERN C=C[C@H](C)NC(=O)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000356223020 527558239 /nfs/dbraw/zinc/55/82/39/527558239.db2.gz MDVVSSARZGRMLG-GJZGRUSLSA-N 0 0 319.449 2.385 10 30 DEEERN C=C[C@H](C)NC(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000345213458 527560374 /nfs/dbraw/zinc/56/03/74/527560374.db2.gz AGGXWAJEFYZVQD-JTQLQIEISA-N 0 0 324.812 2.146 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CO[C@@H](C)c1nccn1C ZINC000341434833 527584773 /nfs/dbraw/zinc/58/47/73/527584773.db2.gz ASIRVONQUJWWGH-JTQLQIEISA-N 0 0 305.300 2.075 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NCCOc1ccc(C#N)cc1 ZINC000189057311 527618505 /nfs/dbraw/zinc/61/85/05/527618505.db2.gz MHSBDHHKUHSJFD-QGZVFWFLSA-N 0 0 302.374 2.282 10 30 DEEERN C=CCN(CCC#N)CC(=O)N(CC(C)C)CC(F)(F)F ZINC000428858110 527657321 /nfs/dbraw/zinc/65/73/21/527657321.db2.gz CABKBVLDEVXUII-UHFFFAOYSA-N 0 0 305.344 2.435 10 30 DEEERN CC1(C)[C@H](NC(=O)c2ccccc2OCC#N)[C@@H]2CCO[C@H]21 ZINC000247351239 527866299 /nfs/dbraw/zinc/86/62/99/527866299.db2.gz ZPBDFHNXNOHAQE-NWANDNLSSA-N 0 0 300.358 2.132 10 30 DEEERN CC(C)OC[C@H]1CN(C(=O)NCC2CCC(C#N)CC2)CCO1 ZINC000373009021 528030563 /nfs/dbraw/zinc/03/05/63/528030563.db2.gz YYSNDCXZDQURPO-UYSNPLJNSA-N 0 0 323.437 2.152 10 30 DEEERN CC(C)n1c(CC2CCCC2)nnc1N1CCN(C)[C@H](C#N)C1 ZINC000333228807 528538843 /nfs/dbraw/zinc/53/88/43/528538843.db2.gz NRVVQOUHVNSEQP-OAHLLOKOSA-N 0 0 316.453 2.236 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(Cc3noc(C(C)C)n3)C2)n1 ZINC000328617192 528747213 /nfs/dbraw/zinc/74/72/13/528747213.db2.gz CKXRWBYQWVYTCF-GFCCVEGCSA-N 0 0 318.381 2.444 10 30 DEEERN CC[C@H](CC#N)NC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 ZINC000156238730 529298143 /nfs/dbraw/zinc/29/81/43/529298143.db2.gz DGFJILIWLKYQLT-LLVKDONJSA-N 0 0 309.391 2.212 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@@H]1CCC[C@H]1C(=O)N[C@@H](CC)CC#N ZINC000248395825 529298972 /nfs/dbraw/zinc/29/89/72/529298972.db2.gz JORZGUAEMJQXEE-LXTVHRRPSA-N 0 0 318.421 2.020 10 30 DEEERN CC(C)C[C@@](C)(C#N)NC(=O)c1c(Br)cnn1C ZINC000449828451 535294790 /nfs/dbraw/zinc/29/47/90/535294790.db2.gz XCXDATOVULANKC-LBPRGKRZSA-N 0 0 313.199 2.241 10 30 DEEERN CCO[C@H](C)c1noc(CN(C)C(=O)c2sccc2C#N)n1 ZINC000361883638 535576903 /nfs/dbraw/zinc/57/69/03/535576903.db2.gz DGNXIFAPNQFJAR-SECBINFHSA-N 0 0 320.374 2.372 10 30 DEEERN COCCOc1ccc(C#N)cc1NC(=O)c1ccnc(C#N)c1 ZINC000193804641 536608260 /nfs/dbraw/zinc/60/82/60/536608260.db2.gz QSXRXACDQVORDD-UHFFFAOYSA-N 0 0 322.324 2.102 10 30 DEEERN COC1(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCCC1 ZINC000452174712 536670623 /nfs/dbraw/zinc/67/06/23/536670623.db2.gz LGQAOGZAVBBBCO-MRXNPFEDSA-N 0 0 324.421 2.323 10 30 DEEERN COCCOCc1cc(C(=O)O[C@@H](C#N)C2CC2)ccc1F ZINC000177035014 625619484 /nfs/dbraw/zinc/61/94/84/625619484.db2.gz SLZNAWPCBNHXMU-HNNXBMFYSA-N 0 0 307.321 2.448 10 30 DEEERN C#CC[C@H](OC(=O)c1ccc(CS(C)(=O)=O)cc1)C(C)C ZINC000177716146 623733951 /nfs/dbraw/zinc/73/39/51/623733951.db2.gz MXTHZDSIYHJJEH-HNNXBMFYSA-N 0 0 308.399 2.436 10 30 DEEERN O=C1Nc2ccccc2S(=O)(=O)N1CC#Cc1ccccc1 ZINC000188063831 625101086 /nfs/dbraw/zinc/10/10/86/625101086.db2.gz SPQPEFNCMWYRHQ-UHFFFAOYSA-N 0 0 312.350 2.275 10 30 DEEERN COc1cccc(/C=N\[C@@H]2CCCN(c3ncccn3)C2)c1O ZINC000255573047 625187087 /nfs/dbraw/zinc/18/70/87/625187087.db2.gz GHAWYADQLKBEHF-LPKQHDGYSA-N 0 0 312.373 2.279 10 30 DEEERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C#N)C1CC1 ZINC000161920786 625248037 /nfs/dbraw/zinc/24/80/37/625248037.db2.gz CUDPVQVRPOKDRO-VBNZEHGJSA-N 0 0 313.401 2.249 10 30 DEEERN COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccn(C)c2C)c1 ZINC000194885827 625752908 /nfs/dbraw/zinc/75/29/08/625752908.db2.gz OCDKXGWUXKRRMD-HNNXBMFYSA-N 0 0 311.341 2.303 10 30 DEEERN CC(C)(CCC#N)COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000195086521 625772332 /nfs/dbraw/zinc/77/23/32/625772332.db2.gz LKSVOIVOLBAJHD-STQMWFEESA-N 0 0 320.389 2.035 10 30 DEEERN C#CCN1CCN(C(=O)CCc2c[nH]c3ccc(C)cc23)CC1 ZINC000073640778 634791964 /nfs/dbraw/zinc/79/19/64/634791964.db2.gz BPCRIPRCNXMYJT-UHFFFAOYSA-N 0 0 309.413 2.186 10 30 DEEERN C=CCN(C(=O)C(=O)C(C)(C)C)c1nc(C(=O)OCC)cs1 ZINC000733926298 633302049 /nfs/dbraw/zinc/30/20/49/633302049.db2.gz QJHHDAGSOILGGD-UHFFFAOYSA-N 0 0 324.402 2.454 10 30 DEEERN C=C(COC(=O)[C@H](C)Oc1cccc(C(C)=O)c1)C(=O)OCC ZINC000734028042 633313071 /nfs/dbraw/zinc/31/30/71/633313071.db2.gz CCWRGZOESXEDGM-ZDUSSCGKSA-N 0 0 320.341 2.319 10 30 DEEERN C=C(COC(=O)c1cccc(N2CCCC2=O)c1)C(=O)OCC ZINC000734027778 633313083 /nfs/dbraw/zinc/31/30/83/633313083.db2.gz RRTQGVZJMJFFSJ-UHFFFAOYSA-N 0 0 317.341 2.090 10 30 DEEERN C=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)OCC ZINC000734030416 633313975 /nfs/dbraw/zinc/31/39/75/633313975.db2.gz UUYAAUMOWSXMGY-UHFFFAOYSA-N 0 0 315.228 2.149 10 30 DEEERN C=C(COC(=O)c1ccc(Br)o1)C(=O)OCC ZINC000734024454 633317707 /nfs/dbraw/zinc/31/77/07/633317707.db2.gz LQOSMOMCLZJDMA-UHFFFAOYSA-N 0 0 303.108 2.318 10 30 DEEERN C=C(COC(=O)/C=C\c1ccc2c(c1)OCO2)C(=O)OCC ZINC000734025158 633318130 /nfs/dbraw/zinc/31/81/30/633318130.db2.gz DMMSMLFOCHSALX-ALCCZGGFSA-N 0 0 304.298 2.091 10 30 DEEERN C#CCOc1ccccc1CNC(=O)NCCc1ccccc1O ZINC000734215949 633343230 /nfs/dbraw/zinc/34/32/30/633343230.db2.gz GESZLJIREQXGNF-UHFFFAOYSA-N 0 0 324.380 2.446 10 30 DEEERN N#C[C@@H]1CN(C(=O)C[C@@H]2CCc3ccccc32)CCN1C1CC1 ZINC000734393826 633366055 /nfs/dbraw/zinc/36/60/55/633366055.db2.gz WFRHCPABCFKYJP-DOTOQJQBSA-N 0 0 309.413 2.305 10 30 DEEERN N#C[C@H](C(=O)CCCOc1ccccc1F)C(=O)N1CCCC1 ZINC000125280717 633519001 /nfs/dbraw/zinc/51/90/01/633519001.db2.gz JSHPYPMLEHSGFN-CYBMUJFWSA-N 0 0 318.348 2.316 10 30 DEEERN C=CCC1(C(=O)N2CCC(c3cn[nH]c3)CC2)CCOCC1 ZINC000424673906 635124672 /nfs/dbraw/zinc/12/46/72/635124672.db2.gz BVZRBOVIDYCJSM-UHFFFAOYSA-N 0 0 303.406 2.489 10 30 DEEERN C=CCS(=O)(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000222345255 636271288 /nfs/dbraw/zinc/27/12/88/636271288.db2.gz SZXIQJGCDVYRFP-GFCCVEGCSA-N 0 0 305.403 2.258 10 30 DEEERN C#Cc1cccc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)c1 ZINC000198986602 636517313 /nfs/dbraw/zinc/51/73/13/636517313.db2.gz LKGCEOCFKIWWQV-KRWDZBQOSA-N 0 0 317.352 2.077 10 30 DEEERN C#CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000163877615 636652329 /nfs/dbraw/zinc/65/23/29/636652329.db2.gz NTJGGJDLSJGIJR-UHFFFAOYSA-N 0 0 315.373 2.435 10 30 DEEERN C#CCOCCC(=O)N1CCc2cccc(Br)c2C1 ZINC000178935941 637405941 /nfs/dbraw/zinc/40/59/41/637405941.db2.gz KMFAXIYDHSEXRW-UHFFFAOYSA-N 0 0 322.202 2.374 10 30 DEEERN Cc1ccc(N=NCc2ccccc2OCC(=O)N(C)C)nc1 ZINC000727259735 637798358 /nfs/dbraw/zinc/79/83/58/637798358.db2.gz LQBBBCCZCIGEIG-UHFFFAOYSA-N 0 0 312.373 2.303 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=S)NC[C@@H]1CCCO1 ZINC000741511055 637991378 /nfs/dbraw/zinc/99/13/78/637991378.db2.gz UJPQDQSSHXRPEL-LBPRGKRZSA-N 0 0 308.378 2.303 10 30 DEEERN C[C@H]1CCC[C@H](CNc2ccc(S(N)(=O)=O)cc2C#N)C1 ZINC000742395768 638066714 /nfs/dbraw/zinc/06/67/14/638066714.db2.gz JYTHKWFRSVOATE-RYUDHWBXSA-N 0 0 307.419 2.444 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cccc3cnccc32)CCN1C1CC1 ZINC000744510773 638226459 /nfs/dbraw/zinc/22/64/59/638226459.db2.gz NRZPSMTXHVQCQA-OAHLLOKOSA-N 0 0 306.369 2.047 10 30 DEEERN C#Cc1cccc(NC(=S)NC[C@H]2CCC[N@H+]2CCOC)c1 ZINC000727703803 638256695 /nfs/dbraw/zinc/25/66/95/638256695.db2.gz WFRQVDHQSKLKKO-MRXNPFEDSA-N 0 0 317.458 2.065 10 30 DEEERN C#CCNC(=O)COC(=O)c1sc(C2CCCC2)nc1C ZINC000745608973 638277410 /nfs/dbraw/zinc/27/74/10/638277410.db2.gz FPHGWMHRGJLZKK-UHFFFAOYSA-N 0 0 306.387 2.015 10 30 DEEERN N#Cc1ccsc1C(=O)OCc1nc(-c2ccccn2)no1 ZINC000746073927 638308756 /nfs/dbraw/zinc/30/87/56/638308756.db2.gz VWYAZMBESWQLSH-UHFFFAOYSA-N 0 0 312.310 2.422 10 30 DEEERN N#C[C@H]1CN(Cn2nc(C3CC3)sc2=S)CCN1C1CC1 ZINC000746376064 638338429 /nfs/dbraw/zinc/33/84/29/638338429.db2.gz GNSKCTFHYSLYOL-LBPRGKRZSA-N 0 0 321.475 2.181 10 30 DEEERN COc1ccc(CNC(=O)N[C@H](C)Cc2ccncc2)cc1C#N ZINC000746734375 638373630 /nfs/dbraw/zinc/37/36/30/638373630.db2.gz RNFAQMWNVTUIGD-CYBMUJFWSA-N 0 0 324.384 2.392 10 30 DEEERN C=CCNC(=O)COC(=O)/C=C(/CC)c1ccc(OC)cc1 ZINC000747134004 638411306 /nfs/dbraw/zinc/41/13/06/638411306.db2.gz JQXFCHTZQMQIQX-QBFSEMIESA-N 0 0 303.358 2.334 10 30 DEEERN CCCn1cc(NC(=O)NCc2ccc(OC)c(C#N)c2)cn1 ZINC000747312459 638427584 /nfs/dbraw/zinc/42/75/84/638427584.db2.gz ILRCRYAXBZKLST-UHFFFAOYSA-N 0 0 313.361 2.495 10 30 DEEERN COc1ccc(CNC(=O)N(CCCCO)C2CC2)cc1C#N ZINC000747432471 638437809 /nfs/dbraw/zinc/43/78/09/638437809.db2.gz OPMSYSCGLLLPHC-UHFFFAOYSA-N 0 0 317.389 2.013 10 30 DEEERN COc1ccc(CNC(=O)[C@H](c2ccccc2)N(C)C)cc1C#N ZINC000747445926 638438756 /nfs/dbraw/zinc/43/87/56/638438756.db2.gz ZRSSLXDXBUFSRS-SFHVURJKSA-N 0 0 323.396 2.486 10 30 DEEERN C=C(Br)CN1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000750289995 638731651 /nfs/dbraw/zinc/73/16/51/638731651.db2.gz YJUQTGGPZLZWTD-JTQLQIEISA-N 0 0 314.183 2.229 10 30 DEEERN CC1CCC(NC(=O)COC(=O)Cc2cccc(C#N)c2)CC1 ZINC000750432557 638744910 /nfs/dbraw/zinc/74/49/10/638744910.db2.gz GQKVDQRBTZBYNK-UHFFFAOYSA-N 0 0 314.385 2.339 10 30 DEEERN C#CCN(CC#C)C(=O)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1 ZINC000752150296 639159447 /nfs/dbraw/zinc/15/94/47/639159447.db2.gz JLRPYUPGWLFBIN-UHFFFAOYSA-N 0 0 322.242 2.261 10 30 DEEERN C#CCN(C(=O)C1CN(C(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000752542080 639194479 /nfs/dbraw/zinc/19/44/79/639194479.db2.gz DWCDVJTZPBJVPF-UHFFFAOYSA-N 0 0 306.406 2.258 10 30 DEEERN Cc1cc(N)cc(C)c1C=NNC(=S)NCC(F)(F)F ZINC000752728398 639211571 /nfs/dbraw/zinc/21/15/71/639211571.db2.gz RTBIGBLTBSEAQH-UHFFFAOYSA-N 0 0 304.341 2.246 10 30 DEEERN CCOC(=O)[C@H](CC1CC1)NC(=O)c1ccc(C=NOC)cc1 ZINC000752723579 639211852 /nfs/dbraw/zinc/21/18/52/639211852.db2.gz HDPCEAIFNGNJQI-HNNXBMFYSA-N 0 0 318.373 2.129 10 30 DEEERN C#CCCCS(=O)(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000805031249 639260297 /nfs/dbraw/zinc/26/02/97/639260297.db2.gz YNWRYLBIIUCYOJ-IOASZLSFSA-N 0 0 307.415 2.272 10 30 DEEERN C#Cc1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)cn1 ZINC000728857798 639533310 /nfs/dbraw/zinc/53/33/10/639533310.db2.gz WIBYQPSIALJZHL-UHFFFAOYSA-N 0 0 302.337 2.179 10 30 DEEERN COc1ccc(CNC(=O)N[C@H]2CSC[C@H]2C)cc1C#N ZINC000805223026 640299090 /nfs/dbraw/zinc/29/90/90/640299090.db2.gz UCGYKGRSSKZEPI-MFKMUULPSA-N 0 0 305.403 2.118 10 30 DEEERN COc1ccc(CNC(=O)NC[C@@H]2CCOC[C@@H]2C)cc1C#N ZINC000805224272 640305834 /nfs/dbraw/zinc/30/58/34/640305834.db2.gz UBRAEJBJESQGAE-JSGCOSHPSA-N 0 0 317.389 2.039 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCC[C@@H]1CCOC1 ZINC000805279403 640600237 /nfs/dbraw/zinc/60/02/37/640600237.db2.gz JJXSTVOBISKONX-SJORKVTESA-N 0 0 300.402 2.347 10 30 DEEERN N#Cc1ccc(CNC(=O)c2ccc(Cn3cccn3)o2)c(F)c1 ZINC000729832621 640843941 /nfs/dbraw/zinc/84/39/41/640843941.db2.gz BGLHGSAPWGLLDI-UHFFFAOYSA-N 0 0 324.315 2.465 10 30 DEEERN C#CCC(CC#C)C(=O)OCCOc1ccc(C#N)cc1OC ZINC000805569000 642184614 /nfs/dbraw/zinc/18/46/14/642184614.db2.gz AOMFNFVLBBOTNT-UHFFFAOYSA-N 0 0 311.337 2.152 10 30 DEEERN C#Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(OC)c(OC)c2)nc1 ZINC000730191479 643089703 /nfs/dbraw/zinc/08/97/03/643089703.db2.gz YETRZGHDMUDQOU-ZDUSSCGKSA-N 0 0 324.380 2.441 10 30 DEEERN COC(=O)c1ccoc1C(=O)OCCOc1cccc(C#N)c1 ZINC000800265124 645248475 /nfs/dbraw/zinc/24/84/75/645248475.db2.gz BCCYLVRHXMGCCR-UHFFFAOYSA-N 0 0 315.281 2.174 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800736817 645300815 /nfs/dbraw/zinc/30/08/15/645300815.db2.gz DDRHVZWJWDYOIM-XHDPSFHLSA-N 0 0 308.809 2.291 10 30 DEEERN CC#CC(=O)NCc1nc2cc(Br)ccc2n1CC ZINC000801230564 645356527 /nfs/dbraw/zinc/35/65/27/645356527.db2.gz FQBQERXVMVQTAP-UHFFFAOYSA-N 0 0 320.190 2.458 10 30 DEEERN CCn1c(C2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000801937768 645465478 /nfs/dbraw/zinc/46/54/78/645465478.db2.gz WEOZEILOJZKCAD-HNNXBMFYSA-N 0 0 314.437 2.132 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)c1ncsc1C(F)(F)F ZINC000802251121 645509626 /nfs/dbraw/zinc/50/96/26/645509626.db2.gz SUTLKENFFHVCNG-LURJTMIESA-N 0 0 308.281 2.009 10 30 DEEERN C#Cc1cc(F)c(NC(=O)C(=O)NC(C)(C)C(F)F)c(F)c1 ZINC000802578677 645535584 /nfs/dbraw/zinc/53/55/84/645535584.db2.gz XOZNVCMBWROFKO-UHFFFAOYSA-N 0 0 316.254 2.045 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)OCCCCF)cc2C1=O ZINC000803215578 645618162 /nfs/dbraw/zinc/61/81/62/645618162.db2.gz AOUBIFCYXRQSON-UHFFFAOYSA-N 0 0 305.305 2.375 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000803699419 645681621 /nfs/dbraw/zinc/68/16/21/645681621.db2.gz BUKGRTIEHNTTFR-ZDUSSCGKSA-N 0 0 315.344 2.036 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000803698995 645681836 /nfs/dbraw/zinc/68/18/36/645681836.db2.gz LSWFBEOCGOWSLZ-LLVKDONJSA-N 0 0 318.398 2.293 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N(C(C)C)C1CCCC1 ZINC000803700684 645682542 /nfs/dbraw/zinc/68/25/42/645682542.db2.gz ZABAVPNDWYIPHC-UHFFFAOYSA-N 0 0 303.402 2.372 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)OC[C@H]1CCCO1 ZINC000804452149 645773393 /nfs/dbraw/zinc/77/33/93/645773393.db2.gz DDXIYNURUCTERX-KBAYOESNSA-N 0 0 315.413 2.321 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cc(C(N)=O)cs1 ZINC000804455378 645774275 /nfs/dbraw/zinc/77/42/75/645774275.db2.gz HDOIOIUACZAUGB-CQSZACIVSA-N 0 0 312.394 2.211 10 30 DEEERN C#CC[C@@H](NC(=O)NC[C@@H](CO)c1cccnc1)c1ccccc1 ZINC000807029060 645901696 /nfs/dbraw/zinc/90/16/96/645901696.db2.gz BZTSUAMQUQLULJ-ZWKOTPCHSA-N 0 0 323.396 2.221 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1COC(C)(C)O1 ZINC000807098323 645911232 /nfs/dbraw/zinc/91/12/32/645911232.db2.gz VUAXENLNFPCGOX-HOTGVXAUSA-N 0 0 316.401 2.072 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000807111501 645912904 /nfs/dbraw/zinc/91/29/04/645912904.db2.gz JPNRBSDYSMWDHH-OAHLLOKOSA-N 0 0 305.443 2.210 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@@H](CCC(=O)OCC)C1 ZINC000807137170 645913855 /nfs/dbraw/zinc/91/38/55/645913855.db2.gz GTZAJRDRKSPXCR-HNNXBMFYSA-N 0 0 303.402 2.231 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000807322139 645939125 /nfs/dbraw/zinc/93/91/25/645939125.db2.gz GVRZMJPMAJCUOE-DZGCQCFKSA-N 0 0 315.335 2.249 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000807322141 645939249 /nfs/dbraw/zinc/93/92/49/645939249.db2.gz GVRZMJPMAJCUOE-UKRRQHHQSA-N 0 0 315.335 2.249 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](CC1CCCCC1)C(=O)OC ZINC000807410321 645947154 /nfs/dbraw/zinc/94/71/54/645947154.db2.gz WONWWTXODWREFC-INIZCTEOSA-N 0 0 303.402 2.277 10 30 DEEERN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)c1cccc(C#N)c1 ZINC000913092878 646260895 /nfs/dbraw/zinc/26/08/95/646260895.db2.gz HUIGUQNKQOKJMK-NVXWUHKLSA-N 0 0 324.384 2.169 10 30 DEEERN COC(=O)C[C@@H](C)C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 ZINC000151350919 646346070 /nfs/dbraw/zinc/34/60/70/646346070.db2.gz GFOUZFHWRVTBRX-DGCLKSJQSA-N 0 0 307.321 2.250 10 30 DEEERN N#Cc1cccnc1NCCOC(=O)CSCC(F)(F)F ZINC000156526805 646428651 /nfs/dbraw/zinc/42/86/51/646428651.db2.gz ZCJVNIVOYATALH-UHFFFAOYSA-N 0 0 319.308 2.204 10 30 DEEERN C#CCCCNC(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000174090088 646790385 /nfs/dbraw/zinc/79/03/85/646790385.db2.gz UVFJWOQTIVCPGW-ZDUSSCGKSA-N 0 0 309.410 2.099 10 30 DEEERN C#CCN(CC#C)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000174527617 646813051 /nfs/dbraw/zinc/81/30/51/646813051.db2.gz JLLAMOULFGSBEJ-HNNXBMFYSA-N 0 0 312.438 2.472 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)[C@H]1C[C@@H]1c1cccc(OC)c1 ZINC000730347904 646958776 /nfs/dbraw/zinc/95/87/76/646958776.db2.gz JFMMLDDENHJKJW-GLQYFDAESA-N 0 0 303.358 2.033 10 30 DEEERN N#CCC1(COC(=O)CN2C(=O)CSc3ccccc32)CC1 ZINC000174756018 647313014 /nfs/dbraw/zinc/31/30/14/647313014.db2.gz MVNSJQSOZOPKJM-UHFFFAOYSA-N 0 0 316.382 2.362 10 30 DEEERN CC(C)(C)OC(=O)NCCCCCC(=O)N[C@H](C#N)C1CC1 ZINC000153155760 647361911 /nfs/dbraw/zinc/36/19/11/647361911.db2.gz UBOAHAAFOWLEQM-CYBMUJFWSA-N 0 0 309.410 2.490 10 30 DEEERN C#CCOc1cccc(OC(=O)c2ccc(-n3cncn3)cc2)c1 ZINC000730697076 647381253 /nfs/dbraw/zinc/38/12/53/647381253.db2.gz YKLFPHYXJFNBJM-UHFFFAOYSA-N 0 0 319.320 2.499 10 30 DEEERN C=CCN(CCN1CCOC1=O)Cc1cccc([N+](=O)[O-])c1 ZINC000731104423 647447025 /nfs/dbraw/zinc/44/70/25/647447025.db2.gz ZIKDPVJFEDMBQP-UHFFFAOYSA-N 0 0 305.334 2.035 10 30 DEEERN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1(C)C ZINC000732651992 647637254 /nfs/dbraw/zinc/63/72/54/647637254.db2.gz LWBKQVJHBFFNJM-XHSDSOJGSA-N 0 0 301.434 2.424 10 30 DEEERN N#C[C@@H]1CN(Cn2ccc(-c3ccccc3)n2)CCN1C1CC1 ZINC000732666152 647638173 /nfs/dbraw/zinc/63/81/73/647638173.db2.gz JGFXCSGOEXALPQ-QGZVFWFLSA-N 0 0 307.401 2.180 10 30 DEEERN CC(C)c1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(O)c1 ZINC000732679324 647641452 /nfs/dbraw/zinc/64/14/52/647641452.db2.gz YABLLZAQCGMQQC-OAHLLOKOSA-N 0 0 313.401 2.328 10 30 DEEERN C[C@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000732700972 647643452 /nfs/dbraw/zinc/64/34/52/647643452.db2.gz NDINUHKZGPMZQD-RHSMWYFYSA-N 0 0 312.417 2.172 10 30 DEEERN C[C@@H](NC(=O)C#Cc1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000153935767 647856784 /nfs/dbraw/zinc/85/67/84/647856784.db2.gz VYCRFPJSJCHAKX-OAHLLOKOSA-N 0 0 316.364 2.496 10 30 DEEERN C#CCCCCCOC(=O)CCS(=O)(=O)C1CCCC1 ZINC000180351696 648485773 /nfs/dbraw/zinc/48/57/73/648485773.db2.gz JZOVSGSOKUDMRR-UHFFFAOYSA-N 0 0 300.420 2.471 10 30 DEEERN N#CCOc1ccc(CNC(=O)NCc2cscn2)cc1 ZINC000069306864 648582507 /nfs/dbraw/zinc/58/25/07/648582507.db2.gz XGXVCALQFLVQDF-UHFFFAOYSA-N 0 0 302.359 2.045 10 30 DEEERN C=CCC[C@H](C)OC(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000181778872 648748937 /nfs/dbraw/zinc/74/89/37/648748937.db2.gz UJMNUXXCBOLWIR-NSHDSACASA-N 0 0 302.334 2.182 10 30 DEEERN O=C(OCC#Cc1ccccc1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000183529893 649102062 /nfs/dbraw/zinc/10/20/62/649102062.db2.gz WYOGYMMFBFPDMF-QGZVFWFLSA-N 0 0 323.348 2.458 10 30 DEEERN C=CCS(=O)(=O)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000071552889 649133781 /nfs/dbraw/zinc/13/37/81/649133781.db2.gz GJAPDZLIBQFISO-CQSZACIVSA-N 0 0 309.431 2.413 10 30 DEEERN C#CCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000733247592 649463748 /nfs/dbraw/zinc/46/37/48/649463748.db2.gz UKPLUPBICWGJBI-UHFFFAOYSA-N 0 0 317.366 2.007 10 30 DEEERN C#CCCNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000733287819 649537336 /nfs/dbraw/zinc/53/73/36/649537336.db2.gz UNHCDJXVIXLOIR-UHFFFAOYSA-N 0 0 319.158 2.044 10 30 DEEERN C#CCCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000733287830 649537351 /nfs/dbraw/zinc/53/73/51/649537351.db2.gz RIKAWROFPVLDDS-SSZFMOIBSA-N 0 0 308.337 2.190 10 30 DEEERN C#CCCNc1cnn(-c2nc3ccccc3[nH]2)c(=O)c1Cl ZINC000733302855 649537564 /nfs/dbraw/zinc/53/75/64/649537564.db2.gz UETGCBYXLWKOQJ-UHFFFAOYSA-N 0 0 313.748 2.197 10 30 DEEERN C#CCCNC(=O)NCc1cc(OC)ccc1Br ZINC000733339600 649550136 /nfs/dbraw/zinc/55/01/36/649550136.db2.gz NTSWHJOWRMPIRE-UHFFFAOYSA-N 0 0 311.179 2.280 10 30 DEEERN C#CCCNC(=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000733340698 649550300 /nfs/dbraw/zinc/55/03/00/649550300.db2.gz NQXPPSIJYKUPNJ-UHFFFAOYSA-N 0 0 322.368 2.156 10 30 DEEERN C#CCCNC(=O)N1CCC(Oc2ccc(OC)cc2)CC1 ZINC000733355823 649553384 /nfs/dbraw/zinc/55/33/84/649553384.db2.gz JEPZIVFUQGGVTA-UHFFFAOYSA-N 0 0 302.374 2.271 10 30 DEEERN C#CCCNC(=O)N1CCC(OCCc2ccccc2)CC1 ZINC000733356877 649553937 /nfs/dbraw/zinc/55/39/37/649553937.db2.gz WZCAPUBKNRCZBA-UHFFFAOYSA-N 0 0 300.402 2.443 10 30 DEEERN O=C(OCC#Cc1ccccc1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000105761370 651206160 /nfs/dbraw/zinc/20/61/60/651206160.db2.gz ZMMPSJIFEWUQQV-KRWDZBQOSA-N 0 0 311.381 2.230 10 30 DEEERN C[C@@H](NC(=O)c1ccco1)C(=O)[C@@H](C#N)c1nc2ccccc2o1 ZINC000041546649 683891779 /nfs/dbraw/zinc/89/17/79/683891779.db2.gz NWBPYCXWEQZRSM-GHMZBOCLSA-N 0 0 323.308 2.416 10 30 DEEERN C=CCOC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC000078341290 683961006 /nfs/dbraw/zinc/96/10/06/683961006.db2.gz RSMLTOMOXZMYEJ-SNVBAGLBSA-N 0 0 309.749 2.431 10 30 DEEERN C#CC[C@H](OC(=O)c1ccc(OCCCOC)nc1)C1CC1 ZINC000079211019 683971115 /nfs/dbraw/zinc/97/11/15/683971115.db2.gz VXQKGPWOXNDGAU-HNNXBMFYSA-N 0 0 303.358 2.456 10 30 DEEERN C=CCOc1ccc(OC(=O)C2CCN(C(C)=O)CC2)cc1 ZINC000081323975 683989790 /nfs/dbraw/zinc/98/97/90/683989790.db2.gz UBYUVNKZGPYULT-UHFFFAOYSA-N 0 0 303.358 2.415 10 30 DEEERN C=CCC[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000089319086 684022010 /nfs/dbraw/zinc/02/20/10/684022010.db2.gz KYJIRRVOCUGGBJ-DCGLDWPTSA-N 0 0 322.405 2.385 10 30 DEEERN CC(C)C[C@@H](C)OCCC(=O)C(C#N)=C([O-])c1nccn1C ZINC000122626290 684117470 /nfs/dbraw/zinc/11/74/70/684117470.db2.gz RBDOMJQWICBXES-OLZOCXBDSA-N 0 0 305.378 2.153 10 30 DEEERN N#C[C@H](NC(=O)c1ccc(-n2cnc3ccccc32)nc1)C1CC1 ZINC000129464437 684179688 /nfs/dbraw/zinc/17/96/88/684179688.db2.gz YOURUTDLZRKRPK-HNNXBMFYSA-N 0 0 317.352 2.452 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)c1c[nH]c(=O)cc1C ZINC000131765065 684201975 /nfs/dbraw/zinc/20/19/75/684201975.db2.gz AWBAVKLIULRGJU-UHFFFAOYSA-N 0 0 300.289 2.087 10 30 DEEERN C=CCOc1cccc(NC(=O)[C@@H]2CSCN2C(C)=O)c1 ZINC000132843738 684214008 /nfs/dbraw/zinc/21/40/08/684214008.db2.gz CRNVQMRHSANHHO-AWEZNQCLSA-N 0 0 306.387 2.111 10 30 DEEERN CCCC[C@H](NC(=O)NCC)C(=O)[C@H](C#N)c1ccccn1 ZINC000155961794 684282520 /nfs/dbraw/zinc/28/25/20/684282520.db2.gz XXUONADPVSWUHG-OCCSQVGLSA-N 0 0 302.378 2.136 10 30 DEEERN C#CCCCCNC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000155954163 684282655 /nfs/dbraw/zinc/28/26/55/684282655.db2.gz OHCLOXHYTIBZFF-KRWDZBQOSA-N 0 0 316.401 2.182 10 30 DEEERN N#Cc1cccc(S(=O)(=O)CCSC[C@H]2CCCO2)c1 ZINC000179084927 684334009 /nfs/dbraw/zinc/33/40/09/684334009.db2.gz FZVMPGHSVAIMHI-CYBMUJFWSA-N 0 0 311.428 2.244 10 30 DEEERN CC1(C)CC[C@H](CNC(=O)Cc2cccc(OCC#N)c2)O1 ZINC000187301372 684334893 /nfs/dbraw/zinc/33/48/93/684334893.db2.gz NKEKSQBEOKAKKR-OAHLLOKOSA-N 0 0 302.374 2.205 10 30 DEEERN C=C[C@@](C)(CCOC)COC(=O)CCn1c(C)csc1=O ZINC000191153222 684422119 /nfs/dbraw/zinc/42/21/19/684422119.db2.gz HBNWTIWVODRGQD-HNNXBMFYSA-N 0 0 313.419 2.380 10 30 DEEERN C=CCC[C@H](C)OC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000246271481 685127290 /nfs/dbraw/zinc/12/72/90/685127290.db2.gz ARPACAGQIMHQIJ-NOLJZWGESA-N 0 0 319.405 2.228 10 30 DEEERN CC(=O)N1CCO[C@H]2CCN(c3ccc(Cl)cc3C#N)C[C@@H]21 ZINC000886034137 691989212 /nfs/dbraw/zinc/98/92/12/691989212.db2.gz UMAIDTABHINZPS-HOTGVXAUSA-N 0 0 319.792 2.038 10 30 DEEERN CCn1cc([C@@H]2OCCC[C@H]2CNc2nccnc2C#N)cn1 ZINC000886088835 692000625 /nfs/dbraw/zinc/00/06/25/692000625.db2.gz YANDHTIIPZDRKN-SWLSCSKDSA-N 0 0 312.377 2.144 10 30 DEEERN CC(=O)c1ccc(O)c(CCOC(=O)c2ccc(C#N)nc2)c1 ZINC000745042113 784660624 /nfs/dbraw/zinc/66/06/24/784660624.db2.gz PMPIOPNAEJWXOJ-UHFFFAOYSA-N 0 0 310.309 2.261 10 30 DEEERN COCCC1(C(=O)NCc2ccc(OC)c(C#N)c2)CCC1 ZINC000746922341 786542407 /nfs/dbraw/zinc/54/24/07/786542407.db2.gz HJBUQSDCKAXDRG-UHFFFAOYSA-N 0 0 302.374 2.390 10 30 DEEERN CC[C@@H](C[C@H](C)O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000716954233 797949076 /nfs/dbraw/zinc/94/90/76/797949076.db2.gz OUJHYKXPVCDTGN-ONGXEEELSA-N 0 0 316.810 2.039 10 30 DEEERN CC#CC[C@@H](CO)NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000717738609 799430428 /nfs/dbraw/zinc/43/04/28/799430428.db2.gz DVVFLESHHSLQFF-CMUBDUJZSA-N 0 0 313.806 2.004 10 30 DEEERN N#Cc1cc(Cl)nc(N2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000710368638 1081034134 /nfs/dbraw/zinc/03/41/34/1081034134.db2.gz IXPIVKWWMWLICS-DTWKUNHWSA-N 0 0 305.687 2.214 10 30 DEEERN CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)OCC(C)(C)C#N ZINC000588418955 1082334846 /nfs/dbraw/zinc/33/48/46/1082334846.db2.gz AEUKZKFEGZOASL-DSDFTUOUSA-N 0 0 310.419 2.337 10 30 DEEERN C#CC1(O)CCN(C(=O)c2cc(C)cc(Br)c2)CC1 ZINC000708136344 1086676785 /nfs/dbraw/zinc/67/67/85/1086676785.db2.gz FFULEYNXXKWWBS-UHFFFAOYSA-N 0 0 322.202 2.358 10 30 DEEERN CS[C@H]1CC[C@@H](NS(=O)(=O)c2cc(F)cc(C#N)c2)C1 ZINC000720036966 1089429205 /nfs/dbraw/zinc/42/92/05/1089429205.db2.gz JSCWOSDCGVMYQB-NEPJUHHUSA-N 0 0 314.407 2.260 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)[C@H]1COCCN1CC(F)(F)F ZINC000355790577 1138321021 /nfs/dbraw/zinc/32/10/21/1138321021.db2.gz ZQKDDCSNSFJXNM-VXGBXAGGSA-N 0 0 308.344 2.111 10 30 DEEERN C=CCNC(=O)c1cc(-c2cc(OC)ccc2OC)n(C)n1 ZINC000074621045 185003462 /nfs/dbraw/zinc/00/34/62/185003462.db2.gz WBPGQOUNRSKCMH-UHFFFAOYSA-N 0 0 301.346 2.020 10 30 DEEERN CO[C@H](CNC(=O)NCCOc1ccc(C#N)cc1)C(C)(C)C ZINC000074736891 185015575 /nfs/dbraw/zinc/01/55/75/185015575.db2.gz XSVUQBZDBOZJDI-OAHLLOKOSA-N 0 0 319.405 2.297 10 30 DEEERN C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[C@@H](CO)C[C@H]1C ZINC000624843425 365568458 /nfs/dbraw/zinc/56/84/58/365568458.db2.gz OPEKRXZCHDSIHI-KBUPBQIOSA-N 0 0 320.437 2.301 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000612320620 361792494 /nfs/dbraw/zinc/79/24/94/361792494.db2.gz UQUGESXIVHYXDJ-GJZGRUSLSA-N 0 0 322.430 2.119 10 30 DEEERN C=CCN(C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1)C(C)C ZINC000162434132 197566779 /nfs/dbraw/zinc/56/67/79/197566779.db2.gz RDPYBLPOEGAYAM-UHFFFAOYSA-N 0 0 316.810 2.024 10 30 DEEERN C=C1CCN(c2nnc(-c3cn[nH]c3)n2C[C@@H]2CCCO2)CC1 ZINC000625099041 365642579 /nfs/dbraw/zinc/64/25/79/365642579.db2.gz REHAGULCUJTCLL-AWEZNQCLSA-N 0 0 314.393 2.004 10 30 DEEERN N#Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000163049648 197609223 /nfs/dbraw/zinc/60/92/23/197609223.db2.gz KMWBOIRYYFAYAI-MWLCHTKSSA-N 0 0 320.780 2.377 10 30 DEEERN N#Cc1ccc(S(=O)(=O)CCSc2ncccc2N)cc1 ZINC000163303855 197622305 /nfs/dbraw/zinc/62/23/05/197622305.db2.gz CKRPGULCELKHGU-UHFFFAOYSA-N 0 0 319.411 2.101 10 30 DEEERN COc1cccc(N2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC000181273995 199274403 /nfs/dbraw/zinc/27/44/03/199274403.db2.gz AQHQDIMHXYNERZ-ZDUSSCGKSA-N 0 0 324.384 2.151 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000612569767 361863373 /nfs/dbraw/zinc/86/33/73/361863373.db2.gz LNCAUMFTXUZWFH-ZJPYXAASSA-N 0 0 312.413 2.159 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCc2ccc(F)c(F)c2C1 ZINC000612606316 361871814 /nfs/dbraw/zinc/87/18/14/361871814.db2.gz HROYRDSTUOMHPP-HNNXBMFYSA-N 0 0 322.355 2.320 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cnn(CCCC)c1C ZINC000612716785 361900130 /nfs/dbraw/zinc/90/01/30/361900130.db2.gz RNFCOWOSRVYRLM-CQSZACIVSA-N 0 0 306.410 2.401 10 30 DEEERN C[C@H]1CC[S@@](=O)CCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000407953837 290642694 /nfs/dbraw/zinc/64/26/94/290642694.db2.gz MTFMSNXWLTUNHJ-JLTPVHFHSA-N 0 0 317.336 2.319 10 30 DEEERN COc1ccc([C@@H](C#N)N2CCN(C)CC2)c(Cl)c1OC ZINC000088044864 185237991 /nfs/dbraw/zinc/23/79/91/185237991.db2.gz AKIUJIOXHGYFFY-GFCCVEGCSA-N 0 0 309.797 2.169 10 30 DEEERN Cc1cc(C#N)cc(C)c1OC[C@H](CS(N)(=O)=O)C(C)C ZINC000088163558 185240534 /nfs/dbraw/zinc/24/05/34/185240534.db2.gz QTBITOFXSOTCMK-CQSZACIVSA-N 0 0 310.419 2.115 10 30 DEEERN Cc1c(C#CCO)cccc1C(=O)N[C@H](C)c1nccs1 ZINC000088443552 185251101 /nfs/dbraw/zinc/25/11/01/185251101.db2.gz PBLSGMJCAIRPII-GFCCVEGCSA-N 0 0 300.383 2.286 10 30 DEEERN CN(CCC#N)C(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000090029436 185278809 /nfs/dbraw/zinc/27/88/09/185278809.db2.gz REPVWLDFTGSBKP-UHFFFAOYSA-N 0 0 308.328 2.385 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCO[C@H](CC(C)C)C1 ZINC000613291146 362071152 /nfs/dbraw/zinc/07/11/52/362071152.db2.gz KISOUTGKNYWQQX-XHSDSOJGSA-N 0 0 310.438 2.167 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCO[C@@H](CC(C)C)C1 ZINC000613291143 362071216 /nfs/dbraw/zinc/07/12/16/362071216.db2.gz KISOUTGKNYWQQX-JYJNAYRXSA-N 0 0 310.438 2.167 10 30 DEEERN C=C[C@@H](O)C(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000613388283 362098238 /nfs/dbraw/zinc/09/82/38/362098238.db2.gz UAKCIYRFSAXKLO-OLZOCXBDSA-N 0 0 315.291 2.152 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cccc(NC(C)=O)c1 ZINC000278207142 214023947 /nfs/dbraw/zinc/02/39/47/214023947.db2.gz GTHGTBBNQNPCIA-HZPDHXFCSA-N 0 0 302.374 2.242 10 30 DEEERN CCNC(=O)N1CC[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613428920 362109936 /nfs/dbraw/zinc/10/99/36/362109936.db2.gz CKCGYBGACRDNQK-CYBMUJFWSA-N 0 0 315.421 2.466 10 30 DEEERN CC(=O)Nc1cccc(OCC#CCNC(=O)C2CCCC2)c1 ZINC000090731963 185311751 /nfs/dbraw/zinc/31/17/51/185311751.db2.gz GWAKRAFHIAVSPG-UHFFFAOYSA-N 0 0 314.385 2.334 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNc1cccc(F)c1 ZINC000613466760 362121000 /nfs/dbraw/zinc/12/10/00/362121000.db2.gz BAMASUBPVGRJSV-INIZCTEOSA-N 0 0 321.396 2.215 10 30 DEEERN C#CC[N@@H+](CC(=O)[O-])[C@H]1CCc2cc(Br)ccc2C1 ZINC000092491258 185322060 /nfs/dbraw/zinc/32/20/60/185322060.db2.gz JRGFHIAAZAFIOY-AWEZNQCLSA-N 0 0 322.202 2.326 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)CCc2ccc3c(c2)CCO3)C1 ZINC000625354187 365743390 /nfs/dbraw/zinc/74/33/90/365743390.db2.gz IAGPJNXWFIHNJK-HNNXBMFYSA-N 0 0 321.442 2.392 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC000625355058 365743818 /nfs/dbraw/zinc/74/38/18/365743818.db2.gz NZYIXYMAPKSNNF-SNVBAGLBSA-N 0 0 323.340 2.032 10 30 DEEERN C[C@H]1OCC[C@H]1NC(=O)N1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000330252079 300622904 /nfs/dbraw/zinc/62/29/04/300622904.db2.gz IERCNEJZBZHRHR-OPRDCNLKSA-N 0 0 310.316 2.120 10 30 DEEERN CCc1nc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)sc1C ZINC000377923982 529743376 /nfs/dbraw/zinc/74/33/76/529743376.db2.gz YYZQJMNWWURBLC-LBPRGKRZSA-N 0 0 319.434 2.218 10 30 DEEERN CCc1nc2n(n1)C[C@@H](Nc1cc(C(C)=O)ccc1C#N)CC2 ZINC000302112407 529751040 /nfs/dbraw/zinc/75/10/40/529751040.db2.gz QALZGBXSIUWHBH-AWEZNQCLSA-N 0 0 309.373 2.342 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)Cc1cnc(C)s1 ZINC000625421522 365776929 /nfs/dbraw/zinc/77/69/29/365776929.db2.gz ANDNTGFZNYZJIM-UHFFFAOYSA-N 0 0 309.435 2.128 10 30 DEEERN CN1CC[C@H](NC(=O)CSCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000245824864 529805409 /nfs/dbraw/zinc/80/54/09/529805409.db2.gz FLACHQGIWCYHCR-DZGCQCFKSA-N 0 0 323.849 2.458 10 30 DEEERN CN(C)c1ncc(CNC(=O)C[C@H]2CCCCC(=O)N2)n1C ZINC000328770188 529806049 /nfs/dbraw/zinc/80/60/49/529806049.db2.gz GQXJLKXZYAWNAQ-LLVKDONJSA-N 0 0 307.398 2.232 10 30 DEEERN Cc1cc(C(=O)Nc2nc3c(cc2C#N)CCCC3)c(C)nn1 ZINC000614299160 362342760 /nfs/dbraw/zinc/34/27/60/362342760.db2.gz XMHHXCDADQSRLP-UHFFFAOYSA-N 0 0 307.357 2.491 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ncnc2sccc21 ZINC000614371856 362364709 /nfs/dbraw/zinc/36/47/09/362364709.db2.gz BGGUQANYXHVHLC-GWCFXTLKSA-N 0 0 303.387 2.402 10 30 DEEERN C=Cc1ccc(CCNC(=O)[C@H](CC(=C)C)NC(C)=O)cc1 ZINC000615100593 362532966 /nfs/dbraw/zinc/53/29/66/362532966.db2.gz PZUDZSXSHFNMPT-KRWDZBQOSA-N 0 0 300.402 2.459 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C)c2nccn2c1 ZINC000615349923 362591202 /nfs/dbraw/zinc/59/12/02/362591202.db2.gz SBWVBTFIEYTXKP-AWEZNQCLSA-N 0 0 300.362 2.052 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CCO[C@H](C(C)C)C1 ZINC000615838555 362712753 /nfs/dbraw/zinc/71/27/53/362712753.db2.gz IDPJBJGNVFZTBB-JYJNAYRXSA-N 0 0 310.438 2.025 10 30 DEEERN N#Cc1cccc(OCCCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000123660161 185830768 /nfs/dbraw/zinc/83/07/68/185830768.db2.gz FBCLOVMCXZZGCG-HOTGVXAUSA-N 0 0 310.353 2.278 10 30 DEEERN Cc1nnc(NC(=O)c2cc(C#CCCO)ccc2C)s1 ZINC000123702644 185834445 /nfs/dbraw/zinc/83/44/45/185834445.db2.gz LOAIMFQPVLGDFE-UHFFFAOYSA-N 0 0 301.371 2.141 10 30 DEEERN C[C@H](C#N)N1CCN(C(=O)c2cc3c(s2)CCSC3)CC1 ZINC000123830268 185846425 /nfs/dbraw/zinc/84/64/25/185846425.db2.gz OBYHPPNKMOMEOG-LLVKDONJSA-N 0 0 321.471 2.207 10 30 DEEERN N#Cc1nccn1CC(=O)Nc1ccc(Br)cc1F ZINC000123960769 185861561 /nfs/dbraw/zinc/86/15/61/185861561.db2.gz QYDKMQPTURLEEU-UHFFFAOYSA-N 0 0 323.125 2.295 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@H](C)OC2(CCCC2)C1 ZINC000616504967 362875799 /nfs/dbraw/zinc/87/57/99/362875799.db2.gz DJVJOJSUXWVTAH-DZGCQCFKSA-N 0 0 308.422 2.017 10 30 DEEERN CN(C)c1cccc2c1C(=O)N(CCCn1ccnc1)[C@@H]2C#N ZINC000071679336 191005728 /nfs/dbraw/zinc/00/57/28/191005728.db2.gz WLGPZJXKMZZVGG-OAHLLOKOSA-N 0 0 309.373 2.060 10 30 DEEERN COC(CN1C(=O)c2ccc(C(F)(F)F)cc2C1C#N)OC ZINC000071680973 191006482 /nfs/dbraw/zinc/00/64/82/191006482.db2.gz KPGLWSYWHLCQFX-NSHDSACASA-N 0 0 314.263 2.345 10 30 DEEERN C#CCn1ncc(NCC2CCCC2)c(Br)c1=O ZINC000133609106 185999158 /nfs/dbraw/zinc/99/91/58/185999158.db2.gz JAFRADUHBFMLLV-UHFFFAOYSA-N 0 0 310.195 2.241 10 30 DEEERN Cc1ccc(C(=O)NCc2sccc2C#CCO)cc1O ZINC000148562954 186044913 /nfs/dbraw/zinc/04/49/13/186044913.db2.gz SKJAJJLZLAEDBM-UHFFFAOYSA-N 0 0 301.367 2.036 10 30 DEEERN CC[C@@H](C#N)N1CCN(c2cc(Cl)nnc2Cl)CC1 ZINC000149192721 186048294 /nfs/dbraw/zinc/04/82/94/186048294.db2.gz IUPTUCFKIVTQRU-VIFPVBQESA-N 0 0 300.193 2.208 10 30 DEEERN COC(=O)Cn1cc(C#N)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000072236992 191080423 /nfs/dbraw/zinc/08/04/23/191080423.db2.gz BPLCSMPSMGMPND-UHFFFAOYSA-N 0 0 310.231 2.065 10 30 DEEERN Cc1cc(F)cc2c(=O)c(C#N)cn(CC(=O)OC(C)C)c12 ZINC000072237077 191080785 /nfs/dbraw/zinc/08/07/85/191080785.db2.gz KRMYLXSUMYUSHI-UHFFFAOYSA-N 0 0 302.305 2.272 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)c1c(C)nn(C)c1C ZINC000617038586 363006704 /nfs/dbraw/zinc/00/67/04/363006704.db2.gz ZCZTXKIKPAGYCJ-KGLIPLIRSA-N 0 0 303.406 2.471 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)NC)nc1 ZINC000617040683 363006789 /nfs/dbraw/zinc/00/67/89/363006789.db2.gz XNWPXHGIUFRZEZ-JSGCOSHPSA-N 0 0 301.390 2.306 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cn1c(C)cc(O)cc1=O ZINC000617040438 363007047 /nfs/dbraw/zinc/00/70/47/363007047.db2.gz UHSPHPQSUUSOJE-UKRRQHHQSA-N 0 0 304.390 2.113 10 30 DEEERN C=CCOCCCC(=O)NCc1cnc(C(F)(F)F)nc1 ZINC000617223856 363057268 /nfs/dbraw/zinc/05/72/68/363057268.db2.gz RJDAUGBXXSCQDV-UHFFFAOYSA-N 0 0 303.284 2.094 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@H](CO)C2CCC2)cc1OC ZINC000617301656 363083016 /nfs/dbraw/zinc/08/30/16/363083016.db2.gz YMJSBLJKOJFHTB-CQSZACIVSA-N 0 0 305.374 2.151 10 30 DEEERN N#Cc1ccc(CNC(=O)c2cccc(-n3cncn3)c2)c(F)c1 ZINC000172216883 198059145 /nfs/dbraw/zinc/05/91/45/198059145.db2.gz KOQTZUUNHLNVKB-UHFFFAOYSA-N 0 0 321.315 2.208 10 30 DEEERN Cn1cc([C@@H]2CCN(C(=O)/C=C/c3ccccc3C#N)C2)cn1 ZINC000172262154 198067445 /nfs/dbraw/zinc/06/74/45/198067445.db2.gz WRSYBADPXQJVON-FYCOFBDGSA-N 0 0 306.369 2.321 10 30 DEEERN C=CCCC1(CNC(=O)[C@H]2CCCN(C(N)=O)C2)CCCC1 ZINC000617416100 363127703 /nfs/dbraw/zinc/12/77/03/363127703.db2.gz BGZPAZJRONVESD-AWEZNQCLSA-N 0 0 307.438 2.420 10 30 DEEERN C=CCCC1(CNC(=O)[C@H](CCC)S(N)(=O)=O)CCCC1 ZINC000617418095 363129030 /nfs/dbraw/zinc/12/90/30/363129030.db2.gz RTCPIICLKGMIQJ-ZDUSSCGKSA-N 0 0 316.467 2.086 10 30 DEEERN C=CCCC1(CNC(=O)[C@@H]2CCc3nnnn3CC2)CCCC1 ZINC000617419058 363129068 /nfs/dbraw/zinc/12/90/68/363129068.db2.gz VKSZHBDJVPSCPV-CQSZACIVSA-N 0 0 317.437 2.268 10 30 DEEERN CO[C@H]1C[C@@H](C(=O)Nc2ccc(N3CCCCC3)cn2)N(C)C1 ZINC000328927531 539912228 /nfs/dbraw/zinc/91/22/28/539912228.db2.gz FXTRSBSNDOPMJE-GJZGRUSLSA-N 0 0 318.421 2.379 10 30 DEEERN C=CCN(C(=O)CCc1ccc2c(c1)OCCO2)[C@@H](C)COC ZINC000617576275 363194136 /nfs/dbraw/zinc/19/41/36/363194136.db2.gz PUGQPAYLOWNUKC-AWEZNQCLSA-N 0 0 319.401 2.440 10 30 DEEERN Cc1cc(C)c(CNC(=O)CN2C(=O)NC(=O)C2(C)C)c(=O)[nH]1 ZINC000329757367 539928937 /nfs/dbraw/zinc/92/89/37/539928937.db2.gz MWVKWGNAYOMGEA-UHFFFAOYSA-N 0 0 320.349 2.031 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)c2cnc3ccc(OC)nn32)C1 ZINC000617779404 363261834 /nfs/dbraw/zinc/26/18/34/363261834.db2.gz ZZFOTLQSIFISFT-GFCCVEGCSA-N 0 0 300.362 2.166 10 30 DEEERN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC/C=C\C)cc1 ZINC000626290607 366136566 /nfs/dbraw/zinc/13/65/66/366136566.db2.gz VVJYBBGFYZZLRN-XQRVVYSFSA-N 0 0 323.418 2.191 10 30 DEEERN Cc1ccc(S(=O)(=O)O[C@H]2C[C@H]3C[C@@H]2[C@H]([N+](=O)[O-])C3)cc1 ZINC000004368277 181103038 /nfs/dbraw/zinc/10/30/38/181103038.db2.gz DBUTUPHCSIRUQR-ASEORRQLSA-N 0 0 311.359 2.144 10 30 DEEERN Cc1ccc(S(=O)(=O)OC[C@H]2C[C@H]3CC[C@@H]2[C@H](O)C3)cc1 ZINC000004368187 181103401 /nfs/dbraw/zinc/10/34/01/181103401.db2.gz VCJFSTFQGVERGM-LUYZLQTOSA-N 0 0 310.415 2.497 10 30 DEEERN C=CCN(CC=C)C(=O)c1ccc2c(c1)C(=O)N(CC=C)C2=O ZINC000072776933 354919924 /nfs/dbraw/zinc/91/99/24/354919924.db2.gz DQNPBUVDYQQFHM-UHFFFAOYSA-N 0 0 310.353 2.283 10 30 DEEERN Cc1cc(NC(=O)c2cccc(C#N)c2)c2c(c1)NC(=O)CO2 ZINC000074839779 191370450 /nfs/dbraw/zinc/37/04/50/191370450.db2.gz LGCSLQRPJKCVAQ-UHFFFAOYSA-N 0 0 307.309 2.450 10 30 DEEERN N#Cc1ccc(CNC(=O)[C@@H]2CCCN2c2nccs2)cc1 ZINC000075561487 191492336 /nfs/dbraw/zinc/49/23/36/191492336.db2.gz RJYCDMBGXXOBNZ-AWEZNQCLSA-N 0 0 312.398 2.300 10 30 DEEERN C=C(C)CCNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000453879790 540195634 /nfs/dbraw/zinc/19/56/34/540195634.db2.gz PFAIUFSWXXCXMP-UHFFFAOYSA-N 0 0 307.297 2.183 10 30 DEEERN N#C[C@@H]1CN(C(=O)NCc2ccccc2OC2CCC2)CCO1 ZINC000118586924 355780427 /nfs/dbraw/zinc/78/04/27/355780427.db2.gz MIWYGQNCMDJEJC-OAHLLOKOSA-N 0 0 315.373 2.052 10 30 DEEERN C=CCCOCC(=O)NC1CCN(c2ccccc2OC)CC1 ZINC000138585575 355872386 /nfs/dbraw/zinc/87/23/86/355872386.db2.gz TUBKRBGMBDCVTK-UHFFFAOYSA-N 0 0 318.417 2.373 10 30 DEEERN C[C@H](CNc1ccc2c(C#N)nccc2c1)COS(C)(=O)=O ZINC000143436679 355899121 /nfs/dbraw/zinc/89/91/21/355899121.db2.gz RUDUNHAFOKIGEN-LLVKDONJSA-N 0 0 319.386 2.131 10 30 DEEERN CC(C)CS(=O)(=O)N[C@@H](C)c1cccc(C#CCCO)c1 ZINC000080192700 192011472 /nfs/dbraw/zinc/01/14/72/192011472.db2.gz XSCOMNMFMSDIDI-AWEZNQCLSA-N 0 0 309.431 2.057 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000183335221 356167982 /nfs/dbraw/zinc/16/79/82/356167982.db2.gz MFVMYDSIWKRCFB-KRWDZBQOSA-N 0 0 323.396 2.371 10 30 DEEERN Cc1nc(C2CCCC2)sc1C(=O)N1CCO[C@@H](C#N)C1 ZINC000080081021 192000043 /nfs/dbraw/zinc/00/00/43/192000043.db2.gz ZJKOHYNOKHQBJP-LBPRGKRZSA-N 0 0 305.403 2.474 10 30 DEEERN COc1ccc(C(=O)NCC(=O)Nc2cc(C#N)ccc2C)cc1 ZINC000195267636 356252603 /nfs/dbraw/zinc/25/26/03/356252603.db2.gz IEEBSZMYHCRGKN-UHFFFAOYSA-N 0 0 323.352 2.244 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000081012739 192214232 /nfs/dbraw/zinc/21/42/32/192214232.db2.gz LIXMIFUQEFIOBY-UHFFFAOYSA-N 0 0 323.396 2.375 10 30 DEEERN COC(=O)c1c(F)c(I)ccc1C#N ZINC000307033402 356406985 /nfs/dbraw/zinc/40/69/85/356406985.db2.gz SRJHVYUPVZKRND-UHFFFAOYSA-N 0 0 305.046 2.089 10 30 DEEERN Cc1cc(N2CC[C@@H](N(C)Cc3ncccn3)C2)c(C#N)c(C)n1 ZINC000328623611 356463096 /nfs/dbraw/zinc/46/30/96/356463096.db2.gz BYQYBSCDRBNAAU-OAHLLOKOSA-N 0 0 322.416 2.071 10 30 DEEERN C=CCN(CCOC)C(=O)c1cc(C)n(-c2cnccn2)c1C ZINC000626638653 366253259 /nfs/dbraw/zinc/25/32/59/366253259.db2.gz RYZQWEJMICZQEX-UHFFFAOYSA-N 0 0 314.389 2.159 10 30 DEEERN C[C@H](NC(=O)c1cc(C#N)cn1C)c1nc(C(C)(C)C)no1 ZINC000081550560 192290055 /nfs/dbraw/zinc/29/00/55/192290055.db2.gz MYGKYXSVUWYNQA-VIFPVBQESA-N 0 0 301.350 2.068 10 30 DEEERN C=CCNC(=O)Nc1ccc(NC(=O)c2cc(C#N)cn2C)cc1 ZINC000081593368 192298912 /nfs/dbraw/zinc/29/89/12/192298912.db2.gz MIKDOPZFOMIBDA-UHFFFAOYSA-N 0 0 323.356 2.457 10 30 DEEERN CCNc1ncc(S(=O)(=O)N(C)[C@@H](C)CC#N)cc1Cl ZINC000081695455 192314191 /nfs/dbraw/zinc/31/41/91/192314191.db2.gz LGBKSIBTCQWIOX-VIFPVBQESA-N 0 0 316.814 2.089 10 30 DEEERN C=CCOCCCNC(=O)Cc1cc2ccccc2c(=O)[nH]1 ZINC000618517081 363513495 /nfs/dbraw/zinc/51/34/95/363513495.db2.gz XKBZOAFPCWKOJS-UHFFFAOYSA-N 0 0 300.358 2.192 10 30 DEEERN C=CCOCCCNC(=O)Cc1cc2ccccc2[nH]c1=O ZINC000618521391 363514729 /nfs/dbraw/zinc/51/47/29/363514729.db2.gz VAYHDMMXGXHUDM-UHFFFAOYSA-N 0 0 300.358 2.192 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(Br)cc1O ZINC000618526401 363517719 /nfs/dbraw/zinc/51/77/19/363517719.db2.gz OBJBPWCZHDIKEY-UHFFFAOYSA-N 0 0 314.179 2.477 10 30 DEEERN COC(=O)[C@H](c1ccccc1)N(C)C(=O)Cc1cccc(C#N)c1 ZINC000578344574 356802149 /nfs/dbraw/zinc/80/21/49/356802149.db2.gz RSLSYHUQUZWGIX-SFHVURJKSA-N 0 0 322.364 2.473 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCC(C(C)C)CC1 ZINC000578552313 356836465 /nfs/dbraw/zinc/83/64/65/356836465.db2.gz PEWDQIAONFTBDJ-OAHLLOKOSA-N 0 0 320.437 2.424 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc([S@](C)=O)cc1 ZINC000618674014 363570091 /nfs/dbraw/zinc/57/00/91/363570091.db2.gz VZZDBLHEFBSIJP-PZPWOCDFSA-N 0 0 307.415 2.021 10 30 DEEERN C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000585683689 357346138 /nfs/dbraw/zinc/34/61/38/357346138.db2.gz VIFRNVBYTFODCE-NHYWBVRUSA-N 0 0 317.364 2.008 10 30 DEEERN COCc1ncsc1C(=O)NCc1ccc(C#N)cc1F ZINC000585698535 357346729 /nfs/dbraw/zinc/34/67/29/357346729.db2.gz CIKULCZATYCNOE-UHFFFAOYSA-N 0 0 305.334 2.230 10 30 DEEERN C=C[C@H](C(=O)OC)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000585753731 357352953 /nfs/dbraw/zinc/35/29/53/357352953.db2.gz JGIMLZRCIWBWLT-OAHLLOKOSA-N 0 0 310.344 2.205 10 30 DEEERN CCOC(=O)CC[C@@H]1CCCN(c2nc(C)cc(C#N)n2)C1 ZINC000588005339 357387265 /nfs/dbraw/zinc/38/72/65/357387265.db2.gz SPXZDLCHZPLHIW-ZDUSSCGKSA-N 0 0 302.378 2.216 10 30 DEEERN COC(=O)c1cc(C)nc(N2CCC[C@@](C)(C#N)C2)c1[N+](=O)[O-] ZINC000588015985 357389203 /nfs/dbraw/zinc/38/92/03/357389203.db2.gz NTCWZDOGDNTADT-HNNXBMFYSA-N 0 0 318.333 2.215 10 30 DEEERN COC(=O)C(C)(C)CCNC(=O)NCc1ccc(C#N)cc1F ZINC000588209603 357402070 /nfs/dbraw/zinc/40/20/70/357402070.db2.gz JDVDBABXCFEDFT-UHFFFAOYSA-N 0 0 321.352 2.086 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000178595272 198894070 /nfs/dbraw/zinc/89/40/70/198894070.db2.gz FLYWWAWCFCEJFV-HNNXBMFYSA-N 0 0 321.384 2.056 10 30 DEEERN Cc1ccnc(N2CCC[C@H]2c2ccc(N(C)C)nn2)c1C#N ZINC000591614064 357744216 /nfs/dbraw/zinc/74/42/16/357744216.db2.gz TUQOEBZXRJBFKX-HNNXBMFYSA-N 0 0 308.389 2.459 10 30 DEEERN COc1cc(CN2C[C@H](OC)C[C@H]2c2ncc[nH]2)ccc1C#N ZINC000591633682 357745906 /nfs/dbraw/zinc/74/59/06/357745906.db2.gz OFSFGEAEYJBAHA-CABCVRRESA-N 0 0 312.373 2.252 10 30 DEEERN C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)CC#N ZINC000591650975 357748380 /nfs/dbraw/zinc/74/83/80/357748380.db2.gz JGUHLFJBNOEELA-UONOGXRCSA-N 0 0 303.410 2.487 10 30 DEEERN Cc1cc(S(=O)(=O)NC[C@@H](C)CC(F)F)ccc1C#N ZINC000592067891 357823357 /nfs/dbraw/zinc/82/33/57/357823357.db2.gz YFSKRAOYHFLNOK-VIFPVBQESA-N 0 0 302.346 2.436 10 30 DEEERN C=CCSc1nnc(NN=Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000005899243 181294139 /nfs/dbraw/zinc/29/41/39/181294139.db2.gz RXHZCJRRKCTWTE-MDWZMJQESA-N 0 0 304.335 2.437 10 30 DEEERN C=CC[C@H](CO)NC(=O)C1(C(=O)OC(C)(C)C)CCCCC1 ZINC000593603260 358109527 /nfs/dbraw/zinc/10/95/27/358109527.db2.gz JXXPTQKJJKESOP-CYBMUJFWSA-N 0 0 311.422 2.332 10 30 DEEERN C=CCCn1cc(C[S@@](=O)c2ccc3c(c2)CCO3)nn1 ZINC000593944119 358175315 /nfs/dbraw/zinc/17/53/15/358175315.db2.gz YUDGBRORKYHAJX-OAQYLSRUSA-N 0 0 303.387 2.097 10 30 DEEERN C=CCCn1cc(COc2cc(OC)ccc2[N+](=O)[O-])nn1 ZINC000594452650 358275478 /nfs/dbraw/zinc/27/54/78/358275478.db2.gz RKDYNRZHIXHTRJ-UHFFFAOYSA-N 0 0 304.306 2.350 10 30 DEEERN C=CCCn1cc(CS[C@H]2CCCN(C(C)C)C2=O)nn1 ZINC000594564878 358294784 /nfs/dbraw/zinc/29/47/84/358294784.db2.gz JTXSXOPUUHWKLG-AWEZNQCLSA-N 0 0 308.451 2.487 10 30 DEEERN C=CCc1ccc(OC[C@@H](O)CN2CC(CC#N)C2)c(OC)c1 ZINC000594716518 358323846 /nfs/dbraw/zinc/32/38/46/358323846.db2.gz RCUNTXKTXWDRTN-INIZCTEOSA-N 0 0 316.401 2.009 10 30 DEEERN C=CCOCCCNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000594851168 358348710 /nfs/dbraw/zinc/34/87/10/358348710.db2.gz YXNIAKNVITYJTQ-UHFFFAOYSA-N 0 0 314.794 2.083 10 30 DEEERN C=CCCCCCN(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594759385 358334313 /nfs/dbraw/zinc/33/43/13/358334313.db2.gz OFKZXLVBJXNKCP-UHFFFAOYSA-N 0 0 313.379 2.357 10 30 DEEERN C=CCSCCNC(=O)C(=O)Nc1cc(C)c(C)cc1OC ZINC000594975177 358372455 /nfs/dbraw/zinc/37/24/55/358372455.db2.gz RZUKDECNNYPWAZ-UHFFFAOYSA-N 0 0 322.430 2.286 10 30 DEEERN C=CCOCCCNC(=O)N[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000595768355 358544508 /nfs/dbraw/zinc/54/45/08/358544508.db2.gz ZDOQKMVRPWBTSH-MCMMXHMISA-N 0 0 324.446 2.377 10 30 DEEERN C=CCNC(=O)N1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000596019126 358594833 /nfs/dbraw/zinc/59/48/33/358594833.db2.gz DOOTVOAOXMIPDX-SNVBAGLBSA-N 0 0 309.391 2.005 10 30 DEEERN CN1C[C@H](CNc2ccc(Br)cc2C#N)CC1=O ZINC000596492388 358698698 /nfs/dbraw/zinc/69/86/98/358698698.db2.gz UMKFVLUCXIGUFE-VIFPVBQESA-N 0 0 308.179 2.211 10 30 DEEERN C=CCCNC(=O)N1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000596713694 358745324 /nfs/dbraw/zinc/74/53/24/358745324.db2.gz QINSZCVWLZCCPJ-NSHDSACASA-N 0 0 323.418 2.395 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)OC ZINC000596785572 358761801 /nfs/dbraw/zinc/76/18/01/358761801.db2.gz VMAKLQJTVLVZFU-GFCCVEGCSA-N 0 0 307.350 2.327 10 30 DEEERN C=CCCSCCNC(=O)Nc1cc(CCOC)nn1C ZINC000596802964 358765595 /nfs/dbraw/zinc/76/55/95/358765595.db2.gz ZFDOFFHZMOFESC-UHFFFAOYSA-N 0 0 312.439 2.040 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(C(=O)OC)cc1F ZINC000597157155 358837675 /nfs/dbraw/zinc/83/76/75/358837675.db2.gz RATKQTDXIGVQOC-AWEZNQCLSA-N 0 0 322.336 2.022 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCN(c2nccc(OCC)n2)CC1 ZINC000185544231 199864354 /nfs/dbraw/zinc/86/43/54/199864354.db2.gz VNXYVIMIMROYMU-CQSZACIVSA-N 0 0 318.421 2.126 10 30 DEEERN C=CC1CCN(C(=O)C(=O)Nc2cncc(OCCC)c2)CC1 ZINC000627323446 366502808 /nfs/dbraw/zinc/50/28/08/366502808.db2.gz WMMKUFIRXDXYHQ-UHFFFAOYSA-N 0 0 317.389 2.234 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000627456691 366527481 /nfs/dbraw/zinc/52/74/81/366527481.db2.gz VASHTYFLVSZSEF-UONOGXRCSA-N 0 0 318.417 2.439 10 30 DEEERN C=C[C@H](O)C(=O)N1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000597528154 358942204 /nfs/dbraw/zinc/94/22/04/358942204.db2.gz RWCYLLDBDOSPLT-XUXIUFHCSA-N 0 0 309.406 2.035 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000597864755 359028851 /nfs/dbraw/zinc/02/88/51/359028851.db2.gz QBNFRPYXZCEBRQ-JSGCOSHPSA-N 0 0 319.361 2.008 10 30 DEEERN C=C[C@@H](O)C(=O)N1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000597907365 359037284 /nfs/dbraw/zinc/03/72/84/359037284.db2.gz OHFOFDGBQBXNDI-HUUCEWRRSA-N 0 0 317.385 2.001 10 30 DEEERN C=CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)[C@H](C)COC ZINC000597951840 359050827 /nfs/dbraw/zinc/05/08/27/359050827.db2.gz LKWMAYZWUDAZBV-ZIAGYGMSSA-N 0 0 302.374 2.375 10 30 DEEERN C=CCC[C@H](NC(=O)c1ncnc2sccc21)C(=O)OCC ZINC000597733115 358993172 /nfs/dbraw/zinc/99/31/72/358993172.db2.gz QEIKTAMKCJTTBW-NSHDSACASA-N 0 0 319.386 2.319 10 30 DEEERN C=CCc1ccc(OCC(=O)N2CC(CC#N)C2)c(OC)c1 ZINC000598041139 359074110 /nfs/dbraw/zinc/07/41/10/359074110.db2.gz AYORWXWRRHMYOV-UHFFFAOYSA-N 0 0 300.358 2.175 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000185911016 199902554 /nfs/dbraw/zinc/90/25/54/199902554.db2.gz ONVREKPPEAQCDG-WDEREUQCSA-N 0 0 306.328 2.258 10 30 DEEERN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C(F)F)C1CCCCC1 ZINC000598648192 359276293 /nfs/dbraw/zinc/27/62/93/359276293.db2.gz FFCCTMYIXCMILZ-ZYHUDNBSSA-N 0 0 317.380 2.190 10 30 DEEERN C=C(C)[C@@H]([NH2+]C[C@H](O)CC(=O)OCC)c1ccc(F)c(F)c1 ZINC000599367359 359479456 /nfs/dbraw/zinc/47/94/56/359479456.db2.gz GWYOCFJUQHWIQI-MLGOLLRUSA-N 0 0 313.344 2.486 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cccc(C(=O)OCC)c2)C1 ZINC000599373896 359481601 /nfs/dbraw/zinc/48/16/01/359481601.db2.gz FSHNQNAOJWTTFU-ZDUSSCGKSA-N 0 0 323.414 2.450 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000599404657 359490198 /nfs/dbraw/zinc/49/01/98/359490198.db2.gz RACCDANJENIVIO-OLZOCXBDSA-N 0 0 308.428 2.217 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)c(C(=O)OC)o1 ZINC000599882312 359616490 /nfs/dbraw/zinc/61/64/90/359616490.db2.gz IDYIUDZMYPAZDH-AAEUAGOBSA-N 0 0 307.346 2.086 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc2c(C(=O)OC)c[nH]c2c1 ZINC000599841734 359610041 /nfs/dbraw/zinc/61/00/41/359610041.db2.gz FZSQWDKWGHTXDC-NSHDSACASA-N 0 0 317.345 2.013 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1 ZINC000600004781 359632972 /nfs/dbraw/zinc/63/29/72/359632972.db2.gz TWSDTWBKPGQONC-LLVKDONJSA-N 0 0 301.321 2.060 10 30 DEEERN C=CCC1(C(=O)N2C[C@@H](C)O[C@H](C(=O)OC)C2)CCCCC1 ZINC000600371559 359731290 /nfs/dbraw/zinc/73/12/90/359731290.db2.gz IIKZQMJMMPRPCX-KGLIPLIRSA-N 0 0 309.406 2.302 10 30 DEEERN C=CCC[C@@H](C(=O)N[C@@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000188173682 200204198 /nfs/dbraw/zinc/20/41/98/200204198.db2.gz VJHMSBZPUYZFFJ-HZPDHXFCSA-N 0 0 300.402 2.473 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000627641964 366575746 /nfs/dbraw/zinc/57/57/46/366575746.db2.gz ZRTZGDCYODUZRI-OLZOCXBDSA-N 0 0 314.307 2.493 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccc(C(=O)OCC)cc2)C1=O ZINC000601067772 359910367 /nfs/dbraw/zinc/91/03/67/359910367.db2.gz BRGUOPGFEGUTPA-CQSZACIVSA-N 0 0 316.357 2.250 10 30 DEEERN C=CCCC(C)(C)CN1C(=O)[C@H]2CC[C@@H](C(=O)OC)CN2C1=O ZINC000601071973 359912636 /nfs/dbraw/zinc/91/26/36/359912636.db2.gz YFPICUNELPICQN-CHWSQXEVSA-N 0 0 322.405 2.195 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc(C)c3nccn3c2)C1 ZINC000627733442 366603162 /nfs/dbraw/zinc/60/31/62/366603162.db2.gz VBPRASKHBMXEQQ-ZDUSSCGKSA-N 0 0 312.373 2.006 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2nccn2-c2ccccc2)C1 ZINC000627732707 366603461 /nfs/dbraw/zinc/60/34/61/366603461.db2.gz AVZIAEFYBFSMNA-AWEZNQCLSA-N 0 0 324.384 2.235 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2CCCC)C1 ZINC000627733690 366603660 /nfs/dbraw/zinc/60/36/60/366603660.db2.gz ALXKSUAVSPVUDU-CYBMUJFWSA-N 0 0 304.394 2.046 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2c(C)cc(C)nc2C)C1 ZINC000627732907 366603706 /nfs/dbraw/zinc/60/37/06/366603706.db2.gz GRBNIBRVKBJQLF-CQSZACIVSA-N 0 0 301.390 2.370 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cnn([C@@H](C)C3CC3)c2)C1 ZINC000627734560 366604326 /nfs/dbraw/zinc/60/43/26/366604326.db2.gz WSJHABHIDHYOLC-STQMWFEESA-N 0 0 316.405 2.217 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1c[nH]c2cccc(OCC)c12 ZINC000188797152 200304228 /nfs/dbraw/zinc/30/42/28/200304228.db2.gz LKHDXRUBDQDGRQ-CYBMUJFWSA-N 0 0 302.374 2.162 10 30 DEEERN C=C1CC(C)(C(=O)N[C@H](CC2(OC)CCC2)C(=O)OCC)C1 ZINC000601652883 360101128 /nfs/dbraw/zinc/10/11/28/360101128.db2.gz DJTNLUFFLCNRIT-CYBMUJFWSA-N 0 0 309.406 2.350 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)C(=O)c2c[nH]nc2C(C)C)c1 ZINC000189171750 200359129 /nfs/dbraw/zinc/35/91/29/200359129.db2.gz BVEGZCJOAHIXFZ-UHFFFAOYSA-N 0 0 324.384 2.225 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cc1ccc(OC)c(F)c1)C(=O)OC ZINC000601771033 360140382 /nfs/dbraw/zinc/14/03/82/360140382.db2.gz HFYPUEDZTQGQSW-CYBMUJFWSA-N 0 0 309.337 2.001 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc2c(c1)OCCCO2)C(=O)OC ZINC000601770790 360140403 /nfs/dbraw/zinc/14/04/03/360140403.db2.gz FIGFJANRVUJVHN-ZDUSSCGKSA-N 0 0 319.357 2.086 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(OC(C)(C)C)cn1)C(=O)OC ZINC000601782439 360146790 /nfs/dbraw/zinc/14/67/90/360146790.db2.gz PDTYPHCWECKVKR-CQSZACIVSA-N 0 0 320.389 2.497 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1CCN(c2ccccc2)C1)C(=O)OC ZINC000601782834 360146811 /nfs/dbraw/zinc/14/68/11/360146811.db2.gz RFCDYMLQZXSTSM-GDBMZVCRSA-N 0 0 316.401 2.137 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(CC)c([N+](=O)[O-])c1)C(=O)OC ZINC000601783909 360147712 /nfs/dbraw/zinc/14/77/12/360147712.db2.gz ZQZPCCFZXWDTBO-ZDUSSCGKSA-N 0 0 320.345 2.395 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(=O)OC ZINC000601784436 360147718 /nfs/dbraw/zinc/14/77/18/360147718.db2.gz ISPCMAYTTQWKSX-ARFHVFGLSA-N 0 0 312.369 2.286 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1CCCc2cccnc21)C(=O)OC ZINC000601783939 360147843 /nfs/dbraw/zinc/14/78/43/360147843.db2.gz YOUZXAVOVVBAAI-KGLIPLIRSA-N 0 0 302.374 2.126 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cc1c[nH]c2cc(F)ccc12)C(=O)OC ZINC000601784696 360147849 /nfs/dbraw/zinc/14/78/49/360147849.db2.gz GZOYOLRVRKVLEA-HNNXBMFYSA-N 0 0 318.348 2.474 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H]1CCc2ccccc2C1)C(=O)OC ZINC000601783715 360147884 /nfs/dbraw/zinc/14/78/84/360147884.db2.gz DDNWLMFPZYPXFH-JKSUJKDBSA-N 0 0 301.386 2.416 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(=O)OC ZINC000601785049 360148622 /nfs/dbraw/zinc/14/86/22/360148622.db2.gz OZVZKKGRCYLNGE-CYBMUJFWSA-N 0 0 320.345 2.449 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCc1cccc(N(C)C)c1)C(=O)OC ZINC000601785493 360148782 /nfs/dbraw/zinc/14/87/82/360148782.db2.gz BLKYLFXENZAFSZ-INIZCTEOSA-N 0 0 318.417 2.309 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(C(C)=O)c(C)nc1C)C(=O)OC ZINC000601788323 360150542 /nfs/dbraw/zinc/15/05/42/360150542.db2.gz UCAVKWJXAVXXEX-HNNXBMFYSA-N 0 0 318.373 2.139 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CC2(C(=O)OCC)CCOCC2)C1 ZINC000601679543 360112093 /nfs/dbraw/zinc/11/20/93/360112093.db2.gz LAYUCKCBFFFGTK-CQSZACIVSA-N 0 0 309.406 2.161 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CC2(C(=O)OCC)CCOCC2)C1 ZINC000601679542 360112188 /nfs/dbraw/zinc/11/21/88/360112188.db2.gz LAYUCKCBFFFGTK-AWEZNQCLSA-N 0 0 309.406 2.161 10 30 DEEERN C=CCn1c(-c2ncccn2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC000601853536 360175106 /nfs/dbraw/zinc/17/51/06/360175106.db2.gz BRHBFMGDLZSNQI-STQMWFEESA-N 0 0 309.377 2.050 10 30 DEEERN C=CCn1cc(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)nn1 ZINC000619108380 363707968 /nfs/dbraw/zinc/70/79/68/363707968.db2.gz OWODFRYZLNBCEU-UONOGXRCSA-N 0 0 318.421 2.320 10 30 DEEERN C=C(C)C[C@@H](NCc1ccc(C(=O)NC2CC2)cc1)C(=O)OC ZINC000602733017 360524796 /nfs/dbraw/zinc/52/47/96/360524796.db2.gz GSVYUZVVIKRLHT-MRXNPFEDSA-N 0 0 316.401 2.176 10 30 DEEERN C=C(C)C[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)OC ZINC000602735305 360526022 /nfs/dbraw/zinc/52/60/22/360526022.db2.gz UOSJEHVNXYEVGX-LBPRGKRZSA-N 0 0 308.334 2.201 10 30 DEEERN C=C(C)C[C@@H](NC1CCN(c2nccs2)CC1)C(=O)OC ZINC000602735372 360527146 /nfs/dbraw/zinc/52/71/46/360527146.db2.gz WFNRKYMRCZCSEJ-CYBMUJFWSA-N 0 0 309.435 2.209 10 30 DEEERN COCc1ccccc1S(=O)(=O)NCC1CCC(C#N)CC1 ZINC000443220541 238109827 /nfs/dbraw/zinc/10/98/27/238109827.db2.gz AFWWGUIVGURRJK-UHFFFAOYSA-N 0 0 322.430 2.441 10 30 DEEERN C=C[C@H](C(=O)OC)n1cc(CNc2c(C)cccc2C)nn1 ZINC000603232796 360759171 /nfs/dbraw/zinc/75/91/71/360759171.db2.gz FSTQHORJLLMRLA-CQSZACIVSA-N 0 0 300.362 2.407 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC1COC1 ZINC000627987303 366686048 /nfs/dbraw/zinc/68/60/48/366686048.db2.gz FHVQGCHADHTVQZ-UHFFFAOYSA-N 0 0 316.401 2.240 10 30 DEEERN Cc1cc2ncc(C(=O)NCc3ccc(C#N)cc3F)c(C)n2n1 ZINC000609229064 361290276 /nfs/dbraw/zinc/29/02/76/361290276.db2.gz PCJVIUSKYUYZRI-UHFFFAOYSA-N 0 0 323.331 2.287 10 30 DEEERN Cc1nccn1CCCNC(=O)NCc1ccc(C#N)cc1F ZINC000609239806 361291527 /nfs/dbraw/zinc/29/15/27/361291527.db2.gz ARSMPTNFYIQKQA-UHFFFAOYSA-N 0 0 315.352 2.092 10 30 DEEERN Cc1nc(C(C)(C)NC(=O)NCc2ccc(C#N)cc2F)no1 ZINC000609253172 361291865 /nfs/dbraw/zinc/29/18/65/361291865.db2.gz XPRGCGYEKDEARF-UHFFFAOYSA-N 0 0 317.324 2.123 10 30 DEEERN N#Cc1ccc(CNC(=O)Nc2cccc(C(N)=O)c2)c(F)c1 ZINC000609239786 361292058 /nfs/dbraw/zinc/29/20/58/361292058.db2.gz ARJGRNYKJMJAQJ-UHFFFAOYSA-N 0 0 312.304 2.118 10 30 DEEERN CN(C)c1ccc(NC(=O)NCc2ccc(C#N)cc2F)cn1 ZINC000609253471 361292166 /nfs/dbraw/zinc/29/21/66/361292166.db2.gz MVTCGSCVZJITCR-UHFFFAOYSA-N 0 0 313.336 2.480 10 30 DEEERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@](C)(C#N)CC(C)C ZINC000608813761 361267475 /nfs/dbraw/zinc/26/74/75/361267475.db2.gz ZCFZXGXYTHELNS-WMZOPIPTSA-N 0 0 313.401 2.409 10 30 DEEERN C=CC[C@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)oc2C)C1 ZINC000628062736 366706595 /nfs/dbraw/zinc/70/65/95/366706595.db2.gz OPADVLJWJBUHTE-LBPRGKRZSA-N 0 0 311.403 2.420 10 30 DEEERN CC[C@H](C[C@H](C)CO)NC(=O)NCc1ccc(C#N)cc1F ZINC000610402575 361394130 /nfs/dbraw/zinc/39/41/30/361394130.db2.gz SAMRQLIVLJSWTN-SMDDNHRTSA-N 0 0 307.369 2.294 10 30 DEEERN COc1cccc2c1OC[C@H](NC(=O)Cc1cccc(C#N)c1)C2 ZINC000610521185 361414940 /nfs/dbraw/zinc/41/49/40/361414940.db2.gz DBUDOPXZJIOEJL-MRXNPFEDSA-N 0 0 322.364 2.229 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@@H]1CCc2nnc(C3CC3)n2C1 ZINC000628312434 366805987 /nfs/dbraw/zinc/80/59/87/366805987.db2.gz BDIVDDAXSKTEFG-CYBMUJFWSA-N 0 0 302.422 2.436 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@H]1CCc2nnc(C3CC3)n2C1 ZINC000628312435 366806403 /nfs/dbraw/zinc/80/64/03/366806403.db2.gz BDIVDDAXSKTEFG-ZDUSSCGKSA-N 0 0 302.422 2.436 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1ccc(S(C)(=O)=O)s1 ZINC000628311934 366806555 /nfs/dbraw/zinc/80/65/55/366806555.db2.gz HHRXPNVUJBAMDM-UHFFFAOYSA-N 0 0 301.433 2.484 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000628318047 366807436 /nfs/dbraw/zinc/80/74/36/366807436.db2.gz MJBPVIMETJYWAH-UHFFFAOYSA-N 0 0 310.419 2.390 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1cc(C)nc2c1c(=O)[nH]n2C ZINC000628317551 366807900 /nfs/dbraw/zinc/80/79/00/366807900.db2.gz OFYASTIPQZLHQV-UHFFFAOYSA-N 0 0 302.378 2.314 10 30 DEEERN CCCN(CC(C)(C)O)C(=O)NCc1ccc(C#N)cc1F ZINC000610774293 361464345 /nfs/dbraw/zinc/46/43/45/361464345.db2.gz LOHLORAYLVOIPL-UHFFFAOYSA-N 0 0 307.369 2.390 10 30 DEEERN N#Cc1ccc(CNC(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000611004417 361511640 /nfs/dbraw/zinc/51/16/40/361511640.db2.gz IABGMMBJOFLAMS-HUUCEWRRSA-N 0 0 317.364 2.265 10 30 DEEERN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000611039095 361516752 /nfs/dbraw/zinc/51/67/52/361516752.db2.gz BPXOUZZJIRXJFN-GFCCVEGCSA-N 0 0 317.389 2.470 10 30 DEEERN COCCn1nc(C)c(NC(=O)N2CCC(C)(C#N)CC2)c1C ZINC000611558757 361630788 /nfs/dbraw/zinc/63/07/88/361630788.db2.gz PDNGAHYSAKIXMJ-UHFFFAOYSA-N 0 0 319.409 2.304 10 30 DEEERN COC[C@@](C)(NCC(=O)Nc1cccc(C#N)c1)C(F)(F)F ZINC000611717275 361667076 /nfs/dbraw/zinc/66/70/76/361667076.db2.gz BSEDQSMCGOHMBP-CYBMUJFWSA-N 0 0 315.295 2.054 10 30 DEEERN C=CCCC1(CNC(=O)C(=O)NCC2(COC)CC2)CCCC1 ZINC000612038926 361728441 /nfs/dbraw/zinc/72/84/41/361728441.db2.gz MVMYMYQVUBSMFF-UHFFFAOYSA-N 0 0 322.449 2.172 10 30 DEEERN CCN1c2ccc(NC(=O)NCC3(C#N)CC3)cc2CCC1=O ZINC000619537990 363820495 /nfs/dbraw/zinc/82/04/95/363820495.db2.gz IASWQNSERWSIOT-UHFFFAOYSA-N 0 0 312.373 2.411 10 30 DEEERN C=C[C@@H](N[C@H](C)c1nc(C)c(C(=O)OCC)s1)C(=O)OC ZINC000619701941 363860262 /nfs/dbraw/zinc/86/02/62/363860262.db2.gz ANVQRXUBEFUVAU-NXEZZACHSA-N 0 0 312.391 2.006 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N1CC[C@](F)(C#N)C1 ZINC000619730988 363868709 /nfs/dbraw/zinc/86/87/09/363868709.db2.gz QDHNZLCBDPFAAI-KRWDZBQOSA-N 0 0 315.348 2.208 10 30 DEEERN C=CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000619741951 363869320 /nfs/dbraw/zinc/86/93/20/363869320.db2.gz AUCBOTYJCBQJIZ-IYBDPMFKSA-N 0 0 321.384 2.370 10 30 DEEERN COC(=O)C1CCC(NC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000619668670 363851117 /nfs/dbraw/zinc/85/11/17/363851117.db2.gz DQIGHWOBJIPTBC-UHFFFAOYSA-N 0 0 321.421 2.347 10 30 DEEERN CCOC(=O)C[C@@]1([C@H]2CO2)CCCN(C(=O)OC(C)(C)C)C1 ZINC000675053560 541285632 /nfs/dbraw/zinc/28/56/32/541285632.db2.gz OLFRZCGZRHWFGF-WBMJQRKESA-N 0 0 313.394 2.356 10 30 DEEERN C[C@@H]1CCCN1S(=O)(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619752567 363871445 /nfs/dbraw/zinc/87/14/45/363871445.db2.gz AQTOCEXRZMHGRK-SNVBAGLBSA-N 0 0 313.810 2.030 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CSCN1C(=O)CCC ZINC000620310365 364014148 /nfs/dbraw/zinc/01/41/48/364014148.db2.gz NBBIIFUKGSQSTH-HZSPNIEDSA-N 0 0 308.447 2.398 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCN(c2cnccn2)CC1 ZINC000620315160 364014960 /nfs/dbraw/zinc/01/49/60/364014960.db2.gz ZHPVSBMAYCNQQK-IYBDPMFKSA-N 0 0 312.417 2.403 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ccc([C@@H]2CC(=O)NC(=O)N2)cc1 ZINC000620123888 363962482 /nfs/dbraw/zinc/96/24/82/363962482.db2.gz XIYFPQAABYKOQP-FZMZJTMJSA-N 0 0 315.373 2.498 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000620302161 364012900 /nfs/dbraw/zinc/01/29/00/364012900.db2.gz SUWVNSRSXUSTHJ-ZVDSWSACSA-N 0 0 302.418 2.391 10 30 DEEERN COc1cc(NC(=O)c2ccc(C#N)n2C)cc(OC)c1OC ZINC000448606869 239450066 /nfs/dbraw/zinc/45/00/66/239450066.db2.gz MBYYUMNDPNPHHM-UHFFFAOYSA-N 0 0 315.329 2.175 10 30 DEEERN C=C(C)COCCNC(=O)N(C)Cc1c(C)cc(C)nc1OC ZINC000621434675 364400965 /nfs/dbraw/zinc/40/09/65/364400965.db2.gz IMJDKQJFWKDURE-UHFFFAOYSA-N 0 0 321.421 2.441 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621560683 364454985 /nfs/dbraw/zinc/45/49/85/364454985.db2.gz BGIVRMGMQDSCDQ-OAHLLOKOSA-N 0 0 322.430 2.264 10 30 DEEERN CC#CC[C@H](CO)NC(=O)N[C@H](C(F)F)C1CCCCC1 ZINC000621499704 364427341 /nfs/dbraw/zinc/42/73/41/364427341.db2.gz CQHMMUKKDFYOJY-OLZOCXBDSA-N 0 0 302.365 2.274 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CNC(=O)c2ccccc2OCC)C1 ZINC000628482084 366862923 /nfs/dbraw/zinc/86/29/23/366862923.db2.gz DPQUAPDSDIPTRA-AWEZNQCLSA-N 0 0 316.401 2.240 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CN2C(=O)c3ccc(C)cc3C2=O)C1 ZINC000628483673 366863791 /nfs/dbraw/zinc/86/37/91/366863791.db2.gz TVPCVZPARRPSAN-CYBMUJFWSA-N 0 0 312.369 2.016 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000628485173 366864048 /nfs/dbraw/zinc/86/40/48/366864048.db2.gz DOJVHQVHUHLCTF-KGLIPLIRSA-N 0 0 302.374 2.053 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CN2c3ccccc3O[C@@H](C)C2=O)C1 ZINC000628484063 366864054 /nfs/dbraw/zinc/86/40/54/366864054.db2.gz CYYQWBOOXIVMSU-KBPBESRZSA-N 0 0 314.385 2.225 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CCn2cnc3ccccc3c2=O)C1 ZINC000628484699 366864088 /nfs/dbraw/zinc/86/40/88/366864088.db2.gz SQOCOKUWQPWLQC-CQSZACIVSA-N 0 0 311.385 2.211 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C[C@@H](NC(N)=O)c2ccccc2)C1 ZINC000628484153 366864278 /nfs/dbraw/zinc/86/42/78/366864278.db2.gz FRQXKJRSGOBIDM-UKRRQHHQSA-N 0 0 301.390 2.211 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cnc3sc(C)c(C)n3c2=O)C1 ZINC000628490198 366865139 /nfs/dbraw/zinc/86/51/39/366865139.db2.gz RRLIRLJHOZIWKP-GFCCVEGCSA-N 0 0 317.414 2.411 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(CCOC)Cc1cccs1 ZINC000622774387 364793992 /nfs/dbraw/zinc/79/39/92/364793992.db2.gz FQKGNEJOYBTIAV-OAHLLOKOSA-N 0 0 324.446 2.194 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)Nc1cccc2c1CCN(C)C2=O ZINC000622947613 364838639 /nfs/dbraw/zinc/83/86/39/364838639.db2.gz UOKYCKVEVFOLID-GOSISDBHSA-N 0 0 316.401 2.482 10 30 DEEERN C=CCOCCCC(=O)N1CCc2nc(C(C)C)ncc2C1 ZINC000623253667 364946006 /nfs/dbraw/zinc/94/60/06/364946006.db2.gz AWSPYBNCLITXDU-UHFFFAOYSA-N 0 0 303.406 2.468 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCCn2c(=O)oc3ccccc32)C1 ZINC000623579564 365087682 /nfs/dbraw/zinc/08/76/82/365087682.db2.gz HZBOKHWPGHAEQZ-ZDUSSCGKSA-N 0 0 315.373 2.202 10 30 DEEERN Cc1cccn2c1ncc(C(=O)Nc1ccccc1C#N)c2=O ZINC000091187931 193015397 /nfs/dbraw/zinc/01/53/97/193015397.db2.gz VUSMTHQJHPZALE-UHFFFAOYSA-N 0 0 304.309 2.127 10 30 DEEERN CCOC(=O)/C(Br)=C/C#CCO[C@H]1CCCCO1 ZINC000091252169 193027330 /nfs/dbraw/zinc/02/73/30/193027330.db2.gz DCUOLTWSYZMYPQ-SEVUFMINSA-N 0 0 317.179 2.375 10 30 DEEERN O=C(NCc1ccccc1Cl)c1ccncc1C#CCO ZINC000091457487 193058618 /nfs/dbraw/zinc/05/86/18/193058618.db2.gz BIXXCTDIRRICET-UHFFFAOYSA-N 0 0 300.745 2.009 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC(CS(C)(=O)=O)CC1 ZINC000624463201 365430346 /nfs/dbraw/zinc/43/03/46/365430346.db2.gz YJUDDJYJIXYJHD-UHFFFAOYSA-N 0 0 316.467 2.055 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000624465446 365431348 /nfs/dbraw/zinc/43/13/48/365431348.db2.gz QIJNQHYGCGLJSX-CQSZACIVSA-N 0 0 319.453 2.290 10 30 DEEERN CC[C@H](CC#N)NCc1cnc2cnc(Br)cn12 ZINC000092049954 193148445 /nfs/dbraw/zinc/14/84/45/193148445.db2.gz KNYLMAAVKBUXTR-SECBINFHSA-N 0 0 308.183 2.274 10 30 DEEERN COc1ccc(O[C@@H](C)CNC(=O)c2ccc(C#N)n2C)cc1 ZINC000449971984 241307369 /nfs/dbraw/zinc/30/73/69/241307369.db2.gz MBDHAFGWIQQRRP-LBPRGKRZSA-N 0 0 313.357 2.103 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CC(OCCCOC)C2)cc1 ZINC000450034629 241372696 /nfs/dbraw/zinc/37/26/96/241372696.db2.gz XIRIKAQZWCISKC-UHFFFAOYSA-N 0 0 319.401 2.058 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000629125995 367089672 /nfs/dbraw/zinc/08/96/72/367089672.db2.gz ZPCXPKCJHKXLKP-WBVHZDCISA-N 0 0 301.386 2.478 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(Cc2cccs2)C1 ZINC000629629929 367279607 /nfs/dbraw/zinc/27/96/07/367279607.db2.gz WQQRICRVQSIGSL-OAHLLOKOSA-N 0 0 306.431 2.220 10 30 DEEERN C=C(C)[C@@H](CC(=O)NC1(c2cc(C)no2)CCOCC1)OCC ZINC000629726095 367314697 /nfs/dbraw/zinc/31/46/97/367314697.db2.gz BIEKGFUUNRTKIK-CQSZACIVSA-N 0 0 322.405 2.476 10 30 DEEERN C[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1)c1cccnc1 ZINC000092131154 193166130 /nfs/dbraw/zinc/16/61/30/193166130.db2.gz SIKKWAXVMNUYPA-GFCCVEGCSA-N 0 0 301.371 2.187 10 30 DEEERN C=C1CC(C)(C(=O)Nc2ccc(OCCC(=O)NC)cc2)C1 ZINC000630936069 367921432 /nfs/dbraw/zinc/92/14/32/367921432.db2.gz RAVBKZRSCNHURV-UHFFFAOYSA-N 0 0 302.374 2.496 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccc(NC(C)=O)cc2)C1=O ZINC000630964037 367938972 /nfs/dbraw/zinc/93/89/72/367938972.db2.gz DBHAIJIQKVPESO-AWEZNQCLSA-N 0 0 301.346 2.032 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCc2cc(C)ccc2OC)C1=O ZINC000630965769 367940389 /nfs/dbraw/zinc/94/03/89/367940389.db2.gz UQLUGSQFKQWXGE-CQSZACIVSA-N 0 0 302.374 2.433 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCn2c(C)nc3ccccc32)C1=O ZINC000630965243 367940404 /nfs/dbraw/zinc/94/04/04/367940404.db2.gz OYGVBWFYUWUIGE-AWEZNQCLSA-N 0 0 312.373 2.231 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2cccc3c2OCCCO3)C1=O ZINC000630966497 367940550 /nfs/dbraw/zinc/94/05/50/367940550.db2.gz CPOUIJWVGZPVRD-ZDUSSCGKSA-N 0 0 316.357 2.235 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H](C)COc2cccc(F)c2)C1=O ZINC000630967875 367941523 /nfs/dbraw/zinc/94/15/23/367941523.db2.gz OEXPRNBMBYODOL-BXUZGUMPSA-N 0 0 306.337 2.480 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2cccnc2N2CCCC2)C1=O ZINC000630986865 367951725 /nfs/dbraw/zinc/95/17/25/367951725.db2.gz MBUUYXGEVNQCSX-CQSZACIVSA-N 0 0 314.389 2.068 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H](CC)COCC(F)(F)F)C1=O ZINC000630986012 367951838 /nfs/dbraw/zinc/95/18/38/367951838.db2.gz XOZDHYRZPWRWSO-ZJUUUORDSA-N 0 0 308.300 2.231 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2C[C@H]2c2ccccc2OC)C1=O ZINC000630986861 367952166 /nfs/dbraw/zinc/95/21/66/367952166.db2.gz LWBJSZIMIUILFZ-MELADBBJSA-N 0 0 300.358 2.438 10 30 DEEERN Cc1ccc(C(N)=O)cc1NCc1cnc2ccc(C#N)cn12 ZINC000092153795 193168845 /nfs/dbraw/zinc/16/88/45/193168845.db2.gz NDUMIBHVAVNGHX-UHFFFAOYSA-N 0 0 305.341 2.225 10 30 DEEERN C=CCOc1ccccc1CNC(=O)C1CCN(OC)CC1 ZINC000631226225 368089534 /nfs/dbraw/zinc/08/95/34/368089534.db2.gz KPGGYOGZNSDPJP-UHFFFAOYSA-N 0 0 304.390 2.141 10 30 DEEERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(C#N)n1C ZINC000451667215 243281712 /nfs/dbraw/zinc/28/17/12/243281712.db2.gz UBQFRWMYRVQGSM-UHFFFAOYSA-N 0 0 312.329 2.120 10 30 DEEERN C=CCOc1ccc(CNC(=O)C[C@H]2CCOC[C@@H]2OC)cc1 ZINC000451671538 243289885 /nfs/dbraw/zinc/28/98/85/243289885.db2.gz ZJQZCMIBDPWTBG-WBVHZDCISA-N 0 0 319.401 2.309 10 30 DEEERN Cn1ncc(C(=O)N2CCc3c(Cl)cc(F)cc3C2)c1C#N ZINC000452318391 244139763 /nfs/dbraw/zinc/13/97/63/244139763.db2.gz LNFDQWMEIOCMIS-UHFFFAOYSA-N 0 0 318.739 2.283 10 30 DEEERN C=CCOCC(=O)NCc1nc(C)c(Br)s1 ZINC000452400491 244249088 /nfs/dbraw/zinc/24/90/88/244249088.db2.gz UTZFIJNDTPSQBV-UHFFFAOYSA-N 0 0 305.197 2.033 10 30 DEEERN Cn1ncc(C#N)c1NC(=O)Cc1cccc(Br)c1 ZINC000093334974 193233353 /nfs/dbraw/zinc/23/33/53/193233353.db2.gz VWDJQCTUYBLCEL-UHFFFAOYSA-N 0 0 319.162 2.235 10 30 DEEERN CN(CCN1CCN(c2ccccc2)CC1)Cc1ccc(C#N)o1 ZINC000093563533 193268080 /nfs/dbraw/zinc/26/80/80/193268080.db2.gz LZGRDWSUCBRTQK-UHFFFAOYSA-N 0 0 324.428 2.405 10 30 DEEERN CCCN[C@]1(C#N)CCC[C@H](Sc2nc(C)cc(=O)[nH]2)C1 ZINC000093746978 193300107 /nfs/dbraw/zinc/30/01/07/193300107.db2.gz JAOPPFFFLHGPDZ-SWLSCSKDSA-N 0 0 306.435 2.375 10 30 DEEERN CC(C)N[C@@]1(C#N)CC[C@@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093806740 193308887 /nfs/dbraw/zinc/30/88/87/193308887.db2.gz JHNNQFFPUZDIOE-YGRLFVJLSA-N 0 0 302.407 2.258 10 30 DEEERN Cc1sc(=O)n(Cc2cc(F)cc(C#CCCO)c2)c1C ZINC000093982155 193334419 /nfs/dbraw/zinc/33/44/19/193334419.db2.gz QNZNENCWYSFSNC-UHFFFAOYSA-N 0 0 305.374 2.448 10 30 DEEERN CC(C)(C)OC(=O)N1CCCCC[C@H]1[C@@H](C#N)S(C)(=O)=O ZINC000094711597 193392990 /nfs/dbraw/zinc/39/29/90/193392990.db2.gz IXIZOVPVMQHDSF-NWDGAFQWSA-N 0 0 316.423 2.103 10 30 DEEERN COc1cc(C#N)ccc1O[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094636542 193386669 /nfs/dbraw/zinc/38/66/69/193386669.db2.gz UXEQVAMPHATYNJ-CHWSQXEVSA-N 0 0 309.387 2.301 10 30 DEEERN N#CCCN(c1nc(Br)cn2ccnc12)C1CC1 ZINC000094489582 193373832 /nfs/dbraw/zinc/37/38/32/193373832.db2.gz MMZLPNAABZUSRE-UHFFFAOYSA-N 0 0 306.167 2.374 10 30 DEEERN C#CCN1C(=O)N=C(N)[C@@H]1c1ccc(F)c(Br)c1 ZINC000094516811 193376421 /nfs/dbraw/zinc/37/64/21/193376421.db2.gz JMPBXKMZRSAFIN-JTQLQIEISA-N 0 0 310.126 2.055 10 30 DEEERN Cc1cc(C(=O)N(C)C2CCOCC2)sc1C#CCCO ZINC000094533910 193377172 /nfs/dbraw/zinc/37/71/72/193377172.db2.gz FLBJKJNBBXCHFC-UHFFFAOYSA-N 0 0 307.415 2.041 10 30 DEEERN C=CCn1c(N2CC[C@H](COCC)C2)nnc1[C@]1(C)CCCO1 ZINC000453442328 245138583 /nfs/dbraw/zinc/13/85/83/245138583.db2.gz PFTYFOCXNCEFRW-YOEHRIQHSA-N 0 0 320.437 2.353 10 30 DEEERN C=CCN(CCOC)c1nnc([C@]2(C)CCCO2)n1CC=C ZINC000453448848 245145908 /nfs/dbraw/zinc/14/59/08/245145908.db2.gz ZINBHCAIQSNGJN-INIZCTEOSA-N 0 0 306.410 2.129 10 30 DEEERN C=CCC(=O)N1CC[C@H](C2CCN(c3ncccn3)CC2)C1 ZINC000012714160 181790595 /nfs/dbraw/zinc/79/05/95/181790595.db2.gz IIVUICHMCAMBFZ-HNNXBMFYSA-N 0 0 300.406 2.118 10 30 DEEERN Cc1ccc(C(=O)NC[C@H]2CCCS2)c(C#CCCO)c1 ZINC000161330451 197485527 /nfs/dbraw/zinc/48/55/27/197485527.db2.gz SVEXRCADWCKMMG-OAHLLOKOSA-N 0 0 303.427 2.354 10 30 DEEERN CCCCCN(CCO)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000153682700 291574579 /nfs/dbraw/zinc/57/45/79/291574579.db2.gz DHLAZDHPYWOLFR-CQSZACIVSA-N 0 0 304.390 2.337 10 30 DEEERN CN(CCC#N)CC(=O)Nc1ccc(C(F)(F)F)cc1N ZINC000019833180 182155028 /nfs/dbraw/zinc/15/50/28/182155028.db2.gz WMSFVIVIBHKYJP-UHFFFAOYSA-N 0 0 300.284 2.072 10 30 DEEERN C=CC[C@@H]([NH3+])C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000160259880 197396130 /nfs/dbraw/zinc/39/61/30/197396130.db2.gz PDAGHSQKXRDFHE-SECBINFHSA-N 0 0 302.252 2.246 10 30 DEEERN N#Cc1ccccc1CS(=O)(=O)NCc1ccc(F)cc1 ZINC000021499739 182274992 /nfs/dbraw/zinc/27/49/92/182274992.db2.gz JYYDRVKATBUFLW-UHFFFAOYSA-N 0 0 304.346 2.317 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCOc1ccc(Cl)c(F)c1 ZINC000455377773 246545889 /nfs/dbraw/zinc/54/58/89/246545889.db2.gz WHLFRQJSNBTVCD-JTQLQIEISA-N 0 0 316.760 2.094 10 30 DEEERN CCCCCCCCCC(=O)[C@@H](C(=O)[O-])[C@H](O)C[N+](C)(C)C ZINC000100101246 193794686 /nfs/dbraw/zinc/79/46/86/193794686.db2.gz QDFUGZFFTZZWFP-HZPDHXFCSA-O 0 0 316.462 2.464 10 30 DEEERN C=CCC[C@H](NC(=O)c1cnc2cnccc2c1)C(=O)OCC ZINC000456603190 247305906 /nfs/dbraw/zinc/30/59/06/247305906.db2.gz IJWHCHCAPOCJQV-AWEZNQCLSA-N 0 0 313.357 2.258 10 30 DEEERN C=CCC[C@H](NC(=O)c1c(C)[nH]nc1C(C)C)C(=O)OCC ZINC000456609389 247307530 /nfs/dbraw/zinc/30/75/30/247307530.db2.gz OLOQMYAPNHDSSC-LBPRGKRZSA-N 0 0 307.394 2.469 10 30 DEEERN CN(CC(C)(C)C#N)C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000458547002 248366860 /nfs/dbraw/zinc/36/68/60/248366860.db2.gz HTWMTUYPVBYGMG-CYBMUJFWSA-N 0 0 317.389 2.408 10 30 DEEERN C=CCN(CC=C)C(=O)NCc1nn(C)cc1Br ZINC000459011742 248565325 /nfs/dbraw/zinc/56/53/25/248565325.db2.gz IGGVKTMKCJDIOE-UHFFFAOYSA-N 0 0 313.199 2.066 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H](O)Cc1ccccc1 ZINC000487654486 248767424 /nfs/dbraw/zinc/76/74/24/248767424.db2.gz CNQJRLIKBBZMAM-NUJGCVRESA-N 0 0 303.402 2.078 10 30 DEEERN Cc1ccc(C(=O)N(C)Cc2csc(C#CCO)c2)n1C ZINC000042363763 183258743 /nfs/dbraw/zinc/25/87/43/183258743.db2.gz HVBOPQGQKDJDDQ-UHFFFAOYSA-N 0 0 302.399 2.011 10 30 DEEERN CCCN(C/C(N)=N/O)Cc1sccc1Br ZINC000045092670 183481038 /nfs/dbraw/zinc/48/10/38/183481038.db2.gz LZSXHJIBSDNHCC-UHFFFAOYSA-N 0 0 306.229 2.469 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1cccc(OCC(=O)NCC)c1 ZINC000274258030 211462882 /nfs/dbraw/zinc/46/28/82/211462882.db2.gz AXCUGBUPMFJARG-CQSZACIVSA-N 0 0 318.417 2.420 10 30 DEEERN C[C@@H]1CC(O)C[C@@H](C)N1CC(=O)N(CCC#N)c1ccccc1 ZINC000191172672 296289635 /nfs/dbraw/zinc/28/96/35/296289635.db2.gz KXZJEIUILXDTRJ-HUUCEWRRSA-N 0 0 315.417 2.167 10 30 DEEERN CN(Cc1csc(C#CCO)c1)C(=O)[C@@H]1CCCCS1 ZINC000156273334 197100123 /nfs/dbraw/zinc/10/01/23/197100123.db2.gz BCNLXSSERCQPEV-AWEZNQCLSA-N 0 0 309.456 2.336 10 30 DEEERN COCCN[C@@]1(C#N)CCc2cc(Br)ccc2C1 ZINC000110830267 194362419 /nfs/dbraw/zinc/36/24/19/194362419.db2.gz BPYLGEMMBRVRET-AWEZNQCLSA-N 0 0 309.207 2.436 10 30 DEEERN Cc1ncsc1CN(C)C(=O)c1ccc(C#CCO)cc1 ZINC000111673933 194413460 /nfs/dbraw/zinc/41/34/60/194413460.db2.gz YABPCHIHXPFACS-UHFFFAOYSA-N 0 0 300.383 2.068 10 30 DEEERN C#CCOC[C@H]1CCCN(C(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000056922924 184021728 /nfs/dbraw/zinc/02/17/28/184021728.db2.gz YNALUPPVVQHWAO-HNNXBMFYSA-N 0 0 314.385 2.147 10 30 DEEERN C#CCOC[C@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 ZINC000056923255 184021737 /nfs/dbraw/zinc/02/17/37/184021737.db2.gz NTJKSRZSVVEVQQ-AWEZNQCLSA-N 0 0 309.369 2.132 10 30 DEEERN C=CCN(C(=O)[C@H]1CSCN1C(=O)C1CCCC1)C1CC1 ZINC000273225837 210602246 /nfs/dbraw/zinc/60/22/46/210602246.db2.gz DXDYJNLGACCEBK-CQSZACIVSA-N 0 0 308.447 2.255 10 30 DEEERN N#Cc1c(Br)cncc1I ZINC000059099492 184134118 /nfs/dbraw/zinc/13/41/18/184134118.db2.gz XIYBEKNIPBGYAX-UHFFFAOYSA-N 0 0 308.904 2.320 10 30 DEEERN CCCCCC#C[C@@](C)(O)C[NH2+][C@@H](CSCC)C(=O)[O-] ZINC000059409715 184138262 /nfs/dbraw/zinc/13/82/62/184138262.db2.gz FOXPWAMMPYFZLF-DZGCQCFKSA-N 0 0 301.452 2.117 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)NCC(F)(F)F ZINC000060738678 184155136 /nfs/dbraw/zinc/15/51/36/184155136.db2.gz AEFPCGBLLXCXMT-UHFFFAOYSA-N 0 0 318.251 2.381 10 30 DEEERN CN(Cc1cc(C#CCCO)cs1)C(=O)NCC(F)(F)F ZINC000158096449 197243469 /nfs/dbraw/zinc/24/34/69/197243469.db2.gz XISJLBYOAYCMHQ-UHFFFAOYSA-N 0 0 320.336 2.186 10 30 DEEERN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(C#CCO)cn1 ZINC000061861654 184190208 /nfs/dbraw/zinc/19/02/08/184190208.db2.gz ZQWBTGMRWRQJPZ-UHFFFAOYSA-N 0 0 304.708 2.470 10 30 DEEERN CC1(C)CC(=O)N(Cc2ccc(C#CCCO)s2)C(=O)C1 ZINC000061828381 184188870 /nfs/dbraw/zinc/18/88/70/184188870.db2.gz DNRHYWRILULGQL-UHFFFAOYSA-N 0 0 305.399 2.157 10 30 DEEERN CC1(C)CC(=O)N(Cc2cc(C#CCCO)cs2)C(=O)C1 ZINC000061828379 184188884 /nfs/dbraw/zinc/18/88/84/184188884.db2.gz WLUOTIUQAUFDRP-UHFFFAOYSA-N 0 0 305.399 2.157 10 30 DEEERN CN(c1ccc(C#N)cc1)S(=O)(=O)c1ccnc(Cl)c1 ZINC000061980152 184200132 /nfs/dbraw/zinc/20/01/32/184200132.db2.gz SNWJIWMEMIUOBL-UHFFFAOYSA-N 0 0 307.762 2.432 10 30 DEEERN C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1C#N ZINC000062189479 184217755 /nfs/dbraw/zinc/21/77/55/184217755.db2.gz ZZMQXBPKJISHKW-CYBMUJFWSA-N 0 0 300.383 2.468 10 30 DEEERN CS(=O)(=O)c1ccc(SCCCC/C(N)=N/O)cc1 ZINC000063131354 184272344 /nfs/dbraw/zinc/27/23/44/184272344.db2.gz UAIIXHRXKIYLTO-UHFFFAOYSA-N 0 0 302.421 2.099 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cccc(NC(N)=O)c1 ZINC000063851524 184289825 /nfs/dbraw/zinc/28/98/25/184289825.db2.gz UYWKZNUNUTYJMW-UHFFFAOYSA-N 0 0 301.268 2.368 10 30 DEEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccnn1C ZINC000066179542 184394972 /nfs/dbraw/zinc/39/49/72/184394972.db2.gz MMZWJOYJCDHEIQ-UHFFFAOYSA-N 0 0 311.389 2.412 10 30 DEEERN CC(C)CC[C@@H](C)NS(=O)(=O)c1ccccc1C#CCO ZINC000069235796 184505140 /nfs/dbraw/zinc/50/51/40/184505140.db2.gz DMFAQLFDFWMFSA-CQSZACIVSA-N 0 0 309.431 2.133 10 30 DEEERN O=C(CN1CC(=O)NC1=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000329502614 296355278 /nfs/dbraw/zinc/35/52/78/296355278.db2.gz YWVBRQWRWSONKP-LLVKDONJSA-N 0 0 321.308 2.388 10 30 DEEERN C#CCCOc1ccc(CNc2ccc(OCCO)nc2)cc1 ZINC000269966504 208015231 /nfs/dbraw/zinc/01/52/31/208015231.db2.gz WGQSZPBEMKIZLO-UHFFFAOYSA-N 0 0 312.369 2.467 10 30 DEEERN CC1(C)CN(C(=O)c2ccc(C#CCO)c(F)c2)CCS1 ZINC000159022291 197320227 /nfs/dbraw/zinc/32/02/27/197320227.db2.gz TYWHAFNYMRWXHV-UHFFFAOYSA-N 0 0 307.390 2.137 10 30 DEEERN CO[C@H](C)CN(C(C)C)S(=O)(=O)c1ccc(C#N)s1 ZINC000435439480 533077528 /nfs/dbraw/zinc/07/75/28/533077528.db2.gz SUFQLZARPZYCTC-SNVBAGLBSA-N 0 0 302.421 2.054 10 30 DEEERN C#CCn1ncc(NC[C@H](C)C(C)C)c(Br)c1=O ZINC000157726976 197210671 /nfs/dbraw/zinc/21/06/71/197210671.db2.gz QUZFIXNXBRVVLV-JTQLQIEISA-N 0 0 312.211 2.343 10 30 DEEERN CC(C)(C)c1ccc([C@@H](O)[C@]2(C#N)CCS(=O)(=O)C2)s1 ZINC000157664994 197205857 /nfs/dbraw/zinc/20/58/57/197205857.db2.gz UCMJDLXUCYPWNT-OCCSQVGLSA-N 0 0 313.444 2.407 10 30 DEEERN N#C[C@]1([C@H](O)c2ccc(C(F)(F)F)cc2)CCS(=O)(=O)C1 ZINC000157642664 197204436 /nfs/dbraw/zinc/20/44/36/197204436.db2.gz FWFMZSRERGZOLV-VXGBXAGGSA-N 0 0 319.304 2.067 10 30 DEEERN N#CC1(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)CCC1 ZINC000157417899 197186681 /nfs/dbraw/zinc/18/66/81/197186681.db2.gz ADJBXWUUNMFUMN-UHFFFAOYSA-N 0 0 321.767 2.034 10 30 DEEERN CCc1nc(CNS(=O)(=O)c2ccccc2C#N)cs1 ZINC000157356385 197182187 /nfs/dbraw/zinc/18/21/87/197182187.db2.gz FDFIQMFYEWIWCG-UHFFFAOYSA-N 0 0 307.400 2.056 10 30 DEEERN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@H]1CCCO1 ZINC000156392772 197109758 /nfs/dbraw/zinc/10/97/58/197109758.db2.gz SUECFGAWJSSPOK-BXKDBHETSA-N 0 0 314.794 2.057 10 30 DEEERN C[C@H](NC(=O)c1ccc(C#N)cn1)c1cn(-c2ccccc2)nn1 ZINC000155514979 197061582 /nfs/dbraw/zinc/06/15/82/197061582.db2.gz FTIXXJJJRSJLCY-LBPRGKRZSA-N 0 0 318.340 2.025 10 30 DEEERN N#Cc1cccc(C(=O)N2CC[C@H](O)[C@H]2Cc2ccccc2)c1 ZINC000503720913 257208172 /nfs/dbraw/zinc/20/81/72/257208172.db2.gz XOLSAGUKVFYWGO-MSOLQXFVSA-N 0 0 306.365 2.376 10 30 DEEERN C[C@@H](C(=O)N1CCCCCc2ccccc21)n1cnc(C#N)n1 ZINC000544032376 285329131 /nfs/dbraw/zinc/32/91/31/285329131.db2.gz QFQKQJXYLUUAMS-ZDUSSCGKSA-N 0 0 309.373 2.470 10 30 DEEERN C[C@H]1CCCN(S(=O)(=O)Nc2cc(N(C)C)ccc2C#N)C1 ZINC000121782166 195345948 /nfs/dbraw/zinc/34/59/48/195345948.db2.gz VZXDRCCITUVLRX-LBPRGKRZSA-N 0 0 322.434 2.013 10 30 DEEERN C[C@@]1(CNC(=O)c2cccc(C#CCCO)c2)CCCS1 ZINC000124560901 195654996 /nfs/dbraw/zinc/65/49/96/195654996.db2.gz YTRMRXFLDWESEO-KRWDZBQOSA-N 0 0 303.427 2.436 10 30 DEEERN N#Cc1cnccc1NCc1ccnc(OCC(F)(F)F)c1 ZINC000545240100 285406696 /nfs/dbraw/zinc/40/66/96/285406696.db2.gz OCTWIGFGQVUWFZ-UHFFFAOYSA-N 0 0 308.263 2.323 10 30 DEEERN O=C(NCc1cncs1)c1ccc(C#CCO)c(Cl)c1 ZINC000128565297 195974664 /nfs/dbraw/zinc/97/46/64/195974664.db2.gz ZBBOCVRIJOXSGH-UHFFFAOYSA-N 0 0 306.774 2.070 10 30 DEEERN C=CCCCNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000350839612 404480723 /nfs/dbraw/zinc/48/07/23/404480723.db2.gz ZSABRBXGYNNGJQ-ZBFHGGJFSA-N 0 0 315.417 2.441 10 30 DEEERN Cc1ccc2c(n1)OCCN2C(=O)[C@H](C)Oc1ccccc1C#N ZINC000180469920 144889672 /nfs/dbraw/zinc/88/96/72/144889672.db2.gz OZVFILDRAKWFAU-ZDUSSCGKSA-N 0 0 323.352 2.455 10 30 DEEERN N#Cc1c(F)cccc1C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000188597221 145014354 /nfs/dbraw/zinc/01/43/54/145014354.db2.gz BCGFGMITOWNUPJ-CYBMUJFWSA-N 0 0 311.316 2.386 10 30 DEEERN CC1(C)NC(=O)N(CCSCc2ccc(C#N)c(F)c2)C1=O ZINC000190898849 145050027 /nfs/dbraw/zinc/05/00/27/145050027.db2.gz CJPFKSGQAMBGHZ-UHFFFAOYSA-N 0 0 321.377 2.261 10 30 DEEERN Cc1noc2ncnc(Nc3cnn(-c4ncccc4C#N)c3)c12 ZINC000192530957 145075216 /nfs/dbraw/zinc/07/52/16/145075216.db2.gz ARZWHGDIVDUJGN-UHFFFAOYSA-N 0 0 318.300 2.122 10 30 DEEERN Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccnc(C#N)c1 ZINC000192715672 145077826 /nfs/dbraw/zinc/07/78/26/145077826.db2.gz KUMRKAAIRTZCET-UHFFFAOYSA-N 0 0 308.341 2.216 10 30 DEEERN CC[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)C[C@@H](C)O1 ZINC000246452759 145103567 /nfs/dbraw/zinc/10/35/67/145103567.db2.gz MVSMHZYTNZQRIQ-BNOWGMLFSA-N 0 0 319.430 2.224 10 30 DEEERN N#Cc1ccsc1C(=O)NC[C@@H](CO)Cc1ccc(F)cc1 ZINC000359470888 147333751 /nfs/dbraw/zinc/33/37/51/147333751.db2.gz GAKGEYJYRZQAOE-LBPRGKRZSA-N 0 0 318.373 2.340 10 30 DEEERN Cc1ccc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)cc1C#N ZINC000375021239 148316944 /nfs/dbraw/zinc/31/69/44/148316944.db2.gz ZWOCGPZJCWYFJA-UHFFFAOYSA-N 0 0 310.328 2.349 10 30 DEEERN Cc1ccc(N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)nc1C#N ZINC000408033378 148556742 /nfs/dbraw/zinc/55/67/42/148556742.db2.gz LIJKLHAXFGZJGY-YSVLISHTSA-N 0 0 301.390 2.018 10 30 DEEERN N#Cc1cccc(C(=O)N[C@H]2CC[C@H](O)CC2)c1Br ZINC000408458946 148608264 /nfs/dbraw/zinc/60/82/64/148608264.db2.gz WEDWYFLCUBPPJM-XYPYZODXSA-N 0 0 323.190 2.354 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC000126772871 401707715 /nfs/dbraw/zinc/70/77/15/401707715.db2.gz LVATVDTUYLFADO-UHFFFAOYSA-N 0 0 321.336 2.474 10 30 DEEERN C#CCOCCC(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000129120036 401798829 /nfs/dbraw/zinc/79/88/29/401798829.db2.gz PNQLVRBBESWGGL-INIZCTEOSA-N 0 0 305.349 2.074 10 30 DEEERN Cc1ccc(S(=O)(=O)O[C@@H]2C[C@H]3C[C@@H]2[C@@H]([N+](=O)[O-])C3)cc1 ZINC000013466730 401800234 /nfs/dbraw/zinc/80/02/34/401800234.db2.gz DBUTUPHCSIRUQR-AHLTXXRQSA-N 0 0 311.359 2.144 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)NC1CCCC1 ZINC000129366021 401802639 /nfs/dbraw/zinc/80/26/39/401802639.db2.gz GVOYNPZLRZKXLS-UHFFFAOYSA-N 0 0 309.373 2.184 10 30 DEEERN C#CCN(CC#C)C(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000075400027 401759122 /nfs/dbraw/zinc/75/91/22/401759122.db2.gz VOFWXDYOUPEWJU-LSDHHAIUSA-N 0 0 318.417 2.165 10 30 DEEERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N(CCC#N)CC1CC1 ZINC000112900655 401761145 /nfs/dbraw/zinc/76/11/45/401761145.db2.gz CUTONKAIQKDHRG-ZDUSSCGKSA-N 0 0 314.389 2.349 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)c3ccc4c(c3)OCO4)C2)cc1 ZINC000130573993 401835570 /nfs/dbraw/zinc/83/55/70/401835570.db2.gz BOFRNTGMTAZNQG-UHFFFAOYSA-N 0 0 322.320 2.190 10 30 DEEERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)CCC#N ZINC000078343098 401847346 /nfs/dbraw/zinc/84/73/46/401847346.db2.gz KKULDPAMCNIUBI-ZFWWWQNUSA-N 0 0 301.390 2.203 10 30 DEEERN C=CC[C@H](C)NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000116852193 401861469 /nfs/dbraw/zinc/86/14/69/401861469.db2.gz QMKVDDHQTDRANS-HOCLYGCPSA-N 0 0 300.402 2.158 10 30 DEEERN C=CC[C@H](C)NC(=O)NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000087107137 401928001 /nfs/dbraw/zinc/92/80/01/401928001.db2.gz FUQULXANWCSIMH-LBPRGKRZSA-N 0 0 315.377 2.040 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)Nc3ccncc3F)C2)cc1 ZINC000133409035 401884770 /nfs/dbraw/zinc/88/47/70/401884770.db2.gz CXTVMPLNRBCQHM-UHFFFAOYSA-N 0 0 312.304 2.387 10 30 DEEERN COC(=O)[C@H](C)CN(Cc1ccccc1)c1cnc(C#N)cn1 ZINC000133512371 401889166 /nfs/dbraw/zinc/88/91/66/401889166.db2.gz JNYLSXASTPXZRF-CYBMUJFWSA-N 0 0 310.357 2.164 10 30 DEEERN CCOC(=O)c1ccc(CNC(=O)c2cc(C#N)cn2C)cc1 ZINC000081050687 401893929 /nfs/dbraw/zinc/89/39/29/401893929.db2.gz NOAZJSLOJYOUQT-UHFFFAOYSA-N 0 0 311.341 2.003 10 30 DEEERN C[C@H](CNC(=O)c1cc(C#N)cn1C)Oc1cccc(F)c1 ZINC000081549018 401896770 /nfs/dbraw/zinc/89/67/70/401896770.db2.gz PYUCVRSJUKPRJJ-LLVKDONJSA-N 0 0 301.321 2.233 10 30 DEEERN CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2Br)C1 ZINC000134665033 401910591 /nfs/dbraw/zinc/91/05/91/401910591.db2.gz UELKARXUUHFTBF-GFCCVEGCSA-N 0 0 322.206 2.426 10 30 DEEERN COC(=O)c1ccc(NC(=O)c2cc(C#N)cn2C)cc1F ZINC000136809289 401974394 /nfs/dbraw/zinc/97/43/94/401974394.db2.gz SAMQWZQMZVJUOV-UHFFFAOYSA-N 0 0 301.277 2.075 10 30 DEEERN CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccnn1C ZINC000046941888 401975778 /nfs/dbraw/zinc/97/57/78/401975778.db2.gz FDNCZVDCUULCQG-UHFFFAOYSA-N 0 0 311.389 2.414 10 30 DEEERN CCOc1cc(I)ccc1OC[C@@H]1CO1 ZINC000142001749 401990228 /nfs/dbraw/zinc/99/02/28/401990228.db2.gz HOWKGDZIICDCAW-VIFPVBQESA-N 0 0 320.126 2.468 10 30 DEEERN Cc1cccn2c1ncc(C(=O)Nc1ccc(F)c(C#N)c1)c2=O ZINC000091046520 401991250 /nfs/dbraw/zinc/99/12/50/401991250.db2.gz FJFYCTMAWBJZSC-UHFFFAOYSA-N 0 0 322.299 2.266 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000135385441 401938356 /nfs/dbraw/zinc/93/83/56/401938356.db2.gz SJXNNTXKSBAKDA-BBRMVZONSA-N 0 0 305.374 2.273 10 30 DEEERN C=C(C)CN(CC)C(=O)CSc1nnnn1-c1ccccc1 ZINC000049514764 402018906 /nfs/dbraw/zinc/01/89/06/402018906.db2.gz BBFSXVXEVTWXQH-UHFFFAOYSA-N 0 0 317.418 2.179 10 30 DEEERN C=CCCCN(C)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000151348089 402031303 /nfs/dbraw/zinc/03/13/03/402031303.db2.gz OZVGHUJKVSXKCK-UHFFFAOYSA-N 0 0 311.407 2.072 10 30 DEEERN C[C@@H]1CN(C(=O)CSCC#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000152266937 402085749 /nfs/dbraw/zinc/08/57/49/402085749.db2.gz UUDFGSJGHIXNHP-RISCZKNCSA-N 0 0 308.378 2.371 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)NCCNC(=O)c1ccccc1 ZINC000058451321 402100895 /nfs/dbraw/zinc/10/08/95/402100895.db2.gz IHOVURJOSQRGAL-UHFFFAOYSA-N 0 0 322.368 2.418 10 30 DEEERN CC[C@@H](C#N)NC(=O)[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000123679566 402141396 /nfs/dbraw/zinc/14/13/96/402141396.db2.gz KJQYRRQXNLLSEU-DZGCQCFKSA-N 0 0 301.390 2.168 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](NC(=O)CCC)C1 ZINC000101563886 402149110 /nfs/dbraw/zinc/14/91/10/402149110.db2.gz FYJWMRZUONCKLN-HOTGVXAUSA-N 0 0 323.481 2.180 10 30 DEEERN COCCCn1c(C)cc(C(=O)Cn2ccnc2C#N)c1C ZINC000123928886 402154743 /nfs/dbraw/zinc/15/47/43/402154743.db2.gz LJSIDVZULGPOQR-UHFFFAOYSA-N 0 0 300.362 2.093 10 30 DEEERN COc1c(C)cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1C ZINC000367380754 286178622 /nfs/dbraw/zinc/17/86/22/286178622.db2.gz VNBLVSJOZGIRHP-MRXNPFEDSA-N 0 0 313.401 2.124 10 30 DEEERN C#CCN(C(=O)N[C@H]1CCCn2nc(CC)nc21)C1CCCC1 ZINC000124510263 402183244 /nfs/dbraw/zinc/18/32/44/402183244.db2.gz OIJHNHWTUXYUKE-AWEZNQCLSA-N 0 0 315.421 2.263 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCO1 ZINC000106330145 402213547 /nfs/dbraw/zinc/21/35/47/402213547.db2.gz OFLFYKOTFRMSIM-GMTAPVOTSA-N 0 0 305.300 2.041 10 30 DEEERN C#CCCCCNC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000155035039 402242468 /nfs/dbraw/zinc/24/24/68/402242468.db2.gz HYBRZUAULOXKLP-CQSZACIVSA-N 0 0 304.394 2.146 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H]1Cn1cccn1 ZINC000069973822 402253644 /nfs/dbraw/zinc/25/36/44/402253644.db2.gz QXJRCWWATPDVPJ-GDBMZVCRSA-N 0 0 324.384 2.213 10 30 DEEERN C=CCCOCCNC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000155467785 402257889 /nfs/dbraw/zinc/25/78/89/402257889.db2.gz KQRDOCOYHIXWNE-CQSZACIVSA-N 0 0 320.414 2.198 10 30 DEEERN CC(=O)c1cccc(OCCCC(=O)N[C@H](C#N)C2CC2)c1 ZINC000108836587 402262656 /nfs/dbraw/zinc/26/26/56/402262656.db2.gz AWLLPZBZDJQLCG-MRXNPFEDSA-N 0 0 300.358 2.467 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCC(C(=O)NCCCOCC)CC1 ZINC000185062035 402321908 /nfs/dbraw/zinc/32/19/08/402321908.db2.gz IMYYPVUMIBIWKX-OAHLLOKOSA-N 0 0 324.465 2.370 10 30 DEEERN C#CCCCNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000176471839 402312462 /nfs/dbraw/zinc/31/24/62/402312462.db2.gz VWFACRXDCPYORS-GFCCVEGCSA-N 0 0 307.344 2.256 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1cccnc1N1CCOCC1 ZINC000185049999 402320091 /nfs/dbraw/zinc/32/00/91/402320091.db2.gz RXLQHWWTHOCWLG-AWEZNQCLSA-N 0 0 303.406 2.137 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cc(OC(F)F)n(C)n1 ZINC000185463613 402354390 /nfs/dbraw/zinc/35/43/90/402354390.db2.gz CUJVWUXWTQXTIK-UHFFFAOYSA-N 0 0 313.226 2.212 10 30 DEEERN CCOC(=O)[C@H]1CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000185898916 402387645 /nfs/dbraw/zinc/38/76/45/402387645.db2.gz WGHPQXXSKIDGFF-OAHLLOKOSA-N 0 0 312.369 2.409 10 30 DEEERN CC(C)n1cc(C#N)c(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)n1 ZINC000161107889 402373233 /nfs/dbraw/zinc/37/32/33/402373233.db2.gz DCISGNVGANRDBS-AWEZNQCLSA-N 0 0 314.320 2.417 10 30 DEEERN Cc1nn(C)c(C)c1CNc1cnn(-c2ncccc2C#N)c1 ZINC000185847019 402381995 /nfs/dbraw/zinc/38/19/95/402381995.db2.gz FBZUGGNHUSAGBK-UHFFFAOYSA-N 0 0 307.361 2.101 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000185845601 402382276 /nfs/dbraw/zinc/38/22/76/402382276.db2.gz DMKSFYCSADIWGS-SECBINFHSA-N 0 0 318.251 2.280 10 30 DEEERN COc1cc(NC(=O)c2cc(C#N)cn2C)ccc1NC(C)=O ZINC000176744255 402332771 /nfs/dbraw/zinc/33/27/71/402332771.db2.gz QYOLXCFSXPHAIQ-UHFFFAOYSA-N 0 0 312.329 2.116 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000177375373 402395275 /nfs/dbraw/zinc/39/52/75/402395275.db2.gz ZFFFYXHDWDHEAV-OAHLLOKOSA-N 0 0 308.385 2.296 10 30 DEEERN CCCCCCCCOCC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000186017794 402396922 /nfs/dbraw/zinc/39/69/22/402396922.db2.gz IODGUKYLYPJFPV-QGZVFWFLSA-N 0 0 313.438 2.381 10 30 DEEERN C#C[C@@H](C)NC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000186031640 402397699 /nfs/dbraw/zinc/39/76/99/402397699.db2.gz NPKBXMUBPYJVIY-CHWSQXEVSA-N 0 0 321.371 2.250 10 30 DEEERN COCc1c(C(=O)N[C@H](C#N)C2CC2)cnn1-c1ccccc1 ZINC000186112427 402402576 /nfs/dbraw/zinc/40/25/76/402402576.db2.gz NVWLRWJXMAPJNL-OAHLLOKOSA-N 0 0 310.357 2.051 10 30 DEEERN Cc1cc(C#N)ccc1CN1CCN(c2ncccc2C#N)CC1 ZINC000186161146 402406458 /nfs/dbraw/zinc/40/64/58/402406458.db2.gz GZQNXWWHXKXLGP-UHFFFAOYSA-N 0 0 317.396 2.456 10 30 DEEERN C=CCN(C1CC1)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000162219050 402414135 /nfs/dbraw/zinc/41/41/35/402414135.db2.gz UHLUGPVFZKYXMZ-UHFFFAOYSA-N 0 0 311.794 2.327 10 30 DEEERN C[C@H](CC#N)NC(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000162290201 402415469 /nfs/dbraw/zinc/41/54/69/402415469.db2.gz JAYGLPBUFVRJIW-AGIUHOORSA-N 0 0 309.410 2.488 10 30 DEEERN N#CCSc1cccc(C(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000177596903 402419094 /nfs/dbraw/zinc/41/90/94/402419094.db2.gz WFNFXQCJSZFRMT-CYBMUJFWSA-N 0 0 313.386 2.159 10 30 DEEERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)n1 ZINC000177766711 402434258 /nfs/dbraw/zinc/43/42/58/402434258.db2.gz MLYQWUCPFRXSQL-UHFFFAOYSA-N 0 0 319.324 2.197 10 30 DEEERN C=CC[C@H](C(=O)NC[C@]1(CCO)CCOC1)c1ccccc1 ZINC000186548834 402441160 /nfs/dbraw/zinc/44/11/60/402441160.db2.gz ZXAPCLUHXWTDPY-WMZOPIPTSA-N 0 0 303.402 2.252 10 30 DEEERN CCCc1nccn1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000163137591 402442186 /nfs/dbraw/zinc/44/21/86/402442186.db2.gz YSCLSWNZFVBRRJ-UHFFFAOYSA-N 0 0 303.387 2.181 10 30 DEEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cccc(C#N)c1C ZINC000178550069 402510522 /nfs/dbraw/zinc/51/05/22/402510522.db2.gz KWCNEEKWMWFLSG-CQSZACIVSA-N 0 0 310.361 2.423 10 30 DEEERN CCO[C@H]1C[C@@H](NC(=O)C#Cc2ccccc2)C12CCOCC2 ZINC000187149310 402485038 /nfs/dbraw/zinc/48/50/38/402485038.db2.gz FHGGROCTEFVFJB-SJORKVTESA-N 0 0 313.397 2.129 10 30 DEEERN Cc1noc(CCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)n1 ZINC000171156831 402562629 /nfs/dbraw/zinc/56/26/29/402562629.db2.gz NGWGSCLLCNJBKA-UHFFFAOYSA-N 0 0 316.365 2.170 10 30 DEEERN N#Cc1ccsc1NC(=O)CN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247945330 402578918 /nfs/dbraw/zinc/57/89/18/402578918.db2.gz HKJZKAXEIKUWFD-XJKSGUPXSA-N 0 0 319.430 2.185 10 30 DEEERN C#CCCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000179344825 402586340 /nfs/dbraw/zinc/58/63/40/402586340.db2.gz DGEKAKATADNFAT-CVEARBPZSA-N 0 0 321.371 2.423 10 30 DEEERN N#C[C@@H](NC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C1CC1 ZINC000171722173 402615139 /nfs/dbraw/zinc/61/51/39/402615139.db2.gz MFWVDTJKJOOQGB-LLVKDONJSA-N 0 0 319.748 2.056 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(Cl)cn1 ZINC000180597599 402621059 /nfs/dbraw/zinc/62/10/59/402621059.db2.gz ULPFZYGQNBYUIY-UHFFFAOYSA-N 0 0 321.789 2.394 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N1CCc2ncnc(OC)c2C1 ZINC000181094457 402634835 /nfs/dbraw/zinc/63/48/35/402634835.db2.gz ZWBYORZWLXUTNS-GFCCVEGCSA-N 0 0 304.394 2.298 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)NC1CCN(c2ncccn2)CC1 ZINC000181375923 402643677 /nfs/dbraw/zinc/64/36/77/402643677.db2.gz AZOBSPQUMZHYPG-CQSZACIVSA-N 0 0 317.437 2.489 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000181864120 402658849 /nfs/dbraw/zinc/65/88/49/402658849.db2.gz QMRRAMQTUVMQFA-UHFFFAOYSA-N 0 0 312.373 2.440 10 30 DEEERN C=C[C@@H](CC(=O)N1CCNC[C@@H]1c1cnn(C)c1)c1ccccc1 ZINC000181448214 402646057 /nfs/dbraw/zinc/64/60/57/402646057.db2.gz NSQIVJLGTOMHTO-MAUKXSAKSA-N 0 0 324.428 2.253 10 30 DEEERN C=C[C@H](CC(=O)N1CCNC[C@@H]1c1cnn(C)c1)c1ccccc1 ZINC000181448173 402646285 /nfs/dbraw/zinc/64/62/85/402646285.db2.gz NSQIVJLGTOMHTO-CRAIPNDOSA-N 0 0 324.428 2.253 10 30 DEEERN COc1ccc(NC(=O)c2c[nH]c(C#N)c2)c(OC)c1OC ZINC000181467405 402646626 /nfs/dbraw/zinc/64/66/26/402646626.db2.gz OXJJFLLTYOPMDA-UHFFFAOYSA-N 0 0 301.302 2.164 10 30 DEEERN N#Cc1cc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)c[nH]1 ZINC000181580987 402651065 /nfs/dbraw/zinc/65/10/65/402651065.db2.gz WMNBMKIMENUTSM-KGLIPLIRSA-N 0 0 305.403 2.013 10 30 DEEERN N#CCCn1ccc(NC(=O)Nc2c[nH]nc2-c2ccccn2)n1 ZINC000181605698 402651733 /nfs/dbraw/zinc/65/17/33/402651733.db2.gz BGVHCLMQKRTTGH-UHFFFAOYSA-N 0 0 322.332 2.226 10 30 DEEERN C=CCNC(=O)CNC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000181644094 402652775 /nfs/dbraw/zinc/65/27/75/402652775.db2.gz TUYVIWFGQYCRGP-CVEARBPZSA-N 0 0 300.402 2.332 10 30 DEEERN C[C@H]1CC(O)C[C@H](C)N1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000191263257 402655726 /nfs/dbraw/zinc/65/57/26/402655726.db2.gz IVZVRMCDKADUHA-QWRGUYRKSA-N 0 0 321.808 2.384 10 30 DEEERN N#CC1(c2ccc(C(=O)N[C@H]3CCCC[C@H]3C(N)=O)cc2)CC1 ZINC000181768009 402656765 /nfs/dbraw/zinc/65/67/65/402656765.db2.gz OFFZKFGSRKWHGZ-CABCVRRESA-N 0 0 311.385 2.016 10 30 DEEERN N#CC1(C(=O)Nc2ncn(C3CCCCC3)n2)CCOCC1 ZINC000182694898 402709236 /nfs/dbraw/zinc/70/92/36/402709236.db2.gz CVCQSWRJGSLLDD-UHFFFAOYSA-N 0 0 303.366 2.042 10 30 DEEERN COC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)c1ccco1 ZINC000173781939 402712386 /nfs/dbraw/zinc/71/23/86/402712386.db2.gz IXKDGYACOCHPEL-OCCSQVGLSA-N 0 0 314.341 2.422 10 30 DEEERN CCC[C@@H]1CN(CC#Cc2ccccc2)CC[N@@H+]1CCOC ZINC000192140298 402714121 /nfs/dbraw/zinc/71/41/21/402714121.db2.gz YCCYBYDSFCWEAI-LJQANCHMSA-N 0 0 300.446 2.471 10 30 DEEERN Cc1cc(N2CC[C@H](Nc3ccc(CC#N)cc3)C2=O)n(C)n1 ZINC000173822613 402714533 /nfs/dbraw/zinc/71/45/33/402714533.db2.gz QULOVYZIIHKASJ-HNNXBMFYSA-N 0 0 309.373 2.012 10 30 DEEERN COc1ccccc1[C@H]1CNCCN1C(=O)c1ccc(C#N)cc1 ZINC000261630749 402714915 /nfs/dbraw/zinc/71/49/15/402714915.db2.gz AZHCODONVJLFJK-QGZVFWFLSA-N 0 0 321.380 2.354 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000253549771 402668476 /nfs/dbraw/zinc/66/84/76/402668476.db2.gz LPCIRNISAVYQIR-JHJVBQTASA-N 0 0 309.410 2.440 10 30 DEEERN C=CCc1cccc(C=NNS(=O)(=O)c2ccccc2)c1O ZINC000254342254 402670609 /nfs/dbraw/zinc/67/06/09/402670609.db2.gz IRUDWQHSQKMGGR-UHFFFAOYSA-N 0 0 316.382 2.433 10 30 DEEERN C=C(C)CN(C)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000182910535 402726328 /nfs/dbraw/zinc/72/63/28/402726328.db2.gz NICJJSMDRXTOMY-OAHLLOKOSA-N 0 0 301.390 2.400 10 30 DEEERN C#CCCCNC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000174102789 402726762 /nfs/dbraw/zinc/72/67/62/402726762.db2.gz GLTLDSZWZSFIGF-UHFFFAOYSA-N 0 0 300.406 2.071 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCC[C@H](C)c1ccc(OC)cc1 ZINC000183599218 402780213 /nfs/dbraw/zinc/78/02/13/402780213.db2.gz OPEAAEWCLFZNIK-DZGCQCFKSA-N 0 0 306.406 2.425 10 30 DEEERN N#Cc1ccc(OCCNC(=O)Cc2n[nH]c3ccccc32)cc1 ZINC000174155559 402728940 /nfs/dbraw/zinc/72/89/40/402728940.db2.gz JLVHRRKJEZFVLE-UHFFFAOYSA-N 0 0 320.352 2.172 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCN(CC)c1ccccc1C ZINC000183077843 402737241 /nfs/dbraw/zinc/73/72/41/402737241.db2.gz CPWAFDKIORBJTR-OAHLLOKOSA-N 0 0 305.422 2.058 10 30 DEEERN N#CC1(c2ccc(C(=O)NC3(C(N)=O)CCCCC3)cc2)CC1 ZINC000183083547 402737865 /nfs/dbraw/zinc/73/78/65/402737865.db2.gz ZDUNDNBUBLGPPZ-UHFFFAOYSA-N 0 0 311.385 2.160 10 30 DEEERN C[C@@H]1COCCN1c1ccc(NC(=O)c2ccnc(C#N)c2)cc1 ZINC000192709977 402745865 /nfs/dbraw/zinc/74/58/65/402745865.db2.gz LUFBXYCYHHYITE-CYBMUJFWSA-N 0 0 322.368 2.431 10 30 DEEERN N#Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)ccn1 ZINC000193597107 402773662 /nfs/dbraw/zinc/77/36/62/402773662.db2.gz RUWNNSZCVMKXGX-UHFFFAOYSA-N 0 0 307.353 2.468 10 30 DEEERN C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183682002 402788801 /nfs/dbraw/zinc/78/88/01/402788801.db2.gz WDXBXUUUISKCKF-IAQYHMDHSA-N 0 0 323.356 2.083 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NCCc2cc(F)ccc2F)cc1 ZINC000175405850 402803779 /nfs/dbraw/zinc/80/37/79/402803779.db2.gz NKDXBXSQSDJGLV-UHFFFAOYSA-N 0 0 322.336 2.357 10 30 DEEERN N#CC1(CS(=O)(=O)NCc2ccc(C(F)F)cc2)CC1 ZINC000184031734 402813257 /nfs/dbraw/zinc/81/32/57/402813257.db2.gz IVYABGSLDFGUSK-UHFFFAOYSA-N 0 0 300.330 2.347 10 30 DEEERN N#Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccn1 ZINC000194977651 402824939 /nfs/dbraw/zinc/82/49/39/402824939.db2.gz YBEYERDSMSUSJM-UHFFFAOYSA-N 0 0 310.332 2.055 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cc[nH]n1 ZINC000175764284 402830456 /nfs/dbraw/zinc/83/04/56/402830456.db2.gz SSGITMGAAXOSBG-UHFFFAOYSA-N 0 0 300.318 2.075 10 30 DEEERN C[C@@H](Oc1cccnc1)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000184335110 402836180 /nfs/dbraw/zinc/83/61/80/402836180.db2.gz FLTRLQZXQMZNGQ-CYBMUJFWSA-N 0 0 323.352 2.010 10 30 DEEERN CCOc1ccc(CN2CCN(c3cnc(C#N)cn3)CC2)cc1 ZINC000264379613 402872963 /nfs/dbraw/zinc/87/29/63/402872963.db2.gz WUYJVTFMVNRURU-UHFFFAOYSA-N 0 0 323.400 2.069 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 ZINC000278905729 402884389 /nfs/dbraw/zinc/88/43/89/402884389.db2.gz QBMSYCPEFYZVDE-DOTOQJQBSA-N 0 0 316.445 2.193 10 30 DEEERN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000271951407 402887513 /nfs/dbraw/zinc/88/75/13/402887513.db2.gz JPHLPMJGLGJGCM-IFMYKAFSSA-N 0 0 316.426 2.223 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1csc(Br)c1 ZINC000273389577 403000284 /nfs/dbraw/zinc/00/02/84/403000284.db2.gz ZZGSEAXJPNGHLO-VIFPVBQESA-N 0 0 319.224 2.247 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNc1ccc(C(=O)OC)c(OC)n1 ZINC000280714156 403029268 /nfs/dbraw/zinc/02/92/68/403029268.db2.gz IAZXCOMTTKVEHT-FZMZJTMJSA-N 0 0 306.362 2.270 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1CCOc2c(CC)cccc21 ZINC000273253865 402987456 /nfs/dbraw/zinc/98/74/56/402987456.db2.gz HNUWOKFDTYGDSD-DZGCQCFKSA-N 0 0 304.390 2.309 10 30 DEEERN C#CCOc1ccccc1CNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000268173184 403057910 /nfs/dbraw/zinc/05/79/10/403057910.db2.gz TZDKWHYONDYGDU-CQSZACIVSA-N 0 0 309.369 2.158 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1ncnn1CCF ZINC000281409346 403067963 /nfs/dbraw/zinc/06/79/63/403067963.db2.gz GSNJDIYRUBNOPM-UHFFFAOYSA-N 0 0 306.297 2.463 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000281564578 403071653 /nfs/dbraw/zinc/07/16/53/403071653.db2.gz UCSSJEHRZUGXTC-WBVHZDCISA-N 0 0 316.401 2.380 10 30 DEEERN Cn1cncc1[C@@H]1C[C@@H](NC(=O)C2(C#N)CCCCC2)CCO1 ZINC000276345381 403165879 /nfs/dbraw/zinc/16/58/79/403165879.db2.gz QUNUTSLHJLWRQO-ZFWWWQNUSA-N 0 0 316.405 2.230 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N(C)Cc1ccccc1 ZINC000282566427 403156669 /nfs/dbraw/zinc/15/66/69/403156669.db2.gz KEEZKYNHCNKZDO-OAHLLOKOSA-N 0 0 314.389 2.188 10 30 DEEERN C=CCC[C@H](c1ccccc1)N1C(=O)N[C@@H](C(=O)OCC)C1=O ZINC000277299980 403203089 /nfs/dbraw/zinc/20/30/89/403203089.db2.gz VEBYVOUEGZJGKM-ZIAGYGMSSA-N 0 0 316.357 2.177 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000283535987 403204461 /nfs/dbraw/zinc/20/44/61/403204461.db2.gz HFDVWFOTLYDTCT-CYBMUJFWSA-N 0 0 306.410 2.331 10 30 DEEERN C=C(Cl)CNC(=O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277349045 403208408 /nfs/dbraw/zinc/20/84/08/403208408.db2.gz GFILQWDSHYTGRK-RKDXNWHRSA-N 0 0 300.708 2.084 10 30 DEEERN C=C(Cn1ncc(C(=O)OCC)c1C(F)F)C(=O)OCC ZINC000276559995 403186405 /nfs/dbraw/zinc/18/64/05/403186405.db2.gz GDYWGNOUWCHGEV-UHFFFAOYSA-N 0 0 302.277 2.117 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCCS(=O)(=O)CCc1ccccc1 ZINC000283305117 403188371 /nfs/dbraw/zinc/18/83/71/403188371.db2.gz NRTXHAZVRIFTHZ-HNNXBMFYSA-N 0 0 323.458 2.362 10 30 DEEERN CC(C)N1C(=O)N[C@@H]2CN(c3ccc(F)cc3C#N)CC[C@@H]21 ZINC000284688866 403271086 /nfs/dbraw/zinc/27/10/86/403271086.db2.gz YREMYCFCOHTMAD-HIFRSBDPSA-N 0 0 302.353 2.078 10 30 DEEERN C=CCCCCNC(=O)C(=O)NCCCc1cccc(F)c1 ZINC000345492267 403354186 /nfs/dbraw/zinc/35/41/86/403354186.db2.gz ZOLYCZGKPGFSJA-UHFFFAOYSA-N 0 0 306.381 2.347 10 30 DEEERN C=CC[C@H](C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccccc1 ZINC000342697376 403312895 /nfs/dbraw/zinc/31/28/95/403312895.db2.gz LPFAOTXRKAJDJD-ZFWWWQNUSA-N 0 0 321.442 2.428 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000342881162 403383172 /nfs/dbraw/zinc/38/31/72/403383172.db2.gz GSIRBBOHOYGYCR-UHFFFAOYSA-N 0 0 313.401 2.170 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N(C)CC(=O)NC(C)C ZINC000293169319 403406539 /nfs/dbraw/zinc/40/65/39/403406539.db2.gz XNEXAJWDKHJGHN-UHFFFAOYSA-N 0 0 321.469 2.404 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCC(C)(C)C(=O)OC ZINC000286911611 403549427 /nfs/dbraw/zinc/54/94/27/403549427.db2.gz FTPKRMCRCBHRGQ-OAHLLOKOSA-N 0 0 316.401 2.119 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCN(C3CC3)CC2)cc1OC ZINC000346260569 403581865 /nfs/dbraw/zinc/58/18/65/403581865.db2.gz WHBRDIXBGMKELK-UHFFFAOYSA-N 0 0 316.401 2.180 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000288014025 403708999 /nfs/dbraw/zinc/70/89/99/403708999.db2.gz CBFXMKWIVHVJLE-RCCFBDPRSA-N 0 0 314.429 2.423 10 30 DEEERN N#Cc1ccc(NCCNc2nnnn2-c2ccccc2)c(F)c1 ZINC000301766576 403675634 /nfs/dbraw/zinc/67/56/34/403675634.db2.gz BQJZFKAYXNBQCP-UHFFFAOYSA-N 0 0 323.335 2.197 10 30 DEEERN COc1cccc(C(=O)NCCNc2cc(C)nc(C)c2C#N)c1 ZINC000301799810 403681712 /nfs/dbraw/zinc/68/17/12/403681712.db2.gz VKQXGAKYWKAIGS-UHFFFAOYSA-N 0 0 324.384 2.421 10 30 DEEERN C=CCO[C@@H]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000302111894 403707823 /nfs/dbraw/zinc/70/78/23/403707823.db2.gz BBGPLWFGGQYYSK-SNVBAGLBSA-N 0 0 316.317 2.025 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000288731239 403762998 /nfs/dbraw/zinc/76/29/98/403762998.db2.gz AYNRWTYGTKDCGB-MRXNPFEDSA-N 0 0 310.397 2.053 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000288055578 403716843 /nfs/dbraw/zinc/71/68/43/403716843.db2.gz FLQMNWVAHXVZRG-MSOLQXFVSA-N 0 0 313.445 2.357 10 30 DEEERN C#CCNC(=O)CNc1nnc(-c2ccccc2Cl)s1 ZINC000302725915 403717064 /nfs/dbraw/zinc/71/70/64/403717064.db2.gz JWKYQNDYCWTZPF-UHFFFAOYSA-N 0 0 306.778 2.020 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCc1cc(C)cc(C)c1 ZINC000288372596 403747984 /nfs/dbraw/zinc/74/79/84/403747984.db2.gz JHRBGNHPAZCVEC-UHFFFAOYSA-N 0 0 302.418 2.387 10 30 DEEERN Cc1c(I)c(-c2ccncc2)nn1CC#N ZINC000409443137 403827000 /nfs/dbraw/zinc/82/70/00/403827000.db2.gz HPDXSFSAFCKUEG-UHFFFAOYSA-N 0 0 324.125 2.382 10 30 DEEERN COc1ccc([C@H](C#N)NC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000409442526 403827032 /nfs/dbraw/zinc/82/70/32/403827032.db2.gz WMAWKTANJQPDFS-HNNXBMFYSA-N 0 0 317.389 2.469 10 30 DEEERN COc1ccc([C@@H](C#N)NC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000409442527 403827090 /nfs/dbraw/zinc/82/70/90/403827090.db2.gz WMAWKTANJQPDFS-OAHLLOKOSA-N 0 0 317.389 2.469 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H](CO)Cc1ccc(OC)c(O)c1 ZINC000344022550 403855619 /nfs/dbraw/zinc/85/56/19/403855619.db2.gz XTPWUVXZTSUSQS-HIFRSBDPSA-N 0 0 321.417 2.270 10 30 DEEERN Cc1noc(CCNc2ncc(Br)cc2C#N)n1 ZINC000295509172 403964206 /nfs/dbraw/zinc/96/42/06/403964206.db2.gz LHXFIPORDASRAX-UHFFFAOYSA-N 0 0 308.139 2.062 10 30 DEEERN C=CCN(CCOC)C(=O)Nc1cc(C)nn1C1CCOCC1 ZINC000361980397 403915744 /nfs/dbraw/zinc/91/57/44/403915744.db2.gz AUDNINBQUAYNDQ-UHFFFAOYSA-N 0 0 322.409 2.209 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NS(=O)(=O)CCCOCc1ccccc1 ZINC000336725383 403916790 /nfs/dbraw/zinc/91/67/90/403916790.db2.gz YJUZVHKEIDXIEC-JKSUJKDBSA-N 0 0 322.430 2.205 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N[C@H](Cc1ccccn1)C(=O)OCC ZINC000362179656 403933314 /nfs/dbraw/zinc/93/33/14/403933314.db2.gz FVPWEFRJXXNSDG-PBHICJAKSA-N 0 0 304.390 2.274 10 30 DEEERN C[N@H+](CCNc1ncc(C#N)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000295456583 403935596 /nfs/dbraw/zinc/93/55/96/403935596.db2.gz HMNVFHNBIMQKSW-UHFFFAOYSA-N 0 0 311.345 2.405 10 30 DEEERN C=CCc1ccc(OCC(=O)N2CCOCC[C@@H]2C)c(OC)c1 ZINC000362233716 403936877 /nfs/dbraw/zinc/93/68/77/403936877.db2.gz CAWDIQDNNSLUJA-AWEZNQCLSA-N 0 0 319.401 2.440 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NCc1ccc(C#N)c(OC)c1 ZINC000362333407 403943715 /nfs/dbraw/zinc/94/37/15/403943715.db2.gz NPLLEQZEHJXOPN-QGZVFWFLSA-N 0 0 302.374 2.412 10 30 DEEERN C#Cc1ccc(CNC(=O)[C@@H](C)OC[C@H]2CCCCO2)cc1 ZINC000295474671 403946170 /nfs/dbraw/zinc/94/61/70/403946170.db2.gz NNOPQHDDDHPVNV-RHSMWYFYSA-N 0 0 301.386 2.258 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](COC)c1cccc(Cl)c1 ZINC000289501170 403981831 /nfs/dbraw/zinc/98/18/31/403981831.db2.gz ZIHCHKIFKSGBLC-KGLIPLIRSA-N 0 0 312.797 2.264 10 30 DEEERN Cc1cc(C(=O)N[C@H]2CCCC[C@H]2n2cc(CO)nn2)c(C)o1 ZINC000328606086 404111821 /nfs/dbraw/zinc/11/18/21/404111821.db2.gz QJUYNTAZINLTCR-LSDHHAIUSA-N 0 0 318.377 2.469 10 30 DEEERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2ccsc2)C1 ZINC000328633126 404119747 /nfs/dbraw/zinc/11/97/47/404119747.db2.gz LTDPDBOKLRMRRY-UHFFFAOYSA-N 0 0 308.403 2.380 10 30 DEEERN C=CCCCC(=O)N1CCC(NC(=O)c2ccccn2)CC1 ZINC000363361290 404156417 /nfs/dbraw/zinc/15/64/17/404156417.db2.gz RHWLDFYVMIIEDK-UHFFFAOYSA-N 0 0 301.390 2.159 10 30 DEEERN C[C@@H]1OCC[C@@H]1NC(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000328918797 404174516 /nfs/dbraw/zinc/17/45/16/404174516.db2.gz BJARNCXTQVJTCD-UHTWSYAYSA-N 0 0 320.393 2.218 10 30 DEEERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)[C@@H]2C[C@]23CCOC3)cn1 ZINC000328941777 404179151 /nfs/dbraw/zinc/17/91/51/404179151.db2.gz FKBSHENCVZDPCG-LBEHMCEESA-N 0 0 318.373 2.303 10 30 DEEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000352176527 404192161 /nfs/dbraw/zinc/19/21/61/404192161.db2.gz QATKZMHDVJAUQN-SNVBAGLBSA-N 0 0 323.336 2.229 10 30 DEEERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000329085069 404224779 /nfs/dbraw/zinc/22/47/79/404224779.db2.gz UCOSGMWLLGKVGY-FQUUOJAGSA-N 0 0 309.410 2.494 10 30 DEEERN C=C[C@H](C)NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000352249398 404245145 /nfs/dbraw/zinc/24/51/45/404245145.db2.gz IZGDADWVQMEZFM-CABZTGNLSA-N 0 0 313.195 2.356 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1cc(C)nc(N2CCCC2)c1 ZINC000290629638 404249415 /nfs/dbraw/zinc/24/94/15/404249415.db2.gz UYMDQKZVBNXPCI-UHFFFAOYSA-N 0 0 309.413 2.269 10 30 DEEERN COC[C@H]1C[C@H](OC)CN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000344653147 404286128 /nfs/dbraw/zinc/28/61/28/404286128.db2.gz URGMJZMPFVIWHT-CVEARBPZSA-N 0 0 314.385 2.118 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)N[C@H](C)c1ccncc1OC ZINC000352325050 404290069 /nfs/dbraw/zinc/29/00/69/404290069.db2.gz MDRBOQHDPIAJNB-QWHCGFSZSA-N 0 0 319.405 2.128 10 30 DEEERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)COc1cccnc1)CC2 ZINC000329412759 404329685 /nfs/dbraw/zinc/32/96/85/404329685.db2.gz FEHHKASEBRTOBL-LBPRGKRZSA-N 0 0 315.377 2.147 10 30 DEEERN COc1cnccc1[C@H](C)NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329428509 404332941 /nfs/dbraw/zinc/33/29/41/404332941.db2.gz JQBIVLYGEBWZNE-CYZMBNFOSA-N 0 0 318.377 2.116 10 30 DEEERN C[C@H]1CC(CNS(=O)(=O)CC2(C#N)CCCC2)C[C@H](C)O1 ZINC000329449896 404340909 /nfs/dbraw/zinc/34/09/09/404340909.db2.gz CJUQRPIFTLWDJY-STQMWFEESA-N 0 0 314.451 2.193 10 30 DEEERN CCC[C@@]1(C)CCCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)C1 ZINC000329371254 404317801 /nfs/dbraw/zinc/31/78/01/404317801.db2.gz IZEVJJIZWNTOBH-LZWOXQAQSA-N 0 0 321.425 2.034 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000355738460 404364572 /nfs/dbraw/zinc/36/45/72/404364572.db2.gz ZVONUSWTRQGXFO-CABCVRRESA-N 0 0 322.449 2.265 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000352434424 404368074 /nfs/dbraw/zinc/36/80/74/404368074.db2.gz VZUWNNJXZSSWLP-KSSFIOAISA-N 0 0 324.465 2.369 10 30 DEEERN O=C(NC1CCN(c2ccccn2)CC1)[C@@H]1C[C@]12CCOC2 ZINC000329634681 404401739 /nfs/dbraw/zinc/40/17/39/404401739.db2.gz XGKWDEAWPVTZIK-YOEHRIQHSA-N 0 0 301.390 2.434 10 30 DEEERN O=C(Nc1cccc(N2CCNC2=O)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000329666639 404414496 /nfs/dbraw/zinc/41/44/96/404414496.db2.gz LALOMGKNKRAZSK-FZMZJTMJSA-N 0 0 300.362 2.450 10 30 DEEERN Cn1c2cc(O)c(NC(=O)[C@@H]3CCCSC3)cc2n(C)c1=O ZINC000329679787 404420034 /nfs/dbraw/zinc/42/00/34/404420034.db2.gz WDDRFFCTUIPNGX-SECBINFHSA-N 0 0 321.402 2.314 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1cnc2onc(C(C)C)c2c1 ZINC000342181924 404426496 /nfs/dbraw/zinc/42/64/96/404426496.db2.gz OIOPPVZYWGQKAP-LLVKDONJSA-N 0 0 303.362 2.261 10 30 DEEERN C[C@H]1C(=O)NCCCN1CC(=O)Nc1nc2c(s1)CCC2 ZINC000329976294 404513098 /nfs/dbraw/zinc/51/30/98/404513098.db2.gz FGROLJFQEAHDER-VIFPVBQESA-N 0 0 308.407 2.271 10 30 DEEERN C=CCOc1cccnc1C(=O)NCc1ccc(CO)c(F)c1 ZINC000342224524 404453221 /nfs/dbraw/zinc/45/32/21/404453221.db2.gz MKPRMGVXLBVNND-UHFFFAOYSA-N 0 0 316.332 2.208 10 30 DEEERN O=C(CCC(=O)N1CCc2cc[nH]c(=O)c2C1)NC1CCCC1 ZINC000330225955 404592800 /nfs/dbraw/zinc/59/28/00/404592800.db2.gz OMAQXRRMGFKZHE-UHFFFAOYSA-N 0 0 317.389 2.351 10 30 DEEERN O=C(NC1CCC(C(=O)N2CCN(C3CC3)CC2)CC1)C1CC1 ZINC000330029923 404531613 /nfs/dbraw/zinc/53/16/13/404531613.db2.gz QVEMUSNHTOXLSN-UHFFFAOYSA-N 0 0 319.449 2.218 10 30 DEEERN C#CCCCCNC(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000365068814 404557254 /nfs/dbraw/zinc/55/72/54/404557254.db2.gz ULHOYPRCTRICRL-OAHLLOKOSA-N 0 0 302.422 2.424 10 30 DEEERN Cc1ccn2cc(CNC(=O)N3CCO[C@H](C4CC4)C3)nc2c1 ZINC000330130250 404559354 /nfs/dbraw/zinc/55/93/54/404559354.db2.gz KIGUNRDHENHEBP-HNNXBMFYSA-N 0 0 314.389 2.168 10 30 DEEERN C#CCOc1ccc(CNC(=O)N[C@@H]2CCOC2(C)C)cc1 ZINC000297641706 404576362 /nfs/dbraw/zinc/57/63/62/404576362.db2.gz CPJLGQDNXBNYFC-OAHLLOKOSA-N 0 0 302.374 2.065 10 30 DEEERN C=CCn1c(C)nnc1SCC(=O)c1cccc(OC)n1 ZINC000351572224 404648970 /nfs/dbraw/zinc/64/89/70/404648970.db2.gz CXGBUBCLHDQXRX-UHFFFAOYSA-N 0 0 304.375 2.151 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(CC=C)CCc1ccco1 ZINC000297886165 404651482 /nfs/dbraw/zinc/65/14/82/404651482.db2.gz VDMAXYNWJDVZHC-UHFFFAOYSA-N 0 0 304.390 2.261 10 30 DEEERN C=C(C)CN(CC)C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000352760054 404600628 /nfs/dbraw/zinc/60/06/28/404600628.db2.gz NGVWFKALOSWQLT-UHFFFAOYSA-N 0 0 305.769 2.354 10 30 DEEERN CCC(=O)N1CSC[C@H]1C(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000330284827 404615006 /nfs/dbraw/zinc/61/50/06/404615006.db2.gz YATNOTAIQKVQLZ-MBNYWOFBSA-N 0 0 314.451 2.316 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H]1CCc2c1cccc2OC ZINC000342619045 404681099 /nfs/dbraw/zinc/68/10/99/404681099.db2.gz FJZHHGBLADQNFZ-HNNXBMFYSA-N 0 0 316.401 2.223 10 30 DEEERN C=CC[C@H](CO)CNC(=O)C(=O)Nc1csc2ccccc12 ZINC000353145700 404754018 /nfs/dbraw/zinc/75/40/18/404754018.db2.gz AAPGJQLFJAGVPI-NSHDSACASA-N 0 0 318.398 2.141 10 30 DEEERN COCc1nc(CNC(=O)N2CCC(C)(C#N)CC2)cs1 ZINC000358287656 404758614 /nfs/dbraw/zinc/75/86/14/404758614.db2.gz CBPLYBJBWIPSRW-UHFFFAOYSA-N 0 0 308.407 2.125 10 30 DEEERN C=C(C)COCCNC(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000359227463 404787575 /nfs/dbraw/zinc/78/75/75/404787575.db2.gz WRYANWREJIEHFE-OAHLLOKOSA-N 0 0 320.437 2.213 10 30 DEEERN N#C[C@H]1CN(Cc2cc3ccccc3[nH]c2=O)CCN1C1CC1 ZINC000360092869 404818158 /nfs/dbraw/zinc/81/81/58/404818158.db2.gz MKIOCCMYLVCLRR-INIZCTEOSA-N 0 0 308.385 2.113 10 30 DEEERN C#Cc1cccc(NC(=O)NCC2(O)Cc3ccccc3C2)c1 ZINC000360554066 404830505 /nfs/dbraw/zinc/83/05/05/404830505.db2.gz XWRCONCWWXGRGM-UHFFFAOYSA-N 0 0 306.365 2.319 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000376934314 404830747 /nfs/dbraw/zinc/83/07/47/404830747.db2.gz RNHRFTLUSVFIKQ-QZTJIDSGSA-N 0 0 312.388 2.350 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCN(CC(F)F)[C@@H](CC)C1 ZINC000353445120 404833212 /nfs/dbraw/zinc/83/32/12/404833212.db2.gz GJTNUJPKNXAKMA-XJKSGUPXSA-N 0 0 318.408 2.403 10 30 DEEERN N#Cc1cnn(-c2ccc(C(=O)N3CCCC34CCC4)cc2)c1N ZINC000366801332 404850012 /nfs/dbraw/zinc/85/00/12/404850012.db2.gz XIPCTZYETHHWRD-UHFFFAOYSA-N 0 0 321.384 2.485 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000361128859 404933668 /nfs/dbraw/zinc/93/36/68/404933668.db2.gz CZQDSHGXGLWBAI-KBPBESRZSA-N 0 0 310.438 2.121 10 30 DEEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCO[C@H](CF)C1 ZINC000424123615 405014351 /nfs/dbraw/zinc/01/43/51/405014351.db2.gz KQMLWFRWWGUCSL-NEPJUHHUSA-N 0 0 312.414 2.207 10 30 DEEERN N#Cc1ccnc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC000436022634 405037696 /nfs/dbraw/zinc/03/76/96/405037696.db2.gz ZEOMTGPAWOMQJU-UHFFFAOYSA-N 0 0 321.296 2.455 10 30 DEEERN N#Cc1cc(CN2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)ccc1F ZINC000408045803 405097134 /nfs/dbraw/zinc/09/71/34/405097134.db2.gz SZXWNUUUAWOLTH-NXHRZFHOSA-N 0 0 318.392 2.449 10 30 DEEERN C=CC(C)(C)CNS(=O)(=O)c1ccc(C(=O)OC)cc1C ZINC000451807007 405045253 /nfs/dbraw/zinc/04/52/53/405045253.db2.gz ANMGGQCGNDUFNN-UHFFFAOYSA-N 0 0 311.403 2.272 10 30 DEEERN C=CCSCCNC(=O)NCc1c2c(nn1C)CCCC2 ZINC000361497017 405101226 /nfs/dbraw/zinc/10/12/26/405101226.db2.gz AWXYMYDCCOTGAO-UHFFFAOYSA-N 0 0 308.451 2.017 10 30 DEEERN N#Cc1cccc2c1CN(C[C@H](O)COCc1ccccc1)C2 ZINC000405067962 405071042 /nfs/dbraw/zinc/07/10/42/405071042.db2.gz ZBMBKTFTMJZREJ-SFHVURJKSA-N 0 0 308.381 2.452 10 30 DEEERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc(C#N)ccn1 ZINC000407994420 405084892 /nfs/dbraw/zinc/08/48/92/405084892.db2.gz BRQYJJWIZFGVDH-OAHLLOKOSA-N 0 0 309.373 2.281 10 30 DEEERN Cc1c(Cl)cnc(N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c1C#N ZINC000408172638 405130530 /nfs/dbraw/zinc/13/05/30/405130530.db2.gz YWEZPADTZOIVAC-NWANDNLSSA-N 0 0 321.808 2.281 10 30 DEEERN N#Cc1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)c[nH]1 ZINC000367626632 405106911 /nfs/dbraw/zinc/10/69/11/405106911.db2.gz POTYMECATCYXSJ-WBVHZDCISA-N 0 0 309.369 2.125 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@@H](C(=O)NCCC)C2)CCOCC1 ZINC000424628648 405132627 /nfs/dbraw/zinc/13/26/27/405132627.db2.gz PZQTTXOUGJUTMN-OAHLLOKOSA-N 0 0 322.449 2.124 10 30 DEEERN C=CCC1(C(=O)NCCCOC[C@@H]2CCCO2)CCOCC1 ZINC000424661758 405142081 /nfs/dbraw/zinc/14/20/81/405142081.db2.gz WSDLMOVFAMALPR-HNNXBMFYSA-N 0 0 311.422 2.061 10 30 DEEERN N#Cc1cccc([C@H]2CN(C(=O)c3cccc(O)c3)CCO2)c1 ZINC000367867641 405179576 /nfs/dbraw/zinc/17/95/76/405179576.db2.gz CREQJNPSLJKPPC-QGZVFWFLSA-N 0 0 308.337 2.478 10 30 DEEERN C=C(C)C(C)(C)C(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C ZINC000424822639 405188848 /nfs/dbraw/zinc/18/88/48/405188848.db2.gz BYEDQOXMUGBAKO-UHFFFAOYSA-N 0 0 303.362 2.123 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(COCCOC)cc1 ZINC000424921254 405213277 /nfs/dbraw/zinc/21/32/77/405213277.db2.gz FLPGETZOYWAVJB-IRXDYDNUSA-N 0 0 319.401 2.171 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000424927337 405213996 /nfs/dbraw/zinc/21/39/96/405213996.db2.gz VVCFKYJRZSKGTF-HNKHHVNMSA-N 0 0 316.357 2.406 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC000424928556 405214615 /nfs/dbraw/zinc/21/46/15/405214615.db2.gz ZSOGIIIDXRJYHX-AAEUAGOBSA-N 0 0 320.345 2.314 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000425429283 405289602 /nfs/dbraw/zinc/28/96/02/405289602.db2.gz YPAKGFZGAUCWED-UGUYLWEFSA-N 0 0 310.438 2.472 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000425429285 405289688 /nfs/dbraw/zinc/28/96/88/405289688.db2.gz YPAKGFZGAUCWED-YHUYYLMFSA-N 0 0 310.438 2.472 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cccc2c1OCC[C@H]2OC ZINC000439405030 405276696 /nfs/dbraw/zinc/27/66/96/405276696.db2.gz BUSAJHDWXIHODD-SMDDNHRTSA-N 0 0 306.362 2.215 10 30 DEEERN C=CC1CCN(Cc2ccc(S(=O)(=O)N(C)C)s2)CC1 ZINC000425400720 405285047 /nfs/dbraw/zinc/28/50/47/405285047.db2.gz GACFJUXTYUQRJB-UHFFFAOYSA-N 0 0 314.476 2.396 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1ccncc1OC ZINC000437868665 405222598 /nfs/dbraw/zinc/22/25/98/405222598.db2.gz LFVLCFIXHHRQMS-XEZPLFJOSA-N 0 0 319.405 2.432 10 30 DEEERN C=C(C)CCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000452718493 405232926 /nfs/dbraw/zinc/23/29/26/405232926.db2.gz PTERZMMGAPVYDQ-RDJZCZTQSA-N 0 0 316.401 2.297 10 30 DEEERN C=C(C)CCNC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000452718004 405232990 /nfs/dbraw/zinc/23/29/90/405232990.db2.gz NOCLGMZIUZSMOC-CYBMUJFWSA-N 0 0 324.446 2.123 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C(=O)OC)ccc1F ZINC000425627823 405308664 /nfs/dbraw/zinc/30/86/64/405308664.db2.gz IYUZARFIQZWXCK-FZMZJTMJSA-N 0 0 322.336 2.325 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)Nc1cc(OC)c(OC)cc1C ZINC000454228118 405313425 /nfs/dbraw/zinc/31/34/25/405313425.db2.gz ADLGCHHDVZRUOS-LBPRGKRZSA-N 0 0 308.378 2.461 10 30 DEEERN CC#CCN(C)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000454255435 405319207 /nfs/dbraw/zinc/31/92/07/405319207.db2.gz CPGLOVQQIQRMLW-UHFFFAOYSA-N 0 0 314.433 2.316 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C(C)C)[C@H](CO)C(C)C ZINC000425872980 405325664 /nfs/dbraw/zinc/32/56/64/405325664.db2.gz JOHPMNKYURBLFG-XUWVNRHRSA-N 0 0 312.454 2.166 10 30 DEEERN C=CCn1c(N(C)[C@@H]2CCSC2)nnc1[C@]1(C)CCCO1 ZINC000453436429 405291429 /nfs/dbraw/zinc/29/14/29/405291429.db2.gz HWYHHZVPWYHICG-DOMZBBRYSA-N 0 0 308.451 2.431 10 30 DEEERN C=CCn1cc(CNC(=O)NCC[C@@H]2CCC[C@H](C)C2)nn1 ZINC000425447616 405292405 /nfs/dbraw/zinc/29/24/05/405292405.db2.gz HAAOKKQUVMFMEW-KBPBESRZSA-N 0 0 305.426 2.480 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1(C(=O)OC)CCCCC1 ZINC000425506784 405299467 /nfs/dbraw/zinc/29/94/67/405299467.db2.gz PORQASGXSKLHJV-KBPBESRZSA-N 0 0 324.421 2.000 10 30 DEEERN C[C@H](COc1ccc(F)cc1F)NC(=O)c1ccc(C#N)n1C ZINC000448784339 405447891 /nfs/dbraw/zinc/44/78/91/405447891.db2.gz SJDXPWZFRYRQAM-SNVBAGLBSA-N 0 0 319.311 2.372 10 30 DEEERN C[C@H]1CN(C(=O)c2ccc(C#N)n2C)C[C@H](c2ccccc2)O1 ZINC000448792149 405448943 /nfs/dbraw/zinc/44/89/43/405448943.db2.gz HQPFRVOLWVBBRL-SUMWQHHRSA-N 0 0 309.369 2.499 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1cn(C)nc1C ZINC000448818825 405451566 /nfs/dbraw/zinc/45/15/66/405451566.db2.gz PPRPAESJBUXAPJ-UHFFFAOYSA-N 0 0 308.385 2.358 10 30 DEEERN Cc1csc(CCCCNC(=O)c2ccc(C#N)n2C)n1 ZINC000448878549 405458554 /nfs/dbraw/zinc/45/85/54/405458554.db2.gz RPVBCADNLFOYKA-UHFFFAOYSA-N 0 0 302.403 2.414 10 30 DEEERN C=CC(C)(C)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)OC ZINC000448919383 405463919 /nfs/dbraw/zinc/46/39/19/405463919.db2.gz AKWQIFVJIBBCMP-CYBMUJFWSA-N 0 0 307.365 2.486 10 30 DEEERN CC#CCCNC(=O)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000458667049 405531892 /nfs/dbraw/zinc/53/18/92/405531892.db2.gz UGSYZKLNGCBBAM-WCQYABFASA-N 0 0 308.403 2.034 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000580092743 405584822 /nfs/dbraw/zinc/58/48/22/405584822.db2.gz PHNJRWXAEKLVIC-UHFFFAOYSA-N 0 0 318.373 2.259 10 30 DEEERN C=CCC(C)(C)CNC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000458812754 405603866 /nfs/dbraw/zinc/60/38/66/405603866.db2.gz RDUGNPQEJFAKAY-INIZCTEOSA-N 0 0 323.481 2.485 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NCCCNc1ccccc1F ZINC000459026142 405700259 /nfs/dbraw/zinc/70/02/59/405700259.db2.gz LWBSVMYLOAPNIM-CABCVRRESA-N 0 0 307.369 2.270 10 30 DEEERN C=CCC(C)(C)CNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000432104910 405722678 /nfs/dbraw/zinc/72/26/78/405722678.db2.gz CENOXADMYIYVAG-AWEZNQCLSA-N 0 0 317.437 2.347 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(S(C)(=O)=O)c(C)o1 ZINC000529523662 405760864 /nfs/dbraw/zinc/76/08/64/405760864.db2.gz AXPDJNDATBLKJD-TXEJJXNPSA-N 0 0 309.387 2.315 10 30 DEEERN C=CCC1(NC(=O)c2cn(C[C@@H]3CCOC3)nn2)CCCCC1 ZINC000529459895 405758811 /nfs/dbraw/zinc/75/88/11/405758811.db2.gz SFJPRIJRBPNRTP-AWEZNQCLSA-N 0 0 318.421 2.323 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCC[C@@H]1CC(=O)c1ccco1 ZINC000450162535 405763054 /nfs/dbraw/zinc/76/30/54/405763054.db2.gz QIKWOJHPGZTLIR-GFCCVEGCSA-N 0 0 311.341 2.367 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Cc2c(C)nn(COCC)c2C)C1 ZINC000633672056 405780272 /nfs/dbraw/zinc/78/02/72/405780272.db2.gz KFAYHZATSIFDTG-OAHLLOKOSA-N 0 0 305.422 2.461 10 30 DEEERN COC(=O)[C@H](NC(=O)Cc1cccc(C#N)c1)C1CCCCC1 ZINC000531038963 405899743 /nfs/dbraw/zinc/89/97/43/405899743.db2.gz MIGYZYPIOIXFTG-QGZVFWFLSA-N 0 0 314.385 2.339 10 30 DEEERN C=CCCO[C@H](C)C(=O)Nc1ccc2[nH]c(C(N)=O)cc2c1 ZINC000633780537 405832422 /nfs/dbraw/zinc/83/24/22/405832422.db2.gz CTHVZBIKAFLSNC-SNVBAGLBSA-N 0 0 301.346 2.187 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1cccc(OCC(N)=O)c1 ZINC000633963289 405932071 /nfs/dbraw/zinc/93/20/71/405932071.db2.gz IPCOOTOQHGRUOB-UHFFFAOYSA-N 0 0 304.390 2.273 10 30 DEEERN C=CCCC(C)(C)CNC(=O)[C@](C)(O)Cn1c(C)cccc1=O ZINC000633965424 405933479 /nfs/dbraw/zinc/93/34/79/405933479.db2.gz SNAAEGNGEQQTIL-GOSISDBHSA-N 0 0 320.433 2.016 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCc2nn(C)c3ccccc23)C1=O ZINC000630979461 405949995 /nfs/dbraw/zinc/94/99/95/405949995.db2.gz SFMTXIBJQOLHGV-CQSZACIVSA-N 0 0 312.373 2.002 10 30 DEEERN C=CCC(C)(C)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000433241009 405905432 /nfs/dbraw/zinc/90/54/32/405905432.db2.gz AODFWCFKZDVRSK-UHFFFAOYSA-N 0 0 318.421 2.483 10 30 DEEERN C=CCC[C@H](CO)NC(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000457609414 405918605 /nfs/dbraw/zinc/91/86/05/405918605.db2.gz SWVXQTSUONIKJV-GFCCVEGCSA-N 0 0 322.796 2.114 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NCc1ccc(OC(C)(C)C)nc1 ZINC000450477967 405919742 /nfs/dbraw/zinc/91/97/42/405919742.db2.gz DAUBALLFCMGRBO-UHFFFAOYSA-N 0 0 312.373 2.399 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000636591450 406021077 /nfs/dbraw/zinc/02/10/77/406021077.db2.gz HHCUNMXLVAHCBU-AWEZNQCLSA-N 0 0 300.402 2.161 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C)CCc1ccco1 ZINC000636472206 405976768 /nfs/dbraw/zinc/97/67/68/405976768.db2.gz XNERJWWBZOEGLB-CYBMUJFWSA-N 0 0 306.406 2.435 10 30 DEEERN CC1CC(C#N)(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)C1 ZINC000531553646 405976773 /nfs/dbraw/zinc/97/67/73/405976773.db2.gz FNFMKEBMQKTIOK-UHFFFAOYSA-N 0 0 317.433 2.177 10 30 DEEERN C=CCC1(C(=O)N2CCC(CCO)(CCO)CC2)CCCC1 ZINC000634109868 406005722 /nfs/dbraw/zinc/00/57/22/406005722.db2.gz LWDKTPDUKALPDW-UHFFFAOYSA-N 0 0 309.450 2.497 10 30 DEEERN C=C[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000461456940 406083140 /nfs/dbraw/zinc/08/31/40/406083140.db2.gz RHZDMKDJENUQJR-XGUBFFRZSA-N 0 0 300.406 2.305 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@@]1(C)CCCS1 ZINC000636794341 406083190 /nfs/dbraw/zinc/08/31/90/406083190.db2.gz GTTLWDUQYAGADD-MRXNPFEDSA-N 0 0 312.479 2.497 10 30 DEEERN C=CCOc1ccc(Cc2nc(CCCCC(N)=O)no2)cc1 ZINC000632195692 406043905 /nfs/dbraw/zinc/04/39/05/406043905.db2.gz YPFNCNZAIZVBQU-UHFFFAOYSA-N 0 0 315.373 2.423 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc2oc(=O)[nH]c21 ZINC000563391780 406060190 /nfs/dbraw/zinc/06/01/90/406060190.db2.gz AQZAMIZCIIVILW-IINYFYTJSA-N 0 0 302.330 2.244 10 30 DEEERN C=CCCn1cc(CN(C)Cc2c(C)nn(CC)c2C)nn1 ZINC000639360845 406064726 /nfs/dbraw/zinc/06/47/26/406064726.db2.gz UKCYVQZBUAPFES-UHFFFAOYSA-N 0 0 302.426 2.319 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)Cc1cccnc1 ZINC000632353780 406103307 /nfs/dbraw/zinc/10/33/07/406103307.db2.gz QFCBECBQONBXJS-UHFFFAOYSA-N 0 0 303.406 2.149 10 30 DEEERN C=C(C)COCCNC(=O)N1CC[C@H](c2ccc(O)cc2)C1 ZINC000636930553 406125672 /nfs/dbraw/zinc/12/56/72/406125672.db2.gz JAOPFENLRFHZKU-HNNXBMFYSA-N 0 0 304.390 2.484 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCCc1ccc(C)cn1 ZINC000636955004 406132852 /nfs/dbraw/zinc/13/28/52/406132852.db2.gz NCRLDBKTRCPUEW-UHFFFAOYSA-N 0 0 317.433 2.157 10 30 DEEERN C=CCN(Cc1cccs1)S(=O)(=O)C[C@H](OC)C1CC1 ZINC000567769779 406137382 /nfs/dbraw/zinc/13/73/82/406137382.db2.gz NWZQBCAXVZQCQN-AWEZNQCLSA-N 0 0 315.460 2.491 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@@H](C)c1cnc(C)s1 ZINC000637000231 406145762 /nfs/dbraw/zinc/14/57/62/406145762.db2.gz UDIQOWODSHGZCL-NSHDSACASA-N 0 0 309.435 2.491 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000637012003 406149655 /nfs/dbraw/zinc/14/96/55/406149655.db2.gz FMSMYIACAYQASA-KGLIPLIRSA-N 0 0 310.438 2.169 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N1CCC(CCO)(CCO)CC1 ZINC000637022803 406153435 /nfs/dbraw/zinc/15/34/35/406153435.db2.gz JIZXKEAWUSMJBV-OAHLLOKOSA-N 0 0 312.454 2.288 10 30 DEEERN CC#CCCNC(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000483424569 406179848 /nfs/dbraw/zinc/17/98/48/406179848.db2.gz WPGLNEYUEGUDQT-UHFFFAOYSA-N 0 0 319.380 2.079 10 30 DEEERN C=CCCCCCNC(=O)N1CCC(CCO)(CCO)CC1 ZINC000637256766 406231544 /nfs/dbraw/zinc/23/15/44/406231544.db2.gz YSSZHVHQAKOUKO-UHFFFAOYSA-N 0 0 312.454 2.289 10 30 DEEERN C=CCC(C)(C)CNC(=O)NCc1nnc(C2CCOCC2)[nH]1 ZINC000637170887 406197881 /nfs/dbraw/zinc/19/78/81/406197881.db2.gz YXEKHYWQQWPXFT-UHFFFAOYSA-N 0 0 321.425 2.100 10 30 DEEERN C=CCCCCCNC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000519420887 406198848 /nfs/dbraw/zinc/19/88/48/406198848.db2.gz SVKZYPKCLKHGIZ-STQMWFEESA-N 0 0 304.456 2.196 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000568357778 406217945 /nfs/dbraw/zinc/21/79/45/406217945.db2.gz KTPSELYZXCQJJD-MPESAESLSA-N 0 0 314.385 2.354 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1COc2cccc(C)c2C1 ZINC000637232528 406222850 /nfs/dbraw/zinc/22/28/50/406222850.db2.gz YGHFPQQMSQXAJN-LZWOXQAQSA-N 0 0 316.401 2.189 10 30 DEEERN C=C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000487381573 406226907 /nfs/dbraw/zinc/22/69/07/406226907.db2.gz USADYYXUZRKCMJ-ZDUSSCGKSA-N 0 0 309.387 2.202 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCCc3c2ccc(=O)n3C)C1 ZINC000637256062 406230229 /nfs/dbraw/zinc/23/02/29/406230229.db2.gz OYKKXAASQYDFDF-UKRRQHHQSA-N 0 0 315.417 2.370 10 30 DEEERN C=CCNC(=O)c1ccccc1N[C@H]1CCN(C2CCC2)C1=O ZINC000634562382 406173516 /nfs/dbraw/zinc/17/35/16/406173516.db2.gz RCXLXLDOKCCWJG-INIZCTEOSA-N 0 0 313.401 2.168 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000637284491 406243183 /nfs/dbraw/zinc/24/31/83/406243183.db2.gz HTHWSLCHINIEAF-KBPBESRZSA-N 0 0 307.438 2.241 10 30 DEEERN COC(=O)c1cccc(Cn2c3ccccc3n(C)c2=O)c1C#N ZINC000535916800 406244671 /nfs/dbraw/zinc/24/46/71/406244671.db2.gz AVHPUKNQXWCSHV-UHFFFAOYSA-N 0 0 321.336 2.047 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCc1ccc(OC(C)C)cc1 ZINC000540606711 406296424 /nfs/dbraw/zinc/29/64/24/406296424.db2.gz NODKCELKUHVCIM-OAHLLOKOSA-N 0 0 306.406 2.253 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cc(N)ccc1F ZINC000633015298 406353605 /nfs/dbraw/zinc/35/36/05/406353605.db2.gz CNCKSTBVTQMYSC-UHFFFAOYSA-N 0 0 307.369 2.455 10 30 DEEERN CC1(C#N)CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 ZINC000540958180 406297497 /nfs/dbraw/zinc/29/74/97/406297497.db2.gz SLYMXHIWGXBHGN-UHFFFAOYSA-N 0 0 310.357 2.030 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N(C)[C@H](C)CN1CCOCC1 ZINC000637622226 406369214 /nfs/dbraw/zinc/36/92/14/406369214.db2.gz ZISVKJKUDWZHQT-OAHLLOKOSA-N 0 0 311.470 2.341 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000637621985 406369661 /nfs/dbraw/zinc/36/96/61/406369661.db2.gz VOGYARRBNUAOQH-AWEZNQCLSA-N 0 0 305.426 2.302 10 30 DEEERN C[C@H](C(=O)Nc1c(F)cccc1NC1CC1)n1cnc(C#N)n1 ZINC000546685618 406373879 /nfs/dbraw/zinc/37/38/79/406373879.db2.gz AADFBHUFBIKIOQ-SECBINFHSA-N 0 0 314.324 2.063 10 30 DEEERN C=CCCCS(=O)(=O)NCCCc1nc(C(C)C)no1 ZINC000489107148 406377666 /nfs/dbraw/zinc/37/76/66/406377666.db2.gz PDZIESURNSAIDX-UHFFFAOYSA-N 0 0 301.412 2.011 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2C[C@H](C)O[C@H]2C)cc1 ZINC000637652105 406380297 /nfs/dbraw/zinc/38/02/97/406380297.db2.gz WCLIQJZRNIUGHI-SLEUVZQESA-N 0 0 317.389 2.290 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cn(C)nc1C1CC1 ZINC000635260286 406479041 /nfs/dbraw/zinc/47/90/41/406479041.db2.gz LSCGKPHDSAZVTI-UHFFFAOYSA-N 0 0 318.421 2.345 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccc(OC)nc1C ZINC000635261134 406479339 /nfs/dbraw/zinc/47/93/39/406479339.db2.gz VULCQWYBNYQQMQ-UHFFFAOYSA-N 0 0 319.405 2.446 10 30 DEEERN COc1cc(C#N)ccc1NC(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000548161889 406487328 /nfs/dbraw/zinc/48/73/28/406487328.db2.gz NIZMZCJDXBQOAZ-SNVBAGLBSA-N 0 0 313.361 2.351 10 30 DEEERN CC(C)[C@@H]1OCCC[C@H]1Nc1nccc(N(C)CCC#N)n1 ZINC000572548982 406689643 /nfs/dbraw/zinc/68/96/43/406689643.db2.gz ZPYXGEOGSFDBPD-HIFRSBDPSA-N 0 0 303.410 2.442 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000573167447 406769549 /nfs/dbraw/zinc/76/95/49/406769549.db2.gz IARPRXFTDHMMSA-LBPRGKRZSA-N 0 0 303.366 2.071 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000573201927 406770731 /nfs/dbraw/zinc/77/07/31/406770731.db2.gz HXTCXQAHVXGHKU-KBPBESRZSA-N 0 0 303.410 2.417 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000574606687 406783971 /nfs/dbraw/zinc/78/39/71/406783971.db2.gz VBZQGMROTVCCMA-YJNKXOJESA-N 0 0 315.369 2.021 10 30 DEEERN CC(C)(C#N)NS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000573435259 406773386 /nfs/dbraw/zinc/77/33/86/406773386.db2.gz JBQXRVLQLXBDAV-UHFFFAOYSA-N 0 0 308.281 2.008 10 30 DEEERN CCOC(=O)Cc1cc(C=O)c(OC(F)(F)F)cc1C#N ZINC000575390785 406808631 /nfs/dbraw/zinc/80/86/31/406808631.db2.gz AJIOOCHQGSXHSF-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN CCOC(=O)Cc1c(C#N)cc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575395400 406808666 /nfs/dbraw/zinc/80/86/66/406808666.db2.gz BGRIXILXKUQVHX-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN COC(=O)Cc1c(OC(F)(F)F)ccc(C#N)c1[N+](=O)[O-] ZINC000575395404 406808897 /nfs/dbraw/zinc/80/88/97/406808897.db2.gz BJHXRJIOXVTPSV-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN CCOC(=O)Cc1ccc([N+](=O)[O-])c(C#N)c1OC(F)(F)F ZINC000575395756 406808985 /nfs/dbraw/zinc/80/89/85/406808985.db2.gz PJWYOWJHPRZOJF-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN CCOc1ccc(N)c(I)c1CC#N ZINC000575717952 406823503 /nfs/dbraw/zinc/82/35/03/406823503.db2.gz MKYIWLPKIFLSPI-UHFFFAOYSA-N 0 0 302.115 2.338 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCCO[C@H]1C(C)C ZINC000575918144 406827104 /nfs/dbraw/zinc/82/71/04/406827104.db2.gz LOSCFKQJRVUOGJ-FZKCQIBNSA-N 0 0 310.438 2.328 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCCO[C@@H]1C(C)C ZINC000575918146 406827305 /nfs/dbraw/zinc/82/73/05/406827305.db2.gz LOSCFKQJRVUOGJ-XUWVNRHRSA-N 0 0 310.438 2.328 10 30 DEEERN C=CC1CCN(c2nnc([C@@H]3COCCO3)n2CC(=C)C)CC1 ZINC000555255731 406838153 /nfs/dbraw/zinc/83/81/53/406838153.db2.gz NCUSSIVJSQPSPD-HNNXBMFYSA-N 0 0 318.421 2.345 10 30 DEEERN C#CC[C@@H](CC)NS(=O)(=O)c1cc(N)c(C)cc1Cl ZINC000129183252 196026725 /nfs/dbraw/zinc/02/67/25/196026725.db2.gz MGTOSMXHEFRPFV-SNVBAGLBSA-N 0 0 300.811 2.311 10 30 DEEERN CC#CC[C@@H](NN)c1ccc(I)cc1 ZINC000129434538 196048439 /nfs/dbraw/zinc/04/84/39/196048439.db2.gz GWYLNEZXRZTQLO-LLVKDONJSA-N 0 0 300.143 2.209 10 30 DEEERN CCCCS(=O)(=O)Nc1ccc(Cl)cc1C#CCO ZINC000131957448 196213715 /nfs/dbraw/zinc/21/37/15/196213715.db2.gz QAAZPMBXTCKHCN-UHFFFAOYSA-N 0 0 301.795 2.226 10 30 DEEERN C=C(C)COCCNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000133046126 196307226 /nfs/dbraw/zinc/30/72/26/196307226.db2.gz CGYRUFNSSODFIR-UHFFFAOYSA-N 0 0 314.794 2.083 10 30 DEEERN N#Cc1cc(Br)ccc1-n1ccc(=O)[nH]c1=S ZINC000133018978 196305221 /nfs/dbraw/zinc/30/52/21/196305221.db2.gz CBBIIGKBVSMKNM-UHFFFAOYSA-N 0 0 308.160 2.155 10 30 DEEERN N#C[C@@]1([C@@H](O)c2c(Cl)cccc2Cl)CCS(=O)(=O)C1 ZINC000134627409 196408301 /nfs/dbraw/zinc/40/83/01/196408301.db2.gz HJRFTHXSYPDQFL-RYUDHWBXSA-N 0 0 320.197 2.355 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000134905926 196429835 /nfs/dbraw/zinc/42/98/35/196429835.db2.gz FVCPZMJDMSDLJY-ABAIWWIYSA-N 0 0 310.419 2.114 10 30 DEEERN CN(C(=O)C#Cc1ccccc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000175147236 224794372 /nfs/dbraw/zinc/79/43/72/224794372.db2.gz DENPYYRVTFIJRQ-SFHVURJKSA-N 0 0 318.376 2.302 10 30 DEEERN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC1(C)CCC1 ZINC000181901952 224908039 /nfs/dbraw/zinc/90/80/39/224908039.db2.gz DSYGVFJHVGIREB-LBPRGKRZSA-N 0 0 315.373 2.222 10 30 DEEERN COCCN(CC(F)F)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188473172 225020862 /nfs/dbraw/zinc/02/08/62/225020862.db2.gz QZPHPDJLPZTDOS-UHFFFAOYSA-N 0 0 308.328 2.330 10 30 DEEERN COc1ccc2c(c1)CCN2C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000192878709 225145546 /nfs/dbraw/zinc/14/55/46/225145546.db2.gz VCWKFRVJIVLCIP-UHFFFAOYSA-N 0 0 321.336 2.095 10 30 DEEERN Cc1nc([C@H](C)NC(=O)c2cn(CC3(C)COC3)nn2)cs1 ZINC000329769004 225926180 /nfs/dbraw/zinc/92/61/80/225926180.db2.gz FCVHHTIHIFCGLL-VIFPVBQESA-N 0 0 321.406 2.145 10 30 DEEERN COC1(CNC(=O)N2CCc3cncnc3C2)CCCCC1 ZINC000330100056 225967940 /nfs/dbraw/zinc/96/79/40/225967940.db2.gz DNSNONHEIOGSIS-UHFFFAOYSA-N 0 0 304.394 2.098 10 30 DEEERN C[C@@](C#N)(NC(=O)CN1CCO[C@H](C2CCCCC2)C1)C1CC1 ZINC000332896777 226100025 /nfs/dbraw/zinc/10/00/25/226100025.db2.gz LQRJXMBTQWZGQO-WMZOPIPTSA-N 0 0 319.449 2.076 10 30 DEEERN N#CC[C@@H]1CC[C@H](NC(=O)C2CN(C(=O)C3CCCCC3)C2)C1 ZINC000333743851 226110298 /nfs/dbraw/zinc/11/02/98/226110298.db2.gz YLMLGBZTPNMWLO-BBRMVZONSA-N 0 0 317.433 2.224 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cc3c(s2)CCC3)CCN1C1CC1 ZINC000370973194 227061760 /nfs/dbraw/zinc/06/17/60/227061760.db2.gz ODPCFRXXGZHMDE-CYBMUJFWSA-N 0 0 301.415 2.049 10 30 DEEERN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCOC[C@H]1C ZINC000291020283 222078442 /nfs/dbraw/zinc/07/84/42/222078442.db2.gz MRMPODFIGWWKHN-CQSZACIVSA-N 0 0 313.405 2.065 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000408340644 227232640 /nfs/dbraw/zinc/23/26/40/227232640.db2.gz OWYMGQLSJXDXRF-HQJQHLMTSA-N 0 0 304.293 2.074 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000408336501 227232882 /nfs/dbraw/zinc/23/28/82/227232882.db2.gz AVVHVWLEVOAUIS-GZMMTYOYSA-N 0 0 302.758 2.450 10 30 DEEERN Cc1nnc(N2CC[C@@H](n3cnc4c3CCCC4)C2)c(C#N)c1C ZINC000299742094 229379567 /nfs/dbraw/zinc/37/95/67/229379567.db2.gz GUWGYCFWDGAZJQ-CQSZACIVSA-N 0 0 322.416 2.492 10 30 DEEERN C[C@@H]1CCOCCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000373485574 287637820 /nfs/dbraw/zinc/63/78/20/287637820.db2.gz QVEVRJUPBOKCPK-SNVBAGLBSA-N 0 0 314.794 2.011 10 30 DEEERN Cc1[nH]nc(NC(=O)[C@@H](C)n2cnc(C#N)n2)c1-c1ccccc1 ZINC000522230228 421820005 /nfs/dbraw/zinc/82/00/05/421820005.db2.gz FCMLHPQPBNWISB-LLVKDONJSA-N 0 0 321.344 2.048 10 30 DEEERN Cc1[nH]nc(NC(=O)[C@H](C)n2cnc(C#N)n2)c1-c1ccccc1 ZINC000522230229 421820091 /nfs/dbraw/zinc/82/00/91/421820091.db2.gz FCMLHPQPBNWISB-NSHDSACASA-N 0 0 321.344 2.048 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000627688175 421848525 /nfs/dbraw/zinc/84/85/25/421848525.db2.gz STHGYOFYYUYCSD-UHFFFAOYSA-N 0 0 324.450 2.493 10 30 DEEERN C[C@H](NC(=O)Cc1cccc(C#N)c1)[C@@H](O)Cc1ccccc1 ZINC000532637464 269875942 /nfs/dbraw/zinc/87/59/42/269875942.db2.gz HYNADTHCXQKMPY-KSSFIOAISA-N 0 0 308.381 2.209 10 30 DEEERN Cc1cc(C#N)cc(NCc2c(Br)cnn2C)n1 ZINC000601219456 422422835 /nfs/dbraw/zinc/42/28/35/422422835.db2.gz LYPLKJQOPNNZIY-UHFFFAOYSA-N 0 0 306.167 2.370 10 30 DEEERN CCCNC(=O)c1cccc(NC(=O)c2cc(C#N)cn2C)c1 ZINC000176722359 266059617 /nfs/dbraw/zinc/05/96/17/266059617.db2.gz MTZNMBUDLVJHBA-UHFFFAOYSA-N 0 0 310.357 2.289 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@@H](CC(=O)OC)c1ccccc1 ZINC000194400778 424876115 /nfs/dbraw/zinc/87/61/15/424876115.db2.gz RASXZDZMOPWPJA-ZFWWWQNUSA-N 0 0 305.374 2.388 10 30 DEEERN CC[C@H](CNc1nc(C)cc(C#N)n1)Oc1cccc(F)c1 ZINC000566026562 424908290 /nfs/dbraw/zinc/90/82/90/424908290.db2.gz WGHVXXGNIUFQQA-CQSZACIVSA-N 0 0 300.337 3.065 10 30 DEEERN C=CCCCCCNC(=O)Nc1nc2nc(C)cc(C)n2n1 ZINC000573980925 424941774 /nfs/dbraw/zinc/94/17/74/424941774.db2.gz FTZJXOILAJTFMT-UHFFFAOYSA-N 0 0 302.382 2.609 10 30 DEEERN C=CCCCN(C)c1nc(N)c2cc(OC)c(OC)cc2n1 ZINC000347050331 425010563 /nfs/dbraw/zinc/01/05/63/425010563.db2.gz MBARIBSDRCZABL-UHFFFAOYSA-N 0 0 302.378 2.632 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1c(C(F)(F)F)nc2ccccn21 ZINC000416194584 424956591 /nfs/dbraw/zinc/95/65/91/424956591.db2.gz DQDSXBUMFDBWNU-SECBINFHSA-N 0 0 313.279 2.020 10 30 DEEERN C=CCC1(C(=O)Nc2n[nH]c3cc(OC)ccc32)CCOCC1 ZINC000424800865 424993744 /nfs/dbraw/zinc/99/37/44/424993744.db2.gz AGVLOMRVUOYGCR-UHFFFAOYSA-N 0 0 315.373 2.883 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1nn(C2CCCCC2)cc1C ZINC000351218541 425036392 /nfs/dbraw/zinc/03/63/92/425036392.db2.gz TWHCLLNYWQMEFC-CYBMUJFWSA-N 0 0 306.410 2.755 10 30 DEEERN Cc1cc(C#N)nc(N2CCC(C#N)(c3ccccn3)CC2)n1 ZINC000376474344 267314090 /nfs/dbraw/zinc/31/40/90/267314090.db2.gz NQBMPKDOIPWCII-UHFFFAOYSA-N 0 0 304.357 2.113 10 30 DEEERN CC(C)c1noc(CCCNC(=O)c2cc(C#N)cs2)n1 ZINC000084184625 267382751 /nfs/dbraw/zinc/38/27/51/267382751.db2.gz CLSUWRHKBGZFTA-UHFFFAOYSA-N 0 0 304.375 2.489 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000048762972 275388323 /nfs/dbraw/zinc/38/83/23/275388323.db2.gz HMSLHOSUSPFOOP-INIZCTEOSA-N 0 0 320.348 2.246 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCCN1C(C)=O ZINC000286079236 277696378 /nfs/dbraw/zinc/69/63/78/277696378.db2.gz ADMCEUYUYWQMPC-ZWKOTPCHSA-N 0 0 312.413 2.138 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)C[C@H]1CCOC[C@H]1OC ZINC000295208637 277697736 /nfs/dbraw/zinc/69/77/36/277697736.db2.gz GENCMTXXBPXFHO-KZNAEPCWSA-N 0 0 315.413 2.179 10 30 DEEERN C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000359257100 277787777 /nfs/dbraw/zinc/78/77/77/277787777.db2.gz UZKFTUUFWMQMLM-MCIONIFRSA-N 0 0 319.453 2.458 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N(C)[C@@H](C)C1CC1 ZINC000290913641 277788464 /nfs/dbraw/zinc/78/84/64/277788464.db2.gz DSEAELFRKVMSET-GXTWGEPZSA-N 0 0 306.410 2.177 10 30 DEEERN C=CCCS(=O)(=O)N1CC[C@@H](C(=O)OC)c2ccccc21 ZINC000153099879 277834981 /nfs/dbraw/zinc/83/49/81/277834981.db2.gz DSOFEIPZYZNBHM-CYBMUJFWSA-N 0 0 309.387 2.059 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)n1nnnc1C(C)(C)C ZINC000349838941 277843259 /nfs/dbraw/zinc/84/32/59/277843259.db2.gz LHCQYJQSQGCVFI-VIFPVBQESA-N 0 0 319.331 2.109 10 30 DEEERN C=CCN1CC(=O)N([C@H](c2ccccc2)[C@@H]2CCOC2)C1=O ZINC000372952285 277857249 /nfs/dbraw/zinc/85/72/49/277857249.db2.gz GWFAGNAZCXURNE-GDBMZVCRSA-N 0 0 300.358 2.214 10 30 DEEERN Cc1cnn(CCN2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000328674130 279033779 /nfs/dbraw/zinc/03/37/79/279033779.db2.gz JOKOOCGWPMPDCU-RDTXWAMCSA-N 0 0 321.384 2.187 10 30 DEEERN C[C@@H]1c2nncn2CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000277021072 279146040 /nfs/dbraw/zinc/14/60/40/279146040.db2.gz ZTLWPDONAFJFDW-GFCCVEGCSA-N 0 0 307.357 2.050 10 30 DEEERN C[C@@H]1CN(C)c2ccccc2CN1S(=O)(=O)CCCCC#N ZINC000081075445 288112253 /nfs/dbraw/zinc/11/22/53/288112253.db2.gz MYZOWSYXRXATBK-CQSZACIVSA-N 0 0 321.446 2.351 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCCCOc1ccc(F)cc1 ZINC000081727038 281606982 /nfs/dbraw/zinc/60/69/82/281606982.db2.gz KUWBISFLFKCHQC-UHFFFAOYSA-N 0 0 301.321 2.235 10 30 DEEERN CCc1n[nH]c(=O)c(C(=O)N2CCC(C)(C#N)CC2)c1CC ZINC000356982564 288655131 /nfs/dbraw/zinc/65/51/31/288655131.db2.gz VEQAOKDFFNMUDG-UHFFFAOYSA-N 0 0 302.378 2.073 10 30 DEEERN C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)O2)[C@@H]1COc2ccccc21 ZINC000328837067 289234070 /nfs/dbraw/zinc/23/40/70/289234070.db2.gz MVHOIKZWSZGVQC-XPCVCDNBSA-N 0 0 302.374 2.328 10 30 DEEERN C[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)CO1 ZINC000248754273 297074530 /nfs/dbraw/zinc/07/45/30/297074530.db2.gz PGENTVVYZJLYON-VBQJREDUSA-N 0 0 313.401 2.163 10 30 DEEERN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000334077551 294691639 /nfs/dbraw/zinc/69/16/39/294691639.db2.gz KDMJMQSEIDQCHG-YGQDSGJMSA-N 0 0 303.406 2.134 10 30 DEEERN N#CC1(c2ccc(C(=O)N3CC[C@@H](N4CCCC4=O)C3)cc2)CC1 ZINC000276704806 294797961 /nfs/dbraw/zinc/79/79/61/294797961.db2.gz LBWSWJISJWIECD-MRXNPFEDSA-N 0 0 323.396 2.079 10 30 DEEERN C[C@@H]1COCC[C@H]1NC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000329138798 297140951 /nfs/dbraw/zinc/14/09/51/297140951.db2.gz SDAIULFUOUCSIP-RGCMKSIDSA-N 0 0 307.394 2.269 10 30 DEEERN Cc1cccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)c1C#N ZINC000246356016 302012475 /nfs/dbraw/zinc/01/24/75/302012475.db2.gz WRZJULXQACFESG-HUUCEWRRSA-N 0 0 320.414 2.199 10 30 DEEERN Cc1cccc2c1OCC[C@H]2NC(=O)N[C@@H]1CCCNC1=O ZINC000329912523 302061114 /nfs/dbraw/zinc/06/11/14/302061114.db2.gz BIOJJKWBFFBTQG-CHWSQXEVSA-N 0 0 303.362 2.441 10 30 DEEERN N#Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000246506349 303183608 /nfs/dbraw/zinc/18/36/08/303183608.db2.gz SLPSMEQISQDHNR-ZIAGYGMSSA-N 0 0 324.377 2.029 10 30 DEEERN C=CCCn1cc(C(=O)N2CC[C@H](c3cc(C)ccn3)C2)nn1 ZINC000574890249 332322636 /nfs/dbraw/zinc/32/26/36/332322636.db2.gz TVYOONBTPXPAON-AWEZNQCLSA-N 0 0 311.389 2.187 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccnc(C)c1Br ZINC000569663267 332655733 /nfs/dbraw/zinc/65/57/33/332655733.db2.gz FDSAEWPAWAPGCT-KOLCDFICSA-N 0 0 311.179 2.104 10 30 DEEERN C=CC1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2F)CC1 ZINC000340033582 333777968 /nfs/dbraw/zinc/77/79/68/333777968.db2.gz ZZCFVQAYLROAPJ-UHFFFAOYSA-N 0 0 312.291 2.467 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)Nc1cn(C)nc1C1CC1 ZINC000361772282 336772324 /nfs/dbraw/zinc/77/23/24/336772324.db2.gz NTXVTEFBQGKJQZ-NSHDSACASA-N 0 0 304.394 2.097 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H]1CCc2cc(N)ccc21 ZINC000582371650 336947532 /nfs/dbraw/zinc/94/75/32/336947532.db2.gz GZNXXQZMGXPUQU-WBMJQRKESA-N 0 0 315.417 2.233 10 30 DEEERN C=CCn1c(N2CCO[C@@H](C(C)C)C2)nnc1[C@]1(C)CCCO1 ZINC000582468745 337093994 /nfs/dbraw/zinc/09/39/94/337093994.db2.gz GCDZSTPOISICST-PBHICJAKSA-N 0 0 320.437 2.351 10 30 DEEERN CCn1cnnc1[C@H]1CCCN(C(=O)C#Cc2ccccc2)C1 ZINC000176254682 337149683 /nfs/dbraw/zinc/14/96/83/337149683.db2.gz NSYUFTFMZPVKRW-INIZCTEOSA-N 0 0 308.385 2.056 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2c(c1)OCCO2 ZINC000582839949 337207586 /nfs/dbraw/zinc/20/75/86/337207586.db2.gz JFUORJIWWTYRPZ-AAEUAGOBSA-N 0 0 304.346 2.170 10 30 DEEERN C=CCNC(=O)CNC(=O)[C@@H](CCc1ccccc1)C(C)C ZINC000498159928 337463860 /nfs/dbraw/zinc/46/38/60/337463860.db2.gz XFIMAYBJTYBCTH-INIZCTEOSA-N 0 0 302.418 2.310 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C ZINC000580438443 337676936 /nfs/dbraw/zinc/67/69/36/337676936.db2.gz VNKXGSRAXRINTR-KKUMJFAQSA-N 0 0 318.421 2.464 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CC[C@@](C)(CC)C1 ZINC000580453590 337677663 /nfs/dbraw/zinc/67/76/63/337677663.db2.gz NVBXLGYALQHDBK-CZUORRHYSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cnn(CCCOC)c1 ZINC000528303986 337801312 /nfs/dbraw/zinc/80/13/12/337801312.db2.gz PVCZGUROZXUMTB-UHFFFAOYSA-N 0 0 305.300 2.110 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1c[nH]c2ccc(OC)cc12 ZINC000516645583 340453326 /nfs/dbraw/zinc/45/33/26/340453326.db2.gz HTCCTVLQLNRFDN-SJCJKPOMSA-N 0 0 314.385 2.426 10 30 DEEERN CC#CCCCC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000185964706 340507019 /nfs/dbraw/zinc/50/70/19/340507019.db2.gz XZSCLXDGVHGQGK-AWEZNQCLSA-N 0 0 311.385 2.095 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Cc2ccccc2)n[nH]1 ZINC000521613476 340526157 /nfs/dbraw/zinc/52/61/57/340526157.db2.gz VCVUXXJTASTDGG-YOEHRIQHSA-N 0 0 311.385 2.321 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cn(C)nc1-c1ccco1 ZINC000529233566 340749327 /nfs/dbraw/zinc/74/93/27/340749327.db2.gz QOCBPQGONYHBEE-AAEUAGOBSA-N 0 0 316.361 2.393 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccsc2)C1=O ZINC000529256240 340750833 /nfs/dbraw/zinc/75/08/33/340750833.db2.gz NHUNAFINYMNWEL-MJBXVCDLSA-N 0 0 304.415 2.097 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000530068468 340778844 /nfs/dbraw/zinc/77/88/44/340778844.db2.gz DWQGHXBOFHWFNK-QLEMLULZSA-N 0 0 319.426 2.377 10 30 DEEERN CCc1ccc(NC(=O)C(=O)N(CCC#N)CC2CC2)cc1F ZINC000132762162 341144922 /nfs/dbraw/zinc/14/49/22/341144922.db2.gz HENAPHVMWFFQME-UHFFFAOYSA-N 0 0 317.364 2.479 10 30 DEEERN C=CCN(Cc1cccs1)S(=O)(=O)c1cnc2n1CCC2 ZINC000547468297 341215613 /nfs/dbraw/zinc/21/56/13/341215613.db2.gz CVCGZNBMNZUXEP-UHFFFAOYSA-N 0 0 323.443 2.268 10 30 DEEERN CC1(C#N)CCN(C(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 ZINC000548176695 341251671 /nfs/dbraw/zinc/25/16/71/341251671.db2.gz GQBPJMTWWKQESK-CYBMUJFWSA-N 0 0 317.393 2.077 10 30 DEEERN C=CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2CCC[C@@H]21 ZINC000564376633 341333582 /nfs/dbraw/zinc/33/35/82/341333582.db2.gz GTSUQNTUMZMJOZ-CABCVRRESA-N 0 0 312.421 2.314 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000566145696 341548993 /nfs/dbraw/zinc/54/89/93/341548993.db2.gz GRTVGESRTUCBLQ-UAGQMJEPSA-N 0 0 315.417 2.474 10 30 DEEERN C=CCN(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000153865590 341580393 /nfs/dbraw/zinc/58/03/93/341580393.db2.gz XRBNOCWEZLHMIC-ZIAGYGMSSA-N 0 0 318.421 2.023 10 30 DEEERN Cc1ccc(CCNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)cn1 ZINC000328620680 341734954 /nfs/dbraw/zinc/73/49/54/341734954.db2.gz HHUKVSFUBWNJCO-GDBMZVCRSA-N 0 0 314.389 2.400 10 30 DEEERN C=CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1 ZINC000576483790 341848868 /nfs/dbraw/zinc/84/88/68/341848868.db2.gz XBRGOFMXEYUAGI-UHFFFAOYSA-N 0 0 308.389 2.349 10 30 DEEERN C=CCCCNC(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 ZINC000577821595 341939997 /nfs/dbraw/zinc/93/99/97/341939997.db2.gz RGKZRKQVEHWZHQ-UHFFFAOYSA-N 0 0 316.361 2.173 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@@H]2c3ccccc3C[C@@H]2C)C1=O ZINC000348612225 341953896 /nfs/dbraw/zinc/95/38/96/341953896.db2.gz PFTXLLZXKHYJIY-CQDKDKBSSA-N 0 0 300.358 2.043 10 30 DEEERN C[C@@H]1CCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)C[C@H]1O ZINC000330029801 533938296 /nfs/dbraw/zinc/93/82/96/533938296.db2.gz QPRRYUFYOVWMNM-GALLPEHLSA-N 0 0 308.422 2.141 10 30 DEEERN COc1ccc(N2CCCN(c3nc(C)cc(C#N)n3)CC2)cc1 ZINC000376109389 534001884 /nfs/dbraw/zinc/00/18/84/534001884.db2.gz BHCISFVZYZOHJQ-UHFFFAOYSA-N 0 0 323.400 2.382 10 30 DEEERN C=CCC1(CNC(=O)C(=O)Nc2ccnn2CCC)CCCC1 ZINC000453980881 534595846 /nfs/dbraw/zinc/59/58/46/534595846.db2.gz ZEMPZMPOQMFATE-UHFFFAOYSA-N 0 0 318.421 2.484 10 30 DEEERN CN(C[C@H]1CCCO1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000160882714 523119597 /nfs/dbraw/zinc/11/95/97/523119597.db2.gz ORSHCOFYYQEWEP-OAHLLOKOSA-N 0 0 302.374 2.353 10 30 DEEERN C=CCCCN(C)C(=O)NCCCc1nnc2ccccn21 ZINC000489539892 534700982 /nfs/dbraw/zinc/70/09/82/534700982.db2.gz ZJNLANXZZFVMEX-UHFFFAOYSA-N 0 0 301.394 2.270 10 30 DEEERN C=CCCCN(C)c1nnc(-c2nnn(C)c2C)n1CC(C)C ZINC000453519852 534714912 /nfs/dbraw/zinc/71/49/12/534714912.db2.gz OUWFNUOFCYQTER-UHFFFAOYSA-N 0 0 317.441 2.440 10 30 DEEERN Cc1nc(-c2ccccn2)sc1C(=O)NC[C@H]1COCCO1 ZINC000328798542 534865665 /nfs/dbraw/zinc/86/56/65/534865665.db2.gz GHVDXBVYQDBTJS-NSHDSACASA-N 0 0 319.386 2.234 10 30 DEEERN CC#CCCCC(=O)N1CCCN(C(=O)c2ccco2)CC1 ZINC000372058543 526291061 /nfs/dbraw/zinc/29/10/61/526291061.db2.gz RXUJQZMOKMEKFZ-UHFFFAOYSA-N 0 0 302.374 2.148 10 30 DEEERN C=CCN(CCOC)C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000191978058 526296307 /nfs/dbraw/zinc/29/63/07/526296307.db2.gz YYSBBQBMVXXFHX-UHFFFAOYSA-N 0 0 320.364 2.227 10 30 DEEERN C=CCN(CCOC)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000190507268 526302034 /nfs/dbraw/zinc/30/20/34/526302034.db2.gz YTLXCBCQKZADDW-UHFFFAOYSA-N 0 0 314.794 2.035 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)NCc1cc(C(N)=O)co1 ZINC000188001590 526354196 /nfs/dbraw/zinc/35/41/96/526354196.db2.gz KPLGYWWWPPTUTI-UHFFFAOYSA-N 0 0 313.357 2.276 10 30 DEEERN CC(C)(C)OC(=O)CCNC(=O)NCC1CCC(C#N)CC1 ZINC000441001273 526356721 /nfs/dbraw/zinc/35/67/21/526356721.db2.gz RYULZJDOQQHRLU-UHFFFAOYSA-N 0 0 309.410 2.347 10 30 DEEERN CC(=O)N(C)c1cccc(NC(=O)NC[C@@]2(C)CCOC2)c1 ZINC000330957816 526478379 /nfs/dbraw/zinc/47/83/79/526478379.db2.gz VYVAUJWBSWOEOC-MRXNPFEDSA-N 0 0 305.378 2.422 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)C2(c3ccc(F)cc3)CC2)C1=O ZINC000337106202 526491006 /nfs/dbraw/zinc/49/10/06/526491006.db2.gz ZSAOZOADJNOMOV-HNNXBMFYSA-N 0 0 316.376 2.103 10 30 DEEERN C=C(C)CN(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO1 ZINC000339016077 526507814 /nfs/dbraw/zinc/50/78/14/526507814.db2.gz FAJBDJXSKDMPOO-ZDUSSCGKSA-N 0 0 301.394 2.465 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000358971134 526513639 /nfs/dbraw/zinc/51/36/39/526513639.db2.gz FMBCLLUNLUEWCH-LBPRGKRZSA-N 0 0 322.380 2.436 10 30 DEEERN C=C(C)CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000354359401 526611300 /nfs/dbraw/zinc/61/13/00/526611300.db2.gz CEGXFKVBUBWSOY-UHFFFAOYSA-N 0 0 316.357 2.061 10 30 DEEERN C=CCNC(=O)[C@@H](C)N1CCCN(c2ccccc2F)CC1 ZINC000375837039 526623720 /nfs/dbraw/zinc/62/37/20/526623720.db2.gz FMQGMCBMZVHVAK-CQSZACIVSA-N 0 0 305.397 2.029 10 30 DEEERN C=C(C)COCCNC(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000435518459 526647256 /nfs/dbraw/zinc/64/72/56/526647256.db2.gz JAWRXHZKSUEVJX-CQSZACIVSA-N 0 0 317.389 2.004 10 30 DEEERN C#CCC(CC#C)C(=O)NC1CCN(C(=O)C(CC)CC)CC1 ZINC000287423347 526673140 /nfs/dbraw/zinc/67/31/40/526673140.db2.gz GCOOXJLXXGQQAV-UHFFFAOYSA-N 0 0 316.445 2.193 10 30 DEEERN C#CCC1(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)CCCCC1 ZINC000373761693 526675504 /nfs/dbraw/zinc/67/55/04/526675504.db2.gz AIBAKYWYNLADAR-RBSFLKMASA-N 0 0 302.418 2.086 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC000338787041 526720757 /nfs/dbraw/zinc/72/07/57/526720757.db2.gz GFUNPQILXSRXPY-CYBMUJFWSA-N 0 0 306.410 2.367 10 30 DEEERN C#CCCNC(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000369287149 526732463 /nfs/dbraw/zinc/73/24/63/526732463.db2.gz FIOQKRYOKMKDAW-CQSZACIVSA-N 0 0 300.358 2.328 10 30 DEEERN C=CCOCCCC(=O)N1CCN(c2cnccc2C)CC1 ZINC000337310152 526732994 /nfs/dbraw/zinc/73/29/94/526732994.db2.gz VXGJRZBJAQQGRU-UHFFFAOYSA-N 0 0 303.406 2.021 10 30 DEEERN C#CCCNC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000369283328 526735741 /nfs/dbraw/zinc/73/57/41/526735741.db2.gz BBAZUDJMDCIFEL-ZDUSSCGKSA-N 0 0 321.371 2.252 10 30 DEEERN C=CCOCCNC(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000378645432 526777567 /nfs/dbraw/zinc/77/75/67/526777567.db2.gz FDMUADGALWKTDU-OAHLLOKOSA-N 0 0 308.353 2.191 10 30 DEEERN C=C(CC)CNC(=O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000411076234 526858380 /nfs/dbraw/zinc/85/83/80/526858380.db2.gz QBHMNXKOQQPLBL-AWEZNQCLSA-N 0 0 304.415 2.284 10 30 DEEERN C=C(CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccccc1 ZINC000288001332 526868917 /nfs/dbraw/zinc/86/89/17/526868917.db2.gz LIBNUSLUMAGLFN-AWEZNQCLSA-N 0 0 314.307 2.409 10 30 DEEERN C=CCOc1ccc(CNc2cnc(OC)c(C(N)=O)c2)cc1 ZINC000338933035 526892570 /nfs/dbraw/zinc/89/25/70/526892570.db2.gz HDXVHLCRRCZSDR-UHFFFAOYSA-N 0 0 313.357 2.366 10 30 DEEERN C=CCOc1cccc(NC(=O)N[C@H](C)Cn2cncn2)c1 ZINC000158490078 526916249 /nfs/dbraw/zinc/91/62/49/526916249.db2.gz CFBSAPHJUMSPPX-GFCCVEGCSA-N 0 0 301.350 2.053 10 30 DEEERN C=CCOc1ccccc1CNC(=O)N1CCNC[C@@](C)(F)C1 ZINC000417602570 526939089 /nfs/dbraw/zinc/93/90/89/526939089.db2.gz VXYJWYAMQPHILU-QGZVFWFLSA-N 0 0 321.396 2.094 10 30 DEEERN C=CC(C)(C)CNC(=O)c1nc2ccc(Br)cn2n1 ZINC000414401993 526955200 /nfs/dbraw/zinc/95/52/00/526955200.db2.gz OYHUOBQGJXQIRH-UHFFFAOYSA-N 0 0 323.194 2.434 10 30 DEEERN C#CCNC(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000371866406 527006254 /nfs/dbraw/zinc/00/62/54/527006254.db2.gz JOYMCMRVUCRUJG-HNNXBMFYSA-N 0 0 314.776 2.494 10 30 DEEERN C=CCC1(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)CCC1 ZINC000191624348 527045663 /nfs/dbraw/zinc/04/56/63/527045663.db2.gz MZBUYMSVRVKZBN-HNNXBMFYSA-N 0 0 303.406 2.165 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@H](C)Cc1cccc(OC)c1 ZINC000341799719 527066522 /nfs/dbraw/zinc/06/65/22/527066522.db2.gz HCYUIVVVUVQKRQ-UKRRQHHQSA-N 0 0 306.406 2.110 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000377310926 527090857 /nfs/dbraw/zinc/09/08/57/527090857.db2.gz NBFKOLMFEKXVKN-ARFHVFGLSA-N 0 0 304.390 2.143 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000184177289 527095345 /nfs/dbraw/zinc/09/53/45/527095345.db2.gz JTPJDFUSUCRZHD-VIFPVBQESA-N 0 0 304.268 2.486 10 30 DEEERN C=CC[C@H](CC)NC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000337104307 527161166 /nfs/dbraw/zinc/16/11/66/527161166.db2.gz YLJXXFLBKYRQNS-JTQLQIEISA-N 0 0 305.769 2.400 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](CO)CC1CCC1 ZINC000287308492 527172200 /nfs/dbraw/zinc/17/22/00/527172200.db2.gz JJOZBJZPVSAURY-QZTJIDSGSA-N 0 0 314.429 2.471 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](O)[C@H](C)CC ZINC000288312367 527172631 /nfs/dbraw/zinc/17/26/31/527172631.db2.gz WYUVMIDNIXPAOS-DJIMGWMZSA-N 0 0 302.418 2.327 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)[C@H](C)Cc1ccc(O)cc1 ZINC000410540827 527173166 /nfs/dbraw/zinc/17/31/66/527173166.db2.gz GNKGUVJTXMRXJU-CQSZACIVSA-N 0 0 318.417 2.206 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cnc(C)s1 ZINC000285286299 527173490 /nfs/dbraw/zinc/17/34/90/527173490.db2.gz JVEDBUAZUVWZNA-CQSZACIVSA-N 0 0 320.439 2.364 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000340340121 527175864 /nfs/dbraw/zinc/17/58/64/527175864.db2.gz YXYKSYPZSHPVIR-LSDHHAIUSA-N 0 0 310.438 2.123 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCc1ccccc1COCC ZINC000340184292 527176576 /nfs/dbraw/zinc/17/65/76/527176576.db2.gz SXNZNDCAISVIMC-UHFFFAOYSA-N 0 0 318.417 2.264 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000338778831 527176786 /nfs/dbraw/zinc/17/67/86/527176786.db2.gz XGXJKMIFVLSAMY-NHYWBVRUSA-N 0 0 322.380 2.305 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)CCOCc1ccccc1 ZINC000288926175 527197364 /nfs/dbraw/zinc/19/73/64/527197364.db2.gz XVZVBBSLKFTDOF-GOEBONIOSA-N 0 0 306.406 2.218 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(N(C(C)=O)C2CC2)cc1 ZINC000297432230 527202623 /nfs/dbraw/zinc/20/26/23/527202623.db2.gz PDTBGCREKAYXHO-CQSZACIVSA-N 0 0 317.389 2.260 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000358967943 527206783 /nfs/dbraw/zinc/20/67/83/527206783.db2.gz AEGDKALQJYKFSS-NSHDSACASA-N 0 0 308.353 2.094 10 30 DEEERN C=CC[C@H](CO)Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000320529229 527212309 /nfs/dbraw/zinc/21/23/09/527212309.db2.gz PNQIYUNEQQDPSS-MRVPVSSYSA-N 0 0 316.155 2.410 10 30 DEEERN C=CCCCNC(=O)NCc1ncn(Cc2cccc(F)c2)n1 ZINC000448000080 527221106 /nfs/dbraw/zinc/22/11/06/527221106.db2.gz OMHDDBWKGIHBSW-UHFFFAOYSA-N 0 0 317.368 2.231 10 30 DEEERN C=CC[C@H]1N(C(=O)C(=O)N(C)C[C@@H]2CCCO2)CCCC1(C)C ZINC000411002590 527223139 /nfs/dbraw/zinc/22/31/39/527223139.db2.gz KHRWQFQPPVZWIT-LSDHHAIUSA-N 0 0 322.449 2.217 10 30 DEEERN CC(=O)c1ccc(C#N)c(NC[C@@H](C)N2CCOC[C@H]2C)c1 ZINC000302040683 527225517 /nfs/dbraw/zinc/22/55/17/527225517.db2.gz RLLCMBFTGKOQBI-CHWSQXEVSA-N 0 0 301.390 2.282 10 30 DEEERN C=CCCCNC(=O)[C@](N)(c1ccccc1OC)C(F)(F)F ZINC000448526171 527226906 /nfs/dbraw/zinc/22/69/06/527226906.db2.gz XMLNMPTZJLOLDZ-CQSZACIVSA-N 0 0 316.323 2.494 10 30 DEEERN C=CCCCNS(=O)(=O)c1ccc(C2(C(=O)OC)CC2)cc1 ZINC000447863259 527233845 /nfs/dbraw/zinc/23/38/45/527233845.db2.gz LKVHRMYSWMIWDQ-UHFFFAOYSA-N 0 0 323.414 2.136 10 30 DEEERN C=CCCCS(=O)(=O)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000292537598 527240246 /nfs/dbraw/zinc/24/02/46/527240246.db2.gz JGUDSSYCMWWLEC-ZDUSSCGKSA-N 0 0 324.450 2.088 10 30 DEEERN C=CCCCS(=O)(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000292586479 527244998 /nfs/dbraw/zinc/24/49/98/527244998.db2.gz MERYZHYNCNOHLV-CQSZACIVSA-N 0 0 324.446 2.160 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC[C@H](COC)CC1 ZINC000422316709 527253356 /nfs/dbraw/zinc/25/33/56/527253356.db2.gz CZLRMWVJOCCFDR-CABCVRRESA-N 0 0 310.438 2.123 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC000337864406 527281166 /nfs/dbraw/zinc/28/11/66/527281166.db2.gz PCMITWKZMMLUSO-MRXNPFEDSA-N 0 0 300.362 2.341 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N(CCO)Cc1ccnn1CC ZINC000354262775 527286162 /nfs/dbraw/zinc/28/61/62/527286162.db2.gz VLVMUXLITRQOEE-AWEZNQCLSA-N 0 0 308.426 2.152 10 30 DEEERN C=CCn1c(S[C@H]2CCNC2=O)nnc1-c1ccc(F)cc1 ZINC000431246992 527346829 /nfs/dbraw/zinc/34/68/29/527346829.db2.gz KCWGXLLYYFCQAO-LBPRGKRZSA-N 0 0 318.377 2.251 10 30 DEEERN C=CCCOCCNC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000127027045 527351942 /nfs/dbraw/zinc/35/19/42/527351942.db2.gz KAXZCQQNRAFNHR-HNNXBMFYSA-N 0 0 308.378 2.264 10 30 DEEERN C=CCCOCCNC(=O)N1CCOc2cccc(F)c2C1 ZINC000370020584 527351978 /nfs/dbraw/zinc/35/19/78/527351978.db2.gz OBESURDMXHWJPA-UHFFFAOYSA-N 0 0 308.353 2.322 10 30 DEEERN C=CCCOCCNC(=O)NCC[C@@H]1C(=O)Nc2ccccc21 ZINC000178923949 527353770 /nfs/dbraw/zinc/35/37/70/527353770.db2.gz GFZNLOCVMDMCGG-AWEZNQCLSA-N 0 0 317.389 2.004 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@H](C)c1nnc2n1CCCCC2 ZINC000345633491 527383369 /nfs/dbraw/zinc/38/33/69/527383369.db2.gz NCUNWHHYFIFNOW-OLZOCXBDSA-N 0 0 306.410 2.163 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CCC[C@](CC)(CO)C2)cc1 ZINC000297518306 527435568 /nfs/dbraw/zinc/43/55/68/527435568.db2.gz HKHWEUIBLNRCPK-SFHVURJKSA-N 0 0 300.402 2.362 10 30 DEEERN C#Cc1ccccc1CC(=O)N1CCCC[C@@H]1CC(=O)NCC ZINC000292401406 527461065 /nfs/dbraw/zinc/46/10/65/527461065.db2.gz SAPKYZNUCLNWOD-QGZVFWFLSA-N 0 0 312.413 2.118 10 30 DEEERN C#Cc1ccccc1CC(=O)N1CC[C@@H](C(N)=O)c2ccccc21 ZINC000368260732 527462223 /nfs/dbraw/zinc/46/22/23/527462223.db2.gz RRTVCELAQYIRPF-QGZVFWFLSA-N 0 0 318.376 2.216 10 30 DEEERN C#Cc1ccccc1CC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000292673689 527462265 /nfs/dbraw/zinc/46/22/65/527462265.db2.gz BEQZTKRLNIHNHZ-BQFCYCMXSA-N 0 0 311.381 2.011 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccnc1OCC(C)C ZINC000424929934 527497956 /nfs/dbraw/zinc/49/79/56/527497956.db2.gz CQZVMQOVQWZKCY-ZFWWWQNUSA-N 0 0 304.390 2.437 10 30 DEEERN C=CCN(C(=O)C(=O)Nc1cccc(N(C)C)c1C)C1CC1 ZINC000442408975 527531774 /nfs/dbraw/zinc/53/17/74/527531774.db2.gz QSJIJRPTQOUWAC-UHFFFAOYSA-N 0 0 301.390 2.177 10 30 DEEERN CC(=O)NC[C@H]1CCN(C(=O)c2ccc3nsnc3c2)C1 ZINC000329187256 527543154 /nfs/dbraw/zinc/54/31/54/527543154.db2.gz QBTGMCUYFNTZCT-SNVBAGLBSA-N 0 0 304.375 2.130 10 30 DEEERN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[C@H]2C#N)C1 ZINC000408335052 527573846 /nfs/dbraw/zinc/57/38/46/527573846.db2.gz SGHBXOLCHLUINF-IHRRRGAJSA-N 0 0 305.422 2.080 10 30 DEEERN C=C[C@](C)(CC)c1nc(-c2ccnc(S(C)(=O)=O)c2)no1 ZINC000289042699 527614549 /nfs/dbraw/zinc/61/45/49/527614549.db2.gz XODLQVRYBJQNHW-CQSZACIVSA-N 0 0 307.375 2.389 10 30 DEEERN C=C[C@](C)(CCOC)c1nc(-c2ccc(CC(N)=O)cc2)no1 ZINC000346787486 527622924 /nfs/dbraw/zinc/62/29/24/527622924.db2.gz FEVJBBPOZMJIFJ-QGZVFWFLSA-N 0 0 315.373 2.245 10 30 DEEERN C=CCN(CC=C)C(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC000417479512 527625522 /nfs/dbraw/zinc/62/55/22/527625522.db2.gz AXOAGSKRLAEIDX-HNNXBMFYSA-N 0 0 301.346 2.117 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCC[C@@H]1COc1cccnc1C ZINC000416357326 527627179 /nfs/dbraw/zinc/62/71/79/527627179.db2.gz DFMAYEFZTZPKQG-PBHICJAKSA-N 0 0 304.390 2.087 10 30 DEEERN CC(C)c1cnc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)s1 ZINC000377276854 528221893 /nfs/dbraw/zinc/22/18/93/528221893.db2.gz IVOUWCVUABTYDH-GFCCVEGCSA-N 0 0 319.434 2.471 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCO[C@@H](c2ccsc2)C1 ZINC000246437986 528623859 /nfs/dbraw/zinc/62/38/59/528623859.db2.gz DOHFRSSZUWBNSH-DZGCQCFKSA-N 0 0 321.446 2.130 10 30 DEEERN CCOC(=O)CC[C@@H](C)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188945625 528745098 /nfs/dbraw/zinc/74/50/98/528745098.db2.gz ZJQYQXPVPIVWJY-CYBMUJFWSA-N 0 0 314.385 2.438 10 30 DEEERN CC(=O)Nc1ccc(CC(=O)N2CC3(C2)CCCOC3)cc1 ZINC000329310159 528747595 /nfs/dbraw/zinc/74/75/95/528747595.db2.gz CDZBNKYUDRQDEL-UHFFFAOYSA-N 0 0 302.374 2.476 10 30 DEEERN CC(C)[C@@H]1C[C@@H](CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCO1 ZINC000370069791 528755595 /nfs/dbraw/zinc/75/55/95/528755595.db2.gz KJQFREYNDDGZCO-XIRDDKMYSA-N 0 0 319.449 2.026 10 30 DEEERN CC[C@@H]1CCCC[C@H]1OCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000376370685 529290892 /nfs/dbraw/zinc/29/08/92/529290892.db2.gz RMUIHHQTZUGOBT-HYVNUMGLSA-N 0 0 319.449 2.171 10 30 DEEERN CCCNC(=O)c1cccc(NC(=O)c2ccnc(C#N)c2)c1 ZINC000192697126 535152954 /nfs/dbraw/zinc/15/29/54/535152954.db2.gz TTWFIXBXMZSJGR-UHFFFAOYSA-N 0 0 308.341 2.345 10 30 DEEERN Cc1cc([N+](=O)[O-])ccc1C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000102122919 649936515 /nfs/dbraw/zinc/93/65/15/649936515.db2.gz LLUUAVMJPCFYCC-CYBMUJFWSA-N 0 0 324.296 2.259 10 30 DEEERN C=CC1CCN(CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)CC1 ZINC000255601732 625423325 /nfs/dbraw/zinc/42/33/25/625423325.db2.gz IHRRXOBIGGDZPP-ZDUSSCGKSA-N 0 0 302.422 2.113 10 30 DEEERN C#CCOc1ccccc1NC(=O)CNC(=O)c1ccccc1C ZINC000187204102 622733858 /nfs/dbraw/zinc/73/38/58/622733858.db2.gz DZYDKIITMVHPGW-UHFFFAOYSA-N 0 0 322.364 2.376 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)Nc1nc2c(cnn2C)c(=O)[nH]1 ZINC000804810589 623251486 /nfs/dbraw/zinc/25/14/86/623251486.db2.gz WXYCSYTYZIZJGZ-ZDUSSCGKSA-N 0 0 307.357 2.115 10 30 DEEERN C=CCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1C ZINC000255091733 623433717 /nfs/dbraw/zinc/43/37/17/623433717.db2.gz CPJLHWMFYNAUBI-CYBMUJFWSA-N 0 0 317.414 2.249 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000176189076 624678935 /nfs/dbraw/zinc/67/89/35/624678935.db2.gz DGRJHXJLQNQJCG-UHFFFAOYSA-N 0 0 309.369 2.411 10 30 DEEERN C#C[C@H](OC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)C1CC1 ZINC000152705636 624902239 /nfs/dbraw/zinc/90/22/39/624902239.db2.gz ICHXRMHPIKDMIH-GJZGRUSLSA-N 0 0 317.410 2.237 10 30 DEEERN C#CC[C@@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(C)C ZINC000177723399 625072743 /nfs/dbraw/zinc/07/27/43/625072743.db2.gz WAIHEDNDJMTVCJ-UKRRQHHQSA-N 0 0 303.358 2.219 10 30 DEEERN Cn1nccc1CCC(=O)[C@@H](C#N)c1nc2ccccc2n1C ZINC000122685354 625119772 /nfs/dbraw/zinc/11/97/72/625119772.db2.gz XSPADIJUXHUIAI-CYBMUJFWSA-N 0 0 307.357 2.116 10 30 DEEERN COc1cccc(/C=N\[C@H]2CCCN(c3ncccn3)C2)c1O ZINC000255573046 625186781 /nfs/dbraw/zinc/18/67/81/625186781.db2.gz GHAWYADQLKBEHF-GNKPEBMXSA-N 0 0 312.373 2.279 10 30 DEEERN C#CCOc1ccc(/C=C2/SC(=N)NC2=O)cc1OCC ZINC000733781186 633283476 /nfs/dbraw/zinc/28/34/76/633283476.db2.gz KCUJUNNCKBRVAX-UKTHLTGXSA-N 0 0 302.355 2.236 10 30 DEEERN C#CCOc1ccc(/C=C2\SC(=N)NC2=O)cc1OCC ZINC000733781183 633283855 /nfs/dbraw/zinc/28/38/55/633283855.db2.gz KCUJUNNCKBRVAX-LCYFTJDESA-N 0 0 302.355 2.236 10 30 DEEERN C=C(COC(=O)c1c(Cl)ccc(OC)c1N)C(=O)OCC ZINC000734029906 633312950 /nfs/dbraw/zinc/31/29/50/633312950.db2.gz NNWUXSKKTBIZMC-UHFFFAOYSA-N 0 0 313.737 2.207 10 30 DEEERN C=C(COC(=O)c1ccc(F)c(NC(C)=O)c1)C(=O)OCC ZINC000734028261 633313195 /nfs/dbraw/zinc/31/31/95/633313195.db2.gz IBZCQFGJHMSUOA-UHFFFAOYSA-N 0 0 309.293 2.060 10 30 DEEERN C=C(COC(=O)c1ccc(C(F)(F)F)cn1)C(=O)OCC ZINC000734025113 633317853 /nfs/dbraw/zinc/31/78/53/633317853.db2.gz BKEIFRAMXVJVPZ-UHFFFAOYSA-N 0 0 303.236 2.377 10 30 DEEERN C=CC[C@H](NC(=O)[C@@H]1CSCN1C(=O)CC)c1ccncc1 ZINC000734458371 633375506 /nfs/dbraw/zinc/37/55/06/633375506.db2.gz XYUQMPCXSPSCBI-KBPBESRZSA-N 0 0 319.430 2.127 10 30 DEEERN CC(C)[C@@H]1NC(=O)N(Cc2cc(Cl)ccc2OCC#N)C1=O ZINC000735303598 633499634 /nfs/dbraw/zinc/49/96/34/633499634.db2.gz XEBGUKVXPXUOEN-ZDUSSCGKSA-N 0 0 321.764 2.319 10 30 DEEERN C=C(Cl)CNC(=O)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000736399735 633618397 /nfs/dbraw/zinc/61/83/97/633618397.db2.gz BALJAKZSSRHMMM-UHFFFAOYSA-N 0 0 301.818 2.029 10 30 DEEERN CN(CC1CC1)C(=O)CON=Cc1c(Cl)nc2ccccn21 ZINC000736609622 633664537 /nfs/dbraw/zinc/66/45/37/633664537.db2.gz AKEJZOYISMIQPZ-UHFFFAOYSA-N 0 0 320.780 2.207 10 30 DEEERN N#C[C@H]1CN(C(=O)c2cnc3ccsc3c2)CCN1C1CC1 ZINC000741928433 633759046 /nfs/dbraw/zinc/75/90/46/633759046.db2.gz PDELMUYNDPYLBE-ZDUSSCGKSA-N 0 0 312.398 2.109 10 30 DEEERN C=C(C)[C@@H]1CC=C(COC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000747175603 636426686 /nfs/dbraw/zinc/42/66/86/636426686.db2.gz CBDHIGUYINKBBJ-GFCCVEGCSA-N 0 0 306.322 2.032 10 30 DEEERN C#Cc1cccc(NC(=S)Nc2cnn(-c3ncccn3)c2)c1 ZINC000737459956 637323604 /nfs/dbraw/zinc/32/36/04/637323604.db2.gz KXYIXZQQOKDENO-UHFFFAOYSA-N 0 0 320.381 2.453 10 30 DEEERN CC[S@](=O)CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000741421465 637981022 /nfs/dbraw/zinc/98/10/22/637981022.db2.gz QMBGYKVSPMVBPW-QFIPXVFZSA-N 0 0 319.430 2.001 10 30 DEEERN Cc1nonc1COC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000741441059 637981937 /nfs/dbraw/zinc/98/19/37/637981937.db2.gz RYOSQCJUUNLQKI-OAHLLOKOSA-N 0 0 315.329 2.397 10 30 DEEERN N#CCn1cc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)cn1 ZINC000741679183 638002206 /nfs/dbraw/zinc/00/22/06/638002206.db2.gz MKCFUTRPODQGEQ-AAEUAGOBSA-N 0 0 302.284 2.427 10 30 DEEERN C#Cc1ccc(C(=O)NC[C@@H](C(=O)OCC)c2ccccc2)cn1 ZINC000742111655 638036139 /nfs/dbraw/zinc/03/61/39/638036139.db2.gz VMQBVZMEOGHNLN-QGZVFWFLSA-N 0 0 322.364 2.140 10 30 DEEERN CC(=NOCCOCCOc1ccccc1)c1cnn(C)c1 ZINC000742357057 638062120 /nfs/dbraw/zinc/06/21/20/638062120.db2.gz NJMJZXJAGSPKRL-UHFFFAOYSA-N 0 0 303.362 2.256 10 30 DEEERN C=CCOc1ccc(OC(=O)[C@@]23CCC(=O)N2CCS3)cc1 ZINC000742862039 638102403 /nfs/dbraw/zinc/10/24/03/638102403.db2.gz MVTJNBZVFXKDME-INIZCTEOSA-N 0 0 319.382 2.222 10 30 DEEERN C=C(C)CCOC(=O)c1cnn(-c2ccc(OCC)nn2)c1C ZINC000744304024 638207925 /nfs/dbraw/zinc/20/79/25/638207925.db2.gz LKEKNLHZUGXMML-UHFFFAOYSA-N 0 0 316.361 2.492 10 30 DEEERN CCc1cc(NCc2ccc(OC)c(C#N)c2)n2ncnc2n1 ZINC000746704491 638371551 /nfs/dbraw/zinc/37/15/51/638371551.db2.gz AGAINRUAHXHALP-UHFFFAOYSA-N 0 0 308.345 2.179 10 30 DEEERN COc1ccc(CNC(=O)c2cccc3c2OCO3)cc1C#N ZINC000747064229 638403452 /nfs/dbraw/zinc/40/34/52/638403452.db2.gz KGGOYJATLNHZOC-UHFFFAOYSA-N 0 0 310.309 2.226 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccnn1C ZINC000747259818 638423781 /nfs/dbraw/zinc/42/37/81/638423781.db2.gz ZCTDWYGYPARZMS-MRXNPFEDSA-N 0 0 313.357 2.439 10 30 DEEERN COc1ccc(CNC(=O)NCCCC(C)(C)CO)cc1C#N ZINC000747415152 638435565 /nfs/dbraw/zinc/43/55/65/638435565.db2.gz GXKHOZCGFQHOST-UHFFFAOYSA-N 0 0 319.405 2.165 10 30 DEEERN CCC[C@@H](CCO)CNC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747431364 638436647 /nfs/dbraw/zinc/43/66/47/638436647.db2.gz RBPZJBNEBFLEDQ-ZDUSSCGKSA-N 0 0 319.405 2.165 10 30 DEEERN COc1ccc(CNC(=O)CNc2ccc(C#N)cc2)cc1C#N ZINC000747443798 638437430 /nfs/dbraw/zinc/43/74/30/638437430.db2.gz LDCLHGIMWYPXIO-UHFFFAOYSA-N 0 0 320.352 2.167 10 30 DEEERN COc1ccc(CNC(=O)c2cccc3nccn32)cc1C#N ZINC000747446777 638438734 /nfs/dbraw/zinc/43/87/34/638438734.db2.gz GKKPVTRYTWMXOW-UHFFFAOYSA-N 0 0 306.325 2.145 10 30 DEEERN C=CCCCC(=O)OCC(=O)NCCN1CCc2ccccc21 ZINC000748234139 638533013 /nfs/dbraw/zinc/53/30/13/638533013.db2.gz OISFHRMMOBCGJZ-UHFFFAOYSA-N 0 0 316.401 2.065 10 30 DEEERN N#Cc1ccc(COC(=O)CCOc2ccc(C(N)=O)cc2)cc1 ZINC000749033093 638610149 /nfs/dbraw/zinc/61/01/49/638610149.db2.gz PDQRZRAHSLMBOL-UHFFFAOYSA-N 0 0 324.336 2.169 10 30 DEEERN C/C(=C/c1ccc(F)cc1)C(=O)NC1CCN(CC#N)CC1 ZINC000749380514 638641386 /nfs/dbraw/zinc/64/13/86/638641386.db2.gz ATIBTWRYUJZBKF-SEYXRHQNSA-N 0 0 301.365 2.333 10 30 DEEERN C[C@H](CNC(=O)Cc1cccc(C#N)c1)CC1(C)OCCO1 ZINC000749398995 638644583 /nfs/dbraw/zinc/64/45/83/638644583.db2.gz HOELSSQTVXWWJA-ZDUSSCGKSA-N 0 0 302.374 2.006 10 30 DEEERN N#Cc1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCO3)s1 ZINC000750399127 638740460 /nfs/dbraw/zinc/74/04/60/638740460.db2.gz BBLVBBQHQJNAFX-UHFFFAOYSA-N 0 0 315.306 2.388 10 30 DEEERN CCO[C@@H](C)c1noc(COC(=O)Cc2cccc(C#N)c2)n1 ZINC000750430246 638743677 /nfs/dbraw/zinc/74/36/77/638743677.db2.gz KFZPMIOMRLJXET-NSHDSACASA-N 0 0 315.329 2.325 10 30 DEEERN CC(C)[C@@H](OC(=O)Cc1cccc(C#N)c1)C(=O)N1CCCC1 ZINC000750430565 638743901 /nfs/dbraw/zinc/74/39/01/638743901.db2.gz OWMRABZIPQYIHF-QGZVFWFLSA-N 0 0 314.385 2.291 10 30 DEEERN CCC[C@@H](C)NC(=O)[C@H](C)OC(=O)Cc1cccc(C#N)c1 ZINC000750432423 638744036 /nfs/dbraw/zinc/74/40/36/638744036.db2.gz FASLOMSNCMMEDJ-OLZOCXBDSA-N 0 0 302.374 2.337 10 30 DEEERN N#Cc1cccc(CNC(=O)COC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC000750910989 639042938 /nfs/dbraw/zinc/04/29/38/639042938.db2.gz MMYZPLNTPNOTDF-QLPKVWCKSA-N 0 0 312.369 2.154 10 30 DEEERN C=CCN(C(=O)Cc1ccc(S(=O)(=O)CC)cc1)C(C)C ZINC000728237388 639065427 /nfs/dbraw/zinc/06/54/27/639065427.db2.gz AMDHNPAXYJJDCP-UHFFFAOYSA-N 0 0 309.431 2.446 10 30 DEEERN C/C(=C/C(=O)Nc1cnn(CC#N)c1)c1ccc([N+](=O)[O-])cc1 ZINC000751751875 639117053 /nfs/dbraw/zinc/11/70/53/639117053.db2.gz PANZJYLUJFDHFX-FLIBITNWSA-N 0 0 311.301 2.357 10 30 DEEERN C#CCCNC(=O)CC(C)(CC(=O)NCCC#C)c1ccccc1 ZINC000751964773 639141306 /nfs/dbraw/zinc/14/13/06/639141306.db2.gz GREADGIMSIOYIR-UHFFFAOYSA-N 0 0 324.424 2.004 10 30 DEEERN Cc1noc(C)c1CN(C)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000728583537 639259337 /nfs/dbraw/zinc/25/93/37/639259337.db2.gz ZFCCQPDUYBMAJL-UHFFFAOYSA-N 0 0 323.349 2.123 10 30 DEEERN C#CCCCS(=O)(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000805039904 639286900 /nfs/dbraw/zinc/28/69/00/639286900.db2.gz ZBZMCTKFLDYPPI-UHFFFAOYSA-N 0 0 317.414 2.014 10 30 DEEERN C#Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)nc1 ZINC000728797992 639396450 /nfs/dbraw/zinc/39/64/50/639396450.db2.gz AOXRYDBODMWSPR-UHFFFAOYSA-N 0 0 307.353 2.152 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)Cc1coc2cc(OC)ccc12 ZINC000022650946 639566745 /nfs/dbraw/zinc/56/67/45/639566745.db2.gz RAYZVVZISBTILI-NSHDSACASA-N 0 0 317.341 2.218 10 30 DEEERN C#CCOc1ccc(CNc2ccc3n[nH]c(C(N)=O)c3c2)cc1 ZINC000089808233 641324837 /nfs/dbraw/zinc/32/48/37/641324837.db2.gz MNVLIVPBZYRJOY-UHFFFAOYSA-N 0 0 320.352 2.286 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCOCC1 ZINC000805784573 643255899 /nfs/dbraw/zinc/25/58/99/643255899.db2.gz OWVYDHLXFJQOPP-IAGOWNOFSA-N 0 0 300.402 2.489 10 30 DEEERN C=CCCCCCCNC(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000806004842 644184568 /nfs/dbraw/zinc/18/45/68/644184568.db2.gz XZVZGSCHFXQCRA-AWEZNQCLSA-N 0 0 316.467 2.199 10 30 DEEERN C=C[C@@](C)(CC)COC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000802796148 645224521 /nfs/dbraw/zinc/22/45/21/645224521.db2.gz DXWLNJKGTGYVOG-WFASDCNBSA-N 0 0 318.435 2.114 10 30 DEEERN C=CCCc1ccccc1NC(=O)N1CC(=O)N(C)C[C@H]1C ZINC000800576824 645289752 /nfs/dbraw/zinc/28/97/52/645289752.db2.gz YQXXVTTWCZMWBZ-CYBMUJFWSA-N 0 0 301.390 2.500 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC000801137490 645345307 /nfs/dbraw/zinc/34/53/07/645345307.db2.gz KMDJFBDWZYTJNX-WMZOPIPTSA-N 0 0 300.377 2.181 10 30 DEEERN C=C(COC(=O)[C@@](C)(O)CCc1ccccc1)C(=O)OCC ZINC000801493954 645405092 /nfs/dbraw/zinc/40/50/92/645405092.db2.gz OIUKTGWIMNKNMS-KRWDZBQOSA-N 0 0 306.358 2.033 10 30 DEEERN N#CCOc1cccc(NC(=O)N2CCO[C@H](C(F)F)C2)c1 ZINC000801616919 645424050 /nfs/dbraw/zinc/42/40/50/645424050.db2.gz ICVMBDBESKQUNG-LBPRGKRZSA-N 0 0 311.288 2.087 10 30 DEEERN C=C(Br)CNC(=O)NC1(CCO)CCCCC1 ZINC000802041067 645475350 /nfs/dbraw/zinc/47/53/50/645475350.db2.gz OSZRVYQDXAKVAE-UHFFFAOYSA-N 0 0 305.216 2.280 10 30 DEEERN COCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CC1 ZINC000802446620 645526331 /nfs/dbraw/zinc/52/63/31/645526331.db2.gz WMSSRAKBJRSSIF-UHFFFAOYSA-N 0 0 311.389 2.309 10 30 DEEERN C#Cc1cc(F)c(NC(=O)C(=O)NCCCC2CC2)c(F)c1 ZINC000802556198 645533916 /nfs/dbraw/zinc/53/39/16/645533916.db2.gz PJKVVGJXEJRPIR-UHFFFAOYSA-N 0 0 306.312 2.191 10 30 DEEERN C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](F)C2)c(F)c1 ZINC000802565511 645534543 /nfs/dbraw/zinc/53/45/43/645534543.db2.gz YNARYSPSKVPYPX-RNCFNFMXSA-N 0 0 324.302 2.091 10 30 DEEERN C#C[C@@H](C)Oc1ccc(COC(=O)COC[C@H]2CCCO2)cc1 ZINC000802809744 645561874 /nfs/dbraw/zinc/56/18/74/645561874.db2.gz PMMIDOLZIBMLEF-RHSMWYFYSA-N 0 0 318.369 2.326 10 30 DEEERN C#C[C@H](C)Oc1ccc(COC(=O)[C@@]2(C)CCC(=O)NC2)cc1 ZINC000802811761 645562948 /nfs/dbraw/zinc/56/29/48/645562948.db2.gz OQGAXQHREYKJHJ-UGSOOPFHSA-N 0 0 315.369 2.047 10 30 DEEERN C#CCn1c(-c2cnn(C)n2)csc1=Nc1ccccc1C#N ZINC000803182146 645615299 /nfs/dbraw/zinc/61/52/99/645615299.db2.gz VBLDLNMFPGNMMU-UHFFFAOYSA-N 0 0 320.381 2.082 10 30 DEEERN C=C(C)CCOC(=O)c1cc(S(=O)(=O)NC)ccc1Cl ZINC000803253826 645624507 /nfs/dbraw/zinc/62/45/07/645624507.db2.gz MOZWFRILUPQPAQ-UHFFFAOYSA-N 0 0 317.794 2.371 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000803521117 645667907 /nfs/dbraw/zinc/66/79/07/645667907.db2.gz YGKOOCYXESMMFP-AWEZNQCLSA-N 0 0 309.325 2.354 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C(=O)N1CCC[C@@H](C)C1)C(C)C ZINC000803697449 645680726 /nfs/dbraw/zinc/68/07/26/645680726.db2.gz FIOMLEBYJXHLIT-WBVHZDCISA-N 0 0 317.429 2.476 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)NCc1ccccc1C ZINC000803699490 645681919 /nfs/dbraw/zinc/68/19/19/645681919.db2.gz FEDXMSKOCQPOJO-OAHLLOKOSA-N 0 0 311.381 2.206 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)NCCC1CCCCC1 ZINC000803700976 645682398 /nfs/dbraw/zinc/68/23/98/645682398.db2.gz GSMUTGMPZDUXKG-UHFFFAOYSA-N 0 0 303.402 2.279 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)COc1ccc(Cl)cc1 ZINC000803700072 645682525 /nfs/dbraw/zinc/68/25/25/645682525.db2.gz ARHMEDXXRVURBV-UHFFFAOYSA-N 0 0 318.756 2.494 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000803700475 645682589 /nfs/dbraw/zinc/68/25/89/645682589.db2.gz RGYHHCZTUAVAJW-ZDUSSCGKSA-N 0 0 315.344 2.209 10 30 DEEERN CC[C@@H](C)N1CC(=O)N(Cc2ccc(OC)c(C#N)c2)C1=O ZINC000804181271 645737217 /nfs/dbraw/zinc/73/72/17/645737217.db2.gz IKFYGVUMZPFRSK-LLVKDONJSA-N 0 0 301.346 2.130 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)C1(C(=O)OCC)CCC1 ZINC000804453946 645774070 /nfs/dbraw/zinc/77/40/70/645774070.db2.gz LKBJAIZZLNDZRC-MRXNPFEDSA-N 0 0 313.397 2.471 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccnc2[nH]cnc21 ZINC000804455834 645774163 /nfs/dbraw/zinc/77/41/63/645774163.db2.gz LVZYMXKMDVQFCD-AWEZNQCLSA-N 0 0 304.353 2.322 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cnn2cccnc12 ZINC000804453625 645774309 /nfs/dbraw/zinc/77/43/09/645774309.db2.gz ILUPYXKSTIDMHP-HNNXBMFYSA-N 0 0 304.353 2.094 10 30 DEEERN C#CCC(CC#C)C(=O)N(CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000806308808 645817276 /nfs/dbraw/zinc/81/72/76/645817276.db2.gz GJKAANCBYTTYMJ-UHFFFAOYSA-N 0 0 321.380 2.347 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1c(C)ccn(C)c1=O ZINC000806342916 645820779 /nfs/dbraw/zinc/82/07/79/645820779.db2.gz VGLQTBCIFAXIEI-MRXNPFEDSA-N 0 0 323.396 2.450 10 30 DEEERN C=C(Br)CNC(=O)N1CCCCC[C@H]1CCO ZINC000806550134 645845166 /nfs/dbraw/zinc/84/51/66/645845166.db2.gz CAAXDYNYOFWPIW-NSHDSACASA-N 0 0 305.216 2.232 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@@H](c2ccccn2)C1 ZINC000806623475 645854545 /nfs/dbraw/zinc/85/45/45/645854545.db2.gz PGGCLHUSXXYHNR-LSDHHAIUSA-N 0 0 315.417 2.259 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)CCCNC(=O)OC(C)(C)C ZINC000806888643 645883799 /nfs/dbraw/zinc/88/37/99/645883799.db2.gz KDPKMQMWNAHXNF-UHFFFAOYSA-N 0 0 306.406 2.022 10 30 DEEERN C#Cc1cncc(C(=O)N[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000807203603 645924034 /nfs/dbraw/zinc/92/40/34/645924034.db2.gz DDYGYLXWZPNNGP-HNNXBMFYSA-N 0 0 300.745 2.180 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000807258044 645931079 /nfs/dbraw/zinc/93/10/79/645931079.db2.gz XBAMCOUKEOICIG-HNNXBMFYSA-N 0 0 315.335 2.201 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([C@@H](C)O)C1 ZINC000807466927 645954267 /nfs/dbraw/zinc/95/42/67/645954267.db2.gz HKNBFTOUSSYQSN-DJIMGWMZSA-N 0 0 300.402 2.033 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@@H]1CCCc2nc(C)sc21 ZINC000807649874 645974017 /nfs/dbraw/zinc/97/40/17/645974017.db2.gz CKQGLCDJXJWMRV-GFCCVEGCSA-N 0 0 307.419 2.028 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807671186 645975445 /nfs/dbraw/zinc/97/54/45/645975445.db2.gz LXMADHNLDMXOJE-CQSZACIVSA-N 0 0 317.433 2.354 10 30 DEEERN C#CCN(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)C1CCCC1 ZINC000164315418 646433763 /nfs/dbraw/zinc/43/37/63/646433763.db2.gz PJXNZWRWEDBGBM-UHFFFAOYSA-N 0 0 323.400 2.053 10 30 DEEERN C#CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000058818639 646568130 /nfs/dbraw/zinc/56/81/30/646568130.db2.gz YKTVGCJZBACYEP-CQSZACIVSA-N 0 0 313.378 2.266 10 30 DEEERN CCN(CC)C(=O)CNc1nc(C(F)(F)F)ccc1C#N ZINC000227115704 646592986 /nfs/dbraw/zinc/59/29/86/646592986.db2.gz GBPONXVBQBJDSY-UHFFFAOYSA-N 0 0 300.284 2.252 10 30 DEEERN C#CCCCOC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000170711006 646659097 /nfs/dbraw/zinc/65/90/97/646659097.db2.gz SYQIJPZQYJTWSD-AWEZNQCLSA-N 0 0 305.399 2.238 10 30 DEEERN C=C(CN1c2cccc3cccc(c23)S1(=O)=O)C(=O)OCC ZINC000172292529 646728801 /nfs/dbraw/zinc/72/88/01/646728801.db2.gz ZQABDAJQCSPSGW-UHFFFAOYSA-N 0 0 317.366 2.468 10 30 DEEERN C[C@H](CCOc1ccccc1)C(=O)[C@H](C#N)C(=O)N1CCCC1 ZINC000173967580 646784399 /nfs/dbraw/zinc/78/43/99/646784399.db2.gz AYIDTOFDMBUIBQ-ZBFHGGJFSA-N 0 0 314.385 2.423 10 30 DEEERN C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](C)c2cccnc2)c1 ZINC000174073484 646791066 /nfs/dbraw/zinc/79/10/66/646791066.db2.gz GOBLTNGFOLULSH-CQSZACIVSA-N 0 0 321.380 2.264 10 30 DEEERN C#CCN(CC#C)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000174527602 646813165 /nfs/dbraw/zinc/81/31/65/646813165.db2.gz JLLAMOULFGSBEJ-OAHLLOKOSA-N 0 0 312.438 2.472 10 30 DEEERN C#CCCCNC(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC000174574669 646816833 /nfs/dbraw/zinc/81/68/33/646816833.db2.gz NPPRISJFJLGVHW-UHFFFAOYSA-N 0 0 308.378 2.027 10 30 DEEERN C#CCOc1ccc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1 ZINC000151770946 647017202 /nfs/dbraw/zinc/01/72/02/647017202.db2.gz LXBSQOHVCYIFAN-UHFFFAOYSA-N 0 0 322.320 2.282 10 30 DEEERN C=CCC[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC000089311883 647255872 /nfs/dbraw/zinc/25/58/72/647255872.db2.gz DLNXLYAMCWIROE-SNVBAGLBSA-N 0 0 315.391 2.350 10 30 DEEERN C#CCN(C1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000153086052 647349618 /nfs/dbraw/zinc/34/96/18/647349618.db2.gz CJQAZHVOBSRPBI-UHFFFAOYSA-N 0 0 322.386 2.470 10 30 DEEERN C=C(C)CCOC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12 ZINC000174795561 647409444 /nfs/dbraw/zinc/40/94/44/647409444.db2.gz UHGACZUKCVZJLV-DYEKYZERSA-N 0 0 312.435 2.222 10 30 DEEERN Cc1cccc([C@H](O)CNC(=O)[C@@H](C)Oc2ccccc2C#N)c1 ZINC000153542706 647504706 /nfs/dbraw/zinc/50/47/06/647504706.db2.gz FCJYTAWEUZSXGN-RHSMWYFYSA-N 0 0 324.380 2.484 10 30 DEEERN N#Cc1cc(S(N)(=O)=O)ccc1NCc1cccc(Cl)c1 ZINC000731901588 647521319 /nfs/dbraw/zinc/52/13/19/647521319.db2.gz DHTLJPNKLXBZRB-UHFFFAOYSA-N 0 0 321.789 2.471 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2c[nH]cc2-c2ccccc2)CCN1C1CC1 ZINC000732664981 647637171 /nfs/dbraw/zinc/63/71/71/647637171.db2.gz SBZCLQPYPVVADB-MRXNPFEDSA-N 0 0 320.396 2.494 10 30 DEEERN N#C[C@@H]1CN(C(=O)Nc2nc(C3CC3)cs2)CCN1C1CC1 ZINC000732675624 647640654 /nfs/dbraw/zinc/64/06/54/647640654.db2.gz ZKIGMJANARCKJC-GFCCVEGCSA-N 0 0 317.418 2.225 10 30 DEEERN CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732675331 647640834 /nfs/dbraw/zinc/64/08/34/647640834.db2.gz XRAXKEKNEMNYAE-BMFZPTHFSA-N 0 0 304.438 2.337 10 30 DEEERN N#C[C@@H]1CN(C(=O)NCc2cc3ccccc3[nH]2)CCN1C1CC1 ZINC000732700630 647643742 /nfs/dbraw/zinc/64/37/42/647643742.db2.gz JVVVWTXZYPUUGI-MRXNPFEDSA-N 0 0 323.400 2.050 10 30 DEEERN CC(C)[C@@H](C)CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000181868122 648771570 /nfs/dbraw/zinc/77/15/70/648771570.db2.gz SZEAFMCHBJRGSB-STQMWFEESA-N 0 0 317.389 2.324 10 30 DEEERN C#CCN(CC#C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000076185404 649117477 /nfs/dbraw/zinc/11/74/77/649117477.db2.gz RLLUIKKBMPATGS-AWEZNQCLSA-N 0 0 311.303 2.014 10 30 DEEERN C#CCOc1cccc(COC(=O)[C@H](C)OC[C@H]2CCCO2)c1 ZINC000107021518 651408154 /nfs/dbraw/zinc/40/81/54/651408154.db2.gz HIIPVIHMQHNGLU-WMLDXEAASA-N 0 0 318.369 2.326 10 30 DEEERN C=CCOC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC000078341292 683961083 /nfs/dbraw/zinc/96/10/83/683961083.db2.gz RSMLTOMOXZMYEJ-JTQLQIEISA-N 0 0 309.749 2.431 10 30 DEEERN C=C(C)[C@H]1CC=C(COC(=O)CCCN2C(=O)CNC2=O)CC1 ZINC000080404973 683982504 /nfs/dbraw/zinc/98/25/04/683982504.db2.gz ODUGIELVGUFYPI-AWEZNQCLSA-N 0 0 320.389 2.164 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000081055526 683987540 /nfs/dbraw/zinc/98/75/40/683987540.db2.gz SNVXTILADWSWCZ-UHFFFAOYSA-N 0 0 305.341 2.012 10 30 DEEERN C#CCN(Cc1coc2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000092193349 684040734 /nfs/dbraw/zinc/04/07/34/684040734.db2.gz BYMUTWTZSPPZDW-CQSZACIVSA-N 0 0 303.383 2.055 10 30 DEEERN C#CCCCOC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000116593910 684065619 /nfs/dbraw/zinc/06/56/19/684065619.db2.gz PGMUVBDLDNKBJR-NVXWUHKLSA-N 0 0 315.369 2.171 10 30 DEEERN CC(C)NC(=O)[C@@H](C#N)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000118143020 684070205 /nfs/dbraw/zinc/07/02/05/684070205.db2.gz PMWVMHADPYROSM-JSGCOSHPSA-N 0 0 300.358 2.176 10 30 DEEERN C=CCN(CCS(=O)(=O)CC)Cc1cccc([N+](=O)[O-])c1 ZINC000118394840 684071548 /nfs/dbraw/zinc/07/15/48/684071548.db2.gz XCIPWUDRGJSCAU-UHFFFAOYSA-N 0 0 312.391 2.018 10 30 DEEERN C=CCN(CC1CCCCC1)Cn1nc(CO)n(C)c1=S ZINC000120479057 684096860 /nfs/dbraw/zinc/09/68/60/684096860.db2.gz AJVZTXRRHXXLJM-UHFFFAOYSA-N 0 0 310.467 2.469 10 30 DEEERN CC(C)C[C@H](C)OCCC(=O)C(C#N)=C([O-])c1nccn1C ZINC000122626098 684117176 /nfs/dbraw/zinc/11/71/76/684117176.db2.gz RBDOMJQWICBXES-QWHCGFSZSA-N 0 0 305.378 2.153 10 30 DEEERN N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1cnn2c1CCCC2 ZINC000125608985 684147576 /nfs/dbraw/zinc/14/75/76/684147576.db2.gz AEGIZAHDLGTWQO-CYBMUJFWSA-N 0 0 308.341 2.181 10 30 DEEERN C=CCOc1ccc(C(=O)OCCN2CCSCC2)cc1 ZINC000127675558 684165332 /nfs/dbraw/zinc/16/53/32/684165332.db2.gz NMVFMQVHCKEQOF-UHFFFAOYSA-N 0 0 307.415 2.457 10 30 DEEERN N#CCOc1ccc(/C=C2/N=C(c3cccnc3)OC2=O)cc1 ZINC000130160460 684185523 /nfs/dbraw/zinc/18/55/23/684185523.db2.gz YTBBZLSJTMQHFM-XNTDXEJSSA-N 0 0 305.293 2.328 10 30 DEEERN C[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1Cl)C(C)(C)C#N ZINC000130572929 684190122 /nfs/dbraw/zinc/19/01/22/684190122.db2.gz YTSFWXFILZCTDF-SECBINFHSA-N 0 0 319.752 2.411 10 30 DEEERN CS(=O)(=O)c1csc(C(=O)OCc2ccc(C#N)cc2)c1 ZINC000130916081 684194249 /nfs/dbraw/zinc/19/42/49/684194249.db2.gz CAFMZFOAHXXUJH-UHFFFAOYSA-N 0 0 321.379 2.380 10 30 DEEERN CNC(=O)[C@H](C#N)C(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000132678856 684212052 /nfs/dbraw/zinc/21/20/52/684212052.db2.gz ZDAGHDJNMPHFPE-JOYOIKCWSA-N 0 0 323.190 2.398 10 30 DEEERN C=C(C)C[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC ZINC000136630451 684241295 /nfs/dbraw/zinc/24/12/95/684241295.db2.gz UZYUDXBWNLYWCM-AWEZNQCLSA-N 0 0 311.403 2.171 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)OCc1nnnn1-c1ccccc1 ZINC000159054317 684308967 /nfs/dbraw/zinc/30/89/67/684308967.db2.gz NGABFHIZHYYVEJ-UHFFFAOYSA-N 0 0 319.324 2.199 10 30 DEEERN C=C[C@@](C)(CCOC)COC(=O)c1sccc1-n1cnnn1 ZINC000187534070 684339842 /nfs/dbraw/zinc/33/98/42/684339842.db2.gz LARPJICOVFTMEH-AWEZNQCLSA-N 0 0 322.390 2.109 10 30 DEEERN C[C@@H]1[C@@H](NC(=O)C(C)(C)C#N)CCCN1C(=O)OC(C)(C)C ZINC000188335227 684354170 /nfs/dbraw/zinc/35/41/70/684354170.db2.gz HFJAMRDCQFRFQS-NEPJUHHUSA-N 0 0 309.410 2.440 10 30 DEEERN Cc1cc(COCC(=O)Nc2ccccc2O[C@H](C)C#N)on1 ZINC000193859462 685050993 /nfs/dbraw/zinc/05/09/93/685050993.db2.gz DUTJPBPPEXYAON-GFCCVEGCSA-N 0 0 315.329 2.429 10 30 DEEERN C[C@H](CC#N)NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000194646865 685074236 /nfs/dbraw/zinc/07/42/36/685074236.db2.gz XRPUQBYWMKMMAT-MRVPVSSYSA-N 0 0 320.292 2.012 10 30 DEEERN N#C[C@H]1CN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CCO1 ZINC000246783533 685136467 /nfs/dbraw/zinc/13/64/67/685136467.db2.gz QHJWTVCLLKKOHD-KGLIPLIRSA-N 0 0 305.765 2.057 10 30 DEEERN COc1cc(/C=C\C(=O)c2cnn(C)c2C)cc2c1OCCO2 ZINC000588397273 777052886 /nfs/dbraw/zinc/05/28/86/777052886.db2.gz LTVDJGAJIGQLCN-PLNGDYQASA-N 0 0 314.341 2.404 10 30 DEEERN Cn1cc(-c2cc(CON=Cc3ccc([N+](=O)[O-])o3)on2)cn1 ZINC000588483044 777252987 /nfs/dbraw/zinc/25/29/87/777252987.db2.gz UMUIOVFESNXDGM-UHFFFAOYSA-N 0 0 317.261 2.127 10 30 DEEERN CC[C@@H](CC#N)OC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000588558072 777415870 /nfs/dbraw/zinc/41/58/70/777415870.db2.gz IMBZUSQQXLGKDP-PIZKADEWSA-N 0 0 322.386 2.307 10 30 DEEERN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1nc(C#N)cs1 ZINC000721851709 780359735 /nfs/dbraw/zinc/35/97/35/780359735.db2.gz HYCQMPUPIFZQGY-ZYHUDNBSSA-N 0 0 322.434 2.360 10 30 DEEERN C#CC1(O)CCN(C(=O)c2cscc2C(F)(F)F)CC1 ZINC000717193117 799258287 /nfs/dbraw/zinc/25/82/87/799258287.db2.gz AXHALAABBYYWJG-UHFFFAOYSA-N 0 0 303.305 2.367 10 30 DEEERN C=CCOc1ccccc1CNC(=O)Cn1nnc2ccccc21 ZINC000171888894 799448268 /nfs/dbraw/zinc/44/82/68/799448268.db2.gz JAGRDMZYTSDSPF-UHFFFAOYSA-N 0 0 322.368 2.313 10 30 DEEERN CC1(NS(=O)(=O)c2cc(F)cc(C#N)c2)CC(F)(F)C1 ZINC000720992744 1085300410 /nfs/dbraw/zinc/30/04/10/1085300410.db2.gz GXSVPCTYMBYAAM-UHFFFAOYSA-N 0 0 304.293 2.163 10 30 DEEERN N#Cc1ccccc1OCC(=O)NCc1cnc(Cl)s1 ZINC000718872631 1088676019 /nfs/dbraw/zinc/67/60/19/1088676019.db2.gz ZYUBNPWDSQGHTI-UHFFFAOYSA-N 0 0 307.762 2.363 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CSCN1C(C)=O ZINC000413992432 1089236082 /nfs/dbraw/zinc/23/60/82/1089236082.db2.gz XUZGVRYCWKQVFH-JKSUJKDBSA-N 0 0 318.442 2.211 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC(=O)Nc1ccc(Cl)cc1 ZINC000278335408 214097959 /nfs/dbraw/zinc/09/79/59/214097959.db2.gz XLOMRAMPOLVZRB-UKRRQHHQSA-N 0 0 322.792 2.376 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cc(C(=O)OC)ccc1F ZINC000076853708 185047249 /nfs/dbraw/zinc/04/72/49/185047249.db2.gz XISKEEOWEPEZGQ-UHFFFAOYSA-N 0 0 315.366 2.199 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](c1cccnc1)C(C)C ZINC000612068000 361738151 /nfs/dbraw/zinc/73/81/51/361738151.db2.gz KOIMCUAFMXMZNO-SJORKVTESA-N 0 0 317.433 2.408 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000278422689 214142042 /nfs/dbraw/zinc/14/20/42/214142042.db2.gz QZCHWPZKKFMTOL-UHFFFAOYSA-N 0 0 305.381 2.366 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)Cc1cc(Cl)cn1C ZINC000612293055 361783439 /nfs/dbraw/zinc/78/34/39/361783439.db2.gz UFSPNZJHUDNKLW-AWEZNQCLSA-N 0 0 311.813 2.108 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1COc2c1cccc2Cl ZINC000612304341 361786947 /nfs/dbraw/zinc/78/69/47/361786947.db2.gz NMJAMWOMWJBZKV-UONOGXRCSA-N 0 0 322.792 2.361 10 30 DEEERN C=CCN(c1nnc(-c2cn[nH]c2)n1C[C@@H]1CCCO1)C1CC1 ZINC000625098272 365642729 /nfs/dbraw/zinc/64/27/29/365642729.db2.gz OGHPBCYZSJGKQN-AWEZNQCLSA-N 0 0 314.393 2.002 10 30 DEEERN C=CCCC[C@H](C)NS(=O)(=O)CC1(OCC)CCOCC1 ZINC000625111742 365647201 /nfs/dbraw/zinc/64/72/01/365647201.db2.gz QPBCUUHWLMTTET-AWEZNQCLSA-N 0 0 319.467 2.236 10 30 DEEERN CC[C@@H]1CN(c2ccccc2)CCN1S(=O)(=O)CCCC#N ZINC000186110736 529402562 /nfs/dbraw/zinc/40/25/62/529402562.db2.gz NQSXTGIZYPSOJJ-OAHLLOKOSA-N 0 0 321.446 2.221 10 30 DEEERN CCc1nnsc1C(=O)Nc1cc(C#CCO)ccc1Cl ZINC000087456342 185225701 /nfs/dbraw/zinc/22/57/01/185225701.db2.gz WMSZFTUUTLAUFJ-UHFFFAOYSA-N 0 0 321.789 2.350 10 30 DEEERN CN1CCN([C@@H](C#N)c2ccc(F)c(Br)c2)CC1 ZINC000088044906 185238005 /nfs/dbraw/zinc/23/80/05/185238005.db2.gz PYAOPVVBVWGMMU-ZDUSSCGKSA-N 0 0 312.186 2.400 10 30 DEEERN N#CCN(CC#N)Cc1ccc(I)cc1 ZINC000088185060 185241332 /nfs/dbraw/zinc/24/13/32/185241332.db2.gz ILZFVYRAHJEKEK-UHFFFAOYSA-N 0 0 311.126 2.140 10 30 DEEERN Cc1c(C#CCO)cccc1C(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000088443535 185250995 /nfs/dbraw/zinc/25/09/95/185250995.db2.gz SPKMMJOKWVZXJU-STQMWFEESA-N 0 0 303.427 2.305 10 30 DEEERN C[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1N ZINC000088507332 185254265 /nfs/dbraw/zinc/25/42/65/185254265.db2.gz JXPAGTKSYNMHNZ-RISCZKNCSA-N 0 0 307.419 2.388 10 30 DEEERN CN(C)S(=O)(=O)c1ccc(CNc2ccc(C#N)cc2)o1 ZINC000088539834 185255518 /nfs/dbraw/zinc/25/55/18/185255518.db2.gz FYSADFMKGBBPMU-UHFFFAOYSA-N 0 0 305.359 2.014 10 30 DEEERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CCC[C@@H]2C#N)C1 ZINC000408330787 529633208 /nfs/dbraw/zinc/63/32/08/529633208.db2.gz ODEYJLSEPQGUJU-LJISPDSOSA-N 0 0 305.422 2.080 10 30 DEEERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000613163793 362023156 /nfs/dbraw/zinc/02/31/56/362023156.db2.gz VPDZHFZVDVSPJG-ILXRZTDVSA-N 0 0 301.394 2.058 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCc2cccc(F)c2C1 ZINC000613181353 362030148 /nfs/dbraw/zinc/03/01/48/362030148.db2.gz NNEBTOCZPNPIOA-INIZCTEOSA-N 0 0 304.365 2.181 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc2c(cc1C)OCO2 ZINC000613370076 362092910 /nfs/dbraw/zinc/09/29/10/362092910.db2.gz DPYFWECZLOCNMJ-CYBMUJFWSA-N 0 0 304.346 2.133 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCC1CCC(OC)CC1 ZINC000613479498 362124671 /nfs/dbraw/zinc/12/46/71/362124671.db2.gz LTDZPDUJCZZGRH-UYSNPLJNSA-N 0 0 310.438 2.169 10 30 DEEERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CC1(C#N)CCOCC1 ZINC000613557152 362146436 /nfs/dbraw/zinc/14/64/36/362146436.db2.gz ZJVYXJURKHXOMD-MRXNPFEDSA-N 0 0 314.385 2.013 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCCC[C@H](CCOC)C1 ZINC000613577166 362150917 /nfs/dbraw/zinc/15/09/17/362150917.db2.gz ODPNFNSBRQQAFO-CVEARBPZSA-N 0 0 310.438 2.123 10 30 DEEERN C=C[C@@](C)(O)C(=O)NCc1ccc(Br)cc1OC ZINC000613666990 362175825 /nfs/dbraw/zinc/17/58/25/362175825.db2.gz UOJIJVCZOKOAMQ-CYBMUJFWSA-N 0 0 314.179 2.011 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)C[C@@H](OC)C2CCCC2)C1 ZINC000625355538 365743313 /nfs/dbraw/zinc/74/33/13/365743313.db2.gz RRKILBNLEASRAS-DZGCQCFKSA-N 0 0 301.452 2.419 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)C[C@H](Cc2ccccc2)OC)C1 ZINC000625356091 365744802 /nfs/dbraw/zinc/74/48/02/365744802.db2.gz ZUEXXTWXSBVVSU-IRXDYDNUSA-N 0 0 323.458 2.472 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cccc3c2OCCCO3)C1 ZINC000625355798 365745317 /nfs/dbraw/zinc/74/53/17/365745317.db2.gz VTXMQBKFZPCAHE-CYBMUJFWSA-N 0 0 323.414 2.435 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCn2cccc2[C@@H]1C ZINC000625361094 365746042 /nfs/dbraw/zinc/74/60/42/365746042.db2.gz HZZXVCROXXROAS-ZDUSSCGKSA-N 0 0 303.406 2.110 10 30 DEEERN N#CC1(NC(=O)[C@H]2CCCCS2(=O)=O)CCCCCCC1 ZINC000168443827 197722526 /nfs/dbraw/zinc/72/25/26/197722526.db2.gz YTCQVBJRPGHKHC-CYBMUJFWSA-N 0 0 312.435 2.077 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@@H](C)c1ccncc1 ZINC000625446742 365789011 /nfs/dbraw/zinc/78/90/11/365789011.db2.gz SVKRWMDMVKWGMG-ZDUSSCGKSA-N 0 0 303.406 2.320 10 30 DEEERN CN1CCOc2ccc(NC(=O)N[C@@H]3CCC[C@@H]3C#N)cc21 ZINC000408235736 529791962 /nfs/dbraw/zinc/79/19/62/529791962.db2.gz LNECBCCJZHCECS-DGCLKSJQSA-N 0 0 300.362 2.329 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](CC(F)(F)F)C1 ZINC000614026077 362266174 /nfs/dbraw/zinc/26/61/74/362266174.db2.gz DTTNTWJBXBPQEO-NWDGAFQWSA-N 0 0 306.328 2.258 10 30 DEEERN C=CCC1(C(=O)N2CC[C@@H](N3CCC3)[C@H](F)C2)CCOCC1 ZINC000614103628 362288100 /nfs/dbraw/zinc/28/81/00/362288100.db2.gz MAQJQBIHJPNTMR-HUUCEWRRSA-N 0 0 310.413 2.004 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c(C(F)(F)F)cnn1C ZINC000614372512 362364616 /nfs/dbraw/zinc/36/46/16/362364616.db2.gz JQEGMWYNUMQNKI-JOYOIKCWSA-N 0 0 317.311 2.150 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(C(C)=O)c1O ZINC000614860264 362477128 /nfs/dbraw/zinc/47/71/28/362477128.db2.gz GBLGMHQSEJQESN-AWEZNQCLSA-N 0 0 304.346 2.004 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CC[C@H](c2ccco2)C1 ZINC000625485699 365804630 /nfs/dbraw/zinc/80/46/30/365804630.db2.gz VJZOSDXMNGLSRQ-ZDUSSCGKSA-N 0 0 304.390 2.314 10 30 DEEERN N#C[C@@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)C1CC1 ZINC000108839853 185535596 /nfs/dbraw/zinc/53/55/96/185535596.db2.gz OXFMGUCSKARGFG-MRXNPFEDSA-N 0 0 320.352 2.366 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000615466318 362614707 /nfs/dbraw/zinc/61/47/07/362614707.db2.gz ZVNQKOQKTDOSKG-MRXNPFEDSA-N 0 0 322.449 2.001 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@](F)(C#N)C1 ZINC000615583566 362645820 /nfs/dbraw/zinc/64/58/20/362645820.db2.gz UPGOYQSPKHFRJI-WBVHZDCISA-N 0 0 315.348 2.426 10 30 DEEERN CN(C)c1ccc(NC(=O)c2sccc2C#CCO)cc1 ZINC000111532448 185611097 /nfs/dbraw/zinc/61/10/97/185611097.db2.gz XIWILGOPZRHFAS-UHFFFAOYSA-N 0 0 300.383 2.410 10 30 DEEERN COc1ccc(-c2nc(CN3CC[C@](F)(C#N)C3)no2)cc1 ZINC000615647650 362670452 /nfs/dbraw/zinc/67/04/52/362670452.db2.gz XKTZNLFMNCFGFQ-HNNXBMFYSA-N 0 0 302.309 2.183 10 30 DEEERN COC(=O)c1ccc(CCC(=O)NC2(C#N)CCCC2)cc1 ZINC000068397813 190765678 /nfs/dbraw/zinc/76/56/78/190765678.db2.gz NJZUENDVAMYYKY-UHFFFAOYSA-N 0 0 300.358 2.358 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCc2cccc(OC)c2C1 ZINC000615960113 362739801 /nfs/dbraw/zinc/73/98/01/362739801.db2.gz YOCXVCBUIJQLCU-MRXNPFEDSA-N 0 0 316.401 2.051 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1Cc2ccc(OC)cc2C1 ZINC000625671868 365867960 /nfs/dbraw/zinc/86/79/60/365867960.db2.gz BWJOOSYCPIEIIS-UHFFFAOYSA-N 0 0 316.401 2.256 10 30 DEEERN C=CC[C@@H]1CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000625704286 365876518 /nfs/dbraw/zinc/87/65/18/365876518.db2.gz XJPXMXGVIJNZPB-LLVKDONJSA-N 0 0 314.838 2.385 10 30 DEEERN C=CC[C@H]1CCN(CCS(=O)(=O)c2cccc(OC)c2)C1 ZINC000625701985 365874452 /nfs/dbraw/zinc/87/44/52/365874452.db2.gz VMOWJBUUVPLGIL-AWEZNQCLSA-N 0 0 309.431 2.367 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1cncc(Br)c1C ZINC000616102817 362771764 /nfs/dbraw/zinc/77/17/64/362771764.db2.gz ZDURXYZPNKIUSQ-SNVBAGLBSA-N 0 0 313.195 2.209 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cnccc1C(C)(C)C ZINC000616269656 362812094 /nfs/dbraw/zinc/81/20/94/362812094.db2.gz YZMZVIDLGPLVLR-MRXNPFEDSA-N 0 0 317.433 2.466 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)COCc1nccn1C ZINC000616302660 362820830 /nfs/dbraw/zinc/82/08/30/362820830.db2.gz HXRQRZCAAVTRDM-MRXNPFEDSA-N 0 0 313.401 2.240 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1Cc2cccc(OC)c2C1 ZINC000625763907 365894201 /nfs/dbraw/zinc/89/42/01/365894201.db2.gz IMPGMRLVYGWYJR-UHFFFAOYSA-N 0 0 316.401 2.256 10 30 DEEERN N#Cc1cccc([C@H]2CCN(S(N)(=O)=O)c3ccccc32)c1 ZINC000616588534 362894266 /nfs/dbraw/zinc/89/42/66/362894266.db2.gz LXSVFYHXNDNMNG-CQSZACIVSA-N 0 0 313.382 2.104 10 30 DEEERN CS(=O)(=O)N1C[C@@H](c2ccc(C#N)cc2)Nc2ccccc21 ZINC000616582935 362894522 /nfs/dbraw/zinc/89/45/22/362894522.db2.gz FITYCSPFRDGTPS-HNNXBMFYSA-N 0 0 313.382 2.491 10 30 DEEERN C=C[C@@H](O)C(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000616709510 362915852 /nfs/dbraw/zinc/91/58/52/362915852.db2.gz IBTCZBYJHANARO-LLVKDONJSA-N 0 0 301.264 2.237 10 30 DEEERN COc1ccccc1C(=O)NCc1ccc(C#CCO)s1 ZINC000071322450 190958541 /nfs/dbraw/zinc/95/85/41/190958541.db2.gz MZQHBQVXRDHNEE-UHFFFAOYSA-N 0 0 301.367 2.031 10 30 DEEERN N#Cc1ccccc1NC(=O)C[S@](=O)c1ccccc1F ZINC000084259745 192418078 /nfs/dbraw/zinc/41/80/78/192418078.db2.gz JBIYMUZQWALSCW-OAQYLSRUSA-N 0 0 302.330 2.444 10 30 DEEERN C=CCCCNS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000279982693 215289442 /nfs/dbraw/zinc/28/94/42/215289442.db2.gz ZPOSOUSKRSANRP-UHFFFAOYSA-N 0 0 317.794 2.371 10 30 DEEERN COC(=O)CCCCCN1C(=O)c2ccc(OC)cc2[C@@H]1C#N ZINC000071678558 191005765 /nfs/dbraw/zinc/00/57/65/191005765.db2.gz BFOVQQOPZPIYBC-HNNXBMFYSA-N 0 0 316.357 2.449 10 30 DEEERN C[C@@H]1[C@H](C)SCCN1C(=O)c1sccc1C#CCCO ZINC000133641569 186002070 /nfs/dbraw/zinc/00/20/70/186002070.db2.gz KOZALLBVAYZGEC-NEPJUHHUSA-N 0 0 309.456 2.448 10 30 DEEERN CCOC(=O)[C@@H](CNc1nccnc1C#N)Cc1ccccc1 ZINC000072082236 191034962 /nfs/dbraw/zinc/03/49/62/191034962.db2.gz WJVSSUWBMDGTAY-CQSZACIVSA-N 0 0 310.357 2.182 10 30 DEEERN N#Cc1cccc(N[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)n1 ZINC000072153083 191057151 /nfs/dbraw/zinc/05/71/51/191057151.db2.gz VGFXFOYSQDTRBM-OAHLLOKOSA-N 0 0 310.332 2.305 10 30 DEEERN CC1(C)CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000147427060 186040372 /nfs/dbraw/zinc/04/03/72/186040372.db2.gz IUYWQQKTULSUEX-UHFFFAOYSA-N 0 0 306.431 2.454 10 30 DEEERN Cc1cncc(C(=O)NCc2sccc2C#CCCO)c1 ZINC000148618564 186044833 /nfs/dbraw/zinc/04/48/33/186044833.db2.gz OWMSFSOFDJJBMS-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN C=CCNC(=O)NC(=O)[C@H](C)Nc1cc(F)ccc1OC(C)C ZINC000171124010 197884981 /nfs/dbraw/zinc/88/49/81/197884981.db2.gz SHDWTYGDNOBUKN-NSHDSACASA-N 0 0 323.368 2.425 10 30 DEEERN C=CCN(C)C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000155692840 186103532 /nfs/dbraw/zinc/10/35/32/186103532.db2.gz KXFCBDRSYSKVND-HIFRSBDPSA-N 0 0 321.808 2.439 10 30 DEEERN CC#CCCCC(=O)N[C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000616910005 362960239 /nfs/dbraw/zinc/96/02/39/362960239.db2.gz CIFZUQSEUQENRU-KRWDZBQOSA-N 0 0 307.434 2.254 10 30 DEEERN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H]1c1cnn(C)c1 ZINC000173319376 186176002 /nfs/dbraw/zinc/17/60/02/186176002.db2.gz BABVRNQQOGKQND-CXAGYDPISA-N 0 0 323.400 2.456 10 30 DEEERN C#C[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000186039462 186234277 /nfs/dbraw/zinc/23/42/77/186234277.db2.gz WVSGJBXQVYXBLT-COLVAYQJSA-N 0 0 307.344 2.031 10 30 DEEERN C#C[C@H](C)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000186039495 186234483 /nfs/dbraw/zinc/23/44/83/186234483.db2.gz WVSGJBXQVYXBLT-NZVBXONLSA-N 0 0 307.344 2.031 10 30 DEEERN C#CCOc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000188039174 186248024 /nfs/dbraw/zinc/24/80/24/186248024.db2.gz VJQQCKAOBNBSAA-UONOGXRCSA-N 0 0 302.374 2.371 10 30 DEEERN COC(=O)[C@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000265146233 186339605 /nfs/dbraw/zinc/33/96/05/186339605.db2.gz AAQXXAWWOYKPFL-JTQLQIEISA-N 0 0 313.279 2.361 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CNC(=O)NCc1ccco1 ZINC000617037427 363006877 /nfs/dbraw/zinc/00/68/77/363006877.db2.gz NCAXIYSZTYPBQZ-DZGCQCFKSA-N 0 0 319.405 2.330 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(=O)n(CCOC)c1 ZINC000617038474 363006926 /nfs/dbraw/zinc/00/69/26/363006926.db2.gz XPSKHMJCDDWTHQ-GOEBONIOSA-N 0 0 318.417 2.359 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ccncc1 ZINC000617042793 363007640 /nfs/dbraw/zinc/00/76/40/363007640.db2.gz VYVCRUOGIDFLQI-UKRRQHHQSA-N 0 0 301.390 2.063 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(C2CC2)C1=O ZINC000617044785 363008146 /nfs/dbraw/zinc/00/81/46/363008146.db2.gz RWYJGKIPYMNYEN-ZFWWWQNUSA-N 0 0 305.422 2.138 10 30 DEEERN C=CCOc1ccc(CC(=O)Nc2nnc(C3CC3)n2C)cc1 ZINC000617283065 363076515 /nfs/dbraw/zinc/07/65/15/363076515.db2.gz VRKOYMUPUAFRLJ-UHFFFAOYSA-N 0 0 312.373 2.439 10 30 DEEERN CCOc1ccc(C#N)cc1NC(=O)NCCn1cc(C)cn1 ZINC000172245383 198065128 /nfs/dbraw/zinc/06/51/28/198065128.db2.gz XZVBMPRKYCNQNV-UHFFFAOYSA-N 0 0 313.361 2.284 10 30 DEEERN C=CCCC1(CNC(=O)C[C@@H]2CCS(=O)(=O)C2)CCCC1 ZINC000617416502 363127079 /nfs/dbraw/zinc/12/70/79/363127079.db2.gz SVXWTROYXBNGMX-AWEZNQCLSA-N 0 0 313.463 2.454 10 30 DEEERN C[C@@H]1COC[C@@H](C)N1CC(=O)Nc1ccccc1SCC#N ZINC000072686040 191215840 /nfs/dbraw/zinc/21/58/40/191215840.db2.gz TZMAEJNSXPTELL-CHWSQXEVSA-N 0 0 319.430 2.350 10 30 DEEERN O=C(NCc1ccc(CN2CCOCC2)cc1)[C@@H]1CCCOC1 ZINC000328832447 539911145 /nfs/dbraw/zinc/91/11/45/539911145.db2.gz KTMWNLWVSIHHIG-QGZVFWFLSA-N 0 0 318.417 2.402 10 30 DEEERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)COC1CCOCC1 ZINC000329551857 539922944 /nfs/dbraw/zinc/92/29/44/539922944.db2.gz APEOOCNDUKUJLM-NSHDSACASA-N 0 0 309.410 2.120 10 30 DEEERN C=CCN(C(=O)c1cc2cc[nH]c(=O)c2s1)[C@H](C)COC ZINC000617585016 363197000 /nfs/dbraw/zinc/19/70/00/363197000.db2.gz QZMIAHAHAAEZSG-SNVBAGLBSA-N 0 0 306.387 2.253 10 30 DEEERN C=CCN(C(=O)c1cccc2c1CC(=O)CC2)[C@H](C)COC ZINC000617584023 363197090 /nfs/dbraw/zinc/19/70/90/363197090.db2.gz VGRCVHYVLNCREB-CYBMUJFWSA-N 0 0 301.386 2.408 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc2oc(=O)[nH]c2cc1F ZINC000617591361 363198460 /nfs/dbraw/zinc/19/84/60/363198460.db2.gz GEBYMDALUMNIBT-GFCCVEGCSA-N 0 0 321.308 2.082 10 30 DEEERN C[C@@H]1CC(NS(=O)(=O)c2ccc(N)cc2C#N)C[C@@H](C)C1 ZINC000084972658 192476819 /nfs/dbraw/zinc/47/68/19/192476819.db2.gz VDQGJKWLQAENIS-QWRGUYRKSA-N 0 0 307.419 2.243 10 30 DEEERN C=CC[C@H]1CCCN(C(=O)CNC(=O)c2ccc(OC)cc2)C1 ZINC000617789661 363264706 /nfs/dbraw/zinc/26/47/06/363264706.db2.gz PQVXKYHQBUILBH-AWEZNQCLSA-N 0 0 316.401 2.240 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2cc(-n3cnnn3)ccc2C)C1 ZINC000626278202 366133266 /nfs/dbraw/zinc/13/32/66/366133266.db2.gz JSFMVLUEXXREBV-ZDUSSCGKSA-N 0 0 312.377 2.401 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Nc2cc(-n3cnnn3)ccc2C)C1 ZINC000626278201 366133818 /nfs/dbraw/zinc/13/38/18/366133818.db2.gz JSFMVLUEXXREBV-CYBMUJFWSA-N 0 0 312.377 2.401 10 30 DEEERN COC(=O)CCC(C#N)(CCC(=O)OC)c1ccc(OC)cc1 ZINC000039188422 354168351 /nfs/dbraw/zinc/16/83/51/354168351.db2.gz PTUHEEGICRDZDR-UHFFFAOYSA-N 0 0 319.357 2.363 10 30 DEEERN CC1CCC(C#N)(NS(=O)(=O)c2ccccc2C#N)CC1 ZINC000040364747 354169659 /nfs/dbraw/zinc/16/96/59/354169659.db2.gz LRWHCYTWMGZURV-UHFFFAOYSA-N 0 0 303.387 2.309 10 30 DEEERN N#Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000032449135 354149959 /nfs/dbraw/zinc/14/99/59/354149959.db2.gz UMAVEOHQTZPKEG-CQSZACIVSA-N 0 0 307.357 2.203 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NC(CC)CC)cc2C1=O ZINC000046082360 354271068 /nfs/dbraw/zinc/27/10/68/354271068.db2.gz SOMASMQXFMZFHW-UHFFFAOYSA-N 0 0 300.358 2.387 10 30 DEEERN CC(C)[C@H](C)NC(=O)C1CCN(c2ccc(C#N)cn2)CC1 ZINC000054609529 354468118 /nfs/dbraw/zinc/46/81/18/354468118.db2.gz OBFJDEQFBHQPHY-ZDUSSCGKSA-N 0 0 300.406 2.330 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)Nc3cccnc3C)cc2C1=O ZINC000073347679 354955621 /nfs/dbraw/zinc/95/56/21/354955621.db2.gz ZKRLFZYIJRYBCO-UHFFFAOYSA-N 0 0 321.336 2.424 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cccc(C(=O)OCC)c1 ZINC000076854285 355171652 /nfs/dbraw/zinc/17/16/52/355171652.db2.gz AIXZLQHUQUPRAW-UHFFFAOYSA-N 0 0 311.403 2.450 10 30 DEEERN N#Cc1csc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000084188833 355474762 /nfs/dbraw/zinc/47/47/62/355474762.db2.gz XEQGPUFMIZASTK-ZDUSSCGKSA-N 0 0 317.414 2.094 10 30 DEEERN C=CCCCN(C)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000077595233 191742394 /nfs/dbraw/zinc/74/23/94/191742394.db2.gz YMHFFRGEOVEQTQ-HNNXBMFYSA-N 0 0 301.390 2.400 10 30 DEEERN C=CCOc1ccccc1CN1CCS(=O)(=O)C(C)(C)C1 ZINC000093735431 355685831 /nfs/dbraw/zinc/68/58/31/355685831.db2.gz XZWFCUCXSLDSMB-UHFFFAOYSA-N 0 0 309.431 2.260 10 30 DEEERN CSC[C@@H](CCO)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180675469 356056582 /nfs/dbraw/zinc/05/65/82/356056582.db2.gz TYCZCCURCRVEER-CQSZACIVSA-N 0 0 304.415 2.086 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000181101342 356072676 /nfs/dbraw/zinc/07/26/76/356072676.db2.gz KAFIJHNGTWBXFS-LSDHHAIUSA-N 0 0 306.410 2.038 10 30 DEEERN C[C@@H](C#N)CNC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000182709535 356141648 /nfs/dbraw/zinc/14/16/48/356141648.db2.gz OIMOVXIMMTVVBX-QWRGUYRKSA-N 0 0 308.332 2.002 10 30 DEEERN C[C@H](C#N)CNC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000182867808 356149290 /nfs/dbraw/zinc/14/92/90/356149290.db2.gz JVSBIWDKCLZYOW-YPMHNXCESA-N 0 0 301.346 2.421 10 30 DEEERN CCOC(=O)c1cccc(C#N)c1I ZINC000238265675 356303474 /nfs/dbraw/zinc/30/34/74/356303474.db2.gz RHQYFKQUJFFUMD-UHFFFAOYSA-N 0 0 301.083 2.340 10 30 DEEERN C#CCOc1ccccc1CNC(=O)c1nnn(C(C)C)c1C ZINC000292316130 222987051 /nfs/dbraw/zinc/98/70/51/222987051.db2.gz BCYPPGQCWINECQ-UHFFFAOYSA-N 0 0 312.373 2.109 10 30 DEEERN CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NC(=O)[C@H]2CCCO2)nn1 ZINC000328607364 356459643 /nfs/dbraw/zinc/45/96/43/356459643.db2.gz VXMISZKKKRPLDX-YNEHKIRRSA-N 0 0 322.409 2.125 10 30 DEEERN Cc1n[nH]cc1CNC(=O)[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C ZINC000328614092 356460776 /nfs/dbraw/zinc/46/07/76/356460776.db2.gz VGEOUYWHEITJEE-ZFWWWQNUSA-N 0 0 317.393 2.303 10 30 DEEERN Cc1csc(CCNS(=O)(=O)c2ccc(CC#N)cc2)n1 ZINC000081300329 192248484 /nfs/dbraw/zinc/24/84/84/192248484.db2.gz YGMDVOWYLLEMRD-UHFFFAOYSA-N 0 0 321.427 2.039 10 30 DEEERN N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000081673925 192310918 /nfs/dbraw/zinc/31/09/18/192310918.db2.gz CGOUROCZQTWFJR-GMSGAONNSA-N 0 0 320.201 2.359 10 30 DEEERN C=CCNC(=O)Cc1noc([C@H]2Cc3cc(Cl)ccc3O2)n1 ZINC000350707887 356561338 /nfs/dbraw/zinc/56/13/38/356561338.db2.gz AMMVFJVMENREQK-GFCCVEGCSA-N 0 0 319.748 2.244 10 30 DEEERN N#CCc1ccc(NS(=O)(=O)c2cnc(N)c(Cl)c2)cc1 ZINC000081694839 192314160 /nfs/dbraw/zinc/31/41/60/192314160.db2.gz IGWWZEOWGUGDAE-UHFFFAOYSA-N 0 0 322.777 2.184 10 30 DEEERN C=CCOCCCNC(=O)c1ncsc1Br ZINC000618525157 363515592 /nfs/dbraw/zinc/51/55/92/363515592.db2.gz BVPYPPKOMTXGDB-UHFFFAOYSA-N 0 0 305.197 2.228 10 30 DEEERN C=CCOCCCNC(=O)c1ccnc(N2CC[C@H](C)C2)c1 ZINC000618525395 363515707 /nfs/dbraw/zinc/51/57/07/363515707.db2.gz DFULXJWFWLEMKE-AWEZNQCLSA-N 0 0 303.406 2.250 10 30 DEEERN C=CCOCCCNC(=O)c1c(C)onc1-c1cccnc1 ZINC000618525798 363515965 /nfs/dbraw/zinc/51/59/65/363515965.db2.gz MOGDDSMXATUCKT-UHFFFAOYSA-N 0 0 301.346 2.368 10 30 DEEERN CC(C)(C)[C@@H](COc1cccc(F)c1C#N)CS(N)(=O)=O ZINC000086565639 192581738 /nfs/dbraw/zinc/58/17/38/192581738.db2.gz UWIDEJAUBWGTEB-JTQLQIEISA-N 0 0 314.382 2.027 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCCN3)C1 ZINC000626844446 366344696 /nfs/dbraw/zinc/34/46/96/366344696.db2.gz MVUQPFCEEPFMCC-CYBMUJFWSA-N 0 0 313.401 2.408 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC000521791690 356743151 /nfs/dbraw/zinc/74/31/51/356743151.db2.gz YYSCUWWIFQVZGS-LLVKDONJSA-N 0 0 306.328 2.068 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@H](C)C[C@H]1C ZINC000578106308 356761275 /nfs/dbraw/zinc/76/12/75/356761275.db2.gz HTDVHQIUQIFSSQ-MCIONIFRSA-N 0 0 306.410 2.177 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000578881479 356886887 /nfs/dbraw/zinc/88/68/87/356886887.db2.gz SSCHEXPCYXVBLS-QFIPXVFZSA-N 0 0 322.430 2.225 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1ccnc(SC)c1 ZINC000581737136 357242272 /nfs/dbraw/zinc/24/22/72/357242272.db2.gz XUGYSKGKTHCZSA-UHFFFAOYSA-N 0 0 321.446 2.282 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588039384 357390320 /nfs/dbraw/zinc/39/03/20/357390320.db2.gz UYUQSWCFQYHEHF-ZUZCIYMTSA-N 0 0 307.350 2.062 10 30 DEEERN C=CCn1c([C@H]2CCCS2)nnc1N(CCC#N)CCOC ZINC000591622366 357744846 /nfs/dbraw/zinc/74/48/46/357744846.db2.gz ULUUCGKAIAPWJS-CYBMUJFWSA-N 0 0 321.450 2.399 10 30 DEEERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CCOc2ccc(C#N)cc2)C1 ZINC000591653440 357748232 /nfs/dbraw/zinc/74/82/32/357748232.db2.gz OSDUUOGOVVTCIL-CVEARBPZSA-N 0 0 312.373 2.122 10 30 DEEERN C=CCC[C@H](CO)NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593603331 358109373 /nfs/dbraw/zinc/10/93/73/358109373.db2.gz AWYMQLSCPJDFRA-CQSZACIVSA-N 0 0 322.430 2.093 10 30 DEEERN C=C(C)Cn1c(COC)nnc1N1Cc2ccc(C#N)cc2C1 ZINC000594471356 358279411 /nfs/dbraw/zinc/27/94/11/358279411.db2.gz DHFHDVAZHGZQHG-UHFFFAOYSA-N 0 0 309.373 2.392 10 30 DEEERN COc1cc(C)cc(NC(=O)NC2CCN(CC#N)CC2)c1C ZINC000618779464 363601884 /nfs/dbraw/zinc/60/18/84/363601884.db2.gz YOPDXESYKICQSG-UHFFFAOYSA-N 0 0 316.405 2.422 10 30 DEEERN C=CCCn1cc(CSCc2cccc(C(N)=O)c2)nn1 ZINC000594556496 358294110 /nfs/dbraw/zinc/29/41/10/358294110.db2.gz NXYWWYHDFVMXBC-UHFFFAOYSA-N 0 0 302.403 2.387 10 30 DEEERN C=CCCS(=O)(=O)N[C@H](C(=O)OCC)C1CCCCCC1 ZINC000594482808 358281238 /nfs/dbraw/zinc/28/12/38/358281238.db2.gz ZELCKYJVCIEQRT-AWEZNQCLSA-N 0 0 317.451 2.384 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cncc(C#N)c1 ZINC000594790147 358337707 /nfs/dbraw/zinc/33/77/07/358337707.db2.gz SIAHGURXHRBAJN-UKRRQHHQSA-N 0 0 305.403 2.366 10 30 DEEERN C[C@]1(CNS(=O)(=O)Cc2ccc(C#N)cc2)CC1(F)F ZINC000594853473 358348935 /nfs/dbraw/zinc/34/89/35/358348935.db2.gz YFXIZAPIJDFXKH-GFCCVEGCSA-N 0 0 300.330 2.023 10 30 DEEERN C=CCOCCCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000594852623 358348998 /nfs/dbraw/zinc/34/89/98/358348998.db2.gz NCQOOEGIBLKEQT-UHFFFAOYSA-N 0 0 322.430 2.359 10 30 DEEERN C=CCC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCC1 ZINC000594868336 358351353 /nfs/dbraw/zinc/35/13/53/358351353.db2.gz DPRCOXQYSTXMAI-UHFFFAOYSA-N 0 0 311.363 2.157 10 30 DEEERN C=CCNC(=O)NC(=O)CSc1cc(C(F)(F)F)ccn1 ZINC000594906096 358355444 /nfs/dbraw/zinc/35/54/44/358355444.db2.gz CCJILBZBOBNCFZ-UHFFFAOYSA-N 0 0 319.308 2.204 10 30 DEEERN C=C(C)CS(=O)(=O)NC[C@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000595416651 358442083 /nfs/dbraw/zinc/44/20/83/358442083.db2.gz IJCKEHZEWNWVPR-ZDUSSCGKSA-N 0 0 317.451 2.240 10 30 DEEERN C=CCCSCCNC(=O)NC[C@@H](O)Cc1ccccc1 ZINC000595719564 358532043 /nfs/dbraw/zinc/53/20/43/358532043.db2.gz AEEMRQKUMCMHQX-HNNXBMFYSA-N 0 0 308.447 2.199 10 30 DEEERN C=CCCSCCNC(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000595722891 358533164 /nfs/dbraw/zinc/53/31/64/358533164.db2.gz IXLOACDGKCECMZ-CYBMUJFWSA-N 0 0 308.394 2.361 10 30 DEEERN C=CCSCCNC(=O)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596003414 358592555 /nfs/dbraw/zinc/59/25/55/358592555.db2.gz QHUHBAKWGDSGAF-UHFFFAOYSA-N 0 0 308.451 2.423 10 30 DEEERN C=C(C)CN(CC)C(=O)CSC[C@@H](OC)[C@H]1CCOC1 ZINC000596397989 358679147 /nfs/dbraw/zinc/67/91/47/358679147.db2.gz TVXKDRZVOWQEIT-UONOGXRCSA-N 0 0 301.452 2.196 10 30 DEEERN CO[C@@](C)(CNc1cnc(C#N)cn1)COCc1ccccc1 ZINC000596421556 358683091 /nfs/dbraw/zinc/68/30/91/358683091.db2.gz LYGHEDVVWBVIFF-KRWDZBQOSA-N 0 0 312.373 2.382 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000596840853 358772618 /nfs/dbraw/zinc/77/26/18/358772618.db2.gz DLOAVKBWHXESCJ-NHYWBVRUSA-N 0 0 319.361 2.243 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ncc(C(=O)OCC)n1C ZINC000596905736 358785394 /nfs/dbraw/zinc/78/53/94/358785394.db2.gz RUWDXEBPWSDLIM-TXEJJXNPSA-N 0 0 318.377 2.312 10 30 DEEERN C=CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CC#N)C1 ZINC000597281612 358877863 /nfs/dbraw/zinc/87/78/63/358877863.db2.gz KTIBDTPCTHKFGB-ZIAGYGMSSA-N 0 0 301.394 2.446 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@H](CC)C3CC3)cc2C1=O ZINC000618862017 363619888 /nfs/dbraw/zinc/61/98/88/363619888.db2.gz YLXRWPGZMMJQSZ-OAHLLOKOSA-N 0 0 312.369 2.387 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(Br)cc1F ZINC000185755619 199884429 /nfs/dbraw/zinc/88/44/29/199884429.db2.gz YRWFJMXEIKRDMA-VIFPVBQESA-N 0 0 302.143 2.255 10 30 DEEERN C=C[C@H](O)C(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000597822298 359015607 /nfs/dbraw/zinc/01/56/07/359015607.db2.gz OYBRAEUKDLGZHY-ILXRZTDVSA-N 0 0 317.385 2.220 10 30 DEEERN C=CC(C)(C)C(=O)N1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000598149238 359108262 /nfs/dbraw/zinc/10/82/62/359108262.db2.gz CZRCWFOSYKQEBA-SJKOYZFVSA-N 0 0 309.406 2.015 10 30 DEEERN C=CCOCCCNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000598208827 359122545 /nfs/dbraw/zinc/12/25/45/359122545.db2.gz PSSWIZUDKIZJGU-UHFFFAOYSA-N 0 0 312.297 2.065 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C(=O)OC)[C@H]2CCCC[C@@H]21 ZINC000598182870 359115595 /nfs/dbraw/zinc/11/55/95/359115595.db2.gz PYUYEEJWFREJEW-LEOABGAYSA-N 0 0 321.417 2.158 10 30 DEEERN C=CCOCCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598209740 359124158 /nfs/dbraw/zinc/12/41/58/359124158.db2.gz VURYHHJRSGBVCJ-UHFFFAOYSA-N 0 0 303.318 2.399 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000185983369 199912569 /nfs/dbraw/zinc/91/25/69/199912569.db2.gz LDMSSIDUAUSCNU-GFCCVEGCSA-N 0 0 300.362 2.112 10 30 DEEERN C=C(C)COCCNC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000599010492 359382023 /nfs/dbraw/zinc/38/20/23/359382023.db2.gz AELYRMPSCKMICT-UHFFFAOYSA-N 0 0 313.401 2.413 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000598801636 359330635 /nfs/dbraw/zinc/33/06/35/359330635.db2.gz MIXXOVQMPWETIC-CQSZACIVSA-N 0 0 305.334 2.313 10 30 DEEERN CN1CCOC[C@@H]1CNc1cccc(Br)c1C#N ZINC000599159337 359418729 /nfs/dbraw/zinc/41/87/29/359418729.db2.gz AOVZQDDRNJMWMV-JTQLQIEISA-N 0 0 310.195 2.063 10 30 DEEERN N#Cc1cc(F)c(N[C@H]2CCOC[C@H]2O)cc1Br ZINC000599175613 359425842 /nfs/dbraw/zinc/42/58/42/359425842.db2.gz FHUBONVASVBYGT-CMPLNLGQSA-N 0 0 315.142 2.022 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1ccccc1C(=O)OC ZINC000599359439 359475703 /nfs/dbraw/zinc/47/57/03/359475703.db2.gz BGIKFBUGUKREBZ-UHFFFAOYSA-N 0 0 311.403 2.354 10 30 DEEERN C=CC[C@@H]1CCN(CC(=O)Nc2ccsc2C(=O)OC)C1 ZINC000599526793 359516614 /nfs/dbraw/zinc/51/66/14/359516614.db2.gz SPUGYUUCMPXZKR-LLVKDONJSA-N 0 0 308.403 2.371 10 30 DEEERN C=CC[C@@H]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000599526834 359517134 /nfs/dbraw/zinc/51/71/34/359517134.db2.gz URBNUJIBZNFFET-CQSZACIVSA-N 0 0 304.415 2.230 10 30 DEEERN C=CC[C@H]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000599526833 359517362 /nfs/dbraw/zinc/51/73/62/359517362.db2.gz URBNUJIBZNFFET-AWEZNQCLSA-N 0 0 304.415 2.230 10 30 DEEERN C=CCC[C@H](O)CN1CCc2c(F)ccc(C(=O)OC)c2C1 ZINC000599550265 359522729 /nfs/dbraw/zinc/52/27/29/359522729.db2.gz ADOCAAXONHSHCC-LBPRGKRZSA-N 0 0 307.365 2.298 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000599374444 359481829 /nfs/dbraw/zinc/48/18/29/359481829.db2.gz JUOWTDMLGWGGDW-GFCCVEGCSA-N 0 0 310.375 2.490 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cc(C(=O)OC)cs1 ZINC000599994813 359631610 /nfs/dbraw/zinc/63/16/10/359631610.db2.gz LDJKLZUZBRDFJM-UHFFFAOYSA-N 0 0 324.402 2.192 10 30 DEEERN CC[C@]1(CO)CCCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000187091353 200060096 /nfs/dbraw/zinc/06/00/96/200060096.db2.gz ZNJBKYKQGXQNOG-KDOFPFPSSA-N 0 0 316.401 2.337 10 30 DEEERN COC(=O)COc1ccc(CN(C)Cc2ccc(C#N)o2)cc1 ZINC000187433372 200111643 /nfs/dbraw/zinc/11/16/43/200111643.db2.gz PJJGKCQRJIHENY-UHFFFAOYSA-N 0 0 314.341 2.335 10 30 DEEERN C=CCCC(=O)N[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000600541879 359763937 /nfs/dbraw/zinc/76/39/37/359763937.db2.gz XKLYLMZICXKPAK-HNNXBMFYSA-N 0 0 306.318 2.065 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccnn1C(C)(C)C ZINC000627686016 366591827 /nfs/dbraw/zinc/59/18/27/366591827.db2.gz QLIUCUCTKDCQJK-UHFFFAOYSA-N 0 0 306.410 2.295 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cnc2c(C)cccn12 ZINC000619015714 363671009 /nfs/dbraw/zinc/67/10/09/363671009.db2.gz IYNBBQZUDFYEOH-ZDUSSCGKSA-N 0 0 300.362 2.052 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)c1cn2c(n1)COCC2 ZINC000627762477 366615050 /nfs/dbraw/zinc/61/50/50/366615050.db2.gz GCHXUIYFRKEPTC-HNNXBMFYSA-N 0 0 311.385 2.331 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=O)CCCCC(=O)OC ZINC000188756282 200299665 /nfs/dbraw/zinc/29/96/65/200299665.db2.gz HYMLTGKRAGESAO-UHFFFAOYSA-N 0 0 318.373 2.274 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2[C@H](C)C2CC2)C1 ZINC000627733881 366603379 /nfs/dbraw/zinc/60/33/79/366603379.db2.gz GRCJKKHHGOYSHH-CHWSQXEVSA-N 0 0 316.405 2.217 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc3nc(C)oc3c2)C1 ZINC000627736230 366604412 /nfs/dbraw/zinc/60/44/12/366604412.db2.gz QRKHKDCAGUHIDD-GFCCVEGCSA-N 0 0 313.357 2.499 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2F)C1 ZINC000627735205 366604785 /nfs/dbraw/zinc/60/47/85/366604785.db2.gz NIPVAQOFUFFBJQ-VIFPVBQESA-N 0 0 312.291 2.467 10 30 DEEERN C=CCCC(C)(C)CNS(=O)(=O)CC(C)(C)C(=O)OC ZINC000601497856 360054640 /nfs/dbraw/zinc/05/46/40/360054640.db2.gz DUZCINIGPMDHKY-UHFFFAOYSA-N 0 0 305.440 2.097 10 30 DEEERN C=C(C)C[C@H](NS(=O)(=O)c1sc(C)cc1C)C(=O)OC ZINC000601502770 360056600 /nfs/dbraw/zinc/05/66/00/360056600.db2.gz XOQMDTQSAFVWOT-NSHDSACASA-N 0 0 317.432 2.151 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)CC1(C(=O)OCC)CCOCC1 ZINC000601537148 360066080 /nfs/dbraw/zinc/06/60/80/360066080.db2.gz VDXDIAYEHNGYLA-CQSZACIVSA-N 0 0 309.406 2.304 10 30 DEEERN C=C(C)C[C@H](NC(=O)COc1cc(C)ccc1C)C(=O)OC ZINC000601771608 360140366 /nfs/dbraw/zinc/14/03/66/360140366.db2.gz IYUYDKNJOQJLGA-AWEZNQCLSA-N 0 0 305.374 2.306 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCOc1ccc(OC)cc1)C(=O)OC ZINC000601772242 360141399 /nfs/dbraw/zinc/14/13/99/360141399.db2.gz OEZYJGOKTHWBQW-OAHLLOKOSA-N 0 0 321.373 2.088 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cc(C)nc2onc(C)c21)C(=O)OC ZINC000601780405 360144363 /nfs/dbraw/zinc/14/43/63/360144363.db2.gz XQXGGVPTHQCOQF-LBPRGKRZSA-N 0 0 317.345 2.077 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cncc(C(F)(F)F)c1)C(=O)OC ZINC000601781983 360146759 /nfs/dbraw/zinc/14/67/59/360146759.db2.gz NDODFRYWJBLIRI-LLVKDONJSA-N 0 0 316.279 2.338 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(OC)c(OC)c1C)C(=O)OC ZINC000601782057 360146896 /nfs/dbraw/zinc/14/68/96/360146896.db2.gz NUUCNVCDTLPGCX-ZDUSSCGKSA-N 0 0 321.373 2.250 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](O)[C@H](C)c1ccc(C)cc1)C(=O)OC ZINC000601788001 360150429 /nfs/dbraw/zinc/15/04/29/360150429.db2.gz NYXWYOWGPOYFDX-KBMXLJTQSA-N 0 0 319.401 2.083 10 30 DEEERN C=CCC1(C(=O)NC[C@@]2(C(=O)OCC)CCCOC2)CCC1 ZINC000601869674 360179354 /nfs/dbraw/zinc/17/93/54/360179354.db2.gz LUKHJZCYFWQCIE-KRWDZBQOSA-N 0 0 309.406 2.209 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H](CC(C)C)n1ccnc1)C(=O)OC ZINC000602193585 360307202 /nfs/dbraw/zinc/30/72/02/360307202.db2.gz CAZOMTAZQYYABY-KGLIPLIRSA-N 0 0 307.394 2.094 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccccc1OC1CC1)C(=O)OC ZINC000602414060 360361494 /nfs/dbraw/zinc/36/14/94/360361494.db2.gz MFPLLDUFEUZZSO-CQSZACIVSA-N 0 0 303.358 2.465 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)NCCOCC(=O)OC(C)(C)C ZINC000602396518 360356957 /nfs/dbraw/zinc/35/69/57/360356957.db2.gz ZAPYNFUFQLRADE-CYBMUJFWSA-N 0 0 312.410 2.095 10 30 DEEERN C[C@@]12CCN(S(=O)(=O)c3ccccc3C#N)C[C@@H]1C2(F)F ZINC000292407682 223058065 /nfs/dbraw/zinc/05/80/65/223058065.db2.gz UEURPESZZGBANO-QWHCGFSZSA-N 0 0 312.341 2.224 10 30 DEEERN C=CCCCNC(=O)NCc1ccc(C(=O)OC)c(OC)c1 ZINC000619207941 363736229 /nfs/dbraw/zinc/73/62/29/363736229.db2.gz OILWXAZQMLDQEB-UHFFFAOYSA-N 0 0 306.362 2.247 10 30 DEEERN C=CCN(CCC#N)Cc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602673588 360489064 /nfs/dbraw/zinc/48/90/64/360489064.db2.gz WBQLWWASKMVBNH-UHFFFAOYSA-N 0 0 304.394 2.277 10 30 DEEERN C=C(C)C[C@H](NCc1ccc(N2CCCC2)nc1)C(=O)OC ZINC000602732954 360523986 /nfs/dbraw/zinc/52/39/86/360523986.db2.gz FHFHSDGOGNVUPS-HNNXBMFYSA-N 0 0 303.406 2.279 10 30 DEEERN C=C(C)C[C@H](NCc1cccc2c1OCCCO2)C(=O)OC ZINC000602733037 360524239 /nfs/dbraw/zinc/52/42/39/360524239.db2.gz HBBWAVVUJWMYIW-AWEZNQCLSA-N 0 0 305.374 2.445 10 30 DEEERN CC(=O)N(C)c1ccc(NC(=O)N(C)[C@@H]2CCC[C@H]2C#N)cn1 ZINC000603037406 360677419 /nfs/dbraw/zinc/67/74/19/360677419.db2.gz DWVYPFBJDDIGAL-GXTWGEPZSA-N 0 0 315.377 2.220 10 30 DEEERN C=CCCOCC(=O)N[C@H](Cc1nccn1C)c1ccccc1 ZINC000608208152 361184101 /nfs/dbraw/zinc/18/41/01/361184101.db2.gz IFSGRYVZMOQYQO-MRXNPFEDSA-N 0 0 313.401 2.413 10 30 DEEERN C[C@H](NC(=O)C1CCCC1)C(=O)NCc1ccc(C#N)cc1F ZINC000609232131 361291276 /nfs/dbraw/zinc/29/12/76/361291276.db2.gz YRCDKWROECCIBY-NSHDSACASA-N 0 0 317.364 2.008 10 30 DEEERN N#Cc1ccc(CNC(=O)N[C@@H](CO)C2CCCCC2)c(F)c1 ZINC000609254034 361292085 /nfs/dbraw/zinc/29/20/85/361292085.db2.gz VJISZZROOUOUKF-INIZCTEOSA-N 0 0 319.380 2.438 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C2CCCC2)CCNC1=O ZINC000628142423 366736630 /nfs/dbraw/zinc/73/66/30/366736630.db2.gz CHXRCBWUPWDNLP-DAYGRLMNSA-N 0 0 302.418 2.393 10 30 DEEERN C=C(C)[C@@H](CO)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000619297703 363758544 /nfs/dbraw/zinc/75/85/44/363758544.db2.gz HSTNEQDPLHLKLX-DLBZAZTESA-N 0 0 319.836 2.459 10 30 DEEERN C=CC(C)(C)CCNC(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000628317980 366807475 /nfs/dbraw/zinc/80/74/75/366807475.db2.gz JNJKNKAOJHHYNE-UHFFFAOYSA-N 0 0 313.405 2.367 10 30 DEEERN CC[C@H]1CN(Cc2ccc(OC)c(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000619434181 363793167 /nfs/dbraw/zinc/79/31/67/363793167.db2.gz MDNXNSJYARAIQQ-FUHWJXTLSA-N 0 0 316.401 2.337 10 30 DEEERN C=CCOCCNC(=O)Nc1cc(C(=O)OC)c(F)cc1F ZINC000611556195 361629590 /nfs/dbraw/zinc/62/95/90/361629590.db2.gz CLLDPJBFKFZDNF-UHFFFAOYSA-N 0 0 314.288 2.076 10 30 DEEERN C=CCOCCNC(=O)Nc1ccc(CCC(=O)OC)cc1 ZINC000611557039 361629626 /nfs/dbraw/zinc/62/96/26/361629626.db2.gz HMKBSLIJOHETRL-UHFFFAOYSA-N 0 0 306.362 2.116 10 30 DEEERN COC(=O)C(C)(C)[C@@H](NC(=O)NC[C@H](C)C#N)c1ccccc1 ZINC000611627234 361648368 /nfs/dbraw/zinc/64/83/68/361648368.db2.gz IIVYZSJUCQVICG-OCCSQVGLSA-N 0 0 317.389 2.386 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000611628000 361648380 /nfs/dbraw/zinc/64/83/80/361648380.db2.gz AJNXXFOTKSHKJM-JQWIXIFHSA-N 0 0 322.409 2.015 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCC(O)(CC)CC ZINC000611674966 361654879 /nfs/dbraw/zinc/65/48/79/361654879.db2.gz VVAHNIFHYOEVMD-CABCVRRESA-N 0 0 324.465 2.295 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC(C)(C)C(C)(C)O ZINC000611926887 361706148 /nfs/dbraw/zinc/70/61/48/361706148.db2.gz QQFRJACOBUVMDJ-KBPBESRZSA-N 0 0 324.465 2.151 10 30 DEEERN Cn1cc(CNC(=O)c2ccccc2-c2ccccc2C#N)nn1 ZINC000611956796 361712561 /nfs/dbraw/zinc/71/25/61/361712561.db2.gz KHQWMXBKIJXEKS-UHFFFAOYSA-N 0 0 317.352 2.284 10 30 DEEERN CC(=O)N1CCC[C@@H](CNc2cc(C#N)nc3ccccc32)C1 ZINC000619502772 363812701 /nfs/dbraw/zinc/81/27/01/363812701.db2.gz SNXOMCLUJKGZOZ-AWEZNQCLSA-N 0 0 308.385 2.199 10 30 DEEERN CC[C@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CCCO1 ZINC000619588647 363835727 /nfs/dbraw/zinc/83/57/27/363835727.db2.gz OZBHJTSLXZGVRQ-AWEZNQCLSA-N 0 0 305.353 2.408 10 30 DEEERN C[C@H](C(=O)N1CC(C)(C)[C@@H]1c1ccccc1)n1cnc(C#N)n1 ZINC000619588424 363835519 /nfs/dbraw/zinc/83/55/19/363835519.db2.gz ABASPMUVVIEKSG-DOMZBBRYSA-N 0 0 309.373 2.320 10 30 DEEERN N#Cc1ccc(CNC(=O)N2CCC3(CCO3)CC2)c(F)c1 ZINC000619733491 363868563 /nfs/dbraw/zinc/86/85/63/363868563.db2.gz YHXKAKQXPOXUER-UHFFFAOYSA-N 0 0 303.337 2.162 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1CCC2(COC2)C1 ZINC000620288963 364010353 /nfs/dbraw/zinc/01/03/53/364010353.db2.gz BZJIJAKEHWLDLA-UHFFFAOYSA-N 0 0 303.358 2.123 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCCN1C1CCCC1 ZINC000620304161 364012791 /nfs/dbraw/zinc/01/27/91/364012791.db2.gz RNVLPGOVGVVZPS-BBWFWOEESA-N 0 0 304.434 2.339 10 30 DEEERN CC(=O)c1cccc(O[C@H](C)C(=O)N2CC[C@](C)(C#N)C2)c1 ZINC000620302007 364012803 /nfs/dbraw/zinc/01/28/03/364012803.db2.gz ZZWGDQNAFJGFKG-CXAGYDPISA-N 0 0 300.358 2.419 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)NC(=O)COC(C)(C)C ZINC000620300977 364012858 /nfs/dbraw/zinc/01/28/58/364012858.db2.gz CNQMNEFERZWAMM-OKILXGFUSA-N 0 0 322.449 2.406 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000620302160 364012918 /nfs/dbraw/zinc/01/29/18/364012918.db2.gz SUWVNSRSXUSTHJ-YIDVYQOGSA-N 0 0 302.418 2.391 10 30 DEEERN C=CC[C@H](CC)NC(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621518125 364435202 /nfs/dbraw/zinc/43/52/02/364435202.db2.gz ROQWMGIHGMMXRT-ZFWWWQNUSA-N 0 0 322.430 2.310 10 30 DEEERN C=CC[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1 ZINC000628482150 366862933 /nfs/dbraw/zinc/86/29/33/366862933.db2.gz GATXWNHYHYAEDL-DOTOQJQBSA-N 0 0 312.413 2.460 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)C1 ZINC000628485530 366863950 /nfs/dbraw/zinc/86/39/50/366863950.db2.gz NJLAVJHWSIHHJG-CYBMUJFWSA-N 0 0 313.405 2.465 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)C1 ZINC000628485268 366864012 /nfs/dbraw/zinc/86/40/12/366864012.db2.gz GBNBCVPJUBRDQJ-AWEZNQCLSA-N 0 0 309.369 2.271 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Cn2nc(-c3ccccc3)ccc2=O)C1 ZINC000628486783 366864203 /nfs/dbraw/zinc/86/42/03/366864203.db2.gz PTHLCPZMIVINCN-HNNXBMFYSA-N 0 0 323.396 2.335 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cnc3sc(C)cn3c2=O)C1 ZINC000628489904 366865159 /nfs/dbraw/zinc/86/51/59/366865159.db2.gz KQGMXPPCOVFGHM-NSHDSACASA-N 0 0 303.387 2.103 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Cc2nnc(-c3ccccc3)n2C)C1 ZINC000628491523 366865430 /nfs/dbraw/zinc/86/54/30/366865430.db2.gz ABZZIDWJLQFNTP-AWEZNQCLSA-N 0 0 310.401 2.449 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C)nc(C(C)C)n1 ZINC000622790871 364797366 /nfs/dbraw/zinc/79/73/66/364797366.db2.gz IZFMOPVSZNSYBO-CYBMUJFWSA-N 0 0 304.394 2.318 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C)c2cc(F)ccc21 ZINC000622816783 364802036 /nfs/dbraw/zinc/80/20/36/364802036.db2.gz NIUSVSBXDRGWMR-AWEZNQCLSA-N 0 0 319.380 2.079 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc(C)c2c(n1)CCCC2 ZINC000622775248 364793342 /nfs/dbraw/zinc/79/33/42/364793342.db2.gz LTAVSJYOCNYPEI-OAHLLOKOSA-N 0 0 316.405 2.073 10 30 DEEERN C=CCC1(C(=O)Nc2cc(C)nnc2N(C)C)CCOCC1 ZINC000622908044 364829587 /nfs/dbraw/zinc/82/95/87/364829587.db2.gz ZNVRFGQBCPURGE-UHFFFAOYSA-N 0 0 304.394 2.162 10 30 DEEERN C=CCCNC(=O)N1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000623135310 364893981 /nfs/dbraw/zinc/89/39/81/364893981.db2.gz HIIKUEVRMVIYNZ-UHFFFAOYSA-N 0 0 319.405 2.376 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC000623482922 365045492 /nfs/dbraw/zinc/04/54/92/365045492.db2.gz LZBJNNBYDVYMIG-CYBMUJFWSA-N 0 0 318.373 2.402 10 30 DEEERN C=CCCn1cc(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)nn1 ZINC000623615035 365101258 /nfs/dbraw/zinc/10/12/58/365101258.db2.gz MMQISLMNLWDPOC-KRWDZBQOSA-N 0 0 303.454 2.351 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2ncnn2-c2ccccc2)C1 ZINC000623952820 365232234 /nfs/dbraw/zinc/23/22/34/365232234.db2.gz CSQILVHMPNGOGY-CQSZACIVSA-N 0 0 311.389 2.375 10 30 DEEERN CSC1(C#N)CCN(C(=O)[C@@H]2COc3ccccc32)CC1 ZINC000091475406 193061075 /nfs/dbraw/zinc/06/10/75/193061075.db2.gz YZCKLPJBYLQIGB-CYBMUJFWSA-N 0 0 302.399 2.410 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000624163766 365314097 /nfs/dbraw/zinc/31/40/97/365314097.db2.gz JWYVIWGRVINRFN-BBWFWOEESA-N 0 0 316.401 2.161 10 30 DEEERN COc1cccc(C(=O)N2CCC(C#N)(SC)CC2)c1O ZINC000091477291 193062685 /nfs/dbraw/zinc/06/26/85/193062685.db2.gz CPBCNGUIUXFNBX-UHFFFAOYSA-N 0 0 306.387 2.262 10 30 DEEERN N#C[C@H]1COCCN1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091685345 193091322 /nfs/dbraw/zinc/09/13/22/193091322.db2.gz ZLMFHQUMUSQLNB-KBPBESRZSA-N 0 0 305.765 2.057 10 30 DEEERN N#C[C@@H]1CNCCN1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000091748312 193101307 /nfs/dbraw/zinc/10/13/07/193101307.db2.gz SKYFNICCLXELBV-CQSZACIVSA-N 0 0 302.765 2.292 10 30 DEEERN C=CCCNC(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000624345813 365389644 /nfs/dbraw/zinc/38/96/44/365389644.db2.gz WKVBLJXPNUUOBY-OAHLLOKOSA-N 0 0 323.824 2.421 10 30 DEEERN C=CC(C)(C)CCNC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000624306667 365374069 /nfs/dbraw/zinc/37/40/69/365374069.db2.gz LITNKRFTZYFZSZ-SOUVJXGZSA-N 0 0 311.470 2.386 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1C[C@@H](CC)S(=O)(=O)[C@@H](C)C1 ZINC000624462744 365429851 /nfs/dbraw/zinc/42/98/51/365429851.db2.gz BSUOLJKISXYQLI-QWHCGFSZSA-N 0 0 316.467 2.196 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000624465510 365431428 /nfs/dbraw/zinc/43/14/28/365431428.db2.gz SUUGPEJHCKVELD-OLZOCXBDSA-N 0 0 316.467 2.244 10 30 DEEERN C=CC(C)(C)CCNC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000624466104 365431574 /nfs/dbraw/zinc/43/15/74/365431574.db2.gz IHCKEHLXRITKMG-VXGBXAGGSA-N 0 0 304.456 2.052 10 30 DEEERN C[C@@H]1CCCN(C(=O)N(C)Cc2csc(C#CCO)c2)C1 ZINC000091992319 193138209 /nfs/dbraw/zinc/13/82/09/193138209.db2.gz IQIKPZOSCJVTMK-CYBMUJFWSA-N 0 0 306.431 2.376 10 30 DEEERN C=CCC[C@H](C(=O)NC[C@@H]1COCCN1C)c1ccccc1 ZINC000628915913 367011918 /nfs/dbraw/zinc/01/19/18/367011918.db2.gz VOYRUJGJQNXZLH-SJORKVTESA-N 0 0 302.418 2.183 10 30 DEEERN C=CCOc1ccccc1C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000629928443 367381490 /nfs/dbraw/zinc/38/14/90/367381490.db2.gz BGTANMAEHKCVLH-OAHLLOKOSA-N 0 0 314.385 2.135 10 30 DEEERN C/C=C\C[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)C(=O)OCC ZINC000450917231 242389540 /nfs/dbraw/zinc/38/95/40/242389540.db2.gz SQPYANFFQRPWQX-PSEBICBPSA-N 0 0 304.390 2.475 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2ccc(OC)c(OC)c2OC)C1=O ZINC000630513675 367699435 /nfs/dbraw/zinc/69/94/35/367699435.db2.gz RJBYALASHWOXSM-SNVBAGLBSA-N 0 0 320.345 2.103 10 30 DEEERN CC[C@@H](C)N(CCOC)S(=O)(=O)c1ccc(CC#N)cc1 ZINC000092131763 193166945 /nfs/dbraw/zinc/16/69/45/193166945.db2.gz JRUPJSFIWBIDRP-CYBMUJFWSA-N 0 0 310.419 2.188 10 30 DEEERN C=C1CC(C)(C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C1 ZINC000630766174 367836309 /nfs/dbraw/zinc/83/63/09/367836309.db2.gz FVQOKEXNFYKNRU-UHFFFAOYSA-N 0 0 302.374 2.448 10 30 DEEERN C=C1CC(C)(C(=O)NCc2cccc(CN3CCOCC3)c2)C1 ZINC000630769556 367837111 /nfs/dbraw/zinc/83/71/11/367837111.db2.gz LAOAESKWSNMGAC-UHFFFAOYSA-N 0 0 314.429 2.491 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)Cc1cnn2c1CCCC2 ZINC000630852098 367880048 /nfs/dbraw/zinc/88/00/48/367880048.db2.gz MYMRRQHNAKFRGE-UHFFFAOYSA-N 0 0 301.312 2.339 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H](C)c2ccc3c(c2)OCO3)C1=O ZINC000630964708 367939237 /nfs/dbraw/zinc/93/92/37/367939237.db2.gz JZFSTTFVLMHBKA-PWSUYJOCSA-N 0 0 302.330 2.363 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2CCc3cnn(C(C)C)c3C2)C1=O ZINC000630978571 367947712 /nfs/dbraw/zinc/94/77/12/367947712.db2.gz ZBKLMSSLBJVSOB-ZIAGYGMSSA-N 0 0 316.405 2.208 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C2CCC(OC(F)F)CC2)C1=O ZINC000630983683 367949414 /nfs/dbraw/zinc/94/94/14/367949414.db2.gz QQXFCTGGBKLHAL-ILDUYXDCSA-N 0 0 302.321 2.423 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H]2COc3cc(F)ccc3C2)C1=O ZINC000630986270 367951545 /nfs/dbraw/zinc/95/15/45/367951545.db2.gz IIIYHBJDVOPCFK-CHWSQXEVSA-N 0 0 304.321 2.016 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@H](Cc2ccccc2)OC)C1=O ZINC000630986047 367951914 /nfs/dbraw/zinc/95/19/14/367951914.db2.gz YGIIYGWKDHICDF-LSDHHAIUSA-N 0 0 302.374 2.131 10 30 DEEERN C=CCc1cc(C(=O)N2CCC(=O)[C@H](C)C2)cc(OC)c1OC ZINC000275228458 212210030 /nfs/dbraw/zinc/21/00/30/212210030.db2.gz JBTDXSPHWYUDDC-GFCCVEGCSA-N 0 0 317.385 2.483 10 30 DEEERN C=C1CC(C)(C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000631740891 368364172 /nfs/dbraw/zinc/36/41/72/368364172.db2.gz NNTINBOGCOYPKI-UHFFFAOYSA-N 0 0 311.179 2.443 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCC(C)(C)CO ZINC000452431871 244295001 /nfs/dbraw/zinc/29/50/01/244295001.db2.gz CESHOJDWKRKLDL-INIZCTEOSA-N 0 0 318.417 2.486 10 30 DEEERN Cc1c(NCc2cc(C#N)cs2)cccc1S(N)(=O)=O ZINC000093687433 193289911 /nfs/dbraw/zinc/28/99/11/193289911.db2.gz CJZCWPCRHDRWQB-UHFFFAOYSA-N 0 0 307.400 2.188 10 30 DEEERN CC[C@H](NC(=O)c1csc(C#CCO)c1)c1nccs1 ZINC000093975319 193332607 /nfs/dbraw/zinc/33/26/07/193332607.db2.gz RVXREOQCYSYHEP-LBPRGKRZSA-N 0 0 306.412 2.430 10 30 DEEERN O=C(c1csc(C#CCO)c1)N(CC(F)(F)F)C1CC1 ZINC000093974684 193333238 /nfs/dbraw/zinc/33/32/38/193333238.db2.gz BHJXRXASVHHPDF-UHFFFAOYSA-N 0 0 303.305 2.259 10 30 DEEERN Cc1cc(C(=O)N2C[C@H](C)OC[C@H]2C)sc1C#CCCO ZINC000094533971 193377602 /nfs/dbraw/zinc/37/76/02/193377602.db2.gz ZKIAAHUHMVYTCI-OLZOCXBDSA-N 0 0 307.415 2.040 10 30 DEEERN C=CCN(c1nnc(-c2nnn(C)c2C)n1CC(=C)C)C1CC1 ZINC000453460541 245156251 /nfs/dbraw/zinc/15/62/51/245156251.db2.gz NHMIUBVSHGTOMD-UHFFFAOYSA-N 0 0 313.409 2.113 10 30 DEEERN C=CCN(C1CC1)S(=O)(=O)c1ccc(C)cc1C(=O)OC ZINC000271720045 209154659 /nfs/dbraw/zinc/15/46/59/209154659.db2.gz TUHWDCVZKKLGFO-UHFFFAOYSA-N 0 0 309.387 2.121 10 30 DEEERN C=CC(C)(C)CNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000453877396 245337434 /nfs/dbraw/zinc/33/74/34/245337434.db2.gz FSHHAILWIYUWTE-UHFFFAOYSA-N 0 0 321.324 2.429 10 30 DEEERN C=CCNS(=O)(=O)c1cccc(C(=O)NC(C)(CC)CC)c1 ZINC000264867434 204222265 /nfs/dbraw/zinc/22/22/65/204222265.db2.gz GCUAILRRDPWDPC-UHFFFAOYSA-N 0 0 324.446 2.459 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NC[C@H]1CC[C@H](C)O1 ZINC000454110221 245435127 /nfs/dbraw/zinc/43/51/27/245435127.db2.gz FCUDDOGTDJFIMP-DZGCQCFKSA-N 0 0 316.401 2.427 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N1CCC([C@H](C)O)CC1 ZINC000266445593 205352090 /nfs/dbraw/zinc/35/20/90/205352090.db2.gz YXFWZYVEHLIAHJ-LBPRGKRZSA-N 0 0 320.364 2.462 10 30 DEEERN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000135084409 335019622 /nfs/dbraw/zinc/01/96/22/335019622.db2.gz SQVYNNMONOBJJH-SUMWQHHRSA-N 0 0 317.437 2.206 10 30 DEEERN C=C(Cl)CN1C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]1CC ZINC000161298788 197483064 /nfs/dbraw/zinc/48/30/64/197483064.db2.gz QLRARAVYMVLCKQ-UONOGXRCSA-N 0 0 306.793 2.087 10 30 DEEERN Cc1ccc(C(=O)N(C)[C@H]2CCSC2)c(C#CCCO)c1 ZINC000161256128 197479363 /nfs/dbraw/zinc/47/93/63/197479363.db2.gz UGGIXVCSYBHFIE-HNNXBMFYSA-N 0 0 303.427 2.306 10 30 DEEERN C=CCN(CCO)C(=O)c1cc(OC)ccc1Br ZINC000160888905 197447974 /nfs/dbraw/zinc/44/79/74/197447974.db2.gz UUOBTDXQZCTEJP-UHFFFAOYSA-N 0 0 314.179 2.078 10 30 DEEERN C=CCN(CCO)C(=O)c1cc(Br)ccc1F ZINC000160863438 197444846 /nfs/dbraw/zinc/44/48/46/197444846.db2.gz UYXHNQOMJMTWPN-UHFFFAOYSA-N 0 0 302.143 2.209 10 30 DEEERN CCN([C@H](C)COC)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160797561 197439780 /nfs/dbraw/zinc/43/97/80/197439780.db2.gz TVIFWWGWUBEXDR-SNVBAGLBSA-N 0 0 316.810 2.257 10 30 DEEERN C=C(C(=O)OC)[C@@H](O)c1ccc(OC)c(Br)c1 ZINC000019835399 182155005 /nfs/dbraw/zinc/15/50/05/182155005.db2.gz UTEJTAPSYDKHDD-LLVKDONJSA-N 0 0 301.136 2.220 10 30 DEEERN Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2O)cc1C ZINC000020394993 182214130 /nfs/dbraw/zinc/21/41/30/182214130.db2.gz SQHPVXUIUSIASD-MHWRWJLKSA-N 0 0 304.371 2.321 10 30 DEEERN C=CCC[C@H](NC(=O)Cn1ncc2ccccc21)C(=O)OCC ZINC000456620275 247315567 /nfs/dbraw/zinc/31/55/67/247315567.db2.gz CKPGRUZEEGGIRZ-AWEZNQCLSA-N 0 0 315.373 2.050 10 30 DEEERN CC(C)O[C@H]1C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000457879256 248056512 /nfs/dbraw/zinc/05/65/12/248056512.db2.gz XTQKZIROMVQWFO-AHIWAGSCSA-N 0 0 324.421 2.320 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@@H](COC)c1ccc(F)cc1 ZINC000458469244 248324757 /nfs/dbraw/zinc/32/47/57/248324757.db2.gz OJNDNOKASLBEKX-CABCVRRESA-N 0 0 310.369 2.140 10 30 DEEERN C=C(C)COCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000458552769 248370122 /nfs/dbraw/zinc/37/01/22/248370122.db2.gz CQSLMOKHJPHERF-XHSDSOJGSA-N 0 0 310.438 2.304 10 30 DEEERN C=CCCOCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000458585544 248387135 /nfs/dbraw/zinc/38/71/35/248387135.db2.gz ILCSBMNDTYCXCH-BZUAXINKSA-N 0 0 310.438 2.304 10 30 DEEERN C=CCN(Cc1cnnn1CC)Cc1cccc([N+](=O)[O-])c1 ZINC000459321678 248611337 /nfs/dbraw/zinc/61/13/37/248611337.db2.gz GXBBZJZQCGYIPY-UHFFFAOYSA-N 0 0 301.350 2.394 10 30 DEEERN Cc1ccccc1[C@@H](C#N)N1CCN(C(=O)c2cccnc2)CC1 ZINC000041258356 183181333 /nfs/dbraw/zinc/18/13/33/183181333.db2.gz PQUUNXGQKJRXOK-GOSISDBHSA-N 0 0 320.396 2.413 10 30 DEEERN N#C[C@H](c1cccs1)N1CCN(C(=O)c2ccncc2)CC1 ZINC000041257379 183181632 /nfs/dbraw/zinc/18/16/32/183181632.db2.gz PAPSSVMYIZXOPI-CQSZACIVSA-N 0 0 312.398 2.166 10 30 DEEERN C[C@H]1CN(C(=O)c2ccc(C#CCCO)s2)CC(C)(C)O1 ZINC000041684890 183217223 /nfs/dbraw/zinc/21/72/23/183217223.db2.gz FNSISQIQANTVOP-LBPRGKRZSA-N 0 0 307.415 2.122 10 30 DEEERN CC(C)C[C@@H](C)N(C)S(=O)(=O)c1cccc(C#CCO)c1 ZINC000042598164 183289481 /nfs/dbraw/zinc/28/94/81/183289481.db2.gz XDZLFJCFPIZTGA-CQSZACIVSA-N 0 0 309.431 2.086 10 30 DEEERN C#Cc1cccc(NC(=O)NC2CCN(c3ncccn3)CC2)c1 ZINC000043981694 183391386 /nfs/dbraw/zinc/39/13/86/183391386.db2.gz QBIAFNDDNPAXDP-UHFFFAOYSA-N 0 0 321.384 2.248 10 30 DEEERN CCC(CC)CNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000104803510 194043470 /nfs/dbraw/zinc/04/34/70/194043470.db2.gz XWQZRVWRVAGTKR-UHFFFAOYSA-N 0 0 315.421 2.221 10 30 DEEERN Cc1noc([C@@H]2CN(c3ccc(C#N)c(Cl)c3)CCN2C)n1 ZINC000284675471 218128700 /nfs/dbraw/zinc/12/87/00/218128700.db2.gz WVNLZWAGYRZMRQ-AWEZNQCLSA-N 0 0 317.780 2.396 10 30 DEEERN C#CCN(CC1CC1)S(=O)(=O)c1cccc2ncccc21 ZINC000159541727 197361682 /nfs/dbraw/zinc/36/16/82/197361682.db2.gz JJDOBSKNJXVZQR-UHFFFAOYSA-N 0 0 300.383 2.269 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CCc2c(nc(C(C)C)n2C)C1 ZINC000106371680 194202238 /nfs/dbraw/zinc/20/22/38/194202238.db2.gz LBRPXKCWQCGBLZ-UHFFFAOYSA-N 0 0 318.465 2.326 10 30 DEEERN C[C@@H](NC(=O)N1CCO[C@H](C#N)C1)c1nc(C(C)(C)C)cs1 ZINC000106575115 194232404 /nfs/dbraw/zinc/23/24/04/194232404.db2.gz UDUYSXAFFHDBKG-GHMZBOCLSA-N 0 0 322.434 2.436 10 30 DEEERN COc1ccc(OC)c(NC(=O)C2CCN(CCC#N)CC2)c1 ZINC000049750656 183757937 /nfs/dbraw/zinc/75/79/37/183757937.db2.gz GCLKUGNXFGVDSW-UHFFFAOYSA-N 0 0 317.389 2.268 10 30 DEEERN Cc1nc(C(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)ccc1C#N ZINC000273615962 210922690 /nfs/dbraw/zinc/92/26/90/210922690.db2.gz QGSLSXNPWMHTPP-HIFRSBDPSA-N 0 0 301.390 2.131 10 30 DEEERN C#CCN[C@H](C(=O)OCC)c1ccc(F)c(Br)c1 ZINC000051965045 183844053 /nfs/dbraw/zinc/84/40/53/183844053.db2.gz OFHKZYNQVJNPHM-LBPRGKRZSA-N 0 0 314.154 2.415 10 30 DEEERN C=CCCS(=O)(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000268903450 207070596 /nfs/dbraw/zinc/07/05/96/207070596.db2.gz XHJDIHVAXUJTBL-UHFFFAOYSA-N 0 0 320.414 2.307 10 30 DEEERN N#Cc1ccc(S(=O)(=O)NCC[C@@H]2CCCO2)cc1Cl ZINC000058561591 184122105 /nfs/dbraw/zinc/12/21/05/184122105.db2.gz AQJWQOUXBSWING-NSHDSACASA-N 0 0 314.794 2.059 10 30 DEEERN 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DEEERN Cc1ccc(C#CCCO)c(NC(=O)NCC(F)(F)F)c1 ZINC000158099248 197243795 /nfs/dbraw/zinc/24/37/95/197243795.db2.gz RCDBOWJIBOFTGY-UHFFFAOYSA-N 0 0 300.280 2.413 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(F)cc3C#N)[C@@H]2C1 ZINC000158006814 197234766 /nfs/dbraw/zinc/23/47/66/197234766.db2.gz DALJONRXOAZKOF-ZACQAIPSSA-N 0 0 304.365 2.466 10 30 DEEERN C#CC(C)(C)Nc1cnn(CC2CC2)c(=O)c1Br ZINC000157589747 197199673 /nfs/dbraw/zinc/19/96/73/197199673.db2.gz GBUHIWOYOIMZJF-UHFFFAOYSA-N 0 0 310.195 2.240 10 30 DEEERN C#CCn1ncc(N[C@H](C)CC2CC2)c(Br)c1=O ZINC000157562791 197197660 /nfs/dbraw/zinc/19/76/60/197197660.db2.gz ZHSOBBPGYIGMEP-SECBINFHSA-N 0 0 310.195 2.240 10 30 DEEERN N#C[C@@]1([C@H](O)c2cccc(C(F)(F)F)c2)CCS(=O)(=O)C1 ZINC000157645892 197204978 /nfs/dbraw/zinc/20/49/78/197204978.db2.gz KQLCEOKMEBRNAU-NEPJUHHUSA-N 0 0 319.304 2.067 10 30 DEEERN C=CCn1ncc(NCCCSC)c(Br)c1=O ZINC000157548825 197196430 /nfs/dbraw/zinc/19/64/30/197196430.db2.gz HBGRMZUPKYFFQZ-UHFFFAOYSA-N 0 0 318.240 2.357 10 30 DEEERN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H]1CC(C)(C)C ZINC000407955659 533141626 /nfs/dbraw/zinc/14/16/26/533141626.db2.gz RYLGKRHATOEQHL-QWHCGFSZSA-N 0 0 301.456 2.223 10 30 DEEERN CN(Cc1ccc(C#CCO)cc1)C(=O)[C@H]1CCCCS1 ZINC000156270393 197100421 /nfs/dbraw/zinc/10/04/21/197100421.db2.gz UUNVVZNLQSXNSR-MRXNPFEDSA-N 0 0 303.427 2.275 10 30 DEEERN O=C(NCc1ccc(C#CCCO)cc1)[C@@H]1CCCCS1 ZINC000156272588 197099941 /nfs/dbraw/zinc/09/99/41/197099941.db2.gz SGDUFGCODYJHOD-INIZCTEOSA-N 0 0 303.427 2.322 10 30 DEEERN CCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000542536042 285232376 /nfs/dbraw/zinc/23/23/76/285232376.db2.gz LUKCJVZQJUYPGG-CYBMUJFWSA-N 0 0 319.792 2.342 10 30 DEEERN N#CCOc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000120391714 195157102 /nfs/dbraw/zinc/15/71/02/195157102.db2.gz IZEIIRBSKVWPFU-NVXWUHKLSA-N 0 0 314.385 2.159 10 30 DEEERN C#C[C@]1(O)CC[C@@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000256456129 257103708 /nfs/dbraw/zinc/10/37/08/257103708.db2.gz 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/nfs/dbraw/zinc/61/51/38/533615138.db2.gz MYZGCFPSXBIZCO-CKYFFXLPSA-N 0 0 303.337 2.452 10 30 DEEERN Cc1[nH]c2ccccc2c1CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000370968634 533628747 /nfs/dbraw/zinc/62/87/47/533628747.db2.gz MRZVNMDEZNTRPR-HNNXBMFYSA-N 0 0 322.412 2.218 10 30 DEEERN CC[C@@H](C)[C@H](C)NC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000194463612 132538952 /nfs/dbraw/zinc/53/89/52/132538952.db2.gz MKYWKLUFUQIYDL-KGLIPLIRSA-N 0 0 315.421 2.219 10 30 DEEERN C[C@H]1CC(CNS(=O)(=O)c2ccc(C#N)s2)C[C@H](C)O1 ZINC000355510527 133030464 /nfs/dbraw/zinc/03/04/64/133030464.db2.gz KEUINEAUYZYWOO-UWVGGRQHSA-N 0 0 314.432 2.102 10 30 DEEERN N#Cc1ccnc(NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)c1 ZINC000376394066 133293030 /nfs/dbraw/zinc/29/30/30/133293030.db2.gz HDMQBHRSGFIXAA-JTQLQIEISA-N 0 0 322.294 2.282 10 30 DEEERN N#Cc1ccccc1Cn1cccc1CN1C[C@@H](F)C[C@H]1CO ZINC000372641220 133361182 /nfs/dbraw/zinc/36/11/82/133361182.db2.gz SPMPNQPAZYCJMG-WMZOPIPTSA-N 0 0 313.376 2.313 10 30 DEEERN CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2ccncc2C#N)C1 ZINC000547825116 285645866 /nfs/dbraw/zinc/64/58/66/285645866.db2.gz AGYCUDRDSMBEPC-UONOGXRCSA-N 0 0 300.406 2.474 10 30 DEEERN C[C@@H](C(=O)Nc1nc2c(cc1C#N)CCCC2)c1cnn(C)c1 ZINC000548192287 285702124 /nfs/dbraw/zinc/70/21/24/285702124.db2.gz BFCZBPVQICEVNJ-LLVKDONJSA-N 0 0 309.373 2.308 10 30 DEEERN C=CCCCNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000350839611 404480426 /nfs/dbraw/zinc/48/04/26/404480426.db2.gz ZSABRBXGYNNGJQ-HOCLYGCPSA-N 0 0 315.417 2.441 10 30 DEEERN Cc1ccc2c(n1)OCCN2C(=O)COc1ccccc1C#N ZINC000180481476 144890579 /nfs/dbraw/zinc/89/05/79/144890579.db2.gz FPOWVSIHYQIVMN-UHFFFAOYSA-N 0 0 309.325 2.066 10 30 DEEERN N#Cc1ccc(C2(C(=O)N3CCC(n4cncn4)CC3)CC2)cc1 ZINC000189208012 145024104 /nfs/dbraw/zinc/02/41/04/145024104.db2.gz DFNLDGIUZFRMDA-UHFFFAOYSA-N 0 0 321.384 2.045 10 30 DEEERN Cc1nnc([C@@H](NCc2cc(C#N)n(C)c2)c2ccccc2)[nH]1 ZINC000190942236 145050606 /nfs/dbraw/zinc/05/06/06/145050606.db2.gz XTDWZYQCHIYZNW-INIZCTEOSA-N 0 0 306.373 2.203 10 30 DEEERN CC(C)NC(=O)c1ccc(NC(=O)c2ccnc(C#N)c2)cc1 ZINC000192801654 145079438 /nfs/dbraw/zinc/07/94/38/145079438.db2.gz UUSJVKRJMLEGAI-UHFFFAOYSA-N 0 0 308.341 2.344 10 30 DEEERN N#Cc1cc(C(=O)Nc2cccc(CN3CCOCC3)c2)ccn1 ZINC000192887948 145080166 /nfs/dbraw/zinc/08/01/66/145080166.db2.gz LLELXILKHOFSKG-UHFFFAOYSA-N 0 0 322.368 2.038 10 30 DEEERN COC(=O)CC[C@@H](NC(=O)c1ccnc(C#N)c1)c1ccccc1 ZINC000193175926 145083481 /nfs/dbraw/zinc/08/34/81/145083481.db2.gz UWEKFBZQUQYCBB-MRXNPFEDSA-N 0 0 323.352 2.378 10 30 DEEERN CN(Cc1nc2ccccc2n1C)C(=O)c1ccnc(C#N)c1 ZINC000193230995 145083684 /nfs/dbraw/zinc/08/36/84/145083684.db2.gz MJGIUQBAPGMNAC-UHFFFAOYSA-N 0 0 305.341 2.112 10 30 DEEERN COC[C@H](NC(=O)c1ccnc(C#N)c1)c1ccc(F)c(F)c1 ZINC000193750395 145089294 /nfs/dbraw/zinc/08/92/94/145089294.db2.gz DEPVGYCLDQYRLS-HNNXBMFYSA-N 0 0 317.295 2.349 10 30 DEEERN Cc1nn(-c2ccccc2)cc1CNC(=O)c1ccnc(C#N)c1 ZINC000193787543 145090233 /nfs/dbraw/zinc/09/02/33/145090233.db2.gz 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N#Cc1ccccc1OCC(=O)N1CCC(=O)Nc2ccccc21 ZINC000118619552 401902188 /nfs/dbraw/zinc/90/21/88/401902188.db2.gz HNUBBMDJGYTAIN-UHFFFAOYSA-N 0 0 321.336 2.312 10 30 DEEERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000118793927 401907689 /nfs/dbraw/zinc/90/76/89/401907689.db2.gz DHAAFMRMZXUBHX-CYBMUJFWSA-N 0 0 320.780 2.296 10 30 DEEERN N#Cc1ccccc1-c1ccc(CNC(=O)NCCCO)cc1 ZINC000091247781 401995660 /nfs/dbraw/zinc/99/56/60/401995660.db2.gz IFJUQFNIRLYFFP-UHFFFAOYSA-N 0 0 309.369 2.407 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@@H]([S@](=O)c2ncccc2C#N)C1 ZINC000095083396 402024474 /nfs/dbraw/zinc/02/44/74/402024474.db2.gz AILLNDHSVSZWQJ-VERVWZFWSA-N 0 0 321.402 2.070 10 30 DEEERN C#CCSCCNC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000121437531 402036080 /nfs/dbraw/zinc/03/60/80/402036080.db2.gz HDNCCHYSWGSLHZ-GFCCVEGCSA-N 0 0 309.460 2.399 10 30 DEEERN C=CCCCCCN(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000151678968 402050221 /nfs/dbraw/zinc/05/02/21/402050221.db2.gz XMZJIXHEIMHYBR-OKILXGFUSA-N 0 0 304.456 2.019 10 30 DEEERN CCN(C[C@H](C)C#N)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000048960507 402010172 /nfs/dbraw/zinc/01/01/72/402010172.db2.gz ZIYGVYVRLRSKKY-SNVBAGLBSA-N 0 0 311.794 2.382 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000122447710 402079090 /nfs/dbraw/zinc/07/90/90/402079090.db2.gz WCTQGHJPYKUHEU-UHFFFAOYSA-N 0 0 322.430 2.400 10 30 DEEERN C[C@H]1CN(C(=O)CSCC#N)C[C@H](c2ccc(F)cc2)O1 ZINC000152266852 402085824 /nfs/dbraw/zinc/08/58/24/402085824.db2.gz UUDFGSJGHIXNHP-SMDDNHRTSA-N 0 0 308.378 2.371 10 30 DEEERN CSCCC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000060520187 402105829 /nfs/dbraw/zinc/10/58/29/402105829.db2.gz IDBZBBSPTLIAKV-UHFFFAOYSA-N 0 0 303.431 2.350 10 30 DEEERN CCOc1ncccc1CNCc1cnc2ccc(C#N)cn12 ZINC000123268679 402118797 /nfs/dbraw/zinc/11/87/97/402118797.db2.gz JPPJKWKKJRIERO-UHFFFAOYSA-N 0 0 307.357 2.289 10 30 DEEERN CC(C)[C@H](C)NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000067041113 402150638 /nfs/dbraw/zinc/15/06/38/402150638.db2.gz DTDIDACECSEWSJ-ZDUSSCGKSA-N 0 0 315.421 2.266 10 30 DEEERN C#Cc1cccc(N(C)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000103146259 402179773 /nfs/dbraw/zinc/17/97/73/402179773.db2.gz OHOYMPWIWKQLFA-ZWKOTPCHSA-N 0 0 312.413 2.274 10 30 DEEERN COc1ccc(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1C#N ZINC000124918625 402203711 /nfs/dbraw/zinc/20/37/11/402203711.db2.gz CVJQSENUKWHCPN-UHFFFAOYSA-N 0 0 321.336 2.405 10 30 DEEERN N#Cc1nccn1Cc1cn2cc(Br)ccc2n1 ZINC000124047306 402160902 /nfs/dbraw/zinc/16/09/02/402160902.db2.gz MKQIHWANSAGZCN-UHFFFAOYSA-N 0 0 302.135 2.213 10 30 DEEERN N#C[C@@H]1CN(C(=O)NC2CCC(C(F)(F)F)CC2)CCO1 ZINC000106330217 402213361 /nfs/dbraw/zinc/21/33/61/402213361.db2.gz QADBBUBQGLIVSB-VQXHTEKXSA-N 0 0 305.300 2.041 10 30 DEEERN C=CCN(C(=O)[C@@H]1CCCO1)c1nc(C(=O)OCC)cs1 ZINC000154741976 402229114 /nfs/dbraw/zinc/22/91/14/402229114.db2.gz GFFLAQLDUISTEL-NSHDSACASA-N 0 0 310.375 2.018 10 30 DEEERN CCN(C[C@H](C)C#N)C(=O)CN1CCO[C@H](c2ccsc2)C1 ZINC000125498817 402236184 /nfs/dbraw/zinc/23/61/84/402236184.db2.gz DOHFRSSZUWBNSH-HIFRSBDPSA-N 0 0 321.446 2.130 10 30 DEEERN N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CNC(=O)C3)cc2)c1 ZINC000108978118 402265578 /nfs/dbraw/zinc/26/55/78/402265578.db2.gz UGCYPZJVEVXSQQ-ZDUSSCGKSA-N 0 0 321.336 2.425 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N(C)C)cn1 ZINC000068803163 402206161 /nfs/dbraw/zinc/20/61/61/402206161.db2.gz FRYVRCWKNPIHMH-GFCCVEGCSA-N 0 0 310.357 2.425 10 30 DEEERN CN(Cc1ccc(Cl)nc1)S(=O)(=O)CCCCC#N ZINC000109337724 402271428 /nfs/dbraw/zinc/27/14/28/402271428.db2.gz ORJKRJKIVRQMPN-UHFFFAOYSA-N 0 0 301.799 2.190 10 30 DEEERN C[C@H]1CC[C@@H](C(N)=O)CN1c1ccc(C#N)cc1Br ZINC000213309842 402279744 /nfs/dbraw/zinc/27/97/44/402279744.db2.gz KTRHPYWWVNKFOJ-GXSJLCMTSA-N 0 0 322.206 2.411 10 30 DEEERN C#CCC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000184784604 402299588 /nfs/dbraw/zinc/29/95/88/402299588.db2.gz LIQUOEGDEGYNHY-DZGCQCFKSA-N 0 0 302.418 2.038 10 30 DEEERN COc1ccccc1N1CC[C@@H](NC(=O)NCCCCC#N)C1 ZINC000176542265 402318475 /nfs/dbraw/zinc/31/84/75/402318475.db2.gz PUCZVMRVNNBUKU-CQSZACIVSA-N 0 0 316.405 2.267 10 30 DEEERN N#Cc1ccc(F)cc1CN1CCCC[C@H]1CN1CCOCC1 ZINC000160351312 402342338 /nfs/dbraw/zinc/34/23/38/402342338.db2.gz YCEWLPRGMPQLHE-SFHVURJKSA-N 0 0 317.408 2.384 10 30 DEEERN C#CCCCCNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000160678669 402356880 /nfs/dbraw/zinc/35/68/80/402356880.db2.gz PVVSDFPTPYNCAU-UHFFFAOYSA-N 0 0 300.406 2.153 10 30 DEEERN Cc1noc([C@H]2COCCN2CC#Cc2ccc(Cl)cc2)n1 ZINC000160933207 402366095 /nfs/dbraw/zinc/36/60/95/402366095.db2.gz IBIOEYRMPFWGLD-OAHLLOKOSA-N 0 0 317.776 2.456 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCOCC2(CCOCC2)C1 ZINC000185153268 402328944 /nfs/dbraw/zinc/32/89/44/402328944.db2.gz ABBGHEGTICYOTO-UHFFFAOYSA-N 0 0 314.385 2.136 10 30 DEEERN N#C[C@H](NC(=O)[C@H](c1ccccc1)N1CCCCC1=O)C1CC1 ZINC000161831353 402400831 /nfs/dbraw/zinc/40/08/31/402400831.db2.gz OHPAZNHMFXUCHH-RDJZCZTQSA-N 0 0 311.385 2.159 10 30 DEEERN COCC1=CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 ZINC000186236364 402413819 /nfs/dbraw/zinc/41/38/19/402413819.db2.gz IHPBCGHMMXTYFD-CYBMUJFWSA-N 0 0 300.358 2.131 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](Cc1ccccc1OC)C(C)C ZINC000186382219 402426913 /nfs/dbraw/zinc/42/69/13/402426913.db2.gz VTRLITMZMVIVKX-JKSUJKDBSA-N 0 0 320.433 2.499 10 30 DEEERN CC[C@@H](CC#N)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000186435067 402430849 /nfs/dbraw/zinc/43/08/49/402430849.db2.gz RMCCZZUDVQGSDJ-QMMMGPOBSA-N 0 0 307.297 2.071 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177738153 402431394 /nfs/dbraw/zinc/43/13/94/402431394.db2.gz CYAYNRJCTBCOEF-GOEBONIOSA-N 0 0 324.384 2.213 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCc1cccc(-c2ccccn2)c1 ZINC000186569829 402442996 /nfs/dbraw/zinc/44/29/96/402442996.db2.gz XJVIGSUOPNIHLE-INIZCTEOSA-N 0 0 311.385 2.485 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000186597985 402446343 /nfs/dbraw/zinc/44/63/43/402446343.db2.gz RVWYTMUIVIBBNH-UHFFFAOYSA-N 0 0 320.352 2.147 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000186609447 402447277 /nfs/dbraw/zinc/44/72/77/402447277.db2.gz JFAALOAQRHGISB-ZDUSSCGKSA-N 0 0 300.362 2.239 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1csc(-c2ccc(OC)cc2)n1 ZINC000185930415 402390285 /nfs/dbraw/zinc/39/02/85/402390285.db2.gz KEJSRBSWMYPRJK-GFCCVEGCSA-N 0 0 318.398 2.486 10 30 DEEERN CO[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[C@@H]1C ZINC000187759852 402510895 /nfs/dbraw/zinc/51/08/95/402510895.db2.gz GCNUVZDHNURLJW-BBRMVZONSA-N 0 0 302.374 2.015 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000163714139 402455759 /nfs/dbraw/zinc/45/57/59/402455759.db2.gz WBXAPIVUDDZLCO-UHFFFAOYSA-N 0 0 316.386 2.462 10 30 DEEERN C=CC[C@@H](CO)[NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000186713342 402458612 /nfs/dbraw/zinc/45/86/12/402458612.db2.gz RQAYLQOGJQNAOK-FZMZJTMJSA-N 0 0 304.369 2.302 10 30 DEEERN CC(C)(C)n1cc(C#N)c(NC(=O)c2ncncc2Cl)n1 ZINC000178303678 402482786 /nfs/dbraw/zinc/48/27/86/402482786.db2.gz XLJWSOIFBZHKSZ-UHFFFAOYSA-N 0 0 304.741 2.205 10 30 DEEERN Cc1ccc2c(c1)[C@H](NS(=O)(=O)CC1(C#N)CC1)[C@H](C)C2 ZINC000166376787 402484504 /nfs/dbraw/zinc/48/45/04/402484504.db2.gz OPYGYBVWXHSNAA-IUODEOHRSA-N 0 0 304.415 2.452 10 30 DEEERN COc1ccc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)cn1 ZINC000187449614 402501413 /nfs/dbraw/zinc/50/14/13/402501413.db2.gz XZGUTFAIVYKWIN-UHFFFAOYSA-N 0 0 307.353 2.310 10 30 DEEERN COC(=O)[C@]1(C)CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000187641157 402506892 /nfs/dbraw/zinc/50/68/92/402506892.db2.gz BHICDNSUAYSBMK-KRWDZBQOSA-N 0 0 312.369 2.409 10 30 DEEERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cccc(C#N)c1C)CC2 ZINC000178535893 402509217 /nfs/dbraw/zinc/50/92/17/402509217.db2.gz LXVBISSQXBSVFL-CYBMUJFWSA-N 0 0 324.388 2.157 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000246722172 402542042 /nfs/dbraw/zinc/54/20/42/402542042.db2.gz LMRSXJNOJRKXLK-XBFCOCLRSA-N 0 0 300.358 2.322 10 30 DEEERN CNC(=O)[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)C(C)C ZINC000178842203 402546190 /nfs/dbraw/zinc/54/61/90/402546190.db2.gz CXSGWGHJJKYHJH-JTQLQIEISA-N 0 0 300.284 2.155 10 30 DEEERN O=C1CN(CC#Cc2ccc(Cl)cc2)[C@@H]2CCCC[C@H]2N1 ZINC000246565785 402537275 /nfs/dbraw/zinc/53/72/75/402537275.db2.gz KWXLBASYSDPPEO-HZPDHXFCSA-N 0 0 302.805 2.435 10 30 DEEERN C[C@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)N1CCSCC1 ZINC000179172119 402578227 /nfs/dbraw/zinc/57/82/27/402578227.db2.gz UXYPKGKPACWEKY-RISCZKNCSA-N 0 0 323.849 2.458 10 30 DEEERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(C#N)s2)C1 ZINC000190150046 402579675 /nfs/dbraw/zinc/57/96/75/402579675.db2.gz XKLAFSPKJIJJSQ-GXFFZTMASA-N 0 0 304.375 2.273 10 30 DEEERN C=CCSCCNC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171359422 402580954 /nfs/dbraw/zinc/58/09/54/402580954.db2.gz ZPKZFONVHKCUPL-ZDUSSCGKSA-N 0 0 324.450 2.261 10 30 DEEERN C#CCCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000179344811 402586425 /nfs/dbraw/zinc/58/64/25/402586425.db2.gz DGEKAKATADNFAT-HOTGVXAUSA-N 0 0 321.371 2.423 10 30 DEEERN CC(C)Cn1cc(C(=O)NCCOc2ccc(C#N)cc2)cn1 ZINC000181088390 402635205 /nfs/dbraw/zinc/63/52/05/402635205.db2.gz STHNVLVVDCAOPE-UHFFFAOYSA-N 0 0 312.373 2.220 10 30 DEEERN C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1cccc(C#N)c1 ZINC000181504703 402647841 /nfs/dbraw/zinc/64/78/41/402647841.db2.gz YUCVPOQGMGAMOB-CYBMUJFWSA-N 0 0 304.357 2.385 10 30 DEEERN N#CC1(c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C(N)=O)cc2)CC1 ZINC000181767951 402656595 /nfs/dbraw/zinc/65/65/95/402656595.db2.gz OFFZKFGSRKWHGZ-LSDHHAIUSA-N 0 0 311.385 2.016 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1nnc2n1CCCC2 ZINC000173623918 402705360 /nfs/dbraw/zinc/70/53/60/402705360.db2.gz PKDWAMUUVQEGCV-KGLIPLIRSA-N 0 0 319.453 2.078 10 30 DEEERN C[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CCS1 ZINC000173796862 402712934 /nfs/dbraw/zinc/71/29/34/402712934.db2.gz RRQOGFFLDPZYNK-LBPRGKRZSA-N 0 0 305.403 2.084 10 30 DEEERN CC(C)(C)C[C@H](O)CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000173798458 402713048 /nfs/dbraw/zinc/71/30/48/402713048.db2.gz CONHDAQVIXOHAI-AWEZNQCLSA-N 0 0 319.405 2.033 10 30 DEEERN N#CCCn1ccc(NC(=O)N[C@H]2CCOc3ccccc32)n1 ZINC000173332725 402692827 /nfs/dbraw/zinc/69/28/27/402692827.db2.gz GAUWCOLXODXJGE-ZDUSSCGKSA-N 0 0 311.345 2.442 10 30 DEEERN CNC(=O)c1ccc(C[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000174558672 402746973 /nfs/dbraw/zinc/74/69/73/402746973.db2.gz OWLUESFARFUFRT-UHFFFAOYSA-N 0 0 309.369 2.086 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000183303060 402754633 /nfs/dbraw/zinc/75/46/33/402754633.db2.gz ZUSYUQDLOFTKCD-CQSZACIVSA-N 0 0 303.362 2.404 10 30 DEEERN N#Cc1cc(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)ccn1 ZINC000192897499 402755952 /nfs/dbraw/zinc/75/59/52/402755952.db2.gz KSCBTXVMJDLOLJ-ZDUSSCGKSA-N 0 0 324.359 2.349 10 30 DEEERN C#CCSCCNC(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000174960375 402766763 /nfs/dbraw/zinc/76/67/63/402766763.db2.gz VCESPIZJZCIVGE-UHFFFAOYSA-N 0 0 305.403 2.157 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000183466493 402769974 /nfs/dbraw/zinc/76/99/74/402769974.db2.gz RZSUDFCIMPMDRO-GWCFXTLKSA-N 0 0 310.781 2.400 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000194233650 402788976 /nfs/dbraw/zinc/78/89/76/402788976.db2.gz IXEGLRXWZWVICV-UHFFFAOYSA-N 0 0 303.240 2.489 10 30 DEEERN CC[C@@H](C)[C@@H](C)NC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000194463583 402798754 /nfs/dbraw/zinc/79/87/54/402798754.db2.gz MKYWKLUFUQIYDL-ZIAGYGMSSA-N 0 0 315.421 2.219 10 30 DEEERN CC[C@@H](CC#N)NC(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000183872781 402802896 /nfs/dbraw/zinc/80/28/96/402802896.db2.gz SGFJNFBBCVLSEF-INIZCTEOSA-N 0 0 313.401 2.347 10 30 DEEERN N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CNC(=O)C3)cc2)cc1 ZINC000194830183 402817626 /nfs/dbraw/zinc/81/76/26/402817626.db2.gz ZIMMJSSBXUFXRU-CYBMUJFWSA-N 0 0 321.336 2.425 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000184262289 402831403 /nfs/dbraw/zinc/83/14/03/402831403.db2.gz LRGTZMOCCFIOKR-UONOGXRCSA-N 0 0 317.437 2.206 10 30 DEEERN C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)C1CCCC1 ZINC000175985772 402846467 /nfs/dbraw/zinc/84/64/67/402846467.db2.gz GMXDATCZKGQGSB-SNVBAGLBSA-N 0 0 303.337 2.331 10 30 DEEERN C=CCSCCNC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000176026521 402848523 /nfs/dbraw/zinc/84/85/23/402848523.db2.gz QSYMBXIRDZXOCW-CQSZACIVSA-N 0 0 308.451 2.285 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCN(c2nc(C)c(C)s2)CC1 ZINC000278397291 402863393 /nfs/dbraw/zinc/86/33/93/402863393.db2.gz OHKXRCZWSZHWNE-UHFFFAOYSA-N 0 0 315.442 2.071 10 30 DEEERN Cc1c(Cl)cccc1S(=O)(=O)N1CCSC[C@@H]1C#N ZINC000271603267 402881643 /nfs/dbraw/zinc/88/16/43/402881643.db2.gz BACPHDLUUOOSLT-JTQLQIEISA-N 0 0 316.835 2.278 10 30 DEEERN C=CC[C@H](CO)Nc1nc(C)nc2sc(C(=O)OC)c(C)c21 ZINC000273378499 402999203 /nfs/dbraw/zinc/99/92/03/402999203.db2.gz YLMZHYDWCHQNPK-SNVBAGLBSA-N 0 0 321.402 2.444 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000273630507 403021374 /nfs/dbraw/zinc/02/13/74/403021374.db2.gz SIUZYEWINYNCSE-CYBMUJFWSA-N 0 0 305.353 2.086 10 30 DEEERN Cc1nc(C2(NC(=O)c3ccnc(C#N)c3)CCCCC2)no1 ZINC000280678903 403026343 /nfs/dbraw/zinc/02/63/43/403026343.db2.gz UTIAMKJFLPZSPZ-UHFFFAOYSA-N 0 0 311.345 2.234 10 30 DEEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000281319140 403064086 /nfs/dbraw/zinc/06/40/86/403064086.db2.gz AVUQEBVMUWWVSW-YPMHNXCESA-N 0 0 304.394 2.264 10 30 DEEERN C=CC[C@H](CC)NS(=O)(=O)c1ccc(C)cc1C(=O)OC ZINC000281611751 403074538 /nfs/dbraw/zinc/07/45/38/403074538.db2.gz SRWNBIZJVRPCRX-LBPRGKRZSA-N 0 0 311.403 2.415 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000282166558 403128764 /nfs/dbraw/zinc/12/87/64/403128764.db2.gz RCZUAMCIUUQGHW-GDBMZVCRSA-N 0 0 300.358 2.343 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000283595300 403208749 /nfs/dbraw/zinc/20/87/49/403208749.db2.gz LMTJBSJHSDOQHL-CQSZACIVSA-N 0 0 319.453 2.294 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000277446818 403218799 /nfs/dbraw/zinc/21/87/99/403218799.db2.gz NYNANBXRSVSOKA-KRWDZBQOSA-N 0 0 324.380 2.405 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCCS(=O)(=O)CCc1ccccc1 ZINC000283307380 403188152 /nfs/dbraw/zinc/18/81/52/403188152.db2.gz NRTXHAZVRIFTHZ-OAHLLOKOSA-N 0 0 323.458 2.362 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)[C@@H](C)CCSCC ZINC000297978847 403297834 /nfs/dbraw/zinc/29/78/34/403297834.db2.gz WODYXSGAIFCGKZ-ZDUSSCGKSA-N 0 0 300.468 2.401 10 30 DEEERN C#CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000285049872 403277286 /nfs/dbraw/zinc/27/72/86/403277286.db2.gz IUUFJDDIFAXRDW-CABCVRRESA-N 0 0 324.346 2.374 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NS(=O)(=O)CCC(F)(F)F ZINC000285275208 403280403 /nfs/dbraw/zinc/28/04/03/403280403.db2.gz IYKIRXQITCGFQV-CYBMUJFWSA-N 0 0 319.348 2.493 10 30 DEEERN CN1CCN(Cc2ccccc2C#N)C[C@H]1c1nc(C2CC2)no1 ZINC000285664566 403352281 /nfs/dbraw/zinc/35/22/81/403352281.db2.gz YQFYRJAETWJYJB-INIZCTEOSA-N 0 0 323.400 2.307 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@]1(CC)OCCc2ccccc21 ZINC000292168271 403311402 /nfs/dbraw/zinc/31/14/02/403311402.db2.gz ZVNQPYZTBLNRKF-QAPCUYQASA-N 0 0 318.417 2.101 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Cc1c(C)nn(C)c1C ZINC000285718799 403364525 /nfs/dbraw/zinc/36/45/25/403364525.db2.gz IHXHCSYXBCLMRQ-KRWDZBQOSA-N 0 0 309.413 2.330 10 30 DEEERN C=CCCCS(=O)(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000293109743 403389752 /nfs/dbraw/zinc/38/97/52/403389752.db2.gz UWCGORYMLKHNHW-CYBMUJFWSA-N 0 0 320.418 2.214 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC000285886976 403403098 /nfs/dbraw/zinc/40/30/98/403403098.db2.gz RDEMBNSWPILXKF-FUHWJXTLSA-N 0 0 321.424 2.276 10 30 DEEERN C=CCOc1ccc(CNC(=O)NCC[C@H](C)[S@](C)=O)cc1 ZINC000345611862 403404981 /nfs/dbraw/zinc/40/49/81/403404981.db2.gz YROROJZCLADOPO-XMHCIUCPSA-N 0 0 324.446 2.208 10 30 DEEERN C=CCOCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000343299720 403531180 /nfs/dbraw/zinc/53/11/80/403531180.db2.gz MRYFWRQZIBWPOT-GDBMZVCRSA-N 0 0 310.344 2.029 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCCn1cccn1 ZINC000286742521 403545306 /nfs/dbraw/zinc/54/53/06/403545306.db2.gz UIBHNUDRYRKHLK-KRWDZBQOSA-N 0 0 310.401 2.207 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cccnc1OCCC ZINC000345958443 403549057 /nfs/dbraw/zinc/54/90/57/403549057.db2.gz PGFBSUZFUKVVJP-GJZGRUSLSA-N 0 0 304.390 2.468 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000345829032 403501313 /nfs/dbraw/zinc/50/13/13/403501313.db2.gz LWDOAFYGAGZZPP-RDJZCZTQSA-N 0 0 319.401 2.344 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCCC(=O)NCC ZINC000287430072 403597695 /nfs/dbraw/zinc/59/76/95/403597695.db2.gz UOONRDPQURZYOH-MRXNPFEDSA-N 0 0 300.402 2.044 10 30 DEEERN N#Cc1cnc2ccccc2c1NC[C@@H]1CN(C2CC2)CCO1 ZINC000301411199 403624719 /nfs/dbraw/zinc/62/47/19/403624719.db2.gz YGLQMIOPBJHRLT-OAHLLOKOSA-N 0 0 308.385 2.382 10 30 DEEERN Cc1cc(N2CCC(N(C)c3cccc(C#N)n3)CC2)nc(C)n1 ZINC000301812363 403683994 /nfs/dbraw/zinc/68/39/94/403683994.db2.gz BVWNAXQQHFCCAR-UHFFFAOYSA-N 0 0 322.416 2.465 10 30 DEEERN N#Cc1cc2c(nc1NC[C@@]1(CCO)CCOC1)CCCC2 ZINC000301931368 403702984 /nfs/dbraw/zinc/70/29/84/403702984.db2.gz OQRIGCALWYIMML-QGZVFWFLSA-N 0 0 301.390 2.033 10 30 DEEERN CC[C@H]1CN(c2cc(C(C)=O)ccc2C#N)CCN1C[C@@H](C)O ZINC000302038470 403705928 /nfs/dbraw/zinc/70/59/28/403705928.db2.gz QIWXGUHDASTDPU-DYVFJYSZSA-N 0 0 315.417 2.042 10 30 DEEERN CC[C@@H]1CN(c2cc(C(C)=O)ccc2C#N)CCN1C[C@H](C)O ZINC000302038472 403706402 /nfs/dbraw/zinc/70/64/02/403706402.db2.gz QIWXGUHDASTDPU-SUMWQHHRSA-N 0 0 315.417 2.042 10 30 DEEERN C#Cc1cccc(N(CC)S(=O)(=O)[C@@H]2CCO[C@H](C)C2)c1 ZINC000294350164 403711412 /nfs/dbraw/zinc/71/14/12/403711412.db2.gz ZFJLPTJOPAKTLS-CZUORRHYSA-N 0 0 307.415 2.392 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC[C@H](C)CO ZINC000288124913 403729792 /nfs/dbraw/zinc/72/97/92/403729792.db2.gz YQSJJLXRCDMJAQ-RDJZCZTQSA-N 0 0 302.418 2.329 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@](C)(CC)CCO ZINC000288154091 403735673 /nfs/dbraw/zinc/73/56/73/403735673.db2.gz MJPOTYIORHVEOM-AEFFLSMTSA-N 0 0 302.418 2.471 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCOC[C@@H]2CC(F)F)s1 ZINC000288248808 403742693 /nfs/dbraw/zinc/74/26/93/403742693.db2.gz GMNJWNRQVMYADX-VIFPVBQESA-N 0 0 317.361 2.237 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1nnc(C2CC2)o1 ZINC000288259871 403744452 /nfs/dbraw/zinc/74/44/52/403744452.db2.gz UBEPMUZACRHNJS-HNNXBMFYSA-N 0 0 324.384 2.381 10 30 DEEERN C#CCC(CC#C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000288347392 403746653 /nfs/dbraw/zinc/74/66/53/403746653.db2.gz GSGKLNWBLOOICE-UHFFFAOYSA-N 0 0 309.413 2.077 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCCCCCO ZINC000288807023 403773040 /nfs/dbraw/zinc/77/30/40/403773040.db2.gz UDRGISIHQQYLNF-QGZVFWFLSA-N 0 0 302.418 2.473 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCOC[C@H]1C ZINC000288825037 403776353 /nfs/dbraw/zinc/77/63/53/403776353.db2.gz VIFPCDGWOFJGBU-OIISXLGYSA-N 0 0 300.402 2.345 10 30 DEEERN C=CCN1CC[C@H](Sc2nc(C(F)(F)F)cc(=O)[nH]2)C1=O ZINC000347779565 403864516 /nfs/dbraw/zinc/86/45/16/403864516.db2.gz PLKNTKITYZFXRH-ZETCQYMHSA-N 0 0 319.308 2.080 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000344046036 403871627 /nfs/dbraw/zinc/87/16/27/403871627.db2.gz JVXNVFKAHSSELT-NSHDSACASA-N 0 0 301.346 2.474 10 30 DEEERN C=CCn1c(-c2ccccc2OC)nnc1N1CCOC[C@H]1C ZINC000289310131 403906913 /nfs/dbraw/zinc/90/69/13/403906913.db2.gz ALHAFWMBLVRSNX-CYBMUJFWSA-N 0 0 314.389 2.365 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000361904783 403910231 /nfs/dbraw/zinc/91/02/31/403910231.db2.gz FQRJLXQPJZQNBJ-GFCCVEGCSA-N 0 0 306.410 2.343 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000341430089 403966117 /nfs/dbraw/zinc/96/61/17/403966117.db2.gz ILYLMSDNWHBLMD-HZPDHXFCSA-N 0 0 309.454 2.237 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@@](C)(C(=O)OC)c1ccc(F)cc1 ZINC000362232335 403937720 /nfs/dbraw/zinc/93/77/20/403937720.db2.gz HKGIIBQMNKAECL-YVEFUNNKSA-N 0 0 323.364 2.311 10 30 DEEERN C=C(C)COCCNC(=O)c1ccnc(N2CC[C@@H](C)C2)c1 ZINC000354903608 404092364 /nfs/dbraw/zinc/09/23/64/404092364.db2.gz YIMSAOHJEOJRCS-CQSZACIVSA-N 0 0 303.406 2.250 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)c3ncccc3C)C2)n1 ZINC000328612365 404114036 /nfs/dbraw/zinc/11/40/36/404114036.db2.gz OMOIMNWHUALFJT-ZDUSSCGKSA-N 0 0 313.361 2.282 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC([C@@H](C)O)CC1)CCC2 ZINC000328651907 404124466 /nfs/dbraw/zinc/12/44/66/404124466.db2.gz KCQCDTHOSWTGSJ-HIFRSBDPSA-N 0 0 320.437 2.076 10 30 DEEERN CC(=O)N(C[C@H]1CCCN1C(=O)Nc1cc(C)ccn1)C1CC1 ZINC000328638152 404122297 /nfs/dbraw/zinc/12/22/97/404122297.db2.gz OYUBEGPIWLARIN-OAHLLOKOSA-N 0 0 316.405 2.411 10 30 DEEERN O=C(NCc1ccc(C2CC2)cc1)N1CCN(C2CC2)C(=O)C1 ZINC000328676816 404128331 /nfs/dbraw/zinc/12/83/31/404128331.db2.gz RWWBVPJFIAUWRH-UHFFFAOYSA-N 0 0 313.401 2.285 10 30 DEEERN CC(=O)NC[C@@H]1CCCN(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)C1 ZINC000328822225 404157154 /nfs/dbraw/zinc/15/71/54/404157154.db2.gz GBLZVSDAOMQMCK-NWANDNLSSA-N 0 0 309.410 2.156 10 30 DEEERN C[C@H](CNC(=O)C[C@H]1CCCCNC1=O)CN1CCOCC1 ZINC000328775222 404147781 /nfs/dbraw/zinc/14/77/81/404147781.db2.gz CDNPVXHAMROFOX-ZIAGYGMSSA-N 0 0 311.426 2.058 10 30 DEEERN COc1cnc(NC(=O)NCCO[C@@H]2CCCC[C@@H]2C)nc1 ZINC000328897199 404171237 /nfs/dbraw/zinc/17/12/37/404171237.db2.gz XHEKZIDHOMUEON-WCQYABFASA-N 0 0 308.382 2.406 10 30 DEEERN O=C(N[C@@H]1CCCc2occc21)N1CCC[C@H]1Cn1ccnn1 ZINC000328952604 404180632 /nfs/dbraw/zinc/18/06/32/404180632.db2.gz CZIBLVLTYYPSCT-GXTWGEPZSA-N 0 0 315.377 2.327 10 30 DEEERN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c(n1)CCCC2 ZINC000328959776 404182022 /nfs/dbraw/zinc/18/20/22/404182022.db2.gz KEYJZLVLRAIMFU-OCCSQVGLSA-N 0 0 301.390 2.445 10 30 DEEERN C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000329116078 404234254 /nfs/dbraw/zinc/23/42/54/404234254.db2.gz ILFMRHRIXKZDLN-KFWWJZLASA-N 0 0 305.426 2.483 10 30 DEEERN CC[C@H](C)[C@H]1CCCCN1C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329252527 404280456 /nfs/dbraw/zinc/28/04/56/404280456.db2.gz BYNRCNRNMBSVER-BYNSBNAKSA-N 0 0 321.425 2.033 10 30 DEEERN C=CCCN(C)C(=O)C(=O)NCCc1ccc(OC)cc1Cl ZINC000352400222 404341974 /nfs/dbraw/zinc/34/19/74/404341974.db2.gz QFEDYBLKWIHJOQ-UHFFFAOYSA-N 0 0 324.808 2.042 10 30 DEEERN C#CCOc1ccccc1CNC(=O)N[C@@H]1CCOC1(C)C ZINC000296537399 404297018 /nfs/dbraw/zinc/29/70/18/404297018.db2.gz VCLSIBLGGFMGPP-OAHLLOKOSA-N 0 0 302.374 2.065 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC000364059413 404302473 /nfs/dbraw/zinc/30/24/73/404302473.db2.gz WZDJGIBUESOARX-UKRRQHHQSA-N 0 0 301.390 2.015 10 30 DEEERN C[C@@H]1CC(CNC(=O)NC[C@@H]2CCCn3ccnc32)C[C@@H](C)O1 ZINC000329338114 404307099 /nfs/dbraw/zinc/30/70/99/404307099.db2.gz QGBDMTOROCBTII-NFAWXSAZSA-N 0 0 320.437 2.468 10 30 DEEERN C=CCSCCNC(=O)C(=O)NCc1ccc(C2CC2)cc1 ZINC000355302070 404321525 /nfs/dbraw/zinc/32/15/25/404321525.db2.gz UYOPMBJHQVDXHT-UHFFFAOYSA-N 0 0 318.442 2.216 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000412590420 404363563 /nfs/dbraw/zinc/36/35/63/404363563.db2.gz OYTPSQMNAFLPBL-KBXCAEBGSA-N 0 0 300.402 2.244 10 30 DEEERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CCCSC1 ZINC000329523460 404364646 /nfs/dbraw/zinc/36/46/46/404364646.db2.gz PXTMIPPMHZPWBN-MNOVXSKESA-N 0 0 310.423 2.359 10 30 DEEERN CC(C)CC1(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000364359081 404366034 /nfs/dbraw/zinc/36/60/34/404366034.db2.gz MVEQJFZJIDZNHK-HNNXBMFYSA-N 0 0 304.438 2.194 10 30 DEEERN C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](C)C(C)C)c1 ZINC000352485847 404404837 /nfs/dbraw/zinc/40/48/37/404404837.db2.gz IMUFUOGBPGDTQK-CYBMUJFWSA-N 0 0 324.446 2.173 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1c(CC)nc2ccc(Cl)cn21 ZINC000291528227 404415319 /nfs/dbraw/zinc/41/53/19/404415319.db2.gz SIMHCYNODDZJPJ-LLVKDONJSA-N 0 0 307.781 2.217 10 30 DEEERN CC(=O)N1CCC[C@H](CNC(=O)N2CC3(CCC3)[C@H]2C2CC2)C1 ZINC000329676796 404417973 /nfs/dbraw/zinc/41/79/73/404417973.db2.gz UYBLAMBKMJETBF-GDBMZVCRSA-N 0 0 319.449 2.423 10 30 DEEERN Cc1cc(=O)[nH]cc1C(=O)NCc1c2c(nn1C)CCCC2 ZINC000329723798 404433918 /nfs/dbraw/zinc/43/39/18/404433918.db2.gz FQHBITQDDJGMQV-UHFFFAOYSA-N 0 0 300.362 2.213 10 30 DEEERN C=CC[C@H](CO)CNC(=O)Cc1ccc(Br)s1 ZINC000342204530 404441182 /nfs/dbraw/zinc/44/11/82/404441182.db2.gz HDXMEAUONSRVHQ-VIFPVBQESA-N 0 0 318.236 2.354 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1ccc2cc(OC)ccc2n1 ZINC000342206519 404441894 /nfs/dbraw/zinc/44/18/94/404441894.db2.gz JRICLANVYRKTIG-LBPRGKRZSA-N 0 0 300.358 2.158 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC000342206640 404442144 /nfs/dbraw/zinc/44/21/44/404442144.db2.gz NLRIOCCBWPFTOO-LLVKDONJSA-N 0 0 318.373 2.100 10 30 DEEERN C=CC[C@H](CO)CNC(=O)COc1ccc(/C=C\C)cc1OC ZINC000342211387 404444676 /nfs/dbraw/zinc/44/46/76/404444676.db2.gz ONPOOHUEQLIZIZ-VOKGJARPSA-N 0 0 319.401 2.408 10 30 DEEERN C[C@H]1CCOCCN1C(=O)Nc1ncccc1OCCCC#N ZINC000364889050 404541499 /nfs/dbraw/zinc/54/14/99/404541499.db2.gz PDCGVWWBBAESCY-ZDUSSCGKSA-N 0 0 318.377 2.407 10 30 DEEERN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CCc2cncnc2C1 ZINC000330059466 404541912 /nfs/dbraw/zinc/54/19/12/404541912.db2.gz KYXVORCQAMKKSK-HOCLYGCPSA-N 0 0 318.421 2.342 10 30 DEEERN Cc1ccnc(C2CCN(C(=O)NCCCCC#N)CC2)n1 ZINC000364881356 404542618 /nfs/dbraw/zinc/54/26/18/404542618.db2.gz IKOCNNLBNMMZPN-UHFFFAOYSA-N 0 0 301.394 2.368 10 30 DEEERN C=CCCO[C@@H](C)c1nc(Cc2nc(C3CC3)nn2C)no1 ZINC000351373035 404564175 /nfs/dbraw/zinc/56/41/75/404564175.db2.gz SZWSIESETLDHNY-JTQLQIEISA-N 0 0 303.366 2.320 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@@H](C)Cn2ccnc2C)cc1 ZINC000297851625 404642002 /nfs/dbraw/zinc/64/20/02/404642002.db2.gz ZPXQRFCIJSKIIJ-CQSZACIVSA-N 0 0 310.401 2.308 10 30 DEEERN C=C(C)CN(CC(=O)NC(C)(C)CC)Cc1ccc(CO)o1 ZINC000352818902 404645651 /nfs/dbraw/zinc/64/56/51/404645651.db2.gz VIAOWKXFQXKNDW-UHFFFAOYSA-N 0 0 308.422 2.455 10 30 DEEERN C=CCCCNC(=O)C(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000342488188 404611088 /nfs/dbraw/zinc/61/10/88/404611088.db2.gz YUEWNTMZXOPKLM-MRXNPFEDSA-N 0 0 318.392 2.442 10 30 DEEERN CC[C@]1(O)CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000330279259 404612888 /nfs/dbraw/zinc/61/28/88/404612888.db2.gz QTQRJUZBTCTXBH-NUJGCVRESA-N 0 0 317.433 2.193 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000345224382 404624665 /nfs/dbraw/zinc/62/46/65/404624665.db2.gz COLKLDMICHYVCI-OAHLLOKOSA-N 0 0 306.406 2.035 10 30 DEEERN C=CCc1cc(C(=O)N(C)Cc2cc[nH]n2)cc(OC)c1OC ZINC000351597899 404664250 /nfs/dbraw/zinc/66/42/50/404664250.db2.gz GZSDJEQAXVEJMY-UHFFFAOYSA-N 0 0 315.373 2.428 10 30 DEEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H](C)c2nc(C)no2)cn1 ZINC000330360163 404636931 /nfs/dbraw/zinc/63/69/31/404636931.db2.gz WVEXHLQLXQGMME-JIMOISOXSA-N 0 0 319.365 2.390 10 30 DEEERN C=CC[C@@H]1N(C(=O)C(=O)NCC[C@H]2CCOC2)CCCC1(C)C ZINC000356767166 404685426 /nfs/dbraw/zinc/68/54/26/404685426.db2.gz GOJADPAYRWVROE-GJZGRUSLSA-N 0 0 322.449 2.123 10 30 DEEERN C#Cc1ccccc1CC(=O)N1CCC(c2nnc(CC)[nH]2)CC1 ZINC000365636111 404703915 /nfs/dbraw/zinc/70/39/15/404703915.db2.gz QCHKMBKJGQDCIR-UHFFFAOYSA-N 0 0 322.412 2.297 10 30 DEEERN C#CCN(C(=O)NCc1ccc(-n2ccnc2)nc1)C1CCCC1 ZINC000365950248 404747151 /nfs/dbraw/zinc/74/71/51/404747151.db2.gz XOZRBTHDTVAJJJ-UHFFFAOYSA-N 0 0 323.400 2.355 10 30 DEEERN CCc1nc(C)c(NC(=O)C(=O)NCC(C)(C)CCC#N)s1 ZINC000357986937 404750535 /nfs/dbraw/zinc/75/05/35/404750535.db2.gz LNHNYZPDYFJETF-UHFFFAOYSA-N 0 0 322.434 2.399 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@H](C)Cc1cccc(OC)c1 ZINC000358425644 404761558 /nfs/dbraw/zinc/76/15/58/404761558.db2.gz IMQOTIMBGZIYPE-CQSZACIVSA-N 0 0 306.406 2.470 10 30 DEEERN CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000357034418 404724997 /nfs/dbraw/zinc/72/49/97/404724997.db2.gz YXDHGHNGDDUETL-LLVKDONJSA-N 0 0 324.344 2.008 10 30 DEEERN C=CCN(CCOC)C(=O)NCc1nc2cc(C)ccc2[nH]1 ZINC000358911933 404778738 /nfs/dbraw/zinc/77/87/38/404778738.db2.gz DRQQGKUBRUEXRG-UHFFFAOYSA-N 0 0 302.378 2.215 10 30 DEEERN C=CCOCC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000360750962 404836335 /nfs/dbraw/zinc/83/63/35/404836335.db2.gz QDYZMTZSWNACBY-UHFFFAOYSA-N 0 0 301.302 2.014 10 30 DEEERN C=CC[C@H](CC)NC(=O)NC(C)(C)c1cc(C(=O)OC)on1 ZINC000359104223 404784387 /nfs/dbraw/zinc/78/43/87/404784387.db2.gz MVIKFFCOZBETPR-JTQLQIEISA-N 0 0 309.366 2.350 10 30 DEEERN C=CCOc1ccc(CNC(=O)N[C@@](C)(CO)C(C)C)cc1 ZINC000359471511 404794121 /nfs/dbraw/zinc/79/41/21/404794121.db2.gz MESRCWXVTNODIH-KRWDZBQOSA-N 0 0 306.406 2.458 10 30 DEEERN CC1(C)CN(c2ccc(Cl)c(C#N)n2)C[C@]2(CCOC2)O1 ZINC000366528626 404808690 /nfs/dbraw/zinc/80/86/90/404808690.db2.gz FOEQJECWSBPUTH-HNNXBMFYSA-N 0 0 307.781 2.381 10 30 DEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000360082365 404817507 /nfs/dbraw/zinc/81/75/07/404817507.db2.gz KZXKEFQUVSDZRQ-IRXDYDNUSA-N 0 0 323.400 2.423 10 30 DEEERN C[C@@H](C(=O)Nc1c(F)cc(Cl)cc1F)n1cnc(C#N)n1 ZINC000361024820 404882660 /nfs/dbraw/zinc/88/26/60/404882660.db2.gz DXCVXGRQNWRJGS-LURJTMIESA-N 0 0 311.679 2.281 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NCCc1cnc(C2CC2)nc1 ZINC000353625747 404890089 /nfs/dbraw/zinc/89/00/89/404890089.db2.gz WERXXURKPXOJPC-QGZVFWFLSA-N 0 0 303.406 2.242 10 30 DEEERN C=CCC1(C(=O)N2CCN(CC(F)(F)F)C(=O)C2)CCCC1 ZINC000451709212 405019230 /nfs/dbraw/zinc/01/92/30/405019230.db2.gz KDJYGQKWNSEYQM-UHFFFAOYSA-N 0 0 318.339 2.356 10 30 DEEERN C=CCC(C)(C)CNC(=O)Nc1ncc(C(=O)OCC)n1C ZINC000417096651 405034482 /nfs/dbraw/zinc/03/44/82/405034482.db2.gz AFZAXXZQAHRKDO-UHFFFAOYSA-N 0 0 308.382 2.321 10 30 DEEERN C=CCCCCNC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000367236219 404977363 /nfs/dbraw/zinc/97/73/63/404977363.db2.gz GDPSQQZTFHXXTQ-CABCVRRESA-N 0 0 310.438 2.210 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccnc(OC(F)F)c1 ZINC000451394510 404978944 /nfs/dbraw/zinc/97/89/44/404978944.db2.gz SJAIODLEMKYWSW-YPMHNXCESA-N 0 0 312.316 2.394 10 30 DEEERN CO[C@@H](C)CN(C(C)C)S(=O)(=O)c1ccc(C#N)s1 ZINC000435439479 404980737 /nfs/dbraw/zinc/98/07/37/404980737.db2.gz SUFQLZARPZYCTC-JTQLQIEISA-N 0 0 302.421 2.054 10 30 DEEERN N#Cc1ccnc(NC(=O)c2ccc(OCC(F)F)nc2)c1 ZINC000436014753 405036008 /nfs/dbraw/zinc/03/60/08/405036008.db2.gz GIZYNOUNGVDRPD-UHFFFAOYSA-N 0 0 304.256 2.244 10 30 DEEERN N#C[C@H]1CC[C@@H](Nc2ncc(I)cn2)C1 ZINC000389904998 405041137 /nfs/dbraw/zinc/04/11/37/405041137.db2.gz GOPZQAXGOISVFY-IONNQARKSA-N 0 0 314.130 2.185 10 30 DEEERN CCOC1(C)CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000399963474 405063192 /nfs/dbraw/zinc/06/31/92/405063192.db2.gz FTHOIICNAWPQOT-UHFFFAOYSA-N 0 0 314.794 2.011 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NC[C@]1(C)OCCc2sccc21 ZINC000451849933 405065646 /nfs/dbraw/zinc/06/56/46/405065646.db2.gz LADCGUIZKZFDAK-INIZCTEOSA-N 0 0 315.398 2.176 10 30 DEEERN Cc1cc(C)nc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)n1 ZINC000361434451 405074629 /nfs/dbraw/zinc/07/46/29/405074629.db2.gz CTSGLFWUEOHTFG-MRXNPFEDSA-N 0 0 318.377 2.294 10 30 DEEERN C=CCC[C@@H](CO)NS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000452022326 405128574 /nfs/dbraw/zinc/12/85/74/405128574.db2.gz KXEYFVHPBMDKAE-JTQLQIEISA-N 0 0 321.801 2.393 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000361509131 405108435 /nfs/dbraw/zinc/10/84/35/405108435.db2.gz AFGPBFSCMYMEKF-YJBOKZPZSA-N 0 0 324.465 2.069 10 30 DEEERN Cc1cc(C#N)nc(N(C)[C@H](C)c2ccc(-n3cncn3)cc2)n1 ZINC000367640589 405111005 /nfs/dbraw/zinc/11/10/05/405111005.db2.gz APHTVIVZAAWHSB-CYBMUJFWSA-N 0 0 319.372 2.435 10 30 DEEERN C=CCC1(C(=O)Nc2cc(C(N)=O)ccc2C)CCOCC1 ZINC000424621210 405131713 /nfs/dbraw/zinc/13/17/13/405131713.db2.gz DZWDCQRTDFBQCY-UHFFFAOYSA-N 0 0 302.374 2.405 10 30 DEEERN C=CCC1(C(=O)NCCc2cn3ccccc3n2)CCOCC1 ZINC000424558353 405115422 /nfs/dbraw/zinc/11/54/22/405115422.db2.gz JKUBVZWRSMJXOY-UHFFFAOYSA-N 0 0 313.401 2.366 10 30 DEEERN Cn1nc2c(c1CNC(=O)C1(C#N)CCCCC1)CCCC2 ZINC000408234917 405148210 /nfs/dbraw/zinc/14/82/10/405148210.db2.gz ALMAMARRVOLDQG-UHFFFAOYSA-N 0 0 300.406 2.389 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)CCOCC1 ZINC000424673798 405146289 /nfs/dbraw/zinc/14/62/89/405146289.db2.gz ZJWGBCXRMXHUJD-HUUCEWRRSA-N 0 0 322.449 2.123 10 30 DEEERN C=CCC1(C(=O)N(C)Cc2nc([C@H](C)OC)no2)CCOCC1 ZINC000424705010 405154709 /nfs/dbraw/zinc/15/47/09/405154709.db2.gz NCWPNFGHXWKOKI-LBPRGKRZSA-N 0 0 323.393 2.108 10 30 DEEERN C=CCCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000436850171 405152491 /nfs/dbraw/zinc/15/24/91/405152491.db2.gz ZBYRIOVKQMXKJZ-CQSZACIVSA-N 0 0 302.374 2.031 10 30 DEEERN C=CCC1(C(=O)N2C[C@@H](C)O[C@@]3(CCCOC3)C2)CCOCC1 ZINC000424840703 405193086 /nfs/dbraw/zinc/19/30/86/405193086.db2.gz RWEATGWJLDWOET-QAPCUYQASA-N 0 0 323.433 2.156 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](C)C[C@H]3C)cc2C1=O ZINC000354403300 405197429 /nfs/dbraw/zinc/19/74/29/405197429.db2.gz OSMBUGTWQZOMNR-VXGBXAGGSA-N 0 0 312.369 2.339 10 30 DEEERN Cn1cc([C@H]2CCCN(c3nc4ccccn4c3C#N)C2)cn1 ZINC000367974728 405208173 /nfs/dbraw/zinc/20/81/73/405208173.db2.gz UGTHOVDZCAPSSH-ZDUSSCGKSA-N 0 0 306.373 2.323 10 30 DEEERN C=CCn1cc(CNC(=O)Cc2c(C)cccc2Cl)nn1 ZINC000424905424 405209510 /nfs/dbraw/zinc/20/95/10/405209510.db2.gz AZDMSQPRHQOVEV-UHFFFAOYSA-N 0 0 304.781 2.285 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1cc(C(C)=O)ccc1OC ZINC000424913550 405211583 /nfs/dbraw/zinc/21/15/83/405211583.db2.gz LBPVXTNSHHCIQA-HOCLYGCPSA-N 0 0 317.385 2.148 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccoc1Br ZINC000424927638 405213967 /nfs/dbraw/zinc/21/39/67/405213967.db2.gz XAFMCHHIVRDDTN-WPRPVWTQSA-N 0 0 300.152 2.363 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@H]1OCCc2ccccc21 ZINC000424932245 405215105 /nfs/dbraw/zinc/21/51/05/405215105.db2.gz MERHURIDWARYSH-BHYGNILZSA-N 0 0 301.386 2.398 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1csc(CC)n1 ZINC000425432726 405289572 /nfs/dbraw/zinc/28/95/72/405289572.db2.gz JDTDOABXEZINGH-AAEUAGOBSA-N 0 0 309.435 2.138 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1cc(C(C)=O)ccc1S(C)(=O)=O ZINC000425279689 405268030 /nfs/dbraw/zinc/26/80/30/405268030.db2.gz JBDSQYKJDHJLBO-ZFWWWQNUSA-N 0 0 323.414 2.296 10 30 DEEERN C=C1CCN(Cc2ccc(S(=O)(=O)N(C)C)s2)CC1 ZINC000425400904 405285167 /nfs/dbraw/zinc/28/51/67/405285167.db2.gz GNDVIXICURHMQN-UHFFFAOYSA-N 0 0 300.449 2.150 10 30 DEEERN C=CCC[C@@H](C(=O)N1CCN2C(=O)N=NC2C1)c1ccccc1 ZINC000438456309 405247422 /nfs/dbraw/zinc/24/74/22/405247422.db2.gz DZBNTTMAMDOIAD-CQSZACIVSA-N 0 0 312.373 2.076 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000452922683 405259883 /nfs/dbraw/zinc/25/98/83/405259883.db2.gz DVYPSBOOGOATSO-HLLBOEOZSA-N 0 0 314.385 2.421 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCOC)[C@H]1CC[C@H](C)C1 ZINC000425857783 405324964 /nfs/dbraw/zinc/32/49/64/405324964.db2.gz PTFZUPJYIHBTCS-VGWMRTNUSA-N 0 0 310.438 2.424 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCCC[C@H]1C ZINC000425881335 405326118 /nfs/dbraw/zinc/32/61/18/405326118.db2.gz HCDYTPNIWHVGCO-WCVJEAGWSA-N 0 0 322.449 2.026 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1[C@@H](C)CCC ZINC000425910883 405328754 /nfs/dbraw/zinc/32/87/54/405328754.db2.gz YWQMOCNIYKNMCS-JONQDZQNSA-N 0 0 322.449 2.121 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC1CCC(OC)CC1 ZINC000425521262 405299185 /nfs/dbraw/zinc/29/91/85/405299185.db2.gz ZJXXQLVPRPMEHE-GRAKBVBRSA-N 0 0 310.438 2.472 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2ccc(F)cc2C1 ZINC000425562386 405303751 /nfs/dbraw/zinc/30/37/51/405303751.db2.gz FZBOZKIBSWTLPX-BBRMVZONSA-N 0 0 304.365 2.485 10 30 DEEERN CC(C)C[C@](C)(C#N)NC(=O)C1CN(C(=O)C2CCCCC2)C1 ZINC000455248287 405390978 /nfs/dbraw/zinc/39/09/78/405390978.db2.gz HNTSCJIACSXRAQ-GOSISDBHSA-N 0 0 319.449 2.470 10 30 DEEERN C=CC(C)(C)CNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000455388611 405404129 /nfs/dbraw/zinc/40/41/29/405404129.db2.gz RWYCMAANVYSNKC-AWEZNQCLSA-N 0 0 319.453 2.209 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCc2ccc(F)c(F)c2C1 ZINC000455416877 405407214 /nfs/dbraw/zinc/40/72/14/405407214.db2.gz SKAOGYYRKHQBSO-KGLIPLIRSA-N 0 0 308.328 2.376 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000427659735 405418248 /nfs/dbraw/zinc/41/82/48/405418248.db2.gz LMANKZAZBHWQRN-JSGCOSHPSA-N 0 0 316.405 2.360 10 30 DEEERN N#Cc1cccc(/C=C\c2nc(-c3cc(C(N)=O)c[nH]3)no2)c1 ZINC000568588794 292350393 /nfs/dbraw/zinc/35/03/93/292350393.db2.gz SJVUBVBGPUFYCD-PLNGDYQASA-N 0 0 305.297 2.206 10 30 DEEERN C=CCOc1ccc(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000448964492 405476811 /nfs/dbraw/zinc/47/68/11/405476811.db2.gz VPEHBKKCQMEGFZ-QGZVFWFLSA-N 0 0 314.429 2.489 10 30 DEEERN CN(C(=O)c1ccc(C#N)n1C)[C@H](CO)c1ccc(Cl)cc1 ZINC000456058772 405485191 /nfs/dbraw/zinc/48/51/91/405485191.db2.gz HCWRWYGREHMGRG-OAHLLOKOSA-N 0 0 317.776 2.356 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)C1CCC1 ZINC000456853410 405592601 /nfs/dbraw/zinc/59/26/01/405592601.db2.gz FMMVNTQSHFDYRN-RDJZCZTQSA-N 0 0 316.401 2.239 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000633427505 405640430 /nfs/dbraw/zinc/64/04/30/405640430.db2.gz BQFQSZKPHDNOOX-CQSZACIVSA-N 0 0 302.349 2.404 10 30 DEEERN C[C@@H](C(=O)N[C@](C)(Cc1ccccc1)C1CC1)n1cnc(C#N)n1 ZINC000457011233 405654385 /nfs/dbraw/zinc/65/43/85/405654385.db2.gz HFQCUUNLEFIVQF-SCLBCKFNSA-N 0 0 323.400 2.238 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)NCC[C@@](C)(O)COC ZINC000458934945 405662094 /nfs/dbraw/zinc/66/20/94/405662094.db2.gz KSKZPBDNQMVELB-QGZVFWFLSA-N 0 0 324.396 2.311 10 30 DEEERN C=CCC[C@@H](NCc1ccc(-n2cncn2)cc1)C(=O)OCC ZINC000449660718 405668767 /nfs/dbraw/zinc/66/87/67/405668767.db2.gz YJXRSQGXXFHOEK-MRXNPFEDSA-N 0 0 314.389 2.255 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC000558673710 405686851 /nfs/dbraw/zinc/68/68/51/405686851.db2.gz FCNXIGFDMJEABP-ZIAGYGMSSA-N 0 0 320.437 2.424 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)C1(c2nccc3ccccc32)CC1 ZINC000633583892 405728623 /nfs/dbraw/zinc/72/86/23/405728623.db2.gz GXPPNLRAADATIC-HNNXBMFYSA-N 0 0 308.381 2.157 10 30 DEEERN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)n2C)C12CCC2 ZINC000450138466 405753349 /nfs/dbraw/zinc/75/33/49/405753349.db2.gz AUCVVTQWFSHYSG-CABCVRRESA-N 0 0 301.390 2.316 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N(CC(C2CCC2)C2CCC2)C1=O ZINC000530196994 405775951 /nfs/dbraw/zinc/77/59/51/405775951.db2.gz QPGFDFPTWONMRD-HNNXBMFYSA-N 0 0 306.406 2.326 10 30 DEEERN C=CCOCCNCc1snc(OC)c1Br ZINC000638973615 405790460 /nfs/dbraw/zinc/79/04/60/405790460.db2.gz YLQCUNMLATWGDK-UHFFFAOYSA-N 0 0 307.213 2.206 10 30 DEEERN Cc1cc(C#N)nc(N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000583616378 405773918 /nfs/dbraw/zinc/77/39/18/405773918.db2.gz LVFSAQFLEKMKTR-IUODEOHRSA-N 0 0 316.311 2.247 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@]1(O)CCCC(C)(C)CC1 ZINC000633890496 405892324 /nfs/dbraw/zinc/89/23/24/405892324.db2.gz XPYDGRQATKNIIB-CRAIPNDOSA-N 0 0 324.465 2.295 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(-c2ncon2)cc1 ZINC000584345435 405862272 /nfs/dbraw/zinc/86/22/72/405862272.db2.gz CDJAELXIFZZRLS-JSGCOSHPSA-N 0 0 314.345 2.449 10 30 DEEERN Cc1cccc(N(CCC(N)=O)C(=O)Cc2cccc(C#N)c2)c1 ZINC000531392401 405952114 /nfs/dbraw/zinc/95/21/14/405952114.db2.gz VIIRVYIBZQFPRA-UHFFFAOYSA-N 0 0 321.380 2.318 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC000636348127 405905064 /nfs/dbraw/zinc/90/50/64/405905064.db2.gz DTSVCZQQUPMIFQ-GJZGRUSLSA-N 0 0 310.344 2.423 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCc1ccccc1OC ZINC000636465558 405972584 /nfs/dbraw/zinc/97/25/84/405972584.db2.gz DLJLJDREEDBCMQ-UHFFFAOYSA-N 0 0 318.417 2.072 10 30 DEEERN C[C@@H]1CCN(C(=O)Cc2cccc(C#N)c2)C[C@@H]1n1ccnc1 ZINC000531581197 405981762 /nfs/dbraw/zinc/98/17/62/405981762.db2.gz UPVJWXMSFLHAOG-PBHICJAKSA-N 0 0 308.385 2.407 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CN(C(C)C)C1 ZINC000457748383 405982749 /nfs/dbraw/zinc/98/27/49/405982749.db2.gz PXYOTVBVSQGNCL-KRWDZBQOSA-N 0 0 315.417 2.170 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc(OCC)cc1 ZINC000636521859 405998651 /nfs/dbraw/zinc/99/86/51/405998651.db2.gz LMZABAZHAMUKEM-UHFFFAOYSA-N 0 0 318.417 2.420 10 30 DEEERN C=CCCn1cc(C(=O)N2CC(c3ccccc3F)C2)nn1 ZINC000566137904 406085897 /nfs/dbraw/zinc/08/58/97/406085897.db2.gz VZSCXUDNALAXGA-UHFFFAOYSA-N 0 0 300.337 2.233 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000636811338 406088583 /nfs/dbraw/zinc/08/85/83/406088583.db2.gz UDPQEGJEYRWDRL-HUUCEWRRSA-N 0 0 324.465 2.416 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000636817390 406090318 /nfs/dbraw/zinc/09/03/18/406090318.db2.gz UNHSLZANPAQIBF-CABCVRRESA-N 0 0 324.465 2.415 10 30 DEEERN C=CCCCS(=O)(=O)NC[C@@H]1CSc2ccccc2O1 ZINC000566971824 406093398 /nfs/dbraw/zinc/09/33/98/406093398.db2.gz QCJFCFNJVQWKAO-GFCCVEGCSA-N 0 0 313.444 2.425 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@]1(C2CCCC2)CCNC1=O ZINC000636702433 406057301 /nfs/dbraw/zinc/05/73/01/406057301.db2.gz WFLIXHQXTZAYJU-AWEZNQCLSA-N 0 0 318.339 2.260 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1cncc(C)c1 ZINC000636723393 406062841 /nfs/dbraw/zinc/06/28/41/406062841.db2.gz YTAFFOSAOKDFSW-UHFFFAOYSA-N 0 0 303.406 2.115 10 30 DEEERN C=CCCOCCCCC(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000634234533 406064911 /nfs/dbraw/zinc/06/49/11/406064911.db2.gz AYWCBWUXECUBQY-QWHCGFSZSA-N 0 0 323.355 2.379 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC000564860632 406067452 /nfs/dbraw/zinc/06/74/52/406067452.db2.gz XPNQLOUEPFYZGH-NOLJZWGESA-N 0 0 303.406 2.483 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCCc1cc(F)ccc1F ZINC000565227576 406071035 /nfs/dbraw/zinc/07/10/35/406071035.db2.gz ASYPTAZWXXJVJK-UHFFFAOYSA-N 0 0 324.371 2.486 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000637042802 406159978 /nfs/dbraw/zinc/15/99/78/406159978.db2.gz RCBZJPUDUYMEOJ-HUUCEWRRSA-N 0 0 322.449 2.169 10 30 DEEERN CN1Cc2ccccc2[C@H](NC(=O)Cc2cccc(C#N)c2)C1 ZINC000533831287 406162797 /nfs/dbraw/zinc/16/27/97/406162797.db2.gz IRXMZFDKLVJGHU-GOSISDBHSA-N 0 0 305.381 2.404 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000516863699 406107145 /nfs/dbraw/zinc/10/71/45/406107145.db2.gz MPOLUHMMXIHOST-ZQDZILKHSA-N 0 0 310.438 2.423 10 30 DEEERN C=CCn1c(-c2ncccn2)nnc1N1CCC(CCF)CC1 ZINC000634341216 406107588 /nfs/dbraw/zinc/10/75/88/406107588.db2.gz OUCZUZYIZYIWBW-UHFFFAOYSA-N 0 0 316.384 2.497 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCC1CC(OCC)C1 ZINC000636921475 406122985 /nfs/dbraw/zinc/12/29/85/406122985.db2.gz DRQCZYZOKNRHMT-UHFFFAOYSA-N 0 0 310.438 2.026 10 30 DEEERN C=CCOc1ccccc1CNC(=O)NCc1ncccc1O ZINC000471869445 406126198 /nfs/dbraw/zinc/12/61/98/406126198.db2.gz JZYNEYUYPVXQCB-UHFFFAOYSA-N 0 0 313.357 2.351 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000636939568 406128155 /nfs/dbraw/zinc/12/81/55/406128155.db2.gz KDXDGZYXPSBISY-CQSZACIVSA-N 0 0 322.449 2.170 10 30 DEEERN C=CCOc1cccc(NC(=O)NC2(CC(N)=O)CCC2)c1 ZINC000639586661 406157338 /nfs/dbraw/zinc/15/73/38/406157338.db2.gz LIDJWEQBUHBJKI-UHFFFAOYSA-N 0 0 303.362 2.171 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCSCC[C@H]1C ZINC000632542937 406176664 /nfs/dbraw/zinc/17/66/64/406176664.db2.gz MVMDJTJDFIPIKL-CYBMUJFWSA-N 0 0 312.479 2.449 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC(CCF)CC2)C1 ZINC000632659712 406217951 /nfs/dbraw/zinc/21/79/51/406217951.db2.gz MPHMAPJJICWMGN-OAHLLOKOSA-N 0 0 310.413 2.399 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](O)[C@H]1CCCO1 ZINC000637224884 406220208 /nfs/dbraw/zinc/22/02/08/406220208.db2.gz RYGDMUNNDHUGIF-BRWVUGGUSA-N 0 0 318.417 2.013 10 30 DEEERN C=CCCCCCNC(=O)[C@H](C)Sc1nnnn1C1CC1 ZINC000568662670 406220250 /nfs/dbraw/zinc/22/02/50/406220250.db2.gz HNKORWFRBOYQOE-NSHDSACASA-N 0 0 309.439 2.351 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1 ZINC000637263104 406233487 /nfs/dbraw/zinc/23/34/87/406233487.db2.gz DWJZXMOJZNCWIP-HIFRSBDPSA-N 0 0 313.401 2.182 10 30 DEEERN C=CCCCCNC(=O)C(=O)NCC1([C@H]2CCCCO2)CCC1 ZINC000637239268 406224673 /nfs/dbraw/zinc/22/46/73/406224673.db2.gz CNBUYGNPZJQLJZ-OAHLLOKOSA-N 0 0 322.449 2.315 10 30 DEEERN C=C[C@@](C)(O)CC(=O)N[C@H]1CC[C@H](Nc2ccccn2)CC1 ZINC000519643157 406227737 /nfs/dbraw/zinc/22/77/37/406227737.db2.gz MYYOIHHPXRUYOX-CKEIUWERSA-N 0 0 303.406 2.248 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000632536403 406173854 /nfs/dbraw/zinc/17/38/54/406173854.db2.gz MIEOTEGHECPSTI-UHFFFAOYSA-N 0 0 311.329 2.453 10 30 DEEERN C=CCOCCCNC(=O)N[C@@H]1COc2cccc(C)c2C1 ZINC000637274077 406237719 /nfs/dbraw/zinc/23/77/19/406237719.db2.gz AQOBSOLDZCOKKF-AWEZNQCLSA-N 0 0 304.390 2.190 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000637321110 406257751 /nfs/dbraw/zinc/25/77/51/406257751.db2.gz FCJXZONIJVOUQF-CQSZACIVSA-N 0 0 305.426 2.302 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000637350816 406270250 /nfs/dbraw/zinc/27/02/50/406270250.db2.gz LKKPVLQAJMUPCP-PHKINGBFSA-N 0 0 320.820 2.462 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CCC[C@H]2COCC[C@H]21 ZINC000537156917 406283969 /nfs/dbraw/zinc/28/39/69/406283969.db2.gz FLMXVJBVZKQKQQ-UONOGXRCSA-N 0 0 302.374 2.288 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCO[C@H]2c2nc(C)no2)C1 ZINC000637551421 406344827 /nfs/dbraw/zinc/34/48/27/406344827.db2.gz MMDZZVOPSRNQNM-HZSPNIEDSA-N 0 0 320.393 2.206 10 30 DEEERN C=CCNC(=O)CNC(=O)N(CCCC)Cc1ccccc1F ZINC000540756255 406297555 /nfs/dbraw/zinc/29/75/55/406297555.db2.gz PVPZHQVSJLOMRF-UHFFFAOYSA-N 0 0 321.396 2.440 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000635260551 406478623 /nfs/dbraw/zinc/47/86/23/406478623.db2.gz MDURBDYQUFUNPO-UHFFFAOYSA-N 0 0 318.373 2.462 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cnn2c1CCCC2 ZINC000635262555 406479832 /nfs/dbraw/zinc/47/98/32/406479832.db2.gz ZXZQDKSAWCVTTQ-UHFFFAOYSA-N 0 0 318.421 2.267 10 30 DEEERN C=CCC1(C(=O)N2CCC(c3c[nH]cn3)CC2)CCOCC1 ZINC000570937571 406459247 /nfs/dbraw/zinc/45/92/47/406459247.db2.gz CTGBOKLWCRMFOB-UHFFFAOYSA-N 0 0 303.406 2.489 10 30 DEEERN C=CCOc1ccc(C(=O)N(CCOC)[C@@H]2CCOC2)cc1 ZINC000490317924 406460044 /nfs/dbraw/zinc/46/00/44/406460044.db2.gz XTPAUSPLKFYORF-OAHLLOKOSA-N 0 0 305.374 2.129 10 30 DEEERN C=CCC[C@@H]1NC(=O)N([C@@H]2COc3ccc(F)cc3C2)C1=O ZINC000571777919 406566554 /nfs/dbraw/zinc/56/65/54/406566554.db2.gz GTZLGNYDIXTCLR-STQMWFEESA-N 0 0 304.321 2.016 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1oc(COC(C)(C)C)nc1C ZINC000572049921 406599942 /nfs/dbraw/zinc/59/99/42/406599942.db2.gz XKBBYNYJCCSIRR-GFCCVEGCSA-N 0 0 310.394 2.355 10 30 DEEERN N#Cc1cccc(CC(=O)NCc2ccnc(OC(F)F)c2)c1 ZINC000551682730 406629237 /nfs/dbraw/zinc/62/92/37/406629237.db2.gz ZXUBWNQNZRQKMS-UHFFFAOYSA-N 0 0 317.295 2.414 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1ccc(C(=O)OC)o1 ZINC000572899797 406762629 /nfs/dbraw/zinc/76/26/29/406762629.db2.gz MAFNTGJNRDLXNL-UHFFFAOYSA-N 0 0 301.364 2.091 10 30 DEEERN C#C[C@@H](NN)c1scc(Br)c1Br ZINC000575585844 406812681 /nfs/dbraw/zinc/81/26/81/406812681.db2.gz NMURPZWTCUSQDT-RXMQYKEDSA-N 0 0 310.014 2.411 10 30 DEEERN CCOC(=O)Cc1cc(OC(F)F)c(C#N)c([N+](=O)[O-])c1 ZINC000575387710 406808208 /nfs/dbraw/zinc/80/82/08/406808208.db2.gz JGVPAWOTPZFEPB-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN N#CCc1c(I)cc(F)cc1[N+](=O)[O-] ZINC000575707290 406821389 /nfs/dbraw/zinc/82/13/89/406821389.db2.gz UCERKPFYLNOAEW-UHFFFAOYSA-N 0 0 306.034 2.405 10 30 DEEERN CC(C)Cc1ccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)cc1 ZINC000129024711 196013298 /nfs/dbraw/zinc/01/32/98/196013298.db2.gz DOLCQTRIHDREEP-INIZCTEOSA-N 0 0 322.430 2.188 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)Nc1cc(Cl)c(=O)n(C)c1 ZINC000130583921 196093398 /nfs/dbraw/zinc/09/33/98/196093398.db2.gz MVSHELHBMHNAER-UHFFFAOYSA-N 0 0 301.733 2.471 10 30 DEEERN CC(=O)c1ccc(C#N)cc1Sc1n[nH]c(=O)n1C(C)C ZINC000131395856 196165205 /nfs/dbraw/zinc/16/52/05/196165205.db2.gz XXQHWQQAYREAON-UHFFFAOYSA-N 0 0 302.359 2.378 10 30 DEEERN Cc1csc(CNC(=O)c2cc(C)cc(C#CCO)c2)n1 ZINC000131606135 196183566 /nfs/dbraw/zinc/18/35/66/196183566.db2.gz RLBSNFYISVDXGY-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN CC(C)Cc1nn([C@]2(C)CCS(=O)(=O)C2)c(Cl)c1C#N ZINC000132446094 196256170 /nfs/dbraw/zinc/25/61/70/196256170.db2.gz DWTZECQRJHBTNL-CYBMUJFWSA-N 0 0 315.826 2.140 10 30 DEEERN N#Cc1c(Cl)n([C@H]2CCS(=O)(=O)C2)nc1C1CCCC1 ZINC000134263196 196374979 /nfs/dbraw/zinc/37/49/79/196374979.db2.gz ASQBIFNTLNUHHV-JTQLQIEISA-N 0 0 313.810 2.425 10 30 DEEERN C=CCN(CCO)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000134526003 196398139 /nfs/dbraw/zinc/39/81/39/196398139.db2.gz NRMCUVDLDBKSLO-UHFFFAOYSA-N 0 0 310.202 2.162 10 30 DEEERN N#Cc1ccc(C2(C(=O)N(CCO)Cc3cccnc3)CC2)cc1 ZINC000188813061 225033524 /nfs/dbraw/zinc/03/35/24/225033524.db2.gz MIVJUQGDKZPKSN-UHFFFAOYSA-N 0 0 321.380 2.006 10 30 DEEERN C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000188818923 225034589 /nfs/dbraw/zinc/03/45/89/225034589.db2.gz ZUJDOEDWSXJWMZ-LBPRGKRZSA-N 0 0 314.385 2.436 10 30 DEEERN N#C[C@H](NC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000189375189 225051260 /nfs/dbraw/zinc/05/12/60/225051260.db2.gz VQQSSDRGCNFRBC-STQMWFEESA-N 0 0 312.291 2.027 10 30 DEEERN C[C@](C#N)(NC(=O)CN1CCC[C@H](c2nccs2)C1)C1CC1 ZINC000195354752 225203350 /nfs/dbraw/zinc/20/33/50/225203350.db2.gz GAFHQQUMBASMNZ-BLLLJJGKSA-N 0 0 318.446 2.131 10 30 DEEERN N#Cc1cccc(N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1 ZINC000265476582 225332839 /nfs/dbraw/zinc/33/28/39/225332839.db2.gz FMZNYBMPIANGDF-KRWDZBQOSA-N 0 0 303.369 2.168 10 30 DEEERN O=C(N[C@H]1CC[C@H](O)CC1)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328730289 225790861 /nfs/dbraw/zinc/79/08/61/225790861.db2.gz WKYIOCZHATVIBQ-YHUYYLMFSA-N 0 0 319.405 2.109 10 30 DEEERN C[C@H](C(=O)Nc1cn(C)nc1-c1ccccc1)N1CCOCC1 ZINC000329202696 225847196 /nfs/dbraw/zinc/84/71/96/225847196.db2.gz YEXNKUTWKYUDJW-CYBMUJFWSA-N 0 0 314.389 2.396 10 30 DEEERN Cc1noc(C)c1[C@H](C)CNC(=O)N1CCO[C@H](C2CC2)C1 ZINC000330111062 225967998 /nfs/dbraw/zinc/96/79/98/225967998.db2.gz AUMSXNZLCNJCOI-YGRLFVJLSA-N 0 0 307.394 2.420 10 30 DEEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000330223784 225983317 /nfs/dbraw/zinc/98/33/17/225983317.db2.gz SLKTWBPDDDJIPD-RGCMKSIDSA-N 0 0 307.394 2.005 10 30 DEEERN C[C@H](Cn1cncn1)NC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C ZINC000331014700 226052688 /nfs/dbraw/zinc/05/26/88/226052688.db2.gz YWJOIGPOXIIMKW-NXEZZACHSA-N 0 0 319.331 2.243 10 30 DEEERN C[C@@](C#N)(NC(=O)CN1CCO[C@@H](C2CCCCC2)C1)C1CC1 ZINC000332896758 226100165 /nfs/dbraw/zinc/10/01/65/226100165.db2.gz LQRJXMBTQWZGQO-AEFFLSMTSA-N 0 0 319.449 2.076 10 30 DEEERN N#C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCC3)CCN1C1CC1 ZINC000369219230 227028193 /nfs/dbraw/zinc/02/81/93/227028193.db2.gz MZPIBGVFPDZAPP-QGZVFWFLSA-N 0 0 310.401 2.379 10 30 DEEERN Cc1ccccc1C(C)(C)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000370974886 227062143 /nfs/dbraw/zinc/06/21/43/227062143.db2.gz VTDKTHKIKXYPFW-MRXNPFEDSA-N 0 0 311.429 2.471 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCCC[C@H](C)C1 ZINC000290462458 221672691 /nfs/dbraw/zinc/67/26/91/221672691.db2.gz SSKLCGSVOVDFEC-UONOGXRCSA-N 0 0 306.410 2.178 10 30 DEEERN C=C(C)COc1cc(CN[C@@H](CF)C(=O)OC)ccc1OC ZINC000290582076 221760303 /nfs/dbraw/zinc/76/03/03/221760303.db2.gz USEIEEBTZGGYJL-ZDUSSCGKSA-N 0 0 311.353 2.251 10 30 DEEERN N#C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CCN1C1CC1 ZINC000373832246 227119969 /nfs/dbraw/zinc/11/99/69/227119969.db2.gz QYUUSPWNMOVPPT-YESZJQIVSA-N 0 0 313.376 2.128 10 30 DEEERN N#CCC1(CS(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000408455775 227234202 /nfs/dbraw/zinc/23/42/02/227234202.db2.gz FAEVTFLBPZBLGB-SNVBAGLBSA-N 0 0 310.341 2.284 10 30 DEEERN Cc1noc(CCCN2CCC[C@]3(CCCCO3)[C@H]2C#N)n1 ZINC000408450511 227234318 /nfs/dbraw/zinc/23/43/18/227234318.db2.gz HRGYTIYMPUZOEJ-GDBMZVCRSA-N 0 0 304.394 2.238 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccn(Cc3ccncc3)n2)c1 ZINC000531392583 421632464 /nfs/dbraw/zinc/63/24/64/421632464.db2.gz CIJOKPKOUGNRIQ-UHFFFAOYSA-N 0 0 317.352 2.379 10 30 DEEERN C=CCN(CCOC)C(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1 ZINC000361938702 424849286 /nfs/dbraw/zinc/84/92/86/424849286.db2.gz TYEOBUKZUZYQAN-ZDUSSCGKSA-N 0 0 306.410 2.829 10 30 DEEERN C=CCOCCNC(=O)Nc1nnc(-c2ccsc2)s1 ZINC000373122837 424886218 /nfs/dbraw/zinc/88/62/18/424886218.db2.gz LSFJFKDSVSUKEK-UHFFFAOYSA-N 0 0 310.404 2.591 10 30 DEEERN Cc1cc(C#N)nc(NC[C@@H](c2ccccc2)C(C)(C)CO)n1 ZINC000561281026 424890536 /nfs/dbraw/zinc/89/05/36/424890536.db2.gz AGHMSPCADUBIJI-INIZCTEOSA-N 0 0 310.401 2.871 10 30 DEEERN N#Cc1cc(C(=O)Nc2cc([C@H]3CCCO3)[nH]n2)ccc1Cl ZINC000564069576 424901267 /nfs/dbraw/zinc/90/12/67/424901267.db2.gz OODQSTFMPXQDBQ-CYBMUJFWSA-N 0 0 316.748 3.039 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccn(CCC(C)C)n1 ZINC000425654532 424998809 /nfs/dbraw/zinc/99/88/09/424998809.db2.gz MZDNSAQUFGELDC-KBPBESRZSA-N 0 0 306.410 2.642 10 30 DEEERN C=CCOc1ccccc1CNc1nc(-c2nccn2C)no1 ZINC000347820297 425015044 /nfs/dbraw/zinc/01/50/44/425015044.db2.gz XGODYVHNMXADGZ-UHFFFAOYSA-N 0 0 311.345 2.647 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1 ZINC000598547624 425038648 /nfs/dbraw/zinc/03/86/48/425038648.db2.gz VRDJTKSXFFZWNW-LBPRGKRZSA-N 0 0 307.394 2.766 10 30 DEEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000440253174 425040799 /nfs/dbraw/zinc/04/07/99/425040799.db2.gz GRDOVWJOHLEKTM-GFCCVEGCSA-N 0 0 319.405 2.916 10 30 DEEERN C=CC[C@@H](CO)CNc1nc(C)cc(OCc2ccccc2)n1 ZINC000450426768 425073106 /nfs/dbraw/zinc/07/31/06/425073106.db2.gz XXRUWFGDNBQWBQ-MRXNPFEDSA-N 0 0 313.401 2.961 10 30 DEEERN C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1c1ccc(C#N)cc1F ZINC000284460334 267264151 /nfs/dbraw/zinc/26/41/51/267264151.db2.gz CPRCZZIOFQUXLM-UNEWFSDZSA-N 0 0 304.365 2.454 10 30 DEEERN N#Cc1cccc(CN2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)c1F ZINC000408044218 268246933 /nfs/dbraw/zinc/24/69/33/268246933.db2.gz MXTXQYPVKCZUHW-GVDBMIGSSA-N 0 0 318.392 2.449 10 30 DEEERN Cn1nc([C@H]2CCCO2)cc1NC(=O)c1sccc1C#N ZINC000517846548 269393483 /nfs/dbraw/zinc/39/34/83/269393483.db2.gz WGDCKRVOUWCZPL-LLVKDONJSA-N 0 0 302.359 2.457 10 30 DEEERN CC(=O)N1CC[C@H](NC(=O)c2cc(C#N)cn2C)c2ccccc21 ZINC000368442658 275773157 /nfs/dbraw/zinc/77/31/57/275773157.db2.gz PQHMJOHMMGYWMO-HNNXBMFYSA-N 0 0 322.368 2.124 10 30 DEEERN CC1(C)OCC[C@@H]1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000295189636 276156259 /nfs/dbraw/zinc/15/62/59/276156259.db2.gz CXFSSFFJCIOUQL-LBPRGKRZSA-N 0 0 314.794 2.057 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NS(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000416623954 276910084 /nfs/dbraw/zinc/91/00/84/276910084.db2.gz ANZIVKMDBDOMFD-BMFZPTHFSA-N 0 0 309.431 2.271 10 30 DEEERN CN1C[C@H](C(=O)N2CCC(C)(C#N)CC2)c2ccccc2C1=O ZINC000365938451 276983943 /nfs/dbraw/zinc/98/39/43/276983943.db2.gz VVAOVOIVSICXFN-HNNXBMFYSA-N 0 0 311.385 2.008 10 30 DEEERN C#CCC(C)(C)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000184327761 277669764 /nfs/dbraw/zinc/66/97/64/277669764.db2.gz LTWDDYIEAFUCRE-ZDUSSCGKSA-N 0 0 305.399 2.071 10 30 DEEERN C=CC[C@H](C(=O)N1CCO[C@]2(CCOC2)C1)c1ccccc1 ZINC000189143237 277885020 /nfs/dbraw/zinc/88/50/20/277885020.db2.gz OWANRRRYPMYXFZ-FUHWJXTLSA-N 0 0 301.386 2.364 10 30 DEEERN C=CCn1c(C(=O)NC(C)C)nnc1N1CCCCC[C@@H]1C ZINC000350740865 277892723 /nfs/dbraw/zinc/89/27/23/277892723.db2.gz IUVZOMKQZXQDAZ-ZDUSSCGKSA-N 0 0 305.426 2.371 10 30 DEEERN COc1ccccc1/C=N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000005257492 278045762 /nfs/dbraw/zinc/04/57/62/278045762.db2.gz NFIUISIVYPFMFW-RQZCQDPDSA-N 0 0 324.296 2.379 10 30 DEEERN CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)C1 ZINC000329481414 278279062 /nfs/dbraw/zinc/27/90/62/278279062.db2.gz DJLILITVCPALPJ-RQJABVFESA-N 0 0 308.422 2.405 10 30 DEEERN C[C@@H]1CCN(c2cc(C#N)c3ccccc3n2)CCS1(=O)=O ZINC000408375749 278557121 /nfs/dbraw/zinc/55/71/21/278557121.db2.gz LIGADPWNKUUAIP-GFCCVEGCSA-N 0 0 315.398 2.120 10 30 DEEERN O=C(C#Cc1ccc2c(c1)OCO2)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000137434728 279728502 /nfs/dbraw/zinc/72/85/02/279728502.db2.gz XCNWOLIEWYBLQR-OAHLLOKOSA-N 0 0 323.352 2.244 10 30 DEEERN O=C(C#Cc1ccc2c(c1)OCO2)N[C@@H]1CCOc2ccccc21 ZINC000178224385 279729006 /nfs/dbraw/zinc/72/90/06/279729006.db2.gz NHILKEWWULXWFK-OAHLLOKOSA-N 0 0 321.332 2.407 10 30 DEEERN Cc1ccc2ncc(C#N)c(N3CC[C@H]4[C@@H](C3)NC(=O)N4C)c2c1 ZINC000291938913 281164809 /nfs/dbraw/zinc/16/48/09/281164809.db2.gz MRIAWLXTDGOUBH-CVEARBPZSA-N 0 0 321.384 2.017 10 30 DEEERN C[C@H](COc1ccc(F)cc1F)NC(=O)c1cc(C#N)cn1C ZINC000081051044 281602417 /nfs/dbraw/zinc/60/24/17/281602417.db2.gz WNUOCSSGUNBXRS-SNVBAGLBSA-N 0 0 319.311 2.372 10 30 DEEERN N#Cc1ccnc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c1 ZINC000348254893 294975247 /nfs/dbraw/zinc/97/52/47/294975247.db2.gz GFXWSIUTJJNUEU-GDBMZVCRSA-N 0 0 311.316 2.040 10 30 DEEERN N#CC1(C(=O)N2CCc3[nH]c4ccccc4c3C2)CCOCC1 ZINC000171762387 303140474 /nfs/dbraw/zinc/14/04/74/303140474.db2.gz JFRKHMYKQVFJDN-UHFFFAOYSA-N 0 0 309.369 2.373 10 30 DEEERN N#CCSCC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000174847627 303156412 /nfs/dbraw/zinc/15/64/12/303156412.db2.gz IOSDCPIECXNPCC-HUUCEWRRSA-N 0 0 304.415 2.358 10 30 DEEERN N#CC[C@@H]1CC[C@H](NC(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)C1 ZINC000333197454 303156875 /nfs/dbraw/zinc/15/68/75/303156875.db2.gz PXHASIZDXRESTB-FAYQHZLMSA-N 0 0 303.406 2.422 10 30 DEEERN O=C(N[C@H]1CCCC12CCOCC2)N1CC2(C1)CCCOC2 ZINC000329477899 303513781 /nfs/dbraw/zinc/51/37/81/303513781.db2.gz CBHODYSRQVWUNH-AWEZNQCLSA-N 0 0 308.422 2.362 10 30 DEEERN C=C(C)CN(CC)C(=O)COc1cnn(C)c1C(F)(F)F ZINC000576650167 331828828 /nfs/dbraw/zinc/82/88/28/331828828.db2.gz YZHYUELCZXZBBE-UHFFFAOYSA-N 0 0 305.300 2.242 10 30 DEEERN N#Cc1ccc(OCCNC(=O)NC2Cc3ccccc3C2)cc1 ZINC000186584492 332935979 /nfs/dbraw/zinc/93/59/79/332935979.db2.gz KADOZEBWLYORCD-UHFFFAOYSA-N 0 0 321.380 2.404 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CCC[C@@H]1C(C)C ZINC000518317640 332012514 /nfs/dbraw/zinc/01/25/14/332012514.db2.gz JLZARDURRMSHAG-CYBMUJFWSA-N 0 0 315.425 2.193 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(OC)cc1Br ZINC000518475050 332061699 /nfs/dbraw/zinc/06/16/99/332061699.db2.gz HMGNLAXNALMSHH-VIFPVBQESA-N 0 0 314.179 2.125 10 30 DEEERN CC(C)(C)C(=O)NCc1ccc(C(=O)N[C@H](C#N)C2CC2)cc1 ZINC000119732200 332280716 /nfs/dbraw/zinc/28/07/16/332280716.db2.gz YXAIZEQVBOENQY-OAHLLOKOSA-N 0 0 313.401 2.381 10 30 DEEERN C=CCN(C)c1nnc(-c2nnn(C)c2C)n1Cc1ccccc1 ZINC000560347450 332332838 /nfs/dbraw/zinc/33/28/38/332332838.db2.gz WSORTRPLCZNLKP-UHFFFAOYSA-N 0 0 323.404 2.053 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1OCC ZINC000583391692 332383249 /nfs/dbraw/zinc/38/32/49/332383249.db2.gz CVXPDNMDGMJZLQ-HUUCEWRRSA-N 0 0 310.438 2.313 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000561005792 332400517 /nfs/dbraw/zinc/40/05/17/332400517.db2.gz IFNBTEJDPJSNFB-UHFFFAOYSA-N 0 0 314.389 2.478 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c(C)onc1-c1ccccn1 ZINC000570325354 332740814 /nfs/dbraw/zinc/74/08/14/332740814.db2.gz TVSXAKKTGQQPLD-JSGCOSHPSA-N 0 0 313.357 2.366 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCC1(c2ccccc2OC)CCC1 ZINC000185202399 335118893 /nfs/dbraw/zinc/11/88/93/335118893.db2.gz ZYAJAQIDLVYWPZ-AWEZNQCLSA-N 0 0 318.417 2.353 10 30 DEEERN C[C@H](Sc1ccc(C(F)(F)F)nn1)C(=O)N(C)CCC#N ZINC000186931263 333225052 /nfs/dbraw/zinc/22/50/52/333225052.db2.gz LHIFGFWUTJUGDC-QMMMGPOBSA-N 0 0 318.324 2.348 10 30 DEEERN C=CCOCCNC(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 ZINC000365016328 333334426 /nfs/dbraw/zinc/33/44/26/333334426.db2.gz LYHYVIKAPNMCHY-UHFFFAOYSA-N 0 0 301.350 2.104 10 30 DEEERN C=CCn1c(-c2scnc2C)nnc1N1CC[C@@H](COC)C1 ZINC000563124606 333394500 /nfs/dbraw/zinc/39/45/00/333394500.db2.gz GZXCTYQUAQDJAB-GFCCVEGCSA-N 0 0 319.434 2.369 10 30 DEEERN C#C[C@@H](C)NS(=O)(=O)c1cc(OC)cc(C(F)(F)F)c1 ZINC000296380852 335144055 /nfs/dbraw/zinc/14/40/55/335144055.db2.gz TTXLJVJKLGDCRD-MRVPVSSYSA-N 0 0 307.293 2.014 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)NCc1ccc2ccccc2n1 ZINC000340042462 333787074 /nfs/dbraw/zinc/78/70/74/333787074.db2.gz DLEKTNQMQKBNFJ-UHFFFAOYSA-N 0 0 311.385 2.276 10 30 DEEERN C=CCCCS(=O)(=O)N[C@H](c1ccccc1F)[C@@H](C)O ZINC000519823000 335898154 /nfs/dbraw/zinc/89/81/54/335898154.db2.gz JCFYSIZPIXNYEW-RISCZKNCSA-N 0 0 301.383 2.133 10 30 DEEERN C=CCN(C(=O)[C@@H]1CCO[C@H]1C)c1nc(C(=O)OCC)cs1 ZINC000356017806 336532448 /nfs/dbraw/zinc/53/24/48/336532448.db2.gz VVDHFOOBMIRUFG-WDEREUQCSA-N 0 0 324.402 2.264 10 30 DEEERN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000170825571 337083009 /nfs/dbraw/zinc/08/30/09/337083009.db2.gz RCPSMWUADZPYQX-RISCZKNCSA-N 0 0 323.418 2.023 10 30 DEEERN C=CCCCCCNC(=O)c1cccnc1N1CCOCC1 ZINC000582793562 337170596 /nfs/dbraw/zinc/17/05/96/337170596.db2.gz HCWHPTAGEWZFCG-UHFFFAOYSA-N 0 0 303.406 2.394 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NCCc1ccc2ccccc2n1 ZINC000582828240 337206266 /nfs/dbraw/zinc/20/62/66/337206266.db2.gz AWEBBBQDDHUBFM-SJORKVTESA-N 0 0 311.385 2.420 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)Cn1cnc2c1CCCC2 ZINC000537583325 337943784 /nfs/dbraw/zinc/94/37/84/337943784.db2.gz ODXQYWJKVBYMGM-UHFFFAOYSA-N 0 0 301.312 2.339 10 30 DEEERN COCc1csc(NC(=O)Nc2ccn(CCC#N)n2)n1 ZINC000191468936 340554588 /nfs/dbraw/zinc/55/45/88/340554588.db2.gz SMIAFBZHQQJZDH-UHFFFAOYSA-N 0 0 306.351 2.044 10 30 DEEERN CC[C@@H](CC#N)NC(=O)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000128508434 340891462 /nfs/dbraw/zinc/89/14/62/340891462.db2.gz ZDLMVGNNPKUVIQ-AAEUAGOBSA-N 0 0 303.362 2.141 10 30 DEEERN Cc1cccc(N(CCC#N)S(=O)(=O)N2CCC[C@H]2C)c1 ZINC000547434373 341213145 /nfs/dbraw/zinc/21/31/45/341213145.db2.gz XBXCSZAROPCYDO-CQSZACIVSA-N 0 0 307.419 2.444 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000548838574 341277476 /nfs/dbraw/zinc/27/74/76/341277476.db2.gz BLSJPVRSFIGYGC-WMLDXEAASA-N 0 0 318.421 2.116 10 30 DEEERN C=CCn1c(CC)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000548856557 341278294 /nfs/dbraw/zinc/27/82/94/341278294.db2.gz PXDHXPCJFGPATN-ZDUSSCGKSA-N 0 0 319.453 2.158 10 30 DEEERN C=CCn1c(-c2ncccc2C)nnc1N1CCO[C@H](CC)C1 ZINC000548956776 341282274 /nfs/dbraw/zinc/28/22/74/341282274.db2.gz FWEPMKWYWXSNIG-CQSZACIVSA-N 0 0 313.405 2.450 10 30 DEEERN CCc1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCOC1 ZINC000549649425 341299900 /nfs/dbraw/zinc/29/99/00/341299900.db2.gz GHZTZOAYGPLRAW-ZDUSSCGKSA-N 0 0 303.410 2.007 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CC[C@H](C(C)C)C1 ZINC000549677296 341300428 /nfs/dbraw/zinc/30/04/28/341300428.db2.gz UOFQDICLGBFPOM-LSDHHAIUSA-N 0 0 320.437 2.424 10 30 DEEERN CC1CC(C#N)(C(=O)N2CCO[C@H](COc3ccccc3)C2)C1 ZINC000564389826 341382836 /nfs/dbraw/zinc/38/28/36/341382836.db2.gz ZSFLGXXBSAARIZ-HQVVEAJESA-N 0 0 314.385 2.233 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000564638548 341505790 /nfs/dbraw/zinc/50/57/90/341505790.db2.gz KLQKPFKNUPHALC-MTSZKFMLSA-N 0 0 322.449 2.445 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000565641322 341533692 /nfs/dbraw/zinc/53/36/92/341533692.db2.gz WNLKNSDOGPTJTA-UHTWSYAYSA-N 0 0 304.346 2.119 10 30 DEEERN C=CCCCCCNC(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000566433384 341558007 /nfs/dbraw/zinc/55/80/07/341558007.db2.gz DHVFPDLGAPXBLL-UHFFFAOYSA-N 0 0 307.438 2.387 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000566565272 341561957 /nfs/dbraw/zinc/56/19/57/341561957.db2.gz GENIYZOTZPOHFI-ZFWWWQNUSA-N 0 0 305.422 2.342 10 30 DEEERN C=CCCCCCNC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000566570779 341562119 /nfs/dbraw/zinc/56/21/19/341562119.db2.gz UCJQBKHLJQOPIU-KGLIPLIRSA-N 0 0 316.467 2.388 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)C1(CC(=O)OC(C)(C)C)CCC1 ZINC000580553362 341875985 /nfs/dbraw/zinc/87/59/85/341875985.db2.gz CQPPACHQNURAQR-OLZOCXBDSA-N 0 0 309.406 2.348 10 30 DEEERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1nn(C)cc1C#N ZINC000610821425 483937494 /nfs/dbraw/zinc/93/74/94/483937494.db2.gz YXZGZUITQGCKRR-LLVKDONJSA-N 0 0 313.361 2.092 10 30 DEEERN C[C@@]12CCN(C(=O)C(=O)Nc3cccc(C#N)c3)C[C@@H]1C2(F)F ZINC000295014350 534276442 /nfs/dbraw/zinc/27/64/42/534276442.db2.gz NAAURPXPRHDYHY-SWLSCSKDSA-N 0 0 319.311 2.000 10 30 DEEERN COC(=O)c1coc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1 ZINC000183979783 534314170 /nfs/dbraw/zinc/31/41/70/534314170.db2.gz LLVKDVNFLPUYCR-SFHVURJKSA-N 0 0 324.336 2.247 10 30 DEEERN Cc1nc(C[C@@H]2CCCN(C(=O)NCCCCC#N)C2)no1 ZINC000171448246 534407382 /nfs/dbraw/zinc/40/73/82/534407382.db2.gz AASCIDFAMHWXBP-ZDUSSCGKSA-N 0 0 305.382 2.036 10 30 DEEERN Cc1nc(Cl)ccc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000366122711 534430633 /nfs/dbraw/zinc/43/06/33/534430633.db2.gz BWWGDULMFIRARS-GFCCVEGCSA-N 0 0 319.796 2.248 10 30 DEEERN CC(C)Oc1ccc(NC(=O)N[C@@H](C)[C@@H](C)CO)cc1C#N ZINC000157879975 519780761 /nfs/dbraw/zinc/78/07/61/519780761.db2.gz VDNDXNHAUNETBR-RYUDHWBXSA-N 0 0 305.378 2.484 10 30 DEEERN Cc1noc([C@@H]2CCCN2C(=O)NCCC2CCOCC2)n1 ZINC000329280895 534450330 /nfs/dbraw/zinc/45/03/30/534450330.db2.gz NBBRHSQYACVZQF-ZDUSSCGKSA-N 0 0 308.382 2.246 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)Cc1cc(C)cc(C)c1 ZINC000451891933 534575210 /nfs/dbraw/zinc/57/52/10/534575210.db2.gz AOAMIVPSXBJMBO-CVEARBPZSA-N 0 0 309.431 2.456 10 30 DEEERN C=CCCCNC(=O)Nc1ccc(OC)cc1S(C)(=O)=O ZINC000455935190 534729710 /nfs/dbraw/zinc/72/97/10/534729710.db2.gz BDHUNGFMNOCPND-UHFFFAOYSA-N 0 0 312.391 2.186 10 30 DEEERN O=C(NCCOC1CCCCC1)N1CCc2cncnc2C1 ZINC000329270659 534752700 /nfs/dbraw/zinc/75/27/00/534752700.db2.gz HPJPIKTURGHSOE-UHFFFAOYSA-N 0 0 304.394 2.098 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cn1ccc(C)n1 ZINC000448819468 526348471 /nfs/dbraw/zinc/34/84/71/526348471.db2.gz VYHIEUVVYVNGCJ-UHFFFAOYSA-N 0 0 314.345 2.315 10 30 DEEERN C=CCN(Cc1cccs1)S(=O)(=O)c1cncn1CC ZINC000360498686 526376575 /nfs/dbraw/zinc/37/65/75/526376575.db2.gz CAOSSECVHCGFED-UHFFFAOYSA-N 0 0 311.432 2.341 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)c2cnn([C@@H](C)CC)c2C)C1=O ZINC000337048899 526466828 /nfs/dbraw/zinc/46/68/28/526466828.db2.gz HXHPYHRZYMDIIF-SWLSCSKDSA-N 0 0 318.421 2.021 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)Nc1cc(-n2cccn2)ccc1C ZINC000187973922 526481106 /nfs/dbraw/zinc/48/11/06/526481106.db2.gz JXRBPSGYWLPWRD-UHFFFAOYSA-N 0 0 312.373 2.154 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)c2cnn([C@@H](C)CC)c2C)C1=O ZINC000337048900 526498138 /nfs/dbraw/zinc/49/81/38/526498138.db2.gz HXHPYHRZYMDIIF-WFASDCNBSA-N 0 0 318.421 2.021 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N[C@H](C)c1ccccc1OC ZINC000284580290 526514759 /nfs/dbraw/zinc/51/47/59/526514759.db2.gz WMUMVUVEOAAUOJ-CYBMUJFWSA-N 0 0 304.390 2.297 10 30 DEEERN CC(=O)N1CCC(NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)CC1 ZINC000329733955 526524655 /nfs/dbraw/zinc/52/46/55/526524655.db2.gz RCDCHNIQPYDRNM-HNNXBMFYSA-N 0 0 305.422 2.176 10 30 DEEERN N#Cc1cc(CN2CCN(c3ncccc3C#N)CC2)ccc1F ZINC000160609250 526549924 /nfs/dbraw/zinc/54/99/24/526549924.db2.gz HRPFLLBYJMFTQH-UHFFFAOYSA-N 0 0 321.359 2.286 10 30 DEEERN C=CCNC(=O)c1ccc(N2CCC[C@@H](c3ccncn3)C2)nc1 ZINC000369025901 526641725 /nfs/dbraw/zinc/64/17/25/526641725.db2.gz GBMIROQKTXYLLU-OAHLLOKOSA-N 0 0 323.400 2.171 10 30 DEEERN C#CCCCC(=O)NC[C@H](Cc1ccccc1)C(=O)OCC ZINC000191983079 526681793 /nfs/dbraw/zinc/68/17/93/526681793.db2.gz ITSXUHJQAPFXAL-INIZCTEOSA-N 0 0 301.386 2.328 10 30 DEEERN C=CCNc1nnc(SCC(=O)Nc2ccncc2)s1 ZINC000119883650 526683230 /nfs/dbraw/zinc/68/32/30/526683230.db2.gz MFPRQQNOHMLEAG-UHFFFAOYSA-N 0 0 307.404 2.262 10 30 DEEERN C#CCCCS(=O)(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000377291202 526720185 /nfs/dbraw/zinc/72/01/85/526720185.db2.gz ZMYZKEYMDSXUJI-HZPDHXFCSA-N 0 0 307.415 2.240 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N1CC[C@@](O)(C(F)(F)F)C1 ZINC000338828803 526722651 /nfs/dbraw/zinc/72/26/51/526722651.db2.gz MUBWMXAHPGNRHG-ZDUSSCGKSA-N 0 0 318.343 2.481 10 30 DEEERN C=C(C)Cn1c(CC2CC2)nnc1N1CCO[C@H](C2CC2)C1 ZINC000338866556 526728263 /nfs/dbraw/zinc/72/82/63/526728263.db2.gz SNERSXBVLWSLSK-HNNXBMFYSA-N 0 0 302.422 2.422 10 30 DEEERN C=C(C)Cn1c(COCC)nnc1N1CCO[C@@H](C2CC2)C1 ZINC000338806183 526731638 /nfs/dbraw/zinc/73/16/38/526731638.db2.gz WDGQTZPUCZNZSC-CQSZACIVSA-N 0 0 306.410 2.006 10 30 DEEERN C#CCCNC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000369427806 526736188 /nfs/dbraw/zinc/73/61/88/526736188.db2.gz RUEMXSRFKSCBAE-LBPRGKRZSA-N 0 0 323.343 2.189 10 30 DEEERN C#CCCNC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000370450624 526736534 /nfs/dbraw/zinc/73/65/34/526736534.db2.gz OJXVGGYXRJXXOG-SNVBAGLBSA-N 0 0 311.307 2.048 10 30 DEEERN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC000338859264 526738139 /nfs/dbraw/zinc/73/81/39/526738139.db2.gz JLUSNSWDUDAEHU-UKRRQHHQSA-N 0 0 319.453 2.473 10 30 DEEERN C#CCCOc1ccc(C(=O)N[C@@H](CC)[C@@H](O)C(F)F)cc1 ZINC000295581046 526741441 /nfs/dbraw/zinc/74/14/41/526741441.db2.gz WNHLRCZXABLTRY-UONOGXRCSA-N 0 0 311.328 2.223 10 30 DEEERN C=CCOCCNC(=O)N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000371652996 526777500 /nfs/dbraw/zinc/77/75/00/526777500.db2.gz ZYGIRHXADLPNJV-HNNXBMFYSA-N 0 0 304.390 2.397 10 30 DEEERN C=CCOCCSc1nc2ccccc2c(=O)n1CCCO ZINC000338507726 526784073 /nfs/dbraw/zinc/78/40/73/526784073.db2.gz DFQYJAKPSNJZOR-UHFFFAOYSA-N 0 0 320.414 2.074 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000437526205 526800385 /nfs/dbraw/zinc/80/03/85/526800385.db2.gz KNORBBHOPBIBMG-FZMZJTMJSA-N 0 0 305.334 2.009 10 30 DEEERN C=C(CNC(=O)N1CCC[C@H](C(=O)OC)C1)c1ccccc1 ZINC000287970974 526867828 /nfs/dbraw/zinc/86/78/28/526867828.db2.gz IWVQPJRJMJWWQJ-HNNXBMFYSA-N 0 0 302.374 2.294 10 30 DEEERN C=C1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CC1 ZINC000369109146 526898306 /nfs/dbraw/zinc/89/83/06/526898306.db2.gz RAHLOAVIQCAMPU-OAHLLOKOSA-N 0 0 314.385 2.175 10 30 DEEERN C=C1CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)CC1 ZINC000342095066 526899114 /nfs/dbraw/zinc/89/91/14/526899114.db2.gz PBCHRICXXGXVGM-UHFFFAOYSA-N 0 0 303.753 2.108 10 30 DEEERN C=CCSCCNC(=O)C(=O)Nc1nc(C(C)C)cs1 ZINC000192987786 526984299 /nfs/dbraw/zinc/98/42/99/526984299.db2.gz SGSUPZDIMLDPQI-UHFFFAOYSA-N 0 0 313.448 2.240 10 30 DEEERN C=CCC(C)(C)CNC(=O)c1cnc2c(cnn2C)c1OC ZINC000352520576 527017477 /nfs/dbraw/zinc/01/74/77/527017477.db2.gz ZWDMCJHMUVKJFD-UHFFFAOYSA-N 0 0 302.378 2.309 10 30 DEEERN C=CCC(F)(F)c1nc(-c2ccnc(S(C)(=O)=O)c2)no1 ZINC000293053954 527037658 /nfs/dbraw/zinc/03/76/58/527037658.db2.gz BHFLMRJJIVKEHV-UHFFFAOYSA-N 0 0 315.301 2.203 10 30 DEEERN C=CCC1(C(=O)N2CCSC[C@@H](C(=O)OC)C2)CCCC1 ZINC000412973735 527045787 /nfs/dbraw/zinc/04/57/87/527045787.db2.gz WMLZRXFWSYTEDC-ZDUSSCGKSA-N 0 0 311.447 2.488 10 30 DEEERN C=CCC1(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)CCC1 ZINC000374766023 527053665 /nfs/dbraw/zinc/05/36/65/527053665.db2.gz URVDQFWFDGIPNP-LSDHHAIUSA-N 0 0 307.434 2.417 10 30 DEEERN C=CCC1(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)CCC1 ZINC000374766019 527055159 /nfs/dbraw/zinc/05/51/59/527055159.db2.gz URVDQFWFDGIPNP-CABCVRRESA-N 0 0 307.434 2.417 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CCC1 ZINC000190188927 527058077 /nfs/dbraw/zinc/05/80/77/527058077.db2.gz BPAJESVBKFHXLO-OAHLLOKOSA-N 0 0 313.401 2.440 10 30 DEEERN C=CCC1(C(=O)N[C@@H](CO)Cc2ccc(C)cc2)CCOCC1 ZINC000424790162 527058221 /nfs/dbraw/zinc/05/82/21/527058221.db2.gz IXPVFVFARHFAMX-QGZVFWFLSA-N 0 0 317.429 2.388 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000341850083 527064994 /nfs/dbraw/zinc/06/49/94/527064994.db2.gz WXUAQPYKSIVZPW-NWDGAFQWSA-N 0 0 310.369 2.379 10 30 DEEERN C#CCO[C@H](C)C(=O)O[C@H]1CCc2cc(Br)cnc21 ZINC000295914861 527085206 /nfs/dbraw/zinc/08/52/06/527085206.db2.gz AVOYRPCEDIDLHC-SKDRFNHKSA-N 0 0 324.174 2.413 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NC[C@@H](CC)Oc1ccccc1C ZINC000183660708 527089461 /nfs/dbraw/zinc/08/94/61/527089461.db2.gz DBLCNLHRHPMDRY-LSDHHAIUSA-N 0 0 306.406 2.389 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ncc(C2CCOCC2)s1 ZINC000296922441 527096689 /nfs/dbraw/zinc/09/66/89/527096689.db2.gz BWVHVUUHTMFZIW-NSHDSACASA-N 0 0 311.407 2.096 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N1CC2(C1)CCOCC2 ZINC000366591075 527111685 /nfs/dbraw/zinc/11/16/85/527111685.db2.gz JXQUCEBNQOYEGW-UHFFFAOYSA-N 0 0 318.348 2.482 10 30 DEEERN C=CC[C@H](C(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000189903057 527120752 /nfs/dbraw/zinc/12/07/52/527120752.db2.gz YWTDOIKULLGCNP-ROUUACIJSA-N 0 0 314.429 2.279 10 30 DEEERN C#CCOc1cccc(NC(=O)C[C@H]2CCOC[C@@H]2OC)c1 ZINC000294459065 527121027 /nfs/dbraw/zinc/12/10/27/527121027.db2.gz CDVYYSJGUCSMHL-CJNGLKHVSA-N 0 0 303.358 2.079 10 30 DEEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000374127513 527143623 /nfs/dbraw/zinc/14/36/23/527143623.db2.gz BMOYGWJFHIACKZ-ZDUSSCGKSA-N 0 0 302.374 2.421 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(CC)[C@@H](C)c1cccnc1 ZINC000297613648 527173251 /nfs/dbraw/zinc/17/32/51/527173251.db2.gz CDPZXPJWWZOLJJ-AWEZNQCLSA-N 0 0 303.406 2.416 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000341661808 527174993 /nfs/dbraw/zinc/17/49/93/527174993.db2.gz UKCKDXUXRFJXQK-STQMWFEESA-N 0 0 322.405 2.249 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000341424016 527178466 /nfs/dbraw/zinc/17/84/66/527178466.db2.gz NMXCTKDVKPBBAO-OAHLLOKOSA-N 0 0 301.390 2.074 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000346783627 527178509 /nfs/dbraw/zinc/17/85/09/527178509.db2.gz QWCWKYJHMCDNLJ-UONOGXRCSA-N 0 0 310.438 2.119 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192993436 527180456 /nfs/dbraw/zinc/18/04/56/527180456.db2.gz YFOSHKNIINVUMS-UHFFFAOYSA-N 0 0 316.405 2.478 10 30 DEEERN C=CCCCN(C)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000077442852 527186699 /nfs/dbraw/zinc/18/66/99/527186699.db2.gz CGNJBCXTZDHRNK-UHFFFAOYSA-N 0 0 304.329 2.231 10 30 DEEERN C=CC[C@H](CO)NC(=O)C1(c2ccc(OC)c(OC)c2)CCC1 ZINC000337033938 527193139 /nfs/dbraw/zinc/19/31/39/527193139.db2.gz HKCDGDXLPLTJOY-CQSZACIVSA-N 0 0 319.401 2.179 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000248643704 527200605 /nfs/dbraw/zinc/20/06/05/527200605.db2.gz RVAHEHJUXKXXKG-RBSFLKMASA-N 0 0 310.438 2.351 10 30 DEEERN C=CCCCNC(=O)C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000359628868 527206084 /nfs/dbraw/zinc/20/60/84/527206084.db2.gz VDKBUZNNCWDAOT-HNNXBMFYSA-N 0 0 318.442 2.216 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC000377225505 527208473 /nfs/dbraw/zinc/20/84/73/527208473.db2.gz CEENDKRDNFIITR-CYBMUJFWSA-N 0 0 317.776 2.464 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@@H]1CCO[C@@H](C(CC)CC)C1 ZINC000361121977 527208558 /nfs/dbraw/zinc/20/85/58/527208558.db2.gz XIOXOHYTFCNJKU-HUUCEWRRSA-N 0 0 310.438 2.169 10 30 DEEERN C=CC[C@H](CO)Nc1ccc2nnc(-c3ccsc3)n2n1 ZINC000302475516 527212283 /nfs/dbraw/zinc/21/22/83/527212283.db2.gz QPZWCORHMQWSLH-LLVKDONJSA-N 0 0 301.375 2.202 10 30 DEEERN C=CCCCNC(=O)N(C)C1CCN(c2cnccn2)CC1 ZINC000448386081 527215887 /nfs/dbraw/zinc/21/58/87/527215887.db2.gz IDUYUWBAVVZXRY-UHFFFAOYSA-N 0 0 303.410 2.053 10 30 DEEERN C=CCc1cc(C(=O)N2CC[C@]23CCOC3)cc(OC)c1OC ZINC000422080263 527232301 /nfs/dbraw/zinc/23/23/01/527232301.db2.gz FWDOSHRNJOXPOK-GOSISDBHSA-N 0 0 317.385 2.437 10 30 DEEERN C=CCCCNS(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000447930141 527234768 /nfs/dbraw/zinc/23/47/68/527234768.db2.gz KWCUTZHNINYIGM-UHFFFAOYSA-N 0 0 317.794 2.371 10 30 DEEERN C=CCCCS(=O)(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000292634244 527240157 /nfs/dbraw/zinc/24/01/57/527240157.db2.gz PGHJIGQNHWGOOG-CYBMUJFWSA-N 0 0 301.433 2.417 10 30 DEEERN C=CCCN(C)C(=O)C(=O)N(C)Cc1ccc(F)cc1Cl ZINC000410525173 527297939 /nfs/dbraw/zinc/29/79/39/527297939.db2.gz MWEYGQHDPDAWHU-UHFFFAOYSA-N 0 0 312.772 2.472 10 30 DEEERN C=CCn1c(Cc2ccccn2)nnc1N(C)CCCCOC ZINC000417451907 527326847 /nfs/dbraw/zinc/32/68/47/527326847.db2.gz KQQDZPLWYMUFHY-UHFFFAOYSA-N 0 0 315.421 2.313 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@H](C)CC1 ZINC000289689741 527352533 /nfs/dbraw/zinc/35/25/33/527352533.db2.gz NTJKJFRRINEOOM-KBPBESRZSA-N 0 0 306.410 2.178 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CC[C@H](O)CC(C)(C)C2)cc1 ZINC000297473746 527435820 /nfs/dbraw/zinc/43/58/20/527435820.db2.gz DGOXPNSTBOLKKY-INIZCTEOSA-N 0 0 300.402 2.360 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@@]2(C)CCCC[C@H]2O)cc1 ZINC000297556263 527437612 /nfs/dbraw/zinc/43/76/12/527437612.db2.gz KDAVQYBAGPOQSN-SJLPKXTDSA-N 0 0 300.402 2.408 10 30 DEEERN C#Cc1cccc(NC(=O)[C@H]2CCc3nnc(C4CC4)n3C2)c1 ZINC000368347274 527459582 /nfs/dbraw/zinc/45/95/82/527459582.db2.gz HNYLEVAQOHEEIM-AWEZNQCLSA-N 0 0 306.369 2.338 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000333231179 527471026 /nfs/dbraw/zinc/47/10/26/527471026.db2.gz YDBJKGGFIUAFSN-AIANPOQGSA-N 0 0 308.422 2.057 10 30 DEEERN C=CCCc1ccccc1NC(=O)N1CC(C(=O)NCC)C1 ZINC000337591162 527505640 /nfs/dbraw/zinc/50/56/40/527505640.db2.gz HPSNGQIMVPGXHW-UHFFFAOYSA-N 0 0 301.390 2.405 10 30 DEEERN C=CCN(C)C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000154365869 527563558 /nfs/dbraw/zinc/56/35/58/527563558.db2.gz AOLGXCJSVQTNCU-CQSZACIVSA-N 0 0 303.406 2.349 10 30 DEEERN C=C[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000362585516 527567444 /nfs/dbraw/zinc/56/74/44/527567444.db2.gz CVPSLLHVTYNFEV-RYUDHWBXSA-N 0 0 304.415 2.452 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000371998790 527603887 /nfs/dbraw/zinc/60/38/87/527603887.db2.gz NKBHMPBJKQSILR-UHFFFAOYSA-N 0 0 300.358 2.151 10 30 DEEERN C=CCN(CC=C)C(=O)N[C@@H](CC(=O)NC)c1ccccc1 ZINC000431098231 527621996 /nfs/dbraw/zinc/62/19/96/527621996.db2.gz GEXYMIZICDBSIA-HNNXBMFYSA-N 0 0 301.390 2.247 10 30 DEEERN C=CCN(CCC#N)C(=O)C(=O)Nc1nc(C(C)C)cs1 ZINC000340623409 527652979 /nfs/dbraw/zinc/65/29/79/527652979.db2.gz FFEZIDWKWCQCRD-UHFFFAOYSA-N 0 0 306.391 2.133 10 30 DEEERN CC(C)C[C@@H](C)OCCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000372695337 528275430 /nfs/dbraw/zinc/27/54/30/528275430.db2.gz WYSYLDHFOBFJNU-GDBMZVCRSA-N 0 0 307.438 2.026 10 30 DEEERN CC(C)C[C@](C)(C#N)NC(=O)c1cnnn1-c1cccc(F)c1 ZINC000448178383 528611592 /nfs/dbraw/zinc/61/15/92/528611592.db2.gz KDCSYBCLHRHQRF-MRXNPFEDSA-N 0 0 315.352 2.465 10 30 DEEERN CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000377121175 528709551 /nfs/dbraw/zinc/70/95/51/528709551.db2.gz SZBHBLSESRAVMA-KFWWJZLASA-N 0 0 313.467 2.225 10 30 DEEERN CCC(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000329408507 528761709 /nfs/dbraw/zinc/76/17/09/528761709.db2.gz CMVOCEZGXGIQTP-QWHCGFSZSA-N 0 0 309.410 2.491 10 30 DEEERN CCOCCOCCN(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000188425020 528798776 /nfs/dbraw/zinc/79/87/76/528798776.db2.gz CWGXLDCFWZBTRF-UHFFFAOYSA-N 0 0 316.401 2.367 10 30 DEEERN CCCn1nc(C)c(CN2CCN(C3CC3)[C@H](C#N)C2)c1C ZINC000371325396 528875048 /nfs/dbraw/zinc/87/50/48/528875048.db2.gz DNMFLMVJEHQWPR-MRXNPFEDSA-N 0 0 301.438 2.082 10 30 DEEERN CCC1(CC)CN(C(=O)c2cccc(F)c2C#N)CC[S@]1=O ZINC000188266449 529077713 /nfs/dbraw/zinc/07/77/13/529077713.db2.gz AWCMRWPDLQWUIW-QFIPXVFZSA-N 0 0 322.405 2.461 10 30 DEEERN CCOCc1nc([C@H](C)NC(=O)N2CCC(C)(C#N)CC2)no1 ZINC000360435132 529078217 /nfs/dbraw/zinc/07/82/17/529078217.db2.gz BXZAIQRKBRINKW-NSHDSACASA-N 0 0 321.381 2.002 10 30 DEEERN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccc(C#N)n2C)C1 ZINC000450658492 535302266 /nfs/dbraw/zinc/30/22/66/535302266.db2.gz NMKKOBHJDWLDIM-ZDUSSCGKSA-N 0 0 317.389 2.091 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc(C#N)cs1 ZINC000248808155 536557762 /nfs/dbraw/zinc/55/77/62/536557762.db2.gz HDKUKYSDNQGXCF-GVXVVHGQSA-N 0 0 304.371 2.033 10 30 DEEERN COC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccnc(C#N)c1 ZINC000194321119 536644921 /nfs/dbraw/zinc/64/49/21/536644921.db2.gz PLGXDMJZARCAPX-QGZVFWFLSA-N 0 0 309.369 2.283 10 30 DEEERN COc1ccc([C@@H](CO)CNC(=O)c2sccc2C#N)cc1 ZINC000458241374 536887434 /nfs/dbraw/zinc/88/74/34/536887434.db2.gz KQKLZQPXBIVJLW-CYBMUJFWSA-N 0 0 316.382 2.134 10 30 DEEERN N#Cc1cnccc1NCc1cccc(Br)c1O ZINC000804654410 622569653 /nfs/dbraw/zinc/56/96/53/622569653.db2.gz PRJKBZKTMIOAGX-UHFFFAOYSA-N 0 0 304.147 2.455 10 30 DEEERN C=C[C@@](C)(CCOC)COC(=O)c1ccc(N2CCCC2)nn1 ZINC000187520116 622813471 /nfs/dbraw/zinc/81/34/71/622813471.db2.gz LCNAWFWYYYCSFB-KRWDZBQOSA-N 0 0 319.405 2.462 10 30 DEEERN C#C[C@@H](C)OC(=O)/C=C\c1ccc(I)o1 ZINC000255682443 625621852 /nfs/dbraw/zinc/62/18/52/625621852.db2.gz FIHFEVDCVLZJNX-GRKOMRHMSA-N 0 0 316.094 2.462 10 30 DEEERN N#Cc1ccccc1/C=C\C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000255366294 624195797 /nfs/dbraw/zinc/19/57/97/624195797.db2.gz JOBLLMRHENTGSH-ZPIQOJFGSA-N 0 0 321.384 2.102 10 30 DEEERN C#CC[C@@H](OC(=O)C1CCN(c2cnccn2)CC1)C(C)C ZINC000177719322 625068445 /nfs/dbraw/zinc/06/84/45/625068445.db2.gz LMFXOCDAVFIIFD-OAHLLOKOSA-N 0 0 301.390 2.284 10 30 DEEERN COC(=O)c1cncc(NC(=O)/C=C\c2ccccc2C#N)c1 ZINC000255900885 625192000 /nfs/dbraw/zinc/19/20/00/625192000.db2.gz FZMKELKYGVXRKR-SREVYHEPSA-N 0 0 307.309 2.392 10 30 DEEERN CC(C)(CCC#N)COC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000195074702 625771096 /nfs/dbraw/zinc/77/10/96/625771096.db2.gz DAMWBXOPFHGPNP-JTQLQIEISA-N 0 0 320.311 2.270 10 30 DEEERN C#CCOc1ccccc1OC(=O)CCOC1CCOCC1 ZINC000177241908 625889685 /nfs/dbraw/zinc/88/96/85/625889685.db2.gz YANRJBAMRZKFBS-UHFFFAOYSA-N 0 0 304.342 2.190 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000733673094 633263289 /nfs/dbraw/zinc/26/32/89/633263289.db2.gz PELLWHABXLGUJR-UHFFFAOYSA-N 0 0 323.352 2.260 10 30 DEEERN C=C(COC(=O)c1coc(Br)c1)C(=O)OCC ZINC000734029557 633312969 /nfs/dbraw/zinc/31/29/69/633312969.db2.gz VYDPQGIKGRTMRT-UHFFFAOYSA-N 0 0 303.108 2.318 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)C[C@@H](C)c2cccnc2)c1 ZINC000734423277 633369215 /nfs/dbraw/zinc/36/92/15/633369215.db2.gz KSFZVUGYWALBHZ-CQSZACIVSA-N 0 0 321.380 2.311 10 30 DEEERN N#C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCN1C1CC1 ZINC000734839052 633432399 /nfs/dbraw/zinc/43/23/99/633432399.db2.gz VEVFJMSGWJSCMG-CQSZACIVSA-N 0 0 320.780 2.420 10 30 DEEERN C=CCCCOC(=O)c1cccnc1S(=O)(=O)C(F)(F)F ZINC000735534764 633515693 /nfs/dbraw/zinc/51/56/93/633515693.db2.gz PDZKQUNEJFLPGV-UHFFFAOYSA-N 0 0 323.292 2.498 10 30 DEEERN C=CCCCN(C)CN1c2cc(OC)cc(OC)c2C(=O)C1=O ZINC000736589597 633662633 /nfs/dbraw/zinc/66/26/33/633662633.db2.gz JNDCVKRJUXHNJK-UHFFFAOYSA-N 0 0 318.373 2.089 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000320292340 633936774 /nfs/dbraw/zinc/93/67/74/633936774.db2.gz QIFQBNQVRAMNLP-XEHSLEBBSA-N 0 0 301.795 2.167 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@H](c3nccn3C)C2)CCOCC1 ZINC000424815133 635967305 /nfs/dbraw/zinc/96/73/05/635967305.db2.gz XHDWJGDLZTWTEA-HNNXBMFYSA-N 0 0 317.433 2.499 10 30 DEEERN CC[C@@H]1NC(=O)N(Cc2cc(Cl)ccc2OCC#N)C1=O ZINC000747836804 636574187 /nfs/dbraw/zinc/57/41/87/636574187.db2.gz DJKHTCPMXNCTRP-NSHDSACASA-N 0 0 307.737 2.073 10 30 DEEERN C=CCc1ccc(OCC(=O)OCc2cnccn2)c(OC)c1 ZINC000740680460 637892001 /nfs/dbraw/zinc/89/20/01/637892001.db2.gz XSBJKWSMZWYMJK-UHFFFAOYSA-N 0 0 314.341 2.336 10 30 DEEERN C#CCCN1CCN(C(=O)c2ccc(-c3ccccc3)n2C)CC1 ZINC000742060936 638032835 /nfs/dbraw/zinc/03/28/35/638032835.db2.gz WMWLBEGCHSJQFE-UHFFFAOYSA-N 0 0 321.424 2.473 10 30 DEEERN COc1ccc(CNC(=O)Nc2nnc(C)s2)cc1C#N ZINC000746668543 638366421 /nfs/dbraw/zinc/36/64/21/638366421.db2.gz JEHQCPMMYQPVFA-UHFFFAOYSA-N 0 0 303.347 2.049 10 30 DEEERN COc1ccc(CNS(=O)(=O)CCC(C)(C)C)cc1C#N ZINC000746680260 638369816 /nfs/dbraw/zinc/36/98/16/638369816.db2.gz IHRJVKHPGPCLPK-UHFFFAOYSA-N 0 0 310.419 2.422 10 30 DEEERN COc1ccc(CNC(=O)N[C@H](C)C[C@@H]2CCOC2)cc1C#N ZINC000746748854 638374479 /nfs/dbraw/zinc/37/44/79/638374479.db2.gz WZPIQGVQMRQBCT-OCCSQVGLSA-N 0 0 317.389 2.181 10 30 DEEERN COc1ccc(CNC(=O)Cc2nc(C)sc2C)cc1C#N ZINC000746859260 638381520 /nfs/dbraw/zinc/38/15/20/638381520.db2.gz NNHRGLCPEAQMHL-UHFFFAOYSA-N 0 0 315.398 2.499 10 30 DEEERN COc1ccc(CNC(=O)Cc2ccc(C#N)cc2)cc1C#N ZINC000746876665 638383580 /nfs/dbraw/zinc/38/35/80/638383580.db2.gz CZWGBIQLXPWUBX-UHFFFAOYSA-N 0 0 305.337 2.297 10 30 DEEERN C=C(COC(=O)c1ccc(CC)c([N+](=O)[O-])c1)C(=O)OCC ZINC000747010166 638398666 /nfs/dbraw/zinc/39/86/66/638398666.db2.gz FWIOGYTXRXHEGO-UHFFFAOYSA-N 0 0 307.302 2.433 10 30 DEEERN COc1ccc(CNC(=O)[C@@H]2CSCCS2)cc1C#N ZINC000747070230 638404361 /nfs/dbraw/zinc/40/43/61/638404361.db2.gz KCDWRNWLLZXRHB-ZDUSSCGKSA-N 0 0 308.428 2.032 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000747438736 638437455 /nfs/dbraw/zinc/43/74/55/638437455.db2.gz RFSIWXYJKSWDSY-AWEZNQCLSA-N 0 0 317.458 2.078 10 30 DEEERN COc1ccc(CNC(=O)Cc2c(C)noc2Cl)cc1C#N ZINC000747443047 638437518 /nfs/dbraw/zinc/43/75/18/638437518.db2.gz BFHWCGHBEQWAHW-UHFFFAOYSA-N 0 0 319.748 2.376 10 30 DEEERN O=C1[C@@H](/N=C\c2cc(Cl)ccc2O)CCN1C1CCOCC1 ZINC000747863414 638485378 /nfs/dbraw/zinc/48/53/78/638485378.db2.gz BKYCPSIWENIFJD-KPYNCUPYSA-N 0 0 322.792 2.244 10 30 DEEERN O=C1[C@H](/N=C/c2cc(Cl)ccc2O)CCN1C1CCOCC1 ZINC000747863416 638485509 /nfs/dbraw/zinc/48/55/09/638485509.db2.gz BKYCPSIWENIFJD-YFEUJDIGSA-N 0 0 322.792 2.244 10 30 DEEERN C#CCOc1ccccc1CNC(=O)Cc1cccc(C#N)c1 ZINC000749391001 638643270 /nfs/dbraw/zinc/64/32/70/638643270.db2.gz HLRXAMFNXNHZRF-UHFFFAOYSA-N 0 0 304.349 2.429 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1noc(-c2ccc(F)cc2)n1 ZINC000896835654 638710133 /nfs/dbraw/zinc/71/01/33/638710133.db2.gz RKRYYLWKWFCRQQ-CMPLNLGQSA-N 0 0 300.293 2.298 10 30 DEEERN CCCCCCNC(=O)COC(=O)Cc1cccc(C#N)c1 ZINC000750431859 638743714 /nfs/dbraw/zinc/74/37/14/638743714.db2.gz ZZFNAKXIDAHLBH-UHFFFAOYSA-N 0 0 302.374 2.340 10 30 DEEERN C=C(COC(=O)c1cnn(CCC(F)(F)F)c1)C(=O)OCC ZINC000752290088 639170510 /nfs/dbraw/zinc/17/05/10/639170510.db2.gz IEWMFDJQCHHCPQ-UHFFFAOYSA-N 0 0 320.267 2.112 10 30 DEEERN N#Cc1csc(C(=O)OCC(=O)c2ccc3c(c2)OCO3)c1 ZINC000752591305 639201809 /nfs/dbraw/zinc/20/18/09/639201809.db2.gz SVEAYJAYYYTLLF-UHFFFAOYSA-N 0 0 315.306 2.388 10 30 DEEERN C#CCCCS(=O)(=O)NCCc1ccc(OC)cc1Cl ZINC000805036122 639277487 /nfs/dbraw/zinc/27/74/87/639277487.db2.gz SAZIFWMMDGACEC-UHFFFAOYSA-N 0 0 315.822 2.224 10 30 DEEERN C#CCCCS(=O)(=O)Oc1ccc([N+](=O)[O-])c2ncccc12 ZINC000805065718 639439229 /nfs/dbraw/zinc/43/92/29/639439229.db2.gz NNLOZSQPSBKMFD-UHFFFAOYSA-N 0 0 320.326 2.265 10 30 DEEERN C=CCNC(=O)[C@@H](C)OC(=O)Cc1coc2cc(OC)ccc12 ZINC000022650949 639566555 /nfs/dbraw/zinc/56/65/55/639566555.db2.gz RAYZVVZISBTILI-LLVKDONJSA-N 0 0 317.341 2.218 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccc(OC)c(F)c1C)C(C)(C)C ZINC000805146258 639839635 /nfs/dbraw/zinc/83/96/35/639839635.db2.gz AHBDKSRTMHPICX-CYBMUJFWSA-N 0 0 313.394 2.469 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1cc(F)c(F)c(F)c1)C(C)(C)C ZINC000805147056 639840445 /nfs/dbraw/zinc/84/04/45/639840445.db2.gz QPRORIFYLKVQHY-NSHDSACASA-N 0 0 305.321 2.430 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000805147320 639841820 /nfs/dbraw/zinc/84/18/20/639841820.db2.gz IVXDJMMQUGMBPW-LBPRGKRZSA-N 0 0 314.338 2.060 10 30 DEEERN Cc1cc2nc(C)cc(C(=O)NCc3ccc(C#N)cc3F)n2n1 ZINC000729832922 640844326 /nfs/dbraw/zinc/84/43/26/640844326.db2.gz UFKIGLLXZJXRCJ-UHFFFAOYSA-N 0 0 323.331 2.287 10 30 DEEERN C=CCOCC(=O)O[C@@H](Cn1cncn1)c1ccc(Cl)cc1 ZINC000729893847 640851713 /nfs/dbraw/zinc/85/17/13/640851713.db2.gz HMBUMZMSHQJULM-AWEZNQCLSA-N 0 0 321.764 2.419 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1COC ZINC000805781581 643246948 /nfs/dbraw/zinc/24/69/48/643246948.db2.gz AMCHHRMRNWTACB-SJORKVTESA-N 0 0 300.402 2.441 10 30 DEEERN CCc1ccc(C(=O)CCC(=O)[C@H](C#N)C(=O)NC2CC2)cc1 ZINC000129148594 644725407 /nfs/dbraw/zinc/72/54/07/644725407.db2.gz MODJFPYATYHMMQ-HNNXBMFYSA-N 0 0 312.369 2.199 10 30 DEEERN C#CCNC(=O)[C@H](C)OC(=O)c1cc2cc(Cl)ccc2o1 ZINC000027427913 644828101 /nfs/dbraw/zinc/82/81/01/644828101.db2.gz PKTXCFCEKVLEQR-VIFPVBQESA-N 0 0 305.717 2.381 10 30 DEEERN C=C[C@](C)(CC)COC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000802796146 645560239 /nfs/dbraw/zinc/56/02/39/645560239.db2.gz DXWLNJKGTGYVOG-IUODEOHRSA-N 0 0 318.435 2.114 10 30 DEEERN C#C[C@H](C)Oc1ccc(COC(=O)COC2CCOCC2)cc1 ZINC000802812091 645562879 /nfs/dbraw/zinc/56/28/79/645562879.db2.gz VSUAGOAADAXHTI-AWEZNQCLSA-N 0 0 318.369 2.326 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000803698004 645680932 /nfs/dbraw/zinc/68/09/32/645680932.db2.gz ZXFXYSSGHTXDJJ-ZDUSSCGKSA-N 0 0 318.394 2.357 10 30 DEEERN CC(C)[C@@H](OC(=O)c1cc(C#N)ccc1Cl)C(=O)N(C)C ZINC000803834907 645702554 /nfs/dbraw/zinc/70/25/54/645702554.db2.gz WVWHSSVUQSBFKK-CYBMUJFWSA-N 0 0 308.765 2.481 10 30 DEEERN C=CCOc1ccc(CN2C(=O)N[C@@]3(CCSC3)C2=O)cc1 ZINC000348626444 645751281 /nfs/dbraw/zinc/75/12/81/645751281.db2.gz RORFEEFBDOULBL-MRXNPFEDSA-N 0 0 318.398 2.179 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cnc2[nH]cnc2c1 ZINC000804455514 645774116 /nfs/dbraw/zinc/77/41/16/645774116.db2.gz IAYBVNLWQPCKDN-OAHLLOKOSA-N 0 0 304.353 2.322 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cccn(C)c1=O ZINC000806292636 645814674 /nfs/dbraw/zinc/81/46/74/645814674.db2.gz PTSXRXXNYMRSJV-OAHLLOKOSA-N 0 0 309.369 2.141 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccccc1-n1ccnc1C ZINC000806613210 645852927 /nfs/dbraw/zinc/85/29/27/645852927.db2.gz QAFZBDRUIPSHBH-UHFFFAOYSA-N 0 0 305.381 2.460 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](CCO)CSC ZINC000806849084 645879932 /nfs/dbraw/zinc/87/99/32/645879932.db2.gz OKPDMAHFCVPUHR-CVEARBPZSA-N 0 0 320.458 2.034 10 30 DEEERN C#CCCCNC(=O)C(=O)N[C@@H](C)c1ccc2ncsc2c1 ZINC000806913052 645888656 /nfs/dbraw/zinc/88/86/56/645888656.db2.gz UDVZLQZPHBTYFN-NSHDSACASA-N 0 0 315.398 2.003 10 30 DEEERN C#CCCCNC(=O)C(=O)N(Cc1ccco1)C1CCCC1 ZINC000806913339 645888677 /nfs/dbraw/zinc/88/86/77/645888677.db2.gz XJNDRXWXGIBMDT-UHFFFAOYSA-N 0 0 302.374 2.080 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([C@H](C)O)C1 ZINC000807466929 645954753 /nfs/dbraw/zinc/95/47/53/645954753.db2.gz HKNBFTOUSSYQSN-USXIJHARSA-N 0 0 300.402 2.033 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@](C)(CO)CCC ZINC000807470954 645955184 /nfs/dbraw/zinc/95/51/84/645955184.db2.gz SAAUTMMEHKMWBU-AEFFLSMTSA-N 0 0 302.418 2.471 10 30 DEEERN C=CCN(C(=O)C(=O)N[C@H](C)CCc1ccc(C)o1)C(C)C ZINC000807651812 645973852 /nfs/dbraw/zinc/97/38/52/645973852.db2.gz HEEWMTHAVNBTCC-CYBMUJFWSA-N 0 0 306.406 2.448 10 30 DEEERN CSC(C)(C)CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000173801693 646779900 /nfs/dbraw/zinc/77/99/00/646779900.db2.gz RGQFEULPOLBDLV-UHFFFAOYSA-N 0 0 307.419 2.378 10 30 DEEERN C[C@@H](CCOc1ccccc1)C(=O)[C@@H](C#N)C(=O)N1CCCC1 ZINC000173967538 646784581 /nfs/dbraw/zinc/78/45/81/646784581.db2.gz AYIDTOFDMBUIBQ-GOEBONIOSA-N 0 0 314.385 2.423 10 30 DEEERN C=CCOCCCC(=O)OC1CCC(NC(=O)NCC)CC1 ZINC000174099789 646790269 /nfs/dbraw/zinc/79/02/69/646790269.db2.gz NXVGMCJWWVMPPY-UHFFFAOYSA-N 0 0 312.410 2.143 10 30 DEEERN C#C[C@H](C)OC(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C ZINC000174473381 646811567 /nfs/dbraw/zinc/81/15/67/646811567.db2.gz CURYLMJRGARGIG-WFASDCNBSA-N 0 0 303.358 2.015 10 30 DEEERN C#CCN(C1CCCC1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000153106252 647356325 /nfs/dbraw/zinc/35/63/25/647356325.db2.gz STNLFSAOVYEGCL-UHFFFAOYSA-N 0 0 321.398 2.024 10 30 DEEERN N#Cc1ccc(N2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)cc1 ZINC000818144104 647425079 /nfs/dbraw/zinc/42/50/79/647425079.db2.gz CBEZZTDPJHIAGU-GOSISDBHSA-N 0 0 324.384 2.393 10 30 DEEERN Cc1ccc2c(c1)[C@@H](NC(=O)N1CCN(C3CC3)[C@@H](C#N)C1)CC2 ZINC000732677758 647638002 /nfs/dbraw/zinc/63/80/02/647638002.db2.gz XLIKNHBPXXQQMN-WMZOPIPTSA-N 0 0 324.428 2.364 10 30 DEEERN N#C[C@H]1CN(Cn2ccc(-c3cccs3)n2)CCN1C1CC1 ZINC000732666385 647638488 /nfs/dbraw/zinc/63/84/88/647638488.db2.gz RHKKASCZUDNVAY-AWEZNQCLSA-N 0 0 313.430 2.241 10 30 DEEERN N#C[C@@H]1CN(Cc2ccc(Br)cn2)CCN1C1CC1 ZINC000732668519 647638976 /nfs/dbraw/zinc/63/89/76/647638976.db2.gz NCYRILLPIOPPLG-CQSZACIVSA-N 0 0 321.222 2.016 10 30 DEEERN C[C@H](Cc1ccsc1)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732673589 647640083 /nfs/dbraw/zinc/64/00/83/647640083.db2.gz AFZHJCFHJVEDRS-IUODEOHRSA-N 0 0 318.446 2.061 10 30 DEEERN CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732675339 647640467 /nfs/dbraw/zinc/64/04/67/647640467.db2.gz XRAXKEKNEMNYAE-VNQPRFMTSA-N 0 0 304.438 2.337 10 30 DEEERN Cc1cccc2c1CC[C@H]2NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732704266 647645617 /nfs/dbraw/zinc/64/56/17/647645617.db2.gz VFJITTNRSMUKJJ-MAUKXSAKSA-N 0 0 324.428 2.364 10 30 DEEERN N#CC1(c2ccc(C(=O)OCCNc3ncccn3)cc2)CC1 ZINC000180041077 648453099 /nfs/dbraw/zinc/45/30/99/648453099.db2.gz QOVMUQBCGIAFKF-UHFFFAOYSA-N 0 0 308.341 2.301 10 30 DEEERN CC[NH+]1CCN(c2ccc(C(=O)O[C@@H](C#N)C3CC3)cc2)CC1 ZINC000180065652 648456650 /nfs/dbraw/zinc/45/66/50/648456650.db2.gz ZVFCYFZZXUWXOJ-KRWDZBQOSA-N 0 0 313.401 2.287 10 30 DEEERN C#CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000069199970 648551021 /nfs/dbraw/zinc/55/10/21/648551021.db2.gz YKTVGCJZBACYEP-AWEZNQCLSA-N 0 0 313.378 2.266 10 30 DEEERN N#CC1(c2ccc(C(=O)OCCn3ccccc3=O)cc2)CC1 ZINC000182518279 648931217 /nfs/dbraw/zinc/93/12/17/648931217.db2.gz HPYHWUNFSYNTAE-UHFFFAOYSA-N 0 0 308.337 2.260 10 30 DEEERN C#CC[C@H](OC(=O)c1ccnc(O[C@H]2CCOC2)c1)C(C)C ZINC000183649512 649128660 /nfs/dbraw/zinc/12/86/60/649128660.db2.gz YSZVKUVKVUWYND-GJZGRUSLSA-N 0 0 303.358 2.454 10 30 DEEERN CC(=NNCCS(C)(=O)=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000733203886 649452709 /nfs/dbraw/zinc/45/27/09/649452709.db2.gz CSNFCOHLCBBAPA-QWHCGFSZSA-N 0 0 314.838 2.454 10 30 DEEERN C#CCCNC(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC000733247793 649463894 /nfs/dbraw/zinc/46/38/94/649463894.db2.gz ZRRWDDBWPKVIHA-UHFFFAOYSA-N 0 0 313.382 2.077 10 30 DEEERN C#CCCNC(=O)c1cccc(C)c1NC(=O)c1ccncc1 ZINC000733286796 649534962 /nfs/dbraw/zinc/53/49/62/649534962.db2.gz DOWHLFCFEJPJOO-UHFFFAOYSA-N 0 0 307.353 2.395 10 30 DEEERN C#CC[C@H](OC(=O)[C@H]1CCCN(C(=O)CC)C1)c1ccccn1 ZINC000105549654 651137872 /nfs/dbraw/zinc/13/78/72/651137872.db2.gz AUVIJMAXFATASV-HOCLYGCPSA-N 0 0 314.385 2.338 10 30 DEEERN C#CCOc1ccc(NC(=O)NC[C@@H](O)Cc2ccccc2)cc1 ZINC000108520721 651660367 /nfs/dbraw/zinc/66/03/67/651660367.db2.gz AEGVVBHXBJNTHW-KRWDZBQOSA-N 0 0 324.380 2.424 10 30 DEEERN CCOCCCNC(=O)[C@H](C#N)C(=O)[C@H](C)CC1CCCC1 ZINC000114617567 651989036 /nfs/dbraw/zinc/98/90/36/651989036.db2.gz RQIHVUMAWRTOKA-UKRRQHHQSA-N 0 0 308.422 2.454 10 30 DEEERN C=CCOC(=O)c1c(N)cccc1I ZINC000379663409 685393636 /nfs/dbraw/zinc/39/36/36/685393636.db2.gz SOOJXFHZMCLYHT-UHFFFAOYSA-N 0 0 303.099 2.216 10 30 DEEERN C#CCN(CC#C)CC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C ZINC000076185671 683941002 /nfs/dbraw/zinc/94/10/02/683941002.db2.gz KPPFCSFDWKOMFR-LJQANCHMSA-N 0 0 312.413 2.077 10 30 DEEERN CC(C)[C@@H](C#N)OC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000080390388 683981928 /nfs/dbraw/zinc/98/19/28/683981928.db2.gz SXEQWNJXZLQQLC-GFCCVEGCSA-N 0 0 305.725 2.021 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Oc1ccc(C(=O)N2CCCC2)cc1 ZINC000081154253 683988152 /nfs/dbraw/zinc/98/81/52/683988152.db2.gz WTMZILANNJKJJF-UHFFFAOYSA-N 0 0 323.352 2.352 10 30 DEEERN C#CCOc1cccc(COC(=O)CCc2nc(C)no2)c1 ZINC000085984027 684009524 /nfs/dbraw/zinc/00/95/24/684009524.db2.gz MYEUTJRIODKHRR-UHFFFAOYSA-N 0 0 300.314 2.066 10 30 DEEERN C=CCc1ccc(OC(=O)c2cc(C(N)=O)cn2C)c(OC)c1 ZINC000088803099 684018644 /nfs/dbraw/zinc/01/86/44/684018644.db2.gz CFBGRNJUZZYGDL-UHFFFAOYSA-N 0 0 314.341 2.080 10 30 DEEERN C#CCOCCC(=O)O[C@@H](C)c1sc(CCOC)nc1C ZINC000091126998 684034884 /nfs/dbraw/zinc/03/48/84/684034884.db2.gz STXOTVMZLBZDMW-LBPRGKRZSA-N 0 0 311.403 2.285 10 30 DEEERN C#CCOCCC(=O)O[C@H](C)c1sc(CCOC)nc1C ZINC000091126997 684035036 /nfs/dbraw/zinc/03/50/36/684035036.db2.gz STXOTVMZLBZDMW-GFCCVEGCSA-N 0 0 311.403 2.285 10 30 DEEERN C#CCOc1ccc(NC(=O)N2CCC([C@H](C)O)CC2)cc1 ZINC000117456446 684068746 /nfs/dbraw/zinc/06/87/46/684068746.db2.gz SPMHADLYRNSSRD-ZDUSSCGKSA-N 0 0 302.374 2.323 10 30 DEEERN C[C@H](C#N)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000125655673 684147620 /nfs/dbraw/zinc/14/76/20/684147620.db2.gz ALWSDXCHKHUYMQ-GFCCVEGCSA-N 0 0 316.361 2.473 10 30 DEEERN N#Cc1ccc(OCCNC(=O)Nc2ccc(F)nc2)cc1 ZINC000127195196 684160932 /nfs/dbraw/zinc/16/09/32/684160932.db2.gz KXHSBAAVCJPFAA-UHFFFAOYSA-N 0 0 300.293 2.293 10 30 DEEERN C#CCCN1CCN(C(=O)c2ccc3cc(OC)ccc3n2)CC1 ZINC000128449913 684171023 /nfs/dbraw/zinc/17/10/23/684171023.db2.gz LPVHTFNVSRVPGM-UHFFFAOYSA-N 0 0 323.396 2.025 10 30 DEEERN CNC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000133376789 684219418 /nfs/dbraw/zinc/21/94/18/684219418.db2.gz IAVZREMJBNKRRO-CBAPKCEASA-N 0 0 315.156 2.216 10 30 DEEERN CC(=O)c1cnc(NC(=O)Cc2ccc(OCC#N)cc2)s1 ZINC000135430150 684235575 /nfs/dbraw/zinc/23/55/75/684235575.db2.gz YQYJJZQPYAFEMP-UHFFFAOYSA-N 0 0 315.354 2.429 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)O[C@H]1CCN(CC(F)(F)F)C1 ZINC000187637124 684340771 /nfs/dbraw/zinc/34/07/71/684340771.db2.gz NJQOYUDVADYHPC-AAEUAGOBSA-N 0 0 309.328 2.395 10 30 DEEERN C#CCCCCC(=O)OC[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000187896090 684344639 /nfs/dbraw/zinc/34/46/39/684344639.db2.gz YDAXERBHQSYZSD-CYBMUJFWSA-N 0 0 313.353 2.408 10 30 DEEERN CN(C)C(=O)COc1ccc(C(=O)/C=C/c2cocn2)cc1 ZINC000188043607 684348323 /nfs/dbraw/zinc/34/83/23/684348323.db2.gz OOMPGXNCOJTTGX-VMPITWQZSA-N 0 0 300.314 2.038 10 30 DEEERN N#C[C@H]1CN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCO1 ZINC000246783521 685136372 /nfs/dbraw/zinc/13/63/72/685136372.db2.gz QHJWTVCLLKKOHD-KBPBESRZSA-N 0 0 305.765 2.057 10 30 DEEERN C=C(C)CN(C)C(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000588396530 777051887 /nfs/dbraw/zinc/05/18/87/777051887.db2.gz OLQLLFDBMAQVAG-SREVYHEPSA-N 0 0 314.389 2.353 10 30 DEEERN CC[C@H](NS(=O)(=O)c1ccc(C#N)s1)[C@@H]1CCCOC1 ZINC000723841795 777182784 /nfs/dbraw/zinc/18/27/84/777182784.db2.gz WQURZUNRZVCBTQ-PWSUYJOCSA-N 0 0 314.432 2.103 10 30 DEEERN COc1ccc(CNC(=O)Cc2ccn(C(C)C)n2)cc1C#N ZINC000746924278 786544681 /nfs/dbraw/zinc/54/46/81/786544681.db2.gz WXGVBBJHBJREJL-UHFFFAOYSA-N 0 0 312.373 2.203 10 30 DEEERN COc1ccc(CNC(=O)c2ccnc(C3CC3)n2)cc1C#N ZINC000746924282 786545211 /nfs/dbraw/zinc/54/52/11/786545211.db2.gz XKYXFUAKZSEWLO-UHFFFAOYSA-N 0 0 308.341 2.164 10 30 DEEERN C=CCN1CCC(NS(=O)(=O)/C=C\c2ccccc2F)CC1 ZINC000800046520 799301772 /nfs/dbraw/zinc/30/17/72/799301772.db2.gz AZJCQPOHSHVVBE-LCYFTJDESA-N 0 0 324.421 2.366 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1ccc(NC(=O)C2CC2)s1 ZINC000321234663 802824585 /nfs/dbraw/zinc/82/45/85/802824585.db2.gz NCLOVKOTENVZMO-LLVKDONJSA-N 0 0 308.403 2.154 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)COc1ccccc1OCC ZINC000321872649 802949130 /nfs/dbraw/zinc/94/91/30/802949130.db2.gz QJPPJBODNZNLNT-UHFFFAOYSA-N 0 0 321.373 2.042 10 30 DEEERN CC(C)SCCNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000719971963 1089422911 /nfs/dbraw/zinc/42/29/11/1089422911.db2.gz GZTAADZMRAYRPX-UHFFFAOYSA-N 0 0 302.396 2.117 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)NC[C@@H]2CCCCS2)c1 ZINC000720034697 1089425323 /nfs/dbraw/zinc/42/53/23/1089425323.db2.gz AZQKNYJJHJPNCS-LBPRGKRZSA-N 0 0 314.407 2.261 10 30 DEEERN C[C@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)C[C@H](C)S1 ZINC000720037985 1089428861 /nfs/dbraw/zinc/42/88/61/1089428861.db2.gz OIISWRLITYMIOF-UWVGGRQHSA-N 0 0 314.407 2.212 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000278247486 214046169 /nfs/dbraw/zinc/04/61/69/214046169.db2.gz MDCWLEOFXPRZMS-RHSMWYFYSA-N 0 0 317.385 2.098 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)Cc1cc(Br)cn1C ZINC000278305478 214080004 /nfs/dbraw/zinc/08/00/04/214080004.db2.gz HTVQIVQAEIDRGV-UHFFFAOYSA-N 0 0 321.218 2.409 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc(S(=O)(=O)NCC)cc1 ZINC000076650532 185028813 /nfs/dbraw/zinc/02/88/13/185028813.db2.gz GYHYBOKZRKOVPI-UHFFFAOYSA-N 0 0 310.419 2.023 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N1CCO[C@@H](CCF)C1 ZINC000624830065 365563478 /nfs/dbraw/zinc/56/34/78/365563478.db2.gz PLIZWZHBPQGOSZ-ZDUSSCGKSA-N 0 0 306.341 2.289 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N1CCO[C@@](C)(COC)C1 ZINC000624833597 365565343 /nfs/dbraw/zinc/56/53/43/365565343.db2.gz MWRJEECNQCRKIY-CZUORRHYSA-N 0 0 308.426 2.219 10 30 DEEERN C[C@@]1(C#N)CCCN(C(=O)Cn2cc(-c3ccccc3)nn2)C1 ZINC000612243074 361772320 /nfs/dbraw/zinc/77/23/20/361772320.db2.gz WTIKQFBNEALXRB-KRWDZBQOSA-N 0 0 309.373 2.097 10 30 DEEERN C=CCN(CCc1ccco1)S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000625112930 365646797 /nfs/dbraw/zinc/64/67/97/365646797.db2.gz JOCLDVYXDRGGCA-CQSZACIVSA-N 0 0 313.419 2.207 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC000612486681 361840274 /nfs/dbraw/zinc/84/02/74/361840274.db2.gz STVIWZBLFZNVEX-XHSDSOJGSA-N 0 0 322.449 2.263 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000612601287 361870962 /nfs/dbraw/zinc/87/09/62/361870962.db2.gz OYNHWXHREJQVCM-HOTGVXAUSA-N 0 0 322.449 2.455 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000612604849 361872011 /nfs/dbraw/zinc/87/20/11/361872011.db2.gz XNYURUFUVNYXNB-LSDHHAIUSA-N 0 0 308.422 2.065 10 30 DEEERN CCc1nnsc1C(=O)Nc1ccc(C)cc1C#CCO ZINC000087456312 185225642 /nfs/dbraw/zinc/22/56/42/185225642.db2.gz XKFIFIJSFVILEH-UHFFFAOYSA-N 0 0 301.371 2.005 10 30 DEEERN COc1ccc(C#CCO)c(CSc2nnc(C)s2)c1 ZINC000087788896 185232034 /nfs/dbraw/zinc/23/20/34/185232034.db2.gz BQIPICQFTBPARZ-UHFFFAOYSA-N 0 0 306.412 2.491 10 30 DEEERN Cc1nnc(CN2CCO[C@@H](c3cccc(C#N)c3)C2)n1C1CC1 ZINC000328920581 231386382 /nfs/dbraw/zinc/38/63/82/231386382.db2.gz SZLBCKQSTPIRCC-QGZVFWFLSA-N 0 0 323.400 2.367 10 30 DEEERN C=C(C)CN(CC)S(=O)(=O)c1ccc(OCC)c(CO)c1 ZINC000088877315 185268131 /nfs/dbraw/zinc/26/81/31/185268131.db2.gz WJPWYRWGHPGXGA-UHFFFAOYSA-N 0 0 313.419 2.164 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc2n[nH]cc2c(C)c1 ZINC000613159777 362021958 /nfs/dbraw/zinc/02/19/58/362021958.db2.gz OXZZCMZWRSFPGW-OAHLLOKOSA-N 0 0 300.362 2.281 10 30 DEEERN C[C@H](C[S@@](C)=O)Nc1cc(Br)ccc1C#N ZINC000165991141 197685414 /nfs/dbraw/zinc/68/54/14/197685414.db2.gz CWSVSVZEOYRXKM-BCTVWOGZSA-N 0 0 301.209 2.500 10 30 DEEERN CC#CCNC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000613121609 362009003 /nfs/dbraw/zinc/00/90/03/362009003.db2.gz JEBYWRPAMBGVLH-HNNXBMFYSA-N 0 0 306.365 2.346 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(N(C)C)c1C ZINC000613271030 362065890 /nfs/dbraw/zinc/06/58/90/362065890.db2.gz RBBJVFWLLIQUQA-HNNXBMFYSA-N 0 0 303.406 2.470 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1cnnn1-c1ccccc1 ZINC000625326168 365729296 /nfs/dbraw/zinc/72/92/96/365729296.db2.gz NZHBWRYAEXDBHH-UHFFFAOYSA-N 0 0 320.418 2.148 10 30 DEEERN O=C(NCC#CCOc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000090730711 185311601 /nfs/dbraw/zinc/31/16/01/185311601.db2.gz MDDLJYHQNFCHPN-UHFFFAOYSA-N 0 0 315.369 2.494 10 30 DEEERN O=C(NCC#CCOc1ccccc1Cl)c1ccc(=O)oc1 ZINC000090728519 185311725 /nfs/dbraw/zinc/31/17/25/185311725.db2.gz NGXLZQKQKONJHA-UHFFFAOYSA-N 0 0 317.728 2.105 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1nc(-c2ccccc2)cs1 ZINC000613486430 362126538 /nfs/dbraw/zinc/12/65/38/362126538.db2.gz QDDDKQZHCNSUNW-ZDUSSCGKSA-N 0 0 302.399 2.406 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)c1nc2ccccc2n1C ZINC000613530139 362139394 /nfs/dbraw/zinc/13/93/94/362139394.db2.gz LLCDIJBEDSXFHC-AWEZNQCLSA-N 0 0 314.389 2.007 10 30 DEEERN N#Cc1ccc(CN2CCO[C@@]3(CCOC3)C2)c(OC(F)F)c1 ZINC000613584652 362154338 /nfs/dbraw/zinc/15/43/38/362154338.db2.gz STZCLGKZFDMZEI-INIZCTEOSA-N 0 0 324.327 2.151 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000613861060 362234606 /nfs/dbraw/zinc/23/46/06/362234606.db2.gz JOINQYZPXSVOGW-INIZCTEOSA-N 0 0 318.417 2.139 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000625378345 365754002 /nfs/dbraw/zinc/75/40/02/365754002.db2.gz JLIOECQLTSMIBX-OAHLLOKOSA-N 0 0 315.417 2.464 10 30 DEEERN C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1c1ccccc1 ZINC000188735852 529795982 /nfs/dbraw/zinc/79/59/82/529795982.db2.gz NLERYCPQCDFHEB-AEFFLSMTSA-N 0 0 321.380 2.439 10 30 DEEERN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)NCC2CCC2)C1 ZINC000330333709 529814908 /nfs/dbraw/zinc/81/49/08/529814908.db2.gz QAVQFJNSHVENQP-CQSZACIVSA-N 0 0 318.421 2.315 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](OCC)c1ccccc1 ZINC000614076399 362276721 /nfs/dbraw/zinc/27/67/21/362276721.db2.gz MIAVFNWXWHKLMW-DLBZAZTESA-N 0 0 318.417 2.351 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c(C(F)(F)F)cnn1C ZINC000614372510 362364699 /nfs/dbraw/zinc/36/46/99/362364699.db2.gz JQEGMWYNUMQNKI-BXKDBHETSA-N 0 0 317.311 2.150 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CC[C@H](OC)C1 ZINC000614723230 362445630 /nfs/dbraw/zinc/44/56/30/362445630.db2.gz WXCYXMXNOMSBTR-KGLIPLIRSA-N 0 0 307.390 2.492 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(c2ccccn2)CCC1 ZINC000614781248 362460516 /nfs/dbraw/zinc/46/05/16/362460516.db2.gz XLIKNEPYMDPMGP-HNNXBMFYSA-N 0 0 315.417 2.090 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC=C(c2cccnc2)C1 ZINC000614860979 362477591 /nfs/dbraw/zinc/47/75/91/362477591.db2.gz IQXCEVJLYRTRKP-KRWDZBQOSA-N 0 0 313.401 2.168 10 30 DEEERN CC(C)Cn1ncc2cc(C(=O)N3CC[C@](F)(C#N)C3)cnc21 ZINC000615583709 362645837 /nfs/dbraw/zinc/64/58/37/362645837.db2.gz WBLVSKDGLHMLCI-INIZCTEOSA-N 0 0 315.352 2.165 10 30 DEEERN CC(C)(CCC#N)CNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451556755 535007474 /nfs/dbraw/zinc/00/74/74/535007474.db2.gz AMUXWLUZLZSLOW-UHFFFAOYSA-N 0 0 323.393 2.447 10 30 DEEERN COC(=O)C[C@H](NC(=O)c1sccc1C#N)c1ccncc1 ZINC000615671737 362677224 /nfs/dbraw/zinc/67/72/24/362677224.db2.gz ZWNNFHFFOVEHTJ-LBPRGKRZSA-N 0 0 315.354 2.049 10 30 DEEERN C=CCC1(C(=O)N2CCN(c3ncns3)CC2)CCCC1 ZINC000615808284 362706558 /nfs/dbraw/zinc/70/65/58/362706558.db2.gz PZYUEZFJBMIIDF-UHFFFAOYSA-N 0 0 306.435 2.323 10 30 DEEERN Cc1sc(NC(=O)CN2CCO[C@@H](C)[C@H]2C)c(C#N)c1C ZINC000247016059 282473819 /nfs/dbraw/zinc/47/38/19/282473819.db2.gz QECGOXLGOVBVQR-MNOVXSKESA-N 0 0 307.419 2.284 10 30 DEEERN CCC(O)(CC)CCNC(=O)NCc1ccc(C#N)cc1F ZINC000615962623 362739512 /nfs/dbraw/zinc/73/95/12/362739512.db2.gz WDOSYQYARGYFCE-UHFFFAOYSA-N 0 0 307.369 2.438 10 30 DEEERN C=CCc1ccc(OCC(=O)NCC2CSC2)c(OC)c1 ZINC000616065440 362765822 /nfs/dbraw/zinc/76/58/22/362765822.db2.gz CJFZDMKYOMIZGD-UHFFFAOYSA-N 0 0 307.415 2.282 10 30 DEEERN C=CCCCCCN(C)C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000625758975 365893117 /nfs/dbraw/zinc/89/31/17/365893117.db2.gz MDDGXBAPKKLUQF-CQSZACIVSA-N 0 0 306.410 2.133 10 30 DEEERN C=CCCCCCN(C)C(=O)c1ccnc(N2CCOCC2)n1 ZINC000625758713 365893334 /nfs/dbraw/zinc/89/33/34/365893334.db2.gz BUOMHLIEHIWGFE-UHFFFAOYSA-N 0 0 318.421 2.132 10 30 DEEERN CCN(C(=O)Cn1ccnc1C#N)c1nc2ccccc2s1 ZINC000123933818 185858207 /nfs/dbraw/zinc/85/82/07/185858207.db2.gz ZHIYKQHXWRZGAQ-UHFFFAOYSA-N 0 0 311.370 2.418 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1(OC)CCC(F)(F)CC1 ZINC000616409751 362850311 /nfs/dbraw/zinc/85/03/11/362850311.db2.gz VFJVXSITCKNSFJ-RYUDHWBXSA-N 0 0 303.349 2.288 10 30 DEEERN C=C[C@](C)(O)C(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000616508278 362876752 /nfs/dbraw/zinc/87/67/52/362876752.db2.gz HKHZSWQUFDGKOU-DOMZBBRYSA-N 0 0 313.756 2.316 10 30 DEEERN COc1ccccc1C(=O)NCc1cc(C#CCO)cs1 ZINC000071321909 190957120 /nfs/dbraw/zinc/95/71/20/190957120.db2.gz KOYFNBRQEPLWNH-UHFFFAOYSA-N 0 0 301.367 2.031 10 30 DEEERN CCC[C@H]1CC[C@H](C#N)[C@H](S(=O)(=O)CCC(=O)OC)C1 ZINC000084252909 192417224 /nfs/dbraw/zinc/41/72/24/192417224.db2.gz VCBKLNAQDLVPLF-YNEHKIRRSA-N 0 0 301.408 2.073 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000277320020 213442745 /nfs/dbraw/zinc/44/27/45/213442745.db2.gz FUQUFFMYPBWVRC-UHFFFAOYSA-N 0 0 308.381 2.092 10 30 DEEERN COC(CN1C(=O)c2ccc(C(F)(F)F)cc2C1C#N)OC ZINC000071680972 191007256 /nfs/dbraw/zinc/00/72/56/191007256.db2.gz KPGLWSYWHLCQFX-LLVKDONJSA-N 0 0 314.263 2.345 10 30 DEEERN C[C@H]1SCCN(C(=O)c2ccc(C#CCCO)cc2)[C@H]1C ZINC000133651188 186003401 /nfs/dbraw/zinc/00/34/01/186003401.db2.gz OICWBQMIYSCPEA-UONOGXRCSA-N 0 0 303.427 2.387 10 30 DEEERN CC(C)(C#N)CCCOc1ccc(F)cc1S(N)(=O)=O ZINC000147245878 186038868 /nfs/dbraw/zinc/03/88/68/186038868.db2.gz BPTRZXSXXIBEOW-UHFFFAOYSA-N 0 0 300.355 2.182 10 30 DEEERN CC(C)n1cccc1C(=O)NCc1sccc1C#CCO ZINC000148533751 186045217 /nfs/dbraw/zinc/04/52/17/186045217.db2.gz SBIQRRNHLXPCJO-UHFFFAOYSA-N 0 0 302.399 2.404 10 30 DEEERN Cc1ccc(C(=O)NCc2sccc2C#CCO)c(F)c1 ZINC000148564714 186045253 /nfs/dbraw/zinc/04/52/53/186045253.db2.gz BXVPBMVXKRDIHW-UHFFFAOYSA-N 0 0 303.358 2.469 10 30 DEEERN C#CCN1C(=O)N=C(N)[C@@H]1c1ccc(C)cc1Br ZINC000164367584 186157310 /nfs/dbraw/zinc/15/73/10/186157310.db2.gz LLPOHVBONXQYQR-NSHDSACASA-N 0 0 306.163 2.225 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(C(N)=O)cc1 ZINC000617037449 363007010 /nfs/dbraw/zinc/00/70/10/363007010.db2.gz NFJRNCSMIAYYAN-CZUORRHYSA-N 0 0 316.401 2.415 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)C(C)(C)C ZINC000617042126 363007862 /nfs/dbraw/zinc/00/78/62/363007862.db2.gz NRJXZVGSPNKRKE-OLZOCXBDSA-N 0 0 301.452 2.451 10 30 DEEERN N#Cc1ccc(CC(=O)N2CCC(Cn3cccn3)CC2)cc1 ZINC000172392631 198090035 /nfs/dbraw/zinc/09/00/35/198090035.db2.gz RISJYKHQUPWTFW-UHFFFAOYSA-N 0 0 308.385 2.236 10 30 DEEERN C=CCCC1(CNC(=O)[C@@H]2CCCS(=O)(=O)C2)CCCC1 ZINC000617418155 363129133 /nfs/dbraw/zinc/12/91/33/363129133.db2.gz UWTIPCRTUWRSSZ-CQSZACIVSA-N 0 0 313.463 2.454 10 30 DEEERN C[C@H]1COC[C@H](C)N1CC(=O)Nc1ccccc1SCC#N ZINC000072686034 191215814 /nfs/dbraw/zinc/21/58/14/191215814.db2.gz TZMAEJNSXPTELL-STQMWFEESA-N 0 0 319.430 2.350 10 30 DEEERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCCNC1=O ZINC000328830025 539911239 /nfs/dbraw/zinc/91/12/39/539911239.db2.gz JRNSLMPLYHFNIH-HBNTYKKESA-N 0 0 313.423 2.009 10 30 DEEERN CCn1cnnc1CCNC(=O)[C@H]1CCc2cccc(O)c21 ZINC000328590384 539908856 /nfs/dbraw/zinc/90/88/56/539908856.db2.gz HBZIGHAUCZQNNX-LBPRGKRZSA-N 0 0 300.362 2.233 10 30 DEEERN O=C(CN1CCOCC1=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000329886049 539931505 /nfs/dbraw/zinc/93/15/05/539931505.db2.gz VNWDBSFIKAHUHS-WDEREUQCSA-N 0 0 322.327 2.170 10 30 DEEERN C=CCN(C(=O)Cn1ccc(=O)c2ccccc21)[C@@H](C)COC ZINC000617578989 363195203 /nfs/dbraw/zinc/19/52/03/363195203.db2.gz VSZYMOJNAKDAOE-AWEZNQCLSA-N 0 0 314.385 2.051 10 30 DEEERN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000332758430 539939525 /nfs/dbraw/zinc/93/95/25/539939525.db2.gz UIHFKBISXOWROU-YXWQFLTLSA-N 0 0 316.405 2.350 10 30 DEEERN C=CCNC(=O)CN1CCC[C@H]1c1cc(OC)ccc1OC ZINC000015312491 354032460 /nfs/dbraw/zinc/03/24/60/354032460.db2.gz NIWUFKIEHFKJSE-HNNXBMFYSA-N 0 0 304.390 2.143 10 30 DEEERN CCN(Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)C[C@@H](C)C#N ZINC000049982223 354365600 /nfs/dbraw/zinc/36/56/00/354365600.db2.gz PGIIKRFLBZCFSK-JTQLQIEISA-N 0 0 316.430 2.455 10 30 DEEERN C=C(C)CN(CC)C(=O)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000060783728 354620202 /nfs/dbraw/zinc/62/02/02/354620202.db2.gz WWRNNARCDRZVBE-UHFFFAOYSA-N 0 0 324.446 2.088 10 30 DEEERN C=CCC1(NC(=O)c2cnn3c2C[C@@H](C)CC3)CCOCC1 ZINC000618251873 363432147 /nfs/dbraw/zinc/43/21/47/363432147.db2.gz UHWXDIDQODJDLV-ZDUSSCGKSA-N 0 0 303.406 2.321 10 30 DEEERN COc1cc2c(ccn2CC(=O)N(C)CCC#N)c(OC)c1 ZINC000075234622 191447724 /nfs/dbraw/zinc/44/77/24/191447724.db2.gz HPVVPBRUPOKDCK-UHFFFAOYSA-N 0 0 301.346 2.031 10 30 DEEERN C[C@H]1CO[C@H](CO)CN1c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092685141 355646675 /nfs/dbraw/zinc/64/66/75/355646675.db2.gz XOLCAUQSRBUFPN-GWCFXTLKSA-N 0 0 317.776 2.346 10 30 DEEERN N#C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CC1 ZINC000108827555 355738491 /nfs/dbraw/zinc/73/84/91/355738491.db2.gz HKZMDKNPCKNUDO-BXUZGUMPSA-N 0 0 317.776 2.111 10 30 DEEERN C=CCNc1ncc(C(=O)N[C@@H](C(=O)OC)C(C)(C)C)s1 ZINC000129765189 355836293 /nfs/dbraw/zinc/83/62/93/355836293.db2.gz KZWSIGLIXAZOCM-JTQLQIEISA-N 0 0 311.407 2.059 10 30 DEEERN C=C(C)COCCNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000183129732 356160549 /nfs/dbraw/zinc/16/05/49/356160549.db2.gz XAXVAXJYKHHJTP-UHFFFAOYSA-N 0 0 305.300 2.158 10 30 DEEERN Cn1nnc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)cc21 ZINC000183451720 356173243 /nfs/dbraw/zinc/17/32/43/356173243.db2.gz LOPUBQLOYQYNGL-NSHDSACASA-N 0 0 316.324 2.335 10 30 DEEERN C[C@@]1(c2ccccc2)CN(C(=O)c2ccnc(C#N)c2)CCO1 ZINC000193531067 356227054 /nfs/dbraw/zinc/22/70/54/356227054.db2.gz NLVNNHBIDZBZBN-SFHVURJKSA-N 0 0 307.353 2.341 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCCOc1ccc(Cl)cc1 ZINC000080943992 192204527 /nfs/dbraw/zinc/20/45/27/192204527.db2.gz DYNDHZHZTIXTHB-UHFFFAOYSA-N 0 0 303.749 2.359 10 30 DEEERN N/C(=N/O)Nc1c(Br)cccc1Br ZINC000232140230 356285189 /nfs/dbraw/zinc/28/51/89/356285189.db2.gz DDHNNBQEXKFDNU-UHFFFAOYSA-N 0 0 308.961 2.327 10 30 DEEERN COCCOc1ccc(F)cc1NC(=O)c1cc(C#N)cn1C ZINC000081083634 192224814 /nfs/dbraw/zinc/22/48/14/192224814.db2.gz QPQIRFUXASDNII-UHFFFAOYSA-N 0 0 317.320 2.313 10 30 DEEERN C#CCCCCNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000177471524 198730909 /nfs/dbraw/zinc/73/09/09/198730909.db2.gz OGFIZEJQFROWOL-CQSZACIVSA-N 0 0 320.414 2.008 10 30 DEEERN CCN1CCN(C(=O)N[C@H](C)C(C)C)C[C@H]1c1nccn1C ZINC000328616645 356460398 /nfs/dbraw/zinc/46/03/98/356460398.db2.gz BXVJGFYHBUIGPB-KGLIPLIRSA-N 0 0 307.442 2.057 10 30 DEEERN CCc1ncc(C(=O)N[C@H](c2nc(C)no2)C2CCOCC2)[nH]1 ZINC000328615186 356460451 /nfs/dbraw/zinc/46/04/51/356460451.db2.gz YANADQNKTBFRPT-ZDUSSCGKSA-N 0 0 319.365 2.136 10 30 DEEERN Cc1ccc([C@@H](O)CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)o1 ZINC000328631808 356465144 /nfs/dbraw/zinc/46/51/44/356465144.db2.gz RJAZPSGWRRGIEH-OSAQELSMSA-N 0 0 319.361 2.089 10 30 DEEERN C=CCOCCCNC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000618515509 363512785 /nfs/dbraw/zinc/51/27/85/363512785.db2.gz YFKRRMQPEHNCLQ-UHFFFAOYSA-N 0 0 309.362 2.035 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(N2CCOCC2)c(C)c1 ZINC000618516918 363513893 /nfs/dbraw/zinc/51/38/93/363513893.db2.gz WPVOJZHXFOHZMQ-UHFFFAOYSA-N 0 0 318.417 2.154 10 30 DEEERN C=CCOCCCNC(=O)CN(C)c1nc2ccccc2s1 ZINC000618521526 363514913 /nfs/dbraw/zinc/51/49/13/363514913.db2.gz XFYZXJGXCTYPMB-UHFFFAOYSA-N 0 0 319.430 2.441 10 30 DEEERN C=CCOCCCNC(=O)c1cn(CC)nc1C(F)(F)F ZINC000618524480 363515563 /nfs/dbraw/zinc/51/55/63/363515563.db2.gz GINXUOJIUGNMSF-UHFFFAOYSA-N 0 0 305.300 2.244 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(-c2n[nH]c(C)n2)cc1 ZINC000618524031 363515913 /nfs/dbraw/zinc/51/59/13/363515913.db2.gz ZVJJENDTIUBMBW-UHFFFAOYSA-N 0 0 300.362 2.103 10 30 DEEERN C=CCOCCCNC(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000618522806 363516344 /nfs/dbraw/zinc/51/63/44/363516344.db2.gz UNLLIQKJTDGVNV-UHFFFAOYSA-N 0 0 317.389 2.300 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCC1(S(C)(=O)=O)CCCCC1 ZINC000618485808 363506371 /nfs/dbraw/zinc/50/63/71/363506371.db2.gz RRQCDXKGPCZNAW-ZDUSSCGKSA-N 0 0 301.452 2.452 10 30 DEEERN C=CCNC(=O)Cc1noc([C@H]2C[C@]2(F)c2ccccc2)n1 ZINC000351201385 356630146 /nfs/dbraw/zinc/63/01/46/356630146.db2.gz CCLFGDKFQHDHAD-WBMJQRKESA-N 0 0 301.321 2.267 10 30 DEEERN CC(C)c1ccc([C@H](C#N)C(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000086024603 192545684 /nfs/dbraw/zinc/54/56/84/192545684.db2.gz LHFPBNDUAUQYIK-GJZGRUSLSA-N 0 0 305.399 2.421 10 30 DEEERN N#Cc1cccc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)n1 ZINC000301662494 283209995 /nfs/dbraw/zinc/20/99/95/283209995.db2.gz VBFLUHUUJHCIQI-ROUUACIJSA-N 0 0 320.396 2.043 10 30 DEEERN N#Cc1cc(C(F)(F)F)c(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000514280167 356741754 /nfs/dbraw/zinc/74/17/54/356741754.db2.gz AMBISEKGBRXGHY-UHFFFAOYSA-N 0 0 318.198 2.243 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)N1C(=O)N[C@H](c2ccn(C)n2)C1=O ZINC000578338124 356801540 /nfs/dbraw/zinc/80/15/40/356801540.db2.gz NFLXNQZQYPUHBL-GOEBONIOSA-N 0 0 324.384 2.200 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000578665297 356854333 /nfs/dbraw/zinc/85/43/33/356854333.db2.gz BBOBVDLRONFYLK-UHFFFAOYSA-N 0 0 303.337 2.498 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000579346366 356960678 /nfs/dbraw/zinc/96/06/78/356960678.db2.gz POGVPZHUSGWBHC-RFBLXINOSA-N 0 0 320.433 2.224 10 30 DEEERN C=C(C)CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000579766373 357027871 /nfs/dbraw/zinc/02/78/71/357027871.db2.gz MWVRVNUTZLBEKB-UHFFFAOYSA-N 0 0 302.334 2.494 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000581662523 357225805 /nfs/dbraw/zinc/22/58/05/357225805.db2.gz MTSAHBWPOGUZEU-WHOFXGATSA-N 0 0 304.346 2.406 10 30 DEEERN C[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000585711237 357347828 /nfs/dbraw/zinc/34/78/28/357347828.db2.gz RTOLEFDNCYBSGV-BXUZGUMPSA-N 0 0 317.364 2.008 10 30 DEEERN CC[C@H](C)CN(CC)C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586860991 357377677 /nfs/dbraw/zinc/37/76/77/357377677.db2.gz UPHKRYPMIMCRQV-LBPRGKRZSA-N 0 0 319.380 2.208 10 30 DEEERN C[C@@H]1COCC[C@H]1CNC(=O)NCc1ccc(C#N)cc1F ZINC000588214954 357401859 /nfs/dbraw/zinc/40/18/59/357401859.db2.gz JJNIENCYGOHZKW-YPMHNXCESA-N 0 0 305.353 2.169 10 30 DEEERN C=CCN(C(=O)c1coc(C)n1)c1nc(C(=O)OCC)cs1 ZINC000588895871 357432127 /nfs/dbraw/zinc/43/21/27/357432127.db2.gz HGIPJJCPHQOUFR-UHFFFAOYSA-N 0 0 321.358 2.449 10 30 DEEERN C=C[C@H](N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)C(=O)OC ZINC000589284706 357461418 /nfs/dbraw/zinc/46/14/18/357461418.db2.gz YCXQAFBARMHJAU-KKUMJFAQSA-N 0 0 308.809 2.402 10 30 DEEERN C=CCOc1ccc(C(=O)N2C[C@@H]3COC[C@]3(C)C2)cc1OC ZINC000618722408 363586987 /nfs/dbraw/zinc/58/69/87/363586987.db2.gz MTNOBPZKMMZEBU-KDOFPFPSSA-N 0 0 317.385 2.369 10 30 DEEERN C=CCn1c([C@@H]2CCCOC2)nnc1N(CCC#N)CC1CC1 ZINC000591613265 357742316 /nfs/dbraw/zinc/74/23/16/357742316.db2.gz MCPCAIFQQWUYBR-OAHLLOKOSA-N 0 0 315.421 2.488 10 30 DEEERN C=CCSCCNC(=O)C(=O)N1CCCC[C@@H]1C1CCC1 ZINC000592331895 357862873 /nfs/dbraw/zinc/86/28/73/357862873.db2.gz BWKAMOQPULQGAO-CQSZACIVSA-N 0 0 310.463 2.203 10 30 DEEERN C=CCOc1ccc(C(=O)NC[C@@H](CC)C(=O)OC)cc1OC ZINC000592873154 357966835 /nfs/dbraw/zinc/96/68/35/357966835.db2.gz YRFIQCYMTCTNOH-GFCCVEGCSA-N 0 0 321.373 2.189 10 30 DEEERN C=C(C)COc1cc(CN2C[C@@H]3C[C@H]2C[S@]3=O)ccc1OC ZINC000593687168 358123185 /nfs/dbraw/zinc/12/31/85/358123185.db2.gz JFFFUYCOTMUSPO-AYSMAOOMSA-N 0 0 321.442 2.355 10 30 DEEERN C=CCCn1cc(CS(=O)(=O)c2ccc(C#N)c(C)c2)nn1 ZINC000593940876 358175646 /nfs/dbraw/zinc/17/56/46/358175646.db2.gz FPPOXIMYPXIVHT-UHFFFAOYSA-N 0 0 316.386 2.008 10 30 DEEERN CC(=O)N1CCC[C@H]1C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594137547 358212747 /nfs/dbraw/zinc/21/27/47/358212747.db2.gz COMBWDYKXJBTMQ-INIZCTEOSA-N 0 0 311.385 2.065 10 30 DEEERN C=CCn1c(COCC)nnc1N1Cc2ccc(C#N)cc2C1 ZINC000594472220 358279204 /nfs/dbraw/zinc/27/92/04/358279204.db2.gz BQYCYKIXHOTRBC-UHFFFAOYSA-N 0 0 309.373 2.392 10 30 DEEERN C=CC[C@H]1CCCN(S(=O)(=O)c2cnc(C)c(C#N)c2)C1 ZINC000594821493 358343809 /nfs/dbraw/zinc/34/38/09/358343809.db2.gz IOQGRLWLFDLCQL-ZDUSSCGKSA-N 0 0 305.403 2.239 10 30 DEEERN C=CCOCCCNC(=O)NCc1ccc(C(=O)OC)cc1F ZINC000595766251 358543453 /nfs/dbraw/zinc/54/34/53/358543453.db2.gz CNHUQMSCJVSIRW-UHFFFAOYSA-N 0 0 324.352 2.004 10 30 DEEERN C=CCCSCCNC(=O)N1CCC(Cn2cnnc2)CC1 ZINC000595722664 358533178 /nfs/dbraw/zinc/53/31/78/358533178.db2.gz HBRIQZWZJOLFFZ-UHFFFAOYSA-N 0 0 323.466 2.009 10 30 DEEERN COC[C@H](COc1ccc(Br)cc1C#N)OC ZINC000596266172 358655827 /nfs/dbraw/zinc/65/58/27/358655827.db2.gz OHVVHLSYOYBATH-LLVKDONJSA-N 0 0 300.152 2.361 10 30 DEEERN C=CCOCCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000596472799 358693839 /nfs/dbraw/zinc/69/38/39/358693839.db2.gz KLGGCJAEJUXCSS-UHFFFAOYSA-N 0 0 320.392 2.064 10 30 DEEERN CN1C[C@H](CNc2cccc(Br)c2C#N)CC1=O ZINC000596492940 358698903 /nfs/dbraw/zinc/69/89/03/358698903.db2.gz WEVBLPUZRBNEFH-VIFPVBQESA-N 0 0 308.179 2.211 10 30 DEEERN C=CCCSCCNC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000596766443 358756256 /nfs/dbraw/zinc/75/62/56/358756256.db2.gz REJIZGMQAWPGHJ-UHFFFAOYSA-N 0 0 318.406 2.093 10 30 DEEERN C=CCSCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1CC=C ZINC000597217504 358857834 /nfs/dbraw/zinc/85/78/34/358857834.db2.gz DGCXQZFBZRBVFU-ZIAGYGMSSA-N 0 0 310.463 2.273 10 30 DEEERN C=CCCC1(CNC(=O)C(=O)N[C@@H](C)CSC)CCCC1 ZINC000597286474 358878824 /nfs/dbraw/zinc/87/88/24/358878824.db2.gz CLAMTPBXPGALJZ-ZDUSSCGKSA-N 0 0 312.479 2.497 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cn(C)nc1-c1ccco1 ZINC000627351499 366507628 /nfs/dbraw/zinc/50/76/28/366507628.db2.gz UOMRPVMIWPOBHC-UHFFFAOYSA-N 0 0 316.361 2.043 10 30 DEEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc([C@H](C)CC)c1 ZINC000627470807 366529100 /nfs/dbraw/zinc/52/91/00/366529100.db2.gz ZLRFJHZXFAUHJI-IUODEOHRSA-N 0 0 304.390 2.192 10 30 DEEERN C=CCC[C@@H](NC(=O)Cc1ccncc1Cl)C(=O)OCC ZINC000597732898 358993224 /nfs/dbraw/zinc/99/32/24/358993224.db2.gz LSTLJGPGQWDBRJ-CYBMUJFWSA-N 0 0 310.781 2.292 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000185768043 199885345 /nfs/dbraw/zinc/88/53/45/199885345.db2.gz HSLXYHAVLGOJDU-AWEZNQCLSA-N 0 0 305.374 2.309 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1c(C)nc(C2CC2)nc1SC ZINC000185858943 199895889 /nfs/dbraw/zinc/89/58/89/199895889.db2.gz BBNRXQWPWOPSOL-LLVKDONJSA-N 0 0 307.419 2.051 10 30 DEEERN C=CCCSCCNC(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000597968452 359054180 /nfs/dbraw/zinc/05/41/80/359054180.db2.gz HJWLHXOLGCOLFG-UHFFFAOYSA-N 0 0 320.418 2.267 10 30 DEEERN CC#CCCCC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000185869874 199898008 /nfs/dbraw/zinc/89/80/08/199898008.db2.gz SZIDXXQNYYAUKF-GJZGRUSLSA-N 0 0 305.374 2.124 10 30 DEEERN C=C(C)[C@@H]([NH2+]C[C@@H](O)CC(=O)OCC)c1ccc(F)c(F)c1 ZINC000599367357 359479053 /nfs/dbraw/zinc/47/90/53/359479053.db2.gz GWYOCFJUQHWIQI-BLLLJJGKSA-N 0 0 313.344 2.486 10 30 DEEERN C=C(C)[C@H]([NH2+]C[C@H](O)CC(=O)OCC)c1ccc(F)c(F)c1 ZINC000599367360 359479103 /nfs/dbraw/zinc/47/91/03/359479103.db2.gz GWYOCFJUQHWIQI-WBMJQRKESA-N 0 0 313.344 2.486 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000599374967 359482389 /nfs/dbraw/zinc/48/23/89/359482389.db2.gz OUEJKRHJALUOQA-ZDUSSCGKSA-N 0 0 324.402 2.365 10 30 DEEERN CC#CCCNC(=O)Nc1ccc(O[C@@H](C)C(=O)OC)c(F)c1 ZINC000599871120 359615747 /nfs/dbraw/zinc/61/57/47/359615747.db2.gz SKRLKLPDYWRDEQ-NSHDSACASA-N 0 0 322.336 2.301 10 30 DEEERN C=CCCSCCNC(=O)c1ccn(C2CCOCC2)n1 ZINC000600091145 359646598 /nfs/dbraw/zinc/64/65/98/359646598.db2.gz UIISAVMNSCDRFH-UHFFFAOYSA-N 0 0 309.435 2.274 10 30 DEEERN C=C[C@@H](CC(=O)N1CC[C@@](OC)(C(=O)OC)C1)c1ccccc1 ZINC000600289776 359714427 /nfs/dbraw/zinc/71/44/27/359714427.db2.gz ZKRLCWUZXFKLFJ-KSSFIOAISA-N 0 0 317.385 2.137 10 30 DEEERN C=CCc1cc([N+](=O)[O-])ccc1OC[C@@H](O)CC(=O)OCC ZINC000600512226 359758338 /nfs/dbraw/zinc/75/83/38/359758338.db2.gz AWXYKSMZJWXGBG-ZDUSSCGKSA-N 0 0 309.318 2.016 10 30 DEEERN C=CC[C@H](C(=O)NC[C@@H](C)N1CCOCC1)c1ccccc1 ZINC000188195163 200207194 /nfs/dbraw/zinc/20/71/94/200207194.db2.gz DYFCOURJOAXULR-WBVHZDCISA-N 0 0 302.418 2.183 10 30 DEEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(COC)c(OC)c1 ZINC000627554179 366547751 /nfs/dbraw/zinc/54/77/51/366547751.db2.gz CMNFXFRRPZWWQE-ZDUSSCGKSA-N 0 0 320.389 2.251 10 30 DEEERN N#Cc1ccnc(NC(=O)c2ccccc2N2CCOCC2)c1 ZINC000436020076 237709407 /nfs/dbraw/zinc/70/94/07/237709407.db2.gz PKHMIHHUQMGGMU-UHFFFAOYSA-N 0 0 308.341 2.042 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cnc(CC(C)C)nc2)C1 ZINC000627732755 366603442 /nfs/dbraw/zinc/60/34/42/366603442.db2.gz BTPSLEWZKLFFQK-ZDUSSCGKSA-N 0 0 316.405 2.038 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(C(C)=O)c2)C1 ZINC000627733559 366603773 /nfs/dbraw/zinc/60/37/73/366603773.db2.gz XHWNYDUCFOHXHB-GFCCVEGCSA-N 0 0 318.348 2.391 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2OC)C1 ZINC000627732861 366603785 /nfs/dbraw/zinc/60/37/85/366603785.db2.gz FJXWXWSIQBYSPM-JTQLQIEISA-N 0 0 324.327 2.337 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(N(C)C)cc2C)C1 ZINC000627734778 366604682 /nfs/dbraw/zinc/60/46/82/366604682.db2.gz BZUKOZLFHUESIY-AWEZNQCLSA-N 0 0 315.417 2.424 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)COC3)C1 ZINC000627734609 366604969 /nfs/dbraw/zinc/60/49/69/366604969.db2.gz XXIDWVXMOUZMGC-GFCCVEGCSA-N 0 0 300.358 2.080 10 30 DEEERN C=CCCCN(C)C(=O)c1cc(C(=O)OC(C)(C)C)nn1C ZINC000601203622 359963623 /nfs/dbraw/zinc/96/36/23/359963623.db2.gz VBHYAVBQVILBPM-UHFFFAOYSA-N 0 0 307.394 2.414 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCOCC(=O)OC(C)(C)C ZINC000601636537 360096236 /nfs/dbraw/zinc/09/62/36/360096236.db2.gz HVPBSRGQJVKVOH-OKILXGFUSA-N 0 0 324.421 2.237 10 30 DEEERN C=C(C)C[C@@H](NC(=O)COc1ccccc1Cl)C(=O)OC ZINC000601771636 360140488 /nfs/dbraw/zinc/14/04/88/360140488.db2.gz JLWFUUPMKQDKJM-GFCCVEGCSA-N 0 0 311.765 2.343 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCn1cnc2ccccc21)C(=O)OC ZINC000601772323 360142013 /nfs/dbraw/zinc/14/20/13/360142013.db2.gz PGYCAAMVBGQZTL-CQSZACIVSA-N 0 0 315.373 2.050 10 30 DEEERN C=CC(C)(C)C(=O)N1CC[C@@](COC)(C(=O)OC(C)(C)C)C1 ZINC000601774430 360142676 /nfs/dbraw/zinc/14/26/76/360142676.db2.gz KTVBAMKEPPNNFF-QGZVFWFLSA-N 0 0 311.422 2.405 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)OCc1ccccc1)C(=O)OC ZINC000601778668 360144521 /nfs/dbraw/zinc/14/45/21/360144521.db2.gz OSSVSVTWXROBGS-UKRRQHHQSA-N 0 0 305.374 2.216 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc2cc(C)cn2c1)C(=O)OC ZINC000601780409 360144596 /nfs/dbraw/zinc/14/45/96/360144596.db2.gz BXKWEDADARHSFQ-OAHLLOKOSA-N 0 0 300.358 2.485 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H](C)OCCc1ccccc1)C(=O)OC ZINC000601781662 360145812 /nfs/dbraw/zinc/14/58/12/360145812.db2.gz KTPYCWYVPOMYFL-HOCLYGCPSA-N 0 0 319.401 2.258 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(NC(C)=O)c(F)c1)C(=O)OC ZINC000601783610 360147488 /nfs/dbraw/zinc/14/74/88/360147488.db2.gz XDRFIECKLYGQNA-CQSZACIVSA-N 0 0 322.336 2.022 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cn1ccc2ccccc21)C(=O)OC ZINC000601784433 360147973 /nfs/dbraw/zinc/14/79/73/360147973.db2.gz DBVOERWAKROXOA-AWEZNQCLSA-N 0 0 300.358 2.265 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ncc2cc(Cl)ccn21)C(=O)OC ZINC000601785510 360148751 /nfs/dbraw/zinc/14/87/51/360148751.db2.gz SAAVBHOUWOJHAH-LBPRGKRZSA-N 0 0 321.764 2.225 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1CCc2ccccc2O1)C(=O)OC ZINC000601785601 360148764 /nfs/dbraw/zinc/14/87/64/360148764.db2.gz SWQMVDYGCJRFRZ-HIFRSBDPSA-N 0 0 303.358 2.004 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H](C)Cc1ccc(C#N)cc1)C(=O)OC ZINC000601786218 360149644 /nfs/dbraw/zinc/14/96/44/360149644.db2.gz XIWMPGBCLJRXIV-CJNGLKHVSA-N 0 0 314.385 2.361 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cc(C(=O)OC(C)(C)C)nn2C)C1 ZINC000601680761 360112062 /nfs/dbraw/zinc/11/20/62/360112062.db2.gz WATIVZAQLZBBRU-GFCCVEGCSA-N 0 0 319.405 2.414 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H](C#N)CCc1ccccc1)C(=O)OC ZINC000601788696 360151270 /nfs/dbraw/zinc/15/12/70/360151270.db2.gz WSYCAOPZAXZGQD-HOTGVXAUSA-N 0 0 314.385 2.383 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(C)nc1OCC)C(=O)OC ZINC000602416937 360363264 /nfs/dbraw/zinc/36/32/64/360363264.db2.gz YZFOKTZTDSKSBX-ZDUSSCGKSA-N 0 0 306.362 2.026 10 30 DEEERN C=CCN(Cc1cn(C)nc1[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000602455277 360381202 /nfs/dbraw/zinc/38/12/02/360381202.db2.gz RFKASFNRYFSLGZ-UHFFFAOYSA-N 0 0 311.345 2.388 10 30 DEEERN C=C(C)C[C@@H](NCc1cc(C(F)(F)F)nn1C)C(=O)OC ZINC000602738369 360528477 /nfs/dbraw/zinc/52/84/77/360528477.db2.gz JHWISVZBJOWVPR-SNVBAGLBSA-N 0 0 305.300 2.036 10 30 DEEERN C=C(C)C[C@H](NCc1ccc(C(=O)OC)c(F)c1)C(=O)OC ZINC000602738016 360528834 /nfs/dbraw/zinc/52/88/34/360528834.db2.gz FZNMXGJGHBBEQE-AWEZNQCLSA-N 0 0 309.337 2.210 10 30 DEEERN CC#CC[C@H](CO)NC(=O)Nc1ccccc1CCSC ZINC000603084102 360693818 /nfs/dbraw/zinc/69/38/18/360693818.db2.gz HTLIBWZUFIMIIX-CQSZACIVSA-N 0 0 306.431 2.488 10 30 DEEERN COCc1ccc(S(=O)(=O)NCC2CCC(C#N)CC2)cc1 ZINC000443229532 238109847 /nfs/dbraw/zinc/10/98/47/238109847.db2.gz VOAOPLWEPVINAZ-UHFFFAOYSA-N 0 0 322.430 2.441 10 30 DEEERN C=CCCOCC(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000604955887 360945859 /nfs/dbraw/zinc/94/58/59/360945859.db2.gz SFEFKVVAFUNAQF-OAHLLOKOSA-N 0 0 318.417 2.373 10 30 DEEERN C=CCCOCC(=O)N[C@@H](Cc1nccn1C)c1ccccc1 ZINC000608208149 361183772 /nfs/dbraw/zinc/18/37/72/361183772.db2.gz IFSGRYVZMOQYQO-INIZCTEOSA-N 0 0 313.401 2.413 10 30 DEEERN N#Cc1ccc(CNC(=O)c2c[nH]nc2-c2cccnc2)c(F)c1 ZINC000609322912 361299740 /nfs/dbraw/zinc/29/97/40/361299740.db2.gz YBMZNUKSSUPUDI-UHFFFAOYSA-N 0 0 321.315 2.412 10 30 DEEERN Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)CC3CC3)CC2)o1 ZINC000193247070 201012945 /nfs/dbraw/zinc/01/29/45/201012945.db2.gz IUASCLUIAPQELY-NSHDSACASA-N 0 0 316.405 2.376 10 30 DEEERN Cc1cccc(CCNC(=O)NCc2ccc(C#N)cc2F)n1 ZINC000619363130 363773259 /nfs/dbraw/zinc/77/32/59/363773259.db2.gz XLKFQLKYSIICDY-UHFFFAOYSA-N 0 0 312.348 2.443 10 30 DEEERN C=CC(C)(C)CCNC(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC000628313925 366806460 /nfs/dbraw/zinc/80/64/60/366806460.db2.gz GZVTVQMBGIHLAY-UHFFFAOYSA-N 0 0 310.344 2.413 10 30 DEEERN C=CC(C)(C)CCNC(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000628318128 366807295 /nfs/dbraw/zinc/80/72/95/366807295.db2.gz PMMXNMRMABGGMN-CQSZACIVSA-N 0 0 302.374 2.495 10 30 DEEERN C=CCOCCCC(=O)NC[C@@]1(C)COc2ccccc2O1 ZINC000628325456 366811813 /nfs/dbraw/zinc/81/18/13/366811813.db2.gz NSQNEWDNCOPKIY-KRWDZBQOSA-N 0 0 305.374 2.316 10 30 DEEERN C=C(C)[C@H](CC(=O)NC[C@H](n1cccn1)C(F)(F)F)OCC ZINC000628331518 366815198 /nfs/dbraw/zinc/81/51/98/366815198.db2.gz PBHPDZNOOQJJIO-RYUDHWBXSA-N 0 0 319.327 2.474 10 30 DEEERN Cc1csc(C2(NC(=O)c3cc(C#N)cn3C)CCC2)n1 ZINC000610577467 361425920 /nfs/dbraw/zinc/42/59/20/361425920.db2.gz BVTKLVVELJJURI-UHFFFAOYSA-N 0 0 300.387 2.471 10 30 DEEERN N#Cc1ccc(CNC(=O)N2CC[C@@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000611004415 361511962 /nfs/dbraw/zinc/51/19/62/361511962.db2.gz IABGMMBJOFLAMS-CABCVRRESA-N 0 0 317.364 2.265 10 30 DEEERN C[C@H](O)[C@](C)(CNC(=O)c1ccnc(C#N)c1)Cc1ccccc1 ZINC000194346084 201207926 /nfs/dbraw/zinc/20/79/26/201207926.db2.gz GXDZTTDGNOFNEH-LIRRHRJNSA-N 0 0 323.396 2.313 10 30 DEEERN C=CCCOCCNC(=O)Nc1cccc(C(=O)OC)c1C ZINC000611140529 361534012 /nfs/dbraw/zinc/53/40/12/361534012.db2.gz JDWFALQPOOOFGJ-UHFFFAOYSA-N 0 0 306.362 2.496 10 30 DEEERN COC1(C)CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000611395946 361590567 /nfs/dbraw/zinc/59/05/67/361590567.db2.gz DDYKQGKIHCFDPM-UHFFFAOYSA-N 0 0 305.353 2.408 10 30 DEEERN C=CCOCCNC(=O)N(CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000611564406 361632108 /nfs/dbraw/zinc/63/21/08/361632108.db2.gz YHBOZCQHEOPSDV-UHFFFAOYSA-N 0 0 319.361 2.495 10 30 DEEERN CCO[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000611538522 361625749 /nfs/dbraw/zinc/62/57/49/361625749.db2.gz RXPIZMLWIJFHMC-GUYCJALGSA-N 0 0 324.421 2.276 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](COC)c1ccc(Cl)cc1 ZINC000194643150 201267170 /nfs/dbraw/zinc/26/71/70/201267170.db2.gz HIJUHLHMADXRAX-ZIAGYGMSSA-N 0 0 312.797 2.264 10 30 DEEERN C[C@H](C#N)CNC(=O)N[C@H](Cc1nccn1C)c1ccccc1 ZINC000611626200 361648139 /nfs/dbraw/zinc/64/81/39/361648139.db2.gz CMCKKCSMMUIGGY-UKRRQHHQSA-N 0 0 311.389 2.163 10 30 DEEERN CCN(C[C@@H](C)C#N)c1ncncc1I ZINC000090780642 192933488 /nfs/dbraw/zinc/93/34/88/192933488.db2.gz ZJHVUACFHUBFIJ-QMMMGPOBSA-N 0 0 316.146 2.067 10 30 DEEERN C=C[C@@H](N[C@@H](C)c1nc(C)c(C(=O)OCC)s1)C(=O)OC ZINC000619701943 363859987 /nfs/dbraw/zinc/85/99/87/363859987.db2.gz ANVQRXUBEFUVAU-VHSXEESVSA-N 0 0 312.391 2.006 10 30 DEEERN C[C@@H](C(=O)Nc1nc(C2CCC2)cs1)n1cnc(C#N)n1 ZINC000619599868 363837266 /nfs/dbraw/zinc/83/72/66/363837266.db2.gz JIOUQHVJHDNLST-QMMMGPOBSA-N 0 0 302.363 2.073 10 30 DEEERN C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000619966389 363921475 /nfs/dbraw/zinc/92/14/75/363921475.db2.gz JICBKMQSFBGRFW-HUUCEWRRSA-N 0 0 306.450 2.348 10 30 DEEERN C=C(C)[C@@H](CC(=O)NCC1(O)CCC(F)(F)CC1)OCC ZINC000620323187 364016069 /nfs/dbraw/zinc/01/60/69/364016069.db2.gz KISREWMKJYMQFB-GFCCVEGCSA-N 0 0 305.365 2.414 10 30 DEEERN C=CCC1(C(=O)N2CCOc3ccc(O)cc3C2)CCOCC1 ZINC000620347177 364020590 /nfs/dbraw/zinc/02/05/90/364020590.db2.gz QMSHOCFREZMCLR-UHFFFAOYSA-N 0 0 317.385 2.486 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000628484229 366864132 /nfs/dbraw/zinc/86/41/32/366864132.db2.gz HOOWTYHCOIRNDF-GFCCVEGCSA-N 0 0 308.403 2.096 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cnc3sc(C)cn3c2=O)C1 ZINC000628489903 366865099 /nfs/dbraw/zinc/86/50/99/366865099.db2.gz KQGMXPPCOVFGHM-LLVKDONJSA-N 0 0 303.387 2.103 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)C1 ZINC000628489398 366865212 /nfs/dbraw/zinc/86/52/12/366865212.db2.gz VUQDDWPNVQZFJA-ZIAGYGMSSA-N 0 0 311.389 2.326 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CCNC(=O)c2ccc(C)cc2O)C1 ZINC000628489835 366865227 /nfs/dbraw/zinc/86/52/27/366865227.db2.gz IVIYRSGLKKNYLZ-AWEZNQCLSA-N 0 0 316.401 2.245 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)C1 ZINC000628492550 366866818 /nfs/dbraw/zinc/86/68/18/366866818.db2.gz XGUWGVPKUNFIRN-IUDNXUCKSA-N 0 0 304.434 2.496 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc2c(cccc2F)n1C ZINC000622827027 364805507 /nfs/dbraw/zinc/80/55/07/364805507.db2.gz AJKGHINOSQCHHE-LBPRGKRZSA-N 0 0 318.352 2.122 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc2c(cccc2F)n1C ZINC000622827026 364806063 /nfs/dbraw/zinc/80/60/63/364806063.db2.gz AJKGHINOSQCHHE-GFCCVEGCSA-N 0 0 318.352 2.122 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ncccc3F)C2)C1 ZINC000623742478 365156743 /nfs/dbraw/zinc/15/67/43/365156743.db2.gz SATAMCLQFBQRFC-UONOGXRCSA-N 0 0 318.396 2.407 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2ncn(-c3ccccc3)n2)C1 ZINC000624131533 365300686 /nfs/dbraw/zinc/30/06/86/365300686.db2.gz QOTTXUHSYXQYMW-AWEZNQCLSA-N 0 0 311.389 2.375 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)C1 ZINC000624182150 365322547 /nfs/dbraw/zinc/32/25/47/365322547.db2.gz SDFHVPMCRJHZGM-QLFBSQMISA-N 0 0 318.421 2.248 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCC2(CC(N)=O)CCCCC2)C1 ZINC000624389730 365406147 /nfs/dbraw/zinc/40/61/47/365406147.db2.gz IYZNVCQDHRCPTQ-CQSZACIVSA-N 0 0 307.438 2.420 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1C[C@H](C)S(=O)(=O)[C@@H](CC)C1 ZINC000624462745 365429724 /nfs/dbraw/zinc/42/97/24/365429724.db2.gz BSUOLJKISXYQLI-STQMWFEESA-N 0 0 316.467 2.196 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](CCc1ccccc1)C(F)F ZINC000624619764 365492240 /nfs/dbraw/zinc/49/22/40/365492240.db2.gz LDVHFGFIEVKNPC-KGLIPLIRSA-N 0 0 312.360 2.489 10 30 DEEERN Cn1c(C#N)ccc1C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000449837820 241143927 /nfs/dbraw/zinc/14/39/27/241143927.db2.gz CBSORCJEZKCDDI-UHFFFAOYSA-N 0 0 300.343 2.125 10 30 DEEERN C=CCSc1ccccc1C(=O)NC[C@H]1COCCN1C ZINC000628914414 367011898 /nfs/dbraw/zinc/01/18/98/367011898.db2.gz JGHBPXFOODISDG-ZDUSSCGKSA-N 0 0 306.431 2.025 10 30 DEEERN C=CCCn1cc(C(=O)Nc2ccc(COC)c(OC)c2)nn1 ZINC000629503275 367227885 /nfs/dbraw/zinc/22/78/85/367227885.db2.gz WBOHWQGDYXFRPW-UHFFFAOYSA-N 0 0 316.361 2.262 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCOc2cc(F)ccc2C1 ZINC000629852143 367352045 /nfs/dbraw/zinc/35/20/45/367352045.db2.gz MLQWYOQVOJERAB-HNNXBMFYSA-N 0 0 320.364 2.018 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000629654127 367287235 /nfs/dbraw/zinc/28/72/35/367287235.db2.gz BKGRNDUUSRTRLP-NVXWUHKLSA-N 0 0 316.401 2.179 10 30 DEEERN C=C[C@@H](O)C(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC000629739627 367322031 /nfs/dbraw/zinc/32/20/31/367322031.db2.gz DQDVSNKHMQHWAO-GFCCVEGCSA-N 0 0 314.154 2.020 10 30 DEEERN CCOC(=O)[C@@H]1CN(c2cccc(Cl)c2C#N)CC12COC2 ZINC000450561240 241955580 /nfs/dbraw/zinc/95/55/80/241955580.db2.gz LMRXEXMFHQFACQ-LBPRGKRZSA-N 0 0 320.776 2.228 10 30 DEEERN CCSc1cc(CNC(=O)c2ccc(C#N)n2C)ccn1 ZINC000450803016 242242354 /nfs/dbraw/zinc/24/23/54/242242354.db2.gz JCTHVDGVYGECTK-UHFFFAOYSA-N 0 0 300.387 2.334 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450845889 242299360 /nfs/dbraw/zinc/29/93/60/242299360.db2.gz OBZPHCNYKLOLQQ-SECBINFHSA-N 0 0 318.251 2.280 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cc(F)c(OC)cc2OC)C1=O ZINC000630515783 367700975 /nfs/dbraw/zinc/70/09/75/367700975.db2.gz JDZGDUQGKYUCNJ-SNVBAGLBSA-N 0 0 308.309 2.234 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cc(F)c(OC)cc2OC)C1=O ZINC000630515781 367700998 /nfs/dbraw/zinc/70/09/98/367700998.db2.gz JDZGDUQGKYUCNJ-JTQLQIEISA-N 0 0 308.309 2.234 10 30 DEEERN C=CCOc1cccc(N2C(=O)N3C[C@H](OC)C[C@]3(C)C2=O)c1 ZINC000630504519 367694731 /nfs/dbraw/zinc/69/47/31/367694731.db2.gz JSEPGAVYAGIJPQ-RHSMWYFYSA-N 0 0 316.357 2.197 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2ccc3oc(N(C)C)nc3c2)C1=O ZINC000630507484 367695935 /nfs/dbraw/zinc/69/59/35/367695935.db2.gz XNEQBNBCSZIODI-LBPRGKRZSA-N 0 0 314.345 2.285 10 30 DEEERN CN(c1cccc(N)c1)S(=O)(=O)c1ccc(CC#N)cc1 ZINC000092130575 193165973 /nfs/dbraw/zinc/16/59/73/193165973.db2.gz LEAUWXPZCBKJLH-UHFFFAOYSA-N 0 0 301.371 2.160 10 30 DEEERN Cc1ccc(N)cc1NS(=O)(=O)c1ccc(CC#N)cc1 ZINC000092130555 193166150 /nfs/dbraw/zinc/16/61/50/193166150.db2.gz KMWHLNOUUMNGEK-UHFFFAOYSA-N 0 0 301.371 2.444 10 30 DEEERN CCN(CC(F)(F)F)S(=O)(=O)c1ccc(CC#N)cc1 ZINC000092131798 193166612 /nfs/dbraw/zinc/16/66/12/193166612.db2.gz MAKPLPHELVOVIL-UHFFFAOYSA-N 0 0 306.309 2.326 10 30 DEEERN C=C1CC(C)(C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)C1 ZINC000630710591 367805997 /nfs/dbraw/zinc/80/59/97/367805997.db2.gz JETLGWPHIVPGAC-UHFFFAOYSA-N 0 0 318.339 2.260 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccccc2Cn2ccnc2)C1=O ZINC000630965246 367940009 /nfs/dbraw/zinc/94/00/09/367940009.db2.gz OYLBILPLICIBPN-MRXNPFEDSA-N 0 0 324.384 2.318 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCCc2nc3ccccc3[nH]2)C1=O ZINC000630970603 367942476 /nfs/dbraw/zinc/94/24/76/367942476.db2.gz OHVUKGLGYOJKPR-CQSZACIVSA-N 0 0 312.373 2.382 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2cn(CCCC)nc2C)C1=O ZINC000630979880 367948527 /nfs/dbraw/zinc/94/85/27/367948527.db2.gz UYBWZELNDYOIJT-CQSZACIVSA-N 0 0 304.394 2.378 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@H](c2ccnn2C)C(C)C)C1=O ZINC000630983944 367949500 /nfs/dbraw/zinc/94/95/00/367949500.db2.gz XUSOMBKUNZMPRC-STQMWFEESA-N 0 0 304.394 2.046 10 30 DEEERN CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(F)F ZINC000452268609 244089736 /nfs/dbraw/zinc/08/97/36/244089736.db2.gz YEYLHYHNIKCQSW-XPTSAGLGSA-N 0 0 304.337 2.408 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC1CCC(CS(C)(=O)=O)CC1 ZINC000452277873 244099150 /nfs/dbraw/zinc/09/91/50/244099150.db2.gz QCBBURMLRJTIHC-HSBZDZAISA-N 0 0 301.452 2.308 10 30 DEEERN C=CCN(CCO)Cc1cc(Br)c(OC)s1 ZINC000093511868 193262014 /nfs/dbraw/zinc/26/20/14/193262014.db2.gz NEQLQGBWKGBRLC-UHFFFAOYSA-N 0 0 306.225 2.500 10 30 DEEERN CCCN[C@@]1(C#N)CCC[C@H](Sc2nc(C)cc(=O)[nH]2)C1 ZINC000093746979 193299956 /nfs/dbraw/zinc/29/99/56/193299956.db2.gz JAOPPFFFLHGPDZ-WFASDCNBSA-N 0 0 306.435 2.375 10 30 DEEERN N#C[C@@]1(NC2CC2)CC[C@@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093806745 193309479 /nfs/dbraw/zinc/30/94/79/193309479.db2.gz QMVURXTYBXIPEQ-QMTHXVAHSA-N 0 0 300.391 2.012 10 30 DEEERN CCN(Cc1ccncc1)C(=O)c1csc(C#CCO)c1 ZINC000093974318 193332529 /nfs/dbraw/zinc/33/25/29/193332529.db2.gz ITWGVBVLTHJTFI-UHFFFAOYSA-N 0 0 300.383 2.149 10 30 DEEERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1csc(C#CCO)c1 ZINC000093974118 193332544 /nfs/dbraw/zinc/33/25/44/193332544.db2.gz PRPKQYISICCQCN-UHFFFAOYSA-N 0 0 302.311 2.252 10 30 DEEERN CN[C@@H](C#N)COc1c(C)cc(Br)cc1[N+](=O)[O-] ZINC000094296716 193356545 /nfs/dbraw/zinc/35/65/45/193356545.db2.gz GXXHPLTZMVGILG-VIFPVBQESA-N 0 0 314.139 2.156 10 30 DEEERN C=CCN1C(=O)N=C(N)[C@H]1c1ccc(OC)c(OC)c1Cl ZINC000094516423 193376412 /nfs/dbraw/zinc/37/64/12/193376412.db2.gz MZYMTKNRPKMJJB-LLVKDONJSA-N 0 0 309.753 2.377 10 30 DEEERN C#CCN1C(=O)N=C(N)[C@H]1c1ccc(Br)cc1F ZINC000094517039 193376818 /nfs/dbraw/zinc/37/68/18/193376818.db2.gz KNDZAXAPEXWFQE-SNVBAGLBSA-N 0 0 310.126 2.055 10 30 DEEERN Cc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)sc1C#CCCO ZINC000094533374 193377226 /nfs/dbraw/zinc/37/72/26/193377226.db2.gz NSOOOAYLKWGOFT-CHWSQXEVSA-N 0 0 307.415 2.040 10 30 DEEERN COC1CCN(C(=O)c2cc(C)c(C#CCCO)s2)CC1 ZINC000094533816 193377295 /nfs/dbraw/zinc/37/72/95/193377295.db2.gz TZVLEBFMZIWDFR-UHFFFAOYSA-N 0 0 307.415 2.041 10 30 DEEERN COc1cccc(CC(=O)NCC#Cc2ccccc2N(C)C)c1 ZINC000096350854 193615847 /nfs/dbraw/zinc/61/58/47/193615847.db2.gz ZNUPIQKRBPXZEJ-UHFFFAOYSA-N 0 0 322.408 2.472 10 30 DEEERN C=C(C)Cn1c(N(C)CCOCC)nnc1[C@@]1(C)CCCO1 ZINC000453466646 245156123 /nfs/dbraw/zinc/15/61/23/245156123.db2.gz PDEHBGDWZIFURA-MRXNPFEDSA-N 0 0 308.426 2.353 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000453741499 245268526 /nfs/dbraw/zinc/26/85/26/245268526.db2.gz POTBVGFNIJJMHO-UHFFFAOYSA-N 0 0 318.421 2.489 10 30 DEEERN C=CCNC(=O)NC(=O)[C@H](C)Nc1cc(C)c(OC)cc1C ZINC000278175868 214004630 /nfs/dbraw/zinc/00/46/30/214004630.db2.gz FITAOYLXVGXWJO-LBPRGKRZSA-N 0 0 305.378 2.124 10 30 DEEERN N#Cc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1 ZINC000015565379 182006507 /nfs/dbraw/zinc/00/65/07/182006507.db2.gz YTBQIXCTFFWYJZ-UHFFFAOYSA-N 0 0 314.366 2.361 10 30 DEEERN C=C1C(=O)O[C@@H]2[C@@H]3O[C@]3(C)CC/C=C(\C)C[C@@H](OC(C)=O)[C@@H]12 ZINC000016343433 182042062 /nfs/dbraw/zinc/04/20/62/182042062.db2.gz ODYJJNFWFYUXSS-SOZNHUOKSA-N 0 0 306.358 2.304 10 30 in-vitro DEEERN C=C(Br)CNS(=O)(=O)c1ccc(C)c(F)c1 ZINC000161416885 197493168 /nfs/dbraw/zinc/49/31/68/197493168.db2.gz MWKGGVLRWWDJCN-UHFFFAOYSA-N 0 0 308.172 2.321 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)c1nnc2ccccn21 ZINC000160103335 197386470 /nfs/dbraw/zinc/38/64/70/197386470.db2.gz ATYZMDCRKOHINS-GFCCVEGCSA-N 0 0 305.341 2.400 10 30 DEEERN Cc1cnn(C[C@H]2CN(CC#Cc3ccc(F)cc3)CCO2)c1 ZINC000159988116 197378447 /nfs/dbraw/zinc/37/84/47/197378447.db2.gz HRYRQTKKTRAFEO-GOSISDBHSA-N 0 0 313.376 2.083 10 30 DEEERN [NH3+][C@@H](CS)CNCc1cccc(-c2cccc(C(=O)[O-])c2)c1 ZINC000022938202 182343546 /nfs/dbraw/zinc/34/35/46/182343546.db2.gz JWMKVBCWBYQMRM-MRXNPFEDSA-N 0 0 316.426 2.399 10 30 DEEERN C=CCCOCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000458585547 248388162 /nfs/dbraw/zinc/38/81/62/248388162.db2.gz ILCSBMNDTYCXCH-OAGGEKHMSA-N 0 0 310.438 2.304 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000458609665 248398482 /nfs/dbraw/zinc/39/84/82/248398482.db2.gz CASPHCMJXNLYPN-NEPJUHHUSA-N 0 0 307.350 2.282 10 30 DEEERN C=C(CC)CNC(=O)N1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000459083412 248576846 /nfs/dbraw/zinc/57/68/46/248576846.db2.gz GWQJZZDFSCPJFD-GFCCVEGCSA-N 0 0 307.360 2.478 10 30 DEEERN C[C@H](N(C)S(=O)(=O)c1ccc(C#CCO)cc1)C(C)(C)C ZINC000042798023 183310452 /nfs/dbraw/zinc/31/04/52/183310452.db2.gz JXQXQQKXGQJKIY-ZDUSSCGKSA-N 0 0 309.431 2.086 10 30 DEEERN C=CCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000102346698 193877493 /nfs/dbraw/zinc/87/74/93/193877493.db2.gz GGXMRKGSKMXLFF-CQSZACIVSA-N 0 0 315.398 2.364 10 30 DEEERN CC(C)N(CCC#N)S(=O)(=O)c1c(N)cccc1Cl ZINC000045166253 183486644 /nfs/dbraw/zinc/48/66/44/183486644.db2.gz FUXKXPSYSWMUGR-UHFFFAOYSA-N 0 0 301.799 2.235 10 30 DEEERN C=CCNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1C[C@H]1C ZINC000045479948 183511124 /nfs/dbraw/zinc/51/11/24/183511124.db2.gz RRPZKXDWJJVDPZ-GHMZBOCLSA-N 0 0 318.373 2.214 10 30 DEEERN C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1c1cccc(F)c1C#N ZINC000284524936 218064348 /nfs/dbraw/zinc/06/43/48/218064348.db2.gz JGZVRQHKBDUMST-JQFCIGGWSA-N 0 0 304.365 2.454 10 30 DEEERN N#CCSCCCN1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000159460375 197355356 /nfs/dbraw/zinc/35/53/56/197355356.db2.gz FPLXSTMYSCBGTH-UONOGXRCSA-N 0 0 310.419 2.051 10 30 DEEERN CC(C)Oc1ccc(F)cc1NC(=O)N1CCO[C@H](C#N)C1 ZINC000106325152 194197031 /nfs/dbraw/zinc/19/70/31/194197031.db2.gz CFIPHXFNGOXBNC-GFCCVEGCSA-N 0 0 307.325 2.369 10 30 DEEERN Cc1cc(C#N)nc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1 ZINC000553190880 291735648 /nfs/dbraw/zinc/73/56/48/291735648.db2.gz NUJBFRDVPIXJSE-ZDUSSCGKSA-N 0 0 314.311 2.186 10 30 DEEERN COc1ccc(C#CCO)cc1NC(=O)c1scnc1C ZINC000049589076 183744477 /nfs/dbraw/zinc/74/44/77/183744477.db2.gz TZFPSVASGQKTFE-UHFFFAOYSA-N 0 0 302.355 2.056 10 30 DEEERN CC(=O)N[C@@H](CC(=O)Nc1ccc(C#N)cn1)c1ccccc1 ZINC000110288903 194320111 /nfs/dbraw/zinc/32/01/11/194320111.db2.gz SQECKGADLWLAJI-HNNXBMFYSA-N 0 0 308.341 2.159 10 30 DEEERN C=CC1CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)CC1 ZINC000110361270 194325114 /nfs/dbraw/zinc/32/51/14/194325114.db2.gz IKCGAKCCXZPNBZ-UHFFFAOYSA-N 0 0 317.780 2.354 10 30 DEEERN C=CCOc1ccccc1CNC(=O)[C@H](NC(=O)OC)C(C)C ZINC000110423364 194329366 /nfs/dbraw/zinc/32/93/66/194329366.db2.gz XAUDFXZRHUJKAM-OAHLLOKOSA-N 0 0 320.389 2.248 10 30 DEEERN CC[C@H](C)CNS(=O)(=O)c1cc(C#CCCO)ccc1C ZINC000054491283 183941600 /nfs/dbraw/zinc/94/16/00/183941600.db2.gz ODTOALNQMUARGD-ZDUSSCGKSA-N 0 0 309.431 2.053 10 30 DEEERN C[C@H](C#N)CN(C)C(=O)c1cc(N)c(F)cc1Br ZINC000061080015 184161532 /nfs/dbraw/zinc/16/15/32/184161532.db2.gz VDWCKWOAJXEFAX-SSDOTTSWSA-N 0 0 314.158 2.402 10 30 DEEERN Cc1nnsc1C(=O)Nc1cc(C#CCO)ccc1Cl ZINC000061691491 184183157 /nfs/dbraw/zinc/18/31/57/184183157.db2.gz DGVXZXMCJMHSPB-UHFFFAOYSA-N 0 0 307.762 2.096 10 30 DEEERN Cc1cccc(S(=O)(=O)CC(=O)Nc2cccc(C#N)c2)c1 ZINC000065522964 184359150 /nfs/dbraw/zinc/35/91/50/184359150.db2.gz LWQQVROEXZHMIT-UHFFFAOYSA-N 0 0 314.366 2.279 10 30 DEEERN C=C[C@H](C)NS(=O)(=O)c1cc(Br)cc(N)c1C ZINC000161979560 197534408 /nfs/dbraw/zinc/53/44/08/197534408.db2.gz LYCSQNQQVNPREZ-ZETCQYMHSA-N 0 0 319.224 2.193 10 30 DEEERN CN(C)c1ncccc1CNC(=O)c1c(F)cc(C#N)cc1F ZINC000120096418 195095608 /nfs/dbraw/zinc/09/56/08/195095608.db2.gz PUHMIQASHNXUAR-UHFFFAOYSA-N 0 0 316.311 2.227 10 30 DEEERN CNc1cc(N2CCC[C@H]2CNc2ccc(C)c(C#N)n2)ncn1 ZINC000302672074 533052982 /nfs/dbraw/zinc/05/29/82/533052982.db2.gz RWUWJWSKIHYMRO-ZDUSSCGKSA-N 0 0 323.404 2.174 10 30 DEEERN C#C[C@H](C)Nc1c(Br)cnn(CC2CCC2)c1=O ZINC000158997216 197318003 /nfs/dbraw/zinc/31/80/03/197318003.db2.gz SPONBHXAEBTJKH-VIFPVBQESA-N 0 0 310.195 2.240 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000158231162 197255283 /nfs/dbraw/zinc/25/52/83/197255283.db2.gz YDGSFOGUMYQJNL-LJQANCHMSA-N 0 0 321.380 2.211 10 30 DEEERN O=C(NCC(F)(F)F)Nc1cc(Cl)ccc1C#CCO ZINC000158098742 197244027 /nfs/dbraw/zinc/24/40/27/197244027.db2.gz QKQGXBOIOXCCSW-UHFFFAOYSA-N 0 0 306.671 2.368 10 30 DEEERN C#CCn1ncc(N[C@@H]2CC=CCC2)c(Br)c1=O ZINC000157938898 197229079 /nfs/dbraw/zinc/22/90/79/197229079.db2.gz VYIIMBZDTQZYMW-SNVBAGLBSA-N 0 0 308.179 2.160 10 30 DEEERN CCOC(=O)c1nnc(Oc2ccc(C#N)cc2OC)s1 ZINC000156636560 197129236 /nfs/dbraw/zinc/12/92/36/197129236.db2.gz ACWGXAZVLWNTJK-UHFFFAOYSA-N 0 0 305.315 2.387 10 30 DEEERN C[C@@H](NC(=O)[C@@H]1CCCCS1)c1cccc(C#CCO)c1 ZINC000156271932 197100649 /nfs/dbraw/zinc/10/06/49/197100649.db2.gz VFGAMGMKPLUOJI-CJNGLKHVSA-N 0 0 303.427 2.493 10 30 DEEERN COCC1=CCN(c2ncc(Br)cc2C#N)CC1 ZINC000294954401 533161461 /nfs/dbraw/zinc/16/14/61/533161461.db2.gz KOXRCCDYFJAAIG-UHFFFAOYSA-N 0 0 308.179 2.499 10 30 DEEERN COCCO[C@@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000189562017 533165262 /nfs/dbraw/zinc/16/52/62/533165262.db2.gz GACREOVNCGGFQX-MRXNPFEDSA-N 0 0 314.385 2.119 10 30 DEEERN CCN(C(=O)c1nc(C)c(C)[nH]c1=O)[C@H](C)c1ccc(C#N)cc1 ZINC000154867789 197000473 /nfs/dbraw/zinc/00/04/73/197000473.db2.gz FUQCNLNFHVHTKF-CYBMUJFWSA-N 0 0 324.384 2.482 10 30 DEEERN Cn1ccnc1C[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000120369256 195153109 /nfs/dbraw/zinc/15/31/09/195153109.db2.gz NOJAKAZJHRUJBE-HNNXBMFYSA-N 0 0 308.385 2.387 10 30 DEEERN C=CCO[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)Cc1ccccc1 ZINC000253371802 257106459 /nfs/dbraw/zinc/10/64/59/257106459.db2.gz CJZBVWQPZRVEHL-NUJGCVRESA-N 0 0 301.386 2.190 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000121064915 195289175 /nfs/dbraw/zinc/28/91/75/195289175.db2.gz UPWOAZUPZNBLGX-UHFFFAOYSA-N 0 0 321.384 2.373 10 30 DEEERN C#CCN(C(=O)N[C@H]1CCCn2nc(C)nc21)C1CCCC1 ZINC000124167164 195612073 /nfs/dbraw/zinc/61/20/73/195612073.db2.gz KUDDZCTTWAQUDJ-AWEZNQCLSA-N 0 0 301.394 2.009 10 30 DEEERN CC(C)(C)CCNS(=O)(=O)c1ccccc1C#CCCO ZINC000124346673 195630724 /nfs/dbraw/zinc/63/07/24/195630724.db2.gz NJDSFSSEURGLOZ-UHFFFAOYSA-N 0 0 309.431 2.135 10 30 DEEERN CS(=O)(=O)c1ccc(CNc2cc(C#N)ccc2N)cc1 ZINC000124414865 195639031 /nfs/dbraw/zinc/63/90/31/195639031.db2.gz RDYQCQRPVXDAER-UHFFFAOYSA-N 0 0 301.371 2.156 10 30 DEEERN CS(=O)(=O)c1ccc(CNc2ccc(N)c(C#N)c2)cc1 ZINC000127681852 195900473 /nfs/dbraw/zinc/90/04/73/195900473.db2.gz VZFSWDUFEYCNMT-UHFFFAOYSA-N 0 0 301.371 2.156 10 30 DEEERN N#Cc1cnccc1NCc1cccnc1OCC(F)(F)F ZINC000545239933 285406712 /nfs/dbraw/zinc/40/67/12/285406712.db2.gz WNYINXRNXLWUIP-UHFFFAOYSA-N 0 0 308.263 2.323 10 30 DEEERN CSCCCCNC(=O)C(=O)Nc1cccc(C)c1C#N ZINC000174919020 533554753 /nfs/dbraw/zinc/55/47/53/533554753.db2.gz JMIGETUCWKUGOB-UHFFFAOYSA-N 0 0 305.403 2.065 10 30 DEEERN N#Cc1ccnc(NC(=O)c2cnc(-c3ncccn3)s2)c1 ZINC000357406605 133075913 /nfs/dbraw/zinc/07/59/13/133075913.db2.gz FKZHOMRHKDJOAI-UHFFFAOYSA-N 0 0 308.326 2.119 10 30 DEEERN N#Cc1ccnc(NC(=O)c2cccc(N3CCCC3=O)c2)c1 ZINC000357411703 133076238 /nfs/dbraw/zinc/07/62/38/133076238.db2.gz ISPUCCSRGNQWHH-UHFFFAOYSA-N 0 0 306.325 2.332 10 30 DEEERN CN(c1ccccc1C#N)S(=O)(=O)c1c(N)cccc1F ZINC000128508558 195970605 /nfs/dbraw/zinc/97/06/05/195970605.db2.gz GAIPWPJPWJQHDA-UHFFFAOYSA-N 0 0 305.334 2.105 10 30 DEEERN C[C@@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)c1cccnc1 ZINC000183675165 144933051 /nfs/dbraw/zinc/93/30/51/144933051.db2.gz HRYYLFCJTQGXAD-GFCCVEGCSA-N 0 0 318.340 2.276 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)CCc2ccncc2)cn1 ZINC000184278447 144942634 /nfs/dbraw/zinc/94/26/34/144942634.db2.gz MZPQUWNITFQQOS-UHFFFAOYSA-N 0 0 318.340 2.105 10 30 DEEERN N#Cc1ccc(C(=O)Nc2cn(Cc3ccccc3)nn2)cc1 ZINC000188276007 145009231 /nfs/dbraw/zinc/00/92/31/145009231.db2.gz YVXJHHHBUIWCBO-UHFFFAOYSA-N 0 0 303.325 2.450 10 30 DEEERN CC[C@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CCN1CC(F)F ZINC000188745463 145016580 /nfs/dbraw/zinc/01/65/80/145016580.db2.gz RWGQVWNGEWYCNJ-ZDUSSCGKSA-N 0 0 323.343 2.065 10 30 DEEERN N#Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCCC2)ccn1 ZINC000192510491 145074780 /nfs/dbraw/zinc/07/47/80/145074780.db2.gz SFAYNLZTWPTDNR-UHFFFAOYSA-N 0 0 320.352 2.442 10 30 DEEERN COc1ccc([C@@H](C)NC(=O)c2ccnc(C#N)c2)cc1OC ZINC000192585476 145075452 /nfs/dbraw/zinc/07/54/52/145075452.db2.gz KHLIFLCRPJOXOO-LLVKDONJSA-N 0 0 311.341 2.461 10 30 DEEERN COc1ccccc1O[C@H](C)CNC(=O)c1ccnc(C#N)c1 ZINC000193380280 145085812 /nfs/dbraw/zinc/08/58/12/145085812.db2.gz YUILPWGHUARYQV-GFCCVEGCSA-N 0 0 311.341 2.159 10 30 DEEERN N#Cc1cccc(C#N)c1N1CCC[C@H](c2ccnc(N)n2)C1 ZINC000193535531 145087249 /nfs/dbraw/zinc/08/72/49/145087249.db2.gz BNFFBUVQTQYZEH-AWEZNQCLSA-N 0 0 304.357 2.186 10 30 DEEERN COC(=O)c1scc(C)c1NC(=O)c1ccnc(C#N)c1 ZINC000193747374 145089850 /nfs/dbraw/zinc/08/98/50/145089850.db2.gz JVSXCRBEYUBQHG-UHFFFAOYSA-N 0 0 301.327 2.362 10 30 DEEERN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000246979891 145121434 /nfs/dbraw/zinc/12/14/34/145121434.db2.gz KVEOBIKPKBRQET-UKRRQHHQSA-N 0 0 323.400 2.108 10 30 DEEERN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H]1c1cnn(C)c1 ZINC000247646385 145142593 /nfs/dbraw/zinc/14/25/93/145142593.db2.gz ULFHUYGJGBBDIA-DYVFJYSZSA-N 0 0 323.400 2.456 10 30 DEEERN CO[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)CC[C@H]1C ZINC000251938182 145197761 /nfs/dbraw/zinc/19/77/61/145197761.db2.gz ULAUSMIETBITKO-KWCYVHTRSA-N 0 0 319.430 2.082 10 30 DEEERN N#Cc1cnn(CC(=O)Nc2ccccc2Br)c1 ZINC000310804572 145353034 /nfs/dbraw/zinc/35/30/34/145353034.db2.gz FFAGVTIQGNHMAS-UHFFFAOYSA-N 0 0 305.135 2.156 10 30 DEEERN CSCCCN(C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000336829927 145399428 /nfs/dbraw/zinc/39/94/28/145399428.db2.gz JHZGZQNZNYWHCX-UHFFFAOYSA-N 0 0 312.460 2.017 10 30 DEEERN CCOC(=O)c1ccc(C#N)c(S[C@H](C(=O)OC)C2CC2)n1 ZINC000358927080 147232335 /nfs/dbraw/zinc/23/23/35/147232335.db2.gz VMTUFFKGMHDTMV-LBPRGKRZSA-N 0 0 320.370 2.174 10 30 DEEERN N#Cc1csc(CNCc2cccc(N3CCOCC3)n2)c1 ZINC000359155575 147272002 /nfs/dbraw/zinc/27/20/02/147272002.db2.gz QJJUOSUOFBEHCG-UHFFFAOYSA-N 0 0 314.414 2.141 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CCOC[C@H]2CC(F)F)cc1 ZINC000297180672 404487567 /nfs/dbraw/zinc/48/75/67/404487567.db2.gz ASZRWOFLUPOXFY-CQSZACIVSA-N 0 0 308.328 2.234 10 30 DEEERN Cn1cc2c(n1)CCC[C@H]2NC(=O)NCCc1cccc(C#N)c1 ZINC000370697721 148046401 /nfs/dbraw/zinc/04/64/01/148046401.db2.gz LYBZGYGCCVZWKD-MRXNPFEDSA-N 0 0 323.400 2.211 10 30 DEEERN N#Cc1ccsc1C(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000375024774 148318440 /nfs/dbraw/zinc/31/84/40/148318440.db2.gz RDRBSHMBBMGYCY-UHFFFAOYSA-N 0 0 302.330 2.102 10 30 DEEERN Cc1cc(C)c(C#N)c(N2CCC[C@H](C(=O)N3CCCC3)C2)n1 ZINC000408123374 148565968 /nfs/dbraw/zinc/56/59/68/148565968.db2.gz GFCHCCJEOKXBMS-HNNXBMFYSA-N 0 0 312.417 2.409 10 30 DEEERN N#Cc1cc(N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)nc2ccccc12 ZINC000408172708 148571282 /nfs/dbraw/zinc/57/12/82/148571282.db2.gz ZRYNFBSJFYCKQH-CGTJXYLNSA-N 0 0 323.396 2.473 10 30 DEEERN CCOCCN1CCN(C(=O)C2(C#N)CCCCC2)C[C@@H]1CC ZINC000116771846 286083556 /nfs/dbraw/zinc/08/35/56/286083556.db2.gz BKYWGOUATQSCHI-INIZCTEOSA-N 0 0 321.465 2.420 10 30 DEEERN Cn1c(COc2ccccc2)nnc1Sc1cnc(C#N)cn1 ZINC000127496234 401737643 /nfs/dbraw/zinc/73/76/43/401737643.db2.gz QRSATOOOIMXGAZ-UHFFFAOYSA-N 0 0 324.369 2.207 10 30 DEEERN S=C(N/N=C/c1ccc2c(c1)OCO2)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000001048077 401703905 /nfs/dbraw/zinc/70/39/05/401703905.db2.gz CIPLAOCVPWWWNA-LRRQUWBTSA-N 0 0 317.414 2.402 10 30 DEEERN CC1(C)CO[C@@H](c2ccccc2)CN1S(=O)(=O)CCCC#N ZINC000111338645 401712021 /nfs/dbraw/zinc/71/20/21/401712021.db2.gz QGASJJFTBKAZMB-OAHLLOKOSA-N 0 0 322.430 2.472 10 30 DEEERN C=CCc1cc(CNC(=O)NCC[C@@H](C)O)cc(OC)c1OC ZINC000114827196 401811742 /nfs/dbraw/zinc/81/17/42/401811742.db2.gz GBSJLYGEMVBWIY-GFCCVEGCSA-N 0 0 322.405 2.002 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1sccc1C(=O)OCC ZINC000076312488 401790227 /nfs/dbraw/zinc/79/02/27/401790227.db2.gz LTUZUQRKHBUBAJ-UHFFFAOYSA-N 0 0 324.402 2.288 10 30 DEEERN Cc1cc(S(C)(=O)=O)cc(C(=O)NC2(C#N)CCCC2)c1C ZINC000130147111 401820129 /nfs/dbraw/zinc/82/01/29/401820129.db2.gz WXKDYBZTGZOKRC-UHFFFAOYSA-N 0 0 320.414 2.273 10 30 DEEERN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@H](C)CO ZINC000077691712 401826397 /nfs/dbraw/zinc/82/63/97/401826397.db2.gz RRSHYWJFKZKJKU-VXGBXAGGSA-N 0 0 305.378 2.484 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(F)c(F)cc1F ZINC000077861783 401835404 /nfs/dbraw/zinc/83/54/04/401835404.db2.gz ZYNXBWQKJDXAHF-UHFFFAOYSA-N 0 0 300.280 2.467 10 30 DEEERN COc1ccc(CN2CCOC[C@H]2c2cccn2C)cc1C#N ZINC000131613246 401853436 /nfs/dbraw/zinc/85/34/36/401853436.db2.gz LNRDFGHFRNKAEJ-KRWDZBQOSA-N 0 0 311.385 2.479 10 30 DEEERN C=CCOc1ccc(C(=O)NCCn2cc(C)cn2)cc1OC ZINC000117819261 401885830 /nfs/dbraw/zinc/88/58/30/401885830.db2.gz CWYAFDFVAMLWFY-UHFFFAOYSA-N 0 0 315.373 2.195 10 30 DEEERN CN1CCCCC/C1=N\S(=O)(=O)/N=C1\CCCCCN1C ZINC000033985094 401892710 /nfs/dbraw/zinc/89/27/10/401892710.db2.gz CLZWGDBXUVFMRD-WXUKJITCSA-N 0 0 314.455 2.040 10 30 DEEERN C=CCNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1C[C@H]1C ZINC000045479944 401958134 /nfs/dbraw/zinc/95/81/34/401958134.db2.gz RRPZKXDWJJVDPZ-MNOVXSKESA-N 0 0 318.373 2.214 10 30 DEEERN CCOC(=O)CC[C@@H](C)NC(=O)CCc1ccc(C#N)cc1 ZINC000089804993 401965199 /nfs/dbraw/zinc/96/51/99/401965199.db2.gz MGHIHNTWTFNYHQ-CYBMUJFWSA-N 0 0 302.374 2.339 10 30 DEEERN COC(=O)CCCCCNC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000047012094 401977614 /nfs/dbraw/zinc/97/76/14/401977614.db2.gz USTRSGGDTDEZRW-UHFFFAOYSA-N 0 0 317.389 2.433 10 30 DEEERN Cc1cccn2c1ncc(C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)c2=O ZINC000091056684 401991989 /nfs/dbraw/zinc/99/19/89/401991989.db2.gz GRXIYYCPNRCWBP-XIKOKIGWSA-N 0 0 324.384 2.205 10 30 DEEERN N#Cc1ccc(SCC(=O)N[C@H]2CCCC[C@@H]2CO)cc1 ZINC000151121919 402017529 /nfs/dbraw/zinc/01/75/29/402017529.db2.gz XSYRFPYMOBCIBC-HIFRSBDPSA-N 0 0 304.415 2.318 10 30 DEEERN COCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(C#N)cc1 ZINC000151191736 402022220 /nfs/dbraw/zinc/02/22/20/402022220.db2.gz ZGMWWITWZQWDGQ-IUODEOHRSA-N 0 0 311.389 2.482 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@@H]([S@@](=O)c2ncccc2C#N)C1 ZINC000095083395 402024455 /nfs/dbraw/zinc/02/44/55/402024455.db2.gz AILLNDHSVSZWQJ-IPQOISQHSA-N 0 0 321.402 2.070 10 30 DEEERN C#CCOc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000151510482 402040029 /nfs/dbraw/zinc/04/00/29/402040029.db2.gz WJNUOAKHYYVUNA-VQIMIIECSA-N 0 0 313.397 2.466 10 30 DEEERN N#CCCN(CCC#N)C(=O)CN1CC=C(c2ccccc2)CC1 ZINC000052892596 402048277 /nfs/dbraw/zinc/04/82/77/402048277.db2.gz SVBZBYFJWBFQLB-UHFFFAOYSA-N 0 0 322.412 2.432 10 30 DEEERN C#CCCCCNC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000120958818 402009063 /nfs/dbraw/zinc/00/90/63/402009063.db2.gz RZJSPXZNSDIXGO-CQSZACIVSA-N 0 0 311.389 2.431 10 30 DEEERN CCCC(=O)NCC(=O)N(CCC)Cc1ccc(C#N)cc1 ZINC000054759089 402071309 /nfs/dbraw/zinc/07/13/09/402071309.db2.gz SYGUEIACQJJMGB-UHFFFAOYSA-N 0 0 301.390 2.213 10 30 DEEERN Cc1nn(C(C)(C)C)cc1[C@H](C)NS(=O)(=O)CCCC#N ZINC000152966808 402119708 /nfs/dbraw/zinc/11/97/08/402119708.db2.gz HKPWETGEQGLUGY-LBPRGKRZSA-N 0 0 312.439 2.231 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000066292141 402130445 /nfs/dbraw/zinc/13/04/45/402130445.db2.gz RACNJUJESDOISS-UHFFFAOYSA-N 0 0 314.263 2.208 10 30 DEEERN CS(=O)(=O)c1csc(C(=O)N(CC#N)C2CCCC2)c1 ZINC000153432329 402144584 /nfs/dbraw/zinc/14/45/84/402144584.db2.gz RSGXDUVNCHSECX-UHFFFAOYSA-N 0 0 312.416 2.060 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000153913496 402179672 /nfs/dbraw/zinc/17/96/72/402179672.db2.gz LOKSBEBXWXUSOI-KBPBESRZSA-N 0 0 314.389 2.426 10 30 DEEERN N#CC1(NC(=O)CCc2nc(-c3ccco3)no2)CCCC1 ZINC000124756932 402195399 /nfs/dbraw/zinc/19/53/99/402195399.db2.gz ZXVREDYNVLRXAN-UHFFFAOYSA-N 0 0 300.318 2.215 10 30 DEEERN CS[C@H](C)CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000153675678 402161970 /nfs/dbraw/zinc/16/19/70/402161970.db2.gz XHDUGESJBKUKAB-LLVKDONJSA-N 0 0 305.403 2.082 10 30 DEEERN N#Cc1ccccc1OCC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125498556 402235832 /nfs/dbraw/zinc/23/58/32/402235832.db2.gz RPWRYUJETOGRRS-UHFFFAOYSA-N 0 0 310.357 2.066 10 30 DEEERN CC#CCCSc1nc2ccccc2c(=O)n1CCCO ZINC000155051833 402243128 /nfs/dbraw/zinc/24/31/28/402243128.db2.gz XKZXUNCFZHYMOH-UHFFFAOYSA-N 0 0 302.399 2.284 10 30 DEEERN CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1Nc1cnc(C#N)cn1 ZINC000125653835 402243630 /nfs/dbraw/zinc/24/36/30/402243630.db2.gz YMPSHMKXFCPMQU-YPMHNXCESA-N 0 0 317.393 2.454 10 30 DEEERN Cc1ccccc1C(=O)NCC(=O)N[C@H](C#N)C1CCCCC1 ZINC000155189714 402248387 /nfs/dbraw/zinc/24/83/87/402248387.db2.gz ZYRWRAKYTIAOTF-MRXNPFEDSA-N 0 0 313.401 2.314 10 30 DEEERN C=C[C@H](CC(=O)N1CCC[C@H](NC(C)=O)C1)c1ccccc1 ZINC000155279528 402251419 /nfs/dbraw/zinc/25/14/19/402251419.db2.gz CRPOHJXDFBXAPX-WBVHZDCISA-N 0 0 300.402 2.473 10 30 DEEERN C#CCOCCC(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000155369475 402254517 /nfs/dbraw/zinc/25/45/17/402254517.db2.gz BFPDSHIMGGPPQC-CQSZACIVSA-N 0 0 311.385 2.398 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)NC[C@H](C)N1CCOCC1 ZINC000070060290 402256890 /nfs/dbraw/zinc/25/68/90/402256890.db2.gz XALPFSIWSZMGLG-INIZCTEOSA-N 0 0 323.481 2.485 10 30 DEEERN CC(=O)c1ccc(OCCCC(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000108832054 402262541 /nfs/dbraw/zinc/26/25/41/402262541.db2.gz ZYIFESUYSRFGOS-INIZCTEOSA-N 0 0 300.358 2.467 10 30 DEEERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C#N)C1CC1 ZINC000108830066 402262628 /nfs/dbraw/zinc/26/26/28/402262628.db2.gz BJRMGAIHQRMVLD-TVQRCGJNSA-N 0 0 305.359 2.494 10 30 DEEERN CCc1ccccc1N1C[C@H](C(=O)N[C@@H](C#N)C2CC2)CC1=O ZINC000108833743 402262649 /nfs/dbraw/zinc/26/26/49/402262649.db2.gz KPROWLZXTDMTSW-CABCVRRESA-N 0 0 311.385 2.020 10 30 DEEERN C[C@H]1CC(NC(=O)NCCOc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000159445574 402323990 /nfs/dbraw/zinc/32/39/90/402323990.db2.gz DFZNCEWUDXVIBZ-STQMWFEESA-N 0 0 317.389 2.192 10 30 DEEERN C[C@@H]1CC[C@@H](C(N)=O)CN1c1ccc(C#N)cc1Br ZINC000213309790 402279586 /nfs/dbraw/zinc/27/95/86/402279586.db2.gz KTRHPYWWVNKFOJ-MWLCHTKSSA-N 0 0 322.206 2.411 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2C=CCCC2)cn1 ZINC000184584695 402280274 /nfs/dbraw/zinc/28/02/74/402280274.db2.gz UITRCRNTTHZERU-ZDUSSCGKSA-N 0 0 308.345 2.369 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000109997267 402280428 /nfs/dbraw/zinc/28/04/28/402280428.db2.gz IDRHHQHVDCOBGZ-KBPBESRZSA-N 0 0 318.421 2.300 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000184612089 402283729 /nfs/dbraw/zinc/28/37/29/402283729.db2.gz KFQHISGNGWFJEH-CYBMUJFWSA-N 0 0 302.334 2.104 10 30 DEEERN CC(C)c1nc([C@@H]2CCCN2C(=O)c2cc(C#N)cn2C)no1 ZINC000176195519 402288888 /nfs/dbraw/zinc/28/88/88/402288888.db2.gz CAGNOVIIQKPAAN-LBPRGKRZSA-N 0 0 313.361 2.380 10 30 DEEERN C=C(C)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000156819675 402289205 /nfs/dbraw/zinc/28/92/05/402289205.db2.gz DELXCSJCGNUHGD-OKILXGFUSA-N 0 0 318.421 2.071 10 30 DEEERN CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(C#N)cc1 ZINC000220697722 402301805 /nfs/dbraw/zinc/30/18/05/402301805.db2.gz IWXZFRRXGBYUIA-IAGOWNOFSA-N 0 0 314.385 2.428 10 30 DEEERN O=C1NCCN1C1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177036854 402362172 /nfs/dbraw/zinc/36/21/72/402362172.db2.gz REMVKSJLIRUHPT-UHFFFAOYSA-N 0 0 317.820 2.181 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(OCc2ccccc2)nc1 ZINC000185911932 402388436 /nfs/dbraw/zinc/38/84/36/402388436.db2.gz YUDSNHWLTOQSRO-INIZCTEOSA-N 0 0 312.369 2.327 10 30 DEEERN Cc1nccn1C[C@@H]1CCCN1C(=O)Cc1ccc(C#N)cc1 ZINC000177186283 402379446 /nfs/dbraw/zinc/37/94/46/402379446.db2.gz MDURKKDQVZDILX-KRWDZBQOSA-N 0 0 308.385 2.297 10 30 DEEERN COc1ccc(CNc2cnn(-c3ncccc3C#N)c2)cc1O ZINC000185850902 402383020 /nfs/dbraw/zinc/38/30/20/402383020.db2.gz FIFIYOACSHRINV-UHFFFAOYSA-N 0 0 321.340 2.465 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N(C[C@@H]1CCCO1)c1ccncc1 ZINC000177396025 402397938 /nfs/dbraw/zinc/39/79/38/402397938.db2.gz CRDMVXNIQHUKSN-HNNXBMFYSA-N 0 0 310.357 2.118 10 30 DEEERN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C#N)C2CC2)cc1SC ZINC000161832303 402400772 /nfs/dbraw/zinc/40/07/72/402400772.db2.gz PIZVLGNYIARZJW-SNVBAGLBSA-N 0 0 321.358 2.357 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCc1c[nH]c2c1cccc2C ZINC000186289710 402418219 /nfs/dbraw/zinc/41/82/19/402418219.db2.gz BCRKUCMLXMLUHS-AWEZNQCLSA-N 0 0 301.390 2.255 10 30 DEEERN Cc1cc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c2cnn(C)c2n1 ZINC000177865459 402441748 /nfs/dbraw/zinc/44/17/48/402441748.db2.gz XCTHEMSFAXZNEZ-PIGZYNQJSA-N 0 0 311.389 2.479 10 30 DEEERN C=CCOc1cccc(NC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000163099563 402441845 /nfs/dbraw/zinc/44/18/45/402441845.db2.gz GVOONEQVWJJFDR-OLZOCXBDSA-N 0 0 317.389 2.417 10 30 DEEERN N#Cc1cccc(/C=C/C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)c1 ZINC000178553818 402510851 /nfs/dbraw/zinc/51/08/51/402510851.db2.gz IOUGDOBBEXLSBO-GXLYXMFMSA-N 0 0 304.349 2.346 10 30 DEEERN C=CC[C@H](C(=O)N1CCN([C@@H](CC)CO)CC1)c1ccccc1 ZINC000186989181 402476493 /nfs/dbraw/zinc/47/64/93/402476493.db2.gz VWHOQQQFXTVDHI-ROUUACIJSA-N 0 0 316.445 2.261 10 30 DEEERN Cc1cccc2[nH]cc(CCNS(=O)(=O)CC3(C#N)CC3)c21 ZINC000165862274 402479571 /nfs/dbraw/zinc/47/95/71/402479571.db2.gz FDAUTOXCHYLSGU-UHFFFAOYSA-N 0 0 317.414 2.242 10 30 DEEERN C#CCOc1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000178352811 402487939 /nfs/dbraw/zinc/48/79/39/402487939.db2.gz PNRKKFDLDLPRIX-MSOLQXFVSA-N 0 0 307.349 2.087 10 30 DEEERN CN1C[C@H](Nc2cccc(Br)c2C#N)CCC1=O ZINC000168553691 402496860 /nfs/dbraw/zinc/49/68/60/402496860.db2.gz HTLQWYHOSVKGQW-SECBINFHSA-N 0 0 308.179 2.353 10 30 DEEERN Cn1ccnc1-c1cc(NC(=O)c2cccc(CC#N)c2)n[nH]1 ZINC000179050914 402568077 /nfs/dbraw/zinc/56/80/77/402568077.db2.gz XGCUDYNDRCWLNZ-UHFFFAOYSA-N 0 0 306.329 2.129 10 30 DEEERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cccc(F)c1C#N ZINC000188259089 402518314 /nfs/dbraw/zinc/51/83/14/402518314.db2.gz DONHJVWUGQTSAI-JTQLQIEISA-N 0 0 314.364 2.409 10 30 DEEERN CC1(C)CC[C@H](CNC(=O)NCc2ccc(C#N)cc2F)O1 ZINC000188684210 402523682 /nfs/dbraw/zinc/52/36/82/402523682.db2.gz ODWTVMGBJWGVLY-CYBMUJFWSA-N 0 0 305.353 2.454 10 30 DEEERN CO[C@@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)CC[C@H]1C ZINC000189259936 402532547 /nfs/dbraw/zinc/53/25/47/402532547.db2.gz FOKTXKHFIWLMCX-QMTHXVAHSA-N 0 0 305.378 2.063 10 30 DEEERN C=CCN(CCOC)C(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000190199218 402583769 /nfs/dbraw/zinc/58/37/69/402583769.db2.gz KXAHMKVXWVOPCU-UHFFFAOYSA-N 0 0 306.406 2.396 10 30 DEEERN COc1ccc([C@@H](CC(=O)NCCCCC#N)NC(C)=O)cc1 ZINC000171503756 402589874 /nfs/dbraw/zinc/58/98/74/402589874.db2.gz JGIJLAWDPPJWIF-MRXNPFEDSA-N 0 0 317.389 2.073 10 30 DEEERN N#Cc1ccc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000179589986 402596003 /nfs/dbraw/zinc/59/60/03/402596003.db2.gz UFPVJDUKJJJCPB-UHFFFAOYSA-N 0 0 312.329 2.382 10 30 DEEERN C#CCCCC(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl ZINC000190650392 402615848 /nfs/dbraw/zinc/61/58/48/402615848.db2.gz DLFAFVOQHCEUST-OAHLLOKOSA-N 0 0 304.777 2.143 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccc(Cl)cn1 ZINC000180594104 402621016 /nfs/dbraw/zinc/62/10/16/402621016.db2.gz NWPLGJFOOIQTGT-UHFFFAOYSA-N 0 0 321.789 2.394 10 30 DEEERN CC(C)C(=O)NCCN(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181018880 402632891 /nfs/dbraw/zinc/63/28/91/402632891.db2.gz YILBXUJOWMJGNN-UHFFFAOYSA-N 0 0 313.401 2.086 10 30 DEEERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3c[nH]c(C#N)c3)cc2)n1 ZINC000180971215 402631666 /nfs/dbraw/zinc/63/16/66/402631666.db2.gz JDYPDDCWCNJJBW-UHFFFAOYSA-N 0 0 319.324 2.197 10 30 DEEERN C=CCSCCNC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000171905190 402632578 /nfs/dbraw/zinc/63/25/78/402632578.db2.gz ZOQMLIMAEKYRPE-NSHDSACASA-N 0 0 313.448 2.145 10 30 DEEERN C=CCN(CC=C)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181852516 402658833 /nfs/dbraw/zinc/65/88/33/402658833.db2.gz ZNKKXKQJGZZVNK-UHFFFAOYSA-N 0 0 306.309 2.463 10 30 DEEERN C=CC1CCN(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)CC1 ZINC000181753872 402656337 /nfs/dbraw/zinc/65/63/37/402656337.db2.gz YCVYNTJFNODXNP-AWEZNQCLSA-N 0 0 317.437 2.324 10 30 DEEERN C=CC[C@H](C)NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000173800461 402713546 /nfs/dbraw/zinc/71/35/46/402713546.db2.gz LVFWZEIYTMCQJM-ZDUSSCGKSA-N 0 0 301.390 2.015 10 30 DEEERN N#Cc1cc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)ccn1 ZINC000192669329 402743068 /nfs/dbraw/zinc/74/30/68/402743068.db2.gz DZPTWPJIRHDXEQ-CQSZACIVSA-N 0 0 306.369 2.210 10 30 DEEERN N#Cc1ccc(OCC[NH2+]Cc2nccn2CC(F)(F)F)cc1 ZINC000174562104 402747077 /nfs/dbraw/zinc/74/70/77/402747077.db2.gz LXENWZQEDZSTOG-UHFFFAOYSA-N 0 0 324.306 2.486 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000183427315 402766367 /nfs/dbraw/zinc/76/63/67/402766367.db2.gz AZMPZFLPPRSLRG-DGCLKSJQSA-N 0 0 320.389 2.467 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(Br)nc1C ZINC000183761260 402796111 /nfs/dbraw/zinc/79/61/11/402796111.db2.gz CSYFAUOSFZUGAA-VIFPVBQESA-N 0 0 314.183 2.211 10 30 DEEERN C[C@H]1CC[C@H](C)N(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000176003499 402847289 /nfs/dbraw/zinc/84/72/89/402847289.db2.gz CHIGFNUFVZAZMM-QWRGUYRKSA-N 0 0 303.337 2.283 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCOc1ccc(Cl)cn1 ZINC000278965138 402891059 /nfs/dbraw/zinc/89/10/59/402891059.db2.gz IKRGLCVHPPJLAW-TZMCWYRMSA-N 0 0 310.781 2.211 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCC([C@H](C)O)CC2)cc1OC ZINC000265429360 402918354 /nfs/dbraw/zinc/91/83/54/402918354.db2.gz FYYWUUYVCBGDAS-ZDUSSCGKSA-N 0 0 319.401 2.493 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000280531146 403009996 /nfs/dbraw/zinc/00/99/96/403009996.db2.gz RSPPGGDJWBHOQD-UHFFFAOYSA-N 0 0 314.345 2.066 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1C[C@H]1c1ccc(OCC)cc1 ZINC000280791294 403037231 /nfs/dbraw/zinc/03/72/31/403037231.db2.gz QZGSKPFODRZVOY-CWRNSKLLSA-N 0 0 304.390 2.177 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000274279540 403041341 /nfs/dbraw/zinc/04/13/41/403041341.db2.gz JWKSXYLEUAPQQT-CQSZACIVSA-N 0 0 303.406 2.137 10 30 DEEERN Cn1cc([C@]2(C)CN(c3ccc(Cl)c(C#N)n3)CCO2)cn1 ZINC000268394335 403079349 /nfs/dbraw/zinc/07/93/49/403079349.db2.gz NIXAAMTZBFKOGT-HNNXBMFYSA-N 0 0 317.780 2.092 10 30 DEEERN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCc2sccc2[C@H]1C ZINC000282956854 403164457 /nfs/dbraw/zinc/16/44/57/403164457.db2.gz VSEUPZDGTWVHAJ-WDEREUQCSA-N 0 0 313.448 2.003 10 30 DEEERN C=CCn1c(CC(C)C)nnc1N1CC[C@@](O)(C(F)(F)F)C1 ZINC000282351040 403145951 /nfs/dbraw/zinc/14/59/51/403145951.db2.gz SHTHXEMKGFREGV-ZDUSSCGKSA-N 0 0 318.343 2.166 10 30 DEEERN C=CCn1c(C)nnc1N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000282443369 403154433 /nfs/dbraw/zinc/15/44/33/403154433.db2.gz ZQGPDHRYKLEVER-CYBMUJFWSA-N 0 0 306.410 2.331 10 30 DEEERN C#CCCNC(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000282693381 403158597 /nfs/dbraw/zinc/15/85/97/403158597.db2.gz IROZOJPXROFAFW-UHFFFAOYSA-N 0 0 315.392 2.386 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000277359760 403208904 /nfs/dbraw/zinc/20/89/04/403208904.db2.gz GNQYGBSKHJBTQW-UHFFFAOYSA-N 0 0 321.380 2.086 10 30 DEEERN CC1(C)CCCN(C(=O)c2cc(-n3ccnc3)ccn2)[C@@H]1C#N ZINC000277635701 403239456 /nfs/dbraw/zinc/23/94/56/403239456.db2.gz XNGXNEJGVZUDLY-OAHLLOKOSA-N 0 0 309.373 2.422 10 30 DEEERN C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC000283691113 403215967 /nfs/dbraw/zinc/21/59/67/403215967.db2.gz TVCWOQSMGIPSES-ZDUSSCGKSA-N 0 0 304.394 2.121 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000277470476 403221105 /nfs/dbraw/zinc/22/11/05/403221105.db2.gz PPCUZHKKYDULBQ-UHFFFAOYSA-N 0 0 324.424 2.163 10 30 DEEERN C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)c1cc(C#N)ccn1 ZINC000285434213 403295985 /nfs/dbraw/zinc/29/59/85/403295985.db2.gz OZMLAEBMCSOVBT-ZVZYQTTQSA-N 0 0 313.401 2.499 10 30 DEEERN C#CCC(CC#C)C(=O)NCCCC(=O)N1Cc2ccccc2C1 ZINC000277645483 403240651 /nfs/dbraw/zinc/24/06/51/403240651.db2.gz KIPKZZDVOWETAM-UHFFFAOYSA-N 0 0 322.408 2.088 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000277854446 403264689 /nfs/dbraw/zinc/26/46/89/403264689.db2.gz YYFOPVVMVZRRHU-KRWDZBQOSA-N 0 0 324.424 2.443 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](CC)C(C)(C)O ZINC000298088400 403318475 /nfs/dbraw/zinc/31/84/75/403318475.db2.gz VZKYMDFCGGCSGM-HZPDHXFCSA-N 0 0 302.418 2.470 10 30 DEEERN C=CCN(CCC#N)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000292530031 403368722 /nfs/dbraw/zinc/36/87/22/403368722.db2.gz GEZFVAHGEVUFCZ-UHFFFAOYSA-N 0 0 319.308 2.191 10 30 DEEERN C=CC[C@H](CO)NC(=O)C1(Cc2cccc(F)c2)CCOCC1 ZINC000293364514 403453390 /nfs/dbraw/zinc/45/33/90/403453390.db2.gz BZIJEPJXBBWZAS-MRXNPFEDSA-N 0 0 321.392 2.218 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCc1ccc(OC)cc1OC ZINC000345725093 403456342 /nfs/dbraw/zinc/45/63/42/403456342.db2.gz QQWBECKSAGWKJN-RDJZCZTQSA-N 0 0 319.401 2.344 10 30 DEEERN CC(C)(C)[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)C[C@H]1O ZINC000286136455 403457214 /nfs/dbraw/zinc/45/72/14/403457214.db2.gz GDBPPKFFAIIIGP-TZMCWYRMSA-N 0 0 318.377 2.282 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)Cc1ccc(OC)c(C)c1 ZINC000298885846 403479805 /nfs/dbraw/zinc/47/98/05/403479805.db2.gz ZNKMPYQAMDLRSW-UHFFFAOYSA-N 0 0 318.417 2.387 10 30 DEEERN C=CCC[C@H](NC(=O)[C@@H](O)Cc1cnn(C)c1)c1ccccc1 ZINC000345893462 403522875 /nfs/dbraw/zinc/52/28/75/403522875.db2.gz SWEIPZWHIALMOA-IRXDYDNUSA-N 0 0 313.401 2.147 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CSc1nncs1 ZINC000286431637 403525482 /nfs/dbraw/zinc/52/54/82/403525482.db2.gz BQJRAXOCGOQTLX-CYBMUJFWSA-N 0 0 317.439 2.381 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCc1c(C)nn(C)c1C ZINC000286773772 403545354 /nfs/dbraw/zinc/54/53/54/403545354.db2.gz SZDSYBBLEVVNNQ-QGZVFWFLSA-N 0 0 324.428 2.471 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](CC(=O)OC)c1ccc(F)cc1 ZINC000287270416 403563775 /nfs/dbraw/zinc/56/37/75/403563775.db2.gz QVOVMAPUKWTNMH-INIZCTEOSA-N 0 0 315.344 2.209 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000346162033 403576056 /nfs/dbraw/zinc/57/60/56/403576056.db2.gz NZIGMMYHVRVDSK-SNVBAGLBSA-N 0 0 301.433 2.370 10 30 DEEERN C=CCO[C@@H]1CCN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)C1 ZINC000302133387 403708255 /nfs/dbraw/zinc/70/82/55/403708255.db2.gz HGZAHZOQWQVOPH-CQSZACIVSA-N 0 0 324.446 2.435 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](CCC(=O)OC)c1ccccc1 ZINC000287768183 403663040 /nfs/dbraw/zinc/66/30/40/403663040.db2.gz XTQVYCPIFGOHKY-QGZVFWFLSA-N 0 0 311.381 2.460 10 30 DEEERN C=CCO[C@H]1CCN(c2cc(N3CCC[C@H](C)C3)ncn2)C1 ZINC000302201633 403708961 /nfs/dbraw/zinc/70/89/61/403708961.db2.gz ZLJHZMDYWNOYPB-GJZGRUSLSA-N 0 0 302.422 2.494 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@H](C)Oc1cccc(F)c1 ZINC000287873665 403683097 /nfs/dbraw/zinc/68/30/97/403683097.db2.gz AWKNYVYLQABQRN-ZDUSSCGKSA-N 0 0 322.380 2.134 10 30 DEEERN C#CCNC(=O)c1ccc(NCc2nc(C)sc2C)nc1 ZINC000301823203 403685677 /nfs/dbraw/zinc/68/56/77/403685677.db2.gz CKXOKXASTXUTFF-UHFFFAOYSA-N 0 0 300.387 2.130 10 30 DEEERN C=C(CNC(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)c1ccccc1 ZINC000287952745 403698257 /nfs/dbraw/zinc/69/82/57/403698257.db2.gz HASDKONPGQFMJM-HOTGVXAUSA-N 0 0 320.433 2.157 10 30 DEEERN C=CCO[C@H]1CCN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)C1 ZINC000302133385 403707412 /nfs/dbraw/zinc/70/74/12/403707412.db2.gz HGZAHZOQWQVOPH-AWEZNQCLSA-N 0 0 324.446 2.435 10 30 DEEERN N#Cc1ccc(NCc2ccc(CN3CCOCC3)cc2)cn1 ZINC000301569865 403649578 /nfs/dbraw/zinc/64/95/78/403649578.db2.gz KQGZNNIKJKRFLB-UHFFFAOYSA-N 0 0 308.385 2.398 10 30 DEEERN C=CCOCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000340965712 403715713 /nfs/dbraw/zinc/71/57/13/403715713.db2.gz YAVXPORVGYXHGB-GOEBONIOSA-N 0 0 308.809 2.404 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CO)C1 ZINC000288112384 403726956 /nfs/dbraw/zinc/72/69/56/403726956.db2.gz JLUXHKZMTIGNII-SJORKVTESA-N 0 0 300.402 2.035 10 30 DEEERN C#CCC(CC#C)C(=O)N(CC(=O)N1CCCCCC1)C(C)C ZINC000288177961 403740740 /nfs/dbraw/zinc/74/07/40/403740740.db2.gz LFIFZXJYJSEVMI-UHFFFAOYSA-N 0 0 316.445 2.289 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cccc(-c2nnc(C)n2C)c1 ZINC000288275943 403744170 /nfs/dbraw/zinc/74/41/70/403744170.db2.gz SDIGMXYRUBAFMP-UHFFFAOYSA-N 0 0 306.369 2.392 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000288327000 403746210 /nfs/dbraw/zinc/74/62/10/403746210.db2.gz XXCVYINYGWRPQJ-BZZMCLGOSA-N 0 0 301.430 2.437 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)C[C@@H]1CCOC[C@H]1OC ZINC000295088021 403755619 /nfs/dbraw/zinc/75/56/19/403755619.db2.gz WIJWNQFMEGNSPD-BLLLJJGKSA-N 0 0 321.348 2.218 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1OC ZINC000347613963 403775905 /nfs/dbraw/zinc/77/59/05/403775905.db2.gz JFCSJYAEYCOTHX-GJZGRUSLSA-N 0 0 310.438 2.265 10 30 DEEERN C=CCN1CC[C@H](N2CCC(F)(c3ccccn3)CC2)C1=O ZINC000295350485 403875009 /nfs/dbraw/zinc/87/50/09/403875009.db2.gz NUOMUQDATDTNRI-AWEZNQCLSA-N 0 0 303.381 2.129 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cccc(C(=O)NCC)c1 ZINC000362538950 403963935 /nfs/dbraw/zinc/96/39/35/403963935.db2.gz BEDMICPJORCHQV-HOTGVXAUSA-N 0 0 316.401 2.034 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)C(=O)Nc1c(C)c(C)ccc1Cl ZINC000411589453 403905146 /nfs/dbraw/zinc/90/51/46/403905146.db2.gz NUJQUFGTDDPMOI-LBPRGKRZSA-N 0 0 324.808 2.339 10 30 DEEERN C#CCCN1CCN([C@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000362019196 403917633 /nfs/dbraw/zinc/91/76/33/403917633.db2.gz DDZYGLLTIVKUPS-OAHLLOKOSA-N 0 0 310.401 2.439 10 30 DEEERN CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]1CN(C)C(=O)c2ccccc21 ZINC000362796934 403989372 /nfs/dbraw/zinc/98/93/72/403989372.db2.gz XSBMEQRPMXWKOL-QAPCUYQASA-N 0 0 313.401 2.300 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000344276045 404025054 /nfs/dbraw/zinc/02/50/54/404025054.db2.gz ZMXJISHBPFUCTQ-INIZCTEOSA-N 0 0 315.369 2.072 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC000296006132 404048929 /nfs/dbraw/zinc/04/89/29/404048929.db2.gz OBYUBHKYWGBZIF-MELADBBJSA-N 0 0 306.410 2.319 10 30 DEEERN N#C[C@H]1CN(C(=O)C[C@H]2CCc3ccccc3C2)CCN1C1CC1 ZINC000363079520 404063401 /nfs/dbraw/zinc/06/34/01/404063401.db2.gz BATHKENEFZGCHI-KXBFYZLASA-N 0 0 323.440 2.380 10 30 DEEERN C=CCOC[C@H]1NC(=O)N([C@H](C)c2ccc(OC)c(F)c2)C1=O ZINC000348490615 404072485 /nfs/dbraw/zinc/07/24/85/404072485.db2.gz HSVYIFTZTLZCNT-ZWNOBZJWSA-N 0 0 322.336 2.018 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)C[C@H]3CCCCO3)C2)n1 ZINC000328612219 404113593 /nfs/dbraw/zinc/11/35/93/404113593.db2.gz OAMIHRUPGKOLDK-UONOGXRCSA-N 0 0 320.393 2.224 10 30 DEEERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](C)c2cccnc2)C1 ZINC000328623226 404116777 /nfs/dbraw/zinc/11/67/77/404116777.db2.gz BTDFKAKHVPRVSG-LMWSTFAQSA-N 0 0 305.378 2.079 10 30 DEEERN C=CCOc1ccc(CNC(=O)c2c(C)nnn2CC)cc1 ZINC000296161674 404122196 /nfs/dbraw/zinc/12/21/96/404122196.db2.gz KKCYGJNICKTVKN-UHFFFAOYSA-N 0 0 300.362 2.101 10 30 DEEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)NCc2cc[nH]c(=O)c2)cn1 ZINC000328645179 404122497 /nfs/dbraw/zinc/12/24/97/404122497.db2.gz SBWNMYUYYCOUSO-DZGCQCFKSA-N 0 0 316.361 2.238 10 30 DEEERN CCC[C@@H]1C[C@@H]1NC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000328701776 404135213 /nfs/dbraw/zinc/13/52/13/404135213.db2.gz NLSACQITFOXTSN-QPSCCSFWSA-N 0 0 310.438 2.246 10 30 DEEERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCSC1 ZINC000329231838 404273455 /nfs/dbraw/zinc/27/34/55/404273455.db2.gz KWWBQGKCFFAQTA-QJPTWQEYSA-N 0 0 305.465 2.442 10 30 DEEERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@H]1CCCOC1 ZINC000329483681 404352380 /nfs/dbraw/zinc/35/23/80/404352380.db2.gz WPDKVXLVHLHHSF-SRVKXCTJSA-N 0 0 300.424 2.070 10 30 DEEERN C[C@H](Cn1ccnc1)NC(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329700597 404426647 /nfs/dbraw/zinc/42/66/47/404426647.db2.gz ZXUIPFJHQHKLQA-GDBMZVCRSA-N 0 0 320.437 2.467 10 30 DEEERN O=C(CN1CCC[C@@H](C(=O)N2CCCC2)C1)Nc1nccs1 ZINC000329710320 404428611 /nfs/dbraw/zinc/42/86/11/404428611.db2.gz MDJAAVKPWUNOCF-GFCCVEGCSA-N 0 0 322.434 2.066 10 30 DEEERN CCCN(C(=O)NCC1(C)COC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000329566174 404377814 /nfs/dbraw/zinc/37/78/14/404377814.db2.gz KTYJHMVVKXBQDW-MJBXVCDLSA-N 0 0 310.438 2.462 10 30 DEEERN CC(C)N1CC[C@H](NC(=O)N2CC3(CCC3)[C@H]2C2CC2)C1=O ZINC000329614036 404394515 /nfs/dbraw/zinc/39/45/15/404394515.db2.gz PBJXEVJRIBJYHE-UONOGXRCSA-N 0 0 305.422 2.174 10 30 DEEERN O=C(Nc1cccc(N2CCNC2=O)c1)N1C[C@H]2CCC[C@@H]21 ZINC000329666640 404414843 /nfs/dbraw/zinc/41/48/43/404414843.db2.gz LALOMGKNKRAZSK-RISCZKNCSA-N 0 0 300.362 2.450 10 30 DEEERN O=C(NC1CC1)c1cccc(C(=O)N2CCc3cncnc3C2)c1 ZINC000329956251 404507608 /nfs/dbraw/zinc/50/76/08/404507608.db2.gz LDSBBGYJPJTIIB-UHFFFAOYSA-N 0 0 322.368 2.142 10 30 DEEERN C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H]1COC)C(C)C ZINC000297076843 404440365 /nfs/dbraw/zinc/44/03/65/404440365.db2.gz LTTCRLMKGQQDAP-CVEARBPZSA-N 0 0 309.454 2.115 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000342219268 404449756 /nfs/dbraw/zinc/44/97/56/404449756.db2.gz YOZWDIYFYLACMA-GFCCVEGCSA-N 0 0 317.307 2.429 10 30 DEEERN C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2CCC[C@H]21 ZINC000350729880 404453357 /nfs/dbraw/zinc/45/33/57/404453357.db2.gz OHOLAXARYDFTID-GXTWGEPZSA-N 0 0 317.437 2.371 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@]1(C)CCC(=O)NC1 ZINC000413982451 404465504 /nfs/dbraw/zinc/46/55/04/404465504.db2.gz GEEPJVSYYGZGPZ-MAUKXSAKSA-N 0 0 300.402 2.206 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCOCC1CC1 ZINC000342400272 404554343 /nfs/dbraw/zinc/55/43/43/404554343.db2.gz KKADJAXTAUPEQH-UHFFFAOYSA-N 0 0 307.390 2.493 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCC(c2nnc(CC)[nH]2)CC1)OCC ZINC000365135742 404561168 /nfs/dbraw/zinc/56/11/68/404561168.db2.gz LGSWGYJYVVWCQQ-CQSZACIVSA-N 0 0 320.437 2.444 10 30 DEEERN CCC1(CC)[C@H](NC(=O)N2CCc3cncnc3C2)C[C@H]1OC ZINC000330147557 404565623 /nfs/dbraw/zinc/56/56/23/404565623.db2.gz IRJYFSOODGIPQW-HUUCEWRRSA-N 0 0 318.421 2.342 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000297882264 404649825 /nfs/dbraw/zinc/64/98/25/404649825.db2.gz QBMZTOYZTGUSMZ-UHFFFAOYSA-N 0 0 317.433 2.136 10 30 DEEERN C=CCn1c(Cc2ccccn2)nnc1N1C[C@@H]2C[C@H]1CS2 ZINC000414518143 404665218 /nfs/dbraw/zinc/66/52/18/404665218.db2.gz RUOHLICQRAJMSW-KBPBESRZSA-N 0 0 313.430 2.144 10 30 DEEERN Cc1noc([C@]2(O)CCN(c3c(Cl)cccc3C#N)C2)n1 ZINC000365440283 404661589 /nfs/dbraw/zinc/66/15/89/404661589.db2.gz BEQMITACNCKCCI-AWEZNQCLSA-N 0 0 304.737 2.001 10 30 DEEERN CN(C)c1ncccc1O[C@H]1CCN(C(=O)NCC2CCC2)C1 ZINC000330333708 404629345 /nfs/dbraw/zinc/62/93/45/404629345.db2.gz QAVQFJNSHVENQP-AWEZNQCLSA-N 0 0 318.421 2.315 10 30 DEEERN C=CCN1CC[C@@H](N(C)c2cc(C)nc(-c3ccncc3)n2)C1=O ZINC000358655723 404771061 /nfs/dbraw/zinc/77/10/61/404771061.db2.gz ARXUKNLASQVKRC-OAHLLOKOSA-N 0 0 323.400 2.070 10 30 DEEERN C=CCN(C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)C1CC1 ZINC000357498139 404735860 /nfs/dbraw/zinc/73/58/60/404735860.db2.gz ZDQBOSGRNICKCK-LLVKDONJSA-N 0 0 320.339 2.495 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000352987993 404712771 /nfs/dbraw/zinc/71/27/71/404712771.db2.gz KEEPINLCBMONHE-CXAGYDPISA-N 0 0 311.422 2.405 10 30 DEEERN C=C(C)Cn1c(CC(C)C)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000358837462 404777327 /nfs/dbraw/zinc/77/73/27/404777327.db2.gz WVMHNHVTQURWRW-KGLIPLIRSA-N 0 0 319.453 2.143 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@@H](COC)c1ccc(F)cc1 ZINC000358914827 404778667 /nfs/dbraw/zinc/77/86/67/404778667.db2.gz LFAIFEDTWCLTJL-HNNXBMFYSA-N 0 0 310.369 2.357 10 30 DEEERN C=C(C)Cn1c(N(CCOC)[C@H]2CCOC2)nnc1C(C)(C)C ZINC000359097107 404783460 /nfs/dbraw/zinc/78/34/60/404783460.db2.gz DTMHQGCFSZETIU-AWEZNQCLSA-N 0 0 322.453 2.393 10 30 DEEERN C=C(C)Cn1c(-c2cccn2C)nnc1N1CCOC[C@H](C)C1 ZINC000359217927 404787550 /nfs/dbraw/zinc/78/75/50/404787550.db2.gz CLZWVDRSCNOPCN-CQSZACIVSA-N 0 0 315.421 2.332 10 30 DEEERN C=CCN(C[C@H]1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000359598036 404798411 /nfs/dbraw/zinc/79/84/11/404798411.db2.gz OZNDAGIFTHABFZ-MAUKXSAKSA-N 0 0 319.470 2.467 10 30 DEEERN Cc1cc(F)cc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 ZINC000366587606 404819552 /nfs/dbraw/zinc/81/95/52/404819552.db2.gz ORCQABLOZIKYMX-HNNXBMFYSA-N 0 0 302.353 2.338 10 30 DEEERN C#C[C@H](NC(=O)N1CCC(c2nccc(C)n2)CC1)C(C)C ZINC000366994334 404892281 /nfs/dbraw/zinc/89/22/81/404892281.db2.gz BMWNYJMJUBNRMQ-HNNXBMFYSA-N 0 0 300.406 2.332 10 30 DEEERN C[C@H](Cc1ccc(O)cc1)N(C)S(=O)(=O)CC1(CC#N)CC1 ZINC000451335928 404959354 /nfs/dbraw/zinc/95/93/54/404959354.db2.gz VIFVKUUMXXIXQF-CYBMUJFWSA-N 0 0 322.430 2.279 10 30 DEEERN N#Cc1ccc(CC(=O)NCC[C@@H]2COc3ccccc3O2)cc1 ZINC000361155741 404949677 /nfs/dbraw/zinc/94/96/77/404949677.db2.gz PVYLJGUFLFFNGX-MRXNPFEDSA-N 0 0 322.364 2.447 10 30 DEEERN C[C@@H](C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1c(F)cccc1F ZINC000367157385 404950267 /nfs/dbraw/zinc/95/02/67/404950267.db2.gz HSAMAGYLJLYCCA-YPMHNXCESA-N 0 0 319.355 2.267 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(SC)c2)C1=O ZINC000451425606 404991217 /nfs/dbraw/zinc/99/12/17/404991217.db2.gz UZYOTDRTPIFJTQ-CQSZACIVSA-N 0 0 304.415 2.267 10 30 DEEERN N#Cc1cnc2c(F)ccc(Cl)c2c1NC[C@@H](O)C(F)F ZINC000435590872 404993442 /nfs/dbraw/zinc/99/34/42/404993442.db2.gz ZZFKFYNHUGDDQZ-SECBINFHSA-N 0 0 315.682 2.359 10 30 DEEERN C=CC1CCN(C(=O)Nc2ncc(C(=O)OCC)n2C)CC1 ZINC000417102457 405036603 /nfs/dbraw/zinc/03/66/03/405036603.db2.gz LYKZWZUGHUMALV-UHFFFAOYSA-N 0 0 306.366 2.027 10 30 DEEERN C=CCNC(=O)NC(=O)[C@H](C)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000451845728 405062278 /nfs/dbraw/zinc/06/22/78/405062278.db2.gz VIEASAXBBXLSQV-GXTWGEPZSA-N 0 0 317.389 2.207 10 30 DEEERN CC(C)C(=O)N[C@@H]1CCCN(c2nc3c(cc2C#N)CCC3)C1 ZINC000407972512 405080097 /nfs/dbraw/zinc/08/00/97/405080097.db2.gz UKPPAHOAZLTVNF-OAHLLOKOSA-N 0 0 312.417 2.183 10 30 DEEERN C=C(C)C(C)(C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000424535571 405111895 /nfs/dbraw/zinc/11/18/95/405111895.db2.gz COBMEWQWRHGLGZ-NSHDSACASA-N 0 0 310.419 2.114 10 30 DEEERN C=CCC1(C(=O)N[C@@H]2COc3ccccc3C2)CCOCC1 ZINC000424584288 405121529 /nfs/dbraw/zinc/12/15/29/405121529.db2.gz NOZWPBYSGXVHLX-HNNXBMFYSA-N 0 0 301.386 2.479 10 30 DEEERN C=CCC1(C(=O)N2CCC(OCCOC)CC2)CCOCC1 ZINC000424685083 405149680 /nfs/dbraw/zinc/14/96/80/405149680.db2.gz ZPLHEQHLNIETOR-UHFFFAOYSA-N 0 0 311.422 2.013 10 30 DEEERN COC(=O)c1ccc(C)c(NC(=O)c2ccc(C#N)o2)c1O ZINC000436874337 405155500 /nfs/dbraw/zinc/15/55/00/405155500.db2.gz SYDRLUSIYPHNNX-UHFFFAOYSA-N 0 0 300.270 2.204 10 30 DEEERN C#CCCCS(=O)(=O)N1CCCN(c2ccccc2F)CC1 ZINC000367794204 405156497 /nfs/dbraw/zinc/15/64/97/405156497.db2.gz QZZLYQAVVUDNBB-UHFFFAOYSA-N 0 0 324.421 2.081 10 30 DEEERN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000424808982 405184387 /nfs/dbraw/zinc/18/43/87/405184387.db2.gz LNMDPCHNFDRAJQ-CQSZACIVSA-N 0 0 304.438 2.416 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(F)c(C(=O)OC)c1C ZINC000452139107 405193252 /nfs/dbraw/zinc/19/32/52/405193252.db2.gz JNNSKUPUGCWKOW-MFKMUULPSA-N 0 0 307.321 2.450 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cn(CC)cn1 ZINC000416634463 405203519 /nfs/dbraw/zinc/20/35/19/405203519.db2.gz NYKGQJKTZKVWOA-HNNXBMFYSA-N 0 0 319.430 2.369 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccnn1CC ZINC000416636521 405203699 /nfs/dbraw/zinc/20/36/99/405203699.db2.gz RWUDELMJNQGQTM-OAHLLOKOSA-N 0 0 319.430 2.369 10 30 DEEERN C=CCC1(C(=O)N2CC(CO)(c3ccccc3)C2)CCOCC1 ZINC000424881227 405204489 /nfs/dbraw/zinc/20/44/89/405204489.db2.gz MTQWNAFHQOGGDM-UHFFFAOYSA-N 0 0 315.413 2.132 10 30 DEEERN C=CCn1cc(CNC(=O)C2(C(F)(F)F)CCCC2)nn1 ZINC000424920971 405213052 /nfs/dbraw/zinc/21/30/52/405213052.db2.gz YYTYZUHDIZCXAR-UHFFFAOYSA-N 0 0 302.300 2.203 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@](C)(OC)c1ccccc1F ZINC000424924868 405214009 /nfs/dbraw/zinc/21/40/09/405214009.db2.gz NFQAONJABXCCMB-NUTKFTJISA-N 0 0 307.365 2.395 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(OCC(F)F)nc1 ZINC000424931190 405214698 /nfs/dbraw/zinc/21/46/98/405214698.db2.gz JFNUMEXJRIMSCW-JQWIXIFHSA-N 0 0 312.316 2.046 10 30 DEEERN C=CCC1(C(=O)NC[C@H](O)CCc2ccccc2)CCOCC1 ZINC000424783510 405176872 /nfs/dbraw/zinc/17/68/72/405176872.db2.gz QBYICPRCLRLSLR-QGZVFWFLSA-N 0 0 317.429 2.469 10 30 DEEERN C=CCn1cc(CNC(=O)NCc2ccc(SC)cc2)nn1 ZINC000425415104 405287033 /nfs/dbraw/zinc/28/70/33/405287033.db2.gz JLBGWXOYLMQTIY-UHFFFAOYSA-N 0 0 317.418 2.185 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC[C@@H]1CCCC[C@@H]1O ZINC000425846748 405323938 /nfs/dbraw/zinc/32/39/38/405323938.db2.gz BYTVNLBZSRAWOX-VGWMRTNUSA-N 0 0 310.438 2.208 10 30 DEEERN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)CCCO ZINC000440948211 405331429 /nfs/dbraw/zinc/33/14/29/405331429.db2.gz AUXDCDPGYNTLIC-CYBMUJFWSA-N 0 0 321.446 2.191 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](CO)CCC=C ZINC000454062245 405295586 /nfs/dbraw/zinc/29/55/86/405295586.db2.gz UJRQFQQASAOEAK-OAHLLOKOSA-N 0 0 316.401 2.187 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1(CCOCC)CCC1 ZINC000425482971 405297554 /nfs/dbraw/zinc/29/75/54/405297554.db2.gz VGVHVHSAJNBENY-GJZGRUSLSA-N 0 0 310.438 2.474 10 30 DEEERN C=C(C)CCNC(=O)N1CCC(NC(=O)c2ccoc2C)CC1 ZINC000455311684 405396233 /nfs/dbraw/zinc/39/62/33/405396233.db2.gz NZLIFHHQZPOFMH-UHFFFAOYSA-N 0 0 319.405 2.458 10 30 DEEERN C=CCOCC(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1 ZINC000445930663 405363323 /nfs/dbraw/zinc/36/33/23/405363323.db2.gz UNCSDMPXNLYLTB-OAHLLOKOSA-N 0 0 319.401 2.229 10 30 DEEERN C=CCC1(C(=O)NCCc2nnc3n2CCC3)CCCCC1 ZINC000448751043 405443890 /nfs/dbraw/zinc/44/38/90/405443890.db2.gz RKVOEXCRQFOSDE-UHFFFAOYSA-N 0 0 302.422 2.410 10 30 DEEERN CCC(=O)N[C@H]1CCCN(C(=O)Nc2cc(C)cc(C#N)c2)C1 ZINC000455977565 405465682 /nfs/dbraw/zinc/46/56/82/405465682.db2.gz BVKZPEQYYNABFM-AWEZNQCLSA-N 0 0 314.389 2.389 10 30 DEEERN C=CCn1cc(C(=O)N2CCC(=O)C[C@@H]2c2ccccc2)nn1 ZINC000633161635 405476752 /nfs/dbraw/zinc/47/67/52/405476752.db2.gz ALSWYMFOPQYKDA-MRXNPFEDSA-N 0 0 310.357 2.011 10 30 DEEERN CC(C)(C)c1nnc(CNC(=O)NCC2CCC(C#N)CC2)[nH]1 ZINC000458740378 405566886 /nfs/dbraw/zinc/56/68/86/405566886.db2.gz RZDYOHBZFNPURV-UHFFFAOYSA-N 0 0 318.425 2.231 10 30 DEEERN C=C(C)CCNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C ZINC000456116841 405503652 /nfs/dbraw/zinc/50/36/52/405503652.db2.gz FMQPNCORZOLWEE-UHFFFAOYSA-N 0 0 300.362 2.247 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000633410715 405627849 /nfs/dbraw/zinc/62/78/49/405627849.db2.gz ATXSEVZCEKKJIW-CHWSQXEVSA-N 0 0 316.467 2.196 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000633411581 405629997 /nfs/dbraw/zinc/62/99/97/405629997.db2.gz WRTUYOILOYKTEV-HOTGVXAUSA-N 0 0 323.481 2.483 10 30 DEEERN C=C(CC)CNC(=O)c1cnn2cc(Br)cnc12 ZINC000456809854 405577020 /nfs/dbraw/zinc/57/70/20/405577020.db2.gz CNIJRWXNEDIJMX-UHFFFAOYSA-N 0 0 309.167 2.188 10 30 DEEERN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCOCC1CCC1 ZINC000558645976 405678924 /nfs/dbraw/zinc/67/89/24/405678924.db2.gz IMQQYHXFYDINGI-CYBMUJFWSA-N 0 0 302.374 2.258 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CC[C@@H](C(C)C)C1 ZINC000558674681 405686966 /nfs/dbraw/zinc/68/69/66/405686966.db2.gz FUVVSPQPWDXOSJ-ZIAGYGMSSA-N 0 0 306.410 2.034 10 30 DEEERN C=CCC1(NC(=O)c2cn3c(n2)C[C@@H](C)CC3)CCOCC1 ZINC000633637800 405759577 /nfs/dbraw/zinc/75/95/77/405759577.db2.gz DYBAAUYUUUNXAS-ZDUSSCGKSA-N 0 0 303.406 2.321 10 30 DEEERN CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)c2ccc(C#N)o2)C1 ZINC000457222541 405760194 /nfs/dbraw/zinc/76/01/94/405760194.db2.gz ABFGBTKCIVLXHL-MRXNPFEDSA-N 0 0 304.346 2.345 10 30 DEEERN C=CCOc1ccc(CN2CCS(=O)(=O)CC[C@@H]2C)cc1 ZINC000432798190 405810721 /nfs/dbraw/zinc/81/07/21/405810721.db2.gz HQYYWFYMFLZDSZ-AWEZNQCLSA-N 0 0 309.431 2.260 10 30 DEEERN C=C[C@H](CO)NC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC000633647931 405765465 /nfs/dbraw/zinc/76/54/65/405765465.db2.gz APMCAGUIKLJPGE-IPYPFGDCSA-N 0 0 324.218 2.390 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1ccc2c(c1)CCO2 ZINC000583575955 405765679 /nfs/dbraw/zinc/76/56/79/405765679.db2.gz XVPDJTXYIOEPHW-UHFFFAOYSA-N 0 0 316.401 2.100 10 30 DEEERN C=CCC1(C(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)CCCCC1 ZINC000633882578 405889122 /nfs/dbraw/zinc/88/91/22/405889122.db2.gz IUQFVWXVYWTLNN-IRXDYDNUSA-N 0 0 318.417 2.024 10 30 DEEERN C=C[C@H](O)C(=O)NCCc1c2ccccc2[nH]c1C(F)(F)F ZINC000633885401 405890383 /nfs/dbraw/zinc/89/03/83/405890383.db2.gz NBLLBMZMQJLHTI-LBPRGKRZSA-N 0 0 312.291 2.392 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000633967388 405934933 /nfs/dbraw/zinc/93/49/33/405934933.db2.gz MNSNURXZDPMMHP-ZDUSSCGKSA-N 0 0 306.410 2.037 10 30 DEEERN C=CCCc1ccccc1NC(=O)N[C@H](CO)c1ccnn1C ZINC000459552675 405953238 /nfs/dbraw/zinc/95/32/38/405953238.db2.gz WVQXJHHRFMPHQZ-OAHLLOKOSA-N 0 0 314.389 2.394 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000457609415 405918280 /nfs/dbraw/zinc/91/82/80/405918280.db2.gz SWVXQTSUONIKJV-LBPRGKRZSA-N 0 0 322.796 2.114 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(O)cc1OCC ZINC000613924695 405920367 /nfs/dbraw/zinc/92/03/67/405920367.db2.gz RBVIQHRZJJZPBZ-AWEZNQCLSA-N 0 0 306.362 2.200 10 30 DEEERN C=CCOCCCC(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000434053860 406015115 /nfs/dbraw/zinc/01/51/15/406015115.db2.gz PQNVDZDHDSHLNC-AAEUAGOBSA-N 0 0 309.328 2.131 10 30 DEEERN C=CCN(C1CC1)S(=O)(=O)CCc1noc2ccccc21 ZINC000632178568 406035145 /nfs/dbraw/zinc/03/51/45/406035145.db2.gz WWZWMFGMDCURIY-UHFFFAOYSA-N 0 0 306.387 2.351 10 30 DEEERN C=CCNC(=O)c1ccc(N2CCC[C@@H](COC)CC2)nc1 ZINC000450950064 405998862 /nfs/dbraw/zinc/99/88/62/405998862.db2.gz URAGPXHAAPURGS-CQSZACIVSA-N 0 0 303.406 2.250 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000513625062 406053995 /nfs/dbraw/zinc/05/39/95/406053995.db2.gz OEDNAGGTXVNLIN-CWRNSKLLSA-N 0 0 318.417 2.469 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1csc(CC)n1 ZINC000636687058 406053965 /nfs/dbraw/zinc/05/39/65/406053965.db2.gz ZEIYBANKZNWRKU-UHFFFAOYSA-N 0 0 323.462 2.430 10 30 DEEERN CC1CC(C#N)(C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)C1 ZINC000564478029 406064150 /nfs/dbraw/zinc/06/41/50/406064150.db2.gz ZYXHLHMCOCOSQL-YWFMTQBDSA-N 0 0 300.362 2.203 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000636726319 406064268 /nfs/dbraw/zinc/06/42/68/406064268.db2.gz MZUVAFKDNQXCKM-IMJJTQAJSA-N 0 0 322.449 2.311 10 30 DEEERN C=CCC[C@@H]1NC(=O)N([C@@H]2CCN(c3ccc(F)cc3)C2)C1=O ZINC000515525725 406072284 /nfs/dbraw/zinc/07/22/84/406072284.db2.gz YVZNQEWRWRZNGI-CABCVRRESA-N 0 0 317.364 2.291 10 30 DEEERN C=CCn1c(Cc2cc(C)[nH]n2)nnc1N1CC[C@H](C)[C@H](F)C1 ZINC000634337088 406105409 /nfs/dbraw/zinc/10/54/09/406105409.db2.gz DFBKSUKKPKPCGF-SMDDNHRTSA-N 0 0 318.400 2.271 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H]1C1CCC1 ZINC000516817542 406105787 /nfs/dbraw/zinc/10/57/87/406105787.db2.gz BJSFXSLTQWLWHO-CABCVRRESA-N 0 0 318.421 2.321 10 30 DEEERN CO[C@@H]1CC[C@@H](NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C1 ZINC000471703098 406109816 /nfs/dbraw/zinc/10/98/16/406109816.db2.gz RXVKWNCJXBXVLX-GDBMZVCRSA-N 0 0 324.384 2.350 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1cccc(OC)c1C ZINC000637026008 406154219 /nfs/dbraw/zinc/15/42/19/406154219.db2.gz ZAUNUSNHTSCLDI-UHFFFAOYSA-N 0 0 318.417 2.338 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000632593650 406193917 /nfs/dbraw/zinc/19/39/17/406193917.db2.gz BHLMIFRVFNVXGL-DZGCQCFKSA-N 0 0 322.449 2.121 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[C@@]1(C)CCCO ZINC000632620044 406203616 /nfs/dbraw/zinc/20/36/16/406203616.db2.gz YKXXLMVOPCMIHS-SFHVURJKSA-N 0 0 324.465 2.249 10 30 DEEERN C=CCCCCCNC(=O)[C@@H](C)Sc1nnnn1C1CC1 ZINC000568662669 406219966 /nfs/dbraw/zinc/21/99/66/406219966.db2.gz HNKORWFRBOYQOE-LLVKDONJSA-N 0 0 309.439 2.351 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](O)[C@@H]1CCCO1 ZINC000637224893 406220388 /nfs/dbraw/zinc/22/03/88/406220388.db2.gz RYGDMUNNDHUGIF-ZACQAIPSSA-N 0 0 318.417 2.013 10 30 DEEERN C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)N(C)CC2 ZINC000487399122 406227705 /nfs/dbraw/zinc/22/77/05/406227705.db2.gz RCHYACRLAQNIAQ-CQSZACIVSA-N 0 0 306.431 2.408 10 30 DEEERN C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)C1 ZINC000632762527 406253093 /nfs/dbraw/zinc/25/30/93/406253093.db2.gz FBMATCMDWIRERN-HNNXBMFYSA-N 0 0 316.376 2.399 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCc1ccccc1C(F)(F)F ZINC000539786452 406296211 /nfs/dbraw/zinc/29/62/11/406296211.db2.gz JDKSQMKZQAOZMU-LBPRGKRZSA-N 0 0 316.323 2.484 10 30 DEEERN N#Cc1cnccc1NCCCC(=O)N1Cc2ccccc2C1 ZINC000545947735 406337687 /nfs/dbraw/zinc/33/76/87/406337687.db2.gz GZEWIAASJMLFIQ-UHFFFAOYSA-N 0 0 306.369 2.110 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000637436107 406307399 /nfs/dbraw/zinc/30/73/99/406307399.db2.gz FDSQZXMTKFJGSL-ZFWWWQNUSA-N 0 0 306.793 2.401 10 30 DEEERN C=C(C)COCCNC(=O)N(C)Cc1c(C)nn(CC)c1C ZINC000633119793 406385282 /nfs/dbraw/zinc/38/52/82/406385282.db2.gz GZDWOXKALMYZAL-UHFFFAOYSA-N 0 0 308.426 2.254 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC2(CC(OCC)C2)C1 ZINC000570392046 406387378 /nfs/dbraw/zinc/38/73/78/406387378.db2.gz CJJCQEJJYHLGKJ-BOLLXYOYSA-N 0 0 308.422 2.178 10 30 DEEERN N#Cc1cccc(Cc2nc([C@@H]3CC(=O)N(CC4CC4)C3)no2)c1 ZINC000547219330 406393160 /nfs/dbraw/zinc/39/31/60/406393160.db2.gz ZYKHIBXBDCJPBB-OAHLLOKOSA-N 0 0 322.368 2.258 10 30 DEEERN C=CC1CCN(C(=O)C(=O)Nc2ccnn2CC2CCC2)CC1 ZINC000635065921 406415794 /nfs/dbraw/zinc/41/57/94/406415794.db2.gz SGOGVURFDSQXIU-UHFFFAOYSA-N 0 0 316.405 2.046 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccnn1CC1CCC1 ZINC000635097834 406423420 /nfs/dbraw/zinc/42/34/20/406423420.db2.gz UQHKUWHBBCTQHJ-CYBMUJFWSA-N 0 0 318.421 2.483 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCN(CCOCC)CC1 ZINC000637624472 406371132 /nfs/dbraw/zinc/37/11/32/406371132.db2.gz YKMTWBAYYOBSSC-UHFFFAOYSA-N 0 0 311.470 2.343 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cncc(N(C)C)c1 ZINC000635261720 406478658 /nfs/dbraw/zinc/47/86/58/406478658.db2.gz JGNWUQVZMMZBSW-UHFFFAOYSA-N 0 0 318.421 2.195 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C)nc(C)n1 ZINC000635207666 406460532 /nfs/dbraw/zinc/46/05/32/406460532.db2.gz MRDUFHASZVNPKC-KGLIPLIRSA-N 0 0 316.405 2.283 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1c2c(ccc1F)OCO2 ZINC000635214842 406462000 /nfs/dbraw/zinc/46/20/00/406462000.db2.gz JNTDSLBKJZKVPA-UHFFFAOYSA-N 0 0 322.336 2.211 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1csc(CC)n1 ZINC000572257358 406633478 /nfs/dbraw/zinc/63/34/78/406633478.db2.gz NXLHEICFOKABCX-UHFFFAOYSA-N 0 0 309.435 2.184 10 30 DEEERN Cn1ncc(C(=O)N2CCC(OCC3CCCC3)CC2)c1C#N ZINC000527013379 406570717 /nfs/dbraw/zinc/57/07/17/406570717.db2.gz OLAJLCNZGRVCES-UHFFFAOYSA-N 0 0 316.405 2.103 10 30 DEEERN C[C@H](C#N)CNC(=O)NCC1CCN(c2ccccc2)CC1 ZINC000527452242 406634540 /nfs/dbraw/zinc/63/45/40/406634540.db2.gz OBPSUVJMKMIEFJ-CQSZACIVSA-N 0 0 300.406 2.362 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CCc2nc(C(C)C)ncc2C1 ZINC000527620122 406693314 /nfs/dbraw/zinc/69/33/14/406693314.db2.gz QLCYSOBGMFYGJY-UHFFFAOYSA-N 0 0 316.449 2.383 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000573039666 406767962 /nfs/dbraw/zinc/76/79/62/406767962.db2.gz AFEWBGMJPLNXKV-HUUCEWRRSA-N 0 0 320.345 2.071 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)CCc1ncc(C)s1 ZINC000574375309 406782381 /nfs/dbraw/zinc/78/23/81/406782381.db2.gz UTBCKNOBPBYXEL-OLZOCXBDSA-N 0 0 309.435 2.369 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000575041537 406788744 /nfs/dbraw/zinc/78/87/44/406788744.db2.gz NBBOQZDLYJHQKH-ULQDDVLXSA-N 0 0 316.401 2.361 10 30 DEEERN C[C@@H]1C(c2cccs2)=[N+]([O-])[C@](C)(C(=O)c2cccs2)N1O ZINC000575330120 406807260 /nfs/dbraw/zinc/80/72/60/406807260.db2.gz RWZRIGPHTPWRRH-KQXXLKEZSA-N 0 0 323.419 2.098 10 30 DEEERN CCOC(=O)Cc1c(C=O)ccc(C#N)c1OC(F)(F)F ZINC000575390846 406808969 /nfs/dbraw/zinc/80/89/69/406808969.db2.gz FMFFJDDWYUNGQF-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000576032991 406828880 /nfs/dbraw/zinc/82/88/80/406828880.db2.gz FEYVBMLXOKRFDQ-BPUTZDHNSA-N 0 0 318.421 2.248 10 30 DEEERN C=CCCCCCNC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000576886421 406833397 /nfs/dbraw/zinc/83/33/97/406833397.db2.gz KVEBJRPOFVKNSF-LBPRGKRZSA-N 0 0 308.344 2.112 10 30 DEEERN C#CC[C@@H](CC)NS(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000129170170 196025642 /nfs/dbraw/zinc/02/56/42/196025642.db2.gz OZJNBVNGVSZSQZ-SECBINFHSA-N 0 0 304.774 2.142 10 30 DEEERN CC#CC[C@@H](NN)c1ccccc1I ZINC000129370632 196042312 /nfs/dbraw/zinc/04/23/12/196042312.db2.gz YKQFRHJRVOQQRN-LLVKDONJSA-N 0 0 300.143 2.209 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000130597634 196094201 /nfs/dbraw/zinc/09/42/01/196094201.db2.gz HVALEISCSPWPPS-UHFFFAOYSA-N 0 0 320.389 2.375 10 30 DEEERN Cc1cc(Br)c(NCC(=O)NCC#N)cc1Cl ZINC000131775144 196198671 /nfs/dbraw/zinc/19/86/71/196198671.db2.gz XKGZLUWSXKUADB-UHFFFAOYSA-N 0 0 316.586 2.463 10 30 DEEERN Cc1cccc(C(=O)NCc2ccc(C#CCO)s2)c1F ZINC000132103452 196226488 /nfs/dbraw/zinc/22/64/88/196226488.db2.gz NBZVRJNVGFZMKN-UHFFFAOYSA-N 0 0 303.358 2.469 10 30 DEEERN N#Cc1cc(Br)ccc1NC(=O)N[C@@H]1CCOC1 ZINC000132536937 196263168 /nfs/dbraw/zinc/26/31/68/196263168.db2.gz PTJLUSUFLVVGBO-SNVBAGLBSA-N 0 0 310.151 2.231 10 30 DEEERN N#Cc1ccnc(NCc2cccnc2-n2ccnc2)c1[N+](=O)[O-] ZINC000133018858 196305347 /nfs/dbraw/zinc/30/53/47/196305347.db2.gz MLCUHWYWKVXAIT-UHFFFAOYSA-N 0 0 321.300 2.054 10 30 DEEERN C#CCn1ncc(N[C@@H]2CC[C@@H](C)C2)c(Br)c1=O ZINC000133262894 196326497 /nfs/dbraw/zinc/32/64/97/196326497.db2.gz NDDUCSPZYWOOQO-NXEZZACHSA-N 0 0 310.195 2.240 10 30 DEEERN N#CC1CCN(S(=O)(=O)c2cccc3ncccc32)CC1 ZINC000133916439 196346514 /nfs/dbraw/zinc/34/65/14/196346514.db2.gz GILDCJPBFNDCEJ-UHFFFAOYSA-N 0 0 301.371 2.159 10 30 DEEERN C=C(C)CN(C)S(=O)(=O)c1cc(Cl)cc(CO)c1C ZINC000135326029 196463948 /nfs/dbraw/zinc/46/39/48/196463948.db2.gz XCNHDDALSNXUIF-UHFFFAOYSA-N 0 0 303.811 2.337 10 30 DEEERN CCSc1cccc(N[C@@H]2CCC(=O)N(C)C2=O)c1C#N ZINC000136676866 196547233 /nfs/dbraw/zinc/54/72/33/196547233.db2.gz SDLOENDZXHKHLR-GFCCVEGCSA-N 0 0 303.387 2.230 10 30 DEEERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C#N)C2CCCCC2)n1 ZINC000191695460 225115928 /nfs/dbraw/zinc/11/59/28/225115928.db2.gz UNBDWARHAPXMOY-LLVKDONJSA-N 0 0 305.338 2.013 10 30 DEEERN N#CC1(C(=O)Nc2cncc(Br)c2)CCOCC1 ZINC000270303905 225399405 /nfs/dbraw/zinc/39/94/05/225399405.db2.gz XOHJOKMRCPVXNJ-UHFFFAOYSA-N 0 0 310.151 2.103 10 30 DEEERN O=C(CNC(=O)c1ccsc1)N1CCC[C@@H](n2cccn2)C1 ZINC000328678621 225784326 /nfs/dbraw/zinc/78/43/26/225784326.db2.gz BHMMVHRMKZIHDF-CYBMUJFWSA-N 0 0 318.402 2.113 10 30 DEEERN C[C@@]1(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CCC(=O)NC1 ZINC000328821365 225803536 /nfs/dbraw/zinc/80/35/36/225803536.db2.gz OWRJWMBAVDBQDW-IIYDPXPESA-N 0 0 321.421 2.491 10 30 DEEERN C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)O2)[C@H]1COc2ccccc21 ZINC000328836778 225805199 /nfs/dbraw/zinc/80/51/99/225805199.db2.gz MVHOIKZWSZGVQC-RMRHIDDWSA-N 0 0 302.374 2.328 10 30 DEEERN COc1cnc([NH+]=C([O-])N2CCC[C@H](n3cccn3)C2)s1 ZINC000329237382 225853221 /nfs/dbraw/zinc/85/32/21/225853221.db2.gz KFPOJGSRRMWJRV-JTQLQIEISA-N 0 0 307.379 2.231 10 30 DEEERN C[C@H](NC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1)c1ccncc1F ZINC000329426359 225878953 /nfs/dbraw/zinc/87/89/53/225878953.db2.gz GNEDHSXAADZQRK-GLQYFDAESA-N 0 0 323.368 2.076 10 30 DEEERN C[C@H](CNC(=O)N1CC(O)(C2CC2)C1)Oc1cccc(Cl)c1 ZINC000329435057 225880583 /nfs/dbraw/zinc/88/05/83/225880583.db2.gz LKFARIPNZBBMAM-LLVKDONJSA-N 0 0 324.808 2.478 10 30 DEEERN COc1ccc2c(c1)c(=O)ncn2CC(=O)NC1CCCC1 ZINC000329446855 225881075 /nfs/dbraw/zinc/88/10/75/225881075.db2.gz CQSDODGIPMCMFM-UHFFFAOYSA-N 0 0 301.346 2.304 10 30 DEEERN N#C[C@H]1CN(C(=O)/C=C/SCc2ccco2)CCN1C1CC1 ZINC000370327695 227050312 /nfs/dbraw/zinc/05/03/12/227050312.db2.gz WRXSHIMUXVGJGG-KVEVGEHQSA-N 0 0 317.414 2.225 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cccc(C(F)F)c2)CCN1C1CC1 ZINC000370989757 227061897 /nfs/dbraw/zinc/06/18/97/227061897.db2.gz FHRGIZNLCDOCQN-CQSZACIVSA-N 0 0 305.328 2.437 10 30 DEEERN CSc1ccsc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000370984056 227062469 /nfs/dbraw/zinc/06/24/69/227062469.db2.gz DRNRVEHZMWAMPF-NSHDSACASA-N 0 0 307.444 2.282 10 30 DEEERN C[C@@H](OC1CCCCCC1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000372788716 227097593 /nfs/dbraw/zinc/09/75/93/227097593.db2.gz QQZQBKKHCUSPSX-GDBMZVCRSA-N 0 0 319.449 2.313 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(C)=C(C)C1 ZINC000290353295 221594325 /nfs/dbraw/zinc/59/43/25/221594325.db2.gz KROSLSRFHBZJEF-AWEZNQCLSA-N 0 0 304.394 2.099 10 30 DEEERN Cn1ccc2cccc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)c21 ZINC000373767334 227117513 /nfs/dbraw/zinc/11/75/13/227117513.db2.gz ZSJFSPKGVZNEEG-OAHLLOKOSA-N 0 0 323.400 2.382 10 30 DEEERN C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)OC ZINC000290876491 221988348 /nfs/dbraw/zinc/98/83/48/221988348.db2.gz AVHIIZABVUOXMG-UHFFFAOYSA-N 0 0 303.322 2.427 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC=C(C)C1 ZINC000291017219 222074379 /nfs/dbraw/zinc/07/43/79/222074379.db2.gz MMMJTPYLPOZDLQ-AWEZNQCLSA-N 0 0 304.394 2.099 10 30 DEEERN C[C@H]1CCN(S(=O)(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000408136640 227227237 /nfs/dbraw/zinc/22/72/37/227227237.db2.gz GIKFYXDUCHNYRD-LBPRGKRZSA-N 0 0 307.419 2.486 10 30 DEEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCC(C)(C#N)CC2)cn1 ZINC000408392100 227232839 /nfs/dbraw/zinc/23/28/39/227232839.db2.gz DSSREHVYSCTNFT-LSDHHAIUSA-N 0 0 316.405 2.133 10 30 DEEERN N#Cc1ccc(NCC(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cc1 ZINC000619423507 422530596 /nfs/dbraw/zinc/53/05/96/422530596.db2.gz RQVDPPFFNAUGAE-AWEZNQCLSA-N 0 0 311.345 2.183 10 30 DEEERN N#Cc1nc(N[C@H]2CCCC[C@H]2C(N)=O)ccc1C(F)(F)F ZINC000619696700 422532217 /nfs/dbraw/zinc/53/22/17/422532217.db2.gz UTVHZFLUJHUMTR-SCZZXKLOSA-N 0 0 312.295 2.428 10 30 DEEERN C[C@@H]1CC=CC[C@H]1C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1 ZINC000367597346 424868669 /nfs/dbraw/zinc/86/86/69/424868669.db2.gz MOKLUKNVKWABFF-RHSMWYFYSA-N 0 0 324.428 2.958 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)Nc1ccnc(N2CCOCC2)n1 ZINC000413590363 424946376 /nfs/dbraw/zinc/94/63/76/424946376.db2.gz ZTUOWJCIYJFIQP-KRWDZBQOSA-N 0 0 324.428 2.913 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1cc(C)n(-c2cccc(F)c2)n1 ZINC000376967293 424900033 /nfs/dbraw/zinc/90/00/33/424900033.db2.gz JEPRRXNVBYSFPM-UHFFFAOYSA-N 0 0 309.344 2.921 10 30 DEEERN C[C@H]1C[C@H]1c1nnc2ccc(NCC3CCC(C#N)CC3)nn21 ZINC000450498252 425074386 /nfs/dbraw/zinc/07/43/86/425074386.db2.gz GDLJAXYWDGQRFU-GFJIZPEISA-N 0 0 310.405 2.990 10 30 DEEERN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C(N)=O)cn1C ZINC000087069332 267392498 /nfs/dbraw/zinc/39/24/98/267392498.db2.gz KMJYXBSWJPPKFN-UHFFFAOYSA-N 0 0 324.384 2.048 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1 ZINC000530674802 268277571 /nfs/dbraw/zinc/27/75/71/268277571.db2.gz FNYCPUHJXYMABB-UHFFFAOYSA-N 0 0 313.744 2.492 10 30 DEEERN C#CCOCCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000090002211 275384661 /nfs/dbraw/zinc/38/46/61/275384661.db2.gz RGWFLIJBDZNVGA-WBVHZDCISA-N 0 0 320.820 2.241 10 30 DEEERN CCC1(CC)CN(c2nc(C)cc(C)c2C#N)CCS1(=O)=O ZINC000408464225 276217022 /nfs/dbraw/zinc/21/70/22/276217022.db2.gz DPZLOECNAZTZRG-UHFFFAOYSA-N 0 0 321.446 2.364 10 30 DEEERN C=CCNC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000132057178 276901923 /nfs/dbraw/zinc/90/19/23/276901923.db2.gz VIUKLPBDUASJBA-TZMCWYRMSA-N 0 0 307.781 2.097 10 30 DEEERN COc1ccc2c(c1)N(C(=O)c1ccc(C#N)n1C)C[C@@H](C)O2 ZINC000450018960 277440278 /nfs/dbraw/zinc/44/02/78/277440278.db2.gz UBQADIHCCBOTBH-LLVKDONJSA-N 0 0 311.341 2.333 10 30 DEEERN C=C1CCN(S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000286711740 277814318 /nfs/dbraw/zinc/81/43/18/277814318.db2.gz BDXRSBQIWSUMAC-UHFFFAOYSA-N 0 0 306.309 2.441 10 30 DEEERN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000408340229 278304740 /nfs/dbraw/zinc/30/47/40/278304740.db2.gz UORULPFSWAHKMB-MELADBBJSA-N 0 0 305.422 2.222 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000408334203 279483825 /nfs/dbraw/zinc/48/38/25/279483825.db2.gz MJSZCQXUPSHMEB-ZWKOPEQDSA-N 0 0 301.321 2.060 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CCC[C@@H]3C2)[C@@]12CCCO2 ZINC000329525326 279831141 /nfs/dbraw/zinc/83/11/41/279831141.db2.gz QXFIGVBPISDQOD-SVZOTFJBSA-N 0 0 308.422 2.359 10 30 DEEERN Cc1ccc(C(=O)N2CC[C@H](C(N)=O)c3ccccc32)cc1C#N ZINC000374143393 280770301 /nfs/dbraw/zinc/77/03/01/280770301.db2.gz MGDIMTFQRXNAAF-INIZCTEOSA-N 0 0 319.364 2.486 10 30 DEEERN CC1(C)CCCC[C@H]1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000365948506 280965572 /nfs/dbraw/zinc/96/55/72/280965572.db2.gz URSCCLPXFKVZFV-LSDHHAIUSA-N 0 0 304.438 2.337 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000081063001 281602278 /nfs/dbraw/zinc/60/22/78/281602278.db2.gz PBCLWWYAZZICGY-UHFFFAOYSA-N 0 0 310.357 2.011 10 30 DEEERN CN1C(=O)C[C@@H](NC(=O)C(C)(C)C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000130092473 289826011 /nfs/dbraw/zinc/82/60/11/289826011.db2.gz MHWOQBVWWFPIPS-OCCSQVGLSA-N 0 0 319.792 2.278 10 30 DEEERN C[C@H](C1CCCCC1)N(C)C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329513694 298264623 /nfs/dbraw/zinc/26/46/23/298264623.db2.gz YAPRNTYWHDTUKR-VHDGCEQUSA-N 0 0 321.425 2.033 10 30 DEEERN N#C[C@@H]1N(C[C@@H](O)CC(F)(F)F)CCC[C@@]12CCCCO2 ZINC000366074450 303164631 /nfs/dbraw/zinc/16/46/31/303164631.db2.gz ROXIYITZQZBOKK-AVGNSLFASA-N 0 0 306.328 2.227 10 30 DEEERN N#Cc1ccc(C(=O)NC2(c3noc(C4CC4)n3)CCCC2)nc1 ZINC000174987743 325742729 /nfs/dbraw/zinc/74/27/29/325742729.db2.gz LUILCIAWJFDGOC-UHFFFAOYSA-N 0 0 323.356 2.413 10 30 DEEERN C=CCCCCCNC(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000565958482 331910290 /nfs/dbraw/zinc/91/02/90/331910290.db2.gz AXYHNJNAUOPPAP-AWEZNQCLSA-N 0 0 303.410 2.419 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc2c1CC(=O)CC2 ZINC000558571177 331924871 /nfs/dbraw/zinc/92/48/71/331924871.db2.gz IVJMFJMOSMDIMU-RDTXWAMCSA-N 0 0 313.397 2.455 10 30 DEEERN CCN(C[C@@H](C)C#N)S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190561027 331965595 /nfs/dbraw/zinc/96/55/95/331965595.db2.gz UKNUNYQZBACLRQ-JTQLQIEISA-N 0 0 300.355 2.005 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CC(C)(C)C[C@@H]1C ZINC000569451083 332089937 /nfs/dbraw/zinc/08/99/37/332089937.db2.gz RGBNIKYZOJEGRO-NSHDSACASA-N 0 0 315.425 2.193 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccnc(N2CC[C@@H](C)C2)c1 ZINC000569961565 332697460 /nfs/dbraw/zinc/69/74/60/332697460.db2.gz FHUVCQNPOXAAOJ-KBMXLJTQSA-N 0 0 315.417 2.249 10 30 DEEERN O=C(ONCc1ccccc1Br)C1CCOCC1 ZINC000211941353 333365768 /nfs/dbraw/zinc/36/57/68/333365768.db2.gz IBVVBXVWRMIJJH-UHFFFAOYSA-N 0 0 314.179 2.424 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(Br)cc1OC ZINC000185705870 333370733 /nfs/dbraw/zinc/37/07/33/333370733.db2.gz XIKCHRKPTNCZRC-JTQLQIEISA-N 0 0 314.179 2.125 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](NC(=O)c1ccccn1)C(C)C ZINC000340051981 334118182 /nfs/dbraw/zinc/11/81/82/334118182.db2.gz YNIOWZBRBHGBLU-HNNXBMFYSA-N 0 0 303.406 2.261 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CC=C(C)CC3)cc2C1=O ZINC000535192217 334377948 /nfs/dbraw/zinc/37/79/48/334377948.db2.gz UUVGLSIJGTWXOA-UHFFFAOYSA-N 0 0 310.353 2.261 10 30 DEEERN C=CCN(CCOC)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000344082854 335216219 /nfs/dbraw/zinc/21/62/19/335216219.db2.gz SDKRPTCUJPDLNC-UHFFFAOYSA-N 0 0 314.288 2.077 10 30 DEEERN C=C(C)CNC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000161194219 336121187 /nfs/dbraw/zinc/12/11/87/336121187.db2.gz ZYPQDGGAVWJUJH-LBPRGKRZSA-N 0 0 304.415 2.454 10 30 DEEERN C=CCNC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000042925240 336243324 /nfs/dbraw/zinc/24/33/24/336243324.db2.gz LZDBFBWMHCATKP-UHFFFAOYSA-N 0 0 313.401 2.439 10 30 DEEERN C[C@H](C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1c(F)cccc1F ZINC000367157379 336431483 /nfs/dbraw/zinc/43/14/83/336431483.db2.gz HSAMAGYLJLYCCA-AAEUAGOBSA-N 0 0 319.355 2.267 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1CCCc2nn(C)cc21 ZINC000367194668 336498028 /nfs/dbraw/zinc/49/80/28/336498028.db2.gz KOXPYZZEGRCWEH-JTQLQIEISA-N 0 0 301.312 2.417 10 30 DEEERN C#CCSCCNC(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000362335426 336792791 /nfs/dbraw/zinc/79/27/91/336792791.db2.gz LAHZWYAUAOKBHO-CVEARBPZSA-N 0 0 318.442 2.430 10 30 DEEERN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000170825576 337083004 /nfs/dbraw/zinc/08/30/04/337083004.db2.gz RCPSMWUADZPYQX-SMDDNHRTSA-N 0 0 323.418 2.023 10 30 DEEERN C#CCCCNC(=O)N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000177836096 337160581 /nfs/dbraw/zinc/16/05/81/337160581.db2.gz UYDDWVAVMNJINS-INIZCTEOSA-N 0 0 302.374 2.192 10 30 DEEERN C=CCCC(=O)NC[C@@H](Cc1ccc(F)cc1C)C(=O)NC ZINC000582787401 337165742 /nfs/dbraw/zinc/16/57/42/337165742.db2.gz HTYFELCDNUAHJU-CQSZACIVSA-N 0 0 306.381 2.121 10 30 DEEERN C=CCNS(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000528286270 337799757 /nfs/dbraw/zinc/79/97/57/337799757.db2.gz LBXPZVZZEWFVHG-UHFFFAOYSA-N 0 0 311.281 2.058 10 30 DEEERN C=CCc1cc(CNCc2cc(C(N)=O)co2)cc(OC)c1O ZINC000189406245 340535766 /nfs/dbraw/zinc/53/57/66/340535766.db2.gz BHXJBCWCSGLLAY-UHFFFAOYSA-N 0 0 316.357 2.111 10 30 DEEERN C[C@H](CCNC(=O)C1(C#N)CCCC1)NC(=O)OC(C)(C)C ZINC000194960935 340597624 /nfs/dbraw/zinc/59/76/24/340597624.db2.gz CEFSKCRYDJQSEI-GFCCVEGCSA-N 0 0 309.410 2.490 10 30 DEEERN C=CCn1cc(CNC(=O)C2CCc3ccccc3CC2)nn1 ZINC000529502346 340758198 /nfs/dbraw/zinc/75/81/98/340758198.db2.gz LZEOYMJXLBFWCT-UHFFFAOYSA-N 0 0 310.401 2.276 10 30 DEEERN C=CCCn1cc(C(=O)Nc2cncc(OCCC)c2)nn1 ZINC000529845968 340771431 /nfs/dbraw/zinc/77/14/31/340771431.db2.gz OOPVBKRYMLKIMH-UHFFFAOYSA-N 0 0 301.350 2.290 10 30 DEEERN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(C)(C#N)CC1 ZINC000541870022 340986515 /nfs/dbraw/zinc/98/65/15/340986515.db2.gz NAPNRBMETGNUHE-UHFFFAOYSA-N 0 0 324.450 2.395 10 30 DEEERN Cc1ccc(Br)cc1S(=O)(=O)NC(C)(C)C#N ZINC000544618376 341089483 /nfs/dbraw/zinc/08/94/83/341089483.db2.gz NPMNZDDRMNZBLI-UHFFFAOYSA-N 0 0 317.208 2.338 10 30 DEEERN C=CCn1c(N(C)C[C@H]2CCCCO2)nnc1[C@]1(C)CCCO1 ZINC000564292834 341135159 /nfs/dbraw/zinc/13/51/59/341135159.db2.gz SHBLHUJKYABADK-PBHICJAKSA-N 0 0 320.437 2.495 10 30 DEEERN C=CCn1c(CC)nnc1N1CCC[C@H](n2cc(C)cn2)C1 ZINC000548839095 341277575 /nfs/dbraw/zinc/27/75/75/341277575.db2.gz NVGNGWHSNPQLQL-AWEZNQCLSA-N 0 0 300.410 2.373 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000248392208 341376313 /nfs/dbraw/zinc/37/63/13/341376313.db2.gz DZLXQZDGBHNVCL-YNEHKIRRSA-N 0 0 309.410 2.488 10 30 DEEERN C=CC1CCN(c2nnc([C@H]3COCCO3)n2CC(C)C)CC1 ZINC000564740046 341508036 /nfs/dbraw/zinc/50/80/36/341508036.db2.gz BNHHDZCZZLXUQX-OAHLLOKOSA-N 0 0 320.437 2.424 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000564885657 341512369 /nfs/dbraw/zinc/51/23/69/341512369.db2.gz VJWQLXHDRLBJSE-IHRRRGAJSA-N 0 0 322.430 2.422 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc2ncccc2c1 ZINC000566136908 341548648 /nfs/dbraw/zinc/54/86/48/341548648.db2.gz PYFNFZYWKFKBNV-BBRMVZONSA-N 0 0 318.398 2.104 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CCC[C@@H](CC)C1 ZINC000572813394 341705035 /nfs/dbraw/zinc/70/50/35/341705035.db2.gz QMBZTYIEWDRQNG-CYBMUJFWSA-N 0 0 315.425 2.194 10 30 DEEERN Cc1cc(N2CC[C@@H](Nc3ccc(CC#N)cc3)C2=O)n(C)n1 ZINC000173822629 533901673 /nfs/dbraw/zinc/90/16/73/533901673.db2.gz QULOVYZIIHKASJ-OAHLLOKOSA-N 0 0 309.373 2.012 10 30 DEEERN C=CCC1(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CCCC1 ZINC000450032521 534592833 /nfs/dbraw/zinc/59/28/33/534592833.db2.gz MCUQJDCXXNORQU-HNNXBMFYSA-N 0 0 320.433 2.019 10 30 DEEERN C=CCC[C@@H](NC(=O)c1nc(C2CC2)oc1C)C(=O)OCC ZINC000456602017 534794298 /nfs/dbraw/zinc/79/42/98/534794298.db2.gz HASWMBGZVMKFCM-GFCCVEGCSA-N 0 0 306.362 2.488 10 30 DEEERN Cn1cnc2cc(C(=O)N[C@@H](CO)CC3CCCC3)cnc21 ZINC000328663691 534810226 /nfs/dbraw/zinc/81/02/26/534810226.db2.gz BJYUPWPJUXSSSY-CYBMUJFWSA-N 0 0 302.378 2.214 10 30 DEEERN Cc1nn(C)cc1[C@@H](C)NC(=O)NCC1CCC(C#N)CC1 ZINC000440999478 534838660 /nfs/dbraw/zinc/83/86/60/534838660.db2.gz DKHWWENYYXPQPU-LMWSTFAQSA-N 0 0 303.410 2.419 10 30 DEEERN C=CCN(CCOC)C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000191962350 526294787 /nfs/dbraw/zinc/29/47/87/526294787.db2.gz VPDFGXBAPBSEPY-HUUCEWRRSA-N 0 0 317.385 2.222 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)COCc1cc(C)no1 ZINC000337854090 526317710 /nfs/dbraw/zinc/31/77/10/526317710.db2.gz YPLNLHAWRUTXMJ-UHFFFAOYSA-N 0 0 304.346 2.350 10 30 DEEERN CC#CCCNC(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338659120 526318901 /nfs/dbraw/zinc/31/89/01/526318901.db2.gz LQKCBTNXDROLQK-GOSISDBHSA-N 0 0 300.402 2.136 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000159095884 526355587 /nfs/dbraw/zinc/35/55/87/526355587.db2.gz RMBWEEOFGKRYCT-UHFFFAOYSA-N 0 0 310.357 2.401 10 30 DEEERN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000424808981 526434592 /nfs/dbraw/zinc/43/45/92/526434592.db2.gz LNMDPCHNFDRAJQ-AWEZNQCLSA-N 0 0 304.438 2.416 10 30 DEEERN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000188619034 526521126 /nfs/dbraw/zinc/52/11/26/526521126.db2.gz OQHIFAGMLVGSTH-ZDUSSCGKSA-N 0 0 316.357 2.068 10 30 DEEERN C=C(C)COCCN1C(=O)CN(Cc2ccc(F)c(F)c2)C1=O ZINC000431862418 526626435 /nfs/dbraw/zinc/62/64/35/526626435.db2.gz AICAZBFYGKMKNH-UHFFFAOYSA-N 0 0 324.327 2.322 10 30 DEEERN C=CCNC(=O)c1ccc(N[C@@H](CO)c2ccsc2)nc1 ZINC000302299956 526655629 /nfs/dbraw/zinc/65/56/29/526655629.db2.gz YIQSCIHDHJYIIL-ZDUSSCGKSA-N 0 0 303.387 2.204 10 30 DEEERN C#CCC(CC#C)C(=O)N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000376990218 526671272 /nfs/dbraw/zinc/67/12/72/526671272.db2.gz BUQWDQZCMNKASN-INIZCTEOSA-N 0 0 314.385 2.072 10 30 DEEERN C#CCCCC(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000192151082 526677575 /nfs/dbraw/zinc/67/75/75/526677575.db2.gz AQNVJVIRUGRHLZ-HNNXBMFYSA-N 0 0 320.458 2.383 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000185026409 526699146 /nfs/dbraw/zinc/69/91/46/526699146.db2.gz WJXSMXJGIORESK-CYBMUJFWSA-N 0 0 324.446 2.155 10 30 DEEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCO[C@H](C)C1 ZINC000338806910 526729834 /nfs/dbraw/zinc/72/98/34/526729834.db2.gz ABHCKCQRYSLDBC-CQSZACIVSA-N 0 0 316.405 2.458 10 30 DEEERN C=CCOCCCC(=O)NCc1noc(-c2cccc(F)c2)n1 ZINC000372243406 526740885 /nfs/dbraw/zinc/74/08/85/526740885.db2.gz XHPUCRRDEVKIQT-UHFFFAOYSA-N 0 0 319.336 2.475 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCOc1ccc(F)cc1F ZINC000346196938 526763153 /nfs/dbraw/zinc/76/31/53/526763153.db2.gz YMAYHSJBIDTZRR-WFASDCNBSA-N 0 0 311.328 2.441 10 30 DEEERN C=CCOCCNC(=O)N1CCOC[C@H]1c1ccc(CC)o1 ZINC000375834316 526777465 /nfs/dbraw/zinc/77/74/65/526777465.db2.gz XJVBHAJYZCAQID-AWEZNQCLSA-N 0 0 308.378 2.128 10 30 DEEERN C=CCOCCNC(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1 ZINC000369930040 526779144 /nfs/dbraw/zinc/77/91/44/526779144.db2.gz KNONJOKYJVZXSD-MRXNPFEDSA-N 0 0 317.433 2.466 10 30 DEEERN C=CCOCCNC(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000371641345 526780126 /nfs/dbraw/zinc/78/01/26/526780126.db2.gz FMCMRAAVRLSTOL-HZPDHXFCSA-N 0 0 304.390 2.266 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1)OCC ZINC000339370674 526808215 /nfs/dbraw/zinc/80/82/15/526808215.db2.gz BNTVDCPZYQFCGG-HOTGVXAUSA-N 0 0 322.449 2.219 10 30 DEEERN C=CCOc1ccc(C(=O)N2CCNC[C@H]2c2cccnc2)cc1 ZINC000262053765 526839493 /nfs/dbraw/zinc/83/94/93/526839493.db2.gz VDIZEFAALZUAKU-SFHVURJKSA-N 0 0 323.396 2.433 10 30 DEEERN C=C1CCN(S(=O)(=O)c2ccccc2Cn2ccnc2)CC1 ZINC000442950704 526907939 /nfs/dbraw/zinc/90/79/39/526907939.db2.gz YVPGTYKAIFCDOL-UHFFFAOYSA-N 0 0 317.414 2.272 10 30 DEEERN C=CCSCCNC(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000338436248 526998097 /nfs/dbraw/zinc/99/80/97/526998097.db2.gz DTWAWBAUVQMOSD-UHFFFAOYSA-N 0 0 317.418 2.367 10 30 DEEERN C=CCC1(C(=O)NCc2nnc(SC)s2)CCOCC1 ZINC000424791986 527056317 /nfs/dbraw/zinc/05/63/17/527056317.db2.gz CLAUGFDMEJCPSL-UHFFFAOYSA-N 0 0 313.448 2.249 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000341661807 527065446 /nfs/dbraw/zinc/06/54/46/527065446.db2.gz UKCKDXUXRFJXQK-QWHCGFSZSA-N 0 0 322.405 2.249 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(C)nc1Br ZINC000183285111 527096124 /nfs/dbraw/zinc/09/61/24/527096124.db2.gz CSSZIYAUZAKUPV-VIFPVBQESA-N 0 0 314.183 2.211 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccc(OC)cc1OCC(C)C ZINC000191023880 527100047 /nfs/dbraw/zinc/10/00/47/527100047.db2.gz DQEXXIUILUUETG-ZDUSSCGKSA-N 0 0 307.390 2.397 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1scc(C)c1Br ZINC000191516021 527101286 /nfs/dbraw/zinc/10/12/86/527101286.db2.gz ZIALOTXEDWIZRE-QMMMGPOBSA-N 0 0 304.209 2.486 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](C(=O)OC)C1 ZINC000413822344 527108124 /nfs/dbraw/zinc/10/81/24/527108124.db2.gz KNVDBGAJDVLWBH-HOTGVXAUSA-N 0 0 316.401 2.378 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)N1CCC[C@H](COC)CC1 ZINC000411023440 527117002 /nfs/dbraw/zinc/11/70/02/527117002.db2.gz KVXOEJMVSJFGJO-INIZCTEOSA-N 0 0 324.465 2.466 10 30 DEEERN C=CCCCCCN(C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000151679114 527128693 /nfs/dbraw/zinc/12/86/93/527128693.db2.gz XMZJIXHEIMHYBR-ZIAGYGMSSA-N 0 0 304.456 2.019 10 30 DEEERN C=CC[C@H](C)NC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000342071011 527133336 /nfs/dbraw/zinc/13/33/36/527133336.db2.gz CYONYVMCXQKSBG-DZKIICNBSA-N 0 0 315.417 2.440 10 30 DEEERN C#CCSCCNC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000150985500 527142242 /nfs/dbraw/zinc/14/22/42/527142242.db2.gz HFFWVBBTGUTCDW-ZDUSSCGKSA-N 0 0 310.444 2.197 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(CC)[C@H](C)c1cccnc1 ZINC000297613649 527172405 /nfs/dbraw/zinc/17/24/05/527172405.db2.gz CDPZXPJWWZOLJJ-CQSZACIVSA-N 0 0 303.406 2.416 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC(F)(F)C[C@H]1CO ZINC000377251081 527172508 /nfs/dbraw/zinc/17/25/08/527172508.db2.gz FFCKZNFKBSLRPX-CABCVRRESA-N 0 0 322.355 2.033 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000341850430 527174283 /nfs/dbraw/zinc/17/42/83/527174283.db2.gz CYEBCBGMTYDASV-XIRDDKMYSA-N 0 0 318.417 2.248 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000341840447 527175713 /nfs/dbraw/zinc/17/57/13/527175713.db2.gz MGBFLNSHZAKEMP-QDEZUTFSSA-N 0 0 318.417 2.423 10 30 DEEERN C=CC[C@H](CO)CNC(=O)Nc1cc(OC)c(OC)cc1C ZINC000341779456 527177230 /nfs/dbraw/zinc/17/72/30/527177230.db2.gz UTYPPQGTDIYBPO-LBPRGKRZSA-N 0 0 308.378 2.318 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](COC)c1ccc(CC)o1 ZINC000289277740 527178641 /nfs/dbraw/zinc/17/86/41/527178641.db2.gz XLTRWEZKXYUTLS-CQSZACIVSA-N 0 0 322.405 2.070 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccccc1-n1nccc1C ZINC000184326160 527202465 /nfs/dbraw/zinc/20/24/65/527202465.db2.gz DOOREQPHBDLPNK-CYBMUJFWSA-N 0 0 300.362 2.239 10 30 DEEERN C=CCCCNC(=O)C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000359596340 527205971 /nfs/dbraw/zinc/20/59/71/527205971.db2.gz VOVIRDTWGDRCIE-UHFFFAOYSA-N 0 0 323.396 2.447 10 30 DEEERN C=CC[C@H](Cc1ccccc1)NC(=O)NCCCn1ccnn1 ZINC000413440293 527216958 /nfs/dbraw/zinc/21/69/58/527216958.db2.gz BROFFMHJCNXHAI-MRXNPFEDSA-N 0 0 313.405 2.155 10 30 DEEERN C#C[C@@H](C)NC(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000368494013 527221624 /nfs/dbraw/zinc/22/16/24/527221624.db2.gz DNDAIQUEURLEBS-GFCCVEGCSA-N 0 0 307.344 2.208 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cnc(C)nc1C1CC1 ZINC000411347168 527259320 /nfs/dbraw/zinc/25/93/20/527259320.db2.gz FHXUFJSUWHHXGB-LLVKDONJSA-N 0 0 316.405 2.462 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N1CCC[C@@H](OC)C1 ZINC000337866672 527319654 /nfs/dbraw/zinc/31/96/54/527319654.db2.gz QRVWICZLTVWIIT-OAHLLOKOSA-N 0 0 316.405 2.458 10 30 DEEERN C=CCCOCCN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000349005293 527339015 /nfs/dbraw/zinc/33/90/15/527339015.db2.gz ZMHRCYWDPOHREX-INIZCTEOSA-N 0 0 306.337 2.185 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)CC1CCCC1 ZINC000282194460 527352833 /nfs/dbraw/zinc/35/28/33/527352833.db2.gz GMNJDHOIPNCRBU-AWEZNQCLSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCNC[C@H]1c1ccccc1OC ZINC000262106349 527374724 /nfs/dbraw/zinc/37/47/24/527374724.db2.gz ZPUGJTCXZZKYJQ-HOCLYGCPSA-N 0 0 318.417 2.149 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000372024333 527393453 /nfs/dbraw/zinc/39/34/53/527393453.db2.gz FFZJIZOKXBQICM-HUUCEWRRSA-N 0 0 322.405 2.390 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CCC[C@@H]2c2nc(C)no2)cc1 ZINC000296606102 527435473 /nfs/dbraw/zinc/43/54/73/527435473.db2.gz HTTZEQZEVDFIAH-OAHLLOKOSA-N 0 0 310.357 2.406 10 30 DEEERN C#Cc1cccc(N(CC)C(=O)C[C@H]2CCOC[C@H]2OC)c1 ZINC000294484908 527440923 /nfs/dbraw/zinc/44/09/23/527440923.db2.gz GABGAMMROUGHPV-NVXWUHKLSA-N 0 0 301.386 2.462 10 30 DEEERN CC(C)(C#N)c1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000373574902 527489864 /nfs/dbraw/zinc/48/98/64/527489864.db2.gz FPLYUBMVOKCTLG-QGZVFWFLSA-N 0 0 322.412 2.300 10 30 DEEERN C=CCCn1cc(C(=O)N(CCC)CCc2ccccn2)nn1 ZINC000424628645 527516729 /nfs/dbraw/zinc/51/67/29/527516729.db2.gz PZDZMBURAZLGSE-UHFFFAOYSA-N 0 0 313.405 2.344 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CCC(NC(=O)C2CCC2)CC1 ZINC000370410017 527526629 /nfs/dbraw/zinc/52/66/29/527526629.db2.gz KVLQGZSAZUFSLA-SFHVURJKSA-N 0 0 322.449 2.123 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CCC(c2nnc(CC)[nH]2)CC1 ZINC000191598276 527528037 /nfs/dbraw/zinc/52/80/37/527528037.db2.gz WBSTZLGNDUKESP-KRWDZBQOSA-N 0 0 320.437 2.302 10 30 DEEERN C=CCN(C(=O)CSC)c1nc(C(=O)OCC)cs1 ZINC000337059794 527536002 /nfs/dbraw/zinc/53/60/02/527536002.db2.gz RKDGLXKJTXCLIN-UHFFFAOYSA-N 0 0 300.405 2.202 10 30 DEEERN C=CCN(C(=O)[C@@H](OC)C1CC1)c1nc(C(=O)OCC)cs1 ZINC000415019846 527543707 /nfs/dbraw/zinc/54/37/07/527543707.db2.gz WRHGWHILFRTERL-LBPRGKRZSA-N 0 0 324.402 2.264 10 30 DEEERN C=CCN(C)c1nnc([C@@H]2COCCO2)n1Cc1cccs1 ZINC000282850186 527579548 /nfs/dbraw/zinc/57/95/48/527579548.db2.gz BFJDGCYXORUNMZ-ZDUSSCGKSA-N 0 0 320.418 2.098 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(C(=O)OC)n1C ZINC000292997730 527587741 /nfs/dbraw/zinc/58/77/41/527587741.db2.gz OMJJJVVDYGIIGW-UHFFFAOYSA-N 0 0 304.268 2.002 10 30 DEEERN C=CCN(CC=C)C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181706158 527622969 /nfs/dbraw/zinc/62/29/69/527622969.db2.gz NDYUCNWMUZTACP-ZDUSSCGKSA-N 0 0 303.410 2.100 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCN(c2ccccc2)C[C@H]1CC ZINC000355804017 527628189 /nfs/dbraw/zinc/62/81/89/527628189.db2.gz BIRYUTVXYMRZKW-QAPCUYQASA-N 0 0 302.418 2.441 10 30 DEEERN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H](c2nccs2)C1 ZINC000249871862 527926970 /nfs/dbraw/zinc/92/69/70/527926970.db2.gz KCNNYQBAXHJXDM-CJNGLKHVSA-N 0 0 320.462 2.377 10 30 DEEERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N(CCC#N)CCC#N)CC2 ZINC000369653797 528322224 /nfs/dbraw/zinc/32/22/24/528322224.db2.gz JJPJQHJQOYSXSP-ZDUSSCGKSA-N 0 0 313.405 2.294 10 30 DEEERN CC(C)[C@@H]1C[C@H](CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCO1 ZINC000370069789 528774578 /nfs/dbraw/zinc/77/45/78/528774578.db2.gz KJQFREYNDDGZCO-PVAVHDDUSA-N 0 0 319.449 2.026 10 30 DEEERN CC(C)=C(F)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000191058655 535340574 /nfs/dbraw/zinc/34/05/74/535340574.db2.gz DGDSAIZSLBMKFA-CQSZACIVSA-N 0 0 315.348 2.039 10 30 DEEERN CCCn1c(=O)[nH]nc1SCCOc1ccc(C#N)cc1 ZINC000022153781 535579738 /nfs/dbraw/zinc/57/97/38/535579738.db2.gz JBKRVCKEMBAWQK-UHFFFAOYSA-N 0 0 304.375 2.024 10 30 DEEERN N#CC1(c2ccc(C(=O)N3CCC[C@H]3Cn3ccnn3)cc2)CC1 ZINC000299746233 563938875 /nfs/dbraw/zinc/93/88/75/563938875.db2.gz VYDRHKMZZTYPRV-INIZCTEOSA-N 0 0 321.384 2.138 10 30 DEEERN CCCOCC(=O)OCCOc1c(C#N)cnc2ccccc21 ZINC000102145557 649943821 /nfs/dbraw/zinc/94/38/21/649943821.db2.gz DKQFLNWSKMLTSP-UHFFFAOYSA-N 0 0 314.341 2.455 10 30 DEEERN CC1(C)CC[C@@H](CNC(=O)Cc2ccc(OCC#N)cc2)O1 ZINC000187329143 625422765 /nfs/dbraw/zinc/42/27/65/625422765.db2.gz DGFXJBGMAULXRQ-HNNXBMFYSA-N 0 0 302.374 2.205 10 30 DEEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)/C=C\c1ccccc1C#N ZINC000255636664 625575679 /nfs/dbraw/zinc/57/56/79/625575679.db2.gz DOUYXVQSDCUQRA-WHLNPGIBSA-N 0 0 307.357 2.123 10 30 DEEERN CC(C)CC(=O)N[C@H](C(=O)[C@@H](C#N)c1ccccn1)C(C)C ZINC000049457471 622567700 /nfs/dbraw/zinc/56/77/00/622567700.db2.gz JZSKMRWNJVQPIS-BBRMVZONSA-N 0 0 301.390 2.445 10 30 DEEERN C=C[C@H](C)OC(=O)c1cnn(CCO[C@H]2CCCCO2)c1C ZINC000187574501 622829846 /nfs/dbraw/zinc/82/98/46/622829846.db2.gz XXZHIFVQIJHPLQ-WFASDCNBSA-N 0 0 308.378 2.466 10 30 DEEERN N#C[C@H](OC(=O)c1ccc(OCC(F)(F)F)nc1)C1CC1 ZINC000177021878 625599932 /nfs/dbraw/zinc/59/99/32/625599932.db2.gz KKWLQNAGDDIZSX-JTQLQIEISA-N 0 0 300.236 2.482 10 30 DEEERN CC1CCC(N2C[C@H](C(=O)O[C@H](C#N)C3CC3)CC2=O)CC1 ZINC000177042210 625622143 /nfs/dbraw/zinc/62/21/43/625622143.db2.gz JUJOLTLZPBYIPH-JWZSIGGCSA-N 0 0 304.390 2.259 10 30 DEEERN C#CCN(c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])C1CCCC1 ZINC000804691138 623157823 /nfs/dbraw/zinc/15/78/23/623157823.db2.gz PQEGYVDGSCTFAN-UHFFFAOYSA-N 0 0 317.345 2.467 10 30 DEEERN N#Cc1cnccc1NC[C@@H](O)c1cccc(Br)c1 ZINC000804696393 623165219 /nfs/dbraw/zinc/16/52/19/623165219.db2.gz MSYUVDNGWJETDI-CQSZACIVSA-N 0 0 318.174 2.283 10 30 DEEERN COc1ccccc1[C@@H](O)CNC(=O)Nc1cccc(C#N)c1 ZINC000043329269 623189117 /nfs/dbraw/zinc/18/91/17/623189117.db2.gz RQIYJUGTEUKDRO-HNNXBMFYSA-N 0 0 311.341 2.422 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)Nc1nnnn1-c1ccc(C)cc1 ZINC000804808416 623250638 /nfs/dbraw/zinc/25/06/38/623250638.db2.gz SOGAFQFJSHNFHT-KRWDZBQOSA-N 0 0 317.396 2.439 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)Nc1ccnc(N2CCOCC2)n1 ZINC000804809028 623250972 /nfs/dbraw/zinc/25/09/72/623250972.db2.gz ZZJBWPMACNSXOT-KRWDZBQOSA-N 0 0 322.412 2.360 10 30 DEEERN C[C@@H](C#N)NS(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000160684230 624031393 /nfs/dbraw/zinc/03/13/93/624031393.db2.gz WWYLIPPUZPPJKI-UCUJLANTSA-N 0 0 315.192 2.251 10 30 DEEERN CNC(=O)c1cncc(/C=C\C(=O)OCc2ccc(C#N)cc2)c1 ZINC000255371682 624495838 /nfs/dbraw/zinc/49/58/38/624495838.db2.gz OCQFBXLUELUJAS-SREVYHEPSA-N 0 0 321.336 2.069 10 30 DEEERN C#Cc1cccc(NC(=O)c2cc(Cn3cc(C)cn3)on2)c1 ZINC000161494193 625099954 /nfs/dbraw/zinc/09/99/54/625099954.db2.gz ZDNFCUCMESSOSF-UHFFFAOYSA-N 0 0 306.325 2.461 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)c1coc(Br)c1 ZINC000122890250 625196950 /nfs/dbraw/zinc/19/69/50/625196950.db2.gz IKWNWBCAMLGCDD-UHFFFAOYSA-N 0 0 316.151 2.233 10 30 DEEERN CC1CCN(C(=S)SCC(=O)N[C@@H](C#N)C2CC2)CC1 ZINC000161926091 625253208 /nfs/dbraw/zinc/25/32/08/625253208.db2.gz LPQZBLLDEJXCPO-LBPRGKRZSA-N 0 0 311.476 2.155 10 30 DEEERN C#CCCNC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000733623355 633246277 /nfs/dbraw/zinc/24/62/77/633246277.db2.gz LQLWTXXIXOLZQR-GASCZTMLSA-N 0 0 315.417 2.441 10 30 DEEERN C#CCCNC(=O)C(=O)Nc1cccc(COc2ccccc2)c1 ZINC000733673918 633263003 /nfs/dbraw/zinc/26/30/03/633263003.db2.gz AGBLJVWUKIVJKL-UHFFFAOYSA-N 0 0 322.364 2.344 10 30 DEEERN C=C(COC(=O)c1cc(Cl)nc(N(C)C)c1)C(=O)OCC ZINC000734033880 633314641 /nfs/dbraw/zinc/31/46/41/633314641.db2.gz GJCHYBVOVAKBMM-UHFFFAOYSA-N 0 0 312.753 2.077 10 30 DEEERN C=CC[C@@H](NC(=O)Nc1cnn(CCOC)c1)c1ccncc1 ZINC000734514956 633377785 /nfs/dbraw/zinc/37/77/85/633377785.db2.gz FFOVMRWYFQWWFP-OAHLLOKOSA-N 0 0 315.377 2.363 10 30 DEEERN C=CC[C@@H](NS(=O)(=O)N1CCC[C@H](C)C1)c1ccncc1 ZINC000734500762 633380608 /nfs/dbraw/zinc/38/06/08/633380608.db2.gz GAVPBFYIXYKQCJ-DZGCQCFKSA-N 0 0 309.435 2.265 10 30 DEEERN C=C(C)COC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000734917203 633443898 /nfs/dbraw/zinc/44/38/98/633443898.db2.gz HNEXBKRIWLYLMQ-GDBMZVCRSA-N 0 0 303.358 2.334 10 30 DEEERN C#CCOc1cccc([C@@H](C)OC(=O)COC2CCOCC2)c1 ZINC000735400542 633507084 /nfs/dbraw/zinc/50/70/84/633507084.db2.gz UJGGUXKXGPLUNK-CQSZACIVSA-N 0 0 318.369 2.498 10 30 DEEERN C=C(COC(=O)Cc1ccccc1OC(F)F)C(=O)OCC ZINC000735731565 633529241 /nfs/dbraw/zinc/52/92/41/633529241.db2.gz CFECADDAZGBFOI-UHFFFAOYSA-N 0 0 314.284 2.493 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cc3occc3s2)CCN1C1CC1 ZINC000736018168 633562260 /nfs/dbraw/zinc/56/22/60/633562260.db2.gz HZXPHMHGWUIBBT-LLVKDONJSA-N 0 0 301.371 2.307 10 30 DEEERN CC1(C)CC[C@H](CNC(=O)NCc2ccc(OCC#N)cc2)O1 ZINC000186543205 636229859 /nfs/dbraw/zinc/22/98/59/636229859.db2.gz CMXMKCBLYMHMAP-OAHLLOKOSA-N 0 0 317.389 2.346 10 30 DEEERN C=C(Br)CNC(=O)c1ccc(CNC(C)=O)s1 ZINC000067238088 636360685 /nfs/dbraw/zinc/36/06/85/636360685.db2.gz UESAHVODKWZBBE-UHFFFAOYSA-N 0 0 317.208 2.023 10 30 DEEERN O=C(C#Cc1ccccc1)Nc1cn(Cc2ccccc2)nn1 ZINC000194523621 637567032 /nfs/dbraw/zinc/56/70/32/637567032.db2.gz WFQGYUAKARBYRK-UHFFFAOYSA-N 0 0 302.337 2.317 10 30 DEEERN C=CCNS(=O)(=O)c1ccc(C(=O)OCC2CC=CC2)cc1 ZINC000750372366 638018497 /nfs/dbraw/zinc/01/84/97/638018497.db2.gz IOHSONDBZIXWMR-UHFFFAOYSA-N 0 0 321.398 2.274 10 30 DEEERN C[C@@H](Cc1ccsc1)Nc1ccc(S(N)(=O)=O)cc1C#N ZINC000742395796 638067210 /nfs/dbraw/zinc/06/72/10/638067210.db2.gz ACAKHFKYZASPQS-JTQLQIEISA-N 0 0 321.427 2.310 10 30 DEEERN C[C@H](Cc1ccsc1)Nc1ccc(S(N)(=O)=O)cc1C#N ZINC000742395797 638067327 /nfs/dbraw/zinc/06/73/27/638067327.db2.gz ACAKHFKYZASPQS-SNVBAGLBSA-N 0 0 321.427 2.310 10 30 DEEERN C[C@H]1CCCC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1C#N ZINC000742397268 638067355 /nfs/dbraw/zinc/06/73/55/638067355.db2.gz OBHNEHDSLVLNJI-NWDGAFQWSA-N 0 0 307.419 2.444 10 30 DEEERN C=CCNC(=S)N[C@H](Cc1nccn1C)c1ccccc1 ZINC000743022700 638112815 /nfs/dbraw/zinc/11/28/15/638112815.db2.gz UMXRTRCXMYNKBU-CQSZACIVSA-N 0 0 300.431 2.354 10 30 DEEERN CCn1cc(NC(=S)NCc2ccc(OC)c(C#N)c2)cn1 ZINC000746535328 638353698 /nfs/dbraw/zinc/35/36/98/638353698.db2.gz YTXDEFOXRUWEFA-UHFFFAOYSA-N 0 0 315.402 2.270 10 30 DEEERN COc1ccc(CNC(=O)N[C@H](C)C2CCOCC2)cc1C#N ZINC000746746980 638374658 /nfs/dbraw/zinc/37/46/58/638374658.db2.gz CMXIIOYSYMRHMN-GFCCVEGCSA-N 0 0 317.389 2.181 10 30 DEEERN CCO[C@@H]1CCCN(C(=O)NCc2ccc(OC)c(C#N)c2)C1 ZINC000746773721 638376418 /nfs/dbraw/zinc/37/64/18/638376418.db2.gz YFXZWRSTVDJGEQ-OAHLLOKOSA-N 0 0 317.389 2.277 10 30 DEEERN COc1ccc(CNC(=O)N(C)Cc2cc(C)on2)cc1C#N ZINC000746784348 638377555 /nfs/dbraw/zinc/37/75/55/638377555.db2.gz DJUBDYZVFJSURR-UHFFFAOYSA-N 0 0 314.345 2.205 10 30 DEEERN COc1ccc(CNC(=O)Cc2cccc(C#N)c2)cc1C#N ZINC000746867310 638382405 /nfs/dbraw/zinc/38/24/05/638382405.db2.gz CETXIEXPLNRJPX-UHFFFAOYSA-N 0 0 305.337 2.297 10 30 DEEERN C#CCNC(=O)[C@@H](C)OC(=O)/C=C(/CC)c1ccc(OC)cc1 ZINC000747134706 638410981 /nfs/dbraw/zinc/41/09/81/638410981.db2.gz NFLCERHZOAKYMJ-NXXVSJRMSA-N 0 0 315.369 2.170 10 30 DEEERN COc1ccc(CNC(=O)N[C@H](CO)CC(C)(C)C)cc1C#N ZINC000747430516 638436392 /nfs/dbraw/zinc/43/63/92/638436392.db2.gz MHSPUKDPJZOCOB-AWEZNQCLSA-N 0 0 319.405 2.163 10 30 DEEERN O=C1[C@H](/N=C\c2cc(Cl)ccc2O)CCN1C1CCOCC1 ZINC000747863412 638485422 /nfs/dbraw/zinc/48/54/22/638485422.db2.gz BKYCPSIWENIFJD-FNHQQPGVSA-N 0 0 322.792 2.244 10 30 DEEERN C=C(C)CN(CC)C(=O)COC(=O)c1ccc(C#N)cc1C ZINC000748408625 638552429 /nfs/dbraw/zinc/55/24/29/638552429.db2.gz YSUPRWRSQRINJS-UHFFFAOYSA-N 0 0 300.358 2.448 10 30 DEEERN C=C(C)CNC(=S)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000748595473 638576780 /nfs/dbraw/zinc/57/67/80/638576780.db2.gz BOBHAQGFHKHWRD-ZDUSSCGKSA-N 0 0 311.495 2.310 10 30 DEEERN C#CCNC(=O)CN[C@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000749265224 638629887 /nfs/dbraw/zinc/62/98/87/638629887.db2.gz CIJATIMEMJFELK-HXUWFJFHSA-N 0 0 322.408 2.432 10 30 DEEERN CN(C)C(=O)[C@H](OC(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000750430566 638743775 /nfs/dbraw/zinc/74/37/75/638743775.db2.gz OXOCQTJZMFTGMM-GOSISDBHSA-N 0 0 322.364 2.473 10 30 DEEERN N#Cc1cccc(CC(=O)OCc2nc(-c3ccccn3)no2)c1 ZINC000750430071 638743938 /nfs/dbraw/zinc/74/39/38/638743938.db2.gz KGOMEHQLBMWGKW-UHFFFAOYSA-N 0 0 320.308 2.289 10 30 DEEERN CC(C)CCNC(=O)[C@@H](C)OC(=O)Cc1cccc(C#N)c1 ZINC000750434299 638744693 /nfs/dbraw/zinc/74/46/93/638744693.db2.gz QXVCFIFANPQVRP-CYBMUJFWSA-N 0 0 302.374 2.195 10 30 DEEERN N#Cc1ccc(CNC(=O)COC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1 ZINC000750914941 639042885 /nfs/dbraw/zinc/04/28/85/639042885.db2.gz ZSBXTUMKKYFIAA-QLPKVWCKSA-N 0 0 312.369 2.154 10 30 DEEERN C#CCCNC(=O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000752015673 639146677 /nfs/dbraw/zinc/14/66/77/639146677.db2.gz YRMAFXMDNRERBW-QGZVFWFLSA-N 0 0 300.402 2.443 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)C(C)(C)C ZINC000805146485 639839857 /nfs/dbraw/zinc/83/98/57/639839857.db2.gz IFFOAJQGTWPBAF-CQSZACIVSA-N 0 0 319.382 2.119 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1ccc2c(c1)N(C)CCC2)C(C)(C)C ZINC000805149020 639849661 /nfs/dbraw/zinc/84/96/61/639849661.db2.gz TWTNKWXCKUFTOP-MRXNPFEDSA-N 0 0 320.458 2.395 10 30 DEEERN C=CCc1ccc(OCC(=O)Oc2cnn(C)c2)c(OC)c1 ZINC000179030092 639937579 /nfs/dbraw/zinc/93/75/79/639937579.db2.gz UJOKQYKEUIKEMM-UHFFFAOYSA-N 0 0 302.330 2.142 10 30 DEEERN C=CCNC(=O)NC(=O)COC(=O)/C=C(\CC)c1ccccc1 ZINC000729022098 639940644 /nfs/dbraw/zinc/94/06/44/639940644.db2.gz XTNMMEIRRGVXAG-ACCUITESSA-N 0 0 316.357 2.035 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1nc(C)no1 ZINC000805186125 640110191 /nfs/dbraw/zinc/11/01/91/640110191.db2.gz ZMHVIXUOBICJGH-IUODEOHRSA-N 0 0 312.373 2.373 10 30 DEEERN C=CCN(CC(=O)OCC)C(=O)[C@H](C)Oc1ccc(OC)cc1 ZINC000322050005 640704137 /nfs/dbraw/zinc/70/41/37/640704137.db2.gz KLQIBGNNVHAPDU-ZDUSSCGKSA-N 0 0 321.373 2.040 10 30 DEEERN C=CCOCC(=O)O[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000729766872 640840957 /nfs/dbraw/zinc/84/09/57/640840957.db2.gz ZZYIVTLMYIBRBI-GFCCVEGCSA-N 0 0 321.398 2.260 10 30 DEEERN Cc1nc2c(nccc2C(=O)N(CCC#N)Cc2cccnc2)[nH]1 ZINC000436134424 643091343 /nfs/dbraw/zinc/09/13/43/643091343.db2.gz SQLAPKMNBJNZRI-UHFFFAOYSA-N 0 0 320.356 2.217 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCCOCC1 ZINC000805784574 643255721 /nfs/dbraw/zinc/25/57/21/643255721.db2.gz OWVYDHLXFJQOPP-IRXDYDNUSA-N 0 0 300.402 2.489 10 30 DEEERN COC(=O)c1ccoc1C(=O)OCc1cc(C#N)ccc1OC ZINC000800267101 645248118 /nfs/dbraw/zinc/24/81/18/645248118.db2.gz RQMMWJYAWAFYJZ-UHFFFAOYSA-N 0 0 315.281 2.303 10 30 DEEERN C=C[C@H](N[C@@H](C)c1ccc(N2CCCC2=O)cc1)C(=O)OC ZINC000800368748 645262862 /nfs/dbraw/zinc/26/28/62/645262862.db2.gz BMYSFLXPYKXMNO-WFASDCNBSA-N 0 0 302.374 2.192 10 30 DEEERN N#CCn1c(C(=O)N2CCO[C@@H](C(F)F)C2)cc2ccccc21 ZINC000801006148 645328754 /nfs/dbraw/zinc/32/87/54/645328754.db2.gz CXATWXWKGGLFRU-CQSZACIVSA-N 0 0 319.311 2.271 10 30 DEEERN CC#CC(=O)N[C@@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000801187963 645349745 /nfs/dbraw/zinc/34/97/45/645349745.db2.gz SJBZNBBIDVUWHD-CJNGLKHVSA-N 0 0 310.319 2.379 10 30 DEEERN C#CCC[C@H](O)CNC(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000801857311 645452341 /nfs/dbraw/zinc/45/23/41/645452341.db2.gz YCLLWOKFNWWNRG-JTQLQIEISA-N 0 0 315.295 2.305 10 30 DEEERN CC(C)Cn1c(C(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC000802679484 645543384 /nfs/dbraw/zinc/54/33/84/645543384.db2.gz NHROCAPYPXTICD-OAHLLOKOSA-N 0 0 316.453 2.234 10 30 DEEERN CC(=NN[C@H](C)CCc1ccc2c(c1)OCO2)c1cn[nH]c1 ZINC000802714531 645546305 /nfs/dbraw/zinc/54/63/05/645546305.db2.gz PZFSCKDOUWRACG-LLVKDONJSA-N 0 0 300.362 2.473 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc2nnn(C)c2c1 ZINC000803521412 645667506 /nfs/dbraw/zinc/66/75/06/645667506.db2.gz GQRUDGQWBWZQJW-MRXNPFEDSA-N 0 0 318.380 2.333 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)OC)co1 ZINC000803524206 645668784 /nfs/dbraw/zinc/66/87/84/645668784.db2.gz XHMAAZNLZOJDLO-OAHLLOKOSA-N 0 0 311.337 2.431 10 30 DEEERN C/C(=C\c1ccc(Cl)cc1)C(=O)NCCn1cnc(C#N)n1 ZINC000803550657 645670681 /nfs/dbraw/zinc/67/06/81/645670681.db2.gz NFJJHMZYRZZPKM-DHZHZOJOSA-N 0 0 315.764 2.023 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N(C)Cc1ccccc1C ZINC000803699268 645681470 /nfs/dbraw/zinc/68/14/70/645681470.db2.gz XHYMVMRQHAXYAH-UHFFFAOYSA-N 0 0 311.381 2.159 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1cc(C(=O)OC)ccc1F ZINC000803699478 645681496 /nfs/dbraw/zinc/68/14/96/645681496.db2.gz DMIWXMSXLUOLOF-UHFFFAOYSA-N 0 0 302.301 2.318 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1cc(=O)oc2cc(O)ccc12 ZINC000803700699 645682547 /nfs/dbraw/zinc/68/25/47/645682547.db2.gz ZZMBOUUNRJIODU-UHFFFAOYSA-N 0 0 310.305 2.205 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000803701612 645682796 /nfs/dbraw/zinc/68/27/96/645682796.db2.gz ZCNVOSBGTRBGLA-RDJZCZTQSA-N 0 0 315.413 2.374 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1nc(CC)oc1C ZINC000803913628 645715704 /nfs/dbraw/zinc/71/57/04/645715704.db2.gz KOLHBBJXUQKESJ-LBPRGKRZSA-N 0 0 306.362 2.291 10 30 DEEERN C=C(Br)CN1C(=O)N[C@@H](CCOC(C)(C)C)C1=O ZINC000804183753 645734395 /nfs/dbraw/zinc/73/43/95/645734395.db2.gz APPZKVFCQAIXPR-VIFPVBQESA-N 0 0 319.199 2.021 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1c(C)nc(N)nc1C ZINC000804459405 645773977 /nfs/dbraw/zinc/77/39/77/645773977.db2.gz VEJMCWLYCLYVTM-HNNXBMFYSA-N 0 0 308.385 2.040 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000806369584 645823233 /nfs/dbraw/zinc/82/32/33/645823233.db2.gz ALCHQVVRZCTMDB-UHFFFAOYSA-N 0 0 322.408 2.202 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000806500117 645839036 /nfs/dbraw/zinc/83/90/36/645839036.db2.gz SQJYAASWGBBDFM-UHFFFAOYSA-N 0 0 308.381 2.410 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000807111499 645913137 /nfs/dbraw/zinc/91/31/37/645913137.db2.gz JPNRBSDYSMWDHH-HNNXBMFYSA-N 0 0 305.443 2.210 10 30 DEEERN C#CC[C@H](NC(=O)C1CN(CC(F)(F)F)C1)c1ccccc1 ZINC000807163938 645918318 /nfs/dbraw/zinc/91/83/18/645918318.db2.gz TUZIPSWWXVQJEP-AWEZNQCLSA-N 0 0 310.319 2.361 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1CCO ZINC000807465314 645953780 /nfs/dbraw/zinc/95/37/80/645953780.db2.gz AVUICMMEIBPGRI-IAGOWNOFSA-N 0 0 300.402 2.177 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000807467868 645954136 /nfs/dbraw/zinc/95/41/36/645954136.db2.gz IUFBXANDPOTMNV-RCCFBDPRSA-N 0 0 314.429 2.471 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CCCc2nc(C)sc21 ZINC000807643476 645974156 /nfs/dbraw/zinc/97/41/56/645974156.db2.gz AHCMFRIAHHNCOI-CYBMUJFWSA-N 0 0 321.446 2.370 10 30 DEEERN N#C[C@@H](C(=O)CSCC(F)(F)F)C(=O)NC1CCCCC1 ZINC000156041811 646059030 /nfs/dbraw/zinc/05/90/30/646059030.db2.gz UZYIRZIMNQFYDV-JTQLQIEISA-N 0 0 322.352 2.440 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)c1ccccc1 ZINC000075696363 646668598 /nfs/dbraw/zinc/66/85/98/646668598.db2.gz HTMJYKVLWNOGJI-CZUORRHYSA-N 0 0 310.353 2.175 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)c1ccccc1 ZINC000075696356 646668701 /nfs/dbraw/zinc/66/87/01/646668701.db2.gz HTMJYKVLWNOGJI-XJKSGUPXSA-N 0 0 310.353 2.175 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)[C@H]1C[C@H]1c1cccc(OC)c1 ZINC000730347903 646958687 /nfs/dbraw/zinc/95/86/87/646958687.db2.gz JFMMLDDENHJKJW-CQDKDKBSSA-N 0 0 303.358 2.033 10 30 DEEERN C#C[C@@H](OC(=O)CSCC(=O)N(C)C1CCCCC1)C1CC1 ZINC000152429997 647162347 /nfs/dbraw/zinc/16/23/47/647162347.db2.gz VMAMVCLXYNYAMY-OAHLLOKOSA-N 0 0 323.458 2.466 10 30 DEEERN C#CCOc1ccc([C@@H](C)OC(=O)CNC(=O)CCC)cc1 ZINC000730429878 647193050 /nfs/dbraw/zinc/19/30/50/647193050.db2.gz OAUNYHCZVFNBRK-CYBMUJFWSA-N 0 0 303.358 2.219 10 30 DEEERN C#C[C@H](OC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)C1CC1 ZINC000152655352 647243859 /nfs/dbraw/zinc/24/38/59/647243859.db2.gz XQZYDOWYWXINBQ-KBPBESRZSA-N 0 0 307.415 2.033 10 30 DEEERN C[C@H](OC(=O)C1=COCCC1)C(=O)Nc1cccc(C#N)c1 ZINC000730851775 647420651 /nfs/dbraw/zinc/42/06/51/647420651.db2.gz DWAVDWQUOVEKPZ-NSHDSACASA-N 0 0 300.314 2.123 10 30 DEEERN C=CCOc1ccccc1CNC(=S)NC[C@H]1CCCO1 ZINC000731946638 647527592 /nfs/dbraw/zinc/52/75/92/647527592.db2.gz UNMYZHXEXLFTFR-CQSZACIVSA-N 0 0 306.431 2.395 10 30 DEEERN CC[C@@H](Nc1ccccc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732677937 647638525 /nfs/dbraw/zinc/63/85/25/647638525.db2.gz GIQNSQRUXWZRJM-DLBZAZTESA-N 0 0 312.417 2.076 10 30 DEEERN C#CC[C@H](OC(=O)CN1C(=O)CSc2ccccc21)C1CC1 ZINC000175341974 648343908 /nfs/dbraw/zinc/34/39/08/648343908.db2.gz XSRBSFDMUZJLRP-AWEZNQCLSA-N 0 0 315.394 2.470 10 30 DEEERN N#Cc1cccnc1N1CCN(Cc2cnc(Cl)s2)CC1 ZINC000175405910 648346618 /nfs/dbraw/zinc/34/66/18/648346618.db2.gz FHFIAPZUTGAARW-UHFFFAOYSA-N 0 0 319.821 2.385 10 30 DEEERN C=C[C@@H](CC)OC(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000181253471 648594005 /nfs/dbraw/zinc/59/40/05/648594005.db2.gz AMQKPGKQAXWPPN-AWEZNQCLSA-N 0 0 309.387 2.348 10 30 DEEERN C#CCCNC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000733287711 649537257 /nfs/dbraw/zinc/53/72/57/649537257.db2.gz NPAJHAXJZDKOBN-KRWDZBQOSA-N 0 0 306.365 2.297 10 30 DEEERN C#CCCNC(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000733340880 649550294 /nfs/dbraw/zinc/55/02/94/649550294.db2.gz JETJRIDGBXIGFB-UHFFFAOYSA-N 0 0 314.311 2.225 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000733357373 649553697 /nfs/dbraw/zinc/55/36/97/649553697.db2.gz CGEJDLYUPXDSHO-AWEZNQCLSA-N 0 0 312.398 2.241 10 30 DEEERN C#CCCNC(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000733355971 649553955 /nfs/dbraw/zinc/55/39/55/649553955.db2.gz HBWULRTXKXGCHY-LBPRGKRZSA-N 0 0 300.280 2.061 10 30 DEEERN C#CCOc1ccccc1OC(=O)CCOC[C@@H]1CCCO1 ZINC000107190935 651423542 /nfs/dbraw/zinc/42/35/42/651423542.db2.gz PQQQROFBDANNMC-AWEZNQCLSA-N 0 0 304.342 2.190 10 30 DEEERN C=C(Br)CNC(=O)c1ccc(-c2ncon2)cc1 ZINC000107232357 651427183 /nfs/dbraw/zinc/42/71/83/651427183.db2.gz GUDMIWZVORYRAJ-UHFFFAOYSA-N 0 0 308.135 2.375 10 30 DEEERN COc1ccccc1[C@H](O)CNC(=O)Nc1cccc(C#N)c1 ZINC000043329268 683900238 /nfs/dbraw/zinc/90/02/38/683900238.db2.gz RQIYJUGTEUKDRO-OAHLLOKOSA-N 0 0 311.341 2.422 10 30 DEEERN C#CC[C@@H](OC(=O)c1ccc(OCCCOC)nc1)C1CC1 ZINC000079211021 683971059 /nfs/dbraw/zinc/97/10/59/683971059.db2.gz VXQKGPWOXNDGAU-OAHLLOKOSA-N 0 0 303.358 2.456 10 30 DEEERN O=C(C#Cc1ccccc1)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000081749131 683994135 /nfs/dbraw/zinc/99/41/35/683994135.db2.gz DPNNRNJNAHUNBC-GOSISDBHSA-N 0 0 318.376 2.350 10 30 DEEERN C=CCC[C@@H](C)OC(=O)CCNS(=O)(=O)c1cccs1 ZINC000089319890 684021881 /nfs/dbraw/zinc/02/18/81/684021881.db2.gz BKAMVNRLIKESPZ-LLVKDONJSA-N 0 0 317.432 2.314 10 30 DEEERN C#CCOCCC(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000089855099 684027547 /nfs/dbraw/zinc/02/75/47/684027547.db2.gz HFBPRERGFNBZFN-UHFFFAOYSA-N 0 0 323.339 2.127 10 30 DEEERN Cc1cccn2c1ncc(C(=O)OCc1ccc(C#N)cc1)c2=O ZINC000091090738 684034072 /nfs/dbraw/zinc/03/40/72/684034072.db2.gz QVZREHQMOLWMNQ-UHFFFAOYSA-N 0 0 319.320 2.232 10 30 DEEERN CC(C)CC[C@@](C)(O)CNC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000121782076 684109430 /nfs/dbraw/zinc/10/94/30/684109430.db2.gz FTUYMDUNCPXJMP-GOSISDBHSA-N 0 0 317.385 2.070 10 30 DEEERN C#Cc1cccc(N(C)C(=O)c2cc(S(C)(=O)=O)cs2)c1 ZINC000124923051 684140120 /nfs/dbraw/zinc/14/01/20/684140120.db2.gz IAJPEFZUTVVEIP-UHFFFAOYSA-N 0 0 319.407 2.410 10 30 DEEERN C#CCOc1cccc(COC(=O)CN(C)[C@@H]2CCSC2)c1 ZINC000125639514 684147313 /nfs/dbraw/zinc/14/73/13/684147313.db2.gz VELAXSGAPDJDJZ-OAHLLOKOSA-N 0 0 319.426 2.179 10 30 DEEERN CCc1ccc(C(=O)CCC(=O)[C@@H](C#N)C(=O)NC(C)C)cc1 ZINC000130597744 684190713 /nfs/dbraw/zinc/19/07/13/684190713.db2.gz FDNSOLWXKLIWKJ-OAHLLOKOSA-N 0 0 314.385 2.445 10 30 DEEERN COc1ccc(CNC(=O)[C@@H](C#N)C(=O)CCCSC)cc1 ZINC000131051859 684196088 /nfs/dbraw/zinc/19/60/88/684196088.db2.gz BBAKBIRUSZWCEH-AWEZNQCLSA-N 0 0 320.414 2.163 10 30 DEEERN CC(=O)CCN(C)C(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000135196139 684233405 /nfs/dbraw/zinc/23/34/05/684233405.db2.gz XVCRCRHLDBQGAP-UHFFFAOYSA-N 0 0 319.430 2.408 10 30 DEEERN CCCC[C@H](NC(=O)NCC)C(=O)[C@@H](C#N)c1ccccn1 ZINC000155961556 684282614 /nfs/dbraw/zinc/28/26/14/684282614.db2.gz XXUONADPVSWUHG-JSGCOSHPSA-N 0 0 302.378 2.136 10 30 DEEERN C#CCCCNC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000179065888 684333765 /nfs/dbraw/zinc/33/37/65/684333765.db2.gz UEFMXMGPWHBFMX-DOMZBBRYSA-N 0 0 308.328 2.196 10 30 DEEERN COc1cnccc1[C@H](C)NC(=O)c1ccccc1OCC#N ZINC000189647584 684385806 /nfs/dbraw/zinc/38/58/06/684385806.db2.gz CTDGFODJXDJTNA-LBPRGKRZSA-N 0 0 311.341 2.484 10 30 DEEERN C#C[C@H](OC(=O)c1ccc(OC)cc1OCCOC)C1CC1 ZINC000190830951 684414998 /nfs/dbraw/zinc/41/49/98/684414998.db2.gz YWOKEVPLIKLLJI-HNNXBMFYSA-N 0 0 304.342 2.289 10 30 DEEERN C#CCCCC(=O)OC[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000191331358 684425668 /nfs/dbraw/zinc/42/56/68/684425668.db2.gz BEKITBQMBARBLJ-QGZVFWFLSA-N 0 0 313.397 2.424 10 30 DEEERN N#C[C@H](OC(=O)CCOCC(F)(F)C(F)(F)F)C1CC1 ZINC000192240938 684445557 /nfs/dbraw/zinc/44/55/57/684445557.db2.gz WXOCIEMYOQHALH-QMMMGPOBSA-N 0 0 301.211 2.436 10 30 DEEERN C=C[C@](C)(CCOC)COC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000192437063 684450039 /nfs/dbraw/zinc/45/00/39/684450039.db2.gz XUHGKLZEIPFLGD-CQSZACIVSA-N 0 0 311.338 2.197 10 30 DEEERN C=CCOC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000194584517 685070467 /nfs/dbraw/zinc/07/04/67/685070467.db2.gz PJZOQDKWWGDHAR-UHFFFAOYSA-N 0 0 313.147 2.492 10 30 DEEERN C[N+]1(CCCNC(=O)/C(=N/[O-])c2ccccc2)CCCCC1 ZINC000059181848 717131433 /nfs/dbraw/zinc/13/14/33/717131433.db2.gz LZEXDWHUMRCFPF-UHFFFAOYSA-O 0 0 304.414 2.002 10 30 DEEERN N#CC1(NC(=O)CSc2nc(CO)cs2)CCCCC1 ZINC000723393814 777107197 /nfs/dbraw/zinc/10/71/97/777107197.db2.gz MPARZJLMYFAVNJ-UHFFFAOYSA-N 0 0 311.432 2.070 10 30 DEEERN C#Cc1ccc(C(=O)Nc2ccc(OC)c(OC)c2OC)nc1 ZINC000728825821 778523466 /nfs/dbraw/zinc/52/34/66/778523466.db2.gz IVVANUZHQMUIET-UHFFFAOYSA-N 0 0 312.325 2.341 10 30 DEEERN CC(C)(C)OC(=O)N1C[C@H](NCc2cc(C#N)cs2)CO1 ZINC000722488389 778738950 /nfs/dbraw/zinc/73/89/50/778738950.db2.gz BGGOLOZXSBBCEU-NSHDSACASA-N 0 0 309.391 2.260 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1nc(C)ncc1Cl ZINC000745379943 784726903 /nfs/dbraw/zinc/72/69/03/784726903.db2.gz XODNIECTCHMZSY-SNVBAGLBSA-N 0 0 323.780 2.184 10 30 DEEERN C#CCN1CCC(NC(=O)CCC(=O)c2ccc(C)cc2)CC1 ZINC000586051493 791866905 /nfs/dbraw/zinc/86/69/05/791866905.db2.gz QECWRWOWKOYYFV-UHFFFAOYSA-N 0 0 312.413 2.172 10 30 DEEERN CN(Cc1ccc(C#N)cc1Cl)CC(C)(C)S(C)(=O)=O ZINC000713898372 792247225 /nfs/dbraw/zinc/24/72/25/792247225.db2.gz NJXODCOZXTVRBO-UHFFFAOYSA-N 0 0 314.838 2.467 10 30 DEEERN N#C[C@H]1CCCN(C(=O)c2nscc2Br)C1 ZINC000404792024 802031088 /nfs/dbraw/zinc/03/10/88/802031088.db2.gz RMUYZLQJVGJXFR-SSDOTTSWSA-N 0 0 300.181 2.281 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)CC(OCC)OCC)cc1 ZINC000407396631 802212397 /nfs/dbraw/zinc/21/23/97/802212397.db2.gz CTAQXRJMCOLUDM-UHFFFAOYSA-N 0 0 320.389 2.330 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000398185353 1082241726 /nfs/dbraw/zinc/24/17/26/1082241726.db2.gz YRSGDCLFGSEETI-LLVKDONJSA-N 0 0 310.419 2.147 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)NC1(C)CC(F)(F)C1 ZINC000720993463 1085282624 /nfs/dbraw/zinc/28/26/24/1085282624.db2.gz KURCGNMBJTXCQK-UHFFFAOYSA-N 0 0 300.330 2.333 10 30 DEEERN C[C@@H](CN(C)C(=O)OC(C)(C)C)NCc1nc(C#N)cs1 ZINC000701898771 1086391554 /nfs/dbraw/zinc/39/15/54/1086391554.db2.gz JSPQNWYYOHSXLM-JTQLQIEISA-N 0 0 310.423 2.360 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000703630835 1086527880 /nfs/dbraw/zinc/52/78/80/1086527880.db2.gz MEKBOTGRESSXDR-VIFPVBQESA-N 0 0 304.774 2.461 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)NCC[C@@H]1CCSC1 ZINC000704785770 1086591208 /nfs/dbraw/zinc/59/12/08/1086591208.db2.gz DQIKTQCQCDYDHD-GFCCVEGCSA-N 0 0 310.444 2.288 10 30 DEEERN C#CC1(O)CCN(Cc2ccc(OC)c(Br)c2)CC1 ZINC000708103520 1086676768 /nfs/dbraw/zinc/67/67/68/1086676768.db2.gz WBWOQPFFQOFDSW-UHFFFAOYSA-N 0 0 324.218 2.418 10 30 DEEERN C#CC1(O)CCN(C(=O)c2cc(Br)ccc2C)CC1 ZINC000708137188 1086676777 /nfs/dbraw/zinc/67/67/77/1086676777.db2.gz RGJXKXRDWPFWBZ-UHFFFAOYSA-N 0 0 322.202 2.358 10 30 DEEERN CN(C1(C(F)(F)F)CC1)S(=O)(=O)c1ccc(C#N)s1 ZINC000720344349 1088365151 /nfs/dbraw/zinc/36/51/51/1088365151.db2.gz JOVOMWMCDAICNL-UHFFFAOYSA-N 0 0 310.322 2.335 10 30 DEEERN C#CC[C@@H](COC)NCc1nc(C)c(Br)s1 ZINC000719275582 1088918706 /nfs/dbraw/zinc/91/87/06/1088918706.db2.gz WBUKHRCIHBYNEO-VIFPVBQESA-N 0 0 303.225 2.342 10 30 DEEERN CC[C@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)CCS1 ZINC000720035900 1089428270 /nfs/dbraw/zinc/42/82/70/1089428270.db2.gz GNZPIUVVNRWJSZ-LBPRGKRZSA-N 0 0 314.407 2.213 10 30 DEEERN O=C(C#Cc1ccccc1)NCc1cc(Br)no1 ZINC000719381166 1092120424 /nfs/dbraw/zinc/12/04/24/1092120424.db2.gz AUCNDDZIDDVCAO-UHFFFAOYSA-N 0 0 305.131 2.105 10 30 DEEERN C=CCNC(=O)c1sc(CNC(=O)OC(C)(C)C)nc1C ZINC000074625065 185003758 /nfs/dbraw/zinc/00/37/58/185003758.db2.gz YVAKQDRBVBPIBE-UHFFFAOYSA-N 0 0 311.407 2.392 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(CS(C)(=O)=O)cc1 ZINC000278327505 214092615 /nfs/dbraw/zinc/09/26/15/214092615.db2.gz WLMICHUJEUTSLI-HUUCEWRRSA-N 0 0 323.414 2.151 10 30 DEEERN C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[C@H]2COC[C@@H]2C1 ZINC000624844422 365568444 /nfs/dbraw/zinc/56/84/44/365568444.db2.gz TWTMDVIULZZACB-CBBWQLFWSA-N 0 0 318.421 2.177 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000612320622 361792265 /nfs/dbraw/zinc/79/22/65/361792265.db2.gz UQUGESXIVHYXDJ-LSDHHAIUSA-N 0 0 322.430 2.119 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(CCOC)CCCC1 ZINC000612388596 361812485 /nfs/dbraw/zinc/81/24/85/361812485.db2.gz UGKBYRSGOGDNFN-OAHLLOKOSA-N 0 0 310.438 2.170 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cccnc1OCC(F)F ZINC000624980628 365606709 /nfs/dbraw/zinc/60/67/09/365606709.db2.gz KLYHAGVUSZUANY-UHFFFAOYSA-N 0 0 320.361 2.312 10 30 DEEERN C=CCCCN(C)c1nnc(-c2cn[nH]c2)n1C[C@@H]1CCCO1 ZINC000625096530 365641399 /nfs/dbraw/zinc/64/13/99/365641399.db2.gz HXTOOWBBWTVEJI-AWEZNQCLSA-N 0 0 316.409 2.250 10 30 DEEERN N#Cc1cccc(S(=O)(=O)CCSc2ncccc2N)c1 ZINC000163304001 197622698 /nfs/dbraw/zinc/62/26/98/197622698.db2.gz YIXLHHVQJBNOHW-UHFFFAOYSA-N 0 0 319.411 2.101 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(N)c(Br)c1 ZINC000078894580 185124210 /nfs/dbraw/zinc/12/42/10/185124210.db2.gz YZPJPKFSISKOBT-JOYOIKCWSA-N 0 0 308.179 2.453 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](CCCO)c1ccccc1 ZINC000612506350 361845735 /nfs/dbraw/zinc/84/57/35/361845735.db2.gz XQOPWOYYCRXITI-SJORKVTESA-N 0 0 318.417 2.087 10 30 DEEERN C[C@@]1(C(=O)NCc2cccc(C#CCCO)c2)CCCS1 ZINC000164886742 197666063 /nfs/dbraw/zinc/66/60/63/197666063.db2.gz CLQIBOCNTCRAOU-KRWDZBQOSA-N 0 0 303.427 2.322 10 30 DEEERN Cc1ccc(C#CCO)cc1C(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000087746405 185231133 /nfs/dbraw/zinc/23/11/33/185231133.db2.gz CEOWXABOLFCBKL-KBPBESRZSA-N 0 0 303.427 2.305 10 30 DEEERN CCn1cc(N)c(C(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000087875192 185234021 /nfs/dbraw/zinc/23/40/21/185234021.db2.gz FQWYYEVTPBRFQE-UHFFFAOYSA-N 0 0 301.375 2.159 10 30 DEEERN N#Cc1ccc(NC(=O)[C@@H]2CSCN2)cc1C(F)(F)F ZINC000088191433 185241329 /nfs/dbraw/zinc/24/13/29/185241329.db2.gz ZESOUGDUQXNPSD-JTQLQIEISA-N 0 0 301.293 2.178 10 30 DEEERN N#CCNC(=O)CNc1c2nsnc2c(Cl)cc1Cl ZINC000088119960 185239974 /nfs/dbraw/zinc/23/99/74/185239974.db2.gz RYOHDIHVUQLFPN-UHFFFAOYSA-N 0 0 316.173 2.050 10 30 DEEERN Cc1ncsc1CNC(=O)c1cccc(C#CCO)c1C ZINC000088443465 185251042 /nfs/dbraw/zinc/25/10/42/185251042.db2.gz HPWCSMVIEZWIHC-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)c1sc2c(c(C)nn2C)c1N ZINC000088642078 185261058 /nfs/dbraw/zinc/26/10/58/185261058.db2.gz WPMNJMPNZUGZFH-QMMMGPOBSA-N 0 0 305.407 2.147 10 30 DEEERN N#Cc1csc(C(=O)Nc2c[nH]cc(Br)c2=O)c1 ZINC000089990021 185274955 /nfs/dbraw/zinc/27/49/55/185274955.db2.gz ZIZVLCUPALVKDW-UHFFFAOYSA-N 0 0 324.159 2.323 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1nc(C)nn1-c1ccc(C#N)cc1 ZINC000613400404 362100589 /nfs/dbraw/zinc/10/05/89/362100589.db2.gz JFVCIDSTDDHCMS-GFCCVEGCSA-N 0 0 309.373 2.410 10 30 DEEERN C=CC[C@H]1CCCN(S(=O)(=O)C[C@@H](OCC)C2CC2)C1 ZINC000625278028 365710734 /nfs/dbraw/zinc/71/07/34/365710734.db2.gz KKGHJMYYIJHXFG-DZGCQCFKSA-N 0 0 301.452 2.419 10 30 DEEERN C=CC(C)(C)CCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC000625327554 365730963 /nfs/dbraw/zinc/73/09/63/365730963.db2.gz GGRIUPKJHZTUPC-UHFFFAOYSA-N 0 0 322.430 2.086 10 30 DEEERN C[C@H]1C[C@H]1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092423303 185317042 /nfs/dbraw/zinc/31/70/42/185317042.db2.gz ZROAYCYKZRAVFI-VYESFELBSA-N 0 0 314.389 2.351 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cn(CC3CC3)c(CC)n2)C1 ZINC000625354222 365743480 /nfs/dbraw/zinc/74/34/80/365743480.db2.gz IRWWTYZIDVASJY-CYBMUJFWSA-N 0 0 323.462 2.442 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000613837206 362226826 /nfs/dbraw/zinc/22/68/26/362226826.db2.gz AJARUDMAZJHUTO-GJZGRUSLSA-N 0 0 320.364 2.236 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(c2ccncc2)CC1 ZINC000614006466 362261044 /nfs/dbraw/zinc/26/10/44/362261044.db2.gz WPCDFVNQURLQAV-KRWDZBQOSA-N 0 0 315.417 2.259 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc2c(n1)CCCC2 ZINC000614053193 362272539 /nfs/dbraw/zinc/27/25/39/362272539.db2.gz CAOUDQJGFQURMK-QGZVFWFLSA-N 0 0 315.417 2.048 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000614189664 362312065 /nfs/dbraw/zinc/31/20/65/362312065.db2.gz WAHYGNYSPSBLMF-ARFHVFGLSA-N 0 0 304.365 2.269 10 30 DEEERN C=CC[C@H](CC)NC(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC000614396176 362370219 /nfs/dbraw/zinc/37/02/19/362370219.db2.gz HTJVMDDWUPCCPG-SDDRHHMPSA-N 0 0 309.328 2.441 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](OC)C1CCC1 ZINC000614720676 362445793 /nfs/dbraw/zinc/44/57/93/362445793.db2.gz CVCDWSYHPVSPJD-INIZCTEOSA-N 0 0 307.390 2.492 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc2c(C)nn(C)c2c1 ZINC000615103403 362533525 /nfs/dbraw/zinc/53/35/25/362533525.db2.gz ILXJWXJEZZTQSD-HNNXBMFYSA-N 0 0 314.389 2.291 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CCc1ccccc1C ZINC000615474701 362616534 /nfs/dbraw/zinc/61/65/34/362616534.db2.gz MQUSKZPZIDZOHJ-KRWDZBQOSA-N 0 0 302.418 2.467 10 30 DEEERN N#C[C@@]1(F)CCN(C(=O)Nc2ccc(N3CCCC3)nc2)C1 ZINC000615527178 362627508 /nfs/dbraw/zinc/62/75/08/362627508.db2.gz KJOMLVGKWKUSCG-HNNXBMFYSA-N 0 0 303.341 2.151 10 30 DEEERN COc1ccccc1C[C@@H]1CCCN1S(=O)(=O)CCCC#N ZINC000111335047 185584107 /nfs/dbraw/zinc/58/41/07/185584107.db2.gz IRLLLWGZYYPZIU-HNNXBMFYSA-N 0 0 322.430 2.336 10 30 DEEERN COc1c(C)cc(CN(C)S(=O)(=O)CCCC#N)cc1C ZINC000111336702 185584660 /nfs/dbraw/zinc/58/46/60/185584660.db2.gz YTWYUOQWZGBBGQ-UHFFFAOYSA-N 0 0 310.419 2.377 10 30 DEEERN CC1(C#N)CCN(C(=O)[C@@H]2CCCN2Cc2ccccn2)CC1 ZINC000371648794 404468214 /nfs/dbraw/zinc/46/82/14/404468214.db2.gz BTPZJNKLZOIUIF-INIZCTEOSA-N 0 0 312.417 2.198 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@H](OC(C)C)C1 ZINC000625667844 365864955 /nfs/dbraw/zinc/86/49/55/365864955.db2.gz MWOZCKNARRZVBW-AWEZNQCLSA-N 0 0 310.438 2.121 10 30 DEEERN N#CCOc1ccccc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000119405008 185740095 /nfs/dbraw/zinc/74/00/95/185740095.db2.gz HNGXUYJLHNQUHP-KBXCAEBGSA-N 0 0 314.385 2.356 10 30 DEEERN C[C@H](NC(=O)[C@@H]1CCSC1)c1cccc(C#CCCO)c1 ZINC000070438004 190892549 /nfs/dbraw/zinc/89/25/49/190892549.db2.gz LDKBMCKDPFKZQL-XJKSGUPXSA-N 0 0 303.427 2.351 10 30 DEEERN C=CCN(CCC(=O)OC)C(=O)COc1c(C)cccc1C ZINC000071626708 190994995 /nfs/dbraw/zinc/99/49/95/190994995.db2.gz VALFAWLULONHGU-UHFFFAOYSA-N 0 0 305.374 2.260 10 30 DEEERN COc1cc2c(c(OC)c1)C(C#N)N(Cc1cccnc1)C2=O ZINC000071680697 191006926 /nfs/dbraw/zinc/00/69/26/191006926.db2.gz SMEYQPXJRAVAAP-CQSZACIVSA-N 0 0 309.325 2.319 10 30 DEEERN COC(CN1C(=O)c2c(cccc2C(F)(F)F)C1C#N)OC ZINC000071681176 191007771 /nfs/dbraw/zinc/00/77/71/191007771.db2.gz KUJAFJKCLNACKF-SNVBAGLBSA-N 0 0 314.263 2.345 10 30 DEEERN Cc1ccc(C(=O)N2CCS[C@@H](C)[C@H]2C)c(C#CCO)c1 ZINC000133635655 186001888 /nfs/dbraw/zinc/00/18/88/186001888.db2.gz LFTULQNXZPRPPF-KGLIPLIRSA-N 0 0 303.427 2.305 10 30 DEEERN CN[C@](C)(C#N)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000138347243 186016238 /nfs/dbraw/zinc/01/62/38/186016238.db2.gz QVNUDVXPPSJQFS-LLVKDONJSA-N 0 0 303.240 2.494 10 30 DEEERN CC[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ncc[nH]1 ZINC000139682103 186022867 /nfs/dbraw/zinc/02/28/67/186022867.db2.gz YSMKETCRXCKINM-GFCCVEGCSA-N 0 0 324.793 2.364 10 30 DEEERN CC(=O)C=Cc1c(=O)[nH]cnc1Oc1ccc(NC(C)=O)cc1 ZINC000072175305 191070913 /nfs/dbraw/zinc/07/09/13/191070913.db2.gz TXMMCYPOGAHHQH-FPYGCLRLSA-N 0 0 313.313 2.123 10 30 DEEERN Cn1cc(Cl)cc1C(=O)NCc1sccc1C#CCO ZINC000148553622 186044967 /nfs/dbraw/zinc/04/49/67/186044967.db2.gz SMJIKXCWMDVPBR-UHFFFAOYSA-N 0 0 308.790 2.014 10 30 DEEERN CCOc1ccc(N)c([S@@](=O)Cc2cccnc2C#N)c1 ZINC000149615299 186051450 /nfs/dbraw/zinc/05/14/50/186051450.db2.gz RLFIUASMCDYXJI-OAQYLSRUSA-N 0 0 301.371 2.242 10 30 DEEERN C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@H]1CCC(=O)[C@@]21COC(C)=O ZINC000004098137 290900170 /nfs/dbraw/zinc/90/01/70/290900170.db2.gz BDTUWJXMQGOJIJ-AUPGVYSRSA-N 0 0 306.358 2.043 10 30 biogenic,in-vitro DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](CC)CO ZINC000188010201 186243320 /nfs/dbraw/zinc/24/33/20/186243320.db2.gz RCNNHQVNGPBCSN-AWEZNQCLSA-N 0 0 318.417 2.364 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000186057930 186236391 /nfs/dbraw/zinc/23/63/91/186236391.db2.gz XOUOQQUKALWOIS-CQSZACIVSA-N 0 0 321.446 2.298 10 30 DEEERN C#CCOc1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000188039126 186248066 /nfs/dbraw/zinc/24/80/66/186248066.db2.gz VJQQCKAOBNBSAA-ZIAGYGMSSA-N 0 0 302.374 2.371 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CC1(CS(C)(=O)=O)CC1 ZINC000617039446 363006981 /nfs/dbraw/zinc/00/69/81/363006981.db2.gz HMYPLQJUJFSKDP-KBPBESRZSA-N 0 0 313.463 2.452 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)C(C)(C)C ZINC000617042125 363007909 /nfs/dbraw/zinc/00/79/09/363007909.db2.gz NRJXZVGSPNKRKE-CHWSQXEVSA-N 0 0 301.452 2.451 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccn2c(=O)[nH]nc12 ZINC000617041762 363008084 /nfs/dbraw/zinc/00/80/84/363008084.db2.gz IMSVJRYLYISBNR-YPMHNXCESA-N 0 0 300.362 2.300 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cn1nnc2c1CCCC2 ZINC000617043977 363008136 /nfs/dbraw/zinc/00/81/36/363008136.db2.gz HJSKSDLBHKWEQX-ZIAGYGMSSA-N 0 0 302.422 2.408 10 30 DEEERN C=CCSCCNC(=O)NCc1cnc(C(F)(F)F)nc1 ZINC000595489387 358463011 /nfs/dbraw/zinc/46/30/11/358463011.db2.gz ADFYEFKSXWUBRT-UHFFFAOYSA-N 0 0 320.340 2.214 10 30 DEEERN C[C@@H](C#N)CNC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000171844941 197994720 /nfs/dbraw/zinc/99/47/20/197994720.db2.gz ROTFPIXMDFFXLH-ZETCQYMHSA-N 0 0 307.151 2.215 10 30 DEEERN C=C(C)[C@H](CC(=O)N[C@H](CO)[C@@H]1CCC[C@@H](OC)C1)OCC ZINC000617535965 363171784 /nfs/dbraw/zinc/17/17/84/363171784.db2.gz ZJKPNQZFBOTBFV-FPCVCCKLSA-N 0 0 313.438 2.040 10 30 DEEERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CSC1(C)C ZINC000328730196 539910116 /nfs/dbraw/zinc/91/01/16/539910116.db2.gz FYLQIADYZQSXGX-GHMZBOCLSA-N 0 0 320.480 2.041 10 30 DEEERN O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)[C@@H]1CCCC(=O)N1 ZINC000328806637 539911113 /nfs/dbraw/zinc/91/11/13/539911113.db2.gz CMOXKKBMQCMUAO-AAEUAGOBSA-N 0 0 307.394 2.386 10 30 DEEERN Cc1nc([C@@H](C)NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cs1 ZINC000329281396 539916911 /nfs/dbraw/zinc/91/69/11/539916911.db2.gz DYVCKYUCXOTDON-HLUHBDAQSA-N 0 0 308.407 2.477 10 30 DEEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)NC1CCOCC1)C2 ZINC000329300984 539917720 /nfs/dbraw/zinc/91/77/20/539917720.db2.gz VOFBFADSCYMEGB-ZDUSSCGKSA-N 0 0 320.437 2.178 10 30 DEEERN O=C(C[C@@H]1C=CCC1)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000328950885 539912549 /nfs/dbraw/zinc/91/25/49/539912549.db2.gz XCAGZNSPRFFIIF-OAHLLOKOSA-N 0 0 319.449 2.244 10 30 DEEERN O=C(NC[C@@H]1Cc2ccccc2O1)N1CC2(C1)CCCOC2 ZINC000329228886 539915823 /nfs/dbraw/zinc/91/58/23/539915823.db2.gz CEQBEDWXYJBZIB-AWEZNQCLSA-N 0 0 302.374 2.017 10 30 DEEERN C[C@@]12CN(S(=O)(=O)c3ccc(C#N)nc3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333146271 539949196 /nfs/dbraw/zinc/94/91/96/539949196.db2.gz ZXHPXOSOKDAAHN-KOZAUXTDSA-N 0 0 317.414 2.010 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000173792644 198252244 /nfs/dbraw/zinc/25/22/44/198252244.db2.gz ZYNZRTRPQUZPES-RYUDHWBXSA-N 0 0 306.337 2.479 10 30 DEEERN C=CCNC(=O)CN1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000173883716 198263812 /nfs/dbraw/zinc/26/38/12/198263812.db2.gz NLNZEECGWOBIQH-WBVHZDCISA-N 0 0 302.418 2.367 10 30 DEEERN N#Cc1ccc(NC(=O)N[C@@H]2CCCn3ncnc32)cc1Cl ZINC000175874054 198519835 /nfs/dbraw/zinc/51/98/35/198519835.db2.gz UQKUFERQRWYBLT-GFCCVEGCSA-N 0 0 316.752 2.460 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2cccc(-n3cnnn3)c2C)C1 ZINC000626219102 366113973 /nfs/dbraw/zinc/11/39/73/366113973.db2.gz ORMAIYKMHHFDCT-ZDUSSCGKSA-N 0 0 312.377 2.401 10 30 DEEERN C=CC[C@H](C(=O)N1CCC[C@](CO)(OC)C1)c1ccccc1 ZINC000617801527 363269320 /nfs/dbraw/zinc/26/93/20/363269320.db2.gz QXIXTPCFMFDQAM-WMZOPIPTSA-N 0 0 303.402 2.346 10 30 DEEERN N#C[C@@H](c1cccnc1)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000013728959 354026996 /nfs/dbraw/zinc/02/69/96/354026996.db2.gz YOHVEVVCGFLWDR-SFHVURJKSA-N 0 0 320.396 2.033 10 30 DEEERN N#Cc1ccc(CCC(=O)NCCNC(=O)c2ccccc2)cc1 ZINC000031031765 354131224 /nfs/dbraw/zinc/13/12/24/354131224.db2.gz DTBOXEDCGQPGAB-UHFFFAOYSA-N 0 0 321.380 2.037 10 30 DEEERN C=C1C(=O)O[C@@H]2CC(C)=C(CCCOC(C)=O)[C@@H](C)[C@@H](O)[C@H]12 ZINC000004098128 181072532 /nfs/dbraw/zinc/07/25/32/181072532.db2.gz QKVABRCMWRXFAF-HMTTWLPMSA-N 0 0 308.374 2.145 10 30 in-vitro DEEERN C=C(C)COc1cccc(NC(=O)NC[C@H]2COCCN2C)c1 ZINC000626355818 366159091 /nfs/dbraw/zinc/15/90/91/366159091.db2.gz CEHPYSTWXUBZAT-HNNXBMFYSA-N 0 0 319.405 2.094 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595568584 358487757 /nfs/dbraw/zinc/48/77/57/358487757.db2.gz WYOCIUCRGZTHTN-OCCSQVGLSA-N 0 0 321.381 2.225 10 30 DEEERN C=CCOCCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000595573988 358490465 /nfs/dbraw/zinc/49/04/65/358490465.db2.gz MSOUFQTXZKMLOW-UHFFFAOYSA-N 0 0 307.350 2.029 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000069137476 354850166 /nfs/dbraw/zinc/85/01/66/354850166.db2.gz YIHABYHNMOMDPS-SECBINFHSA-N 0 0 320.336 2.443 10 30 DEEERN C=CCC1(NC(=O)[C@@H](OC)c2ccc(O)cc2)CCOCC1 ZINC000618249071 363430650 /nfs/dbraw/zinc/43/06/50/363430650.db2.gz FBJFAFMYFVQECT-HNNXBMFYSA-N 0 0 305.374 2.321 10 30 DEEERN N#Cc1ccccc1S(=O)(=O)N[C@H]1C[C@@H]1c1cccs1 ZINC000074777551 191359508 /nfs/dbraw/zinc/35/95/08/191359508.db2.gz ROIPBYCPZHVIAN-RYUDHWBXSA-N 0 0 304.396 2.454 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000078025606 355240788 /nfs/dbraw/zinc/24/07/88/355240788.db2.gz SRNIQMMIIRTCEM-AWEZNQCLSA-N 0 0 315.291 2.391 10 30 DEEERN CC[C@H]1Oc2ccc(N)nc2N(Cc2ccc(C#N)cc2)C1=O ZINC000075256608 191450669 /nfs/dbraw/zinc/45/06/69/191450669.db2.gz AJDUGYXOIQZKNP-CYBMUJFWSA-N 0 0 308.341 2.240 10 30 DEEERN CC[C@H]1Oc2ccc(N)nc2N(Cc2cccc(C#N)c2)C1=O ZINC000075256647 191451178 /nfs/dbraw/zinc/45/11/78/191451178.db2.gz CWBHWOQPSAJPHD-CYBMUJFWSA-N 0 0 308.341 2.240 10 30 DEEERN C=C(CC)CNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000454043696 540195865 /nfs/dbraw/zinc/19/58/65/540195865.db2.gz LJRRSXONRZWBBA-UHFFFAOYSA-N 0 0 307.297 2.183 10 30 DEEERN CN1CC[C@H](NC(=O)CSCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000133507224 283121496 /nfs/dbraw/zinc/12/14/96/283121496.db2.gz FLACHQGIWCYHCR-ZFWWWQNUSA-N 0 0 323.849 2.458 10 30 DEEERN Cc1ccc(S(=O)(=O)OCCO[C@@H]2CCCCO2)cc1 ZINC000117574428 355778136 /nfs/dbraw/zinc/77/81/36/355778136.db2.gz WHFUIVZZHQPGTF-CQSZACIVSA-N 0 0 300.376 2.244 10 30 DEEERN COc1cc(I)ccc1OC[C@H]1CO1 ZINC000137369585 355869666 /nfs/dbraw/zinc/86/96/66/355869666.db2.gz AUPFMALIARGEKM-MRVPVSSYSA-N 0 0 306.099 2.077 10 30 DEEERN COC(=O)[C@@H](C)CN(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180396962 356050602 /nfs/dbraw/zinc/05/06/02/356050602.db2.gz GFXUIKBIXWUJTJ-LBPRGKRZSA-N 0 0 300.358 2.123 10 30 DEEERN C[C@H](C#N)CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000182742445 356143485 /nfs/dbraw/zinc/14/34/85/356143485.db2.gz YZVROUDAEFRCJW-VCTAVGKDSA-N 0 0 322.359 2.169 10 30 DEEERN COc1ccc(N2N=C(C#N)NN2c2ccc(OC)cc2)cc1 ZINC000221270942 356274532 /nfs/dbraw/zinc/27/45/32/356274532.db2.gz KLMSXFJWMDPZGC-UHFFFAOYSA-N 0 0 309.329 2.287 10 30 DEEERN N#Cc1cccc(CNC(=O)NCc2ccc(CO)c(F)c2)c1 ZINC000194922452 356246502 /nfs/dbraw/zinc/24/65/02/356246502.db2.gz KEDUFLHKQLKYTL-UHFFFAOYSA-N 0 0 313.332 2.189 10 30 DEEERN N#Cc1cnc(OC(F)(F)F)cc1I ZINC000238531458 356304547 /nfs/dbraw/zinc/30/45/47/356304547.db2.gz CNNMFYQDMITBDH-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(C#N)cn1C ZINC000081014963 192214017 /nfs/dbraw/zinc/21/40/17/192214017.db2.gz BFUAWKUDNBBECV-UHFFFAOYSA-N 0 0 310.357 2.159 10 30 DEEERN O=C(CS)Nc1cccc(F)c1I ZINC000300903445 356390226 /nfs/dbraw/zinc/39/02/26/356390226.db2.gz MPDNEBRSPNFMBP-UHFFFAOYSA-N 0 0 311.119 2.299 10 30 DEEERN Cc1ccc(NC(=O)CS)cc1I ZINC000300999573 356391326 /nfs/dbraw/zinc/39/13/26/356391326.db2.gz XIRIFIKKMCCDGB-UHFFFAOYSA-N 0 0 307.156 2.468 10 30 DEEERN C#CCONc1ccc([N+](=O)[O-])c(I)c1 ZINC000306794244 356405388 /nfs/dbraw/zinc/40/53/88/356405388.db2.gz FVBGIQBUYDTDMI-UHFFFAOYSA-N 0 0 318.070 2.176 10 30 DEEERN COC(=O)c1cc(F)cc(I)c1C#N ZINC000306968683 356405831 /nfs/dbraw/zinc/40/58/31/356405831.db2.gz IACWJOYCPDSATB-UHFFFAOYSA-N 0 0 305.046 2.089 10 30 DEEERN Cc1nc2c(s1)CCC[C@@H]2CNC(=O)c1nccnc1N ZINC000328643324 356466085 /nfs/dbraw/zinc/46/60/85/356466085.db2.gz YTHMQCMTPCIMTH-SECBINFHSA-N 0 0 303.391 2.248 10 30 DEEERN C=CCCCN(C)C(=O)Nc1ccc(-c2nnnn2C)cc1 ZINC000626758448 366305909 /nfs/dbraw/zinc/30/59/09/366305909.db2.gz AZWJOYMHEQTYLS-UHFFFAOYSA-N 0 0 300.366 2.307 10 30 DEEERN C=CCNC(=O)Cc1noc(-c2ccc(C)c(OCC)c2)n1 ZINC000350696725 356559676 /nfs/dbraw/zinc/55/96/76/356559676.db2.gz WITLHTKKIAVAHQ-UHFFFAOYSA-N 0 0 301.346 2.288 10 30 DEEERN C=CCNC(=O)Cc1noc([C@@H]2Cc3cc(Cl)ccc3O2)n1 ZINC000350707888 356561312 /nfs/dbraw/zinc/56/13/12/356561312.db2.gz AMMVFJVMENREQK-LBPRGKRZSA-N 0 0 319.748 2.244 10 30 DEEERN C=C[C@H](O)C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000618540819 363520752 /nfs/dbraw/zinc/52/07/52/363520752.db2.gz ZQBFJSPRUVVJCB-ZDUSSCGKSA-N 0 0 324.218 2.435 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(Nc2ccn(C)n2)cc1 ZINC000618514487 363512853 /nfs/dbraw/zinc/51/28/53/363512853.db2.gz KOXSAILZFZDVDL-UHFFFAOYSA-N 0 0 314.389 2.486 10 30 DEEERN C=CCOCCCNC(=O)CCCn1c(=O)oc2ccccc21 ZINC000618518071 363513845 /nfs/dbraw/zinc/51/38/45/363513845.db2.gz ZDNUJVXCHIVBLW-UHFFFAOYSA-N 0 0 318.373 2.084 10 30 DEEERN C=CCOCCCNC(=O)c1nc(CC)n(-c2ccccc2)n1 ZINC000618523894 363515623 /nfs/dbraw/zinc/51/56/23/363515623.db2.gz UTSCAOGOLXCFKR-UHFFFAOYSA-N 0 0 314.389 2.152 10 30 DEEERN C=CCOCCCNC(=O)c1cccnc1OCC(F)F ZINC000618525558 363515734 /nfs/dbraw/zinc/51/57/34/363515734.db2.gz FBTYZMGEWYRXHP-UHFFFAOYSA-N 0 0 300.305 2.048 10 30 DEEERN CC(C)(C)OC(=O)NCC(C)(C)NCc1nc(C#N)cs1 ZINC000386113328 356694513 /nfs/dbraw/zinc/69/45/13/356694513.db2.gz KUBJTPFYLUNVCS-UHFFFAOYSA-N 0 0 310.423 2.408 10 30 DEEERN N#CCCOCC[S@@](=O)c1cccc(Br)c1 ZINC000385192597 356686713 /nfs/dbraw/zinc/68/67/13/356686713.db2.gz FQTREEXAGXVEFH-MRXNPFEDSA-N 0 0 302.193 2.487 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(OC)nc1C ZINC000518792666 356742572 /nfs/dbraw/zinc/74/25/72/356742572.db2.gz PBNNHGGKZVPVAY-UHFFFAOYSA-N 0 0 305.378 2.200 10 30 DEEERN C=CCCn1cc(C(=O)N2CCO[C@@H](C3CCCCC3)C2)nn1 ZINC000578128279 356764879 /nfs/dbraw/zinc/76/48/79/356764879.db2.gz XSQWYDYLRVULOL-MRXNPFEDSA-N 0 0 318.421 2.276 10 30 DEEERN C=CCC[C@@H](NC(=O)c1cccc2oc(=O)[nH]c21)C(=O)OCC ZINC000578337271 356801705 /nfs/dbraw/zinc/80/17/05/356801705.db2.gz BFRRCXLPCDJNRG-LLVKDONJSA-N 0 0 318.329 2.161 10 30 DEEERN N#Cc1c[nH]c(C(=O)NC2(c3noc(C4CC4)n3)CCCC2)c1 ZINC000177939286 198792604 /nfs/dbraw/zinc/79/26/04/198792604.db2.gz KHKJKPGLUNKKNG-UHFFFAOYSA-N 0 0 311.345 2.346 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H](C)Oc1ccc(OC)cc1 ZINC000578416748 356812225 /nfs/dbraw/zinc/81/22/25/356812225.db2.gz AGYMKXCKWOXDQO-WQVCFCJDSA-N 0 0 305.374 2.312 10 30 DEEERN C=C(C)Cn1c(N2CCC(OC)CC2)nnc1[C@@]1(C)CCCO1 ZINC000578717047 356859135 /nfs/dbraw/zinc/85/91/35/356859135.db2.gz LPXMZIXDHOMZED-QGZVFWFLSA-N 0 0 320.437 2.495 10 30 DEEERN C=CCCCCCNC(=O)c1cn(CCOC)c(C)cc1=O ZINC000579023983 356909862 /nfs/dbraw/zinc/90/98/62/356909862.db2.gz FXQJGBDEADOGIC-UHFFFAOYSA-N 0 0 306.406 2.279 10 30 DEEERN C=C(C)CS(=O)(=O)N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000579832354 357038955 /nfs/dbraw/zinc/03/89/55/357038955.db2.gz YGRDDUQNVIVOFP-QWHCGFSZSA-N 0 0 317.451 2.192 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000579613778 357005435 /nfs/dbraw/zinc/00/54/35/357005435.db2.gz CKOSUAPYEYBPFM-UHFFFAOYSA-N 0 0 324.446 2.413 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588039382 357390716 /nfs/dbraw/zinc/39/07/16/357390716.db2.gz UYUQSWCFQYHEHF-BONVTDFDSA-N 0 0 307.350 2.062 10 30 DEEERN C[C@H]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@H]1O ZINC000408455827 290566922 /nfs/dbraw/zinc/56/69/22/290566922.db2.gz FPBDLTZDCJPMJW-JOYOIKCWSA-N 0 0 323.190 2.164 10 30 DEEERN C=C(C)Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(C)CCCO1 ZINC000590780706 357610906 /nfs/dbraw/zinc/61/09/06/357610906.db2.gz UJVRWRVHQYDMII-CVEARBPZSA-N 0 0 319.384 2.322 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2ccccc2n1CC#N ZINC000591785546 357761116 /nfs/dbraw/zinc/76/11/16/357761116.db2.gz KWQGIZSCURPAHB-YOEHRIQHSA-N 0 0 309.369 2.486 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(C)(C)C(=O)OC(C)(C)C ZINC000592629086 357915762 /nfs/dbraw/zinc/91/57/62/357915762.db2.gz WPUGVTYFQUTADL-OLZOCXBDSA-N 0 0 311.422 2.452 10 30 DEEERN C=CCc1cc(C(=O)N2CC[C@@]3(O)C[C@H]3C2)cc(OC)c1OC ZINC000618747383 363592422 /nfs/dbraw/zinc/59/24/22/363592422.db2.gz DCXKWTVHNIIONK-KBXCAEBGSA-N 0 0 317.385 2.029 10 30 DEEERN C=CCN(CCOC)C(=O)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000593138261 358019944 /nfs/dbraw/zinc/01/99/44/358019944.db2.gz KYTOAJYFCRRNRV-KGLIPLIRSA-N 0 0 311.422 2.405 10 30 DEEERN C=CCCCS(=O)(=O)N(C)[C@@H](CC)C(=O)OC(C)(C)C ZINC000593673614 358121768 /nfs/dbraw/zinc/12/17/68/358121768.db2.gz ZTTFBLRGQYJTKZ-LBPRGKRZSA-N 0 0 305.440 2.335 10 30 DEEERN C=CCCn1cc(C[S@](=O)Cc2csc(CC)n2)nn1 ZINC000593937297 358174903 /nfs/dbraw/zinc/17/49/03/358174903.db2.gz SZWKRNOUBBCQMY-FQEVSTJZSA-N 0 0 310.448 2.322 10 30 DEEERN C=CCCC1(CNS(=O)(=O)CCCC(=O)OC)CCCC1 ZINC000594798313 358339076 /nfs/dbraw/zinc/33/90/76/358339076.db2.gz AFXSBPWHWYWFJE-UHFFFAOYSA-N 0 0 317.451 2.386 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)Nc1ccc(COC)c(OC)c1 ZINC000627026574 366411692 /nfs/dbraw/zinc/41/16/92/366411692.db2.gz RSQCORLNOYGYGQ-AWEZNQCLSA-N 0 0 308.378 2.290 10 30 DEEERN Cc1cc(S(=O)(=O)NC[C@@]2(C)CC2(F)F)ccc1C#N ZINC000594856505 358349525 /nfs/dbraw/zinc/34/95/25/358349525.db2.gz GPUBPNCUHRWIQX-GFCCVEGCSA-N 0 0 300.330 2.190 10 30 DEEERN C=CCNC(=O)CNC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000181215013 199266544 /nfs/dbraw/zinc/26/65/44/199266544.db2.gz XGFSDNVCHSHCQR-WBMJQRKESA-N 0 0 319.380 2.220 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC000185364679 199843488 /nfs/dbraw/zinc/84/34/88/199843488.db2.gz SISMNHLKDIBHDV-ZDUSSCGKSA-N 0 0 309.431 2.450 10 30 DEEERN CC#CCN(C)C(=O)NC[C@@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000596979424 358798489 /nfs/dbraw/zinc/79/84/89/358798489.db2.gz DYQGRKFCFGOISO-CQSZACIVSA-N 0 0 308.422 2.409 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000597609550 358961784 /nfs/dbraw/zinc/96/17/84/358961784.db2.gz KHDGULKOQOQJTC-ILXRZTDVSA-N 0 0 323.433 2.452 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000597586230 358955766 /nfs/dbraw/zinc/95/57/66/358955766.db2.gz ZNKWGRWZBMMMIG-DLBZAZTESA-N 0 0 311.385 2.133 10 30 DEEERN C=C[C@H](O)C(=O)N1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000597907363 359037299 /nfs/dbraw/zinc/03/72/99/359037299.db2.gz OHFOFDGBQBXNDI-CABCVRRESA-N 0 0 317.385 2.001 10 30 DEEERN C=C[C@H](O)C(=O)N1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000597907364 359037320 /nfs/dbraw/zinc/03/73/20/359037320.db2.gz OHFOFDGBQBXNDI-GJZGRUSLSA-N 0 0 317.385 2.001 10 30 DEEERN C=CCCC1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCCC1 ZINC000597927074 359044007 /nfs/dbraw/zinc/04/40/07/359044007.db2.gz UDOWIVJXENWTFP-UHFFFAOYSA-N 0 0 306.366 2.434 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000597794249 359008392 /nfs/dbraw/zinc/00/83/92/359008392.db2.gz LOLSRQNFGDZBHN-IHRRRGAJSA-N 0 0 309.406 2.062 10 30 DEEERN C=CCCOCC(=O)N1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@@H]21 ZINC000598168323 359112937 /nfs/dbraw/zinc/11/29/37/359112937.db2.gz OERVQXOTEDPTLX-KKUMJFAQSA-N 0 0 309.406 2.159 10 30 DEEERN C=CCOCCCNC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C ZINC000598206971 359122732 /nfs/dbraw/zinc/12/27/32/359122732.db2.gz CDODXDPZYRJJJR-QGZVFWFLSA-N 0 0 311.422 2.453 10 30 DEEERN C[C@@]1(C#N)CCN(C(=O)c2nscc2Br)C1 ZINC000598420087 359193442 /nfs/dbraw/zinc/19/34/42/359193442.db2.gz OLDVLSUVASKKBD-JTQLQIEISA-N 0 0 300.181 2.281 10 30 DEEERN C=CCOc1ccc(CC(=O)N(C)[C@H]2C[C@@H](C(=O)OC)C2)cc1 ZINC000598423918 359194120 /nfs/dbraw/zinc/19/41/20/359194120.db2.gz LBMJNGYXSMIKSO-GASCZTMLSA-N 0 0 317.385 2.204 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000185911057 199902846 /nfs/dbraw/zinc/90/28/46/199902846.db2.gz ONVREKPPEAQCDG-QWRGUYRKSA-N 0 0 306.328 2.258 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598809305 359332083 /nfs/dbraw/zinc/33/20/83/359332083.db2.gz VLUJCVZUFROIBS-CYBMUJFWSA-N 0 0 309.297 2.143 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@H](C)CCSCC ZINC000598814722 359332873 /nfs/dbraw/zinc/33/28/73/359332873.db2.gz GXKOKBDWEXNLRU-OCCSQVGLSA-N 0 0 300.468 2.447 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCCc2nc(C(=O)OC)ccc21 ZINC000598877334 359349191 /nfs/dbraw/zinc/34/91/91/359349191.db2.gz JZFQBVHSLOIWEK-LBPRGKRZSA-N 0 0 318.373 2.129 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@@H](CC)CSC ZINC000599476089 359506772 /nfs/dbraw/zinc/50/67/72/359506772.db2.gz YXJWGLXXULPHAX-LBPRGKRZSA-N 0 0 300.468 2.305 10 30 DEEERN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CC1(CO)CC1 ZINC000186786116 200010009 /nfs/dbraw/zinc/01/00/09/200010009.db2.gz SFOOVOZUMAPVFJ-NSHDSACASA-N 0 0 321.808 2.243 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000600212399 359691035 /nfs/dbraw/zinc/69/10/35/359691035.db2.gz CRHHJOZFTLXNFE-ZDUSSCGKSA-N 0 0 303.362 2.456 10 30 DEEERN C=CC[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000600212707 359691155 /nfs/dbraw/zinc/69/11/55/359691155.db2.gz HABJJFWOVFAHNJ-LBPRGKRZSA-N 0 0 320.345 2.407 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccn2cc(C)nc2c1 ZINC000627685834 366591314 /nfs/dbraw/zinc/59/13/14/366591314.db2.gz ITVATXYWMSEGBG-UHFFFAOYSA-N 0 0 314.389 2.300 10 30 DEEERN C=CCN(CC=C)C(=O)c1cc(C(=O)OC(C)(C)C)nn1C ZINC000600889692 359851786 /nfs/dbraw/zinc/85/17/86/359851786.db2.gz YLYBXJODZSZTTG-UHFFFAOYSA-N 0 0 305.378 2.190 10 30 DEEERN C=CCCn1cc(CS[C@H]2CCN(C3CCC3)C2=O)nn1 ZINC000601057394 359907223 /nfs/dbraw/zinc/90/72/23/359907223.db2.gz UINPLYWEXDKJEP-AWEZNQCLSA-N 0 0 306.435 2.241 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC3=O)C1 ZINC000627733626 366603795 /nfs/dbraw/zinc/60/37/95/366603795.db2.gz ZCIWHICMJJEEIS-GFCCVEGCSA-N 0 0 312.369 2.179 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(SC)nc2)C1 ZINC000627735523 366604574 /nfs/dbraw/zinc/60/45/74/366604574.db2.gz VJIOUCCHSDLSKR-NSHDSACASA-N 0 0 305.403 2.167 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000627734419 366604997 /nfs/dbraw/zinc/60/49/97/366604997.db2.gz SJKSTHUIWHXZSH-CYBMUJFWSA-N 0 0 324.384 2.440 10 30 DEEERN C=C(C)C[C@@H](Nc1ncnc2c1ncn2C1CC1)C(=O)OC ZINC000601225873 359972623 /nfs/dbraw/zinc/97/26/23/359972623.db2.gz AUWZKMLIIPDGSH-LLVKDONJSA-N 0 0 301.350 2.081 10 30 DEEERN C=C(C)C[C@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)OC ZINC000601502625 360056726 /nfs/dbraw/zinc/05/67/26/360056726.db2.gz RJNKKTQCKXMZGT-ZDUSSCGKSA-N 0 0 311.403 2.090 10 30 DEEERN C=CCC[C@@H](NC(=O)c1cccc2c1C(=O)CC2)C(=O)OCC ZINC000601619650 360090010 /nfs/dbraw/zinc/09/00/10/360090010.db2.gz FRLPDTHRSSHJHQ-CQSZACIVSA-N 0 0 315.369 2.443 10 30 DEEERN C=C(C)C[C@@H](NC(=O)COc1ccccc1OCC)C(=O)OC ZINC000601772878 360141462 /nfs/dbraw/zinc/14/14/62/360141462.db2.gz RYPNLNYLXSMNKN-CYBMUJFWSA-N 0 0 321.373 2.088 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](C)Oc1cccc(F)c1)C(=O)OC ZINC000601776896 360143890 /nfs/dbraw/zinc/14/38/90/360143890.db2.gz CVLFXALGGAFMSU-RISCZKNCSA-N 0 0 309.337 2.217 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(OC(C)C)nc1)C(=O)OC ZINC000601779880 360144662 /nfs/dbraw/zinc/14/46/62/360144662.db2.gz VYOCAIQGCOKIRG-ZDUSSCGKSA-N 0 0 306.362 2.106 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)C(=O)OC ZINC000601780342 360144816 /nfs/dbraw/zinc/14/48/16/360144816.db2.gz XEILHSGRKBBVDI-DOMZBBRYSA-N 0 0 321.373 2.087 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCSc1ccccn1)C(=O)OC ZINC000601781101 360145535 /nfs/dbraw/zinc/14/55/35/360145535.db2.gz GYECFHMYFLKQAP-LBPRGKRZSA-N 0 0 308.403 2.188 10 30 DEEERN C=C(C)C[C@H](NC(=O)COc1cc(C)ccc1F)C(=O)OC ZINC000601781226 360145960 /nfs/dbraw/zinc/14/59/60/360145960.db2.gz HMSGIFOVNDATME-ZDUSSCGKSA-N 0 0 309.337 2.137 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000601782827 360146696 /nfs/dbraw/zinc/14/66/96/360146696.db2.gz RCPDIKCWDAWTKP-BXUZGUMPSA-N 0 0 320.345 2.322 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H]1CCc2cc(C)ccc2O1)C(=O)OC ZINC000601784049 360147458 /nfs/dbraw/zinc/14/74/58/360147458.db2.gz ZKKLRAACGBWVTR-GDBMZVCRSA-N 0 0 317.385 2.313 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1CCN(C)c2ccccc21)C(=O)OC ZINC000601783322 360147578 /nfs/dbraw/zinc/14/75/78/360147578.db2.gz VSAZWZQZSSYIFW-CABCVRRESA-N 0 0 316.401 2.234 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cccc(NC(=O)CC)c1)C(=O)OC ZINC000601784847 360147658 /nfs/dbraw/zinc/14/76/58/360147658.db2.gz HWDNQOABKDAWCW-CQSZACIVSA-N 0 0 318.373 2.273 10 30 DEEERN C=C(C)C[C@H](NC(=O)C(=O)c1ccc(Cl)cc1)C(=O)OC ZINC000601785140 360148823 /nfs/dbraw/zinc/14/88/23/360148823.db2.gz JSEYKZJTYFQLOY-LBPRGKRZSA-N 0 0 309.749 2.147 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1CCCc2c(O)cccc21)C(=O)OC ZINC000601786760 360149539 /nfs/dbraw/zinc/14/95/39/360149539.db2.gz IVDGOULHUZPVDN-CABCVRRESA-N 0 0 317.385 2.436 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cnn([C@@H](C)CC)c1C)C(=O)OC ZINC000601786695 360149593 /nfs/dbraw/zinc/14/95/93/360149593.db2.gz HUFUZCXHVFBSED-SMDDNHRTSA-N 0 0 307.394 2.400 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cccc([C@@H]2CCOC2)c1)C(=O)OC ZINC000601788183 360150525 /nfs/dbraw/zinc/15/05/25/360150525.db2.gz SHTSYTVSWOUQNU-CVEARBPZSA-N 0 0 317.385 2.428 10 30 DEEERN C=CCCSCCNC(=O)CCc1nnc(C(F)F)o1 ZINC000601665394 360106118 /nfs/dbraw/zinc/10/61/18/360106118.db2.gz WOXYXHBGOWZEDE-UHFFFAOYSA-N 0 0 305.350 2.365 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(COC(C)(C)C)on1)C(=O)OC ZINC000601788709 360151458 /nfs/dbraw/zinc/15/14/58/360151458.db2.gz XCSSJATVNPAXFK-CYBMUJFWSA-N 0 0 324.377 2.227 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1c2cccc(C)c2C[C@H]1C(=O)OC ZINC000602420992 360365207 /nfs/dbraw/zinc/36/52/07/360365207.db2.gz XNQZKHFLBNDBKV-BBRMVZONSA-N 0 0 317.385 2.407 10 30 DEEERN N#Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c[nH]1 ZINC000271993629 209366708 /nfs/dbraw/zinc/36/67/08/209366708.db2.gz MIXFEVQXTJNMMR-WFASDCNBSA-N 0 0 317.295 2.113 10 30 DEEERN CC#CCN(C)c1ccc(Br)c(C(=O)OCC)n1 ZINC000603382587 360811885 /nfs/dbraw/zinc/81/18/85/360811885.db2.gz ATVSELAOJISZIB-UHFFFAOYSA-N 0 0 311.179 2.480 10 30 DEEERN C=C[C@H](C)NC(=O)c1ncc(I)s1 ZINC000603437914 360832017 /nfs/dbraw/zinc/83/20/17/360832017.db2.gz UXSNSKALFBFILF-YFKPBYRVSA-N 0 0 308.144 2.052 10 30 DEEERN Cn1c2ccc(C(=O)NCc3ccc(C#N)cc3F)cc2[nH]c1=O ZINC000609231647 361290192 /nfs/dbraw/zinc/29/01/92/361290192.db2.gz HMAAMBZDUMYVGZ-UHFFFAOYSA-N 0 0 324.315 2.220 10 30 DEEERN CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccnc(C#N)c1 ZINC000193192644 201005665 /nfs/dbraw/zinc/00/56/65/201005665.db2.gz BCRUJGNIDUXKKP-OAHLLOKOSA-N 0 0 323.352 2.255 10 30 DEEERN C=CCOCCCNC(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000628087859 366716192 /nfs/dbraw/zinc/71/61/92/366716192.db2.gz KVPAYJDXPAXPIA-UHFFFAOYSA-N 0 0 302.296 2.352 10 30 DEEERN CC(C)[C@@H](C#N)N1CCN(CCOc2ccc(F)cc2)CC1 ZINC000609484394 361314456 /nfs/dbraw/zinc/31/44/56/361314456.db2.gz BIFBTWVYJXEAJF-QGZVFWFLSA-N 0 0 305.397 2.370 10 30 DEEERN CC(C)n1ccc(CNC(=O)NCc2ccc(C#N)cc2F)n1 ZINC000610025361 361354197 /nfs/dbraw/zinc/35/41/97/361354197.db2.gz MYDNDBDXUVJPQG-UHFFFAOYSA-N 0 0 315.352 2.474 10 30 DEEERN COCCN(CCC#N)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000610387522 361391969 /nfs/dbraw/zinc/39/19/69/361391969.db2.gz ZJMQOMZLDBIJSZ-TZMCWYRMSA-N 0 0 308.328 2.457 10 30 DEEERN C=CC(C)(C)CCNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000628317319 366808107 /nfs/dbraw/zinc/80/81/07/366808107.db2.gz FDSONMNPNQQQKO-JTQLQIEISA-N 0 0 306.328 2.116 10 30 DEEERN C=CC(C)(C)CCNC(=O)Cn1cc(Br)cn1 ZINC000628317583 366808161 /nfs/dbraw/zinc/80/81/61/366808161.db2.gz PWYGTVBYGLLVEW-UHFFFAOYSA-N 0 0 300.200 2.364 10 30 DEEERN COC(=O)[C@@H](NC(=O)c1sccc1C#N)c1ccccc1F ZINC000610696181 361447438 /nfs/dbraw/zinc/44/74/38/361447438.db2.gz HVZMCXUJJSGRMN-LBPRGKRZSA-N 0 0 318.329 2.403 10 30 DEEERN CCN(C[C@H]1CCOC1)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000611555549 361629283 /nfs/dbraw/zinc/62/92/83/361629283.db2.gz IUPPYIZRWNCNDD-DYVFJYSZSA-N 0 0 324.421 2.133 10 30 DEEERN COC(=O)C(C)(C)[C@H](NC(=O)NC[C@@H](C)C#N)c1ccccc1 ZINC000611627232 361648340 /nfs/dbraw/zinc/64/83/40/361648340.db2.gz IIVYZSJUCQVICG-GXTWGEPZSA-N 0 0 317.389 2.386 10 30 DEEERN COC[C@](C)(NCCOc1cccc(C#N)c1)C(F)(F)F ZINC000611718145 361667002 /nfs/dbraw/zinc/66/70/02/361667002.db2.gz RERVWXIPROVJIP-ZDUSSCGKSA-N 0 0 302.296 2.494 10 30 DEEERN N#Cc1cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)ccn1 ZINC000195025613 201327874 /nfs/dbraw/zinc/32/78/74/201327874.db2.gz BCSLXLNAIYNPPF-OAHLLOKOSA-N 0 0 310.357 2.113 10 30 DEEERN CSCc1cccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)c1 ZINC000619591805 363835335 /nfs/dbraw/zinc/83/53/35/363835335.db2.gz NPMKLMJSGZFXND-SNVBAGLBSA-N 0 0 301.375 2.212 10 30 DEEERN C[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)c1ccncc1 ZINC000619548755 363822668 /nfs/dbraw/zinc/82/26/68/363822668.db2.gz QKIMZIBKNDVQCQ-JTQLQIEISA-N 0 0 307.400 2.097 10 30 DEEERN C=C[C@H](NCc1ccc(OC)c(OC(F)F)c1)C(=O)OC ZINC000619700413 363858456 /nfs/dbraw/zinc/85/84/56/363858456.db2.gz WIXYVHGKDHEZQZ-JTQLQIEISA-N 0 0 301.289 2.114 10 30 DEEERN C[C@H](C(=O)N1CCC(C2CCCC2)CC1)n1cnc(C#N)n1 ZINC000619595122 363836614 /nfs/dbraw/zinc/83/66/14/363836614.db2.gz LHBUCZBAMZPNMH-GFCCVEGCSA-N 0 0 301.394 2.140 10 30 DEEERN C[C@@H](CC#N)N(C)S(=O)(=O)NC1(C)CCC(F)(F)CC1 ZINC000619751188 363871408 /nfs/dbraw/zinc/87/14/08/363871408.db2.gz HDXRTIHHFHFYGR-JTQLQIEISA-N 0 0 309.382 2.023 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Sc1nnnn1C1CC1 ZINC000620312752 364014142 /nfs/dbraw/zinc/01/41/42/364014142.db2.gz KNPLEFMLQVRNPX-RTXFEEFZSA-N 0 0 319.434 2.198 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CC[C@H]3COC[C@H]3C2)cc1 ZINC000620130610 363964583 /nfs/dbraw/zinc/96/45/83/363964583.db2.gz LFIKZFAVCGKMPN-JKSUJKDBSA-N 0 0 301.386 2.289 10 30 DEEERN C=CCCOCC(=O)N1CCc2cc(OC)c(OC)cc2CC1 ZINC000620209092 363989639 /nfs/dbraw/zinc/98/96/39/363989639.db2.gz YDRMTBDPLUZGOQ-UHFFFAOYSA-N 0 0 319.401 2.224 10 30 DEEERN C=C[C@@](C)(O)C(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000621374652 364381266 /nfs/dbraw/zinc/38/12/66/364381266.db2.gz LPBDDAYUUZEYJB-OAHLLOKOSA-N 0 0 309.435 2.251 10 30 DEEERN Cc1nn(C)cc1CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000448923097 239791165 /nfs/dbraw/zinc/79/11/65/239791165.db2.gz DVBJNJCRQLVSFJ-AWEZNQCLSA-N 0 0 302.765 2.306 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1 ZINC000628482151 366862264 /nfs/dbraw/zinc/86/22/64/366862264.db2.gz GATXWNHYHYAEDL-NVXWUHKLSA-N 0 0 312.413 2.460 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000628481965 366862700 /nfs/dbraw/zinc/86/27/00/366862700.db2.gz AFAVIXRWQVJLAW-CYBMUJFWSA-N 0 0 312.369 2.097 10 30 DEEERN C=CC[C@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)C1 ZINC000628482152 366862972 /nfs/dbraw/zinc/86/29/72/366862972.db2.gz GATXWNHYHYAEDL-RDJZCZTQSA-N 0 0 312.413 2.460 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CCC(=O)Nc2nnc(C3CC3)o2)C1 ZINC000628486280 366863633 /nfs/dbraw/zinc/86/36/33/366863633.db2.gz FTXHSFXTHYKJTJ-NSHDSACASA-N 0 0 318.377 2.090 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2cnn3c2[nH]c(=O)c2ccccc23)C1 ZINC000628486391 366863757 /nfs/dbraw/zinc/86/37/57/366863757.db2.gz HMZWTWZUGSVOST-GFCCVEGCSA-N 0 0 322.368 2.214 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CNC(=O)c2ccc(F)c(F)c2)C1 ZINC000628491166 366865410 /nfs/dbraw/zinc/86/54/10/366865410.db2.gz QPDUZACYRZFPIX-LLVKDONJSA-N 0 0 308.328 2.119 10 30 DEEERN C#CCOc1ccccc1CNC(=O)CCCCC(=O)OC ZINC000275446949 212338505 /nfs/dbraw/zinc/33/85/05/212338505.db2.gz DVGUQJPMVXCVPM-UHFFFAOYSA-N 0 0 303.358 2.048 10 30 DEEERN C=C(C)CNC(=O)NC[C@@H]1CCN1Cc1ccc(OC)cc1 ZINC000623908878 365215698 /nfs/dbraw/zinc/21/56/98/365215698.db2.gz VIZRTIXMNPFYPU-HNNXBMFYSA-N 0 0 303.406 2.145 10 30 DEEERN Cc1cc(CNC(=O)c2ccncc2C#CCO)sc1C ZINC000091460422 193059765 /nfs/dbraw/zinc/05/97/65/193059765.db2.gz KLKPHKNSECQFOR-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN CSC1(C#N)CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000091471784 193061675 /nfs/dbraw/zinc/06/16/75/193061675.db2.gz LWKBSLJJNSTUKK-UHFFFAOYSA-N 0 0 310.444 2.405 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCO[C@H](c3ccnn3C)C2)C1 ZINC000624167973 365315044 /nfs/dbraw/zinc/31/50/44/365315044.db2.gz SUIUQQUOWBQPID-YCPHGPKFSA-N 0 0 318.421 2.248 10 30 DEEERN N#C[C@]1([C@@H](O)c2cc(Cl)c3c(c2)OCCCO3)CCOC1 ZINC000091880960 193121998 /nfs/dbraw/zinc/12/19/98/193121998.db2.gz IMAMWPHZWDCUBB-LSDHHAIUSA-N 0 0 309.749 2.465 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCCC[C@H](S(C)(=O)=O)C1 ZINC000624463351 365429957 /nfs/dbraw/zinc/42/99/57/365429957.db2.gz FHRCJJPAWXISIK-ZDUSSCGKSA-N 0 0 316.467 2.197 10 30 DEEERN C=CC(C)(C)CCNC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000624465509 365431515 /nfs/dbraw/zinc/43/15/15/365431515.db2.gz SUUGPEJHCKVELD-CHWSQXEVSA-N 0 0 316.467 2.244 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(COC)c(OC)c1 ZINC000629498504 367224526 /nfs/dbraw/zinc/22/45/26/367224526.db2.gz MEABOMKWEJERFP-HNNXBMFYSA-N 0 0 320.389 2.251 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000629654129 367287892 /nfs/dbraw/zinc/28/78/92/367287892.db2.gz BKGRNDUUSRTRLP-WBVHZDCISA-N 0 0 316.401 2.179 10 30 DEEERN C=CCNC(=O)c1ccc(NCC2(CF)CCOCC2)nc1 ZINC000450732708 242154424 /nfs/dbraw/zinc/15/44/24/242154424.db2.gz JWHZRHUOTAVXLT-UHFFFAOYSA-N 0 0 307.369 2.176 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cccc(N3CCCC3=O)c2)C1=O ZINC000630505169 367694999 /nfs/dbraw/zinc/69/49/99/367694999.db2.gz HTVOIJHNXVGXEB-AWEZNQCLSA-N 0 0 313.357 2.204 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cc(NC(C)=O)ccc2C)C1=O ZINC000630513262 367699491 /nfs/dbraw/zinc/69/94/91/367699491.db2.gz NQEVUKUKVBXUDJ-ZDUSSCGKSA-N 0 0 301.346 2.344 10 30 DEEERN C=C1CC(C)(C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)C1 ZINC000630621163 367763005 /nfs/dbraw/zinc/76/30/05/367763005.db2.gz YMEYTWSMRNGTBD-OAHLLOKOSA-N 0 0 318.417 2.434 10 30 DEEERN C=CCN(Cc1ccc(OC)cc1)C(=O)C1CCN(OC)CC1 ZINC000630788548 367846051 /nfs/dbraw/zinc/84/60/51/367846051.db2.gz MKVKJLIUXFXONB-UHFFFAOYSA-N 0 0 318.417 2.483 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCCOc2ccccc2OC)C1=O ZINC000630970786 367942628 /nfs/dbraw/zinc/94/26/28/367942628.db2.gz DOVOWDYNOWIBLW-CYBMUJFWSA-N 0 0 318.373 2.351 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCCc2nc3ccccc3[nH]2)C1=O ZINC000630970602 367943123 /nfs/dbraw/zinc/94/31/23/367943123.db2.gz OHVUKGLGYOJKPR-AWEZNQCLSA-N 0 0 312.373 2.382 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCOc2ccc(F)cc2F)C1=O ZINC000630971434 367943958 /nfs/dbraw/zinc/94/39/58/367943958.db2.gz HOOVFVHLIWNQBW-LBPRGKRZSA-N 0 0 310.300 2.230 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CC[C@H]2COc3ccccc3O2)C1=O ZINC000630972581 367943964 /nfs/dbraw/zinc/94/39/64/367943964.db2.gz IFVAYFPERSCKOC-STQMWFEESA-N 0 0 316.357 2.103 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccc(OC(C)C)nc2)C1=O ZINC000630970936 367944042 /nfs/dbraw/zinc/94/40/42/367944042.db2.gz QXNUMKDMQRTSPK-ZDUSSCGKSA-N 0 0 303.362 2.255 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2CCc3cc(OC)ccc3C2)C1=O ZINC000630973835 367945066 /nfs/dbraw/zinc/94/50/66/367945066.db2.gz FWZJPZJYLDCVBR-ZBFHGGJFSA-N 0 0 314.385 2.439 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@H](C)Oc2ccccc2OC)C1=O ZINC000630973871 367945258 /nfs/dbraw/zinc/94/52/58/367945258.db2.gz GCQGIVVDLCAPPF-QWHCGFSZSA-N 0 0 318.373 2.349 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H](CCCO)c2ccccc2)C1=O ZINC000630980847 367948344 /nfs/dbraw/zinc/94/83/44/367948344.db2.gz DJFCVMZCASTJPU-HUUCEWRRSA-N 0 0 302.374 2.387 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccn(Cc3ccccc3)n2)C1=O ZINC000630980471 367948765 /nfs/dbraw/zinc/94/87/65/367948765.db2.gz BETHLAASDHXXIG-MRXNPFEDSA-N 0 0 324.384 2.318 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2CCOc3c(OC)cccc32)C1=O ZINC000630983588 367949750 /nfs/dbraw/zinc/94/97/50/367949750.db2.gz WIGBIZJNJILSPD-QWHCGFSZSA-N 0 0 316.357 2.405 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(C[C@H]2CSc3ccccc3O2)C1=O ZINC000630986642 367952085 /nfs/dbraw/zinc/95/20/85/367952085.db2.gz OJUYYKUPUWPMFV-NWDGAFQWSA-N 0 0 318.398 2.426 10 30 DEEERN Cn1c(C#N)ccc1C(=O)Nc1nc2c(s1)CSCC2 ZINC000451680638 243302692 /nfs/dbraw/zinc/30/26/92/243302692.db2.gz TVNGTBLUXURZCX-UHFFFAOYSA-N 0 0 304.400 2.395 10 30 DEEERN CS[C@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000452556283 244384225 /nfs/dbraw/zinc/38/42/25/244384225.db2.gz FGMPLCSSVIPEAX-XHDPSFHLSA-N 0 0 312.435 2.212 10 30 DEEERN COc1ccc(NC(=O)c2csc(C#CCO)c2)cc1F ZINC000093974011 193332534 /nfs/dbraw/zinc/33/25/34/193332534.db2.gz PGSPZVDNTNGGGZ-UHFFFAOYSA-N 0 0 305.330 2.492 10 30 DEEERN CCN(CC(C)(C)O)C(=O)c1cc(C)c(C#CCCO)s1 ZINC000094535893 193377133 /nfs/dbraw/zinc/37/71/33/193377133.db2.gz BGOVPVNVOGGXTE-UHFFFAOYSA-N 0 0 309.431 2.023 10 30 DEEERN Cc1cc(C(=O)N[C@H](C)c2ccccn2)sc1C#CCO ZINC000094533719 193377244 /nfs/dbraw/zinc/37/72/44/193377244.db2.gz WHQKWGKEKVQSSK-GFCCVEGCSA-N 0 0 300.383 2.286 10 30 DEEERN Cc1cc(C(=O)N[C@H](C)c2nccs2)sc1C#CCO ZINC000094535621 193377303 /nfs/dbraw/zinc/37/73/03/193377303.db2.gz OMIWSHMMJUXGDH-SNVBAGLBSA-N 0 0 306.412 2.348 10 30 DEEERN Cc1cc(C(=O)N[C@@H](C)Cc2ccco2)sc1C#CCO ZINC000094534446 193377444 /nfs/dbraw/zinc/37/74/44/193377444.db2.gz OBHSDNJDNBVRBA-LBPRGKRZSA-N 0 0 303.383 2.354 10 30 DEEERN CCN(CC(F)(F)F)C(=O)c1cc(C)c(C#CCO)s1 ZINC000094534882 193377770 /nfs/dbraw/zinc/37/77/70/193377770.db2.gz MHFPHEWQRBOQAY-UHFFFAOYSA-N 0 0 305.321 2.425 10 30 DEEERN C[C@@H](CC#N)N(C)C(=O)c1cc(C(F)(F)F)ccc1NN ZINC000094596698 193382147 /nfs/dbraw/zinc/38/21/47/193382147.db2.gz KOIJJOSRDKNCSU-QMMMGPOBSA-N 0 0 300.284 2.365 10 30 DEEERN CC(=O)Nc1ccc(C#CCNC(=O)c2csc(C)n2)cc1 ZINC000096350028 193615034 /nfs/dbraw/zinc/61/50/34/193615034.db2.gz ULCCPUXCDXMPCO-UHFFFAOYSA-N 0 0 313.382 2.191 10 30 DEEERN C=C(C)Cn1c(N2CCSCC2)nnc1[C@@]1(C)CCCO1 ZINC000453466512 245150463 /nfs/dbraw/zinc/15/04/63/245150463.db2.gz OFRACOHSKZOUNV-OAHLLOKOSA-N 0 0 308.451 2.433 10 30 DEEERN C=CC(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000453877297 245336333 /nfs/dbraw/zinc/33/63/33/245336333.db2.gz FKDSJHBHXCIINK-UHFFFAOYSA-N 0 0 300.358 2.082 10 30 DEEERN C#CCCNC(=O)c1cc(C)ccc1I ZINC000264843423 204202101 /nfs/dbraw/zinc/20/21/01/204202101.db2.gz ACGHCIFCUQHYIC-UHFFFAOYSA-N 0 0 313.138 2.353 10 30 DEEERN Cc1nc(CNC(=O)c2cc(C)ccc2C#CCO)cs1 ZINC000161610771 197507574 /nfs/dbraw/zinc/50/75/74/197507574.db2.gz LROPGQKMLKDNRG-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN C=CCC[C@H](CO)NC(=O)Nc1ccc(-c2ncon2)cc1 ZINC000454342890 245679249 /nfs/dbraw/zinc/67/92/49/245679249.db2.gz ROCGYDYHPQCSMG-CYBMUJFWSA-N 0 0 302.334 2.185 10 30 DEEERN C=CCNC(=O)CNc1ccc(I)cc1 ZINC000018937213 182103458 /nfs/dbraw/zinc/10/34/58/182103458.db2.gz YXPYBBKNEUIXCM-UHFFFAOYSA-N 0 0 316.142 2.005 10 30 DEEERN O=[N+]([O-])c1ccc(/C=N/NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020457353 182219868 /nfs/dbraw/zinc/21/98/68/182219868.db2.gz BIFPLFSONKMLAM-OQLLNIDSSA-N 0 0 323.305 2.046 10 30 DEEERN Cc1ccc(CNS(=O)(=O)Cc2ccccc2C#N)cc1 ZINC000021014692 182260416 /nfs/dbraw/zinc/26/04/16/182260416.db2.gz LAPVUUJPAHVJOL-UHFFFAOYSA-N 0 0 300.383 2.486 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)CCOCC1CC1 ZINC000155720122 291609816 /nfs/dbraw/zinc/60/98/16/291609816.db2.gz PPRNXNADXNFOIM-CYBMUJFWSA-N 0 0 302.374 2.211 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCC1(CO)CC1 ZINC000456433261 247190350 /nfs/dbraw/zinc/19/03/50/247190350.db2.gz MJCMRVSZVRURPJ-MRXNPFEDSA-N 0 0 316.401 2.240 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000456668982 247349915 /nfs/dbraw/zinc/34/99/15/247349915.db2.gz XQICAARTOWFETB-CHWSQXEVSA-N 0 0 322.371 2.310 10 30 DEEERN C=CCC[C@H](CO)NC(=O)NCc1cc(Cl)ccc1OC ZINC000457871209 248053133 /nfs/dbraw/zinc/05/31/33/248053133.db2.gz WZTIJNBFTFNBCA-CYBMUJFWSA-N 0 0 312.797 2.475 10 30 DEEERN Cc1ccccc1Nc1ncnc(N(CC#N)CC#N)c1[N+](=O)[O-] ZINC000040617937 183110140 /nfs/dbraw/zinc/11/01/40/183110140.db2.gz BEKXYVQJAITBHJ-UHFFFAOYSA-N 0 0 323.316 2.290 10 30 DEEERN C=CCNC(=O)c1cc2ccc(OC(=O)CCC)cc2oc1=O ZINC000040891009 183146034 /nfs/dbraw/zinc/14/60/34/183146034.db2.gz ZWBGBSRFURBDMV-UHFFFAOYSA-N 0 0 315.325 2.414 10 30 DEEERN N#C[C@@H](c1cccs1)N1CCN(C(=O)c2ccco2)CC1 ZINC000041257215 183181455 /nfs/dbraw/zinc/18/14/55/183181455.db2.gz UMAUAYRENJABKZ-LBPRGKRZSA-N 0 0 301.371 2.364 10 30 DEEERN CCc1ccc([C@H](C#N)N2CCN(C(=O)N(C)C)CC2)cc1 ZINC000041260943 183182283 /nfs/dbraw/zinc/18/22/83/183182283.db2.gz ULAQDHXMZUFSLC-INIZCTEOSA-N 0 0 300.406 2.113 10 30 DEEERN CCCO[C@@H]1CCCN(S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000042425047 183268357 /nfs/dbraw/zinc/26/83/57/183268357.db2.gz OSFJLBLVCCUQSD-CQSZACIVSA-N 0 0 308.403 2.138 10 30 DEEERN CN(Cc1cc(C#CCO)cs1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000042401085 183263944 /nfs/dbraw/zinc/26/39/44/183263944.db2.gz ARIPTVINCPOAKW-JGGQBBKZSA-N 0 0 303.427 2.487 10 30 DEEERN N#Cc1ccc(CS(=O)(=O)Nc2ccc(N)cc2F)cc1 ZINC000043473986 183365579 /nfs/dbraw/zinc/36/55/79/183365579.db2.gz AWLUDTUMGASSDJ-UHFFFAOYSA-N 0 0 305.334 2.221 10 30 DEEERN CO[C@@H]1C[C@@H](CO)N(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000284474700 218042276 /nfs/dbraw/zinc/04/22/76/218042276.db2.gz GAVDPGBWLBRPLD-NWDGAFQWSA-N 0 0 300.280 2.163 10 30 DEEERN CC(C)n1cc([C@@]2(O)CCCN(c3ccc(C#N)cc3)C2)nn1 ZINC000284550972 218074902 /nfs/dbraw/zinc/07/49/02/218074902.db2.gz NPQGSXBOOOFTTG-QGZVFWFLSA-N 0 0 311.389 2.219 10 30 DEEERN CCNc1ncccc1S(=O)(=O)N(CCC#N)CC(C)C ZINC000050670237 183797051 /nfs/dbraw/zinc/79/70/51/183797051.db2.gz VMDRSPCOVMVJSO-UHFFFAOYSA-N 0 0 310.423 2.074 10 30 DEEERN CC[C@@H](C#N)N1CCN(C(=O)c2ccc(Cl)cc2O)CC1 ZINC000109446384 194263657 /nfs/dbraw/zinc/26/36/57/194263657.db2.gz HXKIDKCUILJUBQ-LBPRGKRZSA-N 0 0 307.781 2.106 10 30 DEEERN C#CCOC[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000056923078 184021790 /nfs/dbraw/zinc/02/17/90/184021790.db2.gz YWJMUJLBAPNVHJ-AWEZNQCLSA-N 0 0 316.357 2.405 10 30 DEEERN O=C(NCc1ccc(Cl)cc1)c1ccc(C#CCO)cn1 ZINC000061861172 184189952 /nfs/dbraw/zinc/18/99/52/184189952.db2.gz WPPOCUFAJNCSTQ-UHFFFAOYSA-N 0 0 300.745 2.009 10 30 DEEERN C[C@@H](CC#N)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000063092790 184270178 /nfs/dbraw/zinc/27/01/78/184270178.db2.gz PDDZJGYUJXSHMR-QMMMGPOBSA-N 0 0 317.754 2.171 10 30 DEEERN C=CCN(CC=C)CC(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000066215843 184397172 /nfs/dbraw/zinc/39/71/72/184397172.db2.gz HNXCXTJYTHZXBH-UHFFFAOYSA-N 0 0 315.417 2.437 10 30 DEEERN CC1(C)CC[C@@H](CNC(=O)NCc2cc(C#N)ccc2F)O1 ZINC000186927716 207368921 /nfs/dbraw/zinc/36/89/21/207368921.db2.gz CXBJARLYRNCBCJ-ZDUSSCGKSA-N 0 0 305.353 2.454 10 30 DEEERN CC1(C)CN(C(=O)c2cc(C#CCO)ccc2F)CCS1 ZINC000159024296 197320122 /nfs/dbraw/zinc/32/01/22/197320122.db2.gz AWCMPQHKCSGNEM-UHFFFAOYSA-N 0 0 307.390 2.137 10 30 DEEERN Cc1ccc(N)c(NS(=O)(=O)Cc2ccc(C#N)cc2)c1 ZINC000158592303 197286425 /nfs/dbraw/zinc/28/64/25/197286425.db2.gz PMADNWXKMVWRJC-UHFFFAOYSA-N 0 0 301.371 2.391 10 30 DEEERN C=CC[C@H](C)Nc1cnn(CCOC)c(=O)c1Br ZINC000158572120 197284524 /nfs/dbraw/zinc/28/45/24/197284524.db2.gz XISQPHOLVNEBCB-VIFPVBQESA-N 0 0 316.199 2.029 10 30 DEEERN CC[C@@H]1CN(C(=O)c2ccc(C#CCO)cc2F)CCS1 ZINC000157975443 197232330 /nfs/dbraw/zinc/23/23/30/197232330.db2.gz LZMYFMUHJJYTEZ-CYBMUJFWSA-N 0 0 307.390 2.137 10 30 DEEERN CN(Cc1ccccc1C#CCO)C(=O)[C@H]1CCCCS1 ZINC000156271163 197100220 /nfs/dbraw/zinc/10/02/20/197100220.db2.gz LBFOFUSCHFUEHT-MRXNPFEDSA-N 0 0 303.427 2.275 10 30 DEEERN C[C@@H](NC(=O)[C@@H]1CCCCS1)c1ccc(C#CCO)cc1 ZINC000156270648 197099984 /nfs/dbraw/zinc/09/99/84/197099984.db2.gz BEAJIMHUZYHOAO-CJNGLKHVSA-N 0 0 303.427 2.493 10 30 DEEERN C=CCCOCCNC(=O)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000154656401 196982938 /nfs/dbraw/zinc/98/29/38/196982938.db2.gz KUCVGAZHUOLDFF-ZDUSSCGKSA-N 0 0 320.389 2.041 10 30 DEEERN COc1ccc(-c2nnn(CC#Cc3ccccc3)n2)cc1OC ZINC000191470592 533201609 /nfs/dbraw/zinc/20/16/09/533201609.db2.gz ZGKHWVHXGJFLDD-UHFFFAOYSA-N 0 0 320.352 2.409 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc2c(c1)OCC(=O)N2 ZINC000120738202 195227823 /nfs/dbraw/zinc/22/78/23/195227823.db2.gz XIBYBVWRSVHYIF-GFCCVEGCSA-N 0 0 317.389 2.243 10 30 DEEERN CC(=O)NCCSC(=O)/C=C/C=C/c1ccc2c(c1)OCO2 ZINC000504524301 257144714 /nfs/dbraw/zinc/14/47/14/257144714.db2.gz PRFGZKUOIDTGNG-ZUVMSYQZSA-N 0 0 319.382 2.381 10 30 DEEERN C=CCN(CC=C)S(=O)(=O)c1cc(F)c(Cl)c(CO)c1 ZINC000121984534 195385273 /nfs/dbraw/zinc/38/52/73/195385273.db2.gz AGXUIOBKOAQSLY-UHFFFAOYSA-N 0 0 319.785 2.334 10 30 DEEERN C[C@@H](CS(C)(=O)=O)Nc1cc(Br)ccc1C#N ZINC000123303743 195567395 /nfs/dbraw/zinc/56/73/95/195567395.db2.gz UVIITBWEIUUNMQ-QMMMGPOBSA-N 0 0 317.208 2.166 10 30 DEEERN COc1ccc(C(=O)NC2(C#N)CCCC2)c(OC)c1OC ZINC000194388781 533319101 /nfs/dbraw/zinc/31/91/01/533319101.db2.gz FUAFJZKPBDAZII-UHFFFAOYSA-N 0 0 304.346 2.279 10 30 DEEERN Cc1ccc(C(=O)NCC(=O)NCc2ccc(C#N)cc2)cc1C ZINC000074409022 132504907 /nfs/dbraw/zinc/50/49/07/132504907.db2.gz XPMKLOZMOHYUHH-UHFFFAOYSA-N 0 0 321.380 2.221 10 30 DEEERN Cn1cc(Cl)cc1C(=O)NCCOc1ccc(C#N)cc1 ZINC000174154503 132507289 /nfs/dbraw/zinc/50/72/89/132507289.db2.gz RIMDVTKVHNNJFI-UHFFFAOYSA-N 0 0 303.749 2.359 10 30 DEEERN Cc1cc2c(cc1NC(=O)N1CC3(C1)CCCOC3)OCO2 ZINC000329493553 292010923 /nfs/dbraw/zinc/01/09/23/292010923.db2.gz CVUQBHZBBKHYLW-UHFFFAOYSA-N 0 0 304.346 2.382 10 30 DEEERN C[C@H](C(=O)N(c1ccccn1)C1CCCC1)n1cnc(C#N)n1 ZINC000546977046 285539772 /nfs/dbraw/zinc/53/97/72/285539772.db2.gz NBULCXJRONXBEJ-GFCCVEGCSA-N 0 0 310.361 2.082 10 30 DEEERN C[C@@H](C(=O)Nc1ccc(F)cc1-n1cccc1)n1cnc(C#N)n1 ZINC000361894570 133198658 /nfs/dbraw/zinc/19/86/58/133198658.db2.gz PVDSMXFWGWVNHV-NSHDSACASA-N 0 0 324.319 2.279 10 30 DEEERN COC(=O)c1cc(C(C)(C)NC(=O)c2ccc(C#N)s2)no1 ZINC000362316095 133223436 /nfs/dbraw/zinc/22/34/36/133223436.db2.gz SIMTZYCRLCAEFA-UHFFFAOYSA-N 0 0 319.342 2.059 10 30 DEEERN N#Cc1ccsc1C(=O)N1CCOC2(CCOCC2)CC1 ZINC000377255744 133323759 /nfs/dbraw/zinc/32/37/59/133323759.db2.gz IXZJVVJPKAXLPR-UHFFFAOYSA-N 0 0 306.387 2.031 10 30 DEEERN Cc1ccnc(N2CCC(C(=O)N3CCCCC3)CC2)c1C#N ZINC000373286320 133385707 /nfs/dbraw/zinc/38/57/07/133385707.db2.gz FHGBYBOZPYKVDO-UHFFFAOYSA-N 0 0 312.417 2.491 10 30 DEEERN CC(=O)c1cc(C(=O)NCc2cc(F)c(C#N)c(F)c2)n(C)c1 ZINC000563498506 292059624 /nfs/dbraw/zinc/05/96/24/292059624.db2.gz RAPMQADAQJPHJD-UHFFFAOYSA-N 0 0 317.295 2.308 10 30 DEEERN C=CCOc1cccc(NC(=O)N2CC(F)(F)C[C@H]2CO)c1 ZINC000364620260 404473780 /nfs/dbraw/zinc/47/37/80/404473780.db2.gz CMHXZGXHGMTXLV-LBPRGKRZSA-N 0 0 312.316 2.485 10 30 DEEERN N#Cc1ccc(OC2CN(C(=O)NCc3cccc(O)c3)C2)cc1 ZINC000133829706 144776634 /nfs/dbraw/zinc/77/66/34/144776634.db2.gz IGQHUJWQROELJK-UHFFFAOYSA-N 0 0 323.352 2.237 10 30 DEEERN CC[C@@H]1C[C@H](C(=O)NCCOc2ccc(C#N)cc2)CCO1 ZINC000180281514 144886865 /nfs/dbraw/zinc/88/68/65/144886865.db2.gz NTHQRBSONLORRP-HUUCEWRRSA-N 0 0 302.374 2.258 10 30 DEEERN Cc1nc(C(=O)Nc2cccc3c2OCC[C@@H]3O)ccc1C#N ZINC000185323792 144960340 /nfs/dbraw/zinc/96/03/40/144960340.db2.gz OMAWIOFWRVHPJT-HNNXBMFYSA-N 0 0 309.325 2.330 10 30 DEEERN N#Cc1cc(C(=O)NCc2ccc(-n3cccn3)cc2)ccn1 ZINC000192683740 145077231 /nfs/dbraw/zinc/07/72/31/145077231.db2.gz XVCBOYAXQOMWKN-UHFFFAOYSA-N 0 0 303.325 2.069 10 30 DEEERN Cc1nc(-c2ccc(NC(=O)c3ccnc(C#N)c3)cc2)n[nH]1 ZINC000193017583 145081763 /nfs/dbraw/zinc/08/17/63/145081763.db2.gz NPFGHENLTLFYCI-UHFFFAOYSA-N 0 0 304.313 2.299 10 30 DEEERN Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccnc(C#N)c1 ZINC000193289251 145084616 /nfs/dbraw/zinc/08/46/16/145084616.db2.gz HNBYRQSXPMIRDJ-QFIPXVFZSA-N 0 0 313.382 2.393 10 30 DEEERN CC[C@H](C)Oc1cc(CNC(=O)c2ccnc(C#N)c2)ccn1 ZINC000193768332 145089775 /nfs/dbraw/zinc/08/97/75/145089775.db2.gz YIIMXOIXUJXYST-LBPRGKRZSA-N 0 0 310.357 2.456 10 30 DEEERN Cn1cccc1[C@H]1COCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000249404156 145183897 /nfs/dbraw/zinc/18/38/97/145183897.db2.gz WDHQURCONOBYKI-QZTJIDSGSA-N 0 0 311.385 2.004 10 30 DEEERN CO[C@@H]1CN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC[C@@H]1C ZINC000252005443 145198207 /nfs/dbraw/zinc/19/82/07/145198207.db2.gz WYSNFUSJDHMXHK-WOSRLPQWSA-N 0 0 301.390 2.242 10 30 DEEERN CC(=O)N1CCN(Cc2ccc(C#N)cc2OC(F)F)[C@@H](C)C1 ZINC000357299207 147082742 /nfs/dbraw/zinc/08/27/42/147082742.db2.gz HKXSDDPKQZCTKE-NSHDSACASA-N 0 0 323.343 2.212 10 30 DEEERN N#Cc1ccncc1C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000358474028 147140436 /nfs/dbraw/zinc/14/04/36/147140436.db2.gz VCPPWVACGKZYDI-UHFFFAOYSA-N 0 0 317.352 2.128 10 30 DEEERN Cn1cc([C@@H]2CCCN(c3nc4ccccn4c3C#N)C2)cn1 ZINC000367974727 147813731 /nfs/dbraw/zinc/81/37/31/147813731.db2.gz UGTHOVDZCAPSSH-CYBMUJFWSA-N 0 0 306.373 2.323 10 30 DEEERN C[C@@H]1[C@@H](C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1(F)F ZINC000408230479 148578690 /nfs/dbraw/zinc/57/86/90/148578690.db2.gz BGZRGBVINUTOIC-SWHYSGLUSA-N 0 0 306.312 2.359 10 30 DEEERN CO[C@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)CC[C@H]1C ZINC000251593048 286073408 /nfs/dbraw/zinc/07/34/08/286073408.db2.gz FOKTXKHFIWLMCX-YGRLFVJLSA-N 0 0 305.378 2.063 10 30 DEEERN N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000111921365 401728174 /nfs/dbraw/zinc/72/81/74/401728174.db2.gz ZRZFJZIRUCOUGB-RDJZCZTQSA-N 0 0 319.364 2.417 10 30 DEEERN CNC(=O)Cc1nc(COc2ccc(C#N)cc2F)cs1 ZINC000127462661 401736187 /nfs/dbraw/zinc/73/61/87/401736187.db2.gz AFXJFIDVGGSZFW-UHFFFAOYSA-N 0 0 305.334 2.021 10 30 DEEERN N#Cc1cnc(N2CCN(Cc3ccccc3Cl)CC2)cn1 ZINC000127511945 401738507 /nfs/dbraw/zinc/73/85/07/401738507.db2.gz WMPITCVUQTVKBZ-UHFFFAOYSA-N 0 0 313.792 2.324 10 30 DEEERN CC1(C)OC(C)(C)/C(=C/c2ccc(OCC(N)=O)cc2)C1=O ZINC000000095052 401688036 /nfs/dbraw/zinc/68/80/36/401688036.db2.gz DUBVOQNSSKIHGG-UKTHLTGXSA-N 0 0 303.358 2.091 10 30 DEEERN CC[C@H](CC#N)NC(=O)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000128508680 401780117 /nfs/dbraw/zinc/78/01/17/401780117.db2.gz ZDLMVGNNPKUVIQ-WCQYABFASA-N 0 0 303.362 2.141 10 30 DEEERN C=C[C@@H](C)NC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000128567673 401783229 /nfs/dbraw/zinc/78/32/29/401783229.db2.gz SLMAUVXLMUJVSF-CQSZACIVSA-N 0 0 315.417 2.299 10 30 DEEERN C=CCCCN(C)C(=O)[C@H](C)N1C(=O)c2ccc(C)cc2C1=O ZINC000076484623 401796607 /nfs/dbraw/zinc/79/66/07/401796607.db2.gz YMDHUOSYEVSHPJ-ZDUSSCGKSA-N 0 0 314.385 2.404 10 30 DEEERN C=CCNC(=O)NC(=O)[C@H](C)N(C)Cc1ccc(Cl)cc1 ZINC000031006919 401867950 /nfs/dbraw/zinc/86/79/50/401867950.db2.gz SSFVOLPIBHFTDP-NSHDSACASA-N 0 0 309.797 2.172 10 30 DEEERN C=C(C)COCCNC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000135025014 401924632 /nfs/dbraw/zinc/92/46/32/401924632.db2.gz VWNZTYVJNGBICW-UHFFFAOYSA-N 0 0 314.389 2.264 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1cccc(OCC(F)F)n1 ZINC000133466709 401887587 /nfs/dbraw/zinc/88/75/87/401887587.db2.gz HXXUPPKXTFEEMV-UHFFFAOYSA-N 0 0 306.272 2.188 10 30 DEEERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(C#N)cs1 ZINC000084113808 401902361 /nfs/dbraw/zinc/90/23/61/401902361.db2.gz IRKHUIQPBJDRQK-SECBINFHSA-N 0 0 302.403 2.331 10 30 DEEERN CCn1cnnc1C1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000084295837 401904425 /nfs/dbraw/zinc/90/44/25/401904425.db2.gz LLHBAJJLYZKCPG-UHFFFAOYSA-N 0 0 315.402 2.251 10 30 DEEERN C=C(C)COCCNC(=O)C(=O)Nc1ccc(CC)c(F)c1 ZINC000119552739 401958136 /nfs/dbraw/zinc/95/81/36/401958136.db2.gz TXHWKDRYKGKSPV-UHFFFAOYSA-N 0 0 308.353 2.036 10 30 DEEERN C=C(C)COc1cccc(NC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000150839077 401998841 /nfs/dbraw/zinc/99/88/41/401998841.db2.gz WSNFYKNBCBOOFJ-INIZCTEOSA-N 0 0 319.405 2.094 10 30 DEEERN N#CCN(CC#N)C(=O)c1c[nH]c2cccc(Br)c21 ZINC000091041394 401990722 /nfs/dbraw/zinc/99/07/22/401990722.db2.gz OWCOULRJQHSNKG-UHFFFAOYSA-N 0 0 317.146 2.420 10 30 DEEERN COC[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(F)c(F)c1 ZINC000091047145 401991297 /nfs/dbraw/zinc/99/12/97/401991297.db2.gz XVYBPOSLAYLVEV-AWEZNQCLSA-N 0 0 319.311 2.292 10 30 DEEERN CN1C[C@@H](Nc2ccc(C#N)cc2Br)CCC1=O ZINC000119347452 401943384 /nfs/dbraw/zinc/94/33/84/401943384.db2.gz ONCSAXLJFRACPD-JTQLQIEISA-N 0 0 308.179 2.353 10 30 DEEERN C=CCCCN(C)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000151022779 402011145 /nfs/dbraw/zinc/01/11/45/402011145.db2.gz GTBFPKRISLPZQC-ZDUSSCGKSA-N 0 0 306.385 2.407 10 30 DEEERN N#CCc1cccc(C(=O)NCc2cccnc2-n2ccnc2)c1 ZINC000052408464 402042370 /nfs/dbraw/zinc/04/23/70/402042370.db2.gz GPHALUHKNBICEY-UHFFFAOYSA-N 0 0 317.352 2.263 10 30 DEEERN C=CCn1c(Sc2cnc(C#N)cn2)nnc1-c1cccnc1 ZINC000120953694 402008075 /nfs/dbraw/zinc/00/80/75/402008075.db2.gz ZHJRCTHOXXVDIJ-UHFFFAOYSA-N 0 0 321.369 2.339 10 30 DEEERN C=CCCOCCNC(=O)N1CCC[C@@H](n2ccnc2CC)C1 ZINC000122468118 402079742 /nfs/dbraw/zinc/07/97/42/402079742.db2.gz SDUUNCQDTUKKDP-OAHLLOKOSA-N 0 0 320.437 2.385 10 30 DEEERN C=CCOc1ccccc1C(=O)Nc1cc(CCOC)nn1C ZINC000122920958 402101376 /nfs/dbraw/zinc/10/13/76/402101376.db2.gz HEELFMRTIOIUCN-UHFFFAOYSA-N 0 0 315.373 2.426 10 30 DEEERN N#CC1(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CCCC1 ZINC000097076110 402104003 /nfs/dbraw/zinc/10/40/03/402104003.db2.gz DTPNYMVNSDJGSS-GFCCVEGCSA-N 0 0 301.321 2.204 10 30 DEEERN C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)OC(C)(C)C ZINC000152875828 402113984 /nfs/dbraw/zinc/11/39/84/402113984.db2.gz IYGZNROOICDDFQ-NEPJUHHUSA-N 0 0 318.373 2.172 10 30 DEEERN C=CCc1cc(C(=O)N[C@@H](C)[C@H](C)CO)cc(OC)c1OC ZINC000151892227 402063833 /nfs/dbraw/zinc/06/38/33/402063833.db2.gz BKSIAPXYUIUNIN-NEPJUHHUSA-N 0 0 307.390 2.179 10 30 DEEERN CC(=O)N[C@@H](CC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000122198213 402066328 /nfs/dbraw/zinc/06/63/28/402066328.db2.gz CMGOWPOLPHSITG-RDJZCZTQSA-N 0 0 301.390 2.308 10 30 DEEERN C[C@@H](C(=O)N(CCC#N)Cc1cccnc1)C1CCOCC1 ZINC000123463289 402129086 /nfs/dbraw/zinc/12/90/86/402129086.db2.gz CPAYFGNGCZXXRL-CQSZACIVSA-N 0 0 301.390 2.387 10 30 DEEERN C=CC1CCN(C(=O)N[C@@H](C)c2nnc3n2CCCC3)CC1 ZINC000153557392 402152968 /nfs/dbraw/zinc/15/29/68/402152968.db2.gz IDPZOXYLUVHYCS-LBPRGKRZSA-N 0 0 303.410 2.283 10 30 DEEERN CC[C@H](C#N)NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000123898335 402152971 /nfs/dbraw/zinc/15/29/71/402152971.db2.gz STLGEDZEXWTJHL-TZMCWYRMSA-N 0 0 300.362 2.101 10 30 DEEERN N#Cc1nccn1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000123958685 402156328 /nfs/dbraw/zinc/15/63/28/402156328.db2.gz ASJIRPTWBJJALL-UHFFFAOYSA-N 0 0 309.354 2.025 10 30 DEEERN C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000103441223 402188113 /nfs/dbraw/zinc/18/81/13/402188113.db2.gz KQWZOHBUMMUSBK-JQWIXIFHSA-N 0 0 321.327 2.078 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(OC)no1 ZINC000155647267 402264089 /nfs/dbraw/zinc/26/40/89/402264089.db2.gz LKJGOMPPUZOTLI-UHFFFAOYSA-N 0 0 317.301 2.420 10 30 DEEERN Cc1nc(C#N)c(C#N)n1Cc1nc(-c2cccc(C)c2)no1 ZINC000155248522 402250121 /nfs/dbraw/zinc/25/01/21/402250121.db2.gz OMOFTFBXJDEMHK-UHFFFAOYSA-N 0 0 304.313 2.342 10 30 DEEERN Cc1cnn(C[C@H]2CN(c3snc(Cl)c3C#N)CCO2)c1 ZINC000108950014 402265123 /nfs/dbraw/zinc/26/51/23/402265123.db2.gz PXZUPYLPWMRAIB-SNVBAGLBSA-N 0 0 323.809 2.079 10 30 DEEERN C=CCCOCCNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000155452260 402257596 /nfs/dbraw/zinc/25/75/96/402257596.db2.gz XOBHQZXVUVEPQO-GJZGRUSLSA-N 0 0 317.385 2.270 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)CCO1 ZINC000155600545 402262502 /nfs/dbraw/zinc/26/25/02/402262502.db2.gz IUWIWZODFSNYDZ-GIPNMCIBSA-N 0 0 323.755 2.269 10 30 DEEERN CCOC(=O)c1ccc(NC(=O)c2cc(C#N)cn2C)c(O)c1 ZINC000176159206 402285082 /nfs/dbraw/zinc/28/50/82/402285082.db2.gz JNFUWJKBPGCXDN-UHFFFAOYSA-N 0 0 313.313 2.031 10 30 DEEERN N#Cc1ccc(OC2CN(C[C@@H](O)c3ccccc3F)C2)cc1 ZINC000158554279 402308206 /nfs/dbraw/zinc/30/82/06/402308206.db2.gz XNTHIDPAVUIKNB-GOSISDBHSA-N 0 0 312.344 2.494 10 30 DEEERN CC(C)C[C@H](CO)N(C)C(=O)NCc1ccc(C#N)cc1F ZINC000185383176 402348814 /nfs/dbraw/zinc/34/88/14/402348814.db2.gz RZMPRRGYEHFNNX-CQSZACIVSA-N 0 0 307.369 2.246 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000185410035 402350452 /nfs/dbraw/zinc/35/04/52/402350452.db2.gz CNIJRIMCDIJHJQ-PIGZYNQJSA-N 0 0 315.373 2.282 10 30 DEEERN C=CC[C@H](CO)NC(=O)CSc1nc2ccccc2n1CC ZINC000185897595 402387569 /nfs/dbraw/zinc/38/75/69/402387569.db2.gz CAVRIKTXGMDADA-GFCCVEGCSA-N 0 0 319.430 2.202 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1nc(-c2ccsc2)oc1C ZINC000185817583 402379703 /nfs/dbraw/zinc/37/97/03/402379703.db2.gz DPHVFPQQRXVHLP-LBPRGKRZSA-N 0 0 306.387 2.307 10 30 DEEERN C=C(C)[C@@H](NC(=O)N1CCNC(=O)CC1)c1ccc(F)c(F)c1 ZINC000185831608 402381216 /nfs/dbraw/zinc/38/12/16/402381216.db2.gz HELGQPCPALIQOU-OAHLLOKOSA-N 0 0 323.343 2.114 10 30 DEEERN C#CCC(C)(C)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000185837669 402381643 /nfs/dbraw/zinc/38/16/43/402381643.db2.gz NCVLCEIBYNVBRE-LBPRGKRZSA-N 0 0 305.809 2.479 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1cc(Br)ccc1F ZINC000185870999 402384352 /nfs/dbraw/zinc/38/43/52/402384352.db2.gz MNIKTKQXXFMINY-NSHDSACASA-N 0 0 316.170 2.184 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000185885497 402385729 /nfs/dbraw/zinc/38/57/29/402385729.db2.gz VCCODZXRJFORSE-LBPRGKRZSA-N 0 0 305.765 2.193 10 30 DEEERN C=CC[C@H](CO)NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000185887507 402385872 /nfs/dbraw/zinc/38/58/72/402385872.db2.gz APXMHAPFEZAJQC-SECBINFHSA-N 0 0 304.173 2.425 10 30 DEEERN COCCOc1ccc(Cl)cc1C(=O)N[C@H](C#N)C1CC1 ZINC000161682154 402395819 /nfs/dbraw/zinc/39/58/19/402395819.db2.gz ATJBNGPWWUNAST-CYBMUJFWSA-N 0 0 308.765 2.397 10 30 DEEERN Cc1ccc(-n2cnnn2)cc1NC(=O)c1ccc(C#N)cc1C ZINC000161783016 402398926 /nfs/dbraw/zinc/39/89/26/402398926.db2.gz FMPPCIIVHVAITH-UHFFFAOYSA-N 0 0 318.340 2.403 10 30 DEEERN N#Cc1cccc(CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000162654610 402427044 /nfs/dbraw/zinc/42/70/44/402427044.db2.gz SWFLPRIVZSJTGG-SJLPKXTDSA-N 0 0 313.401 2.395 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000186648076 402451416 /nfs/dbraw/zinc/45/14/16/402451416.db2.gz UVRDHRYMZPSTTI-KBPBESRZSA-N 0 0 321.396 2.031 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCc1cccc(Br)c1 ZINC000185923247 402389873 /nfs/dbraw/zinc/38/98/73/402389873.db2.gz PRPSDIISHRQAES-ZDUSSCGKSA-N 0 0 312.207 2.435 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000185974116 402394092 /nfs/dbraw/zinc/39/40/92/402394092.db2.gz YOAFCJOLTKIYHC-ZIAGYGMSSA-N 0 0 317.414 2.469 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc(CCC(C)C)cc1 ZINC000186668387 402453196 /nfs/dbraw/zinc/45/31/96/402453196.db2.gz DBNSBZCNRIDACM-HNNXBMFYSA-N 0 0 311.447 2.491 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000178568548 402512504 /nfs/dbraw/zinc/51/25/04/402512504.db2.gz RMQUQGKCJZLTLQ-ZDUSSCGKSA-N 0 0 313.279 2.398 10 30 DEEERN Cc1nnc([C@H]2CN(Cc3ccc(Cl)cc3C#N)CCO2)[nH]1 ZINC000187089683 402482256 /nfs/dbraw/zinc/48/22/56/402482256.db2.gz BCQCICJKZCUVEQ-CQSZACIVSA-N 0 0 317.780 2.212 10 30 DEEERN N#CC1(CS(=O)(=O)N[C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000166235584 402482224 /nfs/dbraw/zinc/48/22/24/402482224.db2.gz PIJOSGNPFQOKPG-CQSZACIVSA-N 0 0 308.378 2.426 10 30 DEEERN COC(=O)CC[N@H+](CC#Cc1ccccc1)C[C@@H]1CCCO1 ZINC000178857050 402547317 /nfs/dbraw/zinc/54/73/17/402547317.db2.gz VIPPBAWIIKNHDF-KRWDZBQOSA-N 0 0 301.386 2.082 10 30 DEEERN CCn1cc(C(=O)/C=C/c2cnc(N3CCOCC3)s2)cn1 ZINC000171046190 402552315 /nfs/dbraw/zinc/55/23/15/402552315.db2.gz LHAABLQEFQQILF-ONEGZZNKSA-N 0 0 318.402 2.092 10 30 DEEERN C=CCOc1ccc(-c2nnc(S[C@H]3CCNC3=O)o2)cc1 ZINC000179094208 402572035 /nfs/dbraw/zinc/57/20/35/402572035.db2.gz XTODGWRWCDXRAF-LBPRGKRZSA-N 0 0 317.370 2.282 10 30 DEEERN C[C@@H](CC#N)N(C)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000171551531 402593291 /nfs/dbraw/zinc/59/32/91/402593291.db2.gz JVQQYMUSXABSSW-STQMWFEESA-N 0 0 309.410 2.394 10 30 DEEERN N#C[C@H]1CN(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)CCO1 ZINC000171601391 402600340 /nfs/dbraw/zinc/60/03/40/402600340.db2.gz BFVBZKBVZHTKSM-GXTWGEPZSA-N 0 0 305.765 2.261 10 30 DEEERN N#Cc1c(CN2CCC[C@H](n3cncn3)C2)cn2ccccc12 ZINC000171701754 402611814 /nfs/dbraw/zinc/61/18/14/402611814.db2.gz MVPHXWVUSNEIRK-HNNXBMFYSA-N 0 0 306.373 2.240 10 30 DEEERN C#CCCCCC(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000180451018 402616888 /nfs/dbraw/zinc/61/68/88/402616888.db2.gz GOTTVTVHRDUJSE-ZBFHGGJFSA-N 0 0 302.418 2.182 10 30 DEEERN C[C@@H]1OCCC[C@H]1C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000190905405 402630669 /nfs/dbraw/zinc/63/06/69/402630669.db2.gz AKEHFCPPCQMGMT-GOEBONIOSA-N 0 0 313.401 2.022 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000181102011 402635476 /nfs/dbraw/zinc/63/54/76/402635476.db2.gz VKWWCKMORRNWEF-OLZOCXBDSA-N 0 0 321.425 2.195 10 30 DEEERN N#Cc1ccc(OCCNC(=O)c2cccc3c2OCO3)cc1 ZINC000173884659 402716906 /nfs/dbraw/zinc/71/69/06/402716906.db2.gz AOWNEOVIWDTQLT-UHFFFAOYSA-N 0 0 310.309 2.096 10 30 DEEERN CCOc1ncccc1C(=O)NCCOc1ccc(C#N)cc1 ZINC000173901981 402717985 /nfs/dbraw/zinc/71/79/85/402717985.db2.gz YANFAFPDSJWNAD-UHFFFAOYSA-N 0 0 311.341 2.161 10 30 DEEERN N#Cc1ccc2ncc(C=Cc3nc4cnccc4c(=O)[nH]3)n2c1 ZINC000255223494 402682217 /nfs/dbraw/zinc/68/22/17/402682217.db2.gz JZMDPHOHTXIYMR-IHWYPQMZSA-N 0 0 314.308 2.420 10 30 DEEERN N#CC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000173334225 402692810 /nfs/dbraw/zinc/69/28/10/402692810.db2.gz UKYQXDHQDDTPDB-HUUCEWRRSA-N 0 0 312.369 2.323 10 30 DEEERN CC(C)c1cc(C(=O)NCCOc2ccc(C#N)cc2)nn1C ZINC000173475067 402698763 /nfs/dbraw/zinc/69/87/63/402698763.db2.gz LSTZWKJUHRWSMF-UHFFFAOYSA-N 0 0 312.373 2.224 10 30 DEEERN C#CCCCNC(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000174080975 402726169 /nfs/dbraw/zinc/72/61/69/402726169.db2.gz MOVANTXTDOZXBG-UHFFFAOYSA-N 0 0 320.462 2.082 10 30 DEEERN C=C(C)CN(C)C(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C ZINC000183056063 402735632 /nfs/dbraw/zinc/73/56/32/402735632.db2.gz DACKYBIVAPDTLB-INIZCTEOSA-N 0 0 318.417 2.484 10 30 DEEERN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(CCCC)cc1 ZINC000183183447 402745702 /nfs/dbraw/zinc/74/57/02/402745702.db2.gz HAGHODIEIDZHOK-OAHLLOKOSA-N 0 0 304.390 2.021 10 30 DEEERN C#CCNC(=O)c1ccc(N2CCC[C@H](C(F)(F)F)C2)nc1 ZINC000193296703 402769983 /nfs/dbraw/zinc/76/99/83/402769983.db2.gz LMRZITMYOXREJD-LBPRGKRZSA-N 0 0 311.307 2.223 10 30 DEEERN N#Cc1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000194357359 402793695 /nfs/dbraw/zinc/79/36/95/402793695.db2.gz QENDABURVQQWRI-MRXNPFEDSA-N 0 0 320.396 2.205 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCC(C)(C)c1cccc(OC)c1 ZINC000183780078 402796957 /nfs/dbraw/zinc/79/69/57/402796957.db2.gz HHBIEJQIOBHDMM-AWEZNQCLSA-N 0 0 306.406 2.209 10 30 DEEERN CC[C@@H](CC#N)NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000183973012 402809720 /nfs/dbraw/zinc/80/97/20/402809720.db2.gz LDCYPQWVWSKDGY-BDAKNGLRSA-N 0 0 314.311 2.342 10 30 DEEERN N#Cc1ccc(C(=O)N2CCN(c3cccs3)C(=O)C2)cc1 ZINC000184080566 402816223 /nfs/dbraw/zinc/81/62/23/402816223.db2.gz SMNCBFFMOXTAOF-UHFFFAOYSA-N 0 0 311.366 2.109 10 30 DEEERN CC[C@H](CC#N)NC(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC000184162127 402823038 /nfs/dbraw/zinc/82/30/38/402823038.db2.gz GNCLHWIDNCEFBS-GFCCVEGCSA-N 0 0 323.393 2.306 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@@H](CC)Oc1ccccc1C ZINC000183660740 402786389 /nfs/dbraw/zinc/78/63/89/402786389.db2.gz DBLCNLHRHPMDRY-HUUCEWRRSA-N 0 0 306.406 2.389 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000184467954 402845540 /nfs/dbraw/zinc/84/55/40/402845540.db2.gz PABDHSHUWSDJNP-CYBMUJFWSA-N 0 0 307.369 2.484 10 30 DEEERN N#Cc1ccc(OCCNC(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000176042791 402850090 /nfs/dbraw/zinc/85/00/90/402850090.db2.gz QJJKJFHUTKAKSL-MRXNPFEDSA-N 0 0 323.352 2.370 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc2c1oc(=O)n2C ZINC000278785571 402870603 /nfs/dbraw/zinc/87/06/03/402870603.db2.gz PTQHQFFGYLIJQT-ZWNOBZJWSA-N 0 0 302.330 2.051 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 ZINC000278905734 402884343 /nfs/dbraw/zinc/88/43/43/402884343.db2.gz QBMSYCPEFYZVDE-RDJZCZTQSA-N 0 0 316.445 2.193 10 30 DEEERN C=CCCCCNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000274617099 403072303 /nfs/dbraw/zinc/07/23/03/403072303.db2.gz VUBZYHUITHRYSU-UHFFFAOYSA-N 0 0 313.405 2.141 10 30 DEEERN Cc1nc(CC2CC2)sc1C(=O)NCc1nnc(C)n1C ZINC000329921211 404494334 /nfs/dbraw/zinc/49/43/34/404494334.db2.gz HNIOIRQJOUYOGW-UHFFFAOYSA-N 0 0 305.407 2.346 10 30 DEEERN C=CCn1c(C2CCC2)nnc1N1CC[C@@](O)(C(F)(F)F)C1 ZINC000282133820 403125484 /nfs/dbraw/zinc/12/54/84/403125484.db2.gz AWMHSEDQCLMJBO-ZDUSSCGKSA-N 0 0 316.327 2.235 10 30 DEEERN C=C(C)COc1cc(CN2CC(=O)N(C)[C@H](C)C2)ccc1OC ZINC000282864073 403163045 /nfs/dbraw/zinc/16/30/45/403163045.db2.gz XMDVWKYBRQCLTF-CQSZACIVSA-N 0 0 318.417 2.313 10 30 DEEERN Cc1ccc2c(c1)N(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@@H](C)O2 ZINC000282965412 403164442 /nfs/dbraw/zinc/16/44/42/403164442.db2.gz KTSGRVVTZXCRRO-CHWSQXEVSA-N 0 0 323.418 2.061 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CC[C@@H](CC)C1 ZINC000283144587 403175460 /nfs/dbraw/zinc/17/54/60/403175460.db2.gz DFORUSPNCDQYEY-KGLIPLIRSA-N 0 0 306.410 2.178 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cncc(OCCOC)c1 ZINC000282293987 403140522 /nfs/dbraw/zinc/14/05/22/403140522.db2.gz WHRZAKGEOOSSAR-UHFFFAOYSA-N 0 0 318.295 2.297 10 30 DEEERN C=CCn1c(-c2cccnc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000282545746 403155885 /nfs/dbraw/zinc/15/58/85/403155885.db2.gz IKMJNJPBTNYJRT-MRXNPFEDSA-N 0 0 324.432 2.201 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC000283606352 403209504 /nfs/dbraw/zinc/20/95/04/403209504.db2.gz MQRVJBXUVSOMLM-KRWDZBQOSA-N 0 0 319.453 2.145 10 30 DEEERN Cc1cc(S(=O)(=O)N(CC(F)F)C2CC2)ccc1C#N ZINC000277960497 403274969 /nfs/dbraw/zinc/27/49/69/403274969.db2.gz KQLGVPZCMLRPNN-UHFFFAOYSA-N 0 0 300.330 2.285 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](COC)C1 ZINC000285218088 403279403 /nfs/dbraw/zinc/27/94/03/403279403.db2.gz FDZJZDTZXQJIEN-IAGOWNOFSA-N 0 0 300.402 2.299 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1cc(C)on1 ZINC000285403046 403288334 /nfs/dbraw/zinc/28/83/34/403288334.db2.gz UEPWZNHPVBEURH-HNNXBMFYSA-N 0 0 318.398 2.037 10 30 DEEERN Cc1nc(N2CCO[C@@]3(CCCOC3)C2)c(Cl)cc1C#N ZINC000292358875 403357749 /nfs/dbraw/zinc/35/77/49/403357749.db2.gz COYMRSMCZCNWBI-HNNXBMFYSA-N 0 0 307.781 2.301 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CC(C)(C)C ZINC000285714153 403364253 /nfs/dbraw/zinc/36/42/53/403364253.db2.gz IBZKRWOSVKKLHE-INIZCTEOSA-N 0 0 314.429 2.290 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](CC)[C@@H](O)C(F)F ZINC000298101091 403321942 /nfs/dbraw/zinc/32/19/42/403321942.db2.gz WSPVHTPEVMHXIT-RBSFLKMASA-N 0 0 324.371 2.325 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(OCCC)nc1 ZINC000345900666 403525919 /nfs/dbraw/zinc/52/59/19/403525919.db2.gz INVNFILJENSBBB-HOCLYGCPSA-N 0 0 304.390 2.468 10 30 DEEERN C=CCOCC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000343299735 403531300 /nfs/dbraw/zinc/53/13/00/403531300.db2.gz MRYFWRQZIBWPOT-HOCLYGCPSA-N 0 0 310.344 2.029 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H]3C(C)C)cc2C1=O ZINC000343315976 403537505 /nfs/dbraw/zinc/53/75/05/403537505.db2.gz XKRVFMUGHLASSU-HNNXBMFYSA-N 0 0 312.369 2.339 10 30 DEEERN C[C@@H](CC(=O)NCC#CCO)c1ccc(Br)cc1 ZINC000299161332 403538061 /nfs/dbraw/zinc/53/80/61/403538061.db2.gz ZOXRWFCVLZEVOI-NSHDSACASA-N 0 0 310.191 2.055 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000287120230 403554790 /nfs/dbraw/zinc/55/47/90/403554790.db2.gz GBRFGXCTPDSUMZ-AWEZNQCLSA-N 0 0 324.380 2.483 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)[C@H](CO)SC ZINC000287286177 403567815 /nfs/dbraw/zinc/56/78/15/403567815.db2.gz CEPZKFRTTUBDME-IMJJTQAJSA-N 0 0 320.458 2.033 10 30 DEEERN C=CCNC(=O)Cc1noc(-c2cccc(F)c2OCC)n1 ZINC000346957833 403608700 /nfs/dbraw/zinc/60/87/00/403608700.db2.gz DRQOHSYUWXNNHX-UHFFFAOYSA-N 0 0 305.309 2.119 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCc1cnn(CC)c1 ZINC000287581292 403627267 /nfs/dbraw/zinc/62/72/67/403627267.db2.gz XXDVELPRMCSCKG-QGZVFWFLSA-N 0 0 310.401 2.337 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccc(C(=O)NCCCC)cc1 ZINC000287637728 403639792 /nfs/dbraw/zinc/63/97/92/403639792.db2.gz OLTOWJHAGIGEDI-UHFFFAOYSA-N 0 0 324.424 2.496 10 30 DEEERN C=CCCCNC(=O)C(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000288791689 403770802 /nfs/dbraw/zinc/77/08/02/403770802.db2.gz ZIIQRQHATGRBGL-LBPRGKRZSA-N 0 0 320.437 2.206 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCC(O)(CC)CC ZINC000288360512 403747048 /nfs/dbraw/zinc/74/70/48/403747048.db2.gz ZQSWQMHPEQSRJQ-MRXNPFEDSA-N 0 0 302.418 2.471 10 30 DEEERN COc1cccc([C@H](C#N)NC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000409438123 403826630 /nfs/dbraw/zinc/82/66/30/403826630.db2.gz CEPJWSQBJFCAOS-HNNXBMFYSA-N 0 0 317.389 2.469 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccnn1CC(F)(F)F ZINC000295173809 403783965 /nfs/dbraw/zinc/78/39/65/403783965.db2.gz QLOLMJRPIHKBFC-JQWIXIFHSA-N 0 0 317.311 2.156 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N(C)Cc1cc[nH]n1 ZINC000361761225 403848495 /nfs/dbraw/zinc/84/84/95/403848495.db2.gz WKKCNUYZSPVWFL-UHFFFAOYSA-N 0 0 301.346 2.255 10 30 DEEERN Cn1ccc([C@@H](NC(=O)CCCC#N)c2ccc(F)cc2)n1 ZINC000362040949 403918710 /nfs/dbraw/zinc/91/87/10/403918710.db2.gz SXWIXYKYLCBHGU-INIZCTEOSA-N 0 0 300.337 2.459 10 30 DEEERN C=CCC(F)(F)C(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000295436053 403923037 /nfs/dbraw/zinc/92/30/37/403923037.db2.gz UDZUZLXRINFHSK-IUCAKERBSA-N 0 0 301.255 2.360 10 30 DEEERN C=CCN(Cc1cc(C(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 ZINC000289356575 403924264 /nfs/dbraw/zinc/92/42/64/403924264.db2.gz MBYIDSKXIZCUKC-CYBMUJFWSA-N 0 0 312.435 2.147 10 30 DEEERN COc1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1Cl ZINC000362471873 403958303 /nfs/dbraw/zinc/95/83/03/403958303.db2.gz IKUCODWHTGDHLC-CYBMUJFWSA-N 0 0 319.792 2.161 10 30 DEEERN C=CCNC(=O)CN1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000347964429 403982179 /nfs/dbraw/zinc/98/21/79/403982179.db2.gz CZIKQIRVYOOCNT-UHFFFAOYSA-N 0 0 323.387 2.044 10 30 DEEERN C#CCOc1ccc(CN2CCO[C@]3(CCCOC3)C2)cc1 ZINC000289552516 403984742 /nfs/dbraw/zinc/98/47/42/403984742.db2.gz RFWFQLUSTSSVGO-GOSISDBHSA-N 0 0 301.386 2.080 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCc1ccc(C(=O)OC)cc1 ZINC000362803143 403989106 /nfs/dbraw/zinc/98/91/06/403989106.db2.gz XOPFHHGURKZHOJ-HOTGVXAUSA-N 0 0 317.385 2.113 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](CC)c1c(C)noc1C ZINC000348002454 404003820 /nfs/dbraw/zinc/00/38/20/404003820.db2.gz GGYBPHHJXLDWMJ-CYBMUJFWSA-N 0 0 307.394 2.283 10 30 DEEERN C=CCN(c1ncc(C(=O)N2CCOCC2)cc1Cl)C1CC1 ZINC000362634601 403976172 /nfs/dbraw/zinc/97/61/72/403976172.db2.gz GRRIAIDYIPZGSA-UHFFFAOYSA-N 0 0 321.808 2.362 10 30 DEEERN C=CCOC[C@@H]1NC(=O)N([C@@H](C)CCc2ccc(C)o2)C1=O ZINC000348612315 404084149 /nfs/dbraw/zinc/08/41/49/404084149.db2.gz PPOPAKWBUHRHKA-FZMZJTMJSA-N 0 0 306.362 2.032 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@H](C)c1ncc(C)s1 ZINC000344301654 404041543 /nfs/dbraw/zinc/04/15/43/404041543.db2.gz UDQXRQCLOPATKT-NSHDSACASA-N 0 0 309.435 2.096 10 30 DEEERN N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1Cn1cncn1 ZINC000369351710 404060383 /nfs/dbraw/zinc/06/03/83/404060383.db2.gz ANYUEAGDTDYVBT-LLVKDONJSA-N 0 0 322.294 2.233 10 30 DEEERN N#C[C@@H]1CN(C(=O)C[C@H]2CCc3ccccc3C2)CCN1C1CC1 ZINC000363079519 404063689 /nfs/dbraw/zinc/06/36/89/404063689.db2.gz BATHKENEFZGCHI-HNAYVOBHSA-N 0 0 323.440 2.380 10 30 DEEERN CCCc1noc(CN2CC[C@H](n3ccc(NC(C)=O)n3)C2)n1 ZINC000328638457 404122368 /nfs/dbraw/zinc/12/23/68/404122368.db2.gz WKHPDHOQQPLFTI-LBPRGKRZSA-N 0 0 318.381 2.274 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@H](C)C1CCOCC1)CCC2 ZINC000328647804 404122728 /nfs/dbraw/zinc/12/27/28/404122728.db2.gz HSPUJHOGCICSCA-HIFRSBDPSA-N 0 0 320.437 2.388 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)C[C@@H]1CCCOC1)CCC2 ZINC000328657648 404124857 /nfs/dbraw/zinc/12/48/57/404124857.db2.gz PLINBANZBMWKNI-GJZGRUSLSA-N 0 0 320.437 2.341 10 30 DEEERN C[C@@H](CNC(=O)c1cn2ccnc2s1)N1CCCCC1=O ZINC000328763517 404145793 /nfs/dbraw/zinc/14/57/93/404145793.db2.gz OHQGIGUYJZGJCX-JTQLQIEISA-N 0 0 306.391 2.101 10 30 DEEERN Cn1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCO[C@H]2C2CC2)cn1 ZINC000328854636 404161175 /nfs/dbraw/zinc/16/11/75/404161175.db2.gz WPAIHLFLUHJVSD-ILXRZTDVSA-N 0 0 304.394 2.039 10 30 DEEERN CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCO[C@H]2C)no1 ZINC000328941756 404179068 /nfs/dbraw/zinc/17/90/68/404179068.db2.gz LEEWDPMVJUGEND-TUAOUCFPSA-N 0 0 308.382 2.421 10 30 DEEERN C=CCN(C(=O)C1CCOCC1)c1nc(C(=O)OCC)cs1 ZINC000355076807 404201613 /nfs/dbraw/zinc/20/16/13/404201613.db2.gz NBHOYSQBECEDJK-UHFFFAOYSA-N 0 0 324.402 2.265 10 30 DEEERN O=C(CN1CCc2cncnc2C1)Nc1nc2c(s1)CCC2 ZINC000329141881 404243237 /nfs/dbraw/zinc/24/32/37/404243237.db2.gz KSVQVNOMZYEFRN-UHFFFAOYSA-N 0 0 315.402 2.068 10 30 DEEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000329536736 404367848 /nfs/dbraw/zinc/36/78/48/404367848.db2.gz LXUIJICUPVERPV-RBSFLKMASA-N 0 0 304.394 2.418 10 30 DEEERN C=C[C@@H](C)NC(=O)c1cccc(-c2nnc(CCOC)o2)c1 ZINC000352443162 404374143 /nfs/dbraw/zinc/37/41/43/404374143.db2.gz FIQKRSXGSBSPAD-LLVKDONJSA-N 0 0 301.346 2.230 10 30 DEEERN C#CCC1(C(=O)NCCc2nnc3n2CCCC3)CCCCC1 ZINC000364386777 404376855 /nfs/dbraw/zinc/37/68/55/404376855.db2.gz RTKYIGOXKBCKPD-UHFFFAOYSA-N 0 0 314.433 2.247 10 30 DEEERN O=C(C[C@@H]1CCOc2ccccc21)N[C@H]1CCCS(=O)(=O)C1 ZINC000329566646 404378127 /nfs/dbraw/zinc/37/81/27/404378127.db2.gz OWDBPMVPHHALFC-STQMWFEESA-N 0 0 323.414 2.477 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H](O)C2(CC2)C1 ZINC000364433105 404391790 /nfs/dbraw/zinc/39/17/90/404391790.db2.gz FZZUJEJRGHCVAY-DZGCQCFKSA-N 0 0 320.458 2.108 10 30 DEEERN C=C[C@](C)(CC)C(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C ZINC000291486867 404398982 /nfs/dbraw/zinc/39/89/82/404398982.db2.gz GMAFCLMOZCVMOF-MRXNPFEDSA-N 0 0 303.362 2.123 10 30 DEEERN C=CCOCCCc1nc(-c2c3n(c(C)cc2=O)CCC3)no1 ZINC000350498903 404403969 /nfs/dbraw/zinc/40/39/69/404403969.db2.gz GUEFFDIOZIXGPZ-UHFFFAOYSA-N 0 0 315.373 2.288 10 30 DEEERN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000329652716 404409791 /nfs/dbraw/zinc/40/97/91/404409791.db2.gz LFEXUQQILWRQHX-HPEDKQMDSA-N 0 0 318.373 2.101 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)C(=O)NCCCCSC ZINC000356320389 404447147 /nfs/dbraw/zinc/44/71/47/404447147.db2.gz DVIKAEDCBKISPZ-UHFFFAOYSA-N 0 0 320.458 2.461 10 30 DEEERN C=CC[C@H](CO)CNC(=O)Cc1coc2cc(OC)ccc12 ZINC000342219237 404449139 /nfs/dbraw/zinc/44/91/39/404449139.db2.gz YGGKLZXALQEZQH-LBPRGKRZSA-N 0 0 303.358 2.285 10 30 DEEERN C=C(C)CCSCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000350780767 404466375 /nfs/dbraw/zinc/46/63/75/404466375.db2.gz JQLWYTVYGXSBRU-UHFFFAOYSA-N 0 0 320.462 2.215 10 30 DEEERN C[C@](O)(CNC(=O)N[C@@H]1CCO[C@H]1C1CC1)C1CCCCC1 ZINC000330024054 404530456 /nfs/dbraw/zinc/53/04/56/404530456.db2.gz ABBZYECEPZSGCJ-VYDXJSESSA-N 0 0 310.438 2.389 10 30 DEEERN C[C@@H]1CCOCCN1C(=O)Nc1ncccc1OCCCC#N ZINC000364889047 404541657 /nfs/dbraw/zinc/54/16/57/404541657.db2.gz PDCGVWWBBAESCY-CYBMUJFWSA-N 0 0 318.377 2.407 10 30 DEEERN C=CCC(CC=C)C(=O)N1CCn2c(nnc2-c2cccnc2)C1 ZINC000364875911 404541884 /nfs/dbraw/zinc/54/18/84/404541884.db2.gz CTGIJWQMQXEDIU-UHFFFAOYSA-N 0 0 323.400 2.451 10 30 DEEERN Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CC[C@@H](C)O3)C2)nn1 ZINC000330071031 404544337 /nfs/dbraw/zinc/54/43/37/404544337.db2.gz XSOCSTPAMPGREB-RDBSUJKOSA-N 0 0 304.394 2.278 10 30 DEEERN C=CCCO[C@H](C)c1nc(Cc2nc(C3CC3)nn2C)no1 ZINC000351373036 404564331 /nfs/dbraw/zinc/56/43/31/404564331.db2.gz SZWSIESETLDHNY-SNVBAGLBSA-N 0 0 303.366 2.320 10 30 DEEERN O=C(N[C@@H]1CCc2c1cccc2O)N1CCO[C@@H](C2CC2)C1 ZINC000330177215 404574099 /nfs/dbraw/zinc/57/40/99/404574099.db2.gz KNIVIXRZQMXCRL-GDBMZVCRSA-N 0 0 302.374 2.404 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000345262483 404646676 /nfs/dbraw/zinc/64/66/76/404646676.db2.gz GRBJXBODVWEUEB-UHFFFAOYSA-N 0 0 318.308 2.296 10 30 DEEERN C#CCCCNC(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000365428417 404657238 /nfs/dbraw/zinc/65/72/38/404657238.db2.gz MWLUINWVJCBLBI-DLBZAZTESA-N 0 0 308.385 2.441 10 30 DEEERN Cc1cnc([C@@H](C)NC(=O)N2CCc3cncnc3C2)s1 ZINC000330327000 404627068 /nfs/dbraw/zinc/62/70/68/404627068.db2.gz VIPLXSUOAZOYEM-SNVBAGLBSA-N 0 0 303.391 2.275 10 30 DEEERN C=C(Cl)CNC(=O)N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000374014297 404669813 /nfs/dbraw/zinc/66/98/13/404669813.db2.gz MZRUVOGVEHUHQW-DYEKYZERSA-N 0 0 302.802 2.107 10 30 DEEERN C=CCN1CC[C@H](N2CCc3ccc(C(C)=O)cc3CC2)C1=O ZINC000374173634 404700135 /nfs/dbraw/zinc/70/01/35/404700135.db2.gz HWDYVCPJEFUGHB-SFHVURJKSA-N 0 0 312.413 2.077 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357962560 404749729 /nfs/dbraw/zinc/74/97/29/404749729.db2.gz DDIRQTDCZHQRAV-UHFFFAOYSA-N 0 0 306.347 2.218 10 30 DEEERN C=CC[C@H](C)NC(=O)C(=O)Nc1csc(-c2ccccn2)n1 ZINC000358384502 404760875 /nfs/dbraw/zinc/76/08/75/404760875.db2.gz YRMWTGMRDKTYHF-JTQLQIEISA-N 0 0 316.386 2.224 10 30 DEEERN C=CC[C@@H](CC)NC(=O)N1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366175449 404767348 /nfs/dbraw/zinc/76/73/48/404767348.db2.gz ZQJJIBBJLSOMCD-ZIAGYGMSSA-N 0 0 316.467 2.340 10 30 DEEERN CC1(C#N)CCN(C(=O)CNC(=O)CC2CCCCC2)CC1 ZINC000356966879 404722718 /nfs/dbraw/zinc/72/27/18/404722718.db2.gz AGSACHKLIIZWJP-UHFFFAOYSA-N 0 0 305.422 2.225 10 30 DEEERN Cc1cc(F)cc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 ZINC000366587607 404819703 /nfs/dbraw/zinc/81/97/03/404819703.db2.gz ORCQABLOZIKYMX-OAHLLOKOSA-N 0 0 302.353 2.338 10 30 DEEERN CCC(=O)N[C@@H]1CCCN(C(=O)NCC(C)(C)CCC#N)C1 ZINC000358740308 404774361 /nfs/dbraw/zinc/77/43/61/404774361.db2.gz UHRXGGBXPPAXOX-CYBMUJFWSA-N 0 0 308.426 2.017 10 30 DEEERN N#CCc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000366988714 404890254 /nfs/dbraw/zinc/89/02/54/404890254.db2.gz TZEPGGZETRQZFV-KRWDZBQOSA-N 0 0 319.364 2.288 10 30 DEEERN C#CCCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000367013700 404897943 /nfs/dbraw/zinc/89/79/43/404897943.db2.gz QAAPWAHVBDMCQN-LSDHHAIUSA-N 0 0 305.809 2.408 10 30 DEEERN C=C(C)[C@H](CC(=O)NCC1(O)Cc2ccccc2C1)OCC ZINC000366738521 404840183 /nfs/dbraw/zinc/84/01/83/404840183.db2.gz IIWPZDKAZQDHLE-INIZCTEOSA-N 0 0 303.402 2.004 10 30 DEEERN C=CCCCNC(=O)c1cc(F)c(N2CCOCC2)c(F)c1 ZINC000451294425 404943536 /nfs/dbraw/zinc/94/35/36/404943536.db2.gz JUHYVIPSEAQYBK-UHFFFAOYSA-N 0 0 310.344 2.497 10 30 DEEERN C[C@@H]1C[C@@H]1N1C[C@@H](Nc2nc3c(cc2C#N)CCCC3)CC1=O ZINC000408051629 405098335 /nfs/dbraw/zinc/09/83/35/405098335.db2.gz PZKOIDMNOHDCQT-WPGHFRTFSA-N 0 0 310.401 2.253 10 30 DEEERN C=CCN1CC[C@H](N(C)Cc2cncc(C(F)(F)F)c2)C1=O ZINC000361393519 405052609 /nfs/dbraw/zinc/05/26/09/405052609.db2.gz XRRAXFDHPLTNQV-ZDUSSCGKSA-N 0 0 313.323 2.319 10 30 DEEERN C=CCC[C@@H](NC(=O)c1nc2c(s1)CCC2)C(=O)OCC ZINC000416248602 405073996 /nfs/dbraw/zinc/07/39/96/405073996.db2.gz SMTLHMDXRYTQOG-LLVKDONJSA-N 0 0 308.403 2.260 10 30 DEEERN N#C[C@H]1CN(C(=O)[C@@H]2CSc3ccccc32)CCN1C1CC1 ZINC000361477663 405090238 /nfs/dbraw/zinc/09/02/38/405090238.db2.gz JNRJOOHOGCWBRH-DZGCQCFKSA-N 0 0 313.426 2.075 10 30 DEEERN C=CCC1(C(=O)NCCC(=O)NC2CCCCC2)CCOCC1 ZINC000424604303 405127778 /nfs/dbraw/zinc/12/77/78/405127778.db2.gz YMHLPSTVUPILQU-UHFFFAOYSA-N 0 0 322.449 2.315 10 30 DEEERN C=CCC1(CNS(=O)(=O)c2c(Cl)cnn2C)CCCC1 ZINC000451955386 405106168 /nfs/dbraw/zinc/10/61/68/405106168.db2.gz DIIPFWCHXYLYFU-UHFFFAOYSA-N 0 0 317.842 2.488 10 30 DEEERN C=CCC1(C(=O)NCc2cccc(C(=O)NC)c2)CCOCC1 ZINC000424567630 405117858 /nfs/dbraw/zinc/11/78/58/405117858.db2.gz AHOPBIIPCFGRBB-UHFFFAOYSA-N 0 0 316.401 2.035 10 30 DEEERN N#Cc1c(Cl)cccc1S(=O)(=O)N1CCCCCO1 ZINC000408287203 405163012 /nfs/dbraw/zinc/16/30/12/405163012.db2.gz PJGMOWHNJRQTRA-UHFFFAOYSA-N 0 0 300.767 2.318 10 30 DEEERN C=CCC1(C(=O)NCc2ccc(OC)c(O)c2)CCOCC1 ZINC000424741475 405163899 /nfs/dbraw/zinc/16/38/99/405163899.db2.gz QTLZWHPZISXRAN-UHFFFAOYSA-N 0 0 305.374 2.390 10 30 DEEERN C=CCC1(C(=O)N[C@@H](C)c2nnc(C(C)C)[nH]2)CCOCC1 ZINC000424743847 405165383 /nfs/dbraw/zinc/16/53/83/405165383.db2.gz HXTARNQBRKKIJT-LBPRGKRZSA-N 0 0 306.410 2.478 10 30 DEEERN N#Cc1cccc([C@@H]2CN(C(=O)c3cccc(O)c3)CCO2)c1 ZINC000367867638 405179352 /nfs/dbraw/zinc/17/93/52/405179352.db2.gz CREQJNPSLJKPPC-KRWDZBQOSA-N 0 0 308.337 2.478 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](C)C[C@@H]3C)cc2C1=O ZINC000354403291 405196966 /nfs/dbraw/zinc/19/69/66/405196966.db2.gz OSMBUGTWQZOMNR-NEPJUHHUSA-N 0 0 312.369 2.339 10 30 DEEERN C=CCC[C@H](NC(=O)C1(CC=C)CCOCC1)C(=O)OCC ZINC000424860909 405199404 /nfs/dbraw/zinc/19/94/04/405199404.db2.gz CMZLBBOKDCEOPX-AWEZNQCLSA-N 0 0 309.406 2.373 10 30 DEEERN C=CCC1(C(=O)Nc2ccc(N(C)C(C)=O)nc2)CCOCC1 ZINC000424874931 405203177 /nfs/dbraw/zinc/20/31/77/405203177.db2.gz CGLGVKCCDXICLA-UHFFFAOYSA-N 0 0 317.389 2.376 10 30 DEEERN C=CCCO[C@H](C)C(=O)NCC(=O)C1CCC(F)(F)CC1 ZINC000424882627 405205418 /nfs/dbraw/zinc/20/54/18/405205418.db2.gz WEPAQHCUUQHONR-LLVKDONJSA-N 0 0 303.349 2.478 10 30 DEEERN C=C[C@](C)(O)CC(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC000424942544 405218221 /nfs/dbraw/zinc/21/82/21/405218221.db2.gz AJBWEXROYRTZIT-DYVFJYSZSA-N 0 0 313.438 2.434 10 30 DEEERN Cc1cc(C#N)nc(N[C@H](CO)Cc2c[nH]c3ccccc23)n1 ZINC000439171331 405269102 /nfs/dbraw/zinc/26/91/02/405269102.db2.gz SFXAHHGBYLSJAQ-AWEZNQCLSA-N 0 0 307.357 2.154 10 30 DEEERN C=CCC[C@@H](NC(=O)c1cc2nc[nH]c2cc1F)C(=O)OCC ZINC000425312680 405272122 /nfs/dbraw/zinc/27/21/22/405272122.db2.gz KHTZNSYRCYPIIH-GFCCVEGCSA-N 0 0 319.336 2.330 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1ccc(OC)cc1 ZINC000425380011 405283376 /nfs/dbraw/zinc/28/33/76/405283376.db2.gz DNZDHNLOMDYVJV-HOCLYGCPSA-N 0 0 304.390 2.128 10 30 DEEERN C=CCC1(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CCOCC1 ZINC000425401208 405285225 /nfs/dbraw/zinc/28/52/25/405285225.db2.gz PSPVXEUIMGDURV-UHFFFAOYSA-N 0 0 323.414 2.402 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000437838736 405222302 /nfs/dbraw/zinc/22/23/02/405222302.db2.gz LQNYUANJOHGHFL-CRAIPNDOSA-N 0 0 322.449 2.076 10 30 DEEERN CC#CCCNC(=O)C(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000440735492 405324769 /nfs/dbraw/zinc/32/47/69/405324769.db2.gz JMLAHYZZHMMACT-UHFFFAOYSA-N 0 0 318.421 2.131 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1(COC)CCCCC1 ZINC000425549508 405301892 /nfs/dbraw/zinc/30/18/92/405301892.db2.gz LBIFNBHFHLCNFS-GJZGRUSLSA-N 0 0 310.438 2.474 10 30 DEEERN C=CC(C)(C)CNC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000455389017 405404104 /nfs/dbraw/zinc/40/41/04/405404104.db2.gz SGYAEIADDMMZLL-AWEZNQCLSA-N 0 0 316.405 2.088 10 30 DEEERN C=CCC1(CNC(=O)N2CCN(C3CC3)C(=O)C2)CCCC1 ZINC000455485987 405416613 /nfs/dbraw/zinc/41/66/13/405416613.db2.gz YEJWKLRFQCJHGL-UHFFFAOYSA-N 0 0 305.422 2.139 10 30 DEEERN COc1ccc(OCCN(C)C(=O)c2ccc(C#N)n2C)cc1 ZINC000448587263 405423968 /nfs/dbraw/zinc/42/39/68/405423968.db2.gz IKOXEEBUSFKABB-UHFFFAOYSA-N 0 0 313.357 2.056 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCc1ccc(C)n(C)c1=O ZINC000633194407 405495033 /nfs/dbraw/zinc/49/50/33/405495033.db2.gz YTFHVXBERLFFSE-UHFFFAOYSA-N 0 0 305.422 2.485 10 30 DEEERN C=CC(C)(C)C(=O)N[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000448862945 405456781 /nfs/dbraw/zinc/45/67/81/405456781.db2.gz XCVLVOCNGYLRAP-LBPRGKRZSA-N 0 0 302.374 2.129 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000448915355 405463498 /nfs/dbraw/zinc/46/34/98/405463498.db2.gz WZXSDGDYWSPHDF-XQLPTFJDSA-N 0 0 311.447 2.091 10 30 DEEERN COCc1cc(CNC(=O)c2ccc(C#N)n2C)ccc1F ZINC000448934363 405466342 /nfs/dbraw/zinc/46/63/42/405466342.db2.gz VFWWLIGXMPULCI-UHFFFAOYSA-N 0 0 301.321 2.112 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1CCc2nc(COC)ncc2C1 ZINC000633154765 405468750 /nfs/dbraw/zinc/46/87/50/405468750.db2.gz XFJFRDFXSSJJPH-ZDUSSCGKSA-N 0 0 318.421 2.436 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000633202133 405498992 /nfs/dbraw/zinc/49/89/92/405498992.db2.gz QUPOGAIPQUWHBL-UHFFFAOYSA-N 0 0 316.467 2.245 10 30 DEEERN C=CCn1c(N2CCC[C@H](CO)[C@H]2C)nnc1[C@]1(C)CCCO1 ZINC000556900431 405558112 /nfs/dbraw/zinc/55/81/12/405558112.db2.gz BKYBBMUJCMBOLR-CPUCHLNUSA-N 0 0 320.437 2.087 10 30 DEEERN C=CCC[C@H](CO)NC(=O)Cc1ccc(Br)s1 ZINC000456778572 405563171 /nfs/dbraw/zinc/56/31/71/405563171.db2.gz OTYKCKWWEOAQTC-SECBINFHSA-N 0 0 318.236 2.496 10 30 DEEERN C=CCC(C)(C)CNC(=O)N1CCc2nc(COC)ncc2C1 ZINC000633262559 405535882 /nfs/dbraw/zinc/53/58/82/405535882.db2.gz QIFRMFKFIWFSEL-UHFFFAOYSA-N 0 0 318.421 2.293 10 30 DEEERN CC#CCN(C)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000458674888 405536650 /nfs/dbraw/zinc/53/66/50/405536650.db2.gz FQOMIHBHPKVCKI-UHFFFAOYSA-N 0 0 319.836 2.363 10 30 DEEERN C=C(CC)CNC(=O)N1CCc2nnn(C3CC(C)C3)c2C1 ZINC000633286874 405549601 /nfs/dbraw/zinc/54/96/01/405549601.db2.gz SNBDSLXCHKYXQL-UHFFFAOYSA-N 0 0 303.410 2.283 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N[C@H]1C[C@H]2CCCCN2C1=O ZINC000633295438 405556137 /nfs/dbraw/zinc/55/61/37/405556137.db2.gz OKSXSXBLFNOKGB-KGLIPLIRSA-N 0 0 307.438 2.431 10 30 DEEERN C=CC(C)(C)CCNC(=O)NC[C@@H](n1cncn1)C(F)(F)F ZINC000633374545 405604833 /nfs/dbraw/zinc/60/48/33/405604833.db2.gz FLWHWCUIZBLKSC-SNVBAGLBSA-N 0 0 319.331 2.283 10 30 DEEERN C=CCOc1ccc(CNC(=O)NCCc2cn(C)cn2)cc1 ZINC000458764025 405577229 /nfs/dbraw/zinc/57/72/29/405577229.db2.gz IXKXFQZHKDYJNY-UHFFFAOYSA-N 0 0 314.389 2.027 10 30 DEEERN N#Cc1ccccc1CN1CCCc2c(OCC(N)=O)cccc21 ZINC000449533997 405602108 /nfs/dbraw/zinc/60/21/08/405602108.db2.gz KKCIZHPAJAXRNO-UHFFFAOYSA-N 0 0 321.380 2.375 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCOC1CCCCCC1 ZINC000558355466 405650831 /nfs/dbraw/zinc/65/08/31/405650831.db2.gz UIQUINCEAWKNDR-UHFFFAOYSA-N 0 0 310.438 2.267 10 30 DEEERN C=C(C)CN(CC)C(=O)NCc1nn(C)cc1Br ZINC000459012707 405693283 /nfs/dbraw/zinc/69/32/83/405693283.db2.gz IISCYKQTFUDRSN-UHFFFAOYSA-N 0 0 315.215 2.290 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)c1ccc(C2CCOCC2)cc1 ZINC000633591100 405731718 /nfs/dbraw/zinc/73/17/18/405731718.db2.gz YQKDRTNPSXZIGO-KRWDZBQOSA-N 0 0 301.386 2.085 10 30 DEEERN C=CCCOCCCCC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000494891518 405779171 /nfs/dbraw/zinc/77/91/71/405779171.db2.gz JSHWSRZZGBXROB-UHFFFAOYSA-N 0 0 304.390 2.435 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NCCOCc1ccc(Cl)cc1 ZINC000450218717 405785565 /nfs/dbraw/zinc/78/55/65/405785565.db2.gz WBGOKTVKOCGXME-UHFFFAOYSA-N 0 0 317.776 2.497 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCCO[C@@H]1CC(C)C ZINC000583930972 405790031 /nfs/dbraw/zinc/79/00/31/405790031.db2.gz KGCZBMVPDAGWHD-YHUYYLMFSA-N 0 0 310.438 2.470 10 30 DEEERN C=CCN(CCOC)c1ncnc2c(OC)cc(OC)cc21 ZINC000432846498 405820322 /nfs/dbraw/zinc/82/03/22/405820322.db2.gz OJDGCOYBSRCCIR-UHFFFAOYSA-N 0 0 303.362 2.286 10 30 DEEERN C=CCCO[C@H](C)C(=O)NCc1cc(=O)[nH]c(C2CCC2)n1 ZINC000636319746 405886877 /nfs/dbraw/zinc/88/68/77/405886877.db2.gz XVIWGQJDLKGVSZ-LLVKDONJSA-N 0 0 305.378 2.047 10 30 DEEERN C=CCC[C@H](CO)NC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000457542307 405890458 /nfs/dbraw/zinc/89/04/58/405890458.db2.gz UVDWFXWSNDYBCB-CHWSQXEVSA-N 0 0 322.405 2.391 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)c1nn2c(c1C)OCCC2 ZINC000450490950 405926575 /nfs/dbraw/zinc/92/65/75/405926575.db2.gz VNULSPWFCWLIHX-UHFFFAOYSA-N 0 0 315.373 2.438 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H]2CCOC3(CCSCC3)C2)C1=O ZINC000630979087 405949956 /nfs/dbraw/zinc/94/99/56/405949956.db2.gz PGLMZPXGKMZSOW-OLZOCXBDSA-N 0 0 324.446 2.318 10 30 DEEERN C=CCCc1ccccc1NC(=O)N[C@@H](CO)c1ccnn1C ZINC000459552674 405952681 /nfs/dbraw/zinc/95/26/81/405952681.db2.gz WVQXJHHRFMPHQZ-HNNXBMFYSA-N 0 0 314.389 2.394 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H](OC)c1ccccc1 ZINC000636503996 405992058 /nfs/dbraw/zinc/99/20/58/405992058.db2.gz XSXNQJNJRNMUKW-OAHLLOKOSA-N 0 0 318.417 2.209 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)CCOCC2CC2)cc1 ZINC000433863865 405994130 /nfs/dbraw/zinc/99/41/30/405994130.db2.gz SXUKSSVCXOGCCA-UHFFFAOYSA-N 0 0 302.374 2.358 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCC[C@H]1CCO[C@@H](C)C1 ZINC000636811337 406088567 /nfs/dbraw/zinc/08/85/67/406088567.db2.gz UDPQEGJEYRWDRL-GJZGRUSLSA-N 0 0 324.465 2.416 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000636718855 406061913 /nfs/dbraw/zinc/06/19/13/406061913.db2.gz GKNPFFPANKKCNW-CYBMUJFWSA-N 0 0 318.421 2.012 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000564830815 406066263 /nfs/dbraw/zinc/06/62/63/406066263.db2.gz HSWVBXKGLSKYPB-ZFWWWQNUSA-N 0 0 317.389 2.101 10 30 DEEERN C=CCC1(C(=O)N2CCO[C@@H](COC(C)C)C2)CCOCC1 ZINC000564872599 406067425 /nfs/dbraw/zinc/06/74/25/406067425.db2.gz NVSVVBUQTCZEGA-OAHLLOKOSA-N 0 0 311.422 2.012 10 30 DEEERN C=CCN(CCOC)S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632271130 406073662 /nfs/dbraw/zinc/07/36/62/406073662.db2.gz KHVIRSRTBFHVMO-UHFFFAOYSA-N 0 0 320.798 2.029 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](CC)[C@H]1CCCO1 ZINC000636864005 406104969 /nfs/dbraw/zinc/10/49/69/406104969.db2.gz DDSVQUPQKWLMHI-ZIAGYGMSSA-N 0 0 310.438 2.169 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccnc1C(F)(F)F ZINC000567694969 406121133 /nfs/dbraw/zinc/12/11/33/406121133.db2.gz KRKFOFAWUHOAHL-ONGXEEELSA-N 0 0 300.280 2.421 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](F)C3)cc2C1=O ZINC000517165305 406123366 /nfs/dbraw/zinc/12/33/66/406123366.db2.gz FIZDFWKBTLPDEH-LBPRGKRZSA-N 0 0 316.332 2.043 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ncccc1C(F)(F)F ZINC000517230862 406124890 /nfs/dbraw/zinc/12/48/90/406124890.db2.gz KPWYZPKYZXIIHA-ONGXEEELSA-N 0 0 300.280 2.421 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000632563588 406183507 /nfs/dbraw/zinc/18/35/07/406183507.db2.gz XAOKKBYYOFMMNC-HUUCEWRRSA-N 0 0 323.481 2.036 10 30 DEEERN C=CCCC(C)(C)CNS(=O)(=O)CC1(OC)CCOCC1 ZINC000632641148 406209555 /nfs/dbraw/zinc/20/95/55/406209555.db2.gz UFJIHYDONJSWQX-UHFFFAOYSA-N 0 0 319.467 2.094 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1C[C@H](OC)C12CCC2 ZINC000568624917 406219878 /nfs/dbraw/zinc/21/98/78/406219878.db2.gz XGGMVUJOQRNDHL-AJNGGQMLSA-N 0 0 308.422 2.177 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCCC[C@@H]1C[C@@H](C)O ZINC000569018642 406223089 /nfs/dbraw/zinc/22/30/89/406223089.db2.gz CBCXTWMSURAKFY-HUUCEWRRSA-N 0 0 310.438 2.001 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@H](CC)C1CCOCC1 ZINC000569258573 406230133 /nfs/dbraw/zinc/23/01/33/406230133.db2.gz IKPDVKLXJVCDQB-OAHLLOKOSA-N 0 0 310.438 2.170 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000519706556 406239020 /nfs/dbraw/zinc/23/90/20/406239020.db2.gz KAIGCRVEXNOZMV-ZNMIVQPWSA-N 0 0 322.449 2.169 10 30 DEEERN C=CC(C)(C)CCNC(=O)NC[C@@H](O)COc1ccccc1 ZINC000637319505 406256340 /nfs/dbraw/zinc/25/63/40/406256340.db2.gz CVLGZPXOAIIOPW-CQSZACIVSA-N 0 0 306.406 2.328 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000637321958 406257448 /nfs/dbraw/zinc/25/74/48/406257448.db2.gz MOLJSMTXPXJGFO-INIZCTEOSA-N 0 0 323.481 2.485 10 30 DEEERN C=CC(C)(C)CCNC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000637324689 406258832 /nfs/dbraw/zinc/25/88/32/406258832.db2.gz XWIKRQFCBHZBDH-HUUCEWRRSA-N 0 0 324.465 2.456 10 30 DEEERN CC1(C)CCC(NC(=O)Cc2cccc(C#N)c2)(C(N)=O)CC1 ZINC000536274729 406254534 /nfs/dbraw/zinc/25/45/34/406254534.db2.gz HMDNGOVPCPDZJE-UHFFFAOYSA-N 0 0 313.401 2.041 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC000637384277 406289682 /nfs/dbraw/zinc/28/96/82/406289682.db2.gz RCLRNJDURTUJBC-XJKSGUPXSA-N 0 0 303.406 2.407 10 30 DEEERN C=CCn1c(S[C@@H]2CCCNC2=O)nnc1-c1ccco1 ZINC000488590179 406334410 /nfs/dbraw/zinc/33/44/10/406334410.db2.gz ARKYDPKJSSGKNM-LLVKDONJSA-N 0 0 304.375 2.095 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N1CCC(OCC2CC2)CC1 ZINC000521271124 406341311 /nfs/dbraw/zinc/34/13/11/406341311.db2.gz CNSPCMLVPGIALI-UHFFFAOYSA-N 0 0 322.449 2.267 10 30 DEEERN C=CCNC(=O)CSc1nccn1Cc1ccc(OC)cc1 ZINC000488782456 406347731 /nfs/dbraw/zinc/34/77/31/406347731.db2.gz LDHRXPFZJVUYPV-UHFFFAOYSA-N 0 0 317.414 2.334 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)Nc1ccnn1CC1CCC1 ZINC000635095822 406422194 /nfs/dbraw/zinc/42/21/94/406422194.db2.gz KFPPWZHHBXMTKA-UHFFFAOYSA-N 0 0 304.394 2.046 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCSC[C@@H]1CCO ZINC000637622027 406369772 /nfs/dbraw/zinc/36/97/72/406369772.db2.gz WUTDOYLIAGLDNS-ZDUSSCGKSA-N 0 0 300.468 2.488 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000637648606 406378100 /nfs/dbraw/zinc/37/81/00/406378100.db2.gz JQOSUTIOYWQKAJ-WOSRLPQWSA-N 0 0 322.405 2.426 10 30 DEEERN N#Cc1c(C(F)(F)F)ccc(C(F)(F)F)c1S(N)(=O)=O ZINC000575341011 406807098 /nfs/dbraw/zinc/80/70/98/406807098.db2.gz JKKHMXHDKJBOMX-UHFFFAOYSA-N 0 0 318.198 2.243 10 30 DEEERN CCOc1c(I)ccc(C#N)c1[N+](=O)[O-] ZINC000575670835 406817195 /nfs/dbraw/zinc/81/71/95/406817195.db2.gz NDBULXOSJCNWJM-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN CCOc1cc(C#N)cc(I)c1[N+](=O)[O-] ZINC000575671737 406817263 /nfs/dbraw/zinc/81/72/63/406817263.db2.gz WGYRHSOQXIUJFD-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN C=CCn1c([C@H](C)CC)nnc1N1CCC[C@]2(CNC(=O)C2)C1 ZINC000554610830 406817534 /nfs/dbraw/zinc/81/75/34/406817534.db2.gz SYGAVVHKOQKPMB-DYVFJYSZSA-N 0 0 317.437 2.084 10 30 DEEERN COC(=O)Cc1cc(OC(F)(F)F)cc(C#N)c1[N+](=O)[O-] ZINC000575395749 406808829 /nfs/dbraw/zinc/80/88/29/406808829.db2.gz OWTAHHJRDZTXLE-UHFFFAOYSA-N 0 0 304.180 2.081 10 30 DEEERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1CCC(CC#N)CC1 ZINC000554748082 406823403 /nfs/dbraw/zinc/82/34/03/406823403.db2.gz NJCBHETWSZNLMT-AWEZNQCLSA-N 0 0 301.394 2.133 10 30 DEEERN CCOc1cc(I)cc(N)c1CC#N ZINC000575717426 406823553 /nfs/dbraw/zinc/82/35/53/406823553.db2.gz GSULYALUOWMQPB-UHFFFAOYSA-N 0 0 302.115 2.338 10 30 DEEERN CCCS(=O)(=O)c1ccc([C@](C)(C#N)C(=O)OCC)cc1 ZINC000128954931 196007568 /nfs/dbraw/zinc/00/75/68/196007568.db2.gz QZWLALPXKSWVDD-HNNXBMFYSA-N 0 0 309.387 2.215 10 30 DEEERN C#CC[C@H](CC)NS(=O)(=O)c1cc(C)c(Cl)c(N)c1 ZINC000129156365 196025063 /nfs/dbraw/zinc/02/50/63/196025063.db2.gz MPDAKYUMPCDPCI-JTQLQIEISA-N 0 0 300.811 2.311 10 30 DEEERN CCn1c(C)nnc1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000129272555 196034761 /nfs/dbraw/zinc/03/47/61/196034761.db2.gz TUCPOQIVINNGQT-UHFFFAOYSA-N 0 0 307.361 2.093 10 30 DEEERN C=CCN(CCC)c1ncncc1I ZINC000131917074 196209805 /nfs/dbraw/zinc/20/98/05/196209805.db2.gz RVVLAPCGUWHJRI-UHFFFAOYSA-N 0 0 303.147 2.484 10 30 DEEERN C=CCC(CC=C)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000132368724 196249669 /nfs/dbraw/zinc/24/96/69/196249669.db2.gz VMZPEASDQLJAHI-KRWDZBQOSA-N 0 0 306.450 2.468 10 30 DEEERN C=CCN(C(C)C)S(=O)(=O)c1cc(CO)ccc1Cl ZINC000132300121 196243053 /nfs/dbraw/zinc/24/30/53/196243053.db2.gz ZTKMLXSDSASXBV-UHFFFAOYSA-N 0 0 303.811 2.417 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)CCCCOC ZINC000133908090 196345284 /nfs/dbraw/zinc/34/52/84/196345284.db2.gz JGPRDJJPQYUKAU-UHFFFAOYSA-N 0 0 322.430 2.303 10 30 DEEERN N#Cc1cc(NC[C@@H]2CCCS2(=O)=O)nc2ccccc12 ZINC000134027854 196355283 /nfs/dbraw/zinc/35/52/83/196355283.db2.gz ACFFXSAZPRZJMP-LBPRGKRZSA-N 0 0 301.371 2.096 10 30 DEEERN CN(CCC#N)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000134211999 196371082 /nfs/dbraw/zinc/37/10/82/196371082.db2.gz IMXLRSHSXKUOQX-UHFFFAOYSA-N 0 0 312.123 2.343 10 30 DEEERN N#CCCCCNC(=O)NCC[C@@H]1C(=O)Nc2ccccc21 ZINC000171414827 224749229 /nfs/dbraw/zinc/74/92/29/224749229.db2.gz AQYHDVYSVXVGLC-ZDUSSCGKSA-N 0 0 300.362 2.105 10 30 DEEERN N#C[C@@H]1CN(C(=O)CC2CCC(C(F)(F)F)CC2)CCO1 ZINC000180675439 224896620 /nfs/dbraw/zinc/89/66/20/224896620.db2.gz AOOZROXUUTUZDX-HTAVTVPLSA-N 0 0 304.312 2.496 10 30 DEEERN Cc1cc(=O)n(C)cc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187912104 225003694 /nfs/dbraw/zinc/00/36/94/225003694.db2.gz XGWXIKFMDYDYRI-UHFFFAOYSA-N 0 0 307.353 2.236 10 30 DEEERN N#Cc1ccc(CNC(=O)C(=O)Nc2ccc3cc[nH]c3c2)cc1 ZINC000192559197 225138122 /nfs/dbraw/zinc/13/81/22/225138122.db2.gz GQENAYWRAYAHHN-UHFFFAOYSA-N 0 0 318.336 2.294 10 30 DEEERN C[C@@](C#N)(NC(=O)CN1CCCC[C@H]1c1nccs1)C1CC1 ZINC000249861707 225245466 /nfs/dbraw/zinc/24/54/66/225245466.db2.gz GGEAZLOVKFOVAP-BBRMVZONSA-N 0 0 318.446 2.479 10 30 DEEERN N#CC1(NC(=O)c2c[nH]c(=O)c(Br)c2)CCCC1 ZINC000266054369 225335980 /nfs/dbraw/zinc/33/59/80/225335980.db2.gz BDPZZBKXQQPAPJ-UHFFFAOYSA-N 0 0 310.151 2.116 10 30 DEEERN Cc1c([C@H]2OCC[C@@H]2NC(=O)Nc2cnccc2C)cnn1C ZINC000328628308 225775153 /nfs/dbraw/zinc/77/51/53/225775153.db2.gz NOCKNQZFVWXDBX-DZGCQCFKSA-N 0 0 315.377 2.288 10 30 DEEERN O=C(NC[C@H]1CCCO1)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328630293 225777148 /nfs/dbraw/zinc/77/71/48/225777148.db2.gz PSZSOWFGAPFIOV-BZUAXINKSA-N 0 0 304.390 2.447 10 30 DEEERN Cc1ccc(Cl)cc1CNC(=O)N[C@@H]1CC[S@](=O)C1 ZINC000329795586 225930611 /nfs/dbraw/zinc/93/06/11/225930611.db2.gz DCENKCYVYYRBRK-BLVKFPJESA-N 0 0 300.811 2.173 10 30 DEEERN Cc1cccc2c1OCC[C@H]2NC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000329918167 225945918 /nfs/dbraw/zinc/94/59/18/225945918.db2.gz FVJDEHPSTORHTN-CFVMTHIKSA-N 0 0 304.390 2.483 10 30 DEEERN N#C[C@H]1COCCN1Cc1noc(-c2cccc(Cl)c2)n1 ZINC000363155797 226911865 /nfs/dbraw/zinc/91/18/65/226911865.db2.gz WRIUKEFCLCLCTQ-LBPRGKRZSA-N 0 0 304.737 2.114 10 30 DEEERN COCc1ccccc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369221958 227027444 /nfs/dbraw/zinc/02/74/44/227027444.db2.gz YYZKUSUSMSIUQH-OAHLLOKOSA-N 0 0 314.389 2.037 10 30 DEEERN C#C[C@@H](C)NC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000291148937 222174611 /nfs/dbraw/zinc/17/46/11/222174611.db2.gz DXKVLPGKKZYNRO-LLVKDONJSA-N 0 0 301.321 2.344 10 30 DEEERN CC#CCNC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000291217267 222230926 /nfs/dbraw/zinc/23/09/26/222230926.db2.gz JUCSAARRSDHNNB-UHFFFAOYSA-N 0 0 301.321 2.346 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](n2cccn2)C1 ZINC000291256963 222263036 /nfs/dbraw/zinc/26/30/36/222263036.db2.gz OHVXWKAZYHECGK-ZWKOTPCHSA-N 0 0 322.412 2.474 10 30 DEEERN Cc1ccc(F)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000377671559 227193974 /nfs/dbraw/zinc/19/39/74/227193974.db2.gz LEONLOFQKTXLFK-CQSZACIVSA-N 0 0 302.353 2.338 10 30 DEEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]1CC(C)(C)C ZINC000407974794 227224216 /nfs/dbraw/zinc/22/42/16/227224216.db2.gz GHWJXPCIGXBJFF-CHWSQXEVSA-N 0 0 301.456 2.366 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000408334224 227232400 /nfs/dbraw/zinc/23/24/00/227232400.db2.gz MQASRTBFUOAFEY-MNOVXSKESA-N 0 0 301.371 2.153 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000408340217 227232717 /nfs/dbraw/zinc/23/27/17/227232717.db2.gz UJHBKOROXHNEHI-IONNQARKSA-N 0 0 304.293 2.074 10 30 DEEERN CCc1nsc(N2CCN(c3ccc(C)c(C#N)n3)CC2)n1 ZINC000302661870 230336843 /nfs/dbraw/zinc/33/68/43/230336843.db2.gz PEOAYOQPJJIEKN-UHFFFAOYSA-N 0 0 314.418 2.002 10 30 DEEERN Cc1ccc(NCc2cccc(CS(C)(=O)=O)c2)nc1C#N ZINC000302682981 230350323 /nfs/dbraw/zinc/35/03/23/230350323.db2.gz XNXGYFPOQKUGEL-UHFFFAOYSA-N 0 0 315.398 2.418 10 30 DEEERN N#Cc1ccc(OCC(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cc1 ZINC000527209929 421365994 /nfs/dbraw/zinc/36/59/94/421365994.db2.gz UKHLHFSXMXFGEH-AWEZNQCLSA-N 0 0 312.329 2.150 10 30 DEEERN C[C@H](NC(=O)Cc1cccc(C#N)c1)[C@H](O)Cc1ccccc1 ZINC000532637462 269876230 /nfs/dbraw/zinc/87/62/30/269876230.db2.gz HYNADTHCXQKMPY-KBXCAEBGSA-N 0 0 308.381 2.209 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1n[nH]c2cc(F)ccc21 ZINC000613904309 422489706 /nfs/dbraw/zinc/48/97/06/422489706.db2.gz AUZQSFNJEVSJSD-CYBMUJFWSA-N 0 0 304.325 2.111 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2cccc(-n3ccnn3)c2)c1 ZINC000532635414 269996629 /nfs/dbraw/zinc/99/66/29/269996629.db2.gz AZPQWLWQNQABHD-UHFFFAOYSA-N 0 0 303.325 2.320 10 30 DEEERN C=CCNc1nnc(SCc2nnc(C3CCC3)n2C)s1 ZINC000360947052 424840316 /nfs/dbraw/zinc/84/03/16/424840316.db2.gz RHUHDWOFNGTKRV-UHFFFAOYSA-N 0 0 322.463 2.824 10 30 DEEERN C=CCNC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000154491914 424861820 /nfs/dbraw/zinc/86/18/20/424861820.db2.gz IXOVSQVTTYHUDH-UHFFFAOYSA-N 0 0 321.384 2.124 10 30 DEEERN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000175194048 424863304 /nfs/dbraw/zinc/86/33/04/424863304.db2.gz SYPDXOSGZQQDCP-NWDGAFQWSA-N 0 0 315.417 2.443 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1ccc2nnc(-c3ccccc3)n2n1 ZINC000583020797 424982597 /nfs/dbraw/zinc/98/25/97/424982597.db2.gz ATVSZNJNVQLTNZ-GJZGRUSLSA-N 0 0 321.384 2.794 10 30 DEEERN N#Cc1cncc(N2CCC[C@@H](c3ncc4n3CCCC4)C2)n1 ZINC000516860466 268315485 /nfs/dbraw/zinc/31/54/85/268315485.db2.gz ZTWBWDASSVXVRV-CYBMUJFWSA-N 0 0 308.389 2.265 10 30 DEEERN Cn1nc([C@@H]2CCCO2)cc1NC(=O)c1sccc1C#N ZINC000517846549 269393918 /nfs/dbraw/zinc/39/39/18/269393918.db2.gz WGDCKRVOUWCZPL-NSHDSACASA-N 0 0 302.359 2.457 10 30 DEEERN C[C@H](C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1)n1cnc(C#N)n1 ZINC000524092233 269470973 /nfs/dbraw/zinc/47/09/73/269470973.db2.gz IWZUGVWRLUGIAC-FVQBIDKESA-N 0 0 323.400 2.238 10 30 DEEERN CC(C)n1ncc2c1C[C@@H](NC(=O)c1ccc3nncn3c1)CC2 ZINC000329526084 275792893 /nfs/dbraw/zinc/79/28/93/275792893.db2.gz RGTQFVBTGQBALK-AWEZNQCLSA-N 0 0 324.388 2.369 10 30 DEEERN CC1(C)CN(CC#Cc2cccc(Cl)c2)CCS1(=O)=O ZINC000156837473 275843679 /nfs/dbraw/zinc/84/36/79/275843679.db2.gz IGWBVIBQVBHOIG-UHFFFAOYSA-N 0 0 311.834 2.201 10 30 DEEERN CCOC(=O)c1ccc(C(=O)N2CCC(C)(C#N)CC2)nc1C ZINC000356972717 276297952 /nfs/dbraw/zinc/29/79/52/276297952.db2.gz KYOSFRCECDFKBX-UHFFFAOYSA-N 0 0 315.373 2.333 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000277625946 276774601 /nfs/dbraw/zinc/77/46/01/276774601.db2.gz IXYFJXGFKYGSRU-UHFFFAOYSA-N 0 0 319.408 2.260 10 30 DEEERN CC(C)(C)[C@H]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C[C@H]1O ZINC000273180153 277258873 /nfs/dbraw/zinc/25/88/73/277258873.db2.gz AXQYYVNBMBCXLI-NWDGAFQWSA-N 0 0 304.350 2.095 10 30 DEEERN C=C(C)Cn1c(C(C)C)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000358807137 277784480 /nfs/dbraw/zinc/78/44/80/277784480.db2.gz OXSOUDGBYDXPDK-STQMWFEESA-N 0 0 305.426 2.068 10 30 DEEERN C=CCN(C)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000428288082 277841325 /nfs/dbraw/zinc/84/13/25/277841325.db2.gz OVZXIASPTQTASQ-KFWWJZLASA-N 0 0 300.406 2.259 10 30 DEEERN CC1(C#N)CCN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000374861577 278170690 /nfs/dbraw/zinc/17/06/90/278170690.db2.gz ZZMFGGVHNUVBMR-MCIONIFRSA-N 0 0 303.406 2.279 10 30 DEEERN CC(=O)c1ccc(C#N)cc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC000443942479 278244606 /nfs/dbraw/zinc/24/46/06/278244606.db2.gz CHIDJWNOFLRLSO-AWEZNQCLSA-N 0 0 320.414 2.164 10 30 DEEERN Cc1nnc([C@@H]2CCCCN2C(=O)c2ccc(C#N)c(C)n2)[nH]1 ZINC000407982329 279105829 /nfs/dbraw/zinc/10/58/29/279105829.db2.gz XUXZUCPOFFPPQQ-AWEZNQCLSA-N 0 0 310.361 2.056 10 30 DEEERN Cc1cc(=O)[nH]c(NN=Cc2ccc(Br)cc2)n1 ZINC000033377604 280301062 /nfs/dbraw/zinc/30/10/62/280301062.db2.gz JIQZFZJPOQASTQ-AUWJEWJLSA-N 0 0 307.151 2.287 10 30 DEEERN CC1(C)CN(C(=O)C2(C#N)CCOCC2)CC2(CCCC2)O1 ZINC000189376389 281152414 /nfs/dbraw/zinc/15/24/14/281152414.db2.gz NRWDBBQZNJZJEJ-UHFFFAOYSA-N 0 0 306.406 2.257 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000126750378 281840398 /nfs/dbraw/zinc/84/03/98/281840398.db2.gz SMNWKNTWMMGLAF-JHJVBQTASA-N 0 0 302.374 2.398 10 30 DEEERN CNC(=O)Cc1nc(CNc2ccc(F)c(C#N)c2)cs1 ZINC000133775427 282024593 /nfs/dbraw/zinc/02/45/93/282024593.db2.gz RSZNZDAIWLFQEK-UHFFFAOYSA-N 0 0 304.350 2.054 10 30 DEEERN C[C@H](NC(=O)N1CCC(C#N)CC1)c1nnc2n1CCCCC2 ZINC000356360732 289821019 /nfs/dbraw/zinc/82/10/19/289821019.db2.gz GYOKTKABJCVZTE-LBPRGKRZSA-N 0 0 316.409 2.011 10 30 DEEERN C[C@H]1CC(NC(=O)N2CCC[C@H]2Cn2ccnn2)C[C@H](C)C1 ZINC000329086744 290317814 /nfs/dbraw/zinc/31/78/14/290317814.db2.gz UUXZFRSBHYPAIC-NFAWXSAZSA-N 0 0 305.426 2.481 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCSC[C@H]1c1nccs1 ZINC000450962102 294147262 /nfs/dbraw/zinc/14/72/62/294147262.db2.gz VTMGXUKBKMCCEM-LBPRGKRZSA-N 0 0 318.427 2.284 10 30 DEEERN Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCC(C#N)CC1 ZINC000328714676 294173855 /nfs/dbraw/zinc/17/38/55/294173855.db2.gz OEDLAYBRAMGFJK-KBPBESRZSA-N 0 0 317.437 2.474 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@@]3(CC=CCC3)C2)cn1 ZINC000114499673 294937462 /nfs/dbraw/zinc/93/74/62/294937462.db2.gz RMQNAYBCTUGHOC-INIZCTEOSA-N 0 0 317.414 2.464 10 30 DEEERN O=C(N[C@H]1CCOC2(CCCC2)C1)N1CCc2cncnc2C1 ZINC000330217937 295387184 /nfs/dbraw/zinc/38/71/84/295387184.db2.gz IYIIKFQBGWZVFG-AWEZNQCLSA-N 0 0 316.405 2.241 10 30 DEEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C1(C#N)CCOCC1 ZINC000408114041 302757089 /nfs/dbraw/zinc/75/70/89/302757089.db2.gz VPRSGTSUFXEIOO-AWEZNQCLSA-N 0 0 316.405 2.021 10 30 DEEERN N#C[C@@H]1CN(CC(=O)NCC2CC2)C[C@]12C(=O)Nc1ccccc12 ZINC000328682205 303161820 /nfs/dbraw/zinc/16/18/20/303161820.db2.gz OPGJCUQCZPPULD-ACJLOTCBSA-N 0 0 324.384 2.348 10 30 DEEERN N#C[C@H]1CN(C(=O)C(C2CCC2)C2CCC2)CCN1C1CC1 ZINC000375812541 303168667 /nfs/dbraw/zinc/16/86/67/303168667.db2.gz YBBOXVUCAWGSRY-INIZCTEOSA-N 0 0 301.434 2.402 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000570655437 332792613 /nfs/dbraw/zinc/79/26/13/332792613.db2.gz COFOYUKYGLXMQU-OLZOCXBDSA-N 0 0 320.780 2.130 10 30 DEEERN C=C(C)CN(C)C(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000180471666 331570185 /nfs/dbraw/zinc/57/01/85/331570185.db2.gz GCNOSCRIOBPNSB-MRXNPFEDSA-N 0 0 304.390 2.297 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)nc(C(F)(F)F)n1 ZINC000584048409 331652256 /nfs/dbraw/zinc/65/22/56/331652256.db2.gz PAMSPTIZJOCVGY-ONGXEEELSA-N 0 0 315.295 2.125 10 30 DEEERN C=CCC1(C(=O)NCc2ccc(C(=O)OC)cc2)CCOCC1 ZINC000564652238 332020612 /nfs/dbraw/zinc/02/06/12/332020612.db2.gz VXTRVXPSRPTYPU-UHFFFAOYSA-N 0 0 317.385 2.462 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1C[C@@H](OCC)C12CCC2 ZINC000575118620 332494473 /nfs/dbraw/zinc/49/44/73/332494473.db2.gz DRBSVTVCWNFUBS-ZQDZILKHSA-N 0 0 308.422 2.224 10 30 DEEERN C=CCC1(C(=O)N2CC[C@H](Cc3cnn(C)c3)C2)CCOCC1 ZINC000580315807 333103590 /nfs/dbraw/zinc/10/35/90/333103590.db2.gz LWAXKMLPUZLFGK-OAHLLOKOSA-N 0 0 317.433 2.184 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N(Cc1cccnc1)C1CC1 ZINC000572662804 333142244 /nfs/dbraw/zinc/14/22/44/333142244.db2.gz VNKPCCLAWLJCLB-UHFFFAOYSA-N 0 0 315.417 2.435 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000185708282 333370608 /nfs/dbraw/zinc/37/06/08/333370608.db2.gz CWLVIJLCONEFNT-CYBMUJFWSA-N 0 0 305.765 2.193 10 30 DEEERN C#Cc1ccc(CNC(=O)NCCC(=O)OC(C)(C)C)cc1 ZINC000296289172 335143092 /nfs/dbraw/zinc/14/30/92/335143092.db2.gz FAWNKWWBIRNRHT-UHFFFAOYSA-N 0 0 302.374 2.199 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](O)C1CCOCC1 ZINC000571052710 333494269 /nfs/dbraw/zinc/49/42/69/333494269.db2.gz FCDRBINBZWWSPG-IRXDYDNUSA-N 0 0 303.402 2.078 10 30 DEEERN C#Cc1ccc(CNC(=O)N[C@H]2CC[C@@H](C(=O)OCC)C2)cc1 ZINC000297042346 335148645 /nfs/dbraw/zinc/14/86/45/335148645.db2.gz VCIAKFIASCUIHW-CVEARBPZSA-N 0 0 314.385 2.199 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N(C)C1CC(C)(C)C1 ZINC000563378806 333598998 /nfs/dbraw/zinc/59/89/98/333598998.db2.gz JJRNOYCRQYLETK-UHFFFAOYSA-N 0 0 315.425 2.193 10 30 DEEERN C=CCn1c(CC)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000571503909 333806176 /nfs/dbraw/zinc/80/61/76/333806176.db2.gz HERQJFBWKYOLTN-CYBMUJFWSA-N 0 0 316.409 2.177 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCOc1ccccc1F ZINC000425382393 334861772 /nfs/dbraw/zinc/86/17/72/334861772.db2.gz IKYRCVYSUAAGTE-JSGCOSHPSA-N 0 0 308.353 2.095 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N(C)Cc1ccccc1 ZINC000520973675 334898893 /nfs/dbraw/zinc/89/88/93/334898893.db2.gz NRCRMQNUXMRKQZ-UHFFFAOYSA-N 0 0 323.404 2.204 10 30 DEEERN C=C(C)C[C@H](C)c1nc(CCN(C(C)C)S(C)(=O)=O)no1 ZINC000346144452 335381425 /nfs/dbraw/zinc/38/14/25/335381425.db2.gz FNOXHFUHMPURHF-LBPRGKRZSA-N 0 0 315.439 2.352 10 30 DEEERN N#Cc1cncc(S(=O)(=O)N2CCC[C@]3(CC=CCC3)C2)c1 ZINC000582234103 336374204 /nfs/dbraw/zinc/37/42/04/336374204.db2.gz SMFWJVBWJMYFAS-MRXNPFEDSA-N 0 0 317.414 2.464 10 30 DEEERN C=CCC1(C(=O)Nc2nnc(CCC(=O)OC)s2)CCC1 ZINC000359487290 336674850 /nfs/dbraw/zinc/67/48/50/336674850.db2.gz WAZJUXVFUHCSCF-UHFFFAOYSA-N 0 0 309.391 2.329 10 30 DEEERN C=CCOC[C@@H](NC(=O)C[C@@H]1CCCC(C)(C)C1)C(=O)OC ZINC000360724692 336720421 /nfs/dbraw/zinc/72/04/21/336720421.db2.gz DQCPQQAHSAHEHK-UONOGXRCSA-N 0 0 311.422 2.453 10 30 DEEERN CC1CC(C#N)(C(=O)NCc2ccn(Cc3ccccc3)n2)C1 ZINC000390353369 336937330 /nfs/dbraw/zinc/93/73/30/336937330.db2.gz CISSQQNPRVLPHY-UHFFFAOYSA-N 0 0 308.385 2.487 10 30 DEEERN COC[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000177293483 337154697 /nfs/dbraw/zinc/15/46/97/337154697.db2.gz MYALSCQMFRISJX-HNNXBMFYSA-N 0 0 313.319 2.404 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(S(C)(=O)=O)ccc1C ZINC000583004342 337227722 /nfs/dbraw/zinc/22/77/22/337227722.db2.gz XDYAVDFPFVECIU-UKRRQHHQSA-N 0 0 323.414 2.318 10 30 DEEERN COc1nc(C)c(Br)cc1C(=O)N[C@H](C#N)C1CC1 ZINC000186930509 337260539 /nfs/dbraw/zinc/26/05/39/337260539.db2.gz UTZTVOFPTCSQJX-LLVKDONJSA-N 0 0 324.178 2.193 10 30 DEEERN C=CCN1C[C@H]2CON[C@@]2(c2cccc(Br)c2)C1 ZINC000584641336 337380052 /nfs/dbraw/zinc/38/00/52/337380052.db2.gz QSOHAMAQPPMRRN-GXTWGEPZSA-N 0 0 309.207 2.297 10 30 DEEERN C=CCNC(=O)CNC(=O)[C@H](CCc1ccccc1)C(C)C ZINC000498159929 337463810 /nfs/dbraw/zinc/46/38/10/337463810.db2.gz XFIMAYBJTYBCTH-MRXNPFEDSA-N 0 0 302.418 2.310 10 30 DEEERN C=CCn1c(CC(C)C)nnc1N1CC[C@H](OC(F)F)C1 ZINC000514972706 337975323 /nfs/dbraw/zinc/97/53/23/337975323.db2.gz QCLMDFFLDYJNQU-NSHDSACASA-N 0 0 300.353 2.481 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CC2(CCC2)C[C@H]1C ZINC000515713008 337996418 /nfs/dbraw/zinc/99/64/18/337996418.db2.gz ZZPXYQGIXOTCTM-ZIAGYGMSSA-N 0 0 318.421 2.321 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@]1(CO)CC(C)C ZINC000515835906 337999527 /nfs/dbraw/zinc/99/95/27/337999527.db2.gz PAZKPRPFSMYLMS-YQQAZPJKSA-N 0 0 310.438 2.160 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)n([C@H]2CCOC2)c1C ZINC000529503071 340758168 /nfs/dbraw/zinc/75/81/68/340758168.db2.gz SQLGMMMYVFNYHS-ZOBUZTSGSA-N 0 0 318.417 2.387 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@]23C[C@H]2COC3(C)C)cc1 ZINC000529796619 340769603 /nfs/dbraw/zinc/76/96/03/340769603.db2.gz VTSMCZVTRLLJJV-KBXCAEBGSA-N 0 0 301.386 2.478 10 30 DEEERN CC[C@@H](CC#N)NC(=O)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000128508041 340891463 /nfs/dbraw/zinc/89/14/63/340891463.db2.gz ZDLMVGNNPKUVIQ-YPMHNXCESA-N 0 0 303.362 2.141 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000545929725 341146910 /nfs/dbraw/zinc/14/69/10/341146910.db2.gz PYJHLVPZVIEXIE-PIGZYNQJSA-N 0 0 315.373 2.282 10 30 DEEERN C=CCCCN(C)C(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000076490385 341208349 /nfs/dbraw/zinc/20/83/49/341208349.db2.gz LPSPVXJQFHSUKS-UHFFFAOYSA-N 0 0 302.374 2.375 10 30 DEEERN CC#CCNC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000135386614 341238337 /nfs/dbraw/zinc/23/83/37/341238337.db2.gz MPCALFPZMJRKSY-ZDUSSCGKSA-N 0 0 321.371 2.252 10 30 DEEERN CCc1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCOC1 ZINC000549649424 341299916 /nfs/dbraw/zinc/29/99/16/341299916.db2.gz GHZTZOAYGPLRAW-CYBMUJFWSA-N 0 0 303.410 2.007 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1nnc2ccccn21)C(C)C ZINC000556134931 341495365 /nfs/dbraw/zinc/49/53/65/341495365.db2.gz LNWAEKCAGKVOLR-IPYPFGDCSA-N 0 0 314.389 2.134 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000565641312 341533714 /nfs/dbraw/zinc/53/37/14/341533714.db2.gz WNLKNSDOGPTJTA-RTXFEEFZSA-N 0 0 304.346 2.119 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(NC(C)=O)ccc1F ZINC000566119474 341548145 /nfs/dbraw/zinc/54/81/45/341548145.db2.gz PFVRPXXSPCEOFI-NHYWBVRUSA-N 0 0 306.337 2.105 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N(CCn1ccnc1)Cc1cnn(C)c1 ZINC000567478212 341609286 /nfs/dbraw/zinc/60/92/86/341609286.db2.gz JOGAXWILFFPDRF-OAHLLOKOSA-N 0 0 315.421 2.248 10 30 DEEERN C=C(C)Cn1c(N2CCO[C@H](CC)C2)nnc1[C@]1(C)CCCO1 ZINC000567688915 341627809 /nfs/dbraw/zinc/62/78/09/341627809.db2.gz OTYYNZGAPQYONO-PBHICJAKSA-N 0 0 320.437 2.495 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](c1ccccc1F)[C@H](C)O ZINC000568016631 341645697 /nfs/dbraw/zinc/64/56/97/341645697.db2.gz KMLPYGZZTDMLSF-BJKJVOPESA-N 0 0 322.380 2.280 10 30 DEEERN C=CCCCCCNC(=O)c1ccc(S(=O)(=O)NCC)cc1 ZINC000568223355 341659483 /nfs/dbraw/zinc/65/94/83/341659483.db2.gz NCQLFNDCZNORTI-UHFFFAOYSA-N 0 0 324.446 2.461 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000574606685 341763655 /nfs/dbraw/zinc/76/36/55/341763655.db2.gz VBZQGMROTVCCMA-XQLPTFJDSA-N 0 0 315.369 2.021 10 30 DEEERN Cn1cc(C(C)(C)NC(=O)NCC2CCC(C#N)CC2)cn1 ZINC000576693956 341858782 /nfs/dbraw/zinc/85/87/82/341858782.db2.gz WTYXNCRYHVVCPB-UHFFFAOYSA-N 0 0 303.410 2.284 10 30 DEEERN C[C@H](NC(=O)[C@]1(C)CCCNC1=O)c1nnc2n1CCCC2 ZINC000330327835 534280632 /nfs/dbraw/zinc/28/06/32/534280632.db2.gz VRKKSBFNQSEKNU-ZUZCIYMTSA-N 0 0 305.382 2.389 10 30 DEEERN Cc1noc(C)c1C(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000328650165 534317207 /nfs/dbraw/zinc/31/72/07/534317207.db2.gz VITMKAXDRNAYRI-RYUDHWBXSA-N 0 0 319.340 2.003 10 30 DEEERN Cc1nsc(NC(=O)N[C@@H]2C[C@H](C)n3ccnc32)c1C#N ZINC000333802664 518194440 /nfs/dbraw/zinc/19/44/40/518194440.db2.gz DPODHVXOHVFRCJ-OIBJUYFYSA-N 0 0 302.363 2.347 10 30 DEEERN C=CC(C)(C)CNC(=O)NCc1cc(OC)c(O)c(OC)c1 ZINC000458039650 534511553 /nfs/dbraw/zinc/51/15/53/534511553.db2.gz ACKUEUOQMKXJLX-UHFFFAOYSA-N 0 0 308.378 2.421 10 30 DEEERN C=CC(C)(C)CNC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000458988898 534511089 /nfs/dbraw/zinc/51/10/89/534511089.db2.gz OKSYYKJOIOTIRQ-KGLIPLIRSA-N 0 0 310.438 2.066 10 30 DEEERN Cc1nc([C@@H](C)NC(=O)NCc2nnc(C3CC3)o2)cs1 ZINC000329426793 534536351 /nfs/dbraw/zinc/53/63/51/534536351.db2.gz JATDDYZRNLRXQT-SSDOTTSWSA-N 0 0 307.379 2.477 10 30 DEEERN COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCCOC1 ZINC000171683027 522040029 /nfs/dbraw/zinc/04/00/29/522040029.db2.gz NPIHVISLOKFZFC-AWEZNQCLSA-N 0 0 318.373 2.021 10 30 DEEERN Cn1c(C#N)ccc1C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000448641008 534678542 /nfs/dbraw/zinc/67/85/42/534678542.db2.gz HULRWRMYEVPYCD-UHFFFAOYSA-N 0 0 322.368 2.385 10 30 DEEERN C=CCCCCNC(=O)N[C@@H]1C[C@H](OCC)[C@H]1n1cccn1 ZINC000454809600 534685725 /nfs/dbraw/zinc/68/57/25/534685725.db2.gz JUFMVNHQGYIKDB-ILXRZTDVSA-N 0 0 306.410 2.257 10 30 DEEERN Cc1nc2n(n1)C[C@H](NC(=O)C[C@H]1CCCCNC1=O)CC2 ZINC000329446703 534702429 /nfs/dbraw/zinc/70/24/29/534702429.db2.gz NZXVTJZIWHISMN-VXGBXAGGSA-N 0 0 305.382 2.005 10 30 DEEERN CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccnc(C#N)c2)c1 ZINC000192558187 534759112 /nfs/dbraw/zinc/75/91/12/534759112.db2.gz YAEZVDNDXLMESG-NSHDSACASA-N 0 0 308.341 2.403 10 30 DEEERN C=CCC[C@@H](NC(=O)c1cccc(OC)c1F)C(=O)OCC ZINC000456600203 534792459 /nfs/dbraw/zinc/79/24/59/534792459.db2.gz DMIRITSUDJEPFQ-GFCCVEGCSA-N 0 0 309.337 2.462 10 30 DEEERN Cc1nc(C)c(CNC(=O)N2CCc3cncnc3C2)s1 ZINC000329770215 534881517 /nfs/dbraw/zinc/88/15/17/534881517.db2.gz IOGGGJYJQYPLID-UHFFFAOYSA-N 0 0 303.391 2.022 10 30 DEEERN CC(=O)c1cccc(CN2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000450749010 534888873 /nfs/dbraw/zinc/88/88/73/534888873.db2.gz WOSVJPBAIIXKFV-UHFFFAOYSA-N 0 0 320.396 2.478 10 30 DEEERN C=CCN(CCOC)C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000359213993 526288816 /nfs/dbraw/zinc/28/88/16/526288816.db2.gz PDLDUPQRFSXGRJ-UHFFFAOYSA-N 0 0 315.373 2.284 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000359595215 526290312 /nfs/dbraw/zinc/29/03/12/526290312.db2.gz GVWPAPAUMCOTEU-OAHLLOKOSA-N 0 0 320.437 2.165 10 30 DEEERN CC#CCCNC(=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000338659121 526319383 /nfs/dbraw/zinc/31/93/83/526319383.db2.gz LQKCBTNXDROLQK-SFHVURJKSA-N 0 0 300.402 2.136 10 30 DEEERN CNC(=O)Cc1noc(CN2CCC[C@H]2c2csc(C)n2)n1 ZINC000330245538 526398489 /nfs/dbraw/zinc/39/84/89/526398489.db2.gz XUHOGINXOKDSQF-NSHDSACASA-N 0 0 321.406 2.300 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](C)[C@H](C)C3)cc2C1=O ZINC000435935575 526409470 /nfs/dbraw/zinc/40/94/70/526409470.db2.gz CJOILDCETHLGNE-VXGBXAGGSA-N 0 0 312.369 2.197 10 30 DEEERN C=C(C)C(C)(C)C(=O)N[C@@H](Cc1ccccn1)C(=O)OCC ZINC000424809108 526434087 /nfs/dbraw/zinc/43/40/87/526434087.db2.gz VLWAIFOXYMKXCY-AWEZNQCLSA-N 0 0 304.390 2.274 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)c2c[nH]c3cc(F)ccc23)C1=O ZINC000337100520 526497186 /nfs/dbraw/zinc/49/71/86/526497186.db2.gz VLXSELKTJICYFB-HNNXBMFYSA-N 0 0 315.348 2.166 10 30 DEEERN C=C(C)CN(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCO1 ZINC000339016075 526508815 /nfs/dbraw/zinc/50/88/15/526508815.db2.gz FAJBDJXSKDMPOO-CYBMUJFWSA-N 0 0 301.394 2.465 10 30 DEEERN C=CCN1CC[C@H](Nc2ccc(F)cc2-c2cnn(C)c2)C1=O ZINC000373983834 526517223 /nfs/dbraw/zinc/51/72/23/526517223.db2.gz CJMFJGLBQOVBFC-INIZCTEOSA-N 0 0 314.364 2.425 10 30 DEEERN C=C(C)CN(CC)C(=O)CN[C@](C)(c1noc(C)n1)C1CC1 ZINC000433308601 526527040 /nfs/dbraw/zinc/52/70/40/526527040.db2.gz YKMNVDXESUYMAL-INIZCTEOSA-N 0 0 306.410 2.017 10 30 DEEERN N#Cc1c[nH]c(C(=O)N2CCC[C@@]2(CO)Cc2ccccc2)c1 ZINC000365024159 526534346 /nfs/dbraw/zinc/53/43/46/526534346.db2.gz BBPMGGRMTANQQY-SFHVURJKSA-N 0 0 309.369 2.096 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CCO[C@H](c2nccs2)C1 ZINC000195521711 526542418 /nfs/dbraw/zinc/54/24/18/526542418.db2.gz IMJSRPZSESSVCZ-KBPBESRZSA-N 0 0 323.462 2.330 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CCO[C@@H](c2nccs2)C1 ZINC000249867716 526543236 /nfs/dbraw/zinc/54/32/36/526543236.db2.gz IMJSRPZSESSVCZ-UONOGXRCSA-N 0 0 323.462 2.330 10 30 DEEERN C=CCNC(=O)Cc1noc(-c2ccc(OC)c(Cl)c2)n1 ZINC000340663142 526579595 /nfs/dbraw/zinc/57/95/95/526579595.db2.gz RSGVAYGBUPCPPU-UHFFFAOYSA-N 0 0 307.737 2.243 10 30 DEEERN C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000191700322 526661058 /nfs/dbraw/zinc/66/10/58/526661058.db2.gz QEIYCDOMXKRWGV-QWHCGFSZSA-N 0 0 302.374 2.356 10 30 DEEERN C=CCNc1ncc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)s1 ZINC000252647538 526683353 /nfs/dbraw/zinc/68/33/53/526683353.db2.gz YESDAFRNCKEFJZ-YUSALJHKSA-N 0 0 307.419 2.284 10 30 DEEERN C#CCCCCC(=O)N1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000194502170 526685516 /nfs/dbraw/zinc/68/55/16/526685516.db2.gz ZYJLFTZABNUUHN-CYBMUJFWSA-N 0 0 304.394 2.035 10 30 DEEERN C=C(C)CS(=O)(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000373821233 526687734 /nfs/dbraw/zinc/68/77/34/526687734.db2.gz AYSUICGQRKPCSU-NSHDSACASA-N 0 0 316.373 2.039 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCCN(C(=O)c2ccccn2)CC1 ZINC000373371402 526695292 /nfs/dbraw/zinc/69/52/92/526695292.db2.gz VKGASQWBRQQLQA-OAHLLOKOSA-N 0 0 315.417 2.358 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000368769608 526711824 /nfs/dbraw/zinc/71/18/24/526711824.db2.gz IEJSAZMXWMTYJF-ZDUSSCGKSA-N 0 0 314.389 2.494 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000341942745 526712184 /nfs/dbraw/zinc/71/21/84/526712184.db2.gz CJNJZYXXHYQPEE-JSGCOSHPSA-N 0 0 306.381 2.188 10 30 DEEERN C#CCCCS(=O)(=O)N1CCC[C@H]1Cc1ccccc1OC ZINC000367744011 526718657 /nfs/dbraw/zinc/71/86/57/526718657.db2.gz BJSBQLWYBYAUBV-INIZCTEOSA-N 0 0 321.442 2.445 10 30 DEEERN C=CCOCCCC(=O)N1CC(O)(c2ccc(Cl)cc2)C1 ZINC000375008801 526730036 /nfs/dbraw/zinc/73/00/36/526730036.db2.gz RODUKGMHEFBDON-UHFFFAOYSA-N 0 0 309.793 2.353 10 30 DEEERN C=CCOC[C@@H](NC(=O)C/C=C\c1ccc(C)cc1)C(=O)OC ZINC000435934253 526785381 /nfs/dbraw/zinc/78/53/81/526785381.db2.gz GYTLROZWCDBNLY-OGZRUICASA-N 0 0 317.385 2.259 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@](C)(O)CCC(C)C ZINC000438459814 526797739 /nfs/dbraw/zinc/79/77/39/526797739.db2.gz YYUQLJZBGIDOKZ-YQQAZPJKSA-N 0 0 312.454 2.454 10 30 DEEERN C=CCOC[C@H]1NC(=O)N([C@@H]2CCCc3c(F)cccc32)C1=O ZINC000419965586 526814896 /nfs/dbraw/zinc/81/48/96/526814896.db2.gz KBQCHMTVTDBWBD-HUUCEWRRSA-N 0 0 318.348 2.326 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)N1C[C@H](O)CC[C@H]1C ZINC000422130095 526827341 /nfs/dbraw/zinc/82/73/41/526827341.db2.gz UQEJDFYVVGACAG-CHWSQXEVSA-N 0 0 305.374 2.245 10 30 DEEERN C=CCOc1ccc(C(=O)N2C[C@@H](O)CC[C@H]2C)cc1OC ZINC000422021477 526843251 /nfs/dbraw/zinc/84/32/51/526843251.db2.gz YKBKPGIPIFPLAH-OCCSQVGLSA-N 0 0 305.374 2.245 10 30 DEEERN C=C(CNC(=O)NCC[C@H](O)C(F)(F)F)c1ccccc1 ZINC000358566845 526870955 /nfs/dbraw/zinc/87/09/55/526870955.db2.gz CHTOWCZGJZPWFA-LBPRGKRZSA-N 0 0 302.296 2.312 10 30 DEEERN C=C(Cl)CNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000374276575 526888603 /nfs/dbraw/zinc/88/86/03/526888603.db2.gz CECSHOFLILRJQK-OCCSQVGLSA-N 0 0 321.808 2.228 10 30 DEEERN C=CCOc1ccccc1CN1CC[C@H](C)S(=O)(=O)CC1 ZINC000432792730 526933557 /nfs/dbraw/zinc/93/35/57/526933557.db2.gz LYVWWSCKJPBKAO-AWEZNQCLSA-N 0 0 309.431 2.260 10 30 DEEERN C=CC1CCN(C(=O)N[C@H](C)c2noc(COCC)n2)CC1 ZINC000360436231 526968425 /nfs/dbraw/zinc/96/84/25/526968425.db2.gz HKWFJKSTVQQZED-LLVKDONJSA-N 0 0 308.382 2.275 10 30 DEEERN C=CC[C@@H](C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1)c1ccccc1 ZINC000342697371 527016708 /nfs/dbraw/zinc/01/67/08/527016708.db2.gz LPFAOTXRKAJDJD-UKRRQHHQSA-N 0 0 321.442 2.428 10 30 DEEERN C=CC[C@@H](C)NC(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000360467432 527023346 /nfs/dbraw/zinc/02/33/46/527023346.db2.gz FVTMDSDQIUVPEI-GDBMZVCRSA-N 0 0 304.390 2.440 10 30 DEEERN C=CC[C@@H](C)NC(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000441753701 527027444 /nfs/dbraw/zinc/02/74/44/527027444.db2.gz PFZPUMKQOWLAAJ-GFCCVEGCSA-N 0 0 314.393 2.419 10 30 DEEERN C=CC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000116852192 527029729 /nfs/dbraw/zinc/02/97/29/527029729.db2.gz QMKVDDHQTDRANS-GDBMZVCRSA-N 0 0 300.402 2.158 10 30 DEEERN C=CC[C@@H](CC)NC(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000341436172 527044878 /nfs/dbraw/zinc/04/48/78/527044878.db2.gz SDPRSEJHIWLNIP-DZGCQCFKSA-N 0 0 321.396 2.124 10 30 DEEERN C=CCC1(C(=O)Nc2ccc(CNC(N)=O)cc2)CCOCC1 ZINC000424614970 527060154 /nfs/dbraw/zinc/06/01/54/527060154.db2.gz JWXMYZJBXNETLE-UHFFFAOYSA-N 0 0 317.389 2.166 10 30 DEEERN C#CCO[C@@H](C)C(=O)O[C@@H]1CCc2cc(Br)cnc21 ZINC000295914857 527077613 /nfs/dbraw/zinc/07/76/13/527077613.db2.gz AVOYRPCEDIDLHC-JOYOIKCWSA-N 0 0 324.174 2.413 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCCCOc1ccc(C)cc1 ZINC000182970386 527089858 /nfs/dbraw/zinc/08/98/58/527089858.db2.gz QGKQSVCCEGVTBH-HNNXBMFYSA-N 0 0 306.406 2.390 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cc(-n2cccn2)ccc1C ZINC000191309098 527094002 /nfs/dbraw/zinc/09/40/02/527094002.db2.gz JPHFAWZLEGBTPW-ZDUSSCGKSA-N 0 0 300.362 2.239 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc(OC)c(C(C)C)c(OC)c1 ZINC000337049748 527098536 /nfs/dbraw/zinc/09/85/36/527098536.db2.gz INNIQXHYFUYOBK-ZDUSSCGKSA-N 0 0 307.390 2.494 10 30 DEEERN C=CCCCCNC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000373505013 527150100 /nfs/dbraw/zinc/15/01/00/527150100.db2.gz PUAOKMRDIYIVQK-MRXNPFEDSA-N 0 0 309.454 2.239 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](O)CC1 ZINC000298030010 527160074 /nfs/dbraw/zinc/16/00/74/527160074.db2.gz QQONDOQLLXEMER-IRXDYDNUSA-N 0 0 300.402 2.177 10 30 DEEERN C=CCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000368413489 527165867 /nfs/dbraw/zinc/16/58/67/527165867.db2.gz WITRJLXGCYLDGL-OAHLLOKOSA-N 0 0 316.401 2.469 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000341687728 527174293 /nfs/dbraw/zinc/17/42/93/527174293.db2.gz IBDZYSCKKVKGKM-RYUDHWBXSA-N 0 0 310.369 2.379 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1Cc2ccccc2OC[C@@H]1C ZINC000297791803 527175108 /nfs/dbraw/zinc/17/51/08/527175108.db2.gz OBDOLUAEKPMTTN-AWEZNQCLSA-N 0 0 316.401 2.221 10 30 DEEERN C=CCCCN(C)C(=O)NCc1ccccc1S(C)(=O)=O ZINC000413685188 527184732 /nfs/dbraw/zinc/18/47/32/527184732.db2.gz DYHHFUYTUFLDRC-UHFFFAOYSA-N 0 0 310.419 2.198 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cccc(CCCOC(C)=O)c1 ZINC000192430837 527202934 /nfs/dbraw/zinc/20/29/34/527202934.db2.gz IHHZUPROGDRLLN-MRXNPFEDSA-N 0 0 320.389 2.241 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 ZINC000288003399 527205299 /nfs/dbraw/zinc/20/52/99/527205299.db2.gz BKZYOTQUPWUSEE-BDJLRTHQSA-N 0 0 322.792 2.276 10 30 DEEERN C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000190238371 527218924 /nfs/dbraw/zinc/21/89/24/527218924.db2.gz CQLQXDFSPYENGV-SNVBAGLBSA-N 0 0 308.765 2.204 10 30 DEEERN C=CCCCNC(=O)Nc1ccc(OCCC(=O)NC)cc1 ZINC000447982420 527222823 /nfs/dbraw/zinc/22/28/23/527222823.db2.gz KPJZJUODHUHART-UHFFFAOYSA-N 0 0 305.378 2.289 10 30 DEEERN C=CCCCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000447811804 527237471 /nfs/dbraw/zinc/23/74/71/527237471.db2.gz PABWPXNAJBXKCP-UHFFFAOYSA-N 0 0 313.379 2.223 10 30 DEEERN C=CCc1cc(CNC(=O)C[C@@H](O)CC)cc(OC)c1OC ZINC000448832321 527239564 /nfs/dbraw/zinc/23/95/64/527239564.db2.gz CJLHFGMVZPOGFX-AWEZNQCLSA-N 0 0 307.390 2.210 10 30 DEEERN C=CCc1ccc(OCC(=O)N2C[C@H](O)CC[C@H]2C)c(OC)c1 ZINC000422015817 527250060 /nfs/dbraw/zinc/25/00/60/527250060.db2.gz NQFPWBAEWBTNOA-UKRRQHHQSA-N 0 0 319.401 2.174 10 30 DEEERN CC(=O)c1ccc(CN2CCN(c3ncccc3C#N)CC2)cc1 ZINC000296614762 527276613 /nfs/dbraw/zinc/27/66/13/527276613.db2.gz UJTPNNKYHXHYNN-UHFFFAOYSA-N 0 0 320.396 2.478 10 30 DEEERN C=CCn1c(C(C)C)nnc1N1CC[C@@](O)(C(F)(F)F)C1 ZINC000337830972 527292572 /nfs/dbraw/zinc/29/25/72/527292572.db2.gz ZBMNICDYYLISNH-LBPRGKRZSA-N 0 0 304.316 2.091 10 30 DEEERN C=CCCN(C)C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000346824246 527307844 /nfs/dbraw/zinc/30/78/44/527307844.db2.gz OPNPHQZCMHQOBH-UHFFFAOYSA-N 0 0 301.795 2.148 10 30 DEEERN C=CCCN(C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000342043931 527313976 /nfs/dbraw/zinc/31/39/76/527313976.db2.gz VCPVQGCOYFJMFU-NVXWUHKLSA-N 0 0 316.401 2.249 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@@H](COC)C1 ZINC000337857902 527320135 /nfs/dbraw/zinc/32/01/35/527320135.db2.gz MBJQUIQERLCTMF-CQSZACIVSA-N 0 0 316.405 2.315 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171235294 527372454 /nfs/dbraw/zinc/37/24/54/527372454.db2.gz YEBJNQYHHVOGBD-JSGCOSHPSA-N 0 0 307.394 2.140 10 30 DEEERN C=CCCO[C@H](C)C(=O)Nc1cc(C)nn1C1CCOCC1 ZINC000434327879 527403136 /nfs/dbraw/zinc/40/31/36/527403136.db2.gz RLLJFOXRKIZGMF-CYBMUJFWSA-N 0 0 307.394 2.463 10 30 DEEERN C=CCC[C@@H](C(=O)NC[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000249531049 527424047 /nfs/dbraw/zinc/42/40/47/527424047.db2.gz AZCWATBROSFEKZ-IAGOWNOFSA-N 0 0 302.418 2.183 10 30 DEEERN C#Cc1ccc(CNC(=O)N2CCc3ccccc3[C@H]2CO)cc1 ZINC000297525601 527435773 /nfs/dbraw/zinc/43/57/73/527435773.db2.gz HWIGGIJVFMMDBT-LJQANCHMSA-N 0 0 320.392 2.469 10 30 DEEERN C#Cc1ccc(CNC(=O)NCCCn2nc(C)cc2C)cc1 ZINC000297003080 527437585 /nfs/dbraw/zinc/43/75/85/527437585.db2.gz VCEHRAOHDRZTKW-UHFFFAOYSA-N 0 0 310.401 2.371 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC000424904723 527496757 /nfs/dbraw/zinc/49/67/57/527496757.db2.gz AGWDWFGGWVCEDQ-IMJJTQAJSA-N 0 0 301.386 2.487 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000337642284 527501624 /nfs/dbraw/zinc/50/16/24/527501624.db2.gz HCPRMXRANCMTGW-GOEBONIOSA-N 0 0 316.401 2.021 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000121900515 527586845 /nfs/dbraw/zinc/58/68/45/527586845.db2.gz DRAHIBKGKMNELO-LBPRGKRZSA-N 0 0 318.339 2.212 10 30 DEEERN C=CCN(CC=C)C(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C ZINC000448542002 527638430 /nfs/dbraw/zinc/63/84/30/527638430.db2.gz JXMYTOKHCBJCFK-UHFFFAOYSA-N 0 0 312.373 2.366 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)[C@@H](C)OCC3CC3)C2)n1 ZINC000328612351 528747165 /nfs/dbraw/zinc/74/71/65/528747165.db2.gz OMBWTTONRFKLBM-RISCZKNCSA-N 0 0 320.393 2.080 10 30 DEEERN CCOC(=O)C[C@@H](C)CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188944226 528854747 /nfs/dbraw/zinc/85/47/47/528854747.db2.gz ABCRGYVTDJFLOZ-CYBMUJFWSA-N 0 0 314.385 2.295 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCCOC1 ZINC000171680181 535163613 /nfs/dbraw/zinc/16/36/13/535163613.db2.gz NRLUSBCODXYSHP-HOCLYGCPSA-N 0 0 302.374 2.257 10 30 DEEERN CO[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[C@@H]1C ZINC000251439203 536734350 /nfs/dbraw/zinc/73/43/50/536734350.db2.gz BADVMXNBIZDBLQ-SWLSCSKDSA-N 0 0 312.373 2.465 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)OCCNc1ncccc1C#N ZINC000187592914 625418771 /nfs/dbraw/zinc/41/87/71/625418771.db2.gz VKKMZZIBEHXOQH-INIZCTEOSA-N 0 0 303.362 2.137 10 30 DEEERN COCCCNC(=O)C(C#N)=C(O)C=Cc1ccccc1Cl ZINC000255737490 625645297 /nfs/dbraw/zinc/64/52/97/625645297.db2.gz OFFHLXYPBSWWCY-MEJMFZKBSA-N 0 0 320.776 2.215 10 30 DEEERN N#CC1(c2ccc(C(=O)N3CCO[C@H](C(F)F)C3)cc2)CC1 ZINC000194108528 625687437 /nfs/dbraw/zinc/68/74/37/625687437.db2.gz FIHQBUZDBATDCK-ZDUSSCGKSA-N 0 0 306.312 2.348 10 30 DEEERN O=[N+]([O-])c1ccc(C=NOCc2cnn(-c3ccccc3)n2)o1 ZINC000255252861 624061719 /nfs/dbraw/zinc/06/17/19/624061719.db2.gz YNBZUAPFNHJHKS-UHFFFAOYSA-N 0 0 313.273 2.319 10 30 DEEERN CS(=O)(=O)CCCC(=O)OCC#Cc1ccc(Cl)cc1 ZINC000177897997 624064493 /nfs/dbraw/zinc/06/44/93/624064493.db2.gz XPEKKPKIXMCVBP-UHFFFAOYSA-N 0 0 314.790 2.060 10 30 DEEERN COc1cccc(/C=N\C2CCN(C(=O)C(C)C)CC2)c1O ZINC000255898646 625189780 /nfs/dbraw/zinc/18/97/80/625189780.db2.gz ZQGFGLZRIHBCAL-WQRHYEAKSA-N 0 0 304.390 2.467 10 30 DEEERN CC(C)(CCC#N)COC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000195069054 625771280 /nfs/dbraw/zinc/77/12/80/625771280.db2.gz RMQCYBATJJAXFK-XHDPSFHLSA-N 0 0 310.419 2.314 10 30 DEEERN COc1ccc(CSCC(=O)N2CCO[C@H](C)C2)cc1C#N ZINC000179515123 625789354 /nfs/dbraw/zinc/78/93/54/625789354.db2.gz DQZYHMCBTVSYJW-GFCCVEGCSA-N 0 0 320.414 2.047 10 30 DEEERN Cc1csc(=Nc2ccccc2C#N)n1CC(=O)NC(C)C ZINC000255840094 625818103 /nfs/dbraw/zinc/81/81/03/625818103.db2.gz BFWUHUCFDGQRKF-UHFFFAOYSA-N 0 0 314.414 2.487 10 30 DEEERN C#Cc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2C)cn1 ZINC000733937733 633299092 /nfs/dbraw/zinc/29/90/92/633299092.db2.gz XWJOZXQGBKYAAK-UHFFFAOYSA-N 0 0 314.366 2.027 10 30 DEEERN C=C(COC(=O)c1cc2ccc(OC)cc2[nH]1)C(=O)OCC ZINC000734028766 633312895 /nfs/dbraw/zinc/31/28/95/633312895.db2.gz NEPOBBXMNNIDPE-UHFFFAOYSA-N 0 0 303.314 2.453 10 30 DEEERN C=C(COC(=O)c1cc(C)nc2onc(C)c21)C(=O)OCC ZINC000734028776 633313137 /nfs/dbraw/zinc/31/31/37/633313137.db2.gz NMBCJYWLXGEIHW-UHFFFAOYSA-N 0 0 304.302 2.116 10 30 DEEERN C=C(COC(=O)c1ccc(-n2ccc(C)n2)cc1)C(=O)OCC ZINC000734027800 633313254 /nfs/dbraw/zinc/31/32/54/633313254.db2.gz YUCSXVNMFDOPHI-UHFFFAOYSA-N 0 0 314.341 2.457 10 30 DEEERN C=C(COC(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1)C(=O)OCC ZINC000734033776 633314733 /nfs/dbraw/zinc/31/47/33/633314733.db2.gz WELJAPHHFCUZAM-HUUCEWRRSA-N 0 0 304.342 2.461 10 30 DEEERN C=C(COC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)OCC ZINC000734025321 633317962 /nfs/dbraw/zinc/31/79/62/633317962.db2.gz LAIPHPUMZVURJQ-UHFFFAOYSA-N 0 0 317.341 2.090 10 30 DEEERN C#CCOc1ccccc1CNC(=O)NCC[C@H]1CCCO1 ZINC000734166025 633341579 /nfs/dbraw/zinc/34/15/79/633341579.db2.gz KRTSOUWJJAGWNL-OAHLLOKOSA-N 0 0 302.374 2.067 10 30 DEEERN C=CCCOCC(=O)Oc1ccc(OCc2nc(C)no2)cc1 ZINC000734398848 633366681 /nfs/dbraw/zinc/36/66/81/633366681.db2.gz ZDTPQTAUZFFJEV-UHFFFAOYSA-N 0 0 318.329 2.455 10 30 DEEERN C=CCOCC(=O)OC1CCN(c2ccc(Cl)cn2)CC1 ZINC000735217441 633486612 /nfs/dbraw/zinc/48/66/12/633486612.db2.gz WPDXPQKCSCZJKO-UHFFFAOYSA-N 0 0 310.781 2.450 10 30 DEEERN C=CCNC(=S)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000735244379 633493906 /nfs/dbraw/zinc/49/39/06/633493906.db2.gz QTNNYXDANVUIKE-ZDUSSCGKSA-N 0 0 305.447 2.314 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@@H](c3nccn3C)C2)CCOCC1 ZINC000424815234 635967144 /nfs/dbraw/zinc/96/71/44/635967144.db2.gz XHDWJGDLZTWTEA-OAHLLOKOSA-N 0 0 317.433 2.499 10 30 DEEERN C#CCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C(C)C)cc1 ZINC000108186802 636209942 /nfs/dbraw/zinc/20/99/42/636209942.db2.gz ZSHSXHMCUMWMQF-INIZCTEOSA-N 0 0 314.385 2.284 10 30 DEEERN C=CCNC(=O)c1ccc(NCCCC2CCOCC2)nc1 ZINC000450562541 636843864 /nfs/dbraw/zinc/84/38/64/636843864.db2.gz WAVNWYIXGCXWGU-UHFFFAOYSA-N 0 0 303.406 2.616 10 30 DEEERN C=CCNC(=S)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000018167709 637006895 /nfs/dbraw/zinc/00/68/95/637006895.db2.gz UUJJRVOSFIEWPZ-UHFFFAOYSA-N 0 0 317.458 2.075 10 30 DEEERN C#CCCCC(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000192088294 637538934 /nfs/dbraw/zinc/53/89/34/637538934.db2.gz XCELKRUDLKQMRM-UHFFFAOYSA-N 0 0 308.381 2.316 10 30 DEEERN CN(C)C(=O)c1ccc(OC(=O)Cc2cccc(C#N)c2)cc1 ZINC000749321594 637547119 /nfs/dbraw/zinc/54/71/19/637547119.db2.gz YFLMTQPTPDVDIA-UHFFFAOYSA-N 0 0 308.337 2.408 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc[n+]1[O-] ZINC000063250363 637550370 /nfs/dbraw/zinc/55/03/70/637550370.db2.gz QSYVGWOLTODWCG-UHFFFAOYSA-N 0 0 313.313 2.057 10 30 DEEERN CS(=O)(=O)[C@H]1CCCCC1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000741451539 637983553 /nfs/dbraw/zinc/98/35/53/637983553.db2.gz RDPCPTYLRSIVHG-ZDUSSCGKSA-N 0 0 311.363 2.350 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000742967926 638105690 /nfs/dbraw/zinc/10/56/90/638105690.db2.gz NZHIWWASYIAQPX-IBGZPJMESA-N 0 0 319.408 2.462 10 30 DEEERN CCOC(=O)c1ccc(C#N)c(SC/C=C(\C)C(=O)OC)n1 ZINC000743453623 638148068 /nfs/dbraw/zinc/14/80/68/638148068.db2.gz GWBDJGJAHWPCQC-JXMROGBWSA-N 0 0 320.370 2.341 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)CCCC=C ZINC000743917036 638181082 /nfs/dbraw/zinc/18/10/82/638181082.db2.gz CXJHEGQGSATDNV-UHFFFAOYSA-N 0 0 318.348 2.201 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCCC1CC1 ZINC000743910609 638181308 /nfs/dbraw/zinc/18/13/08/638181308.db2.gz AVZFXRCUYDCVAU-UHFFFAOYSA-N 0 0 318.348 2.083 10 30 DEEERN C=CCCOCC(=O)OC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000744227705 638203049 /nfs/dbraw/zinc/20/30/49/638203049.db2.gz PIUHXESGJIPXSP-INIZCTEOSA-N 0 0 317.385 2.171 10 30 DEEERN C#CCNC(=O)[C@H](C)OC(=O)c1sc(C2CCCC2)nc1C ZINC000745606482 638277300 /nfs/dbraw/zinc/27/73/00/638277300.db2.gz HEGFOVCEYTUTMS-NSHDSACASA-N 0 0 320.414 2.404 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)NC[C@H](C)c1nc2ccccc2o1 ZINC000746649585 638364945 /nfs/dbraw/zinc/36/49/45/638364945.db2.gz NGGGXBLKWREEMI-ZFWWWQNUSA-N 0 0 311.385 2.145 10 30 DEEERN COc1ccc(CNC(=O)N(C)C[C@@H]2CCCOC2)cc1C#N ZINC000746785580 638377366 /nfs/dbraw/zinc/37/73/66/638377366.db2.gz QRLZCQSXYONGIA-AWEZNQCLSA-N 0 0 317.389 2.135 10 30 DEEERN CC[C@@H]1CN(C(=O)NCc2ccc(OC)c(C#N)c2)C[C@H](C)O1 ZINC000746785683 638377583 /nfs/dbraw/zinc/37/75/83/638377583.db2.gz TXSCFPUPFNNFCA-SWLSCSKDSA-N 0 0 317.389 2.276 10 30 DEEERN COc1cccc(CC(=O)NCc2ccc(OC)c(C#N)c2)c1 ZINC000746877851 638383397 /nfs/dbraw/zinc/38/33/97/638383397.db2.gz UNRLUWNFVUPGJZ-UHFFFAOYSA-N 0 0 310.353 2.434 10 30 DEEERN COc1ccc(CNC(=O)COc2ccccc2C=O)cc1C#N ZINC000747063837 638403553 /nfs/dbraw/zinc/40/35/53/638403553.db2.gz ADBUUTOWQUIEHE-UHFFFAOYSA-N 0 0 324.336 2.075 10 30 DEEERN C#CC[C@H](OC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(C)C ZINC000747193743 638417487 /nfs/dbraw/zinc/41/74/87/638417487.db2.gz GVGSIIUHUQGVGJ-KFWWJZLASA-N 0 0 319.401 2.143 10 30 DEEERN C=CC[C@@H](C)NS(=O)(=O)c1ccc(/C=C\C(=O)OC)cc1 ZINC000747274166 638425985 /nfs/dbraw/zinc/42/59/85/638425985.db2.gz TVVHRYKAGZKRKP-NXIHDVOMSA-N 0 0 309.387 2.116 10 30 DEEERN COc1ccc(CNC(=O)Cn2cc3ccccc3n2)cc1C#N ZINC000747446558 638438568 /nfs/dbraw/zinc/43/85/68/638438568.db2.gz AYCOIESIWVIRTR-UHFFFAOYSA-N 0 0 320.352 2.233 10 30 DEEERN COc1ccc(CNC(=O)CC2(O)CCCCC2)cc1C#N ZINC000747447242 638438587 /nfs/dbraw/zinc/43/85/87/638438587.db2.gz ZPBXVANZJROJJI-UHFFFAOYSA-N 0 0 302.374 2.268 10 30 DEEERN C=C(C)CS(=O)(=O)NCCCn1nc(C)c2ccccc21 ZINC000223442368 638588970 /nfs/dbraw/zinc/58/89/70/638588970.db2.gz YWTFIPUNLUCROJ-UHFFFAOYSA-N 0 0 307.419 2.230 10 30 DEEERN C#CCNC(=O)CNc1cc(Cl)ccc1OCC(F)(F)F ZINC000749261616 638629876 /nfs/dbraw/zinc/62/98/76/638629876.db2.gz UMTRKMYCMBXKOT-UHFFFAOYSA-N 0 0 320.698 2.442 10 30 DEEERN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)Cc1cccc(C#N)c1 ZINC000749396530 638643062 /nfs/dbraw/zinc/64/30/62/638643062.db2.gz QGANRDIOEFGFRV-KRWDZBQOSA-N 0 0 306.369 2.393 10 30 DEEERN N#Cc1cccc(CC(=O)OCc2nc(-c3ccco3)no2)c1 ZINC000750430715 638743597 /nfs/dbraw/zinc/74/35/97/638743597.db2.gz RKGVNLZMOPYYSL-UHFFFAOYSA-N 0 0 309.281 2.487 10 30 DEEERN C=CCCC(=O)OCC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000728100339 639004114 /nfs/dbraw/zinc/00/41/14/639004114.db2.gz REHWVJXEKOEUBB-SNVBAGLBSA-N 0 0 303.314 2.098 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)O[C@H](C#N)C(C)C)cc2C1=O ZINC000750648327 639012534 /nfs/dbraw/zinc/01/25/34/639012534.db2.gz NIQBQFBIKNBEJY-CQSZACIVSA-N 0 0 312.325 2.174 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)C(C)(C)c1cnn(C)c1 ZINC000752233813 639165372 /nfs/dbraw/zinc/16/53/72/639165372.db2.gz SHTAREHTIUKSPR-CYBMUJFWSA-N 0 0 321.421 2.054 10 30 DEEERN CCOC(=O)[C@@H](CC1CC1)NC(=O)/C=C/c1ccccc1C#N ZINC000752383343 639177206 /nfs/dbraw/zinc/17/72/06/639177206.db2.gz LTCAUVQUYDOZNG-ZNFPLGDCSA-N 0 0 312.369 2.419 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1cnc2onc(CC)c2c1)C(C)(C)C ZINC000805148984 639849852 /nfs/dbraw/zinc/84/98/52/639849852.db2.gz RWDDXCKOUVEKDP-ZDUSSCGKSA-N 0 0 321.402 2.111 10 30 DEEERN C#CCOCCNC(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000752757629 640059429 /nfs/dbraw/zinc/05/94/29/640059429.db2.gz DWHZKPVSJONNLU-UHFFFAOYSA-N 0 0 314.336 2.248 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000729137266 640064151 /nfs/dbraw/zinc/06/41/51/640064151.db2.gz OWLNABPRRLJUEU-LBPRGKRZSA-N 0 0 316.332 2.464 10 30 DEEERN N#Cc1ccc(CNC(=O)c2ccc(-n3cccn3)nc2)c(F)c1 ZINC000729833006 640844974 /nfs/dbraw/zinc/84/49/74/640844974.db2.gz YLZNQOMTNALMHG-UHFFFAOYSA-N 0 0 321.315 2.208 10 30 DEEERN Cn1cc(C#N)c(NC(=O)N[C@H]2Cc3ccc(Cl)cc3C2)n1 ZINC000800546655 645286910 /nfs/dbraw/zinc/28/69/10/645286910.db2.gz PVCUGZCCKNXDKA-ZDUSSCGKSA-N 0 0 315.764 2.234 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800580816 645289546 /nfs/dbraw/zinc/28/95/46/645289546.db2.gz VOTRCLRLJXUZDS-CVEARBPZSA-N 0 0 302.805 2.021 10 30 DEEERN C=CCCc1ccccc1NC(=O)NCCS(=O)(=O)CC ZINC000800576786 645289852 /nfs/dbraw/zinc/28/98/52/645289852.db2.gz XMWAXHGTYBILFY-UHFFFAOYSA-N 0 0 310.419 2.361 10 30 DEEERN C#CCN(C)c1nnc(CN2CCCc3ccccc32)n1CC ZINC000801870122 645454741 /nfs/dbraw/zinc/45/47/41/645454741.db2.gz QFJVMCIFYDVCQE-UHFFFAOYSA-N 0 0 309.417 2.320 10 30 DEEERN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCO[C@@H](C(F)F)C1 ZINC000802308038 645515704 /nfs/dbraw/zinc/51/57/04/645515704.db2.gz SSNCCTFNVLCDKU-UONOGXRCSA-N 0 0 321.327 2.221 10 30 DEEERN COCCn1c(CC(C)C)nnc1N1CCC(C)(C#N)CC1 ZINC000802436995 645524756 /nfs/dbraw/zinc/52/47/56/645524756.db2.gz KXHJELFHZHVOIC-UHFFFAOYSA-N 0 0 305.426 2.253 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N(C)Cc1c(C)nn(C)c1C ZINC000802575144 645534867 /nfs/dbraw/zinc/53/48/67/645534867.db2.gz ZLHPTIIENXFFKW-UHFFFAOYSA-N 0 0 302.426 2.403 10 30 DEEERN C=C[C@H](C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000802782276 645557567 /nfs/dbraw/zinc/55/75/67/645557567.db2.gz QIWJWOPDDJTSLQ-ZFWWWQNUSA-N 0 0 323.414 2.266 10 30 DEEERN C#C[C@@H](C)Oc1ccc(COC(=O)COC2CCOCC2)cc1 ZINC000802812092 645562848 /nfs/dbraw/zinc/56/28/48/645562848.db2.gz VSUAGOAADAXHTI-CQSZACIVSA-N 0 0 318.369 2.326 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCOC[C@@H]1CCCO1 ZINC000804458779 645774067 /nfs/dbraw/zinc/77/40/67/645774067.db2.gz HHJMJDNSRBLEAG-ROUUACIJSA-N 0 0 315.413 2.323 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Cc1noc(C)c1C#N ZINC000804456014 645774215 /nfs/dbraw/zinc/77/42/15/645774215.db2.gz QCALPYZHCVMMAP-HNNXBMFYSA-N 0 0 307.353 2.148 10 30 DEEERN C#C[C@H](C)NC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000806331298 645820895 /nfs/dbraw/zinc/82/08/95/645820895.db2.gz IHYNDUQOJIXPDW-FHZGZLOMSA-N 0 0 304.293 2.457 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C)nc1 ZINC000807339028 645941564 /nfs/dbraw/zinc/94/15/64/645941564.db2.gz QEQYQFUQTSZPSZ-MRXNPFEDSA-N 0 0 321.380 2.079 10 30 DEEERN C#CCOc1cccc(NC(=O)C(=O)NCCC2(F)CCC2)c1 ZINC000807489248 645958105 /nfs/dbraw/zinc/95/81/05/645958105.db2.gz CYQJFMGRSVYHLR-UHFFFAOYSA-N 0 0 318.348 2.036 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@H](CO)c1ccc(Cl)cc1 ZINC000807852221 645998253 /nfs/dbraw/zinc/99/82/53/645998253.db2.gz MJDVEXNDTOKWIR-OAHLLOKOSA-N 0 0 303.789 2.195 10 30 DEEERN C=CCn1cnc2oc(C)c(C(=O)N3CCCCC3)c2c1=O ZINC000222769099 646465653 /nfs/dbraw/zinc/46/56/53/646465653.db2.gz ZVAFKEWPVYOPQC-UHFFFAOYSA-N 0 0 301.346 2.110 10 30 DEEERN Cc1cccc(CNC(=O)NCc2ccc(OCC#N)cc2)n1 ZINC000170798809 646668200 /nfs/dbraw/zinc/66/82/00/646668200.db2.gz YQLRYIPXKKFWCE-UHFFFAOYSA-N 0 0 310.357 2.292 10 30 DEEERN C#CCNC(=O)c1ccccc1NC(=O)[C@@H](C)c1cccnc1 ZINC000174319769 646803009 /nfs/dbraw/zinc/80/30/09/646803009.db2.gz KVJDYPZNAKOJQM-ZDUSSCGKSA-N 0 0 307.353 2.187 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)NCc1ccc2[nH]c(C)c(C)c2c1 ZINC000730281455 646888038 /nfs/dbraw/zinc/88/80/38/646888038.db2.gz WOWZDSCDPBPPGH-SFHVURJKSA-N 0 0 309.413 2.499 10 30 DEEERN C#C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(CC=C)C2=O)C1CC1 ZINC000152689729 647252208 /nfs/dbraw/zinc/25/22/08/647252208.db2.gz RYDLQYDHESHXPH-OAHLLOKOSA-N 0 0 309.321 2.037 10 30 DEEERN N#CCOc1ccc(CNC(=O)Cn2ncc3ccccc32)cc1 ZINC000730543682 647350819 /nfs/dbraw/zinc/35/08/19/647350819.db2.gz OMIMWNZPGHXFEI-UHFFFAOYSA-N 0 0 320.352 2.255 10 30 DEEERN CC(C)(C)OC(=O)NCCCCCC(=O)N[C@@H](C#N)C1CC1 ZINC000153155669 647362058 /nfs/dbraw/zinc/36/20/58/647362058.db2.gz UBOAHAAFOWLEQM-ZDUSSCGKSA-N 0 0 309.410 2.490 10 30 DEEERN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)C1=COCCC1 ZINC000730851809 647420693 /nfs/dbraw/zinc/42/06/93/647420693.db2.gz FEIDEAVDSWOBEB-UHFFFAOYSA-N 0 0 320.732 2.388 10 30 DEEERN C#CCNC(=O)CN1CCc2ccccc2[C@H]1c1ccccc1 ZINC000731032481 647441886 /nfs/dbraw/zinc/44/18/86/647441886.db2.gz BEXKVJWEIUGXQV-HXUWFJFHSA-N 0 0 304.393 2.384 10 30 DEEERN COc1ccc(O)c(/C=N/[C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000193337335 647471734 /nfs/dbraw/zinc/47/17/34/647471734.db2.gz IRDOBJAYAVHCMV-XLTHYULKSA-N 0 0 312.373 2.279 10 30 DEEERN C#Cc1ccc(C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)cn1 ZINC000732085148 647540777 /nfs/dbraw/zinc/54/07/77/647540777.db2.gz KIAFOZGVNNHYBX-AWEZNQCLSA-N 0 0 321.384 2.009 10 30 DEEERN C[C@@H](Cc1ccccc1)C(=O)OCC(=O)N(C)C(C)(C)C#N ZINC000732582227 647628624 /nfs/dbraw/zinc/62/86/24/647628624.db2.gz QFENDMSHGNGTQD-ZDUSSCGKSA-N 0 0 302.374 2.169 10 30 DEEERN C[C@H](NC(=S)N1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000732626046 647633111 /nfs/dbraw/zinc/63/31/11/647633111.db2.gz RMPHUZXKERMFQL-XJKSGUPXSA-N 0 0 314.458 2.294 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cc3ccsc3[nH]2)CCN1C1CC1 ZINC000732664190 647637576 /nfs/dbraw/zinc/63/75/76/647637576.db2.gz FNPAWMKYVJIAFN-GFCCVEGCSA-N 0 0 300.387 2.042 10 30 DEEERN C=CCC[C@H](C)OC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000180163795 648467686 /nfs/dbraw/zinc/46/76/86/648467686.db2.gz KOCLSKPQWVVDRZ-LBPRGKRZSA-N 0 0 308.378 2.139 10 30 DEEERN CC(C)(C#N)COC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 ZINC000180177094 648469515 /nfs/dbraw/zinc/46/95/15/648469515.db2.gz IGYGNFTUHHFRPZ-RMKNXTFCSA-N 0 0 322.386 2.164 10 30 DEEERN COc1c2cnn(C)c2ncc1C(=O)OCC1(C#N)CCCC1 ZINC000181666372 648725018 /nfs/dbraw/zinc/72/50/18/648725018.db2.gz BHTZMBVFIVRVTF-UHFFFAOYSA-N 0 0 314.345 2.218 10 30 DEEERN N#CC1(COC(=O)CCS(=O)(=O)C2CCCC2)CCCC1 ZINC000183903110 649196069 /nfs/dbraw/zinc/19/60/69/649196069.db2.gz PVRJVMPBQGJEAM-UHFFFAOYSA-N 0 0 313.419 2.361 10 30 DEEERN Cc1ccc(-c2cc(C(=O)OCC3(C#N)CCOCC3)n[nH]2)o1 ZINC000183944435 649204703 /nfs/dbraw/zinc/20/47/03/649204703.db2.gz WBJBWKGUOFDLBZ-UHFFFAOYSA-N 0 0 315.329 2.455 10 30 DEEERN CCCn1nc(C)c(C(=O)OCC2(C#N)CCOCC2)c1C ZINC000183993579 649218720 /nfs/dbraw/zinc/21/87/20/649218720.db2.gz RYQBQZBHUBDLAE-UHFFFAOYSA-N 0 0 305.378 2.387 10 30 DEEERN C#CCCNC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000733246144 649463224 /nfs/dbraw/zinc/46/32/24/649463224.db2.gz GAQZMPPOUOTCTB-UHFFFAOYSA-N 0 0 300.339 2.292 10 30 DEEERN C#CCCNC(=O)CCN1C(=S)N=NC1c1ccc(C)cc1 ZINC000733288590 649538016 /nfs/dbraw/zinc/53/80/16/649538016.db2.gz RRIZNTJWHWMLKX-UHFFFAOYSA-N 0 0 314.414 2.072 10 30 DEEERN C#CCCNS(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC000733321367 649542479 /nfs/dbraw/zinc/54/24/79/649542479.db2.gz RBTZLCIMZCGZEH-UHFFFAOYSA-N 0 0 324.789 2.198 10 30 DEEERN C=CCOc1ccccc1C(=O)OCCN1CCCCC1=O ZINC000107029557 651408474 /nfs/dbraw/zinc/40/84/74/651408474.db2.gz IKMRMYJORPATOO-UHFFFAOYSA-N 0 0 303.358 2.421 10 30 DEEERN CC(C)C(=O)N1CCN(c2nc3ccccc3cc2C#N)CC1 ZINC000041250903 683889741 /nfs/dbraw/zinc/88/97/41/683889741.db2.gz LRMBSYWLEZBQCJ-UHFFFAOYSA-N 0 0 308.385 2.411 10 30 DEEERN C#CCN(CC#C)CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000076185450 683940660 /nfs/dbraw/zinc/94/06/60/683940660.db2.gz KYFFAIDKUGMVMQ-GOSISDBHSA-N 0 0 300.377 2.207 10 30 DEEERN C=CCCOC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000116594102 684065603 /nfs/dbraw/zinc/06/56/03/684065603.db2.gz XQBTVPCIQUOHOD-GOEBONIOSA-N 0 0 303.358 2.334 10 30 DEEERN C=CCCCOC(=O)c1cnn(-c2ccc(OCC)nn2)c1C ZINC000117993296 684070215 /nfs/dbraw/zinc/07/02/15/684070215.db2.gz QOOVNEQNSCGAQV-UHFFFAOYSA-N 0 0 316.361 2.492 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NC[C@@H](C)CC1(C)OCCO1 ZINC000124846267 684138891 /nfs/dbraw/zinc/13/88/91/684138891.db2.gz PQCQMYWJUOJZQN-LBPRGKRZSA-N 0 0 302.374 2.386 10 30 DEEERN C[C@H](C#N)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000125664100 684147891 /nfs/dbraw/zinc/14/78/91/684147891.db2.gz ZHXNBLYOLUWMJV-LLVKDONJSA-N 0 0 302.334 2.227 10 30 DEEERN C=CCn1nnn(CN2CCO[C@H](c3cccs3)C2)c1=S ZINC000128490492 684171739 /nfs/dbraw/zinc/17/17/39/684171739.db2.gz ZAYTZQNQIOHQDN-NSHDSACASA-N 0 0 323.447 2.088 10 30 DEEERN COc1cccc(C#CCOC(=O)CCc2cnn(C)c2C)c1 ZINC000129268482 684177676 /nfs/dbraw/zinc/17/76/76/684177676.db2.gz XQOHAEHIGOXZEJ-UHFFFAOYSA-N 0 0 312.369 2.265 10 30 DEEERN N#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCCC[C@H]1O ZINC000135292047 684234164 /nfs/dbraw/zinc/23/41/64/684234164.db2.gz CSCWARWQJALIDT-WCQYABFASA-N 0 0 307.325 2.153 10 30 DEEERN C=C(C)COCCNC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000136214898 684238107 /nfs/dbraw/zinc/23/81/07/684238107.db2.gz VPUHFJUYMLVGLZ-HNNXBMFYSA-N 0 0 316.401 2.057 10 30 DEEERN COc1ccccc1[C@@H](O)CNC(=O)c1cccc(CC#N)c1 ZINC000147770585 684261949 /nfs/dbraw/zinc/26/19/49/684261949.db2.gz WEKKYNKMTBEWHZ-INIZCTEOSA-N 0 0 310.353 2.225 10 30 DEEERN CCCCCNC(=O)[C@H](C#N)C(=O)CSCC(F)(F)F ZINC000155975808 684283579 /nfs/dbraw/zinc/28/35/79/684283579.db2.gz JIJOMPBINASTHE-SECBINFHSA-N 0 0 310.341 2.297 10 30 DEEERN C#CCSCCNC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000156125682 684285030 /nfs/dbraw/zinc/28/50/30/684285030.db2.gz XMOJJBNHKRIAQJ-UHFFFAOYSA-N 0 0 303.362 2.312 10 30 DEEERN Cn1cc(C#N)cc1C(=O)O[C@@H]([C@H]1CCCO1)C(F)(F)F ZINC000158803568 684304286 /nfs/dbraw/zinc/30/42/86/684304286.db2.gz AFRXMLSPJDKGNP-MNOVXSKESA-N 0 0 302.252 2.163 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCC(=O)OCc1ccccc1 ZINC000159385082 684313879 /nfs/dbraw/zinc/31/38/79/684313879.db2.gz ZBJOGNYYCTUKIQ-UHFFFAOYSA-N 0 0 308.337 2.340 10 30 DEEERN C#CCCCC(=O)OCCCc1nc2nc(C)cc(C)n2n1 ZINC000191082875 684420281 /nfs/dbraw/zinc/42/02/81/684420281.db2.gz PIOLQMWKZYHKLQ-UHFFFAOYSA-N 0 0 300.362 2.020 10 30 DEEERN C=C[C@@](C)(CCOC)COC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000192437064 684450052 /nfs/dbraw/zinc/45/00/52/684450052.db2.gz XUHGKLZEIPFLGD-AWEZNQCLSA-N 0 0 311.338 2.197 10 30 DEEERN COc1ccc(CNC(=O)[C@H](C#N)C(=O)[C@H]2C[C@H]2C2CC2)cc1 ZINC000246126179 685123864 /nfs/dbraw/zinc/12/38/64/685123864.db2.gz LVAPCLYWOGXLEH-HRCADAONSA-N 0 0 312.369 2.066 10 30 DEEERN C#CCCS(=O)(=O)N[C@H](C)c1ccccc1Br ZINC000279548268 685214682 /nfs/dbraw/zinc/21/46/82/685214682.db2.gz WJCTUTVNZNKXAB-SNVBAGLBSA-N 0 0 316.220 2.453 10 30 DEEERN C#CC[C@H](OC(=O)/C=C\c1cncc(C(=O)NC)c1)C(C)(C)C ZINC000588540035 777374159 /nfs/dbraw/zinc/37/41/59/777374159.db2.gz QTQJDLSPNOVCTC-CDNLZTBQSA-N 0 0 314.385 2.436 10 30 DEEERN C#CC[C@H](COC)NC(=O)/C=C/c1ccc(Br)o1 ZINC000716823512 793008062 /nfs/dbraw/zinc/00/80/62/793008062.db2.gz ZZBOGTSDJUJWCN-QEHWCHDUSA-N 0 0 312.163 2.210 10 30 DEEERN C#CC[C@H](COC)NC(=O)c1ccc(F)c(Br)c1 ZINC000716849602 793009812 /nfs/dbraw/zinc/00/98/12/793009812.db2.gz VMKHSRYQGCDYLE-SNVBAGLBSA-N 0 0 314.154 2.356 10 30 DEEERN C#CC[C@H](COC)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000716890977 793022065 /nfs/dbraw/zinc/02/20/65/793022065.db2.gz ZCLSRMCZTLFJMP-SECBINFHSA-N 0 0 322.213 2.310 10 30 DEEERN C#CC1(O)CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000708158916 1086677362 /nfs/dbraw/zinc/67/73/62/1086677362.db2.gz OEEMCEKDFZEGIW-UHFFFAOYSA-N 0 0 313.184 2.176 10 30 DEEERN CSCCCN(C)S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000719972388 1089424425 /nfs/dbraw/zinc/42/44/25/1089424425.db2.gz KJTUKUYAJBRFLY-UHFFFAOYSA-N 0 0 302.396 2.071 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)NC[C@H]2CCCCS2)c1 ZINC000720034694 1089426406 /nfs/dbraw/zinc/42/64/06/1089426406.db2.gz AZQKNYJJHJPNCS-GFCCVEGCSA-N 0 0 314.407 2.261 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)NC[C@@H]2CCCSC2)c1 ZINC000720081533 1089496462 /nfs/dbraw/zinc/49/64/62/1089496462.db2.gz AZFJOJBWMBYBHY-JTQLQIEISA-N 0 0 314.407 2.119 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)c1cn2c(n1)COCC2 ZINC000624754536 365535292 /nfs/dbraw/zinc/53/52/92/365535292.db2.gz SGOYHCRYDBVKMN-UHFFFAOYSA-N 0 0 311.385 2.284 10 30 DEEERN C=CCn1c(N2CCO[C@](C)(COC)C2)nnc1C(C)(C)C ZINC000624817396 365560151 /nfs/dbraw/zinc/56/01/51/365560151.db2.gz KBPJFAYFBPXMCY-INIZCTEOSA-N 0 0 308.426 2.003 10 30 DEEERN C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1C[C@@H]2C[C@H]1CS2 ZINC000624842727 365568723 /nfs/dbraw/zinc/56/87/23/365568723.db2.gz YNHBOHBMZLBMED-MROQNXINSA-N 0 0 306.435 2.398 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2cscn2)C1 ZINC000612128947 361752946 /nfs/dbraw/zinc/75/29/46/361752946.db2.gz CQILTTKIDLKFHC-NWDGAFQWSA-N 0 0 307.419 2.135 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2c1cccc2OC ZINC000612374303 361807887 /nfs/dbraw/zinc/80/78/87/361807887.db2.gz LXRBQJZRMCNTEK-CVEARBPZSA-N 0 0 316.401 2.270 10 30 DEEERN C=C(C)Cn1c(CC(C)C)nnc1N1CCO[C@](C)(COC)C1 ZINC000624971674 365603335 /nfs/dbraw/zinc/60/33/35/365603335.db2.gz RWRAKTMDEXVDPA-KRWDZBQOSA-N 0 0 322.453 2.294 10 30 DEEERN C=C(C)Cn1c([C@H]2CCO[C@@H]2C)nnc1N1CC2(C1)CCCO2 ZINC000624976787 365604156 /nfs/dbraw/zinc/60/41/56/365604156.db2.gz ISGYPRRFKYYESZ-KGLIPLIRSA-N 0 0 318.421 2.116 10 30 DEEERN C=CCN(C)c1nnc([C@H]2CC[C@@H](C)O2)n1C[C@H]1CCCO1 ZINC000625087590 365638852 /nfs/dbraw/zinc/63/88/52/365638852.db2.gz DTGANVXEGXEWTA-MGPQQGTHSA-N 0 0 306.410 2.319 10 30 DEEERN C[C@H](CC(=O)N1CCc2ccc(C#N)cc21)N1CCCCC1=O ZINC000328759223 231332947 /nfs/dbraw/zinc/33/29/47/231332947.db2.gz WOPFSMOIRMQOTM-CYBMUJFWSA-N 0 0 311.385 2.238 10 30 DEEERN Cc1ccc(C#CCO)cc1C(=O)N(C)Cc1cscn1 ZINC000087746188 185231269 /nfs/dbraw/zinc/23/12/69/185231269.db2.gz MLLOVIXZVUNTDG-UHFFFAOYSA-N 0 0 300.383 2.068 10 30 DEEERN Cn1c(CO)cnc1Sc1nc2c(cc1C#N)CCCC2 ZINC000090244091 185288147 /nfs/dbraw/zinc/28/81/47/185288147.db2.gz QXCUMIILSAJHSP-UHFFFAOYSA-N 0 0 300.387 2.209 10 30 DEEERN N#Cc1ccc(C(=O)NCCc2csc(-n3cccn3)n2)cc1 ZINC000090703544 185310689 /nfs/dbraw/zinc/31/06/89/185310689.db2.gz ZHSPXMUUCUCRPY-UHFFFAOYSA-N 0 0 323.381 2.173 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1ccc(Br)cc1F ZINC000613486675 362126576 /nfs/dbraw/zinc/12/65/76/362126576.db2.gz DSZPSGYFUDBNEC-NSHDSACASA-N 0 0 316.170 2.184 10 30 DEEERN CC(=O)N1CCc2c1cccc2NC(=O)c1ccc(C#N)nc1 ZINC000613582091 362154229 /nfs/dbraw/zinc/15/42/29/362154229.db2.gz NGWUCLNWCUBUHW-UHFFFAOYSA-N 0 0 306.325 2.115 10 30 DEEERN COCCN(Cc1cnc2ccc(C#N)cn12)CC(F)(F)F ZINC000092645702 185331146 /nfs/dbraw/zinc/33/11/46/185331146.db2.gz NVRSYJAGKBTYKJ-UHFFFAOYSA-N 0 0 312.295 2.217 10 30 DEEERN CC(C)(C)OC(=O)N1CCC[C@@](C#N)(NCC(F)(F)F)C1 ZINC000092595164 185328533 /nfs/dbraw/zinc/32/85/33/185328533.db2.gz GIWVRWXUYXRMSH-LBPRGKRZSA-N 0 0 307.316 2.432 10 30 DEEERN C[S@@](=O)c1cccc(C(=O)NCc2ccc(C#N)cc2F)c1 ZINC000613706912 362186581 /nfs/dbraw/zinc/18/65/81/362186581.db2.gz CEGJUSWFHSVZTG-JOCHJYFZSA-N 0 0 316.357 2.365 10 30 DEEERN CCc1nc(C(C)(C)NC(=O)CCc2ccc(C#N)cc2)no1 ZINC000441691885 529711705 /nfs/dbraw/zinc/71/17/05/529711705.db2.gz RVBKECGFYQDVQT-UHFFFAOYSA-N 0 0 312.373 2.488 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@@H]1c1cc(C)no1 ZINC000625416087 365774148 /nfs/dbraw/zinc/77/41/48/365774148.db2.gz BYZOIUMKZQAQIO-CYBMUJFWSA-N 0 0 319.405 2.365 10 30 DEEERN CCc1nc2n(n1)C[C@@H](Nc1cc(C#N)ccc1C(C)=O)CC2 ZINC000302081521 529750978 /nfs/dbraw/zinc/75/09/78/529750978.db2.gz CEDHBPYWNJSUJY-ZDUSSCGKSA-N 0 0 309.373 2.342 10 30 DEEERN CCc1nc2n(n1)C[C@H](Nc1cc(C#N)ccc1C(C)=O)CC2 ZINC000302081520 529751611 /nfs/dbraw/zinc/75/16/11/529751611.db2.gz CEDHBPYWNJSUJY-CYBMUJFWSA-N 0 0 309.373 2.342 10 30 DEEERN CCc1ncnc(N2CC[C@H](n3ccc(NC(C)=O)n3)C2)c1F ZINC000328611331 529762017 /nfs/dbraw/zinc/76/20/17/529762017.db2.gz LGYLKUUSMUCFGK-NSHDSACASA-N 0 0 318.356 2.434 10 30 DEEERN CN1CCc2ccc(NC(=O)N[C@H]3CCC[C@@H]3C#N)cc2C1=O ZINC000408234570 529813525 /nfs/dbraw/zinc/81/35/25/529813525.db2.gz FTTVDQJZEGNJFY-DOMZBBRYSA-N 0 0 312.373 2.128 10 30 DEEERN CN(C[C@@H]1CCCOC1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328880237 529951052 /nfs/dbraw/zinc/95/10/52/529951052.db2.gz LSNRFYWSYJGLJC-LNSITVRQSA-N 0 0 309.410 2.156 10 30 DEEERN CCCn1ccnc1CCCN(C)C(=O)c1cc(C#N)cn1C ZINC000190435208 282320528 /nfs/dbraw/zinc/32/05/28/282320528.db2.gz HKKGSYTWAADKCR-UHFFFAOYSA-N 0 0 313.405 2.208 10 30 DEEERN COC(=O)[C@H]1CCCC[C@H]1CNC(=O)c1cccc(C#N)c1 ZINC000170506882 197778086 /nfs/dbraw/zinc/77/80/86/197778086.db2.gz HCHUAMQXXFORFF-GJZGRUSLSA-N 0 0 300.358 2.267 10 30 DEEERN CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000329167396 530041176 /nfs/dbraw/zinc/04/11/76/530041176.db2.gz IFZDKKILYLCORX-IIAWOOMASA-N 0 0 302.374 2.342 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)[C@@H](C)CC(=C)C ZINC000615216070 362559045 /nfs/dbraw/zinc/55/90/45/362559045.db2.gz QXSBIJKDFFIVCG-JYJNAYRXSA-N 0 0 324.465 2.127 10 30 DEEERN C=CCCn1cc(C(=O)N2CCC[C@@H](c3ccccn3)C2)nn1 ZINC000615251478 362566624 /nfs/dbraw/zinc/56/66/24/362566624.db2.gz POWPSRVARZIXDS-CQSZACIVSA-N 0 0 311.389 2.269 10 30 DEEERN Cc1cc(C)c(C#N)c(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1 ZINC000108946720 185541875 /nfs/dbraw/zinc/54/18/75/185541875.db2.gz OJGWZZNINDFJOY-OAHLLOKOSA-N 0 0 322.416 2.465 10 30 DEEERN COc1ccccc1CCN(C)C(=O)C1(C#N)CCOCC1 ZINC000109142625 185554525 /nfs/dbraw/zinc/55/45/25/185554525.db2.gz OTIOTPWQEMIWMM-UHFFFAOYSA-N 0 0 302.374 2.016 10 30 DEEERN COCc1cccc(NC(=O)c2sccc2C#CCO)c1 ZINC000111533691 185611079 /nfs/dbraw/zinc/61/10/79/185611079.db2.gz GICKIISOLLTQPX-UHFFFAOYSA-N 0 0 301.367 2.491 10 30 DEEERN Cc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(C#N)c2)nc1 ZINC000616086411 362768871 /nfs/dbraw/zinc/76/88/71/362768871.db2.gz YPINFDUDIJHYOG-UHFFFAOYSA-N 0 0 319.361 2.222 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC2(CCOCC2)[C@@H]1C(C)C ZINC000616290115 362817873 /nfs/dbraw/zinc/81/78/73/362817873.db2.gz HADGEQYFBUNKIY-CVEARBPZSA-N 0 0 322.449 2.121 10 30 DEEERN COc1ccc(C(=O)CCC(=O)N[C@H](C#N)C2CC2)cc1F ZINC000176035384 539625491 /nfs/dbraw/zinc/62/54/91/539625491.db2.gz PWFVIZODEAURGA-CYBMUJFWSA-N 0 0 304.321 2.216 10 30 DEEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000083562248 192373138 /nfs/dbraw/zinc/37/31/38/192373138.db2.gz CEGYTTQRWVKEDW-CYBMUJFWSA-N 0 0 314.324 2.254 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(-n2cccn2)cc1C ZINC000190856882 539697542 /nfs/dbraw/zinc/69/75/42/539697542.db2.gz YPVHVWCIEXBZOE-CYBMUJFWSA-N 0 0 300.362 2.239 10 30 DEEERN COc1cc2c(c(OC)c1)C(C#N)N(Cc1ccncc1)C2=O ZINC000071680699 191006999 /nfs/dbraw/zinc/00/69/99/191006999.db2.gz BMPNGTQUZBZPJW-CQSZACIVSA-N 0 0 309.325 2.319 10 30 DEEERN Cc1ccc(C#CCO)cc1C(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000133658077 186003947 /nfs/dbraw/zinc/00/39/47/186003947.db2.gz RUCNVPNDPPIVQT-KBPBESRZSA-N 0 0 303.427 2.305 10 30 DEEERN C[C@@H]1CCC[C@H](C)N1NS(=O)(=O)Cc1ccccc1C#N ZINC000147786124 186041731 /nfs/dbraw/zinc/04/17/31/186041731.db2.gz QFSAUYWAMWULRQ-BETUJISGSA-N 0 0 307.419 2.156 10 30 DEEERN Cc1cc(C(=O)NN2[C@H](C)CCC[C@H]2C)sc1C#CCO ZINC000149852467 186053138 /nfs/dbraw/zinc/05/31/38/186053138.db2.gz HGBPDODWSRARIG-CHWSQXEVSA-N 0 0 306.431 2.308 10 30 DEEERN O=C(NCc1sccc1C#CCO)c1cccc(F)c1F ZINC000148530554 186045321 /nfs/dbraw/zinc/04/53/21/186045321.db2.gz CKGPUMHARFQLPM-UHFFFAOYSA-N 0 0 307.321 2.300 10 30 DEEERN CC1CCN(C(=O)NCc2sccc2C#CCCO)CC1 ZINC000148688598 186045624 /nfs/dbraw/zinc/04/56/24/186045624.db2.gz HKCCCWJVIRXEIP-UHFFFAOYSA-N 0 0 306.431 2.424 10 30 DEEERN C=C(C)[C@@H](CO)N1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000616879685 362957078 /nfs/dbraw/zinc/95/70/78/362957078.db2.gz JBFYIGNKQCRNDR-CHWSQXEVSA-N 0 0 310.419 2.394 10 30 DEEERN C#CCCCCNC(=O)CN1C(=O)CSc2ccccc21 ZINC000155827381 186116102 /nfs/dbraw/zinc/11/61/02/186116102.db2.gz TXFAOKPHMQZAPH-UHFFFAOYSA-N 0 0 302.399 2.045 10 30 DEEERN CC#CCCCC(=O)N[C@H](C1CCOCC1)C1(CO)CCC1 ZINC000616910006 362960250 /nfs/dbraw/zinc/96/02/50/362960250.db2.gz CIFZUQSEUQENRU-QGZVFWFLSA-N 0 0 307.434 2.254 10 30 DEEERN C#CCC(CC#C)C(=O)NCC(=O)Nc1ccc(Cl)cc1 ZINC000277264738 213405318 /nfs/dbraw/zinc/40/53/18/213405318.db2.gz AUYHYHZRCCOKKL-UHFFFAOYSA-N 0 0 302.761 2.058 10 30 DEEERN C=CCNC(=O)c1ccc(N2CC[C@H](C(C)(C)C)[C@H](O)C2)nc1 ZINC000273326417 186429150 /nfs/dbraw/zinc/42/91/50/186429150.db2.gz QEXRKCWBXPNNBV-LSDHHAIUSA-N 0 0 317.433 2.231 10 30 DEEERN C=C(C)CN(CC)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000278412044 186486457 /nfs/dbraw/zinc/48/64/57/186486457.db2.gz QBKSHKMZLWRUSR-OAHLLOKOSA-N 0 0 319.453 2.305 10 30 DEEERN C=CCNC(=O)[C@H](C)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000171622375 197954696 /nfs/dbraw/zinc/95/46/96/197954696.db2.gz ARTLSWBEIGWMPY-NSHDSACASA-N 0 0 301.365 2.356 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1nc(C2CC2)nn1C ZINC000617043793 363007857 /nfs/dbraw/zinc/00/78/57/363007857.db2.gz FABROCUGPBGUEM-JSGCOSHPSA-N 0 0 302.422 2.486 10 30 DEEERN CC(=O)N1CCC[C@@H](C(=O)N[C@H](C#N)c2ccccc2Cl)C1 ZINC000172027506 198028615 /nfs/dbraw/zinc/02/86/15/198028615.db2.gz PMSJBKGUQLCPHP-IUODEOHRSA-N 0 0 319.792 2.279 10 30 DEEERN C=C(C)[C@@H](CC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)OCC ZINC000617497229 363156480 /nfs/dbraw/zinc/15/64/80/363156480.db2.gz PDRREIWMFLHUKY-GOEBONIOSA-N 0 0 316.401 2.062 10 30 DEEERN C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(C)C1=O ZINC000296073414 539851358 /nfs/dbraw/zinc/85/13/58/539851358.db2.gz CBXJDOLVESJDBW-MRXNPFEDSA-N 0 0 300.402 2.460 10 30 DEEERN Cc1cc([C@H](C)NC(=O)N2C[C@@H]3COC[C@H](C2)O3)ccc1F ZINC000328743739 539910630 /nfs/dbraw/zinc/91/06/30/539910630.db2.gz ONEZCCDDGPCGCD-FPMFFAJLSA-N 0 0 308.353 2.209 10 30 DEEERN C=CCn1c(C2CC2)nnc1N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000328778464 539910646 /nfs/dbraw/zinc/91/06/46/539910646.db2.gz GFFMYEZPGZSOFD-RHSMWYFYSA-N 0 0 302.422 2.473 10 30 DEEERN CC(=O)N1CCC[C@H](C(=O)Nc2ccc3nc(C)cn3c2)C1 ZINC000328799260 539911271 /nfs/dbraw/zinc/91/12/71/539911271.db2.gz XMLSSFLRFWKXRT-ZDUSSCGKSA-N 0 0 300.362 2.489 10 30 DEEERN C[C@H](NC(=O)N1CCO[C@@]2(CCCOC2)C1)c1cncc(F)c1 ZINC000329303406 539917853 /nfs/dbraw/zinc/91/78/53/539917853.db2.gz WUVQGMSVHPEOOE-LRDDRELGSA-N 0 0 323.368 2.077 10 30 DEEERN C=CCN(C(=O)C[C@@H](NC(C)=O)c1ccccc1)[C@H](C)COC ZINC000617575053 363192916 /nfs/dbraw/zinc/19/29/16/363192916.db2.gz OSQTZYLGSNVUQJ-RHSMWYFYSA-N 0 0 318.417 2.303 10 30 DEEERN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000329207505 539915407 /nfs/dbraw/zinc/91/54/07/539915407.db2.gz XSHCZHORSQDMAH-CQJMVSDSSA-N 0 0 321.421 2.109 10 30 DEEERN CNC(=O)[C@@H]1CCCN1C(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC000329410382 539920297 /nfs/dbraw/zinc/92/02/97/539920297.db2.gz BUIWGVKCJDQHRX-FZMZJTMJSA-N 0 0 304.394 2.353 10 30 DEEERN C[C@H](CNC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)N1CCOCC1 ZINC000329803906 539930192 /nfs/dbraw/zinc/93/01/92/539930192.db2.gz JYYFIEGCQMDXNW-FXUDXRNXSA-N 0 0 309.454 2.180 10 30 DEEERN CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCO[C@@H]2c2cccnc2)C1 ZINC000330061859 539933057 /nfs/dbraw/zinc/93/30/57/539933057.db2.gz OPVVPIBEQRTBHW-OWCLPIDISA-N 0 0 317.389 2.127 10 30 DEEERN N#CC1(c2ccc(C(=O)N3C[C@@H]4CC[C@@H](O)C[C@@H]4C3)cc2)CC1 ZINC000333274940 539954216 /nfs/dbraw/zinc/95/42/16/539954216.db2.gz LEVRNSBZBPZHJR-ZMSDIMECSA-N 0 0 310.397 2.475 10 30 DEEERN C=CC[C@H](CO)CNC(=O)Nc1ncc(C(F)(F)F)s1 ZINC000338457730 539983294 /nfs/dbraw/zinc/98/32/94/539983294.db2.gz PKDMKAJCDYEVOY-ZETCQYMHSA-N 0 0 309.313 2.468 10 30 DEEERN C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCS[C@@H](C)C1 ZINC000338810511 539984170 /nfs/dbraw/zinc/98/41/70/539984170.db2.gz NOPFPIUTZFUBND-STQMWFEESA-N 0 0 308.451 2.300 10 30 DEEERN CN1CCN(C(=O)N[C@H]2CCCCC23CCCC3)C[C@@H]1C#N ZINC000332869496 282903193 /nfs/dbraw/zinc/90/31/93/282903193.db2.gz LNFGYJRORVBHRH-GJZGRUSLSA-N 0 0 304.438 2.339 10 30 DEEERN C=C[C@H](CC(=O)N1CCC[C@](CO)(OC)C1)c1ccccc1 ZINC000617799909 363268996 /nfs/dbraw/zinc/26/89/96/363268996.db2.gz FJIBQFDEZIBYFU-QAPCUYQASA-N 0 0 303.402 2.346 10 30 DEEERN C=C1C(=O)O[C@@H]2C[C@H](C)C([C@H](CC(C)=O)OC(C)=O)=CC[C@@H]12 ZINC000001722668 353990598 /nfs/dbraw/zinc/99/05/98/353990598.db2.gz DPSCQKGSAHTWSP-VMSHGPMGSA-N 0 0 306.358 2.351 10 30 DEEERN C=CC(C)(C)CCNC(=O)Nc1cccnc1-n1cncn1 ZINC000626344051 366156350 /nfs/dbraw/zinc/15/63/50/366156350.db2.gz YCLAEMUACIYBHX-UHFFFAOYSA-N 0 0 300.366 2.386 10 30 DEEERN C=CCOCCNC(=O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC000626403954 366175100 /nfs/dbraw/zinc/17/51/00/366175100.db2.gz KHIZYTNTQNBGQO-UHFFFAOYSA-N 0 0 317.311 2.171 10 30 DEEERN COc1ccc(C#N)cc1NC(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000050089799 354367019 /nfs/dbraw/zinc/36/70/19/354367019.db2.gz MLIUFWCKXLUOCI-UKRRQHHQSA-N 0 0 301.346 2.352 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)NC(=O)c1cccs1 ZINC000063851571 354659373 /nfs/dbraw/zinc/65/93/73/354659373.db2.gz YIHABYHNMOMDPS-VIFPVBQESA-N 0 0 320.336 2.443 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(NC(N)=O)cc1 ZINC000069137478 354849987 /nfs/dbraw/zinc/84/99/87/354849987.db2.gz OVDVRHFGXFCGIB-UHFFFAOYSA-N 0 0 301.268 2.368 10 30 DEEERN C=CCC1(NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)CCOCC1 ZINC000618251174 363432293 /nfs/dbraw/zinc/43/22/93/363432293.db2.gz BMYSTXDCCAOBGH-UHFFFAOYSA-N 0 0 314.389 2.270 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2ccc(N(C)C(C)=O)nc2)C1 ZINC000626590199 366235075 /nfs/dbraw/zinc/23/50/75/366235075.db2.gz VEHLVPBHPHCIGE-ZDUSSCGKSA-N 0 0 302.378 2.494 10 30 DEEERN C=CCOc1ccc(-c2nc(CC(=O)N3CCCC3)no2)cc1 ZINC000350711339 540044690 /nfs/dbraw/zinc/04/46/90/540044690.db2.gz OPXLOBFYYYCINF-UHFFFAOYSA-N 0 0 313.357 2.466 10 30 DEEERN C=CCSCCNC(=O)NCc1nccn1CC(F)(F)F ZINC000076078105 355124508 /nfs/dbraw/zinc/12/45/08/355124508.db2.gz JNEHTKUFKNBKTM-UHFFFAOYSA-N 0 0 322.356 2.164 10 30 DEEERN C=CCCCN(C)C(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000076650477 355160028 /nfs/dbraw/zinc/16/00/28/355160028.db2.gz NBGYVGSDGLBWHY-UHFFFAOYSA-N 0 0 315.461 2.229 10 30 DEEERN N#Cc1cccc(C(=O)NCCN2C(=O)CCc3ccccc32)c1 ZINC000074840476 191370920 /nfs/dbraw/zinc/37/09/20/191370920.db2.gz IJFQRLOPRMOPBN-UHFFFAOYSA-N 0 0 319.364 2.267 10 30 DEEERN Cn1cc(N2CCC[C@H](Nc3snc(Cl)c3C#N)C2)cn1 ZINC000078367851 355257255 /nfs/dbraw/zinc/25/72/55/355257255.db2.gz WPVLEHLSDQYBCW-VIFPVBQESA-N 0 0 322.825 2.483 10 30 DEEERN N#Cc1ccc(NCC(=O)N2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000079987146 355340326 /nfs/dbraw/zinc/34/03/26/355340326.db2.gz DXUNTMXCJWLNOX-GOSISDBHSA-N 0 0 313.401 2.389 10 30 DEEERN N#Cc1cc(N2CCC(N3CCNC3=O)CC2)c2ccccc2n1 ZINC000301366780 283101565 /nfs/dbraw/zinc/10/15/65/283101565.db2.gz NVYIJRBQOIKRAY-UHFFFAOYSA-N 0 0 321.384 2.100 10 30 DEEERN C=CCCCN(C)C(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000135086184 355864178 /nfs/dbraw/zinc/86/41/78/355864178.db2.gz URDQNYGFMMIHAD-UHFFFAOYSA-N 0 0 311.385 2.335 10 30 DEEERN C=CCCO[C@H](C)C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000078598865 191892494 /nfs/dbraw/zinc/89/24/94/191892494.db2.gz ZORWHUKDMUSDBT-GDBMZVCRSA-N 0 0 316.401 2.232 10 30 DEEERN CC[C@@H](CSC)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000181012672 356070497 /nfs/dbraw/zinc/07/04/97/356070497.db2.gz KSOZANUVVITLBD-ZDUSSCGKSA-N 0 0 307.419 2.378 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@H]1CCCc2cc(OC)ccc21 ZINC000184200647 356187466 /nfs/dbraw/zinc/18/74/66/356187466.db2.gz ZFDYCDZYQUQKBR-HUUCEWRRSA-N 0 0 318.417 2.351 10 30 DEEERN C=CC[C@H](C(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1)c1ccccc1 ZINC000618324930 363460100 /nfs/dbraw/zinc/46/01/00/363460100.db2.gz BILFWQCKJTUFOL-BPUTZDHNSA-N 0 0 321.442 2.428 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000081032056 192217633 /nfs/dbraw/zinc/21/76/33/192217633.db2.gz QUPJKNUZIIEDTJ-UHFFFAOYSA-N 0 0 305.341 2.394 10 30 DEEERN N#Cc1cc(Br)cnc1I ZINC000306164859 356402580 /nfs/dbraw/zinc/40/25/80/356402580.db2.gz AOVGYLFWLJYBKX-UHFFFAOYSA-N 0 0 308.904 2.320 10 30 DEEERN CCN(O)C(=O)c1cnc(Br)c(Br)c1 ZINC000306561800 356404822 /nfs/dbraw/zinc/40/48/22/356404822.db2.gz BZZWDCAPNHBDJO-UHFFFAOYSA-N 0 0 323.972 2.458 10 30 DEEERN [NH3+]CC#Cc1ccc(Cl)cc1N1C(=O)c2ccccc2C1=O ZINC000306720738 356405109 /nfs/dbraw/zinc/40/51/09/356405109.db2.gz CZPIYHPWEPIGDT-UHFFFAOYSA-N 0 0 310.740 2.451 10 30 DEEERN COC(=O)c1cc(C#N)c(I)cc1F ZINC000307010037 356405816 /nfs/dbraw/zinc/40/58/16/356405816.db2.gz NMNBVBNAGWWYRG-UHFFFAOYSA-N 0 0 305.046 2.089 10 30 DEEERN Cc1nc2c(s1)CCC[C@H]2CNC(=O)NCc1ccnn1C ZINC000328616423 356460429 /nfs/dbraw/zinc/46/04/29/356460429.db2.gz BQLUJYXCHSZSAG-NSHDSACASA-N 0 0 319.434 2.309 10 30 DEEERN CN(C[C@@H]1CCn2ccnc2C1)C(=O)C1(C#N)CCCCC1 ZINC000328620332 356461975 /nfs/dbraw/zinc/46/19/75/356461975.db2.gz GXPCUXUVRZGJNH-CQSZACIVSA-N 0 0 300.406 2.378 10 30 DEEERN CC(=O)N(C[C@@H]1CCCN1C(=O)NCc1cscn1)C1CC1 ZINC000328635544 356465129 /nfs/dbraw/zinc/46/51/29/356465129.db2.gz NJYLLORPJUFHIV-AWEZNQCLSA-N 0 0 322.434 2.032 10 30 DEEERN O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)C1=COCCC1 ZINC000328656187 356466700 /nfs/dbraw/zinc/46/67/00/356466700.db2.gz ZCCWFJKDFRDTOP-STQMWFEESA-N 0 0 306.341 2.044 10 30 DEEERN COc1cc(CNC(=O)c2cc(C#N)cn2C)c2ccccc2n1 ZINC000081549025 192289212 /nfs/dbraw/zinc/28/92/12/192289212.db2.gz RKLXTQFUOORSEI-UHFFFAOYSA-N 0 0 320.352 2.384 10 30 DEEERN CCNc1ncc(S(=O)(=O)N(C)[C@H](C)CC#N)cc1Cl ZINC000081695457 192313869 /nfs/dbraw/zinc/31/38/69/192313869.db2.gz LGBKSIBTCQWIOX-SECBINFHSA-N 0 0 316.814 2.089 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(NC(=O)C(C)(C)C)nc1 ZINC000618526297 363517492 /nfs/dbraw/zinc/51/74/92/363517492.db2.gz RPENJFICSDFHCR-UHFFFAOYSA-N 0 0 319.405 2.389 10 30 DEEERN Cc1ncc(S(=O)(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)cc1C#N ZINC000387339053 356702721 /nfs/dbraw/zinc/70/27/21/356702721.db2.gz UYCNYJWDNJEWBN-JRPNMDOOSA-N 0 0 307.419 2.365 10 30 DEEERN Cc1ncc(S(=O)(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1C#N ZINC000387355171 356703398 /nfs/dbraw/zinc/70/33/98/356703398.db2.gz XADNJDGBAUHDGT-FIXISWKDSA-N 0 0 307.419 2.365 10 30 DEEERN N#CCC1(CNC(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000567174865 356748091 /nfs/dbraw/zinc/74/80/91/356748091.db2.gz CGGVEBKLQDEIHR-UHFFFAOYSA-N 0 0 314.389 2.339 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@](C)(CO)C1CCCCC1 ZINC000578188748 356775176 /nfs/dbraw/zinc/77/51/76/356775176.db2.gz KAWVSMMFENOOOQ-QRTARXTBSA-N 0 0 310.438 2.208 10 30 DEEERN C=CCCOCCNC(=O)N[C@@H](c1ccccc1F)[C@H](C)O ZINC000578657193 356852463 /nfs/dbraw/zinc/85/24/63/356852463.db2.gz FFGBPAAVIPLFOS-SWLSCSKDSA-N 0 0 310.369 2.140 10 30 DEEERN C=CCCCCCNC(=O)NC1CCN(c2cccnn2)CC1 ZINC000579491748 356985225 /nfs/dbraw/zinc/98/52/25/356985225.db2.gz LTJQWARFVVUWCQ-UHFFFAOYSA-N 0 0 317.437 2.491 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc([S@@](C)=O)cc1 ZINC000618674015 363570325 /nfs/dbraw/zinc/57/03/25/363570325.db2.gz VZZDBLHEFBSIJP-VTJXTGGHSA-N 0 0 307.415 2.021 10 30 DEEERN N#Cc1cnc2c(F)c(F)c(F)cc2c1N1C[C@H](O)C2(CC2)C1 ZINC000376433557 283239338 /nfs/dbraw/zinc/23/93/38/283239338.db2.gz HXYLUWGMDFGNLQ-NSHDSACASA-N 0 0 319.286 2.485 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCC(c2nc(N(C)C)n[nH]2)CC1 ZINC000580780455 357080700 /nfs/dbraw/zinc/08/07/00/357080700.db2.gz GNSTYATTXHSOET-GFCCVEGCSA-N 0 0 305.426 2.179 10 30 DEEERN C=CCn1c(N2CCO[C@](C)(CC)C2)nnc1[C@@]1(C)CCCO1 ZINC000581708615 357233982 /nfs/dbraw/zinc/23/39/82/357233982.db2.gz ZVGIZAVJHPKADO-IAGOWNOFSA-N 0 0 320.437 2.495 10 30 DEEERN C=CCCOCC(=O)N[C@@H](c1nnc2ccccn21)C(C)C ZINC000586806422 357372459 /nfs/dbraw/zinc/37/24/59/357372459.db2.gz RZIDSRXYVOZHMK-OAHLLOKOSA-N 0 0 302.378 2.135 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1ccc(OC)cc1C ZINC000584791092 357311726 /nfs/dbraw/zinc/31/17/26/357311726.db2.gz ZWAAEWIPOAZKOI-UHFFFAOYSA-N 0 0 318.417 2.482 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccn2ccnc2c1 ZINC000584850515 357321775 /nfs/dbraw/zinc/32/17/75/357321775.db2.gz NILVPUGIPRKZQI-UHFFFAOYSA-N 0 0 300.362 2.135 10 30 DEEERN CC[C@@H]1CCC[C@H]1NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586862540 357377789 /nfs/dbraw/zinc/37/77/89/357377789.db2.gz ZTNIWFIXSNPKKR-IUODEOHRSA-N 0 0 317.364 2.008 10 30 DEEERN CCC[C@]1(NC(=O)NCc2ccc(C#N)cc2F)CCOC1 ZINC000588339634 357408425 /nfs/dbraw/zinc/40/84/25/357408425.db2.gz JASILXXTAIUBCW-INIZCTEOSA-N 0 0 305.353 2.456 10 30 DEEERN N#Cc1cc(Br)cn(CC[C@H]2CCCCO2)c1=O ZINC000589258473 357459320 /nfs/dbraw/zinc/45/93/20/357459320.db2.gz GJFGDQOKOYFSID-GFCCVEGCSA-N 0 0 311.179 2.442 10 30 DEEERN C=CCN(CCC#N)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000590050691 357515350 /nfs/dbraw/zinc/51/53/50/357515350.db2.gz FXIKODZJWZTXTM-UHFFFAOYSA-N 0 0 303.318 2.283 10 30 DEEERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(c2ncc(C#N)cc2Cl)C1 ZINC000591629065 357745878 /nfs/dbraw/zinc/74/58/78/357745878.db2.gz CMTRGJRBWOEJMY-PWSUYJOCSA-N 0 0 303.753 2.296 10 30 DEEERN Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H]1c1ccc(N(C)C)nn1 ZINC000591657583 357748896 /nfs/dbraw/zinc/74/88/96/357748896.db2.gz FOOWCNIPAXOYCF-HNNXBMFYSA-N 0 0 324.388 2.028 10 30 DEEERN CC(=O)c1ccc(S(=O)(=O)N(C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000632665185 540277384 /nfs/dbraw/zinc/27/73/84/540277384.db2.gz HAPMHCNUXFRQSM-ZFWWWQNUSA-N 0 0 306.387 2.202 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(C(=O)OC)c1C ZINC000591862387 357769559 /nfs/dbraw/zinc/76/95/59/357769559.db2.gz BPUZYDVLUSNXJM-WFASDCNBSA-N 0 0 318.373 2.494 10 30 DEEERN CC#CC[C@H](CO)NC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000591976349 357808837 /nfs/dbraw/zinc/80/88/37/357808837.db2.gz RRQHTVPEJOZWKN-UKRRQHHQSA-N 0 0 319.361 2.119 10 30 DEEERN CC#CCCNC(=O)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000592010979 357815212 /nfs/dbraw/zinc/81/52/12/357815212.db2.gz QMMMEQQQWMPLNQ-ZIAGYGMSSA-N 0 0 308.422 2.409 10 30 DEEERN COC(=O)C1CCC(C(=O)NCc2cccc(C#N)c2)CC1 ZINC000179459766 199039584 /nfs/dbraw/zinc/03/95/84/199039584.db2.gz SOEBWNJBWDGACO-UHFFFAOYSA-N 0 0 300.358 2.154 10 30 DEEERN C=CCCN(C)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000276675476 213039671 /nfs/dbraw/zinc/03/96/71/213039671.db2.gz RVVJUYFSDDVWKL-OAHLLOKOSA-N 0 0 319.380 2.144 10 30 DEEERN C=CCCn1cc(C[S@](=O)[C@@H](C)c2nc(C(C)C)no2)nn1 ZINC000593939665 358174762 /nfs/dbraw/zinc/17/47/62/358174762.db2.gz ZPBNSJUYMCGMDZ-SAHAZLINSA-N 0 0 323.422 2.371 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ncc(C(=O)OC)cc1Cl ZINC000594028243 358193109 /nfs/dbraw/zinc/19/31/09/358193109.db2.gz VNPNKMJEQJWMQX-KOLCDFICSA-N 0 0 310.737 2.051 10 30 DEEERN C=CCCSCCNC(=O)NCc1nccc(OC)c1F ZINC000595723562 358533274 /nfs/dbraw/zinc/53/32/74/358533274.db2.gz RMDYDZLCPHHSHC-UHFFFAOYSA-N 0 0 313.398 2.338 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCC(CC(=O)N(C)C)CC1 ZINC000181151842 199257434 /nfs/dbraw/zinc/25/74/34/199257434.db2.gz ZGASWVFFOKIRPA-UHFFFAOYSA-N 0 0 313.401 2.197 10 30 DEEERN CO[C@](C)(CNc1cnc(C#N)cn1)COCc1ccccc1 ZINC000596421557 358682910 /nfs/dbraw/zinc/68/29/10/358682910.db2.gz LYGHEDVVWBVIFF-QGZVFWFLSA-N 0 0 312.373 2.382 10 30 DEEERN Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NCc1cccc(C#N)c1 ZINC000596739824 358750003 /nfs/dbraw/zinc/75/00/03/358750003.db2.gz BOABZBYVRVQSAZ-HZPDHXFCSA-N 0 0 324.384 2.076 10 30 DEEERN C=CCOCCCNC(=O)Nc1ccc(C)c(C(=O)OC)c1 ZINC000596780010 358760279 /nfs/dbraw/zinc/76/02/79/358760279.db2.gz CMEWCWKSOIWOKR-UHFFFAOYSA-N 0 0 306.362 2.496 10 30 DEEERN C=CCOCCCNC(=O)Nc1cc(C(=O)OC)ccc1F ZINC000596681829 358739926 /nfs/dbraw/zinc/73/99/26/358739926.db2.gz LITRRXLYUMVYGK-UHFFFAOYSA-N 0 0 310.325 2.327 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(C(=O)OC)c(C)c1 ZINC000597133874 358832478 /nfs/dbraw/zinc/83/24/78/358832478.db2.gz AOMUJBOVFMTJAS-HNNXBMFYSA-N 0 0 318.373 2.191 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC(C)(C)CC#N ZINC000597342306 358893308 /nfs/dbraw/zinc/89/33/08/358893308.db2.gz MCRROXQFUDCEKR-UONOGXRCSA-N 0 0 305.422 2.294 10 30 DEEERN C=CCCOCC(=O)NCc1nc(-c2ccncc2)cs1 ZINC000597734604 358994085 /nfs/dbraw/zinc/99/40/85/358994085.db2.gz LQEZCBADJJMJFL-UHFFFAOYSA-N 0 0 303.387 2.414 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000185780159 199886602 /nfs/dbraw/zinc/88/66/02/199886602.db2.gz JNTLCUXAIWOJBH-NSHDSACASA-N 0 0 310.344 2.413 10 30 DEEERN C=CCc1cc(C(=O)N2CC(CC#N)C2)cc(OC)c1OC ZINC000598035073 359071676 /nfs/dbraw/zinc/07/16/76/359071676.db2.gz YNFNCTWXFWRPTR-UHFFFAOYSA-N 0 0 300.358 2.418 10 30 DEEERN C=CC[C@H]1CCCN(C(=O)C2(C(=O)OCC)CCOCC2)C1 ZINC000597995525 359061954 /nfs/dbraw/zinc/06/19/54/359061954.db2.gz SSZFNORUXGXXHK-AWEZNQCLSA-N 0 0 309.406 2.161 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NCc1ccc(C(=O)OC)cc1F ZINC000598347767 359172815 /nfs/dbraw/zinc/17/28/15/359172815.db2.gz YBIPFPDYKIKZNA-QGZVFWFLSA-N 0 0 323.364 2.457 10 30 DEEERN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C(F)F)C1CCCCC1 ZINC000598648187 359275864 /nfs/dbraw/zinc/27/58/64/359275864.db2.gz FFCCTMYIXCMILZ-JQWIXIFHSA-N 0 0 317.380 2.190 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@H](OC)c1cccc(Cl)c1 ZINC000186331556 199943818 /nfs/dbraw/zinc/94/38/18/199943818.db2.gz QGCMXEUTTHGNFY-KGLIPLIRSA-N 0 0 312.797 2.264 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@@]2(COC)C(=O)OC)CCCC1 ZINC000598864486 359346539 /nfs/dbraw/zinc/34/65/39/359346539.db2.gz RKVHVZLVCOUJPV-QGZVFWFLSA-N 0 0 309.406 2.304 10 30 DEEERN C=CC[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599530411 359517653 /nfs/dbraw/zinc/51/76/53/359517653.db2.gz WRMIVHVAZCRZRN-CYBMUJFWSA-N 0 0 324.402 2.267 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)OC)c2)C1 ZINC000599373837 359481481 /nfs/dbraw/zinc/48/14/81/359481481.db2.gz DRWFWXYCOMEHJH-GFCCVEGCSA-N 0 0 309.387 2.060 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2csc(C(=O)OC)c2)C1 ZINC000599373844 359481656 /nfs/dbraw/zinc/48/16/56/359481656.db2.gz DVTJUHXHUHSZSH-JTQLQIEISA-N 0 0 315.416 2.121 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2OC)C1 ZINC000599375735 359482772 /nfs/dbraw/zinc/48/27/72/359482772.db2.gz XRSNIJGUDAYMRB-LBPRGKRZSA-N 0 0 306.387 2.154 10 30 DEEERN C=CCN1CC[C@H](N(C)[C@@H](CC(C)C)C(=O)OC(C)(C)C)C1=O ZINC000599395898 359488874 /nfs/dbraw/zinc/48/88/74/359488874.db2.gz DUSIYTITMBKQSY-GJZGRUSLSA-N 0 0 324.465 2.462 10 30 DEEERN C=CCNC(=O)Nc1ccc(C(=O)OC)cc1OCC(F)F ZINC000599854387 359612796 /nfs/dbraw/zinc/61/27/96/359612796.db2.gz ABKDCZPDTVIILW-UHFFFAOYSA-N 0 0 314.288 2.425 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000187795564 200157744 /nfs/dbraw/zinc/15/77/44/200157744.db2.gz QWIHITFGPJTYIU-QGZVFWFLSA-N 0 0 318.421 2.108 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3cc[nH]n3)c2)C1 ZINC000627733463 366603808 /nfs/dbraw/zinc/60/38/08/366603808.db2.gz VMTHYLWSQMIYHB-CYBMUJFWSA-N 0 0 324.384 2.440 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cnccc2SC)C1 ZINC000627734391 366604744 /nfs/dbraw/zinc/60/47/44/366604744.db2.gz RMPDDEOMEAKLDN-LLVKDONJSA-N 0 0 305.403 2.167 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)nc2)C1 ZINC000627734921 366604859 /nfs/dbraw/zinc/60/48/59/366604859.db2.gz GWLVBOVCDILLKF-ZDUSSCGKSA-N 0 0 317.389 2.232 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(NC(C)=O)cc2)C1 ZINC000627736395 366606505 /nfs/dbraw/zinc/60/65/05/366606505.db2.gz XAEHFLCMIFHLMN-CYBMUJFWSA-N 0 0 315.373 2.008 10 30 DEEERN C=C1CC(C)(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000601193595 359959172 /nfs/dbraw/zinc/95/91/72/359959172.db2.gz LVSCMLSBLGYDHS-LBPRGKRZSA-N 0 0 316.361 2.359 10 30 DEEERN C=CC[C@H](C)NC(=O)N1CCC(c2cc(C(=O)OC)on2)CC1 ZINC000601578308 360078010 /nfs/dbraw/zinc/07/80/10/360078010.db2.gz YPVNQVKLVCMLDZ-NSHDSACASA-N 0 0 321.377 2.315 10 30 DEEERN C=CCN(C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1)c1ccccc1 ZINC000601586973 360079449 /nfs/dbraw/zinc/07/94/49/360079449.db2.gz OTLFXLYHPIOBCI-BPLDGKMQSA-N 0 0 303.358 2.172 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCOc1ccccc1OC)C(=O)OC ZINC000601771003 360140347 /nfs/dbraw/zinc/14/03/47/360140347.db2.gz HALRJLBKYRSTSC-ZDUSSCGKSA-N 0 0 321.373 2.088 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCOc1cccc(C)c1)C(=O)OC ZINC000601770796 360140466 /nfs/dbraw/zinc/14/04/66/360140466.db2.gz FLLHLZIZGXYQHR-OAHLLOKOSA-N 0 0 305.374 2.388 10 30 DEEERN C=C(C)C[C@@H](NC(=O)C[C@H](C)n1nc(C)cc1C)C(=O)OC ZINC000601776478 360143571 /nfs/dbraw/zinc/14/35/71/360143571.db2.gz APXORUVDOJSOQT-UONOGXRCSA-N 0 0 307.394 2.075 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(=O)OC ZINC000601776979 360143758 /nfs/dbraw/zinc/14/37/58/360143758.db2.gz DHSFSVWSQDDGRD-OCCSQVGLSA-N 0 0 323.776 2.268 10 30 DEEERN C=C(C)C[C@H](NC(=O)CCc1cccc(OC)c1)C(=O)OC ZINC000601777273 360143827 /nfs/dbraw/zinc/14/38/27/360143827.db2.gz HAPPHBMDCPZYLX-HNNXBMFYSA-N 0 0 305.374 2.252 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1oc2c(c1C)C(=O)CCC2)C(=O)OC ZINC000601779262 360144712 /nfs/dbraw/zinc/14/47/12/360144712.db2.gz SJIHXFUJONKTMF-LLVKDONJSA-N 0 0 319.357 2.345 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1ccc(NC(C)C)nc1)C(=O)OC ZINC000601781037 360145721 /nfs/dbraw/zinc/14/57/21/360145721.db2.gz GDKREVABXFOTKT-ZDUSSCGKSA-N 0 0 305.378 2.140 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H]1CCc2ccccc2C1)C(=O)OC ZINC000601783709 360147775 /nfs/dbraw/zinc/14/77/75/360147775.db2.gz DDNWLMFPZYPXFH-HOTGVXAUSA-N 0 0 301.386 2.416 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(C(F)(F)F)[nH]1)C(=O)OC ZINC000601784942 360148813 /nfs/dbraw/zinc/14/88/13/360148813.db2.gz OFRGNHKONIYLCV-SECBINFHSA-N 0 0 304.268 2.271 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cccc2c1O[C@@H](C)C2)C(=O)OC ZINC000601785723 360148881 /nfs/dbraw/zinc/14/88/81/360148881.db2.gz UBLSMVFSLMDEDH-SMDDNHRTSA-N 0 0 303.358 2.248 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)C(=O)OC ZINC000601786232 360149431 /nfs/dbraw/zinc/14/94/31/360149431.db2.gz XIWMPGBCLJRXIV-XJKSGUPXSA-N 0 0 314.385 2.361 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H]1CCc2cc(F)ccc21)C(=O)OC ZINC000601786383 360149651 /nfs/dbraw/zinc/14/96/51/360149651.db2.gz XSABTWLLIOJRKS-LSDHHAIUSA-N 0 0 305.349 2.480 10 30 DEEERN C=C(C)C[C@H](NC(=O)C[C@H](C)c1c(C)n[nH]c1C)C(=O)OC ZINC000601788043 360150455 /nfs/dbraw/zinc/15/04/55/360150455.db2.gz OXJRMHOQZAAKCV-GWCFXTLKSA-N 0 0 307.394 2.144 10 30 DEEERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000601806482 360155757 /nfs/dbraw/zinc/15/57/57/360155757.db2.gz FLSUSBOKDGQNFY-VYDXJSESSA-N 0 0 311.385 2.115 10 30 DEEERN C=C(C)[C@@H](CO)N[C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000602937007 360634864 /nfs/dbraw/zinc/63/48/64/360634864.db2.gz HTMNRCHHULHCKS-HZPDHXFCSA-N 0 0 305.418 2.466 10 30 DEEERN C=CCCC[C@H](C)n1cc(CN(C)c2cnc(C#N)cn2)nn1 ZINC000603264630 360769808 /nfs/dbraw/zinc/76/98/08/360769808.db2.gz JXZQLHUXNMSDHP-ZDUSSCGKSA-N 0 0 311.393 2.493 10 30 DEEERN CCc1nn(C[C@H](O)CC2CCCC2)c(=O)c(C#N)c1CC ZINC000191343061 200676690 /nfs/dbraw/zinc/67/66/90/200676690.db2.gz NCZFUUJIEYWQPE-CYBMUJFWSA-N 0 0 303.406 2.181 10 30 DEEERN Cc1nn(C)c(C)c1[C@H](C)C(=O)NCc1ccc(C#N)cc1F ZINC000609228389 361290603 /nfs/dbraw/zinc/29/06/03/361290603.db2.gz CZQCJTXBIAAJMO-JTQLQIEISA-N 0 0 314.364 2.468 10 30 DEEERN CCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccnc(C#N)c1 ZINC000193192658 201006138 /nfs/dbraw/zinc/00/61/38/201006138.db2.gz BCRUJGNIDUXKKP-HNNXBMFYSA-N 0 0 323.352 2.255 10 30 DEEERN CO[C@]1(C)CCCN(C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000619362983 363773365 /nfs/dbraw/zinc/77/33/65/363773365.db2.gz QEQVMSQHIUZGTO-MRXNPFEDSA-N 0 0 305.353 2.408 10 30 DEEERN CC(C)C[C@H](NC(=O)c1ccnc(C#N)c1)C(=O)OC(C)(C)C ZINC000193486193 201061587 /nfs/dbraw/zinc/06/15/87/201061587.db2.gz HHZDSTSHNLEPKM-AWEZNQCLSA-N 0 0 317.389 2.439 10 30 DEEERN N#Cc1cc(C(=O)O[C@H]([C@@H]2CCCO2)C(F)(F)F)ccn1 ZINC000193676314 201100670 /nfs/dbraw/zinc/10/06/70/201100670.db2.gz WQDLSCWYPJGZLT-WDEREUQCSA-N 0 0 300.236 2.220 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NC[C@H](n1cccn1)C(F)(F)F ZINC000628330788 366814936 /nfs/dbraw/zinc/81/49/36/366814936.db2.gz QBEUZSLVRWLXAJ-AAEUAGOBSA-N 0 0 319.327 2.332 10 30 DEEERN N#Cc1ccc(CNC(=O)N2CC[C@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000611004418 361511877 /nfs/dbraw/zinc/51/18/77/361511877.db2.gz IABGMMBJOFLAMS-LSDHHAIUSA-N 0 0 317.364 2.265 10 30 DEEERN C=CCOCCNC(=O)N(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000611546467 361626908 /nfs/dbraw/zinc/62/69/08/361626908.db2.gz FURWDJUVCDBGRH-DMZKTXOQSA-N 0 0 324.446 2.329 10 30 DEEERN C=CCOCCNC(=O)NCCSCc1ccccc1C#N ZINC000611543075 361625584 /nfs/dbraw/zinc/62/55/84/361625584.db2.gz MIJLTODMTPHPAJ-UHFFFAOYSA-N 0 0 319.430 2.293 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000628360427 366827846 /nfs/dbraw/zinc/82/78/46/366827846.db2.gz SUCUVNQLNIRNNN-FUHWJXTLSA-N 0 0 303.402 2.473 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H](C)CCOC ZINC000611968251 361715146 /nfs/dbraw/zinc/71/51/46/361715146.db2.gz UZZKDAJXGDDEEV-ZNMIVQPWSA-N 0 0 310.438 2.026 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000619557346 363825277 /nfs/dbraw/zinc/82/52/77/363825277.db2.gz HCTAJJKZNUXSOK-DOMZBBRYSA-N 0 0 321.348 2.323 10 30 DEEERN Cc1cccc(N2CCN(C(=O)c3ccc(C#N)n3C)CC2)c1C ZINC000448568056 239387678 /nfs/dbraw/zinc/38/76/78/239387678.db2.gz DAFZLSUHJMJQRX-UHFFFAOYSA-N 0 0 322.412 2.476 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1cccc(OC)c1 ZINC000620317181 364014910 /nfs/dbraw/zinc/01/49/10/364014910.db2.gz JMZKLYFOPWYNQD-GASCZTMLSA-N 0 0 314.385 2.135 10 30 DEEERN C=CCCn1cc(C(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)nn1 ZINC000620545935 364077451 /nfs/dbraw/zinc/07/74/51/364077451.db2.gz KCQYXLXCYWBCGN-VNQPRFMTSA-N 0 0 312.348 2.061 10 30 DEEERN C=C(CNC(=O)[C@@H]1C[C@@H]1C(C)C)CNC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000620749891 364141370 /nfs/dbraw/zinc/14/13/70/364141370.db2.gz QWTWNDWJHAUOQA-KLHDSHLOSA-N 0 0 306.450 2.359 10 30 DEEERN C=C[C@](C)(O)CC(=O)N[C@H]1CCc2ccccc2-n2ccnc21 ZINC000621174867 364291611 /nfs/dbraw/zinc/29/16/11/364291611.db2.gz DOTJGIXBYBIWGQ-KSSFIOAISA-N 0 0 311.385 2.303 10 30 DEEERN C=C[C@](C)(O)CC(=O)N[C@@H]1CCc2ccccc2-n2ccnc21 ZINC000621174866 364291642 /nfs/dbraw/zinc/29/16/42/364291642.db2.gz DOTJGIXBYBIWGQ-KDOFPFPSSA-N 0 0 311.385 2.303 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C2CCN(c3cnccn3)CC2)C1 ZINC000628485425 366863943 /nfs/dbraw/zinc/86/39/43/366863943.db2.gz LDNOWKJQPQUSSH-AWEZNQCLSA-N 0 0 300.406 2.118 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000628484049 366864027 /nfs/dbraw/zinc/86/40/27/366864027.db2.gz CRGFQAXNWQWDNL-CYBMUJFWSA-N 0 0 314.385 2.375 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CCc2c(C)nc3ncnn3c2C)C1 ZINC000628482941 366864108 /nfs/dbraw/zinc/86/41/08/366864108.db2.gz BZLPRPMIFOEDNQ-AWEZNQCLSA-N 0 0 313.405 2.098 10 30 DEEERN C=CC[C@H]1CCN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000628488740 366865331 /nfs/dbraw/zinc/86/53/31/366865331.db2.gz HDYSFGJMARWJCU-ZDUSSCGKSA-N 0 0 311.385 2.322 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2ccnc(O[C@H]3CCOC3)c2)C1 ZINC000628491461 366865438 /nfs/dbraw/zinc/86/54/38/366865438.db2.gz YSUDMQJWHGFALY-ZFWWWQNUSA-N 0 0 302.374 2.288 10 30 DEEERN C=CC[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000628491596 366866633 /nfs/dbraw/zinc/86/66/33/366866633.db2.gz CCNDFPVPDZOYOZ-ZFWWWQNUSA-N 0 0 319.426 2.372 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(F)c(OC)cc1OC ZINC000622824211 364804309 /nfs/dbraw/zinc/80/43/09/364804309.db2.gz VJMJUIGWQGRZHF-ZDUSSCGKSA-N 0 0 324.352 2.252 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCOc2ccccc2[C@@H]1C ZINC000622988443 364848479 /nfs/dbraw/zinc/84/84/79/364848479.db2.gz GSWUTNFDPSMEBM-BBRMVZONSA-N 0 0 316.401 2.440 10 30 DEEERN C=CCCn1cc(CN2CCc3nc(C(C)C)ncc3C2)nn1 ZINC000623244537 364943442 /nfs/dbraw/zinc/94/34/42/364943442.db2.gz UJPRLBHGQUXZDP-UHFFFAOYSA-N 0 0 312.421 2.326 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCc2nc(C(C)C)ncc2C1 ZINC000623253062 364945890 /nfs/dbraw/zinc/94/58/90/364945890.db2.gz NKSSRMFVSVMJNX-ZDUSSCGKSA-N 0 0 303.406 2.466 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1Cc2ccccc2NC(=O)[C@H]1C ZINC000623288978 364967970 /nfs/dbraw/zinc/96/79/70/364967970.db2.gz JDWBWAPVEZUAAC-CQSZACIVSA-N 0 0 315.417 2.254 10 30 DEEERN C=CCCn1cc(CN2Cc3ccccc3NC(=O)[C@H]2C)nn1 ZINC000623291065 364968965 /nfs/dbraw/zinc/96/89/65/364968965.db2.gz ARVKHBARDJLWOP-CYBMUJFWSA-N 0 0 311.389 2.197 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)C1 ZINC000623547653 365072944 /nfs/dbraw/zinc/07/29/44/365072944.db2.gz WRVBAMINRZHMOV-RRFJBIMHSA-N 0 0 307.438 2.384 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000623770582 365168110 /nfs/dbraw/zinc/16/81/10/365168110.db2.gz OOKIBOYAMHUSBH-ZBFHGGJFSA-N 0 0 319.449 2.385 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](OCC)[C@@]23CCCO3)C1 ZINC000623886054 365210123 /nfs/dbraw/zinc/21/01/23/365210123.db2.gz PWEGHBSAGMREMC-KCYZZUKISA-N 0 0 308.422 2.321 10 30 DEEERN C=C(C)CNC(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000623908415 365216205 /nfs/dbraw/zinc/21/62/05/365216205.db2.gz AAKDZBPMMCSLQN-HNNXBMFYSA-N 0 0 323.824 2.421 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCc2cccc(S(C)(=O)=O)c2)C1 ZINC000624156731 365311650 /nfs/dbraw/zinc/31/16/50/365311650.db2.gz LGOBDMBIWAXHSV-ZDUSSCGKSA-N 0 0 322.430 2.198 10 30 DEEERN CSC1(C#N)CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000091474941 193061434 /nfs/dbraw/zinc/06/14/34/193061434.db2.gz HNPZFKZVSOERJF-UHFFFAOYSA-N 0 0 314.407 2.236 10 30 DEEERN CSC1(C#N)CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC000091473229 193061579 /nfs/dbraw/zinc/06/15/79/193061579.db2.gz KQAFCFVFKIKSNI-UHFFFAOYSA-N 0 0 310.444 2.405 10 30 DEEERN Cc1ccc2cc(CN3CCNC[C@H]3C#N)c(Cl)nc2c1 ZINC000091748796 193101371 /nfs/dbraw/zinc/10/13/71/193101371.db2.gz MLKAYWSUWXLDIA-CQSZACIVSA-N 0 0 300.793 2.494 10 30 DEEERN C=CCOCCCNC(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000624368463 365399061 /nfs/dbraw/zinc/39/90/61/365399061.db2.gz OUWYKMQYVVVITP-INIZCTEOSA-N 0 0 304.390 2.020 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000624461728 365428989 /nfs/dbraw/zinc/42/89/89/365428989.db2.gz JJTICCQVIWEASN-CYBMUJFWSA-N 0 0 310.442 2.034 10 30 DEEERN C=CCN(C(=O)c1ccc(C(F)F)o1)[C@H]1CCS(=O)(=O)C1 ZINC000624489891 365442233 /nfs/dbraw/zinc/44/22/33/365442233.db2.gz GHIVXVCPAFLZFS-VIFPVBQESA-N 0 0 319.329 2.033 10 30 DEEERN C=C[C@](C)(O)C(=O)N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000629009303 367047188 /nfs/dbraw/zinc/04/71/88/367047188.db2.gz UFLMPFDOGWJHGH-KRWDZBQOSA-N 0 0 319.405 2.055 10 30 DEEERN C=C(C)[C@H](CC(=O)NCc1ccc2oc(=O)n(C)c2c1)OCC ZINC000629061141 367064696 /nfs/dbraw/zinc/06/46/96/367064696.db2.gz QDYMDVXCDQXBRR-HNNXBMFYSA-N 0 0 318.373 2.119 10 30 DEEERN C[C@@H](O)C[C@@H](CNC(=O)c1ccc(C#N)n1C)c1ccccc1 ZINC000450118628 241455803 /nfs/dbraw/zinc/45/58/03/241455803.db2.gz WCTSWESTGKCKNN-HIFRSBDPSA-N 0 0 311.385 2.181 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCOc2cc(F)ccc2C1 ZINC000629852146 367351546 /nfs/dbraw/zinc/35/15/46/367351546.db2.gz MLQWYOQVOJERAB-OAHLLOKOSA-N 0 0 320.364 2.018 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)Nc1cccc2c1NC(=O)CO2 ZINC000630380531 367622538 /nfs/dbraw/zinc/62/25/38/367622538.db2.gz HSMUFOZTKJIZPK-LBPRGKRZSA-N 0 0 315.373 2.019 10 30 DEEERN Cc1cc(C#N)nc(N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)n1 ZINC000450863831 242318982 /nfs/dbraw/zinc/31/89/82/242318982.db2.gz SWBKLGWQNVGPRJ-CHWSQXEVSA-N 0 0 321.384 2.435 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2ccc(OC)c(NC(C)=O)c2)C1=O ZINC000630502985 367693623 /nfs/dbraw/zinc/69/36/23/367693623.db2.gz ZDZKGBOEHCGUOH-CYBMUJFWSA-N 0 0 317.345 2.045 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cccc(C(=O)NCCC)c2)C1=O ZINC000630502609 367693703 /nfs/dbraw/zinc/69/37/03/367693703.db2.gz KSNPTMNUNQXEAS-CQSZACIVSA-N 0 0 315.373 2.217 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2ccn(C3CCSCC3)n2)C1=O ZINC000630536737 367711993 /nfs/dbraw/zinc/71/19/93/367711993.db2.gz TUVKSLWXQSEFRA-GFCCVEGCSA-N 0 0 320.418 2.342 10 30 DEEERN C=C1CC(C)(C(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)C1 ZINC000630948305 367929086 /nfs/dbraw/zinc/92/90/86/367929086.db2.gz SDRQKPUKGYFYKA-CYBMUJFWSA-N 0 0 300.406 2.287 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H]2CCN(c3ccccc3)C2)C1=O ZINC000630967753 367941764 /nfs/dbraw/zinc/94/17/64/367941764.db2.gz NOKRVCLLBSBJOX-ZBFHGGJFSA-N 0 0 313.401 2.400 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H](CC)c2c(C)nn(C)c2C)C1=O ZINC000630976051 367946322 /nfs/dbraw/zinc/94/63/22/367946322.db2.gz OCPGESUQODITFP-CHWSQXEVSA-N 0 0 304.394 2.375 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2CCOc3ccc(OC)cc32)C1=O ZINC000630980230 367948636 /nfs/dbraw/zinc/94/86/36/367948636.db2.gz ZXQXDQVSQLTSJY-KBPBESRZSA-N 0 0 316.357 2.405 10 30 DEEERN O=C(Nc1ncc(C#CCO)s1)[C@H]1CSc2ccccc21 ZINC000092239868 193178671 /nfs/dbraw/zinc/17/86/71/193178671.db2.gz OMCAWJUXPRWFMU-LBPRGKRZSA-N 0 0 316.407 2.315 10 30 DEEERN C=CCC1(CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CCCC1 ZINC000451952436 243675032 /nfs/dbraw/zinc/67/50/32/243675032.db2.gz PBVODSMXIXZPAS-ZIAGYGMSSA-N 0 0 316.467 2.067 10 30 DEEERN COC[C@@]1(C)CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000452367613 244208234 /nfs/dbraw/zinc/20/82/34/244208234.db2.gz ZWIPHRROFMSRQV-DLBZAZTESA-N 0 0 324.421 2.133 10 30 DEEERN Cn1ncc(C#N)c1NC(=O)c1sccc1Br ZINC000093334902 193233268 /nfs/dbraw/zinc/23/32/68/193233268.db2.gz ZTFMQIGCJVTIBV-UHFFFAOYSA-N 0 0 311.164 2.368 10 30 DEEERN C=CC(C)(C)CNC(=O)CCc1nc(-c2ccncc2)no1 ZINC000452773214 244596784 /nfs/dbraw/zinc/59/67/84/244596784.db2.gz ACVCLRBVQMIBML-UHFFFAOYSA-N 0 0 300.362 2.393 10 30 DEEERN N#Cc1cc([N+](=O)[O-])ccc1NCc1cc(C(N)=O)cs1 ZINC000093686955 193289552 /nfs/dbraw/zinc/28/95/52/193289552.db2.gz DTEOWDMHYFNZFU-UHFFFAOYSA-N 0 0 302.315 2.239 10 30 DEEERN CCN[C@]1(C#N)CCC[C@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093747554 193300146 /nfs/dbraw/zinc/30/01/46/193300146.db2.gz LYRSDZDIGLZQCW-SMDDNHRTSA-N 0 0 309.439 2.059 10 30 DEEERN O=C(Nc1cccc([N+](=O)[O-])c1)c1csc(C#CCO)c1 ZINC000093974119 193333077 /nfs/dbraw/zinc/33/30/77/193333077.db2.gz GWAJHOGVOLROBT-UHFFFAOYSA-N 0 0 302.311 2.252 10 30 DEEERN COc1cccc(CNC(=O)c2csc(C#CCO)c2)c1 ZINC000093974206 193333133 /nfs/dbraw/zinc/33/31/33/193333133.db2.gz QHOCGJOGZQYAPG-UHFFFAOYSA-N 0 0 301.367 2.031 10 30 DEEERN N#Cc1ccc(NC(=O)C[S@@](=O)c2cccc(F)c2)cc1 ZINC000094627007 193385626 /nfs/dbraw/zinc/38/56/26/193385626.db2.gz ZFQDQWQDHPCMMA-NRFANRHFSA-N 0 0 302.330 2.444 10 30 DEEERN CSC1(C#N)CCN([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094636523 193387314 /nfs/dbraw/zinc/38/73/14/193387314.db2.gz GNGDOUHTVSQNMA-OLZOCXBDSA-N 0 0 316.492 2.063 10 30 DEEERN Cc1cc(C(=O)N2CCO[C@@H](C#N)C2)sc1Br ZINC000094494482 193373629 /nfs/dbraw/zinc/37/36/29/193373629.db2.gz IGAGJBKKBQKFLU-QMMMGPOBSA-N 0 0 315.192 2.184 10 30 DEEERN C=CCN1C(=O)N=C(N)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000094516435 193376671 /nfs/dbraw/zinc/37/66/71/193376671.db2.gz YQELGEUBEMKEHD-NSHDSACASA-N 0 0 324.178 2.478 10 30 DEEERN CN(c1cc(C#N)ccn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095074115 193415995 /nfs/dbraw/zinc/41/59/95/193415995.db2.gz JTWRRTXBHUDLGW-CYBMUJFWSA-N 0 0 302.378 2.399 10 30 DEEERN C#Cc1cccc(NS(=O)(=O)c2cc(N)c(F)cc2C)c1 ZINC000094779325 193396482 /nfs/dbraw/zinc/39/64/82/193396482.db2.gz AYFCANDZOVWWMN-UHFFFAOYSA-N 0 0 304.346 2.498 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CC[C@H](CO)[C@@H]2CC)cc1 ZINC000452951522 244768109 /nfs/dbraw/zinc/76/81/09/244768109.db2.gz YSJRYFFCHCATDL-WBVHZDCISA-N 0 0 303.402 2.413 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CC[C@H](CO)[C@H]2CC)cc1 ZINC000452951518 244768870 /nfs/dbraw/zinc/76/88/70/244768870.db2.gz YSJRYFFCHCATDL-NVXWUHKLSA-N 0 0 303.402 2.413 10 30 DEEERN CN(C)C(=O)c1ccc(C#CCNC(=O)c2ccccc2F)cc1 ZINC000096348298 193614983 /nfs/dbraw/zinc/61/49/83/193614983.db2.gz AWIRSDCEGDKYKW-UHFFFAOYSA-N 0 0 324.355 2.309 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NCCC(C)(C)CO ZINC000453814349 245301474 /nfs/dbraw/zinc/30/14/74/245301474.db2.gz YDFBSTFYGFQZRV-UHFFFAOYSA-N 0 0 318.417 2.269 10 30 DEEERN C=CC(C)(C)CNC(=O)C(=O)Nc1cc(OC)cc(OC)c1C ZINC000453883145 245340838 /nfs/dbraw/zinc/34/08/38/245340838.db2.gz UDDVXDAGJDMTLW-UHFFFAOYSA-N 0 0 320.389 2.279 10 30 DEEERN C=C(C)CCNC(=O)C(=O)Nc1cc(OC)cc(OC)c1C ZINC000453886211 245341262 /nfs/dbraw/zinc/34/12/62/245341262.db2.gz WBCXWHNOSSBQKO-UHFFFAOYSA-N 0 0 306.362 2.033 10 30 DEEERN C=CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000265225414 204467720 /nfs/dbraw/zinc/46/77/20/204467720.db2.gz AEDCDKUHOXOCNZ-GXTWGEPZSA-N 0 0 304.415 2.283 10 30 DEEERN C=CCCCCNC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000274703319 211850167 /nfs/dbraw/zinc/85/01/67/211850167.db2.gz YYCIDWSMMFGTHR-GJZGRUSLSA-N 0 0 322.405 2.470 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C(=O)OC)c1ccc(OC)c(O)c1 ZINC000274704052 211849520 /nfs/dbraw/zinc/84/95/20/211849520.db2.gz OOSUMCIPKXVPIJ-XHDPSFHLSA-N 0 0 321.373 2.333 10 30 DEEERN C#CC[C@H](N)c1nc(Cc2ccc(Br)cc2)no1 ZINC000161513021 197500718 /nfs/dbraw/zinc/50/07/18/197500718.db2.gz BVEQOWZOQWOXBO-NSHDSACASA-N 0 0 306.163 2.446 10 30 DEEERN N#Cc1ccc(CNc2cc(S(N)(=O)=O)ccc2Cl)o1 ZINC000161064295 197461714 /nfs/dbraw/zinc/46/17/14/197461714.db2.gz BBZNSQWWKGDZTI-UHFFFAOYSA-N 0 0 311.750 2.064 10 30 DEEERN CC(C)N(CCCO)C(=O)c1cccc(C#CC(C)(C)O)c1 ZINC000020255510 182199969 /nfs/dbraw/zinc/19/99/69/182199969.db2.gz GLTLZFQOOWAZOR-UHFFFAOYSA-N 0 0 303.402 2.042 10 30 DEEERN C[C@H]1CCCN(S(=O)(=O)N(CCC#N)c2ccccc2)C1 ZINC000021015469 182260811 /nfs/dbraw/zinc/26/08/11/182260811.db2.gz ULSHNSILECIPGJ-AWEZNQCLSA-N 0 0 307.419 2.383 10 30 DEEERN C=C(C)CCNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000454939448 246271582 /nfs/dbraw/zinc/27/15/82/246271582.db2.gz UMXANCBQGLTGJG-HOCLYGCPSA-N 0 0 315.417 2.441 10 30 DEEERN C[C@@H](NC(=O)c1ccc(C#N)o1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000456657793 247343074 /nfs/dbraw/zinc/34/30/74/247343074.db2.gz RHGMXTYZORYSNY-NWDGAFQWSA-N 0 0 323.352 2.247 10 30 DEEERN COCCNC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000038550355 183002378 /nfs/dbraw/zinc/00/23/78/183002378.db2.gz MRGAVYGPEGHRHW-UHFFFAOYSA-N 0 0 302.359 2.450 10 30 DEEERN CCN(c1cccc(C)c1)c1ncnc(N(CC#N)CC#N)c1N ZINC000040661760 183114930 /nfs/dbraw/zinc/11/49/30/183114930.db2.gz ILINNLUVIPWHRV-UHFFFAOYSA-N 0 0 321.388 2.379 10 30 DEEERN C=CCNc1ncnc(N(C)c2ccccc2C(=O)OC)c1N ZINC000040709151 183121352 /nfs/dbraw/zinc/12/13/52/183121352.db2.gz OFDYTIQIQQJMEK-UHFFFAOYSA-N 0 0 313.361 2.211 10 30 DEEERN C=CCNC(=O)c1ccccc1OCC(=O)N1CCCCCC1 ZINC000041282357 183183451 /nfs/dbraw/zinc/18/34/51/183183451.db2.gz PUEBIWIHPWYDQY-UHFFFAOYSA-N 0 0 316.401 2.384 10 30 DEEERN N#Cc1cc(N)c(OCC(F)F)c(I)c1 ZINC000043415438 183360867 /nfs/dbraw/zinc/36/08/67/183360867.db2.gz BGSFGLCNUUZLCP-UHFFFAOYSA-N 0 0 324.068 2.389 10 30 DEEERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000045244566 183490102 /nfs/dbraw/zinc/49/01/02/183490102.db2.gz GFGMHXRRZJUVMB-UHFFFAOYSA-N 0 0 310.313 2.442 10 30 DEEERN C[C@@H](NC(=O)c1ccco1)C(=O)N(CCC#N)CC(C)(C)C ZINC000104626347 194021674 /nfs/dbraw/zinc/02/16/74/194021674.db2.gz OHCGPOOAFHZOQR-GFCCVEGCSA-N 0 0 305.378 2.186 10 30 DEEERN CN(c1cccnn1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000105815710 194134644 /nfs/dbraw/zinc/13/46/44/194134644.db2.gz RHPVUYHSJZQDLA-UHFFFAOYSA-N 0 0 321.384 2.089 10 30 DEEERN N#C[C@H]1CN(C(=O)c2ccc3nc(Cl)ccc3c2)CCO1 ZINC000106292134 194194618 /nfs/dbraw/zinc/19/46/18/194194618.db2.gz LXSUAJSYQFSPFO-LBPRGKRZSA-N 0 0 301.733 2.253 10 30 DEEERN N#Cc1cnccc1N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000553589853 291746165 /nfs/dbraw/zinc/74/61/65/291746165.db2.gz RHPLVIZAIRTBNH-OAHLLOKOSA-N 0 0 307.357 2.093 10 30 DEEERN CCCC[C@@H](C)NS(=O)(=O)c1ccc(C#CCCO)cc1 ZINC000050891054 183807115 /nfs/dbraw/zinc/80/71/15/183807115.db2.gz VTTQLRNQVFZDOL-CQSZACIVSA-N 0 0 309.431 2.278 10 30 DEEERN CC[C@H](C#N)N1CCN(Cc2ccc(Br)o2)CC1 ZINC000109454427 194264467 /nfs/dbraw/zinc/26/44/67/194264467.db2.gz BAHSGUBBDMCXMT-LLVKDONJSA-N 0 0 312.211 2.462 10 30 DEEERN CC[C@H](C#N)N1CCN(c2ncccc2Br)CC1 ZINC000109463949 194265664 /nfs/dbraw/zinc/26/56/64/194265664.db2.gz VYVWCINCWGCYCI-LLVKDONJSA-N 0 0 309.211 2.268 10 30 DEEERN N#CCc1ccc(NC(=O)c2nc(NN)ccc2Cl)cc1 ZINC000051605677 183831819 /nfs/dbraw/zinc/83/18/19/183831819.db2.gz FWUOYNNLSQSDKF-UHFFFAOYSA-N 0 0 301.737 2.339 10 30 DEEERN Cc1nnc(SCc2ccc(F)cc2C#CCCO)n1C ZINC000109982384 194302143 /nfs/dbraw/zinc/30/21/43/194302143.db2.gz JSLCAQGFOVVMJB-UHFFFAOYSA-N 0 0 305.378 2.289 10 30 DEEERN CN(Cc1cc(C#CCO)cs1)C(=O)[C@H]1CCCCS1 ZINC000156273964 197100425 /nfs/dbraw/zinc/10/04/25/197100425.db2.gz LYSMDUQXGLVRRL-CQSZACIVSA-N 0 0 309.456 2.336 10 30 DEEERN COc1ccc2c(c1)CCN2S(=O)(=O)c1cccc(C#N)c1 ZINC000058494906 184120321 /nfs/dbraw/zinc/12/03/21/184120321.db2.gz MKCHTASUDMVOJS-UHFFFAOYSA-N 0 0 314.366 2.318 10 30 DEEERN Cc1cc(N)ccc1S(=O)(=O)N(C)c1cccc(C#N)c1 ZINC000061979722 184200146 /nfs/dbraw/zinc/20/01/46/184200146.db2.gz WZYZIBWHICXOJC-UHFFFAOYSA-N 0 0 301.371 2.274 10 30 DEEERN N#Cc1cccc(C(=O)NCCCn2c(=O)[nH]c3ccccc32)c1 ZINC000062186506 184215880 /nfs/dbraw/zinc/21/58/80/184215880.db2.gz MZWRHHXGCMRBHI-UHFFFAOYSA-N 0 0 320.352 2.021 10 30 DEEERN C[C@@H](CC#N)N(C)S(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000063086198 184269912 /nfs/dbraw/zinc/26/99/12/184269912.db2.gz TVMUXXGDZVYUHY-ZETCQYMHSA-N 0 0 322.217 2.498 10 30 DEEERN CNc1ncc(Br)cc1C(=O)N(C)[C@H](C)CC#N ZINC000063098406 184270877 /nfs/dbraw/zinc/27/08/77/184270877.db2.gz DXIZPIWZSKCIHG-MRVPVSSYSA-N 0 0 311.183 2.260 10 30 DEEERN C#CCN(CCC)S(=O)(=O)c1cccc2cc(N)ccc21 ZINC000161868755 197525345 /nfs/dbraw/zinc/52/53/45/197525345.db2.gz JOJSSFYGAPHYRM-UHFFFAOYSA-N 0 0 302.399 2.456 10 30 DEEERN C[C@H](C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)n1cnc(C#N)n1 ZINC000540607048 285121453 /nfs/dbraw/zinc/12/14/53/285121453.db2.gz KVIUZMWDGGNVSA-AAVRWANBSA-N 0 0 301.394 2.186 10 30 DEEERN COc1cc(OC)cc([C@H](O)CNc2ccc(C)c(C#N)n2)c1 ZINC000302666088 533087207 /nfs/dbraw/zinc/08/72/07/533087207.db2.gz QDVCTINEWIKFOO-MRXNPFEDSA-N 0 0 313.357 2.424 10 30 DEEERN C=CCn1ncc(NC[C@@H](C)OCC)c(Br)c1=O ZINC000158613322 197288095 /nfs/dbraw/zinc/28/80/95/197288095.db2.gz WWFNGETZLXPWSR-SECBINFHSA-N 0 0 316.199 2.029 10 30 DEEERN CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2N)C1 ZINC000158186247 197250955 /nfs/dbraw/zinc/25/09/55/197250955.db2.gz VFXBGFZOGABFHW-GFCCVEGCSA-N 0 0 307.419 2.197 10 30 DEEERN Cc1ccc(C#CCCO)cc1NC(=O)NCC(F)(F)F ZINC000158093254 197242671 /nfs/dbraw/zinc/24/26/71/197242671.db2.gz QXQSPRWDZVJUQK-UHFFFAOYSA-N 0 0 300.280 2.413 10 30 DEEERN Cc1cnc(CCN(C)CC(=O)Nc2sccc2C#N)s1 ZINC000157382573 197183906 /nfs/dbraw/zinc/18/39/06/197183906.db2.gz ICEJWQGITJLYMD-UHFFFAOYSA-N 0 0 320.443 2.498 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000156795130 197140835 /nfs/dbraw/zinc/14/08/35/197140835.db2.gz YRKQFBCGWNLTQQ-GFCCVEGCSA-N 0 0 309.373 2.286 10 30 DEEERN C[C@@H]1SCCN(CCS(=O)(=O)c2cccc(C#N)c2)[C@H]1C ZINC000156765392 197139332 /nfs/dbraw/zinc/13/93/32/197139332.db2.gz KBTKMKXVSVFXKT-STQMWFEESA-N 0 0 324.471 2.158 10 30 DEEERN O=C(NC[C@@H]1CCCCS1)c1ccccc1C#CCCO ZINC000156559697 197123929 /nfs/dbraw/zinc/12/39/29/197123929.db2.gz JBIILTAWDHONCK-HNNXBMFYSA-N 0 0 303.427 2.436 10 30 DEEERN Cc1cc(C(=O)NC[C@H]2CCCCS2)sc1C#CCO ZINC000156563934 197124014 /nfs/dbraw/zinc/12/40/14/197124014.db2.gz RFSXNODNGNXIIB-GFCCVEGCSA-N 0 0 309.456 2.416 10 30 DEEERN O=C(NC[C@@H]1CCCCS1)c1ccc(C#CCCO)s1 ZINC000156560447 197123558 /nfs/dbraw/zinc/12/35/58/197123558.db2.gz WHVNDVWJXILQNW-ZDUSSCGKSA-N 0 0 309.456 2.498 10 30 DEEERN CNc1nc(Nc2cc(Cl)ccc2C#N)nc(N(C)C)n1 ZINC000156401949 197109973 /nfs/dbraw/zinc/10/99/73/197109973.db2.gz ITVGSBVNZUIURH-UHFFFAOYSA-N 0 0 303.757 2.248 10 30 DEEERN C=CCNC(=O)Nc1ccc(NC(=O)C[C@H](O)C(C)C)cc1 ZINC000154824333 196996050 /nfs/dbraw/zinc/99/60/50/196996050.db2.gz PYOWQNOSECTZEP-AWEZNQCLSA-N 0 0 305.378 2.340 10 30 DEEERN Cc1cc(NC(=O)Cn2ccnc2C#N)ccc1Br ZINC000152186309 196784628 /nfs/dbraw/zinc/78/46/28/196784628.db2.gz XMTCHJKEPCCICX-UHFFFAOYSA-N 0 0 319.162 2.464 10 30 DEEERN Cn1cc([C@H]2CCN(C(=O)c3c(F)cc(C#N)cc3F)C2)cn1 ZINC000151908866 196744855 /nfs/dbraw/zinc/74/48/55/196744855.db2.gz DCXKKVBLTRDYDX-NSHDSACASA-N 0 0 316.311 2.200 10 30 DEEERN N#Cc1ccc(NC(=O)CCN2CCCC[C@H]2c2nc[nH]n2)cc1 ZINC000121669063 195327166 /nfs/dbraw/zinc/32/71/66/195327166.db2.gz ABUGOFLDWMRCBZ-HNNXBMFYSA-N 0 0 324.388 2.232 10 30 DEEERN C[C@H]1OCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H]1C ZINC000121850640 195362024 /nfs/dbraw/zinc/36/20/24/195362024.db2.gz WCTXJTNLYNLYNI-VHSXEESVSA-N 0 0 314.794 2.010 10 30 DEEERN CC[C@H](CSC)N(C)C(=O)c1ccc(C#CCCO)cn1 ZINC000124504141 195648710 /nfs/dbraw/zinc/64/87/10/195648710.db2.gz SVASAXXGHHMBBM-CQSZACIVSA-N 0 0 306.431 2.029 10 30 DEEERN CC(C)N(CC#N)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1 ZINC000127160629 195853943 /nfs/dbraw/zinc/85/39/43/195853943.db2.gz YSQPELMIZQIDJQ-UHFFFAOYSA-N 0 0 323.783 2.232 10 30 DEEERN COC(=O)CCc1ccc(NC(=O)c2cc(C#N)cn2C)cc1 ZINC000177175147 533458365 /nfs/dbraw/zinc/45/83/65/533458365.db2.gz MYSMOUKZNYMPCW-UHFFFAOYSA-N 0 0 311.341 2.255 10 30 DEEERN Cn1cnc(-c2ccc(C(=O)Nc3cc(C#N)ccn3)cc2)n1 ZINC000357410179 133076536 /nfs/dbraw/zinc/07/65/36/133076536.db2.gz LYTOEMHFXNNLFP-UHFFFAOYSA-N 0 0 304.313 2.001 10 30 DEEERN C[C@@H](C(=O)N(c1ccccn1)C1CCCC1)n1cnc(C#N)n1 ZINC000546977056 285539765 /nfs/dbraw/zinc/53/97/65/285539765.db2.gz NBULCXJRONXBEJ-LBPRGKRZSA-N 0 0 310.361 2.082 10 30 DEEERN Cc1cc(C)n(CC(=O)Nc2cc(C)c(N(C)C)cc2C#N)n1 ZINC000362423990 133229467 /nfs/dbraw/zinc/22/94/67/133229467.db2.gz SHLPANFGLRJKLV-UHFFFAOYSA-N 0 0 311.389 2.385 10 30 DEEERN N#Cc1cnc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)cn1 ZINC000368424813 133272514 /nfs/dbraw/zinc/27/25/14/133272514.db2.gz AGPGDURJOYNEAA-MRXNPFEDSA-N 0 0 314.776 2.186 10 30 DEEERN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@H]3C)C2)n1 ZINC000377900097 133350526 /nfs/dbraw/zinc/35/05/26/133350526.db2.gz GHWISZFYRQZXTE-ZBFHGGJFSA-N 0 0 312.417 2.489 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cnn(CC(F)F)c1 ZINC000116843701 144649103 /nfs/dbraw/zinc/64/91/03/144649103.db2.gz BWTUHUWRHCTSPW-SNVBAGLBSA-N 0 0 320.299 2.426 10 30 DEEERN COc1cnccc1[C@H](C)NC(=O)COc1ccccc1C#N ZINC000189659495 145032006 /nfs/dbraw/zinc/03/20/06/145032006.db2.gz LLRSOQJJZIVCEH-LBPRGKRZSA-N 0 0 311.341 2.218 10 30 DEEERN N#Cc1ccc(C[S@@](=O)Cc2nc(C3CC3)no2)cc1F ZINC000190790567 145048308 /nfs/dbraw/zinc/04/83/08/145048308.db2.gz YHTGRBAUIVRDBC-OAQYLSRUSA-N 0 0 305.334 2.407 10 30 DEEERN CN(C)c1nc(C[S@@](=O)Cc2ccc(C#N)c(F)c2)ns1 ZINC000190847222 145048828 /nfs/dbraw/zinc/04/88/28/145048828.db2.gz MZBJWSGYCJVOJN-NRFANRHFSA-N 0 0 324.406 2.064 10 30 DEEERN CC(C)Cn1ncnc1C[S@@](=O)Cc1ccc(C#N)c(F)c1 ZINC000190846881 145048947 /nfs/dbraw/zinc/04/89/47/145048947.db2.gz NYJBULLEMQJGRC-QFIPXVFZSA-N 0 0 320.393 2.394 10 30 DEEERN N#Cc1ccsc1NC(=O)CN1CC[C@@H]2OCCC[C@H]2C1 ZINC000246445772 145102807 /nfs/dbraw/zinc/10/28/07/145102807.db2.gz BOZUNDFPXMHDCD-STQMWFEESA-N 0 0 305.403 2.059 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(CCOc3ccccc3C#N)[C@H]2C1 ZINC000247218389 145129837 /nfs/dbraw/zinc/12/98/37/145129837.db2.gz ZAEYZXXFEQHGMI-RYRKJORJSA-N 0 0 316.401 2.205 10 30 DEEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000247531494 145140341 /nfs/dbraw/zinc/14/03/41/145140341.db2.gz PCURLETVVMGSRU-GJZGRUSLSA-N 0 0 320.414 2.056 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCOc1ccccc1C#N ZINC000248823120 145168832 /nfs/dbraw/zinc/16/88/32/145168832.db2.gz JQWOQGNRHHFQSG-ZOBUZTSGSA-N 0 0 314.385 2.211 10 30 DEEERN CO[C@@H]1CN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC[C@H]1C ZINC000252005447 145198139 /nfs/dbraw/zinc/19/81/39/145198139.db2.gz WYSNFUSJDHMXHK-XJKCOSOUSA-N 0 0 301.390 2.242 10 30 DEEERN COc1ccc(Cl)c(NC(=O)[C@@H](C)n2cnc(C#N)n2)c1 ZINC000358721519 147190331 /nfs/dbraw/zinc/19/03/31/147190331.db2.gz WYTADUTYHUWNGF-MRVPVSSYSA-N 0 0 305.725 2.011 10 30 DEEERN C[C@@H](C(=O)NC[C@@H]1CCCCC(F)(F)C1)n1cnc(C#N)n1 ZINC000358778165 147203141 /nfs/dbraw/zinc/20/31/41/147203141.db2.gz CBOWHGFCVXBYTM-WDEREUQCSA-N 0 0 311.336 2.043 10 30 DEEERN Cc1oc(C#N)cc1C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375555320 148386326 /nfs/dbraw/zinc/38/63/26/148386326.db2.gz XKZSTEPOLXULFZ-LLVKDONJSA-N 0 0 312.329 2.350 10 30 DEEERN C#Cc1cccc(NC(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)c1 ZINC000112122962 401731447 /nfs/dbraw/zinc/73/14/47/401731447.db2.gz QQYVNBYQXJJJCS-QGZVFWFLSA-N 0 0 324.384 2.106 10 30 DEEERN CN(Cc1cc(Br)cn1C)c1cnc(C#N)cn1 ZINC000127035818 401717343 /nfs/dbraw/zinc/71/73/43/401717343.db2.gz OMJYRVAJCSWWDK-UHFFFAOYSA-N 0 0 306.167 2.086 10 30 DEEERN CN(C)c1ccc(C(=O)Nc2ccc(CC(=O)NO)cc2)cc1 ZINC000013801968 401804669 /nfs/dbraw/zinc/80/46/69/401804669.db2.gz UKAVCWPRHZTDQF-UHFFFAOYSA-N 0 0 313.357 2.053 10 30 DEEERN C=CCN(CC=C)C(=O)CNc1ccccc1C(=O)NC(C)C ZINC000075679368 401766108 /nfs/dbraw/zinc/76/61/08/401766108.db2.gz BCEIAXQWWZLZHU-UHFFFAOYSA-N 0 0 315.417 2.437 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000076492382 401796611 /nfs/dbraw/zinc/79/66/11/401796611.db2.gz JGQULAWVRHHXFX-UHFFFAOYSA-N 0 0 324.446 2.412 10 30 DEEERN C=CC[C@H](C)NC(=O)CNC(=O)c1cc2c(s1)CCCC2 ZINC000116851847 401861273 /nfs/dbraw/zinc/86/12/73/401861273.db2.gz DXYFBLFYPKHZHC-NSHDSACASA-N 0 0 306.431 2.438 10 30 DEEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000117077017 401868501 /nfs/dbraw/zinc/86/85/01/401868501.db2.gz MABLPVHVZVSYSZ-LLVKDONJSA-N 0 0 306.362 2.032 10 30 DEEERN COc1cccc(N2CCC[C@H](NC(=O)CSCC#N)C2)c1 ZINC000117178642 401869092 /nfs/dbraw/zinc/86/90/92/401869092.db2.gz GLOJGKYIWWXFOE-ZDUSSCGKSA-N 0 0 319.430 2.037 10 30 DEEERN C=CC[C@@H](C)NC(=O)NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000087107139 401927752 /nfs/dbraw/zinc/92/77/52/401927752.db2.gz FUQULXANWCSIMH-GFCCVEGCSA-N 0 0 315.377 2.040 10 30 DEEERN N#CCCN(Cc1ccccn1)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000134275603 401901548 /nfs/dbraw/zinc/90/15/48/401901548.db2.gz PUXUIJDGWTUKOW-AWEZNQCLSA-N 0 0 309.373 2.167 10 30 DEEERN COc1cc(CNC(=O)c2cc(C#N)cs2)cc(OC)c1O ZINC000084387207 401905390 /nfs/dbraw/zinc/90/53/90/401905390.db2.gz ZLGPAQDXAIVCSY-UHFFFAOYSA-N 0 0 318.354 2.273 10 30 DEEERN C#CCN1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000134718545 401912325 /nfs/dbraw/zinc/91/23/25/401912325.db2.gz WBCFBEBSODTXFM-UHFFFAOYSA-N 0 0 304.191 2.076 10 30 DEEERN C#CCOc1ccc(C(=O)N2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000135734629 401952490 /nfs/dbraw/zinc/95/24/90/401952490.db2.gz MUWQPNGPHMXRAC-SFHVURJKSA-N 0 0 322.364 2.387 10 30 DEEERN C[C@H](C[S@@](C)=O)N(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000135790479 401953316 /nfs/dbraw/zinc/95/33/16/401953316.db2.gz WPWWHRLHGFVHNM-GTJPDFRWSA-N 0 0 304.415 2.081 10 30 DEEERN COc1cc(OC)c(CNC(=O)C2(C#N)CCCC2)c(OC)c1 ZINC000046692294 401971699 /nfs/dbraw/zinc/97/16/99/401971699.db2.gz IRQGBKOHBBUIHE-UHFFFAOYSA-N 0 0 318.373 2.413 10 30 DEEERN CNC(=O)CN(Cc1ccccc1C#N)Cc1ccccc1C#N ZINC000047550653 401983332 /nfs/dbraw/zinc/98/33/32/401983332.db2.gz CCBYGFURRFWXJE-UHFFFAOYSA-N 0 0 318.380 2.178 10 30 DEEERN C=CCCS(=O)(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000121088192 402014396 /nfs/dbraw/zinc/01/43/96/402014396.db2.gz YHSHOMOTHOKMDG-CYBMUJFWSA-N 0 0 305.403 2.429 10 30 DEEERN CCCCOCCNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000049393732 402016703 /nfs/dbraw/zinc/01/67/03/402016703.db2.gz JVKMBRJJYNUMNZ-UHFFFAOYSA-N 0 0 316.810 2.307 10 30 DEEERN N#Cc1nccn1CC(=O)Nc1ccccc1Br ZINC000094939758 402023049 /nfs/dbraw/zinc/02/30/49/402023049.db2.gz JINJMLNRNQMQRX-UHFFFAOYSA-N 0 0 305.135 2.156 10 30 DEEERN COC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)C(C)(C)C#N)C1 ZINC000151397086 402033626 /nfs/dbraw/zinc/03/36/26/402033626.db2.gz LWHYPIBLPUGQBG-GJZGRUSLSA-N 0 0 314.385 2.341 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc[nH]c(=O)c1 ZINC000150993438 402009346 /nfs/dbraw/zinc/00/93/46/402009346.db2.gz QEAXBPZQJNTHLT-UHFFFAOYSA-N 0 0 313.313 2.112 10 30 DEEERN C=CCNc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000055132877 402076510 /nfs/dbraw/zinc/07/65/10/402076510.db2.gz FHHHKHIGABAVPV-KRWDZBQOSA-N 0 0 323.396 2.111 10 30 DEEERN CCc1cccc(CC)c1NC(=O)Cn1nc(C)c(C#N)c1N ZINC000152176579 402079955 /nfs/dbraw/zinc/07/99/55/402079955.db2.gz SJZOVSXBHMDUBE-UHFFFAOYSA-N 0 0 311.389 2.409 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cc(C(=O)OC)ccc1C ZINC000122481638 402080784 /nfs/dbraw/zinc/08/07/84/402080784.db2.gz IPJWDUOTTLMQTD-UHFFFAOYSA-N 0 0 311.403 2.368 10 30 DEEERN C=CCCS(=O)(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000122628077 402087754 /nfs/dbraw/zinc/08/77/54/402087754.db2.gz NZHLPAKBRZOCMD-OAHLLOKOSA-N 0 0 313.394 2.413 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C ZINC000122854069 402098133 /nfs/dbraw/zinc/09/81/33/402098133.db2.gz ADAKRAPBSIQHSN-KBPBESRZSA-N 0 0 313.401 2.386 10 30 DEEERN COc1ccc(CNC(=O)COc2ccc(C#N)c(F)c2)cc1 ZINC000066749555 402141158 /nfs/dbraw/zinc/14/11/58/402141158.db2.gz ZFYGACRDFIWZQO-UHFFFAOYSA-N 0 0 314.316 2.401 10 30 DEEERN COCc1nc2n(n1)CCC[C@@H]2Nc1ncc(C#N)cc1Cl ZINC000153276628 402136268 /nfs/dbraw/zinc/13/62/68/402136268.db2.gz MGPWRALDACBDSI-NSHDSACASA-N 0 0 318.768 2.292 10 30 DEEERN CC1CCC(N2C[C@H](C(=O)NC3(C#N)CCCC3)CC2=O)CC1 ZINC000066838529 402143921 /nfs/dbraw/zinc/14/39/21/402143921.db2.gz KPLXEGKEXLXGEP-SHARSMKWSA-N 0 0 317.433 2.366 10 30 DEEERN CSc1cc(C(=O)Cn2ccnc2C#N)ccc1NC(C)=O ZINC000123902303 402152774 /nfs/dbraw/zinc/15/27/74/402152774.db2.gz MVQQJUKAEGQJSA-UHFFFAOYSA-N 0 0 314.370 2.318 10 30 DEEERN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NC2(C#N)CCCC2)C1 ZINC000101642183 402152158 /nfs/dbraw/zinc/15/21/58/402152158.db2.gz PLTPWVORGHOAQC-ZIAGYGMSSA-N 0 0 305.422 2.224 10 30 DEEERN CCOc1ccc(NC(=O)Cn2ccnc2C#N)cc1OCC ZINC000123965248 402156474 /nfs/dbraw/zinc/15/64/74/402156474.db2.gz XAUAVLKTZMGISN-UHFFFAOYSA-N 0 0 314.345 2.191 10 30 DEEERN N#Cc1ccc(NC(=O)N2CCC(Nc3cccnn3)CC2)cc1 ZINC000124480269 402181743 /nfs/dbraw/zinc/18/17/43/402181743.db2.gz LLXHFLBAZNRHNR-UHFFFAOYSA-N 0 0 322.372 2.457 10 30 DEEERN Cc1ccn(-c2ccccc2NCC(=O)N[C@@](C)(C#N)C2CC2)n1 ZINC000124480254 402181812 /nfs/dbraw/zinc/18/18/12/402181812.db2.gz KQKBKKIEKHCJTC-SFHVURJKSA-N 0 0 323.400 2.401 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)Nc3ccncc3C)cc2C1=O ZINC000107292077 402229289 /nfs/dbraw/zinc/22/92/89/402229289.db2.gz OUNVVHHEHWIXHN-UHFFFAOYSA-N 0 0 321.336 2.424 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)CCCn1ccnc1 ZINC000154991799 402241173 /nfs/dbraw/zinc/24/11/73/402241173.db2.gz FEIIMBOHUAZWTO-CQSZACIVSA-N 0 0 312.373 2.071 10 30 DEEERN C=C(C)COCCNS(=O)(=O)c1cccc2ncccc21 ZINC000125706955 402246130 /nfs/dbraw/zinc/24/61/30/402246130.db2.gz OMQXRAXNYKZLJM-UHFFFAOYSA-N 0 0 306.387 2.106 10 30 DEEERN C=CCN(CC1CCCCC1)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000070060291 402256859 /nfs/dbraw/zinc/25/68/59/402256859.db2.gz XALPFSIWSZMGLG-MRXNPFEDSA-N 0 0 323.481 2.485 10 30 DEEERN N#C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000108830495 402262591 /nfs/dbraw/zinc/26/25/91/402262591.db2.gz UVXCNADAWUWRMG-ZDUSSCGKSA-N 0 0 314.345 2.227 10 30 DEEERN CCCN(C[C@@H]1CCCCO1)S(=O)(=O)CCCCC#N ZINC000068916976 402209083 /nfs/dbraw/zinc/20/90/83/402209083.db2.gz ZMRQKOOUISYRFB-AWEZNQCLSA-N 0 0 302.440 2.291 10 30 DEEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000109997272 402279882 /nfs/dbraw/zinc/27/98/82/402279882.db2.gz IDRHHQHVDCOBGZ-UONOGXRCSA-N 0 0 318.421 2.300 10 30 DEEERN CSC[C@H](C)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184624389 402285270 /nfs/dbraw/zinc/28/52/70/402285270.db2.gz MQUZJQJNQJFEDK-JTQLQIEISA-N 0 0 316.390 2.012 10 30 DEEERN CC(C)C[C@H](CCO)CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000176290047 402297475 /nfs/dbraw/zinc/29/74/75/402297475.db2.gz UHOIHNNEPLCHSD-CABCVRRESA-N 0 0 318.417 2.486 10 30 DEEERN N#Cc1cc(F)c(C(=O)NCc2ccc(CO)c(F)c2)c(F)c1 ZINC000176396359 402305947 /nfs/dbraw/zinc/30/59/47/402305947.db2.gz FLZIEMOZJIRRQO-UHFFFAOYSA-N 0 0 320.270 2.398 10 30 DEEERN Cc1nc(C(=O)Nc2cccc3c2OCC[C@H]3O)ccc1C#N ZINC000185323811 402343213 /nfs/dbraw/zinc/34/32/13/402343213.db2.gz OMAWIOFWRVHPJT-OAHLLOKOSA-N 0 0 309.325 2.330 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000176853205 402343258 /nfs/dbraw/zinc/34/32/58/402343258.db2.gz YEPAPBFHDOYOCT-AWEZNQCLSA-N 0 0 308.385 2.250 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2c2ccccc2)s1 ZINC000230338614 402350878 /nfs/dbraw/zinc/35/08/78/402350878.db2.gz YQCPLEXHPPQZCQ-CHWSQXEVSA-N 0 0 304.396 2.454 10 30 DEEERN C[C@H]1CN(c2ccc(C#N)cc2C(F)(F)F)CCS1(=O)=O ZINC000160768772 402359520 /nfs/dbraw/zinc/35/95/20/402359520.db2.gz HZIDVDVJPRAOFJ-VIFPVBQESA-N 0 0 318.320 2.200 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000185574727 402362408 /nfs/dbraw/zinc/36/24/08/402362408.db2.gz SCSWMJNSSHSURX-CQSZACIVSA-N 0 0 318.465 2.283 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC000185606317 402364563 /nfs/dbraw/zinc/36/45/63/402364563.db2.gz BLWGTLSYDZMYRV-ZDUSSCGKSA-N 0 0 316.357 2.041 10 30 DEEERN COc1cc(C#N)ccc1S(=O)(=O)NCCC1=CCCC1 ZINC000185872294 402384372 /nfs/dbraw/zinc/38/43/72/402384372.db2.gz OJWNXOUFALOTKB-UHFFFAOYSA-N 0 0 306.387 2.346 10 30 DEEERN C=CCN(Cc1nc(N(C)C)no1)Cc1ccc(OC)cc1 ZINC000185251139 402338663 /nfs/dbraw/zinc/33/86/63/402338663.db2.gz LKEZVMDDTZTLLA-UHFFFAOYSA-N 0 0 302.378 2.332 10 30 DEEERN C[C@H](CNC(=O)c1cc(C#N)cn1C)Oc1ccccc1F ZINC000177475202 402406745 /nfs/dbraw/zinc/40/67/45/402406745.db2.gz UZNRIKHYZFYOMN-LLVKDONJSA-N 0 0 301.321 2.233 10 30 DEEERN CC(C)OC(=O)[C@H](C)N(C)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000162159750 402411608 /nfs/dbraw/zinc/41/16/08/402411608.db2.gz NMNMEPXKYDOKJY-STQMWFEESA-N 0 0 318.373 2.124 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000186525661 402439238 /nfs/dbraw/zinc/43/92/38/402439238.db2.gz FJSSHLVWCVGOGF-NSHDSACASA-N 0 0 304.325 2.070 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000186667981 402453508 /nfs/dbraw/zinc/45/35/08/402453508.db2.gz GCMJHKMGSPTRMK-QMMMGPOBSA-N 0 0 310.202 2.209 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1[nH]c(C)c(C(N)=O)c1CC ZINC000163762970 402456873 /nfs/dbraw/zinc/45/68/73/402456873.db2.gz YYIMUEYNPYBJSA-UHFFFAOYSA-N 0 0 317.311 2.175 10 30 DEEERN C[C@H](CC#N)N(C)C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000163839379 402458293 /nfs/dbraw/zinc/45/82/93/402458293.db2.gz VCOZKVHLQJIFRQ-LLVKDONJSA-N 0 0 303.337 2.327 10 30 DEEERN C[C@H]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C ZINC000245955877 402500383 /nfs/dbraw/zinc/50/03/83/402500383.db2.gz UBALTOOTDNSEDZ-UONOGXRCSA-N 0 0 306.431 2.310 10 30 DEEERN Cc1cccc(S(=O)(=O)NCCCc2ccccn2)c1C#N ZINC000178870546 402549103 /nfs/dbraw/zinc/54/91/03/402549103.db2.gz HIQJUEIYMUSAKK-UHFFFAOYSA-N 0 0 315.398 2.173 10 30 DEEERN Cc1cccc(S(=O)(=O)N2CCS[C@@H](C)[C@H]2C)c1C#N ZINC000246372392 402527132 /nfs/dbraw/zinc/52/71/32/402527132.db2.gz YSEFTFJCRUXJTK-NEPJUHHUSA-N 0 0 310.444 2.381 10 30 DEEERN Cc1nn(C)c(C)c1CCCNC(=O)c1cccc(F)c1C#N ZINC000188970035 402529206 /nfs/dbraw/zinc/52/92/06/402529206.db2.gz BVIPRIWIYWEOMG-UHFFFAOYSA-N 0 0 314.364 2.410 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCc1cccc(-n2cncn2)c1 ZINC000178719738 402530088 /nfs/dbraw/zinc/53/00/88/402530088.db2.gz GYELPVMKTGZBNU-UHFFFAOYSA-N 0 0 317.352 2.377 10 30 DEEERN C[C@@H](CC#N)N(C)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000171551804 402593874 /nfs/dbraw/zinc/59/38/74/402593874.db2.gz RPWYDHQSIFDNKN-LBPRGKRZSA-N 0 0 319.430 2.361 10 30 DEEERN C[C@@H]1OCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1C ZINC000248765265 402607833 /nfs/dbraw/zinc/60/78/33/402607833.db2.gz RMQGNMHUJAWWBU-ZQIUZPCESA-N 0 0 313.401 2.163 10 30 DEEERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CCS1 ZINC000171711798 402613161 /nfs/dbraw/zinc/61/31/61/402613161.db2.gz DLRJUOHMJBWEMQ-SECBINFHSA-N 0 0 316.835 2.338 10 30 DEEERN N#Cc1ccc(CNC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000171751348 402618522 /nfs/dbraw/zinc/61/85/22/402618522.db2.gz RDECQRMDYMIVNP-IRXDYDNUSA-N 0 0 307.353 2.016 10 30 DEEERN CCOC(=O)[C@H](C)CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180545304 402619808 /nfs/dbraw/zinc/61/98/08/402619808.db2.gz NAPVJTKJXMZYSP-GFCCVEGCSA-N 0 0 300.358 2.171 10 30 DEEERN COc1ccc(C[C@@H](C)C(=O)N[C@H](C#N)C2CC2)cc1OC ZINC000180750691 402625283 /nfs/dbraw/zinc/62/52/83/402625283.db2.gz PYLCOVLJTQTGJZ-BXUZGUMPSA-N 0 0 302.374 2.301 10 30 DEEERN COC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)c1ccco1 ZINC000173781969 402712551 /nfs/dbraw/zinc/71/25/51/402712551.db2.gz IXKDGYACOCHPEL-TZMCWYRMSA-N 0 0 314.341 2.422 10 30 DEEERN N#CCCN(CCC#N)C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000182755429 402713902 /nfs/dbraw/zinc/71/39/02/402713902.db2.gz ORBQWVMXGKTQHM-UHFFFAOYSA-N 0 0 313.283 2.105 10 30 DEEERN CCc1nc(CC(=O)NCCOc2ccc(C#N)cc2)cs1 ZINC000173899754 402718252 /nfs/dbraw/zinc/71/82/52/402718252.db2.gz DOHPYYHZMNIGIH-UHFFFAOYSA-N 0 0 315.398 2.315 10 30 DEEERN CO[C@@H](C(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000173903705 402718292 /nfs/dbraw/zinc/71/82/92/402718292.db2.gz DBOCJEXOIFQAIO-QGZVFWFLSA-N 0 0 310.353 2.441 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C(C)C)n1C ZINC000172684799 402670038 /nfs/dbraw/zinc/67/00/38/402670038.db2.gz ZBUAQRQFNNCXQK-UHFFFAOYSA-N 0 0 321.388 2.425 10 30 DEEERN Cn1ncc(N=Cc2ccncc2)c1C(=O)NCc1ccco1 ZINC000254734270 402671242 /nfs/dbraw/zinc/67/12/42/402671242.db2.gz AUAGKTWZBMBLOL-UHFFFAOYSA-N 0 0 309.329 2.089 10 30 DEEERN C=CCOCCCC(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000172943759 402680740 /nfs/dbraw/zinc/68/07/40/402680740.db2.gz PWTFBYLADHJZDY-OAHLLOKOSA-N 0 0 324.465 2.369 10 30 DEEERN C[C@H](COCc1ccccc1)NC(=O)C1(C#N)CCOCC1 ZINC000172958410 402680770 /nfs/dbraw/zinc/68/07/70/402680770.db2.gz YPSMMUBTSKDROI-CQSZACIVSA-N 0 0 302.374 2.028 10 30 DEEERN N#CCCCCNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000172977983 402681602 /nfs/dbraw/zinc/68/16/02/402681602.db2.gz DGMBMURGGZMYRE-KBPBESRZSA-N 0 0 300.358 2.371 10 30 DEEERN N#Cc1cnc2ccccc2c1N1CCN(Cc2cocn2)CC1 ZINC000191938152 402699814 /nfs/dbraw/zinc/69/98/14/402699814.db2.gz HEIMLQBXIRNGFK-UHFFFAOYSA-N 0 0 319.368 2.417 10 30 DEEERN C#CCSCCNC(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000174283203 402734981 /nfs/dbraw/zinc/73/49/81/402734981.db2.gz UEQMFSFRZHGOST-UONOGXRCSA-N 0 0 306.435 2.032 10 30 DEEERN Cc1ccc(OC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)nc1 ZINC000183121722 402740639 /nfs/dbraw/zinc/74/06/39/402740639.db2.gz NDJXVDWIIVVRSJ-UHFFFAOYSA-N 0 0 310.357 2.273 10 30 DEEERN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)Cc2ccc(C#N)cc2)C1 ZINC000174925247 402763886 /nfs/dbraw/zinc/76/38/86/402763886.db2.gz YMIFIIMJZMYWTH-HNNXBMFYSA-N 0 0 314.385 2.291 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCCCOc1ccc(F)cc1 ZINC000182851681 402722005 /nfs/dbraw/zinc/72/20/05/402722005.db2.gz MULWJOMKLXQJJF-AWEZNQCLSA-N 0 0 310.369 2.221 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)NCCOC1CCCC1 ZINC000194310039 402791847 /nfs/dbraw/zinc/79/18/47/402791847.db2.gz YVZKHPBRPJDZLJ-ZDUSSCGKSA-N 0 0 302.374 2.401 10 30 DEEERN N#Cc1nc(NC(=O)c2ccc(N3CCCCC3)cc2)[n-]c1C#N ZINC000175302039 402795351 /nfs/dbraw/zinc/79/53/51/402795351.db2.gz HSJZKVYFGVXWML-UHFFFAOYSA-N 0 0 320.356 2.396 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000273607649 403019219 /nfs/dbraw/zinc/01/92/19/403019219.db2.gz OPMAIJBHVLJJGF-ZDUSSCGKSA-N 0 0 305.353 2.086 10 30 DEEERN C=C(C)CS(=O)(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000280641436 403022261 /nfs/dbraw/zinc/02/22/61/403022261.db2.gz UZRXUKBXVCMJHI-WFASDCNBSA-N 0 0 313.394 2.493 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNc1ccc(C(=O)OC)c(OC)n1 ZINC000280714153 403029269 /nfs/dbraw/zinc/02/92/69/403029269.db2.gz IAZXCOMTTKVEHT-BXUZGUMPSA-N 0 0 306.362 2.270 10 30 DEEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000281552628 403071062 /nfs/dbraw/zinc/07/10/62/403071062.db2.gz VSOVPASTBPGIAI-LBPRGKRZSA-N 0 0 320.389 2.422 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000274846269 403093626 /nfs/dbraw/zinc/09/36/26/403093626.db2.gz SUMNCOVPCBQVLN-CQSZACIVSA-N 0 0 303.406 2.137 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)[C@]2(C)CCCNC2=O)[C@]12CCCO2 ZINC000330307816 286313718 /nfs/dbraw/zinc/31/37/18/286313718.db2.gz LZDBIEGSOLFIJT-UAXWRAGISA-N 0 0 310.394 2.426 10 30 DEEERN C=CCN(C(=O)C(=O)Nc1cc(OC)c(OC)cc1C)C1CC1 ZINC000276025720 403140453 /nfs/dbraw/zinc/14/04/53/403140453.db2.gz IBHHSNSKFFWZLY-UHFFFAOYSA-N 0 0 318.373 2.128 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1ccc2n[nH]c(=S)n2c1 ZINC000283134661 403174258 /nfs/dbraw/zinc/17/42/58/403174258.db2.gz UWOREYBSQVJUKA-UHFFFAOYSA-N 0 0 316.308 2.209 10 30 DEEERN C#CCC(CC#C)C(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000277355166 403208516 /nfs/dbraw/zinc/20/85/16/403208516.db2.gz ICZTUQLCFOHREF-UHFFFAOYSA-N 0 0 310.397 2.329 10 30 DEEERN N#CC1(NC(=O)c2cnc(OCC3CC3)cn2)CCCCC1 ZINC000283870024 403229464 /nfs/dbraw/zinc/22/94/64/403229464.db2.gz NEYJNMLKJRWORM-UHFFFAOYSA-N 0 0 300.362 2.222 10 30 DEEERN C=CCCN(C)C(=O)C(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000276474815 403179086 /nfs/dbraw/zinc/17/90/86/403179086.db2.gz SBXUPIUKFMPONF-UHFFFAOYSA-N 0 0 324.764 2.100 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000345569355 403385076 /nfs/dbraw/zinc/38/50/76/403385076.db2.gz NCLQXNYXJAJAGM-LLVKDONJSA-N 0 0 321.343 2.147 10 30 DEEERN C=CCOc1ccccc1C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C ZINC000286006167 403429383 /nfs/dbraw/zinc/42/93/83/403429383.db2.gz SJVOUKALZWKMHS-BBRMVZONSA-N 0 0 321.417 2.139 10 30 DEEERN CC(C)(C)[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)C[C@@H]1O ZINC000286136448 403457027 /nfs/dbraw/zinc/45/70/27/403457027.db2.gz GDBPPKFFAIIIGP-OCCSQVGLSA-N 0 0 318.377 2.282 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000286831891 403547371 /nfs/dbraw/zinc/54/73/71/403547371.db2.gz XGORTYBGMXXIPS-BXUZGUMPSA-N 0 0 308.809 2.455 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCN(CCc2cccs2)CC1 ZINC000287006034 403551667 /nfs/dbraw/zinc/55/16/67/403551667.db2.gz FKKUOKVSRQKACZ-UHFFFAOYSA-N 0 0 314.454 2.098 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000346040608 403571722 /nfs/dbraw/zinc/57/17/22/403571722.db2.gz AMAGJFPBNVOPQQ-RDJZCZTQSA-N 0 0 311.385 2.407 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CC=CCC3)cc2C1=O ZINC000346219728 403580433 /nfs/dbraw/zinc/58/04/33/403580433.db2.gz MHNDTOVZELSQMO-CYBMUJFWSA-N 0 0 310.353 2.307 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000346908638 403607720 /nfs/dbraw/zinc/60/77/20/403607720.db2.gz DFUUOQLUQSLARH-SJORKVTESA-N 0 0 324.465 2.071 10 30 DEEERN N#Cc1cc(NC[C@H]2CN(C3CC3)CCO2)c2ccccc2n1 ZINC000301399101 403623880 /nfs/dbraw/zinc/62/38/80/403623880.db2.gz OUBOUVGYVWIVJW-HNNXBMFYSA-N 0 0 308.385 2.382 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000287761905 403661584 /nfs/dbraw/zinc/66/15/84/403661584.db2.gz XLUMYWJJNKPPFY-AWEZNQCLSA-N 0 0 313.397 2.414 10 30 DEEERN C=C(CNC(=O)N1CCO[C@@]2(CCCOC2)C1)c1ccccc1 ZINC000287788054 403667243 /nfs/dbraw/zinc/66/72/43/403667243.db2.gz BDGLXKGKPBBAAN-SFHVURJKSA-N 0 0 316.401 2.291 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@@H](C)Oc1cccc(F)c1 ZINC000287873661 403682849 /nfs/dbraw/zinc/68/28/49/403682849.db2.gz AWKNYVYLQABQRN-CYBMUJFWSA-N 0 0 322.380 2.134 10 30 DEEERN C=CC[C@H](CO)Nc1ccccc1S(=O)(=O)C(F)(F)F ZINC000302129078 403707840 /nfs/dbraw/zinc/70/78/40/403707840.db2.gz JOHUSLAYHDKACG-SECBINFHSA-N 0 0 309.309 2.329 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](c1nc(C)cs1)C1CC1 ZINC000288032050 403712747 /nfs/dbraw/zinc/71/27/47/403712747.db2.gz LWLNBYFILXDALL-ZDUSSCGKSA-N 0 0 321.446 2.443 10 30 DEEERN Cc1ccc(N2CCCN(Cc3cscn3)CC2)nc1C#N ZINC000302672357 403712822 /nfs/dbraw/zinc/71/28/22/403712822.db2.gz RZBDJHXYGQHCOI-UHFFFAOYSA-N 0 0 313.430 2.431 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCCC[C@@H]1O ZINC000288043067 403714938 /nfs/dbraw/zinc/71/49/38/403714938.db2.gz DUMGXSBQXWCQMW-ULQDDVLXSA-N 0 0 300.402 2.224 10 30 DEEERN Cc1cc(C)n(CCCNc2ccc([N+](=O)[O-])c(C#N)n2)n1 ZINC000302761960 403723260 /nfs/dbraw/zinc/72/32/60/403723260.db2.gz KKWNQAFDKHQGBH-UHFFFAOYSA-N 0 0 300.322 2.177 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)CCc1ccc(C(N)=O)cc1 ZINC000294767356 403733152 /nfs/dbraw/zinc/73/31/52/403733152.db2.gz QPMGRZRSBITNJU-UHFFFAOYSA-N 0 0 314.307 2.295 10 30 DEEERN C#CCC(CC#C)C(=O)NCc1ccc(NC(=O)N(C)C)cc1 ZINC000288218644 403742125 /nfs/dbraw/zinc/74/21/25/403742125.db2.gz QUFZBZPGOOJVIF-UHFFFAOYSA-N 0 0 311.385 2.059 10 30 DEEERN C#CCC(CC#C)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000288209332 403742263 /nfs/dbraw/zinc/74/22/63/403742263.db2.gz OPBCXQXJAQBMKO-UHFFFAOYSA-N 0 0 311.307 2.060 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@](COC)(C(=O)OCC)C1 ZINC000343852072 403759446 /nfs/dbraw/zinc/75/94/46/403759446.db2.gz LJQKLLYTNJXJGO-PBHICJAKSA-N 0 0 311.422 2.407 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N(C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000410724477 403832687 /nfs/dbraw/zinc/83/26/87/403832687.db2.gz KSKSAMWMBSRYIX-UONOGXRCSA-N 0 0 310.438 2.073 10 30 DEEERN C=CCN(CCc1ccco1)S(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000295158439 403778815 /nfs/dbraw/zinc/77/88/15/403778815.db2.gz MVQSHGYRWUERQN-UKRRQHHQSA-N 0 0 313.419 2.207 10 30 DEEERN N#Cc1cccnc1N1CCC[C@H](Cc2nnc3ccccn32)C1 ZINC000368757248 403849312 /nfs/dbraw/zinc/84/93/12/403849312.db2.gz MDNPRABNRGRLEF-CQSZACIVSA-N 0 0 318.384 2.455 10 30 DEEERN C#CCC(CC#C)C(=O)Nc1n[nH]c(CC)c1Br ZINC000289233918 403879053 /nfs/dbraw/zinc/87/90/53/403879053.db2.gz OSIPCRNDNUVPIA-UHFFFAOYSA-N 0 0 308.179 2.336 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](C)SCc1nnnn1C(C)(C)C ZINC000361905486 403910539 /nfs/dbraw/zinc/91/05/39/403910539.db2.gz PEGCGVYCAPQQJG-LBPRGKRZSA-N 0 0 323.466 2.250 10 30 DEEERN C=CCOCCCC(=O)N[C@@](C)(C(=O)OC)c1ccc(F)cc1 ZINC000362232629 403937560 /nfs/dbraw/zinc/93/75/60/403937560.db2.gz IIWAORBNOVNDPY-QGZVFWFLSA-N 0 0 323.364 2.313 10 30 DEEERN C=C[C@H](C)NC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000362381331 403950702 /nfs/dbraw/zinc/95/07/02/403950702.db2.gz XDNBPOCRERQTRJ-UONOGXRCSA-N 0 0 303.406 2.395 10 30 DEEERN C=CCSc1ccccc1C(=O)N[C@H](C)Cn1cncn1 ZINC000362388206 403951958 /nfs/dbraw/zinc/95/19/58/403951958.db2.gz FOEFCWOECLYIQM-GFCCVEGCSA-N 0 0 302.403 2.375 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)c1ccc2nnn(C)c2c1 ZINC000347923222 403955539 /nfs/dbraw/zinc/95/55/39/403955539.db2.gz GNNPVGRFHHCOSS-UHFFFAOYSA-N 0 0 310.357 2.432 10 30 DEEERN C#CCOc1ccc(CN2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000289552527 403984579 /nfs/dbraw/zinc/98/45/79/403984579.db2.gz RFWFQLUSTSSVGO-SFHVURJKSA-N 0 0 301.386 2.080 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@@H]1C(C)C ZINC000289680486 403991699 /nfs/dbraw/zinc/99/16/99/403991699.db2.gz NEBRTSVVECGPFR-ZIAGYGMSSA-N 0 0 306.410 2.177 10 30 DEEERN C=CCOCC(=O)N(CC(N)=O)[C@H](C)c1ccc(CCC)cc1 ZINC000354726235 403970402 /nfs/dbraw/zinc/97/04/02/403970402.db2.gz IWMYDSINYFOWOO-CQSZACIVSA-N 0 0 318.417 2.217 10 30 DEEERN C=C[C@H](C)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000362611454 403973599 /nfs/dbraw/zinc/97/35/99/403973599.db2.gz CFWRKNHGVVGZOE-NSHDSACASA-N 0 0 316.382 2.039 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1C[C@@H](O)C1 ZINC000296196740 404139430 /nfs/dbraw/zinc/13/94/30/404139430.db2.gz ODJHIFVAGXMTDO-OKILXGFUSA-N 0 0 316.401 2.117 10 30 DEEERN C=CCCN(C)C(=O)C(=O)Nc1cc(-n2cccn2)ccc1C ZINC000355092343 404212480 /nfs/dbraw/zinc/21/24/80/404212480.db2.gz BEKBDHJXVYGADC-UHFFFAOYSA-N 0 0 312.373 2.154 10 30 DEEERN C#CCCNC(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000363581207 404193229 /nfs/dbraw/zinc/19/32/29/404193229.db2.gz WDXVPELHCNUEEZ-UHFFFAOYSA-N 0 0 304.737 2.213 10 30 DEEERN C=CCCCNC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000344529952 404207197 /nfs/dbraw/zinc/20/71/97/404207197.db2.gz ZGBZGMCKJVHENJ-CYBMUJFWSA-N 0 0 324.446 2.123 10 30 DEEERN C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000329108936 404233043 /nfs/dbraw/zinc/23/30/43/404233043.db2.gz ISKAKZHILRJKSS-FMCLSXCISA-N 0 0 315.435 2.304 10 30 DEEERN Cc1nc(C(C)(C)NCC(=O)Nc2nc3c(s2)CCC3)no1 ZINC000329135228 404241962 /nfs/dbraw/zinc/24/19/62/404241962.db2.gz GHGPPJFLXUHCGK-UHFFFAOYSA-N 0 0 321.406 2.436 10 30 DEEERN CC(C)n1ncc2c1C[C@@H](NC(=O)[C@@H](C)n1cncn1)CC2 ZINC000329212451 404265436 /nfs/dbraw/zinc/26/54/36/404265436.db2.gz ZXONGWKPRFRDNH-YPMHNXCESA-N 0 0 302.382 2.131 10 30 DEEERN C=C(C)COc1cc(CN[C@H](CF)C(=O)OC)ccc1OC ZINC000290582073 404228626 /nfs/dbraw/zinc/22/86/26/404228626.db2.gz USEIEEBTZGGYJL-CYBMUJFWSA-N 0 0 311.353 2.251 10 30 DEEERN [O-]C(=[NH+][C@H]1CCc2ncnn2C1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000329468779 404346979 /nfs/dbraw/zinc/34/69/79/404346979.db2.gz XCHRYCQKVSNEOW-HKGGGCDWSA-N 0 0 315.421 2.017 10 30 DEEERN CCC[C@]1(NC(=O)[C@@H]2CSCN2C(=O)CC)CCOC1 ZINC000329366434 404315806 /nfs/dbraw/zinc/31/58/06/404315806.db2.gz IMWHEXWJQLWEFA-FZMZJTMJSA-N 0 0 300.424 2.214 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)NCCCC(C)(F)F)c1 ZINC000297119972 404458480 /nfs/dbraw/zinc/45/84/80/404458480.db2.gz IAJGHAIOWNXTNS-UHFFFAOYSA-N 0 0 323.343 2.341 10 30 DEEERN C#Cc1ccc(CNC(=O)NC[C@@H](c2ccco2)N(C)C)cc1 ZINC000297661468 404583720 /nfs/dbraw/zinc/58/37/20/404583720.db2.gz IZLKYFDJZBFFAN-INIZCTEOSA-N 0 0 311.385 2.363 10 30 DEEERN C[C@H]1OCC[C@H]1NC(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000330204152 404585043 /nfs/dbraw/zinc/58/50/43/404585043.db2.gz BJARNCXTQVJTCD-RAIGVLPGSA-N 0 0 320.393 2.218 10 30 DEEERN Cc1nc([C@@H]2CN(Cc3cn4ccccc4c3C#N)CCO2)no1 ZINC000373771406 404585841 /nfs/dbraw/zinc/58/58/41/404585841.db2.gz OYXZGNVMUZFMSB-INIZCTEOSA-N 0 0 323.356 2.076 10 30 DEEERN CC[C@H](NC(=O)N1CCc2cc[nH]c(=O)c2C1)C1CCOCC1 ZINC000330216899 404589445 /nfs/dbraw/zinc/58/94/45/404589445.db2.gz IDDIHRATHLWRBJ-HNNXBMFYSA-N 0 0 319.405 2.265 10 30 DEEERN C#CCCCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000365265941 404593204 /nfs/dbraw/zinc/59/32/04/404593204.db2.gz IMUVAGRVTALYNU-UHFFFAOYSA-N 0 0 304.434 2.477 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCC(=O)OCC ZINC000345085339 404537144 /nfs/dbraw/zinc/53/71/44/404537144.db2.gz XUMUCZQWGSGGGV-UHFFFAOYSA-N 0 0 320.345 2.453 10 30 DEEERN O=C(CN1CCO[C@@H](C2CC2)C1)Nc1nc2c(s1)CCC2 ZINC000330146002 404564588 /nfs/dbraw/zinc/56/45/88/404564588.db2.gz SORAHUOBSZKEAQ-GFCCVEGCSA-N 0 0 307.419 2.331 10 30 DEEERN C#CCOc1ccc(CNC(=O)N2CCC([C@@H](C)O)CC2)cc1 ZINC000297652207 404579892 /nfs/dbraw/zinc/57/98/92/404579892.db2.gz VUXCVBBLZCXZCJ-CQSZACIVSA-N 0 0 316.401 2.001 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)CCCCO ZINC000297894724 404652002 /nfs/dbraw/zinc/65/20/02/404652002.db2.gz HNVACLUXCSEBTK-WBVHZDCISA-N 0 0 302.418 2.471 10 30 DEEERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@H]1CCCCC12CCCC2 ZINC000330305366 404621793 /nfs/dbraw/zinc/62/17/93/404621793.db2.gz KVMQKSWBENXJTB-ZNMIVQPWSA-N 0 0 308.422 2.428 10 30 DEEERN C=C(C)CS(=O)(=O)N[C@H](CCC(C)(C)C)C(=O)OCC ZINC000357435373 404734646 /nfs/dbraw/zinc/73/46/46/404734646.db2.gz LRZGZEPSIDKILX-GFCCVEGCSA-N 0 0 305.440 2.240 10 30 DEEERN C=CCN(C(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1)C1CC1 ZINC000357508746 404736341 /nfs/dbraw/zinc/73/63/41/404736341.db2.gz FCMBRMJWNKJDTB-KRWDZBQOSA-N 0 0 316.401 2.440 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](OC)c1ccc(O)cc1 ZINC000357643301 404740575 /nfs/dbraw/zinc/74/05/75/404740575.db2.gz BURRWYVHYHHNOA-CWRNSKLLSA-N 0 0 305.374 2.177 10 30 DEEERN CC1(C#N)CCN(C(=O)c2csc(-c3cnccn3)n2)CC1 ZINC000356970447 404722784 /nfs/dbraw/zinc/72/27/84/404722784.db2.gz IRGCLQJJISXVNB-UHFFFAOYSA-N 0 0 313.386 2.366 10 30 DEEERN CCC[C@H](C)N1C[C@@H](C(=O)N2CCC(C)(C#N)CC2)CC1=O ZINC000356982719 404723886 /nfs/dbraw/zinc/72/38/86/404723886.db2.gz VOEMRUCOZPULAZ-KBPBESRZSA-N 0 0 305.422 2.176 10 30 DEEERN N#C[C@H]1CN(C(=O)NC(C2CCC2)C2CCC2)CCN1C1CC1 ZINC000376894063 404830106 /nfs/dbraw/zinc/83/01/06/404830106.db2.gz PKYOTBTTWRQRDF-INIZCTEOSA-N 0 0 316.449 2.337 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000360557198 404831082 /nfs/dbraw/zinc/83/10/82/404831082.db2.gz RTANQYNSWOLXFM-NVXWUHKLSA-N 0 0 319.401 2.274 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000366715101 404835605 /nfs/dbraw/zinc/83/56/05/404835605.db2.gz ZHBBCNBBMKTYJP-ZBFHGGJFSA-N 0 0 318.421 2.280 10 30 DEEERN COc1cccc(C2=CCN(S(=O)(=O)CCCC#N)CC2)c1 ZINC000360955970 404862053 /nfs/dbraw/zinc/86/20/53/404862053.db2.gz CILGBNCSFCAAFT-UHFFFAOYSA-N 0 0 320.414 2.418 10 30 DEEERN C=CCOC[C@H](NC(=O)c1cccc2ccccc21)C(=O)OC ZINC000435139054 404959351 /nfs/dbraw/zinc/95/93/51/404959351.db2.gz MRJQKGSVFSYLOX-INIZCTEOSA-N 0 0 313.353 2.314 10 30 DEEERN COc1cc(C(=O)Nc2cc(C#N)ccn2)cc([N+](=O)[O-])c1C ZINC000435995662 405034990 /nfs/dbraw/zinc/03/49/90/405034990.db2.gz NMXFXZKCAFCZSH-UHFFFAOYSA-N 0 0 312.285 2.431 10 30 DEEERN C=CCCc1ccccc1NC(=O)N1CCO[C@@H]([C@H](C)O)C1 ZINC000417101553 405035324 /nfs/dbraw/zinc/03/53/24/405035324.db2.gz YIAOKXFGXTYARY-XJKSGUPXSA-N 0 0 304.390 2.419 10 30 DEEERN Cc1ccc(N2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)nc1C#N ZINC000408033375 405093993 /nfs/dbraw/zinc/09/39/93/405093993.db2.gz LIJKLHAXFGZJGY-FRFSOERESA-N 0 0 301.390 2.018 10 30 DEEERN C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCCOC3)CC1 ZINC000367415338 405041355 /nfs/dbraw/zinc/04/13/55/405041355.db2.gz MMKIRZCJMZRUQW-SFHVURJKSA-N 0 0 321.465 2.239 10 30 DEEERN N#Cc1cccc(C#N)c1NCc1cccc(N2CCOCC2)n1 ZINC000436333475 405072303 /nfs/dbraw/zinc/07/23/03/405072303.db2.gz JSEFXAHIWSEGKC-UHFFFAOYSA-N 0 0 319.368 2.274 10 30 DEEERN C[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC[S@@]1=O ZINC000407956855 405075291 /nfs/dbraw/zinc/07/52/91/405075291.db2.gz XFQCHEALEOEXJS-BTKVJGODSA-N 0 0 317.336 2.319 10 30 DEEERN CC#CCCNC(=O)N[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000361438455 405076003 /nfs/dbraw/zinc/07/60/03/405076003.db2.gz ZNSCOYNSHRMYEV-CYBMUJFWSA-N 0 0 304.390 2.347 10 30 DEEERN N#Cc1cc(N2CCC[C@@H]2[C@H]2COCC[C@H]2O)nc2ccccc12 ZINC000408172710 405130355 /nfs/dbraw/zinc/13/03/55/405130355.db2.gz ZRYNFBSJFYCKQH-KBAYOESNSA-N 0 0 323.396 2.473 10 30 DEEERN C=CCC1(C(=O)Nc2ccc(OCCOC)nc2)CCOCC1 ZINC000424580896 405121412 /nfs/dbraw/zinc/12/14/12/405121412.db2.gz GCIVRFGMUPYRSS-UHFFFAOYSA-N 0 0 320.389 2.418 10 30 DEEERN C=CCC1(C(=O)NC[C@@H](C)Cn2ccnc2C)CCOCC1 ZINC000424588776 405124667 /nfs/dbraw/zinc/12/46/67/405124667.db2.gz CBYNJKSGJYSLGW-CQSZACIVSA-N 0 0 305.422 2.317 10 30 DEEERN C=CCCn1cc(C(=O)N[C@@H]2COc3c2ccc(C)c3C)nn1 ZINC000424654200 405139154 /nfs/dbraw/zinc/13/91/54/405139154.db2.gz YPXBGDJTEXTYIK-OAHLLOKOSA-N 0 0 312.373 2.335 10 30 DEEERN C=CCCn1cc(C(=O)N[C@H]2COc3c2ccc(C)c3C)nn1 ZINC000424654193 405139387 /nfs/dbraw/zinc/13/93/87/405139387.db2.gz YPXBGDJTEXTYIK-HNNXBMFYSA-N 0 0 312.373 2.335 10 30 DEEERN C=CCC1(C(=O)Nc2ccc3oc(=O)n(C)c3c2)CCOCC1 ZINC000424637273 405135335 /nfs/dbraw/zinc/13/53/35/405135335.db2.gz FHHMFXCFKGBABC-UHFFFAOYSA-N 0 0 316.357 2.443 10 30 DEEERN C=CCC1(C(=O)N2CCOCC3(CCOCC3)C2)CCOCC1 ZINC000424793056 405180492 /nfs/dbraw/zinc/18/04/92/405180492.db2.gz ZXDAPXOQZKDVSV-UHFFFAOYSA-N 0 0 323.433 2.015 10 30 DEEERN C#CCCCS(=O)(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000367901962 405186681 /nfs/dbraw/zinc/18/66/81/405186681.db2.gz NYJXAFZYDHMTBW-JKSUJKDBSA-N 0 0 307.415 2.097 10 30 DEEERN C=CCC1(C(=O)N2C[C@@H](C)O[C@]3(CCCOC3)C2)CCOCC1 ZINC000424840701 405193369 /nfs/dbraw/zinc/19/33/69/405193369.db2.gz RWEATGWJLDWOET-CRAIPNDOSA-N 0 0 323.433 2.156 10 30 DEEERN C=CCC1(C(=O)N[C@H]([C@@H](CO)C2CC2)C2CC2)CCOCC1 ZINC000424865375 405200454 /nfs/dbraw/zinc/20/04/54/405200454.db2.gz DBTFLWIRZQGZIS-HOTGVXAUSA-N 0 0 307.434 2.273 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000437492245 405202009 /nfs/dbraw/zinc/20/20/09/405202009.db2.gz CFKISDPZTUYCKA-AEFFLSMTSA-N 0 0 313.397 2.455 10 30 DEEERN C[C@@H]1N(C(=O)c2ccc(C#N)c(O)c2)CCC12CCOCC2 ZINC000408428191 405204015 /nfs/dbraw/zinc/20/40/15/405204015.db2.gz CDKIUDZJNGCLFM-LBPRGKRZSA-N 0 0 300.358 2.295 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cn(C)nc1-c1ccoc1 ZINC000424921198 405213104 /nfs/dbraw/zinc/21/31/04/405213104.db2.gz FFFSXWDDEOUQEW-FZMZJTMJSA-N 0 0 301.346 2.001 10 30 DEEERN CCC1(CC)CN(c2cc(C#N)cc(C)n2)CCS1(=O)=O ZINC000408468915 405213616 /nfs/dbraw/zinc/21/36/16/405213616.db2.gz OKZFIQHDTPXYQI-UHFFFAOYSA-N 0 0 307.419 2.055 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCOc1cccc(OC)c1 ZINC000424927392 405213985 /nfs/dbraw/zinc/21/39/85/405213985.db2.gz WHQHXMXKEQRECT-BBRMVZONSA-N 0 0 305.374 2.171 10 30 DEEERN C=C[C@](C)(O)CC(=O)NC[C@H](CC(C)C)C(=O)OC(C)(C)C ZINC000424942545 405218177 /nfs/dbraw/zinc/21/81/77/405218177.db2.gz AJBWEXROYRTZIT-GUYCJALGSA-N 0 0 313.438 2.434 10 30 DEEERN C=CCC[C@H]1NC(=O)N(Cc2cn3cc(Cl)ccc3n2)C1=O ZINC000419916738 405271968 /nfs/dbraw/zinc/27/19/68/405271968.db2.gz ACXAEQQJRCYBNI-GFCCVEGCSA-N 0 0 318.764 2.374 10 30 DEEERN C=CC(C)(C)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000452779471 405241820 /nfs/dbraw/zinc/24/18/20/405241820.db2.gz UBRALXZGQSVLLM-CQSZACIVSA-N 0 0 316.401 2.325 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(OCCOC)c1 ZINC000425635255 405309056 /nfs/dbraw/zinc/30/90/56/405309056.db2.gz ILVBDFDRJAJVTL-BBRMVZONSA-N 0 0 320.389 2.424 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H](C(C)C)C1 ZINC000425879614 405326203 /nfs/dbraw/zinc/32/62/03/405326203.db2.gz JAHDPEYHXXISFD-JONQDZQNSA-N 0 0 322.449 2.025 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](CCC)CCCC ZINC000425882285 405326475 /nfs/dbraw/zinc/32/64/75/405326475.db2.gz DKXZXNCLHNAOAA-ZNMIVQPWSA-N 0 0 310.438 2.169 10 30 DEEERN C=CC[C@@H]1N(C(=O)NCCCn2ccnn2)CCCC1(C)C ZINC000445251742 405350171 /nfs/dbraw/zinc/35/01/71/405350171.db2.gz QKNVGJUYDTWTMV-AWEZNQCLSA-N 0 0 305.426 2.445 10 30 DEEERN C=CCn1cc(CNC(=O)N(CC(F)F)CC2CCC2)nn1 ZINC000425564202 405303639 /nfs/dbraw/zinc/30/36/39/405303639.db2.gz LCIMWNMANNZZOY-UHFFFAOYSA-N 0 0 313.352 2.041 10 30 DEEERN C=CCOc1ccc(C[NH2+][C@H](CN2CCCCC2)C(=O)[O-])cc1 ZINC000426716460 405375463 /nfs/dbraw/zinc/37/54/63/405375463.db2.gz MHNULPVJOORNBQ-QGZVFWFLSA-N 0 0 318.417 2.280 10 30 DEEERN CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CC[C@H](CCO)C1 ZINC000456004731 405468267 /nfs/dbraw/zinc/46/82/67/405468267.db2.gz XGYMILVWUDRBLO-MRXNPFEDSA-N 0 0 300.402 2.358 10 30 DEEERN C=C1CC(C)(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000633245006 405524740 /nfs/dbraw/zinc/52/47/40/405524740.db2.gz KPHWOIODRIEVCP-LBPRGKRZSA-N 0 0 305.399 2.030 10 30 DEEERN CC#CCCCC(=O)N[C@H](CC(=O)OCC)c1ccncc1 ZINC000456896395 405610959 /nfs/dbraw/zinc/61/09/59/405610959.db2.gz CKHDTVAZOZKJQD-OAHLLOKOSA-N 0 0 302.374 2.386 10 30 DEEERN CCc1nc(C(C)(C)NCC(=O)Nc2sccc2C#N)no1 ZINC000580512305 405629935 /nfs/dbraw/zinc/62/99/35/405629935.db2.gz SAKVKCAZBWTZFG-UHFFFAOYSA-N 0 0 319.390 2.029 10 30 DEEERN C=CCN1CC[C@H](N(C)C[C@H](OC)c2ccc(F)cc2)C1=O ZINC000528493831 405635008 /nfs/dbraw/zinc/63/50/08/405635008.db2.gz IMLGALFRGQWRGB-HOTGVXAUSA-N 0 0 306.381 2.232 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1coc(CO)c1 ZINC000635919548 405603777 /nfs/dbraw/zinc/60/37/77/405603777.db2.gz KHCKKVSJRWNBPL-UHFFFAOYSA-N 0 0 305.330 2.076 10 30 DEEERN C=CCC1(C(=O)N2CCN(c3ccc(OC)cn3)CC2)CCC1 ZINC000456979259 405640336 /nfs/dbraw/zinc/64/03/36/405640336.db2.gz AHTHUJYXRRCBOF-UHFFFAOYSA-N 0 0 315.417 2.485 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)C[C@@H](n1ccnc1)C(F)(F)F ZINC000635996729 405666703 /nfs/dbraw/zinc/66/67/03/405666703.db2.gz HEPDNRMRIJKSCX-GRYCIOLGSA-N 0 0 317.311 2.226 10 30 DEEERN C=CCOc1ccc(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)cc1 ZINC000449715215 405707829 /nfs/dbraw/zinc/70/78/29/405707829.db2.gz DQGJNHMYPQIOHD-IRXDYDNUSA-N 0 0 321.442 2.403 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000459125032 405759908 /nfs/dbraw/zinc/75/99/08/405759908.db2.gz VUMWBGZLXVGZEB-GXSJLCMTSA-N 0 0 314.307 2.327 10 30 DEEERN C=CCN(C(=O)C[C@H](n1ccnc1)C(F)(F)F)[C@H](C)COC ZINC000636161539 405783131 /nfs/dbraw/zinc/78/31/31/405783131.db2.gz WKXOOTABAIANJY-NEPJUHHUSA-N 0 0 319.327 2.426 10 30 DEEERN C=CCNC(=O)CN1CCN(Cc2c(C)cccc2Cl)CC1 ZINC000450219265 405785496 /nfs/dbraw/zinc/78/54/96/405785496.db2.gz VXDZSELHNAMEDW-UHFFFAOYSA-N 0 0 321.852 2.068 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCC[C@@H](n2ccnn2)CC1)OCC ZINC000636191209 405802526 /nfs/dbraw/zinc/80/25/26/405802526.db2.gz YCPIRCFYDSTMOB-HUUCEWRRSA-N 0 0 306.410 2.203 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000633712512 405805116 /nfs/dbraw/zinc/80/51/16/405805116.db2.gz YGRVKCUZLBLAOA-ZACQAIPSSA-N 0 0 316.401 2.104 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000584122401 405829940 /nfs/dbraw/zinc/82/99/40/405829940.db2.gz QBCQJQCFMRHWIJ-UHFFFAOYSA-N 0 0 306.410 2.439 10 30 DEEERN C=CCOc1ccc(CN2CC[C@@H](C)S(=O)(=O)CC2)cc1 ZINC000432785821 405808204 /nfs/dbraw/zinc/80/82/04/405808204.db2.gz ANPZTNDKUXPXTL-CQSZACIVSA-N 0 0 309.431 2.260 10 30 DEEERN C=CCOc1cccc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000529670172 405763475 /nfs/dbraw/zinc/76/34/75/405763475.db2.gz HVHBAXXSZNKBBN-SJORKVTESA-N 0 0 321.442 2.403 10 30 DEEERN N#Cc1ccc(NC2CC2)c(NC(=O)c2cn3cccnc3n2)c1 ZINC000560711727 405862043 /nfs/dbraw/zinc/86/20/43/405862043.db2.gz QUIKGSHJQWSWLS-UHFFFAOYSA-N 0 0 318.340 2.428 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(CCOc2ncccc2Cl)C1=O ZINC000630979815 405950373 /nfs/dbraw/zinc/95/03/73/405950373.db2.gz WCPGRZDJGBYOBL-LLVKDONJSA-N 0 0 309.753 2.000 10 30 DEEERN CC#CCCCC(=O)NCC(=O)c1cncc(Br)c1 ZINC000633930642 405916381 /nfs/dbraw/zinc/91/63/81/405916381.db2.gz NALUNVNLUAKBJQ-UHFFFAOYSA-N 0 0 323.190 2.337 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)Nc1cccc2c1NC(=O)CO2 ZINC000636368807 405919143 /nfs/dbraw/zinc/91/91/43/405919143.db2.gz LOSMZHKNBDYYPW-INIZCTEOSA-N 0 0 304.346 2.185 10 30 DEEERN C=CC(C)(C)C(=O)NCC(=O)c1cncc(Br)c1 ZINC000633931922 405919671 /nfs/dbraw/zinc/91/96/71/405919671.db2.gz QQUWPKIETNYMQS-UHFFFAOYSA-N 0 0 311.179 2.355 10 30 DEEERN C=CCCS(=O)(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000531685863 405994667 /nfs/dbraw/zinc/99/46/67/405994667.db2.gz ODPQQOWTRQMNKY-CYBMUJFWSA-N 0 0 317.451 2.336 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N[C@@]1(C#N)CCc2ccccc2C1 ZINC000450969211 406004713 /nfs/dbraw/zinc/00/47/13/406004713.db2.gz ZEQPCAPCENJSBQ-SFHVURJKSA-N 0 0 304.353 2.078 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)NCc2cc3c([nH]c2=O)CCC3)C1 ZINC000636782240 406080448 /nfs/dbraw/zinc/08/04/48/406080448.db2.gz ZBBRUSUJRBNPBP-GFCCVEGCSA-N 0 0 301.390 2.384 10 30 DEEERN C=CC[C@H](CO)CNC(=O)c1ccc(C)c(-c2cnn(C)c2)c1 ZINC000632295647 406082580 /nfs/dbraw/zinc/08/25/80/406082580.db2.gz RFWMCEAPRAAEPE-AWEZNQCLSA-N 0 0 313.401 2.310 10 30 DEEERN CC(C)(C)CNC(=O)C(C)(C)NC(=O)Cc1cccc(C#N)c1 ZINC000532589465 406087212 /nfs/dbraw/zinc/08/72/12/406087212.db2.gz ADSDYRRQOJVQPL-UHFFFAOYSA-N 0 0 315.417 2.158 10 30 DEEERN C=CCOCCCC(=O)N[C@](C)(CO)Cc1ccc(F)cc1 ZINC000634295241 406087482 /nfs/dbraw/zinc/08/74/82/406087482.db2.gz WMKGEKXZPUPCSM-KRWDZBQOSA-N 0 0 309.381 2.218 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1ccnc(SC)c1 ZINC000636834791 406094386 /nfs/dbraw/zinc/09/43/86/406094386.db2.gz WRHRUOVKNLJNNT-UHFFFAOYSA-N 0 0 321.446 2.138 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)NCc1ccc2cccnc2c1 ZINC000632347639 406101004 /nfs/dbraw/zinc/10/10/04/406101004.db2.gz UBOFOFHJTATRSU-UHFFFAOYSA-N 0 0 311.385 2.276 10 30 DEEERN C=CCC[C@H](NC(=O)c1cc(-c2ccoc2)n[nH]1)C(=O)OCC ZINC000562636289 406048567 /nfs/dbraw/zinc/04/85/67/406048567.db2.gz NCOSRGMTUHTCTQ-LBPRGKRZSA-N 0 0 317.345 2.297 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N(C)C1CC(C)(C)C1 ZINC000562739343 406054763 /nfs/dbraw/zinc/05/47/63/406054763.db2.gz AIALILBVFSSJKI-CYBMUJFWSA-N 0 0 306.410 2.177 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000562802486 406055669 /nfs/dbraw/zinc/05/56/69/406055669.db2.gz REHDHILMKYQSQF-XGUBFFRZSA-N 0 0 320.437 2.423 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000459820536 406058120 /nfs/dbraw/zinc/05/81/20/406058120.db2.gz IZUOJLPPLYKIBC-UHFFFAOYSA-N 0 0 322.449 2.361 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@@H]1c1cccn1C ZINC000459861786 406063290 /nfs/dbraw/zinc/06/32/90/406063290.db2.gz KEGKCCOTMWESEX-OAHLLOKOSA-N 0 0 303.406 2.113 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1ccc(Cl)cn1 ZINC000636727753 406064425 /nfs/dbraw/zinc/06/44/25/406064425.db2.gz RYHMCKPVJYSCDG-UHFFFAOYSA-N 0 0 323.824 2.460 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N(C)[C@@H](C)c1ccccn1 ZINC000565222073 406070842 /nfs/dbraw/zinc/07/08/42/406070842.db2.gz MUMQATPGAOQLBB-AWEZNQCLSA-N 0 0 303.406 2.464 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc(OC)cc1C ZINC000636753332 406072356 /nfs/dbraw/zinc/07/23/56/406072356.db2.gz WJODCYBIFLHVSJ-UHFFFAOYSA-N 0 0 318.417 2.338 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000565594225 406074363 /nfs/dbraw/zinc/07/43/63/406074363.db2.gz LOWAXESAJZAJED-AAEUAGOBSA-N 0 0 303.358 2.428 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC000637070901 406167435 /nfs/dbraw/zinc/16/74/35/406167435.db2.gz PTXVXMXWTTXZJG-MRXNPFEDSA-N 0 0 313.401 2.240 10 30 DEEERN C=CCn1c(-c2ccoc2)nnc1N1CC(OCC(F)F)C1 ZINC000634341357 406106967 /nfs/dbraw/zinc/10/69/67/406106967.db2.gz UQNJRKNYWNVVBF-UHFFFAOYSA-N 0 0 310.304 2.194 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCC1(COC)CCC1 ZINC000636891046 406114335 /nfs/dbraw/zinc/11/43/35/406114335.db2.gz YYDRSQYSIFYHNK-UHFFFAOYSA-N 0 0 310.438 2.028 10 30 DEEERN N#CCCCCNC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000517780953 406127126 /nfs/dbraw/zinc/12/71/26/406127126.db2.gz WYCZLZLUAFIBSF-UHFFFAOYSA-N 0 0 302.378 2.339 10 30 DEEERN CC(=O)CCCCCNS(=O)(=O)CC1(C#N)CCCC1 ZINC000632416258 406128967 /nfs/dbraw/zinc/12/89/67/406128967.db2.gz XGWDILYCLXAHNN-UHFFFAOYSA-N 0 0 300.424 2.139 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc(C)c(C)n1 ZINC000636956486 406133474 /nfs/dbraw/zinc/13/34/74/406133474.db2.gz OHNUYYQFAPJHQW-UHFFFAOYSA-N 0 0 303.406 2.033 10 30 DEEERN C=CCC1(C(=O)NC2CN(c3ccncn3)C2)CCCCC1 ZINC000634454014 406136461 /nfs/dbraw/zinc/13/64/61/406136461.db2.gz DHXBGQFRADPKOJ-UHFFFAOYSA-N 0 0 300.406 2.308 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCC[C@H]1CCCOC1 ZINC000637039136 406158260 /nfs/dbraw/zinc/15/82/60/406158260.db2.gz UQEFXODBCQZGET-CQSZACIVSA-N 0 0 310.438 2.028 10 30 DEEERN CC#CCCNC(=O)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000483422997 406179341 /nfs/dbraw/zinc/17/93/41/406179341.db2.gz ZARCXBBZJMWIHW-UHFFFAOYSA-N 0 0 319.449 2.270 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCO[C@H](C(F)F)CC1 ZINC000637117547 406181432 /nfs/dbraw/zinc/18/14/32/406181432.db2.gz VMAAVIQCXQPTNL-AGIUHOORSA-N 0 0 318.364 2.033 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000487052016 406201140 /nfs/dbraw/zinc/20/11/40/406201140.db2.gz XCTAKMZLLHRIOH-CABCVRRESA-N 0 0 307.438 2.193 10 30 DEEERN C=CCN(Cc1ccccc1F)C[C@H](O)CC1(O)CCOCC1 ZINC000634644702 406205313 /nfs/dbraw/zinc/20/53/13/406205313.db2.gz ZYINAKRDLITALV-MRXNPFEDSA-N 0 0 323.408 2.106 10 30 DEEERN CC(=O)c1cc(F)ccc1OC[C@H](O)CC1(C#N)CCOCC1 ZINC000634647156 406205578 /nfs/dbraw/zinc/20/55/78/406205578.db2.gz RTRMIFVGSLMWJL-CQSZACIVSA-N 0 0 321.348 2.478 10 30 DEEERN C=CCCCCCNC(=O)N1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000568188031 406206785 /nfs/dbraw/zinc/20/67/85/406206785.db2.gz VOXBJQKYFMYVCP-CQSZACIVSA-N 0 0 316.467 2.342 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000568357776 406217661 /nfs/dbraw/zinc/21/76/61/406217661.db2.gz KTPSELYZXCQJJD-CAPXZKIUSA-N 0 0 314.385 2.354 10 30 DEEERN N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)s1 ZINC000487239974 406219037 /nfs/dbraw/zinc/21/90/37/406219037.db2.gz OBUFHZBPVAFICL-ZDUSSCGKSA-N 0 0 311.366 2.155 10 30 DEEERN CC(=O)c1ccc(S(=O)(=O)N(C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000632665182 406220017 /nfs/dbraw/zinc/22/00/17/406220017.db2.gz HAPMHCNUXFRQSM-DZGCQCFKSA-N 0 0 306.387 2.202 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc(CC)n1C ZINC000568981905 406223233 /nfs/dbraw/zinc/22/32/33/406223233.db2.gz VRJVNHUNIIRCBH-UHFFFAOYSA-N 0 0 301.350 2.478 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1cccc(F)c1F ZINC000569113984 406224121 /nfs/dbraw/zinc/22/41/21/406224121.db2.gz ZTMGFLNZOKTMCD-JSGCOSHPSA-N 0 0 310.344 2.398 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1cccnc1C ZINC000637090857 406174104 /nfs/dbraw/zinc/17/41/04/406174104.db2.gz PKCKHIPHTMNYRE-GOEBONIOSA-N 0 0 315.417 2.257 10 30 DEEERN C=CCCCNC(=O)Cc1nnc(-c2ccccc2OC)o1 ZINC000632797916 406266517 /nfs/dbraw/zinc/26/65/17/406266517.db2.gz PGMSSBAUAMDPCB-UHFFFAOYSA-N 0 0 301.346 2.370 10 30 DEEERN CC#CC[C@H](CO)NC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000637477511 406322738 /nfs/dbraw/zinc/32/27/38/406322738.db2.gz IAAXLDPTTCZRLY-UCDYDWOKSA-N 0 0 318.804 2.052 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCO[C@H](C#N)C1 ZINC000521226416 406337879 /nfs/dbraw/zinc/33/78/79/406337879.db2.gz QRZUISCLHFWPNS-CHWSQXEVSA-N 0 0 319.434 2.151 10 30 DEEERN C=CC[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)cc(N)c2)C1 ZINC000633009467 406352144 /nfs/dbraw/zinc/35/21/44/406352144.db2.gz TWGCZLKVHGICSK-ZDUSSCGKSA-N 0 0 301.390 2.330 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)C1(CC(=O)OC(C)(C)C)CCC1 ZINC000569726958 406296475 /nfs/dbraw/zinc/29/64/75/406296475.db2.gz DVDVBHOIBKGQAB-ZDUSSCGKSA-N 0 0 311.422 2.332 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1nc2ccccc2o1 ZINC000521995681 406382099 /nfs/dbraw/zinc/38/20/99/406382099.db2.gz OHZADBQYORMHQT-JSGCOSHPSA-N 0 0 300.358 2.468 10 30 DEEERN C=CCOCC(=O)N(C)c1nccc(-c2sc(C)nc2C)n1 ZINC000637727881 406406271 /nfs/dbraw/zinc/40/62/71/406406271.db2.gz YVLYDMDLIRVYLY-UHFFFAOYSA-N 0 0 318.402 2.382 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1cccc(OC)c1 ZINC000521866593 406371119 /nfs/dbraw/zinc/37/11/19/406371119.db2.gz OEGUOMGSVYILGX-HOCLYGCPSA-N 0 0 304.390 2.428 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NC[C@H](C)CN1CCOCC1 ZINC000633086872 406376929 /nfs/dbraw/zinc/37/69/29/406376929.db2.gz AXRSJBUMZCKPMS-HNNXBMFYSA-N 0 0 311.470 2.246 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cccnc1OC ZINC000635261360 406479115 /nfs/dbraw/zinc/47/91/15/406479115.db2.gz XJHNSASKJSPCJA-UHFFFAOYSA-N 0 0 305.378 2.137 10 30 DEEERN Cn1nc(CCNC(=O)Cc2cccc(C#N)c2)c2ccccc21 ZINC000547814169 406450785 /nfs/dbraw/zinc/45/07/85/406450785.db2.gz VCUKVJSRCPXPSF-UHFFFAOYSA-N 0 0 318.380 2.346 10 30 DEEERN CN1C(=O)CN(C(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000526015714 406534336 /nfs/dbraw/zinc/53/43/36/406534336.db2.gz MNFVLMDIIPNCPR-LJQANCHMSA-N 0 0 319.364 2.100 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000572151373 406613565 /nfs/dbraw/zinc/61/35/65/406613565.db2.gz PGDOBOWSJARTNU-VGWMRTNUSA-N 0 0 318.421 2.067 10 30 DEEERN C=CCCn1cc(CNC[C@]2(C)COc3ccccc3O2)nn1 ZINC000527740253 406736122 /nfs/dbraw/zinc/73/61/22/406736122.db2.gz ZGCLZYWLRPGGJR-QGZVFWFLSA-N 0 0 314.389 2.174 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1C[C@H](OCC)C12CCC2 ZINC000575118617 406789596 /nfs/dbraw/zinc/78/95/96/406789596.db2.gz DRBSVTVCWNFUBS-AJNGGQMLSA-N 0 0 308.422 2.224 10 30 DEEERN CCOc1cc(C#N)cc([N+](=O)[O-])c1I ZINC000575671762 406817184 /nfs/dbraw/zinc/81/71/84/406817184.db2.gz WWDJKEXRRMAVRF-UHFFFAOYSA-N 0 0 318.070 2.470 10 30 DEEERN N#Cc1cc(I)c(OC(F)F)cc1O ZINC000575662274 406817347 /nfs/dbraw/zinc/81/73/47/406817347.db2.gz UVAJVMKNJGBOFP-UHFFFAOYSA-N 0 0 311.025 2.470 10 30 DEEERN CCOC(=O)Cc1c(OC(F)F)cc(C#N)cc1[N+](=O)[O-] ZINC000575388194 406808907 /nfs/dbraw/zinc/80/89/07/406808907.db2.gz NVMHGXWMSCJVOL-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN CCOC(=O)Cc1cc(C#N)c(OC(F)(F)F)cc1C=O ZINC000575391316 406808979 /nfs/dbraw/zinc/80/89/79/406808979.db2.gz UAMQIMHKYGAVQK-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN Cc1cc(I)cc(NC(=O)CS)c1 ZINC000575577023 406812082 /nfs/dbraw/zinc/81/20/82/406812082.db2.gz BOMSUVKCOXWCAR-UHFFFAOYSA-N 0 0 307.156 2.468 10 30 DEEERN CCOc1c(I)ccc(N)c1CC#N ZINC000575717430 406823454 /nfs/dbraw/zinc/82/34/54/406823454.db2.gz GXSDFTKCNXWYCS-UHFFFAOYSA-N 0 0 302.115 2.338 10 30 DEEERN CSCCCCNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000128857278 195997897 /nfs/dbraw/zinc/99/78/97/195997897.db2.gz ZOMAPRQDMYJKPW-UHFFFAOYSA-N 0 0 302.396 2.119 10 30 DEEERN O=C(NCCc1nccs1)c1ccc(C#CCO)c(Cl)c1 ZINC000128879616 196000152 /nfs/dbraw/zinc/00/01/52/196000152.db2.gz YVRIRAAVIOXEAN-UHFFFAOYSA-N 0 0 320.801 2.113 10 30 DEEERN C#CC[C@@H](CC)NS(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000129165708 196025452 /nfs/dbraw/zinc/02/54/52/196025452.db2.gz QUGYCBOZOXVNRT-MRVPVSSYSA-N 0 0 304.774 2.142 10 30 DEEERN Cn1cc([C@@H]2CCCN2Cc2cnc3ccc(C#N)cn23)cn1 ZINC000131864679 196205307 /nfs/dbraw/zinc/20/53/07/196205307.db2.gz NUPQPNHIOYSJBI-INIZCTEOSA-N 0 0 306.373 2.277 10 30 DEEERN CSCC[C@H](C)NC(=O)c1ccc(F)cc1C#CCCO ZINC000132348465 196248023 /nfs/dbraw/zinc/24/80/23/196248023.db2.gz IXUJVXXUIYAKIK-LBPRGKRZSA-N 0 0 309.406 2.431 10 30 DEEERN CSCC[C@@H](C)NC(=O)c1cc(F)ccc1C#CCCO ZINC000132360804 196249278 /nfs/dbraw/zinc/24/92/78/196249278.db2.gz UEECNSFPFFUMLT-GFCCVEGCSA-N 0 0 309.406 2.431 10 30 DEEERN N#Cc1cc(Br)ccc1NC(=O)c1csnn1 ZINC000132520350 196262061 /nfs/dbraw/zinc/26/20/61/196262061.db2.gz OTINNYCFMJODEX-UHFFFAOYSA-N 0 0 309.148 2.425 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCS[C@@H]2COCC[C@H]21 ZINC000133506275 196330743 /nfs/dbraw/zinc/33/07/43/196330743.db2.gz IRRAUMJROJGKKI-HUUCEWRRSA-N 0 0 302.399 2.213 10 30 DEEERN CC[C@@H](CSC)NC(=O)c1ccc(C#CCCO)c(F)c1 ZINC000133971163 196350745 /nfs/dbraw/zinc/35/07/45/196350745.db2.gz SVZAPJBSYNYCNB-AWEZNQCLSA-N 0 0 309.406 2.431 10 30 DEEERN Cc1cc(C#CCCO)cc(C(=O)N[C@H]2CCCSC2)c1 ZINC000136574837 196542491 /nfs/dbraw/zinc/54/24/91/196542491.db2.gz JXJZOGDMDPCCLA-INIZCTEOSA-N 0 0 303.427 2.354 10 30 DEEERN C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@H](CO)O1 ZINC000191132817 225103540 /nfs/dbraw/zinc/10/35/40/225103540.db2.gz DMUHETLHLOMONT-IUODEOHRSA-N 0 0 317.389 2.101 10 30 DEEERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)n1 ZINC000191688979 225115993 /nfs/dbraw/zinc/11/59/93/225115993.db2.gz LRFAIDYVPQYCLY-QMTHXVAHSA-N 0 0 305.338 2.013 10 30 DEEERN Cc1cccc(S(=O)(=O)CC(=O)Nc2ccc(C#N)cc2)c1 ZINC000194531865 225182942 /nfs/dbraw/zinc/18/29/42/225182942.db2.gz OEWDYNHMFGQMIU-UHFFFAOYSA-N 0 0 314.366 2.279 10 30 DEEERN Cc1ccc([C@H]2CN(CC(=O)N[C@](C)(C#N)C(C)C)CCO2)o1 ZINC000246254161 225225613 /nfs/dbraw/zinc/22/56/13/225225613.db2.gz GVIVESZCRACXIV-NVXWUHKLSA-N 0 0 319.405 2.016 10 30 DEEERN O=C(NC[C@@H]1CCCC[C@@H]1O)N[C@@H]1CCCC12CCOCC2 ZINC000328707117 225786908 /nfs/dbraw/zinc/78/69/08/225786908.db2.gz LSXHTCZAAKPDMS-SOUVJXGZSA-N 0 0 310.438 2.390 10 30 DEEERN C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328732267 225790763 /nfs/dbraw/zinc/79/07/63/225790763.db2.gz HAVJATWTDMLKNH-YPMHNXCESA-N 0 0 319.409 2.369 10 30 DEEERN Cc1csc2c1ncnc2N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000330042712 225962443 /nfs/dbraw/zinc/96/24/43/225962443.db2.gz GVAUXAYVDDVRMB-NSHDSACASA-N 0 0 317.418 2.244 10 30 DEEERN Cc1cc(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)n(C)n1 ZINC000330203954 225979819 /nfs/dbraw/zinc/97/98/19/225979819.db2.gz BERUWRCAEJUHRL-CABCVRRESA-N 0 0 309.373 2.500 10 30 DEEERN CN(C)C1(C#N)CCN(C(=O)N[C@H](C2CC2)C2CCC2)CC1 ZINC000333714401 226109325 /nfs/dbraw/zinc/10/93/25/226109325.db2.gz UEPZJCFDCAFYLU-HNNXBMFYSA-N 0 0 304.438 2.194 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2nccc3ccccc32)CCN1C1CC1 ZINC000370967996 227060440 /nfs/dbraw/zinc/06/04/40/227060440.db2.gz JJKVCPSQWVPFMA-OAHLLOKOSA-N 0 0 306.369 2.047 10 30 DEEERN N#C[C@H]1CN(C(=O)c2sccc2C2CC2)CCN1C1CC1 ZINC000370991117 227062298 /nfs/dbraw/zinc/06/22/98/227062298.db2.gz JLFOCGBBEPYODO-ZDUSSCGKSA-N 0 0 301.415 2.438 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cc(CN2CCCC2)on1 ZINC000291391446 222360784 /nfs/dbraw/zinc/36/07/84/222360784.db2.gz ALQSERPXAGZZGQ-UHFFFAOYSA-N 0 0 317.311 2.461 10 30 DEEERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CCO[C@@H](C#N)C2)cc1 ZINC000408243154 227228878 /nfs/dbraw/zinc/22/88/78/227228878.db2.gz CWMOXNLRHAWQAU-ULQDDVLXSA-N 0 0 314.385 2.214 10 30 DEEERN Cc1ccc([C@@H]2CCCCN2S(=O)(=O)N(C)CCC#N)o1 ZINC000408233530 227229458 /nfs/dbraw/zinc/22/94/58/227229458.db2.gz VOJCBLWLXNOCFT-ZDUSSCGKSA-N 0 0 311.407 2.205 10 30 DEEERN Cc1ccc(NCCS(=O)(=O)c2ccccc2)nc1C#N ZINC000302620324 230320143 /nfs/dbraw/zinc/32/01/43/230320143.db2.gz GTEAMDMXGSDQDP-UHFFFAOYSA-N 0 0 301.371 2.148 10 30 DEEERN N#Cc1nccnc1NCCN1CCc2c(Cl)cccc2C1 ZINC000302651711 230333035 /nfs/dbraw/zinc/33/30/35/230333035.db2.gz JZZNDTGCOUIYEC-UHFFFAOYSA-N 0 0 313.792 2.472 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1ccc2nnc(C(F)(F)F)n2n1 ZINC000521996661 421809590 /nfs/dbraw/zinc/80/95/90/421809590.db2.gz QKRYNMJYIPHJGV-IUCAKERBSA-N 0 0 313.283 2.146 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cc(C)n(C(C)C)n1 ZINC000627686052 421846383 /nfs/dbraw/zinc/84/63/83/421846383.db2.gz SBNGBJHRTGXTBR-UHFFFAOYSA-N 0 0 306.410 2.429 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cc(CC)on1 ZINC000606992682 422460873 /nfs/dbraw/zinc/46/08/73/422460873.db2.gz PRXJYMUMKGQGPT-UHFFFAOYSA-N 0 0 313.357 2.390 10 30 DEEERN CCN(CC(F)F)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000186448986 266107972 /nfs/dbraw/zinc/10/79/72/266107972.db2.gz VZMIKZOEYLCWNG-UHFFFAOYSA-N 0 0 308.737 2.487 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@H](c3nnc(N)o3)C2)CCCC1 ZINC000636198179 424848262 /nfs/dbraw/zinc/84/82/62/424848262.db2.gz SFRWOEIWJFZNIM-LBPRGKRZSA-N 0 0 304.394 2.494 10 30 DEEERN N#Cc1ccsc1C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000362189123 424850957 /nfs/dbraw/zinc/85/09/57/424850957.db2.gz JYEWTUDLAFBIOL-UHFFFAOYSA-N 0 0 318.305 2.828 10 30 DEEERN C=CCC(CC=C)C(=O)N1CCC[C@H](c2ccnc(N)n2)C1 ZINC000367121491 424866787 /nfs/dbraw/zinc/86/67/87/424866787.db2.gz PJCZEYXGJAWXCA-AWEZNQCLSA-N 0 0 300.406 2.533 10 30 DEEERN CC(=O)N1CCCN(C(=O)c2ccnc(C#N)c2)c2ccccc21 ZINC000193358208 424868337 /nfs/dbraw/zinc/86/83/37/424868337.db2.gz FRJVNVJMNCEJAO-UHFFFAOYSA-N 0 0 320.352 2.357 10 30 DEEERN N#CC1CCC(CNC(=O)Nc2nnc(C3CC3)s2)CC1 ZINC000574832636 424944288 /nfs/dbraw/zinc/94/42/88/424944288.db2.gz GAXNYYGMJMDFAC-UHFFFAOYSA-N 0 0 305.407 2.867 10 30 DEEERN CCOC(=O)c1cnc(NCC2CCC(C#N)CC2)nc1C ZINC000562455948 424892682 /nfs/dbraw/zinc/89/26/82/424892682.db2.gz ZAWRDZIKFVDPEQ-UHFFFAOYSA-N 0 0 302.378 2.704 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNc1ccc(C(=O)OC(C)(C)C)cn1 ZINC000591951308 425002969 /nfs/dbraw/zinc/00/29/69/425002969.db2.gz WIIUGUCIAGEWAJ-JSGCOSHPSA-N 0 0 304.390 3.040 10 30 DEEERN C=CCCC[C@H](C)NC(=O)Nc1ccn(C(C)(C)C(=O)OC)n1 ZINC000597068838 425031474 /nfs/dbraw/zinc/03/14/74/425031474.db2.gz COPFVTZJUWKENJ-LBPRGKRZSA-N 0 0 322.409 2.658 10 30 DEEERN N#Cc1ccc(Cl)cc1N1CC[C@@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000600879962 425047333 /nfs/dbraw/zinc/04/73/33/425047333.db2.gz LTBNZUPMALNKCG-SNVBAGLBSA-N 0 0 315.764 2.283 10 30 DEEERN COC(=O)c1cc(CNC(=O)Cc2cccc(C#N)c2)oc1C ZINC000531148015 267401321 /nfs/dbraw/zinc/40/13/21/267401321.db2.gz BPQHFSAYTFBBOE-UHFFFAOYSA-N 0 0 312.325 2.105 10 30 DEEERN CNC(=O)Cc1nc(CNc2cc(C#N)ccc2C)cs1 ZINC000178026332 267570130 /nfs/dbraw/zinc/57/01/30/267570130.db2.gz OFQAMXIYSXQLPS-UHFFFAOYSA-N 0 0 300.387 2.224 10 30 DEEERN CCCC(=O)N[C@@H]1CCCN(C(=O)c2cccc(F)c2C#N)C1 ZINC000187397280 267661368 /nfs/dbraw/zinc/66/13/68/267661368.db2.gz RBBDDUPLFBZLAR-GFCCVEGCSA-N 0 0 317.364 2.218 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1CCCC[C@@H]1CN1CCOCC1)OCC ZINC000339370152 275739467 /nfs/dbraw/zinc/73/94/67/275739467.db2.gz PAXGJPLFOKKLGJ-IAGOWNOFSA-N 0 0 324.465 2.071 10 30 DEEERN C=CC[C@@H](C)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000135047575 275748425 /nfs/dbraw/zinc/74/84/25/275748425.db2.gz KGHMVFAEKDPIOU-DIOULYMOSA-N 0 0 304.365 2.426 10 30 DEEERN CC(C)[C@H](C)NC(=O)CN1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000373835919 280216079 /nfs/dbraw/zinc/21/60/79/280216079.db2.gz JCKRVFCFBMHWRQ-ZMSDIMECSA-N 0 0 307.438 2.074 10 30 DEEERN Cc1cc(C)c(C#N)c(N[C@@H]2CCCN(c3ncccn3)C2)n1 ZINC000076839949 280381265 /nfs/dbraw/zinc/38/12/65/280381265.db2.gz XXGYNCBSXXRFGR-CQSZACIVSA-N 0 0 308.389 2.441 10 30 DEEERN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(C#N)cn1C ZINC000080944045 281601561 /nfs/dbraw/zinc/60/15/61/281601561.db2.gz NBASVZZZDUTIAI-UHFFFAOYSA-N 0 0 311.341 2.288 10 30 DEEERN Cc1nnc([C@H]2CCCCN2C(=O)c2ccc(C#N)c(C)n2)[nH]1 ZINC000407982336 293383443 /nfs/dbraw/zinc/38/34/43/293383443.db2.gz XUXZUCPOFFPPQQ-CQSZACIVSA-N 0 0 310.361 2.056 10 30 DEEERN Cc1sc(NC(=O)CN2CCOCC[C@H]2C)c(C#N)c1C ZINC000378462821 294076564 /nfs/dbraw/zinc/07/65/64/294076564.db2.gz NZAAWEJGKHVRCP-SNVBAGLBSA-N 0 0 307.419 2.286 10 30 DEEERN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)NCC1CCC(C#N)CC1 ZINC000441031073 298125255 /nfs/dbraw/zinc/12/52/55/298125255.db2.gz GHCIYNALXDEXTO-IYXRBSQSSA-N 0 0 322.453 2.261 10 30 DEEERN Cn1cc(C(=O)N2CCSC[C@@H]2C#N)c2cc(F)ccc21 ZINC000435799197 302907478 /nfs/dbraw/zinc/90/74/78/302907478.db2.gz PKLJTAINYOYANM-NSHDSACASA-N 0 0 303.362 2.399 10 30 DEEERN N#C[C@@H]1CN(C(=O)[C@H]2C[C@]23CCc2ccccc23)CCN1C1CC1 ZINC000369762794 303161877 /nfs/dbraw/zinc/16/18/77/303161877.db2.gz JUCFVPOBUYOUKY-POAQFYNOSA-N 0 0 321.424 2.089 10 30 DEEERN COC(=O)[C@H](NCCOCC1CCC1)c1cccc(C#N)c1 ZINC000574495857 326159494 /nfs/dbraw/zinc/15/94/94/326159494.db2.gz XITMZZDBFQQIAS-MRXNPFEDSA-N 0 0 302.374 2.179 10 30 DEEERN C=CCOCCCC(=O)N[C@H](C)c1nnc2n1CCCCC2 ZINC000363416351 331902592 /nfs/dbraw/zinc/90/25/92/331902592.db2.gz ZZIATQXTEFTPRB-CYBMUJFWSA-N 0 0 306.410 2.165 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000186650157 332940812 /nfs/dbraw/zinc/94/08/12/332940812.db2.gz ILWHLDNDXUOZRL-VIFPVBQESA-N 0 0 307.774 2.003 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1noc2ccc(OC)cc12 ZINC000562995919 333026127 /nfs/dbraw/zinc/02/61/27/333026127.db2.gz DOHKNUXIOIQIHH-NHYWBVRUSA-N 0 0 316.357 2.086 10 30 DEEERN C=CC[C@H](CC)NC(=O)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000343766239 335191511 /nfs/dbraw/zinc/19/15/11/335191511.db2.gz DOIHYPFHQBFTJK-AWEZNQCLSA-N 0 0 324.446 2.134 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000519359704 335838471 /nfs/dbraw/zinc/83/84/71/335838471.db2.gz BXQQLFABLDITIF-TUAOUCFPSA-N 0 0 315.425 2.049 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N(CC)C1CCCC1 ZINC000583675737 336395193 /nfs/dbraw/zinc/39/51/93/336395193.db2.gz YTJKWYJGXNLRBQ-UHFFFAOYSA-N 0 0 315.425 2.337 10 30 DEEERN N#C[C@@H]1CN(C(=O)Nc2cc(F)c(F)c(F)c2)CCN1C1CC1 ZINC000361480190 336758434 /nfs/dbraw/zinc/75/84/34/336758434.db2.gz ZDTGTTSFRPGFOS-LLVKDONJSA-N 0 0 324.306 2.308 10 30 DEEERN C=CCCO[C@H](C)C(=O)Nc1ccnc(C)c1Br ZINC000527091569 337312612 /nfs/dbraw/zinc/31/26/12/337312612.db2.gz XBZFYNYDBFKFCR-SNVBAGLBSA-N 0 0 313.195 2.494 10 30 DEEERN CN(C)C(=NC#N)Nc1ccccc1I ZINC000584613625 337372555 /nfs/dbraw/zinc/37/25/55/337372555.db2.gz CDUSGJFJNSCMET-UHFFFAOYSA-N 0 0 314.130 2.102 10 30 DEEERN CCCCNN=CNS(=O)(=O)c1ccc2ccccc2c1 ZINC000584626908 337376067 /nfs/dbraw/zinc/37/60/67/337376067.db2.gz MFGXZUBMLAZPOI-UHFFFAOYSA-N 0 0 305.403 2.451 10 30 DEEERN C=CCOc1ccc(CN2CC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000430201070 338101089 /nfs/dbraw/zinc/10/10/89/338101089.db2.gz IWAHNLJDVMMPTI-OAHLLOKOSA-N 0 0 309.431 2.118 10 30 DEEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(CC)c(S(N)(=O)=O)c1 ZINC000184245880 340491574 /nfs/dbraw/zinc/49/15/74/340491574.db2.gz FQGHBUVWQRAPGX-NSHDSACASA-N 0 0 310.419 2.437 10 30 DEEERN C=CCCCN(C)C(=O)NCCOc1ccc(C(=O)OC)cc1 ZINC000523000542 340613090 /nfs/dbraw/zinc/61/30/90/340613090.db2.gz VDYSIELAJQVRQV-UHFFFAOYSA-N 0 0 320.389 2.460 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC000530379608 340789871 /nfs/dbraw/zinc/78/98/71/340789871.db2.gz BOJSHBSFWHEINY-UHFFFAOYSA-N 0 0 315.366 2.199 10 30 DEEERN CCOc1ccc(S(=O)(=O)NC(C)(C)C#N)cc1OCC ZINC000544618270 341089452 /nfs/dbraw/zinc/08/94/52/341089452.db2.gz JJUJOUWWOWYMRD-UHFFFAOYSA-N 0 0 312.391 2.064 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)Nc1cccc(N2C(=O)CNC2=O)c1 ZINC000545222352 341115327 /nfs/dbraw/zinc/11/53/27/341115327.db2.gz RIKPLDQZJXGXAF-LLVKDONJSA-N 0 0 301.346 2.284 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC000546639111 341176659 /nfs/dbraw/zinc/17/66/59/341176659.db2.gz ZGJQURXOLYIDRZ-LBPRGKRZSA-N 0 0 307.415 2.235 10 30 DEEERN C=CCCC(=O)Cn1c(=O)onc1-c1ccc(OC)c(OC)c1 ZINC000134809473 341224550 /nfs/dbraw/zinc/22/45/50/341224550.db2.gz NTJBBTVRAXJIBO-UHFFFAOYSA-N 0 0 318.329 2.056 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000135250264 341234391 /nfs/dbraw/zinc/23/43/91/341234391.db2.gz IMWPEZRHBGNRMG-YOEHRIQHSA-N 0 0 301.390 2.296 10 30 DEEERN C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000135250248 341234451 /nfs/dbraw/zinc/23/44/51/341234451.db2.gz IMWPEZRHBGNRMG-WMLDXEAASA-N 0 0 301.390 2.296 10 30 DEEERN C=CCCc1ccccc1NC(=O)NC[C@H](C)S(C)(=O)=O ZINC000548812207 341276642 /nfs/dbraw/zinc/27/66/42/341276642.db2.gz IIMMTRTVSOYVFL-LBPRGKRZSA-N 0 0 310.419 2.360 10 30 DEEERN C=C(C)Cn1c(-c2scnc2C)nnc1N1CCOCC1 ZINC000566217455 341551066 /nfs/dbraw/zinc/55/10/66/341551066.db2.gz OJJYCVKOZUYYFZ-UHFFFAOYSA-N 0 0 305.407 2.123 10 30 DEEERN C=CCn1c(C(C)C)nnc1N1CCO[C@@]2(CCSC2)C1 ZINC000574082141 341747939 /nfs/dbraw/zinc/74/79/39/341747939.db2.gz KOUSCIHHKYNSTM-HNNXBMFYSA-N 0 0 308.451 2.300 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000576818307 341864695 /nfs/dbraw/zinc/86/46/95/341864695.db2.gz DXEJFXMKUMCZNW-XEGUGMAKSA-N 0 0 307.394 2.113 10 30 DEEERN C=CCn1c(N2CCOC3(CCC3)C2)nnc1[C@@]1(C)CCCO1 ZINC000577580128 341920110 /nfs/dbraw/zinc/92/01/10/341920110.db2.gz JDURMJLTRZDKHJ-MRXNPFEDSA-N 0 0 318.421 2.249 10 30 DEEERN C=CCNc1ncc(C(=O)NCc2ccc(CO)c(F)c2)s1 ZINC000178527952 341957186 /nfs/dbraw/zinc/95/71/86/341957186.db2.gz GZRBCIXSSCFOAU-UHFFFAOYSA-N 0 0 321.377 2.302 10 30 DEEERN C=CCCCNC(=O)Nc1ccc(F)c(S(C)(=O)=O)c1 ZINC000455811614 500574459 /nfs/dbraw/zinc/57/44/59/500574459.db2.gz AQCSVFWWWWEYDH-UHFFFAOYSA-N 0 0 300.355 2.317 10 30 DEEERN COc1cc(C#N)ccc1NS(=O)(=O)N1CCCCCC1 ZINC000127027013 500838166 /nfs/dbraw/zinc/83/81/66/500838166.db2.gz JMHYPDGSYGGMEN-UHFFFAOYSA-N 0 0 309.391 2.100 10 30 DEEERN C[C@@H]1CCC[C@](C#N)(NC(=O)c2nn(C)c3ccccc3c2=O)C1 ZINC000408003361 533899072 /nfs/dbraw/zinc/89/90/72/533899072.db2.gz FLPSNXJNLHMHOB-XIKOKIGWSA-N 0 0 324.384 2.136 10 30 DEEERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C#N)C1CC1 ZINC000108830068 534009079 /nfs/dbraw/zinc/00/90/79/534009079.db2.gz BJRMGAIHQRMVLD-NOZJJQNGSA-N 0 0 305.359 2.494 10 30 DEEERN C=C(CC)CNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000454167964 534411881 /nfs/dbraw/zinc/41/18/81/534411881.db2.gz AGDGUIOTRICMRA-LBPRGKRZSA-N 0 0 310.419 2.417 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N(C)C[C@@H](C)CC ZINC000453428315 534426272 /nfs/dbraw/zinc/42/62/72/534426272.db2.gz PVJJNMPCHNSXGN-NSHDSACASA-N 0 0 303.414 2.050 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N(CC)CCC1CC1 ZINC000453422225 534427478 /nfs/dbraw/zinc/42/74/78/534427478.db2.gz JYCPNZVMHIYLNQ-UHFFFAOYSA-N 0 0 315.425 2.194 10 30 DEEERN Cc1oc2ccccc2c1CC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000373355229 534553225 /nfs/dbraw/zinc/55/32/25/534553225.db2.gz UEUVDFXWYIPEIV-OAHLLOKOSA-N 0 0 323.396 2.483 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCc2cccc(OC)c2CC1 ZINC000451259192 534578968 /nfs/dbraw/zinc/57/89/68/534578968.db2.gz BNHQPWAUMYFBRD-CVEARBPZSA-N 0 0 301.386 2.214 10 30 DEEERN N#CC1CCC(CNC(=O)NC[C@@H]2COC3(CCCC3)O2)CC1 ZINC000374149279 534580446 /nfs/dbraw/zinc/58/04/46/534580446.db2.gz RNGKQAVRSJIRKE-YMAMQOFZSA-N 0 0 321.421 2.301 10 30 DEEERN CC(C)(C)C[C@H](CO)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000129689401 534637057 /nfs/dbraw/zinc/63/70/57/534637057.db2.gz ILDVIFIATXTDTC-CQSZACIVSA-N 0 0 319.405 2.033 10 30 DEEERN Cc1csc(C2(NCC(=O)N[C@](C)(C#N)C(C)C)CCC2)n1 ZINC000265542740 534794571 /nfs/dbraw/zinc/79/45/71/534794571.db2.gz WZKDLAQLBMCHLU-OAHLLOKOSA-N 0 0 320.462 2.475 10 30 DEEERN C[C@H]1CN(C(=O)c2sccc2C#N)CC2(CCOCC2)O1 ZINC000365585784 524551102 /nfs/dbraw/zinc/55/11/02/524551102.db2.gz NPSOCMQXHIOQKY-NSHDSACASA-N 0 0 306.387 2.030 10 30 DEEERN Cc1csc(C2(NC(=O)Cn3cccnc3=O)CCC2)n1 ZINC000329291653 534793280 /nfs/dbraw/zinc/79/32/80/534793280.db2.gz ISKWFBPEPUDFLN-UHFFFAOYSA-N 0 0 304.375 2.044 10 30 DEEERN C=CCC[C@H](CO)NC(=O)C(=O)Nc1cc(CC)ccc1CC ZINC000454053360 534802106 /nfs/dbraw/zinc/80/21/06/534802106.db2.gz IEYPQMIBBXPIMW-OAHLLOKOSA-N 0 0 318.417 2.193 10 30 DEEERN C=CCN(CCOC)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000190456214 526285893 /nfs/dbraw/zinc/28/58/93/526285893.db2.gz LNXGXKNNPGKKKB-UHFFFAOYSA-N 0 0 305.374 2.051 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000413886180 526290812 /nfs/dbraw/zinc/29/08/12/526290812.db2.gz VFTWEPVJWIKGRI-HNNXBMFYSA-N 0 0 321.396 2.248 10 30 DEEERN C=CCN(CCOC)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000189423695 526302013 /nfs/dbraw/zinc/30/20/13/526302013.db2.gz UWMRCRKXUHSYIG-UHFFFAOYSA-N 0 0 319.430 2.108 10 30 DEEERN C=CCN(CCOC)S(=O)(=O)c1cc(C)cc(C)c1OC ZINC000337789080 526302124 /nfs/dbraw/zinc/30/21/24/526302124.db2.gz ZTTPWEHTOBCFCO-UHFFFAOYSA-N 0 0 313.419 2.135 10 30 DEEERN CC#CCCNC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000361522841 526327363 /nfs/dbraw/zinc/32/73/63/526327363.db2.gz BVNLSFRPEOPLGW-GFCCVEGCSA-N 0 0 306.797 2.026 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1CC(C)(O)C1 ZINC000448819038 526346410 /nfs/dbraw/zinc/34/64/10/526346410.db2.gz RZHBRIPPVFAKEC-UHFFFAOYSA-N 0 0 304.346 2.270 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NCCC ZINC000411188462 526349519 /nfs/dbraw/zinc/34/95/19/526349519.db2.gz DFIXQKXINLWQAT-ZDUSSCGKSA-N 0 0 305.378 2.498 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(CC=C)C1=O ZINC000337131509 526350225 /nfs/dbraw/zinc/35/02/25/526350225.db2.gz JUHPSXQBQRFUED-MRXNPFEDSA-N 0 0 315.373 2.370 10 30 DEEERN CC#CCN(C)C(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000341014001 526351118 /nfs/dbraw/zinc/35/11/18/526351118.db2.gz DZNSPKLOLPLZRA-CYBMUJFWSA-N 0 0 316.426 2.243 10 30 DEEERN C=CCN(Cc1cccs1)S(=O)(=O)c1ccnn1CC ZINC000351539449 526376790 /nfs/dbraw/zinc/37/67/90/526376790.db2.gz ASSUOSQPXJJLNH-UHFFFAOYSA-N 0 0 311.432 2.341 10 30 DEEERN CC#CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000245718595 526377504 /nfs/dbraw/zinc/37/75/04/526377504.db2.gz VLCOUNXMDUZHSI-GJZGRUSLSA-N 0 0 307.344 2.033 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H]3C)cc2C1=O ZINC000337137305 526411461 /nfs/dbraw/zinc/41/14/61/526411461.db2.gz FHYILCCDJYGTFG-IAQYHMDHSA-N 0 0 312.369 2.387 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)[C@@H](CC)c2c(C)noc2C)C1=O ZINC000341613968 526495342 /nfs/dbraw/zinc/49/53/42/526495342.db2.gz NTPMUIBEBMQBNH-KBPBESRZSA-N 0 0 319.405 2.030 10 30 DEEERN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(C)=C(c2ccco2)C1 ZINC000374616934 526598685 /nfs/dbraw/zinc/59/86/85/526598685.db2.gz DBIMYBMFGQTUON-CYBMUJFWSA-N 0 0 317.389 2.159 10 30 DEEERN C=CCNC(=O)[C@H](C)SCc1cn(-c2ccccc2)nn1 ZINC000338952684 526637917 /nfs/dbraw/zinc/63/79/17/526637917.db2.gz HXIXNOKCNRKNLE-LBPRGKRZSA-N 0 0 302.403 2.191 10 30 DEEERN N#Cc1ccc(NC(=O)CN2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000154692364 526651185 /nfs/dbraw/zinc/65/11/85/526651185.db2.gz FXHIZNUXVNWIJJ-QGZVFWFLSA-N 0 0 322.368 2.045 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000280618384 526674888 /nfs/dbraw/zinc/67/48/88/526674888.db2.gz RHIDSEGTEHDJAX-UHFFFAOYSA-N 0 0 320.414 2.307 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000376900949 526675113 /nfs/dbraw/zinc/67/51/13/526675113.db2.gz BIUBIBPHOLUKEQ-AWEZNQCLSA-N 0 0 315.804 2.093 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282478192 526676355 /nfs/dbraw/zinc/67/63/55/526676355.db2.gz XJNUTAADKVPWEE-CQSZACIVSA-N 0 0 323.462 2.305 10 30 DEEERN C#CCCCCNC(=O)N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000368342426 526699519 /nfs/dbraw/zinc/69/95/19/526699519.db2.gz GVFVKUVQYWUTTD-OAHLLOKOSA-N 0 0 319.405 2.395 10 30 DEEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCO[C@@H](CF)C1 ZINC000414540040 526719215 /nfs/dbraw/zinc/71/92/15/526719215.db2.gz OJBLSMTTXDOFAE-ZDUSSCGKSA-N 0 0 306.341 2.289 10 30 DEEERN C#CCCNC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000369286817 526733521 /nfs/dbraw/zinc/73/35/21/526733521.db2.gz XCROPDLKIKFNRP-UHFFFAOYSA-N 0 0 317.364 2.209 10 30 DEEERN C#CCCNC(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000363581703 526733980 /nfs/dbraw/zinc/73/39/80/526733980.db2.gz YYAJZQJAVWIXAH-UHFFFAOYSA-N 0 0 304.737 2.213 10 30 DEEERN C#CCCOc1ccc(CN2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000371327377 526741743 /nfs/dbraw/zinc/74/17/43/526741743.db2.gz NGHFGKQVIOYBSN-SFHVURJKSA-N 0 0 309.413 2.261 10 30 DEEERN C=CCOCCCC(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000188270756 526746448 /nfs/dbraw/zinc/74/64/48/526746448.db2.gz ZRXQXHJCWPCKJB-UHFFFAOYSA-N 0 0 300.362 2.248 10 30 DEEERN C=C(C)[C@@H](CC(=O)N[C@@H](CC(=O)NC)c1ccccc1)OCC ZINC000362045812 526750352 /nfs/dbraw/zinc/75/03/52/526750352.db2.gz FAZRYKYALMJYGO-JKSUJKDBSA-N 0 0 318.417 2.351 10 30 DEEERN C=C(C)[C@@H](CC(=O)N[C@@H](c1nc[nH]n1)c1ccccc1)OCC ZINC000368813897 526750832 /nfs/dbraw/zinc/75/08/32/526750832.db2.gz MFBYUTAXSSLUIT-GDBMZVCRSA-N 0 0 314.389 2.382 10 30 DEEERN C=CCOCCNC(=O)N(C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000378588068 526774572 /nfs/dbraw/zinc/77/45/72/526774572.db2.gz ABFHCEGRPFFBLQ-XJKSGUPXSA-N 0 0 304.390 2.223 10 30 DEEERN C=CCOCCNC(=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000378645430 526776762 /nfs/dbraw/zinc/77/67/62/526776762.db2.gz FDMUADGALWKTDU-HNNXBMFYSA-N 0 0 308.353 2.191 10 30 DEEERN C=CCOCCNC(=O)N[C@H]1CCOc2cc(OC)ccc21 ZINC000378589542 526781349 /nfs/dbraw/zinc/78/13/49/526781349.db2.gz OKNPCORMKPNQET-AWEZNQCLSA-N 0 0 306.362 2.021 10 30 DEEERN C=C(C)[C@H](CC(=O)NC[C@@H]1COc2ccccc2O1)OCC ZINC000339433572 526813137 /nfs/dbraw/zinc/81/31/37/526813137.db2.gz NASYGVFLVNSXKE-CJNGLKHVSA-N 0 0 305.374 2.314 10 30 DEEERN C=C(C)[C@H](CC(=O)NCc1nnc(C2CCC2)n1C)OCC ZINC000359733351 526815224 /nfs/dbraw/zinc/81/52/24/526815224.db2.gz VEJLHPTWWHUSQK-ZDUSSCGKSA-N 0 0 306.410 2.070 10 30 DEEERN C=CCC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000298680221 526993853 /nfs/dbraw/zinc/99/38/53/526993853.db2.gz MROWVQISDGZMNS-HNNXBMFYSA-N 0 0 302.418 2.404 10 30 DEEERN C=CCSCCNS(=O)(=O)Cc1ccccc1COC ZINC000344374593 527005430 /nfs/dbraw/zinc/00/54/30/527005430.db2.gz LDMOQEYSTZUQKW-UHFFFAOYSA-N 0 0 315.460 2.172 10 30 DEEERN C=CCC(CC=C)C(=O)N1C[C@@H](OC)C[C@@H]1CC(=O)OCC ZINC000372234471 527025864 /nfs/dbraw/zinc/02/58/64/527025864.db2.gz YLKYEUXFMJXOOY-CABCVRRESA-N 0 0 309.406 2.324 10 30 DEEERN C=CCC1(C(=O)N2C[C@H](OC)C[C@@H]2CC(=O)OCC)CCC1 ZINC000372785457 527050637 /nfs/dbraw/zinc/05/06/37/527050637.db2.gz QIIOBBGKMDAERY-ZIAGYGMSSA-N 0 0 309.406 2.302 10 30 DEEERN C=CCC1(C(=O)N[C@@H](C/C=C\C)C(=O)OCC)CCOCC1 ZINC000424772306 527056065 /nfs/dbraw/zinc/05/60/65/527056065.db2.gz DTVHIESOYSMSKI-ZBKLQPJUSA-N 0 0 309.406 2.373 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)NCc1ccc(OCC)c(F)c1 ZINC000341802878 527065291 /nfs/dbraw/zinc/06/52/91/527065291.db2.gz SJTVHUJDAVXDMH-CYBMUJFWSA-N 0 0 310.369 2.208 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C(C)(C)Cc1nc2ccccc2[nH]1 ZINC000282453525 527086314 /nfs/dbraw/zinc/08/63/14/527086314.db2.gz SXQAWADSWLEMTG-LBPRGKRZSA-N 0 0 301.390 2.185 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)N1CCO[C@H](C2CC2)C1 ZINC000364506885 527090507 /nfs/dbraw/zinc/09/05/07/527090507.db2.gz GZNUMADAAKBMHO-INIZCTEOSA-N 0 0 318.348 2.480 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccccc1-c1noc(C)n1 ZINC000370376262 527095285 /nfs/dbraw/zinc/09/52/85/527095285.db2.gz YCUOOXKRTMHWLD-NSHDSACASA-N 0 0 302.334 2.104 10 30 DEEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000413840781 527106393 /nfs/dbraw/zinc/10/63/93/527106393.db2.gz VZLOHAFUKHCUPQ-HOCLYGCPSA-N 0 0 315.417 2.046 10 30 DEEERN C=CCCCCCN(C)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000172667866 527129209 /nfs/dbraw/zinc/12/92/09/527129209.db2.gz OEDRHMJRKKJWPD-UHFFFAOYSA-N 0 0 310.419 2.152 10 30 DEEERN C=CCCCCNC(=O)C(=O)NCCc1cc(F)ccc1F ZINC000347564876 527140359 /nfs/dbraw/zinc/14/03/59/527140359.db2.gz RHTPXRKLZZIZME-UHFFFAOYSA-N 0 0 310.344 2.096 10 30 DEEERN C#CCSCCNc1ncnc2c(OC)cc(OC)cc12 ZINC000302861049 527151792 /nfs/dbraw/zinc/15/17/92/527151792.db2.gz PJKJHBUULYGGQN-UHFFFAOYSA-N 0 0 303.387 2.425 10 30 DEEERN C=CC[C@H](CC)NC(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC000417490393 527159660 /nfs/dbraw/zinc/15/96/60/527159660.db2.gz REPJYOYEEQRVLI-NHYWBVRUSA-N 0 0 303.362 2.388 10 30 DEEERN C#CC[C@@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000371312902 527163969 /nfs/dbraw/zinc/16/39/69/527163969.db2.gz FGAKFXOSAYTXNC-ZWKOTPCHSA-N 0 0 322.412 2.133 10 30 DEEERN C=CCCCCNS(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000416464183 527169328 /nfs/dbraw/zinc/16/93/28/527169328.db2.gz GNQLTGNEIWMHCD-UHFFFAOYSA-N 0 0 307.366 2.301 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCOCC(F)F ZINC000287336785 527172327 /nfs/dbraw/zinc/17/23/27/527172327.db2.gz VSPOUBWSGYFWRK-CQSZACIVSA-N 0 0 310.344 2.202 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@@H](CO)C1 ZINC000298134799 527173537 /nfs/dbraw/zinc/17/35/37/527173537.db2.gz BTWMVNFARNTOFR-KZNAEPCWSA-N 0 0 314.429 2.471 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCCC[C@H](CCOC)C1 ZINC000410994991 527174494 /nfs/dbraw/zinc/17/44/94/527174494.db2.gz FVUAPLHRYSSSQM-OAHLLOKOSA-N 0 0 310.438 2.076 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](C)c1cccc(OC)c1 ZINC000284310664 527177199 /nfs/dbraw/zinc/17/71/99/527177199.db2.gz YNFOGSUBWGYUFJ-ZDUSSCGKSA-N 0 0 304.390 2.297 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000339704108 527178482 /nfs/dbraw/zinc/17/84/82/527178482.db2.gz XASBYNKPUYDAPC-MRXNPFEDSA-N 0 0 300.402 2.085 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc2c1OCCC2=O ZINC000371641210 527180318 /nfs/dbraw/zinc/18/03/18/527180318.db2.gz DMGNLVDZRCZZNH-UHFFFAOYSA-N 0 0 316.357 2.015 10 30 DEEERN C=CCCCN(C)C(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000338525262 527190198 /nfs/dbraw/zinc/19/01/98/527190198.db2.gz JYTZOWJFHJVHSU-UHFFFAOYSA-N 0 0 305.378 2.470 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@@H](C)Cc1ccc(OC)cc1 ZINC000183802310 527196157 /nfs/dbraw/zinc/19/61/57/527196157.db2.gz AGZFFPKYOYWWCI-DZGCQCFKSA-N 0 0 306.406 2.110 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000448373938 527209210 /nfs/dbraw/zinc/20/92/10/527209210.db2.gz IQWANOJZKDDLFT-UHFFFAOYSA-N 0 0 323.780 2.319 10 30 DEEERN C=CCCCNC(=O)C(=O)Nc1ccc(-c2csnn2)cc1 ZINC000448378283 527209546 /nfs/dbraw/zinc/20/95/46/527209546.db2.gz VFCSKLFVCDTFSH-UHFFFAOYSA-N 0 0 316.386 2.226 10 30 DEEERN C=CCCCNC(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000447996096 527221164 /nfs/dbraw/zinc/22/11/64/527221164.db2.gz CLXXTIZJFQSGBR-CYBMUJFWSA-N 0 0 314.389 2.050 10 30 DEEERN C=CCn1c(C)nnc1N(CCOC)Cc1scnc1C ZINC000350730126 527298789 /nfs/dbraw/zinc/29/87/89/527298789.db2.gz PPYYGWTWROXGPW-UHFFFAOYSA-N 0 0 307.423 2.190 10 30 DEEERN C=CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC000282290149 527310483 /nfs/dbraw/zinc/31/04/83/527310483.db2.gz NSRDBTIVFUMVCC-ZDUSSCGKSA-N 0 0 320.437 2.442 10 30 DEEERN C=CCCN(C)C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000441770235 527313913 /nfs/dbraw/zinc/31/39/13/527313913.db2.gz ZSPRBOKLHFCQNW-UHFFFAOYSA-N 0 0 314.393 2.373 10 30 DEEERN C=CCn1c(CCc2ccco2)nnc1N(C)C[C@H]1CCCO1 ZINC000337854527 527320147 /nfs/dbraw/zinc/32/01/47/527320147.db2.gz KRTDWSYYHPPIBT-OAHLLOKOSA-N 0 0 316.405 2.458 10 30 DEEERN C=CCn1c(N2CCC(C(=O)N(C)C)CC2)nnc1C(C)(C)C ZINC000282177557 527329750 /nfs/dbraw/zinc/32/97/50/527329750.db2.gz FDRSUCJKKMKNNZ-UHFFFAOYSA-N 0 0 319.453 2.066 10 30 DEEERN CC(=O)c1ccc(S(=O)(=O)N(C[C@@H](C)C#N)C2CC2)cc1 ZINC000338313576 527331709 /nfs/dbraw/zinc/33/17/09/527331709.db2.gz HJCVKAFMNKLOEL-NSHDSACASA-N 0 0 306.387 2.202 10 30 DEEERN C=CCn1cc(CNC(=O)CC2CC(OC(C)(C)C)C2)nn1 ZINC000424907455 527363472 /nfs/dbraw/zinc/36/34/72/527363472.db2.gz JMQDULFQOYRDSB-UHFFFAOYSA-N 0 0 306.410 2.064 10 30 DEEERN CC(C)(C#N)c1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000373574898 527488975 /nfs/dbraw/zinc/48/89/75/527488975.db2.gz FPLYUBMVOKCTLG-KRWDZBQOSA-N 0 0 322.412 2.300 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](CO)C1CCCCC1 ZINC000425877387 527496215 /nfs/dbraw/zinc/49/62/15/527496215.db2.gz PCXXUOLJKXJROC-XHSDSOJGSA-N 0 0 310.438 2.066 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N[C@H](C(=O)OCc1ccccc1)[C@H](C)O ZINC000293961191 527523585 /nfs/dbraw/zinc/52/35/85/527523585.db2.gz IKGPVVVEOPORKS-YEWWUXTCSA-N 0 0 319.401 2.198 10 30 DEEERN C=CCN(C(=O)C(=O)N1CCc2cc(F)c(F)cc21)C1CC1 ZINC000442393379 527530044 /nfs/dbraw/zinc/53/00/44/527530044.db2.gz IGMKAXQCHHXBNW-UHFFFAOYSA-N 0 0 306.312 2.031 10 30 DEEERN C=CCN(C(=O)C1=CCOCC1)c1nc(C(=O)OCC)cs1 ZINC000341491660 527533162 /nfs/dbraw/zinc/53/31/62/527533162.db2.gz ZQUPIWQWKVWRLF-UHFFFAOYSA-N 0 0 322.386 2.186 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000188497003 527533282 /nfs/dbraw/zinc/53/32/82/527533282.db2.gz KMDVHBNUNUUKDH-WBMJQRKESA-N 0 0 306.410 2.020 10 30 DEEERN C=CCN(C)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000190088826 527562092 /nfs/dbraw/zinc/56/20/92/527562092.db2.gz LPKRSWNUSATLAO-UHFFFAOYSA-N 0 0 301.390 2.119 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1CCN(c2ccccc2)C[C@@H]1CC ZINC000355804025 527628696 /nfs/dbraw/zinc/62/86/96/527628696.db2.gz BIRYUTVXYMRZKW-YJBOKZPZSA-N 0 0 302.418 2.441 10 30 DEEERN C=CCN(CCC#N)C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000292517848 527657296 /nfs/dbraw/zinc/65/72/96/527657296.db2.gz UCFWRWKJACRWJT-UHFFFAOYSA-N 0 0 300.284 2.377 10 30 DEEERN CCCCCCCS(=O)(=O)N1CCC(n2cncn2)CC1 ZINC000195197612 528135964 /nfs/dbraw/zinc/13/59/64/528135964.db2.gz CAPGPVSZDGAALT-UHFFFAOYSA-N 0 0 314.455 2.215 10 30 DEEERN CC(C)Oc1ccc(NC(=O)COc2ccccc2C#N)nn1 ZINC000191317646 528183154 /nfs/dbraw/zinc/18/31/54/528183154.db2.gz FZFDTXIKWHRMMP-UHFFFAOYSA-N 0 0 312.329 2.153 10 30 DEEERN CC(C)Oc1ccccc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000377676139 528246258 /nfs/dbraw/zinc/24/62/58/528246258.db2.gz PVOYRCZSWDJRPO-HNNXBMFYSA-N 0 0 313.401 2.286 10 30 DEEERN CCCC[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)OC ZINC000189123067 528836584 /nfs/dbraw/zinc/83/65/84/528836584.db2.gz BDGVZFBKMHUGNN-OAHLLOKOSA-N 0 0 314.385 2.438 10 30 DEEERN CC(C)NC(=O)NC1(C(=O)N[C@@H]2CCC[C@@H]2C#N)CCCCC1 ZINC000408288761 529136649 /nfs/dbraw/zinc/13/66/49/529136649.db2.gz ZZXQITPIGBSJAP-ZIAGYGMSSA-N 0 0 320.437 2.205 10 30 DEEERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2C#N)n1 ZINC000191659657 529154426 /nfs/dbraw/zinc/15/44/26/529154426.db2.gz DVVHUJTVLNLTNT-UHFFFAOYSA-N 0 0 303.253 2.074 10 30 DEEERN CCCc1nc(CS(=O)(=O)Cc2ccc(C#N)c(F)c2)no1 ZINC000190916491 535533206 /nfs/dbraw/zinc/53/32/06/535533206.db2.gz FMIJSWYQSFTQMN-UHFFFAOYSA-N 0 0 323.349 2.148 10 30 DEEERN CCN(C(=O)[C@@H](Oc1ccccc1C#N)C(C)C)[C@@H](C)CO ZINC000358764709 535686922 /nfs/dbraw/zinc/68/69/22/535686922.db2.gz CJXYABICLWTGQH-BBRMVZONSA-N 0 0 304.390 2.191 10 30 DEEERN C#CCOc1ccc(/C=C2\N=C(c3cccnc3)OC2=O)cc1 ZINC000255612666 625474085 /nfs/dbraw/zinc/47/40/85/625474085.db2.gz KXLXBKGWXFEOAB-WJDWOHSUSA-N 0 0 304.305 2.438 10 30 DEEERN CC[C@@]1(O)CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000329719169 625529649 /nfs/dbraw/zinc/52/96/49/625529649.db2.gz ZZDQNXNJIKZDMF-AXAPSJFSSA-N 0 0 311.426 2.281 10 30 DEEERN CCOC(=O)N1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000176979013 625592030 /nfs/dbraw/zinc/59/20/30/625592030.db2.gz UCWLWLBUAPAYNF-UHFFFAOYSA-N 0 0 306.793 2.466 10 30 DEEERN COc1ccc([C@H](CC(=O)O[C@H](C#N)C2CC2)NC(C)=O)cc1 ZINC000177008008 625598260 /nfs/dbraw/zinc/59/82/60/625598260.db2.gz VCLMPZFFCOGWDA-JKSUJKDBSA-N 0 0 316.357 2.108 10 30 DEEERN C#CC[C@H](Cc1ccccc1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000804807106 623250803 /nfs/dbraw/zinc/25/08/03/623250803.db2.gz BDPUIANRWCVNCE-CYBMUJFWSA-N 0 0 324.340 2.135 10 30 DEEERN C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCOC[C@@H]1C ZINC000289308960 623605784 /nfs/dbraw/zinc/60/57/84/623605784.db2.gz AKZOFDIGWQBADN-NSHDSACASA-N 0 0 319.796 2.405 10 30 DEEERN Cn1cc(C#N)cc1C(=O)N=c1ccccn1Cc1ccccc1 ZINC000255382147 624525386 /nfs/dbraw/zinc/52/53/86/624525386.db2.gz GUJFRQQMMJWBFS-UHFFFAOYSA-N 0 0 316.364 2.488 10 30 DEEERN N#C[C@@H](OC(=O)c1ccnc(OCC(F)(F)F)c1)C1CC1 ZINC000177030688 625086679 /nfs/dbraw/zinc/08/66/79/625086679.db2.gz LDQNNNWNYQJXHI-SNVBAGLBSA-N 0 0 300.236 2.482 10 30 DEEERN Cn1c(CNc2ccc(F)cc2OCC#N)nnc1C1CC1 ZINC000178038816 625122219 /nfs/dbraw/zinc/12/22/19/625122219.db2.gz WIVRQYJIQFNPPU-UHFFFAOYSA-N 0 0 301.325 2.346 10 30 DEEERN C#CCN(C(=O)[C@@H]1CSCN1C(=O)CCCC)C1CCCC1 ZINC000155639120 625140638 /nfs/dbraw/zinc/14/06/38/625140638.db2.gz FZPQNTIUNPNSJZ-HNNXBMFYSA-N 0 0 322.474 2.483 10 30 DEEERN CC(C)(CCC#N)COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000195086532 625772975 /nfs/dbraw/zinc/77/29/75/625772975.db2.gz LKSVOIVOLBAJHD-CHWSQXEVSA-N 0 0 320.389 2.035 10 30 DEEERN CCOC(=O)[C@H](C)OC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000733460190 633196707 /nfs/dbraw/zinc/19/67/07/633196707.db2.gz JRAMJRIFQVGSOV-WFASDCNBSA-N 0 0 319.357 2.456 10 30 DEEERN C#CCCNC(=O)Nc1cc(C(=O)OC)ccc1N1CCCC1 ZINC000733619006 633241855 /nfs/dbraw/zinc/24/18/55/633241855.db2.gz HFCCBIWCMKVCIW-UHFFFAOYSA-N 0 0 315.373 2.218 10 30 DEEERN C#Cc1ccc(C(=O)N(C[C@@H]2CCCO2)c2ccncc2)cn1 ZINC000733970123 633306250 /nfs/dbraw/zinc/30/62/50/633306250.db2.gz JYLVIKMJORPERN-KRWDZBQOSA-N 0 0 307.353 2.284 10 30 DEEERN C=C(COC(=O)c1cnn(-c2ccccc2)c1C)C(=O)OCC ZINC000734026903 633312965 /nfs/dbraw/zinc/31/29/65/633312965.db2.gz DMWHWHQRIBNWGA-UHFFFAOYSA-N 0 0 314.341 2.457 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)NCC[S@](=O)CC ZINC000735112076 633472680 /nfs/dbraw/zinc/47/26/80/633472680.db2.gz TYQNBQDUMLBNHS-OAQYLSRUSA-N 0 0 308.447 2.195 10 30 DEEERN CC(C)[C@H]1C(=O)NCCN1Cc1cc(Cl)ccc1OCC#N ZINC000735309775 633500839 /nfs/dbraw/zinc/50/08/39/633500839.db2.gz UCBKMXCBKPMHLY-HNNXBMFYSA-N 0 0 321.808 2.199 10 30 DEEERN COc1ccc(-c2nc(COC(=O)C3(C#N)CCC3)no2)cc1 ZINC000736012516 633562150 /nfs/dbraw/zinc/56/21/50/633562150.db2.gz CDOSKBSMQDOVMS-UHFFFAOYSA-N 0 0 313.313 2.482 10 30 DEEERN C=C(Cl)CNC(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000736399952 633617748 /nfs/dbraw/zinc/61/77/48/633617748.db2.gz GDBQXHTZXMNXJI-UHFFFAOYSA-N 0 0 323.824 2.071 10 30 DEEERN N#Cc1cccc(S(=O)(=O)Oc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000102661530 650149947 /nfs/dbraw/zinc/14/99/47/650149947.db2.gz MYDAZMPJGCIVRK-UHFFFAOYSA-N 0 0 322.273 2.373 10 30 DEEERN C#Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)c1 ZINC000198986588 636517786 /nfs/dbraw/zinc/51/77/86/636517786.db2.gz LKGCEOCFKIWWQV-QGZVFWFLSA-N 0 0 317.352 2.077 10 30 DEEERN C#CCCCNC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000186937534 636628201 /nfs/dbraw/zinc/62/82/01/636628201.db2.gz NNAWCYOCIBPADP-KGLIPLIRSA-N 0 0 323.437 2.487 10 30 DEEERN C=C(COC(=O)c1cc(=O)[nH]c2ccc(F)cc21)C(=O)OCC ZINC000738816297 637524762 /nfs/dbraw/zinc/52/47/62/637524762.db2.gz ZJIKJMSIHBAGEL-UHFFFAOYSA-N 0 0 319.288 2.356 10 30 DEEERN C=CCc1cc(CNC(=O)c2nccn2C)cc(OC)c1OC ZINC000741264708 637958160 /nfs/dbraw/zinc/95/81/60/637958160.db2.gz VGQCVVDJQYZYKI-UHFFFAOYSA-N 0 0 315.373 2.096 10 30 DEEERN C=C(C)CCOC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000744304626 638208233 /nfs/dbraw/zinc/20/82/33/638208233.db2.gz UBGCCSIIBYDUCD-NSHDSACASA-N 0 0 322.317 2.302 10 30 DEEERN C#CCSCCNC(=O)NCc1nc2cc(C)ccc2[nH]1 ZINC000745834447 638293437 /nfs/dbraw/zinc/29/34/37/638293437.db2.gz JQVPARSYPMFKMA-UHFFFAOYSA-N 0 0 302.403 2.037 10 30 DEEERN CCNC(=O)c1ccc(NCc2ccc(OC)c(C#N)c2)nc1 ZINC000746709614 638372002 /nfs/dbraw/zinc/37/20/02/638372002.db2.gz BQMKETPUWLPVFB-UHFFFAOYSA-N 0 0 310.357 2.324 10 30 DEEERN COc1ccc(CNc2cc(-n3ccnc3)ncn2)cc1C#N ZINC000746711873 638372890 /nfs/dbraw/zinc/37/28/90/638372890.db2.gz XSSJYBGKMVGULK-UHFFFAOYSA-N 0 0 306.329 2.155 10 30 DEEERN COc1ccc(CNC(=O)COc2ccccc2F)cc1C#N ZINC000746857233 638381148 /nfs/dbraw/zinc/38/11/48/638381148.db2.gz FEYAQCMJNGQQSE-UHFFFAOYSA-N 0 0 314.316 2.401 10 30 DEEERN COc1ccc(CNC(=O)[C@@H]2Cc3ccccc3O2)cc1C#N ZINC000746937970 638388204 /nfs/dbraw/zinc/38/82/04/638388204.db2.gz GWYASJWYNXXRFK-KRWDZBQOSA-N 0 0 308.337 2.187 10 30 DEEERN CC(=O)N[C@@H](C(=O)OCC#Cc1ccccc1Cl)C(C)C ZINC000746960161 638392309 /nfs/dbraw/zinc/39/23/09/638392309.db2.gz QLRHYVSITYOCQU-OAHLLOKOSA-N 0 0 307.777 2.395 10 30 DEEERN COc1ccc(CNC(=O)c2c[nH]c3ncccc23)cc1C#N ZINC000747445818 638438903 /nfs/dbraw/zinc/43/89/03/638438903.db2.gz YNMUXHNHMUJPJN-UHFFFAOYSA-N 0 0 306.325 2.373 10 30 DEEERN C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCc3ccccc3C2)c1 ZINC000750379325 638738084 /nfs/dbraw/zinc/73/80/84/638738084.db2.gz WBXDZZBYIDHZTE-GOSISDBHSA-N 0 0 318.376 2.280 10 30 DEEERN CCCN(CCC)C(=O)COC(=O)Cc1cccc(C#N)c1 ZINC000750430551 638743662 /nfs/dbraw/zinc/74/36/62/638743662.db2.gz OPOFWNSQJRUYFX-UHFFFAOYSA-N 0 0 302.374 2.293 10 30 DEEERN CCC[C@H](C)NC(=O)[C@H](C)OC(=O)Cc1cccc(C#N)c1 ZINC000750432425 638745163 /nfs/dbraw/zinc/74/51/63/638745163.db2.gz FASLOMSNCMMEDJ-STQMWFEESA-N 0 0 302.374 2.337 10 30 DEEERN CC(=O)c1ccccc1OCCOC(=O)c1cc(C#N)cn1C ZINC000751728631 639112304 /nfs/dbraw/zinc/11/23/04/639112304.db2.gz GOZVKEQOVYAEGB-UHFFFAOYSA-N 0 0 312.325 2.335 10 30 DEEERN C=C(Cl)COC(=O)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000728378330 639151400 /nfs/dbraw/zinc/15/14/00/639151400.db2.gz TWSUTKKRIGOLRB-UHFFFAOYSA-N 0 0 302.779 2.318 10 30 DEEERN C#CCSCCNC(=O)c1ccnc(N2CC[C@H](C)C2)c1 ZINC000752416178 639182805 /nfs/dbraw/zinc/18/28/05/639182805.db2.gz GIPAABJJUAWKAE-ZDUSSCGKSA-N 0 0 303.431 2.024 10 30 DEEERN CN(CC1CC1)C(=O)COC(=O)CSc1ccc(C#N)cc1 ZINC000728676320 639283284 /nfs/dbraw/zinc/28/32/84/639283284.db2.gz NLEGHRJIMUQGBP-UHFFFAOYSA-N 0 0 318.398 2.062 10 30 DEEERN C#Cc1ccc(C(=O)N(C)Cc2cc(OC)cc(OC)c2)cn1 ZINC000728811439 639430235 /nfs/dbraw/zinc/43/02/35/639430235.db2.gz YFMFSWMIOVYHNQ-UHFFFAOYSA-N 0 0 310.353 2.352 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1ccc(OC)c(F)c1C)C(C)(C)C ZINC000805146262 639839766 /nfs/dbraw/zinc/83/97/66/639839766.db2.gz AHBDKSRTMHPICX-ZDUSSCGKSA-N 0 0 313.394 2.469 10 30 DEEERN C#CCOc1ccc(NC(=O)CO[C@@H](C)c2nccn2C)cc1 ZINC000805182109 640071367 /nfs/dbraw/zinc/07/13/67/640071367.db2.gz VANWGOOTHOMPEJ-ZDUSSCGKSA-N 0 0 313.357 2.148 10 30 DEEERN C=C[C@H](C)NC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805196071 640155810 /nfs/dbraw/zinc/15/58/10/640155810.db2.gz LIIDBPQRQCEEMJ-NAKRPEOUSA-N 0 0 321.343 2.048 10 30 DEEERN COc1ccc(CNC(=O)NC[C@@H]2CCOC[C@H]2C)cc1C#N ZINC000805224273 640306125 /nfs/dbraw/zinc/30/61/25/640306125.db2.gz UBRAEJBJESQGAE-OCCSQVGLSA-N 0 0 317.389 2.039 10 30 DEEERN C#CCN1CCC[C@@H]1COC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000729812430 640842477 /nfs/dbraw/zinc/84/24/77/640842477.db2.gz VJJBZULEPBSGRG-CQSZACIVSA-N 0 0 302.330 2.158 10 30 DEEERN CCN1CC[C@H](/N=C/c2cc(Br)ccc2O)C1=O ZINC000801646641 641586743 /nfs/dbraw/zinc/58/67/43/641586743.db2.gz UUHMWIGAGBLBGO-UXYFDLPDSA-N 0 0 311.179 2.194 10 30 DEEERN C[C@H](NC(=O)[C@@H]1CCCC12OCCO2)c1ccc(C#N)cc1 ZINC000806424660 641737580 /nfs/dbraw/zinc/73/75/80/641737580.db2.gz SKDCLZRKRWLEKT-WFASDCNBSA-N 0 0 300.358 2.279 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](O)c1cc(C)cc(C)c1 ZINC000801536566 645410988 /nfs/dbraw/zinc/41/09/88/645410988.db2.gz JKAHRMCVPWFISI-IXDOHACOSA-N 0 0 303.402 2.434 10 30 DEEERN C#CCOc1ccc(NC(=O)N2CCO[C@@H](C(F)F)C2)cc1 ZINC000801627056 645425086 /nfs/dbraw/zinc/42/50/86/645425086.db2.gz BUKKYFACKNXLTF-CYBMUJFWSA-N 0 0 310.300 2.196 10 30 DEEERN C#CCOc1cccc(COC(=O)COCc2cc(C)no2)c1 ZINC000802075032 645477821 /nfs/dbraw/zinc/47/78/21/645477821.db2.gz GXDHVPSWORDLKC-UHFFFAOYSA-N 0 0 315.325 2.255 10 30 DEEERN CCN1CC[C@@H](NC(=S)Nc2ccc(C#N)c(Cl)c2)C1=O ZINC000802718693 645547398 /nfs/dbraw/zinc/54/73/98/645547398.db2.gz GNQQWXHSPGZMNA-GFCCVEGCSA-N 0 0 322.821 2.119 10 30 DEEERN C=C(C)CCOC(=O)CCc1nc2ccccc2c(=O)n1C ZINC000803243054 645622500 /nfs/dbraw/zinc/62/25/00/645622500.db2.gz KEEKYBPSBWVVFD-UHFFFAOYSA-N 0 0 300.358 2.376 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000803698214 645681045 /nfs/dbraw/zinc/68/10/45/645681045.db2.gz IQZQLQBSRKHPGK-HNNXBMFYSA-N 0 0 311.381 2.206 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)Nc1cc(F)cc(F)c1 ZINC000803697620 645681209 /nfs/dbraw/zinc/68/12/09/645681209.db2.gz LVWSQHSLHZNUHN-UHFFFAOYSA-N 0 0 305.280 2.109 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000803699029 645681861 /nfs/dbraw/zinc/68/18/61/645681861.db2.gz NKGOJLXWMQCWLJ-GFCCVEGCSA-N 0 0 301.317 2.359 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@H](C)C(=O)N1CCc2ccccc21 ZINC000803701342 645682611 /nfs/dbraw/zinc/68/26/11/645682611.db2.gz PZKDHFMXZKQYEF-CQSZACIVSA-N 0 0 309.365 2.170 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000803700425 645682681 /nfs/dbraw/zinc/68/26/81/645682681.db2.gz PCGDUVMDDQWZIS-HNNXBMFYSA-N 0 0 323.392 2.166 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1nnc2ccccn21 ZINC000806260391 645811636 /nfs/dbraw/zinc/81/16/36/645811636.db2.gz LNKCPSJPMITOLC-OAHLLOKOSA-N 0 0 319.368 2.485 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@]1(C)CCO[C@H]1C ZINC000807466241 645953048 /nfs/dbraw/zinc/95/30/48/645953048.db2.gz QGDAYTIBEPGAGL-YXJHDRRASA-N 0 0 300.402 2.488 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CC1(O)CCC1 ZINC000807470171 645954110 /nfs/dbraw/zinc/95/41/10/645954110.db2.gz OZSNHYMJCFQOQH-MRXNPFEDSA-N 0 0 300.402 2.177 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@](C)(O)C(C)C ZINC000807466957 645954686 /nfs/dbraw/zinc/95/46/86/645954686.db2.gz HVQBZOPPXJIIIF-FUHWJXTLSA-N 0 0 302.418 2.327 10 30 DEEERN N#C[C@H](COC(=O)C[C@H]1COC(=O)C1)Cc1ccc(F)cc1 ZINC000151960332 647060957 /nfs/dbraw/zinc/06/09/57/647060957.db2.gz RQXMIILSPHWWDS-QWHCGFSZSA-N 0 0 305.305 2.004 10 30 DEEERN C#C[C@H](OC(=O)[C@H]1CSCN1C(=O)/C(C)=C\CC)C1CC1 ZINC000152498137 647178366 /nfs/dbraw/zinc/17/83/66/647178366.db2.gz CHCFSCSWZDNVOY-FGHOCRGKSA-N 0 0 307.415 2.199 10 30 DEEERN C#CCOc1ccc([C@H](C)OC(=O)CCN2CCCC2=O)cc1 ZINC000730430709 647192941 /nfs/dbraw/zinc/19/29/41/647192941.db2.gz SMYXOMWOLUFGOZ-AWEZNQCLSA-N 0 0 315.369 2.315 10 30 DEEERN C=C(C)CCOC(=O)c1cccc(S(=O)(=O)NC(C)C)c1 ZINC000174800175 647431811 /nfs/dbraw/zinc/43/18/11/647431811.db2.gz ZQRZOBXVGAGFJK-UHFFFAOYSA-N 0 0 311.403 2.496 10 30 DEEERN C#CCOc1ccc(NC(=O)[C@H](C)NC(=O)c2ccccc2)cc1 ZINC000731012072 647439791 /nfs/dbraw/zinc/43/97/91/647439791.db2.gz DIBKZKDXRSECIX-AWEZNQCLSA-N 0 0 322.364 2.456 10 30 DEEERN N#CCCCCOC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000731736117 647504425 /nfs/dbraw/zinc/50/44/25/647504425.db2.gz CFRFEAPWWDHNDR-UHFFFAOYSA-N 0 0 316.357 2.429 10 30 DEEERN C[C@H](NC(=S)N1CCN(C2CC2)[C@H](C#N)C1)c1cccs1 ZINC000732625633 647632963 /nfs/dbraw/zinc/63/29/63/647632963.db2.gz LISOCJRTYHLOEZ-WCQYABFASA-N 0 0 320.487 2.356 10 30 DEEERN C/C(=C/C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1cccc(F)c1 ZINC000732648440 647635808 /nfs/dbraw/zinc/63/58/08/647635808.db2.gz UTMLLUZWMAPRGN-GQPJMJRUSA-N 0 0 313.376 2.428 10 30 DEEERN N#C[C@H]1CN(C(=O)N[C@@H]2CCCc3occc32)CCN1C1CC1 ZINC000732677239 647640816 /nfs/dbraw/zinc/64/08/16/647640816.db2.gz URLPYABSQFDAAW-DZGCQCFKSA-N 0 0 314.389 2.039 10 30 DEEERN C#CCOc1ccccc1[C@H](C)OC(=O)C[C@H]1COC(=O)C1 ZINC000153757425 647648864 /nfs/dbraw/zinc/64/88/64/647648864.db2.gz VGYTYUQLAKDPPX-STQMWFEESA-N 0 0 302.326 2.256 10 30 DEEERN N#C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000161787476 647969110 /nfs/dbraw/zinc/96/91/10/647969110.db2.gz FRAPPTMBROFPDU-LLVKDONJSA-N 0 0 324.134 2.389 10 30 DEEERN CC(C)(C)[C@@H](C#N)OC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000154341568 647985348 /nfs/dbraw/zinc/98/53/48/647985348.db2.gz MCLXDHBIDTXDCB-SNVBAGLBSA-N 0 0 301.389 2.247 10 30 DEEERN C=CCC[C@H](C)OC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000180162403 648469488 /nfs/dbraw/zinc/46/94/88/648469488.db2.gz CHOBEFYNTOQIKM-LBPRGKRZSA-N 0 0 308.378 2.139 10 30 DEEERN N#C[C@@H](COC(=O)CCn1cccn1)Cc1ccc(F)cc1 ZINC000068491417 648470141 /nfs/dbraw/zinc/47/01/41/648470141.db2.gz NWGNTXWHUPTOFC-AWEZNQCLSA-N 0 0 301.321 2.338 10 30 DEEERN C=C[C@H](CC)OC(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000181241254 648590641 /nfs/dbraw/zinc/59/06/41/648590641.db2.gz MVSPOPKGHRWPCX-CQSZACIVSA-N 0 0 309.387 2.348 10 30 DEEERN C#CCN(CC#C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000076185582 649116978 /nfs/dbraw/zinc/11/69/78/649116978.db2.gz UTKGGQVTYUEUCX-ZDUSSCGKSA-N 0 0 312.196 2.302 10 30 DEEERN C#CC[C@@H](OC(=O)c1ccnc(O[C@H]2CCOC2)c1)C1CC1 ZINC000183655624 649130198 /nfs/dbraw/zinc/13/01/98/649130198.db2.gz RHWYJSDLHOOVFK-LSDHHAIUSA-N 0 0 301.342 2.208 10 30 DEEERN C=CCS(=O)(=O)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000071552890 649133863 /nfs/dbraw/zinc/13/38/63/649133863.db2.gz GJAPDZLIBQFISO-AWEZNQCLSA-N 0 0 309.431 2.413 10 30 DEEERN N#CC1(COC(=O)CCSc2ccccn2)CCOCC1 ZINC000183928625 649203101 /nfs/dbraw/zinc/20/31/01/649203101.db2.gz YZQWQBCFVLCRQY-UHFFFAOYSA-N 0 0 306.387 2.427 10 30 DEEERN C#CCCNC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000733287831 649537516 /nfs/dbraw/zinc/53/75/16/649537516.db2.gz RJMZWMSKGPUJKC-UHFFFAOYSA-N 0 0 320.805 2.152 10 30 DEEERN C#CCOc1cccc(COC(=O)CCOC[C@@H]2CCCO2)c1 ZINC000107022197 651408296 /nfs/dbraw/zinc/40/82/96/651408296.db2.gz SCGAYBLVKBZQMX-KRWDZBQOSA-N 0 0 318.369 2.328 10 30 DEEERN N#C[C@H](NC(=O)c1cc(Cl)nc(N2CCCC2)c1)C1CC1 ZINC000112637720 651556349 /nfs/dbraw/zinc/55/63/49/651556349.db2.gz PPWUFFMKYXMHLA-LBPRGKRZSA-N 0 0 304.781 2.367 10 30 DEEERN COCc1csc(NC(=O)c2ccccc2OCC#N)n1 ZINC000115244592 652129056 /nfs/dbraw/zinc/12/90/56/652129056.db2.gz AMGARTPCGOVZHC-UHFFFAOYSA-N 0 0 303.343 2.444 10 30 DEEERN N#Cc1cccnc1N1CCN(C(=O)/C=C/c2cccs2)CC1 ZINC000034884358 683879256 /nfs/dbraw/zinc/87/92/56/683879256.db2.gz GDCBIIHUHBPGES-AATRIKPKSA-N 0 0 324.409 2.377 10 30 DEEERN N#CC(C(=O)CN1C(=O)CSc2ccccc21)c1ccccn1 ZINC000041493267 683890468 /nfs/dbraw/zinc/89/04/68/683890468.db2.gz QHNZOTXYKIMNGN-GFCCVEGCSA-N 0 0 323.377 2.397 10 30 DEEERN C[C@@H]1COCCN1c1ccc(NC(=O)c2cc(C#N)cn2C)cc1 ZINC000081547744 683992033 /nfs/dbraw/zinc/99/20/33/683992033.db2.gz ULNRHAWHHYESSL-CYBMUJFWSA-N 0 0 324.384 2.374 10 30 DEEERN C=CCC[C@@H](C)OC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000089312024 684021926 /nfs/dbraw/zinc/02/19/26/684021926.db2.gz HHFZDHMQXACCQA-NEPJUHHUSA-N 0 0 308.378 2.137 10 30 DEEERN C=CCC[C@@H](C)OC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000089319631 684021927 /nfs/dbraw/zinc/02/19/27/684021927.db2.gz PAGSPYZQQGUDLJ-CYBMUJFWSA-N 0 0 311.403 2.205 10 30 DEEERN C=CCNC(=O)[C@H](C#N)C(=O)CCCc1ccc(F)c(F)c1 ZINC000120038217 684091176 /nfs/dbraw/zinc/09/11/76/684091176.db2.gz MXQFYFYEYHWWKM-GFCCVEGCSA-N 0 0 306.312 2.299 10 30 DEEERN C[C@H](C#N)NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000128759078 684173158 /nfs/dbraw/zinc/17/31/58/684173158.db2.gz YQTZPTBKNJZRMQ-GFCCVEGCSA-N 0 0 309.410 2.442 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnsn1 ZINC000130185303 684186413 /nfs/dbraw/zinc/18/64/13/684186413.db2.gz AEUJGXZEGWXJPM-UHFFFAOYSA-N 0 0 304.331 2.275 10 30 DEEERN C=CCN(CC(=O)OCC)CC(=O)c1cc(C)n(CC)c1C ZINC000131200832 684197562 /nfs/dbraw/zinc/19/75/62/684197562.db2.gz FWVARHRKNMYEQW-UHFFFAOYSA-N 0 0 306.406 2.359 10 30 DEEERN C[C@@H](OC(=O)CCS(=O)(=O)C1CCCC1)C(C)(C)C#N ZINC000131529957 684199929 /nfs/dbraw/zinc/19/99/29/684199929.db2.gz XBSGRKHEVPWBOQ-LLVKDONJSA-N 0 0 301.408 2.215 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)[C@H]1CSCN1C(C)=O ZINC000132798005 684213409 /nfs/dbraw/zinc/21/34/09/684213409.db2.gz NDPOSYQWTRZWET-OAHLLOKOSA-N 0 0 322.405 2.262 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)[C@@H]1CSCN1C(C)=O ZINC000132899675 684214720 /nfs/dbraw/zinc/21/47/20/684214720.db2.gz FAPJRGXTBIWAHH-INIZCTEOSA-N 0 0 318.442 2.165 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(Br)nc1 ZINC000134210857 684226555 /nfs/dbraw/zinc/22/65/55/684226555.db2.gz PPMKGUUPPODHCF-UHFFFAOYSA-N 0 0 305.135 2.307 10 30 DEEERN CCCC[C@@H](NC(=O)NCC)C(=O)[C@H](C#N)c1ccccn1 ZINC000155961903 684282675 /nfs/dbraw/zinc/28/26/75/684282675.db2.gz XXUONADPVSWUHG-TZMCWYRMSA-N 0 0 302.378 2.136 10 30 DEEERN C=C(Cn1nc(-c2ccccc2F)ccc1=O)C(=O)OCC ZINC000187686109 684342098 /nfs/dbraw/zinc/34/20/98/684342098.db2.gz YNZGSFNQXVDFJL-UHFFFAOYSA-N 0 0 302.305 2.169 10 30 DEEERN COc1cnccc1[C@@H](C)NC(=O)c1ccccc1OCC#N ZINC000189647600 684386081 /nfs/dbraw/zinc/38/60/81/684386081.db2.gz CTDGFODJXDJTNA-GFCCVEGCSA-N 0 0 311.341 2.484 10 30 DEEERN C#C[C@@H](OC(=O)c1ccc(OC)cc1OCCOC)C1CC1 ZINC000190830967 684415016 /nfs/dbraw/zinc/41/50/16/684415016.db2.gz YWOKEVPLIKLLJI-OAHLLOKOSA-N 0 0 304.342 2.289 10 30 DEEERN N#C[C@H](C(=O)NC1CC1)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246005092 685121359 /nfs/dbraw/zinc/12/13/59/685121359.db2.gz FRSQDCAJDKXJKJ-TUAOUCFPSA-N 0 0 304.296 2.056 10 30 DEEERN CC(=O)N1CCO[C@H]2CCN(c3ccc(Cl)cc3C#N)C[C@H]21 ZINC000886034136 691989091 /nfs/dbraw/zinc/98/90/91/691989091.db2.gz UMAIDTABHINZPS-CVEARBPZSA-N 0 0 319.792 2.038 10 30 DEEERN Cc1ccc(C#N)c(NC[C@@H]2CC(=O)N(C)[C@H]2c2ccncc2)n1 ZINC000886038090 691989916 /nfs/dbraw/zinc/98/99/16/691989916.db2.gz HUMOZCZZFWTRRZ-RDJZCZTQSA-N 0 0 321.384 2.288 10 30 DEEERN N#Cc1cnc(NCc2nnc([C@@H]3CCCOC3)o2)c(Cl)c1 ZINC000886079422 691998848 /nfs/dbraw/zinc/99/88/48/691998848.db2.gz XEGRQULSVVZUJN-SNVBAGLBSA-N 0 0 319.752 2.496 10 30 DEEERN CCn1cc([C@@H]2OCCC[C@H]2CNc2cnc(C#N)cn2)cn1 ZINC000886088724 692000651 /nfs/dbraw/zinc/00/06/51/692000651.db2.gz QLCLLCNGIHXVRB-BLLLJJGKSA-N 0 0 312.377 2.144 10 30 DEEERN C#CC[C@H](COC)NC(=O)c1cc(F)ccc1Br ZINC000716889071 793020338 /nfs/dbraw/zinc/02/03/38/793020338.db2.gz RPTSYBQHQAQSMC-SNVBAGLBSA-N 0 0 314.154 2.356 10 30 DEEERN CC[C@H](C[C@H](C)O)NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000716955088 797953323 /nfs/dbraw/zinc/95/33/23/797953323.db2.gz SNTCPBYYHBWRFF-GXSJLCMTSA-N 0 0 316.810 2.039 10 30 DEEERN C#CCN(C(=O)Cc1cccc(OCC#N)c1)c1nccs1 ZINC000089821850 801020281 /nfs/dbraw/zinc/02/02/81/801020281.db2.gz RYGLFMPEIZIUGQ-UHFFFAOYSA-N 0 0 311.366 2.254 10 30 DEEERN C#CC[C@H](C)OC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000083790442 1081433820 /nfs/dbraw/zinc/43/38/20/1081433820.db2.gz BUGAEVJRMZWAFH-BLLLJJGKSA-N 0 0 303.358 2.218 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1cccc2nsnc21)C(C)(C)C ZINC000702237908 1086418130 /nfs/dbraw/zinc/41/81/30/1086418130.db2.gz AMLXNBMMRRXGFQ-LLVKDONJSA-N 0 0 309.416 2.018 10 30 DEEERN C=CCCO[C@H](C)C(=O)Nc1ccc(S(C)(=O)=O)cc1C ZINC000074630111 185004594 /nfs/dbraw/zinc/00/45/94/185004594.db2.gz XAJKQNUNMMYMCU-GFCCVEGCSA-N 0 0 311.403 2.318 10 30 DEEERN N#Cc1ccc(NC(=O)[C@H]2NC(=O)O[C@H]2c2ccccc2)cc1 ZINC000074695067 185010004 /nfs/dbraw/zinc/01/00/04/185010004.db2.gz YXEHRBZENOBNKQ-GJZGRUSLSA-N 0 0 307.309 2.346 10 30 DEEERN C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1C[C@@H]2COC[C@@]2(C)C1 ZINC000624842900 365568506 /nfs/dbraw/zinc/56/85/06/365568506.db2.gz FADJMXRAQUGOMY-VMUDFCTBSA-N 0 0 318.421 2.177 10 30 DEEERN C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1(CC)CCC1 ZINC000278438684 214153014 /nfs/dbraw/zinc/15/30/14/214153014.db2.gz VWGQNETXQZEMQJ-UHFFFAOYSA-N 0 0 318.348 2.225 10 30 DEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCc1ccoc1 ZINC000612403425 361816490 /nfs/dbraw/zinc/81/64/90/361816490.db2.gz JAIVYDTXODGXKY-GJZGRUSLSA-N 0 0 304.390 2.189 10 30 DEEERN C=C(CNS(=O)(=O)C[C@@H](OCC)C1CC1)c1ccccc1 ZINC000625221321 365687041 /nfs/dbraw/zinc/68/70/41/365687041.db2.gz KYYBPVYQFHMZNU-MRXNPFEDSA-N 0 0 309.431 2.434 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@H]1C[C@@H](OCC)C12CCC2 ZINC000612486678 361840107 /nfs/dbraw/zinc/84/01/07/361840107.db2.gz STVIWZBLFZNVEX-HRCADAONSA-N 0 0 322.449 2.263 10 30 DEEERN C[C@@H](NC(=O)[C@]1(C)CCCS1)c1cccc(C#CCO)c1 ZINC000164885550 197666387 /nfs/dbraw/zinc/66/63/87/197666387.db2.gz SHOZKANBKBCRSV-DYVFJYSZSA-N 0 0 303.427 2.493 10 30 DEEERN COc1ccc(C#CCO)c(CSc2ncc(C)cn2)c1 ZINC000087788946 185232168 /nfs/dbraw/zinc/23/21/68/185232168.db2.gz XQJUJYDHUSCUIB-UHFFFAOYSA-N 0 0 300.383 2.430 10 30 DEEERN Cn1cc(Cl)cc1C(=O)Nc1ccc(C#CCO)c(F)c1 ZINC000088082233 185238962 /nfs/dbraw/zinc/23/89/62/185238962.db2.gz DGLGUTVMZBRPAW-UHFFFAOYSA-N 0 0 306.724 2.414 10 30 DEEERN CCC[C@H](COc1c(C)cc(C#N)cc1C)CS(N)(=O)=O ZINC000088163556 185240724 /nfs/dbraw/zinc/24/07/24/185240724.db2.gz SCJKTJWQIXBKJS-CYBMUJFWSA-N 0 0 310.419 2.259 10 30 DEEERN CCN(CCC#N)C(=O)c1sc2nnc(C)c(C)c2c1N ZINC000088642099 185261007 /nfs/dbraw/zinc/26/10/07/185261007.db2.gz TVUHNNWIOCKVJV-UHFFFAOYSA-N 0 0 303.391 2.266 10 30 DEEERN Cc1nnc2sc(C(=O)N(C)[C@@H](C)CC#N)c(N)c2c1C ZINC000088643393 185261273 /nfs/dbraw/zinc/26/12/73/185261273.db2.gz HJOAKYMDTUCWLX-ZETCQYMHSA-N 0 0 303.391 2.265 10 30 DEEERN C#CCOc1ccc(CN[C@@H]2CCCn3nc(CC)nc32)cc1 ZINC000088757554 185264380 /nfs/dbraw/zinc/26/43/80/185264380.db2.gz FIDGGMAFZKYAAV-MRXNPFEDSA-N 0 0 310.401 2.477 10 30 DEEERN COCc1cncc(C(=O)N(CCC#N)Cc2ccccn2)c1 ZINC000613231684 362049744 /nfs/dbraw/zinc/04/97/44/362049744.db2.gz DRQVCSOSRXAURA-UHFFFAOYSA-N 0 0 310.357 2.179 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1cncc(Br)c1C ZINC000613252173 362058282 /nfs/dbraw/zinc/05/82/82/362058282.db2.gz CRLFZVBUOKLJFA-SNVBAGLBSA-N 0 0 313.195 2.067 10 30 DEEERN C=CC[NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)[O-] ZINC000092476385 185320939 /nfs/dbraw/zinc/32/09/39/185320939.db2.gz ACUSONVGYLHHDL-UHFFFAOYSA-N 0 0 302.252 2.118 10 30 DEEERN C=C[C@@H](O)C(=O)N1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000613789088 362210029 /nfs/dbraw/zinc/21/00/29/362210029.db2.gz XXHSNDLTBYAVSN-CQSZACIVSA-N 0 0 300.358 2.389 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)C1 ZINC000625356078 365745403 /nfs/dbraw/zinc/74/54/03/365745403.db2.gz ZNSAOMTXLVBZGG-OLZOCXBDSA-N 0 0 309.435 2.367 10 30 DEEERN COC[C@H](C)C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000103433602 185451469 /nfs/dbraw/zinc/45/14/69/185451469.db2.gz HVZRQTIQFHWHFF-CABZTGNLSA-N 0 0 311.179 2.412 10 30 DEEERN Cc1cnn(C[C@@H]2CN(c3snc(Cl)c3C#N)CCO2)c1 ZINC000108950011 185542813 /nfs/dbraw/zinc/54/28/13/185542813.db2.gz PXZUPYLPWMRAIB-JTQLQIEISA-N 0 0 323.809 2.079 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](c2cc(C)ccn2)C1 ZINC000615915440 362732138 /nfs/dbraw/zinc/73/21/38/362732138.db2.gz YHIZVRPEWIGOJA-RDJZCZTQSA-N 0 0 315.417 2.177 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000625525718 365814500 /nfs/dbraw/zinc/81/45/00/365814500.db2.gz KMDOQTNDFWIGEV-GOSISDBHSA-N 0 0 322.449 2.124 10 30 DEEERN C=CCNc1nnc(SCCCCS(C)(=O)=O)s1 ZINC000162224345 539596760 /nfs/dbraw/zinc/59/67/60/539596760.db2.gz VMGJNZQBCKTXCY-UHFFFAOYSA-N 0 0 307.466 2.053 10 30 DEEERN CS(=O)(=O)N1c2ccccc2NC[C@H]1c1ccccc1C#N ZINC000616684418 362908795 /nfs/dbraw/zinc/90/87/95/362908795.db2.gz JYZGENNONNTEGF-INIZCTEOSA-N 0 0 313.382 2.491 10 30 DEEERN CS(=O)(=O)N1C[C@H](c2ccc(C#N)cc2)Nc2ccccc21 ZINC000616690187 362910278 /nfs/dbraw/zinc/91/02/78/362910278.db2.gz FITYCSPFRDGTPS-OAHLLOKOSA-N 0 0 313.382 2.491 10 30 DEEERN Cn1c(Cn2cc(C#N)c(=O)c3ccccc32)nnc1C1CCC1 ZINC000181104033 539649547 /nfs/dbraw/zinc/64/95/47/539649547.db2.gz BUXHAYTXJUFXQF-UHFFFAOYSA-N 0 0 319.368 2.317 10 30 DEEERN CC(=O)c1ccc(C#N)c(N2CCO[C@@](C)(c3cnn(C)c3)C2)c1 ZINC000272510701 209920133 /nfs/dbraw/zinc/92/01/33/209920133.db2.gz MNHOKAZMPZYILJ-GOSISDBHSA-N 0 0 324.384 2.246 10 30 DEEERN Cc1cc(C#CCO)cc(C(=O)N2CCS[C@H](C)[C@@H]2C)c1 ZINC000133658741 186004298 /nfs/dbraw/zinc/00/42/98/186004298.db2.gz WFKUZSOEPRYXEJ-UONOGXRCSA-N 0 0 303.427 2.305 10 30 DEEERN CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C#N)c1ncc[nH]1 ZINC000141341245 186030136 /nfs/dbraw/zinc/03/01/36/186030136.db2.gz WWUFJMDCQDHNPG-LLVKDONJSA-N 0 0 324.793 2.364 10 30 DEEERN Cc1ncccc1C(=O)NCc1sccc1C#CCCO ZINC000148617202 186044899 /nfs/dbraw/zinc/04/48/99/186044899.db2.gz SCTLYXSRHPQGLC-UHFFFAOYSA-N 0 0 300.383 2.115 10 30 DEEERN Cc1ccccc1[C@H](C)NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000171105984 197881418 /nfs/dbraw/zinc/88/14/18/197881418.db2.gz ALNRDLXKGWINGO-AWEZNQCLSA-N 0 0 321.380 2.474 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCc2nnc(C)n2C1 ZINC000617039422 363006962 /nfs/dbraw/zinc/00/69/62/363006962.db2.gz HDCGRODUZAXGFQ-ILXRZTDVSA-N 0 0 302.422 2.400 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cn(CC2(C)COC2)nn1 ZINC000617042984 363007777 /nfs/dbraw/zinc/00/77/77/363007777.db2.gz XWUJXVLECMANAY-ZIAGYGMSSA-N 0 0 318.421 2.179 10 30 DEEERN C=CCOc1ccc(C(=O)NC[C@@H](OC)[C@@H]2CCOC2)cc1 ZINC000617147300 363037420 /nfs/dbraw/zinc/03/74/20/363037420.db2.gz COCRIICELCFEGU-GDBMZVCRSA-N 0 0 305.374 2.033 10 30 DEEERN C=CCOc1ccccc1C(=O)NC[C@H](OC)[C@H]1CCOC1 ZINC000617148332 363037481 /nfs/dbraw/zinc/03/74/81/363037481.db2.gz PZIWVLZFBRKTTB-BBRMVZONSA-N 0 0 305.374 2.033 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(CC#N)CC1 ZINC000595498856 358465010 /nfs/dbraw/zinc/46/50/10/358465010.db2.gz JRJYDSAVUKEZJE-ZBFHGGJFSA-N 0 0 304.438 2.408 10 30 DEEERN C=CCCC1(CNC(=O)[C@@H](C)N2CCN(C)CC2)CCCC1 ZINC000617417245 363127355 /nfs/dbraw/zinc/12/73/55/363127355.db2.gz RDGFRHISJVCAIY-MRXNPFEDSA-N 0 0 307.482 2.265 10 30 DEEERN C=CCCC1(CNC(=O)CCCS(C)(=O)=O)CCCC1 ZINC000617417173 363127491 /nfs/dbraw/zinc/12/74/91/363127491.db2.gz OMFMTKMKPQWNFE-UHFFFAOYSA-N 0 0 301.452 2.454 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)[C@H]1CCCN(C)C1=O ZINC000294363694 539841712 /nfs/dbraw/zinc/84/17/12/539841712.db2.gz APMDKDJHMFXAOL-INIZCTEOSA-N 0 0 300.402 2.112 10 30 DEEERN COCC1CCN(C(=O)NC[C@@H]2CCCn3cc(C)nc32)CC1 ZINC000328701019 539909854 /nfs/dbraw/zinc/90/98/54/539909854.db2.gz IZALXQPRPRKVRQ-HNNXBMFYSA-N 0 0 320.437 2.341 10 30 DEEERN C=CCN(C(=O)C[C@@H](NC(C)=O)c1ccccc1)[C@@H](C)COC ZINC000617575054 363192548 /nfs/dbraw/zinc/19/25/48/363192548.db2.gz OSQTZYLGSNVUQJ-WMLDXEAASA-N 0 0 318.417 2.303 10 30 DEEERN C[C@H](NC(=O)C1CCCC1)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000329268876 539917023 /nfs/dbraw/zinc/91/70/23/539917023.db2.gz GTBGWPNUZZIOJQ-SWLSCSKDSA-N 0 0 307.438 2.074 10 30 DEEERN C=CCN(C(=O)CNC(=O)c1ccc(C)c(C)c1)[C@H](C)COC ZINC000617575137 363193107 /nfs/dbraw/zinc/19/31/07/363193107.db2.gz QPDFZIPSBOQGBH-OAHLLOKOSA-N 0 0 318.417 2.083 10 30 DEEERN C[C@@H]1CCc2ccccc2N1CCC(=O)N[C@H]1CC(=O)N(C)C1 ZINC000329668451 539926590 /nfs/dbraw/zinc/92/65/90/539926590.db2.gz QZMBOVDWMVSWOL-HIFRSBDPSA-N 0 0 315.417 2.405 10 30 DEEERN Cn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000329717508 539928413 /nfs/dbraw/zinc/92/84/13/539928413.db2.gz XRSPCXZOYGKFLC-NDBYEHHHSA-N 0 0 310.373 2.034 10 30 DEEERN C[C@H]1CC(NS(=O)(=O)c2ccc(N)cc2C#N)C[C@H](C)C1 ZINC000084972660 192477055 /nfs/dbraw/zinc/47/70/55/192477055.db2.gz VDQGJKWLQAENIS-GHMZBOCLSA-N 0 0 307.419 2.243 10 30 DEEERN C#CCSCCNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000173881129 198263505 /nfs/dbraw/zinc/26/35/05/198263505.db2.gz JZPHOOKZJIUUJD-UONOGXRCSA-N 0 0 317.410 2.044 10 30 DEEERN N#CCSc1nnc(N)n1CCOc1ccc(Cl)cc1 ZINC000001923336 180901957 /nfs/dbraw/zinc/90/19/57/180901957.db2.gz VZVNPNORDFUOPW-UHFFFAOYSA-N 0 0 309.782 2.208 10 30 DEEERN CCOc1ccc(S(=O)(=O)N/N=C/c2ccc(O)cc2)cc1 ZINC000003526706 181030409 /nfs/dbraw/zinc/03/04/09/181030409.db2.gz GDQSQJGFNWXYNR-LFIBNONCSA-N 0 0 320.370 2.103 10 30 DEEERN N#Cc1cccc(CNC(=O)c2ccc(-n3cncn3)cc2)c1 ZINC000045214327 354252383 /nfs/dbraw/zinc/25/23/83/354252383.db2.gz YBZBICAFQRJIPC-UHFFFAOYSA-N 0 0 303.325 2.069 10 30 DEEERN COc1cccc(/C=N/NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)c1O ZINC000004322494 181097710 /nfs/dbraw/zinc/09/77/10/181097710.db2.gz ZHGCJBOHOQMSQH-GINUWRQKSA-N 0 0 319.430 2.387 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(C)n3)cc2C1=O ZINC000047220675 354310491 /nfs/dbraw/zinc/31/04/91/354310491.db2.gz PUPAFBAYLUVZKL-UHFFFAOYSA-N 0 0 321.336 2.424 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2ccc(OCC(=O)NC)cc2)C1 ZINC000626368412 366163363 /nfs/dbraw/zinc/16/33/63/366163363.db2.gz LYUOAEMPPDADMV-ZDUSSCGKSA-N 0 0 317.389 2.241 10 30 DEEERN C=CCOCCNC(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000626404209 366175156 /nfs/dbraw/zinc/17/51/56/366175156.db2.gz WCNKOWPUNQLPBX-JTQLQIEISA-N 0 0 317.311 2.098 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1 ZINC000626402601 366175651 /nfs/dbraw/zinc/17/56/51/366175651.db2.gz HYLGNGZIOAPWHI-ZFWWWQNUSA-N 0 0 304.394 2.492 10 30 DEEERN C=CCNC(=O)NC(=O)CN(Cc1ccco1)C1CCCC1 ZINC000052076686 354394636 /nfs/dbraw/zinc/39/46/36/354394636.db2.gz BQBIRACOZZFVKX-UHFFFAOYSA-N 0 0 305.378 2.036 10 30 DEEERN C=CCC1(NC(=O)c2cc3c(cc2OC)OCO3)CCOCC1 ZINC000618249090 363430902 /nfs/dbraw/zinc/43/09/02/363430902.db2.gz GFVUZOXJSDDPCP-UHFFFAOYSA-N 0 0 319.357 2.279 10 30 DEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000408334223 283066133 /nfs/dbraw/zinc/06/61/33/283066133.db2.gz MQASRTBFUOAFEY-GHMZBOCLSA-N 0 0 301.371 2.153 10 30 DEEERN CC(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)C#N)cc1Cl ZINC000357897106 540094729 /nfs/dbraw/zinc/09/47/29/540094729.db2.gz WQWUVCRQOBPATK-UHFFFAOYSA-N 0 0 321.764 2.147 10 30 DEEERN CS(=O)(=O)c1ccc(CCNc2ccc(C#N)cn2)cc1 ZINC000078380770 355258103 /nfs/dbraw/zinc/25/81/03/355258103.db2.gz TWXGJLMVAWQGCX-UHFFFAOYSA-N 0 0 301.371 2.011 10 30 DEEERN COC(=O)CCCCCNC(=O)NCc1ccc(C#N)cc1F ZINC000105721229 355721304 /nfs/dbraw/zinc/72/13/04/355721304.db2.gz PVGMWYWWVTXREY-UHFFFAOYSA-N 0 0 321.352 2.230 10 30 DEEERN C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161339614 355968517 /nfs/dbraw/zinc/96/85/17/355968517.db2.gz SFEYLUMEUHDQBB-GFCCVEGCSA-N 0 0 317.418 2.052 10 30 DEEERN N#CCC[C@H](NC(=O)NCCCn1ccnn1)c1ccccc1 ZINC000183033740 356156736 /nfs/dbraw/zinc/15/67/36/356156736.db2.gz JHBBRWJBBCCNAG-HNNXBMFYSA-N 0 0 312.377 2.012 10 30 DEEERN COc1ccc2ccccc2c1C=NNc1nc(C)cc(=O)[nH]1 ZINC000005544416 181255193 /nfs/dbraw/zinc/25/51/93/181255193.db2.gz HRQINFHOTKCDEE-ZDLGFXPLSA-N 0 0 308.341 2.108 10 30 DEEERN C[C@H](C#N)CNC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000182633894 356134853 /nfs/dbraw/zinc/13/48/53/356134853.db2.gz ROHRAZRPVMJEFD-LLVKDONJSA-N 0 0 316.336 2.482 10 30 DEEERN N#CC1(c2ccc(C(=O)NCc3cccc(C(N)=O)c3)cc2)CC1 ZINC000182861034 356149252 /nfs/dbraw/zinc/14/92/52/356149252.db2.gz DYPXJTHNVBSBGO-UHFFFAOYSA-N 0 0 319.364 2.271 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(-c2nnc(CC)o2)cc1 ZINC000186300296 356212151 /nfs/dbraw/zinc/21/21/51/356212151.db2.gz YXJXRMPLHQZJMP-CYBMUJFWSA-N 0 0 316.361 2.358 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000184437808 356190999 /nfs/dbraw/zinc/19/09/99/356190999.db2.gz VQXBWQHSTAFJOZ-OAGGEKHMSA-N 0 0 304.390 2.143 10 30 DEEERN N#Cc1cc(OC(F)(F)F)ncc1I ZINC000238526161 356304535 /nfs/dbraw/zinc/30/45/35/356304535.db2.gz WEPMWHHBVVAXBI-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000080979702 192207203 /nfs/dbraw/zinc/20/72/03/192207203.db2.gz KTEATYGNXDGVTJ-UHFFFAOYSA-N 0 0 319.368 2.055 10 30 DEEERN COC(=O)c1cc(F)c(C#N)c(I)c1 ZINC000306692620 356405465 /nfs/dbraw/zinc/40/54/65/356405465.db2.gz RWIIBTBUSBEGNY-UHFFFAOYSA-N 0 0 305.046 2.089 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N(C)C[C@H]1CCc2nccn2C1 ZINC000328618510 356460697 /nfs/dbraw/zinc/46/06/97/356460697.db2.gz DTVDWPARHUARBI-OAHLLOKOSA-N 0 0 308.385 2.398 10 30 DEEERN Cc1noc(CNC(=O)NC[C@@H]2CCCc3sc(C)nc32)n1 ZINC000328630477 356463594 /nfs/dbraw/zinc/46/35/94/356463594.db2.gz PXSJDVOMKSJSRG-JTQLQIEISA-N 0 0 321.406 2.267 10 30 DEEERN C=CCOCCCNC(=O)CCc1nc(-c2ccsc2)no1 ZINC000618517315 363513813 /nfs/dbraw/zinc/51/38/13/363513813.db2.gz JEMFOFAWCHMJJA-UHFFFAOYSA-N 0 0 321.402 2.440 10 30 DEEERN C=CCOCCCNC(=O)CNc1cc(Cl)ccc1OC ZINC000618522405 363514830 /nfs/dbraw/zinc/51/48/30/363514830.db2.gz GOJNQRGQZOMYRO-UHFFFAOYSA-N 0 0 312.797 2.469 10 30 DEEERN C=CCN(Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H](C)COC ZINC000595638540 358509308 /nfs/dbraw/zinc/50/93/08/358509308.db2.gz HXWAHUXMAGATPV-LBPRGKRZSA-N 0 0 322.361 2.404 10 30 DEEERN C=CCOCCNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000365023679 356666080 /nfs/dbraw/zinc/66/60/80/356666080.db2.gz XIDPVPVNDHJDHK-INIZCTEOSA-N 0 0 306.381 2.109 10 30 DEEERN N#C[C@@H]1CCC[C@H]1Nc1ncc(I)cn1 ZINC000380203971 356668931 /nfs/dbraw/zinc/66/89/31/356668931.db2.gz VMRYMYMIEVHDOC-IONNQARKSA-N 0 0 314.130 2.185 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)nc1 ZINC000578187048 356774427 /nfs/dbraw/zinc/77/44/27/356774427.db2.gz LRMJENGKFOYJHB-ONGXEEELSA-N 0 0 300.280 2.421 10 30 DEEERN C=CC[C@H](Cc1ccccc1)N1C(=O)N[C@@H](c2ccn(C)n2)C1=O ZINC000578338126 356801510 /nfs/dbraw/zinc/80/15/10/356801510.db2.gz NFLXNQZQYPUHBL-ZBFHGGJFSA-N 0 0 324.384 2.200 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000581809900 357249079 /nfs/dbraw/zinc/24/90/79/357249079.db2.gz WMXDBWASCHEROM-YLVFBTJISA-N 0 0 318.348 2.184 10 30 DEEERN N#Cc1ccc(CNC(=O)C(=O)NC2CCCCCC2)c(F)c1 ZINC000585683113 357346160 /nfs/dbraw/zinc/34/61/60/357346160.db2.gz MFEYQHJSEPJUHV-UHFFFAOYSA-N 0 0 317.364 2.153 10 30 DEEERN C[C@H](N(C)C(=O)C(=O)NCc1ccc(C#N)cc1F)C(C)(C)C ZINC000586863046 357377735 /nfs/dbraw/zinc/37/77/35/357377735.db2.gz IINPOMUGDAHWEJ-NSHDSACASA-N 0 0 319.380 2.207 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000178659339 198906025 /nfs/dbraw/zinc/90/60/25/198906025.db2.gz FZQBCRZXDHNFJT-CQSZACIVSA-N 0 0 323.400 2.326 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000178663530 198906681 /nfs/dbraw/zinc/90/66/81/198906681.db2.gz BYEKSODRTUEXLG-AWEZNQCLSA-N 0 0 300.358 2.092 10 30 DEEERN C=CCOc1ccc(C(=O)N2C[C@@H]3COC[C@@]3(C)C2)cc1OC ZINC000618722410 363586596 /nfs/dbraw/zinc/58/65/96/363586596.db2.gz MTNOBPZKMMZEBU-RDTXWAMCSA-N 0 0 317.385 2.369 10 30 DEEERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cc(C#N)ccc2F)C1 ZINC000591653409 357748413 /nfs/dbraw/zinc/74/84/13/357748413.db2.gz NISXWOFZDBQWPM-HIFRSBDPSA-N 0 0 300.337 2.382 10 30 DEEERN C=CCC1(C(=O)NCc2ccc(C(=O)OCC)o2)CCOCC1 ZINC000591770183 357758663 /nfs/dbraw/zinc/75/86/63/357758663.db2.gz FAAHDNHLWNVSOQ-UHFFFAOYSA-N 0 0 321.373 2.445 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592709439 357929284 /nfs/dbraw/zinc/92/92/84/357929284.db2.gz RGXWALJVWLQWGE-GUIRCDHDSA-N 0 0 301.452 2.240 10 30 DEEERN C=CCOc1ccc(CC(=O)NC[C@H](CC)C(=O)OC)cc1 ZINC000592860455 357962596 /nfs/dbraw/zinc/96/25/96/357962596.db2.gz AUNLRHZAVIUMSM-AWEZNQCLSA-N 0 0 305.374 2.109 10 30 DEEERN Cn1c(=O)ccc2ccc(NC(=O)N3CC[C@@](F)(C#N)C3)cc21 ZINC000618774064 363601047 /nfs/dbraw/zinc/60/10/47/363601047.db2.gz IZCBPTUWULQOBE-MRXNPFEDSA-N 0 0 314.320 2.008 10 30 DEEERN C=CCCn1cc(CSCC(=O)N(C)CC(F)(F)F)nn1 ZINC000594565317 358294970 /nfs/dbraw/zinc/29/49/70/358294970.db2.gz WWMYTCAMHUMXLB-UHFFFAOYSA-N 0 0 322.356 2.108 10 30 DEEERN C=CCOC[C@@H](NCc1ccc(C(C)(C)C#N)cc1)C(=O)OC ZINC000594615260 358306772 /nfs/dbraw/zinc/30/67/72/358306772.db2.gz QREKWJVHEVMRDQ-MRXNPFEDSA-N 0 0 316.401 2.322 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC[C@H]1c1cccc(F)c1 ZINC000618782645 363603334 /nfs/dbraw/zinc/60/33/34/363603334.db2.gz 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C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000598825225 359335218 /nfs/dbraw/zinc/33/52/18/359335218.db2.gz YBHCLTIWZLJQNY-HUUCEWRRSA-N 0 0 319.792 2.492 10 30 DEEERN CC(=O)N1CCc2c(C#N)c(NC(=O)[C@@H]3CC34CC4)sc2C1 ZINC000598889689 359352120 /nfs/dbraw/zinc/35/21/20/359352120.db2.gz AGCUMYIWLJTUTG-LBPRGKRZSA-N 0 0 315.398 2.263 10 30 DEEERN C=CCCCS(=O)(=O)N1CCc2c(CC#N)cccc2C1 ZINC000599516875 359515700 /nfs/dbraw/zinc/51/57/00/359515700.db2.gz YPCJPBRIEFTQKQ-UHFFFAOYSA-N 0 0 304.415 2.407 10 30 DEEERN C=CC[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000599526912 359517269 /nfs/dbraw/zinc/51/72/69/359517269.db2.gz WIFTUSOLQNIZFW-LBPRGKRZSA-N 0 0 319.361 2.440 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599375397 359482497 /nfs/dbraw/zinc/48/24/97/359482497.db2.gz UWCAKNAOJYSCTE-AWEZNQCLSA-N 0 0 324.402 2.365 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000599375312 359482513 /nfs/dbraw/zinc/48/25/13/359482513.db2.gz 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N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2n2cccn2)cc1O ZINC000188597737 200272195 /nfs/dbraw/zinc/27/21/95/200272195.db2.gz LEHXHZHZBADKFM-HUUCEWRRSA-N 0 0 310.357 2.374 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2cccc([N+](=O)[O-])c2C)C1=O ZINC000601068617 359911537 /nfs/dbraw/zinc/91/15/37/359911537.db2.gz NSOMBMDSRAMOLU-GFCCVEGCSA-N 0 0 303.318 2.290 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc3nc(C)cn3c2)C1 ZINC000627733840 366603686 /nfs/dbraw/zinc/60/36/86/366603686.db2.gz FLEQXMYTXANWIR-ZDUSSCGKSA-N 0 0 312.373 2.006 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(OC)ccc2OC)C1 ZINC000627735866 366605034 /nfs/dbraw/zinc/60/50/34/366605034.db2.gz FODWUTFOFDFFSJ-GFCCVEGCSA-N 0 0 318.373 2.067 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)C(=O)OC ZINC000601771611 360140349 /nfs/dbraw/zinc/14/03/49/360140349.db2.gz JAUYLICWBNFXKK-HIFRSBDPSA-N 0 0 305.374 2.386 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1)C(=O)OC ZINC000601771613 360140577 /nfs/dbraw/zinc/14/05/77/360140577.db2.gz JAUYLICWBNFXKK-ZFWWWQNUSA-N 0 0 305.374 2.386 10 30 DEEERN C=CCOc1ccc(C(=O)N[C@@H](CC(=C)C)C(=O)OC)cc1 ZINC000601778193 360143622 /nfs/dbraw/zinc/14/36/22/360143622.db2.gz MQYGPNQHECPBRQ-HNNXBMFYSA-N 0 0 303.358 2.489 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H](C)Sc1ccccn1)C(=O)OC ZINC000601780170 360144465 /nfs/dbraw/zinc/14/44/65/360144465.db2.gz BDQZIGFPSPHRKJ-NEPJUHHUSA-N 0 0 308.403 2.186 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1nnc(C(C)(C)C)s1)C(=O)OC ZINC000601780413 360144578 /nfs/dbraw/zinc/14/45/78/360144578.db2.gz BXYYMYSXUQXNHL-SECBINFHSA-N 0 0 311.407 2.073 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1CCc2ccc(OC)cc21)C(=O)OC ZINC000601781734 360145493 /nfs/dbraw/zinc/14/54/93/360145493.db2.gz LCADCZVTKZTQBP-ZBFHGGJFSA-N 0 0 317.385 2.349 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccc(C(=O)OCC)cc1)C(=O)OC ZINC000601783231 360146642 /nfs/dbraw/zinc/14/66/42/360146642.db2.gz VJRFZHSXGYROCL-CQSZACIVSA-N 0 0 319.357 2.101 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1ccn(C2CCCC2)n1)C(=O)OC ZINC000601782979 360146648 /nfs/dbraw/zinc/14/66/48/360146648.db2.gz UATARHVMHOYWNL-CQSZACIVSA-N 0 0 305.378 2.236 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cccc2c1OCCCO2)C(=O)OC ZINC000601784084 360147536 /nfs/dbraw/zinc/14/75/36/360147536.db2.gz GRAMFXDIOZTFQH-CYBMUJFWSA-N 0 0 319.357 2.086 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1CCc2ccccc2C1)C(=O)OC ZINC000601783705 360147556 /nfs/dbraw/zinc/14/75/56/360147556.db2.gz DDNWLMFPZYPXFH-CVEARBPZSA-N 0 0 301.386 2.416 10 30 DEEERN C=C(C)C[C@H](NC(=O)COCc1ccccc1C)C(=O)OC ZINC000601784512 360147799 /nfs/dbraw/zinc/14/77/99/360147799.db2.gz JNLRGADNMXIINL-HNNXBMFYSA-N 0 0 305.374 2.136 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(Br)co1)C(=O)OC ZINC000601784584 360148023 /nfs/dbraw/zinc/14/80/23/360148023.db2.gz KTMJLHLWJTWVRC-SECBINFHSA-N 0 0 316.151 2.280 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@@H]1CCc2ccccc2O1)C(=O)OC ZINC000601785607 360148544 /nfs/dbraw/zinc/14/85/44/360148544.db2.gz SWQMVDYGCJRFRZ-ZFWWWQNUSA-N 0 0 303.358 2.004 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H]1CCc2ccccc2O1)C(=O)OC ZINC000601785598 360148895 /nfs/dbraw/zinc/14/88/95/360148895.db2.gz SWQMVDYGCJRFRZ-DZGCQCFKSA-N 0 0 303.358 2.004 10 30 DEEERN C=C(C)C[C@H](NC(=O)C[C@H](C)n1ccnc1CC)C(=O)OC ZINC000601785036 360148963 /nfs/dbraw/zinc/14/89/63/360148963.db2.gz OVEWXNGBWPRJQX-STQMWFEESA-N 0 0 307.394 2.021 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cnc([C@H]2CCCO2)s1)C(=O)OC ZINC000601787234 360149534 /nfs/dbraw/zinc/14/95/34/360149534.db2.gz LEBXOYKIWGWDBN-GHMZBOCLSA-N 0 0 324.402 2.232 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1[nH]c(C)c(C(C)=O)c1CC)C(=O)OC ZINC000601787039 360149641 /nfs/dbraw/zinc/14/96/41/360149641.db2.gz WTFIIKZCRVRXSX-CYBMUJFWSA-N 0 0 320.389 2.326 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H]1COc2cc(F)ccc2C1)C(=O)OC ZINC000601786133 360149676 /nfs/dbraw/zinc/14/96/76/360149676.db2.gz WRMDWFZIUXVIEA-TZMCWYRMSA-N 0 0 321.348 2.001 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cc(SC)ccc1O)C(=O)OC ZINC000601786511 360149818 /nfs/dbraw/zinc/14/98/18/360149818.db2.gz XYZLJQOIDHTIKF-GFCCVEGCSA-N 0 0 309.387 2.352 10 30 DEEERN C=CCn1c(-c2ncccn2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601853517 360175208 /nfs/dbraw/zinc/17/52/08/360175208.db2.gz BRHBFMGDLZSNQI-CHWSQXEVSA-N 0 0 309.377 2.050 10 30 DEEERN C=CCC1(C(=O)N2CCO[C@](C)(C(=O)OCC)C2)CCCC1 ZINC000601902541 360187912 /nfs/dbraw/zinc/18/79/12/360187912.db2.gz ORPGYZMRJFNECK-INIZCTEOSA-N 0 0 309.406 2.304 10 30 DEEERN C=CCn1c(SC[C@H](O)CC2(C#N)CC2)nnc1C1CC1 ZINC000601952019 360206609 /nfs/dbraw/zinc/20/66/09/360206609.db2.gz ADZAJYCFYXICPH-GFCCVEGCSA-N 0 0 304.419 2.488 10 30 DEEERN C=CCCSCCNC(=O)N1CCO[C@H](C(F)F)CC1 ZINC000602332963 360342936 /nfs/dbraw/zinc/34/29/36/360342936.db2.gz IFWOYWXHIQBJIU-NSHDSACASA-N 0 0 308.394 2.361 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@@](OC)(C(=O)OC)C1 ZINC000602336027 360343450 /nfs/dbraw/zinc/34/34/50/360343450.db2.gz WTVXZMSHMAFHPJ-CPUCHLNUSA-N 0 0 324.421 2.095 10 30 DEEERN C=C(C)C[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)C(=O)OC ZINC000602416833 360363353 /nfs/dbraw/zinc/36/33/53/360363353.db2.gz YAZCFDNKEYVPEF-PIGZVRMJSA-N 0 0 307.390 2.006 10 30 DEEERN C=C(C)C[C@@H](NCc1ccc(-n2cncn2)c(C)c1)C(=O)OC ZINC000602735082 360525944 /nfs/dbraw/zinc/52/59/44/360525944.db2.gz SIHAMMGQRBJPQK-OAHLLOKOSA-N 0 0 314.389 2.173 10 30 DEEERN C=CCOc1ccc(C(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000603105792 360702728 /nfs/dbraw/zinc/70/27/28/360702728.db2.gz NQCJRNOVFPXYCA-GASCZTMLSA-N 0 0 313.401 2.310 10 30 DEEERN N#C[C@H](NC(=O)CN1CCCCCCC1=O)c1ccc(F)cc1 ZINC000604130444 360886880 /nfs/dbraw/zinc/88/68/80/360886880.db2.gz QCVMDBMABUUUSU-HNNXBMFYSA-N 0 0 317.364 2.299 10 30 DEEERN N#Cc1ccc(CNC(=O)Cn2cnc3ccccc32)c(F)c1 ZINC000609231581 361290848 /nfs/dbraw/zinc/29/08/48/361290848.db2.gz FHLZKYONVDALCI-UHFFFAOYSA-N 0 0 308.316 2.363 10 30 DEEERN C=CCN(C(=O)c1cc(C)n(C2CCOCC2)n1)[C@@H](C)COC ZINC000628055060 366705586 /nfs/dbraw/zinc/70/55/86/366705586.db2.gz PQKUTCCWQSBVCJ-AWEZNQCLSA-N 0 0 321.421 2.206 10 30 DEEERN C=CCOCCCNC(=O)c1cc(O)cc(Br)c1 ZINC000628087982 366716292 /nfs/dbraw/zinc/71/62/92/366716292.db2.gz POQWPZFOWWIWJS-UHFFFAOYSA-N 0 0 314.179 2.477 10 30 DEEERN C[C@H](O)C[C@@H](CNC(=O)c1ccnc(C#N)c1)c1ccccc1 ZINC000193526767 201069916 /nfs/dbraw/zinc/06/99/16/201069916.db2.gz CGYDHHMXLQJDMH-BBRMVZONSA-N 0 0 309.369 2.238 10 30 DEEERN CC[C@H](C[C@@H](C)CO)NC(=O)NCc1ccc(C#N)cc1F ZINC000610402572 361393775 /nfs/dbraw/zinc/39/37/75/361393775.db2.gz SAMRQLIVLJSWTN-BXUZGUMPSA-N 0 0 307.369 2.294 10 30 DEEERN CC[C@@H](C[C@H](C)CO)NC(=O)NCc1ccc(C#N)cc1F ZINC000610402573 361393946 /nfs/dbraw/zinc/39/39/46/361393946.db2.gz SAMRQLIVLJSWTN-FZMZJTMJSA-N 0 0 307.369 2.294 10 30 DEEERN C[C@@H]1CN(C(=O)Cc2cccc(C#N)c2)C[C@@H](C(F)(F)F)O1 ZINC000610522791 361415717 /nfs/dbraw/zinc/41/57/17/361415717.db2.gz PBROEGSGAWTFMG-MFKMUULPSA-N 0 0 312.291 2.279 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1ccc(CN2CCOCC2)cn1 ZINC000628313180 366805919 /nfs/dbraw/zinc/80/59/19/366805919.db2.gz GJCCXOQGYKFQMD-UHFFFAOYSA-N 0 0 317.433 2.246 10 30 DEEERN C=CC(C)(C)CCNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000628318457 366808119 /nfs/dbraw/zinc/80/81/19/366808119.db2.gz FYCGJYIESJUXKI-UHFFFAOYSA-N 0 0 324.446 2.269 10 30 DEEERN C=C(C)[C@H](CC(=O)NCc1c(C(F)(F)F)cnn1C)OCC ZINC000628356054 366825022 /nfs/dbraw/zinc/82/50/22/366825022.db2.gz VPTCGBCHOZUQHV-LBPRGKRZSA-N 0 0 319.327 2.426 10 30 DEEERN C=CCOCC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000610823393 361472629 /nfs/dbraw/zinc/47/26/29/361472629.db2.gz OLBBOLHBLBSYHT-OAHLLOKOSA-N 0 0 305.374 2.246 10 30 DEEERN N#Cc1cccc(CC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000610870497 361482174 /nfs/dbraw/zinc/48/21/74/361482174.db2.gz JBSUENJYXUYTNI-DOTOQJQBSA-N 0 0 316.426 2.272 10 30 DEEERN O=C(NCC#CCOc1cccc2cccnc21)c1ccccn1 ZINC000090743066 192927041 /nfs/dbraw/zinc/92/70/41/192927041.db2.gz WINPQYIYFYDMIZ-UHFFFAOYSA-N 0 0 317.348 2.442 10 30 DEEERN CC(C)[C@@H](O)C1(CNC(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000611434906 361599937 /nfs/dbraw/zinc/59/99/37/361599937.db2.gz BSRGXQNDCXFCEO-OAHLLOKOSA-N 0 0 319.380 2.294 10 30 DEEERN Cc1nc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cs1 ZINC000611554485 361628242 /nfs/dbraw/zinc/62/82/42/361628242.db2.gz RQARVOWVQWEOHM-HNNXBMFYSA-N 0 0 323.418 2.329 10 30 DEEERN C=CCN(c1nnc(-c2cc[nH]n2)n1C[C@@H]1CCCO1)C1CC1 ZINC000611907815 361704076 /nfs/dbraw/zinc/70/40/76/361704076.db2.gz OLQVDGAKECFWAB-ZDUSSCGKSA-N 0 0 314.393 2.002 10 30 DEEERN C=C[C@H](O)C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000611868580 361697708 /nfs/dbraw/zinc/69/77/08/361697708.db2.gz DLZBVXNUKKWAFX-STQMWFEESA-N 0 0 315.291 2.152 10 30 DEEERN C=C[C@@H](NCc1ccc(OC)c(OC(F)F)c1)C(=O)OC ZINC000619700414 363858568 /nfs/dbraw/zinc/85/85/68/363858568.db2.gz WIXYVHGKDHEZQZ-SNVBAGLBSA-N 0 0 301.289 2.114 10 30 DEEERN CC(C)[C@H]1c2ccccc2CCN1C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000619596925 363836319 /nfs/dbraw/zinc/83/63/19/363836319.db2.gz KCTUTQWSGSMJKW-GUYCJALGSA-N 0 0 323.400 2.493 10 30 DEEERN CN(C)c1nc(CNC(=O)NCC2CCC(C#N)CC2)cs1 ZINC000619658755 363850357 /nfs/dbraw/zinc/85/03/57/363850357.db2.gz BUEVLTIGNCZSAT-UHFFFAOYSA-N 0 0 321.450 2.338 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2ccc(C)cn2c1=O ZINC000620314368 364014378 /nfs/dbraw/zinc/01/43/78/364014378.db2.gz CFERWBSYUURKOG-OKILXGFUSA-N 0 0 309.369 2.326 10 30 DEEERN O=C(C#Cc1ccccc1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000130001118 283735140 /nfs/dbraw/zinc/73/51/40/283735140.db2.gz WPNKHGJNAYMYFI-WMZOPIPTSA-N 0 0 322.408 2.040 10 30 DEEERN C=CCNS(=O)(=O)c1cccc(C(=O)NC2CC(C)(C)C2)c1 ZINC000620744984 364139702 /nfs/dbraw/zinc/13/97/02/364139702.db2.gz KWYIBBULGCKFTA-UHFFFAOYSA-N 0 0 322.430 2.069 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CCc2c(cccc2C(N)=O)C1)OCC ZINC000620894827 364190939 /nfs/dbraw/zinc/19/09/39/364190939.db2.gz QTZHIQWIVMSJPK-INIZCTEOSA-N 0 0 316.401 2.042 10 30 DEEERN C=CCCOCCNC(=O)N(C)Cc1c(C)cc(C)nc1OC ZINC000621438836 364401118 /nfs/dbraw/zinc/40/11/18/364401118.db2.gz LFRBSKXIIBXNCF-UHFFFAOYSA-N 0 0 321.421 2.441 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000628485175 366863674 /nfs/dbraw/zinc/86/36/74/366863674.db2.gz DOJVHQVHUHLCTF-ZIAGYGMSSA-N 0 0 302.374 2.053 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CNC(=O)NCc2ccc(F)cc2)C1 ZINC000628484478 366864104 /nfs/dbraw/zinc/86/41/04/366864104.db2.gz NRENJNCBEQTHQO-CQSZACIVSA-N 0 0 319.380 2.050 10 30 DEEERN C=CC[C@H]1CCN(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)C1 ZINC000628484650 366864113 /nfs/dbraw/zinc/86/41/13/366864113.db2.gz RNSHQVXXBOVPPO-AWEZNQCLSA-N 0 0 311.389 2.073 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C[C@@H](NC(N)=O)c2ccccc2)C1 ZINC000628484151 366864249 /nfs/dbraw/zinc/86/42/49/366864249.db2.gz FRQXKJRSGOBIDM-DZGCQCFKSA-N 0 0 301.390 2.211 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)C1 ZINC000628484611 366864256 /nfs/dbraw/zinc/86/42/56/366864256.db2.gz QPCNQEGHNSFCQG-NSHDSACASA-N 0 0 300.358 2.344 10 30 DEEERN C=C(C)CN(CC)C(=O)CS(=O)(=O)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000621998549 364626710 /nfs/dbraw/zinc/62/67/10/364626710.db2.gz ZEVMMFBKEFEMCK-KFWWJZLASA-N 0 0 313.463 2.262 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(OC)cc1OC ZINC000622763863 364791963 /nfs/dbraw/zinc/79/19/63/364791963.db2.gz PHVOGZAYYWANTI-AWEZNQCLSA-N 0 0 306.362 2.113 10 30 DEEERN C=CCN(C(=O)COc1cccc(C(=O)NC)c1)C(C)(C)C ZINC000622945036 364838075 /nfs/dbraw/zinc/83/80/75/364838075.db2.gz PIBWGOXKBUMMKA-UHFFFAOYSA-N 0 0 304.390 2.238 10 30 DEEERN C=CC(C)(C)CCNC(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000623403687 365017441 /nfs/dbraw/zinc/01/74/41/365017441.db2.gz CZFDDFSKNGPNIF-HNNXBMFYSA-N 0 0 311.470 2.245 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC000623855747 365200501 /nfs/dbraw/zinc/20/05/01/365200501.db2.gz HBXMMQNGQXBOHG-RTXFEEFZSA-N 0 0 308.382 2.252 10 30 DEEERN N#CC1(S(=O)(=O)c2cc(Cl)ccc2Cl)CC(O)C1 ZINC000091473174 193061219 /nfs/dbraw/zinc/06/12/19/193061219.db2.gz IFQJYYZSEKWSIC-UHFFFAOYSA-N 0 0 306.170 2.184 10 30 DEEERN CC#CC[C@@H](CO)Nc1nccc(N2Cc3ccccc3C2)n1 ZINC000624337708 365386303 /nfs/dbraw/zinc/38/63/03/365386303.db2.gz OCOZXNTZVFFFKQ-INIZCTEOSA-N 0 0 308.385 2.183 10 30 DEEERN C=CCOc1ccccc1CNC(=O)c1cn(CC2CC2)nn1 ZINC000449856670 241177385 /nfs/dbraw/zinc/17/73/85/241177385.db2.gz PCWVEKFDJWXGFV-UHFFFAOYSA-N 0 0 312.373 2.183 10 30 DEEERN CO[C@@H](CNC(=O)c1ccc(C#N)n1C)c1ccc(F)cc1 ZINC000450005503 241343087 /nfs/dbraw/zinc/34/30/87/241343087.db2.gz PAYQKOXSRHRMFK-HNNXBMFYSA-N 0 0 301.321 2.153 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NC[C@@H]1c2ccccc2C(=O)N1C ZINC000628954525 367025913 /nfs/dbraw/zinc/02/59/13/367025913.db2.gz LTOXVIKBSZVRFD-CRAIPNDOSA-N 0 0 316.401 2.158 10 30 DEEERN C=CCCn1cc(CS(=O)(=O)Cc2ccc(C)c(F)c2)nn1 ZINC000629324494 367164183 /nfs/dbraw/zinc/16/41/83/367164183.db2.gz XDDBRJUZILHMGZ-UHFFFAOYSA-N 0 0 323.393 2.417 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(COC)c(OC)c1 ZINC000629498505 367224609 /nfs/dbraw/zinc/22/46/09/367224609.db2.gz MEABOMKWEJERFP-OAHLLOKOSA-N 0 0 320.389 2.251 10 30 DEEERN C=C(C)C[C@H](C)C(=O)NCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000629428991 367198683 /nfs/dbraw/zinc/19/86/83/367198683.db2.gz DESVNHGMTVOHQA-LBPRGKRZSA-N 0 0 318.373 2.115 10 30 DEEERN CC(=O)c1c[nH]c(C(=O)N2CCc3c(CC#N)cccc3C2)c1 ZINC000629481191 367215984 /nfs/dbraw/zinc/21/59/84/367215984.db2.gz AGDMHIPNAODSRA-UHFFFAOYSA-N 0 0 307.353 2.482 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)Cc1sccc1Br ZINC000450624837 242030707 /nfs/dbraw/zinc/03/07/07/242030707.db2.gz PJRGDYSTBXPESL-SECBINFHSA-N 0 0 318.236 2.354 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(c2cc(OC)c(OC)cc2F)C1=O ZINC000630518226 367702281 /nfs/dbraw/zinc/70/22/81/367702281.db2.gz SNRJIPPUPXECEZ-JTQLQIEISA-N 0 0 308.309 2.234 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2ncc(C3CCOCC3)s2)C1=O ZINC000630522337 367704280 /nfs/dbraw/zinc/70/42/80/367704280.db2.gz PKAPXCLESCNHGC-LLVKDONJSA-N 0 0 321.402 2.428 10 30 DEEERN C=C1CC(C)(C(=O)NCCCS(=O)(=O)Cc2ccccc2)C1 ZINC000630732412 367817011 /nfs/dbraw/zinc/81/70/11/367817011.db2.gz CTDVUSRFCUIZCK-UHFFFAOYSA-N 0 0 321.442 2.464 10 30 DEEERN C=C1CC(C)(C(=O)N[C@H](C)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000630906111 367906294 /nfs/dbraw/zinc/90/62/94/367906294.db2.gz OEEZMJJXZVEGLK-GFCCVEGCSA-N 0 0 322.430 2.128 10 30 DEEERN C=C1CC(C)(C(=O)NCc2cccc(CS(C)(=O)=O)c2)C1 ZINC000630873356 367890846 /nfs/dbraw/zinc/89/08/46/367890846.db2.gz HLFKUPCRTKWWPA-UHFFFAOYSA-N 0 0 307.415 2.204 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccccc2Cn2cccn2)C1=O ZINC000630964911 367939144 /nfs/dbraw/zinc/93/91/44/367939144.db2.gz MGBZFONQMHPGQC-INIZCTEOSA-N 0 0 324.384 2.318 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2CCc3cc(OC)ccc3C2)C1=O ZINC000630973829 367945081 /nfs/dbraw/zinc/94/50/81/367945081.db2.gz FWZJPZJYLDCVBR-GDBMZVCRSA-N 0 0 314.385 2.439 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(C[C@@H](C)Oc2ccccc2OC)C1=O ZINC000630973869 367945254 /nfs/dbraw/zinc/94/52/54/367945254.db2.gz GCQGIVVDLCAPPF-OLZOCXBDSA-N 0 0 318.373 2.349 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2CCOc3cc(OC)ccc32)C1=O ZINC000630976254 367946331 /nfs/dbraw/zinc/94/63/31/367946331.db2.gz NFNCWGKTUNVAMX-ZIAGYGMSSA-N 0 0 316.357 2.405 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H]2CCc3cc(O)ccc3C2)C1=O ZINC000630981045 367948426 /nfs/dbraw/zinc/94/84/26/367948426.db2.gz FBRQPFLRXNZEFC-DZGCQCFKSA-N 0 0 300.358 2.136 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccnc(C(F)(F)F)c2)C1=O ZINC000630980739 367948475 /nfs/dbraw/zinc/94/84/75/367948475.db2.gz BBCJHQUPMCUSNY-SNVBAGLBSA-N 0 0 313.279 2.487 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCc2cc(C)c(O)c(C)c2)C1=O ZINC000630982529 367949316 /nfs/dbraw/zinc/94/93/16/367949316.db2.gz PKMHEJYVVPIUES-AWEZNQCLSA-N 0 0 302.374 2.438 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2COc3cc(F)ccc3C2)C1=O ZINC000630986272 367952003 /nfs/dbraw/zinc/95/20/03/367952003.db2.gz IIIYHBJDVOPCFK-QWHCGFSZSA-N 0 0 304.321 2.016 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275052249 212095884 /nfs/dbraw/zinc/09/58/84/212095884.db2.gz GVPVHCSDWZPURF-MNOVXSKESA-N 0 0 306.328 2.116 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275052248 212095235 /nfs/dbraw/zinc/09/52/35/212095235.db2.gz GVPVHCSDWZPURF-GHMZBOCLSA-N 0 0 306.328 2.116 10 30 DEEERN CCCN[C@@]1(C#N)CCC[C@@H]1CCSCCS(C)(=O)=O ZINC000093581528 193269290 /nfs/dbraw/zinc/26/92/90/193269290.db2.gz BLTNRCCFSNZOMU-ZIAGYGMSSA-N 0 0 318.508 2.216 10 30 DEEERN CCCN[C@]1(C#N)CCC[C@@H]1CCSCCS(C)(=O)=O ZINC000093581527 193269473 /nfs/dbraw/zinc/26/94/73/193269473.db2.gz BLTNRCCFSNZOMU-KGLIPLIRSA-N 0 0 318.508 2.216 10 30 DEEERN N#Cc1ccc2ncc(CN3CC[C@@H](Oc4cccnc4)C3)n2c1 ZINC000093690988 193289972 /nfs/dbraw/zinc/28/99/72/193289972.db2.gz NRZGACGHUCCFCF-QGZVFWFLSA-N 0 0 319.368 2.254 10 30 DEEERN C[C@H](NC(=O)c1csc(C#CCCO)c1)c1cccnc1 ZINC000093973834 193332836 /nfs/dbraw/zinc/33/28/36/193332836.db2.gz FCHSAYPEDNBDMJ-LBPRGKRZSA-N 0 0 300.383 2.368 10 30 DEEERN CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)S1(=O)=O ZINC000094344254 193362629 /nfs/dbraw/zinc/36/26/29/193362629.db2.gz DEKFHFRPVKWQFY-UHFFFAOYSA-N 0 0 318.276 2.032 10 30 DEEERN Cc1cc(C(=O)N[C@@H](C)c2cccnc2)sc1C#CCO ZINC000094533697 193377089 /nfs/dbraw/zinc/37/70/89/193377089.db2.gz CDYAKBRDUWIUBB-LBPRGKRZSA-N 0 0 300.383 2.286 10 30 DEEERN Cc1cc(C(=O)N(C)C[C@@H]2CCCCO2)sc1C#CCO ZINC000094534255 193377517 /nfs/dbraw/zinc/37/75/17/193377517.db2.gz IIFXXRVELTYADT-ZDUSSCGKSA-N 0 0 307.415 2.041 10 30 DEEERN Cc1cc(C(=O)N(C)[C@H]2CCSC2)sc1C#CCCO ZINC000094533786 193377646 /nfs/dbraw/zinc/37/76/46/193377646.db2.gz JKQPHNPOPSQAMV-LBPRGKRZSA-N 0 0 309.456 2.368 10 30 DEEERN Cc1cc(C(=O)N[C@H](C)Cc2ccco2)sc1C#CCO ZINC000094534447 193377654 /nfs/dbraw/zinc/37/76/54/193377654.db2.gz OBHSDNJDNBVRBA-GFCCVEGCSA-N 0 0 303.383 2.354 10 30 DEEERN Cc1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)sc1C#CCCO ZINC000094533727 193377662 /nfs/dbraw/zinc/37/76/62/193377662.db2.gz RFKCQZAMMJGPHK-OLZOCXBDSA-N 0 0 307.415 2.088 10 30 DEEERN COc1ccc(F)c(NC(=O)c2sccc2C#CCO)c1 ZINC000094856536 193403467 /nfs/dbraw/zinc/40/34/67/193403467.db2.gz ASQZPDOUNTVXOK-UHFFFAOYSA-N 0 0 305.330 2.492 10 30 DEEERN N#Cc1nccn1CC(=O)Nc1ccc(Br)cc1 ZINC000094728146 193394270 /nfs/dbraw/zinc/39/42/70/193394270.db2.gz YOFAVSZFBRLMEX-UHFFFAOYSA-N 0 0 305.135 2.156 10 30 DEEERN C=C(C)CN(CC)c1nnc(-c2nnn(C)c2C)n1CC(C)C ZINC000453523438 245173364 /nfs/dbraw/zinc/17/33/64/245173364.db2.gz SQRBLPPBOITFJI-UHFFFAOYSA-N 0 0 317.441 2.440 10 30 DEEERN Cc1nc(NC(=O)C(=O)N[C@H]2CCC23CCCC3)ccc1C#N ZINC000453716206 245263176 /nfs/dbraw/zinc/26/31/76/245263176.db2.gz ATGQBWAVSMXCIW-ZDUSSCGKSA-N 0 0 312.373 2.039 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@H](CC)[C@@H](C)O ZINC000453934983 245361747 /nfs/dbraw/zinc/36/17/47/245361747.db2.gz CWKZNYMLAAIVED-TZMCWYRMSA-N 0 0 304.390 2.019 10 30 DEEERN COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000155566439 284295044 /nfs/dbraw/zinc/29/50/44/284295044.db2.gz FRZDBECPQPHPLO-ZACQAIPSSA-N 0 0 314.385 2.273 10 30 DEEERN COc1cc(/C=N/NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)ccc1O ZINC000013657696 181874950 /nfs/dbraw/zinc/87/49/50/181874950.db2.gz GOOGNNJDJPBQBT-XLGRXJDZSA-N 0 0 319.430 2.387 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)NC[C@@H]1CCC[C@H]1O ZINC000266402611 205320788 /nfs/dbraw/zinc/32/07/88/205320788.db2.gz MRDHAIWPYYVRKX-SMDDNHRTSA-N 0 0 306.337 2.120 10 30 DEEERN N#Cc1ccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000160875533 197445969 /nfs/dbraw/zinc/44/59/69/197445969.db2.gz SKHFWDBOTOPLNT-WMZOPIPTSA-N 0 0 313.401 2.395 10 30 DEEERN C=CCn1c(SCC(=O)N(CC)CC)nnc1C(F)(F)F ZINC000020839663 182248841 /nfs/dbraw/zinc/24/88/41/182248841.db2.gz HEXITHGDCFQDFD-UHFFFAOYSA-N 0 0 322.356 2.443 10 30 DEEERN C#CCCN1CCN(C(=O)CCCc2ccc(F)c(F)c2)CC1 ZINC000267954983 206359438 /nfs/dbraw/zinc/35/94/38/206359438.db2.gz INTKWVFAXYLCRN-UHFFFAOYSA-N 0 0 320.383 2.455 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)N[C@H](CC)c1c(C)nn(C)c1C ZINC000458463041 248322348 /nfs/dbraw/zinc/32/23/48/248322348.db2.gz AETLENFDPQKMKL-UONOGXRCSA-N 0 0 308.426 2.114 10 30 DEEERN C=C(C)COCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000458552763 248369604 /nfs/dbraw/zinc/36/96/04/248369604.db2.gz CQSLMOKHJPHERF-BZUAXINKSA-N 0 0 310.438 2.304 10 30 DEEERN N#CCOc1ccc(NS(=O)(=O)c2ccnc(Cl)c2)cc1 ZINC000040801017 183135333 /nfs/dbraw/zinc/13/53/33/183135333.db2.gz AFABOILIXUVGAO-UHFFFAOYSA-N 0 0 323.761 2.438 10 30 DEEERN N#C[C@@H](c1cccs1)N1CCN(C(=O)c2ccncc2)CC1 ZINC000041257381 183181388 /nfs/dbraw/zinc/18/13/88/183181388.db2.gz PAPSSVMYIZXOPI-AWEZNQCLSA-N 0 0 312.398 2.166 10 30 DEEERN C[C@@H](C#N)Oc1c(N)cc(C#N)cc1I ZINC000043513263 183369334 /nfs/dbraw/zinc/36/93/34/183369334.db2.gz CCWRBTZFHBXJLU-LURJTMIESA-N 0 0 313.098 2.036 10 30 DEEERN CCOc1cccc(/C=N/NS(=O)(=O)c2ccccc2)c1 ZINC000043912149 183389201 /nfs/dbraw/zinc/38/92/01/183389201.db2.gz WLPVCXCJMXKUKR-FOWTUZBSSA-N 0 0 304.371 2.398 10 30 DEEERN Cc1cccnc1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000104753287 194035120 /nfs/dbraw/zinc/03/51/20/194035120.db2.gz YOIQOCRZPSIIMU-UHFFFAOYSA-N 0 0 321.789 2.394 10 30 DEEERN C=CCNc1ncc(C(=O)NCc2c(C)cc(C)[nH]c2=O)s1 ZINC000268668208 206881822 /nfs/dbraw/zinc/88/18/22/206881822.db2.gz WJYDAUUCJGRDRO-UHFFFAOYSA-N 0 0 318.402 2.388 10 30 DEEERN CCC[C@H](CC)NS(=O)(=O)c1ccc(C#CCCO)cc1 ZINC000050398612 183785163 /nfs/dbraw/zinc/78/51/63/183785163.db2.gz XKQHTNVAVWORQH-HNNXBMFYSA-N 0 0 309.431 2.278 10 30 DEEERN C[C@H](C#N)N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000109453502 194264358 /nfs/dbraw/zinc/26/43/58/194264358.db2.gz WIPYLABCQDFGPX-LLVKDONJSA-N 0 0 308.769 2.278 10 30 DEEERN C=CC[C@H](CO)NC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000273519282 210838239 /nfs/dbraw/zinc/83/82/39/210838239.db2.gz TYEKHPJBKBQWFC-SNVBAGLBSA-N 0 0 320.336 2.246 10 30 DEEERN CC[C@@H](CC#N)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000054178718 183928262 /nfs/dbraw/zinc/92/82/62/183928262.db2.gz AJDFBYZNDCBIDC-QMMMGPOBSA-N 0 0 317.754 2.219 10 30 DEEERN CC(C)N[C@@](C)(C#N)CCCCSCCS(C)(=O)=O ZINC000111006638 194381420 /nfs/dbraw/zinc/38/14/20/194381420.db2.gz WYGRJZPPAUXEIK-CYBMUJFWSA-N 0 0 306.497 2.215 10 30 DEEERN N/C(C[C@@H](c1ccccc1)n1cc(Br)cn1)=N\O ZINC000055021824 183958537 /nfs/dbraw/zinc/95/85/37/183958537.db2.gz VMRKIXWEDUXYPV-NSHDSACASA-N 0 0 309.167 2.372 10 30 DEEERN C#CCOC[C@@H]1CCCN(C(=O)c2cccc(OC)c2OC)C1 ZINC000056923037 184021708 /nfs/dbraw/zinc/02/17/08/184021708.db2.gz OEWUPCMCKVKVJU-CQSZACIVSA-N 0 0 317.385 2.206 10 30 DEEERN C[C@H](NC(=O)c1ccc(C#CCCO)cn1)c1cccs1 ZINC000061861124 184190190 /nfs/dbraw/zinc/19/01/90/184190190.db2.gz DKPCJOGXJOYXKN-LBPRGKRZSA-N 0 0 300.383 2.368 10 30 DEEERN CC(C)N[C@](C)(C#N)CSc1ccc(S(C)(=O)=O)cc1 ZINC000063131807 184272243 /nfs/dbraw/zinc/27/22/43/184272243.db2.gz FURAYHMEUGBKCZ-CQSZACIVSA-N 0 0 312.460 2.462 10 30 DEEERN Cc1ccc(C#N)cc1NC(=O)Cn1cnc2ccccc2c1=O ZINC000063960749 184290847 /nfs/dbraw/zinc/29/08/47/184290847.db2.gz BQBTUOGSJZOJCC-UHFFFAOYSA-N 0 0 318.336 2.215 10 30 DEEERN C=C(C)CN(CC)C(=O)CNc1ccc(S(C)(=O)=O)cc1C ZINC000114452896 194659158 /nfs/dbraw/zinc/65/91/58/194659158.db2.gz SYDCTMKZZFTHSM-UHFFFAOYSA-N 0 0 324.446 2.235 10 30 DEEERN Cc1ccc(C(=O)N2CCSC[C@@H]2C)c(C#CCCO)c1 ZINC000161315633 197484273 /nfs/dbraw/zinc/48/42/73/197484273.db2.gz NBLLWNGBJDJGLY-AWEZNQCLSA-N 0 0 303.427 2.306 10 30 DEEERN N#C[C@H](NC(=O)C1(c2ccc(F)cc2F)CCOCC1)C1CC1 ZINC000161882483 197526079 /nfs/dbraw/zinc/52/60/79/197526079.db2.gz SHUOXCBZTPHRSR-HNNXBMFYSA-N 0 0 320.339 2.431 10 30 DEEERN C=C(C)[C@@H](CC(=O)NC[C@H](O)c1ccccc1OC)OCC ZINC000270174520 208238355 /nfs/dbraw/zinc/23/83/55/208238355.db2.gz DGDHWVXJCRTMJW-GOEBONIOSA-N 0 0 307.390 2.216 10 30 DEEERN CC[C@H](C#N)S(=O)(=O)Nc1cc(N)ccc1Br ZINC000159285144 197341886 /nfs/dbraw/zinc/34/18/86/197341886.db2.gz RIOISLJDVUMSJE-MRVPVSSYSA-N 0 0 318.196 2.075 10 30 DEEERN C#CCn1ncc(NC[C@H](C)C2CC2)c(Br)c1=O ZINC000158601608 197286889 /nfs/dbraw/zinc/28/68/89/197286889.db2.gz JYXLWLVTKNGONL-VIFPVBQESA-N 0 0 310.195 2.097 10 30 DEEERN Cc1cnn(Cc2cc(C(=O)Nc3cccc(C#N)c3)no2)c1 ZINC000158058042 197240139 /nfs/dbraw/zinc/24/01/39/197240139.db2.gz SPSOBYVKGDYRBY-UHFFFAOYSA-N 0 0 307.313 2.352 10 30 DEEERN CC(C)(C)c1ccc([C@@H](O)[C@]2(C#N)CCS(=O)(=O)C2)cc1 ZINC000157639493 197203537 /nfs/dbraw/zinc/20/35/37/197203537.db2.gz AGQGKXRZWZQANL-ZBFHGGJFSA-N 0 0 307.415 2.346 10 30 DEEERN C[C@H]1SCCN(CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1C ZINC000156765543 197139428 /nfs/dbraw/zinc/13/94/28/197139428.db2.gz KBTKMKXVSVFXKT-CHWSQXEVSA-N 0 0 324.471 2.158 10 30 DEEERN O=C(NC[C@H]1CCCCS1)c1cccc(C#CCCO)c1 ZINC000156562081 197123978 /nfs/dbraw/zinc/12/39/78/197123978.db2.gz YOSNCYSVYPSLRP-MRXNPFEDSA-N 0 0 303.427 2.436 10 30 DEEERN CNC(=O)COc1ccc(NC(=O)c2ccc(C#N)cc2C)cc1 ZINC000120884020 195256876 /nfs/dbraw/zinc/25/68/76/195256876.db2.gz PXCGQEZLJFDHRN-UHFFFAOYSA-N 0 0 323.352 2.244 10 30 DEEERN N#CCN1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC000096074691 257135422 /nfs/dbraw/zinc/13/54/22/257135422.db2.gz GOVMQHOLSSKMCK-UHFFFAOYSA-N 0 0 303.381 2.016 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000121659727 195325171 /nfs/dbraw/zinc/32/51/71/195325171.db2.gz WKNBNPIQVUJIGP-UHFFFAOYSA-N 0 0 300.280 2.467 10 30 DEEERN CN(C(=O)c1cccc(C#N)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122082854 195398177 /nfs/dbraw/zinc/39/81/77/195398177.db2.gz MHABJGHYFRYDFC-MRXNPFEDSA-N 0 0 321.384 2.089 10 30 DEEERN C[C@]1(CNC(=O)c2cc(F)ccc2C#CCO)CCCS1 ZINC000124568418 195655629 /nfs/dbraw/zinc/65/56/29/195655629.db2.gz YGIHJMXOPUZQCU-MRXNPFEDSA-N 0 0 307.390 2.185 10 30 DEEERN C/C=C/C[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)C(=O)OCC ZINC000450917230 533452724 /nfs/dbraw/zinc/45/27/24/533452724.db2.gz SQPYANFFQRPWQX-GZZOKXEQSA-N 0 0 304.390 2.475 10 30 DEEERN COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1sccc1C#N ZINC000357681985 133093456 /nfs/dbraw/zinc/09/34/56/133093456.db2.gz OPEMHBUSZPGFKO-IAQYHMDHSA-N 0 0 306.387 2.471 10 30 DEEERN CC(=O)N(C)c1ccc(C(=O)Nc2n[nH]c(C3CC3)c2C#N)cc1 ZINC000359723038 133141013 /nfs/dbraw/zinc/14/10/13/133141013.db2.gz GWYCVDRQJKNUQF-UHFFFAOYSA-N 0 0 323.356 2.394 10 30 DEEERN C=CCOc1ccc(C(=O)N(C[C@@H]2CCC(=O)N2)C(C)C)cc1 ZINC000414013249 404476516 /nfs/dbraw/zinc/47/65/16/404476516.db2.gz IGIYNOMXXCYCFE-HNNXBMFYSA-N 0 0 316.401 2.381 10 30 DEEERN CCOC(=O)c1sc([C@H](C)Nc2cnc(C#N)cn2)nc1C ZINC000126915692 144732001 /nfs/dbraw/zinc/73/20/01/144732001.db2.gz VULGJJYGJTTWSP-VIFPVBQESA-N 0 0 317.374 2.463 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000178636772 144862206 /nfs/dbraw/zinc/86/22/06/144862206.db2.gz FQJYQJNEHPPPPL-UHFFFAOYSA-N 0 0 317.352 2.377 10 30 DEEERN CO[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CC[C@H]1C ZINC000187577092 145000629 /nfs/dbraw/zinc/00/06/29/145000629.db2.gz JQDLILCHWWTWIM-CJNGLKHVSA-N 0 0 317.389 2.003 10 30 DEEERN N#Cc1ccc(C2(C(=O)N[C@H]3Cc4ccccc4[C@H]3O)CC2)cc1 ZINC000188792101 145017567 /nfs/dbraw/zinc/01/75/67/145017567.db2.gz MTXXHEDYYFNBLE-ZWKOTPCHSA-N 0 0 318.376 2.364 10 30 DEEERN CCn1cc([C@H]2CN(Cc3ccc(C#N)c(F)c3)CCO2)cn1 ZINC000190797291 145048081 /nfs/dbraw/zinc/04/80/81/145048081.db2.gz YBYZZBNCRFWQEF-QGZVFWFLSA-N 0 0 314.364 2.487 10 30 DEEERN N#Cc1cc(C(=O)Nc2cccc(Cl)c2-n2cncn2)ccn1 ZINC000192623570 145076609 /nfs/dbraw/zinc/07/66/09/145076609.db2.gz RXZWFSHZGQQROD-UHFFFAOYSA-N 0 0 324.731 2.440 10 30 DEEERN Cn1cc(-c2nnc(NCc3c(F)cc(C#N)cc3F)o2)cn1 ZINC000192758668 145078250 /nfs/dbraw/zinc/07/82/50/145078250.db2.gz FWNZWFWZPCYVGH-UHFFFAOYSA-N 0 0 316.271 2.232 10 30 DEEERN N#Cc1cc(C(=O)NCc2ccccc2-n2cccn2)ccn1 ZINC000192963532 145081128 /nfs/dbraw/zinc/08/11/28/145081128.db2.gz ILSAIPCXYDQBHP-UHFFFAOYSA-N 0 0 303.325 2.069 10 30 DEEERN C[C@H](NC(=O)c1ccnc(C#N)c1)c1noc(-c2ccccc2)n1 ZINC000193542642 145087040 /nfs/dbraw/zinc/08/70/40/145087040.db2.gz FLURUFVWXWRUDD-NSHDSACASA-N 0 0 319.324 2.494 10 30 DEEERN COC(=O)[C@@H](NC(=O)c1ccnc(C#N)c1)c1cc(C)cc(C)c1 ZINC000193846291 145090764 /nfs/dbraw/zinc/09/07/64/145090764.db2.gz XHDZUSMQEVSFAR-INIZCTEOSA-N 0 0 323.352 2.214 10 30 DEEERN COC(=O)[C@H](NC(=O)c1ccnc(C#N)c1)c1cc(C)cc(C)c1 ZINC000193846310 145090960 /nfs/dbraw/zinc/09/09/60/145090960.db2.gz XHDZUSMQEVSFAR-MRXNPFEDSA-N 0 0 323.352 2.214 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000247279184 145131213 /nfs/dbraw/zinc/13/12/13/145131213.db2.gz SQBXEIHGKXMMMW-KSZJFAHPSA-N 0 0 314.385 2.255 10 30 DEEERN CC(=O)c1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1Cl ZINC000337027410 145409043 /nfs/dbraw/zinc/40/90/43/145409043.db2.gz BTVBWQLQUVIZOY-MRVPVSSYSA-N 0 0 317.736 2.205 10 30 DEEERN N#Cc1ccnc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)c1 ZINC000348254901 146242041 /nfs/dbraw/zinc/24/20/41/146242041.db2.gz GFXWSIUTJJNUEU-ZBFHGGJFSA-N 0 0 311.316 2.040 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](CO)C1CC1 ZINC000358342569 147116580 /nfs/dbraw/zinc/11/65/80/147116580.db2.gz SIKPTFSHXKIJSF-DOTOQJQBSA-N 0 0 316.401 2.096 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)c1ccn(C)n1 ZINC000358477411 147141340 /nfs/dbraw/zinc/14/13/40/147141340.db2.gz QGVPVWXDEXCZTE-MRXNPFEDSA-N 0 0 312.373 2.358 10 30 DEEERN N#Cc1ccc(S(=O)(=O)N2CCCCCO2)c(Cl)c1 ZINC000408284761 148584390 /nfs/dbraw/zinc/58/43/90/148584390.db2.gz ASNZPTPZVAKZKW-UHFFFAOYSA-N 0 0 300.767 2.318 10 30 DEEERN Cc1cnc2c(c1)N(C(=O)[C@@H](C)Oc1ccccc1C#N)CCO2 ZINC000127257501 401726322 /nfs/dbraw/zinc/72/63/22/401726322.db2.gz OLZABDIKXLODNT-CYBMUJFWSA-N 0 0 323.352 2.455 10 30 DEEERN C#CCOCCC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000127513485 401738152 /nfs/dbraw/zinc/73/81/52/401738152.db2.gz PPMGSZFCHVWIPW-UHFFFAOYSA-N 0 0 316.332 2.179 10 30 DEEERN N#CCCCCS(=O)(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000127525833 401738848 /nfs/dbraw/zinc/73/88/48/401738848.db2.gz ZZEIVFNLDRUMIQ-ZDUSSCGKSA-N 0 0 314.432 2.145 10 30 DEEERN C#CCOCCC(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000129120248 401798907 /nfs/dbraw/zinc/79/89/07/401798907.db2.gz PNQLVRBBESWGGL-MRXNPFEDSA-N 0 0 305.349 2.074 10 30 DEEERN N#CCCCCS(=O)(=O)N1CCO[C@H](c2cccs2)C1 ZINC000127862952 401753314 /nfs/dbraw/zinc/75/33/14/401753314.db2.gz GDIJOPDBGNPMAV-LBPRGKRZSA-N 0 0 314.432 2.145 10 30 DEEERN N#Cc1cccc(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000127951784 401757274 /nfs/dbraw/zinc/75/72/74/401757274.db2.gz NIQYXANCPDYWRN-CRAIPNDOSA-N 0 0 313.401 2.124 10 30 DEEERN COCCc1cc(NC(=O)N(CCC#N)CCC(C)C)n(C)n1 ZINC000127998522 401758747 /nfs/dbraw/zinc/75/87/47/401758747.db2.gz NRLSJHAVBNLDHK-UHFFFAOYSA-N 0 0 321.425 2.403 10 30 DEEERN C=CCNc1ncc(C(=O)N2CCC[C@H]2c2cnn(C)c2)s1 ZINC000128639913 401786201 /nfs/dbraw/zinc/78/62/01/401786201.db2.gz SLAVWCURFULBLW-LBPRGKRZSA-N 0 0 317.418 2.452 10 30 DEEERN CN1C(=O)C[C@H](C(=O)Nc2cccc(C#N)c2)[C@H]1c1cccnc1 ZINC000114113289 401792229 /nfs/dbraw/zinc/79/22/29/401792229.db2.gz IFKDAOVEWAOJIW-DOTOQJQBSA-N 0 0 320.352 2.111 10 30 DEEERN N#CC1(NC(=O)COc2ccc(Cl)c3cccnc23)CC1 ZINC000115152643 401820121 /nfs/dbraw/zinc/82/01/21/401820121.db2.gz HMOPSNPIYQJQDS-UHFFFAOYSA-N 0 0 301.733 2.439 10 30 DEEERN C#CCOCCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000130150756 401820670 /nfs/dbraw/zinc/82/06/70/401820670.db2.gz KLNVXZMYIPYSRL-AWEZNQCLSA-N 0 0 301.342 2.119 10 30 DEEERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1 ZINC000115171088 401820723 /nfs/dbraw/zinc/82/07/23/401820723.db2.gz AXQLISWBPVTWBL-HNNXBMFYSA-N 0 0 314.389 2.423 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000077860981 401835225 /nfs/dbraw/zinc/83/52/25/401835225.db2.gz OJQJWFIEEDNQSP-UHFFFAOYSA-N 0 0 304.394 2.137 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000077860987 401835512 /nfs/dbraw/zinc/83/55/12/401835512.db2.gz NINUZBQMWVYRNF-UHFFFAOYSA-N 0 0 320.437 2.372 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000078122477 401841321 /nfs/dbraw/zinc/84/13/21/401841321.db2.gz BPRMLAPYMHZYNK-OAHLLOKOSA-N 0 0 309.454 2.489 10 30 DEEERN COc1ccc(CN2CCOC[C@@H]2c2cccn2C)cc1C#N ZINC000131613467 401853464 /nfs/dbraw/zinc/85/34/64/401853464.db2.gz LNRDFGHFRNKAEJ-QGZVFWFLSA-N 0 0 311.385 2.479 10 30 DEEERN C=CC[C@@H](C)NC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000116855152 401861849 /nfs/dbraw/zinc/86/18/49/401861849.db2.gz YSKFDDPGDBQMCV-PWSUYJOCSA-N 0 0 308.328 2.399 10 30 DEEERN C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000117074403 401867640 /nfs/dbraw/zinc/86/76/40/401867640.db2.gz OLKLXBCVYSMBIF-JTQLQIEISA-N 0 0 314.345 2.064 10 30 DEEERN C=C(C)COCCNC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000135027109 401924468 /nfs/dbraw/zinc/92/44/68/401924468.db2.gz FMIKMVZNZICCQH-ZDUSSCGKSA-N 0 0 310.419 2.424 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000135024545 401924487 /nfs/dbraw/zinc/92/44/87/401924487.db2.gz VOPFQBCUIORSTR-HKUYNNGSSA-N 0 0 316.445 2.467 10 30 DEEERN C=C[C@](C)(CC)C(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000135036127 401925056 /nfs/dbraw/zinc/92/50/56/401925056.db2.gz ZLEGBUDXZQNZJP-NVXWUHKLSA-N 0 0 305.422 2.330 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000081029910 401893970 /nfs/dbraw/zinc/89/39/70/401893970.db2.gz HTIZGUJMCZTGRL-UHFFFAOYSA-N 0 0 323.400 2.212 10 30 DEEERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(C#N)cs1 ZINC000084113809 401902534 /nfs/dbraw/zinc/90/25/34/401902534.db2.gz IRKHUIQPBJDRQK-VIFPVBQESA-N 0 0 302.403 2.331 10 30 DEEERN C[C@@H](O)CCNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000118721203 401905291 /nfs/dbraw/zinc/90/52/91/401905291.db2.gz BFFALXMQWVORES-GFCCVEGCSA-N 0 0 314.341 2.231 10 30 DEEERN C=CCOCC(=O)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000344995702 404489857 /nfs/dbraw/zinc/48/98/57/404489857.db2.gz PYUJVJUSEBKZKY-AWEZNQCLSA-N 0 0 312.373 2.338 10 30 DEEERN C=CCOc1cccc(NC(=O)NC[C@]2(CCO)CCOC2)c1 ZINC000137206307 401980670 /nfs/dbraw/zinc/98/06/70/401980670.db2.gz OSRIITNAYCQOOF-KRWDZBQOSA-N 0 0 320.389 2.162 10 30 DEEERN Cc1cccn2c1ncc(C(=O)Nc1cccc(C#N)c1)c2=O ZINC000090989889 401990358 /nfs/dbraw/zinc/99/03/58/401990358.db2.gz QOKUMBZZBQFIKH-UHFFFAOYSA-N 0 0 304.309 2.127 10 30 DEEERN COC[C@@H](NC(=O)c1cc(C#N)cn1C)c1ccc(F)c(F)c1 ZINC000091047146 401991196 /nfs/dbraw/zinc/99/11/96/401991196.db2.gz XVYBPOSLAYLVEV-CQSZACIVSA-N 0 0 319.311 2.292 10 30 DEEERN Cn1ccnc1-c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1 ZINC000119330711 401941454 /nfs/dbraw/zinc/94/14/54/401941454.db2.gz ROABGBLPLDOKEU-UHFFFAOYSA-N 0 0 320.356 2.253 10 30 DEEERN CC(C)[C@](C)(C#N)NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000151463992 402037966 /nfs/dbraw/zinc/03/79/66/402037966.db2.gz MVULWRNZBHPRSA-WBMJQRKESA-N 0 0 309.410 2.298 10 30 DEEERN COc1ccc([C@@H](C)NS(=O)(=O)CC2(C#N)CC2)cc1F ZINC000121510313 402040699 /nfs/dbraw/zinc/04/06/99/402040699.db2.gz WFVCTGNNLJJFPG-SNVBAGLBSA-N 0 0 312.366 2.118 10 30 DEEERN C=C(C)COCCNC(=O)N1CCC[C@@H](n2ccnc2CC)C1 ZINC000151568602 402043623 /nfs/dbraw/zinc/04/36/23/402043623.db2.gz CZKDLVZUEHNTEB-OAHLLOKOSA-N 0 0 320.437 2.385 10 30 DEEERN C=C(C)COCCNC(=O)N1CCC[C@H](n2ccnc2CC)C1 ZINC000151568680 402043760 /nfs/dbraw/zinc/04/37/60/402043760.db2.gz CZKDLVZUEHNTEB-HNNXBMFYSA-N 0 0 320.437 2.385 10 30 DEEERN C=CCNC(=O)[C@@H]1CCN(c2cccc(C(F)(F)F)c2)C1=O ZINC000096280898 402076151 /nfs/dbraw/zinc/07/61/51/402076151.db2.gz IZFMHJFVEWITFD-LBPRGKRZSA-N 0 0 312.291 2.361 10 30 DEEERN C[C@@H](NC(=O)c1cc(C#N)cn1C)c1noc(-c2ccccc2)n1 ZINC000152196726 402081727 /nfs/dbraw/zinc/08/17/27/402081727.db2.gz KKOPPJLEFDRTSG-LLVKDONJSA-N 0 0 321.340 2.438 10 30 DEEERN C#CCOCCC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000152674958 402103429 /nfs/dbraw/zinc/10/34/29/402103429.db2.gz HEFXXMGZJWXEGV-ZBFHGGJFSA-N 0 0 301.386 2.440 10 30 DEEERN C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)OC(C)(C)C ZINC000152875730 402113792 /nfs/dbraw/zinc/11/37/92/402113792.db2.gz IYGZNROOICDDFQ-VXGBXAGGSA-N 0 0 318.373 2.172 10 30 DEEERN COc1ccc(COc2c(OC)cccc2C(N)=O)cc1C#N ZINC000152885855 402114566 /nfs/dbraw/zinc/11/45/66/402114566.db2.gz HHETXVDSDCKJTD-UHFFFAOYSA-N 0 0 312.325 2.253 10 30 DEEERN C=CC1CCN(S(=O)(=O)c2ccc(C)cc2C(=O)OC)CC1 ZINC000152921908 402117023 /nfs/dbraw/zinc/11/70/23/402117023.db2.gz CJJRAPIBTCGGBR-UHFFFAOYSA-N 0 0 323.414 2.368 10 30 DEEERN CCc1[nH]n(C)c2nnc(NC(=O)c3ccc(C#N)cc3C)c1-2 ZINC000123463784 402129191 /nfs/dbraw/zinc/12/91/91/402129191.db2.gz LPXMQNDZHZNBIA-UHFFFAOYSA-N 0 0 308.345 2.291 10 30 DEEERN C[C@@H](C(=O)NCCOc1ccc(C#N)cc1)C1CCOCC1 ZINC000153573616 402153950 /nfs/dbraw/zinc/15/39/50/402153950.db2.gz BOOFSJWPFGYPKG-CYBMUJFWSA-N 0 0 302.374 2.116 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000153913283 402180119 /nfs/dbraw/zinc/18/01/19/402180119.db2.gz LOKSBEBXWXUSOI-UONOGXRCSA-N 0 0 314.389 2.426 10 30 DEEERN C#CCCCCNC(=O)[C@H]1CCC[C@@H]1C(=O)NCCCCC#C ZINC000154225251 402200131 /nfs/dbraw/zinc/20/01/31/402200131.db2.gz IMZYPVSQTYLBEX-IRXDYDNUSA-N 0 0 316.445 2.242 10 30 DEEERN Cc1ccc(N(CCC#N)C(=O)Cn2ccnc2C#N)cc1C ZINC000124027719 402160466 /nfs/dbraw/zinc/16/04/66/402160466.db2.gz UVEDFRKWPXPNKZ-UHFFFAOYSA-N 0 0 307.357 2.319 10 30 DEEERN C=C(C)CN(CC)C(=O)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000154629143 402222160 /nfs/dbraw/zinc/22/21/60/402222160.db2.gz KMXWXYVKLGCDJH-UHFFFAOYSA-N 0 0 301.346 2.499 10 30 DEEERN N#C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000108831993 402262663 /nfs/dbraw/zinc/26/26/63/402262663.db2.gz KWQHTYLWINEJHQ-CYBMUJFWSA-N 0 0 300.318 2.201 10 30 DEEERN C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccnn1C ZINC000068884576 402208685 /nfs/dbraw/zinc/20/86/85/402208685.db2.gz NFVGRBDTDXXOJJ-UHFFFAOYSA-N 0 0 309.373 2.190 10 30 DEEERN N#C[C@@H](NC(=O)COc1ccc(Br)cc1)C1CC1 ZINC000108843776 402263221 /nfs/dbraw/zinc/26/32/21/402263221.db2.gz ZLFJDSNYAAQJTI-GFCCVEGCSA-N 0 0 309.163 2.246 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCc1ccco1 ZINC000185124513 402326430 /nfs/dbraw/zinc/32/64/30/402326430.db2.gz QEKXZSCJCAINJZ-HIFRSBDPSA-N 0 0 304.390 2.489 10 30 DEEERN C=CCCCN(C)C(=O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000155730473 402265932 /nfs/dbraw/zinc/26/59/32/402265932.db2.gz NBYRHOIBZKLFEL-UHFFFAOYSA-N 0 0 315.348 2.410 10 30 DEEERN CC(=O)Nc1cc(NC(=O)c2cc(C#N)cn2C)ccc1F ZINC000176628612 402324525 /nfs/dbraw/zinc/32/45/25/402324525.db2.gz MTFNDIGMZVOAGV-UHFFFAOYSA-N 0 0 300.293 2.247 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(OC)c2ncccc12 ZINC000184627574 402286292 /nfs/dbraw/zinc/28/62/92/402286292.db2.gz QGYPRIMZSCWGCW-NSHDSACASA-N 0 0 301.346 2.302 10 30 DEEERN C=CCOc1ccc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000156993740 402290867 /nfs/dbraw/zinc/29/08/67/402290867.db2.gz MRCFKAZZKIWHJP-INIZCTEOSA-N 0 0 321.442 2.403 10 30 DEEERN CCN(CCc1nccs1)CC(=O)N(CC)C[C@@H](C)C#N ZINC000159149260 402318530 /nfs/dbraw/zinc/31/85/30/402318530.db2.gz TZUAGEISEGAVMF-ZDUSSCGKSA-N 0 0 308.451 2.016 10 30 DEEERN C[C@H](CN(Cc1ccc(C#N)cc1)C1CC1)CS(C)(=O)=O ZINC000176973010 402355910 /nfs/dbraw/zinc/35/59/10/402355910.db2.gz MTFMUYMGNMRERU-CYBMUJFWSA-N 0 0 306.431 2.203 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1nc(-c2cccs2)oc1C ZINC000185749410 402373640 /nfs/dbraw/zinc/37/36/40/402373640.db2.gz ZWSNGKWZKBQCOP-LLVKDONJSA-N 0 0 306.387 2.307 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1c(F)cc(Br)cc1F ZINC000185770004 402375283 /nfs/dbraw/zinc/37/52/83/402375283.db2.gz WAQGEHOVYGVBBY-QMMMGPOBSA-N 0 0 320.133 2.394 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCC(C)(C)c1ccc(OC)cc1 ZINC000185794086 402377899 /nfs/dbraw/zinc/37/78/99/402377899.db2.gz USVAQGYRBNSSJZ-CQSZACIVSA-N 0 0 306.406 2.209 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1c[nH]nc1-c1c(F)cccc1F ZINC000185808959 402378916 /nfs/dbraw/zinc/37/89/16/402378916.db2.gz GAFMGXIMLFQXNG-SECBINFHSA-N 0 0 307.300 2.022 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000177402256 402399111 /nfs/dbraw/zinc/39/91/11/402399111.db2.gz DAAXMKZXCFRFOT-DZGCQCFKSA-N 0 0 303.406 2.468 10 30 DEEERN N#CCC(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000186119367 402403150 /nfs/dbraw/zinc/40/31/50/402403150.db2.gz DYMMJPOHNHYHHE-UHFFFAOYSA-N 0 0 323.190 2.485 10 30 DEEERN C#CCOc1ccc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000178352924 402487918 /nfs/dbraw/zinc/48/79/18/402487918.db2.gz PNRKKFDLDLPRIX-ROUUACIJSA-N 0 0 307.349 2.087 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)NCc1nc(-c2ccncc2)no1 ZINC000178576635 402513825 /nfs/dbraw/zinc/51/38/25/402513825.db2.gz QWSNZCLJZAMAER-UHFFFAOYSA-N 0 0 319.324 2.242 10 30 DEEERN CO[C@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)CC[C@H]1C ZINC000187484370 402502800 /nfs/dbraw/zinc/50/28/00/402502800.db2.gz ZKPDQBMOUHIRQA-CJNGLKHVSA-N 0 0 317.389 2.155 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000187563122 402505053 /nfs/dbraw/zinc/50/50/53/402505053.db2.gz VGYZXFRCKZHUAB-YUELXQCFSA-N 0 0 309.431 2.264 10 30 DEEERN CNC(=O)[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)C(C)C ZINC000178821430 402543884 /nfs/dbraw/zinc/54/38/84/402543884.db2.gz MQXCRKDVDAJDJX-CYBMUJFWSA-N 0 0 319.409 2.007 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1CSCN1C(=O)CCC ZINC000170764164 402522262 /nfs/dbraw/zinc/52/22/62/402522262.db2.gz HRSUFGJDWLLYTQ-SNVBAGLBSA-N 0 0 324.368 2.265 10 30 DEEERN CC1(C)CC[C@@H](CNC(=O)NCc2ccc(C#N)cc2F)O1 ZINC000188684237 402523740 /nfs/dbraw/zinc/52/37/40/402523740.db2.gz ODWTVMGBJWGVLY-ZDUSSCGKSA-N 0 0 305.353 2.454 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000188742383 402525408 /nfs/dbraw/zinc/52/54/08/402525408.db2.gz XPKVTGUZPACOHU-ZDUSSCGKSA-N 0 0 308.403 2.103 10 30 DEEERN N#CC1(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)CCCC1 ZINC000171564804 402595388 /nfs/dbraw/zinc/59/53/88/402595388.db2.gz VCEOORVERWCTSZ-CQSZACIVSA-N 0 0 301.321 2.271 10 30 DEEERN Cc1cc(NC(=O)Cn2ccnc2C#N)n(-c2ccccc2F)n1 ZINC000179868597 402602198 /nfs/dbraw/zinc/60/21/98/402602198.db2.gz QCAGYGICUNONQV-UHFFFAOYSA-N 0 0 324.319 2.027 10 30 DEEERN N#CCC[C@H](C#N)CN1CCN(c2nc3ccccc3o2)CC1 ZINC000171623789 402602725 /nfs/dbraw/zinc/60/27/25/402602725.db2.gz AWMLMWFTAOYNJM-CQSZACIVSA-N 0 0 309.373 2.393 10 30 DEEERN C[C@H](NC(=O)NCCCCC#N)c1ccc(-n2cncn2)cc1 ZINC000171727823 402615420 /nfs/dbraw/zinc/61/54/20/402615420.db2.gz UJMKTKKULPKQLH-ZDUSSCGKSA-N 0 0 312.377 2.321 10 30 DEEERN C#CCCCCC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000180451037 402616736 /nfs/dbraw/zinc/61/67/36/402616736.db2.gz GOTTVTVHRDUJSE-GOEBONIOSA-N 0 0 302.418 2.182 10 30 DEEERN CCC(C)(C)CNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000190712010 402619921 /nfs/dbraw/zinc/61/99/21/402619921.db2.gz FSIGJAJCKAFWNU-UHFFFAOYSA-N 0 0 315.421 2.221 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000249272193 402624049 /nfs/dbraw/zinc/62/40/49/402624049.db2.gz KRYBZPJLNMHHBQ-KCYZZUKISA-N 0 0 311.422 2.010 10 30 DEEERN CCn1cnnc1[C@H]1CCCN(C(=O)c2cccc(CC#N)c2)C1 ZINC000171816702 402625363 /nfs/dbraw/zinc/62/53/63/402625363.db2.gz MTFQOQKSGMVGHT-INIZCTEOSA-N 0 0 323.400 2.384 10 30 DEEERN C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181548431 402649061 /nfs/dbraw/zinc/64/90/61/402649061.db2.gz LJAOUWDFUFTSEA-XJKSGUPXSA-N 0 0 314.385 2.166 10 30 DEEERN CSCCCCNC(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000172314778 402649665 /nfs/dbraw/zinc/64/96/65/402649665.db2.gz SOQQHEXHQLHSNW-UHFFFAOYSA-N 0 0 305.403 2.065 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCC[C@H]1CCCCO1 ZINC000181633118 402652362 /nfs/dbraw/zinc/65/23/62/402652362.db2.gz WEWGCKQLGMZWMN-UKRRQHHQSA-N 0 0 302.374 2.401 10 30 DEEERN C[C@H](COCc1ccccc1)NS(=O)(=O)CCCCC#N ZINC000173791863 402712860 /nfs/dbraw/zinc/71/28/60/402712860.db2.gz JHNMWYRQGCPWHC-CQSZACIVSA-N 0 0 310.419 2.205 10 30 DEEERN N#Cc1ccc(OCCNC(=O)CCCc2ccccn2)cc1 ZINC000173884208 402716968 /nfs/dbraw/zinc/71/69/68/402716968.db2.gz UBGFTLGFCOFBEI-UHFFFAOYSA-N 0 0 309.369 2.471 10 30 DEEERN CCc1nn(C[C@@H](O)C2CCCCC2)c(=O)c(C#N)c1CC ZINC000191343113 402662552 /nfs/dbraw/zinc/66/25/52/402662552.db2.gz IHKZFRQEFLHGQZ-MRXNPFEDSA-N 0 0 303.406 2.181 10 30 DEEERN Cc1ccc(S(=O)(=O)NN=Cc2ccc(O)c(O)c2)cc1C ZINC000254517140 402671097 /nfs/dbraw/zinc/67/10/97/402671097.db2.gz ONQNWSWCUXICTG-UHFFFAOYSA-N 0 0 320.370 2.027 10 30 DEEERN CC[C@](NC(=O)c1ccc(C2(C#N)CC2)cc1)(C(N)=O)C(C)C ZINC000182491374 402694631 /nfs/dbraw/zinc/69/46/31/402694631.db2.gz GBTJMEIZBDPORE-GOSISDBHSA-N 0 0 313.401 2.262 10 30 DEEERN N#Cc1nn(-c2ccccc2F)nc1N1CCCC[C@@H]1CCO ZINC000256047756 402699467 /nfs/dbraw/zinc/69/94/67/402699467.db2.gz OMQIBYLNMJWABB-GFCCVEGCSA-N 0 0 315.352 2.019 10 30 DEEERN COc1cccc(F)c1[C@H](C)N[C@@H](C)C(=O)N(C)CCC#N ZINC000174222946 402732078 /nfs/dbraw/zinc/73/20/78/402732078.db2.gz GSIZUKKQXVZEGC-RYUDHWBXSA-N 0 0 307.369 2.245 10 30 DEEERN CC1(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CCC1 ZINC000175116051 402780909 /nfs/dbraw/zinc/78/09/09/402780909.db2.gz ZMXQUVGRLZVMIC-UHFFFAOYSA-N 0 0 309.373 2.246 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cnn(-c2ccccc2F)c1C ZINC000183300282 402754519 /nfs/dbraw/zinc/75/45/19/402754519.db2.gz VCUDBUVJWNUHMW-GFCCVEGCSA-N 0 0 318.352 2.378 10 30 DEEERN N#Cc1cc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)ccn1 ZINC000194042683 402782176 /nfs/dbraw/zinc/78/21/76/402782176.db2.gz PZJKFXKHNAWJQJ-UHFFFAOYSA-N 0 0 310.288 2.229 10 30 DEEERN CC[C@@H](CC#N)NC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000183869377 402802320 /nfs/dbraw/zinc/80/23/20/402802320.db2.gz FURQPRCQVLLTMZ-GOEBONIOSA-N 0 0 317.389 2.071 10 30 DEEERN COc1cc(C#N)ccc1OCC(=O)N[C@H]1COc2ccccc21 ZINC000194870700 402819966 /nfs/dbraw/zinc/81/99/66/402819966.db2.gz XMUQAWUTAJEDSO-AWEZNQCLSA-N 0 0 324.336 2.196 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000184218249 402827493 /nfs/dbraw/zinc/82/74/93/402827493.db2.gz LHDVGOZNOASHDW-RYUDHWBXSA-N 0 0 310.419 2.114 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@H](CC)Oc1cccc(C)c1 ZINC000183660301 402786334 /nfs/dbraw/zinc/78/63/34/402786334.db2.gz NUSWJCVECGFQCE-CABCVRRESA-N 0 0 306.406 2.389 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000183662496 402786628 /nfs/dbraw/zinc/78/66/28/402786628.db2.gz DOROOHOIPTVMOQ-HOCLYGCPSA-N 0 0 320.389 2.303 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)Cc2cccc(F)c2)cn1 ZINC000183680583 402788420 /nfs/dbraw/zinc/78/84/20/402788420.db2.gz GSXGCPIASBSIIV-UHFFFAOYSA-N 0 0 321.315 2.459 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(-c2nccn2C)cs1 ZINC000278855327 402878433 /nfs/dbraw/zinc/87/84/33/402878433.db2.gz XTCFBYXGZWLTSA-ZYHUDNBSSA-N 0 0 318.402 2.463 10 30 DEEERN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000278906541 402884135 /nfs/dbraw/zinc/88/41/35/402884135.db2.gz YXLPIPJOKRIYJS-XIRDDKMYSA-N 0 0 324.371 2.153 10 30 DEEERN C=C[C@@](C)(O)CC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000278923235 402886409 /nfs/dbraw/zinc/88/64/09/402886409.db2.gz SCLPLWGDAKIYOL-QGZVFWFLSA-N 0 0 318.348 2.467 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1nnc(C(C)(C)C)s1 ZINC000279033778 402897041 /nfs/dbraw/zinc/89/70/41/402897041.db2.gz PWGJPTGEHMDORE-ZYHUDNBSSA-N 0 0 309.435 2.433 10 30 DEEERN Cc1c(Cl)cnc(N2CCN(C(=O)C(C)C)CC2)c1C#N ZINC000273036821 402964643 /nfs/dbraw/zinc/96/46/43/402964643.db2.gz OACAWVGQWYKEMS-UHFFFAOYSA-N 0 0 306.797 2.220 10 30 DEEERN N#Cc1cccc(-c2cc(C(=O)N3CCN(C4CC4)CC3)on2)c1 ZINC000279173870 402912443 /nfs/dbraw/zinc/91/24/43/402912443.db2.gz HGFCNAZFWKFKDP-UHFFFAOYSA-N 0 0 322.368 2.133 10 30 DEEERN C=CCCCN(C)S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000265517312 402925992 /nfs/dbraw/zinc/92/59/92/402925992.db2.gz HGSPXVFNEFBAHQ-UHFFFAOYSA-N 0 0 303.405 2.121 10 30 DEEERN C=CCCCN(C)C(=O)NCc1ccc(OCCO)c(OC)c1 ZINC000265589051 402931486 /nfs/dbraw/zinc/93/14/86/402931486.db2.gz SWACPBFHWCUHIM-UHFFFAOYSA-N 0 0 322.405 2.174 10 30 DEEERN C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)Cn1cncn1 ZINC000280600141 403017503 /nfs/dbraw/zinc/01/75/03/403017503.db2.gz FTXXEOPQMZXATG-HNNXBMFYSA-N 0 0 313.405 2.455 10 30 DEEERN C=CC[C@@H](CC)NS(=O)(=O)c1ccc(C)cc1C(=O)OC ZINC000281611747 403074353 /nfs/dbraw/zinc/07/43/53/403074353.db2.gz SRWNBIZJVRPCRX-GFCCVEGCSA-N 0 0 311.403 2.415 10 30 DEEERN C=C(C)CCN1C(=O)N[C@]2(CCc3ccc(OC)cc32)C1=O ZINC000274782437 403087204 /nfs/dbraw/zinc/08/72/04/403087204.db2.gz XZRHZBXBSVENLO-KRWDZBQOSA-N 0 0 300.358 2.355 10 30 DEEERN N#Cc1cnccc1N1CCN(c2ncnc3ccsc32)CC1 ZINC000566654071 292258186 /nfs/dbraw/zinc/25/81/86/292258186.db2.gz GOTFHAJRXHETBU-UHFFFAOYSA-N 0 0 322.397 2.285 10 30 DEEERN Cc1noc([C@H]2C[C@@H](O)CN2c2ccc(C#N)c(Cl)c2)n1 ZINC000282161987 403128375 /nfs/dbraw/zinc/12/83/75/403128375.db2.gz GVJQTBIEDAHNEB-DGCLKSJQSA-N 0 0 304.737 2.215 10 30 DEEERN C=CCCCN1C(=O)N[C@]2(CCc3ccc(OC)cc32)C1=O ZINC000269395851 403136321 /nfs/dbraw/zinc/13/63/21/403136321.db2.gz YFSSZOBOBLHSPX-KRWDZBQOSA-N 0 0 300.358 2.355 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H](C)C1 ZINC000283491915 403201372 /nfs/dbraw/zinc/20/13/72/403201372.db2.gz CZBXMZCRASHNKR-KGLIPLIRSA-N 0 0 306.410 2.178 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000283570833 403207060 /nfs/dbraw/zinc/20/70/60/403207060.db2.gz JMFXYJLKHNUMHK-CQSZACIVSA-N 0 0 316.409 2.313 10 30 DEEERN C=CCC[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H](O)CCCN2C1=O ZINC000277340455 403207482 /nfs/dbraw/zinc/20/74/82/403207482.db2.gz ZJGPQYXJMOMQKO-OWCLPIDISA-N 0 0 314.385 2.481 10 30 DEEERN C#CC[C@@]1(C(=O)N[C@H](C#N)CC)CCCN1C(=O)OC(C)(C)C ZINC000277341217 403207627 /nfs/dbraw/zinc/20/76/27/403207627.db2.gz DOQMBPBAQHHTJZ-GUYCJALGSA-N 0 0 319.405 2.198 10 30 DEEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCN(C(C)=O)CC1 ZINC000283306641 403188339 /nfs/dbraw/zinc/18/83/39/403188339.db2.gz PJLOLUDRPXMBHY-UHFFFAOYSA-N 0 0 319.453 2.111 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)N(C)CC(F)(F)F ZINC000277796604 403258068 /nfs/dbraw/zinc/25/80/68/403258068.db2.gz VHKFCZLTADXSLJ-MRVPVSSYSA-N 0 0 306.250 2.446 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](COC)C1 ZINC000285219418 403279429 /nfs/dbraw/zinc/27/94/29/403279429.db2.gz FDZJZDTZXQJIEN-SJORKVTESA-N 0 0 300.402 2.299 10 30 DEEERN C=CCSc1ccccc1C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000345443055 403336398 /nfs/dbraw/zinc/33/63/98/403336398.db2.gz GHRPSSUGLKSTSB-QGZVFWFLSA-N 0 0 316.426 2.317 10 30 DEEERN C=CCCOCCCCC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O ZINC000342964508 403412543 /nfs/dbraw/zinc/41/25/43/403412543.db2.gz FXXHYRWCHQJKPD-LSDHHAIUSA-N 0 0 310.438 2.300 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(OC)c(C)c(OC)c1 ZINC000293305788 403438843 /nfs/dbraw/zinc/43/88/43/403438843.db2.gz GVKBAKLLIXOHKU-UHFFFAOYSA-N 0 0 320.389 2.375 10 30 DEEERN C=CCCOCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000343299571 403530314 /nfs/dbraw/zinc/53/03/14/403530314.db2.gz GPRQUTLVLAVNOY-GJZGRUSLSA-N 0 0 310.438 2.026 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)Cc1cc(C(=O)OC)c(C)o1 ZINC000345921371 403533780 /nfs/dbraw/zinc/53/37/80/403533780.db2.gz DSJGGUNSQUKAOU-ZFWWWQNUSA-N 0 0 321.373 2.314 10 30 DEEERN C#CCOc1ccc(C(=O)N2CCOC[C@@H]2CC(F)F)cc1 ZINC000286685645 403541956 /nfs/dbraw/zinc/54/19/56/403541956.db2.gz IZANUPNXBZOBRP-ZDUSSCGKSA-N 0 0 309.312 2.195 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCC1(OC)CCC1 ZINC000286688898 403543009 /nfs/dbraw/zinc/54/30/09/403543009.db2.gz IIDSTWNIPRRHNX-MRXNPFEDSA-N 0 0 300.402 2.489 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)c1cnn(-c2cccnc2)c1 ZINC000345823079 403497737 /nfs/dbraw/zinc/49/77/37/403497737.db2.gz BZBCQITVPHNDPC-UHFFFAOYSA-N 0 0 310.279 2.458 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000346414992 403589206 /nfs/dbraw/zinc/58/92/06/403589206.db2.gz AGFLQPXFNMTOMM-OAGGEKHMSA-N 0 0 304.390 2.000 10 30 DEEERN C=CCC(C)(C)CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000293851694 403580776 /nfs/dbraw/zinc/58/07/76/403580776.db2.gz UZYBBHWZOYTXEW-GDBMZVCRSA-N 0 0 315.417 2.320 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000288014012 403708892 /nfs/dbraw/zinc/70/88/92/403708892.db2.gz CBFXMKWIVHVJLE-KURKYZTESA-N 0 0 314.429 2.423 10 30 DEEERN CC[C@@H]1CN(c2cc(C(C)=O)ccc2C#N)CCN1C[C@@H](C)O ZINC000302038469 403706006 /nfs/dbraw/zinc/70/60/06/403706006.db2.gz QIWXGUHDASTDPU-CXAGYDPISA-N 0 0 315.417 2.042 10 30 DEEERN C=CC[C@H](CO)Nc1ccc(-c2nc(CC)cc(=O)[nH]2)cn1 ZINC000302131831 403707536 /nfs/dbraw/zinc/70/75/36/403707536.db2.gz KOMXHSCWTNRIFG-CYBMUJFWSA-N 0 0 300.362 2.156 10 30 DEEERN Cc1nc(CN2CCN(c3ccc(C)c(C#N)n3)CC2)cs1 ZINC000302726027 403717013 /nfs/dbraw/zinc/71/70/13/403717013.db2.gz RXOCXIBICYFWOQ-UHFFFAOYSA-N 0 0 313.430 2.349 10 30 DEEERN Cc1cc(N2CCC([C@@H](O)c3ncc[nH]3)CC2)c(C#N)c(C)n1 ZINC000302765498 403723026 /nfs/dbraw/zinc/72/30/26/403723026.db2.gz LHXTWFCMPUGTMM-MRXNPFEDSA-N 0 0 311.389 2.243 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)NCCc1cc(F)ccc1F ZINC000347543324 403747820 /nfs/dbraw/zinc/74/78/20/403747820.db2.gz PVGQWVFFVXHXHU-GFCCVEGCSA-N 0 0 324.371 2.485 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000288409769 403748886 /nfs/dbraw/zinc/74/88/86/403748886.db2.gz JNTQJZHQSTYFBI-OAHLLOKOSA-N 0 0 310.401 2.051 10 30 DEEERN C#CC[C@H](NS(=O)(=O)[C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000295215675 403800240 /nfs/dbraw/zinc/80/02/40/403800240.db2.gz VDAUIRVVQVSXDG-KBMXLJTQSA-N 0 0 307.415 2.238 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000354535058 403861884 /nfs/dbraw/zinc/86/18/84/403861884.db2.gz FARFHKFMCDOOMR-GFCCVEGCSA-N 0 0 302.349 2.030 10 30 DEEERN C#Cc1ccc(CNC(=O)[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000295408823 403908589 /nfs/dbraw/zinc/90/85/89/403908589.db2.gz JGDKZIJPCSNROX-AWEZNQCLSA-N 0 0 310.319 2.168 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC[C@H]1SCCc2ccccc21 ZINC000344113333 403918471 /nfs/dbraw/zinc/91/84/71/403918471.db2.gz LZLWJGYMEQVKRE-UKRRQHHQSA-N 0 0 306.431 2.253 10 30 DEEERN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000362126719 403927601 /nfs/dbraw/zinc/92/76/01/403927601.db2.gz VKSNDEXNFKMCFC-LBPRGKRZSA-N 0 0 304.394 2.049 10 30 DEEERN C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2C[C@H]2c2ccco2)c1 ZINC000362885412 403996004 /nfs/dbraw/zinc/99/60/04/403996004.db2.gz OXFZYRKSMOSCLM-HUUCEWRRSA-N 0 0 308.337 2.119 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)C1CCCCC1 ZINC000289818009 403999730 /nfs/dbraw/zinc/99/97/30/403999730.db2.gz WBOGZJBOLDCSIK-AWEZNQCLSA-N 0 0 306.410 2.321 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(OC)c(Br)c1 ZINC000316447405 404025654 /nfs/dbraw/zinc/02/56/54/404025654.db2.gz QIEYJNZTSAACMP-SNVBAGLBSA-N 0 0 314.179 2.125 10 30 DEEERN C=CCN(C(=O)c1cc[nH]c1C1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000362582673 403968352 /nfs/dbraw/zinc/96/83/52/403968352.db2.gz ATVCKRSDWRDMBZ-ZDUSSCGKSA-N 0 0 322.430 2.098 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)NCc1nnc(CC)o1 ZINC000348657643 404088886 /nfs/dbraw/zinc/08/88/86/404088886.db2.gz FLANVJBJPLXDDB-UHFFFAOYSA-N 0 0 317.345 2.135 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000344335130 404065117 /nfs/dbraw/zinc/06/51/17/404065117.db2.gz RENWQAPLULHFOS-VLXAULBPSA-N 0 0 304.390 2.176 10 30 DEEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC([C@H](C)O)CC1)CCC2 ZINC000328651910 404123947 /nfs/dbraw/zinc/12/39/47/404123947.db2.gz KCQCDTHOSWTGSJ-ZFWWWQNUSA-N 0 0 320.437 2.076 10 30 DEEERN O=C(NCc1ccon1)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328642291 404122581 /nfs/dbraw/zinc/12/25/81/404122581.db2.gz YKEAJXMZFCSZMS-UKRRQHHQSA-N 0 0 301.346 2.456 10 30 DEEERN C=CCOc1ccc(CN2CCOC[C@@H]2c2ncon2)cc1 ZINC000355005267 404152568 /nfs/dbraw/zinc/15/25/68/404152568.db2.gz UPRHJBNIQNMHEU-OAHLLOKOSA-N 0 0 301.346 2.208 10 30 DEEERN C=CCN(C(=O)[C@H]1CCCN1C(=O)Cc1cccs1)C1CC1 ZINC000363836608 404225347 /nfs/dbraw/zinc/22/53/47/404225347.db2.gz VGMBJTOWYLZPTP-OAHLLOKOSA-N 0 0 318.442 2.459 10 30 DEEERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCOC[C@H]1C ZINC000329075634 404222015 /nfs/dbraw/zinc/22/20/15/404222015.db2.gz BVPMWIKFOCSPBM-AAVRWANBSA-N 0 0 307.394 2.362 10 30 DEEERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCOC1 ZINC000329121253 404236002 /nfs/dbraw/zinc/23/60/02/404236002.db2.gz QISDMLPZDUYIPE-YNEHKIRRSA-N 0 0 303.424 2.115 10 30 DEEERN CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000329139855 404241708 /nfs/dbraw/zinc/24/17/08/404241708.db2.gz JCYWHDDZNVZNDF-NOLJZWGESA-N 0 0 320.364 2.481 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CC3(C)C)cc2C1=O ZINC000352289365 404270079 /nfs/dbraw/zinc/27/00/79/404270079.db2.gz IJBRWPMAOCLXRO-GFCCVEGCSA-N 0 0 312.369 2.245 10 30 DEEERN C[C@@H]1CCN(C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)C[C@H]1C ZINC000329245690 404278196 /nfs/dbraw/zinc/27/81/96/404278196.db2.gz VJKOFZIEIVZLFT-HGTKMLMNSA-N 0 0 320.437 2.390 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1csc(-c2ccccn2)n1 ZINC000350220377 404347246 /nfs/dbraw/zinc/34/72/46/404347246.db2.gz FDDKSAXAWAOTHT-SNVBAGLBSA-N 0 0 304.375 2.264 10 30 DEEERN C[C@@H]1C[C@H](C)CN(C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)C1 ZINC000329698882 404427145 /nfs/dbraw/zinc/42/71/45/404427145.db2.gz CVHACAICUNQBOT-KNCOVGOOSA-N 0 0 320.437 2.390 10 30 DEEERN NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CC3(CCC3)[C@H]2C2CC2)O1 ZINC000329540074 404369839 /nfs/dbraw/zinc/36/98/39/404369839.db2.gz CSZPTFQWIFASMU-FRRDWIJNSA-N 0 0 307.394 2.248 10 30 DEEERN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2=CCC2)cc1 ZINC000355827994 404370420 /nfs/dbraw/zinc/37/04/20/404370420.db2.gz BZYPMSNAMQXKQN-UHFFFAOYSA-N 0 0 306.387 2.152 10 30 DEEERN C=CCOCCOc1ccc(Cl)cc1S(=O)(=O)N(C)C ZINC000338565524 404406883 /nfs/dbraw/zinc/40/68/83/404406883.db2.gz YCPNWAAYKGPIGU-UHFFFAOYSA-N 0 0 319.810 2.172 10 30 DEEERN O=C(Nc1cccc(N2CCNC2=O)c1)N1C[C@@H]2CCC[C@H]21 ZINC000329666641 404414427 /nfs/dbraw/zinc/41/44/27/404414427.db2.gz LALOMGKNKRAZSK-SMDDNHRTSA-N 0 0 300.362 2.450 10 30 DEEERN CC(=O)N1CCC[C@H](CNC(=O)N2CC3(CCC3)[C@@H]2C2CC2)C1 ZINC000329676797 404418270 /nfs/dbraw/zinc/41/82/70/404418270.db2.gz UYBLAMBKMJETBF-ZBFHGGJFSA-N 0 0 319.449 2.423 10 30 DEEERN CC(C)c1noc2ncc(C(=O)N[C@@H]3CC[S@](=O)C3)cc21 ZINC000330010757 404526442 /nfs/dbraw/zinc/52/64/42/404526442.db2.gz HGSPRXREZLPSJM-UZJPJQLHSA-N 0 0 307.375 2.172 10 30 DEEERN Cc1ccc2nc(CNC(=O)N3CCO[C@@H](C4CC4)C3)cn2c1 ZINC000329738159 404437734 /nfs/dbraw/zinc/43/77/34/404437734.db2.gz MPJGGUMVVLQVHZ-OAHLLOKOSA-N 0 0 314.389 2.168 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000342207581 404443982 /nfs/dbraw/zinc/44/39/82/404443982.db2.gz UKOGMPJILCSKPO-LBPRGKRZSA-N 0 0 316.405 2.229 10 30 DEEERN CCC[C@@H]1C[C@@H]1NC(=O)N1CCC2(CC1)[C@H](O)C[C@H]2OCC ZINC000330088472 404548516 /nfs/dbraw/zinc/54/85/16/404548516.db2.gz USJRTOOYMHRQRV-LXTVHRRPSA-N 0 0 310.438 2.341 10 30 DEEERN Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)CC2CC2)CC(=O)N1C ZINC000330114745 404556900 /nfs/dbraw/zinc/55/69/00/404556900.db2.gz FDYBLERSXUVRFK-MLGOLLRUSA-N 0 0 304.394 2.065 10 30 DEEERN C=CCN1CC[C@H](N(C)c2cc(C#N)c3ccccc3n2)C1=O ZINC000358655687 404770884 /nfs/dbraw/zinc/77/08/84/404770884.db2.gz AMYUCZJZYHMMBN-INIZCTEOSA-N 0 0 306.369 2.330 10 30 DEEERN C=CC[C@H](CO)CNC(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000357243980 404731366 /nfs/dbraw/zinc/73/13/66/404731366.db2.gz OBLQUCHOBPNCBU-NSHDSACASA-N 0 0 316.323 2.130 10 30 DEEERN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000375707163 404731761 /nfs/dbraw/zinc/73/17/61/404731761.db2.gz XWBSXVIFFNXNDO-LSDHHAIUSA-N 0 0 311.451 2.287 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1cnn(C)c1-c1ccccc1 ZINC000353117199 404746242 /nfs/dbraw/zinc/74/62/42/404746242.db2.gz PJLBEFSIEIGFPF-ZDUSSCGKSA-N 0 0 300.362 2.146 10 30 DEEERN C=C(C)[C@H](CC(=O)N1C[C@H](CC)O[C@]2(CCOC2)C1)OCC ZINC000358202623 404756282 /nfs/dbraw/zinc/75/62/82/404756282.db2.gz CEJRWVCKWUXYMZ-YQQAZPJKSA-N 0 0 311.422 2.154 10 30 DEEERN C=CCNC(=O)c1ccc(N2CC[C@H](Cc3ccncc3)C2)nc1 ZINC000360691353 404834327 /nfs/dbraw/zinc/83/43/27/404834327.db2.gz LYSKGABNXCSHQL-MRXNPFEDSA-N 0 0 322.412 2.461 10 30 DEEERN C[C@@H](C(=O)Nc1scnc1-c1ccccc1)n1cnc(C#N)n1 ZINC000361028292 404884933 /nfs/dbraw/zinc/88/49/33/404884933.db2.gz DQIVHXCCDQEIKO-JTQLQIEISA-N 0 0 324.369 2.473 10 30 DEEERN C=C(C)CN(C)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000366994374 404892727 /nfs/dbraw/zinc/89/27/27/404892727.db2.gz BTCXTZQAGXEGGU-ZBFHGGJFSA-N 0 0 315.417 2.394 10 30 DEEERN C#CCN(CC#N)C(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000367180373 404956658 /nfs/dbraw/zinc/95/66/58/404956658.db2.gz LAZUNGAFLLWBQN-MRXNPFEDSA-N 0 0 323.396 2.032 10 30 DEEERN Cc1cc(C[C@H](C)NC(=O)C2(c3cccc(C#N)c3)CC2)[nH]n1 ZINC000435341584 404970307 /nfs/dbraw/zinc/97/03/07/404970307.db2.gz ZFLHDEZBVSLNRI-LBPRGKRZSA-N 0 0 308.385 2.369 10 30 DEEERN C=CCCCNC(=O)[C@H]1CC(=O)N(CC)[C@@H]1c1cccnc1 ZINC000451298737 404944532 /nfs/dbraw/zinc/94/45/32/404944532.db2.gz XPBLVVCSYDUSMT-GOEBONIOSA-N 0 0 301.390 2.074 10 30 DEEERN COC(=O)CC1(CC(=O)Nc2cc(C#N)ccn2)CCCC1 ZINC000436025800 405037265 /nfs/dbraw/zinc/03/72/65/405037265.db2.gz HBDOLYMTCGKEIT-UHFFFAOYSA-N 0 0 301.346 2.405 10 30 DEEERN CSc1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1F ZINC000367347078 405018962 /nfs/dbraw/zinc/01/89/62/405018962.db2.gz TUWOFEVCDIZURM-ZDUSSCGKSA-N 0 0 319.405 2.360 10 30 DEEERN C=CCCc1ccccc1NC(=O)N1CCO[C@@H]([C@@H](C)O)C1 ZINC000417101552 405035585 /nfs/dbraw/zinc/03/55/85/405035585.db2.gz YIAOKXFGXTYARY-CZUORRHYSA-N 0 0 304.390 2.419 10 30 DEEERN C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc(N(C)C)c1 ZINC000435601465 404994458 /nfs/dbraw/zinc/99/44/58/404994458.db2.gz MVNCXAWFBLZLDB-BBRMVZONSA-N 0 0 324.446 2.012 10 30 DEEERN CC#CCCNC(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000354246415 405121116 /nfs/dbraw/zinc/12/11/16/405121116.db2.gz FOGJMMFHCRFMPN-DLBZAZTESA-N 0 0 308.385 2.441 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)[C@H](Cc2ccccc2)N(C)C1=O ZINC000424626620 405132930 /nfs/dbraw/zinc/13/29/30/405132930.db2.gz UIVYCRXQXGRFPH-JYJNAYRXSA-N 0 0 314.385 2.083 10 30 DEEERN C=C(CC)CNS(=O)(=O)c1cc(C(=O)OC)cc(F)c1C ZINC000452040275 405136562 /nfs/dbraw/zinc/13/65/62/405136562.db2.gz JKPQVBTVQCPBTR-UHFFFAOYSA-N 0 0 315.366 2.165 10 30 DEEERN C=CCC1(C(=O)NCCc2cccnc2OC)CCOCC1 ZINC000424838123 405192903 /nfs/dbraw/zinc/19/29/03/405192903.db2.gz VFABNCQDWIZQKF-UHFFFAOYSA-N 0 0 304.390 2.122 10 30 DEEERN C=CCC1(C(=O)N[C@H]2CCCC(F)(F)[C@@H]2O)CCOCC1 ZINC000424878710 405204280 /nfs/dbraw/zinc/20/42/80/405204280.db2.gz KLCXGXSRZNVVDS-NWDGAFQWSA-N 0 0 303.349 2.024 10 30 DEEERN C=CCn1cc(CNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)nn1 ZINC000424909034 405211050 /nfs/dbraw/zinc/21/10/50/405211050.db2.gz RQZRPBLPSBBIGC-NXEZZACHSA-N 0 0 302.300 2.059 10 30 DEEERN C[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[C@@H]1O ZINC000408459733 405211390 /nfs/dbraw/zinc/21/13/90/405211390.db2.gz ZEOSBJFBYBDNMC-CABZTGNLSA-N 0 0 323.190 2.164 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCN(c2ccccc2F)C1 ZINC000424927665 405214015 /nfs/dbraw/zinc/21/40/15/405214015.db2.gz XDLNKCYCFNCPAB-VBQJREDUSA-N 0 0 318.392 2.359 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1(c2ccccc2)CCOCC1 ZINC000424930072 405214668 /nfs/dbraw/zinc/21/46/68/405214668.db2.gz DDLGABNDZABSGS-RDJZCZTQSA-N 0 0 315.413 2.442 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCCc1nc(CCC)no1 ZINC000424933528 405215136 /nfs/dbraw/zinc/21/51/36/405215136.db2.gz QQHFJILYLAJVFN-STQMWFEESA-N 0 0 307.394 2.052 10 30 DEEERN C=CCC1(C(=O)N2CC[C@H](c3nccn3C)C2)CCOCC1 ZINC000424753349 405168783 /nfs/dbraw/zinc/16/87/83/405168783.db2.gz PCUYCEHERXHYAC-AWEZNQCLSA-N 0 0 303.406 2.109 10 30 DEEERN C=C(C)CCN1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000367847183 405172335 /nfs/dbraw/zinc/17/23/35/405172335.db2.gz HUCNPIAFWHCEHB-HUUCEWRRSA-N 0 0 300.402 2.462 10 30 DEEERN CCc1nc(C)c(NC(=O)C(=O)N(CCC#N)CC2CC2)s1 ZINC000439316276 405274937 /nfs/dbraw/zinc/27/49/37/405274937.db2.gz CXYOHFQXJUQQCT-UHFFFAOYSA-N 0 0 320.418 2.105 10 30 DEEERN C=C(CC)CN1C(=O)N[C@H](c2ccc(OC)cc2OC)C1=O ZINC000420068743 405285204 /nfs/dbraw/zinc/28/52/04/405285204.db2.gz VCGWXLQIPJOBEU-CQSZACIVSA-N 0 0 304.346 2.263 10 30 DEEERN C=CC[C@H](C)NC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000438067462 405229376 /nfs/dbraw/zinc/22/93/76/405229376.db2.gz VNRVOESGLYVTAP-STQMWFEESA-N 0 0 324.446 2.121 10 30 DEEERN C=CC(C)(C)CNC(=O)c1cnn2cc(Br)cnc12 ZINC000452776677 405241876 /nfs/dbraw/zinc/24/18/76/405241876.db2.gz SAVQHBMODHSLRZ-UHFFFAOYSA-N 0 0 323.194 2.434 10 30 DEEERN C=CCNC(=O)CSCc1nc2sc(C)c(C)c2c(N)n1 ZINC000419366336 405244370 /nfs/dbraw/zinc/24/43/70/405244370.db2.gz VGQJTKBFUIOQKA-UHFFFAOYSA-N 0 0 322.459 2.426 10 30 DEEERN C=CCCCS(=O)(=O)N(CC1CC1)[C@@](C)(CC)C(=O)OC ZINC000425203263 405257680 /nfs/dbraw/zinc/25/76/80/405257680.db2.gz DYVOKBAAEHTRGE-HNNXBMFYSA-N 0 0 317.451 2.336 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(CC(=O)OC)cc1 ZINC000425644438 405309878 /nfs/dbraw/zinc/30/98/78/405309878.db2.gz MOSXMQZDEUDQKA-ZFWWWQNUSA-N 0 0 318.373 2.115 10 30 DEEERN C=CCn1c(N(C)[C@H]2CCSC2)nnc1[C@]1(C)CCCO1 ZINC000453436432 405291951 /nfs/dbraw/zinc/29/19/51/405291951.db2.gz HWYHHZVPWYHICG-WFASDCNBSA-N 0 0 308.451 2.431 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCc1ccc(O)cc1 ZINC000425567068 405304115 /nfs/dbraw/zinc/30/41/15/405304115.db2.gz RTUXEONAHLRYKS-HOCLYGCPSA-N 0 0 304.390 2.215 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446291064 405378178 /nfs/dbraw/zinc/37/81/78/405378178.db2.gz GLNOWHMUWZWJSX-SNVBAGLBSA-N 0 0 312.753 2.471 10 30 DEEERN C=CC(C)(C)CNC(=O)NCc1nn(C)cc1Br ZINC000455349383 405400069 /nfs/dbraw/zinc/40/00/69/405400069.db2.gz MVGASOHMSDLXAL-UHFFFAOYSA-N 0 0 315.215 2.194 10 30 DEEERN C=CC(C)(C)CNC(=O)N1CCC(Oc2cnccn2)CC1 ZINC000455380663 405402988 /nfs/dbraw/zinc/40/29/88/405402988.db2.gz GNMZRHONVQVOHR-UHFFFAOYSA-N 0 0 304.394 2.242 10 30 DEEERN C=CC(C)(C)CNC(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000455389454 405403926 /nfs/dbraw/zinc/40/39/26/405403926.db2.gz UEHMUGIYOJJHAU-UHFFFAOYSA-N 0 0 306.385 2.265 10 30 DEEERN C=CCCc1ccccc1NC(=O)N1CCN(CCO)C[C@@H]1C ZINC000455390526 405404066 /nfs/dbraw/zinc/40/40/66/405404066.db2.gz XSJTVROQHQDOGF-HNNXBMFYSA-N 0 0 317.433 2.336 10 30 DEEERN CC(C)C[C@@](C)(C#N)NC(=O)CN1CCc2ccccc2C1=O ZINC000447445475 405414496 /nfs/dbraw/zinc/41/44/96/405414496.db2.gz BULZEKLGKPKUAT-SFHVURJKSA-N 0 0 313.401 2.129 10 30 DEEERN C=C(CC)CNC(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000455523145 405421512 /nfs/dbraw/zinc/42/15/12/405421512.db2.gz NIGKAPUTPKDQGO-INIZCTEOSA-N 0 0 304.390 2.442 10 30 DEEERN C=CCOc1ccc(CC(=O)N2CCCC[C@H]2CC(N)=O)cc1 ZINC000448831161 405453493 /nfs/dbraw/zinc/45/34/93/405453493.db2.gz OSFNEDKXASWSRK-HNNXBMFYSA-N 0 0 316.401 2.050 10 30 DEEERN N#C[C@@]1(C(=O)NCCCc2nnc3ccccn32)CC12CCCC2 ZINC000448845999 405455372 /nfs/dbraw/zinc/45/53/72/405455372.db2.gz GTUUTKGIZSPOKB-GOSISDBHSA-N 0 0 323.400 2.252 10 30 DEEERN C=C[C@H](C)NC(=O)C(=O)N1CCc2c1cccc2Br ZINC000421197037 405455748 /nfs/dbraw/zinc/45/57/48/405455748.db2.gz AMOIGKHQMIRQLH-VIFPVBQESA-N 0 0 323.190 2.029 10 30 DEEERN Cn1c(C#N)ccc1C(=O)NCc1nc2c(s1)CCCC2 ZINC000448870371 405457909 /nfs/dbraw/zinc/45/79/09/405457909.db2.gz BTXYSFLREPFAOX-UHFFFAOYSA-N 0 0 300.387 2.162 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000448879985 405458716 /nfs/dbraw/zinc/45/87/16/405458716.db2.gz BLNMTYLWLYHLAH-INIZCTEOSA-N 0 0 313.332 2.250 10 30 DEEERN C=C1CC(C)(C(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)C1 ZINC000633157726 405473161 /nfs/dbraw/zinc/47/31/61/405473161.db2.gz CJGYHHRIPBJLNV-LBPRGKRZSA-N 0 0 302.349 2.404 10 30 DEEERN C=CCN(C(=O)[C@H]1CCN1Cc1ccc(OC)cc1)C1CC1 ZINC000635764313 405484006 /nfs/dbraw/zinc/48/40/06/405484006.db2.gz GLOHWEWIXOVARO-QGZVFWFLSA-N 0 0 300.402 2.447 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000577724072 405498693 /nfs/dbraw/zinc/49/86/93/405498693.db2.gz CSEKJWYAKOLDRR-SRVKXCTJSA-N 0 0 322.409 2.318 10 30 DEEERN C=CCNC(=O)c1cccc(-c2noc(COCC(F)F)n2)c1 ZINC000528117989 405508079 /nfs/dbraw/zinc/50/80/79/405508079.db2.gz OEPAVSWZPKCUSP-UHFFFAOYSA-N 0 0 323.299 2.434 10 30 DEEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCC[C@@H]1CCOC1 ZINC000456761565 405553553 /nfs/dbraw/zinc/55/35/53/405553553.db2.gz KTPHVPCMYDCQBW-DYVFJYSZSA-N 0 0 324.421 2.181 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000633410742 405628353 /nfs/dbraw/zinc/62/83/53/405628353.db2.gz BPBOPCRAYIJAFE-CHWSQXEVSA-N 0 0 318.483 2.442 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCN(c2cccnn2)CC1 ZINC000633410830 405628409 /nfs/dbraw/zinc/62/84/09/405628409.db2.gz DMDNQPBNGNHFLO-UHFFFAOYSA-N 0 0 317.437 2.301 10 30 DEEERN C=CCOCCCC(=O)N(C)C1CCN(CC(F)(F)F)CC1 ZINC000456940406 405628524 /nfs/dbraw/zinc/62/85/24/405628524.db2.gz RWEWTWOCPRYEBF-UHFFFAOYSA-N 0 0 322.371 2.454 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000633411399 405629975 /nfs/dbraw/zinc/62/99/75/405629975.db2.gz RBMMZWVDZCMCBJ-UHFFFAOYSA-N 0 0 319.453 2.244 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000580067391 405576899 /nfs/dbraw/zinc/57/68/99/405576899.db2.gz NDMPMXUYNZPNFL-BBWFWOEESA-N 0 0 316.401 2.361 10 30 DEEERN C=C(CC)CNC(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000456825984 405581063 /nfs/dbraw/zinc/58/10/63/405581063.db2.gz HXEFATVWLWUVCU-LLVKDONJSA-N 0 0 308.328 2.400 10 30 DEEERN C=CCC[C@@H](NCc1cnc2nc(C)cc(C)n12)C(=O)OCC ZINC000449656302 405664984 /nfs/dbraw/zinc/66/49/84/405664984.db2.gz KEVALIMTUPOPMI-OAHLLOKOSA-N 0 0 316.405 2.334 10 30 DEEERN C=CCC[C@H](NCc1cnc2ccc(C#N)cn12)C(=O)OCC ZINC000449659139 405669253 /nfs/dbraw/zinc/66/92/53/405669253.db2.gz VCGXZGMBJGHCEB-HNNXBMFYSA-N 0 0 312.373 2.193 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1sc([C@H]2CCOC2)nc1C ZINC000633486874 405671672 /nfs/dbraw/zinc/67/16/72/405671672.db2.gz MSEKYTWZFZLVLV-AVGNSLFASA-N 0 0 322.430 2.276 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@H](n1ccnc1)C(F)(F)F ZINC000636055910 405710646 /nfs/dbraw/zinc/71/06/46/405710646.db2.gz DUGPEPHULWIPRO-SRVKXCTJSA-N 0 0 317.311 2.084 10 30 DEEERN N#Cc1cccc(CC(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000558938535 405710965 /nfs/dbraw/zinc/71/09/65/405710965.db2.gz DUTSLWIXCDNVRG-UHFFFAOYSA-N 0 0 319.408 2.445 10 30 DEEERN C=CCC1(C(=O)N2CCC(OC)(OC)[C@H](O)C2)CCCCC1 ZINC000636074489 405723710 /nfs/dbraw/zinc/72/37/10/405723710.db2.gz OLPVLVSPACFUAB-CQSZACIVSA-N 0 0 311.422 2.095 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000457225852 405760907 /nfs/dbraw/zinc/76/09/07/405760907.db2.gz FJZAYVJVTTUPKC-QGZVFWFLSA-N 0 0 317.389 2.091 10 30 DEEERN C=CCCCCCNC(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000582429145 405730124 /nfs/dbraw/zinc/73/01/24/405730124.db2.gz KNZJENWERAEEJJ-CVEARBPZSA-N 0 0 309.454 2.237 10 30 DEEERN COc1ccc(C#N)cc1CN1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528793061 405741277 /nfs/dbraw/zinc/74/12/77/405741277.db2.gz LHDMZOOOGKVDFF-OAHLLOKOSA-N 0 0 310.357 2.400 10 30 DEEERN C=CCCc1ccccc1NC(=O)NC[C@H](O)[C@@H]1CCCO1 ZINC000529089251 405748869 /nfs/dbraw/zinc/74/88/69/405748869.db2.gz GORRAJOZELUGFI-HOTGVXAUSA-N 0 0 304.390 2.467 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(C)n([C@H]2CCOC2)c1C ZINC000529452059 405758859 /nfs/dbraw/zinc/75/88/59/405758859.db2.gz KISAUTRRBJSPAF-IMJJTQAJSA-N 0 0 304.390 2.140 10 30 DEEERN C=C1CC(C)(C(=O)NCC2(OCCO)CCC(F)(F)CC2)C1 ZINC000633675901 405783075 /nfs/dbraw/zinc/78/30/75/405783075.db2.gz GZBSCUVYGAPQRQ-UHFFFAOYSA-N 0 0 317.376 2.416 10 30 DEEERN C=CCC1(C(=O)N2CCC[C@@H](n3ccnn3)CC2)CCOCC1 ZINC000636193072 405804129 /nfs/dbraw/zinc/80/41/29/405804129.db2.gz OXICMSQMHTYAOC-OAHLLOKOSA-N 0 0 318.421 2.205 10 30 DEEERN C=C[C@](C)(O)CC(=O)N[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000633750286 405820573 /nfs/dbraw/zinc/82/05/73/405820573.db2.gz OXHLXRORWQSJFL-HIFRSBDPSA-N 0 0 315.772 2.346 10 30 DEEERN C=CCOc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 ZINC000530072753 405774761 /nfs/dbraw/zinc/77/47/61/405774761.db2.gz VXCZYZAXRKMUDI-VVBPWWLESA-N 0 0 319.426 2.377 10 30 DEEERN COC(=O)[C@@H](NC(=O)Cc1cccc(C#N)c1)C1CCCCC1 ZINC000531038958 405898629 /nfs/dbraw/zinc/89/86/29/405898629.db2.gz MIGYZYPIOIXFTG-KRWDZBQOSA-N 0 0 314.385 2.339 10 30 DEEERN C[C@@H](NC(=O)Cc1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1C ZINC000530917302 405881408 /nfs/dbraw/zinc/88/14/08/405881408.db2.gz YBWYKMCDEOHCCL-UONOGXRCSA-N 0 0 313.401 2.006 10 30 DEEERN CCC1(CC)[C@H](NC(=O)c2ccc(C#N)n2C)[C@@H](C)[C@@H]1OC ZINC000450373914 405863937 /nfs/dbraw/zinc/86/39/37/405863937.db2.gz DJNXBEMMPFZROM-DFBGVHRSSA-N 0 0 303.406 2.466 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1nnn(-c2cnn(C)c2)c1C ZINC000633966073 405933608 /nfs/dbraw/zinc/93/36/08/405933608.db2.gz DLDCWWXJICRHIM-UHFFFAOYSA-N 0 0 316.409 2.031 10 30 DEEERN C=CCCC(C)(C)CNC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000633966648 405935251 /nfs/dbraw/zinc/93/52/51/405935251.db2.gz SOCOIORFKPNKMW-LBPRGKRZSA-N 0 0 322.371 2.358 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccccc2-c2cnn(C)c2)C1=O ZINC000630979782 405950220 /nfs/dbraw/zinc/95/02/20/405950220.db2.gz SXXODHOSHOXJLM-INIZCTEOSA-N 0 0 324.384 2.474 10 30 DEEERN C=CCN(C[C@@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000450565269 405957634 /nfs/dbraw/zinc/95/76/34/405957634.db2.gz WBGMJQCOSJBVND-STQMWFEESA-N 0 0 307.406 2.487 10 30 DEEERN COC(=O)C(C#N)=NNc1ccc(OCC(F)(F)F)cc1 ZINC000606302599 405909717 /nfs/dbraw/zinc/90/97/17/405909717.db2.gz FUTPNTKQSJNXKV-ZDLGFXPLSA-N 0 0 301.224 2.092 10 30 DEEERN C=C(C)[C@@H](CC(=O)Nc1cccc2c1NC(=O)CO2)OCC ZINC000636369103 405919435 /nfs/dbraw/zinc/91/94/35/405919435.db2.gz WSVDHHUXVLBMJX-CYBMUJFWSA-N 0 0 304.346 2.327 10 30 DEEERN C=CCCOCCNC(=O)c1c(F)cncc1Br ZINC000632130438 406014014 /nfs/dbraw/zinc/01/40/14/406014014.db2.gz LDABKKDWVJIDKB-UHFFFAOYSA-N 0 0 317.158 2.306 10 30 DEEERN C=CCOCCCC(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000434053865 406014478 /nfs/dbraw/zinc/01/44/78/406014478.db2.gz PQNVDZDHDSHLNC-YPMHNXCESA-N 0 0 309.328 2.131 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)c1cccnc1 ZINC000636473942 405977003 /nfs/dbraw/zinc/97/70/03/405977003.db2.gz KRSIVNJTEQWTKT-CYBMUJFWSA-N 0 0 303.406 2.367 10 30 DEEERN C=C[C@H](CC(=O)N1C[C@H](OC)C[C@]1(C)CO)c1ccccc1 ZINC000634065884 405990270 /nfs/dbraw/zinc/99/02/70/405990270.db2.gz FAJUOVGSXPGFJN-QGPMSJSTSA-N 0 0 303.402 2.345 10 30 DEEERN C=CC[C@H](CC)NS(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632302083 406085461 /nfs/dbraw/zinc/08/54/61/406085461.db2.gz XFOUJOYGWHYHPF-QMMMGPOBSA-N 0 0 311.329 2.072 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](CCOC)c1ccco1 ZINC000636803703 406086253 /nfs/dbraw/zinc/08/62/53/406086253.db2.gz DKJUDJPYWLOYPX-CYBMUJFWSA-N 0 0 322.405 2.192 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CCc1ncc(C)s1 ZINC000566143445 406086404 /nfs/dbraw/zinc/08/64/04/406086404.db2.gz HYZXJVIUSJHVSD-STQMWFEESA-N 0 0 309.435 2.227 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCC[C@H]1CCCCO1 ZINC000636810438 406087564 /nfs/dbraw/zinc/08/75/64/406087564.db2.gz DQPNJFNTJKYVFE-CQSZACIVSA-N 0 0 310.438 2.170 10 30 DEEERN C=CCOCC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000464987650 406090404 /nfs/dbraw/zinc/09/04/04/406090404.db2.gz UKXVDOVWUQGSFF-CABCVRRESA-N 0 0 309.406 2.159 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000566629323 406090729 /nfs/dbraw/zinc/09/07/29/406090729.db2.gz QLSCUUTWAZTRRZ-UHFFFAOYSA-N 0 0 303.337 2.498 10 30 DEEERN C=CCCCNC(=O)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000636835004 406095396 /nfs/dbraw/zinc/09/53/96/406095396.db2.gz WISRGTDCSQAKCX-UHFFFAOYSA-N 0 0 320.336 2.466 10 30 DEEERN C=CCCCNC(=O)C(=O)N1CC[C@@H](c2ccc(C)cc2)C1 ZINC000567541466 406097688 /nfs/dbraw/zinc/09/76/88/406097688.db2.gz ATDWRSITAKXKDB-MRXNPFEDSA-N 0 0 300.402 2.393 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](CC)[C@@H]1CCCO1 ZINC000636863802 406104670 /nfs/dbraw/zinc/10/46/70/406104670.db2.gz DDSVQUPQKWLMHI-KBPBESRZSA-N 0 0 310.438 2.169 10 30 DEEERN C=CCCCCCNC(=O)Cc1cccc(NS(C)(=O)=O)c1 ZINC000515310168 406059994 /nfs/dbraw/zinc/05/99/94/406059994.db2.gz OZJOALKMFOGPPB-UHFFFAOYSA-N 0 0 324.446 2.463 10 30 DEEERN C=CCC1(C(=O)NCc2nnc(C3CC3)s2)CCOCC1 ZINC000565535673 406073144 /nfs/dbraw/zinc/07/31/44/406073144.db2.gz RJRYGVZZFRNIKL-UHFFFAOYSA-N 0 0 307.419 2.405 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)NCc1sc(C)nc1C ZINC000636756328 406073839 /nfs/dbraw/zinc/07/38/39/406073839.db2.gz CRPFUEHMDZEROC-UHFFFAOYSA-N 0 0 323.462 2.485 10 30 DEEERN C=C(C)COCCNC(=O)N[C@H](c1ccccc1F)[C@@H](C)O ZINC000565603478 406074389 /nfs/dbraw/zinc/07/43/89/406074389.db2.gz JYCSUVZVMOSPQB-DOMZBBRYSA-N 0 0 310.369 2.140 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N[C@H](c1ccccn1)C1CCC1 ZINC000637073220 406168318 /nfs/dbraw/zinc/16/83/18/406168318.db2.gz NIVAFDGQEGMBCM-INIZCTEOSA-N 0 0 315.417 2.464 10 30 DEEERN CO[C@H]1CC[C@H](NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C1 ZINC000471703100 406109798 /nfs/dbraw/zinc/10/97/98/406109798.db2.gz RXVKWNCJXBXVLX-HOCLYGCPSA-N 0 0 324.384 2.350 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000636881286 406111461 /nfs/dbraw/zinc/11/14/61/406111461.db2.gz AEKMVUWHIIPAPF-KFWWJZLASA-N 0 0 322.449 2.169 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1CCCC12CCOCC2 ZINC000636939567 406128066 /nfs/dbraw/zinc/12/80/66/406128066.db2.gz KDXDGZYXPSBISY-AWEZNQCLSA-N 0 0 322.449 2.170 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)[C@](C)(OC)C1CC1 ZINC000636962270 406134461 /nfs/dbraw/zinc/13/44/61/406134461.db2.gz DSZGOBKDQPQWQC-ACJLOTCBSA-N 0 0 324.465 2.415 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NC[C@H]1CC12CCSCC2 ZINC000636974857 406138013 /nfs/dbraw/zinc/13/80/13/406138013.db2.gz MHJUTSJXGZDRHU-CYBMUJFWSA-N 0 0 324.490 2.354 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCc1cc(C)nc(C)c1 ZINC000636973855 406138176 /nfs/dbraw/zinc/13/81/76/406138176.db2.gz QLJVFFUKZCESQJ-UHFFFAOYSA-N 0 0 303.406 2.033 10 30 DEEERN C=CC[C@@H](CC)NC(=O)NC[C@@H]1c2ccccc2C(=O)N1C ZINC000637117965 406181242 /nfs/dbraw/zinc/18/12/42/406181242.db2.gz GNGSWTJOEVSFSG-IUODEOHRSA-N 0 0 301.390 2.467 10 30 DEEERN C=CCCC(C)(C)CNS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000632642229 406210087 /nfs/dbraw/zinc/21/00/87/406210087.db2.gz PKVXBBHPWBSCDD-UHFFFAOYSA-N 0 0 310.419 2.056 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OC(F)F)cn1 ZINC000519708256 406238993 /nfs/dbraw/zinc/23/89/93/406238993.db2.gz QFCXAMLQUACMNX-ONGXEEELSA-N 0 0 313.304 2.396 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000637321746 406257764 /nfs/dbraw/zinc/25/77/64/406257764.db2.gz KJUHTPPCAPIUPZ-HNNXBMFYSA-N 0 0 309.454 2.095 10 30 DEEERN C=C1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)CC1 ZINC000520822842 406318127 /nfs/dbraw/zinc/31/81/27/406318127.db2.gz LLPLIAJWAVCBEH-KRWDZBQOSA-N 0 0 316.401 2.441 10 30 DEEERN CC(=O)N1CCC[C@@H](c2noc(Cc3cccc(C#N)c3)n2)C1 ZINC000546449680 406357949 /nfs/dbraw/zinc/35/79/49/406357949.db2.gz SBYALNWURXPSGJ-OAHLLOKOSA-N 0 0 310.357 2.258 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1nnn(-c2ccc(F)cc2)c1C ZINC000637407742 406297513 /nfs/dbraw/zinc/29/75/13/406297513.db2.gz OTTJBPRCNSNVBJ-KGLIPLIRSA-N 0 0 316.336 2.244 10 30 DEEERN C=CC[C@H]1N(C(=O)NC[C@@H]2COCCN2C)CCCC1(C)C ZINC000637442870 406309123 /nfs/dbraw/zinc/30/91/23/406309123.db2.gz URASQVOTRHDDDD-HUUCEWRRSA-N 0 0 309.454 2.093 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000637620079 406367999 /nfs/dbraw/zinc/36/79/99/406367999.db2.gz DDYMCBOYJCHTAT-CALCHBBNSA-N 0 0 312.454 2.001 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2O)C1 ZINC000633062273 406369790 /nfs/dbraw/zinc/36/97/90/406369790.db2.gz UJSXTPAXGUNPPE-RYUDHWBXSA-N 0 0 317.389 2.223 10 30 DEEERN C=CCNC(=O)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000489112758 406378404 /nfs/dbraw/zinc/37/84/04/406378404.db2.gz YPWRDINPLXHIOU-GFCCVEGCSA-N 0 0 316.323 2.342 10 30 DEEERN C=C(C)CNC(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1 ZINC000489133896 406379894 /nfs/dbraw/zinc/37/98/94/406379894.db2.gz CVCACCNHSNPOAZ-UHFFFAOYSA-N 0 0 317.389 2.165 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cccc2c1OCO2 ZINC000635260827 406478705 /nfs/dbraw/zinc/47/87/05/406478705.db2.gz SFRDABUBEKRIFK-UHFFFAOYSA-N 0 0 318.373 2.462 10 30 DEEERN N#Cc1cnccc1NCCOc1ncccc1C(F)(F)F ZINC000548163147 406487788 /nfs/dbraw/zinc/48/77/88/406487788.db2.gz XBDFXDAISYZZFD-UHFFFAOYSA-N 0 0 308.263 2.280 10 30 DEEERN C=CCCC(C)(C)NC(=O)C(=O)Nc1c2c(ccc1F)OCO2 ZINC000635213393 406462374 /nfs/dbraw/zinc/46/23/74/406462374.db2.gz GRPCAGGDUCLPCA-UHFFFAOYSA-N 0 0 322.336 2.354 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000572151372 406613294 /nfs/dbraw/zinc/61/32/94/406613294.db2.gz PGDOBOWSJARTNU-UGUYLWEFSA-N 0 0 318.421 2.067 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCc2nc(C(C)C)ncc2C1 ZINC000527599913 406683934 /nfs/dbraw/zinc/68/39/34/406683934.db2.gz OTOHGFPYAQCUNB-CABCVRRESA-N 0 0 316.405 2.011 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000573480963 406773265 /nfs/dbraw/zinc/77/32/65/406773265.db2.gz SRCKDSHWVMPHOR-YDHLFZDLSA-N 0 0 306.410 2.415 10 30 DEEERN CCOC(=O)Cc1c(C#N)ccc([N+](=O)[O-])c1OC(F)F ZINC000575387281 406807750 /nfs/dbraw/zinc/80/77/50/406807750.db2.gz HDIJLJALUHLTNK-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN CCOC(=O)Cc1cc(C=O)cc(C#N)c1OC(F)(F)F ZINC000575391320 406808992 /nfs/dbraw/zinc/80/89/92/406808992.db2.gz UCFOTWZADUCWBY-UHFFFAOYSA-N 0 0 301.220 2.375 10 30 DEEERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(C#N)c1OC(F)(F)F ZINC000575395782 406809137 /nfs/dbraw/zinc/80/91/37/406809137.db2.gz QKGYRAQOPSCDQL-UHFFFAOYSA-N 0 0 318.207 2.471 10 30 DEEERN C=CCn1c(COCC)nnc1N1CCC[C@]2(CCCOC2)C1 ZINC000554619345 406818428 /nfs/dbraw/zinc/81/84/28/406818428.db2.gz MAGAHCQYZPWKSO-KRWDZBQOSA-N 0 0 320.437 2.398 10 30 DEEERN N#CC1(CNC(=O)NCc2ccc(Cn3ccnc3)cc2)CC1 ZINC000555685259 406850983 /nfs/dbraw/zinc/85/09/83/406850983.db2.gz QLGYNVYFEHJFNE-UHFFFAOYSA-N 0 0 309.373 2.034 10 30 DEEERN O=C(NCc1cscn1)c1ccc(C#CCCO)c(Cl)c1 ZINC000128905514 196002615 /nfs/dbraw/zinc/00/26/15/196002615.db2.gz FQKYEHRRRXIGGN-UHFFFAOYSA-N 0 0 320.801 2.460 10 30 DEEERN C#CC[C@@H](C)NS(=O)(=O)c1c(Cl)cc(N)cc1Cl ZINC000129210412 196029289 /nfs/dbraw/zinc/02/92/89/196029289.db2.gz DQBIUFRNLXXZTC-SSDOTTSWSA-N 0 0 307.202 2.266 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(NC(=O)CC)cc1 ZINC000130525361 196087459 /nfs/dbraw/zinc/08/74/59/196087459.db2.gz YDCWYUPMHHAECH-UHFFFAOYSA-N 0 0 317.389 2.398 10 30 DEEERN C=CCN(CC=C)S(=O)(=O)c1ccc(N)c2cccnc21 ZINC000130543458 196089773 /nfs/dbraw/zinc/08/97/73/196089773.db2.gz DGXISEJRQQXGKR-UHFFFAOYSA-N 0 0 303.387 2.180 10 30 DEEERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000131500809 196175548 /nfs/dbraw/zinc/17/55/48/196175548.db2.gz ARQDCZLBENBTFP-LBPRGKRZSA-N 0 0 314.389 2.368 10 30 DEEERN C[C@@H](NS(=O)(=O)CCCC#N)c1ccccc1-n1cccn1 ZINC000131826882 196203212 /nfs/dbraw/zinc/20/32/12/196203212.db2.gz SFGPFIYASFZTDZ-CYBMUJFWSA-N 0 0 318.402 2.156 10 30 DEEERN CC(C)CS(=O)(=O)Nc1ccc(Cl)cc1C#CCO ZINC000131960455 196214600 /nfs/dbraw/zinc/21/46/00/196214600.db2.gz WRBAZTVNLXGLQV-UHFFFAOYSA-N 0 0 301.795 2.082 10 30 DEEERN N#C[C@H](NC(=O)[C@H]1COc2ccc(Br)cc21)C1CC1 ZINC000132560501 196265604 /nfs/dbraw/zinc/26/56/04/196265604.db2.gz OVPLOZRFCXALCX-RYUDHWBXSA-N 0 0 321.174 2.343 10 30 DEEERN N#Cc1cnc(N2CCN(Cc3ccc(Cl)cc3)CC2)cn1 ZINC000132983815 196301946 /nfs/dbraw/zinc/30/19/46/196301946.db2.gz UTQAYXJIDXWNNO-UHFFFAOYSA-N 0 0 313.792 2.324 10 30 DEEERN N#C[C@@H](NC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000189375229 225051502 /nfs/dbraw/zinc/05/15/02/225051502.db2.gz VQQSSDRGCNFRBC-OLZOCXBDSA-N 0 0 312.291 2.027 10 30 DEEERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)n1 ZINC000191688950 225114288 /nfs/dbraw/zinc/11/42/88/225114288.db2.gz LRFAIDYVPQYCLY-IINYFYTJSA-N 0 0 305.338 2.013 10 30 DEEERN O=C(c1cccc(O)c1)N1CCN(CC#Cc2ccccc2)CC1 ZINC000192108785 225125510 /nfs/dbraw/zinc/12/55/10/225125510.db2.gz USLNHXBCNHCDHD-UHFFFAOYSA-N 0 0 320.392 2.202 10 30 DEEERN COCCN(C(=O)[C@H]1CCOC[C@@H]1C)c1ccc(C#N)cc1 ZINC000194461019 225181198 /nfs/dbraw/zinc/18/11/98/225181198.db2.gz HSGQEKNGANGTEW-BBRMVZONSA-N 0 0 302.374 2.210 10 30 DEEERN C[C@H](C#N)CN(C)C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000266103112 225337327 /nfs/dbraw/zinc/33/73/27/225337327.db2.gz SECFRUVKGJTPKX-KWCYVHTRSA-N 0 0 300.358 2.179 10 30 DEEERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2ncoc2C)cn1 ZINC000328628150 225775685 /nfs/dbraw/zinc/77/56/85/225775685.db2.gz NKGRHKDHCUYTGC-GXTWGEPZSA-N 0 0 304.350 2.424 10 30 DEEERN O=C(C[C@H]1CCCCC(=O)N1)NCc1nnc2n1CCCC2 ZINC000328647123 225779264 /nfs/dbraw/zinc/77/92/64/225779264.db2.gz HRUQLPYVFUJZAC-LLVKDONJSA-N 0 0 305.382 2.360 10 30 DEEERN CN(C)C1(C#N)CCN(C(=O)NC2CCC3(CC3)CC2)CC1 ZINC000333033567 226100138 /nfs/dbraw/zinc/10/01/38/226100138.db2.gz MWURTZPFVMONTB-UHFFFAOYSA-N 0 0 304.438 2.339 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cnc2ccccc2c1 ZINC000333184496 226102114 /nfs/dbraw/zinc/10/21/14/226102114.db2.gz NPTORYQMGDHYIY-SWLSCSKDSA-N 0 0 301.371 2.205 10 30 DEEERN N#C[C@@H]1CN(C(=O)Nc2cccc3[nH]ccc32)CCN1C1CC1 ZINC000369217813 227027760 /nfs/dbraw/zinc/02/77/60/227027760.db2.gz CIUPVZNUWRQQNZ-CYBMUJFWSA-N 0 0 309.373 2.372 10 30 DEEERN CCn1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c2ccccc21 ZINC000370998837 227061209 /nfs/dbraw/zinc/06/12/09/227061209.db2.gz KXLCNZHLYGPRRH-OAHLLOKOSA-N 0 0 322.412 2.474 10 30 DEEERN CSc1ccccc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000370995313 227061995 /nfs/dbraw/zinc/06/19/95/227061995.db2.gz ZEKZSOLBQUJQKQ-CYBMUJFWSA-N 0 0 301.415 2.221 10 30 DEEERN CSc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)nc1 ZINC000371726434 227078142 /nfs/dbraw/zinc/07/81/42/227078142.db2.gz SZFKNYXBQZRDGN-GFCCVEGCSA-N 0 0 317.418 2.008 10 30 DEEERN Cc1ccc([C@@H]2CCCN2S(=O)(=O)N(C)C[C@H](C)C#N)o1 ZINC000372586098 227094508 /nfs/dbraw/zinc/09/45/08/227094508.db2.gz OPXRYHRZAOQNPH-YPMHNXCESA-N 0 0 311.407 2.061 10 30 DEEERN N#CC[C@@H](CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000373579375 227116037 /nfs/dbraw/zinc/11/60/37/227116037.db2.gz UFRWZGBLJPLAKX-WMZOPIPTSA-N 0 0 322.412 2.273 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](n2cccn2)C1 ZINC000291256957 222262761 /nfs/dbraw/zinc/26/27/61/222262761.db2.gz OHVXWKAZYHECGK-ROUUACIJSA-N 0 0 322.412 2.474 10 30 DEEERN N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1c(F)cccc1Cl ZINC000408245607 227229074 /nfs/dbraw/zinc/22/90/74/227229074.db2.gz WSURFYRKIUVYOK-LDYMZIIASA-N 0 0 302.758 2.450 10 30 DEEERN N#CC1(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)CCCCC1 ZINC000408308273 227230770 /nfs/dbraw/zinc/23/07/70/227230770.db2.gz VCYFPCSVKMDTDQ-CYBMUJFWSA-N 0 0 304.312 2.376 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1F ZINC000408340665 227232068 /nfs/dbraw/zinc/23/20/68/227232068.db2.gz OYURJYQXTSBLPA-WCBMZHEXSA-N 0 0 302.758 2.450 10 30 DEEERN C=CCNc1ncc(C(=O)N(C)Cc2cnn(C)c2C)s1 ZINC000515204637 421486421 /nfs/dbraw/zinc/48/64/21/421486421.db2.gz ISVDWILHUTZOMB-UHFFFAOYSA-N 0 0 305.407 2.055 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccc(C2CC2)nn1 ZINC000635261505 421866004 /nfs/dbraw/zinc/86/60/04/421866004.db2.gz CJMUMZLSNBMMSN-UHFFFAOYSA-N 0 0 316.405 2.401 10 30 DEEERN C=CCCO[C@@H](C)C(=O)Nc1n[nH]c(C)c1Br ZINC000616010214 422501822 /nfs/dbraw/zinc/50/18/22/422501822.db2.gz IBOLQKGHNNYJIG-QMMMGPOBSA-N 0 0 302.172 2.400 10 30 DEEERN CN(CC1CC1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000358680401 424824410 /nfs/dbraw/zinc/82/44/10/424824410.db2.gz NRZCPQQLCYNIMR-UHFFFAOYSA-N 0 0 313.336 2.757 10 30 DEEERN C=CCN(Cc1ccccc1)C(=O)Nc1nnc(OC)s1 ZINC000356464992 424810902 /nfs/dbraw/zinc/81/09/02/424810902.db2.gz VDSVOCGOFZASNX-UHFFFAOYSA-N 0 0 304.375 2.767 10 30 DEEERN C=CCN(CC=C)C(=O)NCCNc1cc(C)nc(C(C)C)n1 ZINC000637415599 424852698 /nfs/dbraw/zinc/85/26/98/424852698.db2.gz XDNPUOXTIBTMSB-UHFFFAOYSA-N 0 0 317.437 2.704 10 30 DEEERN C=CCCCN(C)C(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000369923646 424877010 /nfs/dbraw/zinc/87/70/10/424877010.db2.gz OHNBTJHXDFAYNN-UHFFFAOYSA-N 0 0 306.395 2.667 10 30 DEEERN C=CCCCN(C)C(=O)Nc1ccn(-c2ncccc2F)n1 ZINC000366887725 424865123 /nfs/dbraw/zinc/86/51/23/424865123.db2.gz YFYSBNGXOAOHEX-UHFFFAOYSA-N 0 0 303.341 2.836 10 30 DEEERN C=CC[C@H](CC)NC(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000374072276 424889006 /nfs/dbraw/zinc/88/90/06/424889006.db2.gz OIBGGRGHNUWCSB-VIFPVBQESA-N 0 0 306.395 2.713 10 30 DEEERN C=CCN(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000429546939 425008600 /nfs/dbraw/zinc/00/86/00/425008600.db2.gz JMASYHFLJGNOJB-UHFFFAOYSA-N 0 0 315.764 3.047 10 30 DEEERN C=CCC1(CNc2ccnc(N3CCOCC3)n2)CCCC1 ZINC000577459912 424953387 /nfs/dbraw/zinc/95/33/87/424953387.db2.gz PBYWKENQLBNDMS-UHFFFAOYSA-N 0 0 302.422 2.862 10 30 DEEERN C=CCN(CCC#N)C(=O)Nc1nnc(CCC(C)C)s1 ZINC000596964318 425030630 /nfs/dbraw/zinc/03/06/30/425030630.db2.gz LLNSKVRTYVDWFH-UHFFFAOYSA-N 0 0 307.423 3.060 10 30 DEEERN C=C[C@@](C)(CC)C(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1 ZINC000598545165 425039014 /nfs/dbraw/zinc/03/90/14/425039014.db2.gz FQGGHJXQOWLPMY-INIZCTEOSA-N 0 0 307.394 2.766 10 30 DEEERN COc1cc(F)cc(C[C@H](C)Nc2nc(C)cc(C#N)n2)c1 ZINC000450951749 425083466 /nfs/dbraw/zinc/08/34/66/425083466.db2.gz QNTIMIHNXXMFID-JTQLQIEISA-N 0 0 300.337 2.848 10 30 DEEERN COC(=O)C1(NC(=O)Cc2cccc(C#N)c2)CCCCC1 ZINC000531384848 267356500 /nfs/dbraw/zinc/35/65/00/267356500.db2.gz RMJRJDGDGNBLGD-UHFFFAOYSA-N 0 0 300.358 2.093 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2ccc(-n3ccnn3)cc2)c1 ZINC000531391207 268277900 /nfs/dbraw/zinc/27/79/00/268277900.db2.gz IYUPQCRLBVEPPW-UHFFFAOYSA-N 0 0 303.325 2.320 10 30 DEEERN CCC1(CC)CN(c2ccc(C)c(C#N)n2)CCS1(=O)=O ZINC000408464063 276216927 /nfs/dbraw/zinc/21/69/27/276216927.db2.gz DHMAEKPLCOBZSN-UHFFFAOYSA-N 0 0 307.419 2.055 10 30 DEEERN C=C[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000487339074 276924670 /nfs/dbraw/zinc/92/46/70/276924670.db2.gz UGXVUIVNHMZVIT-VIFPVBQESA-N 0 0 302.377 2.386 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000366674834 277795996 /nfs/dbraw/zinc/79/59/96/277795996.db2.gz AJFDEJYWMHAZIZ-CBZIJGRNSA-N 0 0 322.449 2.304 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@]2(CCCO2)[C@@H]1C(C)C ZINC000334107909 277903221 /nfs/dbraw/zinc/90/32/21/277903221.db2.gz ZKUROPRRNBVZEB-WBTNSWJXSA-N 0 0 308.422 2.319 10 30 DEEERN C[C@@H]1CN(C(=O)c2cc(C#N)cn2C)[C@@H](c2ccccc2)CO1 ZINC000081550690 288015000 /nfs/dbraw/zinc/01/50/00/288015000.db2.gz NBUPMMCBXOFCKQ-CXAGYDPISA-N 0 0 309.369 2.499 10 30 DEEERN CC(=O)Nc1ccn([C@@H]2CCN(c3ncc(C)c(C)n3)C2)n1 ZINC000328610138 278162181 /nfs/dbraw/zinc/16/21/81/278162181.db2.gz GOJKPVCIRRCKJO-CYBMUJFWSA-N 0 0 300.366 2.349 10 30 DEEERN Cc1cc(Cl)ccc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371972068 278693187 /nfs/dbraw/zinc/69/31/87/278693187.db2.gz CCNLHVFJEULZEB-AWEZNQCLSA-N 0 0 303.793 2.461 10 30 DEEERN N#Cc1cc(F)c(C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)c(F)c1 ZINC000163229420 279503454 /nfs/dbraw/zinc/50/34/54/279503454.db2.gz NQIQMHAGOKBPJD-RISCZKNCSA-N 0 0 306.312 2.478 10 30 DEEERN CCC[C@H](CCO)CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000074736845 281554731 /nfs/dbraw/zinc/55/47/31/281554731.db2.gz SMIMYDHPRQYTMU-OAHLLOKOSA-N 0 0 319.405 2.035 10 30 DEEERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)C(C)(C)C#N ZINC000176537318 289698543 /nfs/dbraw/zinc/69/85/43/289698543.db2.gz CBFDZWGFCGFKFD-ZDUSSCGKSA-N 0 0 321.446 2.130 10 30 DEEERN O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000329680361 295383750 /nfs/dbraw/zinc/38/37/50/295383750.db2.gz WIMBPGGARUDWGF-UKRRQHHQSA-N 0 0 300.406 2.446 10 30 DEEERN N#Cc1ccc(N2CCC[C@H]2c2nnc3n2CCCCC3)nn1 ZINC000301924843 303194186 /nfs/dbraw/zinc/19/41/86/303194186.db2.gz MHEQYXXHSLGBIL-ZDUSSCGKSA-N 0 0 309.377 2.008 10 30 DEEERN CO[C@H]1C[C@@H](CN(C)c2cc(C#N)c3ccccc3n2)[N@H+](C)C1 ZINC000575940236 326258018 /nfs/dbraw/zinc/25/80/18/326258018.db2.gz MXRIESCYSRJNKW-GJZGRUSLSA-N 0 0 310.401 2.262 10 30 DEEERN C=CCn1c(C)nnc1N1CCC(Cn2cc(C)cn2)CC1 ZINC000558672849 331933554 /nfs/dbraw/zinc/93/35/54/331933554.db2.gz DKQRBQIONYJLOE-UHFFFAOYSA-N 0 0 300.410 2.194 10 30 DEEERN C=CCn1c(CC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000558678163 331934264 /nfs/dbraw/zinc/93/42/64/331934264.db2.gz ZMYNBTZJTRYEPT-KEYYUXOJSA-N 0 0 320.437 2.189 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000560566063 332360339 /nfs/dbraw/zinc/36/03/39/332360339.db2.gz PUIWAPGRWXSMGS-OTJKEOIZSA-N 0 0 308.422 2.055 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)C1CC(C)(C)C1 ZINC000562739345 332620995 /nfs/dbraw/zinc/62/09/95/332620995.db2.gz AIALILBVFSSJKI-ZDUSSCGKSA-N 0 0 306.410 2.177 10 30 DEEERN C=C(C)Cn1c(N2CCC(CO)CC2)nnc1[C@]1(C)CCCO1 ZINC000570042926 332706140 /nfs/dbraw/zinc/70/61/40/332706140.db2.gz QAXIFCBKQALCQD-KRWDZBQOSA-N 0 0 320.437 2.089 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(N2CCCC2=O)c1 ZINC000570272902 332732741 /nfs/dbraw/zinc/73/27/41/332732741.db2.gz HEHUUTIAJQPWFQ-HOCLYGCPSA-N 0 0 314.385 2.134 10 30 DEEERN C=CCn1c(C(=O)N2CCCC2)nnc1N1CCCCC[C@@H]1C ZINC000570437987 332755211 /nfs/dbraw/zinc/75/52/11/332755211.db2.gz KVBWSVCRTPWRSK-AWEZNQCLSA-N 0 0 317.437 2.469 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000562996151 333025941 /nfs/dbraw/zinc/02/59/41/333025941.db2.gz ITJMRKBUAJCVQH-DHSIGJKJSA-N 0 0 314.385 2.435 10 30 DEEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000362343351 333051551 /nfs/dbraw/zinc/05/15/51/333051551.db2.gz RGNVVQCKYGAOGB-ZBEGNZNMSA-N 0 0 307.394 2.303 10 30 DEEERN C=C(C)CN(Cc1ccccc1)C(=O)CNC(=O)c1cccnc1 ZINC000352190211 336200507 /nfs/dbraw/zinc/20/05/07/336200507.db2.gz LXHUWHBMQJOXEC-UHFFFAOYSA-N 0 0 323.396 2.416 10 30 DEEERN N#CCc1ccnc(NC(=O)c2cc(-c3cccnc3)on2)c1 ZINC000532434482 336247107 /nfs/dbraw/zinc/24/71/07/336247107.db2.gz ZLXRNHGDJBOLJL-UHFFFAOYSA-N 0 0 305.297 2.450 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000582237532 336389810 /nfs/dbraw/zinc/38/98/10/336389810.db2.gz UAACMGIDJQHIGY-AVGNSLFASA-N 0 0 323.405 2.322 10 30 DEEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCCc2nn(C)cc21 ZINC000367194669 336497997 /nfs/dbraw/zinc/49/79/97/336497997.db2.gz KOXPYZZEGRCWEH-SNVBAGLBSA-N 0 0 301.312 2.417 10 30 DEEERN C=CCN(CCOC)C(=O)c1ccnc(N2CC[C@H](C)C2)c1 ZINC000361076784 336737504 /nfs/dbraw/zinc/73/75/04/336737504.db2.gz SHHDHQOAFDOHCM-AWEZNQCLSA-N 0 0 303.406 2.202 10 30 DEEERN C#CCC(C)(C)C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000185276480 337203860 /nfs/dbraw/zinc/20/38/60/337203860.db2.gz FYTDUYBAAGMBPK-UHFFFAOYSA-N 0 0 317.389 2.210 10 30 DEEERN N#Cc1cnccc1NCCCOCCOCc1ccccc1 ZINC000399429001 337316693 /nfs/dbraw/zinc/31/66/93/337316693.db2.gz HYRDDGIBHPNRHO-UHFFFAOYSA-N 0 0 311.385 2.411 10 30 DEEERN CC(=O)N[C@@H]1C[C@H](C)CN(c2ccc(C#N)c3ncccc23)C1 ZINC000584591044 337373444 /nfs/dbraw/zinc/37/34/44/337373444.db2.gz ODIUXRLSZQWVJO-SWLSCSKDSA-N 0 0 308.385 2.457 10 30 DEEERN N#Cc1ccnc(OCCNC(=O)c2c(F)cccc2F)c1 ZINC000584592430 337373558 /nfs/dbraw/zinc/37/35/58/337373558.db2.gz FMKLFZYCFJOEAR-UHFFFAOYSA-N 0 0 303.268 2.040 10 30 DEEERN C=CCn1c(C)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000571927937 337582059 /nfs/dbraw/zinc/58/20/59/337582059.db2.gz UJIDZHFVUJOFNY-OAHLLOKOSA-N 0 0 300.362 2.056 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000572337427 337611058 /nfs/dbraw/zinc/61/10/58/337611058.db2.gz MQXXXQMNIANPBJ-IAGOWNOFSA-N 0 0 316.401 2.443 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CC[C@](C)(CC)C1 ZINC000580453588 337677645 /nfs/dbraw/zinc/67/76/45/337677645.db2.gz NVBXLGYALQHDBK-CJNGLKHVSA-N 0 0 306.410 2.178 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCc2nc(C(C)C)ncc2C1 ZINC000527625940 337752731 /nfs/dbraw/zinc/75/27/31/337752731.db2.gz HOYOTQKWSNYCFU-HIFRSBDPSA-N 0 0 301.390 2.076 10 30 DEEERN C=CCCCCCNC(=O)NCc1nc(-c2ccccn2)n[nH]1 ZINC000515180087 337981645 /nfs/dbraw/zinc/98/16/45/337981645.db2.gz WONXEYNVKGCLQL-UHFFFAOYSA-N 0 0 314.393 2.412 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1ccncc1OC ZINC000515348862 337986599 /nfs/dbraw/zinc/98/65/99/337986599.db2.gz POHJFUFSYSKGPW-DYEKYZERSA-N 0 0 305.378 2.042 10 30 DEEERN C=CCn1cc(CNC(=O)N[C@H](C)c2ccc(C)c(F)c2)nn1 ZINC000516280923 338009736 /nfs/dbraw/zinc/00/97/36/338009736.db2.gz QURAHLGHFMMNJE-GFCCVEGCSA-N 0 0 317.368 2.472 10 30 DEEERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NCCCCC#N)C1 ZINC000173134933 340358919 /nfs/dbraw/zinc/35/89/19/340358919.db2.gz SLRCGQLVAXROSV-QWHCGFSZSA-N 0 0 309.410 2.490 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(OCC)c(F)c1 ZINC000516909516 340458629 /nfs/dbraw/zinc/45/86/29/340458629.db2.gz HYPXYSXCMTWCML-KGLIPLIRSA-N 0 0 308.353 2.367 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CC[S@@](=O)C(CC)(CC)C1 ZINC000186735056 340515488 /nfs/dbraw/zinc/51/54/88/340515488.db2.gz QLIBKEZSJVUPIW-ZUOKHONESA-N 0 0 301.452 2.117 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCc1ccc(OC(C)C)cc1 ZINC000540606706 340938316 /nfs/dbraw/zinc/93/83/16/340938316.db2.gz NODKCELKUHVCIM-HNNXBMFYSA-N 0 0 306.406 2.253 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CCOc1ccc(F)c(Cl)c1 ZINC000547404443 341211357 /nfs/dbraw/zinc/21/13/57/341211357.db2.gz KCTKFBZPPDGUFJ-JTQLQIEISA-N 0 0 301.745 2.301 10 30 DEEERN C=C[C@](C)(CC)C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000134978732 341227699 /nfs/dbraw/zinc/22/76/99/341227699.db2.gz LSTPEIBSLXXLDI-SUMWQHHRSA-N 0 0 306.381 2.188 10 30 DEEERN C=C[C@@](C)(CC)C(=O)NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000135108398 341231130 /nfs/dbraw/zinc/23/11/30/341231130.db2.gz FNEODUFSTPTGSO-KRWDZBQOSA-N 0 0 314.389 2.494 10 30 DEEERN Cn1c(CCOc2ccccc2)nnc1N1CCC(C#N)CC1 ZINC000548966647 341282464 /nfs/dbraw/zinc/28/24/64/341282464.db2.gz NCTMKLHWBMZAQG-UHFFFAOYSA-N 0 0 311.389 2.177 10 30 DEEERN C[C@H](C#N)CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000248463668 341378481 /nfs/dbraw/zinc/37/84/81/341378481.db2.gz YZVROUDAEFRCJW-KMUNFCNLSA-N 0 0 322.359 2.169 10 30 DEEERN CC(C)[C@H]1OCCC[C@H]1Nc1nccc(N(C)CCC#N)n1 ZINC000572548983 341467642 /nfs/dbraw/zinc/46/76/42/341467642.db2.gz ZPYXGEOGSFDBPD-UKRRQHHQSA-N 0 0 303.410 2.442 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC000573000014 341712917 /nfs/dbraw/zinc/71/29/17/341712917.db2.gz HZOMVYUIKGHSJQ-QLFBSQMISA-N 0 0 318.421 2.321 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CCC ZINC000580641613 341890974 /nfs/dbraw/zinc/89/09/74/341890974.db2.gz CWABAQILAJGFFA-JONQDZQNSA-N 0 0 322.449 2.169 10 30 DEEERN Cc1c(C(=O)Nc2cc(C#N)ccn2)nnn1-c1ccccc1 ZINC000436008098 533821584 /nfs/dbraw/zinc/82/15/84/533821584.db2.gz SGWSUCSIMVMCCS-UHFFFAOYSA-N 0 0 304.313 2.095 10 30 DEEERN CS[C@@H]1CCC[C@H](NC(=O)N2CCc3cncnc3C2)C1 ZINC000329622751 533951182 /nfs/dbraw/zinc/95/11/82/533951182.db2.gz FWCDDNREAADQPN-QWHCGFSZSA-N 0 0 306.435 2.423 10 30 DEEERN Cc1cc(Nc2nccc(C#N)c2[N+](=O)[O-])ccc1OCCO ZINC000302138050 534005744 /nfs/dbraw/zinc/00/57/44/534005744.db2.gz DPWYDXXEZLMBDF-UHFFFAOYSA-N 0 0 314.301 2.285 10 30 DEEERN C[C@H]1CCC[C@@](C#N)(NC(=O)C2CN(CC(F)(F)F)C2)C1 ZINC000408350885 534181382 /nfs/dbraw/zinc/18/13/82/534181382.db2.gz AVYSDWVJYJRXSD-GXFFZTMASA-N 0 0 303.328 2.069 10 30 DEEERN CC1(C)CN(Cc2ccc(C#N)c(F)c2)C[C@@]2(CCOC2)O1 ZINC000368445274 520477155 /nfs/dbraw/zinc/47/71/55/520477155.db2.gz GDWGUNKPCFDMFN-QGZVFWFLSA-N 0 0 304.365 2.467 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CCCN(c2ccccc2)CC1 ZINC000448753534 534674785 /nfs/dbraw/zinc/67/47/85/534674785.db2.gz WMQUQNJMNRRPJD-UHFFFAOYSA-N 0 0 308.385 2.249 10 30 DEEERN O=C(C[C@@H]1CCCCNC1=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000329532220 534686117 /nfs/dbraw/zinc/68/61/17/534686117.db2.gz JUEALDIGYVEJSE-WCQYABFASA-N 0 0 307.394 2.243 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)N1CCC(OCC(C)C)CC1 ZINC000460064718 534698101 /nfs/dbraw/zinc/69/81/01/534698101.db2.gz SNSPNTFAZJJNNW-UHFFFAOYSA-N 0 0 310.438 2.075 10 30 DEEERN C=CCCCS(=O)(=O)NCCOc1ccc(F)cc1F ZINC000489187130 534742732 /nfs/dbraw/zinc/74/27/32/534742732.db2.gz JQWJXICYDFAJNE-UHFFFAOYSA-N 0 0 305.346 2.229 10 30 DEEERN C[C@@H](C(=O)OC(C)(C)C)N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156633122 524302031 /nfs/dbraw/zinc/30/20/31/524302031.db2.gz QTARYBHJBCAYIM-WFASDCNBSA-N 0 0 304.390 2.254 10 30 DEEERN Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)CC#N)C(C)C ZINC000194722055 534796860 /nfs/dbraw/zinc/79/68/60/534796860.db2.gz WABQQPSINUYOCC-DZGCQCFKSA-N 0 0 301.390 2.168 10 30 DEEERN C[C@@H]1C[C@@H](C(=O)NCCOc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000247297450 525187918 /nfs/dbraw/zinc/18/79/18/525187918.db2.gz ZMIKZFMCMOMSGZ-AGGWBTHJSA-N 0 0 302.374 2.257 10 30 DEEERN Cc1cc(-n2c(C)cc(C(=O)Cn3ccnc3C#N)c2C)no1 ZINC000124002696 526070202 /nfs/dbraw/zinc/07/02/02/526070202.db2.gz IOYXXRQXMOCAFD-UHFFFAOYSA-N 0 0 309.329 2.342 10 30 DEEERN CC#CCCCC(=O)N1CCCN(C(=O)c2ccoc2)CC1 ZINC000372012729 526291856 /nfs/dbraw/zinc/29/18/56/526291856.db2.gz XFFOYQZEDRQKNW-UHFFFAOYSA-N 0 0 302.374 2.148 10 30 DEEERN CC#CCCCC(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000360582950 526292773 /nfs/dbraw/zinc/29/27/73/526292773.db2.gz ROILKPMRFUWFQI-QGZVFWFLSA-N 0 0 301.386 2.486 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCOC ZINC000063398955 526348664 /nfs/dbraw/zinc/34/86/64/526348664.db2.gz FGWUKVWQPCBETD-UHFFFAOYSA-N 0 0 307.350 2.329 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)N3CCC(=C)CC3)cc2C1=O ZINC000342097806 526408101 /nfs/dbraw/zinc/40/81/01/526408101.db2.gz STIUOWNVHTXION-UHFFFAOYSA-N 0 0 310.353 2.261 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)Cc2cnc3ccccc3c2)C1=O ZINC000281510004 526462128 /nfs/dbraw/zinc/46/21/28/526462128.db2.gz WMCZGGCCJAAZDA-QGZVFWFLSA-N 0 0 323.396 2.023 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000339734538 526480122 /nfs/dbraw/zinc/48/01/22/526480122.db2.gz WYQSRRYIYQRSJS-LLVKDONJSA-N 0 0 308.353 2.046 10 30 DEEERN C=C(C)CN(C)C(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000181644930 526489591 /nfs/dbraw/zinc/48/95/91/526489591.db2.gz MXSJSNYICFJWEB-ZDUSSCGKSA-N 0 0 314.389 2.003 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)C/C=C\c2cccc(F)c2)C1=O ZINC000341644827 526490794 /nfs/dbraw/zinc/49/07/94/526490794.db2.gz RIMLXRJORXGTOQ-WRLNGNIRSA-N 0 0 316.376 2.474 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H]1c1cnn(C)c1 ZINC000247514702 526536557 /nfs/dbraw/zinc/53/65/57/526536557.db2.gz MVAVGQQGRSATRU-ZBFHGGJFSA-N 0 0 304.438 2.370 10 30 DEEERN C=CCNC(=O)CN1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000247521789 526542712 /nfs/dbraw/zinc/54/27/12/526542712.db2.gz NLNZEECGWOBIQH-RDJZCZTQSA-N 0 0 302.418 2.367 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCc1ccnn1C ZINC000342363785 526555122 /nfs/dbraw/zinc/55/51/22/526555122.db2.gz APWULZQXSFZJMD-UHFFFAOYSA-N 0 0 317.389 2.043 10 30 DEEERN C=CCNC(=O)CNC(=O)c1ccc(C(F)(F)F)c(F)c1C ZINC000442668167 526566116 /nfs/dbraw/zinc/56/61/16/526566116.db2.gz CDLQFALRGXZVGF-UHFFFAOYSA-N 0 0 318.270 2.185 10 30 DEEERN C=CCNC(=O)[C@@H](C)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000245927345 526625263 /nfs/dbraw/zinc/62/52/63/526625263.db2.gz XULWXVYEGZMVOA-CZUORRHYSA-N 0 0 306.381 2.198 10 30 DEEERN CC(C)(C)[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C[C@H]1O ZINC000408150064 526671077 /nfs/dbraw/zinc/67/10/77/526671077.db2.gz UBNHSWGRRFEQGD-HUUCEWRRSA-N 0 0 321.465 2.058 10 30 DEEERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000370365038 526687516 /nfs/dbraw/zinc/68/75/16/526687516.db2.gz IYYBCVCXSGOTEA-INIZCTEOSA-N 0 0 311.385 2.116 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000341486088 526698141 /nfs/dbraw/zinc/69/81/41/526698141.db2.gz MQYFTIHOCSHTOX-CYBMUJFWSA-N 0 0 306.381 2.203 10 30 DEEERN C=C(C)Cn1c(-c2cccn2C)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000338849880 526718915 /nfs/dbraw/zinc/71/89/15/526718915.db2.gz 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528197656 /nfs/dbraw/zinc/19/76/56/528197656.db2.gz WKFLMGXMAWBAND-BLLSQUSRSA-N 0 0 317.433 2.222 10 30 DEEERN CC(C)c1noc2ncc(C(=O)N[C@@H]3CC[S@@](=O)C3)cc21 ZINC000330010756 528512967 /nfs/dbraw/zinc/51/29/67/528512967.db2.gz HGSPRXREZLPSJM-LADRHHBVSA-N 0 0 307.375 2.172 10 30 DEEERN CCCCS(=O)(=O)c1ccc(C(=O)N[C@H](C#N)C2CC2)cc1 ZINC000192350136 528730450 /nfs/dbraw/zinc/73/04/50/528730450.db2.gz XPHUOBWQHNFXGA-OAHLLOKOSA-N 0 0 320.414 2.292 10 30 DEEERN CC1(C#N)CCN(C(=O)NCc2cnc3n2CCCC3)CC1 ZINC000375179217 528837725 /nfs/dbraw/zinc/83/77/25/528837725.db2.gz HZOLLOHSBBCYHT-UHFFFAOYSA-N 0 0 301.394 2.055 10 30 DEEERN CC1(C)C(=O)NC(=O)N1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000329762284 528876423 /nfs/dbraw/zinc/87/64/23/528876423.db2.gz SMDLFPWMMZTZDM-UHFFFAOYSA-N 0 0 319.317 2.217 10 30 DEEERN CC(C)[C@H](NC(=O)c1ccc(C#N)n1C)c1nc(C2CC2)no1 ZINC000448891162 529109290 /nfs/dbraw/zinc/10/92/90/529109290.db2.gz PWVCPYFYWVUGNX-ZDUSSCGKSA-N 0 0 313.361 2.284 10 30 DEEERN CC[C@H](CC#N)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000183887161 529298865 /nfs/dbraw/zinc/29/88/65/529298865.db2.gz FAHQWGJLQDOWGD-OCCSQVGLSA-N 0 0 319.430 2.090 10 30 DEEERN CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(F)F ZINC000452268606 535837876 /nfs/dbraw/zinc/83/78/76/535837876.db2.gz YEYLHYHNIKCQSW-LKFCYVNXSA-N 0 0 304.337 2.408 10 30 DEEERN COCCCNC(=O)[C@H](C#N)C(=O)C[C@H](C)C1CCCCC1 ZINC000102117691 649925409 /nfs/dbraw/zinc/92/54/09/649925409.db2.gz GPUJJXBITFRWAQ-DZGCQCFKSA-N 0 0 308.422 2.454 10 30 DEEERN COCCCNC(=O)[C@@H](C#N)C(=O)C[C@H](C)C1CCCCC1 ZINC000102117698 649925656 /nfs/dbraw/zinc/92/56/56/649925656.db2.gz GPUJJXBITFRWAQ-ZFWWWQNUSA-N 0 0 308.422 2.454 10 30 DEEERN N#CC1(COC(=O)c2noc3c2CCCCC3)CCOCC1 ZINC000159649280 625352103 /nfs/dbraw/zinc/35/21/03/625352103.db2.gz YEVBPZVFIHNQKS-UHFFFAOYSA-N 0 0 304.346 2.421 10 30 DEEERN N#CCSCC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000053351904 625468849 /nfs/dbraw/zinc/46/88/49/625468849.db2.gz LMUUIHIINXYXPH-UHFFFAOYSA-N 0 0 317.414 2.076 10 30 DEEERN CC(C)[C@@H](C#N)OC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000255632940 625573210 /nfs/dbraw/zinc/57/32/10/625573210.db2.gz ZQNMVXBKCZDUFF-DEBLGDTFSA-N 0 0 322.386 2.163 10 30 DEEERN N#C[C@@H](OC(=O)c1cc(N2CCCC2=O)ccc1F)C1CC1 ZINC000177034780 625619697 /nfs/dbraw/zinc/61/96/97/625619697.db2.gz BROTZQDCVDWHAR-CQSZACIVSA-N 0 0 302.305 2.411 10 30 DEEERN CC1CCC(N2C[C@@H](C(=O)O[C@@H](C#N)C3CC3)CC2=O)CC1 ZINC000177042198 625622473 /nfs/dbraw/zinc/62/24/73/625622473.db2.gz JUJOLTLZPBYIPH-CDFKWJNJSA-N 0 0 304.390 2.259 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)Nc1ccc(C(=O)NCC)nn1 ZINC000804810677 623251384 /nfs/dbraw/zinc/25/13/84/623251384.db2.gz YLXZWZMJWHSBAM-HNNXBMFYSA-N 0 0 308.385 2.273 10 30 DEEERN CCC(C)(C)NC(=O)CON=CC(=O)Nc1ccc(F)cc1 ZINC000255361567 624192788 /nfs/dbraw/zinc/19/27/88/624192788.db2.gz NMIXNFPPAAFYMS-UHFFFAOYSA-N 0 0 309.341 2.071 10 30 DEEERN CCOC(=O)N1CCC[C@@H](C(=O)OCC#Cc2ccccc2)C1 ZINC000121561262 624586060 /nfs/dbraw/zinc/58/60/60/624586060.db2.gz TUDUSNFEPFFCNA-MRXNPFEDSA-N 0 0 315.369 2.450 10 30 DEEERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000888077737 625056454 /nfs/dbraw/zinc/05/64/54/625056454.db2.gz RKVWFIQAMYIWKR-TZMCWYRMSA-N 0 0 314.320 2.023 10 30 DEEERN CC(=O)N1CCC[C@H](C(=O)OC[C@H](C#N)Cc2cccs2)C1 ZINC000180109614 625112369 /nfs/dbraw/zinc/11/23/69/625112369.db2.gz SYWSCIFHOMCEFL-KBPBESRZSA-N 0 0 320.414 2.232 10 30 DEEERN C=CCCO[C@@H](C)C(=O)O[C@H](CNC(C)=O)c1ccccc1 ZINC000177981863 625116092 /nfs/dbraw/zinc/11/60/92/625116092.db2.gz QEYLXZOZEGLYAE-XJKSGUPXSA-N 0 0 305.374 2.388 10 30 DEEERN C#CCOc1cccc([C@H](C)OC(=O)c2cccn(C)c2=O)c1 ZINC000733698020 633270217 /nfs/dbraw/zinc/27/02/17/633270217.db2.gz QCOFNJCEFXPBNZ-ZDUSSCGKSA-N 0 0 311.337 2.315 10 30 DEEERN C=C(COC(=O)c1c(C)[nH]c(C(=O)OCC)c1C)C(=O)OCC ZINC000734022665 633316656 /nfs/dbraw/zinc/31/66/56/633316656.db2.gz GKOIAZAUYUXIOO-UHFFFAOYSA-N 0 0 323.345 2.084 10 30 DEEERN C=CC[C@@H](NS(=O)(=O)N1CCC[C@@H](C)C1)c1ccncc1 ZINC000734500764 633380794 /nfs/dbraw/zinc/38/07/94/633380794.db2.gz GAVPBFYIXYKQCJ-UKRRQHHQSA-N 0 0 309.435 2.265 10 30 DEEERN CCOc1ccccc1CCC(=O)[C@@H](C#N)C(=O)N1CCCC1 ZINC000124745003 633413890 /nfs/dbraw/zinc/41/38/90/633413890.db2.gz YYJDHGTZFFTTSY-OAHLLOKOSA-N 0 0 314.385 2.349 10 30 DEEERN N#C[C@@H](C(=O)Cc1ccc(OC(F)F)cc1)C(=O)N1CCCC1 ZINC000124748509 633414042 /nfs/dbraw/zinc/41/40/42/633414042.db2.gz KWCDUWJBDILYSX-ZDUSSCGKSA-N 0 0 322.311 2.162 10 30 DEEERN C=CCNC(=S)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000735244378 633493867 /nfs/dbraw/zinc/49/38/67/633493867.db2.gz QTNNYXDANVUIKE-CYBMUJFWSA-N 0 0 305.447 2.314 10 30 DEEERN CC(=O)c1cnc(NC(=O)COc2cccc(C#N)c2)s1 ZINC000736153165 633566567 /nfs/dbraw/zinc/56/65/67/633566567.db2.gz NKRFZIDQHIQWBF-UHFFFAOYSA-N 0 0 301.327 2.235 10 30 DEEERN C=C(Br)CNC(=O)NC[C@](C)(O)CCC(C)C ZINC000077797342 633709116 /nfs/dbraw/zinc/70/91/16/633709116.db2.gz MOILLLUFBKAZFG-GFCCVEGCSA-N 0 0 307.232 2.381 10 30 DEEERN Cc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c2n[nH]cc21 ZINC000736995398 635192116 /nfs/dbraw/zinc/19/21/16/635192116.db2.gz YRCTWUIJSJDYLL-ZDUSSCGKSA-N 0 0 324.388 2.075 10 30 DEEERN O=C(NC[C@@H]1COCCO1)N[C@H]1CCCc2cc(F)ccc21 ZINC000329144622 636528698 /nfs/dbraw/zinc/52/86/98/636528698.db2.gz WLQDJUVWANUWCF-HIFRSBDPSA-N 0 0 308.353 2.122 10 30 DEEERN CCN(C[C@H](C)C#N)Cn1ncc2cc(C(=O)OC)ccc21 ZINC000726961287 637332068 /nfs/dbraw/zinc/33/20/68/637332068.db2.gz KHJREFNBNUXNKJ-GFCCVEGCSA-N 0 0 300.362 2.262 10 30 DEEERN C#CCOc1ccccc1OC(=O)c1ccn(CC(F)F)n1 ZINC000192818182 637546720 /nfs/dbraw/zinc/54/67/20/637546720.db2.gz JXIBWMGWTJUOOO-UHFFFAOYSA-N 0 0 306.268 2.379 10 30 DEEERN CC#CCCCCOC(=O)CN1C(=O)c2ccc(C)cc2C1=O ZINC000183957234 637555899 /nfs/dbraw/zinc/55/58/99/637555899.db2.gz JRGTVHUQGFYSJF-UHFFFAOYSA-N 0 0 313.353 2.328 10 30 DEEERN C[C@@]1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCc2ccccc2C1 ZINC000742664023 638084123 /nfs/dbraw/zinc/08/41/23/638084123.db2.gz BULLBNJXHCOGQX-AZUAARDMSA-N 0 0 323.440 2.380 10 30 DEEERN N#C[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CCN1C1CC1 ZINC000743643225 638164175 /nfs/dbraw/zinc/16/41/75/638164175.db2.gz XGNRRYBIVYMXOB-BRWVUGGUSA-N 0 0 316.449 2.337 10 30 DEEERN COc1ccc(CNc2ncc([N+](=O)[O-])cc2C#N)cc1C#N ZINC000746710018 638371631 /nfs/dbraw/zinc/37/16/31/638371631.db2.gz IESNVQPTVLQNEQ-UHFFFAOYSA-N 0 0 309.285 2.354 10 30 DEEERN COc1ccc(CNC(=O)N(C)C[C@H]2CCCOC2)cc1C#N ZINC000746785582 638377722 /nfs/dbraw/zinc/37/77/22/638377722.db2.gz QRLZCQSXYONGIA-CQSZACIVSA-N 0 0 317.389 2.135 10 30 DEEERN COc1ccc(CNC(=O)Cc2csc(C)n2)cc1C#N ZINC000746878461 638383728 /nfs/dbraw/zinc/38/37/28/638383728.db2.gz WSTSICIOEDFTDG-UHFFFAOYSA-N 0 0 301.371 2.191 10 30 DEEERN COc1ccc(CNC(=O)CN(C)c2ccccc2)cc1C#N ZINC000747063762 638403459 /nfs/dbraw/zinc/40/34/59/638403459.db2.gz HFJJWPRYAOWPDD-UHFFFAOYSA-N 0 0 309.369 2.319 10 30 DEEERN COc1ccc(CNC(=O)CN2CCc3ccccc32)cc1C#N ZINC000747072055 638404390 /nfs/dbraw/zinc/40/43/90/638404390.db2.gz XGKVWWIGWJVQGV-UHFFFAOYSA-N 0 0 321.380 2.246 10 30 DEEERN CCOC[C@@H]1CCN(C(=O)NCc2ccc(OC)c(C#N)c2)C1 ZINC000747431037 638436229 /nfs/dbraw/zinc/43/62/29/638436229.db2.gz PRUDNAYQTCDOMV-CQSZACIVSA-N 0 0 317.389 2.135 10 30 DEEERN COCC1CCN(C(=O)NCc2ccc(OC)c(C#N)c2)CC1 ZINC000747421674 638436378 /nfs/dbraw/zinc/43/63/78/638436378.db2.gz HLGKQPYLQYEGMG-UHFFFAOYSA-N 0 0 317.389 2.135 10 30 DEEERN COc1ccc(CNC(=O)NCC2(O)CCCCC2)cc1C#N ZINC000747432682 638437441 /nfs/dbraw/zinc/43/74/41/638437441.db2.gz ZVUPQPKSZPJCSI-UHFFFAOYSA-N 0 0 317.389 2.061 10 30 DEEERN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H](C#N)C2CC2)c1 ZINC000747785757 638476950 /nfs/dbraw/zinc/47/69/50/638476950.db2.gz HGTWSYLMHRDCLQ-OAHLLOKOSA-N 0 0 315.329 2.062 10 30 DEEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C)[C@@H](C)C1 ZINC000748347718 638543462 /nfs/dbraw/zinc/54/34/62/638543462.db2.gz FTGDZSDXNSVSGP-WMLDXEAASA-N 0 0 315.417 2.124 10 30 DEEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C)[C@H](C)C1 ZINC000748347714 638543489 /nfs/dbraw/zinc/54/34/89/638543489.db2.gz FTGDZSDXNSVSGP-PBHICJAKSA-N 0 0 315.417 2.124 10 30 DEEERN CCCCCNC(=O)[C@H](C)OC(=O)Cc1cccc(C#N)c1 ZINC000750434150 638744905 /nfs/dbraw/zinc/74/49/05/638744905.db2.gz OELBFUXQTGGCAC-ZDUSSCGKSA-N 0 0 302.374 2.339 10 30 DEEERN C=CCNC(=O)COC(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000750515466 638755474 /nfs/dbraw/zinc/75/54/74/638755474.db2.gz IMTSNSFLFYZAKN-UHFFFAOYSA-N 0 0 303.358 2.112 10 30 DEEERN COc1ccc(CNC(=O)c2cnc3n2CCCC3)cc1C#N ZINC000750713953 639018083 /nfs/dbraw/zinc/01/80/83/639018083.db2.gz OQTGMFYIQTYRCR-UHFFFAOYSA-N 0 0 310.357 2.030 10 30 DEEERN C#CC[C@H](OC(=O)CCn1cc(Br)cn1)C1CC1 ZINC000750780288 639026543 /nfs/dbraw/zinc/02/65/43/639026543.db2.gz XFFGQEATXZIPMU-LBPRGKRZSA-N 0 0 311.179 2.381 10 30 DEEERN COc1ccc(CNC(=O)C[C@@H]2CSCCS2)cc1C#N ZINC000752139235 639158484 /nfs/dbraw/zinc/15/84/84/639158484.db2.gz QADMMJFDZVTHPZ-CYBMUJFWSA-N 0 0 322.455 2.422 10 30 DEEERN C#CCOCCNC(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000752425954 639183274 /nfs/dbraw/zinc/18/32/74/639183274.db2.gz YEUZNCMIIVDEDX-UHFFFAOYSA-N 0 0 303.362 2.052 10 30 DEEERN C#CCCCS(=O)(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000805020097 639223988 /nfs/dbraw/zinc/22/39/88/639223988.db2.gz KNQDAFJULPHBGH-LLVKDONJSA-N 0 0 301.358 2.401 10 30 DEEERN C#CCCCS(=O)(=O)NCCc1c[nH]c2cccc(OC)c12 ZINC000805056845 639392563 /nfs/dbraw/zinc/39/25/63/639392563.db2.gz LJRTWCKGUSVUFZ-UHFFFAOYSA-N 0 0 320.414 2.052 10 30 DEEERN C#CCCCS(=O)(=O)N1CCN(c2ccccc2)C[C@H]1CC ZINC000805063387 639431887 /nfs/dbraw/zinc/43/18/87/639431887.db2.gz NRNYLSVXNWPSFU-MRXNPFEDSA-N 0 0 320.458 2.330 10 30 DEEERN C#CCCCS(=O)(=O)Oc1cnc(Br)cc1C ZINC000805072728 639488323 /nfs/dbraw/zinc/48/83/23/639488323.db2.gz UORLGPCEJOYJAG-UHFFFAOYSA-N 0 0 318.192 2.275 10 30 DEEERN C=CCCCCCCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000805104195 639710105 /nfs/dbraw/zinc/71/01/05/639710105.db2.gz MMMHDRGFKDBPQB-ZIAGYGMSSA-N 0 0 304.456 2.067 10 30 DEEERN C=CCc1cc(C(=O)OCCC(=O)N(C)C)cc(OC)c1OC ZINC000729092221 640039983 /nfs/dbraw/zinc/03/99/83/640039983.db2.gz NWQACASKIITXAZ-UHFFFAOYSA-N 0 0 321.373 2.067 10 30 DEEERN COC(=O)c1coc(C(=O)COC(=O)c2sccc2C#N)c1 ZINC000729120226 640059535 /nfs/dbraw/zinc/05/95/35/640059535.db2.gz XYYIFWJECHJUKW-UHFFFAOYSA-N 0 0 319.294 2.039 10 30 DEEERN C=CCCOCCNS(=O)(=O)c1cccc2ncccc21 ZINC000163401170 640316234 /nfs/dbraw/zinc/31/62/34/640316234.db2.gz YANNRHBTWCGEOH-UHFFFAOYSA-N 0 0 306.387 2.106 10 30 DEEERN CCCCCCCC(=O)N1CCN(c2nccc(OC)n2)CC1 ZINC000105371682 640484287 /nfs/dbraw/zinc/48/42/87/640484287.db2.gz GUODVAXLRNSAJZ-UHFFFAOYSA-N 0 0 320.437 2.494 10 30 DEEERN C#CCN(C(=O)C[C@@H](C)CC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000729334180 640487093 /nfs/dbraw/zinc/48/70/93/640487093.db2.gz JQMNLHRXCYZUDV-KGLIPLIRSA-N 0 0 313.463 2.098 10 30 DEEERN c1nn2ccccc2c1CN=Nc1nc(-c2ccncc2)no1 ZINC000729639103 640821654 /nfs/dbraw/zinc/82/16/54/640821654.db2.gz VEFAFQMMQQYXDK-UHFFFAOYSA-N 0 0 305.301 2.225 10 30 DEEERN C#CCN1CCC[C@@H]1COC(=O)c1ccc(SCC)nc1 ZINC000729811968 640843953 /nfs/dbraw/zinc/84/39/53/640843953.db2.gz HZRQNBSEDVUGMD-CQSZACIVSA-N 0 0 304.415 2.448 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1ccncc1 ZINC000805974858 644064262 /nfs/dbraw/zinc/06/42/62/644064262.db2.gz NYHSPGDFMVAYQN-KGLIPLIRSA-N 0 0 304.390 2.274 10 30 DEEERN C=CCCCCCCNC(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000806004843 644184684 /nfs/dbraw/zinc/18/46/84/644184684.db2.gz XZVZGSCHFXQCRA-CQSZACIVSA-N 0 0 316.467 2.199 10 30 DEEERN C#CCOc1ccccc1OC(=O)COCc1cc(C)no1 ZINC000800885183 645317282 /nfs/dbraw/zinc/31/72/82/645317282.db2.gz WBXAYYZQFSORPV-UHFFFAOYSA-N 0 0 301.298 2.117 10 30 DEEERN C=CCOc1ccccc1C(=O)OCc1ncnn1CC(F)F ZINC000801222003 645354219 /nfs/dbraw/zinc/35/42/19/645354219.db2.gz PMSIMLVICYBJBF-UHFFFAOYSA-N 0 0 323.299 2.465 10 30 DEEERN CCOC(=O)c1cn(CCO[C@H](C)C#N)nc1C(F)(F)F ZINC000801657080 645427495 /nfs/dbraw/zinc/42/74/95/645427495.db2.gz GJHYJGVPGVNUPW-MRVPVSSYSA-N 0 0 305.256 2.007 10 30 DEEERN C#C[C@H](OC(=O)c1cnc(C(=O)OC(C)(C)C)cn1)C1CC1 ZINC000802120850 645481984 /nfs/dbraw/zinc/48/19/84/645481984.db2.gz ISGQBODRCOSRGN-ZDUSSCGKSA-N 0 0 302.330 2.001 10 30 DEEERN C=CC[C@@H](NC(=O)N1CCO[C@H](C(F)F)C1)c1ccncc1 ZINC000802172008 645491609 /nfs/dbraw/zinc/49/16/09/645491609.db2.gz XNRXWZSYAYYRRY-OLZOCXBDSA-N 0 0 311.332 2.374 10 30 DEEERN C=CCOc1cc(OC)ccc1C(=O)O[C@@H]1CCN(CCF)C1 ZINC000802232220 645502858 /nfs/dbraw/zinc/50/28/58/645502858.db2.gz HBWYAYPOKVOMEO-CQSZACIVSA-N 0 0 323.364 2.461 10 30 DEEERN C#Cc1cc(F)c(NC(=O)C(=O)N2CC(C)=C[C@H](C)C2)c(F)c1 ZINC000802578536 645535640 /nfs/dbraw/zinc/53/56/40/645535640.db2.gz YYQMVZVSCKUPMM-JTQLQIEISA-N 0 0 318.323 2.309 10 30 DEEERN C=CCCC(C)(C)OC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000802769555 645554153 /nfs/dbraw/zinc/55/41/53/645554153.db2.gz NOCOATJKCDHMME-LBPRGKRZSA-N 0 0 318.435 2.257 10 30 DEEERN C#C[C@@H](C)Oc1ccc(COC(=O)C[C@@H]2COC(=O)C2)cc1 ZINC000802808642 645561981 /nfs/dbraw/zinc/56/19/81/645561981.db2.gz OKABOVWYFUODKY-OCCSQVGLSA-N 0 0 302.326 2.084 10 30 DEEERN C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@H](c2ccccn2)C1 ZINC000806623473 645854440 /nfs/dbraw/zinc/85/44/40/645854440.db2.gz PGGCLHUSXXYHNR-GJZGRUSLSA-N 0 0 315.417 2.259 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000806722050 645863938 /nfs/dbraw/zinc/86/39/38/645863938.db2.gz QMMLLKLECHBNFI-OAHLLOKOSA-N 0 0 316.445 2.049 10 30 DEEERN C#Cc1cncc(C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000806816823 645875591 /nfs/dbraw/zinc/87/55/91/645875591.db2.gz NMENYWBQYKBLAM-AWEZNQCLSA-N 0 0 321.384 2.009 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000807065484 645908025 /nfs/dbraw/zinc/90/80/25/645908025.db2.gz GQRCJSIWWVOHJF-OAHLLOKOSA-N 0 0 316.401 2.420 10 30 DEEERN C#CCC(CC#C)C(=O)N[C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000807431906 645950300 /nfs/dbraw/zinc/95/03/00/645950300.db2.gz IAQFRZFLDFIABZ-CYBMUJFWSA-N 0 0 321.384 2.015 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(CCO)CC1 ZINC000807465634 645953601 /nfs/dbraw/zinc/95/36/01/645953601.db2.gz DEAOQHQIUOHJDC-SFHVURJKSA-N 0 0 314.429 2.425 10 30 DEEERN C=C(C)CS(=O)(=O)NCCCn1ncc2ccc(C)cc21 ZINC000223441694 646494672 /nfs/dbraw/zinc/49/46/72/646494672.db2.gz BKONDFGGOJZXNN-UHFFFAOYSA-N 0 0 307.419 2.230 10 30 DEEERN C[C@@H](C(=O)[C@@H](C#N)C(=O)NCc1ccccc1)C1CCOCC1 ZINC000165475454 646500136 /nfs/dbraw/zinc/50/01/36/646500136.db2.gz FQYLKJLHJABRIE-CZUORRHYSA-N 0 0 314.385 2.074 10 30 DEEERN C=C(Br)CNC(=O)Nc1nc(COC)cs1 ZINC000174387781 646809592 /nfs/dbraw/zinc/80/95/92/646809592.db2.gz QYKIWVXQHDMKFK-UHFFFAOYSA-N 0 0 306.185 2.320 10 30 DEEERN C#C[C@H](C)OC(=O)c1ccc(I)cc1 ZINC000174456947 646810524 /nfs/dbraw/zinc/81/05/24/646810524.db2.gz KFSOIPRAEJLJQT-QMMMGPOBSA-N 0 0 300.095 2.470 10 30 DEEERN C#C[C@@H](C)OC(=O)CCCCOc1ccc(S(C)(=O)=O)cc1 ZINC000174441337 646811033 /nfs/dbraw/zinc/81/10/33/646811033.db2.gz NIWMFPLCEWFHNE-CYBMUJFWSA-N 0 0 324.398 2.204 10 30 DEEERN CC(C)OCCCNC(=O)[C@H](C#N)C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000151543858 646898599 /nfs/dbraw/zinc/89/85/99/646898599.db2.gz SJNOIULGGCHXHH-RBSFLKMASA-N 0 0 308.422 2.453 10 30 DEEERN CC[C@H](CC#N)NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000152866176 647292188 /nfs/dbraw/zinc/29/21/88/647292188.db2.gz HXHCTDIHHAWHQV-CHWSQXEVSA-N 0 0 309.410 2.442 10 30 DEEERN N#C[C@@H](C(=O)Cn1ncc2ccccc21)C(=O)NC1CCCCC1 ZINC000730686337 647380773 /nfs/dbraw/zinc/38/07/73/647380773.db2.gz FRWXTVCATSPHNA-HNNXBMFYSA-N 0 0 324.384 2.194 10 30 DEEERN C=CCNS(=O)(=O)c1cccc(C(=O)OCCC(=C)C)c1 ZINC000174798480 647423793 /nfs/dbraw/zinc/42/37/93/647423793.db2.gz JOXGLKJRVRNBBF-UHFFFAOYSA-N 0 0 309.387 2.274 10 30 DEEERN C#CCN1CCC[C@H]1C(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000732062160 647536977 /nfs/dbraw/zinc/53/69/77/647536977.db2.gz ALAYLXPYGMEMOX-HNNXBMFYSA-N 0 0 310.357 2.081 10 30 DEEERN C#Cc1cccc(NC(=S)N2CCN(C3CC3)[C@H](C#N)C2)c1 ZINC000732625476 647633080 /nfs/dbraw/zinc/63/30/80/647633080.db2.gz JNOJHCFDXJUCIO-MRXNPFEDSA-N 0 0 310.426 2.037 10 30 DEEERN N#C[C@H]1CN(C(=O)CSc2ccc(F)cc2)CCN1C1CC1 ZINC000732649075 647636021 /nfs/dbraw/zinc/63/60/21/647636021.db2.gz ONQNZJRJWKIAIW-AWEZNQCLSA-N 0 0 319.405 2.117 10 30 DEEERN N#C[C@H]1CN(C(=O)CCSc2ccccc2)CCN1C1CC1 ZINC000732651604 647637216 /nfs/dbraw/zinc/63/72/16/647637216.db2.gz DJTYWKSOSQSSNB-HNNXBMFYSA-N 0 0 315.442 2.368 10 30 DEEERN CC(C)(C)c1nn(CN2CCN(C3CC3)[C@H](C#N)C2)c(=S)o1 ZINC000732672976 647640094 /nfs/dbraw/zinc/64/00/94/647640094.db2.gz RGOSXNZJSIOIPP-GFCCVEGCSA-N 0 0 321.450 2.133 10 30 DEEERN O=[N+]([O-])c1ccc(S(=O)(=O)OCC(F)(F)C(F)F)s1 ZINC000064241036 648036293 /nfs/dbraw/zinc/03/62/93/648036293.db2.gz AFKVRHGHOKGHKN-UHFFFAOYSA-N 0 0 323.245 2.262 10 30 DEEERN C#CCCCCNC(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000154893702 648126108 /nfs/dbraw/zinc/12/61/08/648126108.db2.gz PBGBAOZDYLEOJK-HNNXBMFYSA-N 0 0 321.465 2.372 10 30 DEEERN C#Cc1cccc(N(C)C(=O)c2cnc3c(cnn3C)c2OC)c1 ZINC000182603854 648950658 /nfs/dbraw/zinc/95/06/58/648950658.db2.gz SZJJVJLLTPMGJC-UHFFFAOYSA-N 0 0 320.352 2.235 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)c1cc(C(=O)OC)co1 ZINC000184996259 649418477 /nfs/dbraw/zinc/41/84/77/649418477.db2.gz IJBSZQDKPYHRII-UHFFFAOYSA-N 0 0 317.272 2.470 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccc(-n2cnc3ccccc32)nc1 ZINC000185767223 649611832 /nfs/dbraw/zinc/61/18/32/649611832.db2.gz LCOIYRKFXHQHCT-CQSZACIVSA-N 0 0 322.368 2.087 10 30 DEEERN C=CCOc1ccc(C(=O)OCCN2CCCCC2=O)cc1 ZINC000107028363 651408462 /nfs/dbraw/zinc/40/84/62/651408462.db2.gz QVYKIELNFPFYJD-UHFFFAOYSA-N 0 0 303.358 2.421 10 30 DEEERN CNC(=O)c1cncc(/C=C/C(=O)OCC#Cc2ccccc2)c1 ZINC000111947061 652644207 /nfs/dbraw/zinc/64/42/07/652644207.db2.gz DQBNHYSIMNCUSQ-MDZDMXLPSA-N 0 0 320.348 2.049 10 30 DEEERN C#C[C@H](C)NS(=O)(=O)c1c(Cl)cccc1Br ZINC000390433101 685439864 /nfs/dbraw/zinc/43/98/64/685439864.db2.gz FXCPBZAUAFZBTE-ZETCQYMHSA-N 0 0 322.611 2.403 10 30 DEEERN C#CCNC(=O)COC(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000007087404 683837365 /nfs/dbraw/zinc/83/73/65/683837365.db2.gz ASBJIUWMVJADMT-UHFFFAOYSA-N 0 0 314.366 2.025 10 30 DEEERN C[C@@H](NC(=O)c1ccco1)C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 ZINC000041496954 683890662 /nfs/dbraw/zinc/89/06/62/683890662.db2.gz BUMTUGIHSUNKOQ-GHMZBOCLSA-N 0 0 322.324 2.151 10 30 DEEERN CN1C(=O)C[C@@H](C(=O)Oc2ccc(C#N)cc2)[C@H]1c1cccnc1 ZINC000074394981 683930728 /nfs/dbraw/zinc/93/07/28/683930728.db2.gz SUSZQESLTGFFPD-NVXWUHKLSA-N 0 0 321.336 2.078 10 30 DEEERN C#CCN(CC#C)CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C ZINC000076185670 683940895 /nfs/dbraw/zinc/94/08/95/683940895.db2.gz KPPFCSFDWKOMFR-IBGZPJMESA-N 0 0 312.413 2.077 10 30 DEEERN CNC(=O)c1cc(Cl)ccc1NC(=O)c1cc(C#N)cn1C ZINC000081013188 683987271 /nfs/dbraw/zinc/98/72/71/683987271.db2.gz NPCVUDNKLNNISD-UHFFFAOYSA-N 0 0 316.748 2.162 10 30 DEEERN C=CCC[C@H](C)OC(=O)CN1C(=O)c2ccc(C)cc2C1=O ZINC000089318985 684022186 /nfs/dbraw/zinc/02/21/86/684022186.db2.gz IMRIQRSRTGMTTA-LBPRGKRZSA-N 0 0 301.342 2.489 10 30 DEEERN N#C[C@H](C(=O)CCCc1ccc(F)c(F)c1)C(=O)NC1CC1 ZINC000120051780 684090971 /nfs/dbraw/zinc/09/09/71/684090971.db2.gz STEDNXLYECORNR-GFCCVEGCSA-N 0 0 306.312 2.275 10 30 DEEERN CC(C)COC(=O)[C@H](C)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000125160952 684142863 /nfs/dbraw/zinc/14/28/63/684142863.db2.gz NDXAIECWXGLVRW-STQMWFEESA-N 0 0 318.373 2.029 10 30 DEEERN CNC(=O)COc1ccc(OC(=O)c2ccc(C#N)cc2C)cc1 ZINC000129869217 684182837 /nfs/dbraw/zinc/18/28/37/684182837.db2.gz JGHGMXTVXZDTBQ-UHFFFAOYSA-N 0 0 324.336 2.211 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CN1C[C@@H](C)O[C@H](C)C1 ZINC000131005312 684195204 /nfs/dbraw/zinc/19/52/04/684195204.db2.gz LIFOBBJOCLKKDZ-CHWSQXEVSA-N 0 0 311.389 2.192 10 30 DEEERN CC(=O)N(CCc1ccccc1)CC(=O)O[C@H](C#N)C(C)C ZINC000156484656 684289601 /nfs/dbraw/zinc/28/96/01/684289601.db2.gz XUBLSEAIPPSNCN-MRXNPFEDSA-N 0 0 302.374 2.169 10 30 DEEERN C=CCC[C@H](OC(=O)CCCN1C(=O)NC(C)(C)C1=O)C1CC1 ZINC000159582496 684316685 /nfs/dbraw/zinc/31/66/85/684316685.db2.gz MAMVTSMXAPCCOV-ZDUSSCGKSA-N 0 0 322.405 2.385 10 30 DEEERN C=CCC[C@@H](OC(=O)CCCN1C(=O)NC(C)(C)C1=O)C1CC1 ZINC000159582651 684316770 /nfs/dbraw/zinc/31/67/70/684316770.db2.gz MAMVTSMXAPCCOV-CYBMUJFWSA-N 0 0 322.405 2.385 10 30 DEEERN C=C[C@@H](C)OC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000187559719 684340767 /nfs/dbraw/zinc/34/07/67/684340767.db2.gz KVKCJPUDYZIMOJ-MRVPVSSYSA-N 0 0 312.251 2.412 10 30 DEEERN C=CCn1nnn(CN2CCC[C@H](C(F)(F)F)C2)c1=S ZINC000193989766 685053373 /nfs/dbraw/zinc/05/33/73/685053373.db2.gz JTYYGCXKOZMKQJ-VIFPVBQESA-N 0 0 307.345 2.227 10 30 DEEERN C=C(CSc1n[nH]c(-c2ccccc2O)n1)C(=O)OCC ZINC000194587572 685070474 /nfs/dbraw/zinc/07/04/74/685070474.db2.gz FXMYIJMAQBYHBN-UHFFFAOYSA-N 0 0 305.359 2.389 10 30 DEEERN Cn1cc(C#N)cc1C(=O)O[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245571474 685114506 /nfs/dbraw/zinc/11/45/06/685114506.db2.gz ZEESKWUGHZOIOZ-BPLDGKMQSA-N 0 0 300.358 2.401 10 30 DEEERN CC(=O)N1CCO[C@H]2CCN(c3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC000886031087 691987972 /nfs/dbraw/zinc/98/79/72/691987972.db2.gz MBFDACVSLRRDJL-HOTGVXAUSA-N 0 0 319.792 2.038 10 30 DEEERN N#CC1(COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000588411685 777107408 /nfs/dbraw/zinc/10/74/08/777107408.db2.gz AHKYWNAHBWDZOR-UTCJRWHESA-N 0 0 316.313 2.472 10 30 DEEERN CO[C@@H]1CC[C@@H]1N(C)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000724119710 777245736 /nfs/dbraw/zinc/24/57/36/777245736.db2.gz BZPICNRQCNQWII-NWDGAFQWSA-N 0 0 314.794 2.010 10 30 DEEERN C[C@H](CNC(=O)/C=C\c1ccccc1C#N)N1CCCCC1=O ZINC000588614189 777599149 /nfs/dbraw/zinc/59/91/49/777599149.db2.gz PLXKCFJEQHPRTL-CFYYFVFUSA-N 0 0 311.385 2.089 10 30 DEEERN C#Cc1ccc(C(=O)Nc2ccc(OC)c(OC)c2OC)cn1 ZINC000728825888 778523479 /nfs/dbraw/zinc/52/34/79/778523479.db2.gz KAVQPYKFYSUHBL-UHFFFAOYSA-N 0 0 312.325 2.341 10 30 DEEERN COc1ccc(CNC(=O)Cc2cn3ccccc3n2)cc1C#N ZINC000746922650 786541826 /nfs/dbraw/zinc/54/18/26/786541826.db2.gz KCLLMTLBWMSYIU-UHFFFAOYSA-N 0 0 320.352 2.073 10 30 DEEERN CCn1nc(C)c(C(=O)NCc2ccc(OC)c(C#N)c2)c1C ZINC000746926910 786549213 /nfs/dbraw/zinc/54/92/13/786549213.db2.gz QVQQQYZHZAGXBG-UHFFFAOYSA-N 0 0 312.373 2.330 10 30 DEEERN COc1ccc(CNC(=O)c2cnc3ccccn32)cc1C#N ZINC000746928201 786551227 /nfs/dbraw/zinc/55/12/27/786551227.db2.gz ZODKAVSNTAQWGR-UHFFFAOYSA-N 0 0 306.325 2.145 10 30 DEEERN C=CCO[C@H]1CCN(CCCS(=O)(=O)c2cccc(C)c2)C1 ZINC000156464363 796730398 /nfs/dbraw/zinc/73/03/98/796730398.db2.gz AEYXGJUMTXHXGS-INIZCTEOSA-N 0 0 323.458 2.436 10 30 DEEERN C#CC[C@H](CO)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000717771035 799469459 /nfs/dbraw/zinc/46/94/59/799469459.db2.gz WBDDCGDCKQFYHZ-MWLCHTKSSA-N 0 0 316.184 2.261 10 30 DEEERN N#Cc1ccc(C2(C(=O)OCC3(C#N)CCOCC3)CC2)cc1 ZINC000187486865 800338822 /nfs/dbraw/zinc/33/88/22/800338822.db2.gz GLUWKGMKLDMEBA-UHFFFAOYSA-N 0 0 310.353 2.453 10 30 DEEERN N#Cc1cc(Cl)nc(NC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000724312066 1081961379 /nfs/dbraw/zinc/96/13/79/1081961379.db2.gz ZHKNQBGLSHPBES-FGWVZKOKSA-N 0 0 311.794 2.127 10 30 DEEERN N#Cc1cc(F)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1 ZINC000720007963 1089423026 /nfs/dbraw/zinc/42/30/26/1089423026.db2.gz BGQOOSTWWXYGSB-UHFFFAOYSA-N 0 0 304.293 2.117 10 30 DEEERN CC[C@@H](CSC)N(C)S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720039533 1089428618 /nfs/dbraw/zinc/42/86/18/1089428618.db2.gz TULSINGGDGJERV-LBPRGKRZSA-N 0 0 316.423 2.459 10 30 DEEERN C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](CO)C[C@H]1C ZINC000624825820 365562272 /nfs/dbraw/zinc/56/22/72/365562272.db2.gz ACIYEKPKYBCYLQ-KFWWJZLASA-N 0 0 320.437 2.303 10 30 DEEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CC2(C1)CCCO2 ZINC000624827697 365563420 /nfs/dbraw/zinc/56/34/20/365563420.db2.gz HSKBUEBYZDBQMT-LBPRGKRZSA-N 0 0 306.435 2.401 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000076959302 185060905 /nfs/dbraw/zinc/06/09/05/185060905.db2.gz IJXANRHYWHNWHU-STQMWFEESA-N 0 0 309.410 2.252 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc([S@@](C)=O)c(F)c1 ZINC000278431907 214147785 /nfs/dbraw/zinc/14/77/85/214147785.db2.gz ZGDNVSARJSKQSJ-HQHPYACNSA-N 0 0 311.378 2.483 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(F)c(OC)cc1F ZINC000612326170 361793812 /nfs/dbraw/zinc/79/38/12/361793812.db2.gz GKCVNKYAEANZIP-ZDUSSCGKSA-N 0 0 312.316 2.383 10 30 DEEERN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC2(C1)CCCO2 ZINC000624975757 365604250 /nfs/dbraw/zinc/60/42/50/365604250.db2.gz WFOPWSVKFKXMBW-AWEZNQCLSA-N 0 0 318.421 2.465 10 30 DEEERN C=C(C)CN(CC)c1nnc(-c2cn[nH]c2)n1C[C@H]1CCCO1 ZINC000625093147 365640030 /nfs/dbraw/zinc/64/00/30/365640030.db2.gz KLAZETVSIXJBMP-CQSZACIVSA-N 0 0 316.409 2.250 10 30 DEEERN C=CC[C@H](CO)CNS(=O)(=O)CC(C)(C)C(F)(F)CC ZINC000625110801 365645737 /nfs/dbraw/zinc/64/57/37/365645737.db2.gz FGIOBXHZGQDDKA-NSHDSACASA-N 0 0 313.410 2.162 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC000612434427 361826609 /nfs/dbraw/zinc/82/66/09/361826609.db2.gz PRJKGDSBHDTELP-ZIAGYGMSSA-N 0 0 322.792 2.361 10 30 DEEERN COc1ccc(OCCn2ccc(=O)c(OCC#N)c2C)cc1 ZINC000096777041 185387073 /nfs/dbraw/zinc/38/70/73/185387073.db2.gz YZZPWZDOVSLZOI-UHFFFAOYSA-N 0 0 314.341 2.147 10 30 DEEERN N#Cc1cccc(S(=O)(=O)CC[S@@](=O)C2CCCC2)c1 ZINC000163390194 197627212 /nfs/dbraw/zinc/62/72/12/197627212.db2.gz ZJMPZDUXYJZQLI-IBGZPJMESA-N 0 0 311.428 2.023 10 30 DEEERN CN(CCC(F)(F)F)C(=O)c1cc(F)ccc1C#CCO ZINC000088436691 185250325 /nfs/dbraw/zinc/25/03/25/185250325.db2.gz LXINUWLDERFBAS-UHFFFAOYSA-N 0 0 303.255 2.194 10 30 DEEERN Cc1cc(C#N)cc(C)c1OCC[C@@H](C)CCS(N)(=O)=O ZINC000088692408 185262524 /nfs/dbraw/zinc/26/25/24/185262524.db2.gz WDUQBFIHFMCNBR-LLVKDONJSA-N 0 0 310.419 2.259 10 30 DEEERN C=C[C@](C)(O)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000613108376 362005721 /nfs/dbraw/zinc/00/57/21/362005721.db2.gz RUZHULPBPRNDTE-FMKPAKJESA-N 0 0 308.809 2.138 10 30 DEEERN C=C(CC)CNS(=O)(=O)C[C@H](OC)c1ccc(F)cc1 ZINC000625249463 365697779 /nfs/dbraw/zinc/69/77/79/365697779.db2.gz ZOLFGDLBHFPILX-AWEZNQCLSA-N 0 0 301.383 2.399 10 30 DEEERN COC(=O)[C@H](C)CSCC(=O)Nc1oc(C)c(C)c1C#N ZINC000090103081 185282342 /nfs/dbraw/zinc/28/23/42/185282342.db2.gz IKYRZORMJRNPPV-MRVPVSSYSA-N 0 0 310.375 2.249 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H](C)[C@H](OC)C1(CC)CC ZINC000613225264 362048103 /nfs/dbraw/zinc/04/81/03/362048103.db2.gz GDURAINSTPUFGN-HNKHHVNMSA-N 0 0 324.465 2.413 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(Cc2ccccc2)C1 ZINC000613332360 362082876 /nfs/dbraw/zinc/08/28/76/362082876.db2.gz ZYKSDTHPJBFDDO-KRWDZBQOSA-N 0 0 300.402 2.158 10 30 DEEERN CC(=O)N1CCN(c2nc(C(C)(C)C)ccc2C#N)[C@@H](C)C1 ZINC000613429259 362109905 /nfs/dbraw/zinc/10/99/05/362109905.db2.gz JBVLGNNYSLUHDY-LBPRGKRZSA-N 0 0 300.406 2.308 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000613450958 362116722 /nfs/dbraw/zinc/11/67/22/362116722.db2.gz JGSSUNNKOHMZRH-AWEZNQCLSA-N 0 0 319.409 2.193 10 30 DEEERN C=CCCCS(=O)(=O)NC[C@]1(C)COc2ccccc2O1 ZINC000625327709 365730552 /nfs/dbraw/zinc/73/05/52/365730552.db2.gz LEOHHGBXVOHNGJ-OAHLLOKOSA-N 0 0 311.403 2.102 10 30 DEEERN CC(C)c1nnc2n1C[C@@H](NC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000181357827 199285319 /nfs/dbraw/zinc/28/53/19/199285319.db2.gz JPPQJHRCJCYPCC-AWEZNQCLSA-N 0 0 324.388 2.410 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](C)c1nc(C)cs1 ZINC000613482919 362125842 /nfs/dbraw/zinc/12/58/42/362125842.db2.gz XPLGILWMURUFAY-GWCFXTLKSA-N 0 0 309.435 2.142 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1ccn2cc(C(F)(F)F)nc2c1 ZINC000613486169 362126500 /nfs/dbraw/zinc/12/65/00/362126500.db2.gz BUHQUBJLQXSISR-SNVBAGLBSA-N 0 0 313.279 2.020 10 30 DEEERN Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)[C@H]1CCCOC1 ZINC000184012283 282245188 /nfs/dbraw/zinc/24/51/88/282245188.db2.gz IDYRELAEFJFPBX-HNNXBMFYSA-N 0 0 310.357 2.121 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 ZINC000625350538 365742170 /nfs/dbraw/zinc/74/21/70/365742170.db2.gz PBEFBLJMHSSVOH-GFCCVEGCSA-N 0 0 311.403 2.291 10 30 DEEERN CN(CCC#N)S(=O)(=O)N1Cc2ccccc2C2(CCC2)C1 ZINC000408075381 529869271 /nfs/dbraw/zinc/86/92/71/529869271.db2.gz YYZADCKHDRSYFP-UHFFFAOYSA-N 0 0 319.430 2.014 10 30 DEEERN C=CCCOCCCCC(=O)N1CC[C@H](N2CCC2)[C@H](F)C1 ZINC000614094779 362281926 /nfs/dbraw/zinc/28/19/26/362281926.db2.gz UZAJTDLHBOOPHP-CVEARBPZSA-N 0 0 312.429 2.394 10 30 DEEERN C=CCC1(C(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)CCOCC1 ZINC000614470704 362391110 /nfs/dbraw/zinc/39/11/10/362391110.db2.gz KGYSYLRDBZKKJL-RYUDHWBXSA-N 0 0 323.355 2.423 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000614551634 362406186 /nfs/dbraw/zinc/40/61/86/362406186.db2.gz LCOONWDXQPYYBE-XRGAULLZSA-N 0 0 310.438 2.167 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1O ZINC000614825481 362471432 /nfs/dbraw/zinc/47/14/32/362471432.db2.gz HYVGWYRNDGYSOH-YNEHKIRRSA-N 0 0 319.405 2.469 10 30 DEEERN CC(C)(C)OC(=O)[C@@H]1CCN(c2nc3ccccn3c2C#N)C1 ZINC000181730818 199345425 /nfs/dbraw/zinc/34/54/25/199345425.db2.gz JFBYMTIIOXKQAP-GFCCVEGCSA-N 0 0 312.373 2.374 10 30 DEEERN Cc1cc(C)cc(N2CC[C@@H](C(=O)N[C@@H](C#N)C3CC3)C2=O)c1 ZINC000108834471 185536080 /nfs/dbraw/zinc/53/60/80/185536080.db2.gz BHCJYOYBHIMYLH-HOTGVXAUSA-N 0 0 311.385 2.075 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CSc2ccccc21 ZINC000615457891 362611348 /nfs/dbraw/zinc/61/13/48/362611348.db2.gz DSUDTBQTTKOXIU-HIFRSBDPSA-N 0 0 318.442 2.463 10 30 DEEERN COc1ccc(Cl)cc1CNC(=O)N1CC[C@@](F)(C#N)C1 ZINC000615532110 362629797 /nfs/dbraw/zinc/62/97/97/362629797.db2.gz YESIESOXONITKL-CQSZACIVSA-N 0 0 311.744 2.496 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)C[C@H](C)c1nccs1 ZINC000625529402 365816408 /nfs/dbraw/zinc/81/64/08/365816408.db2.gz JJPYCFHMRYEGRX-LBPRGKRZSA-N 0 0 323.462 2.424 10 30 DEEERN C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000625678795 365869362 /nfs/dbraw/zinc/86/93/62/365869362.db2.gz YXGSAIFRWUPHHQ-FPCVCCKLSA-N 0 0 304.434 2.354 10 30 DEEERN C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000279665760 215044911 /nfs/dbraw/zinc/04/49/11/215044911.db2.gz ZFRREMCYHFJCRL-MRXNPFEDSA-N 0 0 315.417 2.395 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CCC(OC(F)F)CC1 ZINC000616095406 362771062 /nfs/dbraw/zinc/77/10/62/362771062.db2.gz ZACMPNCIEUUWGE-WXRRBKDZSA-N 0 0 318.364 2.124 10 30 DEEERN C=C(C)C[C@H](C)C(=O)N[C@@H](Cc1ccncc1)C(=O)OCC ZINC000616130475 362777724 /nfs/dbraw/zinc/77/77/24/362777724.db2.gz DGKAMHOQSQUTMZ-ZFWWWQNUSA-N 0 0 304.390 2.274 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1(C(F)(F)F)CCOCC1 ZINC000616409013 362849167 /nfs/dbraw/zinc/84/91/67/362849167.db2.gz GBFJJIVDKDASDX-QWRGUYRKSA-N 0 0 307.312 2.053 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]1c1ccc(C)cc1 ZINC000616466617 362866483 /nfs/dbraw/zinc/86/64/83/362866483.db2.gz LYHHCGNDSXTENW-GVDBMIGSSA-N 0 0 300.402 2.438 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H](OC2CCC2)C1 ZINC000616701439 362913970 /nfs/dbraw/zinc/91/39/70/362913970.db2.gz CYQAHCPNLNPHMB-JKSUJKDBSA-N 0 0 308.422 2.017 10 30 DEEERN COCCC[S@](=O)CCCC(=O)Nc1cccc(C#N)c1 ZINC000084256916 192418053 /nfs/dbraw/zinc/41/80/53/192418053.db2.gz QETUMYNEFDWGEQ-NRFANRHFSA-N 0 0 308.403 2.062 10 30 DEEERN C[C@H]1SCCN(C(=O)c2cc(C#CCO)ccc2F)[C@H]1C ZINC000133648747 186003501 /nfs/dbraw/zinc/00/35/01/186003501.db2.gz DRNCWHXKMQFHQR-NWDGAFQWSA-N 0 0 307.390 2.136 10 30 DEEERN C[C@](N)(C#N)CCOc1c(Br)cccc1[N+](=O)[O-] ZINC000133635935 186001901 /nfs/dbraw/zinc/00/19/01/186001901.db2.gz AFKCJLFNIOLSAQ-LLVKDONJSA-N 0 0 314.139 2.367 10 30 DEEERN Cc1c(C#CCO)cccc1C(=O)N1CCS[C@@H](C)[C@H]1C ZINC000133647135 186003016 /nfs/dbraw/zinc/00/30/16/186003016.db2.gz NGGURPQKINDDJX-KGLIPLIRSA-N 0 0 303.427 2.305 10 30 DEEERN CC[C@@H](NC(=O)c1csc(C#CCCO)c1)c1ncc[nH]1 ZINC000141597305 186030395 /nfs/dbraw/zinc/03/03/95/186030395.db2.gz BJMHVEFVFIIPQU-CYBMUJFWSA-N 0 0 303.387 2.086 10 30 DEEERN CCN(CCS(=O)(=O)c1cccc(C#N)c1)CC(F)(F)F ZINC000147434658 186040355 /nfs/dbraw/zinc/04/03/55/186040355.db2.gz IBNNBFSXWDEZAL-UHFFFAOYSA-N 0 0 320.336 2.216 10 30 DEEERN N#Cc1c[nH]c(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)c1 ZINC000150750514 186063104 /nfs/dbraw/zinc/06/31/04/186063104.db2.gz YRLONNCNSZQDEJ-NSHDSACASA-N 0 0 316.311 2.173 10 30 DEEERN C#CCC(CC#C)C(=O)NCCc1nc2ccccc2n1CC ZINC000277289015 213423857 /nfs/dbraw/zinc/42/38/57/213423857.db2.gz ACPNHUKBJIDYMN-UHFFFAOYSA-N 0 0 307.397 2.378 10 30 DEEERN C[C@@H](NC(=O)CSCC#N)c1ccccc1-n1cccn1 ZINC000159619219 186131454 /nfs/dbraw/zinc/13/14/54/186131454.db2.gz XYIJOJMGKBOMNG-GFCCVEGCSA-N 0 0 300.387 2.306 10 30 DEEERN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H]1c1cnn(C)c1 ZINC000173319365 186176302 /nfs/dbraw/zinc/17/63/02/186176302.db2.gz BABVRNQQOGKQND-SUMWQHHRSA-N 0 0 323.400 2.456 10 30 DEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(=O)n(CCOC)c1 ZINC000617038473 363007003 /nfs/dbraw/zinc/00/70/03/363007003.db2.gz XPSKHMJCDDWTHQ-GDBMZVCRSA-N 0 0 318.417 2.359 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CC(=O)NCC(F)(F)F ZINC000617041850 363007832 /nfs/dbraw/zinc/00/78/32/363007832.db2.gz JXJOQQGNEPDINZ-MNOVXSKESA-N 0 0 306.328 2.306 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)OCc1ccccc1)[C@H](C)O ZINC000294053641 186657598 /nfs/dbraw/zinc/65/75/98/186657598.db2.gz OIHRQGFTHBKKHN-YCPHGPKFSA-N 0 0 319.401 2.198 10 30 DEEERN C=CCOc1ccccc1C(=O)NC[C@@H](OC)[C@H]1CCOC1 ZINC000617148335 363037620 /nfs/dbraw/zinc/03/76/20/363037620.db2.gz PZIWVLZFBRKTTB-XJKSGUPXSA-N 0 0 305.374 2.033 10 30 DEEERN C=C(CSc1nnnn1-c1cccc(C)c1)C(=O)OCC ZINC000172293295 198073090 /nfs/dbraw/zinc/07/30/90/198073090.db2.gz GMCAUJWJZLGEFA-UHFFFAOYSA-N 0 0 304.375 2.182 10 30 DEEERN C=CCCC1(CNC(=O)C2CCS(=O)(=O)CC2)CCCC1 ZINC000617417126 363127928 /nfs/dbraw/zinc/12/79/28/363127928.db2.gz MNAZNRMHVYQCBL-UHFFFAOYSA-N 0 0 313.463 2.454 10 30 DEEERN C[C@H](NC(=O)[C@H]1CCCOC1)c1nnnn1-c1ccccc1 ZINC000329297689 539917039 /nfs/dbraw/zinc/91/70/39/539917039.db2.gz KYUNRFAZTIRKFU-RYUDHWBXSA-N 0 0 301.350 2.106 10 30 DEEERN C[C@H](NC(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1)c1nc2ccccc2[nH]1 ZINC000329583105 539924093 /nfs/dbraw/zinc/92/40/93/539924093.db2.gz VSLPWFYLAXUMIC-ASHKBJFXSA-N 0 0 314.389 2.241 10 30 DEEERN CC(=O)NC1(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)CCCCC1 ZINC000329766359 539928764 /nfs/dbraw/zinc/92/87/64/539928764.db2.gz YANXOVVDYRDBNX-CMPLNLGQSA-N 0 0 316.423 2.055 10 30 DEEERN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000332758411 539939544 /nfs/dbraw/zinc/93/95/44/539939544.db2.gz UIHFKBISXOWROU-HOSILWTGSA-N 0 0 316.405 2.350 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)NCc1noc(C)n1 ZINC000173567782 198228265 /nfs/dbraw/zinc/22/82/65/198228265.db2.gz RXCCIYDDCRQPAV-UHFFFAOYSA-N 0 0 300.362 2.318 10 30 DEEERN Cc1cc(C)c(C#N)c(N2CCC(Nc3cccnn3)CC2)n1 ZINC000174731477 198377205 /nfs/dbraw/zinc/37/72/05/198377205.db2.gz VFNNWSXQOAFECT-UHFFFAOYSA-N 0 0 308.389 2.441 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(C)c(C(=O)OC)c1 ZINC000176052359 198540567 /nfs/dbraw/zinc/54/05/67/198540567.db2.gz LUWXJCSAAICUEN-UHFFFAOYSA-N 0 0 318.373 2.145 10 30 DEEERN C=CCCOCCNC(=O)c1cn(C)nc1-c1ccc(C)o1 ZINC000626273943 366131419 /nfs/dbraw/zinc/13/14/19/366131419.db2.gz NNRPBQRDGZWRHF-UHFFFAOYSA-N 0 0 303.362 2.311 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)Nc3ncccc3C)cc2C1=O ZINC000019160526 354044034 /nfs/dbraw/zinc/04/40/34/354044034.db2.gz RRVCTOOMPNHUNL-UHFFFAOYSA-N 0 0 321.336 2.424 10 30 DEEERN C=CCN1C(=O)c2ccc(C(=O)NCC3CCCC3)cc2C1=O ZINC000031985519 354142454 /nfs/dbraw/zinc/14/24/54/354142454.db2.gz IHKSUXJUZALSLV-UHFFFAOYSA-N 0 0 312.369 2.389 10 30 DEEERN CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cncn2)cc1 ZINC000032616081 354150752 /nfs/dbraw/zinc/15/07/52/354150752.db2.gz FDJKULVHRQHTQX-UHFFFAOYSA-N 0 0 317.352 2.411 10 30 DEEERN CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CCO1 ZINC000055220772 354489863 /nfs/dbraw/zinc/48/98/63/354489863.db2.gz LCXDNFPBUXDFSD-NSHDSACASA-N 0 0 314.794 2.011 10 30 DEEERN C=CCCO[C@H](C)C(=O)NCc1c(OC)cc(OC)cc1OC ZINC000069356149 354861766 /nfs/dbraw/zinc/86/17/66/354861766.db2.gz MJSRSTOCYWQMHG-GFCCVEGCSA-N 0 0 323.389 2.310 10 30 DEEERN N#C[C@H]1CN(C(=O)c2ccc(Cl)cc2F)CCN1C1CC1 ZINC000370968402 283068279 /nfs/dbraw/zinc/06/82/79/283068279.db2.gz LLVQKFQYNRMVTB-LBPRGKRZSA-N 0 0 307.756 2.291 10 30 DEEERN CC(=O)N1CCC[C@@H](CNC(=O)NCC2(C#N)CCCCC2)C1 ZINC000595592652 358494689 /nfs/dbraw/zinc/49/46/89/358494689.db2.gz HSIXRCFHCJAVCU-HNNXBMFYSA-N 0 0 320.437 2.018 10 30 DEEERN N#Cc1ccc(CNC(=O)NC[C@@H]2CCCC[C@@H]2O)c(F)c1 ZINC000077822767 355231608 /nfs/dbraw/zinc/23/16/08/355231608.db2.gz GRZAPEIHYKZIAP-ZFWWWQNUSA-N 0 0 305.353 2.048 10 30 DEEERN C[C@@H]1Oc2ccc(CC(=O)Nc3ccccc3C#N)cc2NC1=O ZINC000074966247 191398010 /nfs/dbraw/zinc/39/80/10/191398010.db2.gz OSSQNEIQXMLGIB-NSHDSACASA-N 0 0 321.336 2.459 10 30 DEEERN N#Cc1cccc(C(=O)Nc2cc(F)cc3c2OCC(=O)N3)c1 ZINC000074839990 191370752 /nfs/dbraw/zinc/37/07/52/191370752.db2.gz MJBAUZQFYXQJDI-UHFFFAOYSA-N 0 0 311.272 2.281 10 30 DEEERN C[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)c1ccc(F)cc1F ZINC000074886379 191379446 /nfs/dbraw/zinc/37/94/46/191379446.db2.gz FCHAOBJZJHVPLF-PWSUYJOCSA-N 0 0 309.316 2.002 10 30 DEEERN C[C@H]1Oc2ccc(CNC(=O)c3cccc(C#N)c3)cc2NC1=O ZINC000074995881 191404195 /nfs/dbraw/zinc/40/41/95/191404195.db2.gz YLCMZYJFMNPLCE-LLVKDONJSA-N 0 0 321.336 2.208 10 30 DEEERN C=CCCCN(C)C(=O)c1ccccc1OCC(=O)N(C)C ZINC000076491435 191655016 /nfs/dbraw/zinc/65/50/16/191655016.db2.gz WERXYDTVXONCGK-UHFFFAOYSA-N 0 0 304.390 2.192 10 30 DEEERN C=CCCCN(C)C(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000135078498 355864822 /nfs/dbraw/zinc/86/48/22/355864822.db2.gz BNOZAHGCNYIDIE-UHFFFAOYSA-N 0 0 322.430 2.265 10 30 DEEERN O=c1c(Br)cc(Br)cn1CCS ZINC000163986216 355974370 /nfs/dbraw/zinc/97/43/70/355974370.db2.gz KSKOVCIRFSSJSB-UHFFFAOYSA-N 0 0 313.014 2.303 10 30 DEEERN CCC[C@@H](NC(=O)c1ccc(C#N)cn1)C(=O)OC(C)(C)C ZINC000161285386 355967305 /nfs/dbraw/zinc/96/73/05/355967305.db2.gz MOYAQJMOLGQKTH-CYBMUJFWSA-N 0 0 303.362 2.193 10 30 DEEERN C[C@H](C#N)CNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000182709478 356141482 /nfs/dbraw/zinc/14/14/82/356141482.db2.gz OIMOVXIMMTVVBX-GHMZBOCLSA-N 0 0 308.332 2.002 10 30 DEEERN C[C@H](C#N)CNC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000182788662 356145336 /nfs/dbraw/zinc/14/53/36/356145336.db2.gz NXPPDLVFJIMVEH-CHWSQXEVSA-N 0 0 316.409 2.011 10 30 DEEERN C=CC[C@@H](CO)NC(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000185786693 356211851 /nfs/dbraw/zinc/21/18/51/356211851.db2.gz ISYZEGKICZNYLE-HNNXBMFYSA-N 0 0 323.820 2.441 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccc(C(=O)NC(C)C)cc1C ZINC000184539317 356193078 /nfs/dbraw/zinc/19/30/78/356193078.db2.gz GWBIZTAWBIBBPG-CQSZACIVSA-N 0 0 319.405 2.192 10 30 DEEERN CN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000080258914 192017959 /nfs/dbraw/zinc/01/79/59/192017959.db2.gz VKOMVOGEJSLSTG-UHFFFAOYSA-N 0 0 311.316 2.294 10 30 DEEERN COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(C#N)cn2C)c1 ZINC000080944546 192204404 /nfs/dbraw/zinc/20/44/04/192204404.db2.gz OAQXXCVUDGEVSF-LLVKDONJSA-N 0 0 313.357 2.405 10 30 DEEERN N/C(=N/O)Nc1ccc(Cl)cc1I ZINC000232253735 356285164 /nfs/dbraw/zinc/28/51/64/356285164.db2.gz IYOPZVIUELCALZ-UHFFFAOYSA-N 0 0 311.510 2.060 10 30 DEEERN N#Cc1nc(OC(F)(F)F)ccc1I ZINC000238535233 356304333 /nfs/dbraw/zinc/30/43/33/356304333.db2.gz MIBMNGHPSVATNP-UHFFFAOYSA-N 0 0 314.004 2.456 10 30 DEEERN CCOC(=O)c1sc(NC(=O)c2cc(C#N)cn2C)nc1C ZINC000080940127 192203058 /nfs/dbraw/zinc/20/30/58/192203058.db2.gz GOXJGOOVIWHBJX-UHFFFAOYSA-N 0 0 318.358 2.091 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000081034874 192217811 /nfs/dbraw/zinc/21/78/11/192217811.db2.gz KQBPPONKACCSOL-UHFFFAOYSA-N 0 0 309.304 2.474 10 30 DEEERN O=C(C#CBr)NCc1coc(Br)c1 ZINC000306552935 356403809 /nfs/dbraw/zinc/40/38/09/356403809.db2.gz BBSRLSJWWWSRJX-UHFFFAOYSA-N 0 0 306.941 2.014 10 30 DEEERN Cn1cc([C@H]2OCC[C@@H]2NC(=O)c2cccc3[nH]cnc32)cn1 ZINC000328616414 356460659 /nfs/dbraw/zinc/46/06/59/356460659.db2.gz BPUHWTHMNLZXML-DZGCQCFKSA-N 0 0 311.345 2.131 10 30 DEEERN Cc1nc2c(s1)CCC[C@H]2CNC(=O)c1nccnc1N ZINC000328643326 356465860 /nfs/dbraw/zinc/46/58/60/356465860.db2.gz YTHMQCMTPCIMTH-VIFPVBQESA-N 0 0 303.391 2.248 10 30 DEEERN N#CC1CCC(CN2C(=O)NC3(CCSCC3)C2=O)CC1 ZINC000348697983 356478833 /nfs/dbraw/zinc/47/88/33/356478833.db2.gz OQDUPPQUZOBJOT-UHFFFAOYSA-N 0 0 307.419 2.134 10 30 DEEERN C=CCCCN(C)C(=O)Nc1ccc(C(=O)NC)cc1OC ZINC000626675870 366262190 /nfs/dbraw/zinc/26/21/90/366262190.db2.gz QTKKXTADGYPJFB-UHFFFAOYSA-N 0 0 305.378 2.485 10 30 DEEERN Cc1cccc(CN2CCN(C(=O)c3cc(C#N)cn3C)CC2)c1 ZINC000081567761 192293561 /nfs/dbraw/zinc/29/35/61/192293561.db2.gz KUNNZDDGUMQGFM-UHFFFAOYSA-N 0 0 322.412 2.163 10 30 DEEERN C=CCOCCCNC(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000618524909 363515938 /nfs/dbraw/zinc/51/59/38/363515938.db2.gz VQLLBHJRAIUENO-INIZCTEOSA-N 0 0 305.374 2.177 10 30 DEEERN C=CCOCCCNC(=O)[C@@H](C)Oc1cccc(C(C)=O)c1 ZINC000618522743 363515983 /nfs/dbraw/zinc/51/59/83/363515983.db2.gz SECWIGJUGLIADW-CQSZACIVSA-N 0 0 305.374 2.365 10 30 DEEERN C=CCOCCCNC(=O)c1noc(-c2cccc(F)c2)n1 ZINC000618523846 363516394 /nfs/dbraw/zinc/51/63/94/363516394.db2.gz RYRYSZJDIRJDLJ-UHFFFAOYSA-N 0 0 305.309 2.198 10 30 DEEERN Cc1ncc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)cc1C#N ZINC000387001825 356701082 /nfs/dbraw/zinc/70/10/82/356701082.db2.gz WYOSNFNTELIWOH-NQBHXWOUSA-N 0 0 307.419 2.317 10 30 DEEERN N#CC1(NC(=O)c2nscc2Br)CCCC1 ZINC000404782000 356734115 /nfs/dbraw/zinc/73/41/15/356734115.db2.gz NPYBHQDUFBJTSE-UHFFFAOYSA-N 0 0 300.181 2.472 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NCc1noc(-c2cncc(C)c2)n1 ZINC000578114252 356762917 /nfs/dbraw/zinc/76/29/17/356762917.db2.gz BGUFVJHRHPWWMS-KGLIPLIRSA-N 0 0 300.362 2.263 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(C2CC2)cc1 ZINC000578742441 356865043 /nfs/dbraw/zinc/86/50/43/356865043.db2.gz GZIPSNDQUJYLJS-HOCLYGCPSA-N 0 0 307.415 2.433 10 30 DEEERN C=C[C@@H]1OCCC[C@H]1NC(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000579560699 356993196 /nfs/dbraw/zinc/99/31/96/356993196.db2.gz FOUCJISIJXJBEK-IKGGRYGDSA-N 0 0 316.401 2.104 10 30 DEEERN C=CCCCCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000581736942 357241096 /nfs/dbraw/zinc/24/10/96/357241096.db2.gz PLZPSAMVFKTLML-UHFFFAOYSA-N 0 0 313.379 2.401 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000581662270 357225082 /nfs/dbraw/zinc/22/50/82/357225082.db2.gz CLMDDBRYWJYJNU-WFASDCNBSA-N 0 0 314.385 2.237 10 30 DEEERN C=CCn1c(-c2ccccn2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000584807922 357312533 /nfs/dbraw/zinc/31/25/33/357312533.db2.gz UEWGJFWDVXCNFQ-HNNXBMFYSA-N 0 0 324.432 2.199 10 30 DEEERN C=CCC[C@@H]1NC(=O)N([C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)C1=O ZINC000592464319 357880575 /nfs/dbraw/zinc/88/05/75/357880575.db2.gz ANQYGTXPWKTKGR-AGIUHOORSA-N 0 0 322.405 2.383 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(C)(C)C(=O)OC(C)(C)C ZINC000592629087 357915837 /nfs/dbraw/zinc/91/58/37/357915837.db2.gz WPUGVTYFQUTADL-QWHCGFSZSA-N 0 0 311.422 2.452 10 30 DEEERN CC#CC[C@@H](CO)NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000592926682 357974649 /nfs/dbraw/zinc/97/46/49/357974649.db2.gz VKXNKEUKSRSKEI-HNNXBMFYSA-N 0 0 317.385 2.146 10 30 DEEERN C=CCOCC(=O)N1C[C@H](C(=O)OCC)Cc2cccc(F)c21 ZINC000593185434 358029470 /nfs/dbraw/zinc/02/94/70/358029470.db2.gz PDBGABQSCIBQIH-CYBMUJFWSA-N 0 0 321.348 2.097 10 30 DEEERN C=CCCCS(=O)(=O)N(C)[C@H](CC)C(=O)OC(C)(C)C ZINC000593673613 358121375 /nfs/dbraw/zinc/12/13/75/358121375.db2.gz ZTTFBLRGQYJTKZ-GFCCVEGCSA-N 0 0 305.440 2.335 10 30 DEEERN C=CCn1c(COCC)nnc1N1Cc2cccc(C#N)c2C1 ZINC000593759215 358138773 /nfs/dbraw/zinc/13/87/73/358138773.db2.gz RYXRNIIKJYAQMW-UHFFFAOYSA-N 0 0 309.373 2.392 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc2c(c1)[C@H](C)CC(=O)N2C ZINC000627060180 366425943 /nfs/dbraw/zinc/42/59/43/366425943.db2.gz RWGLJIOJHUGZFU-YPMHNXCESA-N 0 0 317.389 2.215 10 30 DEEERN C=CCOCCCNC(=O)C(=O)Nc1ccccc1CSC ZINC000595161712 358397373 /nfs/dbraw/zinc/39/73/73/358397373.db2.gz BOHVZOQUTUXATL-UHFFFAOYSA-N 0 0 322.430 2.197 10 30 DEEERN CC(=O)N1CC[C@@H](CNc2cc(C)c([N+](=O)[O-])cc2C#N)C1 ZINC000596235575 358648387 /nfs/dbraw/zinc/64/83/87/358648387.db2.gz WWEBAMFSAYQGET-LBPRGKRZSA-N 0 0 302.334 2.055 10 30 DEEERN C=CCCNC(=O)N1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000596713693 358745329 /nfs/dbraw/zinc/74/53/29/358745329.db2.gz QINSZCVWLZCCPJ-LLVKDONJSA-N 0 0 323.418 2.395 10 30 DEEERN C=CCNC(=O)CNC(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000181215059 199266671 /nfs/dbraw/zinc/26/66/71/199266671.db2.gz XGFSDNVCHSHCQR-BLLLJJGKSA-N 0 0 319.380 2.220 10 30 DEEERN C=CC[C@H]1CCCN(C(=O)C(=O)NCC2(C#N)CCCCC2)C1 ZINC000597398146 358909001 /nfs/dbraw/zinc/90/90/01/358909001.db2.gz ILDCDVGHSFEOLY-HNNXBMFYSA-N 0 0 317.433 2.391 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C1(C(=O)OC)CC2(CCC2)C1 ZINC000597608175 358961779 /nfs/dbraw/zinc/96/17/79/358961779.db2.gz ACGQHYAHZZWTPQ-KGLIPLIRSA-N 0 0 321.417 2.207 10 30 DEEERN C=CC[C@@H](CO)NC(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1 ZINC000597500089 358933999 /nfs/dbraw/zinc/93/39/99/358933999.db2.gz IVNWDVPANLZZMW-KBPBESRZSA-N 0 0 311.422 2.188 10 30 DEEERN C=CC[C@H](CO)NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O ZINC000185796974 199888868 /nfs/dbraw/zinc/88/88/68/199888868.db2.gz IECDNPKFZXKPPQ-NVXWUHKLSA-N 0 0 314.385 2.004 10 30 DEEERN C=CCOc1ccc(CC(=O)N[C@](C)(CCF)C(=O)OC)cc1 ZINC000598292152 359153187 /nfs/dbraw/zinc/15/31/87/359153187.db2.gz YTEXJMOQQYVUGW-QGZVFWFLSA-N 0 0 323.364 2.201 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000185913005 199903841 /nfs/dbraw/zinc/90/38/41/199903841.db2.gz KODOPJQUAUKQLO-OWCLPIDISA-N 0 0 304.390 2.143 10 30 DEEERN C=C(C)CNC(=O)N1CCc2c(F)ccc(C(=O)OC)c2C1 ZINC000599033793 359387722 /nfs/dbraw/zinc/38/77/22/359387722.db2.gz CZLRBTBEBPREMH-UHFFFAOYSA-N 0 0 306.337 2.256 10 30 DEEERN C=CC(C)(C)CCNC(=O)N1CCSC[C@@H](C(=O)OC)C1 ZINC000599120446 359407572 /nfs/dbraw/zinc/40/75/72/359407572.db2.gz BSWDJALNSWQXFW-LBPRGKRZSA-N 0 0 314.451 2.136 10 30 DEEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000599373667 359481590 /nfs/dbraw/zinc/48/15/90/359481590.db2.gz AFRLCAGLWXUICU-GFCCVEGCSA-N 0 0 310.375 2.490 10 30 DEEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)s2)C1 ZINC000599375813 359482861 /nfs/dbraw/zinc/48/28/61/359482861.db2.gz ZCZCKINPFSDRJJ-JTQLQIEISA-N 0 0 315.416 2.121 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000600024189 359634664 /nfs/dbraw/zinc/63/46/64/359634664.db2.gz KJAQGTMPJWVHQJ-GFCCVEGCSA-N 0 0 317.345 2.266 10 30 DEEERN C=CC[C@H]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000600214779 359692519 /nfs/dbraw/zinc/69/25/19/359692519.db2.gz SIEYPWGHQUSDOI-NSHDSACASA-N 0 0 318.329 2.420 10 30 DEEERN C#CCOc1ccccc1NC(=O)C(=O)N[C@H](C)C1CCCC1 ZINC000188104203 200193679 /nfs/dbraw/zinc/19/36/79/200193679.db2.gz GKDWIUFAEHQBGC-CYBMUJFWSA-N 0 0 314.385 2.332 10 30 DEEERN C=CCOCCCC(=O)N1CC[C@H](C(=O)OC)[C@H]2CCC[C@@H]21 ZINC000600546353 359765800 /nfs/dbraw/zinc/76/58/00/359765800.db2.gz BTDDUIQCOCKLDZ-ILXRZTDVSA-N 0 0 309.406 2.159 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CC[C@H](C(=O)OC)[C@@H]2CCC[C@H]21 ZINC000600548281 359766043 /nfs/dbraw/zinc/76/60/43/359766043.db2.gz TYBHYHRSXWADGU-CBBWQLFWSA-N 0 0 309.406 2.158 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(SC)nc1 ZINC000627687248 366591285 /nfs/dbraw/zinc/59/12/85/366591285.db2.gz ATAAZCJAKMGDEA-UHFFFAOYSA-N 0 0 307.419 2.461 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1c(C)nn(CC)c1C ZINC000627686711 366591765 /nfs/dbraw/zinc/59/17/65/366591765.db2.gz ADUITNQZLGPMFB-UHFFFAOYSA-N 0 0 306.410 2.177 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N(CCCCC(=O)OC(C)(C)C)C1=O ZINC000601069041 359911301 /nfs/dbraw/zinc/91/13/01/359911301.db2.gz QXXFRFPYBRGHGQ-LBPRGKRZSA-N 0 0 310.394 2.385 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccccc2OCCF)C1 ZINC000627732682 366603432 /nfs/dbraw/zinc/60/34/32/366603432.db2.gz ALCISWUSYHJUKD-ZDUSSCGKSA-N 0 0 320.364 2.398 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(OCC)c(C)n2)C1 ZINC000627733653 366603646 /nfs/dbraw/zinc/60/36/46/366603646.db2.gz ZPKMMCZXQHGVKS-ZDUSSCGKSA-N 0 0 317.389 2.152 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)N2CCc3cc(F)c(F)cc32)C1 ZINC000627735381 366604511 /nfs/dbraw/zinc/60/45/11/366604511.db2.gz RTYRAGVETQLQOA-NSHDSACASA-N 0 0 320.339 2.279 10 30 DEEERN C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC)cc2OC)C1 ZINC000627736450 366605963 /nfs/dbraw/zinc/60/59/63/366605963.db2.gz YNFHRVZZOQEPLB-LBPRGKRZSA-N 0 0 318.373 2.067 10 30 DEEERN CC(=O)N1CC[C@@H](CN(C)c2ncc(C#N)c3ccsc32)C1 ZINC000601135018 359935791 /nfs/dbraw/zinc/93/57/91/359935791.db2.gz QHRIOGIYQVEYJH-LBPRGKRZSA-N 0 0 314.414 2.473 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000627830957 366635713 /nfs/dbraw/zinc/63/57/13/366635713.db2.gz VOUKNDQFQMMOOK-GWCFXTLKSA-N 0 0 314.307 2.350 10 30 DEEERN C=C[C@H](CC(=O)NC1CC(N2CCOCC2)C1)c1ccccc1 ZINC000627937132 366665839 /nfs/dbraw/zinc/66/58/39/366665839.db2.gz JLMCKAWGSQTYBQ-FAEJEUNOSA-N 0 0 314.429 2.326 10 30 DEEERN C=C1CC(C)(C(=O)Nc2cnn(C(C)(C)C(=O)OCC)c2)C1 ZINC000601332304 360010772 /nfs/dbraw/zinc/01/07/72/360010772.db2.gz IJQTWKVEFQKTMM-UHFFFAOYSA-N 0 0 305.378 2.476 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)CCCSC ZINC000601449192 360043472 /nfs/dbraw/zinc/04/34/72/360043472.db2.gz WGCHKZOGBWYOEY-UHFFFAOYSA-N 0 0 300.468 2.307 10 30 DEEERN C=C(C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000601772163 360141951 /nfs/dbraw/zinc/14/19/51/360141951.db2.gz NNHNHEVDYAAXAK-LBPRGKRZSA-N 0 0 306.318 2.141 10 30 DEEERN C=C(C)C[C@@H](NC(=O)CCNc1ccccc1C)C(=O)OC ZINC000601776504 360143713 /nfs/dbraw/zinc/14/37/13/360143713.db2.gz AUAXNCZDBZGWGJ-OAHLLOKOSA-N 0 0 304.390 2.421 10 30 DEEERN C=C(C)C[C@@H](NC(=O)Cc1ccc(C(C)=O)cc1)C(=O)OC ZINC000601776950 360143887 /nfs/dbraw/zinc/14/38/87/360143887.db2.gz DBNSOQDWQQLAOI-OAHLLOKOSA-N 0 0 303.358 2.056 10 30 DEEERN C=C(C)C[C@H](NC(=O)[C@H](C)Sc1ccccn1)C(=O)OC ZINC000601780175 360144617 /nfs/dbraw/zinc/14/46/17/360144617.db2.gz BDQZIGFPSPHRKJ-RYUDHWBXSA-N 0 0 308.403 2.186 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1c[nH]c(C(F)(F)F)c1)C(=O)OC ZINC000601781763 360145635 /nfs/dbraw/zinc/14/56/35/360145635.db2.gz LKMVOBRVTSOMBX-SECBINFHSA-N 0 0 304.268 2.271 10 30 DEEERN C=C(C)C[C@H](NC(=O)Cc1cc(F)c(F)cc1F)C(=O)OC ZINC000601781312 360145931 /nfs/dbraw/zinc/14/59/31/360145931.db2.gz HZCJQWSSTABCPH-ZDUSSCGKSA-N 0 0 315.291 2.270 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)COc1ccccc1)C(=O)OC ZINC000601782860 360146687 /nfs/dbraw/zinc/14/66/87/360146687.db2.gz SHLSLSKEAJOKAL-DZGCQCFKSA-N 0 0 305.374 2.326 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@H](C)COc1ccccc1)C(=O)OC ZINC000601782872 360146857 /nfs/dbraw/zinc/14/68/57/360146857.db2.gz SHLSLSKEAJOKAL-UKRRQHHQSA-N 0 0 305.374 2.326 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1cccc2[nH]c(C)nc21)C(=O)OC ZINC000601783646 360147860 /nfs/dbraw/zinc/14/78/60/360147860.db2.gz XNYYRXAQFBVUJM-CYBMUJFWSA-N 0 0 301.346 2.109 10 30 DEEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)c1cccc(OC)c1)C(=O)OC ZINC000601783643 360148018 /nfs/dbraw/zinc/14/80/18/360148018.db2.gz ANVPLHUBPKRTNW-SWLSCSKDSA-N 0 0 305.374 2.423 10 30 DEEERN C=C(C)C[C@@H](NC(=O)c1noc2c1CCCCC2)C(=O)OC ZINC000601787214 360149797 /nfs/dbraw/zinc/14/97/97/360149797.db2.gz KSMVSYKKJJXYCX-GFCCVEGCSA-N 0 0 306.362 2.181 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)NCc1cc(C)c(C(=O)OC)o1 ZINC000601839919 360170349 /nfs/dbraw/zinc/17/03/49/360170349.db2.gz BTPXRWJXOGTLEB-INIZCTEOSA-N 0 0 309.362 2.220 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)NCc1cc(C)c(C(=O)OC)o1 ZINC000601839923 360170664 /nfs/dbraw/zinc/17/06/64/360170664.db2.gz BTPXRWJXOGTLEB-MRXNPFEDSA-N 0 0 309.362 2.220 10 30 DEEERN C=C(C)[C@H](CC(=O)NCc1cc(C)c(C(=O)OC)o1)OCC ZINC000601843633 360171551 /nfs/dbraw/zinc/17/15/51/360171551.db2.gz WOWRJJFCLASBLM-ZDUSSCGKSA-N 0 0 309.362 2.362 10 30 DEEERN N#Cc1ccc(CNC(=O)c2ccnn2CC(F)F)c(F)c1 ZINC000619113294 363709758 /nfs/dbraw/zinc/70/97/58/363709758.db2.gz OGNPZJVDVXLJJJ-UHFFFAOYSA-N 0 0 308.263 2.089 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1OC ZINC000619157796 363720998 /nfs/dbraw/zinc/72/09/98/363720998.db2.gz ZUBSWQKUCJVRRP-ARFHVFGLSA-N 0 0 316.401 2.138 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1c2cccc(C)c2C[C@H]1C(=O)OC ZINC000602420993 360364703 /nfs/dbraw/zinc/36/47/03/360364703.db2.gz XNQZKHFLBNDBKV-CJNGLKHVSA-N 0 0 317.385 2.407 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1c2cccc(C)c2C[C@@H]1C(=O)OC ZINC000602420994 360365185 /nfs/dbraw/zinc/36/51/85/360365185.db2.gz XNQZKHFLBNDBKV-CZUORRHYSA-N 0 0 317.385 2.407 10 30 DEEERN C=CCCCNC(=O)NCc1nc(C)c(C(=O)OCC)s1 ZINC000619207958 363736443 /nfs/dbraw/zinc/73/64/43/363736443.db2.gz UVSWAFYRMPPNAL-UHFFFAOYSA-N 0 0 311.407 2.394 10 30 DEEERN CO[C@@H]1C[C@H](c2nc(C)no2)N(c2cccc(F)c2C#N)C1 ZINC000190086570 200485137 /nfs/dbraw/zinc/48/51/37/200485137.db2.gz KRTDKRQPDGVPJD-QMTHXVAHSA-N 0 0 302.309 2.355 10 30 DEEERN C=CCOC[C@H](NC[C@@H]1CCc2ccccc2C1)C(=O)OC ZINC000602642856 360473756 /nfs/dbraw/zinc/47/37/56/360473756.db2.gz AQXVPJYBJJFCLT-PBHICJAKSA-N 0 0 303.402 2.125 10 30 DEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1c(C(=O)OC)cnn1C ZINC000603017252 360669427 /nfs/dbraw/zinc/66/94/27/360669427.db2.gz JZKXLLYXVAHKCD-WCQYABFASA-N 0 0 320.393 2.463 10 30 DEEERN N#Cc1ccc(CNC(=O)CCn2cc(Cl)cn2)c(F)c1 ZINC000609229354 361290135 /nfs/dbraw/zinc/29/01/35/361290135.db2.gz HMYQQQLVEKLWFC-UHFFFAOYSA-N 0 0 306.728 2.254 10 30 DEEERN CCn1nc(C)c(C(=O)NCc2ccc(C#N)cc2F)c1C ZINC000609231539 361290505 /nfs/dbraw/zinc/29/05/05/361290505.db2.gz CMMOXRMJDKEFLL-UHFFFAOYSA-N 0 0 300.337 2.461 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC000628142424 366736522 /nfs/dbraw/zinc/73/65/22/366736522.db2.gz CHXRCBWUPWDNLP-RVKKMQEKSA-N 0 0 302.418 2.393 10 30 DEEERN C[C@H]1CN(C(=O)NCc2ccc(C#N)cc2F)C[C@H](C2CC2)O1 ZINC000619363118 363773265 /nfs/dbraw/zinc/77/32/65/363773265.db2.gz UOKSPJIEAMUGDO-MEDUHNTESA-N 0 0 317.364 2.406 10 30 DEEERN C=CCOc1ccc(CC(=O)NCC2CCC(O)CC2)cc1 ZINC000619411303 363784750 /nfs/dbraw/zinc/78/47/50/363784750.db2.gz GKDWVHHKQIMAPP-UHFFFAOYSA-N 0 0 303.402 2.461 10 30 DEEERN Cn1ccnc1C[C@@H](NC(=O)CSCC#N)c1ccccc1 ZINC000610303991 361383716 /nfs/dbraw/zinc/38/37/16/361383716.db2.gz AGGIURLJYCVSSA-CQSZACIVSA-N 0 0 314.414 2.077 10 30 DEEERN N#Cc1cc(C(=O)O[C@H]([C@H]2CCCO2)C(F)(F)F)ccn1 ZINC000193676336 201101250 /nfs/dbraw/zinc/10/12/50/201101250.db2.gz WQDLSCWYPJGZLT-GHMZBOCLSA-N 0 0 300.236 2.220 10 30 DEEERN N#Cc1cccc(CC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c1 ZINC000610520375 361415194 /nfs/dbraw/zinc/41/51/94/361415194.db2.gz REDXUVMFYAJCEG-INIZCTEOSA-N 0 0 310.357 2.115 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)NCCCc1ccccc1 ZINC000628316226 366807365 /nfs/dbraw/zinc/80/73/65/366807365.db2.gz NPFIELQGAWPXCU-UHFFFAOYSA-N 0 0 302.418 2.454 10 30 DEEERN C=CC(C)(C)CCNC(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000628318127 366808152 /nfs/dbraw/zinc/80/81/52/366808152.db2.gz PMMXNMRMABGGMN-AWEZNQCLSA-N 0 0 302.374 2.495 10 30 DEEERN C=CC(C)(C)CCNC(=O)CCOc1cccc(C(N)=O)c1 ZINC000628315831 366808211 /nfs/dbraw/zinc/80/82/11/366808211.db2.gz YAQSIBIMBXMTBW-UHFFFAOYSA-N 0 0 304.390 2.273 10 30 DEEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000610495603 361409535 /nfs/dbraw/zinc/40/95/35/361409535.db2.gz AVGXFHSBKNKVTM-XHSDSOJGSA-N 0 0 311.385 2.100 10 30 DEEERN CO[C@@H]1C[C@@H](NC(=O)NCc2ccc(C#N)cc2F)C1(C)C ZINC000610651422 361437759 /nfs/dbraw/zinc/43/77/59/361437759.db2.gz ALNNSQGLAYJOFQ-ZIAGYGMSSA-N 0 0 305.353 2.310 10 30 DEEERN Cc1ccc(-n2nccc2NC(=O)Cc2cccc(C#N)c2)nn1 ZINC000610887865 361487416 /nfs/dbraw/zinc/48/74/16/361487416.db2.gz QCSVOZGRDDKEJO-UHFFFAOYSA-N 0 0 318.340 2.024 10 30 DEEERN N#C[C@H](NC(=O)c1ccnnc1)c1ccc(OC(F)(F)F)cc1 ZINC000611185879 361542837 /nfs/dbraw/zinc/54/28/37/361542837.db2.gz XUEZMMOWEDQIBW-LBPRGKRZSA-N 0 0 322.246 2.370 10 30 DEEERN CC(C)[C@H](O)C1(CNC(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000611434905 361599837 /nfs/dbraw/zinc/59/98/37/361599837.db2.gz BSRGXQNDCXFCEO-HNNXBMFYSA-N 0 0 319.380 2.294 10 30 DEEERN CO[C@@H]1CCC[C@H]1CNC(=O)NCc1ccc(C#N)cc1F ZINC000611375117 361587271 /nfs/dbraw/zinc/58/72/71/361587271.db2.gz CEVYLKXQTCFHIR-DZGCQCFKSA-N 0 0 305.353 2.312 10 30 DEEERN C=CCOCCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000611564268 361632141 /nfs/dbraw/zinc/63/21/41/361632141.db2.gz JFXALCZFXCDHGR-UHFFFAOYSA-N 0 0 319.361 2.471 10 30 DEEERN C=C[C@H](O)C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000611868578 361697594 /nfs/dbraw/zinc/69/75/94/361697594.db2.gz DLZBVXNUKKWAFX-QWHCGFSZSA-N 0 0 315.291 2.152 10 30 DEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H](C)C1(OC)CCC1 ZINC000611979243 361718689 /nfs/dbraw/zinc/71/86/89/361718689.db2.gz QMTNOQIPLKWUJQ-ZNMIVQPWSA-N 0 0 322.449 2.311 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NC[C@H](C)c1ccccn1 ZINC000612037345 361728877 /nfs/dbraw/zinc/72/88/77/361728877.db2.gz KINQDGQLJFCBJE-AWEZNQCLSA-N 0 0 303.406 2.164 10 30 DEEERN C=C[C@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)C(=O)OC ZINC000619702638 363859767 /nfs/dbraw/zinc/85/97/67/363859767.db2.gz PCCMZNUGYJOFBS-AWEZNQCLSA-N 0 0 305.374 2.459 10 30 DEEERN C=CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000619743097 363869651 /nfs/dbraw/zinc/86/96/51/363869651.db2.gz MVMBDTMWRHUPRL-IYBDPMFKSA-N 0 0 321.384 2.370 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2c(cnn2C)c1OC ZINC000620305810 364014250 /nfs/dbraw/zinc/01/42/50/364014250.db2.gz RQEFPOMRUGUXGQ-TXEJJXNPSA-N 0 0 312.373 2.300 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1nnn(Cc2ccncc2)c1C ZINC000620303069 364012638 /nfs/dbraw/zinc/01/26/38/364012638.db2.gz IERILXVWNZAHLF-IYBDPMFKSA-N 0 0 323.400 2.353 10 30 DEEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000620314597 364013675 /nfs/dbraw/zinc/01/36/75/364013675.db2.gz MXALHBUJYXGHHQ-GASCZTMLSA-N 0 0 305.422 2.090 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1 ZINC000628482042 366862590 /nfs/dbraw/zinc/86/25/90/366862590.db2.gz CMOQUXPLBSHJNM-OAHLLOKOSA-N 0 0 323.396 2.330 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)Cn2nc(-c3ccccc3)ccc2=O)C1 ZINC000628486784 366863910 /nfs/dbraw/zinc/86/39/10/366863910.db2.gz PTHLCPZMIVINCN-OAHLLOKOSA-N 0 0 323.396 2.335 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)CCNC(=O)c2ccc(F)cc2)C1 ZINC000628487105 366864980 /nfs/dbraw/zinc/86/49/80/366864980.db2.gz XVBCHQUIXKIQEK-CYBMUJFWSA-N 0 0 304.365 2.370 10 30 DEEERN Cc1cccn2c1ncc(C(=O)Nc1ccc(CC#N)cc1)c2=O ZINC000090996337 192969413 /nfs/dbraw/zinc/96/94/13/192969413.db2.gz NHKVPCGIQLGSGN-UHFFFAOYSA-N 0 0 318.336 2.321 10 30 DEEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc2c(n1)CCCC2=O ZINC000622881727 364819809 /nfs/dbraw/zinc/81/98/09/364819809.db2.gz MDELTCDVDOEEAE-CQSZACIVSA-N 0 0 315.373 2.010 10 30 DEEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(C)(c2ccccc2)C1 ZINC000623035104 364863784 /nfs/dbraw/zinc/86/37/84/364863784.db2.gz RAOYDDBVHDCOTP-INIZCTEOSA-N 0 0 300.402 2.257 10 30 DEEERN C=CC[C@H]1CCN(C(=O)NCC(=O)N(C)Cc2ccccc2)C1 ZINC000623464235 365040125 /nfs/dbraw/zinc/04/01/25/365040125.db2.gz RBNGTWGSSCAUAS-HNNXBMFYSA-N 0 0 315.417 2.253 10 30 DEEERN COc1ccc(O)c(C(=O)N2CCC(C#N)(SC)CC2)c1 ZINC000091473950 193061354 /nfs/dbraw/zinc/06/13/54/193061354.db2.gz VHPIWXPGUIMMLI-UHFFFAOYSA-N 0 0 306.387 2.262 10 30 DEEERN N#C[C@H]1CNCCN1CCOc1ccc(Cl)cc1Cl ZINC000091748262 193100927 /nfs/dbraw/zinc/10/09/27/193100927.db2.gz DGAMALKRRNTMKZ-NSHDSACASA-N 0 0 300.189 2.170 10 30 DEEERN C[C@@H](NC(=O)c1ccc(C#N)n1C)c1nc(C(C)(C)C)no1 ZINC000449996970 241336100 /nfs/dbraw/zinc/33/61/00/241336100.db2.gz RSVDRAZEEDSVIN-SECBINFHSA-N 0 0 301.350 2.068 10 30 DEEERN C=CCOCC(=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000629385231 367185645 /nfs/dbraw/zinc/18/56/45/367185645.db2.gz XBEKFTUJQLDRSL-UHFFFAOYSA-N 0 0 313.401 2.015 10 30 DEEERN C=CCOC[C@H]1NC(=O)N(CC2(C(F)(F)F)CCCC2)C1=O ZINC000629498815 367224771 /nfs/dbraw/zinc/22/47/71/367224771.db2.gz AVOJUSMCDFNFMR-SNVBAGLBSA-N 0 0 320.311 2.232 10 30 DEEERN C=C(C)[C@@H](CC(=O)Nc1nc(-c2ccccc2)no1)OCC ZINC000629956992 367398336 /nfs/dbraw/zinc/39/83/36/367398336.db2.gz NJLFPPPOQDLZII-CYBMUJFWSA-N 0 0 301.346 2.468 10 30 DEEERN CCOC(=O)[C@@H]1CN(c2ccc(Cl)cc2C#N)CC12COC2 ZINC000450560690 241958104 /nfs/dbraw/zinc/95/81/04/241958104.db2.gz FIGDQXJDAHFVJU-ZDUSSCGKSA-N 0 0 320.776 2.228 10 30 DEEERN COCC1(c2noc(-c3cc(C#N)cs3)n2)CCOCC1 ZINC000293122025 223405725 /nfs/dbraw/zinc/40/57/25/223405725.db2.gz HYEMHMVASULTSW-UHFFFAOYSA-N 0 0 305.359 2.364 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(c2cccc(OCCOC)c2)C1=O ZINC000630503617 367693301 /nfs/dbraw/zinc/69/33/01/367693301.db2.gz VICZWPJNZNVWKG-CQSZACIVSA-N 0 0 304.346 2.103 10 30 DEEERN C=CCOc1cccc(N2C(=O)N3C[C@@H](OC)C[C@@]3(C)C2=O)c1 ZINC000630504521 367694785 /nfs/dbraw/zinc/69/47/85/367694785.db2.gz JSEPGAVYAGIJPQ-YOEHRIQHSA-N 0 0 316.357 2.197 10 30 DEEERN Cc1ccc(NS(=O)(=O)c2ccc(CC#N)cc2)cc1N ZINC000092130564 193165924 /nfs/dbraw/zinc/16/59/24/193165924.db2.gz MXBLXDFFYKEGKJ-UHFFFAOYSA-N 0 0 301.371 2.444 10 30 DEEERN Cc1cc(NS(=O)(=O)c2ccc(CC#N)cc2)ccc1N ZINC000092130586 193166083 /nfs/dbraw/zinc/16/60/83/193166083.db2.gz UYVGDZBLVZJVTO-UHFFFAOYSA-N 0 0 301.371 2.444 10 30 DEEERN Cc1cc(N)ccc1NS(=O)(=O)c1ccc(CC#N)cc1 ZINC000092130543 193166200 /nfs/dbraw/zinc/16/62/00/193166200.db2.gz AURJJDUQCLNNQH-UHFFFAOYSA-N 0 0 301.371 2.444 10 30 DEEERN Cc1nc(CN(C)S(=O)(=O)c2ccc(CC#N)cc2)cs1 ZINC000092131839 193166644 /nfs/dbraw/zinc/16/66/44/193166644.db2.gz CXPNBCVXRMHYPE-UHFFFAOYSA-N 0 0 321.427 2.338 10 30 DEEERN CN(Cc1cscn1)S(=O)(=O)c1ccc(CC#N)cc1 ZINC000092131817 193166951 /nfs/dbraw/zinc/16/69/51/193166951.db2.gz KMQOMORJHOVKFC-UHFFFAOYSA-N 0 0 307.400 2.030 10 30 DEEERN C=C1CC(C)(C(=O)NCc2cccc(NC(=O)COC)c2)C1 ZINC000630726285 367814650 /nfs/dbraw/zinc/81/46/50/367814650.db2.gz KYNBMQPHLIZVLD-UHFFFAOYSA-N 0 0 302.374 2.244 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccc(OC(C)C)nc2)C1=O ZINC000630970935 367943763 /nfs/dbraw/zinc/94/37/63/367943763.db2.gz QXNUMKDMQRTSPK-CYBMUJFWSA-N 0 0 303.362 2.255 10 30 DEEERN C=C(C)C[C@@H]1NC(=O)N([C@@H](COC)c2ccc(CC)o2)C1=O ZINC000630975992 367946475 /nfs/dbraw/zinc/94/64/75/367946475.db2.gz LRVPMDRNMWUOCR-STQMWFEESA-N 0 0 306.362 2.416 10 30 DEEERN C=C(C)C[C@H]1NC(=O)N([C@H]2CCN(c3ccc(F)cc3)C2)C1=O ZINC000630983336 367949694 /nfs/dbraw/zinc/94/96/94/367949694.db2.gz AFLQDUTYIGUMFH-LSDHHAIUSA-N 0 0 317.364 2.291 10 30 DEEERN CC(=O)c1cccc(C#N)c1OCC(=O)N1CCC[C@@H](C)C1 ZINC000631027871 367975228 /nfs/dbraw/zinc/97/52/28/367975228.db2.gz HPSHTUKRIXPRMF-GFCCVEGCSA-N 0 0 300.358 2.398 10 30 DEEERN CC(=O)c1ccc(NC(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000631470449 368241832 /nfs/dbraw/zinc/24/18/32/368241832.db2.gz ZEVSRJLWGMSFSY-BETUJISGSA-N 0 0 314.389 2.339 10 30 DEEERN O=C(CSc1ccccc1)Nc1ncc(C#CCO)s1 ZINC000092232625 193177258 /nfs/dbraw/zinc/17/72/58/193177258.db2.gz SBNSLWOUUSGSHN-UHFFFAOYSA-N 0 0 304.396 2.218 10 30 DEEERN C=C1CC(C)(C(=O)NC[C@H](O)COc2ccc(F)c(F)c2)C1 ZINC000631814166 368399820 /nfs/dbraw/zinc/39/98/20/368399820.db2.gz DSQFNCKRAHNJKM-NSHDSACASA-N 0 0 311.328 2.177 10 30 DEEERN COC(=O)c1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)cc1 ZINC000007281650 181451953 /nfs/dbraw/zinc/45/19/53/181451953.db2.gz FAXPXRJOSRMLQK-VXLYETTFSA-N 0 0 309.325 2.006 10 30 DEEERN CCS(=O)(=O)[C@@H]1CSCCN1c1cccc(F)c1C#N ZINC000093406687 193245839 /nfs/dbraw/zinc/24/58/39/193245839.db2.gz VRBPVWWGRRSIQE-CYBMUJFWSA-N 0 0 314.407 2.011 10 30 DEEERN N#Cc1ccc2ncc(CN3CC[C@H](Oc4cccnc4)C3)n2c1 ZINC000093690990 193289275 /nfs/dbraw/zinc/28/92/75/193289275.db2.gz NRZGACGHUCCFCF-KRWDZBQOSA-N 0 0 319.368 2.254 10 30 DEEERN CC(C)N[C@]1(C#N)CCC[C@@H](Sc2nnnn2C2CC2)C1 ZINC000093746948 193300343 /nfs/dbraw/zinc/30/03/43/193300343.db2.gz VAXAGTHLLSAAHP-TZMCWYRMSA-N 0 0 306.439 2.303 10 30 DEEERN Cc1cc(=O)[nH]c(S[C@H]2CCC[C@@](C#N)(NC(C)C)C2)n1 ZINC000093746987 193300404 /nfs/dbraw/zinc/30/04/04/193300404.db2.gz POMTUTZDAFWOCV-SWLSCSKDSA-N 0 0 306.435 2.373 10 30 DEEERN C[C@@H](NC(=O)c1csc(C#CCCO)c1)c1nccs1 ZINC000093975322 193333232 /nfs/dbraw/zinc/33/32/32/193333232.db2.gz XZFYALVZQICOOE-SNVBAGLBSA-N 0 0 306.412 2.430 10 30 DEEERN N#Cc1ccc(C(F)(F)F)nc1Sc1nc(N)cc(N)n1 ZINC000094336956 193361423 /nfs/dbraw/zinc/36/14/23/193361423.db2.gz AQTAEOZEZNBARU-UHFFFAOYSA-N 0 0 312.280 2.078 10 30 DEEERN Cc1cc(C(=O)NCc2cccc(C)n2)sc1C#CCO ZINC000094535139 193377717 /nfs/dbraw/zinc/37/77/17/193377717.db2.gz XVOPDDPBVYXXRQ-UHFFFAOYSA-N 0 0 300.383 2.034 10 30 DEEERN CCOc1cc(/C=N/NC(=S)NC)cc(Cl)c1OC ZINC000007943977 181510347 /nfs/dbraw/zinc/51/03/47/181510347.db2.gz ZJIMIIQJDIRKQM-VIZOYTHASA-N 0 0 301.799 2.175 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](C)CCCO ZINC000453830051 245311899 /nfs/dbraw/zinc/31/18/99/245311899.db2.gz LCFTZSNUGZZSIK-CQSZACIVSA-N 0 0 318.417 2.269 10 30 DEEERN C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CCCC[C@H]1O ZINC000266403772 205320762 /nfs/dbraw/zinc/32/07/62/205320762.db2.gz MTZBGGXVOULQIW-GXTWGEPZSA-N 0 0 306.337 2.263 10 30 DEEERN Cc1c(Cl)cc(S(=O)(=O)N(C)CCC#N)cc1[N+](=O)[O-] ZINC000021046359 182263574 /nfs/dbraw/zinc/26/35/74/182263574.db2.gz XUXCVDGUHZKOFD-UHFFFAOYSA-N 0 0 317.754 2.091 10 30 DEEERN C=C(C)CN(C)C(=O)NCCc1cnc2c(Cl)cnn2c1 ZINC000455125049 246396559 /nfs/dbraw/zinc/39/65/59/246396559.db2.gz JVYVRCSLPHNDIN-UHFFFAOYSA-N 0 0 307.785 2.143 10 30 DEEERN CO[C@@H]([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1CC1 ZINC000456553077 247269671 /nfs/dbraw/zinc/26/96/71/247269671.db2.gz IKDQTWRFZYRVCC-WHCBVINPSA-N 0 0 324.421 2.178 10 30 DEEERN CO[C@@H]([C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1CC1 ZINC000456553075 247270137 /nfs/dbraw/zinc/27/01/37/247270137.db2.gz IKDQTWRFZYRVCC-PZSREKOKSA-N 0 0 324.421 2.178 10 30 DEEERN C=CCC[C@H](NC(=O)c1cn2ccnc2s1)C(=O)OCC ZINC000456599991 247301886 /nfs/dbraw/zinc/30/18/86/247301886.db2.gz DBWGTMZKADXBRX-JTQLQIEISA-N 0 0 307.375 2.024 10 30 DEEERN C=CCC[C@H](NC(=O)c1cc(O)ccc1OC)C(=O)OCC ZINC000456616677 247315792 /nfs/dbraw/zinc/31/57/92/247315792.db2.gz YDNODAPMLNFXQY-ZDUSSCGKSA-N 0 0 307.346 2.029 10 30 DEEERN C=CCC[C@H](CO)NC(=O)c1ccc2cc(OC)ccc2n1 ZINC000456759379 247404531 /nfs/dbraw/zinc/40/45/31/247404531.db2.gz RMYGNCCVBJVSDF-CYBMUJFWSA-N 0 0 300.358 2.300 10 30 DEEERN N#Cc1ccc(NC(=O)CCSc2nnc(N)s2)cc1 ZINC000037022707 182861854 /nfs/dbraw/zinc/86/18/54/182861854.db2.gz OTZMZTFWFOAYPV-UHFFFAOYSA-N 0 0 305.388 2.113 10 30 DEEERN C=CCC[C@@H](CO)NC(=O)NC1CCC(c2nc(C)no2)CC1 ZINC000458539737 248362153 /nfs/dbraw/zinc/36/21/53/248362153.db2.gz VYMWYSMYEVQMKI-RUXDESIVSA-N 0 0 322.409 2.031 10 30 DEEERN N#Cc1ccccc1COc1cccc(C(=O)NC2(CO)CC2)c1 ZINC000160242933 291664007 /nfs/dbraw/zinc/66/40/07/291664007.db2.gz ZOVLZOJMZRFSOI-UHFFFAOYSA-N 0 0 322.364 2.392 10 30 DEEERN N#Cc1ccccc1CS(=O)(=O)NC1(C#N)CCCCC1 ZINC000040215911 183046353 /nfs/dbraw/zinc/04/63/53/183046353.db2.gz AIAGXPSLWKJYOU-UHFFFAOYSA-N 0 0 303.387 2.204 10 30 DEEERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000329248509 296264680 /nfs/dbraw/zinc/26/46/80/296264680.db2.gz WQYFCRXVPXQVQS-YXCITZCRSA-N 0 0 315.435 2.304 10 30 DEEERN CCN(c1ccccc1)c1ncnc(N(CC#N)CC#N)c1N ZINC000040679527 183116147 /nfs/dbraw/zinc/11/61/47/183116147.db2.gz OLJNUUBPMSGCHX-UHFFFAOYSA-N 0 0 307.361 2.070 10 30 DEEERN C[C@@H](CN(C)C(=O)c1c(Cl)cccc1Cl)/C(N)=N/O ZINC000042458795 183272542 /nfs/dbraw/zinc/27/25/42/183272542.db2.gz WIQSOTRDCWAKLH-ZETCQYMHSA-N 0 0 304.177 2.448 10 30 DEEERN CC(C)N(CC/C(N)=N/O)c1ncccc1Br ZINC000042529345 183281280 /nfs/dbraw/zinc/28/12/80/183281280.db2.gz CNKHSUYYEDGEEJ-UHFFFAOYSA-N 0 0 301.188 2.195 10 30 DEEERN CC1(NS(=O)(=O)c2ccccc2C#CCO)CCCCC1 ZINC000045047662 183477402 /nfs/dbraw/zinc/47/74/02/183477402.db2.gz QYQZQXSPOXJFPB-UHFFFAOYSA-N 0 0 307.415 2.032 10 30 DEEERN CC1(C)CN(c2nccnc2C#N)C[C@@H](COc2ccccc2)O1 ZINC000284864627 218213130 /nfs/dbraw/zinc/21/31/30/218213130.db2.gz FOBFRGGSKKBLHG-HNNXBMFYSA-N 0 0 324.384 2.411 10 30 DEEERN Cc1ccc(N2CCCN(C(=O)c3cccc(C#N)c3)CC2)nn1 ZINC000105812186 194135152 /nfs/dbraw/zinc/13/51/52/194135152.db2.gz WWIHNGQTIGDMMA-UHFFFAOYSA-N 0 0 321.384 2.009 10 30 DEEERN C#CCNC(=O)COc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000106004096 194178345 /nfs/dbraw/zinc/17/83/45/194178345.db2.gz NDEYJBCYFWOMOO-UHFFFAOYSA-N 0 0 303.101 2.030 10 30 DEEERN C=CC[C@H](CO)NC(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000273661180 210959050 /nfs/dbraw/zinc/95/90/50/210959050.db2.gz GLEKVBAQBWNLDK-UPTPFMHGSA-N 0 0 318.417 2.053 10 30 DEEERN CN(CCC#N)C(=O)CCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000050470197 183787353 /nfs/dbraw/zinc/78/73/53/183787353.db2.gz GEOQYQBTRGYNCV-UHFFFAOYSA-N 0 0 311.725 2.389 10 30 DEEERN C[C@H](C#N)CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000054157644 183927143 /nfs/dbraw/zinc/92/71/43/183927143.db2.gz WMCCUWZEMYMKLP-SSDOTTSWSA-N 0 0 312.123 2.247 10 30 DEEERN C#CCOC[C@@H]1CCCN(C(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000056922925 184021766 /nfs/dbraw/zinc/02/17/66/184021766.db2.gz YNALUPPVVQHWAO-OAHLLOKOSA-N 0 0 314.385 2.147 10 30 DEEERN C[C@@H](C(=O)Nc1cc(C#CCO)ccc1Cl)n1cccn1 ZINC000061691502 184182703 /nfs/dbraw/zinc/18/27/03/184182703.db2.gz FXXGZDUZGXGXMI-NSHDSACASA-N 0 0 303.749 2.080 10 30 DEEERN CN(C(=O)c1c[nH]c(=NN)c(Cl)c1)c1ccc(C#N)cc1 ZINC000061949753 184198478 /nfs/dbraw/zinc/19/84/78/184198478.db2.gz ZVBWKCPYVVHAES-UHFFFAOYSA-N 0 0 301.737 2.169 10 30 DEEERN C[C@H]1CCc2c(C#N)c(NC(=O)c3n[nH]cc3N)sc2C1 ZINC000062811205 184253454 /nfs/dbraw/zinc/25/34/54/184253454.db2.gz BIEAWOHYMPRWMZ-ZETCQYMHSA-N 0 0 301.375 2.302 10 30 DEEERN CCC1(C)CCN(S(=O)(=O)c2ccc(N)cc2C#N)CC1 ZINC000062952747 184261878 /nfs/dbraw/zinc/26/18/78/184261878.db2.gz HLBBZYQBJNHKSA-UHFFFAOYSA-N 0 0 307.419 2.341 10 30 DEEERN N#CC1(NS(=O)(=O)C[C@@H]2CCCO2)CCCCCCC1 ZINC000063155887 184274779 /nfs/dbraw/zinc/27/47/79/184274779.db2.gz JACJSVNPBRZYKB-ZDUSSCGKSA-N 0 0 300.424 2.091 10 30 DEEERN CC1(C)CN(C(=O)c2csc(C#CCCO)c2)CCS1 ZINC000159024566 197320180 /nfs/dbraw/zinc/32/01/80/197320180.db2.gz ISHLZNICVUCQHK-UHFFFAOYSA-N 0 0 309.456 2.450 10 30 DEEERN N#Cc1ccccc1-c1ccccc1C(=O)N1CCNC(=O)CC1 ZINC000065903003 184382142 /nfs/dbraw/zinc/38/21/42/184382142.db2.gz KHWMXMLIVWWWFE-UHFFFAOYSA-N 0 0 319.364 2.187 10 30 DEEERN CCC(C)(C)N(C)S(=O)(=O)c1cccc(C#CCCO)c1 ZINC000069462244 184517603 /nfs/dbraw/zinc/51/76/03/184517603.db2.gz FOXKQMPJWCNAEJ-UHFFFAOYSA-N 0 0 309.431 2.230 10 30 DEEERN CC(C)[C@H](C)NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000114582451 194672389 /nfs/dbraw/zinc/67/23/89/194672389.db2.gz WLXOVZQTNIKVGC-DOTOQJQBSA-N 0 0 314.433 2.450 10 30 DEEERN Cc1ccc(C#N)cc1S(=O)(=O)N(CC(F)F)C1CC1 ZINC000114740206 194688222 /nfs/dbraw/zinc/68/82/22/194688222.db2.gz KQYRHZLLBAGEFZ-UHFFFAOYSA-N 0 0 300.330 2.285 10 30 DEEERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000556841916 291846648 /nfs/dbraw/zinc/84/66/48/291846648.db2.gz SXILYKWHWHAHTL-AWEZNQCLSA-N 0 0 304.321 2.254 10 30 DEEERN C=CCNC(=O)N[C@@H](CC)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000270153399 208212194 /nfs/dbraw/zinc/21/21/94/208212194.db2.gz WQPACYRTVNVOHF-JKSUJKDBSA-N 0 0 313.405 2.440 10 30 DEEERN C#CC[C@H](NC(=O)NCCCCC(=O)OC)c1ccccc1 ZINC000270378011 208455613 /nfs/dbraw/zinc/45/56/13/208455613.db2.gz FLUKJBVXNFAZPD-HNNXBMFYSA-N 0 0 302.374 2.394 10 30 DEEERN N#Cc1ccccc1COc1cccc(C(=O)N2CC(CO)C2)c1 ZINC000159121463 197329165 /nfs/dbraw/zinc/32/91/65/197329165.db2.gz XHBXHKGCARGSRQ-UHFFFAOYSA-N 0 0 322.364 2.202 10 30 DEEERN C#CCn1ncc(NCC(CC)CC)c(Br)c1=O ZINC000158936293 197312225 /nfs/dbraw/zinc/31/22/25/197312225.db2.gz BUQYZAQTRPCALI-UHFFFAOYSA-N 0 0 312.211 2.487 10 30 DEEERN C=CCOc1cccc(NC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c1 ZINC000120235551 195124399 /nfs/dbraw/zinc/12/43/99/195124399.db2.gz DPBIQHQKLFVQFL-OLZOCXBDSA-N 0 0 317.389 2.369 10 30 DEEERN O=C(NCC(F)(F)F)Nc1ccc(F)c(C#CCCO)c1 ZINC000158099578 197243448 /nfs/dbraw/zinc/24/34/48/197243448.db2.gz XTNOQUGQHACXDL-UHFFFAOYSA-N 0 0 304.243 2.243 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(C#N)cc3F)[C@@H]2C1 ZINC000158196609 197252326 /nfs/dbraw/zinc/25/23/26/197252326.db2.gz FWEKILCKULOANW-OIISXLGYSA-N 0 0 304.365 2.466 10 30 DEEERN CC[C@H]1CN(C(=O)c2cc(C)ccc2C#CCO)CCS1 ZINC000157974942 197232174 /nfs/dbraw/zinc/23/21/74/197232174.db2.gz JVCRHOIWIVXHNQ-HNNXBMFYSA-N 0 0 303.427 2.306 10 30 DEEERN N#C[C@]1(Cc2ccc([N+](=O)[O-])cc2Cl)CCS(=O)(=O)C1 ZINC000157577916 197198568 /nfs/dbraw/zinc/19/85/68/197198568.db2.gz AQZZQEFAAGZDQT-GFCCVEGCSA-N 0 0 314.750 2.119 10 30 DEEERN N#C[C@]1([C@@H](O)c2cccc(C(F)(F)F)c2)CCS(=O)(=O)C1 ZINC000157646024 197205056 /nfs/dbraw/zinc/20/50/56/197205056.db2.gz KQLCEOKMEBRNAU-NWDGAFQWSA-N 0 0 319.304 2.067 10 30 DEEERN CSC(C)(C)CNC(=O)c1ccc(F)cc1C#CCCO ZINC000157172516 197167682 /nfs/dbraw/zinc/16/76/82/197167682.db2.gz PGIVWRZVBMEPDH-UHFFFAOYSA-N 0 0 309.406 2.431 10 30 DEEERN O=C(NC[C@H]1CCCCS1)c1ccccc1C#CCCO ZINC000156559818 197123993 /nfs/dbraw/zinc/12/39/93/197123993.db2.gz JBIILTAWDHONCK-OAHLLOKOSA-N 0 0 303.427 2.436 10 30 DEEERN O=C(NC[C@@H]1CCCCS1)c1cc(C#CCO)ccc1F ZINC000156560694 197124097 /nfs/dbraw/zinc/12/40/97/197124097.db2.gz BSLOTBKQUMKAKE-ZDUSSCGKSA-N 0 0 307.390 2.185 10 30 DEEERN O=C(NC[C@@H]1CCCCS1)c1csc(C#CCCO)c1 ZINC000156563539 197123577 /nfs/dbraw/zinc/12/35/77/197123577.db2.gz SJCRVQFHISWAHB-AWEZNQCLSA-N 0 0 309.456 2.498 10 30 DEEERN COc1ccc2c(c1)ncn(Cc1ccc(OC)c(C#N)c1)c2=O ZINC000155968210 197077575 /nfs/dbraw/zinc/07/75/75/197077575.db2.gz FMXVBOJXOBPWQK-UHFFFAOYSA-N 0 0 321.336 2.334 10 30 DEEERN CCN(C(=O)[C@H]1CSC(=O)N1)[C@H](C)c1ccc(C#N)cc1 ZINC000155320755 197043159 /nfs/dbraw/zinc/04/31/59/197043159.db2.gz SBIVSXMZLRKLRX-ZWNOBZJWSA-N 0 0 303.387 2.293 10 30 DEEERN C[C@@]12CC[C@@H]3[C@H](CC(=O)C4=CC(=O)CC[C@@]43C)[C@@]1(O)CCC2=O ZINC000253629649 257257890 /nfs/dbraw/zinc/25/78/90/257257890.db2.gz UKVVNEHFNYKGMX-GIVQOTOQSA-N 0 0 316.397 2.381 10 30 DEEERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Nc1cccc(C#N)c1)CC2 ZINC000120957614 195270900 /nfs/dbraw/zinc/27/09/00/195270900.db2.gz WPZVAHNCCIFMRX-AWEZNQCLSA-N 0 0 324.388 2.410 10 30 DEEERN CSC[C@H](C)N(C)C(=O)c1ccc(F)cc1C#CCCO ZINC000124511223 195648967 /nfs/dbraw/zinc/64/89/67/195648967.db2.gz XZAXUNHOFVIDIK-LBPRGKRZSA-N 0 0 309.406 2.383 10 30 DEEERN C[C@@]1(CNC(=O)c2sccc2C#CCCO)CCCS1 ZINC000124570966 195655546 /nfs/dbraw/zinc/65/55/46/195655546.db2.gz FIACKJONLSGKNC-HNNXBMFYSA-N 0 0 309.456 2.498 10 30 DEEERN C[C@H](CC#N)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000194722430 533608666 /nfs/dbraw/zinc/60/86/66/533608666.db2.gz VTZDVFOAGZMPJS-GFCCVEGCSA-N 0 0 317.364 2.096 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCOc2ncccc21 ZINC000177218403 132525929 /nfs/dbraw/zinc/52/59/29/132525929.db2.gz XOUJKSVICDQSGV-LBPRGKRZSA-N 0 0 309.325 2.146 10 30 DEEERN CC(=O)N1CCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000350052347 132864083 /nfs/dbraw/zinc/86/40/83/132864083.db2.gz JUMGYVUBFSBZPZ-GFCCVEGCSA-N 0 0 303.387 2.058 10 30 DEEERN N#Cc1ccnc(NC(=O)c2ccncc2Br)c1 ZINC000357423631 133077084 /nfs/dbraw/zinc/07/70/84/133077084.db2.gz LNBDRELZMWTWMO-UHFFFAOYSA-N 0 0 303.119 2.363 10 30 DEEERN N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@@H](CO)C1CC1 ZINC000357772842 133098972 /nfs/dbraw/zinc/09/89/72/133098972.db2.gz DEQCQRQKOFKUMB-JTQLQIEISA-N 0 0 321.302 2.376 10 30 DEEERN C[C@H](C(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C)n1cnc(C#N)n1 ZINC000360689352 133195019 /nfs/dbraw/zinc/19/50/19/133195019.db2.gz MOBIJEYOEQUBHE-JHJVBQTASA-N 0 0 303.410 2.384 10 30 DEEERN C[C@H](C(=O)Nc1ccc(F)cc1-n1cccc1)n1cnc(C#N)n1 ZINC000361894556 133198554 /nfs/dbraw/zinc/19/85/54/133198554.db2.gz PVDSMXFWGWVNHV-LLVKDONJSA-N 0 0 324.319 2.279 10 30 DEEERN Cc1oc(C#N)cc1C(=O)N1CCn2c(C(C)C)nnc2[C@H]1C ZINC000376455494 133295582 /nfs/dbraw/zinc/29/55/82/133295582.db2.gz QVIOIXNOZLVGGK-SNVBAGLBSA-N 0 0 313.361 2.392 10 30 DEEERN N#Cc1ccc(CSCCOCCO)c(OC(F)F)c1 ZINC000547301998 285554912 /nfs/dbraw/zinc/55/49/12/285554912.db2.gz HOEBGKRVMJOOHA-UHFFFAOYSA-N 0 0 303.330 2.402 10 30 DEEERN N#Cc1ccncc1N1CCC[C@H](Cc2nnc3ccccn32)C1 ZINC000372808431 133367145 /nfs/dbraw/zinc/36/71/45/133367145.db2.gz YDPXYQDWARBAFY-CQSZACIVSA-N 0 0 318.384 2.455 10 30 DEEERN C[C@@H](C(=O)Nc1ccc(O)c2ccccc12)n1cnc(C#N)n1 ZINC000548820100 285801678 /nfs/dbraw/zinc/80/16/78/285801678.db2.gz JWVIRKIRTUPMRD-JTQLQIEISA-N 0 0 307.313 2.208 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000120441176 144673149 /nfs/dbraw/zinc/67/31/49/144673149.db2.gz NCOPIQXDKBMYOL-PBHICJAKSA-N 0 0 324.380 2.045 10 30 DEEERN COc1cccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000130710266 144755561 /nfs/dbraw/zinc/75/55/61/144755561.db2.gz BDXKJCGOMRFBRN-UHFFFAOYSA-N 0 0 308.337 2.470 10 30 DEEERN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)C(C)C ZINC000172524209 144823495 /nfs/dbraw/zinc/82/34/95/144823495.db2.gz XQJZLGPXFJTTEH-GFCCVEGCSA-N 0 0 317.389 2.304 10 30 DEEERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(F)c(C#N)c2)C1 ZINC000189340824 145026064 /nfs/dbraw/zinc/02/60/64/145026064.db2.gz JBTUQARDXGVMTD-DZGCQCFKSA-N 0 0 316.336 2.351 10 30 DEEERN CCc1nnc(C2CCN(C(=O)c3cc(C#N)cs3)CC2)[nH]1 ZINC000191538905 145060305 /nfs/dbraw/zinc/06/03/05/145060305.db2.gz TWDRRJDDVYBBHM-UHFFFAOYSA-N 0 0 315.402 2.320 10 30 DEEERN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccnc(C#N)c1 ZINC000192492194 145074674 /nfs/dbraw/zinc/07/46/74/145074674.db2.gz VROYSOMMSKUXLW-UHFFFAOYSA-N 0 0 309.325 2.344 10 30 DEEERN COc1ccc(NC(=O)c2ccnc(C#N)c2)cc1NC(C)=O ZINC000192510587 145074735 /nfs/dbraw/zinc/07/47/35/145074735.db2.gz QCYYQLHMHSSZFW-UHFFFAOYSA-N 0 0 310.313 2.173 10 30 DEEERN CCn1c(CCNC(=O)c2ccnc(C#N)c2)nc2ccccc21 ZINC000192971015 145081045 /nfs/dbraw/zinc/08/10/45/145081045.db2.gz IKFZMBDRCMONAU-UHFFFAOYSA-N 0 0 319.368 2.295 10 30 DEEERN CC[C@@H](C)Oc1cc(CNC(=O)c2ccnc(C#N)c2)ccn1 ZINC000193768321 145089571 /nfs/dbraw/zinc/08/95/71/145089571.db2.gz YIIMXOIXUJXYST-GFCCVEGCSA-N 0 0 310.357 2.456 10 30 DEEERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(C#N)cc1OC ZINC000248784984 145167586 /nfs/dbraw/zinc/16/75/86/145167586.db2.gz CMKAXFTUIZVOIU-KMFMINBZSA-N 0 0 314.385 2.340 10 30 DEEERN Cc1ncc(S(=O)(=O)N[C@@H](C)c2cccs2)cc1C#N ZINC000312418782 145354922 /nfs/dbraw/zinc/35/49/22/145354922.db2.gz OXUQECLVUSTBSC-JTQLQIEISA-N 0 0 307.400 2.363 10 30 DEEERN C[C@@H](C(=O)NC[C@H]1CCCCC(F)(F)C1)n1cnc(C#N)n1 ZINC000358778163 147203763 /nfs/dbraw/zinc/20/37/63/147203763.db2.gz CBOWHGFCVXBYTM-QWRGUYRKSA-N 0 0 311.336 2.043 10 30 DEEERN N#Cc1cccc([C@@H]2CN(C(=O)Cc3cccc(O)c3)CCO2)c1 ZINC000374359140 148235341 /nfs/dbraw/zinc/23/53/41/148235341.db2.gz NBFQXAHGDYJCJY-SFHVURJKSA-N 0 0 322.364 2.406 10 30 DEEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)Cc1nccs1 ZINC000074528412 401741220 /nfs/dbraw/zinc/74/12/20/401741220.db2.gz BGQZKDNCCPNDGE-NSHDSACASA-N 0 0 301.371 2.441 10 30 DEEERN C=CCNC(=O)c1ccc(NC(=O)c2cnn3c2CCCC3)cc1 ZINC000126358220 401691127 /nfs/dbraw/zinc/69/11/27/401691127.db2.gz UFKYAPOBBLWPPQ-UHFFFAOYSA-N 0 0 324.384 2.388 10 30 DEEERN CCOCCOCC(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000110842643 401694280 /nfs/dbraw/zinc/69/42/80/401694280.db2.gz RZZCJZIYKLTQNC-KRWDZBQOSA-N 0 0 304.390 2.071 10 30 DEEERN N#Cc1cnc(NCc2cc3c(cc2OC(F)F)OCO3)cn1 ZINC000126895331 401712707 /nfs/dbraw/zinc/71/27/07/401712707.db2.gz AXNOVNQWXYWIKA-UHFFFAOYSA-N 0 0 320.255 2.290 10 30 DEEERN C=CCCCN(C)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000077595231 401821751 /nfs/dbraw/zinc/82/17/51/401821751.db2.gz YMHFFRGEOVEQTQ-OAHLLOKOSA-N 0 0 301.390 2.400 10 30 DEEERN C=CCCCN(C)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000077723160 401827568 /nfs/dbraw/zinc/82/75/68/401827568.db2.gz FZZOBWXVJQTFIM-UHFFFAOYSA-N 0 0 311.407 2.488 10 30 DEEERN C[C@@H](C(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1cccnc1 ZINC000130437459 401832196 /nfs/dbraw/zinc/83/21/96/401832196.db2.gz IFPREMJKKNIXRC-CYBMUJFWSA-N 0 0 307.353 2.347 10 30 DEEERN N#CCCN(CCC#N)C(=O)CN1CCC[C@H]1c1ccco1 ZINC000116297487 401848788 /nfs/dbraw/zinc/84/87/88/401848788.db2.gz MEIYOKYLBRCBSD-AWEZNQCLSA-N 0 0 300.362 2.072 10 30 DEEERN C=CCC(CC=C)C(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000132300642 401864934 /nfs/dbraw/zinc/86/49/34/401864934.db2.gz HFNUWAQZYSHXHZ-QGZVFWFLSA-N 0 0 317.433 2.496 10 30 DEEERN C=C[C@@](C)(CC)C(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000135036110 401925142 /nfs/dbraw/zinc/92/51/42/401925142.db2.gz ZLEGBUDXZQNZJP-RDJZCZTQSA-N 0 0 305.422 2.330 10 30 DEEERN Cc1ccnc(-n2cc(I)cn2)c1C#N ZINC000135088197 401926772 /nfs/dbraw/zinc/92/67/72/401926772.db2.gz JEFCUGNRUOSZBT-UHFFFAOYSA-N 0 0 310.098 2.052 10 30 DEEERN COc1cc(/C=C\C(=O)c2ccnn2C)cc(OC)c1OC ZINC000033797136 401891708 /nfs/dbraw/zinc/89/17/08/401891708.db2.gz DPTUBNLERGOHAK-WAYWQWQTSA-N 0 0 302.330 2.342 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000080983185 401892898 /nfs/dbraw/zinc/89/28/98/401892898.db2.gz PDEMARYKVOIARM-UHFFFAOYSA-N 0 0 319.368 2.072 10 30 DEEERN C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1nnc2n1CCCC2 ZINC000135323140 401935979 /nfs/dbraw/zinc/93/59/79/401935979.db2.gz LOSZQBXHTIQPRL-CYBMUJFWSA-N 0 0 323.400 2.296 10 30 DEEERN C=CCOc1cccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000118811308 401908841 /nfs/dbraw/zinc/90/88/41/401908841.db2.gz GQOSTIHIMLWNFL-OAHLLOKOSA-N 0 0 317.389 2.336 10 30 DEEERN C=C(C)COCCNC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000135010845 401923916 /nfs/dbraw/zinc/92/39/16/401923916.db2.gz KZEXXLFNERJHGM-CQSZACIVSA-N 0 0 310.419 2.424 10 30 DEEERN C=C[C@@H](CC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000136088403 401960195 /nfs/dbraw/zinc/96/01/95/401960195.db2.gz LLBCTBLPAIRSSH-WMZOPIPTSA-N 0 0 314.429 2.279 10 30 DEEERN CCOC(=O)CC[C@H](C)NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000089938917 401975972 /nfs/dbraw/zinc/97/59/72/401975972.db2.gz KCSVJDQMMPQJGL-ZDUSSCGKSA-N 0 0 317.389 2.431 10 30 DEEERN CCO[C@@H](C)c1nc(CN(C)C(=O)Nc2ncnn2C)cs1 ZINC000091186517 401995163 /nfs/dbraw/zinc/99/51/63/401995163.db2.gz PTBSMUNYNZXYKB-VIFPVBQESA-N 0 0 324.410 2.047 10 30 DEEERN COC(=O)[C@@H](C)CN(C(=O)c1ccc(C#N)cc1C)C1CC1 ZINC000119314949 401940557 /nfs/dbraw/zinc/94/05/57/401940557.db2.gz WLDQPRCHZIYRQY-LBPRGKRZSA-N 0 0 300.358 2.280 10 30 DEEERN Cc1ccc(CC(=O)NCCOc2ccc(C#N)cc2)cc1O ZINC000089454108 401947941 /nfs/dbraw/zinc/94/79/41/401947941.db2.gz VVMOESGDUOAGFM-UHFFFAOYSA-N 0 0 310.353 2.310 10 30 DEEERN CC(C)(C)OC(=O)N1CC[C@H]([S@](=O)c2cc(C#N)ccn2)C1 ZINC000095083183 402024759 /nfs/dbraw/zinc/02/47/59/402024759.db2.gz RKVCIOCRJPDCDN-AMXDTQDGSA-N 0 0 321.402 2.070 10 30 DEEERN C=CCCCCCN(C)S(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000151677187 402049717 /nfs/dbraw/zinc/04/97/17/402049717.db2.gz IZIXPKDRXUBMBY-UHFFFAOYSA-N 0 0 324.446 2.413 10 30 DEEERN CN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122489136 402081186 /nfs/dbraw/zinc/08/11/86/402081186.db2.gz JCCSOGLFKQFHDA-MRXNPFEDSA-N 0 0 321.384 2.089 10 30 DEEERN CCN(CC)C(=O)C1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000123145734 402113530 /nfs/dbraw/zinc/11/35/30/402113530.db2.gz OSMABDNMWGSDRL-UHFFFAOYSA-N 0 0 305.422 2.177 10 30 DEEERN O=C(NO)[C@H]1CC(c2ccc(OCc3ccccc3)cc2)=NO1 ZINC000103254168 402182688 /nfs/dbraw/zinc/18/26/88/402182688.db2.gz NXVZYEJQVDIBNN-MRXNPFEDSA-N 0 0 312.325 2.264 10 30 DEEERN CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000153782262 402170543 /nfs/dbraw/zinc/17/05/43/402170543.db2.gz WNUIUMSTWCMSNI-ZBFHGGJFSA-N 0 0 315.417 2.124 10 30 DEEERN C=CCCCN(C)C(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000125108275 402213753 /nfs/dbraw/zinc/21/37/53/402213753.db2.gz SVRVCTCDDKFYPZ-UHFFFAOYSA-N 0 0 319.405 2.492 10 30 DEEERN N#Cc1cnc(NCc2cccnc2OCC(F)(F)F)cn1 ZINC000106464301 402214086 /nfs/dbraw/zinc/21/40/86/402214086.db2.gz FLVHHNVJHWCHHG-UHFFFAOYSA-N 0 0 309.251 2.296 10 30 DEEERN CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1Nc1cnc(C#N)cn1 ZINC000125654114 402243589 /nfs/dbraw/zinc/24/35/89/402243589.db2.gz YMPSHMKXFCPMQU-DGCLKSJQSA-N 0 0 317.393 2.454 10 30 DEEERN C=CCCO[C@H](C)C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000155622837 402262966 /nfs/dbraw/zinc/26/29/66/402262966.db2.gz WVXHUMMTLNPMQH-ZIAGYGMSSA-N 0 0 314.389 2.426 10 30 DEEERN C=CCCOCCNC(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000126179685 402268388 /nfs/dbraw/zinc/26/83/88/402268388.db2.gz AIPMCDRONQWWAK-ZFWWWQNUSA-N 0 0 304.390 2.443 10 30 DEEERN CN(CCC1CC1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184583394 402279346 /nfs/dbraw/zinc/27/93/46/402279346.db2.gz KBYZPCBJTCNDLL-UHFFFAOYSA-N 0 0 310.361 2.403 10 30 DEEERN Cc1ccc2c(c1)nc(CNC(=O)c1cc(C#N)cn1C)n2C ZINC000184592229 402281264 /nfs/dbraw/zinc/28/12/64/402281264.db2.gz DEFRWRPRLYXBND-UHFFFAOYSA-N 0 0 307.357 2.022 10 30 DEEERN C=CCOc1ccc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000156993579 402290816 /nfs/dbraw/zinc/29/08/16/402290816.db2.gz MRCFKAZZKIWHJP-MRXNPFEDSA-N 0 0 321.442 2.403 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(C)c(C(=O)OCC)s1 ZINC000184687189 402291882 /nfs/dbraw/zinc/29/18/82/402291882.db2.gz WFXIENZENIVRIC-SNVBAGLBSA-N 0 0 312.391 2.292 10 30 DEEERN N#Cc1cccnc1-n1cc(NC(=O)Nc2nccs2)cn1 ZINC000185898738 402387385 /nfs/dbraw/zinc/38/73/85/402387385.db2.gz PSNJVHVJRFIWGV-UHFFFAOYSA-N 0 0 311.330 2.239 10 30 DEEERN C[C@@H](CN(Cc1ccc(C#N)cc1)C1CC1)CS(C)(=O)=O ZINC000176972994 402355887 /nfs/dbraw/zinc/35/58/87/402355887.db2.gz MTFMUYMGNMRERU-ZDUSSCGKSA-N 0 0 306.431 2.203 10 30 DEEERN CC(C)n1cc(C#N)c(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)n1 ZINC000177000704 402358165 /nfs/dbraw/zinc/35/81/65/402358165.db2.gz MRLJQVSWWNVKNE-CQSZACIVSA-N 0 0 324.340 2.056 10 30 DEEERN COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000177034061 402361699 /nfs/dbraw/zinc/36/16/99/402361699.db2.gz PSHZWAXNWWIIGJ-KRWDZBQOSA-N 0 0 324.384 2.375 10 30 DEEERN CCN1C(=O)CCc2cc(NC(=O)c3cc(C#N)cn3C)ccc21 ZINC000185596283 402364042 /nfs/dbraw/zinc/36/40/42/402364042.db2.gz NTFAQZCOCYORDB-UHFFFAOYSA-N 0 0 322.368 2.448 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cnc(Cc2ccccc2)s1 ZINC000185730741 402372680 /nfs/dbraw/zinc/37/26/80/402372680.db2.gz NNXNOAUFNRTHSC-CYBMUJFWSA-N 0 0 302.399 2.401 10 30 DEEERN CC(C)n1cc(C#N)c(NC(=O)[C@H]2Cc3cc(F)ccc3O2)n1 ZINC000161107997 402373474 /nfs/dbraw/zinc/37/34/74/402373474.db2.gz DCISGNVGANRDBS-CQSZACIVSA-N 0 0 314.320 2.417 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000185914545 402388627 /nfs/dbraw/zinc/38/86/27/402388627.db2.gz VPPFHBKDKRKSSL-ZDUSSCGKSA-N 0 0 304.321 2.076 10 30 DEEERN C=CC[C@H](CO)NC(=O)Cc1csc(Cc2ccccc2)n1 ZINC000185790032 402377144 /nfs/dbraw/zinc/37/71/44/402377144.db2.gz SYSRAFRHZXCYSS-CQSZACIVSA-N 0 0 316.426 2.330 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1cc(F)ccc1Br ZINC000185807959 402379067 /nfs/dbraw/zinc/37/90/67/402379067.db2.gz AUJYHQPBHJCYSK-NSHDSACASA-N 0 0 316.170 2.184 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Cc1csc(-c2cccs2)n1 ZINC000185831952 402381041 /nfs/dbraw/zinc/38/10/41/402381041.db2.gz YVHUPKONGAJGQY-JTQLQIEISA-N 0 0 308.428 2.467 10 30 DEEERN C=CC[C@H](CO)NC(=O)CCCOc1ccc(C(C)=O)cc1 ZINC000185839665 402381863 /nfs/dbraw/zinc/38/18/63/402381863.db2.gz HZSNPKVYEBEOJJ-OAHLLOKOSA-N 0 0 305.374 2.101 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000185845922 402382354 /nfs/dbraw/zinc/38/23/54/402382354.db2.gz XSYUKNOWYOHACX-JTQLQIEISA-N 0 0 307.419 2.425 10 30 DEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCCc1cccc(O)c1 ZINC000160185437 402337738 /nfs/dbraw/zinc/33/77/38/402337738.db2.gz PTUWZHZJKSDHPX-CYBMUJFWSA-N 0 0 310.353 2.390 10 30 DEEERN C=C(Br)CN1CCN(c2cccs2)C(=O)C1 ZINC000186066893 402399170 /nfs/dbraw/zinc/39/91/70/402399170.db2.gz PDGYBSKYQOBONT-UHFFFAOYSA-N 0 0 301.209 2.305 10 30 DEEERN N#CCCN(CCC#N)C(=O)CN1Cc2ccccc2C2(CC2)C1 ZINC000186153229 402406032 /nfs/dbraw/zinc/40/60/32/402406032.db2.gz DKHFYHDDPQFSSF-UHFFFAOYSA-N 0 0 322.412 2.190 10 30 DEEERN N#Cc1cccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000162654989 402427131 /nfs/dbraw/zinc/42/71/31/402427131.db2.gz SWFLPRIVZSJTGG-WMZOPIPTSA-N 0 0 313.401 2.395 10 30 DEEERN CN(C[C@@H]1CCCO1)C(=O)Nc1ncccc1OCCCC#N ZINC000186443405 402431501 /nfs/dbraw/zinc/43/15/01/402431501.db2.gz VJLKHDXOUNKNDS-ZDUSSCGKSA-N 0 0 318.377 2.407 10 30 DEEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000186461691 402432756 /nfs/dbraw/zinc/43/27/56/402432756.db2.gz ZQTBJFHHEIGZPJ-DGCLKSJQSA-N 0 0 316.361 2.034 10 30 DEEERN C=CC[C@H](CO)NC(=O)c1cc(=O)[nH]c2c(F)cc(C)cc12 ZINC000185922296 402389690 /nfs/dbraw/zinc/38/96/90/402389690.db2.gz UXYOZPIIKIFDHK-SNVBAGLBSA-N 0 0 304.321 2.055 10 30 DEEERN Cc1c(C#N)cccc1NC(=O)N1CCN(c2cccnn2)CC1 ZINC000178552827 402510948 /nfs/dbraw/zinc/51/09/48/402510948.db2.gz NVORWNUVRODPKB-UHFFFAOYSA-N 0 0 322.372 2.011 10 30 DEEERN Cc1cc(C#N)ccc1C(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000164185914 402460136 /nfs/dbraw/zinc/46/01/36/402460136.db2.gz LRRXHYIGWUDJEU-KRWDZBQOSA-N 0 0 319.364 2.180 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000186846534 402467571 /nfs/dbraw/zinc/46/75/71/402467571.db2.gz JHFMWMNISLPSTM-INIZCTEOSA-N 0 0 322.430 2.152 10 30 DEEERN Cc1cc(N2CCN(Cc3cn4ccccc4c3C#N)CC2)n[nH]1 ZINC000187269337 402490936 /nfs/dbraw/zinc/49/09/36/402490936.db2.gz MBOSUFXEKYGBRP-UHFFFAOYSA-N 0 0 320.400 2.165 10 30 DEEERN C#Cc1cccc(NC(=O)N2CCN(c3cc(C)[nH]n3)CC2)c1 ZINC000187529056 402503869 /nfs/dbraw/zinc/50/38/69/402503869.db2.gz ITQCKYHNEBWYDS-UHFFFAOYSA-N 0 0 309.373 2.054 10 30 DEEERN Cc1cccc2c1OCC[C@H]2NC(=O)C1(C#N)CCOCC1 ZINC000189585242 402546760 /nfs/dbraw/zinc/54/67/60/402546760.db2.gz RHYFRRRBBGFJEF-CQSZACIVSA-N 0 0 300.358 2.255 10 30 DEEERN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CCCO1 ZINC000171113216 402558617 /nfs/dbraw/zinc/55/86/17/402558617.db2.gz CTHQURFBLGMNCD-JTQLQIEISA-N 0 0 314.794 2.011 10 30 DEEERN C#C[C@H](C)NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000248534708 402595265 /nfs/dbraw/zinc/59/52/65/402595265.db2.gz JPSBBGRTDUSRGB-CQDKDKBSSA-N 0 0 305.809 2.406 10 30 DEEERN C[C@H]1OCC[C@H]1S(=O)(=O)Oc1ccc(C#N)c(Cl)c1 ZINC000190545883 402608984 /nfs/dbraw/zinc/60/89/84/402608984.db2.gz OFSUNQYCBAACDJ-PRHODGIISA-N 0 0 301.751 2.098 10 30 DEEERN COC(=O)C1CCC(C(=O)Nc2ccc(C#N)c(C#N)c2)CC1 ZINC000180215674 402610329 /nfs/dbraw/zinc/61/03/29/402610329.db2.gz RJEBKKZBFRZALR-UHFFFAOYSA-N 0 0 311.341 2.348 10 30 DEEERN C=CCCC[C@H](C)NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000181088794 402635090 /nfs/dbraw/zinc/63/50/90/402635090.db2.gz FWJROERTLRVBQO-OWCLPIDISA-N 0 0 309.454 2.093 10 30 DEEERN C=C(C)CN(C)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000181495176 402647344 /nfs/dbraw/zinc/64/73/44/402647344.db2.gz RHZDQXSQHUNAMB-CQSZACIVSA-N 0 0 303.406 2.491 10 30 DEEERN N#Cc1cc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)c[nH]1 ZINC000181581024 402650683 /nfs/dbraw/zinc/65/06/83/402650683.db2.gz WMNBMKIMENUTSM-KBPBESRZSA-N 0 0 305.403 2.013 10 30 DEEERN C=C(C)CN(C)C(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000181644951 402652671 /nfs/dbraw/zinc/65/26/71/402652671.db2.gz MXSJSNYICFJWEB-CYBMUJFWSA-N 0 0 314.389 2.003 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCCn1ccc2ccccc21 ZINC000182793119 402716432 /nfs/dbraw/zinc/71/64/32/402716432.db2.gz BXDBGKZZOGVOHZ-HNNXBMFYSA-N 0 0 301.390 2.268 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000182809083 402717971 /nfs/dbraw/zinc/71/79/71/402717971.db2.gz XJXSBBMPSDHJQG-NEPJUHHUSA-N 0 0 308.378 2.001 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000182826080 402719138 /nfs/dbraw/zinc/71/91/38/402719138.db2.gz XLHUUNUOJWYAGE-LLVKDONJSA-N 0 0 318.295 2.321 10 30 DEEERN COc1cc(Br)ccc1CN1CCN(CC#N)CC1 ZINC000182150677 402669099 /nfs/dbraw/zinc/66/90/99/402669099.db2.gz SJEIEARLMDQFOX-UHFFFAOYSA-N 0 0 324.222 2.099 10 30 DEEERN COc1ccc(C=Nn2cnnc2)cc1COc1cccnc1 ZINC000254395366 402670923 /nfs/dbraw/zinc/67/09/23/402670923.db2.gz IMVUDUALBISTFS-UHFFFAOYSA-N 0 0 309.329 2.143 10 30 DEEERN CC(C)c1cc(C(=O)N2CCOC[C@@H]2C#N)nn1C(C)(C)C ZINC000173132511 402686411 /nfs/dbraw/zinc/68/64/11/402686411.db2.gz GEZWBFAQWSJBNG-LBPRGKRZSA-N 0 0 304.394 2.126 10 30 DEEERN CCn1cc([C@H]2CN(C(=O)c3ccc(C#N)cc3C)CCO2)cn1 ZINC000191710719 402687475 /nfs/dbraw/zinc/68/74/75/402687475.db2.gz FDVMUMNNLVBQKQ-QGZVFWFLSA-N 0 0 324.384 2.297 10 30 DEEERN CC(C)OC(=O)[C@@H](C)CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000174104191 402726621 /nfs/dbraw/zinc/72/66/21/402726621.db2.gz LHLCMCQSYYWJNV-QWHCGFSZSA-N 0 0 318.373 2.029 10 30 DEEERN C=CCC(CC=C)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000183065508 402736134 /nfs/dbraw/zinc/73/61/34/402736134.db2.gz WXKPTXSQDHQTTJ-INIZCTEOSA-N 0 0 313.401 2.462 10 30 DEEERN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1c(F)cc(C#N)cc1F ZINC000192630478 402741851 /nfs/dbraw/zinc/74/18/51/402741851.db2.gz DDZFEHPTISKHIK-CYBMUJFWSA-N 0 0 321.283 2.027 10 30 DEEERN N#C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000183223882 402748642 /nfs/dbraw/zinc/74/86/42/402748642.db2.gz JNYBPFNHROPAAK-SNVBAGLBSA-N 0 0 311.244 2.228 10 30 DEEERN CC1(CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CCC1 ZINC000175128445 402781774 /nfs/dbraw/zinc/78/17/74/402781774.db2.gz NXSRGBCXAMNHGW-UHFFFAOYSA-N 0 0 305.765 2.457 10 30 DEEERN N#Cc1cc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000193309329 402770491 /nfs/dbraw/zinc/77/04/91/402770491.db2.gz QZYGXZLPUGXQQE-UHFFFAOYSA-N 0 0 308.297 2.454 10 30 DEEERN COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1ccnc(C#N)c1 ZINC000193723649 402776033 /nfs/dbraw/zinc/77/60/33/402776033.db2.gz MPBMYOYMPOBNRX-ZDUSSCGKSA-N 0 0 323.352 2.157 10 30 DEEERN Cc1noc(C)c1CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000175907178 402841951 /nfs/dbraw/zinc/84/19/51/402841951.db2.gz NXDXNCRWWVCIPF-UHFFFAOYSA-N 0 0 314.345 2.041 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000183858786 402802527 /nfs/dbraw/zinc/80/25/27/402802527.db2.gz GERNIJJNSOUNTJ-SMDDNHRTSA-N 0 0 308.353 2.276 10 30 DEEERN N#Cc1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)ccn1 ZINC000195063046 402829489 /nfs/dbraw/zinc/82/94/89/402829489.db2.gz AHVXXGMCORKLPI-UHFFFAOYSA-N 0 0 306.325 2.332 10 30 DEEERN C=C[C@](C)(O)CC(=O)Nc1nc(-c2cccc(OC)c2)ns1 ZINC000278824571 402875360 /nfs/dbraw/zinc/87/53/60/402875360.db2.gz JFQIJRWAPFSEEZ-HNNXBMFYSA-N 0 0 319.386 2.479 10 30 DEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cccc2c1OCCCO2 ZINC000278843477 402877240 /nfs/dbraw/zinc/87/72/40/402877240.db2.gz WJKMMPULWRUSHY-GDBMZVCRSA-N 0 0 317.385 2.445 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000281564572 403071740 /nfs/dbraw/zinc/07/17/40/403071740.db2.gz UCSSJEHRZUGXTC-NVXWUHKLSA-N 0 0 316.401 2.380 10 30 DEEERN C=CC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000281593909 403072831 /nfs/dbraw/zinc/07/28/31/403072831.db2.gz JPIPFEDUZCFACS-VIFPVBQESA-N 0 0 310.202 2.209 10 30 DEEERN Cn1cc([C@@]2(C)CN(c3snc(Cl)c3C#N)CCO2)cn1 ZINC000268353116 403076293 /nfs/dbraw/zinc/07/62/93/403076293.db2.gz AHLQTRVQXBKQMZ-CYBMUJFWSA-N 0 0 323.809 2.154 10 30 DEEERN C#CCCNC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282092500 403121482 /nfs/dbraw/zinc/12/14/82/403121482.db2.gz INZYPSCGLJIQLN-AWEZNQCLSA-N 0 0 300.406 2.132 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000282302864 403141926 /nfs/dbraw/zinc/14/19/26/403141926.db2.gz MIGJZYGEWYJLBO-OAHLLOKOSA-N 0 0 323.462 2.342 10 30 DEEERN N#Cc1ccc(OCC(=O)N2CCC=C(Br)C2)cc1 ZINC000282374558 403147942 /nfs/dbraw/zinc/14/79/42/403147942.db2.gz VVWIIRJMLWVZDQ-UHFFFAOYSA-N 0 0 321.174 2.448 10 30 DEEERN C=CCn1c(C)nnc1N1CCC(c2cnn(CC)c2)CC1 ZINC000282420863 403152225 /nfs/dbraw/zinc/15/22/25/403152225.db2.gz YAHCLGXKWRGBKE-UHFFFAOYSA-N 0 0 300.410 2.373 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC000283531788 403203910 /nfs/dbraw/zinc/20/39/10/403203910.db2.gz GTKCYEXGZRGZKW-GFCCVEGCSA-N 0 0 305.407 2.197 10 30 DEEERN C=C(C)Cn1c(C)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000283570830 403206877 /nfs/dbraw/zinc/20/68/77/403206877.db2.gz JMFXYJLKHNUMHK-AWEZNQCLSA-N 0 0 316.409 2.313 10 30 DEEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(OC(F)F)cc1F ZINC000283575475 403207252 /nfs/dbraw/zinc/20/72/52/403207252.db2.gz VZKOLHAPEUQATD-QMMMGPOBSA-N 0 0 304.268 2.486 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270849562 403230910 /nfs/dbraw/zinc/23/09/10/403230910.db2.gz XMHYWGVFRQLCFF-UHFFFAOYSA-N 0 0 314.345 2.199 10 30 DEEERN C=CCNC(=O)C[S@@](=O)Cc1csc(Br)c1 ZINC000285099006 403277930 /nfs/dbraw/zinc/27/79/30/403277930.db2.gz MCLMNLWIJHOVEY-INIZCTEOSA-N 0 0 322.249 2.062 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(OC)CC1 ZINC000285335478 403280901 /nfs/dbraw/zinc/28/09/01/403280901.db2.gz OFWVQSCMGJENKZ-INIZCTEOSA-N 0 0 300.402 2.441 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCC(=O)N(CC)CC ZINC000285678027 403354260 /nfs/dbraw/zinc/35/42/60/403354260.db2.gz GFFNQBYABCJGHK-KRWDZBQOSA-N 0 0 314.429 2.386 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](CC)C(C)(C)O ZINC000298088402 403318450 /nfs/dbraw/zinc/31/84/50/403318450.db2.gz VZKYMDFCGGCSGM-JKSUJKDBSA-N 0 0 302.418 2.470 10 30 DEEERN C=CCOc1ccc(CNS(=O)(=O)Cc2cc(C)on2)cc1 ZINC000285769656 403376017 /nfs/dbraw/zinc/37/60/17/403376017.db2.gz WROLZIBJEPKFAB-UHFFFAOYSA-N 0 0 322.386 2.167 10 30 DEEERN C=CCC(C)(C)CNC(=O)C(=O)Nc1ccc2nc(C)cn2c1 ZINC000342920883 403397088 /nfs/dbraw/zinc/39/70/88/403397088.db2.gz KXHRAAAUBJZGJT-UHFFFAOYSA-N 0 0 314.389 2.300 10 30 DEEERN C=C[C@@](C)(CCOC)c1nc(-c2ccc(CC(N)=O)cc2)no1 ZINC000346787485 403603449 /nfs/dbraw/zinc/60/34/49/403603449.db2.gz FEVJBBPOZMJIFJ-KRWDZBQOSA-N 0 0 315.373 2.245 10 30 DEEERN C=CCCO[C@H](C)C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000346908629 403607685 /nfs/dbraw/zinc/60/76/85/403607685.db2.gz DFUUOQLUQSLARH-IAGOWNOFSA-N 0 0 324.465 2.071 10 30 DEEERN C#CCC(CC#C)C(=O)NCC(=O)OCc1ccccc1Cl ZINC000287520789 403615080 /nfs/dbraw/zinc/61/50/80/403615080.db2.gz RILZMLCRYOMLPA-UHFFFAOYSA-N 0 0 317.772 2.162 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)c1ncccc1C(=O)NC ZINC000343638628 403673211 /nfs/dbraw/zinc/67/32/11/403673211.db2.gz ZLQQBFHOXSSFJI-UHFFFAOYSA-N 0 0 315.373 2.109 10 30 DEEERN C=CCO[C@@H]1CCN(c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000302179539 403709389 /nfs/dbraw/zinc/70/93/89/403709389.db2.gz RNLPCNTZYCTQAU-LLVKDONJSA-N 0 0 317.357 2.464 10 30 DEEERN C=C(CNC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1ccccc1 ZINC000288001335 403706368 /nfs/dbraw/zinc/70/63/68/403706368.db2.gz LIBNUSLUMAGLFN-CQSZACIVSA-N 0 0 314.307 2.409 10 30 DEEERN C=CCN(C1CC1)S(=O)(=O)c1cccnc1C(F)(F)F ZINC000287997138 403706756 /nfs/dbraw/zinc/70/67/56/403706756.db2.gz ZPKBSENNHKKVAH-UHFFFAOYSA-N 0 0 306.309 2.440 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000288083558 403721398 /nfs/dbraw/zinc/72/13/98/403721398.db2.gz HJBZXRSXUFWVGF-KZNAEPCWSA-N 0 0 314.429 2.471 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](O)C(C)(C)C1 ZINC000288238050 403743030 /nfs/dbraw/zinc/74/30/30/403743030.db2.gz SAZFPJMPQWNDMF-DLBZAZTESA-N 0 0 314.429 2.423 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](O)[C@H](C)CC ZINC000288312374 403745286 /nfs/dbraw/zinc/74/52/86/403745286.db2.gz WYUVMIDNIXPAOS-OIISXLGYSA-N 0 0 302.418 2.327 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NCCc1ccc(SC)cc1 ZINC000288664737 403761292 /nfs/dbraw/zinc/76/12/92/403761292.db2.gz CAMOAUDDSVIVGI-UHFFFAOYSA-N 0 0 320.458 2.492 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)NC[C@@H](C)c1nc(C)cs1 ZINC000288943765 403797450 /nfs/dbraw/zinc/79/74/50/403797450.db2.gz JGXXASJUEVDKBX-LLVKDONJSA-N 0 0 309.435 2.096 10 30 DEEERN C=CCNC(=O)CNC(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000361766098 403852228 /nfs/dbraw/zinc/85/22/28/403852228.db2.gz IMWNDFKWASIUFV-UHFFFAOYSA-N 0 0 314.345 2.074 10 30 DEEERN FC(F)(F)c1ccc(C#CCN2CCN3CCOC[C@H]3C2)cc1 ZINC000368832720 403873516 /nfs/dbraw/zinc/87/35/16/403873516.db2.gz GJTWOUNLTHROGV-MRXNPFEDSA-N 0 0 324.346 2.073 10 30 DEEERN C=CCOCCCC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000362016579 403917704 /nfs/dbraw/zinc/91/77/04/403917704.db2.gz ARQBKUQUKSYEPQ-CQSZACIVSA-N 0 0 305.374 2.316 10 30 DEEERN N#C[C@@H]1CN(C(=O)c2cnc3ccc(F)cc3c2)CCN1C1CC1 ZINC000362473889 403957281 /nfs/dbraw/zinc/95/72/81/403957281.db2.gz PHFGSZFVXWHVGE-MRXNPFEDSA-N 0 0 324.359 2.186 10 30 DEEERN C#CCC(CC#C)C(=O)N1Cc2cnn(-c3ccccc3)c2C1 ZINC000295557541 403990130 /nfs/dbraw/zinc/99/01/30/403990130.db2.gz JMKZDCMXFOUKMY-UHFFFAOYSA-N 0 0 303.365 2.377 10 30 DEEERN C=CCOc1ccccc1C(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000344231912 403994376 /nfs/dbraw/zinc/99/43/76/403994376.db2.gz OWSGVFRJVFVVCR-MRXNPFEDSA-N 0 0 315.369 2.072 10 30 DEEERN C=CCSc1ccccc1C(=O)N1CC(C(=O)NCC)C1 ZINC000362923159 404005187 /nfs/dbraw/zinc/00/51/87/404005187.db2.gz ICLSAABFOALLHL-UHFFFAOYSA-N 0 0 304.415 2.173 10 30 DEEERN C=CCOC[C@H]1NC(=O)N([C@@H](C)CCc2ccc(C)o2)C1=O ZINC000348612317 404083891 /nfs/dbraw/zinc/08/38/91/404083891.db2.gz PPOPAKWBUHRHKA-SMDDNHRTSA-N 0 0 306.362 2.032 10 30 DEEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)Cc3ccoc3)C2)n1 ZINC000328612998 404113920 /nfs/dbraw/zinc/11/39/20/404113920.db2.gz QONLRKUTIYYGSD-ZDUSSCGKSA-N 0 0 302.334 2.100 10 30 DEEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N[C@H]1CCCC12CCOCC2 ZINC000328677448 404129013 /nfs/dbraw/zinc/12/90/13/404129013.db2.gz SDHRLQXTCVDKTQ-QLFBSQMISA-N 0 0 308.422 2.407 10 30 DEEERN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCO[C@@H]2CCC[C@H]21 ZINC000328744401 404142754 /nfs/dbraw/zinc/14/27/54/404142754.db2.gz KNEHWUXBAWRCDQ-JARUQAPTSA-N 0 0 306.406 2.111 10 30 DEEERN COc1cnc(NC(=O)NCC(=O)NC2CCCCC2)nc1 ZINC000328803045 404153730 /nfs/dbraw/zinc/15/37/30/404153730.db2.gz BAUCNWCFCWOCFV-UHFFFAOYSA-N 0 0 307.354 2.100 10 30 DEEERN C=CCN(C(=O)[C@@H](C)OCC)c1nc(C(=O)OCC)cs1 ZINC000355106635 404221217 /nfs/dbraw/zinc/22/12/17/404221217.db2.gz ZTKYKYRDVUNNGT-SNVBAGLBSA-N 0 0 312.391 2.264 10 30 DEEERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@H]1CCCC12CCOCC2 ZINC000328843483 404159963 /nfs/dbraw/zinc/15/99/63/404159963.db2.gz UWOPMMXUIXBFCV-OLZOCXBDSA-N 0 0 309.410 2.300 10 30 DEEERN CN(C(=O)N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1CCNC1=O ZINC000328890504 404169073 /nfs/dbraw/zinc/16/90/73/404169073.db2.gz RRGDLRUQGPSEQA-OLZOCXBDSA-N 0 0 309.410 2.443 10 30 DEEERN C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)C[C@H](C2CC2)O1 ZINC000328894189 404170817 /nfs/dbraw/zinc/17/08/17/404170817.db2.gz UTUBYAWLQPZGLJ-DSPGLSBSSA-N 0 0 321.421 2.297 10 30 DEEERN CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCO[C@@H]2C)no1 ZINC000328941757 404179453 /nfs/dbraw/zinc/17/94/53/404179453.db2.gz LEEWDPMVJUGEND-UTUOFQBUSA-N 0 0 308.382 2.421 10 30 DEEERN [O-]C(=[NH+][C@H]1CCCC(F)(F)C1)N1CCC[C@H]1Cn1ccnn1 ZINC000328970046 404186103 /nfs/dbraw/zinc/18/61/03/404186103.db2.gz AZSWLYJTCXLZTL-RYUDHWBXSA-N 0 0 313.352 2.234 10 30 DEEERN Cn1nccc1[C@H]1[C@H](NC(=O)C2CC=CC2)CC(=O)N1C1CC1 ZINC000329035925 404208867 /nfs/dbraw/zinc/20/88/67/404208867.db2.gz REWMMORGRHSDRQ-CZUORRHYSA-N 0 0 314.389 2.147 10 30 DEEERN CC#CCCNC(=O)N(CC(=O)N1CCCCCC1)C(C)C ZINC000355171387 404259222 /nfs/dbraw/zinc/25/92/22/404259222.db2.gz ZBFAUDOWVOEZOR-UHFFFAOYSA-N 0 0 307.438 2.222 10 30 DEEERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCOCC1 ZINC000329198261 404262898 /nfs/dbraw/zinc/26/28/98/404262898.db2.gz ALMGXPLGRWYKNF-JHJVBQTASA-N 0 0 303.424 2.115 10 30 DEEERN CC(C)(C)c1nnsc1C(=O)NCCC1(O)CCOCC1 ZINC000329264370 404283295 /nfs/dbraw/zinc/28/32/95/404283295.db2.gz FMFWQKWYTLPHDS-UHFFFAOYSA-N 0 0 313.423 2.072 10 30 DEEERN [O-]C(=[NH+][C@@H]1C[C@H]1c1cccc(F)c1)N1CCc2cncnc2C1 ZINC000329276560 404288082 /nfs/dbraw/zinc/28/80/82/404288082.db2.gz KLUBJJNHWKTGTF-LSDHHAIUSA-N 0 0 312.348 2.444 10 30 DEEERN C=CCSc1ccccc1NC(=O)CN1C[C@H](O)C2(CC2)C1 ZINC000364318360 404346999 /nfs/dbraw/zinc/34/69/99/404346999.db2.gz QNGBIORFCAIVDI-HNNXBMFYSA-N 0 0 318.442 2.360 10 30 DEEERN C#CCOc1ccccc1NC(=O)N1CCn2cc(C)nc2C1 ZINC000364339962 404356882 /nfs/dbraw/zinc/35/68/82/404356882.db2.gz FIOPAKKCIWKOMK-UHFFFAOYSA-N 0 0 310.357 2.251 10 30 DEEERN C[C@H](NC(=O)[C@@H]1COCCN1CC(F)(F)F)[C@@H]1CCCCO1 ZINC000329390250 404323483 /nfs/dbraw/zinc/32/34/83/404323483.db2.gz SEZRSDURACTDMS-SRVKXCTJSA-N 0 0 324.343 2.164 10 30 DEEERN C[C@H](NC(=O)N1CCO[C@H](C2CCCCC2)C1)c1nncn1C ZINC000329594309 404387391 /nfs/dbraw/zinc/38/73/91/404387391.db2.gz OQNPPWBDPJUXSI-JSGCOSHPSA-N 0 0 321.425 2.071 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000342153472 404406140 /nfs/dbraw/zinc/40/61/40/404406140.db2.gz BYYNUUABYVGFNT-GFCCVEGCSA-N 0 0 319.792 2.440 10 30 DEEERN C=CCOc1cccnc1C(=O)N[C@H](CO)c1ccsc1 ZINC000356227731 404406749 /nfs/dbraw/zinc/40/67/49/404406749.db2.gz JRLLRWSSGBKGIW-GFCCVEGCSA-N 0 0 304.371 2.171 10 30 DEEERN CCNC(=O)N1CC[C@H](NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)C1 ZINC000329652908 404409302 /nfs/dbraw/zinc/40/93/02/404409302.db2.gz LBHRISFPJYJLOA-KBPBESRZSA-N 0 0 320.437 2.173 10 30 DEEERN N#CCOc1ccc(/C=C/C(=O)N2CCO[C@@H](C3CC3)C2)cc1 ZINC000364489368 404417922 /nfs/dbraw/zinc/41/79/22/404417922.db2.gz XIGLRLMVICVTNG-DLGAGEGBSA-N 0 0 312.369 2.240 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)Nc2cccc(C3CC3)n2)C1=O ZINC000297038294 404421889 /nfs/dbraw/zinc/42/18/89/404421889.db2.gz ROITZPHDSBQORC-CQSZACIVSA-N 0 0 314.389 2.210 10 30 DEEERN CCC(=O)N1CSC[C@@H]1C(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000329683938 404422146 /nfs/dbraw/zinc/42/21/46/404422146.db2.gz ZJQIBCIRFXPSPC-JHJVBQTASA-N 0 0 314.451 2.460 10 30 DEEERN C#Cc1ccc(CNC(=O)Nc2ccn(CCCOC)n2)cc1 ZINC000297044039 404425514 /nfs/dbraw/zinc/42/55/14/404425514.db2.gz XGAKQDOZGNSUET-UHFFFAOYSA-N 0 0 312.373 2.223 10 30 DEEERN CO[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCCn3cc(C)nc32)C1 ZINC000329924364 404497423 /nfs/dbraw/zinc/49/74/23/404497423.db2.gz UYJLGBHZNLTEQI-HZSPNIEDSA-N 0 0 306.410 2.140 10 30 DEEERN CN1CCN(C(=O)N[C@@H]2CCCc3sccc32)C[C@@H]1C#N ZINC000329961553 404509146 /nfs/dbraw/zinc/50/91/46/404509146.db2.gz OQCIVUHMXXSODH-WCQYABFASA-N 0 0 304.419 2.179 10 30 DEEERN C=CCn1c(CCC(C)C)nnc1N1CCCN(C(C)=O)CC1 ZINC000351121211 404518362 /nfs/dbraw/zinc/51/83/62/404518362.db2.gz YTOCACLKXITTLB-UHFFFAOYSA-N 0 0 319.453 2.111 10 30 DEEERN CC1(C)C(=O)NC(=O)N1CC(=O)NCC(=O)NC1CCCCC1 ZINC000329749424 404440960 /nfs/dbraw/zinc/44/09/60/404440960.db2.gz UGEVGTXPQJRNLY-UHFFFAOYSA-N 0 0 324.381 2.403 10 30 DEEERN C=CCOc1ccccc1CN1CCO[C@@H](C(=O)C2CC2)C1 ZINC000356338659 404458310 /nfs/dbraw/zinc/45/83/10/404458310.db2.gz NADKTZCVEDFOBN-QGZVFWFLSA-N 0 0 301.386 2.431 10 30 DEEERN C=CCn1c(-c2ncccc2C)nnc1N(C)CCCCCO ZINC000350740753 404458885 /nfs/dbraw/zinc/45/88/85/404458885.db2.gz GXMGVROCOGXUID-UHFFFAOYSA-N 0 0 315.421 2.433 10 30 DEEERN CCOc1ccccc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000365253886 404587066 /nfs/dbraw/zinc/58/70/66/404587066.db2.gz RSZIMWKOVCBSAK-AWEZNQCLSA-N 0 0 314.389 2.289 10 30 DEEERN C[C@@H]1CN(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)C[C@H](c2ccc(F)cc2)O1 ZINC000330024641 404531559 /nfs/dbraw/zinc/53/15/59/404531559.db2.gz JWFQRHKHVKSPCU-IRHMCKRBSA-N 0 0 320.364 2.146 10 30 DEEERN C=CCOc1ccc(Br)cc1N[C@H]1CCNC1=O ZINC000414198935 404545074 /nfs/dbraw/zinc/54/50/74/404545074.db2.gz YLZQKEHDMWIIMJ-JTQLQIEISA-N 0 0 311.179 2.314 10 30 DEEERN CC(=O)N(C)c1cccc(N[C@@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000345111083 404554790 /nfs/dbraw/zinc/55/47/90/404554790.db2.gz KXHYCJKDXTVZMP-LBPRGKRZSA-N 0 0 314.389 2.032 10 30 DEEERN C=CCn1cc(-c2nc(-c3ccc(N4CCCC4)nc3)no2)nn1 ZINC000351336253 404555174 /nfs/dbraw/zinc/55/51/74/404555174.db2.gz BBPMPWNVVCJXSB-UHFFFAOYSA-N 0 0 323.360 2.176 10 30 DEEERN C[C@H](Cn1cncn1)NC(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000330162353 404570917 /nfs/dbraw/zinc/57/09/17/404570917.db2.gz AFWCUCRSQDBBRT-UKRRQHHQSA-N 0 0 321.425 2.004 10 30 DEEERN CC(=O)c1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)o1 ZINC000365219089 404572985 /nfs/dbraw/zinc/57/29/85/404572985.db2.gz JHVKYBPBUJCTOQ-UHFFFAOYSA-N 0 0 321.296 2.187 10 30 DEEERN C=CCC(C)(C)c1nc(-c2ccnc(S(C)(=O)=O)c2)no1 ZINC000291910716 404576424 /nfs/dbraw/zinc/57/64/24/404576424.db2.gz MRZIEPKIRPZJSU-UHFFFAOYSA-N 0 0 307.375 2.389 10 30 DEEERN C=CCCCNC(=O)C(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000342487535 404611217 /nfs/dbraw/zinc/61/12/17/404611217.db2.gz XZHCUKDMROJHDM-UHFFFAOYSA-N 0 0 318.417 2.353 10 30 DEEERN C=C(C)CN(C)C(=O)c1cnn(-c2ccc(OCC)nn2)c1C ZINC000351530460 404628896 /nfs/dbraw/zinc/62/88/96/404628896.db2.gz SSWSPWBNRRITOT-UHFFFAOYSA-N 0 0 315.377 2.018 10 30 DEEERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC000330338392 404630457 /nfs/dbraw/zinc/63/04/57/404630457.db2.gz VISQZJQBDYLMLO-XJKCOSOUSA-N 0 0 321.421 2.290 10 30 DEEERN C=CCOCC(=O)N(CC=C)c1nc(C(=O)OCC)cs1 ZINC000356647694 404637219 /nfs/dbraw/zinc/63/72/19/404637219.db2.gz FJZPLDSYDOVINU-UHFFFAOYSA-N 0 0 310.375 2.041 10 30 DEEERN C=C(CNC(=O)C(=O)Nc1c(C)onc1CC)c1ccccc1 ZINC000357655397 404740047 /nfs/dbraw/zinc/74/00/47/404740047.db2.gz ORLJYVZNOVHBQG-UHFFFAOYSA-N 0 0 313.357 2.314 10 30 DEEERN C=C(C)[C@@H](CC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)OCC ZINC000358222985 404756405 /nfs/dbraw/zinc/75/64/05/404756405.db2.gz LBSGOCWCJWZMHQ-PBHICJAKSA-N 0 0 311.422 2.154 10 30 DEEERN C=CCN(CCOC)C(=O)N[C@@H](C)Cc1cccc(OC)c1 ZINC000358425642 404761479 /nfs/dbraw/zinc/76/14/79/404761479.db2.gz IMQOTIMBGZIYPE-AWEZNQCLSA-N 0 0 306.406 2.470 10 30 DEEERN C=C[C@@](C)(CCOC)C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000353015175 404721158 /nfs/dbraw/zinc/72/11/58/404721158.db2.gz LRSYYKXPURPCQN-KRWDZBQOSA-N 0 0 310.438 2.073 10 30 DEEERN CC1(C#N)CCN(C(=O)COCCOc2ccccc2)CC1 ZINC000356967131 404722877 /nfs/dbraw/zinc/72/28/77/404722877.db2.gz FITJPSMOVFINOS-UHFFFAOYSA-N 0 0 302.374 2.234 10 30 DEEERN CC1(C#N)CCN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)CC1 ZINC000356966458 404722896 /nfs/dbraw/zinc/72/28/96/404722896.db2.gz DFECNJMSLGEFDI-LBPRGKRZSA-N 0 0 317.355 2.413 10 30 DEEERN C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000359257099 404787885 /nfs/dbraw/zinc/78/78/85/404787885.db2.gz UZKFTUUFWMQMLM-HZSPNIEDSA-N 0 0 319.453 2.458 10 30 DEEERN Cc1cc(C)cc(CCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 ZINC000366475297 404798243 /nfs/dbraw/zinc/79/82/43/404798243.db2.gz SJIQLKUADPBAGU-SFHVURJKSA-N 0 0 311.429 2.435 10 30 DEEERN C=C(C)CS(=O)(=O)N1CCCN(c2ccc(C)cc2)CC1 ZINC000366663801 404827002 /nfs/dbraw/zinc/82/70/02/404827002.db2.gz NPGZRZKUXBAOBY-UHFFFAOYSA-N 0 0 308.447 2.413 10 30 DEEERN C#C[C@H](C)NC(=O)N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000376923523 404830400 /nfs/dbraw/zinc/83/04/00/404830400.db2.gz RZIYKHWORYIUSU-QWHCGFSZSA-N 0 0 309.410 2.097 10 30 DEEERN C#CCC(C)(C)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000366952168 404879173 /nfs/dbraw/zinc/87/91/73/404879173.db2.gz LQRNXRUPFKDGIK-GDBMZVCRSA-N 0 0 312.413 2.342 10 30 DEEERN C#CCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000367013698 404897617 /nfs/dbraw/zinc/89/76/17/404897617.db2.gz QAAPWAHVBDMCQN-GJZGRUSLSA-N 0 0 305.809 2.408 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CCCC[C@H]1c1ccnn1C ZINC000366865387 404860417 /nfs/dbraw/zinc/86/04/17/404860417.db2.gz CGIRMDQGYAEJRP-INIZCTEOSA-N 0 0 304.438 2.372 10 30 DEEERN C=CCN(CCc1ccco1)C(=O)CNC(=O)c1ccsc1 ZINC000353675930 404915546 /nfs/dbraw/zinc/91/55/46/404915546.db2.gz GGTZSGTYDIYZOF-UHFFFAOYSA-N 0 0 318.398 2.328 10 30 DEEERN C=CCN(CC=C)C(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000434760284 404932806 /nfs/dbraw/zinc/93/28/06/404932806.db2.gz WNXLATOIHSCLQP-LLVKDONJSA-N 0 0 319.430 2.407 10 30 DEEERN CCOS(=O)(=O)/C=C\[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000384345916 405033041 /nfs/dbraw/zinc/03/30/41/405033041.db2.gz ZAUDTJMQKKDGEU-IEHMKBBKSA-N 0 0 305.396 2.266 10 30 DEEERN COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1cc(C#N)ccn1 ZINC000435997033 405034526 /nfs/dbraw/zinc/03/45/26/405034526.db2.gz BKVPDKWGEYHHGU-GFCCVEGCSA-N 0 0 309.325 2.467 10 30 DEEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cc(C#N)ccn1 ZINC000436002149 405034749 /nfs/dbraw/zinc/03/47/49/405034749.db2.gz DHYNYEFVMWUELC-MRXNPFEDSA-N 0 0 314.345 2.153 10 30 DEEERN N#Cc1cc(F)ccc1CN1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408045132 405097437 /nfs/dbraw/zinc/09/74/37/405097437.db2.gz QBWANMHREFMMTM-RCCFBDPRSA-N 0 0 318.392 2.449 10 30 DEEERN C[C@H]1C[C@H](CC(=O)N2CCN(C(=O)CC#N)CC2)CC(C)(C)C1 ZINC000408059780 405101252 /nfs/dbraw/zinc/10/12/52/405101252.db2.gz BZLXYSVBNGDUIU-LSDHHAIUSA-N 0 0 319.449 2.423 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1nscc1Br ZINC000404954439 405069984 /nfs/dbraw/zinc/06/99/84/405069984.db2.gz RARJDOJILIPNFQ-SVRRBLITSA-N 0 0 300.181 2.328 10 30 DEEERN C=CCC1(NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CCCCC1 ZINC000451940343 405101797 /nfs/dbraw/zinc/10/17/97/405101797.db2.gz LFRKWUBDGXGCCU-ZIAGYGMSSA-N 0 0 316.467 2.209 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)CN(Cc2ccc(F)cc2)C1=O ZINC000424613393 405129344 /nfs/dbraw/zinc/12/93/44/405129344.db2.gz BECSBSCGSHJXIK-ZFWWWQNUSA-N 0 0 318.348 2.181 10 30 DEEERN C=CCC1(C(=O)NCc2ccc(C(=O)NC)cc2)CCOCC1 ZINC000424562008 405116986 /nfs/dbraw/zinc/11/69/86/405116986.db2.gz CVLCWDWWPADHRX-UHFFFAOYSA-N 0 0 316.401 2.035 10 30 DEEERN Cc1onc(CC(=O)N2CCO[C@H](C3CCCCC3)C2)c1C#N ZINC000408208134 405138662 /nfs/dbraw/zinc/13/86/62/405138662.db2.gz VSFJMPXALDWFER-INIZCTEOSA-N 0 0 317.389 2.205 10 30 DEEERN C=C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000354273574 405134414 /nfs/dbraw/zinc/13/44/14/405134414.db2.gz SHNNDPIGISCRNG-SNVBAGLBSA-N 0 0 316.357 2.060 10 30 DEEERN C=C[C@@H]1CCCCN1S(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000416477388 405150426 /nfs/dbraw/zinc/15/04/26/405150426.db2.gz SNADLHABLCESPF-SNVBAGLBSA-N 0 0 319.377 2.395 10 30 DEEERN C=CCCn1cc(C(=O)N[C@H](C)c2c(F)cccc2OC)nn1 ZINC000424703835 405154652 /nfs/dbraw/zinc/15/46/52/405154652.db2.gz ZXUYSCCQKYRRIG-LLVKDONJSA-N 0 0 318.352 2.493 10 30 DEEERN C=CCC1(C(=O)N[C@H](CO)Cc2ccc(F)cc2)CCOCC1 ZINC000424799579 405182084 /nfs/dbraw/zinc/18/20/84/405182084.db2.gz HRSNWRURQVSYEU-INIZCTEOSA-N 0 0 321.392 2.218 10 30 DEEERN C=CCC1(C(=O)N[C@@H](CO)Cc2ccc(F)cc2)CCOCC1 ZINC000424799764 405182114 /nfs/dbraw/zinc/18/21/14/405182114.db2.gz HRSNWRURQVSYEU-MRXNPFEDSA-N 0 0 321.392 2.218 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N[C@H]1CCN(c2ccccc2F)C1 ZINC000452124386 405182732 /nfs/dbraw/zinc/18/27/32/405182732.db2.gz OBBWFJSEQWVTSY-LBPRGKRZSA-N 0 0 312.348 2.045 10 30 DEEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCc1nc(C(C)(C)C)no1 ZINC000437464700 405200938 /nfs/dbraw/zinc/20/09/38/405200938.db2.gz CSGAWJOJFKEOJM-IUODEOHRSA-N 0 0 321.421 2.397 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1c[nH]cc1-c1cnn(C)c1 ZINC000437490368 405202026 /nfs/dbraw/zinc/20/20/26/405202026.db2.gz MHCGSIIXYLPAAF-WBMJQRKESA-N 0 0 314.389 2.126 10 30 DEEERN N#Cc1ncccc1N[C@H]1CCCN(c2ccccc2C(N)=O)C1 ZINC000367966834 405205376 /nfs/dbraw/zinc/20/53/76/405205376.db2.gz RMOPVIGGNYTLNJ-ZDUSSCGKSA-N 0 0 321.384 2.133 10 30 DEEERN C=CCn1cc(CNC(=O)C[C@@H]2CCOc3ccccc32)nn1 ZINC000424909015 405211187 /nfs/dbraw/zinc/21/11/87/405211187.db2.gz RNKZMXLOQRFOHG-ZDUSSCGKSA-N 0 0 312.373 2.037 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CSc1ccc(OC)cc1 ZINC000424919680 405212250 /nfs/dbraw/zinc/21/22/50/405212250.db2.gz YABHHKFGGNBFTC-WFASDCNBSA-N 0 0 307.415 2.495 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C(C)=O)c(C)nc1C ZINC000424921596 405213063 /nfs/dbraw/zinc/21/30/63/405213063.db2.gz FTICXFYIFAAGTE-BBRMVZONSA-N 0 0 302.374 2.222 10 30 DEEERN C=C(C)CN(C)CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000367853960 405175204 /nfs/dbraw/zinc/17/52/04/405175204.db2.gz HGFHJYIHUUUXCD-UHFFFAOYSA-N 0 0 301.390 2.258 10 30 DEEERN C=CCNC(=O)c1ccccc1NCc1cn(CC2CC2)nn1 ZINC000453086537 405282821 /nfs/dbraw/zinc/28/28/21/405282821.db2.gz HWKJKLXEGSPNRK-UHFFFAOYSA-N 0 0 311.389 2.216 10 30 DEEERN CC[C@](C)(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)OC ZINC000452743464 405237293 /nfs/dbraw/zinc/23/72/93/405237293.db2.gz UIXHYTCIMURXHN-JKSUJKDBSA-N 0 0 312.410 2.179 10 30 DEEERN CO[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C[C@@H]1C ZINC000452832816 405249398 /nfs/dbraw/zinc/24/93/98/405249398.db2.gz KRXAFSJSFGUAPP-OGHNNQOOSA-N 0 0 324.421 2.131 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc(Cl)c1 ZINC000425177862 405254495 /nfs/dbraw/zinc/25/44/95/405254495.db2.gz ISILBGZWCXYYLI-GWCFXTLKSA-N 0 0 301.795 2.209 10 30 DEEERN C=C(C)CN(CC)C(=O)[C@@H](C)SCc1ncc(C#N)cn1 ZINC000419620905 405260533 /nfs/dbraw/zinc/26/05/33/405260533.db2.gz BXGFJLPIPBVHSE-GFCCVEGCSA-N 0 0 304.419 2.395 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1c(C)cc(C)cc1C ZINC000425788679 405319685 /nfs/dbraw/zinc/31/96/85/405319685.db2.gz VDDGOOVHDGFNKG-GJZGRUSLSA-N 0 0 316.401 2.258 10 30 DEEERN CC#CCCNC(=O)C(=O)Nc1c(F)cc(Cl)c(C)c1F ZINC000440707125 405323291 /nfs/dbraw/zinc/32/32/91/405323291.db2.gz WONIQJSCZQHMSB-UHFFFAOYSA-N 0 0 314.719 2.395 10 30 DEEERN C=CC[C@@H]1N(C(=O)N[C@H]2CCC(=O)N(C)C2)CCCC1(C)C ZINC000445151707 405346951 /nfs/dbraw/zinc/34/69/51/405346951.db2.gz TUTOCRXZQVZTDV-KBPBESRZSA-N 0 0 307.438 2.384 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2cccs2)CC1 ZINC000425568650 405303949 /nfs/dbraw/zinc/30/39/49/405303949.db2.gz WRNXRSUAAWLGLH-KBPBESRZSA-N 0 0 321.446 2.171 10 30 DEEERN COc1ccc(C#N)cc1NC(=O)C(=O)N1CCCC12CCC2 ZINC000447427948 405413905 /nfs/dbraw/zinc/41/39/05/405413905.db2.gz UYOKVPWWBULKIL-UHFFFAOYSA-N 0 0 313.357 2.050 10 30 DEEERN C=CC(C)(C)C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000448658805 405432921 /nfs/dbraw/zinc/43/29/21/405432921.db2.gz WCKGVSCZPIPCDW-UHFFFAOYSA-N 0 0 307.438 2.385 10 30 DEEERN COCCOc1cc(C)ccc1NC(=O)c1ccc(C#N)n1C ZINC000448749373 405443809 /nfs/dbraw/zinc/44/38/09/405443809.db2.gz NEAQVQCDWFTYAY-UHFFFAOYSA-N 0 0 313.357 2.483 10 30 DEEERN COC(=O)c1ccc(CC(=O)N[C@@](C)(C#N)CC(C)C)cc1 ZINC000448848884 405455368 /nfs/dbraw/zinc/45/53/68/405455368.db2.gz QMFXDGCKXDEZRB-QGZVFWFLSA-N 0 0 302.374 2.460 10 30 DEEERN CC(C)c1nc(CCNC(=O)c2ccc(C#N)n2C)cs1 ZINC000448871665 405457722 /nfs/dbraw/zinc/45/77/22/405457722.db2.gz TZVWAZZGJIYJPW-UHFFFAOYSA-N 0 0 302.403 2.449 10 30 DEEERN CC(C)(CC#N)CNC(=O)NCc1ccnc(OC(F)F)c1 ZINC000458745453 405568185 /nfs/dbraw/zinc/56/81/85/405568185.db2.gz APMSBHZACYJZHU-UHFFFAOYSA-N 0 0 312.320 2.422 10 30 DEEERN C=CCOc1ccc(CNC(=O)NCc2nnc(CC)o2)cc1 ZINC000458782624 405589382 /nfs/dbraw/zinc/58/93/82/405589382.db2.gz UUXZVKSZGWWPRM-UHFFFAOYSA-N 0 0 316.361 2.196 10 30 DEEERN C=CCCC(C)(C)CNC(=O)NCC1(S(=O)(=O)CC)CC1 ZINC000633356817 405592992 /nfs/dbraw/zinc/59/29/92/405592992.db2.gz FWCRGOKUSHHNAS-UHFFFAOYSA-N 0 0 316.467 2.245 10 30 DEEERN Cn1c(C#N)ccc1C(=O)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000450072398 405729498 /nfs/dbraw/zinc/72/94/98/405729498.db2.gz GEZXWLRFZAXKTK-UHFFFAOYSA-N 0 0 315.323 2.490 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000529026662 405746705 /nfs/dbraw/zinc/74/67/05/405746705.db2.gz WPJQENMQIRGMGC-CVEARBPZSA-N 0 0 322.836 2.358 10 30 DEEERN C=CCC(C)(C)CNC(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000432559196 405782296 /nfs/dbraw/zinc/78/22/96/405782296.db2.gz CIWABISVJMUGIG-CHWSQXEVSA-N 0 0 300.443 2.046 10 30 DEEERN C=CCOc1cccnc1C(=O)N1CCC=C(c2cnn(C)c2)C1 ZINC000636164901 405786233 /nfs/dbraw/zinc/78/62/33/405786233.db2.gz CMKQKFFEUKIIMO-UHFFFAOYSA-N 0 0 324.384 2.309 10 30 DEEERN C=C1CC(C)(C(=O)Nc2ccc([C@@H]3CC(=O)NC(=O)N3)cc2)C1 ZINC000633648785 405766454 /nfs/dbraw/zinc/76/64/54/405766454.db2.gz LZLKKUDQTNCDEL-ZDUSSCGKSA-N 0 0 313.357 2.252 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cn1ccnc1C ZINC000457511377 405875680 /nfs/dbraw/zinc/87/56/80/405875680.db2.gz ZGNKRRDJMKFZGU-UHFFFAOYSA-N 0 0 314.345 2.315 10 30 DEEERN N#Cc1cccc(CC(=O)N(CCC(N)=O)Cc2ccccc2)c1 ZINC000530911463 405879484 /nfs/dbraw/zinc/87/94/84/405879484.db2.gz XQSRCJKDADUXBE-UHFFFAOYSA-N 0 0 321.380 2.005 10 30 DEEERN C=C[C@](C)(O)C(=O)NCc1c(Cl)cccc1OC(F)F ZINC000636337391 405899403 /nfs/dbraw/zinc/89/94/03/405899403.db2.gz GSMRRNVOJTUDPU-ZDUSSCGKSA-N 0 0 305.708 2.495 10 30 DEEERN C=CCC1(C(=O)N2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)CCCCC1 ZINC000633882574 405889332 /nfs/dbraw/zinc/88/93/32/405889332.db2.gz IUQFVWXVYWTLNN-CALCHBBNSA-N 0 0 318.417 2.024 10 30 DEEERN C=CCN(CC=C)C(=O)CN[C@@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000599561186 405894978 /nfs/dbraw/zinc/89/49/78/405894978.db2.gz NBQQGDORBJVEFZ-SFHVURJKSA-N 0 0 322.449 2.289 10 30 DEEERN C=CCCC(C)(C)CNC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000633963199 405931636 /nfs/dbraw/zinc/93/16/36/405931636.db2.gz FZDFAQCRLWVUFX-UHFFFAOYSA-N 0 0 313.405 2.313 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000633963275 405931838 /nfs/dbraw/zinc/93/18/38/405931838.db2.gz IFQXODZIQSBPOO-UHFFFAOYSA-N 0 0 324.446 2.317 10 30 DEEERN C=CCCC(C)(C)CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000633965620 405933615 /nfs/dbraw/zinc/93/36/15/405933615.db2.gz XKBDEKQIHINBJO-UHFFFAOYSA-N 0 0 300.362 2.453 10 30 DEEERN C=CCCC(C)(C)CNC(=O)[C@H]1COCCN1CC(F)(F)F ZINC000633966646 405935503 /nfs/dbraw/zinc/93/55/03/405935503.db2.gz SOCOIORFKPNKMW-GFCCVEGCSA-N 0 0 322.371 2.358 10 30 DEEERN CN(C)C(=O)Cc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000531384462 405951012 /nfs/dbraw/zinc/95/10/12/405951012.db2.gz MZCHJZBZTLLTBZ-UHFFFAOYSA-N 0 0 321.380 2.370 10 30 DEEERN Cc1cc(NC[C@H]2CCC3(CCOCC3)[C@H]2O)cc(C#N)n1 ZINC000561351360 405921694 /nfs/dbraw/zinc/92/16/94/405921694.db2.gz KRIMJVOMVPRRSA-CJNGLKHVSA-N 0 0 301.390 2.241 10 30 DEEERN C=CCn1c(N2C[C@H](C)OC(C)(C)C2)nnc1[C@@]1(C)CCCO1 ZINC000562568807 406036985 /nfs/dbraw/zinc/03/69/85/406036985.db2.gz CLOJCBBPVHFFRI-SUMWQHHRSA-N 0 0 320.437 2.493 10 30 DEEERN C=C(C)COc1cc(CN2CC(C(=O)NCC)C2)ccc1OC ZINC000459603192 405979715 /nfs/dbraw/zinc/97/97/15/405979715.db2.gz HKLKANNXEXJYQP-UHFFFAOYSA-N 0 0 318.417 2.218 10 30 DEEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)C1 ZINC000636784964 406081841 /nfs/dbraw/zinc/08/18/41/406081841.db2.gz BNCKLZUXJGGSNP-RBSFLKMASA-N 0 0 307.438 2.241 10 30 DEEERN C=CC[C@@H](CO)CNC(=O)c1ccc(C2CCOCC2)cc1 ZINC000632297229 406082530 /nfs/dbraw/zinc/08/25/30/406082530.db2.gz YBVPISQLHASTRP-CQSZACIVSA-N 0 0 303.402 2.495 10 30 DEEERN C=CCC[C@@H](NC(=O)c1nc(C)ncc1Cl)C(=O)OCC ZINC000566605067 406089560 /nfs/dbraw/zinc/08/95/60/406089560.db2.gz SBJUEEYVVPVVFN-LLVKDONJSA-N 0 0 311.769 2.066 10 30 DEEERN N#Cc1ccc(NC(=O)C(=O)NCCCC2CC2)c(Cl)c1 ZINC000532638025 406090440 /nfs/dbraw/zinc/09/04/40/406090440.db2.gz JBNGJJYNJNPWQA-UHFFFAOYSA-N 0 0 305.765 2.457 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000566674764 406090715 /nfs/dbraw/zinc/09/07/15/406090715.db2.gz KXJOGBCAYMAMMY-JONQDZQNSA-N 0 0 308.422 2.036 10 30 DEEERN C=C1CC(C)(C(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)C1 ZINC000632204313 406048395 /nfs/dbraw/zinc/04/83/95/406048395.db2.gz KNXNXJOLHAVKAI-ZDUSSCGKSA-N 0 0 311.385 2.258 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1oc(COC(C)(C)C)nc1C ZINC000565053260 406070262 /nfs/dbraw/zinc/07/02/62/406070262.db2.gz ZHMBMJIZUAYOKZ-NEPJUHHUSA-N 0 0 308.378 2.371 10 30 DEEERN C=C(C)CN(C)C(=O)C(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000460017785 406074051 /nfs/dbraw/zinc/07/40/51/406074051.db2.gz USJUDDGYWYFQSC-MRXNPFEDSA-N 0 0 318.392 2.394 10 30 DEEERN C=CCn1c([C@H]2COCCO2)nnc1N1CC2(CCC2)C[C@@H]1C ZINC000515713007 406077228 /nfs/dbraw/zinc/07/72/28/406077228.db2.gz ZZPXYQGIXOTCTM-UONOGXRCSA-N 0 0 318.421 2.321 10 30 DEEERN COc1ccccc1CN(CCO)C(=O)Cc1cccc(C#N)c1 ZINC000533976410 406167143 /nfs/dbraw/zinc/16/71/43/406167143.db2.gz NNMSYLVVDRVVLZ-UHFFFAOYSA-N 0 0 324.380 2.130 10 30 DEEERN C=C(C)Cn1c(COCCOC)nnc1N1CC[C@@H](C(C)C)C1 ZINC000634383493 406120879 /nfs/dbraw/zinc/12/08/79/406120879.db2.gz BJOUCCBQVHRNED-OAHLLOKOSA-N 0 0 322.453 2.500 10 30 DEEERN C=CCC1(NS(=O)(=O)c2c[nH]c(=O)s2)CCCCC1 ZINC000632417120 406129176 /nfs/dbraw/zinc/12/91/76/406129176.db2.gz NWQDUINCXPVLRY-UHFFFAOYSA-N 0 0 302.421 2.406 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)[C@@](C)(OC)C1CC1 ZINC000636962272 406134766 /nfs/dbraw/zinc/13/47/66/406134766.db2.gz DSZGOBKDQPQWQC-SCLBCKFNSA-N 0 0 324.465 2.415 10 30 DEEERN C=CC[C@H](C(=O)NC1CN(c2ccncn2)C1)c1ccccc1 ZINC000634453491 406136368 /nfs/dbraw/zinc/13/63/68/406136368.db2.gz IJYHVMKETSLEOA-INIZCTEOSA-N 0 0 308.385 2.141 10 30 DEEERN C=CCCOCCNC(=O)N[C@@H]1COc2cccc(C)c2C1 ZINC000636982935 406141134 /nfs/dbraw/zinc/14/11/34/406141134.db2.gz BWJAMRBNADAOMY-AWEZNQCLSA-N 0 0 304.390 2.190 10 30 DEEERN C=CCCCCCNC(=O)C(=O)NCc1cccc(F)c1F ZINC000637000684 406145674 /nfs/dbraw/zinc/14/56/74/406145674.db2.gz YHPDQYIWUXVUEJ-UHFFFAOYSA-N 0 0 310.344 2.444 10 30 DEEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](CC)[C@@H]1CCCCO1 ZINC000637007811 406148150 /nfs/dbraw/zinc/14/81/50/406148150.db2.gz SWSPMYFQLJJKRD-KGLIPLIRSA-N 0 0 310.438 2.169 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)NCc1nnc(C2CCOCC2)[nH]1 ZINC000637022374 406152465 /nfs/dbraw/zinc/15/24/65/406152465.db2.gz FMKXPSHVHNQNFD-GFCCVEGCSA-N 0 0 321.425 2.243 10 30 DEEERN C=CCC[C@H]1NC(=O)N(C[C@H]2CSc3ccccc3O2)C1=O ZINC000567884691 406153247 /nfs/dbraw/zinc/15/32/47/406153247.db2.gz HHZVMXCXCZIUNV-NWDGAFQWSA-N 0 0 318.398 2.426 10 30 DEEERN C=CCCCCCN(C)C(=O)C(=O)N[C@H]1CCCn2nccc21 ZINC000632541829 406176940 /nfs/dbraw/zinc/17/69/40/406176940.db2.gz FEZZHVBGASPTFP-AWEZNQCLSA-N 0 0 318.421 2.039 10 30 DEEERN C=CC[C@H]1CCN(C(=O)N[C@H](CC(=O)NC)c2ccccc2)C1 ZINC000637115986 406181715 /nfs/dbraw/zinc/18/17/15/406181715.db2.gz WEWLIKBQJZPLGM-GOEBONIOSA-N 0 0 315.417 2.471 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(C(=O)NC)c1C ZINC000519390721 406194456 /nfs/dbraw/zinc/19/44/56/406194456.db2.gz ODDZGUBRVHMIAL-WFASDCNBSA-N 0 0 317.389 2.067 10 30 DEEERN C=CCCC(C)(C)CNS(=O)(=O)c1ccc2c(c1)nnn2C ZINC000632640901 406209542 /nfs/dbraw/zinc/20/95/42/406209542.db2.gz ITRXSBCESPIFAC-UHFFFAOYSA-N 0 0 322.434 2.239 10 30 DEEERN C=CCCCCCNC(=O)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000568197583 406211025 /nfs/dbraw/zinc/21/10/25/406211025.db2.gz CMSHRTVZBCUWJR-UHFFFAOYSA-N 0 0 300.362 2.364 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CCO ZINC000632663138 406218840 /nfs/dbraw/zinc/21/88/40/406218840.db2.gz VIHYIMKCFKCDCX-CABCVRRESA-N 0 0 324.465 2.105 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC000568624918 406219828 /nfs/dbraw/zinc/21/98/28/406219828.db2.gz XGGMVUJOQRNDHL-BYNSBNAKSA-N 0 0 308.422 2.177 10 30 DEEERN C=C1CCN(C(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)CC1 ZINC000535723452 406229755 /nfs/dbraw/zinc/22/97/55/406229755.db2.gz AYCYSYZIRGVVDF-UHFFFAOYSA-N 0 0 311.389 2.380 10 30 DEEERN C=CCN(CCOC)C(=O)c1cc2c(cc(OC)cc2OC)[nH]1 ZINC000632750447 406248371 /nfs/dbraw/zinc/24/83/71/406248371.db2.gz YKBBFJYZWXZQPF-UHFFFAOYSA-N 0 0 318.373 2.460 10 30 DEEERN Cn1cc([C@H](NC(=O)c2sccc2C#N)C(F)(F)F)cn1 ZINC000487747076 406260302 /nfs/dbraw/zinc/26/03/02/406260302.db2.gz FIKJUIZPKFNUAX-JTQLQIEISA-N 0 0 314.292 2.387 10 30 DEEERN CC#CC[C@H](CO)NC(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000637359251 406274293 /nfs/dbraw/zinc/27/42/93/406274293.db2.gz YPZBEZMKNLSCKQ-SLBVQIDZSA-N 0 0 318.804 2.052 10 30 DEEERN C=CCn1c(CC(F)(F)F)nnc1N(C)C[C@@H]1CCCO1 ZINC000569692988 406290502 /nfs/dbraw/zinc/29/05/02/406290502.db2.gz NAVFBMHRMGJGFN-JTQLQIEISA-N 0 0 304.316 2.184 10 30 DEEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1C[C@H](C)O[C@@H]1C ZINC000633027121 406356107 /nfs/dbraw/zinc/35/61/07/406356107.db2.gz KIYJLAFHNSDEOY-WOSRLPQWSA-N 0 0 307.390 2.490 10 30 DEEERN C=CCn1c([C@@H]2CCCS2)nnc1N(C)Cc1cnn(C)c1 ZINC000521609967 406357565 /nfs/dbraw/zinc/35/75/65/406357565.db2.gz TUGDZGCOEWLNSM-ZDUSSCGKSA-N 0 0 318.450 2.402 10 30 DEEERN CN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1nccs1 ZINC000540930248 406296958 /nfs/dbraw/zinc/29/69/58/406296958.db2.gz ZJTIVXFRSYAAOY-CQSZACIVSA-N 0 0 309.391 2.368 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000488339548 406311032 /nfs/dbraw/zinc/31/10/32/406311032.db2.gz NXAIHXIPQSKWTA-CYBMUJFWSA-N 0 0 323.418 2.167 10 30 DEEERN C=CC[C@H](C)NC(=O)C(=O)Nc1cc(F)cc(OC(F)F)c1 ZINC000635052098 406412128 /nfs/dbraw/zinc/41/21/28/406412128.db2.gz NTTCHDGBTPALIQ-QMMMGPOBSA-N 0 0 316.279 2.446 10 30 DEEERN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cnn2c1CCCC2 ZINC000635097355 406423219 /nfs/dbraw/zinc/42/32/19/406423219.db2.gz IDVIYEGHMHWJIP-GFCCVEGCSA-N 0 0 304.394 2.019 10 30 DEEERN C=CCCC(C)(C)CNC(=O)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000637621188 406368144 /nfs/dbraw/zinc/36/81/44/406368144.db2.gz LDSUHIVFVFTFAV-CQSZACIVSA-N 0 0 322.453 2.178 10 30 DEEERN C=C(CNC(=O)[C@]1(CC(C)C)CCNC1=O)c1ccccc1 ZINC000633073472 406371921 /nfs/dbraw/zinc/37/19/21/406371921.db2.gz WLYMHJGPXHQFIK-SFHVURJKSA-N 0 0 300.402 2.368 10 30 DEEERN C=CCOc1cccc(C[N@H+]2CC[C@](COC)(C(=O)[O-])C2)c1 ZINC000635317793 406499363 /nfs/dbraw/zinc/49/93/63/406499363.db2.gz KOJSHVRXVYERCW-KRWDZBQOSA-N 0 0 305.374 2.175 10 30 DEEERN C[C@@H]1CN(Cc2cccc(CNc3ccncc3C#N)c2)CCO1 ZINC000548153516 406486624 /nfs/dbraw/zinc/48/66/24/406486624.db2.gz NURPNXSVHYYYOZ-OAHLLOKOSA-N 0 0 322.412 2.208 10 30 DEEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1(C)COC1 ZINC000635326134 406500613 /nfs/dbraw/zinc/50/06/13/406500613.db2.gz UZVMUGNWALQOEF-UHFFFAOYSA-N 0 0 316.401 2.382 10 30 DEEERN C=CCn1c([C@@H]2COCCO2)nnc1N1C[C@@H](C)C[C@H]1CC ZINC000571007766 406466092 /nfs/dbraw/zinc/46/60/92/406466092.db2.gz YTNLUGGZBYWFFP-MJBXVCDLSA-N 0 0 306.410 2.177 10 30 DEEERN Cn1nc([C@H]2CCCOC2)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000548727002 406546196 /nfs/dbraw/zinc/54/61/96/406546196.db2.gz NNUKCSSQIWSBAM-HNNXBMFYSA-N 0 0 324.384 2.367 10 30 DEEERN C=C(C)Cn1c(CC)nnc1N(C)Cc1nc([C@H](C)OC)no1 ZINC000572988616 406767860 /nfs/dbraw/zinc/76/78/60/406767860.db2.gz LMXHLJXFYXLYIZ-NSHDSACASA-N 0 0 320.397 2.143 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)CC1(C)CCCCC1 ZINC000573480595 406773577 /nfs/dbraw/zinc/77/35/77/406773577.db2.gz XBAXBETYEVLHGK-KBPBESRZSA-N 0 0 301.452 2.467 10 30 DEEERN C=CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC000573527842 406774348 /nfs/dbraw/zinc/77/43/48/406774348.db2.gz GYGBFSBHGIBUJX-QWHCGFSZSA-N 0 0 324.388 2.100 10 30 DEEERN N#Cc1c(C(F)(F)F)cc(S(N)(=O)=O)cc1C(F)(F)F ZINC000575341383 406806854 /nfs/dbraw/zinc/80/68/54/406806854.db2.gz VNOMCXPMSFRWIC-UHFFFAOYSA-N 0 0 318.198 2.243 10 30 DEEERN CCOC(=O)Cc1cc(C#N)c([N+](=O)[O-])c(OC(F)F)c1 ZINC000575387233 406808108 /nfs/dbraw/zinc/80/81/08/406808108.db2.gz DKUSLXSGHLLBRL-UHFFFAOYSA-N 0 0 300.217 2.173 10 30 DEEERN CCOCc1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1 ZINC000555151685 406834502 /nfs/dbraw/zinc/83/45/02/406834502.db2.gz BVYAIPNUCZPLKR-AWEZNQCLSA-N 0 0 313.405 2.459 10 30 DEEERN CC[C@H](COC)NC(=O)c1ccc(C#CCCO)c(Cl)c1 ZINC000128925828 196004380 /nfs/dbraw/zinc/00/43/80/196004380.db2.gz DELMHIWQVOOAOR-CQSZACIVSA-N 0 0 309.793 2.229 10 30 DEEERN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@H](C)O1 ZINC000129406403 196046111 /nfs/dbraw/zinc/04/61/11/196046111.db2.gz FTGMLXMIVUSTEE-XJKSGUPXSA-N 0 0 302.374 2.101 10 30 DEEERN COC(=O)[C@@H]1CCN(c2ccc(Br)cc2C#N)C1 ZINC000130441810 196084332 /nfs/dbraw/zinc/08/43/32/196084332.db2.gz VFZFPQDLRNTWGL-SECBINFHSA-N 0 0 309.163 2.320 10 30 DEEERN C#CC[C@H](C)NS(=O)(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000130963570 196127917 /nfs/dbraw/zinc/12/79/17/196127917.db2.gz PVRKQNYBAWVOAG-NSHDSACASA-N 0 0 310.375 2.210 10 30 DEEERN Cc1nsc(SCCOc2ccc(C#CCO)cc2)n1 ZINC000130988519 196129377 /nfs/dbraw/zinc/12/93/77/196129377.db2.gz KFUNPAWDKCSRIG-UHFFFAOYSA-N 0 0 306.412 2.361 10 30 DEEERN CCCS(=O)(=O)Nc1ccc(Cl)cc1C#CCCO ZINC000131936343 196211736 /nfs/dbraw/zinc/21/17/36/196211736.db2.gz UWAKZCMAWHCQNT-UHFFFAOYSA-N 0 0 301.795 2.226 10 30 DEEERN CSCC[C@H](C)NC(=O)c1ccc(C#CCCO)c(F)c1 ZINC000132346745 196248471 /nfs/dbraw/zinc/24/84/71/196248471.db2.gz KEDZCILRGAZDOH-LBPRGKRZSA-N 0 0 309.406 2.431 10 30 DEEERN CCS(=O)(=O)CCn1nc(CC(C)C)c(C#N)c1Cl ZINC000132232946 196236877 /nfs/dbraw/zinc/23/68/77/196236877.db2.gz ZDGIXWCFOIFIJP-UHFFFAOYSA-N 0 0 303.815 2.041 10 30 DEEERN N#C[C@H](NC(=O)[C@@H]1COc2ccc(Br)cc21)C1CC1 ZINC000132560267 196265452 /nfs/dbraw/zinc/26/54/52/196265452.db2.gz OVPLOZRFCXALCX-NEPJUHHUSA-N 0 0 321.174 2.343 10 30 DEEERN O=c1cccc(C(F)(F)F)n1Cc1ccc(C#CCO)s1 ZINC000132805774 196284874 /nfs/dbraw/zinc/28/48/74/196284874.db2.gz ZDFLYUXZAWGTFY-UHFFFAOYSA-N 0 0 313.300 2.321 10 30 DEEERN N#Cc1cc(NC[C@H]2CCCS2(=O)=O)nc2ccccc12 ZINC000134028062 196354994 /nfs/dbraw/zinc/35/49/94/196354994.db2.gz ACFFXSAZPRZJMP-GFCCVEGCSA-N 0 0 301.371 2.096 10 30 DEEERN Cc1cnn(CCNC(=O)Nc2ccccc2O[C@H](C)C#N)c1 ZINC000180052286 224892704 /nfs/dbraw/zinc/89/27/04/224892704.db2.gz MJCRVMWKWMFIFB-CYBMUJFWSA-N 0 0 313.361 2.304 10 30 DEEERN COc1cc(C(=O)NC2(C#N)CCCC2)cc([N+](=O)[O-])c1C ZINC000191277186 225107552 /nfs/dbraw/zinc/10/75/52/225107552.db2.gz SOEVFERSNIJLFO-UHFFFAOYSA-N 0 0 303.318 2.478 10 30 DEEERN O=C1C(=O)N(Cc2ccccc2)C(=O)N1CC#Cc1ccccc1 ZINC000191552086 225113462 /nfs/dbraw/zinc/11/34/62/225113462.db2.gz MLLFMYUTLGWFQG-UHFFFAOYSA-N 0 0 318.332 2.029 10 30 DEEERN CCn1cc([N+](=O)[O-])c(C(=O)N(CCC#N)CC(C)(C)C)n1 ZINC000191610332 225113478 /nfs/dbraw/zinc/11/34/78/225113478.db2.gz WLSIEXMPFLNGGH-UHFFFAOYSA-N 0 0 307.354 2.213 10 30 DEEERN N#C[C@@H]1COCCN1C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000192609501 225137805 /nfs/dbraw/zinc/13/78/05/225137805.db2.gz KKTOHEAZUMDVNM-SNVBAGLBSA-N 0 0 316.691 2.219 10 30 DEEERN Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C#N)c2)nn1 ZINC000194973158 225194811 /nfs/dbraw/zinc/19/48/11/225194811.db2.gz PVWFYRSNAPWKDT-UHFFFAOYSA-N 0 0 322.777 2.135 10 30 DEEERN Cn1cc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c(C2CC2)n1 ZINC000329622106 225906337 /nfs/dbraw/zinc/90/63/37/225906337.db2.gz NGCSNNUYVVOTJC-DYVFJYSZSA-N 0 0 318.421 2.470 10 30 DEEERN C[C@@]1(CNC(=O)Nc2ccc3c(c2)OCC(=O)N3)CCOC1 ZINC000329365055 225870785 /nfs/dbraw/zinc/87/07/85/225870785.db2.gz GGIBBBXYUQMDMB-HNNXBMFYSA-N 0 0 305.334 2.420 10 30 DEEERN C[C@@H]1C(=O)NCCCN1C(=O)CCNC(=O)C1CCCCC1 ZINC000329919474 225945200 /nfs/dbraw/zinc/94/52/00/225945200.db2.gz DHYWVMBGYAPWFJ-GFCCVEGCSA-N 0 0 309.410 2.491 10 30 DEEERN N#C[C@H]1CN(C(=O)Nc2ccc(F)c(F)c2F)CCN1C1CC1 ZINC000369218341 227026857 /nfs/dbraw/zinc/02/68/57/227026857.db2.gz HSDGYRVPEODDQE-JTQLQIEISA-N 0 0 324.306 2.308 10 30 DEEERN N#C[C@@H]1CN(C(=O)NCCC2=CCCCC2)CCN1C1CC1 ZINC000369222094 227027764 /nfs/dbraw/zinc/02/77/64/227027764.db2.gz ZFWHWRRGNNXHOU-MRXNPFEDSA-N 0 0 302.422 2.259 10 30 DEEERN N#C[C@@H]1CN(C(=O)NC2CCCCCCC2)CCN1C1CC1 ZINC000369230531 227028065 /nfs/dbraw/zinc/02/80/65/227028065.db2.gz IMXHKWDMUSEXSL-MRXNPFEDSA-N 0 0 304.438 2.481 10 30 DEEERN N#C[C@@H]1CN(C(=O)CCc2cccc(F)c2F)CCN1C1CC1 ZINC000370984769 227061957 /nfs/dbraw/zinc/06/19/57/227061957.db2.gz JEWNMJGSEDCTMB-CQSZACIVSA-N 0 0 319.355 2.096 10 30 DEEERN C[C@H](Cc1cccc(F)c1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000370991623 227062130 /nfs/dbraw/zinc/06/21/30/227062130.db2.gz LFJYVMPYKFVVEY-CXAGYDPISA-N 0 0 315.392 2.203 10 30 DEEERN Cc1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(C)n1C1CC1 ZINC000370994691 227062444 /nfs/dbraw/zinc/06/24/44/227062444.db2.gz VTXXPOISSNNQRW-MRXNPFEDSA-N 0 0 312.417 2.252 10 30 DEEERN Cc1ccc(C(F)(F)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000371599724 227075731 /nfs/dbraw/zinc/07/57/31/227075731.db2.gz YEYAWANLHDMQNQ-HNNXBMFYSA-N 0 0 319.355 2.286 10 30 DEEERN N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1F ZINC000408340664 227232339 /nfs/dbraw/zinc/23/23/39/227232339.db2.gz OYURJYQXTSBLPA-SCZZXKLOSA-N 0 0 302.758 2.450 10 30 DEEERN C=C[C@@H]1CCCCN1C(=O)Nc1nn(C)cc1C(=O)OCC ZINC000488579908 421099057 /nfs/dbraw/zinc/09/90/57/421099057.db2.gz JGBALSCUSFBJSP-LLVKDONJSA-N 0 0 306.366 2.169 10 30 DEEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cc2n(n1)CCCC2 ZINC000635260100 421863111 /nfs/dbraw/zinc/86/31/11/421863111.db2.gz KEIAWIKPPHXZLQ-UHFFFAOYSA-N 0 0 318.421 2.267 10 30 DEEERN C=CCC1(C(=O)NCC(=O)Nc2ccn(C)n2)CCCCC1 ZINC000614044732 422491199 /nfs/dbraw/zinc/49/11/99/422491199.db2.gz GSTDJQHMXZKTDV-UHFFFAOYSA-N 0 0 304.394 2.001 10 30 DEEERN C=CCOc1ccccc1CNc1ccc(-c2cnn(C)c2)nn1 ZINC000361025058 424841223 /nfs/dbraw/zinc/84/12/23/424841223.db2.gz IFRVXZAAYNPSCO-UHFFFAOYSA-N 0 0 321.384 3.054 10 30 DEEERN C[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccnc(C#N)c1 ZINC000193472800 424869133 /nfs/dbraw/zinc/86/91/33/424869133.db2.gz NPGJCLFZMBOVPX-ZDUSSCGKSA-N 0 0 306.369 2.434 10 30 DEEERN N#Cc1ccc(NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)nc1 ZINC000328635490 424901635 /nfs/dbraw/zinc/90/16/35/424901635.db2.gz UVZGJYZSOFCLAK-LLVKDONJSA-N 0 0 321.306 2.843 10 30 DEEERN C=CCNc1ncc(C(=O)Nc2nc3cc(F)ccc3[nH]2)s1 ZINC000429463000 425006733 /nfs/dbraw/zinc/00/67/33/425006733.db2.gz DWARWKMISKGJGY-UHFFFAOYSA-N 0 0 317.349 3.009 10 30 DEEERN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(C)n([C@H](C)C2CC2)n1 ZINC000582888764 424981816 /nfs/dbraw/zinc/98/18/16/424981816.db2.gz IKIVZMFINQZFEC-BNOWGMLFSA-N 0 0 304.394 2.628 10 30 DEEERN N#Cc1cc(S(=O)(=O)NCCCOC(F)F)ccc1Cl ZINC000193965747 267770835 /nfs/dbraw/zinc/77/08/35/267770835.db2.gz PNCFPLSQLLBJAN-UHFFFAOYSA-N 0 0 324.736 2.119 10 30 DEEERN N#Cc1cc(Cl)ccc1N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528215675 268180874 /nfs/dbraw/zinc/18/08/74/268180874.db2.gz FIZTWTMXVPHGEE-OLZOCXBDSA-N 0 0 310.806 2.368 10 30 DEEERN N#Cc1cccc(CC(=O)NCCC(=O)N2CCCCCC2)c1 ZINC000530676198 268274153 /nfs/dbraw/zinc/27/41/53/268274153.db2.gz CFWDIMACLOSGKQ-UHFFFAOYSA-N 0 0 313.401 2.010 10 30 DEEERN CC1(C)Oc2ccsc2[C@@H](Nc2cnc(C#N)cn2)[C@@H]1O ZINC000334056217 269012551 /nfs/dbraw/zinc/01/25/51/269012551.db2.gz VMBCRERKNWCSDG-YPMHNXCESA-N 0 0 302.359 2.095 10 30 DEEERN CC(C)(C)OC(=O)C[C@@H]1CCCN(c2cc(C#N)ncn2)C1 ZINC000517273266 269381793 /nfs/dbraw/zinc/38/17/93/269381793.db2.gz DGQUPRXFGNLMCP-LBPRGKRZSA-N 0 0 302.378 2.296 10 30 DEEERN CN1C(=O)N[C@@H]2CN(c3cc(C#N)ccc3C(F)(F)F)CC[C@@H]21 ZINC000284682584 277017500 /nfs/dbraw/zinc/01/75/00/277017500.db2.gz YEJHDVOYZLBKNU-NEPJUHHUSA-N 0 0 324.306 2.179 10 30 DEEERN C#CCCCCC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000180395403 277671587 /nfs/dbraw/zinc/67/15/87/277671587.db2.gz NILNNFWJYVZFNV-LSDHHAIUSA-N 0 0 305.374 2.124 10 30 DEEERN C#CCCCCC(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000180395386 277671624 /nfs/dbraw/zinc/67/16/24/277671624.db2.gz NILNNFWJYVZFNV-CABCVRRESA-N 0 0 305.374 2.124 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000345541139 277828571 /nfs/dbraw/zinc/82/85/71/277828571.db2.gz GIDNZTBXVHNFAP-GFCCVEGCSA-N 0 0 323.397 2.252 10 30 DEEERN C=CCCCN(C)C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000172555485 277828916 /nfs/dbraw/zinc/82/89/16/277828916.db2.gz RZXKERFTQKTNRG-OAHLLOKOSA-N 0 0 307.438 2.339 10 30 DEEERN C=CCCO[C@H](C)C(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000249826812 277832760 /nfs/dbraw/zinc/83/27/60/277832760.db2.gz QXGJMFSIFCRWGC-QLFBSQMISA-N 0 0 313.463 2.481 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000358179537 277917450 /nfs/dbraw/zinc/91/74/50/277917450.db2.gz GEBGYQNDFAVECG-OIISXLGYSA-N 0 0 311.422 2.012 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000358179534 277917570 /nfs/dbraw/zinc/91/75/70/277917570.db2.gz GEBGYQNDFAVECG-DJIMGWMZSA-N 0 0 311.422 2.012 10 30 DEEERN C[C@H]1OCC[C@H]1S(=O)(=O)Oc1ccc(C#N)cc1Cl ZINC000184317975 278523884 /nfs/dbraw/zinc/52/38/84/278523884.db2.gz ZGWATSCBVJRRPS-PRHODGIISA-N 0 0 301.751 2.098 10 30 DEEERN Cn1cc(C#N)cc1C(=O)NCc1cccc(OCC(F)F)c1 ZINC000081081493 281603503 /nfs/dbraw/zinc/60/35/03/281603503.db2.gz TUKVLSMAIWPGEJ-UHFFFAOYSA-N 0 0 319.311 2.471 10 30 DEEERN O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)[C@H]1CCc2n[nH]nc2C1 ZINC000329024424 295382464 /nfs/dbraw/zinc/38/24/64/295382464.db2.gz NGJRAGBONIFLMW-JGGQBBKZSA-N 0 0 312.373 2.396 10 30 DEEERN C[C@H]1CCc2nc(NC(=O)Cn3cccnc3=O)sc2C1 ZINC000328877678 300090167 /nfs/dbraw/zinc/09/01/67/300090167.db2.gz IRCUCOIBABJJJX-VIFPVBQESA-N 0 0 304.375 2.113 10 30 DEEERN Cn1c2c(nc1[C@H]1CCCN1c1nccc(C#N)n1)CCCC2 ZINC000294954177 302900430 /nfs/dbraw/zinc/90/04/30/302900430.db2.gz KMZTYXXABORSCV-OAHLLOKOSA-N 0 0 308.389 2.302 10 30 DEEERN C=CCCCNS(=O)(=O)c1ccc(OC)c2ncccc12 ZINC000570896400 332837078 /nfs/dbraw/zinc/83/70/78/332837078.db2.gz IMWLVXXDRSARFN-UHFFFAOYSA-N 0 0 306.387 2.488 10 30 DEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](Cc1ccccc1OC)C(C)C ZINC000186382234 332925193 /nfs/dbraw/zinc/92/51/93/332925193.db2.gz VTRLITMZMVIVKX-HOTGVXAUSA-N 0 0 320.433 2.499 10 30 DEEERN C=C[C@@](C)(O)CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558578352 331925940 /nfs/dbraw/zinc/92/59/40/331925940.db2.gz GJAGTHIDRRIJDH-MRXNPFEDSA-N 0 0 317.345 2.062 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1CCC[C@H](C)CC1 ZINC000560352767 332333277 /nfs/dbraw/zinc/33/32/77/332333277.db2.gz HTMDNFBYYQQEHK-LBPRGKRZSA-N 0 0 315.425 2.194 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1C[C@@H](OCC)C12CCC2 ZINC000575118618 332494411 /nfs/dbraw/zinc/49/44/11/332494411.db2.gz DRBSVTVCWNFUBS-BYNSBNAKSA-N 0 0 308.422 2.224 10 30 DEEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)C1CCOCC1 ZINC000562568573 332605617 /nfs/dbraw/zinc/60/56/17/332605617.db2.gz HOZZJNHGUGSBGD-CQSZACIVSA-N 0 0 306.410 2.321 10 30 DEEERN C=CCn1c(-c2nnn(C)c2C)nnc1N1Cc2ccccc2C1 ZINC000562569175 332605913 /nfs/dbraw/zinc/60/59/13/332605913.db2.gz NYBYWDZMRGHNDM-UHFFFAOYSA-N 0 0 321.388 2.088 10 30 DEEERN C=CCn1cc(CNC(=O)N2Cc3ccc(Cl)cc3C2)nn1 ZINC000518761834 332959927 /nfs/dbraw/zinc/95/99/27/332959927.db2.gz POXBAMBMHVOAAD-UHFFFAOYSA-N 0 0 317.780 2.343 10 30 DEEERN C=CCC1(C(=O)NCc2cn3ccsc3n2)CCOCC1 ZINC000562991525 333021096 /nfs/dbraw/zinc/02/10/96/333021096.db2.gz BAEXWTVHCQOWCS-UHFFFAOYSA-N 0 0 305.403 2.385 10 30 DEEERN CC(C)C[C@H](CO)N(C)C(=O)NCc1ccc(OCC#N)cc1 ZINC000185351328 333207362 /nfs/dbraw/zinc/20/73/62/333207362.db2.gz XJGBOEUGVCDYFR-OAHLLOKOSA-N 0 0 319.405 2.137 10 30 DEEERN C=CCn1c(-c2ncccc2C)nnc1N1CC[C@@H](COC)C1 ZINC000563404955 333601363 /nfs/dbraw/zinc/60/13/63/333601363.db2.gz HLXNSYDYBYYGDN-CQSZACIVSA-N 0 0 313.405 2.307 10 30 DEEERN C=CCN(CC=C)C(=O)[C@H](NC(=O)c1ccccn1)C(C)C ZINC000340051864 334118125 /nfs/dbraw/zinc/11/81/25/334118125.db2.gz ROEUZKSPLFWUCS-OAHLLOKOSA-N 0 0 301.390 2.037 10 30 DEEERN C=C(C)C[C@@H](C)c1nc(CCN(C(C)C)S(C)(=O)=O)no1 ZINC000346144450 335381123 /nfs/dbraw/zinc/38/11/23/335381123.db2.gz FNOXHFUHMPURHF-GFCCVEGCSA-N 0 0 315.439 2.352 10 30 DEEERN C[C@@H](Oc1cccc(CO)c1)C(=O)N(CCC#N)CC1CC1 ZINC000162904546 338486870 /nfs/dbraw/zinc/48/68/70/338486870.db2.gz BMBLRNLXDLBSFY-CYBMUJFWSA-N 0 0 302.374 2.098 10 30 DEEERN C=CC[C@@H](CC)NS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000393744969 337093683 /nfs/dbraw/zinc/09/36/83/337093683.db2.gz OELMEPOLSYQRLL-CYBMUJFWSA-N 0 0 311.403 2.035 10 30 DEEERN C=CCn1cc(CNC(=O)N[C@@H](C)[C@H]2CC3CCC2CC3)nn1 ZINC000582789558 337166648 /nfs/dbraw/zinc/16/66/48/337166648.db2.gz FFTLMXKDHPQPAI-WLIAPVHPSA-N 0 0 317.437 2.478 10 30 DEEERN CC#CCCCC(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000185274858 337203825 /nfs/dbraw/zinc/20/38/25/337203825.db2.gz MBLXVRPTRAHFQK-GFCCVEGCSA-N 0 0 305.403 2.266 10 30 DEEERN C=CCN(C(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1)C1CC1 ZINC000583013824 337229083 /nfs/dbraw/zinc/22/90/83/337229083.db2.gz OSABNSHCBAPLDA-HNNXBMFYSA-N 0 0 301.346 2.094 10 30 DEEERN N#CC(c1nccnc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000584628555 337376366 /nfs/dbraw/zinc/37/63/66/337376366.db2.gz NDWJNQCCSNAVAM-JTQLQIEISA-N 0 0 311.725 2.308 10 30 DEEERN CC1(C#N)CCN(C(=O)C(=O)Nc2cccc3ccncc32)CC1 ZINC000572028622 337587255 /nfs/dbraw/zinc/58/72/55/337587255.db2.gz GHNMLVPOVGCBQN-UHFFFAOYSA-N 0 0 322.368 2.326 10 30 DEEERN C=C(C)C[C@H](C)c1nc(-c2ccc(S(N)(=O)=O)cc2)no1 ZINC000510714468 340307712 /nfs/dbraw/zinc/30/77/12/340307712.db2.gz MBINRBOJNNDMST-JTQLQIEISA-N 0 0 307.375 2.454 10 30 DEEERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCC(C#N)CC2)C1 ZINC000175793445 340419998 /nfs/dbraw/zinc/41/99/98/340419998.db2.gz CKRARLFCXWWELQ-KBPBESRZSA-N 0 0 321.421 2.442 10 30 DEEERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)NCCCCC#N ZINC000176387790 340427121 /nfs/dbraw/zinc/42/71/21/340427121.db2.gz PJINUEHVDXCRTN-ZDUSSCGKSA-N 0 0 324.425 2.379 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1C[C@@]1(C)Br ZINC000529246694 340750073 /nfs/dbraw/zinc/75/00/73/340750073.db2.gz MRVJSAVQWRMHEX-HNCHTBHHSA-N 0 0 302.212 2.257 10 30 DEEERN N#CCCCCS(=O)(=O)NCc1ccn(C2CCCC2)n1 ZINC000125724230 340806989 /nfs/dbraw/zinc/80/69/89/340806989.db2.gz XCPZJBMFYBKBNQ-UHFFFAOYSA-N 0 0 310.423 2.111 10 30 DEEERN C=CC[C@@H](CO)NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000545279941 341119085 /nfs/dbraw/zinc/11/90/85/341119085.db2.gz YSQBIZZHESXQLW-ZDUSSCGKSA-N 0 0 319.430 2.024 10 30 DEEERN C=CC[C@@H](CO)NC(=O)c1cnn(-c2ccc(F)cc2F)c1C ZINC000545284126 341119196 /nfs/dbraw/zinc/11/91/96/341119196.db2.gz CXHGNADOBOIALY-LBPRGKRZSA-N 0 0 321.327 2.126 10 30 DEEERN C=CCOc1ccccc1CNC(=O)c1coc(COC)n1 ZINC000547520816 341220141 /nfs/dbraw/zinc/22/01/41/341220141.db2.gz RPYIFULABXDELE-UHFFFAOYSA-N 0 0 302.330 2.316 10 30 DEEERN C=C[C@](C)(CC)C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000134978699 341227735 /nfs/dbraw/zinc/22/77/35/341227735.db2.gz LSTPEIBSLXXLDI-CXAGYDPISA-N 0 0 306.381 2.188 10 30 DEEERN CCC(CC)CN(CCC#N)S(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000135576822 341242211 /nfs/dbraw/zinc/24/22/11/341242211.db2.gz KQMWTMQJSGCWPH-TZMCWYRMSA-N 0 0 302.440 2.145 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000245917222 341318235 /nfs/dbraw/zinc/31/82/35/341318235.db2.gz SAHOPJPFZKEZDO-JYJNAYRXSA-N 0 0 322.449 2.217 10 30 DEEERN C[C@H](C#N)CNC(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000248453080 341378167 /nfs/dbraw/zinc/37/81/67/341378167.db2.gz QHPMGTULHKZUTO-XUJVJEKNSA-N 0 0 305.353 2.457 10 30 DEEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000565403327 341526370 /nfs/dbraw/zinc/52/63/70/341526370.db2.gz WVURKJJSKNWGSD-WQVCFCJDSA-N 0 0 312.373 2.036 10 30 DEEERN C=CCCCCCNC(=O)C(=O)N(C)CCC1CCOCC1 ZINC000566572988 341562176 /nfs/dbraw/zinc/56/21/76/341562176.db2.gz ZSWNUFILZVXVLW-UHFFFAOYSA-N 0 0 310.438 2.124 10 30 DEEERN C=CCCCCCNS(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000575329798 341793191 /nfs/dbraw/zinc/79/31/91/341793191.db2.gz RETYHFCBSRJBMB-UHFFFAOYSA-N 0 0 322.434 2.301 10 30 DEEERN CC(C)(C)OC(=O)N[C@H](CC=O)C(=O)OCc1ccccc1 ZINC000034278086 518838218 /nfs/dbraw/zinc/83/82/18/518838218.db2.gz HCCRSOLUESXFBI-CYBMUJFWSA-N 0 0 307.346 2.212 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1cc(-c2ccsc2)nn1C ZINC000490187009 534404186 /nfs/dbraw/zinc/40/41/86/534404186.db2.gz KGGFEIYMDBQJAE-LLVKDONJSA-N 0 0 306.391 2.207 10 30 DEEERN C=C(CC)CNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000454930382 534411608 /nfs/dbraw/zinc/41/16/08/534411608.db2.gz HZRKXHZCBDJWDK-GDBMZVCRSA-N 0 0 315.417 2.441 10 30 DEEERN C=CCn1c(N(C)CCCCCO)nnc1[C@]1(C)CCCO1 ZINC000453441320 534443327 /nfs/dbraw/zinc/44/33/27/534443327.db2.gz OBTASOKRKXPHDL-INIZCTEOSA-N 0 0 308.426 2.089 10 30 DEEERN N#CCN1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000368034729 534668141 /nfs/dbraw/zinc/66/81/41/534668141.db2.gz KMULTSANQGPEEG-CYBMUJFWSA-N 0 0 301.394 2.241 10 30 DEEERN N#C[C@H]1CN(c2ncncc2Cl)CCN1Cc1ccccc1 ZINC000302691304 534759328 /nfs/dbraw/zinc/75/93/28/534759328.db2.gz ZOGGIRVQTGWYGF-AWEZNQCLSA-N 0 0 313.792 2.344 10 30 DEEERN N#Cc1cc(Br)cnc1NCCCn1cccn1 ZINC000296471884 534768494 /nfs/dbraw/zinc/76/84/94/534768494.db2.gz KASNRSZIQYXRGW-UHFFFAOYSA-N 0 0 306.167 2.414 10 30 DEEERN Cc1csc(C2(NCC(=O)N[C@@](C)(C#N)C3CC3)CCC2)n1 ZINC000265504242 534795214 /nfs/dbraw/zinc/79/52/14/534795214.db2.gz PXEMIHNPVMPJDR-HNNXBMFYSA-N 0 0 318.446 2.229 10 30 DEEERN C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000128860559 526311106 /nfs/dbraw/zinc/31/11/06/526311106.db2.gz HMZHAOFQDDHNEQ-MRXNPFEDSA-N 0 0 315.417 2.048 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1=CCOCC1 ZINC000341640283 526346658 /nfs/dbraw/zinc/34/66/58/526346658.db2.gz NQPYWELMOYZDIW-UHFFFAOYSA-N 0 0 302.330 2.456 10 30 DEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1nncn1C ZINC000411197689 526349144 /nfs/dbraw/zinc/34/91/44/526349144.db2.gz WEQPDEUZRVRHCN-LBPRGKRZSA-N 0 0 301.350 2.473 10 30 DEEERN CC#CCNC(=O)Cc1c(F)ccc(Br)c1F ZINC000337360477 526370890 /nfs/dbraw/zinc/37/08/90/526370890.db2.gz GMMHMLWFRLVEIG-UHFFFAOYSA-N 0 0 302.118 2.409 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](CC)c2c(C)noc2C)C1=O ZINC000341614058 526463640 /nfs/dbraw/zinc/46/36/40/526463640.db2.gz NTPMUIBEBMQBNH-UONOGXRCSA-N 0 0 319.405 2.030 10 30 DEEERN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(F)c2OCC)C1=O ZINC000337083797 526465973 /nfs/dbraw/zinc/46/59/73/526465973.db2.gz YITHQKWSKSQPIF-CQSZACIVSA-N 0 0 320.364 2.083 10 30 DEEERN C=CCN1CC[C@H](N(C)C(=O)Nc2ccc3cnccc3c2)C1=O ZINC000296964482 526494075 /nfs/dbraw/zinc/49/40/75/526494075.db2.gz PZMXQFUTFDTCIR-INIZCTEOSA-N 0 0 324.384 2.485 10 30 DEEERN C=C(C)CN(CC)C(=O)CN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375430929 526525095 /nfs/dbraw/zinc/52/50/95/526525095.db2.gz HAQSARABXKBTBW-AWEZNQCLSA-N 0 0 318.421 2.161 10 30 DEEERN C=CCNC(=O)CNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431460709 526556721 /nfs/dbraw/zinc/55/67/21/526556721.db2.gz YDRSNEBGYHXNNN-HNNXBMFYSA-N 0 0 314.389 2.023 10 30 DEEERN C=CCNC(=O)CNC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000181738637 526564329 /nfs/dbraw/zinc/56/43/29/526564329.db2.gz VPHMYEOZOVXLAB-CQSZACIVSA-N 0 0 302.418 2.407 10 30 DEEERN C=C(C)COCCNC(=O)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000187592859 526638020 /nfs/dbraw/zinc/63/80/20/526638020.db2.gz CCMAYEVQOSIOSV-LSDHHAIUSA-N 0 0 324.446 2.058 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000287733919 526671107 /nfs/dbraw/zinc/67/11/07/526671107.db2.gz HOMDICPJFHCWJK-HNNXBMFYSA-N 0 0 303.402 2.230 10 30 DEEERN C#CCCCC(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000192151213 526682695 /nfs/dbraw/zinc/68/26/95/526682695.db2.gz XXYWYFCKHXJEIH-GJZGRUSLSA-N 0 0 320.458 2.430 10 30 DEEERN C#CCCCC(=O)N[C@@H](c1nccn1C)c1ccc(OC)cc1 ZINC000192100982 526682912 /nfs/dbraw/zinc/68/29/12/526682912.db2.gz MBGHCFHFWWZIIL-QGZVFWFLSA-N 0 0 311.385 2.438 10 30 DEEERN C=CCOCC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337140883 526693157 /nfs/dbraw/zinc/69/31/57/526693157.db2.gz UVDARALWLGKQPM-CQSZACIVSA-N 0 0 303.406 2.128 10 30 DEEERN C=C(C)C[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC ZINC000372003221 526697340 /nfs/dbraw/zinc/69/73/40/526697340.db2.gz MSHTUNFRZGNZOE-CJNGLKHVSA-N 0 0 300.402 2.288 10 30 DEEERN C#CCCCCNC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000152273308 526704413 /nfs/dbraw/zinc/70/44/13/526704413.db2.gz MWXSDFRCPSVCGM-ZDUSSCGKSA-N 0 0 320.824 2.416 10 30 DEEERN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C2CC2)C1 ZINC000338804525 526715786 /nfs/dbraw/zinc/71/57/86/526715786.db2.gz TULXWFXDRDOQOG-HNNXBMFYSA-N 0 0 313.405 2.465 10 30 DEEERN C=C(C)Cn1c(CC(C)C)nnc1N1CCN(C2CC2)CC1 ZINC000338873667 526727323 /nfs/dbraw/zinc/72/73/23/526727323.db2.gz NMHJCJDUFBJLHB-UHFFFAOYSA-N 0 0 303.454 2.337 10 30 DEEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)Cc1ccco1 ZINC000283612336 526736714 /nfs/dbraw/zinc/73/67/14/526736714.db2.gz NCLQBQGFQICKKW-AWEZNQCLSA-N 0 0 318.377 2.172 10 30 DEEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(C)=C(C)C1 ZINC000292984377 526739752 /nfs/dbraw/zinc/73/97/52/526739752.db2.gz NHQSTPRMEFNMPF-OAHLLOKOSA-N 0 0 318.421 2.489 10 30 DEEERN C=CCOCCNC(=O)N1CCCC[C@H]1c1nccn1CC ZINC000369861367 526774650 /nfs/dbraw/zinc/77/46/50/526774650.db2.gz GECPDHYPVFMSBS-AWEZNQCLSA-N 0 0 306.410 2.342 10 30 DEEERN C=CCOCCNC(=O)NC1CC(OCc2ccccc2)C1 ZINC000373332946 526778822 /nfs/dbraw/zinc/77/88/22/526778822.db2.gz JHCVRFHFMFXWRT-UHFFFAOYSA-N 0 0 304.390 2.236 10 30 DEEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000331794357 526779674 /nfs/dbraw/zinc/77/96/74/526779674.db2.gz QQLRSDIPQYSRHP-IFIJOSMWSA-N 0 0 314.385 2.210 10 30 DEEERN C=CCOCCNC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000376842658 526782440 /nfs/dbraw/zinc/78/24/40/526782440.db2.gz MZMUNKSPLBOOIV-CQSZACIVSA-N 0 0 322.792 2.012 10 30 DEEERN C=C(C)[C@H](CC(=O)N1CC[C@H](C(N)=O)c2ccccc21)OCC ZINC000340426070 526809118 /nfs/dbraw/zinc/80/91/18/526809118.db2.gz GHFSXIVNGNFFHJ-HOCLYGCPSA-N 0 0 316.401 2.364 10 30 DEEERN C=CCOc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000371104452 526844209 /nfs/dbraw/zinc/84/42/09/526844209.db2.gz QDHVDLBIKJWSFJ-OKILXGFUSA-N 0 0 303.358 2.263 10 30 DEEERN C=CCOc1ccc(CC(=O)NCc2nnc(CC)o2)cc1 ZINC000412218721 526857886 /nfs/dbraw/zinc/85/78/86/526857886.db2.gz SCRXCDMNGHQTRA-UHFFFAOYSA-N 0 0 301.346 2.056 10 30 DEEERN C=CCOc1ccc(CC(=O)NCc2ncnn2C(C)C)cc1 ZINC000412303909 526858405 /nfs/dbraw/zinc/85/84/05/526858405.db2.gz ZGPPNDATFDCVKQ-UHFFFAOYSA-N 0 0 314.389 2.283 10 30 DEEERN C=C(Cl)CNC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000369488471 526890304 /nfs/dbraw/zinc/89/03/04/526890304.db2.gz SIKLKMBXHMXKAR-SNVBAGLBSA-N 0 0 314.719 2.186 10 30 DEEERN C=C1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1 ZINC000342095005 526896206 /nfs/dbraw/zinc/89/62/06/526896206.db2.gz ONEXWYPZKGSCAV-GFCCVEGCSA-N 0 0 320.339 2.496 10 30 DEEERN C=CCSCCNC(=O)Nc1cccnc1OCCOC ZINC000342038630 526997813 /nfs/dbraw/zinc/99/78/13/526997813.db2.gz UJBCNOKJJMGNFK-UHFFFAOYSA-N 0 0 311.407 2.148 10 30 DEEERN C=CC[C@@H](CC)NC(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC000417490389 527048546 /nfs/dbraw/zinc/04/85/46/527048546.db2.gz REPJYOYEEQRVLI-ABAIWWIYSA-N 0 0 303.362 2.388 10 30 DEEERN C=CCC1(C(=O)Nc2cccc(C(=O)NC)c2)CCOCC1 ZINC000424548829 527060742 /nfs/dbraw/zinc/06/07/42/527060742.db2.gz VCNXPQFVJMXFRC-UHFFFAOYSA-N 0 0 302.374 2.358 10 30 DEEERN C#CCO[C@H](C)C(=O)O[C@@H]1CCc2cc(Br)cnc21 ZINC000295914849 527084918 /nfs/dbraw/zinc/08/49/18/527084918.db2.gz AVOYRPCEDIDLHC-BXKDBHETSA-N 0 0 324.174 2.413 10 30 DEEERN C=CC[C@@H](CO)NC(=O)NCCc1cn(C)c2cc(C)ccc12 ZINC000187786010 527089538 /nfs/dbraw/zinc/08/95/38/527089538.db2.gz BDDIBJWNMQHCRH-HNNXBMFYSA-N 0 0 315.417 2.265 10 30 DEEERN C#CCSCCNC(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000190819831 527146998 /nfs/dbraw/zinc/14/69/98/527146998.db2.gz QTCYUEQCJZCZAK-AWEZNQCLSA-N 0 0 304.415 2.484 10 30 DEEERN C=CC[C@H](CC)NC(=O)[C@H](NC(=O)c1ccccn1)C(C)C ZINC000341644873 527160118 /nfs/dbraw/zinc/16/01/18/527160118.db2.gz GFIYTTDNDQWVBF-DZGCQCFKSA-N 0 0 303.406 2.307 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC([C@H]2CCOC2)C1 ZINC000377252981 527172193 /nfs/dbraw/zinc/17/21/93/527172193.db2.gz XKNOXFWSJCLJME-FUHWJXTLSA-N 0 0 312.413 2.299 10 30 DEEERN C=CC[C@H](CO)CNC(=O)N[C@H]1COc2c1ccc(C)c2C ZINC000341816049 527176270 /nfs/dbraw/zinc/17/62/70/527176270.db2.gz ADRRYIMVGUPVDE-ZFWWWQNUSA-N 0 0 304.390 2.221 10 30 DEEERN C=CCCCN(C)C(=O)C(=O)Nc1cnc(C)nc1C1CC1 ZINC000411256378 527180117 /nfs/dbraw/zinc/18/01/17/527180117.db2.gz LCYPWXPCCAQCCK-UHFFFAOYSA-N 0 0 302.378 2.026 10 30 DEEERN CC(=O)c1cc(C#N)ccc1NC(=O)COCc1cc(C)no1 ZINC000411052934 527183775 /nfs/dbraw/zinc/18/37/75/527183775.db2.gz CLEWCMXIDMAJQX-UHFFFAOYSA-N 0 0 313.313 2.213 10 30 DEEERN C=CCCCN(C)C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000377228828 527185884 /nfs/dbraw/zinc/18/58/84/527185884.db2.gz NWYSBUFBRYJPNW-HNNXBMFYSA-N 0 0 322.453 2.274 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCCc1ccc(F)cc1Cl ZINC000359721853 527196676 /nfs/dbraw/zinc/19/66/76/527196676.db2.gz QRVPYGJLVWUCCS-GFCCVEGCSA-N 0 0 300.761 2.258 10 30 DEEERN C=CC[C@H](CO)NC(=O)NCc1ccc(Br)cc1 ZINC000183356272 527197043 /nfs/dbraw/zinc/19/70/43/527197043.db2.gz HXZZDTRVJIQAIJ-GFCCVEGCSA-N 0 0 313.195 2.185 10 30 DEEERN C=CCCCNC(=O)C(=O)N1CCC(c2ccc(C)nc2)CC1 ZINC000342497871 527201804 /nfs/dbraw/zinc/20/18/04/527201804.db2.gz ALMPYZUGIXQIEA-UHFFFAOYSA-N 0 0 315.417 2.178 10 30 DEEERN C=CC[C@H](CO)NC(=O)Nc1ccnn1Cc1ccc(F)cc1 ZINC000189419479 527204042 /nfs/dbraw/zinc/20/40/42/527204042.db2.gz GTMOXYPJMKHZJA-CQSZACIVSA-N 0 0 318.352 2.129 10 30 DEEERN C=CC[C@H](CO)NC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000184967428 527204252 /nfs/dbraw/zinc/20/42/52/527204252.db2.gz PXSBTACMEGASSX-UONOGXRCSA-N 0 0 306.362 2.217 10 30 DEEERN C=CCCCNC(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000447975818 527222054 /nfs/dbraw/zinc/22/20/54/527222054.db2.gz IDTJFOQXSSVZMF-UHFFFAOYSA-N 0 0 317.433 2.284 10 30 DEEERN C=CCCCNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000447865836 527234745 /nfs/dbraw/zinc/23/47/45/527234745.db2.gz YWZQBJSVFFOVJR-UHFFFAOYSA-N 0 0 324.324 2.267 10 30 DEEERN CC(=O)c1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)[nH]1 ZINC000408071059 527242215 /nfs/dbraw/zinc/24/22/15/527242215.db2.gz OXERVUVFTDPLQL-WBVHZDCISA-N 0 0 315.373 2.285 10 30 DEEERN C=CCc1ccc(OS(=O)(=O)[C@H]2CCO[C@@H]2C)c(OC)c1 ZINC000135497146 527256494 /nfs/dbraw/zinc/25/64/94/527256494.db2.gz BCBUXCOXPIAZEM-ABAIWWIYSA-N 0 0 312.387 2.310 10 30 DEEERN C=CCn1c(-c2ncccc2C)nnc1N(C)CCOCC ZINC000337850612 527281801 /nfs/dbraw/zinc/28/18/01/527281801.db2.gz JFUHRWXJPCLQNM-UHFFFAOYSA-N 0 0 301.394 2.307 10 30 DEEERN C=CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC000337844837 527310650 /nfs/dbraw/zinc/31/06/50/527310650.db2.gz GVCNEQYMPFKZFB-CQSZACIVSA-N 0 0 319.453 2.158 10 30 DEEERN CC(=O)c1cccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 ZINC000369231641 527365456 /nfs/dbraw/zinc/36/54/56/527365456.db2.gz MQMORVBEXWCSCK-MRXNPFEDSA-N 0 0 312.373 2.093 10 30 DEEERN C#Cc1cccc(N(CC)C(=O)C[C@H]2CCOC[C@@H]2OC)c1 ZINC000294484914 527441011 /nfs/dbraw/zinc/44/10/11/527441011.db2.gz GABGAMMROUGHPV-WBVHZDCISA-N 0 0 301.386 2.462 10 30 DEEERN C#Cc1ccccc1CC(=O)N1CCC[C@H](NC(=O)CCC)C1 ZINC000289823473 527460737 /nfs/dbraw/zinc/46/07/37/527460737.db2.gz OPTYOBWYUJJEAT-KRWDZBQOSA-N 0 0 312.413 2.118 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCC(=O)c1ccc(OC)cc1 ZINC000424934489 527492639 /nfs/dbraw/zinc/49/26/39/527492639.db2.gz VLDHBZDOHBZKHL-YOEHRIQHSA-N 0 0 317.385 2.365 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1cccc(OC)c1F ZINC000424924393 527492776 /nfs/dbraw/zinc/49/27/76/527492776.db2.gz MDLOTVSWEZYYBR-KBPBESRZSA-N 0 0 307.365 2.474 10 30 DEEERN CC(C)(C#N)c1ccc(NC(=O)NCC(=O)N2CCCC2)cc1 ZINC000193052152 527495828 /nfs/dbraw/zinc/49/58/28/527495828.db2.gz DYICBQSWULPYGT-UHFFFAOYSA-N 0 0 314.389 2.232 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCN(c2ccccc2)C1 ZINC000424924028 527497000 /nfs/dbraw/zinc/49/70/00/527497000.db2.gz KZJGICNNMKVALK-ZOBUZTSGSA-N 0 0 300.402 2.220 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000424932598 527497458 /nfs/dbraw/zinc/49/74/58/527497458.db2.gz NWNCJEFYXXHZNU-ZFWWWQNUSA-N 0 0 304.346 2.478 10 30 DEEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccccc1Cl ZINC000425181474 527499118 /nfs/dbraw/zinc/49/91/18/527499118.db2.gz WSHILKMTBBUAJK-JQWIXIFHSA-N 0 0 301.795 2.209 10 30 DEEERN C=CCN(C(=O)[C@H]1CCCOC1)c1nc(C(=O)OCC)cs1 ZINC000340540071 527546708 /nfs/dbraw/zinc/54/67/08/527546708.db2.gz AADJPWCCALSOTI-NSHDSACASA-N 0 0 324.402 2.265 10 30 DEEERN C=CCN(C)C(=O)C(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000410802220 527556172 /nfs/dbraw/zinc/55/61/72/527556172.db2.gz OOUNUTSAKGMNQI-SWLSCSKDSA-N 0 0 304.365 2.380 10 30 DEEERN C=C[C@H](CC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccccc1 ZINC000340185347 527577441 /nfs/dbraw/zinc/57/74/41/527577441.db2.gz CBCANGFIBPRNRI-ABFRBSLYSA-N 0 0 312.413 2.472 10 30 DEEERN C=C[C@](C)(CCOC)C(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000434037112 527615455 /nfs/dbraw/zinc/61/54/55/527615455.db2.gz PDVXLYWIOQKVFV-SGMGOOAPSA-N 0 0 323.355 2.377 10 30 DEEERN C=C[C@](C)(O)CC(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000289973908 527629447 /nfs/dbraw/zinc/62/94/47/527629447.db2.gz FXMPBOBAIZAOFT-MJEQTWJJSA-N 0 0 307.365 2.441 10 30 DEEERN C=CCN(CC=C)C(=O)[C@@H](C)SCc1nnnn1C(C)(C)C ZINC000361905485 527631053 /nfs/dbraw/zinc/63/10/53/527631053.db2.gz PEGCGVYCAPQQJG-GFCCVEGCSA-N 0 0 323.466 2.250 10 30 DEEERN CC(C)CC(C)(C)CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000370228926 527677074 /nfs/dbraw/zinc/67/70/74/527677074.db2.gz VJBVFWGOIIDCNB-HNNXBMFYSA-N 0 0 306.454 2.440 10 30 DEEERN CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@]12CCCO2 ZINC000333212453 527924535 /nfs/dbraw/zinc/92/45/35/527924535.db2.gz KGZZBHXVBNHXAR-JGFGOLAASA-N 0 0 321.421 2.095 10 30 DEEERN CC1(CS(=O)(=O)N2CCSC[C@@H]2C#N)CCCCC1 ZINC000408317187 528004747 /nfs/dbraw/zinc/00/47/47/528004747.db2.gz FUPVCFXCMHCBSH-LBPRGKRZSA-N 0 0 302.465 2.228 10 30 DEEERN CCC[C@H](CCO)CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000176157317 528121907 /nfs/dbraw/zinc/12/19/07/528121907.db2.gz KUQOHHQMBVSHCS-ZIAGYGMSSA-N 0 0 304.390 2.240 10 30 DEEERN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1(CC)CCC1 ZINC000194693266 528377435 /nfs/dbraw/zinc/37/74/35/528377435.db2.gz NTFQSPVXOFUQGU-UHFFFAOYSA-N 0 0 315.373 2.344 10 30 DEEERN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000189154707 528613249 /nfs/dbraw/zinc/61/32/49/528613249.db2.gz IYMIBRWBZZXPJN-STQMWFEESA-N 0 0 317.389 2.341 10 30 DEEERN CCC(=O)N[C@@H]1CCCN(C(=O)C[C@H]2CCCCNC2=O)C1 ZINC000329408506 528761161 /nfs/dbraw/zinc/76/11/61/528761161.db2.gz CMVOCEZGXGIQTP-CHWSQXEVSA-N 0 0 309.410 2.491 10 30 DEEERN CC1(C#N)CCN(C(=O)Nc2cnc3c(c2)COCC3)CC1 ZINC000378545424 528838538 /nfs/dbraw/zinc/83/85/38/528838538.db2.gz NVGJCAUFOQFNND-UHFFFAOYSA-N 0 0 300.362 2.312 10 30 DEEERN CC(C)[C@@](C)(C#N)NC(=O)CN1CC2(CCCC2)OC(C)(C)C1 ZINC000190952503 528848196 /nfs/dbraw/zinc/84/81/96/528848196.db2.gz OKMZNETUBAKKOB-QGZVFWFLSA-N 0 0 321.465 2.464 10 30 DEEERN CCc1cc(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)n[nH]1 ZINC000192301778 536152035 /nfs/dbraw/zinc/15/20/35/536152035.db2.gz YXMZLLFBVLZXNY-UHFFFAOYSA-N 0 0 322.332 2.068 10 30 DEEERN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(C#N)c(F)c3)[C@@H]2C1 ZINC000192130264 536699097 /nfs/dbraw/zinc/69/90/97/536699097.db2.gz MDVVGMBETKBYIP-OIISXLGYSA-N 0 0 304.365 2.466 10 30 DEEERN C#CC[C@H](Cc1ccccc1)Nc1nnc(Cl)cc1C(N)=O ZINC000804807319 623250889 /nfs/dbraw/zinc/25/08/89/623250889.db2.gz DZRDMQSQOOMZOL-GFCCVEGCSA-N 0 0 314.776 2.275 10 30 DEEERN C#CC[C@H](Cc1ccccc1)Nc1nc2c(cnn2C)c(=O)[nH]1 ZINC000804810588 623251548 /nfs/dbraw/zinc/25/15/48/623251548.db2.gz WXYCSYTYZIZJGZ-CYBMUJFWSA-N 0 0 307.357 2.115 10 30 DEEERN C#CCCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000289222940 623573734 /nfs/dbraw/zinc/57/37/34/623573734.db2.gz QZNPJTJSBXPTEB-CYBMUJFWSA-N 0 0 323.418 2.217 10 30 DEEERN CC#CCNC(=O)N[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000135508764 624845359 /nfs/dbraw/zinc/84/53/59/624845359.db2.gz RVHJMJBQEKZCKM-QWHCGFSZSA-N 0 0 309.410 2.002 10 30 DEEERN N#Cc1ccccc1/C=C/C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177756731 625084476 /nfs/dbraw/zinc/08/44/76/625084476.db2.gz FIZZULUIGWGTHX-IWAYRVGRSA-N 0 0 306.369 2.459 10 30 DEEERN C=CCCO[C@H](C)C(=O)O[C@@H](CNC(C)=O)c1ccccc1 ZINC000177981854 625115778 /nfs/dbraw/zinc/11/57/78/625115778.db2.gz QEYLXZOZEGLYAE-CJNGLKHVSA-N 0 0 305.374 2.388 10 30 DEEERN C(=Nn1cnnc1-c1ccccc1)c1cnn(-c2ccccc2)n1 ZINC000725856156 625171759 /nfs/dbraw/zinc/17/17/59/625171759.db2.gz MSPOQJASABUNBL-UHFFFAOYSA-N 0 0 315.340 2.408 10 30 DEEERN N#CC1(c2ccc(C(=O)OC[C@H]3CC(=O)N(C4CC4)C3)cc2)CC1 ZINC000180080692 625175318 /nfs/dbraw/zinc/17/53/18/625175318.db2.gz FNETYRZLVIESEK-ZDUSSCGKSA-N 0 0 324.380 2.409 10 30 DEEERN C#CCCCCC(=O)N(C)S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000180739826 625222411 /nfs/dbraw/zinc/22/24/11/625222411.db2.gz CHUNZYQZKCLFTP-UHFFFAOYSA-N 0 0 321.398 2.230 10 30 DEEERN C#CCN(CC)C(=O)N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000733652933 633258415 /nfs/dbraw/zinc/25/84/15/633258415.db2.gz ANXUCNFFUJMPLJ-AWEZNQCLSA-N 0 0 323.437 2.441 10 30 DEEERN C=C(COC(=O)c1ccccc1[S@@](=O)CC)C(=O)OCC ZINC000734026927 633312887 /nfs/dbraw/zinc/31/28/87/633312887.db2.gz FMESETPJSMPWRS-NRFANRHFSA-N 0 0 310.371 2.090 10 30 DEEERN C=C(COC(=O)c1cncn1-c1ccccc1)C(=O)OCC ZINC000734027832 633312915 /nfs/dbraw/zinc/31/29/15/633312915.db2.gz SCVNWZNZYGZCGH-UHFFFAOYSA-N 0 0 300.314 2.148 10 30 DEEERN C=C(COC(=O)c1c(Cl)nc2ccccn21)C(=O)OCC ZINC000734027005 633313233 /nfs/dbraw/zinc/31/32/33/633313233.db2.gz NDVUDXFMBFTXDF-UHFFFAOYSA-N 0 0 308.721 2.264 10 30 DEEERN Cc1cccc(OCCCC(=O)[C@H](C#N)C(=O)N2CCCC2)c1 ZINC000124687719 633408796 /nfs/dbraw/zinc/40/87/96/633408796.db2.gz NUONDKSKWVEKCD-INIZCTEOSA-N 0 0 314.385 2.485 10 30 DEEERN Cc1ccccc1OCCCC(=O)[C@@H](C#N)C(=O)N1CCCC1 ZINC000124792122 633416660 /nfs/dbraw/zinc/41/66/60/633416660.db2.gz MBESDPRIWOXEGN-OAHLLOKOSA-N 0 0 314.385 2.485 10 30 DEEERN C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1cc(C#N)cn1C ZINC000178838157 636371220 /nfs/dbraw/zinc/37/12/20/636371220.db2.gz OKMVYZHTDOLSSH-GXFFZTMASA-N 0 0 303.387 2.200 10 30 DEEERN C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1cc(C#N)cn1C ZINC000178838135 636371242 /nfs/dbraw/zinc/37/12/42/636371242.db2.gz OKMVYZHTDOLSSH-GWCFXTLKSA-N 0 0 303.387 2.200 10 30 DEEERN C=CCn1nnn(CN2Cc3ccccc3C3(CC3)C2)c1=S ZINC000185149113 637590107 /nfs/dbraw/zinc/59/01/07/637590107.db2.gz IGJLAVVUYSKKMR-UHFFFAOYSA-N 0 0 313.430 2.500 10 30 DEEERN C#Cc1cccc(N(CC)CCn2nc3ccccn3c2=O)c1 ZINC000103145789 637607965 /nfs/dbraw/zinc/60/79/65/637607965.db2.gz PGSXTZXFFAOJMW-UHFFFAOYSA-N 0 0 306.369 2.004 10 30 DEEERN C=CCN(Cc1ccccc1F)C(=O)NCC[S@@](=O)CC ZINC000741424341 637980830 /nfs/dbraw/zinc/98/08/30/637980830.db2.gz ZDVCRSPZIUSPBM-NRFANRHFSA-N 0 0 312.410 2.292 10 30 DEEERN c1nc2c(ncnc2N=NCc2c[nH]c(-c3ccccc3)n2)[nH]1 ZINC000741460739 637983498 /nfs/dbraw/zinc/98/34/98/637983498.db2.gz BJTQARAXROSWQR-UHFFFAOYSA-N 0 0 304.317 2.189 10 30 DEEERN C=CCn1nnn(CN(C[C@@H]2CCCO2)C2CCCC2)c1=S ZINC000742167470 638040430 /nfs/dbraw/zinc/04/04/30/638040430.db2.gz VJDHHUJIKHHXHK-AWEZNQCLSA-N 0 0 323.466 2.376 10 30 DEEERN C[C@]1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCc2ccccc2C1 ZINC000742664025 638084695 /nfs/dbraw/zinc/08/46/95/638084695.db2.gz BULLBNJXHCOGQX-QUCCMNQESA-N 0 0 323.440 2.380 10 30 DEEERN C=CCOc1ccc(OC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)cc1 ZINC000742862248 638102390 /nfs/dbraw/zinc/10/23/90/638102390.db2.gz XTSVDQCWRSWAIO-AGUYFDCRSA-N 0 0 316.353 2.399 10 30 DEEERN N#Cc1ccsc1C(=O)OCc1nc(CC(F)(F)F)no1 ZINC000744898871 638257690 /nfs/dbraw/zinc/25/76/90/638257690.db2.gz LVQUJELMAMSKOW-UHFFFAOYSA-N 0 0 317.248 2.465 10 30 DEEERN C#CCCNS(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000746665261 638367282 /nfs/dbraw/zinc/36/72/82/638367282.db2.gz PWDDNLPFLWFRME-UHFFFAOYSA-N 0 0 300.792 2.251 10 30 DEEERN COc1ccc(CNC(=O)c2cn3ccc(C)cc3n2)cc1C#N ZINC000746869799 638382304 /nfs/dbraw/zinc/38/23/04/638382304.db2.gz ZULODVOYODSRJQ-UHFFFAOYSA-N 0 0 320.352 2.453 10 30 DEEERN CC(=O)N[C@H](C(=O)OCC#Cc1ccccc1Cl)C(C)C ZINC000746960156 638392492 /nfs/dbraw/zinc/39/24/92/638392492.db2.gz QLRHYVSITYOCQU-HNNXBMFYSA-N 0 0 307.777 2.395 10 30 DEEERN COC(=O)/C(C)=C\COC(=O)c1cc2ccccc2n1CC#N ZINC000748189764 638525482 /nfs/dbraw/zinc/52/54/82/638525482.db2.gz XCNQWDFHUZCCAS-GHXNOFRVSA-N 0 0 312.325 2.441 10 30 DEEERN N#Cc1cccc(CC(=O)NC[C@@]2(O)CCCc3ccccc32)c1 ZINC000749402418 638644567 /nfs/dbraw/zinc/64/45/67/638644567.db2.gz DPNWMSXTWVJZRI-FQEVSTJZSA-N 0 0 320.392 2.441 10 30 DEEERN N#Cc1cccc(CC(=O)O[C@@H](C(N)=O)c2ccc(F)cc2)c1 ZINC000750430720 638743865 /nfs/dbraw/zinc/74/38/65/638743865.db2.gz NYHBOOJAXADARS-MRXNPFEDSA-N 0 0 312.300 2.010 10 30 DEEERN C=C(COC(=O)c1[nH]c2c(c1C)C(=O)CCC2)C(=O)OCC ZINC000751641347 639101550 /nfs/dbraw/zinc/10/15/50/639101550.db2.gz XUOAZUCKMSRBCM-UHFFFAOYSA-N 0 0 305.330 2.118 10 30 DEEERN C#CCN(CC#C)C(=O)CCN(C(=O)OC(C)(C)C)C(C)C ZINC000752151781 639159485 /nfs/dbraw/zinc/15/94/85/639159485.db2.gz JPDIHPBNUCHKBL-UHFFFAOYSA-N 0 0 306.406 2.117 10 30 DEEERN C=CCNC(=O)[C@H](C)OC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000752355329 639174694 /nfs/dbraw/zinc/17/46/94/639174694.db2.gz QJNUHBNPZNEWRN-IIANPFDCSA-N 0 0 318.329 2.232 10 30 DEEERN C#Cc1ccc(C(=O)N(CCC(=O)OC)Cc2ccccc2)cn1 ZINC000728806122 639421125 /nfs/dbraw/zinc/42/11/25/639421125.db2.gz PGLVXIMIMXWWNT-UHFFFAOYSA-N 0 0 322.364 2.268 10 30 DEEERN C#C[C@H](NS(=O)(=O)c1cccc(C(=O)OC)c1C)C(C)(C)C ZINC000805148822 639848531 /nfs/dbraw/zinc/84/85/31/639848531.db2.gz NOLTWOVRBWEBMX-AWEZNQCLSA-N 0 0 323.414 2.108 10 30 DEEERN C#C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1C)C(C)(C)C ZINC000805148420 639848611 /nfs/dbraw/zinc/84/86/11/639848611.db2.gz BBYVOUGCCLWTOD-CQSZACIVSA-N 0 0 323.414 2.108 10 30 DEEERN C#Cc1ccc(C(=O)OCC(=O)N(CC)Cc2ccccc2)cn1 ZINC000729029741 639949529 /nfs/dbraw/zinc/94/95/29/639949529.db2.gz GJYDUKNCNHOQCI-UHFFFAOYSA-N 0 0 322.364 2.268 10 30 DEEERN COc1ccc(CNC(=O)N[C@@H]2CSC[C@H]2C)cc1C#N ZINC000805223027 640299043 /nfs/dbraw/zinc/29/90/43/640299043.db2.gz UCGYKGRSSKZEPI-ZWNOBZJWSA-N 0 0 305.403 2.118 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)NOC1CCOCC1 ZINC000805307279 640794755 /nfs/dbraw/zinc/79/47/55/640794755.db2.gz SWLFMUPOAVYRNC-OAHLLOKOSA-N 0 0 302.374 2.031 10 30 DEEERN CC(=O)N(C)c1ccc(C(=O)OCCCSCC#N)cc1 ZINC000805539964 642020795 /nfs/dbraw/zinc/02/07/95/642020795.db2.gz DOCJRIYTFCBBER-UHFFFAOYSA-N 0 0 306.387 2.473 10 30 DEEERN COC(=O)c1ccoc1C(=O)OCc1cccc(C#N)c1F ZINC000800265061 645248233 /nfs/dbraw/zinc/24/82/33/645248233.db2.gz QRJQIYPTHYTSOB-UHFFFAOYSA-N 0 0 303.245 2.434 10 30 DEEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@H](CCO)C1CC1 ZINC000800613782 645292365 /nfs/dbraw/zinc/29/23/65/645292365.db2.gz JOHLTTWOHLTJEU-MRXNPFEDSA-N 0 0 316.401 2.021 10 30 DEEERN C=CCn1c(CC2CC2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC000800772913 645303791 /nfs/dbraw/zinc/30/37/91/645303791.db2.gz VQHDBMIERYJAQY-UHFFFAOYSA-N 0 0 314.437 2.403 10 30 DEEERN C=CCCOCC(=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000801129820 645344350 /nfs/dbraw/zinc/34/43/50/645344350.db2.gz GNVZHNYUAFADDK-SFHVURJKSA-N 0 0 303.402 2.132 10 30 DEEERN CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CC[C@H](C)O2)cc1 ZINC000121546790 651003966 /nfs/dbraw/zinc/00/39/66/651003966.db2.gz XGLJPOPYJORBHL-GLQYFDAESA-N 0 0 300.358 2.464 10 30 DEEERN C#CCOc1ccccc1NC(=O)N1CCO[C@@H](C(F)F)C1 ZINC000801723708 645434136 /nfs/dbraw/zinc/43/41/36/645434136.db2.gz YBPAPIXZPYVAPW-CYBMUJFWSA-N 0 0 310.300 2.196 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)OC)cn1 ZINC000803524057 645668634 /nfs/dbraw/zinc/66/86/34/645668634.db2.gz MZFMKTLOSKDSAK-INIZCTEOSA-N 0 0 322.364 2.233 10 30 DEEERN C#CCC(CC#C)C(=O)OC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000803698899 645681569 /nfs/dbraw/zinc/68/15/69/645681569.db2.gz IBTPGLJFWQVUCQ-CQSZACIVSA-N 0 0 319.401 2.449 10 30 DEEERN C#CCC(CC#C)C(=O)OCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000803699396 645681661 /nfs/dbraw/zinc/68/16/61/645681661.db2.gz BCTZMHZHNCJXSN-UHFFFAOYSA-N 0 0 311.337 2.034 10 30 DEEERN C#CCC(CC#C)C(=O)OCc1ccc(C(=O)OC)c(F)c1 ZINC000803698819 645681765 /nfs/dbraw/zinc/68/17/65/645681765.db2.gz FVOVKZDBJSXMQI-UHFFFAOYSA-N 0 0 302.301 2.318 10 30 DEEERN C#CCC(CC#C)C(=O)O[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000803699765 645681825 /nfs/dbraw/zinc/68/18/25/645681825.db2.gz PDNIHFJRKIRXBI-LBPRGKRZSA-N 0 0 309.325 2.399 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCCCC(=O)NC ZINC000804453186 645773179 /nfs/dbraw/zinc/77/31/79/645773179.db2.gz VFCTVHBWXNJZQR-MRXNPFEDSA-N 0 0 300.402 2.044 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CC[C@]1(C)CCC(=O)N1 ZINC000804459200 645774000 /nfs/dbraw/zinc/77/40/00/645774000.db2.gz SCINNGOZYYFHJO-QFBILLFUSA-N 0 0 312.413 2.186 10 30 DEEERN N#Cc1cnccc1N1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000804650173 645800530 /nfs/dbraw/zinc/80/05/30/645800530.db2.gz BXMKCUNCIKJLFB-UHFFFAOYSA-N 0 0 319.290 2.092 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1c(C)ccn(C)c1=O ZINC000806342915 645820475 /nfs/dbraw/zinc/82/04/75/645820475.db2.gz VGLQTBCIFAXIEI-INIZCTEOSA-N 0 0 323.396 2.450 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cncnc1OC ZINC000806349346 645822054 /nfs/dbraw/zinc/82/20/54/645822054.db2.gz GDZGAQWOULZWTB-AWEZNQCLSA-N 0 0 310.357 2.241 10 30 DEEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1nc2ccccn2n1 ZINC000806401668 645826923 /nfs/dbraw/zinc/82/69/23/645826923.db2.gz WZHXBMRSYLQFQL-OAHLLOKOSA-N 0 0 319.368 2.485 10 30 DEEERN C#CCC(CC#C)C(=O)NC[C@@H](C(=O)OC)c1ccc(C)cc1 ZINC000806816866 645875434 /nfs/dbraw/zinc/87/54/34/645875434.db2.gz NTOQEXHDFWIMDY-QGZVFWFLSA-N 0 0 311.381 2.031 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000806848947 645880215 /nfs/dbraw/zinc/88/02/15/645880215.db2.gz ZQTACBVRXUNAPD-OAHLLOKOSA-N 0 0 316.445 2.050 10 30 DEEERN C#CCC(CC#C)C(=O)N1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000807322800 645938872 /nfs/dbraw/zinc/93/88/72/645938872.db2.gz KZAVVNHCRQRWJA-AWEZNQCLSA-N 0 0 301.308 2.219 10 30 DEEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](O)c1ccco1 ZINC000807467028 645954690 /nfs/dbraw/zinc/95/46/90/645954690.db2.gz JUCAOTILTRLDMU-JKSUJKDBSA-N 0 0 312.369 2.247 10 30 DEEERN C=CCCCCNC(=O)C(=O)N[C@H]1CCCc2nc(C)sc21 ZINC000807643450 645973990 /nfs/dbraw/zinc/97/39/90/645973990.db2.gz GNMAAROOWXOSIM-ZDUSSCGKSA-N 0 0 321.446 2.418 10 30 DEEERN C#CCC1(C(=O)NC[C@@H](CO)c2cccnc2)CCCCC1 ZINC000807851495 645997865 /nfs/dbraw/zinc/99/78/65/645997865.db2.gz UMFQVKQHMSKNFV-INIZCTEOSA-N 0 0 300.402 2.248 10 30 DEEERN C=CCc1cc(OC)cc(C[NH+]2CCN(C3CC3)CC2)c1O ZINC000164243511 646425297 /nfs/dbraw/zinc/42/52/97/646425297.db2.gz CCWOWXMYQPZNQR-UHFFFAOYSA-N 0 0 302.418 2.409 10 30 DEEERN C#C[C@H](OC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1)C1CC1 ZINC000152879434 647295417 /nfs/dbraw/zinc/29/54/17/647295417.db2.gz WWASRFIAVMMYDT-VQCVXAJWSA-N 0 0 319.382 2.026 10 30 DEEERN CCCCOc1ccc(C=NOCC(=O)N2CCC2)cc1OC ZINC000731820418 647512161 /nfs/dbraw/zinc/51/21/61/647512161.db2.gz AAOBHSVULVUCKG-UHFFFAOYSA-N 0 0 320.389 2.457 10 30 DEEERN CCCCCCCS(=O)(=O)Cc1nsc(N(C)C)n1 ZINC000180280427 648479601 /nfs/dbraw/zinc/47/96/01/648479601.db2.gz RWPRKCZOEXFOIB-UHFFFAOYSA-N 0 0 305.469 2.489 10 30 DEEERN N#CC1(COC(=O)c2cccc(-n3cccn3)c2)CCOCC1 ZINC000183910006 649196576 /nfs/dbraw/zinc/19/65/76/649196576.db2.gz DKLKYIGLFQQSQK-UHFFFAOYSA-N 0 0 311.341 2.349 10 30 DEEERN C#CCCNC(=O)N[C@H](CC(=O)OCC)c1cccc(OC)c1 ZINC000733355886 649553862 /nfs/dbraw/zinc/55/38/62/649553862.db2.gz FKNWBBCCHKDIQF-OAHLLOKOSA-N 0 0 318.373 2.012 10 30 DEEERN CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H](C)COC)ccc1OC ZINC000113111337 651642966 /nfs/dbraw/zinc/64/29/66/651642966.db2.gz AQTJOLAHSNBLTR-OCCSQVGLSA-N 0 0 320.389 2.275 10 30 DEEERN CCc1ccc(N2C[C@H](C(=O)N[C@@H](C#N)C3CC3)CC2=O)cc1 ZINC000108831878 651722205 /nfs/dbraw/zinc/72/22/05/651722205.db2.gz HYZJZTDSHMHGRZ-ZBFHGGJFSA-N 0 0 311.385 2.020 10 30 DEEERN N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)C(=O)N1CCCC1 ZINC000109184277 651868825 /nfs/dbraw/zinc/86/88/25/651868825.db2.gz DAJLDKARVSEORB-JHJVBQTASA-N 0 0 318.323 2.400 10 30 DEEERN CCOCCCNC(=O)[C@H](C#N)C(=O)[C@H](C)Cc1ccccc1 ZINC000112148752 652677807 /nfs/dbraw/zinc/67/78/07/652677807.db2.gz NIHUQVQVYFGWAL-GDBMZVCRSA-N 0 0 316.401 2.117 10 30 DEEERN C[C@H](NC(=O)c1ccco1)C(=O)[C@H](C#N)c1nc2ccccc2o1 ZINC000041546652 683891574 /nfs/dbraw/zinc/89/15/74/683891574.db2.gz NWBPYCXWEQZRSM-QWRGUYRKSA-N 0 0 323.308 2.416 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000080941657 683986330 /nfs/dbraw/zinc/98/63/30/683986330.db2.gz GMMZLSILGXVZRG-UHFFFAOYSA-N 0 0 308.341 2.041 10 30 DEEERN Cn1cc(C#N)cc1C(=O)Oc1cccc(NC(=O)C2CC2)c1 ZINC000081028621 683986837 /nfs/dbraw/zinc/98/68/37/683986837.db2.gz PEGOWXZOGYBXQX-UHFFFAOYSA-N 0 0 309.325 2.464 10 30 DEEERN Cn1cc(C#N)cc1C(=O)OC[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000083769671 683999079 /nfs/dbraw/zinc/99/90/79/683999079.db2.gz KCOSBDIDBFKXBU-CQSZACIVSA-N 0 0 323.352 2.107 10 30 DEEERN C=CCC[C@H](C)OC(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC000089319433 684021889 /nfs/dbraw/zinc/02/18/89/684021889.db2.gz BMMCCUFCAJCZNM-MOKVOYLWSA-N 0 0 317.451 2.382 10 30 DEEERN CC(C)NC(=O)[C@H](C#N)C(=O)C[C@H]1CCOc2ccccc21 ZINC000118143028 684069829 /nfs/dbraw/zinc/06/98/29/684069829.db2.gz PMWVMHADPYROSM-TZMCWYRMSA-N 0 0 300.358 2.176 10 30 DEEERN COC(=O)c1cc(F)c(C)c(OC(=O)c2cc(C#N)cn2C)c1 ZINC000122004366 684111674 /nfs/dbraw/zinc/11/16/74/684111674.db2.gz YQJVQHUYPAYFLI-UHFFFAOYSA-N 0 0 316.288 2.350 10 30 DEEERN C#CCCCCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000125668718 684147986 /nfs/dbraw/zinc/14/79/86/684147986.db2.gz WSOPUHBVLDOMIK-UHFFFAOYSA-N 0 0 301.346 2.466 10 30 DEEERN C=CCOc1ccc(CN(CCS(C)(=O)=O)C2CC2)cc1 ZINC000131886544 684203327 /nfs/dbraw/zinc/20/33/27/684203327.db2.gz UKGWGCBTEDNXSC-UHFFFAOYSA-N 0 0 309.431 2.260 10 30 DEEERN C#C[C@H](OC(=O)c1sccc1S(=O)(=O)C(F)F)C1CC1 ZINC000134041322 684224914 /nfs/dbraw/zinc/22/49/14/684224914.db2.gz JVCCMQXCBYBGBA-QMMMGPOBSA-N 0 0 320.338 2.313 10 30 DEEERN N#CCOc1cc(F)ccc1NC(=O)NC[C@H]1CCCC[C@H]1O ZINC000135256376 684233761 /nfs/dbraw/zinc/23/37/61/684233761.db2.gz ACTAEQDIWUCKNG-BXUZGUMPSA-N 0 0 321.352 2.401 10 30 DEEERN C=C(C)COCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000136214864 684238130 /nfs/dbraw/zinc/23/81/30/684238130.db2.gz VPUHFJUYMLVGLZ-OAHLLOKOSA-N 0 0 316.401 2.057 10 30 DEEERN Cc1nn(CCC#N)c(C)c1CCC(=O)OC1CCOCC1 ZINC000158410284 684298674 /nfs/dbraw/zinc/29/86/74/684298674.db2.gz JYHCLFBVUJKRQY-UHFFFAOYSA-N 0 0 305.378 2.068 10 30 DEEERN C=C[C@H](C)OC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000187559705 684340719 /nfs/dbraw/zinc/34/07/19/684340719.db2.gz KVKCJPUDYZIMOJ-QMMMGPOBSA-N 0 0 312.251 2.412 10 30 DEEERN CCOc1cnc(C(=O)OCC#Cc2cccc(OC)c2)cn1 ZINC000188918881 684366906 /nfs/dbraw/zinc/36/69/06/684366906.db2.gz ZEKXHMMHCKSUBH-UHFFFAOYSA-N 0 0 312.325 2.092 10 30 DEEERN C#CCN1CCN(C(=O)c2cc(-c3ccc(C)cc3C)n[nH]2)CC1 ZINC000189489399 684381941 /nfs/dbraw/zinc/38/19/41/684381941.db2.gz GDOJCZXMUSOZSO-UHFFFAOYSA-N 0 0 322.412 2.085 10 30 DEEERN COc1ccc(O)c(/C=N/C2CCN(C(=O)C(C)C)CC2)c1 ZINC000192754078 684456633 /nfs/dbraw/zinc/45/66/33/684456633.db2.gz XXGUQADCWNOFKJ-WOJGMQOQSA-N 0 0 304.390 2.467 10 30 DEEERN C=CCOc1ccc(COC(=O)Cn2ccc(C)cc2=O)cc1 ZINC000192909507 684460834 /nfs/dbraw/zinc/46/08/34/684460834.db2.gz KEZAKWMVHSBTNE-UHFFFAOYSA-N 0 0 313.353 2.465 10 30 DEEERN C[C@H](C#N)Oc1ccc(CN2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000245693567 685116392 /nfs/dbraw/zinc/11/63/92/685116392.db2.gz BWNRRXNWBMWGNX-RISCZKNCSA-N 0 0 314.307 2.477 10 30 DEEERN